A0A3Q0KS38_SCHMA Loading...

SAPS-domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KS38, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,222 aa.

						>A0A3Q0KS38_SCHMA|A0A3Q0KS38
MFWESVFGYSEINDLLSRPDLTIKELLNDDDVLQKCREKDPRLINFLSRPDNLDYLIDLVSRTPESFPFNRDLYRYSSLACEILTNDINEILDGIIELTESKIDQPTPNESHTNACNNNNNNNNHILESNQINCLSLPSSFSSPLPSSPMIINDHNLKETNNNDDQSCNNILIVNNNSHIDPYSNIHDNAAAAADTNHLSSSISVINESSIINDHNSQLLNNIDRNNLNELFTSNLKLSSPMLLPTSSSSTITTSNDDDLIKVNNTSTTTRRRIDLLLHFFHYSNQPVNPLSASFVSRLLIHLTLHRGNVIIPYLRSSKGFLDQLFLSLDSCAVADLIIQLSQQETKQQHIIFEWFKTDRLVERLIEKFDPIHSSDAHESAAYCLIELITVLRNYLVNNPPNLDTSDTLMNSMTTVTTTANNIGSSSMSGSPLNSLFDKDEETYKAAENLLNVLESEETMSMLLNRITANEYVEPSILVSCVNVCMALIGKRKPESSFPVGEDGYGGLDFDALIKFSGDISNNLKSILRNNSNPSNDLNSGNHCPTTDNHTSDTVVKSDPFVTASKDSNNNNNTVIDKLHIMKASENLIKTSLPYLDKLHDLLKRFHPQFYNCMPTTHCTLNPPLGRCRLAILQLIASLISLPISTNLSKTIVDIGFMKTSMELFALYPYNTFLHHYVTDIIKSIFKHSGLVNNDNNNNGNNSTNVSDKTTTNLINTTTTSNNTVKLSSNHKDNQLTESLSSSILSAAADSSTNTVPTEPVNSNVIHSTNSSSINELDPDDQCIPPPINKINQHCTEFSKNIIINLIKDHHLIDWCLKLSPLPSLDERPNDGDSPNCLVRLSKDPVKSGYSGHIWQIGNLIVSAMNGPYGEFLKSLIQDLDPKTQNLWSDFVKDLNVINSVEVAETSQSAIEGLNHSDVPFVLAPVTSSNLMQNKLLDLTEKSPSYLFDDVDNDNIHEEYDKNNHEYLAYHPVISASTLVNLQRQSILQNFMDSWLDPDEESEHNDNANSNSIYDQNNNQSEEKDQFKISDDIHIGVPGPLGEMYFNHNSDSDDDYFNSDDNKDDDKDENDELDKSKDNIHSRGYCNSDEDDDDDDDEEDLKSPVQIKQQHSSKQSIINANSSTSVVYNHSNEFTEVSSVTTHNNESSIKINSNGNNLSQVSTTIPTTITTTATHTTNSTISLFTENIEMKLFNGNEEMEQTKHNTSSESIVTLLNANFLKK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.7	Very low	47.2	Very low	195 Å²	195	151.8 Å²	151.8	96%	0.961	76%	0.76	S	S	*	*				0	128.5	0	-67.6	151.4	72.5	0	0	105.7	E4	M1-E4 WeakPolarHBondContact CE-OE1 3.37Å; M1-E4 WeakPolarHBondContact CE-OE2 3.4Å
2	F	45.5	Very low	50	Low	188 Å²	188	139.2 Å²	139.2	83%	0.825	70%	0.697	S	S	*	*			trans	-140.2	8.4	-167.3	-153.1	-95.8	0	0	0	112.8
3	W	43.7	Very low	52.2	Low	224 Å²	224	133.2 Å²	133.2	85%	0.848	67%	0.668	S	S	*	*	S	Bend	trans	-138.2	36.8	-169.1	-68.1	115.7	0	0	0	112
4	E	32.1	Very low	54.4	Low	144 Å²	144	131.8 Å²	131.8	67%	0.673	66%	0.664	S	S	*	*	S	Bend	trans	-122.7	18.5	-166.3	-146.3	168.9	-117.3	0	0	113.5	M1	M1-E4 WeakPolarHBondContact CE-OE1 3.37Å; M1-E4 WeakPolarHBondContact CE-OE2 3.4Å
5	S	35.6	Very low	56.2	Low	119 Å²	119	124.5 Å²	124.5	83%	0.832	63%	0.627	S	S	*	*	S	Bend	trans	-151.8	26.8	-177.4	-73.7	0	0	0	0	117.4
6	V	41.4	Very low	57.8	Low	147 Å²	147	118.2 Å²	118.2	89%	0.891	60%	0.596	S	S	*	*			trans	-134.4	46.5	160.6	-157.2	0	0	0	0	111.7
7	F	42.1	Very low	59.2	Low	186 Å²	186	115.8 Å²	115.8	82%	0.816	59%	0.593	S	S	*	*			trans	-93.8	98.5	158.1	-84.1	-77.3	0	0	0	108.2	Y9	F7-Y9 PolarHBondContact O-N 2.81Å
8	G	51.7	Low	60.6	Low	69 Å²	69	114.3 Å²	114.3	71%	0.711	58%	0.579	S	S	*	*			trans	-57.1	131.9	161.7	0	0	0	0	0	108.9	S10	G8-S10 PolarHBondContact O-N 2.91Å
9	Y	52.5	Low	61.3	Low	222 Å²	222	114.9 Å²	114.9	87%	0.871	59%	0.591	S	S	*	*			trans	-69.4	120.6	177.2	-74.5	-76	0	0	0	109.3	F7 E11	F7-Y9 PolarHBondContact O-N 2.81Å; Y9-E11 PolarHBondContact O-N 3.28Å
10	S	62.5	Low	62.3	Low	47 Å²	47	114 Å²	114	33%	0.329	59%	0.587	S	S	.	*			trans	-51.8	90.8	-179	-163.7	0	0	0	0	113.6	G8 I12 D31	G8-S10 PolarHBondContact O-N 2.91Å; S10-I12 PolarHBondContact O-N 2.5Å; S10-I12 WeakPolarHBondContact OG-CG2 3.31Å; S10-D31 WeakPolarHBondContact CB-OD2 3.47Å; S10-D31 WeakPolarHBondContact OG-CB 3.31Å; S10-D31 PolarHBondContact OG-OD2 3.43Å
11	E	73.7	Confident	63.5	Low	129 Å²	129	109.1 Å²	109.1	60%	0.603	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-6.7	177.7	-68.3	-159	173.8	0	0	112.4	Y9 N13 D14 L15	Y9-E11 PolarHBondContact O-N 3.28Å; E11-N13 PolarHBondContact O-N 3.06Å; E11-D14 WeakPolarHBondContact O-CA 3.45Å; E11-D14 PolarHBondContact O-N 2.86Å; E11-L15 HydrophobicContact CB-CG 4.36Å; E11-L15 PolarHBondContact O-N 2.76Å
12	I	80.1	Confident	65.8	Low	0 Å²	0	103.1 Å²	103.1	0%	0	54%	0.537	C	S	.	.	H	α-helix	trans	-47.7	-32.1	-179.7	-158	164.9	0	0	0	114.4	S10 L16 L26 D29 D31 V32 K35 L43	S10-I12 PolarHBondContact O-N 2.5Å; S10-I12 WeakPolarHBondContact OG-CG2 3.31Å; I12-L16 HydrophobicContact CG1-CD1 4.02Å; I12-L16 HydrophobicContact CG1-CG 4.31Å; I12-L16 WeakPolarHBondContact O-CB 3.41Å; I12-L16 WeakPolarHBondContact O-CD1 3.43Å; I12-L16 WeakPolarHBondContact O-CG 3.01Å; I12-L16 PolarHBondContact O-N 3.26Å; I12-L26 HydrophobicContact CD1-CD1 4.22Å; I12-L26 HydrophobicContact CG1-CD1 4.17Å; I12-D29 WeakPolarHBondContact CA-OD2 3.22Å; I12-D29 WeakPolarHBondContact CB-OD2 3.24Å; I12-D29 PolarHBondContact N-OD2 2.71Å; I12-D31 HydrophobicContact CG2-CB 4.49Å; I12-V32 HydrophobicContact CD1-CB 4.22Å; I12-K35 HydrophobicContact CD1-CB 3.72Å; I12-K35 HydrophobicContact CD1-CG 4.1Å; I12-K35 HydrophobicContact CG2-CD 4.27Å; I12-K35 HydrophobicContact CG2-CG 4.44Å; I12-L43 HydrophobicContact CD1-CD2 4.41Å
13	N	79.6	Confident	67.8	Low	61 Å²	61	94.5 Å²	94.5	33%	0.326	50%	0.499	S	S	.	.	H	α-helix	trans	-70.8	-33	178.3	-69.1	-75.5	0	0	0	113.4	E11 S17 R42	E11-N13 PolarHBondContact O-N 3.06Å; N13-S17 PolarHBondContact O-OG 3.4Å; N13-R42 PolarHBondContact O-NH1 2.78Å; N13-R42 PolarHBondContact OD1-NH2 3.14Å
14	D	81.9	Confident	69.8	Low	114 Å²	114	87.7 Å²	87.7	61%	0.61	48%	0.475	S	S	*	.	H	α-helix	trans	-88.8	-35.9	178.5	-66.9	-33	0	0	0	110.6	E11 S17 R18	E11-D14 WeakPolarHBondContact O-CA 3.45Å; E11-D14 PolarHBondContact O-N 2.86Å; D14-S17 CarbonylContact O-C 3.59Å; D14-S17 WeakPolarHBondContact O-CA 3.33Å; D14-S17 WeakPolarHBondContact O-CB 3.15Å; D14-S17 PolarHBondContact O-N 3.42Å; D14-R18 PolarHBondContact O-N 3.46Å
15	L	82.5	Confident	72.3	Confident	22 Å²	22	83.6 Å²	83.6	12%	0.115	46%	0.456	C	S	.	.	H	α-helix	trans	-56.7	-48.6	166.2	-68.8	178.3	0	0	0	111.4	E11 S17 R18 L21 D29	E11-L15 HydrophobicContact CB-CG 4.36Å; E11-L15 PolarHBondContact O-N 2.76Å; L15-S17 PolarHBondContact O-N 3.16Å; L15-S17 VanDerWaalsContact O-N 3.11Å; L15-R18 WeakPolarHBondContact O-CB 3.36Å; L15-R18 PolarHBondContact O-N 2.93Å; L15-L21 HydrophobicContact CB-CD1 3.99Å; L15-L21 HydrophobicContact CD2-CD1 4.28Å; L15-D29 HydrophobicContact CD1-CB 4.14Å
16	L	81.1	Confident	74.8	Confident	24 Å²	24	77.9 Å²	77.9	13%	0.126	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-8.5	173.9	-72.9	169.9	0	0	0	114.1	I12 L21 R42 L43 F46	I12-L16 HydrophobicContact CG1-CD1 4.02Å; I12-L16 HydrophobicContact CG1-CG 4.31Å; I12-L16 WeakPolarHBondContact O-CB 3.41Å; I12-L16 WeakPolarHBondContact O-CD1 3.43Å; I12-L16 WeakPolarHBondContact O-CG 3.01Å; I12-L16 PolarHBondContact O-N 3.26Å; L16-L21 HydrophobicContact CD2-CD2 4.25Å; L16-R42 HydrophobicContact CB-CB 4.39Å; L16-R42 HydrophobicContact CD1-CB 4.38Å; L16-L43 HydrophobicContact CD1-CB 3.91Å; L16-L43 HydrophobicContact CD2-CB 4.11Å; L16-L43 HydrophobicContact CD2-CD1 4Å; L16-F46 HydrophobicContact CD2-CB 4.48Å
17	S	81.1	Confident	77	Confident	78 Å²	78	70.9 Å²	70.9	55%	0.545	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-9.1	173.3	-58.2	0	0	0	0	112.7	N13 D14 L15	N13-S17 PolarHBondContact O-OG 3.4Å; D14-S17 CarbonylContact O-C 3.59Å; D14-S17 WeakPolarHBondContact O-CA 3.33Å; D14-S17 WeakPolarHBondContact O-CB 3.15Å; D14-S17 PolarHBondContact O-N 3.42Å; L15-S17 PolarHBondContact O-N 3.16Å; L15-S17 VanDerWaalsContact O-N 3.11Å
18	R	84.2	Confident	79.2	Confident	89 Å²	89	66 Å²	66	34%	0.336	36%	0.356	S	S	.	.			trans	-80.9	127	174.2	-77.7	176.3	59	-154	-7.9	111.3	D14 L15 D20 L21 E25	D14-R18 PolarHBondContact O-N 3.46Å; L15-R18 WeakPolarHBondContact O-CB 3.36Å; L15-R18 PolarHBondContact O-N 2.93Å; R18-D20 WeakPolarHBondContact CB-OD1 3.42Å; R18-D20 IonicContact CZ-OD2 2.98Å; R18-D20 IonicContact NE-OD1 2.69Å; R18-D20 IonicContact NE-OD2 3.9Å; R18-D20 PolarHBondContact NE-OD2 3.01Å; R18-D20 IonicContact NH2-OD2 2.71Å; R18-D20 PolarHBondContact NH2-OD2 3.02Å; R18-D20 PolarHBondContact O-N 3.24Å; R18-L21 HydrophobicContact CB-CB 4.5Å; R18-E25 IonicContact CZ-OE1 3.13Å; R18-E25 IonicContact NH1-OE1 2.72Å; R18-E25 PolarHBondContact NH1-OE1 3.14Å; R18-E25 IonicContact NH2-OE1 2.75Å; R18-E25 PolarHBondContact NH2-OE1 3.05Å; R18-E25 IonicContact NH2-OE2 3.96Å
19	P	74.2	Confident	80.9	Confident	126 Å²	126	63.6 Å²	63.6	82%	0.818	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-16	178.9	32.2	-36.7	0	0	0	113.4
20	D	82.3	Confident	82.4	Confident	96 Å²	96	59.4 Å²	59.4	51%	0.513	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	1.3	-176.1	58.3	-59.2	0	0	0	113.9	R18 T22	R18-D20 WeakPolarHBondContact CB-OD1 3.42Å; R18-D20 IonicContact CZ-OD2 2.98Å; R18-D20 IonicContact NE-OD1 2.69Å; R18-D20 IonicContact NE-OD2 3.9Å; R18-D20 PolarHBondContact NE-OD2 3.01Å; R18-D20 IonicContact NH2-OD2 2.71Å; R18-D20 PolarHBondContact NH2-OD2 3.02Å; R18-D20 PolarHBondContact O-N 3.24Å; D20-T22 PolarHBondContact O-N 2.83Å
21	L	86.2	Confident	83.5	Confident	12 Å²	12	60.1 Å²	60.1	6%	0.063	32%	0.32	C	S	.	.			trans	-49.7	127.7	-177.6	-179.6	67.2	0	0	0	112.7	L15 L16 R18 E25 L26 F46	L15-L21 HydrophobicContact CB-CD1 3.99Å; L15-L21 HydrophobicContact CD2-CD1 4.28Å; L16-L21 HydrophobicContact CD2-CD2 4.25Å; R18-L21 HydrophobicContact CB-CB 4.5Å; L21-E25 HydrophobicContact CD1-CB 3.98Å; L21-L26 HydrophobicContact CD1-CB 4.41Å; L21-L26 HydrophobicContact CD2-CB 4.42Å; L21-L26 HydrophobicContact CD2-CD1 4.47Å; L21-L26 HydrophobicContact CD2-CD2 4.4Å; L21-F46 HydrophobicContact CB-CE2 3.99Å; L21-F46 HydrophobicContact CB-CZ 4.23Å; L21-F46 HydrophobicContact CD2-CD1 4.36Å; L21-F46 HydrophobicContact CD2-CD2 4.22Å; L21-F46 HydrophobicContact CD2-CE1 4.13Å; L21-F46 HydrophobicContact CD2-CE2 3.98Å; L21-F46 HydrophobicContact CD2-CG 4.4Å; L21-F46 HydrophobicContact CD2-CZ 3.93Å; L21-F46 HydrophobicContact CG-CE1 4.43Å; L21-F46 HydrophobicContact CG-CE2 4.08Å; L21-F46 HydrophobicContact CG-CZ 3.88Å; L21-F46 VanDerWaalsContact O-CE2 3.31Å; L21-F46 WeakPolarHBondContact O-CE2 3.07Å; L21-F46 VanDerWaalsContact O-CZ 3.24Å; L21-F46 WeakPolarHBondContact O-CZ 3.25Å
22	T	87.2	Confident	84.2	Confident	68 Å²	68	54 Å²	54	42%	0.417	29%	0.292	S	S	.	.			trans	-96.3	157	171	68.7	0	0	0	0	111.8	D20 K24 E25 L26	D20-T22 PolarHBondContact O-N 2.83Å; T22-K24 VanDerWaalsContact C-N 3.25Å; T22-K24 PolarHBondContact O-N 2.85Å; T22-E25 VanDerWaalsContact CB-OE2 3.32Å; T22-E25 WeakPolarHBondContact CB-OE2 3.3Å; T22-E25 WeakPolarHBondContact CG2-OE2 3.46Å; T22-E25 PolarHBondContact N-OE2 2.94Å; T22-E25 PolarHBondContact O-N 3.36Å; T22-E25 WeakPolarHBondContact OG1-CG 3.41Å; T22-E25 PolarHBondContact OG1-N 2.73Å; T22-E25 PolarHBondContact OG1-OE2 3.3Å; T22-L26 PolarHBondContact O-N 3.38Å
23	I	88.2	Confident	84.6	Confident	8 Å²	8	55.2 Å²	55.2	4%	0.041	30%	0.298	C	S	.	.	H	α-helix	trans	-61.1	-34.9	171.9	-73.3	172.4	0	0	0	111.6	E25 L26 L27 F46 N52 Y55 L56	I23-E25 PolarHBondContact O-N 3.35Å; I23-L26 CarbonylContact O-C 3.1Å; I23-L26 PolarHBondContact O-N 3.42Å; I23-L26 VanDerWaalsContact O-N 3.16Å; I23-L27 HydrophobicContact CG2-CD1 3.55Å; I23-L27 HydrophobicContact CG2-CD2 4.45Å; I23-L27 HydrophobicContact CG2-CG 3.67Å; I23-L27 WeakPolarHBondContact O-CG 3.49Å; I23-L27 PolarHBondContact O-N 2.64Å; I23-F46 HydrophobicContact CG1-CE1 4.02Å; I23-F46 HydrophobicContact CG1-CZ 4.5Å; I23-N52 VanDerWaalsContact CD1-CA 3.47Å; I23-N52 HydrophobicContact CD1-CB 3.6Å; I23-N52 VanDerWaalsContact CD1-O 3.32Å; I23-N52 WeakPolarHBondContact CD1-O 3.04Å; I23-N52 WeakPolarHBondContact CD1-OD1 3.4Å; I23-N52 HydrophobicContact CG1-CB 4.38Å; I23-Y55 HydrophobicContact CB-CD1 3.86Å; I23-Y55 HydrophobicContact CB-CE1 3.96Å; I23-Y55 HydrophobicContact CD1-CD1 3.68Å; I23-Y55 HydrophobicContact CD1-CG 4.29Å; I23-Y55 HydrophobicContact CG1-CD1 4.38Å; I23-Y55 HydrophobicContact CG2-CD1 3.7Å; I23-Y55 HydrophobicContact CG2-CE1 3.64Å; I23-L56 HydrophobicContact CD1-CD2 4.4Å; I23-L56 HydrophobicContact CD1-CG 4.11Å; I23-L56 HydrophobicContact CG2-CD2 3.99Å
24	K	85.1	Confident	84.9	Confident	80 Å²	80	55.7 Å²	55.7	35%	0.348	30%	0.298	S	S	.	.	H	α-helix	trans	-63.6	-42.8	-179.4	-74	-165.2	172.7	-165.8	0	112.5	T22 L26 L27 N28 Y55	T22-K24 VanDerWaalsContact C-N 3.25Å; T22-K24 PolarHBondContact O-N 2.85Å; K24-L26 VanDerWaalsContact C-N 3.32Å; K24-L27 PolarHBondContact O-N 2.76Å; K24-N28 VanDerWaalsContact O-CG 3.27Å; K24-N28 PolarHBondContact O-N 2.74Å; K24-N28 PolarHBondContact O-ND2 2.86Å; K24-Y55 WeakPolarHBondContact CE-OH 3.46Å; K24-Y55 WeakPolarHBondContact CG-OH 3.32Å
25	E	85.3	Confident	85	Confident	58 Å²	58	52.1 Å²	52.1	27%	0.271	28%	0.277	S	S	.	.	H	α-helix	trans	-60.8	-43.7	172.1	-69.2	160.7	115.3	0	0	110.9	R18 L21 T22 I23 L27 N28	R18-E25 IonicContact CZ-OE1 3.13Å; R18-E25 IonicContact NH1-OE1 2.72Å; R18-E25 PolarHBondContact NH1-OE1 3.14Å; R18-E25 IonicContact NH2-OE1 2.75Å; R18-E25 PolarHBondContact NH2-OE1 3.05Å; R18-E25 IonicContact NH2-OE2 3.96Å; L21-E25 HydrophobicContact CD1-CB 3.98Å; T22-E25 VanDerWaalsContact CB-OE2 3.32Å; T22-E25 WeakPolarHBondContact CB-OE2 3.3Å; T22-E25 WeakPolarHBondContact CG2-OE2 3.46Å; T22-E25 PolarHBondContact N-OE2 2.94Å; T22-E25 PolarHBondContact O-N 3.36Å; T22-E25 WeakPolarHBondContact OG1-CG 3.41Å; T22-E25 PolarHBondContact OG1-N 2.73Å; T22-E25 PolarHBondContact OG1-OE2 3.3Å; I23-E25 PolarHBondContact O-N 3.35Å; E25-L27 PolarHBondContact O-N 3.36Å; E25-N28 PolarHBondContact O-N 3.46Å
26	L	88.5	Confident	85.2	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-68.5	-30.8	-179.5	-177.6	61.5	0	0	0	114.2	I12 L21 T22 I23 K24 N28 V32 L43 F46 L47	I12-L26 HydrophobicContact CD1-CD1 4.22Å; I12-L26 HydrophobicContact CG1-CD1 4.17Å; L21-L26 HydrophobicContact CD1-CB 4.41Å; L21-L26 HydrophobicContact CD2-CB 4.42Å; L21-L26 HydrophobicContact CD2-CD1 4.47Å; L21-L26 HydrophobicContact CD2-CD2 4.4Å; T22-L26 PolarHBondContact O-N 3.38Å; I23-L26 CarbonylContact O-C 3.1Å; I23-L26 PolarHBondContact O-N 3.42Å; I23-L26 VanDerWaalsContact O-N 3.16Å; K24-L26 VanDerWaalsContact C-N 3.32Å; L26-N28 VanDerWaalsContact C-N 3.32Å; L26-V32 HydrophobicContact CD1-CG2 3.91Å; L26-V32 HydrophobicContact CG-CG2 3.87Å; L26-V32 WeakPolarHBondContact O-CB 3.44Å; L26-V32 WeakPolarHBondContact O-CG2 3.48Å; L26-L43 HydrophobicContact CD1-CD1 3.91Å; L26-L43 HydrophobicContact CD2-CD1 3.71Å; L26-L43 HydrophobicContact CG-CD1 4.3Å; L26-F46 HydrophobicContact CD2-CD1 3.52Å; L26-F46 HydrophobicContact CD2-CE1 3.52Å; L26-L47 HydrophobicContact CD2-CD2 3.92Å
27	L	88	Confident	85.5	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-83.1	-8.1	175.6	-63.8	-178.5	0	0	0	113.5	I23 K24 E25 L56 L59 Y76 L79 I83	I23-L27 HydrophobicContact CG2-CD1 3.55Å; I23-L27 HydrophobicContact CG2-CD2 4.45Å; I23-L27 HydrophobicContact CG2-CG 3.67Å; I23-L27 WeakPolarHBondContact O-CG 3.49Å; I23-L27 PolarHBondContact O-N 2.64Å; K24-L27 PolarHBondContact O-N 2.76Å; E25-L27 PolarHBondContact O-N 3.36Å; L27-L56 HydrophobicContact CD1-CD2 4.43Å; L27-L59 HydrophobicContact CD1-CD1 3.83Å; L27-Y76 HydrophobicContact CB-CD1 3.63Å; L27-Y76 HydrophobicContact CB-CE1 3.84Å; L27-Y76 HydrophobicContact CD1-CD1 3.81Å; L27-Y76 HydrophobicContact CD1-CG 4.29Å; L27-Y76 HydrophobicContact CG-CD1 4.39Å; L27-L79 HydrophobicContact CD2-CB 4.18Å; L27-L79 WeakPolarHBondContact O-CD1 3.1Å; L27-I83 HydrophobicContact CD2-CD1 3.46Å; L27-I83 VanDerWaalsContact CD2-CD1 3.46Å
28	N	87	Confident	85.8	Confident	82 Å²	82	57.6 Å²	57.6	44%	0.439	29%	0.287	S	S	.	.	H	α-helix	trans	-88.4	-15.3	171.5	-73.2	-10.8	0	0	0	112.5	K24 E25 L26 Y76	K24-N28 VanDerWaalsContact O-CG 3.27Å; K24-N28 PolarHBondContact O-N 2.74Å; K24-N28 PolarHBondContact O-ND2 2.86Å; E25-N28 PolarHBondContact O-N 3.46Å; L26-N28 VanDerWaalsContact C-N 3.32Å; N28-Y76 VanDerWaalsContact OD1-CE1 3.22Å; N28-Y76 WeakPolarHBondContact OD1-CE1 3.42Å; N28-Y76 PolarHBondContact OD1-OH 3.01Å
29	D	88	Confident	85.8	Confident	19 Å²	19	58 Å²	58	10%	0.102	29%	0.291	C	S	.	.	S	Bend	trans	-80.4	120.3	175	-174.8	-66.6	0	0	0	110	I12 L15 D31 V32	I12-D29 WeakPolarHBondContact CA-OD2 3.22Å; I12-D29 WeakPolarHBondContact CB-OD2 3.24Å; I12-D29 PolarHBondContact N-OD2 2.71Å; L15-D29 HydrophobicContact CD1-CB 4.14Å; D29-D31 PolarHBondContact O-N 3.49Å; D29-D31 WeakPolarHBondContact OD1-CB 3.37Å; D29-D31 PolarHBondContact OD1-N 3.48Å; D29-V32 WeakPolarHBondContact O-CB 3.36Å; D29-V32 WeakPolarHBondContact O-CG1 3.18Å; D29-V32 PolarHBondContact O-N 3.2Å; D29-V32 VanDerWaalsContact O-N 3.16Å
30	D	83.6	Confident	86.4	Confident	135 Å²	135	52.9 Å²	52.9	72%	0.722	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-19.2	-171.9	-58.2	-51.9	0	0	0	113.3	V32 R75	D30-V32 VanDerWaalsContact C-N 3.33Å; D30-R75 IonicContact OD1-CZ 2.73Å; D30-R75 IonicContact OD1-NH2 3.58Å; D30-R75 PolarHBondContact OD1-NH2 3.01Å
31	D	86.4	Confident	86.7	Confident	61 Å²	61	52.5 Å²	52.5	33%	0.326	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-4.5	174.7	-92.5	-47.7	0	0	0	113.2	S10 I12 D29 L33 Q34 K35	S10-D31 WeakPolarHBondContact CB-OD2 3.47Å; S10-D31 WeakPolarHBondContact OG-CB 3.31Å; S10-D31 PolarHBondContact OG-OD2 3.43Å; I12-D31 HydrophobicContact CG2-CB 4.49Å; D29-D31 PolarHBondContact O-N 3.49Å; D29-D31 WeakPolarHBondContact OD1-CB 3.37Å; D29-D31 PolarHBondContact OD1-N 3.48Å; D31-L33 VanDerWaalsContact C-N 3.26Å; D31-L33 PolarHBondContact O-N 3.47Å; D31-L33 VanDerWaalsContact O-N 3.16Å; D31-Q34 CarbonylContact O-C 3.54Å; D31-Q34 PolarHBondContact O-N 3.17Å; D31-K35 WeakPolarHBondContact O-CB 3.39Å; D31-K35 PolarHBondContact O-N 3.28Å
32	V	88.7	Confident	86.8	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-54	-40.7	-176.5	71.1	0	0	0	0	113.2	I12 L26 D29 D30 C36 L79 I83	I12-V32 HydrophobicContact CD1-CB 4.22Å; L26-V32 HydrophobicContact CD1-CG2 3.91Å; L26-V32 HydrophobicContact CG-CG2 3.87Å; L26-V32 WeakPolarHBondContact O-CB 3.44Å; L26-V32 WeakPolarHBondContact O-CG2 3.48Å; D29-V32 WeakPolarHBondContact O-CB 3.36Å; D29-V32 WeakPolarHBondContact O-CG1 3.18Å; D29-V32 PolarHBondContact O-N 3.2Å; D29-V32 VanDerWaalsContact O-N 3.16Å; D30-V32 VanDerWaalsContact C-N 3.33Å; V32-C36 WeakPolarHBondContact O-CB 3.4Å; V32-C36 PolarHBondContact O-N 3.28Å; V32-C36 PolarHBondContact O-SG 2.95Å; V32-L79 HydrophobicContact CG1-CD2 4.03Å; V32-I83 HydrophobicContact CG2-CD1 4.15Å
33	L	86.7	Confident	86.9	Confident	26 Å²	26	53.1 Å²	53.1	14%	0.136	25%	0.254	C	S	.	.	H	α-helix	trans	-70.4	-42.1	176.6	-70.9	176	0	0	0	111.9	D31 C36 R37 L79 E82 I83	D31-L33 VanDerWaalsContact C-N 3.26Å; D31-L33 PolarHBondContact O-N 3.47Å; D31-L33 VanDerWaalsContact O-N 3.16Å; L33-C36 PolarHBondContact O-N 3.01Å; L33-R37 VanDerWaalsContact O-CG 3.3Å; L33-R37 WeakPolarHBondContact O-CG 3.32Å; L33-R37 PolarHBondContact O-N 3.36Å; L33-L79 HydrophobicContact CD1-CD2 3.59Å; L33-L79 HydrophobicContact CD2-CD2 4.01Å; L33-L79 HydrophobicContact CG-CD2 3.6Å; L33-E82 WeakPolarHBondContact CD1-OE2 3.43Å; L33-E82 HydrophobicContact CD2-CB 3.81Å; L33-I83 HydrophobicContact CD2-CG1 3.88Å
34	Q	86.4	Confident	87	Confident	70 Å²	70	53.3 Å²	53.3	33%	0.327	26%	0.255	S	S	.	.	H	α-helix	trans	-63.5	-43.5	178.1	177.3	54.6	23.1	0	0	110.9	D31 C36 R37 E38	D31-Q34 CarbonylContact O-C 3.54Å; D31-Q34 PolarHBondContact O-N 3.17Å; Q34-C36 VanDerWaalsContact C-N 3.34Å; Q34-C36 PolarHBondContact O-N 3.19Å; Q34-R37 WeakPolarHBondContact O-CB 3.39Å; Q34-R37 PolarHBondContact O-N 3.33Å; Q34-R37 VanDerWaalsContact O-N 3.14Å; Q34-E38 PolarHBondContact NE2-OE1 2.81Å; Q34-E38 WeakPolarHBondContact O-CG 3.38Å; Q34-E38 PolarHBondContact O-N 2.92Å
35	K	85.1	Confident	87.1	Confident	39 Å²	39	55.2 Å²	55.2	17%	0.17	27%	0.269	C	S	.	.	H	α-helix	trans	-69.6	-29.5	177.7	-149.2	77.4	-160.2	159.8	0	113.2	I12 D31 E38 K39 D40 L43	I12-K35 HydrophobicContact CD1-CB 3.72Å; I12-K35 HydrophobicContact CD1-CG 4.1Å; I12-K35 HydrophobicContact CG2-CD 4.27Å; I12-K35 HydrophobicContact CG2-CG 4.44Å; D31-K35 WeakPolarHBondContact O-CB 3.39Å; D31-K35 PolarHBondContact O-N 3.28Å; K35-E38 IonicContact NZ-OE2 3.91Å; K35-E38 PolarHBondContact NZ-OE2 2.99Å; K35-K39 PolarHBondContact O-N 3.26Å; K35-D40 VanDerWaalsContact CE-OD2 3.3Å; K35-D40 WeakPolarHBondContact CE-OD2 3.49Å; K35-D40 HydrophobicContact CG-CB 3.88Å; K35-D40 PolarHBondContact O-N 3.48Å; K35-L43 HydrophobicContact CB-CD2 3.58Å; K35-L43 HydrophobicContact CG-CD2 3.91Å
36	C	86.6	Confident	87.4	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.5	-43.7	167.1	-72.6	0	0	0	0	112	V32 L33 Q34 E38 K39 N86 I88	V32-C36 WeakPolarHBondContact O-CB 3.4Å; V32-C36 PolarHBondContact O-N 3.28Å; V32-C36 PolarHBondContact O-SG 2.95Å; L33-C36 PolarHBondContact O-N 3.01Å; Q34-C36 VanDerWaalsContact C-N 3.34Å; Q34-C36 PolarHBondContact O-N 3.19Å; C36-E38 VanDerWaalsContact C-N 3.31Å; C36-E38 PolarHBondContact O-N 2.86Å; C36-K39 WeakPolarHBondContact O-CA 3.45Å; C36-K39 WeakPolarHBondContact O-CG 3.03Å; C36-K39 PolarHBondContact O-N 3.11Å; C36-N86 VanDerWaalsContact CB-ND2 3.26Å; C36-N86 WeakPolarHBondContact CB-ND2 3.45Å; C36-I88 HydrophobicContact CB-CD1 4.15Å
37	R	86.1	Confident	87.4	Confident	138 Å²	138	53.6 Å²	53.6	52%	0.521	26%	0.261	S	S	.	.	H	α-helix	trans	-62.8	-36.8	176.1	-65.6	165.2	-164.9	155.9	1.7	112.1	L33 Q34 K39	L33-R37 VanDerWaalsContact O-CG 3.3Å; L33-R37 WeakPolarHBondContact O-CG 3.32Å; L33-R37 PolarHBondContact O-N 3.36Å; Q34-R37 WeakPolarHBondContact O-CB 3.39Å; Q34-R37 PolarHBondContact O-N 3.33Å; Q34-R37 VanDerWaalsContact O-N 3.14Å; R37-K39 PolarHBondContact O-N 2.89Å
38	E	87.4	Confident	87.5	Confident	102 Å²	102	55 Å²	55	48%	0.477	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-12.5	173	-73	174.9	-162.4	0	0	113.9	Q34 K35 C36	Q34-E38 PolarHBondContact NE2-OE1 2.81Å; Q34-E38 WeakPolarHBondContact O-CG 3.38Å; Q34-E38 PolarHBondContact O-N 2.92Å; K35-E38 IonicContact NZ-OE2 3.91Å; K35-E38 PolarHBondContact NZ-OE2 2.99Å; C36-E38 VanDerWaalsContact C-N 3.31Å; C36-E38 PolarHBondContact O-N 2.86Å
39	K	84.8	Confident	87.6	Confident	96 Å²	96	56.3 Å²	56.3	42%	0.417	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	47.5	-179.9	-56.2	-165.2	-176.7	-167	0	113.5	K35 C36 R37 P41 I44 D87	K35-K39 PolarHBondContact O-N 3.26Å; C36-K39 WeakPolarHBondContact O-CA 3.45Å; C36-K39 WeakPolarHBondContact O-CG 3.03Å; C36-K39 PolarHBondContact O-N 3.11Å; R37-K39 PolarHBondContact O-N 2.89Å; K39-P41 WeakPolarHBondContact O-CD 3.42Å; K39-I44 HydrophobicContact CB-CD1 3.66Å; K39-I44 HydrophobicContact CG-CD1 4.23Å; K39-D87 PolarHBondContact NZ-O 3.14Å
40	D	87.8	Confident	87.6	Confident	19 Å²	19	58.6 Å²	58.6	10%	0.102	29%	0.285	C	S	.	.			trans	-58.2	121.6	173.8	-172.6	-46	0	0	0	110.2	K35 R42 L43 I44	K35-D40 VanDerWaalsContact CE-OD2 3.3Å; K35-D40 WeakPolarHBondContact CE-OD2 3.49Å; K35-D40 HydrophobicContact CG-CB 3.88Å; K35-D40 PolarHBondContact O-N 3.48Å; D40-R42 PolarHBondContact O-N 3.24Å; D40-R42 VanDerWaalsContact OD1-CB 3.31Å; D40-R42 WeakPolarHBondContact OD1-CB 3.39Å; D40-R42 PolarHBondContact OD1-N 2.79Å; D40-R42 IonicContact OD1-NE 3.11Å; D40-R42 PolarHBondContact OD1-NE 2.86Å; D40-R42 IonicContact OD1-NH2 2.76Å; D40-R42 IonicContact OD2-CZ 3.37Å; D40-R42 IonicContact OD2-NE 3.14Å; D40-R42 PolarHBondContact OD2-NE 3.43Å; D40-R42 IonicContact OD2-NH2 3.24Å; D40-R42 PolarHBondContact OD2-NH2 3.47Å; D40-L43 HydrophobicContact CB-CB 4.13Å; D40-L43 PolarHBondContact O-N 2.95Å; D40-L43 VanDerWaalsContact O-N 3.14Å; D40-I44 PolarHBondContact O-N 3.17Å
41	P	87.4	Confident	87.9	Confident	89 Å²	89	57.1 Å²	57.1	58%	0.578	28%	0.277	S	S	*	.	H	α-helix	trans	-64.9	-25	-174.8	25.7	-34.7	0	0	0	112.9	K39 N45	K39-P41 WeakPolarHBondContact O-CD 3.42Å; P41-N45 VanDerWaalsContact O-CB 3.28Å; P41-N45 WeakPolarHBondContact O-CB 3.33Å; P41-N45 PolarHBondContact O-N 3.39Å; P41-N45 PolarHBondContact O-ND2 2.91Å
42	R	87.9	Confident	88.1	Confident	93 Å²	93	55.1 Å²	55.1	35%	0.351	27%	0.267	S	S	.	.	H	α-helix	trans	-68.5	-45.1	175	-61	171.4	-66.5	164.2	0.5	110.4	N13 L16 D40 N45 F46	N13-R42 PolarHBondContact O-NH1 2.78Å; N13-R42 PolarHBondContact OD1-NH2 3.14Å; L16-R42 HydrophobicContact CB-CB 4.39Å; L16-R42 HydrophobicContact CD1-CB 4.38Å; D40-R42 PolarHBondContact O-N 3.24Å; D40-R42 VanDerWaalsContact OD1-CB 3.31Å; D40-R42 WeakPolarHBondContact OD1-CB 3.39Å; D40-R42 PolarHBondContact OD1-N 2.79Å; D40-R42 IonicContact OD1-NE 3.11Å; D40-R42 PolarHBondContact OD1-NE 2.86Å; D40-R42 IonicContact OD1-NH2 2.76Å; D40-R42 IonicContact OD2-CZ 3.37Å; D40-R42 IonicContact OD2-NE 3.14Å; D40-R42 PolarHBondContact OD2-NE 3.43Å; D40-R42 IonicContact OD2-NH2 3.24Å; D40-R42 PolarHBondContact OD2-NH2 3.47Å; R42-N45 PolarHBondContact O-N 3.25Å; R42-F46 WeakPolarHBondContact O-CB 3.31Å; R42-F46 PolarHBondContact O-N 2.76Å
43	L	89.6	Confident	88.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65	-46.5	178.5	-177.7	55.4	0	0	0	111.4	I12 L16 L26 K35 D40 N45 F46 L47	I12-L43 HydrophobicContact CD1-CD2 4.41Å; L16-L43 HydrophobicContact CD1-CB 3.91Å; L16-L43 HydrophobicContact CD2-CB 4.11Å; L16-L43 HydrophobicContact CD2-CD1 4Å; L26-L43 HydrophobicContact CD1-CD1 3.91Å; L26-L43 HydrophobicContact CD2-CD1 3.71Å; L26-L43 HydrophobicContact CG-CD1 4.3Å; K35-L43 HydrophobicContact CB-CD2 3.58Å; K35-L43 HydrophobicContact CG-CD2 3.91Å; D40-L43 HydrophobicContact CB-CB 4.13Å; D40-L43 PolarHBondContact O-N 2.95Å; D40-L43 VanDerWaalsContact O-N 3.14Å; L43-N45 PolarHBondContact O-N 3.04Å; L43-F46 PolarHBondContact O-N 3.14Å; L43-L47 HydrophobicContact CD1-CD1 3.74Å; L43-L47 HydrophobicContact CD1-CG 3.93Å; L43-L47 HydrophobicContact CG-CD1 3.79Å; L43-L47 HydrophobicContact CG-CG 4.39Å; L43-L47 WeakPolarHBondContact O-CB 3.26Å; L43-L47 WeakPolarHBondContact O-CG 3.5Å; L43-L47 PolarHBondContact O-N 2.7Å
44	I	89.9	Confident	88.4	Confident	12 Å²	12	55 Å²	55	6%	0.062	27%	0.266	C	S	.	.	H	α-helix	trans	-61.7	-45.3	176.6	-67.8	175.5	0	0	0	111.1	K39 D40 F46 L47 S48 I88 E90	K39-I44 HydrophobicContact CB-CD1 3.66Å; K39-I44 HydrophobicContact CG-CD1 4.23Å; D40-I44 PolarHBondContact O-N 3.17Å; I44-F46 VanDerWaalsContact C-N 3.3Å; I44-F46 PolarHBondContact O-N 3.11Å; I44-L47 PolarHBondContact O-N 3.34Å; I44-S48 VanDerWaalsContact O-CB 3.23Å; I44-S48 WeakPolarHBondContact O-CB 3.39Å; I44-S48 PolarHBondContact O-N 3.45Å; I44-S48 PolarHBondContact O-OG 3.47Å; I44-I88 HydrophobicContact CD1-CG1 4.35Å; I44-I88 HydrophobicContact CD1-CG2 3.93Å; I44-I88 HydrophobicContact CG1-CD1 4.27Å; I44-I88 HydrophobicContact CG1-CG2 3.94Å; I44-I88 HydrophobicContact CG2-CG2 3.84Å; I44-E90 HydrophobicContact CG2-CB 3.67Å; I44-E90 HydrophobicContact CG2-CG 3.84Å
45	N	88.4	Confident	88.6	Confident	119 Å²	119	54.9 Å²	54.9	64%	0.636	26%	0.263	S	S	*	.	H	α-helix	trans	-64.6	-32.7	176.8	-84.1	-80.1	0	0	0	112.7	P41 R42 L43	P41-N45 VanDerWaalsContact O-CB 3.28Å; P41-N45 WeakPolarHBondContact O-CB 3.33Å; P41-N45 PolarHBondContact O-N 3.39Å; P41-N45 PolarHBondContact O-ND2 2.91Å; R42-N45 PolarHBondContact O-N 3.25Å; L43-N45 PolarHBondContact O-N 3.04Å
46	F	90.4	Very high	88.9	Confident	24 Å²	24	53 Å²	53	11%	0.105	26%	0.255	C	S	.	.	H	α-helix	trans	-70.2	-53	173.7	179.7	-93.2	0	0	0	111.5	L16 L21 I23 L26 R42 L43 I44 S48 R49 N52	L16-F46 HydrophobicContact CD2-CB 4.48Å; L21-F46 HydrophobicContact CB-CE2 3.99Å; L21-F46 HydrophobicContact CB-CZ 4.23Å; L21-F46 HydrophobicContact CD2-CD1 4.36Å; L21-F46 HydrophobicContact CD2-CD2 4.22Å; L21-F46 HydrophobicContact CD2-CE1 4.13Å; L21-F46 HydrophobicContact CD2-CE2 3.98Å; L21-F46 HydrophobicContact CD2-CG 4.4Å; L21-F46 HydrophobicContact CD2-CZ 3.93Å; L21-F46 HydrophobicContact CG-CE1 4.43Å; L21-F46 HydrophobicContact CG-CE2 4.08Å; L21-F46 HydrophobicContact CG-CZ 3.88Å; L21-F46 VanDerWaalsContact O-CE2 3.31Å; L21-F46 WeakPolarHBondContact O-CE2 3.07Å; L21-F46 VanDerWaalsContact O-CZ 3.24Å; L21-F46 WeakPolarHBondContact O-CZ 3.25Å; I23-F46 HydrophobicContact CG1-CE1 4.02Å; I23-F46 HydrophobicContact CG1-CZ 4.5Å; L26-F46 HydrophobicContact CD2-CD1 3.52Å; L26-F46 HydrophobicContact CD2-CE1 3.52Å; R42-F46 WeakPolarHBondContact O-CB 3.31Å; R42-F46 PolarHBondContact O-N 2.76Å; L43-F46 PolarHBondContact O-N 3.14Å; I44-F46 VanDerWaalsContact C-N 3.3Å; I44-F46 PolarHBondContact O-N 3.11Å; F46-S48 VanDerWaalsContact C-N 3.32Å; F46-S48 PolarHBondContact O-N 3.35Å; F46-R49 WeakPolarHBondContact O-CB 3.43Å; F46-R49 WeakPolarHBondContact O-CG 3.38Å; F46-R49 PolarHBondContact O-N 3.17Å; F46-N52 VanDerWaalsContact CE1-ND2 3.26Å; F46-N52 WeakPolarHBondContact CE1-ND2 3.29Å; F46-N52 VanDerWaalsContact CZ-ND2 3.31Å; F46-N52 WeakPolarHBondContact CZ-ND2 3.42Å; F46-N52 PolarHBondContact O-ND2 3.24Å
47	L	89.9	Confident	89.2	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-37.2	-177.2	-69.1	170.6	0	0	0	112.4	L26 L43 I44 R49 L53 L56 I83 I91	L26-L47 HydrophobicContact CD2-CD2 3.92Å; L43-L47 HydrophobicContact CD1-CD1 3.74Å; L43-L47 HydrophobicContact CD1-CG 3.93Å; L43-L47 HydrophobicContact CG-CD1 3.79Å; L43-L47 HydrophobicContact CG-CG 4.39Å; L43-L47 WeakPolarHBondContact O-CB 3.26Å; L43-L47 WeakPolarHBondContact O-CG 3.5Å; L43-L47 PolarHBondContact O-N 2.7Å; I44-L47 PolarHBondContact O-N 3.34Å; L47-R49 PolarHBondContact O-N 3.25Å; L47-L53 WeakPolarHBondContact O-CD2 3.46Å; L47-L53 WeakPolarHBondContact O-CG 3.4Å; L47-L56 HydrophobicContact CD2-CD1 4.14Å; L47-I83 HydrophobicContact CD1-CG2 3.82Å; L47-I83 HydrophobicContact CD2-CG2 4.34Å; L47-I91 HydrophobicContact CB-CD1 3.86Å; L47-I91 HydrophobicContact CB-CG1 4.42Å; L47-I91 HydrophobicContact CD1-CD1 4.1Å
48	S	89.7	Confident	89.3	Confident	29 Å²	29	49 Å²	49	20%	0.203	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	1.4	-179.1	-48.1	0	0	0	0	114.1	I44 F46	I44-S48 VanDerWaalsContact O-CB 3.23Å; I44-S48 WeakPolarHBondContact O-CB 3.39Å; I44-S48 PolarHBondContact O-N 3.45Å; I44-S48 PolarHBondContact O-OG 3.47Å; F46-S48 VanDerWaalsContact C-N 3.32Å; F46-S48 PolarHBondContact O-N 3.35Å
49	R	89.7	Confident	89.3	Confident	111 Å²	111	44.5 Å²	44.5	42%	0.419	22%	0.223	S	C	.	.	S	Bend	trans	-64.7	141	174.1	-72.9	174.4	56.2	-175.7	-8.3	110.5	F46 L47 D51 N52 L53	F46-R49 WeakPolarHBondContact O-CB 3.43Å; F46-R49 WeakPolarHBondContact O-CG 3.38Å; F46-R49 PolarHBondContact O-N 3.17Å; L47-R49 PolarHBondContact O-N 3.25Å; R49-D51 IonicContact NH2-OD2 2.79Å; R49-D51 PolarHBondContact O-N 3.14Å; R49-N52 HydrophobicContact CB-CB 4.06Å; R49-N52 WeakPolarHBondContact O-CB 3.12Å; R49-N52 PolarHBondContact O-N 3.3Å; R49-L53 PolarHBondContact O-N 3.33Å
50	P	88.2	Confident	89.5	Confident	66 Å²	66	39.9 Å²	39.9	43%	0.429	20%	0.203	S	C	.	.	H	α-helix	trans	-53.1	-45.9	-177.4	-31.6	37.4	0	0	0	114.9	N52 D54 R273	P50-N52 VanDerWaalsContact C-N 3.26Å; P50-N52 PolarHBondContact O-N 3.23Å; P50-D54 WeakPolarHBondContact O-CB 3.18Å; P50-D54 PolarHBondContact O-N 3.22Å; P50-D54 VanDerWaalsContact O-OD1 3.1Å; P50-R273 VanDerWaalsContact CA-NH2 3.29Å; P50-R273 PolarHBondContact O-NH2 2.82Å; P50-R273 VanDerWaalsContact O-NH2 3.11Å
51	D	88.7	Confident	89.4	Confident	105 Å²	105	40 Å²	40	56%	0.561	21%	0.205	S	C	*	.	H	α-helix	trans	-64.9	-32.9	179.9	-36.1	-63.5	0	0	0	112	R49 Y55	R49-D51 IonicContact NH2-OD2 2.79Å; R49-D51 PolarHBondContact O-N 3.14Å; D51-Y55 PolarHBondContact O-N 3.39Å
52	N	91.4	Very high	88.9	Confident	19 Å²	19	41.4 Å²	41.4	10%	0.102	20%	0.199	C	C	.	.	H	α-helix	trans	-77.2	-45	-177.2	-80.8	-5.8	0	0	0	111.2	I23 F46 R49 P50 D54 Y55 L56	I23-N52 VanDerWaalsContact CD1-CA 3.47Å; I23-N52 HydrophobicContact CD1-CB 3.6Å; I23-N52 VanDerWaalsContact CD1-O 3.32Å; I23-N52 WeakPolarHBondContact CD1-O 3.04Å; I23-N52 WeakPolarHBondContact CD1-OD1 3.4Å; I23-N52 HydrophobicContact CG1-CB 4.38Å; F46-N52 VanDerWaalsContact CE1-ND2 3.26Å; F46-N52 WeakPolarHBondContact CE1-ND2 3.29Å; F46-N52 VanDerWaalsContact CZ-ND2 3.31Å; F46-N52 WeakPolarHBondContact CZ-ND2 3.42Å; F46-N52 PolarHBondContact O-ND2 3.24Å; R49-N52 HydrophobicContact CB-CB 4.06Å; R49-N52 WeakPolarHBondContact O-CB 3.12Å; R49-N52 PolarHBondContact O-N 3.3Å; P50-N52 VanDerWaalsContact C-N 3.26Å; P50-N52 PolarHBondContact O-N 3.23Å; N52-D54 VanDerWaalsContact C-N 3.33Å; N52-D54 PolarHBondContact O-N 2.8Å; N52-Y55 PolarHBondContact O-N 3.4Å; N52-L56 WeakPolarHBondContact O-CG 3.08Å; N52-L56 PolarHBondContact O-N 3.16Å
53	L	91.5	Very high	87.7	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-60.4	-42.6	172.1	-67.5	178.7	0	0	0	111.7	L47 R49 Y55 L56 I57 L84 I91	L47-L53 WeakPolarHBondContact O-CD2 3.46Å; L47-L53 WeakPolarHBondContact O-CG 3.4Å; R49-L53 PolarHBondContact O-N 3.33Å; L53-Y55 VanDerWaalsContact C-N 3.33Å; L53-Y55 PolarHBondContact O-N 2.81Å; L53-L56 PolarHBondContact O-N 2.99Å; L53-I57 WeakPolarHBondContact O-CB 3.48Å; L53-I57 VanDerWaalsContact O-CG1 3.24Å; L53-I57 WeakPolarHBondContact O-CG1 3.38Å; L53-I57 PolarHBondContact O-N 2.78Å; L53-L84 HydrophobicContact CD2-CD2 4.33Å; L53-I91 HydrophobicContact CD2-CB 4.46Å; L53-I91 HydrophobicContact CD2-CG1 4.39Å; L53-I91 HydrophobicContact CD2-CG2 3.93Å
54	D	90.3	Very high	86.2	Confident	23 Å²	23	40.4 Å²	40.4	12%	0.123	20%	0.204	C	C	.	.	H	α-helix	trans	-58.6	-43.2	175.9	-81.8	32.1	0	0	0	111.8	P50 N52 I57 D58 R272 R273	P50-D54 WeakPolarHBondContact O-CB 3.18Å; P50-D54 PolarHBondContact O-N 3.22Å; P50-D54 VanDerWaalsContact O-OD1 3.1Å; N52-D54 VanDerWaalsContact C-N 3.33Å; N52-D54 PolarHBondContact O-N 2.8Å; D54-I57 PolarHBondContact O-N 2.97Å; D54-D58 VanDerWaalsContact O-CB 3.25Å; D54-D58 WeakPolarHBondContact O-CB 3.07Å; D54-D58 PolarHBondContact O-N 3.29Å; D54-R272 IonicContact OD2-CZ 2.7Å; D54-R272 IonicContact OD2-NE 3.85Å; D54-R272 PolarHBondContact OD2-NE 3.4Å; D54-R272 IonicContact OD2-NH2 3.61Å; D54-R272 PolarHBondContact OD2-NH2 3.22Å; D54-R273 IonicContact OD1-CZ 3.55Å; D54-R273 IonicContact OD1-NE 3.88Å; D54-R273 PolarHBondContact OD1-NE 2.92Å; D54-R273 IonicContact OD1-NH2 2.76Å; D54-R273 PolarHBondContact OD1-NH2 3.37Å
55	Y	90.2	Very high	84.5	Confident	68 Å²	68	46.5 Å²	46.5	27%	0.267	23%	0.232	S	C	.	.	H	α-helix	trans	-69.7	-36.1	178.1	-178.9	-93.8	0	0	0	113.3	I23 K24 D51 N52 L53 D58 L59	I23-Y55 HydrophobicContact CB-CD1 3.86Å; I23-Y55 HydrophobicContact CB-CE1 3.96Å; I23-Y55 HydrophobicContact CD1-CD1 3.68Å; I23-Y55 HydrophobicContact CD1-CG 4.29Å; I23-Y55 HydrophobicContact CG1-CD1 4.38Å; I23-Y55 HydrophobicContact CG2-CD1 3.7Å; I23-Y55 HydrophobicContact CG2-CE1 3.64Å; K24-Y55 WeakPolarHBondContact CE-OH 3.46Å; K24-Y55 WeakPolarHBondContact CG-OH 3.32Å; D51-Y55 PolarHBondContact O-N 3.39Å; N52-Y55 PolarHBondContact O-N 3.4Å; L53-Y55 VanDerWaalsContact C-N 3.33Å; L53-Y55 PolarHBondContact O-N 2.81Å; Y55-D58 PolarHBondContact O-N 3.16Å; Y55-L59 HydrophobicContact CD1-CD1 3.96Å; Y55-L59 HydrophobicContact CD1-CG 4.33Å; Y55-L59 HydrophobicContact CE1-CD1 3.45Å; Y55-L59 VanDerWaalsContact CE1-CD1 3.45Å; Y55-L59 HydrophobicContact CE1-CD2 4.48Å; Y55-L59 HydrophobicContact CE1-CG 3.91Å; Y55-L59 WeakPolarHBondContact O-CG 3.31Å; Y55-L59 PolarHBondContact O-N 2.81Å
56	L	92.1	Very high	82.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.6	-39.1	174.3	-66.2	169.9	0	0	0	111.8	I23 L27 L47 N52 L53 L59 V60 A80 I83 L84	I23-L56 HydrophobicContact CD1-CD2 4.4Å; I23-L56 HydrophobicContact CD1-CG 4.11Å; I23-L56 HydrophobicContact CG2-CD2 3.99Å; L27-L56 HydrophobicContact CD1-CD2 4.43Å; L47-L56 HydrophobicContact CD2-CD1 4.14Å; N52-L56 WeakPolarHBondContact O-CG 3.08Å; N52-L56 PolarHBondContact O-N 3.16Å; L53-L56 PolarHBondContact O-N 2.99Å; L56-L59 PolarHBondContact O-N 3.48Å; L56-V60 PolarHBondContact O-N 2.61Å; L56-V60 VanDerWaalsContact O-N 3.08Å; L56-A80 HydrophobicContact CB-CB 4.31Å; L56-A80 HydrophobicContact CD2-CB 3.67Å; L56-I83 HydrophobicContact CD1-CG2 4.45Å; L56-L84 HydrophobicContact CB-CD1 3.91Å; L56-L84 HydrophobicContact CB-CD2 4.11Å; L56-L84 HydrophobicContact CB-CG 4.2Å; L56-L84 HydrophobicContact CD1-CD2 4.2Å
57	I	91.3	Very high	80.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.6	-39.3	174.4	-66.9	-73.7	0	0	0	110.8	L53 D54 V60 S61 L84 I95 R273 L276 L277 L299	L53-I57 WeakPolarHBondContact O-CB 3.48Å; L53-I57 VanDerWaalsContact O-CG1 3.24Å; L53-I57 WeakPolarHBondContact O-CG1 3.38Å; L53-I57 PolarHBondContact O-N 2.78Å; D54-I57 PolarHBondContact O-N 2.97Å; I57-V60 PolarHBondContact O-N 3.24Å; I57-S61 VanDerWaalsContact O-CB 3.26Å; I57-S61 WeakPolarHBondContact O-CB 3.21Å; I57-S61 PolarHBondContact O-N 2.76Å; I57-S61 PolarHBondContact O-OG 2.98Å; I57-L84 HydrophobicContact CD1-CD1 4Å; I57-L84 HydrophobicContact CG1-CD1 4.46Å; I57-I95 HydrophobicContact CD1-CG1 4.46Å; I57-I95 HydrophobicContact CD1-CG2 4.4Å; I57-R273 HydrophobicContact CG1-CB 4.28Å; I57-R273 HydrophobicContact CG1-CG 4.44Å; I57-L276 HydrophobicContact CG2-CB 4Å; I57-L276 HydrophobicContact CG2-CD1 4.27Å; I57-L277 HydrophobicContact CD1-CD1 4.03Å; I57-L277 HydrophobicContact CD1-CD2 4.22Å; I57-L277 HydrophobicContact CD1-CG 4.23Å; I57-L277 HydrophobicContact CG2-CD2 4.24Å; I57-L277 HydrophobicContact CG2-CG 4.22Å; I57-L299 HydrophobicContact CD1-CD2 3.72Å
58	D	88.8	Confident	79	Confident	53 Å²	53	57.5 Å²	57.5	28%	0.283	29%	0.292	S	S	.	.	H	α-helix	trans	-64.3	-39.2	174.6	-174.7	45.3	0	0	0	112.1	D54 Y55 S61 R62	D54-D58 VanDerWaalsContact O-CB 3.25Å; D54-D58 WeakPolarHBondContact O-CB 3.07Å; D54-D58 PolarHBondContact O-N 3.29Å; Y55-D58 PolarHBondContact O-N 3.16Å; D58-S61 PolarHBondContact O-N 2.73Å; D58-R62 VanDerWaalsContact CG-NH2 3.31Å; D58-R62 WeakPolarHBondContact O-CB 3.39Å; D58-R62 WeakPolarHBondContact O-CG 3.42Å; D58-R62 PolarHBondContact O-N 2.96Å; D58-R62 IonicContact OD1-CZ 3.91Å; D58-R62 IonicContact OD1-NE 2.76Å; D58-R62 PolarHBondContact OD1-NE 2.61Å; D58-R62 IonicContact OD1-NH2 3.36Å; D58-R62 PolarHBondContact OD1-NH2 2.73Å; D58-R62 VanDerWaalsContact OD1-NH2 3.11Å; D58-R62 IonicContact OD2-CZ 3.2Å; D58-R62 VanDerWaalsContact OD2-CZ 3.24Å; D58-R62 IonicContact OD2-NE 2.74Å; D58-R62 PolarHBondContact OD2-NE 2.68Å; D58-R62 VanDerWaalsContact OD2-NE 3.14Å; D58-R62 IonicContact OD2-NH2 3.45Å; D58-R62 PolarHBondContact OD2-NH2 2.77Å
59	L	88.1	Confident	77.8	Confident	7 Å²	7	61.6 Å²	61.6	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-62.5	-41.6	170.8	-78.6	174.3	0	0	0	112.9	L27 Y55 L56 L73 S77 A80	L27-L59 HydrophobicContact CD1-CD1 3.83Å; Y55-L59 HydrophobicContact CD1-CD1 3.96Å; Y55-L59 HydrophobicContact CD1-CG 4.33Å; Y55-L59 HydrophobicContact CE1-CD1 3.45Å; Y55-L59 VanDerWaalsContact CE1-CD1 3.45Å; Y55-L59 HydrophobicContact CE1-CD2 4.48Å; Y55-L59 HydrophobicContact CE1-CG 3.91Å; Y55-L59 WeakPolarHBondContact O-CG 3.31Å; Y55-L59 PolarHBondContact O-N 2.81Å; L56-L59 PolarHBondContact O-N 3.48Å; L59-L73 HydrophobicContact CD2-CD1 3.75Å; L59-S77 WeakPolarHBondContact O-CB 3.2Å; L59-S77 PolarHBondContact O-OG 3.2Å; L59-A80 HydrophobicContact CB-CB 4.05Å; L59-A80 HydrophobicContact CD1-CB 4.07Å
60	V	89.2	Confident	76.9	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-71.1	-36.1	178.5	162.9	0	0	0	0	112.2	L56 I57 A80 C81 L84 L277 F295 V296 L299	L56-V60 PolarHBondContact O-N 2.61Å; L56-V60 VanDerWaalsContact O-N 3.08Å; I57-V60 PolarHBondContact O-N 3.24Å; V60-A80 HydrophobicContact CG2-CB 4.13Å; V60-C81 HydrophobicContact CG2-CB 3.88Å; V60-L84 HydrophobicContact CG2-CD1 4.03Å; V60-L277 HydrophobicContact CG1-CD2 4.24Å; V60-F295 HydrophobicContact CG1-CB 3.97Å; V60-V296 HydrophobicContact CG1-CG2 3.92Å; V60-L299 HydrophobicContact CG1-CD2 4.26Å
61	S	85.5	Confident	76.2	Confident	22 Å²	22	61.4 Å²	61.4	15%	0.154	30%	0.302	C	S	.	.	H	α-helix	trans	-89.3	-6.6	-172.8	-48.5	0	0	0	0	114.1	I57 D58 F280	I57-S61 VanDerWaalsContact O-CB 3.26Å; I57-S61 WeakPolarHBondContact O-CB 3.21Å; I57-S61 PolarHBondContact O-N 2.76Å; I57-S61 PolarHBondContact O-OG 2.98Å; D58-S61 PolarHBondContact O-N 2.73Å; S61-F280 VanDerWaalsContact O-CD2 3.24Å; S61-F280 WeakPolarHBondContact O-CD2 3.47Å
62	R	75.6	Confident	75.6	Confident	118 Å²	118	61 Å²	61	45%	0.445	30%	0.3	S	S	.	.			trans	-84.2	139.1	179.2	-84.2	175.6	-167.9	-137.9	9.7	112.6	D58 S292	D58-R62 VanDerWaalsContact CG-NH2 3.31Å; D58-R62 WeakPolarHBondContact O-CB 3.39Å; D58-R62 WeakPolarHBondContact O-CG 3.42Å; D58-R62 PolarHBondContact O-N 2.96Å; D58-R62 IonicContact OD1-CZ 3.91Å; D58-R62 IonicContact OD1-NE 2.76Å; D58-R62 PolarHBondContact OD1-NE 2.61Å; D58-R62 IonicContact OD1-NH2 3.36Å; D58-R62 PolarHBondContact OD1-NH2 2.73Å; D58-R62 VanDerWaalsContact OD1-NH2 3.11Å; D58-R62 IonicContact OD2-CZ 3.2Å; D58-R62 VanDerWaalsContact OD2-CZ 3.24Å; D58-R62 IonicContact OD2-NE 2.74Å; D58-R62 PolarHBondContact OD2-NE 2.68Å; D58-R62 VanDerWaalsContact OD2-NE 3.14Å; D58-R62 IonicContact OD2-NH2 3.45Å; D58-R62 PolarHBondContact OD2-NH2 2.77Å; R62-S292 PolarHBondContact O-OG 2.96Å
63	T	64	Low	75	Confident	50 Å²	50	61.7 Å²	61.7	31%	0.307	30%	0.303	S	S	.	.			trans	-69.1	129.4	159.7	-0.1	0	0	0	0	110.1	E65 N289	T63-E65 WeakPolarHBondContact CB-OE1 3.25Å; T63-E65 HydrophobicContact CG2-CG 4.18Å; T63-E65 PolarHBondContact O-N 3.17Å; T63-E65 PolarHBondContact OG1-OE1 3.29Å; T63-N289 HydrophobicContact CG2-CB 3.45Å; T63-N289 VanDerWaalsContact CG2-CB 3.45Å
64	P	57.3	Low	74.4	Confident	22 Å²	22	64.3 Å²	64.3	14%	0.143	31%	0.314	C	S	.	.			trans	-75	71.4	162.2	31.4	-34.1	0	0	0	109.7	S66 L73 S292	P64-S66 PolarHBondContact O-N 2.67Å; P64-L73 HydrophobicContact CB-CD2 4.09Å; P64-S292 WeakPolarHBondContact CD-OG 3.44Å
65	E	55.4	Low	74.2	Confident	140 Å²	140	68.2 Å²	68.2	65%	0.654	33%	0.327	S	S	*	.			trans	-75.9	-0.7	179.4	-96.1	162.2	-117.2	0	0	114	T63 F67	T63-E65 WeakPolarHBondContact CB-OE1 3.25Å; T63-E65 HydrophobicContact CG2-CG 4.18Å; T63-E65 PolarHBondContact O-N 3.17Å; T63-E65 PolarHBondContact OG1-OE1 3.29Å; E65-F67 PolarHBondContact O-N 3.08Å
66	S	48.7	Very low	74.2	Confident	48 Å²	48	66.2 Å²	66.2	34%	0.336	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-74	123.5	178.9	66.8	0	0	0	0	111.6	P64 P68 F69 N70	P64-S66 PolarHBondContact O-N 2.67Å; S66-P68 CarbonylContact C-O 3.29Å; S66-P68 VanDerWaalsContact C-O 3.29Å; S66-P68 WeakPolarHBondContact CB-O 3.45Å; S66-P68 CarbonylContact O-C 3.44Å; S66-P68 PolarHBondContact OG-O 2.93Å; S66-F69 WeakPolarHBondContact O-CA 3.26Å; S66-F69 PolarHBondContact O-N 3.42Å; S66-N70 WeakPolarHBondContact OG-CB 3.46Å; S66-N70 PolarHBondContact OG-N 3.49Å
67	F	45.8	Very low	74	Confident	212 Å²	212	66.5 Å²	66.5	93%	0.93	32%	0.321	S	S	*	.	S	Bend	trans	-94.4	126.1	146.8	-103.5	-93.8	0	0	0	107.9	E65	E65-F67 PolarHBondContact O-N 3.08Å
68	P	58	Low	73.9	Confident	114 Å²	114	67.6 Å²	67.6	74%	0.74	33%	0.329	S	S	*	.	S	Bend	cis	-68.1	157.2	-4.9	31.2	-36.5	0	0	0	113.1	S66 N70	S66-P68 CarbonylContact C-O 3.29Å; S66-P68 VanDerWaalsContact C-O 3.29Å; S66-P68 WeakPolarHBondContact CB-O 3.45Å; S66-P68 CarbonylContact O-C 3.44Å; S66-P68 PolarHBondContact OG-O 2.93Å; P68-N70 PolarHBondContact O-N 3.42Å
69	F	64.5	Low	74	Confident	114 Å²	114	66.1 Å²	66.1	50%	0.5	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-58.6	123.1	179.2	174.5	-96.2	0	0	0	111.1	S66 R71 Y74	S66-F69 WeakPolarHBondContact O-CA 3.26Å; S66-F69 PolarHBondContact O-N 3.42Å; F69-R71 PolarHBondContact O-N 3.47Å; F69-Y74 HydrophobicContact CZ-CD1 4.46Å; F69-Y74 HydrophobicContact CZ-CG 4.1Å
70	N	70.2	Confident	74.2	Confident	66 Å²	66	65.8 Å²	65.8	35%	0.353	32%	0.319	S	S	.	.			trans	-85.5	95.6	-177.3	-172.1	-31.9	0	0	0	110.7	S66 P68 D72 L73 Y74	S66-N70 WeakPolarHBondContact OG-CB 3.46Å; S66-N70 PolarHBondContact OG-N 3.49Å; P68-N70 PolarHBondContact O-N 3.42Å; N70-D72 VanDerWaalsContact C-N 3.25Å; N70-D72 PolarHBondContact O-N 2.93Å; N70-D72 WeakPolarHBondContact OD1-CB 3.24Å; N70-D72 PolarHBondContact OD1-N 2.69Å; N70-L73 HydrophobicContact CB-CB 3.88Å; N70-L73 PolarHBondContact O-N 3.48Å; N70-L73 PolarHBondContact OD1-N 2.87Å; N70-Y74 PolarHBondContact O-N 3.11Å; N70-Y74 VanDerWaalsContact O-N 3.14Å
71	R	72.9	Confident	74.3	Confident	108 Å²	108	65.8 Å²	65.8	41%	0.408	32%	0.319	S	S	.	.	H	α-helix	trans	-53.8	-41.2	177.7	-168.5	-174.1	-172.7	-177.6	3.5	111.6	F69 Y74 R75 W995	F69-R71 PolarHBondContact O-N 3.47Å; R71-Y74 PolarHBondContact O-N 2.74Å; R71-R75 PolarHBondContact O-N 2.98Å; R71-W995 HydrophobicContact CG-CZ3 4.47Å; R71-W995 PolarHBondContact NH2-O 2.83Å
72	D	76.2	Confident	74.6	Confident	95 Å²	95	68 Å²	68	51%	0.508	33%	0.327	S	S	.	.	H	α-helix	trans	-67.5	-43.3	-178.8	-51.5	-24.2	0	0	0	111.4	N70 Y74 R75 Y76	N70-D72 VanDerWaalsContact C-N 3.25Å; N70-D72 PolarHBondContact O-N 2.93Å; N70-D72 WeakPolarHBondContact OD1-CB 3.24Å; N70-D72 PolarHBondContact OD1-N 2.69Å; D72-Y74 VanDerWaalsContact C-N 3.28Å; D72-Y74 PolarHBondContact O-N 3.38Å; D72-R75 PolarHBondContact O-N 3.43Å; D72-Y76 HydrophobicContact CB-CD2 4.24Å; D72-Y76 HydrophobicContact CB-CE2 3.81Å; D72-Y76 WeakPolarHBondContact O-CB 3.1Å; D72-Y76 WeakPolarHBondContact O-CD2 3.39Å; D72-Y76 PolarHBondContact O-N 3.27Å
73	L	79.2	Confident	75.4	Confident	34 Å²	34	62.5 Å²	62.5	18%	0.178	31%	0.306	C	S	.	.	H	α-helix	trans	-59.9	-41.3	175.5	-179.1	59.2	0	0	0	110.5	L59 P64 N70 Y76 S77	L59-L73 HydrophobicContact CD2-CD1 3.75Å; P64-L73 HydrophobicContact CB-CD2 4.09Å; N70-L73 HydrophobicContact CB-CB 3.88Å; N70-L73 PolarHBondContact O-N 3.48Å; N70-L73 PolarHBondContact OD1-N 2.87Å; L73-Y76 PolarHBondContact O-N 3.06Å; L73-S77 WeakPolarHBondContact O-CB 3.47Å; L73-S77 PolarHBondContact O-N 3.32Å; L73-S77 PolarHBondContact O-OG 2.8Å
74	Y	79.8	Confident	76.8	Confident	56 Å²	56	60.2 Å²	60.2	22%	0.22	29%	0.292	C	S	.	.	H	α-helix	trans	-64.1	-46.6	173.7	177.6	-115.8	0	0	0	112.8	F69 N70 R71 D72 Y76 S77 S78 L291 F295 M992	F69-Y74 HydrophobicContact CZ-CD1 4.46Å; F69-Y74 HydrophobicContact CZ-CG 4.1Å; N70-Y74 PolarHBondContact O-N 3.11Å; N70-Y74 VanDerWaalsContact O-N 3.14Å; R71-Y74 PolarHBondContact O-N 2.74Å; D72-Y74 VanDerWaalsContact C-N 3.28Å; D72-Y74 PolarHBondContact O-N 3.38Å; Y74-Y76 VanDerWaalsContact C-N 3.31Å; Y74-Y76 PolarHBondContact O-N 2.82Å; Y74-S77 PolarHBondContact O-N 2.96Å; Y74-S78 WeakPolarHBondContact O-CB 3.42Å; Y74-S78 PolarHBondContact O-N 3.41Å; Y74-L291 HydrophobicContact CD2-CD2 3.49Å; Y74-L291 VanDerWaalsContact CD2-CD2 3.49Å; Y74-L291 HydrophobicContact CD2-CG 4.04Å; Y74-L291 HydrophobicContact CE2-CD1 3.73Å; Y74-L291 HydrophobicContact CE2-CD2 3.52Å; Y74-L291 HydrophobicContact CE2-CG 3.69Å; Y74-L291 HydrophobicContact CG-CD2 4.45Å; Y74-F295 HydrophobicContact CD2-CE2 4.15Å; Y74-F295 HydrophobicContact CD2-CZ 4.04Å; Y74-F295 HydrophobicContact CE2-CE2 4.03Å; Y74-F295 AromaticContact CE2-CZ 3.56Å; Y74-F295 HydrophobicContact CE2-CZ 3.56Å; Y74-M992 HydrophobicContact CE1-CE 4.33Å; Y74-M992 VanDerWaalsContact OH-CE 3.25Å; Y74-M992 WeakPolarHBondContact OH-CE 3.4Å
75	R	85.6	Confident	78.5	Confident	106 Å²	106	60.6 Å²	60.6	40%	0.4	29%	0.294	S	S	.	.	H	α-helix	trans	-53.3	-49.8	173.2	173.2	172.9	176.2	162.2	7.4	110.3	D30 R71 D72 S78 L79	D30-R75 IonicContact OD1-CZ 2.73Å; D30-R75 IonicContact OD1-NH2 3.58Å; D30-R75 PolarHBondContact OD1-NH2 3.01Å; R71-R75 PolarHBondContact O-N 2.98Å; D72-R75 PolarHBondContact O-N 3.43Å; R75-S78 PolarHBondContact O-N 3.23Å; R75-L79 HydrophobicContact CG-CD1 3.65Å; R75-L79 WeakPolarHBondContact O-CB 3.33Å; R75-L79 PolarHBondContact O-N 2.96Å
76	Y	89.4	Confident	80.1	Confident	25 Å²	25	55.6 Å²	55.6	10%	0.098	27%	0.272	C	S	.	.	H	α-helix	trans	-66.2	-41.3	179.7	-63.3	-39.5	0	0	0	113.6	L27 N28 D72 L73 Y74 A80	L27-Y76 HydrophobicContact CB-CD1 3.63Å; L27-Y76 HydrophobicContact CB-CE1 3.84Å; L27-Y76 HydrophobicContact CD1-CD1 3.81Å; L27-Y76 HydrophobicContact CD1-CG 4.29Å; L27-Y76 HydrophobicContact CG-CD1 4.39Å; N28-Y76 VanDerWaalsContact OD1-CE1 3.22Å; N28-Y76 WeakPolarHBondContact OD1-CE1 3.42Å; N28-Y76 PolarHBondContact OD1-OH 3.01Å; D72-Y76 HydrophobicContact CB-CD2 4.24Å; D72-Y76 HydrophobicContact CB-CE2 3.81Å; D72-Y76 WeakPolarHBondContact O-CB 3.1Å; D72-Y76 WeakPolarHBondContact O-CD2 3.39Å; D72-Y76 PolarHBondContact O-N 3.27Å; L73-Y76 PolarHBondContact O-N 3.06Å; Y74-Y76 VanDerWaalsContact C-N 3.31Å; Y74-Y76 PolarHBondContact O-N 2.82Å; Y76-A80 WeakPolarHBondContact O-CB 3.46Å; Y76-A80 PolarHBondContact O-N 3.31Å
77	S	88.9	Confident	81.9	Confident	6 Å²	6	57.1 Å²	57.1	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-65.1	-39.4	175.9	-63.9	0	0	0	0	111.8	L59 L73 Y74 C81	L59-S77 WeakPolarHBondContact O-CB 3.2Å; L59-S77 PolarHBondContact O-OG 3.2Å; L73-S77 WeakPolarHBondContact O-CB 3.47Å; L73-S77 PolarHBondContact O-N 3.32Å; L73-S77 PolarHBondContact O-OG 2.8Å; Y74-S77 PolarHBondContact O-N 2.96Å; S77-C81 VanDerWaalsContact O-CB 3.25Å; S77-C81 WeakPolarHBondContact O-CB 3.26Å; S77-C81 PolarHBondContact O-N 3.19Å
78	S	88.2	Confident	84	Confident	24 Å²	24	47.2 Å²	47.2	17%	0.168	23%	0.233	C	C	.	.	H	α-helix	trans	-67.5	-49.3	176.5	-161.7	0	0	0	0	111.9	Y74 R75 A80 C81 E82	Y74-S78 WeakPolarHBondContact O-CB 3.42Å; Y74-S78 PolarHBondContact O-N 3.41Å; R75-S78 PolarHBondContact O-N 3.23Å; S78-A80 PolarHBondContact O-N 3.49Å; S78-C81 PolarHBondContact O-N 2.95Å; S78-E82 PolarHBondContact O-N 2.86Å
79	L	90.5	Very high	85.5	Confident	22 Å²	22	45.6 Å²	45.6	12%	0.115	22%	0.218	C	C	.	.	H	α-helix	trans	-60.3	-44.4	175.7	-84.5	156.8	0	0	0	112.1	L27 V32 L33 R75 E82 I83	L27-L79 HydrophobicContact CD2-CB 4.18Å; L27-L79 WeakPolarHBondContact O-CD1 3.1Å; V32-L79 HydrophobicContact CG1-CD2 4.03Å; L33-L79 HydrophobicContact CD1-CD2 3.59Å; L33-L79 HydrophobicContact CD2-CD2 4.01Å; L33-L79 HydrophobicContact CG-CD2 3.6Å; R75-L79 HydrophobicContact CG-CD1 3.65Å; R75-L79 WeakPolarHBondContact O-CB 3.33Å; R75-L79 PolarHBondContact O-N 2.96Å; L79-E82 PolarHBondContact O-N 3.43Å; L79-I83 WeakPolarHBondContact O-CB 3.49Å; L79-I83 VanDerWaalsContact O-CG1 3.26Å; L79-I83 WeakPolarHBondContact O-CG1 3.38Å; L79-I83 PolarHBondContact O-N 2.83Å
80	A	92.6	Very high	86.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-44.3	175.5	0	0	0	0	0	111.3	L56 L59 V60 Y76 S78 E82 I83 L84	L56-A80 HydrophobicContact CB-CB 4.31Å; L56-A80 HydrophobicContact CD2-CB 3.67Å; L59-A80 HydrophobicContact CB-CB 4.05Å; L59-A80 HydrophobicContact CD1-CB 4.07Å; V60-A80 HydrophobicContact CG2-CB 4.13Å; Y76-A80 WeakPolarHBondContact O-CB 3.46Å; Y76-A80 PolarHBondContact O-N 3.31Å; S78-A80 PolarHBondContact O-N 3.49Å; A80-E82 PolarHBondContact O-N 3.4Å; A80-I83 PolarHBondContact O-N 3.05Å; A80-L84 WeakPolarHBondContact O-CB 3.45Å; A80-L84 WeakPolarHBondContact O-CD1 3.23Å; A80-L84 WeakPolarHBondContact O-CG 3.23Å; A80-L84 PolarHBondContact O-N 3.18Å
81	C	92.3	Very high	87.7	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-44.5	175.1	-169.3	0	0	0	0	111.3	V60 S77 S78 L84 T85 F295 R298	V60-C81 HydrophobicContact CG2-CB 3.88Å; S77-C81 VanDerWaalsContact O-CB 3.25Å; S77-C81 WeakPolarHBondContact O-CB 3.26Å; S77-C81 PolarHBondContact O-N 3.19Å; S78-C81 PolarHBondContact O-N 2.95Å; C81-L84 PolarHBondContact O-N 3.13Å; C81-T85 WeakPolarHBondContact O-CG2 3.32Å; C81-T85 PolarHBondContact O-N 2.92Å; C81-T85 VanDerWaalsContact O-N 3.14Å; C81-T85 PolarHBondContact O-OG1 3.28Å; C81-F295 HydrophobicContact CB-CB 4.14Å; C81-F295 HydrophobicContact CB-CD1 3.73Å; C81-F295 HydrophobicContact CB-CE1 4.41Å; C81-F295 HydrophobicContact CB-CG 4.15Å; C81-F295 PolarHBondContact SG-O 3.38Å; C81-F295 VanDerWaalsContact SG-O 3.4Å; C81-R298 VanDerWaalsContact C-NH2 3.34Å; C81-R298 PolarHBondContact SG-NE 2.93Å; C81-R298 PolarHBondContact SG-NH2 3.44Å
82	E	91.8	Very high	88.6	Confident	69 Å²	69	37.1 Å²	37.1	32%	0.322	18%	0.182	S	C	.	.	H	α-helix	trans	-63.1	-46.7	178.2	-79.4	-172.4	-138	0	0	112.6	L33 S78 L79 A80 L84 T85 N86 R298	L33-E82 WeakPolarHBondContact CD1-OE2 3.43Å; L33-E82 HydrophobicContact CD2-CB 3.81Å; S78-E82 PolarHBondContact O-N 2.86Å; L79-E82 PolarHBondContact O-N 3.43Å; A80-E82 PolarHBondContact O-N 3.4Å; E82-L84 VanDerWaalsContact C-N 3.32Å; E82-L84 PolarHBondContact O-N 3.01Å; E82-T85 CarbonylContact O-C 3.56Å; E82-T85 PolarHBondContact O-N 3.21Å; E82-T85 PolarHBondContact O-OG1 2.95Å; E82-N86 PolarHBondContact O-N 2.68Å; E82-R298 VanDerWaalsContact CG-NH2 3.28Å; E82-R298 VanDerWaalsContact N-NH2 3.17Å
83	I	92.9	Very high	89.2	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-58.6	-44.3	177.3	-70.6	166.5	0	0	0	110.9	L27 V32 L33 L47 L56 L79 A80 T85 N86 I91	L27-I83 HydrophobicContact CD2-CD1 3.46Å; L27-I83 VanDerWaalsContact CD2-CD1 3.46Å; V32-I83 HydrophobicContact CG2-CD1 4.15Å; L33-I83 HydrophobicContact CD2-CG1 3.88Å; L47-I83 HydrophobicContact CD1-CG2 3.82Å; L47-I83 HydrophobicContact CD2-CG2 4.34Å; L56-I83 HydrophobicContact CD1-CG2 4.45Å; L79-I83 WeakPolarHBondContact O-CB 3.49Å; L79-I83 VanDerWaalsContact O-CG1 3.26Å; L79-I83 WeakPolarHBondContact O-CG1 3.38Å; L79-I83 PolarHBondContact O-N 2.83Å; A80-I83 PolarHBondContact O-N 3.05Å; I83-T85 PolarHBondContact O-N 3.09Å; I83-N86 PolarHBondContact O-N 3.38Å; I83-I91 HydrophobicContact CG2-CD1 4.31Å
84	L	92.8	Very high	89.6	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-69.9	-14	177.7	-64.4	169.2	0	0	0	113.2	L53 L56 I57 V60 A80 C81 E82 I91 I95 L299	L53-L84 HydrophobicContact CD2-CD2 4.33Å; L56-L84 HydrophobicContact CB-CD1 3.91Å; L56-L84 HydrophobicContact CB-CD2 4.11Å; L56-L84 HydrophobicContact CB-CG 4.2Å; L56-L84 HydrophobicContact CD1-CD2 4.2Å; I57-L84 HydrophobicContact CD1-CD1 4Å; I57-L84 HydrophobicContact CG1-CD1 4.46Å; V60-L84 HydrophobicContact CG2-CD1 4.03Å; A80-L84 WeakPolarHBondContact O-CB 3.45Å; A80-L84 WeakPolarHBondContact O-CD1 3.23Å; A80-L84 WeakPolarHBondContact O-CG 3.23Å; A80-L84 PolarHBondContact O-N 3.18Å; C81-L84 PolarHBondContact O-N 3.13Å; E82-L84 VanDerWaalsContact C-N 3.32Å; E82-L84 PolarHBondContact O-N 3.01Å; L84-I91 HydrophobicContact CD2-CG2 3.87Å; L84-I95 HydrophobicContact CB-CD1 4.5Å; L84-I95 HydrophobicContact CD2-CD1 3.81Å; L84-I95 HydrophobicContact CD2-CG1 4.28Å; L84-L299 HydrophobicContact CB-CD1 3.78Å; L84-L299 HydrophobicContact CB-CD2 4.28Å; L84-L299 HydrophobicContact CD1-CD2 3.87Å
85	T	92	Very high	90.1	Very high	30 Å²	30	32.6 Å²	32.6	18%	0.184	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	17.3	176.3	60.2	0	0	0	0	114.8	C81 E82 I83 D87 L299 H302	C81-T85 WeakPolarHBondContact O-CG2 3.32Å; C81-T85 PolarHBondContact O-N 2.92Å; C81-T85 VanDerWaalsContact O-N 3.14Å; C81-T85 PolarHBondContact O-OG1 3.28Å; E82-T85 CarbonylContact O-C 3.56Å; E82-T85 PolarHBondContact O-N 3.21Å; E82-T85 PolarHBondContact O-OG1 2.95Å; I83-T85 PolarHBondContact O-N 3.09Å; T85-D87 PolarHBondContact O-N 2.97Å; T85-L299 HydrophobicContact CG2-CD1 4.06Å; T85-H302 HydrophobicContact CG2-CB 3.9Å; T85-H302 PolarHBondContact O-CE1 3.49Å
86	N	89.2	Confident	90.2	Very high	36 Å²	36	28 Å²	28	19%	0.193	15%	0.148	C	C	.	.	S	Bend	trans	-97.3	31.7	-170.7	-155.7	-1.4	0	0	0	114.8	C36 E82 I83 I88	C36-N86 VanDerWaalsContact CB-ND2 3.26Å; C36-N86 WeakPolarHBondContact CB-ND2 3.45Å; E82-N86 PolarHBondContact O-N 2.68Å; I83-N86 PolarHBondContact O-N 3.38Å; N86-I88 VanDerWaalsContact C-N 3.29Å; N86-I88 HydrophobicContact CB-CD1 4.43Å; N86-I88 PolarHBondContact O-N 3.46Å
87	D	86.6	Confident	90	Very high	79 Å²	79	32 Å²	32	42%	0.422	17%	0.168	S	C	.	.			trans	55.5	32.2	176.9	-73.4	-39.2	0	0	0	115.7	K39 T85 H302 H306	K39-D87 PolarHBondContact NZ-O 3.14Å; T85-D87 PolarHBondContact O-N 2.97Å; D87-H302 IonicContact OD1-CE1 3.13Å; D87-H302 PolarHBondContact OD1-CE1 2.99Å; D87-H306 IonicContact OD1-CE1 3.48Å; D87-H306 PolarHBondContact OD1-CE1 2.79Å; D87-H306 IonicContact OD1-ND1 3.2Å; D87-H306 PolarHBondContact OD1-ND1 3.05Å; D87-H306 IonicContact OD1-NE2 3.9Å; D87-H306 PolarHBondContact OD1-NE2 2.79Å
88	I	90.1	Very high	89.2	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.021	19%	0.185	C	C	.	.			trans	-96	109.4	177.8	-64.3	163.4	0	0	0	108.9	C36 I44 N86 E90 I91 L92	C36-I88 HydrophobicContact CB-CD1 4.15Å; I44-I88 HydrophobicContact CD1-CG1 4.35Å; I44-I88 HydrophobicContact CD1-CG2 3.93Å; I44-I88 HydrophobicContact CG1-CD1 4.27Å; I44-I88 HydrophobicContact CG1-CG2 3.94Å; I44-I88 HydrophobicContact CG2-CG2 3.84Å; N86-I88 VanDerWaalsContact C-N 3.29Å; N86-I88 HydrophobicContact CB-CD1 4.43Å; N86-I88 PolarHBondContact O-N 3.46Å; I88-E90 VanDerWaalsContact C-N 3.31Å; I88-E90 HydrophobicContact CG2-CB 4.29Å; I88-E90 WeakPolarHBondContact CG2-OE2 3.21Å; I88-E90 PolarHBondContact O-N 2.76Å; I88-I91 HydrophobicContact CB-CB 4.16Å; I88-I91 HydrophobicContact CB-CD1 4.04Å; I88-I91 HydrophobicContact CB-CG1 4.22Å; I88-I91 HydrophobicContact CD1-CD1 3.88Å; I88-I91 HydrophobicContact CG2-CB 4Å; I88-I91 HydrophobicContact CG2-CD1 3.84Å; I88-I91 HydrophobicContact CG2-CG1 3.71Å; I88-I91 PolarHBondContact O-N 3Å; I88-L92 WeakPolarHBondContact O-CG 3.36Å; I88-L92 PolarHBondContact O-N 2.99Å
89	N	89.5	Confident	88	Confident	80 Å²	80	37.2 Å²	37.2	43%	0.428	20%	0.195	S	C	.	.	H	α-helix	trans	-62.2	-38.9	-174.2	-77.2	-58.7	0	0	0	112.4	I91 L92 D93 R307	N89-I91 VanDerWaalsContact C-N 3.28Å; N89-I91 PolarHBondContact O-N 2.84Å; N89-L92 PolarHBondContact O-N 3.16Å; N89-D93 WeakPolarHBondContact O-CB 3.45Å; N89-D93 PolarHBondContact O-N 2.79Å; N89-D93 VanDerWaalsContact O-OD2 3.12Å; N89-R307 PolarHBondContact OD1-NH1 3.28Å; N89-R307 PolarHBondContact OD1-NH2 3.49Å
90	E	90.1	Very high	85.7	Confident	107 Å²	107	44.5 Å²	44.5	50%	0.5	23%	0.229	S	C	.	.	H	α-helix	trans	-60.9	-37.9	179.4	-62.1	79.2	179.7	0	0	111.6	I44 I88 G94	I44-E90 HydrophobicContact CG2-CB 3.67Å; I44-E90 HydrophobicContact CG2-CG 3.84Å; I88-E90 VanDerWaalsContact C-N 3.31Å; I88-E90 HydrophobicContact CG2-CB 4.29Å; I88-E90 WeakPolarHBondContact CG2-OE2 3.21Å; I88-E90 PolarHBondContact O-N 2.76Å; E90-G94 PolarHBondContact O-N 3.31Å
91	I	91.6	Very high	83.1	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-72.6	-46.2	174.4	-69.7	177.9	0	0	0	110.1	L47 L53 I83 L84 I88 N89 G94 I95	L47-I91 HydrophobicContact CB-CD1 3.86Å; L47-I91 HydrophobicContact CB-CG1 4.42Å; L47-I91 HydrophobicContact CD1-CD1 4.1Å; L53-I91 HydrophobicContact CD2-CB 4.46Å; L53-I91 HydrophobicContact CD2-CG1 4.39Å; L53-I91 HydrophobicContact CD2-CG2 3.93Å; I83-I91 HydrophobicContact CG2-CD1 4.31Å; L84-I91 HydrophobicContact CD2-CG2 3.87Å; I88-I91 HydrophobicContact CB-CB 4.16Å; I88-I91 HydrophobicContact CB-CD1 4.04Å; I88-I91 HydrophobicContact CB-CG1 4.22Å; I88-I91 HydrophobicContact CD1-CD1 3.88Å; I88-I91 HydrophobicContact CG2-CB 4Å; I88-I91 HydrophobicContact CG2-CD1 3.84Å; I88-I91 HydrophobicContact CG2-CG1 3.71Å; I88-I91 PolarHBondContact O-N 3Å; N89-I91 VanDerWaalsContact C-N 3.28Å; N89-I91 PolarHBondContact O-N 2.84Å; I91-G94 CarbonylContact O-C 3.59Å; I91-G94 PolarHBondContact O-N 3.21Å; I91-I95 HydrophobicContact CG2-CD1 3.94Å; I91-I95 HydrophobicContact CG2-CG1 4.46Å; I91-I95 VanDerWaalsContact O-CG1 3.26Å; I91-I95 WeakPolarHBondContact O-CG1 3.39Å; I91-I95 PolarHBondContact O-N 2.83Å
92	L	90.3	Very high	80.2	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-61.3	-45.4	178.9	-68	170.4	0	0	0	112.6	I88 N89 G94 I95 I96 L303 H306	I88-L92 WeakPolarHBondContact O-CG 3.36Å; I88-L92 PolarHBondContact O-N 2.99Å; N89-L92 PolarHBondContact O-N 3.16Å; L92-G94 VanDerWaalsContact C-N 3.34Å; L92-I95 PolarHBondContact O-N 2.84Å; L92-I96 WeakPolarHBondContact O-CB 3.3Å; L92-I96 VanDerWaalsContact O-CG1 3.27Å; L92-I96 WeakPolarHBondContact O-CG1 3.5Å; L92-I96 PolarHBondContact O-N 3.12Å; L92-I96 VanDerWaalsContact O-N 3.17Å; L92-L303 HydrophobicContact CD2-CD2 3.89Å; L92-H306 HydrophobicContact CD1-CB 3.9Å
93	D	89.7	Confident	77.2	Confident	79 Å²	79	62.1 Å²	62.1	42%	0.422	32%	0.323	S	S	.	.	H	α-helix	trans	-69.3	-34.3	177.4	-67.4	-38.7	0	0	0	111.1	N89 I96 E97 R307	N89-D93 WeakPolarHBondContact O-CB 3.45Å; N89-D93 PolarHBondContact O-N 2.79Å; N89-D93 VanDerWaalsContact O-OD2 3.12Å; D93-I96 CarbonylContact O-C 3.4Å; D93-I96 PolarHBondContact O-N 3.17Å; D93-E97 PolarHBondContact O-N 3.1Å; D93-R307 IonicContact OD1-CZ 2.76Å; D93-R307 VanDerWaalsContact OD1-CZ 3.3Å; D93-R307 IonicContact OD1-NE 2.73Å; D93-R307 PolarHBondContact OD1-NE 3.36Å; D93-R307 IonicContact OD1-NH2 3.77Å; D93-R307 PolarHBondContact OD1-NH2 3.46Å; D93-R307 IonicContact OD2-CZ 2.7Å; D93-R307 IonicContact OD2-NH2 3.82Å; D93-R307 PolarHBondContact OD2-NH2 3.33Å
94	G	88.4	Confident	74.3	Confident	11 Å²	11	68.7 Å²	68.7	11%	0.113	36%	0.358	C	S	.	.	H	α-helix	trans	-64.5	-42.5	170.2	0	0	0	0	0	113.8	E90 I91 L92 I96 E97 R273	E90-G94 PolarHBondContact O-N 3.31Å; I91-G94 CarbonylContact O-C 3.59Å; I91-G94 PolarHBondContact O-N 3.21Å; L92-G94 VanDerWaalsContact C-N 3.34Å; G94-I96 PolarHBondContact O-N 3.2Å; G94-E97 WeakPolarHBondContact O-CB 3.28Å; G94-E97 PolarHBondContact O-N 2.69Å; G94-R273 PolarHBondContact O-NH1 2.92Å
95	I	88.9	Confident	71.1	Confident	1 Å²	1	76.9 Å²	76.9	1%	0.005	40%	0.396	C	S	.	.	H	α-helix	trans	-59.5	-35	173.3	-66.5	160.6	0	0	0	110.5	I57 L84 I91 L92 R273 L299 L303	I57-I95 HydrophobicContact CD1-CG1 4.46Å; I57-I95 HydrophobicContact CD1-CG2 4.4Å; L84-I95 HydrophobicContact CB-CD1 4.5Å; L84-I95 HydrophobicContact CD2-CD1 3.81Å; L84-I95 HydrophobicContact CD2-CG1 4.28Å; I91-I95 HydrophobicContact CG2-CD1 3.94Å; I91-I95 HydrophobicContact CG2-CG1 4.46Å; I91-I95 VanDerWaalsContact O-CG1 3.26Å; I91-I95 WeakPolarHBondContact O-CG1 3.39Å; I91-I95 PolarHBondContact O-N 2.83Å; L92-I95 PolarHBondContact O-N 2.84Å; I95-R273 HydrophobicContact CG2-CB 4.32Å; I95-R273 WeakPolarHBondContact O-CB 3.24Å; I95-L299 HydrophobicContact CD1-CD1 4.5Å; I95-L303 HydrophobicContact CB-CD2 4.34Å; I95-L303 HydrophobicContact CD1-CD2 4.29Å; I95-L303 HydrophobicContact CG2-CD1 3.97Å; I95-L303 HydrophobicContact CG2-CD2 3.93Å
96	I	88.1	Confident	68.1	Low	10 Å²	10	81.2 Å²	81.2	5%	0.051	43%	0.425	C	S	.	.	H	α-helix	trans	-86.6	-18.8	-174.8	-71.1	176.5	0	0	0	113.2	L92 D93 G94 L98 R271 I274 L303 R307 V310 I311	L92-I96 WeakPolarHBondContact O-CB 3.3Å; L92-I96 VanDerWaalsContact O-CG1 3.27Å; L92-I96 WeakPolarHBondContact O-CG1 3.5Å; L92-I96 PolarHBondContact O-N 3.12Å; L92-I96 VanDerWaalsContact O-N 3.17Å; D93-I96 CarbonylContact O-C 3.4Å; D93-I96 PolarHBondContact O-N 3.17Å; G94-I96 PolarHBondContact O-N 3.2Å; I96-L98 PolarHBondContact O-N 3.15Å; I96-R271 VanDerWaalsContact CG2-NH1 3.3Å; I96-R271 WeakPolarHBondContact O-CD 3.21Å; I96-R271 WeakPolarHBondContact O-CG 3.37Å; I96-R271 PolarHBondContact O-NH1 3.45Å; I96-I274 HydrophobicContact CG1-CD1 4.24Å; I96-L303 HydrophobicContact CD1-CD2 4.36Å; I96-L303 HydrophobicContact CG1-CD2 4.39Å; I96-R307 HydrophobicContact CD1-CB 3.29Å; I96-R307 HydrophobicContact CD1-CG 3.39Å; I96-V310 HydrophobicContact CG2-CB 4.48Å; I96-V310 HydrophobicContact CG2-CG1 3.77Å; I96-I311 HydrophobicContact CD1-CD1 3.83Å; I96-I311 HydrophobicContact CD1-CG1 4.23Å; I96-I311 HydrophobicContact CG1-CD1 3.87Å
97	E	85.4	Confident	65.1	Low	108 Å²	108	85.5 Å²	85.5	51%	0.505	45%	0.453	S	S	.	.			trans	-44.7	131.6	-170.5	-168.5	178.6	-151.5	0	0	114.1	D93 G94 T99 R273	D93-E97 PolarHBondContact O-N 3.1Å; G94-E97 WeakPolarHBondContact O-CB 3.28Å; G94-E97 PolarHBondContact O-N 2.69Å; E97-T99 PolarHBondContact O-N 3.43Å; E97-R273 IonicContact OE2-NH1 3.54Å
98	L	73.2	Confident	62.6	Low	76 Å²	76	87.6 Å²	87.6	40%	0.398	47%	0.47	S	S	.	.			trans	-68.1	121.1	177.2	-72.7	179.5	0	0	0	109.9	I96 E100 T269 R271	I96-L98 PolarHBondContact O-N 3.15Å; L98-E100 VanDerWaalsContact C-N 3.33Å; L98-E100 PolarHBondContact O-N 3.06Å; L98-T269 HydrophobicContact CD1-CG2 3.93Å; L98-T269 HydrophobicContact CD2-CG2 3.66Å; L98-T269 HydrophobicContact CG-CG2 4.4Å; L98-R271 HydrophobicContact CD2-CG 3.93Å
99	T	62.5	Low	59.9	Low	63 Å²	63	94.6 Å²	94.6	39%	0.387	51%	0.508	S	S	.	.			trans	-82	80.5	-179.1	-44	0	0	0	0	109.9	E97 S101 T270 R272	E97-T99 PolarHBondContact O-N 3.43Å; T99-S101 PolarHBondContact O-N 3.3Å; T99-T270 PolarHBondContact N-O 2.86Å; T99-R272 HydrophobicContact CG2-CB 4.29Å; T99-R272 VanDerWaalsContact OG1-CB 3.29Å; T99-R272 WeakPolarHBondContact OG1-CB 3.45Å; T99-R272 PolarHBondContact OG1-N 3.22Å
100	E	42.4	Very low	56.9	Low	175 Å²	175	99.5 Å²	99.5	82%	0.818	53%	0.528	S	S	*	.			trans	-59.9	112.1	174.1	-73.8	-163.6	168.1	0	0	110.5	L98 K102	L98-E100 VanDerWaalsContact C-N 3.33Å; L98-E100 PolarHBondContact O-N 3.06Å; E100-K102 PolarHBondContact O-N 3.24Å
101	S	37.3	Very low	53.8	Low	103 Å²	103	99.2 Å²	99.2	72%	0.72	54%	0.538	S	S	*	.			trans	-68.6	99	174.3	59.4	0	0	0	0	109.7	T99 I103	T99-S101 PolarHBondContact O-N 3.3Å; S101-I103 PolarHBondContact O-N 3.11Å
102	K	30.5	Very low	51	Low	186 Å²	186	107.9 Å²	107.9	81%	0.809	58%	0.578	S	S	*	*			trans	-59	105.8	170.3	-79.6	-177.2	176.9	174	0	109.8	E100 D104	E100-K102 PolarHBondContact O-N 3.24Å; K102-D104 PolarHBondContact O-N 3.16Å
103	I	30.2	Very low	48	Very low	150 Å²	150	113.4 Å²	113.4	77%	0.769	61%	0.612	S	S	*	*			trans	-74.2	102.6	159.2	-59.9	175.6	0	0	0	105.6	S101 Q105	S101-I103 PolarHBondContact O-N 3.11Å; I103-Q105 PolarHBondContact O-N 3.33Å
104	D	30.7	Very low	45.2	Very low	139 Å²	139	117.2 Å²	117.2	74%	0.743	63%	0.632	S	S	*	*			trans	-59.4	110.9	178.7	-76.9	-41.7	0	0	0	110.6	K102 P106	K102-D104 PolarHBondContact O-N 3.16Å; D104-P106 WeakPolarHBondContact O-CD 3.36Å
105	Q	26	Very low	42.2	Very low	175 Å²	175	120.9 Å²	120.9	82%	0.818	66%	0.661	S	S	*	*			trans	-79.4	118.1	160.9	-70	-164.4	7.9	0	0	108.2	I103 T107	I103-Q105 PolarHBondContact O-N 3.33Å; Q105-T107 PolarHBondContact O-N 3.46Å
106	P	30.3	Very low	39.4	Very low	121 Å²	121	127 Å²	127	79%	0.786	70%	0.703	S	S	*	*			trans	-70.6	114.6	-179.8	27.9	-33.3	0	0	0	110	D104 P108	D104-P106 WeakPolarHBondContact O-CD 3.36Å; P106-P108 VanDerWaalsContact O-CD 3.3Å; P106-P108 WeakPolarHBondContact O-CD 3.19Å
107	T	25.8	Very low	36.5	Very low	126 Å²	126	132.2 Å²	132.2	77%	0.773	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-74	119.8	170.9	48.4	0	0	0	0	110.6	Q105	Q105-T107 PolarHBondContact O-N 3.46Å
108	P	34.2	Very low	33.9	Very low	122 Å²	122	134.8 Å²	134.8	79%	0.792	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-83.7	132.2	167.5	32	-28	0	0	0	110	P106	P106-P108 VanDerWaalsContact O-CD 3.3Å; P106-P108 WeakPolarHBondContact O-CD 3.19Å
109	N	32.4	Very low	31.7	Very low	151 Å²	151	137.1 Å²	137.1	81%	0.807	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-67.9	149.6	-177.8	-76.8	-27.7	0	0	0	113.5
110	E	26	Very low	30.2	Very low	184 Å²	184	141.9 Å²	141.9	86%	0.86	78%	0.784	S	S	*	*			trans	8	116.7	152.2	-54.2	-172.7	139.9	0	0	118.4
111	S	26	Very low	29.4	Very low	100 Å²	100	140.3 Å²	140.3	70%	0.699	78%	0.781	S	S	*	*				176.3	125.6	102.3	41.4	0	0	0	0	112.9
112	H	32.7	Very low	29.2	Very low	184 Å²	184	142.2 Å²	142.2	85%	0.852	78%	0.784	S	S	*	*				176	125.3	115.1	-94.6	-61.8	0	0	0	111.3
113	T	26.4	Very low	29.2	Very low	118 Å²	118	139.6 Å²	139.6	72%	0.724	78%	0.778	S	S	*	*			trans	-68.4	134.2	168	51.1	0	0	0	0	111.2
114	N	31	Very low	29.2	Very low	158 Å²	158	139.4 Å²	139.4	85%	0.845	78%	0.779	S	S	*	*				-174.6	150.3	121.4	-94.5	-36.2	0	0	0	114.2
115	A	27.2	Very low	29.2	Very low	88 Å²	88	140.1 Å²	140.1	73%	0.727	78%	0.777	S	S	*	*			trans	-12.1	144	165.2	0	0	0	0	0	118.3
116	C	29.5	Very low	29.2	Very low	129 Å²	129	138.2 Å²	138.2	87%	0.872	77%	0.771	S	S	*	*				-156.2	150	50.9	-142.3	0	0	0	0	116.2
117	N	27.1	Very low	29.1	Very low	121 Å²	121	138.5 Å²	138.5	65%	0.647	77%	0.766	S	S	*	*			trans	-73.9	140.7	175.4	178.1	11.2	0	0	0	112.1
118	N	30.5	Very low	29	Very low	161 Å²	161	140.3 Å²	140.3	86%	0.861	77%	0.765	S	S	*	*			trans	-160.3	119.8	139.5	-117.4	-11.7	0	0	0	112.9
119	N	26.1	Very low	28.8	Very low	125 Å²	125	140.1 Å²	140.1	67%	0.668	77%	0.767	S	S	*	*			trans	-75.6	155.4	168.4	-71.2	-38.1	0	0	0	111.5
120	N	31.4	Very low	28.4	Very low	164 Å²	164	140.6 Å²	140.6	88%	0.877	77%	0.77	S	S	*	*				-161.2	122.2	124.2	-102.3	-25.9	0	0	0	111.8
121	N	26.4	Very low	28.5	Very low	142 Å²	142	141.1 Å²	141.1	76%	0.759	77%	0.772	S	S	*	*			trans	-75.7	159.9	164.8	-69.6	-24.4	0	0	0	110.1
122	N	32	Very low	28.5	Very low	143 Å²	143	143.3 Å²	143.3	77%	0.765	77%	0.774	S	S	*	*				-174.5	132.1	122.4	-94.5	-21.9	0	0	0	114.1
123	N	31.3	Very low	28.3	Very low	131 Å²	131	142.2 Å²	142.2	70%	0.701	78%	0.775	S	S	*	*			trans	69	115.6	151.7	-50.7	-23.4	0	0	0	119
124	N	31	Very low	28.1	Very low	146 Å²	146	141.9 Å²	141.9	78%	0.781	78%	0.776	S	S	*	*				61.7	134.8	64.1	-66.7	-0.9	0	0	0	113.7
125	H	28.9	Very low	27.9	Very low	154 Å²	154	142.4 Å²	142.4	71%	0.713	78%	0.778	S	S	*	*			cis	-176.9	166.8	-7.1	-161.6	-57.5	0	0	0	108.1
126	I	27.8	Very low	27.9	Very low	134 Å²	134	143.3 Å²	143.3	69%	0.687	78%	0.779	S	S	*	*			trans	73.3	139.7	157.4	-92.2	137.8	0	0	0	115.7
127	L	27.5	Very low	27.5	Very low	128 Å²	128	144.7 Å²	144.7	67%	0.67	78%	0.777	S	S	*	*			cis	-154.8	165.2	-7.6	-107.6	165.4	0	0	0	111.1
128	E	23.9	Very low	27.6	Very low	163 Å²	163	145.1 Å²	145.1	76%	0.762	79%	0.786	S	S	*	*			trans	50	128.6	153.4	-76.2	156.8	-159.8	0	0	120.3
129	S	28.8	Very low	27.2	Very low	118 Å²	118	142.6 Å²	142.6	83%	0.825	78%	0.781	S	S	*	*				-170.3	161.7	60.2	35.9	0	0	0	0	112.9
130	N	24.6	Very low	27.2	Very low	162 Å²	162	141.6 Å²	141.6	87%	0.866	78%	0.784	S	S	*	*			trans	-79.6	135.2	175.2	-74.1	-33	0	0	0	112.2
131	Q	29.3	Very low	27.1	Very low	195 Å²	195	143.4 Å²	143.4	91%	0.911	78%	0.784	S	S	*	*			trans	-165	154.9	130.9	-112.1	167.3	26.7	0	0	115
132	I	24.4	Very low	27.1	Very low	145 Å²	145	141.7 Å²	141.7	74%	0.744	78%	0.784	S	S	*	*			trans	-65	144.2	-175.5	-63.6	151.6	0	0	0	112.2
133	N	29.4	Very low	26.7	Very low	161 Å²	161	140.1 Å²	140.1	86%	0.861	78%	0.784	S	S	*	*			trans	-156.1	126.6	144.3	-107.7	-36.3	0	0	0	111.5
134	C	21.7	Very low	26.7	Very low	111 Å²	111	139.7 Å²	139.7	75%	0.75	79%	0.788	S	S	*	*			trans	-99.1	141.3	171.1	-63.8	0	0	0	0	109.5
135	L	28	Very low	26.3	Very low	169 Å²	169	140.1 Å²	140.1	89%	0.885	79%	0.79	S	S	*	*			trans	-127.4	94.1	172.6	-88.1	169.7	0	0	0	111.9
136	S	25.5	Very low	26.3	Very low	108 Å²	108	138 Å²	138	76%	0.755	79%	0.789	S	S	*	*			trans	10.2	132.9	146.4	-44.8	0	0	0	0	120.2
137	L	21.9	Very low	26.1	Very low	157 Å²	157	136.6 Å²	136.6	82%	0.822	79%	0.792	S	S	*	*			trans	-64.4	149.3	150.7	-74.1	73.7	0	0	0	110.4
138	P	29.3	Very low	26.1	Very low	131 Å²	131	135.8 Å²	135.8	85%	0.851	80%	0.797	S	S	*	*			trans	-92.4	121.4	157.8	33.3	-27	0	0	0	110.6
139	S	22.9	Very low	26.1	Very low	107 Å²	107	134.7 Å²	134.7	75%	0.748	80%	0.803	S	S	*	*			trans	-123.3	116.8	173.4	52.1	0	0	0	0	111.5
140	S	26.2	Very low	25.8	Very low	104 Å²	104	136.7 Å²	136.7	73%	0.727	80%	0.802	S	S	*	*			trans	-173.8	114.3	158.5	5.5	0	0	0	0	110.4
141	F	27.5	Very low	25.8	Very low	202 Å²	202	135.5 Å²	135.5	89%	0.886	79%	0.794	S	S	*	*				-172.2	165.1	106.1	-100.2	-69	0	0	0	110.3
142	S	27.2	Very low	25.5	Very low	107 Å²	107	133.1 Å²	133.1	75%	0.748	79%	0.786	S	S	*	*			trans	-79.9	158.8	-153.9	-48.1	0	0	0	0	116.9
143	S	24.5	Very low	25.6	Very low	109 Å²	109	133.7 Å²	133.7	76%	0.762	79%	0.79	S	S	*	*			trans	-52.7	168.9	148	32.3	0	0	0	0	112.7
144	P	30.3	Very low	25.4	Very low	122 Å²	122	132.5 Å²	132.5	79%	0.792	78%	0.784	S	S	*	*			cis	-138.8	-178.3	25.9	41.1	-21.1	0	0	0	118.1
145	L	23.4	Very low	25.6	Very low	156 Å²	156	135.8 Å²	135.8	82%	0.817	79%	0.788	S	S	*	*			trans	-54.7	165.1	157.5	-99.5	75.4	0	0	0	111.9
146	P	28.9	Very low	25.5	Very low	109 Å²	109	135 Å²	135	71%	0.708	79%	0.785	S	S	*	*			cis	-151.8	178.2	40.8	45.1	-25.2	0	0	0	119.7
147	S	22.9	Very low	25.5	Very low	105 Å²	105	136.7 Å²	136.7	73%	0.734	79%	0.785	S	S	*	*			trans	74.3	142.4	147.9	-63	0	0	0	0	122.4
148	S	26.9	Very low	25.9	Very low	111 Å²	111	136.7 Å²	136.7	78%	0.776	78%	0.778	S	S	*	*			trans	68	105.6	156.8	-58.8	0	0	0	0	119.2
149	P	25.5	Very low	25.6	Very low	139 Å²	139	138.2 Å²	138.2	90%	0.903	77%	0.774	S	S	*	*			trans	-86.9	110.4	168.8	33.4	-29.7	0	0	0	111.4
150	M	22.1	Very low	25.8	Very low	161 Å²	161	139.1 Å²	139.1	79%	0.793	78%	0.775	S	S	*	*			trans	-149	111.9	168.3	-162.5	168.9	-176.6	0	0	113.5
151	I	23.3	Very low	25.8	Very low	137 Å²	137	140.5 Å²	140.5	70%	0.703	77%	0.774	S	S	*	*			trans	35.9	100.6	145.7	-48.7	172.2	0	0	0	116.3	N153	I151-N153 HydrophobicContact CG2-CB 4.33Å
152	I	24.6	Very low	25.9	Very low	144 Å²	144	137.7 Å²	137.7	74%	0.738	77%	0.768	S	S	*	*			trans	-97.3	118.3	150.1	-63.2	174.6	0	0	0	107.2
153	N	25	Very low	26.1	Very low	157 Å²	157	138.4 Å²	138.4	84%	0.84	76%	0.764	S	S	*	*			trans	-132.9	84.2	163.8	-149.7	27.1	0	0	0	106.7	I151 H155	I151-N153 HydrophobicContact CG2-CB 4.33Å; N153-H155 PolarHBondContact O-N 3.01Å
154	D	25	Very low	26.4	Very low	136 Å²	136	139 Å²	139	73%	0.727	76%	0.759	S	S	*	*			trans	-69.9	116.1	-177.6	-93.3	-48.9	0	0	0	110.8
155	H	27	Very low	26.4	Very low	180 Å²	180	140 Å²	140	83%	0.833	76%	0.757	S	S	*	*			trans	-160.5	119.8	148.6	-97.9	-43.8	0	0	0	112.2	N153	N153-H155 PolarHBondContact O-N 3.01Å
156	N	24.8	Very low	26.7	Very low	152 Å²	152	140.3 Å²	140.3	81%	0.813	75%	0.754	S	S	*	*			trans	-163.1	123.9	134.7	-117.8	-74.2	0	0	0	111.6
157	L	26.8	Very low	26.6	Very low	144 Å²	144	139.4 Å²	139.4	75%	0.754	75%	0.751	S	S	*	*				179.9	103.7	127.9	-97.3	166.5	0	0	0	111.3
158	K	29	Very low	26.6	Very low	158 Å²	158	139.8 Å²	139.8	69%	0.687	75%	0.752	S	S	*	*			trans	66.5	110.3	146	-63.4	-175.3	176.4	175	0	118.3
159	E	23	Very low	26.5	Very low	162 Å²	162	141.8 Å²	141.8	76%	0.757	75%	0.754	S	S	*	*				66.7	112.9	77.5	-69.8	177.3	141.4	0	0	113.4
160	T	28.4	Very low	26.5	Very low	126 Å²	126	143.3 Å²	143.3	77%	0.773	76%	0.755	S	S	*	*				-169.4	126.9	113.8	14.7	0	0	0	0	113.7
161	N	26	Very low	26.6	Very low	133 Å²	133	142.9 Å²	142.9	71%	0.711	75%	0.754	S	S	*	*			trans	66.4	140.2	144.2	-58.8	-8.9	0	0	0	122
162	N	30.3	Very low	26.7	Very low	143 Å²	143	143 Å²	143	77%	0.765	76%	0.755	S	S	*	*			trans	82.3	128.7	164.9	-47.2	-29.7	0	0	0	116.4
163	N	30.2	Very low	26.8	Very low	122 Å²	122	141.7 Å²	141.7	65%	0.652	75%	0.749	S	S	*	*			cis	-169.8	166.3	-21.1	-127.3	37.6	0	0	0	108
164	D	31.2	Very low	26.9	Very low	122 Å²	122	140.1 Å²	140.1	65%	0.652	74%	0.744	S	S	*	*			trans	58.3	102.8	154.7	-46	-24.7	0	0	0	119
165	D	29.9	Very low	26.9	Very low	143 Å²	143	139.6 Å²	139.6	77%	0.765	74%	0.742	S	S	*	*				57.6	153	117.5	-65.7	-7.2	0	0	0	123.2
166	Q	30.1	Very low	27.1	Very low	162 Å²	162	137.5 Å²	137.5	76%	0.757	74%	0.737	S	S	*	*			cis	-165.6	148.2	-31.3	-157.6	173.8	31.4	0	0	108.6
167	S	26.4	Very low	27.4	Very low	91 Å²	91	136.4 Å²	136.4	64%	0.636	73%	0.731	S	S	*	*			trans	43.3	126	153.4	62.2	0	0	0	0	122.4
168	C	24.2	Very low	27.4	Very low	112 Å²	112	134.9 Å²	134.9	76%	0.757	73%	0.732	S	S	*	*			trans	73.1	111.5	140.4	-64.4	0	0	0	0	120.6
169	N	23	Very low	27.3	Very low	154 Å²	154	135.6 Å²	135.6	82%	0.824	74%	0.737	S	S	*	*				32.9	107.3	123.4	-60.7	-3.6	0	0	0	118
170	N	25.8	Very low	27.6	Very low	171 Å²	171	135.1 Å²	135.1	91%	0.914	74%	0.739	S	S	*	*			trans	-144.6	156.5	141.4	-116.3	-43.4	0	0	0	112
171	I	24.5	Very low	27.5	Very low	151 Å²	151	136.2 Å²	136.2	77%	0.774	74%	0.74	S	S	*	*			trans	-99.2	133.9	-163.2	-84.8	173.8	0	0	0	112.6
172	L	24.8	Very low	28.3	Very low	139 Å²	139	134.2 Å²	134.2	73%	0.728	73%	0.734	S	S	*	*			trans	38.8	121.3	151	-59	174.7	0	0	0	121.9
173	I	26.6	Very low	28.2	Very low	117 Å²	117	138.4 Å²	138.4	60%	0.6	74%	0.741	S	S	*	*				69.4	129.2	126.9	-61.4	174.8	0	0	0	119.8
174	V	27.6	Very low	28.3	Very low	124 Å²	124	137.1 Å²	137.1	75%	0.752	74%	0.742	S	S	*	*			trans	-109.3	126.4	160.8	168.3	0	0	0	0	109.5
175	N	26.3	Very low	28	Very low	125 Å²	125	137.7 Å²	137.7	67%	0.668	75%	0.745	S	S	*	*	S	Bend	trans	46.8	121.3	156.8	-66.4	-0.4	0	0	0	119.7
176	N	29.4	Very low	28.1	Very low	136 Å²	136	138 Å²	138	73%	0.727	75%	0.745	S	S	*	*			cis	-146.9	135.8	3.3	-42.9	-93.2	0	0	0	107.5
177	N	31.2	Very low	28.1	Very low	129 Å²	129	137.1 Å²	137.1	69%	0.69	74%	0.74	S	S	*	*			cis	72.4	58.5	5.2	-57.9	1	0	0	0	117.3
178	S	28.1	Very low	28.1	Very low	112 Å²	112	138.6 Å²	138.6	78%	0.783	74%	0.741	S	S	*	*			trans	-153.8	142.6	150.5	75.6	0	0	0	0	108.7
179	H	26.9	Very low	28.5	Very low	173 Å²	173	141.1 Å²	141.1	80%	0.801	75%	0.747	S	S	*	*			cis	-160.1	139.1	11.7	-164.2	-16.1	0	0	0	110.2
180	I	28.8	Very low	28.7	Very low	152 Å²	152	138.4 Å²	138.4	78%	0.779	75%	0.746	S	S	*	*			trans	150.1	139	133.2	-76.2	166.1	0	0	0	109.7
181	D	26.5	Very low	28.8	Very low	149 Å²	149	135 Å²	135	80%	0.797	74%	0.742	S	S	*	*			trans	-147.5	-171.2	-164.5	-143	16.5	0	0	0	109.7
182	P	41.9	Very low	29.2	Very low	92 Å²	92	132.7 Å²	132.7	60%	0.597	75%	0.745	S	S	*	*				-136.9	-170.1	-120.9	43.1	-21.6	0	0	0	116
183	Y	28.6	Very low	29.5	Very low	230 Å²	230	130.6 Å²	130.6	90%	0.902	75%	0.748	S	S	*	*			trans	-158.5	155.9	159.5	-76	-85	0	0	0	107.8
184	S	32.1	Very low	29.8	Very low	96 Å²	96	129 Å²	129	67%	0.671	75%	0.752	S	S	*	*			cis	-167.8	136.6	-20	48.1	0	0	0	0	106.4
185	N	26	Very low	29.8	Very low	134 Å²	134	130.2 Å²	130.2	72%	0.717	75%	0.754	S	S	*	*			cis	83.9	149.2	44.7	-158.1	6.9	0	0	0	114
186	I	31.5	Very low	29.9	Very low	150 Å²	150	129.5 Å²	129.5	77%	0.769	76%	0.755	S	S	*	*			trans	89.8	113.7	-173.9	-57	161	0	0	0	113
187	H	29.4	Very low	30	Very low	143 Å²	143	129.4 Å²	129.4	66%	0.662	75%	0.754	S	S	*	*			cis	73.8	146.5	48.1	-69.7	-69	0	0	0	114.2
188	D	27.7	Very low	30	Very low	121 Å²	121	130.6 Å²	130.6	65%	0.647	76%	0.755	S	S	*	*			cis	-165.1	156	-8.6	-114.3	-5.6	0	0	0	111
189	N	31.6	Very low	30	Very low	166 Å²	166	132.1 Å²	132.1	89%	0.888	75%	0.754	S	S	*	*				154.4	155.2	127.8	-86.3	-74.6	0	0	0	114.1
190	A	27.9	Very low	30	Very low	96 Å²	96	128.6 Å²	128.6	79%	0.793	75%	0.749	S	S	*	*			trans	-123.8	163	-163.1	0	0	0	0	0	115.2
191	A	27.4	Very low	30	Very low	100 Å²	100	126.5 Å²	126.5	83%	0.826	75%	0.748	S	S	*	*				159.4	112.8	116.6	0	0	0	0	0	114.9
192	A	32.3	Very low	29.8	Very low	102 Å²	102	125.3 Å²	125.3	84%	0.843	75%	0.751	S	S	*	*			trans	-178.3	141.4	147.9	0	0	0	0	0	112
193	A	32	Very low	29.2	Very low	96 Å²	96	128.3 Å²	128.3	79%	0.793	76%	0.76	S	S	*	*			trans	45.1	106.3	163.9	0	0	0	0	0	118.9
194	A	31.7	Very low	29	Very low	83 Å²	83	122.3 Å²	122.3	69%	0.686	75%	0.752	S	S	*	*				68.2	100.5	88.5	0	0	0	0	0	113.5
195	D	28.5	Very low	28.7	Very low	150 Å²	150	124.2 Å²	124.2	80%	0.802	76%	0.759	S	S	*	*				72.7	129.3	77.1	-67.8	-30.7	0	0	0	113.1
196	T	29.2	Very low	28.8	Very low	110 Å²	110	125.4 Å²	125.4	68%	0.675	76%	0.764	S	S	*	*			cis	-160.1	172.7	-3.6	25.3	0	0	0	0	110.3
197	N	31	Very low	28.4	Very low	133 Å²	133	125.3 Å²	125.3	71%	0.711	77%	0.765	S	S	*	*			trans	83.7	114.6	151.8	-63.4	-26.8	0	0	0	123.1
198	H	30.5	Very low	28.3	Very low	154 Å²	154	128 Å²	128	71%	0.713	78%	0.778	S	S	*	*			trans	76.7	116.4	131.7	-81.1	-97	0	0	0	124.1
199	L	28.2	Very low	28.1	Very low	144 Å²	144	127.1 Å²	127.1	75%	0.754	78%	0.781	S	S	*	*			trans	69.5	115.7	139.6	-61.9	170.5	0	0	0	118.3
200	S	26.3	Very low	27.7	Very low	100 Å²	100	124.4 Å²	124.4	70%	0.699	78%	0.775	S	S	*	*				73.4	126.1	79.2	149.7	0	0	0	0	113.1
201	S	29.7	Very low	27.7	Very low	108 Å²	108	127.2 Å²	127.2	76%	0.755	78%	0.775	S	S	*	*			cis	-152.2	167.4	4.7	-82.6	0	0	0	0	111.7
202	S	22.5	Very low	27.7	Very low	123 Å²	123	129.3 Å²	129.3	86%	0.86	77%	0.771	S	S	*	*			trans	-128.1	125.1	176	-54.5	0	0	0	0	111.3
203	I	29	Very low	27.5	Very low	156 Å²	156	130.6 Å²	130.6	80%	0.8	76%	0.764	S	S	*	*			trans	-158.4	118.1	163.8	-96.1	147.3	0	0	0	103.2
204	S	23.8	Very low	27.2	Very low	103 Å²	103	132 Å²	132	72%	0.72	76%	0.758	S	S	*	*			cis	80.5	72.1	47.9	82.9	0	0	0	0	114.3
205	V	27.5	Very low	27.1	Very low	137 Å²	137	136.7 Å²	136.7	83%	0.83	77%	0.765	S	S	*	*			trans	-135.3	129.8	143.3	-176.3	0	0	0	0	107.5
206	I	27.1	Very low	27.1	Very low	159 Å²	159	137.9 Å²	137.9	82%	0.815	77%	0.772	S	S	*	*			trans	-124.7	148.1	163.9	-66.5	178.2	0	0	0	105.5
207	N	23.5	Very low	27	Very low	147 Å²	147	137.7 Å²	137.7	79%	0.786	78%	0.775	S	S	*	*			trans	-52.8	145.6	173.7	-61.6	-8.5	0	0	0	111.3
208	E	27.1	Very low	26.8	Very low	199 Å²	199	139.7 Å²	139.7	93%	0.93	78%	0.78	S	S	*	*			trans	-161.2	139.5	130.5	-115.7	160.7	-147.7	0	0	111.3
209	S	23.8	Very low	26.6	Very low	103 Å²	103	140.2 Å²	140.2	72%	0.72	79%	0.787	S	S	*	*			trans	-113.4	115.9	174.4	52.7	0	0	0	0	108.9
210	S	23.9	Very low	26.6	Very low	109 Å²	109	140.9 Å²	140.9	76%	0.762	79%	0.791	S	S	*	*			trans	53.6	128.4	161.4	60.7	0	0	0	0	119.8
211	I	27	Very low	26.5	Very low	155 Å²	155	142.4 Å²	142.4	80%	0.795	79%	0.791	S	S	*	*				-172.3	128.2	127.8	-103.9	158.5	0	0	0	113.9
212	I	27.8	Very low	26.2	Very low	144 Å²	144	144.4 Å²	144.4	74%	0.738	79%	0.793	S	S	*	*			trans	64.5	101.5	151.9	-60.4	173.7	0	0	0	121.9
213	N	27.1	Very low	26.5	Very low	129 Å²	129	146.6 Å²	146.6	69%	0.69	79%	0.794	S	S	*	*				33.1	136.5	123.3	-68.1	50.7	0	0	0	126.3
214	D	26.5	Very low	26.5	Very low	126 Å²	126	146.1 Å²	146.1	67%	0.674	79%	0.792	S	S	*	*				55.8	124.5	129.2	-57.8	-36.8	0	0	0	124.5
215	H	30.2	Very low	26.5	Very low	181 Å²	181	152.9 Å²	152.9	84%	0.838	80%	0.802	S	S	*	*				-170.3	126.5	107.9	-106.1	16.4	0	0	0	113.6
216	N	27.7	Very low	26.4	Very low	175 Å²	175	154 Å²	154	94%	0.936	80%	0.803	S	S	*	*			trans	-175	140.7	139.5	-102.9	-55.6	0	0	0	110.3
217	S	26.3	Very low	26.5	Very low	106 Å²	106	151.2 Å²	151.2	74%	0.741	79%	0.79	S	S	*	*			trans	-149.2	160.7	-166.5	63.7	0	0	0	0	115.6
218	Q	26.7	Very low	26.6	Very low	175 Å²	175	150.8 Å²	150.8	82%	0.818	79%	0.787	S	S	*	*			trans	63.7	108.5	163.3	-59.8	-168.8	12	0	0	121.3
219	L	27.5	Very low	26.5	Very low	166 Å²	166	148.8 Å²	148.8	87%	0.869	78%	0.783	S	S	*	*			trans	-160.5	134.1	133.3	-95	172.6	0	0	0	105.5
220	L	26.9	Very low	26.7	Very low	158 Å²	158	149.8 Å²	149.8	83%	0.827	78%	0.776	S	S	*	*			cis	-149.2	155	0.9	-179.5	68.2	0	0	0	108.6
221	N	24.9	Very low	26.8	Very low	132 Å²	132	149.7 Å²	149.7	71%	0.706	77%	0.767	S	S	*	*			trans	-85.9	168.1	-171.9	-81.7	-26.2	0	0	0	116.5
222	N	24.5	Very low	26.7	Very low	150 Å²	150	151.9 Å²	151.9	80%	0.802	77%	0.771	S	S	*	*			trans	87	111	159.6	-56.5	-23.9	0	0	0	119.1
223	I	28.7	Very low	26.6	Very low	169 Å²	169	150.9 Å²	150.9	87%	0.867	77%	0.771	S	S	*	*				-153.1	156.8	116.5	-98.3	156.9	0	0	0	109
224	D	27.9	Very low	26.4	Very low	145 Å²	145	147.6 Å²	147.6	78%	0.775	76%	0.759	S	S	*	*			trans	-48.7	150	-154.9	-57.8	-65	0	0	0	121.5	N226	D224-N226 PolarHBondContact O-N 3.31Å
225	R	23.7	Very low	26.4	Very low	246 Å²	246	148.5 Å²	148.5	93%	0.928	76%	0.764	S	S	*	*	S	Bend	trans	-70.7	104.3	165.9	-66.5	171	173.4	156.7	-6	110.4
226	N	26.2	Very low	26.1	Very low	159 Å²	159	146.9 Å²	146.9	85%	0.85	76%	0.76	S	S	*	*			trans	-159.4	15.5	164.1	-110.6	-20.4	0	0	0	115.3	D224	D224-N226 PolarHBondContact O-N 3.31Å
227	N	28.7	Very low	26	Very low	101 Å²	101	147.8 Å²	147.8	54%	0.54	76%	0.756	S	S	.	*			trans	-141.1	62.8	-173.9	-136.8	26.8	0	0	0	114.2	E230	N227-E230 PolarHBondContact ND2-OE2 3.31Å; N227-E230 PolarHBondContact OD1-OE2 2.96Å
228	L	25.1	Very low	25.9	Very low	139 Å²	139	149.8 Å²	149.8	73%	0.728	76%	0.757	S	S	*	*	S	Bend	trans	-97.9	-10	173.9	-91.7	166.4	0	0	0	114.4
229	N	26.5	Very low	25.8	Very low	157 Å²	157	146.7 Å²	146.7	84%	0.84	76%	0.755	S	S	*	*	S	Bend	trans	-93.8	-1.8	-179.9	-69.6	10.9	0	0	0	114.2
230	E	27.6	Very low	25.7	Very low	123 Å²	123	143.8 Å²	143.8	58%	0.575	75%	0.749	S	S	*	*	S	Bend	trans	-103.2	-2.4	176.4	-69.4	-165.4	133.1	0	0	114.2	N227 T233 S234	N227-E230 PolarHBondContact ND2-OE2 3.31Å; N227-E230 PolarHBondContact OD1-OE2 2.96Å; E230-T233 PolarHBondContact O-OG1 2.91Å; E230-S234 PolarHBondContact O-OG 3.48Å
231	L	24.3	Very low	25.6	Very low	107 Å²	107	141.3 Å²	141.3	56%	0.56	74%	0.742	S	S	*	*	S	Bend	trans	-95.6	-10.2	-174.7	-90.3	163.7	0	0	0	115.2
232	F	26.1	Very low	25.6	Very low	201 Å²	201	143.9 Å²	143.9	88%	0.882	75%	0.752	S	S	*	*	S	Bend	trans	-89.1	-7.7	174.9	-88.9	-80.6	0	0	0	114.5
233	T	25.6	Very low	25.7	Very low	123 Å²	123	144.3 Å²	144.3	76%	0.755	75%	0.754	S	S	*	*	S	Bend	trans	-107.2	4	-174.3	47.5	0	0	0	0	114.7	E230	E230-T233 PolarHBondContact O-OG1 2.91Å
234	S	23.1	Very low	25.4	Very low	61 Å²	61	143 Å²	143	43%	0.427	75%	0.748	S	S	.	*	S	Bend	trans	-121.5	-2.1	-165.8	45.2	0	0	0	0	116.8	E230	E230-S234 PolarHBondContact O-OG 3.48Å
235	N	25.4	Very low	25.2	Very low	145 Å²	145	142.2 Å²	142.2	78%	0.775	75%	0.75	S	S	*	*			trans	-107.2	24	-177	-88.7	-30.4	0	0	0	116
236	L	23.9	Very low	25.3	Very low	146 Å²	146	136.4 Å²	136.4	76%	0.764	74%	0.743	S	S	*	*			trans	-110.6	60.2	162.4	-82.6	172.2	0	0	0	110.5
237	K	25.6	Very low	25.3	Very low	195 Å²	195	134.1 Å²	134.1	85%	0.848	74%	0.739	S	S	*	*			trans	-94.5	118.5	-178.9	-150.4	164.8	-168.4	168.4	0	110.5
238	L	25	Very low	25.2	Very low	147 Å²	147	135.4 Å²	135.4	77%	0.77	76%	0.756	S	S	*	*			trans	-36	132.2	-174.9	-86.2	58.1	0	0	0	114.6	S240	L238-S240 PolarHBondContact O-N 3.22Å
239	S	23.7	Very low	25.1	Very low	110 Å²	110	134.2 Å²	134.2	77%	0.769	76%	0.759	S	S	*	*			trans	-50	113.7	151.5	-58.2	0	0	0	0	108.2
240	S	26.2	Very low	25	Very low	106 Å²	106	132 Å²	132	74%	0.741	76%	0.756	S	S	*	*			trans	-67.5	144.4	-173.6	-66.1	0	0	0	0	111	L238 M242	L238-S240 PolarHBondContact O-N 3.22Å; S240-M242 PolarHBondContact O-N 3.29Å
241	P	24.7	Very low	24.9	Very low	105 Å²	105	133.1 Å²	133.1	68%	0.682	77%	0.771	S	S	*	*			trans	-61.7	138.4	-178.9	26.3	-34.7	0	0	0	110.7	L243	P241-L243 PolarHBondContact O-N 2.95Å
242	M	25.8	Very low	24.8	Very low	186 Å²	186	135.5 Å²	135.5	92%	0.916	78%	0.783	S	S	*	*			trans	-68.5	98.8	-177.6	-159.6	175.2	81.1	0	0	110.2	S240 L244	S240-M242 PolarHBondContact O-N 3.29Å; M242-L244 PolarHBondContact O-N 3.16Å
243	L	25.7	Very low	24.8	Very low	160 Å²	160	132.6 Å²	132.6	84%	0.838	78%	0.782	S	S	*	*			trans	-67.2	127.6	-179.7	-81.5	165.3	0	0	0	111.1	P241	P241-L243 PolarHBondContact O-N 2.95Å
244	L	23.7	Very low	24.7	Very low	141 Å²	141	133 Å²	133	74%	0.738	79%	0.785	S	S	*	*			trans	-66	138.8	166.6	-73.3	96.2	0	0	0	110	M242 T246	M242-L244 PolarHBondContact O-N 3.16Å; L244-T246 PolarHBondContact O-N 3.47Å; L244-T246 VanDerWaalsContact O-N 3.14Å
245	P	23.4	Very low	24.9	Very low	128 Å²	128	135.7 Å²	135.7	83%	0.831	80%	0.803	S	S	*	*			trans	-78.8	97.3	178.9	30.7	-34.1	0	0	0	111.6
246	T	25.4	Very low	24.9	Very low	125 Å²	125	135.5 Å²	135.5	77%	0.767	80%	0.802	S	S	*	*			trans	-106.9	83.6	176.1	44.4	0	0	0	0	113.3	L244	L244-T246 PolarHBondContact O-N 3.47Å; L244-T246 VanDerWaalsContact O-N 3.14Å
247	S	25.9	Very low	25	Very low	111 Å²	111	136.4 Å²	136.4	78%	0.776	81%	0.808	S	S	*	*			trans	48.8	89.9	140.2	-54.4	0	0	0	0	119.4	S249	S247-S249 PolarHBondContact O-N 3.46Å; S247-S249 VanDerWaalsContact O-N 3.14Å
248	S	26.4	Very low	25	Very low	128 Å²	128	134.6 Å²	134.6	90%	0.895	81%	0.807	S	S	*	*			trans	-67.4	104.5	156.4	57.2	0	0	0	0	110.6
249	S	23.5	Very low	25.2	Very low	114 Å²	114	135.4 Å²	135.4	80%	0.797	81%	0.813	S	S	*	*			trans	-105.5	115.5	-176.9	-173	0	0	0	0	112.5	S247	S247-S249 PolarHBondContact O-N 3.46Å; S247-S249 VanDerWaalsContact O-N 3.14Å
250	S	23.8	Very low	25.4	Very low	109 Å²	109	136.8 Å²	136.8	76%	0.762	81%	0.811	S	S	*	*			trans	-168.9	86	160.9	43.5	0	0	0	0	114.7
251	T	26.1	Very low	25.4	Very low	147 Å²	147	138.6 Å²	138.6	90%	0.902	81%	0.81	S	S	*	*				-162.4	143.5	126.2	5.5	0	0	0	0	111.1
252	I	22.7	Very low	25.5	Very low	158 Å²	158	142.5 Å²	142.5	81%	0.81	82%	0.816	S	S	*	*			trans	-100.8	117.6	179.1	-61.9	168	0	0	0	108.7
253	T	26.2	Very low	25.5	Very low	139 Å²	139	139.9 Å²	139.9	85%	0.853	81%	0.811	S	S	*	*			trans	-139.3	132.7	156.5	46.1	0	0	0	0	109.5
254	T	22.4	Very low	25.5	Very low	133 Å²	133	138.7 Å²	138.7	82%	0.816	81%	0.805	S	S	*	*			trans	-93.7	125.8	-172	50.8	0	0	0	0	112.9
255	S	27.2	Very low	25.6	Very low	116 Å²	116	139 Å²	139	81%	0.811	81%	0.807	S	S	*	*			trans	-157	140.2	150.4	51.2	0	0	0	0	109.1
256	N	25.2	Very low	25.9	Very low	141 Å²	141	138.4 Å²	138.4	75%	0.754	80%	0.802	S	S	*	*			trans	-74.5	157.3	179.5	-39	-37.1	0	0	0	110.3
257	D	27.4	Very low	26.2	Very low	166 Å²	166	137.3 Å²	137.3	89%	0.888	80%	0.799	S	S	*	*				-156.5	141.8	111	-89.7	-31	0	0	0	108.9
258	D	24.7	Very low	27.1	Very low	156 Å²	156	137.5 Å²	137.5	83%	0.834	80%	0.796	S	S	*	*			trans	-91	133	177.9	-73.8	-71	0	0	0	110.2
259	D	28.4	Very low	28.5	Very low	165 Å²	165	135.3 Å²	135.3	88%	0.882	78%	0.777	S	S	*	*			trans	-150.3	160.6	152.6	-138.9	-26.6	0	0	0	113.5
260	L	28.7	Very low	30.5	Very low	139 Å²	139	133 Å²	133	73%	0.728	76%	0.759	S	S	*	*			trans	-103.6	115.3	-143.2	-128.9	75.8	0	0	0	116.6	K262	L260-K262 PolarHBondContact O-N 3.35Å
261	I	25.9	Very low	33.2	Very low	143 Å²	143	129.8 Å²	129.8	73%	0.733	73%	0.73	S	S	*	*				30.2	90.9	127.4	-48.5	174.4	0	0	0	116.7
262	K	26.2	Very low	36	Very low	187 Å²	187	129 Å²	129	81%	0.813	71%	0.71	S	S	*	*				174.8	92.9	127.2	-98.1	163.9	-175.5	177.4	0	112.8	L260	L260-K262 PolarHBondContact O-N 3.35Å
263	V	27.2	Very low	39.1	Very low	132 Å²	132	122.3 Å²	122.3	80%	0.8	68%	0.675	S	S	*	*			trans	-103.8	126.5	149.4	177.2	0	0	0	0	106.6	N265	V263-N265 PolarHBondContact O-N 2.95Å
264	N	25.8	Very low	42	Very low	135 Å²	135	115.7 Å²	115.7	72%	0.722	63%	0.634	S	S	*	*			trans	-73.6	108.1	175.4	-72.9	-25.5	0	0	0	108.6	T266	N264-T266 PolarHBondContact O-N 3.34Å
265	N	25.1	Very low	45	Very low	146 Å²	146	111.9 Å²	111.9	78%	0.781	61%	0.609	S	S	*	*			trans	-66.9	86.8	161.8	-75.7	0.3	0	0	0	108.5	V263 S267	V263-N265 PolarHBondContact O-N 2.95Å; N265-S267 VanDerWaalsContact C-N 3.25Å; N265-S267 PolarHBondContact O-N 2.9Å
266	T	29.7	Very low	47.7	Very low	116 Å²	116	109.5 Å²	109.5	71%	0.712	59%	0.587	S	S	*	*			trans	-65.6	94.1	156.3	49.8	0	0	0	0	106.6	N264 T268	N264-T266 PolarHBondContact O-N 3.34Å; T266-T268 PolarHBondContact O-N 2.73Å
267	S	31.8	Very low	50.6	Low	102 Å²	102	102.8 Å²	102.8	71%	0.713	55%	0.551	S	S	*	*			trans	-58.6	99.6	173.7	-61.7	0	0	0	0	108.9	N265 T269	N265-S267 VanDerWaalsContact C-N 3.25Å; N265-S267 PolarHBondContact O-N 2.9Å; S267-T269 PolarHBondContact O-N 3.36Å
268	T	45.8	Very low	53.3	Low	115 Å²	115	95.1 Å²	95.1	71%	0.706	51%	0.51	S	S	*	.			trans	-64.8	101.7	167.5	46.6	0	0	0	0	106.7	T266 T270	T266-T268 PolarHBondContact O-N 2.73Å; T268-T270 PolarHBondContact O-N 3.29Å
269	T	55	Low	56.1	Low	83 Å²	83	92 Å²	92	51%	0.509	49%	0.49	S	S	.	.			trans	-74.3	75.9	-175.1	2.9	0	0	0	0	110.1	L98 S267 Y314	L98-T269 HydrophobicContact CD1-CG2 3.93Å; L98-T269 HydrophobicContact CD2-CG2 3.66Å; L98-T269 HydrophobicContact CG-CG2 4.4Å; S267-T269 PolarHBondContact O-N 3.36Å; T269-Y314 WeakPolarHBondContact O-CE2 3.5Å
270	T	65	Low	58.7	Low	66 Å²	66	85.2 Å²	85.2	41%	0.405	45%	0.453	S	S	.	.			trans	-58.4	135.4	-176.8	43.1	0	0	0	0	111.8	T99 T268	T99-T270 PolarHBondContact N-O 2.86Å; T268-T270 PolarHBondContact O-N 3.29Å
271	R	81.1	Confident	61	Low	41 Å²	41	78.8 Å²	78.8	16%	0.155	42%	0.419	C	S	.	.			trans	-121	81	179	-66.7	-179.3	-168.6	-86.3	3.3	107.1	I96 L98 R273 I274 D275 Y314	I96-R271 VanDerWaalsContact CG2-NH1 3.3Å; I96-R271 WeakPolarHBondContact O-CD 3.21Å; I96-R271 WeakPolarHBondContact O-CG 3.37Å; I96-R271 PolarHBondContact O-NH1 3.45Å; L98-R271 HydrophobicContact CD2-CG 3.93Å; R271-R273 PolarHBondContact O-N 3.34Å; R271-I274 HydrophobicContact CB-CB 4.2Å; R271-I274 HydrophobicContact CB-CD1 3.9Å; R271-I274 HydrophobicContact CB-CG1 4.32Å; R271-I274 HydrophobicContact CG-CD1 4.43Å; R271-I274 WeakPolarHBondContact O-CA 3.46Å; R271-I274 PolarHBondContact O-N 3.26Å; R271-D275 PolarHBondContact N-OD2 3.42Å; R271-D275 PolarHBondContact O-N 2.87Å; R271-Y314 HydrophobicContact CB-CE2 4.28Å; R271-Y314 HydrophobicContact CG-CE2 4.01Å; R271-Y314 PolarHBondContact N-OH 2.7Å; R271-Y314 VanDerWaalsContact N-OH 3.11Å
272	R	84.9	Confident	63.1	Low	129 Å²	129	76.5 Å²	76.5	49%	0.487	41%	0.405	S	S	.	.	H	α-helix	trans	-37.6	-43.4	-169.8	171.7	179.6	163.5	98.5	-2.9	115.2	D54 T99 D275 L276	D54-R272 IonicContact OD2-CZ 2.7Å; D54-R272 IonicContact OD2-NE 3.85Å; D54-R272 PolarHBondContact OD2-NE 3.4Å; D54-R272 IonicContact OD2-NH2 3.61Å; D54-R272 PolarHBondContact OD2-NH2 3.22Å; T99-R272 HydrophobicContact CG2-CB 4.29Å; T99-R272 VanDerWaalsContact OG1-CB 3.29Å; T99-R272 WeakPolarHBondContact OG1-CB 3.45Å; T99-R272 PolarHBondContact OG1-N 3.22Å; R272-D275 PolarHBondContact N-OD2 3.44Å; R272-D275 PolarHBondContact O-N 2.98Å; R272-L276 WeakPolarHBondContact O-CG 3.17Å; R272-L276 PolarHBondContact O-N 3.45Å
273	R	88	Confident	64.7	Low	18 Å²	18	75.4 Å²	75.4	7%	0.068	40%	0.397	C	S	.	.	H	α-helix	trans	-73.9	-37.9	-178.2	-66.4	165.1	-173.3	119	19.4	112.9	P50 D54 I57 G94 I95 E97 R271 L276 L277	P50-R273 VanDerWaalsContact CA-NH2 3.29Å; P50-R273 PolarHBondContact O-NH2 2.82Å; P50-R273 VanDerWaalsContact O-NH2 3.11Å; D54-R273 IonicContact OD1-CZ 3.55Å; D54-R273 IonicContact OD1-NE 3.88Å; D54-R273 PolarHBondContact OD1-NE 2.92Å; D54-R273 IonicContact OD1-NH2 2.76Å; D54-R273 PolarHBondContact OD1-NH2 3.37Å; I57-R273 HydrophobicContact CG1-CB 4.28Å; I57-R273 HydrophobicContact CG1-CG 4.44Å; G94-R273 PolarHBondContact O-NH1 2.92Å; I95-R273 HydrophobicContact CG2-CB 4.32Å; I95-R273 WeakPolarHBondContact O-CB 3.24Å; E97-R273 IonicContact OE2-NH1 3.54Å; R271-R273 PolarHBondContact O-N 3.34Å; R273-L276 PolarHBondContact O-N 3.24Å; R273-L277 WeakPolarHBondContact O-CG 3.33Å; R273-L277 PolarHBondContact O-N 2.98Å; R273-L277 VanDerWaalsContact O-N 3.16Å
274	I	87.1	Confident	66.1	Low	1 Å²	1	70.6 Å²	70.6	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-70.1	-39.7	171	-59.4	168.1	0	0	0	109.7	I96 R271 L276 L277 L278 I311 Y314	I96-I274 HydrophobicContact CG1-CD1 4.24Å; R271-I274 HydrophobicContact CB-CB 4.2Å; R271-I274 HydrophobicContact CB-CD1 3.9Å; R271-I274 HydrophobicContact CB-CG1 4.32Å; R271-I274 HydrophobicContact CG-CD1 4.43Å; R271-I274 WeakPolarHBondContact O-CA 3.46Å; R271-I274 PolarHBondContact O-N 3.26Å; I274-L276 PolarHBondContact O-N 3.15Å; I274-L277 PolarHBondContact O-N 3.14Å; I274-L277 VanDerWaalsContact O-N 3.11Å; I274-L278 HydrophobicContact CG2-CD1 3.98Å; I274-L278 HydrophobicContact CG2-CG 4.2Å; I274-L278 WeakPolarHBondContact O-CG 3.35Å; I274-L278 PolarHBondContact O-N 3.39Å; I274-I311 HydrophobicContact CD1-CD1 3.43Å; I274-I311 VanDerWaalsContact CD1-CD1 3.43Å; I274-I311 HydrophobicContact CG1-CD1 4.33Å; I274-Y314 HydrophobicContact CB-CD1 4.5Å; I274-Y314 HydrophobicContact CB-CE1 4.27Å; I274-Y314 HydrophobicContact CG2-CD1 3.68Å; I274-Y314 HydrophobicContact CG2-CE1 3.78Å
275	D	85	Confident	67.4	Low	53 Å²	53	71.7 Å²	71.7	28%	0.283	38%	0.375	S	S	.	.	H	α-helix	trans	-60.2	-35	176.1	-61.4	-38.6	0	0	0	111.5	R271 R272 H279 Y314	R271-D275 PolarHBondContact N-OD2 3.42Å; R271-D275 PolarHBondContact O-N 2.87Å; R272-D275 PolarHBondContact N-OD2 3.44Å; R272-D275 PolarHBondContact O-N 2.98Å; D275-H279 WeakPolarHBondContact O-CB 3.34Å; D275-H279 PolarHBondContact O-N 3.47Å; D275-Y314 VanDerWaalsContact CG-OH 3.25Å; D275-Y314 WeakPolarHBondContact OD1-CE1 3.29Å; D275-Y314 PolarHBondContact OD1-OH 3.24Å; D275-Y314 PolarHBondContact OD2-OH 3Å
276	L	83.9	Confident	68.9	Low	65 Å²	65	71.5 Å²	71.5	34%	0.34	37%	0.369	S	S	.	.	H	α-helix	trans	-66.2	-46.4	170.3	-73.3	167.3	0	0	0	112.9	I57 R272 R273 I274 L278 H279 F280	I57-L276 HydrophobicContact CG2-CB 4Å; I57-L276 HydrophobicContact CG2-CD1 4.27Å; R272-L276 WeakPolarHBondContact O-CG 3.17Å; R272-L276 PolarHBondContact O-N 3.45Å; R273-L276 PolarHBondContact O-N 3.24Å; I274-L276 PolarHBondContact O-N 3.15Å; L276-L278 PolarHBondContact O-N 3.03Å; L276-H279 WeakPolarHBondContact O-CB 3.45Å; L276-H279 PolarHBondContact O-N 3.22Å; L276-F280 PolarHBondContact O-N 3.17Å
277	L	86.8	Confident	70.5	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-62.2	-31.5	176.1	-67.8	171.6	0	0	0	112.6	I57 V60 R273 I274 V296 L299 L300 L303	I57-L277 HydrophobicContact CD1-CD1 4.03Å; I57-L277 HydrophobicContact CD1-CD2 4.22Å; I57-L277 HydrophobicContact CD1-CG 4.23Å; I57-L277 HydrophobicContact CG2-CD2 4.24Å; I57-L277 HydrophobicContact CG2-CG 4.22Å; V60-L277 HydrophobicContact CG1-CD2 4.24Å; R273-L277 WeakPolarHBondContact O-CG 3.33Å; R273-L277 PolarHBondContact O-N 2.98Å; R273-L277 VanDerWaalsContact O-N 3.16Å; I274-L277 PolarHBondContact O-N 3.14Å; I274-L277 VanDerWaalsContact O-N 3.11Å; L277-V296 HydrophobicContact CB-CG1 4.45Å; L277-V296 HydrophobicContact CD2-CG1 4.22Å; L277-V296 HydrophobicContact CD2-CG2 4.29Å; L277-L299 HydrophobicContact CD1-CD2 3.88Å; L277-L299 HydrophobicContact CD1-CG 4.23Å; L277-L299 HydrophobicContact CD2-CD2 3.94Å; L277-L300 HydrophobicContact CB-CD2 4.31Å; L277-L300 HydrophobicContact CD1-CD2 4.25Å; L277-L303 HydrophobicContact CD1-CD1 3.93Å
278	L	83.8	Confident	72.4	Confident	5 Å²	5	68.3 Å²	68.3	3%	0.026	35%	0.347	C	S	.	.	H	α-helix	trans	-78.2	-39.1	174.1	-65.1	177.3	0	0	0	111.8	I274 L276 F280 F281 H282 Y314 L315 F321	I274-L278 HydrophobicContact CG2-CD1 3.98Å; I274-L278 HydrophobicContact CG2-CG 4.2Å; I274-L278 WeakPolarHBondContact O-CG 3.35Å; I274-L278 PolarHBondContact O-N 3.39Å; L276-L278 PolarHBondContact O-N 3.03Å; L278-F280 PolarHBondContact O-N 3.3Å; L278-F280 VanDerWaalsContact O-N 3.16Å; L278-F281 PolarHBondContact O-N 3.38Å; L278-H282 WeakPolarHBondContact O-CB 3.26Å; L278-H282 PolarHBondContact O-N 3Å; L278-H282 VanDerWaalsContact O-N 3.09Å; L278-Y314 HydrophobicContact CD1-CD1 4.23Å; L278-Y314 HydrophobicContact CD1-CE1 4.13Å; L278-L315 HydrophobicContact CD2-CD2 3.72Å; L278-F321 HydrophobicContact CD2-CD2 3.59Å; L278-F321 HydrophobicContact CD2-CE2 3.47Å; L278-F321 VanDerWaalsContact CD2-CE2 3.47Å; L278-F321 HydrophobicContact CD2-CZ 4.37Å
279	H	82.5	Confident	74	Confident	91 Å²	91	64.8 Å²	64.8	42%	0.421	32%	0.324	S	S	.	.	H	α-helix	trans	-56.3	-30	176.5	-174.1	-58.9	0	0	0	112.8	D275 L276 F281 H282 Y283	D275-H279 WeakPolarHBondContact O-CB 3.34Å; D275-H279 PolarHBondContact O-N 3.47Å; L276-H279 WeakPolarHBondContact O-CB 3.45Å; L276-H279 PolarHBondContact O-N 3.22Å; H279-F281 VanDerWaalsContact C-N 3.35Å; H279-F281 PolarHBondContact O-N 3.07Å; H279-H282 PolarHBondContact O-N 3.31Å; H279-H282 VanDerWaalsContact O-N 3.1Å; H279-Y283 AromaticContact CD2-CD2 3.75Å; H279-Y283 AromaticContact CD2-CE2 3.76Å; H279-Y283 AromaticContact CE1-CD2 3.19Å; H279-Y283 WeakPolarHBondContact CE1-CD2 3.47Å; H279-Y283 AromaticContact CE1-CE2 3.73Å; H279-Y283 AromaticContact CE1-CG 3.46Å; H279-Y283 VanDerWaalsContact CE1-CG 3.46Å; H279-Y283 AromaticContact CG-CD2 3.83Å; H279-Y283 AromaticContact ND1-CD2 3.5Å; H279-Y283 WeakPolarHBondContact ND1-CD2 3.25Å; H279-Y283 AromaticContact ND1-CG 3.93Å; H279-Y283 AromaticContact NE2-CD2 3.36Å; H279-Y283 WeakPolarHBondContact NE2-CD2 3.16Å; H279-Y283 AromaticContact NE2-CE2 3.37Å; H279-Y283 WeakPolarHBondContact NE2-CE2 3.38Å; H279-Y283 AromaticContact NE2-CG 3.98Å; H279-Y283 PolarHBondContact O-N 3.25Å; H279-Y283 VanDerWaalsContact O-N 3.15Å
280	F	83.3	Confident	75.1	Confident	23 Å²	23	64.8 Å²	64.8	10%	0.101	33%	0.326	C	S	.	.	H	α-helix	trans	-52.5	-47.8	172.4	175.9	-104.4	0	0	0	112.7	S61 L276 L278 S284 V288 A293 V296	S61-F280 VanDerWaalsContact O-CD2 3.24Å; S61-F280 WeakPolarHBondContact O-CD2 3.47Å; L276-F280 PolarHBondContact O-N 3.17Å; L278-F280 PolarHBondContact O-N 3.3Å; L278-F280 VanDerWaalsContact O-N 3.16Å; F280-S284 PolarHBondContact O-OG 2.74Å; F280-V288 HydrophobicContact CD1-CG1 4.49Å; F280-V288 HydrophobicContact CE1-CG1 3.42Å; F280-V288 VanDerWaalsContact CE1-CG1 3.42Å; F280-V288 HydrophobicContact CE2-CG1 4.35Å; F280-V288 HydrophobicContact CZ-CG1 3.34Å; F280-A293 HydrophobicContact CE1-CB 4.22Å; F280-A293 HydrophobicContact CZ-CB 4.43Å; F280-V296 HydrophobicContact CD1-CB 4.11Å; F280-V296 HydrophobicContact CD1-CG1 4.07Å; F280-V296 HydrophobicContact CD1-CG2 3.93Å; F280-V296 HydrophobicContact CE1-CB 4.33Å; F280-V296 HydrophobicContact CE1-CG2 4.23Å; F280-V296 HydrophobicContact CG-CG2 4.07Å
281	F	76.8	Confident	75.9	Confident	3 Å²	3	64.1 Å²	64.1	1%	0.013	32%	0.319	C	S	.	.	H	α-helix	trans	-80.4	-22.3	174.9	-55.5	-75.3	0	0	0	112.9	L278 H279 S284 V296 L300 Q324 L325 V334 L337	L278-F281 PolarHBondContact O-N 3.38Å; H279-F281 VanDerWaalsContact C-N 3.35Å; H279-F281 PolarHBondContact O-N 3.07Å; F281-S284 PolarHBondContact O-OG 2.85Å; F281-V296 HydrophobicContact CE2-CG1 3.51Å; F281-V296 HydrophobicContact CZ-CB 4.41Å; F281-V296 HydrophobicContact CZ-CG1 3.79Å; F281-L300 HydrophobicContact CE2-CD1 3.87Å; F281-Q324 HydrophobicContact CB-CB 3.96Å; F281-L325 HydrophobicContact CD1-CD2 3.94Å; F281-L325 HydrophobicContact CD2-CD2 4.21Å; F281-L325 HydrophobicContact CE1-CD2 4.05Å; F281-L325 HydrophobicContact CE2-CD2 4.3Å; F281-L325 HydrophobicContact CG-CD2 4.02Å; F281-L325 HydrophobicContact CZ-CD2 4.23Å; F281-V334 HydrophobicContact CE1-CG2 3.98Å; F281-L337 HydrophobicContact CZ-CD2 4.42Å
282	H	69.8	Low	76	Confident	95 Å²	95	62.2 Å²	62.2	44%	0.44	31%	0.313	S	S	.	.	H	α-helix	trans	-80.6	-23.5	-171.1	-141.7	-38	0	0	0	114.4	L278 H279 Q324	L278-H282 WeakPolarHBondContact O-CB 3.26Å; L278-H282 PolarHBondContact O-N 3Å; L278-H282 VanDerWaalsContact O-N 3.09Å; H279-H282 PolarHBondContact O-N 3.31Å; H279-H282 VanDerWaalsContact O-N 3.1Å; H282-Q324 VanDerWaalsContact CA-OE1 3.32Å; H282-Q324 VanDerWaalsContact CB-OE1 3.29Å; H282-Q324 PolarHBondContact CD2-NE2 3.41Å; H282-Q324 VanDerWaalsContact CD2-NE2 3.33Å; H282-Q324 PolarHBondContact CD2-OE1 2.98Å; H282-Q324 PolarHBondContact CE1-NE2 2.9Å; H282-Q324 VanDerWaalsContact CG-CD 3.47Å; H282-Q324 PolarHBondContact NE2-NE2 2.9Å
283	Y	60.1	Low	76.1	Confident	165 Å²	165	56.1 Å²	56.1	65%	0.647	29%	0.289	S	S	*	.	S	Bend	trans	-115.1	-2.6	-177.6	-87.6	-98.2	0	0	0	114.5	H279 N285	H279-Y283 AromaticContact CD2-CD2 3.75Å; H279-Y283 AromaticContact CD2-CE2 3.76Å; H279-Y283 AromaticContact CE1-CD2 3.19Å; H279-Y283 WeakPolarHBondContact CE1-CD2 3.47Å; H279-Y283 AromaticContact CE1-CE2 3.73Å; H279-Y283 AromaticContact CE1-CG 3.46Å; H279-Y283 VanDerWaalsContact CE1-CG 3.46Å; H279-Y283 AromaticContact CG-CD2 3.83Å; H279-Y283 AromaticContact ND1-CD2 3.5Å; H279-Y283 WeakPolarHBondContact ND1-CD2 3.25Å; H279-Y283 AromaticContact ND1-CG 3.93Å; H279-Y283 AromaticContact NE2-CD2 3.36Å; H279-Y283 WeakPolarHBondContact NE2-CD2 3.16Å; H279-Y283 AromaticContact NE2-CE2 3.37Å; H279-Y283 WeakPolarHBondContact NE2-CE2 3.38Å; H279-Y283 AromaticContact NE2-CG 3.98Å; H279-Y283 PolarHBondContact O-N 3.25Å; H279-Y283 VanDerWaalsContact O-N 3.15Å; Y283-N285 VanDerWaalsContact C-N 3.25Å; Y283-N285 PolarHBondContact O-N 3.04Å
284	S	58	Low	76.1	Confident	30 Å²	30	57.4 Å²	57.4	21%	0.21	30%	0.301	C	S	.	.			trans	-73.7	73.8	178	54.2	0	0	0	0	112.4	F280 F281 Q286 V288	F280-S284 PolarHBondContact O-OG 2.74Å; F281-S284 PolarHBondContact O-OG 2.85Å; S284-Q286 PolarHBondContact O-N 2.98Å; S284-V288 WeakPolarHBondContact OG-CG2 3.26Å
285	N	51.7	Low	76.2	Confident	159 Å²	159	58 Å²	58	85%	0.85	30%	0.304	S	S	*	.			trans	-75.3	19.3	163.3	-72.5	-32.3	0	0	0	112.4	Y283	Y283-N285 VanDerWaalsContact C-N 3.25Å; Y283-N285 PolarHBondContact O-N 3.04Å
286	Q	56.4	Low	76.5	Confident	142 Å²	142	55.4 Å²	55.4	66%	0.664	29%	0.29	S	S	*	.	S	Bend	trans	-135.5	154.6	176.2	-71.3	-171	4.6	0	0	107.3	S284 V288	S284-Q286 PolarHBondContact O-N 2.98Å; Q286-V288 PolarHBondContact O-N 3.44Å; Q286-V288 VanDerWaalsContact O-N 3.12Å
287	P	63.6	Low	76.8	Confident	130 Å²	130	52.7 Å²	52.7	84%	0.844	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-54.4	120.9	178.6	22.6	-34.3	0	0	0	110.6	N289	P287-N289 PolarHBondContact O-N 2.94Å
288	V	72.2	Confident	77	Confident	20 Å²	20	57.2 Å²	57.2	12%	0.121	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-61.8	127.1	-175.5	-177.9	0	0	0	0	109.5	F280 S284 Q286 P290 A293 S328	F280-V288 HydrophobicContact CD1-CG1 4.49Å; F280-V288 HydrophobicContact CE1-CG1 3.42Å; F280-V288 VanDerWaalsContact CE1-CG1 3.42Å; F280-V288 HydrophobicContact CE2-CG1 4.35Å; F280-V288 HydrophobicContact CZ-CG1 3.34Å; S284-V288 WeakPolarHBondContact OG-CG2 3.26Å; Q286-V288 PolarHBondContact O-N 3.44Å; Q286-V288 VanDerWaalsContact O-N 3.12Å; V288-P290 WeakPolarHBondContact O-CD 3.26Å; V288-P290 VanDerWaalsContact O-N 3.16Å; V288-A293 HydrophobicContact CG1-CB 3.9Å; V288-S328 VanDerWaalsContact CG2-CB 3.4Å
289	N	78.5	Confident	77.4	Confident	41 Å²	41	57 Å²	57	22%	0.219	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-58.8	120.1	177	-177.2	-48.5	0	0	0	109.6	T63 P287 L291 S292 A293	T63-N289 HydrophobicContact CG2-CB 3.45Å; T63-N289 VanDerWaalsContact CG2-CB 3.45Å; P287-N289 PolarHBondContact O-N 2.94Å; N289-L291 PolarHBondContact O-N 3.1Å; N289-L291 VanDerWaalsContact O-N 3.16Å; N289-L291 WeakPolarHBondContact OD1-CB 3.25Å; N289-L291 PolarHBondContact OD1-N 3.25Å; N289-S292 PolarHBondContact O-N 3.09Å; N289-S292 PolarHBondContact OD1-N 3.01Å; N289-A293 WeakPolarHBondContact O-CB 3.12Å; N289-A293 PolarHBondContact O-N 3.14Å
290	P	78.1	Confident	77.8	Confident	83 Å²	83	52.7 Å²	52.7	54%	0.539	27%	0.272	S	S	.	.	H	α-helix	trans	-66.8	-20.6	-171.6	26.8	-35.4	0	0	0	113.1	V288 S294	V288-P290 WeakPolarHBondContact O-CD 3.26Å; V288-P290 VanDerWaalsContact O-N 3.16Å; P290-S294 PolarHBondContact O-N 3.41Å; P290-S294 VanDerWaalsContact O-N 3.09Å
291	L	81.9	Confident	78.2	Confident	52 Å²	52	53 Å²	53	27%	0.272	28%	0.275	S	S	.	.	H	α-helix	trans	-78.2	-49.2	179.3	-155.3	61.8	0	0	0	110.9	Y74 N289 A293 S294 F295	Y74-L291 HydrophobicContact CD2-CD2 3.49Å; Y74-L291 VanDerWaalsContact CD2-CD2 3.49Å; Y74-L291 HydrophobicContact CD2-CG 4.04Å; Y74-L291 HydrophobicContact CE2-CD1 3.73Å; Y74-L291 HydrophobicContact CE2-CD2 3.52Å; Y74-L291 HydrophobicContact CE2-CG 3.69Å; Y74-L291 HydrophobicContact CG-CD2 4.45Å; N289-L291 PolarHBondContact O-N 3.1Å; N289-L291 VanDerWaalsContact O-N 3.16Å; N289-L291 WeakPolarHBondContact OD1-CB 3.25Å; N289-L291 PolarHBondContact OD1-N 3.25Å; L291-A293 VanDerWaalsContact C-N 3.28Å; L291-A293 PolarHBondContact O-N 3.16Å; L291-S294 PolarHBondContact O-N 3.21Å; L291-S294 PolarHBondContact O-OG 3.17Å; L291-F295 HydrophobicContact CG-CE2 4.3Å; L291-F295 VanDerWaalsContact O-CD2 3.26Å; L291-F295 WeakPolarHBondContact O-CD2 3.39Å; L291-F295 PolarHBondContact O-N 3.18Å
292	S	84.5	Confident	78.8	Confident	2 Å²	2	54 Å²	54	1%	0.014	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-36	171.5	-51.3	0	0	0	0	111	R62 P64 N289 S294 F295 V296	R62-S292 PolarHBondContact O-OG 2.96Å; P64-S292 WeakPolarHBondContact CD-OG 3.44Å; N289-S292 PolarHBondContact O-N 3.09Å; N289-S292 PolarHBondContact OD1-N 3.01Å; S292-S294 PolarHBondContact O-N 3.33Å; S292-F295 PolarHBondContact O-N 3.2Å; S292-V296 WeakPolarHBondContact O-CG2 3.41Å; S292-V296 PolarHBondContact O-N 3.06Å
293	A	86.6	Confident	79.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-40.6	174.8	0	0	0	0	0	113	F280 V288 N289 L291 S297 A333	F280-A293 HydrophobicContact CE1-CB 4.22Å; F280-A293 HydrophobicContact CZ-CB 4.43Å; V288-A293 HydrophobicContact CG1-CB 3.9Å; N289-A293 WeakPolarHBondContact O-CB 3.12Å; N289-A293 PolarHBondContact O-N 3.14Å; L291-A293 VanDerWaalsContact C-N 3.28Å; L291-A293 PolarHBondContact O-N 3.16Å; A293-S297 VanDerWaalsContact O-CB 3.27Å; A293-S297 WeakPolarHBondContact O-CB 3.17Å; A293-S297 PolarHBondContact O-N 2.97Å; A293-S297 PolarHBondContact O-OG 3.43Å; A293-S297 VanDerWaalsContact O-OG 3.14Å; A293-A333 HydrophobicContact CB-CB 4.15Å
294	S	87.2	Confident	81.2	Confident	45 Å²	45	41.6 Å²	41.6	32%	0.315	23%	0.227	S	C	.	.	H	α-helix	trans	-71.9	-33.6	178.5	71.8	0	0	0	0	112.7	P290 L291 S292 S297 R298	P290-S294 PolarHBondContact O-N 3.41Å; P290-S294 VanDerWaalsContact O-N 3.09Å; L291-S294 PolarHBondContact O-N 3.21Å; L291-S294 PolarHBondContact O-OG 3.17Å; S292-S294 PolarHBondContact O-N 3.33Å; S294-S297 PolarHBondContact O-OG 2.56Å; S294-R298 WeakPolarHBondContact O-CB 3.2Å; S294-R298 PolarHBondContact O-N 2.84Å
295	F	90.5	Very high	82.6	Confident	13 Å²	13	43.9 Å²	43.9	6%	0.057	24%	0.237	C	C	.	.	H	α-helix	trans	-67.6	-45.1	172.1	-62.1	-44	0	0	0	112.4	V60 Y74 C81 L291 S292 L299	V60-F295 HydrophobicContact CG1-CB 3.97Å; Y74-F295 HydrophobicContact CD2-CE2 4.15Å; Y74-F295 HydrophobicContact CD2-CZ 4.04Å; Y74-F295 HydrophobicContact CE2-CE2 4.03Å; Y74-F295 AromaticContact CE2-CZ 3.56Å; Y74-F295 HydrophobicContact CE2-CZ 3.56Å; C81-F295 HydrophobicContact CB-CB 4.14Å; C81-F295 HydrophobicContact CB-CD1 3.73Å; C81-F295 HydrophobicContact CB-CE1 4.41Å; C81-F295 HydrophobicContact CB-CG 4.15Å; C81-F295 PolarHBondContact SG-O 3.38Å; C81-F295 VanDerWaalsContact SG-O 3.4Å; L291-F295 HydrophobicContact CG-CE2 4.3Å; L291-F295 VanDerWaalsContact O-CD2 3.26Å; L291-F295 WeakPolarHBondContact O-CD2 3.39Å; L291-F295 PolarHBondContact O-N 3.18Å; S292-F295 PolarHBondContact O-N 3.2Å; F295-L299 WeakPolarHBondContact O-CB 2.9Å; F295-L299 PolarHBondContact O-N 3.26Å; F295-L299 VanDerWaalsContact O-N 3.11Å
296	V	91.1	Very high	84.3	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67.6	-42.3	177.9	174.7	0	0	0	0	111	V60 L277 F280 F281 S292 L299 L300	V60-V296 HydrophobicContact CG1-CG2 3.92Å; L277-V296 HydrophobicContact CB-CG1 4.45Å; L277-V296 HydrophobicContact CD2-CG1 4.22Å; L277-V296 HydrophobicContact CD2-CG2 4.29Å; F280-V296 HydrophobicContact CD1-CB 4.11Å; F280-V296 HydrophobicContact CD1-CG1 4.07Å; F280-V296 HydrophobicContact CD1-CG2 3.93Å; F280-V296 HydrophobicContact CE1-CB 4.33Å; F280-V296 HydrophobicContact CE1-CG2 4.23Å; F280-V296 HydrophobicContact CG-CG2 4.07Å; F281-V296 HydrophobicContact CE2-CG1 3.51Å; F281-V296 HydrophobicContact CZ-CB 4.41Å; F281-V296 HydrophobicContact CZ-CG1 3.79Å; S292-V296 WeakPolarHBondContact O-CG2 3.41Å; S292-V296 PolarHBondContact O-N 3.06Å; V296-L299 PolarHBondContact O-N 3.11Å; V296-L300 HydrophobicContact CG1-CD1 4.06Å; V296-L300 HydrophobicContact CG1-CG 4.42Å; V296-L300 WeakPolarHBondContact O-CB 3.05Å; V296-L300 WeakPolarHBondContact O-CG 3.44Å; V296-L300 PolarHBondContact O-N 2.82Å
297	S	90.1	Very high	85.8	Confident	7 Å²	7	34.6 Å²	34.6	5%	0.049	19%	0.187	C	C	.	.	H	α-helix	trans	-66.8	-45.4	177.7	72.4	0	0	0	0	112	A293 S294 L299 L300 I301 A333	A293-S297 VanDerWaalsContact O-CB 3.27Å; A293-S297 WeakPolarHBondContact O-CB 3.17Å; A293-S297 PolarHBondContact O-N 2.97Å; A293-S297 PolarHBondContact O-OG 3.43Å; A293-S297 VanDerWaalsContact O-OG 3.14Å; S294-S297 PolarHBondContact O-OG 2.56Å; S297-L299 VanDerWaalsContact C-N 3.27Å; S297-L299 PolarHBondContact O-N 3.09Å; S297-L300 PolarHBondContact O-N 2.87Å; S297-L300 VanDerWaalsContact O-N 3.16Å; S297-I301 WeakPolarHBondContact O-CB 3.44Å; S297-I301 WeakPolarHBondContact O-CD1 3.43Å; S297-I301 WeakPolarHBondContact O-CG1 3.3Å; S297-I301 PolarHBondContact O-N 2.9Å; S297-A333 WeakPolarHBondContact CB-O 3.39Å; S297-A333 PolarHBondContact OG-O 3.18Å
298	R	90.9	Very high	86.8	Confident	96 Å²	96	28.5 Å²	28.5	36%	0.362	15%	0.147	S	C	.	.	H	α-helix	trans	-56.7	-42.1	175.9	-169.5	175.6	78.6	169.6	3.7	111.6	C81 E82 S294 H302	C81-R298 VanDerWaalsContact C-NH2 3.34Å; C81-R298 PolarHBondContact SG-NE 2.93Å; C81-R298 PolarHBondContact SG-NH2 3.44Å; E82-R298 VanDerWaalsContact CG-NH2 3.28Å; E82-R298 VanDerWaalsContact N-NH2 3.17Å; S294-R298 WeakPolarHBondContact O-CB 3.2Å; S294-R298 PolarHBondContact O-N 2.84Å; R298-H302 WeakPolarHBondContact O-CB 3.46Å; R298-H302 PolarHBondContact O-N 2.92Å
299	L	92.7	Very high	87.3	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68.8	-42.1	176.6	-177.6	55.8	0	0	0	112.5	I57 V60 L84 T85 I95 L277 F295 V296 S297 H302 L303	I57-L299 HydrophobicContact CD1-CD2 3.72Å; V60-L299 HydrophobicContact CG1-CD2 4.26Å; L84-L299 HydrophobicContact CB-CD1 3.78Å; L84-L299 HydrophobicContact CB-CD2 4.28Å; L84-L299 HydrophobicContact CD1-CD2 3.87Å; T85-L299 HydrophobicContact CG2-CD1 4.06Å; I95-L299 HydrophobicContact CD1-CD1 4.5Å; L277-L299 HydrophobicContact CD1-CD2 3.88Å; L277-L299 HydrophobicContact CD1-CG 4.23Å; L277-L299 HydrophobicContact CD2-CD2 3.94Å; F295-L299 WeakPolarHBondContact O-CB 2.9Å; F295-L299 PolarHBondContact O-N 3.26Å; F295-L299 VanDerWaalsContact O-N 3.11Å; V296-L299 PolarHBondContact O-N 3.11Å; S297-L299 VanDerWaalsContact C-N 3.27Å; S297-L299 PolarHBondContact O-N 3.09Å; L299-H302 PolarHBondContact O-N 2.93Å; L299-L303 HydrophobicContact CD1-CD1 4.15Å; L299-L303 HydrophobicContact CD1-CG 4.18Å; L299-L303 HydrophobicContact CG-CD1 3.96Å; L299-L303 HydrophobicContact CG-CG 4.46Å; L299-L303 WeakPolarHBondContact O-CB 3.26Å; L299-L303 VanDerWaalsContact O-CG 3.25Å; L299-L303 WeakPolarHBondContact O-CG 3.46Å; L299-L303 PolarHBondContact O-N 3.06Å
300	L	90.8	Very high	87.8	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-63.7	-41.5	175.7	-74.1	176.2	0	0	0	112.3	L277 F281 V296 S297 L303 T304 L337	L277-L300 HydrophobicContact CB-CD2 4.31Å; L277-L300 HydrophobicContact CD1-CD2 4.25Å; F281-L300 HydrophobicContact CE2-CD1 3.87Å; V296-L300 HydrophobicContact CG1-CD1 4.06Å; V296-L300 HydrophobicContact CG1-CG 4.42Å; V296-L300 WeakPolarHBondContact O-CB 3.05Å; V296-L300 WeakPolarHBondContact O-CG 3.44Å; V296-L300 PolarHBondContact O-N 2.82Å; S297-L300 PolarHBondContact O-N 2.87Å; S297-L300 VanDerWaalsContact O-N 3.16Å; L300-L303 PolarHBondContact O-N 3.11Å; L300-T304 PolarHBondContact O-N 3.31Å; L300-T304 PolarHBondContact O-OG1 3.14Å; L300-T304 VanDerWaalsContact O-OG1 3.12Å; L300-L337 HydrophobicContact CB-CD1 3.99Å; L300-L337 HydrophobicContact CD1-CD2 4.18Å
301	I	89.9	Confident	88.3	Confident	30 Å²	30	28.6 Å²	28.6	15%	0.154	14%	0.144	C	C	.	.	H	α-helix	trans	-59.4	-47.7	175.3	-67.6	160.3	0	0	0	110.4	S297 T304 L305 L337 Q340	S297-I301 WeakPolarHBondContact O-CB 3.44Å; S297-I301 WeakPolarHBondContact O-CD1 3.43Å; S297-I301 WeakPolarHBondContact O-CG1 3.3Å; S297-I301 PolarHBondContact O-N 2.9Å; I301-T304 WeakPolarHBondContact CA-OG1 3.47Å; I301-T304 PolarHBondContact O-N 2.83Å; I301-T304 PolarHBondContact O-OG1 3.45Å; I301-L305 PolarHBondContact O-N 3.44Å; I301-L337 HydrophobicContact CD1-CD1 4.39Å; I301-L337 HydrophobicContact CG1-CD1 3.71Å; I301-Q340 HydrophobicContact CB-CB 4.5Å; I301-Q340 HydrophobicContact CD1-CB 3.74Å; I301-Q340 HydrophobicContact CD1-CG 3.95Å; I301-Q340 HydrophobicContact CG1-CB 3.75Å; I301-Q340 HydrophobicContact CG1-CG 4.47Å; I301-Q340 HydrophobicContact CG2-CB 3.9Å; I301-Q340 HydrophobicContact CG2-CG 4.41Å
302	H	90.7	Very high	88.6	Confident	22 Å²	22	26.1 Å²	26.1	10%	0.102	13%	0.131	C	C	.	.	H	α-helix	trans	-63.2	-44.9	177.2	-174	75.9	0	0	0	111.5	T85 D87 R298 L299 T304 L305 H306	T85-H302 HydrophobicContact CG2-CB 3.9Å; T85-H302 PolarHBondContact O-CE1 3.49Å; D87-H302 IonicContact OD1-CE1 3.13Å; D87-H302 PolarHBondContact OD1-CE1 2.99Å; R298-H302 WeakPolarHBondContact O-CB 3.46Å; R298-H302 PolarHBondContact O-N 2.92Å; L299-H302 PolarHBondContact O-N 2.93Å; H302-T304 VanDerWaalsContact C-N 3.32Å; H302-T304 PolarHBondContact O-N 2.96Å; H302-L305 PolarHBondContact O-N 2.7Å; H302-L305 VanDerWaalsContact O-N 3.09Å; H302-H306 AromaticContact CE1-CD2 3.32Å; H302-H306 PolarHBondContact CE1-CD2 3.36Å; H302-H306 AromaticContact CE1-NE2 3.33Å; H302-H306 PolarHBondContact CE1-NE2 3.39Å; H302-H306 VanDerWaalsContact CE1-NE2 3.33Å; H302-H306 AromaticContact CG-CD2 3.9Å; H302-H306 AromaticContact ND1-CD2 3.36Å; H302-H306 PolarHBondContact ND1-CD2 3.17Å; H302-H306 AromaticContact ND1-NE2 3.41Å; H302-H306 PolarHBondContact ND1-NE2 3.31Å; H302-H306 AromaticContact NE2-CD2 3.85Å; H302-H306 PolarHBondContact O-CD2 3.27Å; H302-H306 VanDerWaalsContact O-CD2 3.25Å; H302-H306 PolarHBondContact O-N 3.45Å
303	L	90.3	Very high	88.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.8	-39.4	174.7	-73.2	166.9	0	0	0	112.1	L92 I95 I96 L277 L299 L300 R307 I311	L92-L303 HydrophobicContact CD2-CD2 3.89Å; I95-L303 HydrophobicContact CB-CD2 4.34Å; I95-L303 HydrophobicContact CD1-CD2 4.29Å; I95-L303 HydrophobicContact CG2-CD1 3.97Å; I95-L303 HydrophobicContact CG2-CD2 3.93Å; I96-L303 HydrophobicContact CD1-CD2 4.36Å; I96-L303 HydrophobicContact CG1-CD2 4.39Å; L277-L303 HydrophobicContact CD1-CD1 3.93Å; L299-L303 HydrophobicContact CD1-CD1 4.15Å; L299-L303 HydrophobicContact CD1-CG 4.18Å; L299-L303 HydrophobicContact CG-CD1 3.96Å; L299-L303 HydrophobicContact CG-CG 4.46Å; L299-L303 WeakPolarHBondContact O-CB 3.26Å; L299-L303 VanDerWaalsContact O-CG 3.25Å; L299-L303 WeakPolarHBondContact O-CG 3.46Å; L299-L303 PolarHBondContact O-N 3.06Å; L300-L303 PolarHBondContact O-N 3.11Å; L303-R307 CarbonylContact O-C 3.44Å; L303-R307 WeakPolarHBondContact O-CA 3.44Å; L303-R307 WeakPolarHBondContact O-CB 3.47Å; L303-R307 PolarHBondContact O-N 3.31Å; L303-I311 HydrophobicContact CB-CD1 4.24Å; L303-I311 HydrophobicContact CB-CG1 4.08Å; L303-I311 WeakPolarHBondContact O-CG1 3.49Å
304	T	88.9	Confident	88.7	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.8	-33.9	173.5	46.2	0	0	0	0	113.5	L300 I301 H302 G308 I311 I312 L315 L341 Q344	L300-T304 PolarHBondContact O-N 3.31Å; L300-T304 PolarHBondContact O-OG1 3.14Å; L300-T304 VanDerWaalsContact O-OG1 3.12Å; I301-T304 WeakPolarHBondContact CA-OG1 3.47Å; I301-T304 PolarHBondContact O-N 2.83Å; I301-T304 PolarHBondContact O-OG1 3.45Å; H302-T304 VanDerWaalsContact C-N 3.32Å; H302-T304 PolarHBondContact O-N 2.96Å; T304-G308 WeakPolarHBondContact O-CA 3.37Å; T304-G308 PolarHBondContact O-N 3.39Å; T304-I311 HydrophobicContact CG2-CB 4.06Å; T304-I311 HydrophobicContact CG2-CG2 3.47Å; T304-I311 VanDerWaalsContact CG2-CG2 3.47Å; T304-I312 HydrophobicContact CG2-CG1 4.02Å; T304-L315 HydrophobicContact CG2-CD1 3.91Å; T304-L341 HydrophobicContact CG2-CD2 3.77Å; T304-Q344 PolarHBondContact O-OE1 3.36Å; T304-Q344 PolarHBondContact OG1-OE1 2.98Å
305	L	88.2	Confident	88.7	Confident	79 Å²	79	28.3 Å²	28.3	41%	0.414	14%	0.14	S	C	.	.	H	α-helix	trans	-70.1	-46.6	-179.3	-176.8	61.4	0	0	0	111.6	I301 H302 T346	I301-L305 PolarHBondContact O-N 3.44Å; H302-L305 PolarHBondContact O-N 2.7Å; H302-L305 VanDerWaalsContact O-N 3.09Å; L305-T346 VanDerWaalsContact O-CG2 3.25Å; L305-T346 WeakPolarHBondContact O-CG2 3.34Å
306	H	87.4	Confident	88.5	Confident	67 Å²	67	33.6 Å²	33.6	31%	0.31	16%	0.159	S	C	.	.	H	α-helix	trans	-92.4	-15.7	-173.8	-63.2	-88.8	0	0	0	113.9	D87 L92 H302	D87-H306 IonicContact OD1-CE1 3.48Å; D87-H306 PolarHBondContact OD1-CE1 2.79Å; D87-H306 IonicContact OD1-ND1 3.2Å; D87-H306 PolarHBondContact OD1-ND1 3.05Å; D87-H306 IonicContact OD1-NE2 3.9Å; D87-H306 PolarHBondContact OD1-NE2 2.79Å; L92-H306 HydrophobicContact CD1-CB 3.9Å; H302-H306 AromaticContact CE1-CD2 3.32Å; H302-H306 PolarHBondContact CE1-CD2 3.36Å; H302-H306 AromaticContact CE1-NE2 3.33Å; H302-H306 PolarHBondContact CE1-NE2 3.39Å; H302-H306 VanDerWaalsContact CE1-NE2 3.33Å; H302-H306 AromaticContact CG-CD2 3.9Å; H302-H306 AromaticContact ND1-CD2 3.36Å; H302-H306 PolarHBondContact ND1-CD2 3.17Å; H302-H306 AromaticContact ND1-NE2 3.41Å; H302-H306 PolarHBondContact ND1-NE2 3.31Å; H302-H306 AromaticContact NE2-CD2 3.85Å; H302-H306 PolarHBondContact O-CD2 3.27Å; H302-H306 VanDerWaalsContact O-CD2 3.25Å; H302-H306 PolarHBondContact O-N 3.45Å
307	R	87.7	Confident	88.2	Confident	38 Å²	38	38 Å²	38	14%	0.143	19%	0.19	C	C	.	.	H	α-helix	trans	-146	25.5	-174.5	-63.6	-69.3	-170.4	-76	-0.4	113.7	N89 D93 I96 L303 N309 V310 I311	N89-R307 PolarHBondContact OD1-NH1 3.28Å; N89-R307 PolarHBondContact OD1-NH2 3.49Å; D93-R307 IonicContact OD1-CZ 2.76Å; D93-R307 VanDerWaalsContact OD1-CZ 3.3Å; D93-R307 IonicContact OD1-NE 2.73Å; D93-R307 PolarHBondContact OD1-NE 3.36Å; D93-R307 IonicContact OD1-NH2 3.77Å; D93-R307 PolarHBondContact OD1-NH2 3.46Å; D93-R307 IonicContact OD2-CZ 2.7Å; D93-R307 IonicContact OD2-NH2 3.82Å; D93-R307 PolarHBondContact OD2-NH2 3.33Å; I96-R307 HydrophobicContact CD1-CB 3.29Å; I96-R307 HydrophobicContact CD1-CG 3.39Å; L303-R307 CarbonylContact O-C 3.44Å; L303-R307 WeakPolarHBondContact O-CA 3.44Å; L303-R307 WeakPolarHBondContact O-CB 3.47Å; L303-R307 PolarHBondContact O-N 3.31Å; R307-N309 PolarHBondContact O-N 3.47Å; R307-N309 PolarHBondContact O-OD1 2.72Å; R307-V310 PolarHBondContact O-N 3.19Å; R307-I311 HydrophobicContact CB-CG1 4.18Å; R307-I311 WeakPolarHBondContact O-CG1 3.37Å; R307-I311 PolarHBondContact O-N 3.01Å
308	G	84.3	Confident	87.8	Confident	2 Å²	2	39 Å²	39	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-51.8	-32.1	-177.8	0	0	0	0	0	115.1	T304 V310 I311 I312 P313 Q348	T304-G308 WeakPolarHBondContact O-CA 3.37Å; T304-G308 PolarHBondContact O-N 3.39Å; G308-V310 PolarHBondContact O-N 3.32Å; G308-V310 VanDerWaalsContact O-N 3.09Å; G308-I311 PolarHBondContact O-N 3.48Å; G308-I312 WeakPolarHBondContact O-CB 3.49Å; G308-I312 PolarHBondContact O-N 3.36Å; G308-P313 WeakPolarHBondContact O-CD 3.46Å; G308-Q348 PolarHBondContact O-OE1 3.33Å
309	N	83.9	Confident	86.9	Confident	107 Å²	107	43.7 Å²	43.7	57%	0.572	22%	0.22	S	C	*	.	H	α-helix	trans	-58.8	-22.4	175.7	68.3	-34.7	0	0	0	114.2	R307	R307-N309 PolarHBondContact O-N 3.47Å; R307-N309 PolarHBondContact O-OD1 2.72Å
310	V	87.1	Confident	86.2	Confident	39 Å²	39	44.8 Å²	44.8	24%	0.236	23%	0.231	C	C	.	.	H	α-helix	trans	-104	-43.7	172.4	177.6	0	0	0	0	111.1	I96 R307 G308 Y314	I96-V310 HydrophobicContact CG2-CB 4.48Å; I96-V310 HydrophobicContact CG2-CG1 3.77Å; R307-V310 PolarHBondContact O-N 3.19Å; G308-V310 PolarHBondContact O-N 3.32Å; G308-V310 VanDerWaalsContact O-N 3.09Å; V310-Y314 PolarHBondContact O-N 2.85Å
311	I	88.7	Confident	85.9	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-73.1	-46.9	-171.9	-56.2	-64.8	0	0	0	112.5	I96 I274 L303 T304 R307 G308 Y314 L315	I96-I311 HydrophobicContact CD1-CD1 3.83Å; I96-I311 HydrophobicContact CD1-CG1 4.23Å; I96-I311 HydrophobicContact CG1-CD1 3.87Å; I274-I311 HydrophobicContact CD1-CD1 3.43Å; I274-I311 VanDerWaalsContact CD1-CD1 3.43Å; I274-I311 HydrophobicContact CG1-CD1 4.33Å; L303-I311 HydrophobicContact CB-CD1 4.24Å; L303-I311 HydrophobicContact CB-CG1 4.08Å; L303-I311 WeakPolarHBondContact O-CG1 3.49Å; T304-I311 HydrophobicContact CG2-CB 4.06Å; T304-I311 HydrophobicContact CG2-CG2 3.47Å; T304-I311 VanDerWaalsContact CG2-CG2 3.47Å; R307-I311 HydrophobicContact CB-CG1 4.18Å; R307-I311 WeakPolarHBondContact O-CG1 3.37Å; R307-I311 PolarHBondContact O-N 3.01Å; G308-I311 PolarHBondContact O-N 3.48Å; I311-Y314 CarbonylContact O-C 3.48Å; I311-Y314 WeakPolarHBondContact O-CA 3.32Å; I311-Y314 WeakPolarHBondContact O-CB 3.45Å; I311-Y314 PolarHBondContact O-N 3.45Å; I311-L315 HydrophobicContact CG2-CD1 3.91Å; I311-L315 HydrophobicContact CG2-CG 3.93Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 3.44Å
312	I	88.7	Confident	85.6	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-45.1	-176.1	-63.1	157.9	0	0	0	111.3	T304 G308 Y314 R316 Q348 I351 I352	T304-I312 HydrophobicContact CG2-CG1 4.02Å; G308-I312 WeakPolarHBondContact O-CB 3.49Å; G308-I312 PolarHBondContact O-N 3.36Å; I312-Y314 VanDerWaalsContact C-N 3.27Å; I312-Y314 PolarHBondContact O-N 3.23Å; I312-R316 WeakPolarHBondContact O-CB 3.27Å; I312-R316 PolarHBondContact O-N 2.85Å; I312-R316 VanDerWaalsContact O-N 3.09Å; I312-Q348 HydrophobicContact CD1-CB 4.13Å; I312-I351 HydrophobicContact CG2-CG2 4.42Å; I312-I352 HydrophobicContact CD1-CD1 3.85Å; I312-I352 HydrophobicContact CD1-CG1 4.37Å; I312-I352 HydrophobicContact CG1-CD1 4.25Å; I312-I352 HydrophobicContact CG2-CD1 4.41Å; I312-I352 HydrophobicContact CG2-CG1 3.86Å
313	P	86.8	Confident	85.3	Confident	53 Å²	53	46.1 Å²	46.1	34%	0.344	24%	0.239	S	C	.	.	H	α-helix	trans	-60.9	-31.8	170.5	-25	35.7	0	0	0	114.1	G308 S317	G308-P313 WeakPolarHBondContact O-CD 3.46Å; P313-S317 VanDerWaalsContact O-CB 3.3Å; P313-S317 WeakPolarHBondContact O-CB 3.36Å; P313-S317 PolarHBondContact O-N 3.31Å; P313-S317 PolarHBondContact O-OG 2.84Å
314	Y	86.1	Confident	84.8	Confident	39 Å²	39	46.7 Å²	46.7	15%	0.153	24%	0.242	C	C	.	.	H	α-helix	trans	-72	-48.9	178.7	-158.2	-95.8	0	0	0	111.7	T269 R271 I274 D275 L278 V310 I311 I312 R316 S317 S318	T269-Y314 WeakPolarHBondContact O-CE2 3.5Å; R271-Y314 HydrophobicContact CB-CE2 4.28Å; R271-Y314 HydrophobicContact CG-CE2 4.01Å; R271-Y314 PolarHBondContact N-OH 2.7Å; R271-Y314 VanDerWaalsContact N-OH 3.11Å; I274-Y314 HydrophobicContact CB-CD1 4.5Å; I274-Y314 HydrophobicContact CB-CE1 4.27Å; I274-Y314 HydrophobicContact CG2-CD1 3.68Å; I274-Y314 HydrophobicContact CG2-CE1 3.78Å; D275-Y314 VanDerWaalsContact CG-OH 3.25Å; D275-Y314 WeakPolarHBondContact OD1-CE1 3.29Å; D275-Y314 PolarHBondContact OD1-OH 3.24Å; D275-Y314 PolarHBondContact OD2-OH 3Å; L278-Y314 HydrophobicContact CD1-CD1 4.23Å; L278-Y314 HydrophobicContact CD1-CE1 4.13Å; V310-Y314 PolarHBondContact O-N 2.85Å; I311-Y314 CarbonylContact O-C 3.48Å; I311-Y314 WeakPolarHBondContact O-CA 3.32Å; I311-Y314 WeakPolarHBondContact O-CB 3.45Å; I311-Y314 PolarHBondContact O-N 3.45Å; I312-Y314 VanDerWaalsContact C-N 3.27Å; I312-Y314 PolarHBondContact O-N 3.23Å; Y314-R316 VanDerWaalsContact C-N 3.32Å; Y314-R316 PolarHBondContact O-N 3.04Å; Y314-S317 CarbonylContact O-C 3.6Å; Y314-S317 WeakPolarHBondContact O-CA 3.35Å; Y314-S317 PolarHBondContact O-N 3.17Å; Y314-S318 PolarHBondContact O-N 2.99Å
315	L	87.1	Confident	84.7	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-55.9	-46.7	175	-64.6	-179.7	0	0	0	111.2	L278 T304 I311 S317 S318 F321 L341 W355	L278-L315 HydrophobicContact CD2-CD2 3.72Å; T304-L315 HydrophobicContact CG2-CD1 3.91Å; I311-L315 HydrophobicContact CG2-CD1 3.91Å; I311-L315 HydrophobicContact CG2-CG 3.93Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 3.44Å; L315-S317 VanDerWaalsContact C-N 3.28Å; L315-S317 PolarHBondContact O-N 3.18Å; L315-S318 WeakPolarHBondContact O-CB 3.48Å; L315-S318 PolarHBondContact O-N 3.34Å; L315-F321 HydrophobicContact CB-CD1 4.31Å; L315-F321 HydrophobicContact CB-CE1 4.27Å; L315-F321 HydrophobicContact CD1-CE1 4.4Å; L315-F321 HydrophobicContact CD2-CE1 4.19Å; L315-F321 HydrophobicContact CD2-CE2 4.35Å; L315-F321 HydrophobicContact CD2-CZ 4.03Å; L315-L341 HydrophobicContact CD1-CD2 4.14Å; L315-W355 HydrophobicContact CB-CH2 4.16Å
316	R	86.7	Confident	84.5	Confident	123 Å²	123	43.4 Å²	43.4	46%	0.464	22%	0.224	S	C	.	.	H	α-helix	trans	-67	-24.5	176	-178.1	176.6	173.6	-159.5	-3.2	113.8	I312 Y314 W355	I312-R316 WeakPolarHBondContact O-CB 3.27Å; I312-R316 PolarHBondContact O-N 2.85Å; I312-R316 VanDerWaalsContact O-N 3.09Å; Y314-R316 VanDerWaalsContact C-N 3.32Å; Y314-R316 PolarHBondContact O-N 3.04Å; R316-W355 HydrophobicContact CB-CD2 4.12Å; R316-W355 HydrophobicContact CB-CE3 4.48Å; R316-W355 HydrophobicContact CB-CG 4.47Å; R316-W355 HydrophobicContact CB-CZ2 4.4Å; R316-W355 HydrophobicContact CG-CD2 4.12Å; R316-W355 HydrophobicContact CG-CG 3.97Å
317	S	85.2	Confident	84.3	Confident	93 Å²	93	46.1 Å²	46.1	65%	0.65	24%	0.24	S	C	*	.	H	α-helix	trans	-83.4	-17.5	174.9	-60.4	0	0	0	0	112.8	P313 Y314 L315 K319	P313-S317 VanDerWaalsContact O-CB 3.3Å; P313-S317 WeakPolarHBondContact O-CB 3.36Å; P313-S317 PolarHBondContact O-N 3.31Å; P313-S317 PolarHBondContact O-OG 2.84Å; Y314-S317 CarbonylContact O-C 3.6Å; Y314-S317 WeakPolarHBondContact O-CA 3.35Å; Y314-S317 PolarHBondContact O-N 3.17Å; L315-S317 VanDerWaalsContact C-N 3.28Å; L315-S317 PolarHBondContact O-N 3.18Å; S317-K319 PolarHBondContact O-N 2.56Å
318	S	81.8	Confident	83.9	Confident	28 Å²	28	44.5 Å²	44.5	20%	0.196	24%	0.235	C	C	.	.	S	Bend	trans	-73.4	112.4	176.4	-172.7	0	0	0	0	110.3	Y314 L315 G320 F321	Y314-S318 PolarHBondContact O-N 2.99Å; L315-S318 WeakPolarHBondContact O-CB 3.48Å; L315-S318 PolarHBondContact O-N 3.34Å; S318-G320 PolarHBondContact O-N 2.72Å; S318-F321 PolarHBondContact O-N 3.05Å
319	K	72.7	Confident	84	Confident	195 Å²	195	44.4 Å²	44.4	85%	0.848	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	118.5	-173.5	-70.7	-174.7	178.4	-179.6	0	110.9	S317 F321	S317-K319 PolarHBondContact O-N 2.56Å; K319-F321 VanDerWaalsContact C-N 3.32Å
320	G	76.9	Confident	83.8	Confident	22 Å²	22	42.6 Å²	42.6	23%	0.227	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	23.7	178	0	0	0	0	0	114.1	S318 L322 D323 Q324	S318-G320 PolarHBondContact O-N 2.72Å; G320-L322 VanDerWaalsContact C-N 3.31Å; G320-L322 PolarHBondContact O-N 3.45Å; G320-D323 WeakPolarHBondContact CA-OD2 3.49Å; G320-D323 WeakPolarHBondContact O-CA 3.27Å; G320-D323 WeakPolarHBondContact O-CB 3.46Å; G320-D323 PolarHBondContact O-N 3.4Å; G320-Q324 WeakPolarHBondContact O-CG 3.15Å; G320-Q324 PolarHBondContact O-N 3.38Å; G320-Q324 VanDerWaalsContact O-N 3.08Å; G320-Q324 PolarHBondContact O-NE2 3.09Å
321	F	84.5	Confident	83.6	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.009	22%	0.217	C	C	.	.	H	α-helix	trans	-55.7	-45.3	173.7	169.4	-114.1	0	0	0	112	L278 L315 S318 K319 D323 Q324 L325 L337 W355	L278-F321 HydrophobicContact CD2-CD2 3.59Å; L278-F321 HydrophobicContact CD2-CE2 3.47Å; L278-F321 VanDerWaalsContact CD2-CE2 3.47Å; L278-F321 HydrophobicContact CD2-CZ 4.37Å; L315-F321 HydrophobicContact CB-CD1 4.31Å; L315-F321 HydrophobicContact CB-CE1 4.27Å; L315-F321 HydrophobicContact CD1-CE1 4.4Å; L315-F321 HydrophobicContact CD2-CE1 4.19Å; L315-F321 HydrophobicContact CD2-CE2 4.35Å; L315-F321 HydrophobicContact CD2-CZ 4.03Å; S318-F321 PolarHBondContact O-N 3.05Å; K319-F321 VanDerWaalsContact C-N 3.32Å; F321-D323 VanDerWaalsContact C-N 3.29Å; F321-D323 PolarHBondContact O-N 3.09Å; F321-Q324 WeakPolarHBondContact O-CB 3.48Å; F321-Q324 PolarHBondContact O-N 3.41Å; F321-L325 HydrophobicContact CE1-CD1 3.85Å; F321-L325 HydrophobicContact CE1-CG 4.38Å; F321-L325 HydrophobicContact CE2-CD1 4.33Å; F321-L325 HydrophobicContact CE2-CD2 3.93Å; F321-L325 HydrophobicContact CE2-CG 4.13Å; F321-L325 HydrophobicContact CZ-CD1 3.73Å; F321-L325 HydrophobicContact CZ-CD2 4.07Å; F321-L325 HydrophobicContact CZ-CG 4.04Å; F321-L325 PolarHBondContact O-N 2.99Å; F321-L325 VanDerWaalsContact O-N 3.09Å; F321-L337 HydrophobicContact CZ-CD2 4.37Å; F321-W355 AromaticContact CD1-CH2 3.84Å; F321-W355 HydrophobicContact CD1-CH2 3.84Å; F321-W355 HydrophobicContact CD1-CZ2 4.12Å; F321-W355 HydrophobicContact CE1-CH2 4.08Å
322	L	84.6	Confident	83.3	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-37.8	173.2	-64.8	179.5	0	0	0	111.4	G320 Q324 L325 F326 W355 D359 L361	G320-L322 VanDerWaalsContact C-N 3.31Å; G320-L322 PolarHBondContact O-N 3.45Å; L322-Q324 PolarHBondContact O-N 2.83Å; L322-L325 HydrophobicContact CD2-CD1 4.36Å; L322-L325 PolarHBondContact O-N 3.19Å; L322-F326 HydrophobicContact CB-CD2 4.34Å; L322-F326 HydrophobicContact CB-CE2 4.3Å; L322-F326 WeakPolarHBondContact O-CB 3.41Å; L322-F326 WeakPolarHBondContact O-CD2 3.35Å; L322-F326 PolarHBondContact O-N 3.08Å; L322-W355 HydrophobicContact CD1-CZ2 4.01Å; L322-W355 HydrophobicContact CD2-CH2 4.23Å; L322-W355 HydrophobicContact CD2-CZ2 4.07Å; L322-W355 HydrophobicContact CG-CH2 4.47Å; L322-W355 HydrophobicContact CG-CZ2 3.82Å; L322-D359 HydrophobicContact CD1-CB 3.7Å; L322-L361 HydrophobicContact CD1-CD1 4.31Å; L322-L361 HydrophobicContact CD2-CD1 4.31Å
323	D	83.6	Confident	83.1	Confident	77 Å²	77	44.8 Å²	44.8	41%	0.412	24%	0.241	S	C	.	.	H	α-helix	trans	-57.8	-35.7	176.9	-41.5	-13	0	0	0	111.8	G320 F321 L327 R364	G320-D323 WeakPolarHBondContact CA-OD2 3.49Å; G320-D323 WeakPolarHBondContact O-CA 3.27Å; G320-D323 WeakPolarHBondContact O-CB 3.46Å; G320-D323 PolarHBondContact O-N 3.4Å; F321-D323 VanDerWaalsContact C-N 3.29Å; F321-D323 PolarHBondContact O-N 3.09Å; D323-L327 WeakPolarHBondContact O-CG 3.41Å; D323-L327 PolarHBondContact O-N 3.42Å; D323-L327 VanDerWaalsContact O-N 3.12Å; D323-R364 VanDerWaalsContact CA-NH2 3.32Å; D323-R364 IonicContact OD1-CZ 2.73Å; D323-R364 IonicContact OD1-NH1 3.61Å; D323-R364 PolarHBondContact OD1-NH1 3.12Å; D323-R364 IonicContact OD1-NH2 2.8Å; D323-R364 PolarHBondContact OD1-NH2 3.17Å
324	Q	80.9	Confident	83.1	Confident	12 Å²	12	42.3 Å²	42.3	6%	0.056	23%	0.225	C	C	.	.	H	α-helix	trans	-75.7	-41.3	177	-63.8	153.9	49.5	0	0	112.3	F281 H282 G320 F321 L322 F326 L327 S328	F281-Q324 HydrophobicContact CB-CB 3.96Å; H282-Q324 VanDerWaalsContact CA-OE1 3.32Å; H282-Q324 VanDerWaalsContact CB-OE1 3.29Å; H282-Q324 PolarHBondContact CD2-NE2 3.41Å; H282-Q324 VanDerWaalsContact CD2-NE2 3.33Å; H282-Q324 PolarHBondContact CD2-OE1 2.98Å; H282-Q324 PolarHBondContact CE1-NE2 2.9Å; H282-Q324 VanDerWaalsContact CG-CD 3.47Å; H282-Q324 PolarHBondContact NE2-NE2 2.9Å; G320-Q324 WeakPolarHBondContact O-CG 3.15Å; G320-Q324 PolarHBondContact O-N 3.38Å; G320-Q324 VanDerWaalsContact O-N 3.08Å; G320-Q324 PolarHBondContact O-NE2 3.09Å; F321-Q324 WeakPolarHBondContact O-CB 3.48Å; F321-Q324 PolarHBondContact O-N 3.41Å; L322-Q324 PolarHBondContact O-N 2.83Å; Q324-F326 VanDerWaalsContact C-N 3.26Å; Q324-F326 PolarHBondContact O-N 3.25Å; Q324-L327 WeakPolarHBondContact O-CB 3.4Å; Q324-L327 PolarHBondContact O-N 3.26Å; Q324-L327 VanDerWaalsContact O-N 3.09Å; Q324-S328 PolarHBondContact O-N 3.17Å; Q324-S328 PolarHBondContact O-OG 3.19Å
325	L	84.9	Confident	83.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-39.1	170.5	-61.1	-166.7	0	0	0	110.8	F281 F321 L322 L327 S328 L329 V334 L337 I338	F281-L325 HydrophobicContact CD1-CD2 3.94Å; F281-L325 HydrophobicContact CD2-CD2 4.21Å; F281-L325 HydrophobicContact CE1-CD2 4.05Å; F281-L325 HydrophobicContact CE2-CD2 4.3Å; F281-L325 HydrophobicContact CG-CD2 4.02Å; F281-L325 HydrophobicContact CZ-CD2 4.23Å; F321-L325 HydrophobicContact CE1-CD1 3.85Å; F321-L325 HydrophobicContact CE1-CG 4.38Å; F321-L325 HydrophobicContact CE2-CD1 4.33Å; F321-L325 HydrophobicContact CE2-CD2 3.93Å; F321-L325 HydrophobicContact CE2-CG 4.13Å; F321-L325 HydrophobicContact CZ-CD1 3.73Å; F321-L325 HydrophobicContact CZ-CD2 4.07Å; F321-L325 HydrophobicContact CZ-CG 4.04Å; F321-L325 PolarHBondContact O-N 2.99Å; F321-L325 VanDerWaalsContact O-N 3.09Å; L322-L325 HydrophobicContact CD2-CD1 4.36Å; L322-L325 PolarHBondContact O-N 3.19Å; L325-L327 VanDerWaalsContact C-N 3.3Å; L325-L327 PolarHBondContact O-N 3Å; L325-S328 CarbonylContact O-C 3.44Å; L325-S328 PolarHBondContact O-N 3.01Å; L325-S328 PolarHBondContact O-OG 3.4Å; L325-L329 PolarHBondContact O-N 3.01Å; L325-V334 HydrophobicContact CB-CG1 3.7Å; L325-V334 HydrophobicContact CD2-CG1 4.06Å; L325-V334 HydrophobicContact CG-CG1 4.29Å; L325-V334 WeakPolarHBondContact O-CG1 3.36Å; L325-L337 HydrophobicContact CD1-CD2 4Å; L325-L337 HydrophobicContact CD1-CG 4.48Å; L325-L337 HydrophobicContact CD2-CD2 3.97Å; L325-I338 HydrophobicContact CD1-CD1 4.43Å; L325-I338 HydrophobicContact CD1-CG1 3.99Å
326	F	84.5	Confident	83.3	Confident	11 Å²	11	42.9 Å²	42.9	5%	0.048	23%	0.231	C	C	.	.	H	α-helix	trans	-67.5	-24.6	174.3	-78.9	-63.4	0	0	0	113.6	L322 Q324 S328 L329 L361 R364 L365 K368	L322-F326 HydrophobicContact CB-CD2 4.34Å; L322-F326 HydrophobicContact CB-CE2 4.3Å; L322-F326 WeakPolarHBondContact O-CB 3.41Å; L322-F326 WeakPolarHBondContact O-CD2 3.35Å; L322-F326 PolarHBondContact O-N 3.08Å; Q324-F326 VanDerWaalsContact C-N 3.26Å; Q324-F326 PolarHBondContact O-N 3.25Å; F326-S328 PolarHBondContact O-N 3.41Å; F326-L329 HydrophobicContact CD1-CD2 4.25Å; F326-L329 HydrophobicContact CE1-CD2 4.46Å; F326-L361 HydrophobicContact CE2-CD1 3.98Å; F326-L361 HydrophobicContact CZ-CD1 3.74Å; F326-L361 HydrophobicContact CZ-CG 4.4Å; F326-R364 HydrophobicContact CD2-CB 4.35Å; F326-R364 HydrophobicContact CE1-CB 4.06Å; F326-R364 HydrophobicContact CE2-CB 3.67Å; F326-R364 HydrophobicContact CE2-CG 4.5Å; F326-R364 HydrophobicContact CZ-CB 3.5Å; F326-R364 VanDerWaalsContact CZ-CB 3.5Å; F326-L365 HydrophobicContact CE1-CB 4.49Å; F326-L365 HydrophobicContact CE1-CD2 3.8Å; F326-L365 HydrophobicContact CE1-CG 3.81Å; F326-L365 HydrophobicContact CZ-CD2 4.45Å; F326-L365 HydrophobicContact CZ-CG 4.06Å; F326-K368 HydrophobicContact CD1-CG 4.34Å; F326-K368 WeakPolarHBondContact O-CE 3.25Å; F326-K368 PolarHBondContact O-NZ 3.01Å
327	L	82.7	Confident	83.5	Confident	123 Å²	123	37 Å²	37	64%	0.644	21%	0.209	S	C	*	.	H	α-helix	trans	-73.6	-13.7	170.7	-76.1	165.6	0	0	0	113.2	D323 Q324 L325	D323-L327 WeakPolarHBondContact O-CG 3.41Å; D323-L327 PolarHBondContact O-N 3.42Å; D323-L327 VanDerWaalsContact O-N 3.12Å; Q324-L327 WeakPolarHBondContact O-CB 3.4Å; Q324-L327 PolarHBondContact O-N 3.26Å; Q324-L327 VanDerWaalsContact O-N 3.09Å; L325-L327 VanDerWaalsContact C-N 3.3Å; L325-L327 PolarHBondContact O-N 3Å
328	S	80.7	Confident	83.8	Confident	4 Å²	4	32.7 Å²	32.7	3%	0.028	18%	0.178	C	C	.	.	S	Bend	trans	-126	13.2	-172.8	53.1	0	0	0	0	114.4	V288 Q324 L325 F326 D330 S331	V288-S328 VanDerWaalsContact CG2-CB 3.4Å; Q324-S328 PolarHBondContact O-N 3.17Å; Q324-S328 PolarHBondContact O-OG 3.19Å; L325-S328 CarbonylContact O-C 3.44Å; L325-S328 PolarHBondContact O-N 3.01Å; L325-S328 PolarHBondContact O-OG 3.4Å; F326-S328 PolarHBondContact O-N 3.41Å; S328-D330 PolarHBondContact O-N 3.28Å; S328-D330 VanDerWaalsContact O-N 3.16Å; S328-S331 WeakPolarHBondContact O-CB 3.3Å; S328-S331 PolarHBondContact O-N 2.97Å
329	L	85.1	Confident	84.3	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.4	-174.5	-167.8	67.5	0	0	0	113.9	L325 F326 S331 V334 A335 I338 L365 K368 S380 A381	L325-L329 PolarHBondContact O-N 3.01Å; F326-L329 HydrophobicContact CD1-CD2 4.25Å; F326-L329 HydrophobicContact CE1-CD2 4.46Å; L329-S331 PolarHBondContact O-N 3.1Å; L329-S331 VanDerWaalsContact O-N 3.08Å; L329-V334 HydrophobicContact CD1-CG1 4.45Å; L329-A335 HydrophobicContact CD1-CB 4.28Å; L329-I338 HydrophobicContact CD1-CD1 4.17Å; L329-L365 HydrophobicContact CD2-CD2 3.86Å; L329-K368 HydrophobicContact CD2-CG 3.98Å; L329-S380 WeakPolarHBondContact O-CB 3.43Å; L329-S380 PolarHBondContact O-OG 2.97Å; L329-A381 HydrophobicContact CD2-CB 3.84Å
330	D	80.9	Confident	85.1	Confident	69 Å²	69	25.7 Å²	25.7	37%	0.369	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-20.8	168.3	-55.6	55.3	0	0	0	113	S328 S374	S328-D330 PolarHBondContact O-N 3.28Å; S328-D330 VanDerWaalsContact O-N 3.16Å; D330-S374 WeakPolarHBondContact OD2-CB 3.39Å; D330-S374 PolarHBondContact OD2-OG 3.41Å
331	S	82.7	Confident	85.8	Confident	12 Å²	12	24.7 Å²	24.7	8%	0.084	14%	0.135	C	C	.	.	S	Bend	trans	-92.6	116.8	172.1	-170.1	0	0	0	0	111	S328 L329 A333 V334	S328-S331 WeakPolarHBondContact O-CB 3.3Å; S328-S331 PolarHBondContact O-N 2.97Å; L329-S331 PolarHBondContact O-N 3.1Å; L329-S331 VanDerWaalsContact O-N 3.08Å; S331-A333 PolarHBondContact O-N 3.05Å; S331-A333 VanDerWaalsContact O-N 3.08Å; S331-V334 WeakPolarHBondContact O-CB 3.48Å; S331-V334 PolarHBondContact O-N 3.08Å
332	C	82.1	Confident	85.9	Confident	65 Å²	65	24.6 Å²	24.6	44%	0.439	14%	0.135	S	C	.	.	H	α-helix	trans	-49.2	-38.9	176.7	-172.3	0	0	0	0	112.5	V334 A335 D336	C332-V334 PolarHBondContact O-N 2.99Å; C332-A335 CarbonylContact O-C 3.58Å; C332-A335 WeakPolarHBondContact O-CA 3.36Å; C332-A335 WeakPolarHBondContact O-CB 3.37Å; C332-A335 PolarHBondContact O-N 3.16Å; C332-D336 VanDerWaalsContact C-OD2 3.31Å; C332-D336 VanDerWaalsContact O-CG 3.29Å; C332-D336 PolarHBondContact O-N 3.41Å; C332-D336 PolarHBondContact SG-OD2 2.88Å
333	A	85.1	Confident	86.1	Confident	10 Å²	10	28.1 Å²	28.1	8%	0.083	15%	0.151	C	C	.	.	H	α-helix	trans	-56.3	-21.6	177.4	0	0	0	0	0	114.8	A293 S297 S331 L337	A293-A333 HydrophobicContact CB-CB 4.15Å; S297-A333 WeakPolarHBondContact CB-O 3.39Å; S297-A333 PolarHBondContact OG-O 3.18Å; S331-A333 PolarHBondContact O-N 3.05Å; S331-A333 VanDerWaalsContact O-N 3.08Å; A333-L337 PolarHBondContact O-N 3.08Å
334	V	86.7	Confident	85.9	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-87.8	-36.9	175.5	176.7	0	0	0	0	111.6	F281 L325 L329 S331 C332 L337 I338	F281-V334 HydrophobicContact CE1-CG2 3.98Å; L325-V334 HydrophobicContact CB-CG1 3.7Å; L325-V334 HydrophobicContact CD2-CG1 4.06Å; L325-V334 HydrophobicContact CG-CG1 4.29Å; L325-V334 WeakPolarHBondContact O-CG1 3.36Å; L329-V334 HydrophobicContact CD1-CG1 4.45Å; S331-V334 WeakPolarHBondContact O-CB 3.48Å; S331-V334 PolarHBondContact O-N 3.08Å; C332-V334 PolarHBondContact O-N 2.99Å; V334-L337 WeakPolarHBondContact O-CB 3.46Å; V334-L337 PolarHBondContact O-N 3.22Å; V334-I338 WeakPolarHBondContact O-CG1 3.37Å; V334-I338 PolarHBondContact O-N 2.81Å
335	A	88.3	Confident	85.5	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.3	-44.4	167.9	0	0	0	0	0	110.6	L329 C332 L337 I338 I339 Y383 C384	L329-A335 HydrophobicContact CD1-CB 4.28Å; C332-A335 CarbonylContact O-C 3.58Å; C332-A335 WeakPolarHBondContact O-CA 3.36Å; C332-A335 WeakPolarHBondContact O-CB 3.37Å; C332-A335 PolarHBondContact O-N 3.16Å; A335-L337 VanDerWaalsContact C-N 3.3Å; A335-L337 PolarHBondContact O-N 3.16Å; A335-I338 PolarHBondContact O-N 2.95Å; A335-I338 VanDerWaalsContact O-N 3.1Å; A335-I339 VanDerWaalsContact O-CG1 3.3Å; A335-I339 WeakPolarHBondContact O-CG1 2.88Å; A335-I339 PolarHBondContact O-N 3.47Å; A335-Y383 HydrophobicContact CB-CD1 4.13Å; A335-C384 HydrophobicContact CB-CB 4.28Å
336	D	88.6	Confident	84.6	Confident	52 Å²	52	34.1 Å²	34.1	28%	0.278	18%	0.179	S	C	.	.	H	α-helix	trans	-57.1	-40.5	173.8	-66.9	-44.3	0	0	0	111.9	C332 I339 Q340	C332-D336 VanDerWaalsContact C-OD2 3.31Å; C332-D336 VanDerWaalsContact O-CG 3.29Å; C332-D336 PolarHBondContact O-N 3.41Å; C332-D336 PolarHBondContact SG-OD2 2.88Å; D336-I339 PolarHBondContact O-N 3.16Å; D336-Q340 WeakPolarHBondContact O-CB 3.48Å; D336-Q340 VanDerWaalsContact O-CG 3.28Å; D336-Q340 WeakPolarHBondContact O-CG 3.44Å; D336-Q340 PolarHBondContact O-N 3Å
337	L	91.1	Very high	84.1	Confident	1 Å²	1	39 Å²	39	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-45.6	174.3	-178.7	57.4	0	0	0	111.8	F281 L300 I301 F321 L325 A333 V334 A335 L341	F281-L337 HydrophobicContact CZ-CD2 4.42Å; L300-L337 HydrophobicContact CB-CD1 3.99Å; L300-L337 HydrophobicContact CD1-CD2 4.18Å; I301-L337 HydrophobicContact CD1-CD1 4.39Å; I301-L337 HydrophobicContact CG1-CD1 3.71Å; F321-L337 HydrophobicContact CZ-CD2 4.37Å; L325-L337 HydrophobicContact CD1-CD2 4Å; L325-L337 HydrophobicContact CD1-CG 4.48Å; L325-L337 HydrophobicContact CD2-CD2 3.97Å; A333-L337 PolarHBondContact O-N 3.08Å; V334-L337 WeakPolarHBondContact O-CB 3.46Å; V334-L337 PolarHBondContact O-N 3.22Å; A335-L337 VanDerWaalsContact C-N 3.3Å; A335-L337 PolarHBondContact O-N 3.16Å; L337-L341 HydrophobicContact CD1-CD1 4.31Å; L337-L341 HydrophobicContact CD1-CG 4.37Å; L337-L341 HydrophobicContact CG-CD1 4.21Å; L337-L341 WeakPolarHBondContact O-CB 3.48Å; L337-L341 WeakPolarHBondContact O-CD1 3.43Å; L337-L341 WeakPolarHBondContact O-CG 3.13Å; L337-L341 PolarHBondContact O-N 2.85Å
338	I	92	Very high	83.9	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-67	-42.1	179.8	-62.4	164.3	0	0	0	110.7	L325 L329 V334 A335 L341 S342 F356 L361 C384	L325-I338 HydrophobicContact CD1-CD1 4.43Å; L325-I338 HydrophobicContact CD1-CG1 3.99Å; L329-I338 HydrophobicContact CD1-CD1 4.17Å; V334-I338 WeakPolarHBondContact O-CG1 3.37Å; V334-I338 PolarHBondContact O-N 2.81Å; A335-I338 PolarHBondContact O-N 2.95Å; A335-I338 VanDerWaalsContact O-N 3.1Å; I338-L341 PolarHBondContact O-N 3.16Å; I338-S342 PolarHBondContact O-N 3.38Å; I338-F356 HydrophobicContact CG2-CE2 4.27Å; I338-F356 HydrophobicContact CG2-CZ 4.15Å; I338-L361 HydrophobicContact CG2-CD1 4.27Å; I338-L361 HydrophobicContact CG2-CD2 3.84Å; I338-C384 VanDerWaalsContact CG2-SG 3.56Å
339	I	91.3	Very high	84.2	Confident	7 Å²	7	35.6 Å²	35.6	4%	0.036	18%	0.181	C	C	.	.	H	α-helix	trans	-64.9	-48	176.9	-64.4	161.6	0	0	0	110.5	A335 D336 L341 S342 Q343 Y383 E387	A335-I339 VanDerWaalsContact O-CG1 3.3Å; A335-I339 WeakPolarHBondContact O-CG1 2.88Å; A335-I339 PolarHBondContact O-N 3.47Å; D336-I339 PolarHBondContact O-N 3.16Å; I339-L341 VanDerWaalsContact C-N 3.32Å; I339-L341 PolarHBondContact O-N 3.34Å; I339-S342 WeakPolarHBondContact O-CA 3.42Å; I339-S342 WeakPolarHBondContact O-CB 3.38Å; I339-S342 PolarHBondContact O-N 3.07Å; I339-S342 PolarHBondContact O-OG 2.8Å; I339-Q343 PolarHBondContact O-N 2.97Å; I339-Y383 HydrophobicContact CD1-CD1 3.75Å; I339-Y383 HydrophobicContact CD1-CE1 3.3Å; I339-Y383 HydrophobicContact CD1-CE2 4.5Å; I339-E387 HydrophobicContact CD1-CB 3.88Å; I339-E387 HydrophobicContact CD1-CG 4.22Å; I339-E387 HydrophobicContact CG1-CB 4.11Å; I339-E387 HydrophobicContact CG2-CB 4.17Å
340	Q	90.5	Very high	84.4	Confident	68 Å²	68	37.2 Å²	37.2	32%	0.318	19%	0.188	S	C	.	.	H	α-helix	trans	-69.9	-27	-179.6	-72	-60.7	-39.7	0	0	113.1	I301 D336 S342 Q343 Q344	I301-Q340 HydrophobicContact CB-CB 4.5Å; I301-Q340 HydrophobicContact CD1-CB 3.74Å; I301-Q340 HydrophobicContact CD1-CG 3.95Å; I301-Q340 HydrophobicContact CG1-CB 3.75Å; I301-Q340 HydrophobicContact CG1-CG 4.47Å; I301-Q340 HydrophobicContact CG2-CB 3.9Å; I301-Q340 HydrophobicContact CG2-CG 4.41Å; D336-Q340 WeakPolarHBondContact O-CB 3.48Å; D336-Q340 VanDerWaalsContact O-CG 3.28Å; D336-Q340 WeakPolarHBondContact O-CG 3.44Å; D336-Q340 PolarHBondContact O-N 3Å; Q340-S342 VanDerWaalsContact C-N 3.33Å; Q340-Q343 PolarHBondContact O-N 3.2Å; Q340-Q344 WeakPolarHBondContact O-CG 3.49Å; Q340-Q344 PolarHBondContact O-NE2 3.31Å
341	L	90.3	Very high	84.8	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-62.6	-38.7	165.2	-77.3	168.2	0	0	0	111.6	T304 L315 L337 I338 I339 Q343 Q344 I352 F356	T304-L341 HydrophobicContact CG2-CD2 3.77Å; L315-L341 HydrophobicContact CD1-CD2 4.14Å; L337-L341 HydrophobicContact CD1-CD1 4.31Å; L337-L341 HydrophobicContact CD1-CG 4.37Å; L337-L341 HydrophobicContact CG-CD1 4.21Å; L337-L341 WeakPolarHBondContact O-CB 3.48Å; L337-L341 WeakPolarHBondContact O-CD1 3.43Å; L337-L341 WeakPolarHBondContact O-CG 3.13Å; L337-L341 PolarHBondContact O-N 2.85Å; I338-L341 PolarHBondContact O-N 3.16Å; I339-L341 VanDerWaalsContact C-N 3.32Å; I339-L341 PolarHBondContact O-N 3.34Å; L341-Q343 VanDerWaalsContact C-N 3.29Å; L341-Q343 PolarHBondContact O-N 2.87Å; L341-Q344 VanDerWaalsContact O-CG 3.28Å; L341-Q344 WeakPolarHBondContact O-CG 3.39Å; L341-I352 WeakPolarHBondContact O-CD1 3.46Å; L341-F356 HydrophobicContact CB-CZ 3.99Å
342	S	88.1	Confident	85.2	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.9	-26.7	176.7	81.1	0	0	0	0	113.7	I338 I339 Q340	I338-S342 PolarHBondContact O-N 3.38Å; I339-S342 WeakPolarHBondContact O-CA 3.42Å; I339-S342 WeakPolarHBondContact O-CB 3.38Å; I339-S342 PolarHBondContact O-N 3.07Å; I339-S342 PolarHBondContact O-OG 2.8Å; Q340-S342 VanDerWaalsContact C-N 3.33Å
343	Q	87.9	Confident	85.7	Confident	77 Å²	77	32 Å²	32	36%	0.36	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-1.7	-175.3	-66.9	179.7	10.6	0	0	114.8	I339 Q340 L341 E345 V391	I339-Q343 PolarHBondContact O-N 2.97Å; Q340-Q343 PolarHBondContact O-N 3.2Å; L341-Q343 VanDerWaalsContact C-N 3.29Å; L341-Q343 PolarHBondContact O-N 2.87Å; Q343-E345 PolarHBondContact O-N 3.28Å; Q343-V391 HydrophobicContact CG-CG1 4.07Å; Q343-V391 HydrophobicContact CG-CG2 3.6Å; Q343-V391 VanDerWaalsContact NE2-CG2 3.27Å
344	Q	80.1	Confident	86	Confident	5 Å²	5	34.4 Å²	34.4	2%	0.023	16%	0.164	C	C	.	.			trans	-61	111.2	-171.2	-66.2	-65.4	-57.6	0	0	114.9	T304 Q340 L341 T346 Q349 I352	T304-Q344 PolarHBondContact O-OE1 3.36Å; T304-Q344 PolarHBondContact OG1-OE1 2.98Å; Q340-Q344 WeakPolarHBondContact O-CG 3.49Å; Q340-Q344 PolarHBondContact O-NE2 3.31Å; L341-Q344 VanDerWaalsContact O-CG 3.28Å; L341-Q344 WeakPolarHBondContact O-CG 3.39Å; Q344-T346 PolarHBondContact O-N 3.12Å; Q344-Q349 VanDerWaalsContact O-CD 3.24Å; Q344-Q349 WeakPolarHBondContact O-CG 3.43Å; Q344-Q349 PolarHBondContact O-NE2 2.89Å; Q344-I352 HydrophobicContact CB-CD1 4.11Å; Q344-I352 HydrophobicContact CG-CD1 4.1Å
345	E	71.5	Confident	86.2	Confident	169 Å²	169	34.5 Å²	34.5	79%	0.79	17%	0.165	S	C	*	.			trans	-68.5	4.4	-178.4	-58.8	-168	156.3	0	0	115.7	Q343 K347	Q343-E345 PolarHBondContact O-N 3.28Å; E345-K347 PolarHBondContact O-N 3.02Å
346	T	65.7	Low	86.5	Confident	40 Å²	40	34.6 Å²	34.6	25%	0.245	17%	0.165	C	C	.	.	S	Bend	trans	-72.9	17.6	-164.3	57.6	0	0	0	0	116	L305 Q344 Q348	L305-T346 VanDerWaalsContact O-CG2 3.25Å; L305-T346 WeakPolarHBondContact O-CG2 3.34Å; Q344-T346 PolarHBondContact O-N 3.12Å; T346-Q348 PolarHBondContact O-N 3.09Å
347	K	73.8	Confident	86.7	Confident	115 Å²	115	35.3 Å²	35.3	50%	0.5	17%	0.166	S	C	.	.	S	Bend	trans	55.5	24.8	-170	-63.9	-175.8	164.5	-90.3	0	114.1	E345 H350 D440	E345-K347 PolarHBondContact O-N 3.02Å; K347-H350 PolarHBondContact O-CE1 2.91Å; K347-D440 IonicContact NZ-OD1 2.74Å; K347-D440 IonicContact NZ-OD2 2.74Å
348	Q	79.1	Confident	86.8	Confident	32 Å²	32	39.5 Å²	39.5	15%	0.15	19%	0.191	C	C	.	.			trans	-122.7	9.3	-180	-66.9	-167.3	-59.6	0	0	114.1	G308 I312 T346 H350 I351 I352	G308-Q348 PolarHBondContact O-OE1 3.33Å; I312-Q348 HydrophobicContact CD1-CB 4.13Å; T346-Q348 PolarHBondContact O-N 3.09Å; Q348-H350 PolarHBondContact O-N 2.73Å; Q348-I351 HydrophobicContact CB-CD1 4.04Å; Q348-I351 HydrophobicContact CB-CG1 4.32Å; Q348-I351 HydrophobicContact CG-CD1 4.02Å; Q348-I351 WeakPolarHBondContact O-CA 3.41Å; Q348-I351 VanDerWaalsContact O-CB 3.3Å; Q348-I351 WeakPolarHBondContact O-CB 3.44Å; Q348-I351 PolarHBondContact O-N 3.34Å; Q348-I352 PolarHBondContact O-N 3.27Å
349	Q	86.8	Confident	86.8	Confident	23 Å²	23	42.2 Å²	42.2	11%	0.107	21%	0.206	C	C	.	.	H	α-helix	trans	-54.4	-35.7	177.7	-80	164.1	-41.1	0	0	113.3	Q344 I351 I352 F353 Y395 T443	Q344-Q349 VanDerWaalsContact O-CD 3.24Å; Q344-Q349 WeakPolarHBondContact O-CG 3.43Å; Q344-Q349 PolarHBondContact O-NE2 2.89Å; Q349-I351 PolarHBondContact O-N 3.25Å; Q349-I352 PolarHBondContact O-N 3.41Å; Q349-F353 HydrophobicContact CB-CD2 4.2Å; Q349-F353 HydrophobicContact CB-CE2 3.69Å; Q349-F353 HydrophobicContact CB-CZ 3.96Å; Q349-F353 HydrophobicContact CG-CE2 4.36Å; Q349-F353 HydrophobicContact CG-CZ 4.16Å; Q349-F353 WeakPolarHBondContact O-CD2 3.46Å; Q349-F353 VanDerWaalsContact O-CG 3.28Å; Q349-F353 WeakPolarHBondContact O-CG 3.21Å; Q349-F353 PolarHBondContact O-N 3.36Å; Q349-Y395 VanDerWaalsContact OE1-CE2 3.3Å; Q349-T443 HydrophobicContact CB-CG2 3.5Å; Q349-T443 VanDerWaalsContact CB-CG2 3.5Å
350	H	89.2	Confident	86.9	Confident	33 Å²	33	47.3 Å²	47.3	15%	0.153	23%	0.225	C	C	.	.	H	α-helix	trans	-56.2	-37.9	172.8	54.7	-89	0	0	0	112.8	K347 Q348 I352 E354 T443 A446	K347-H350 PolarHBondContact O-CE1 2.91Å; Q348-H350 PolarHBondContact O-N 2.73Å; H350-I352 VanDerWaalsContact C-N 3.34Å; H350-E354 WeakPolarHBondContact O-CB 3.48Å; H350-E354 PolarHBondContact O-N 3.33Å; H350-T443 HydrophobicContact CB-CG2 4.5Å; H350-T443 PolarHBondContact ND1-OG1 3.02Å; H350-A446 HydrophobicContact CB-CB 3.98Å
351	I	89.1	Confident	87.1	Confident	36 Å²	36	44 Å²	44	19%	0.185	21%	0.21	C	C	.	.	H	α-helix	trans	-67.9	-38.4	178.4	-45.8	-176.2	0	0	0	110.1	I312 Q348 Q349 W355	I312-I351 HydrophobicContact CG2-CG2 4.42Å; Q348-I351 HydrophobicContact CB-CD1 4.04Å; Q348-I351 HydrophobicContact CB-CG1 4.32Å; Q348-I351 HydrophobicContact CG-CD1 4.02Å; Q348-I351 WeakPolarHBondContact O-CA 3.41Å; Q348-I351 VanDerWaalsContact O-CB 3.3Å; Q348-I351 WeakPolarHBondContact O-CB 3.44Å; Q348-I351 PolarHBondContact O-N 3.34Å; Q349-I351 PolarHBondContact O-N 3.25Å; I351-W355 WeakPolarHBondContact O-CB 3.45Å; I351-W355 PolarHBondContact O-N 2.87Å
352	I	91.2	Very high	87.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-74.4	-46.5	-179.5	-55.5	-179.4	0	0	0	110.6	I312 L341 Q344 Q348 Q349 H350 W355 F356	I312-I352 HydrophobicContact CD1-CD1 3.85Å; I312-I352 HydrophobicContact CD1-CG1 4.37Å; I312-I352 HydrophobicContact CG1-CD1 4.25Å; I312-I352 HydrophobicContact CG2-CD1 4.41Å; I312-I352 HydrophobicContact CG2-CG1 3.86Å; L341-I352 WeakPolarHBondContact O-CD1 3.46Å; Q344-I352 HydrophobicContact CB-CD1 4.11Å; Q344-I352 HydrophobicContact CG-CD1 4.1Å; Q348-I352 PolarHBondContact O-N 3.27Å; Q349-I352 PolarHBondContact O-N 3.41Å; H350-I352 VanDerWaalsContact C-N 3.34Å; I352-W355 WeakPolarHBondContact O-CB 3.39Å; I352-W355 PolarHBondContact O-N 3.43Å; I352-F356 HydrophobicContact CG2-CD1 4.11Å; I352-F356 HydrophobicContact CG2-CD2 4.16Å; I352-F356 HydrophobicContact CG2-CE1 3.71Å; I352-F356 HydrophobicContact CG2-CE2 3.78Å; I352-F356 HydrophobicContact CG2-CG 4.34Å; I352-F356 HydrophobicContact CG2-CZ 3.55Å; I352-F356 WeakPolarHBondContact O-CB 3.19Å; I352-F356 WeakPolarHBondContact O-CD1 3.39Å; I352-F356 VanDerWaalsContact O-CG 3.31Å; I352-F356 WeakPolarHBondContact O-CG 3.43Å; I352-F356 PolarHBondContact O-N 3.47Å
353	F	93	Very high	87.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66	-44.2	179.7	-58.8	-30.3	0	0	0	112.2	Q349 W355 F356 K357 L392 T443 A446 A447 L450	Q349-F353 HydrophobicContact CB-CD2 4.2Å; Q349-F353 HydrophobicContact CB-CE2 3.69Å; Q349-F353 HydrophobicContact CB-CZ 3.96Å; Q349-F353 HydrophobicContact CG-CE2 4.36Å; Q349-F353 HydrophobicContact CG-CZ 4.16Å; Q349-F353 WeakPolarHBondContact O-CD2 3.46Å; Q349-F353 VanDerWaalsContact O-CG 3.28Å; Q349-F353 WeakPolarHBondContact O-CG 3.21Å; Q349-F353 PolarHBondContact O-N 3.36Å; F353-W355 VanDerWaalsContact C-N 3.31Å; F353-W355 PolarHBondContact O-N 3.32Å; F353-F356 PolarHBondContact O-N 2.82Å; F353-K357 VanDerWaalsContact O-CB 3.28Å; F353-K357 WeakPolarHBondContact O-CB 3.42Å; F353-K357 PolarHBondContact O-N 3.21Å; F353-L392 HydrophobicContact CD1-CD2 3.99Å; F353-L392 HydrophobicContact CD2-CD2 4.38Å; F353-L392 HydrophobicContact CE1-CD2 3.86Å; F353-L392 HydrophobicContact CE2-CD2 4.25Å; F353-L392 HydrophobicContact CG-CD2 4.27Å; F353-L392 HydrophobicContact CZ-CD2 4Å; F353-T443 HydrophobicContact CE2-CG2 4.27Å; F353-A446 HydrophobicContact CB-CB 4.01Å; F353-A446 HydrophobicContact CD2-CB 4.38Å; F353-A447 HydrophobicContact CD2-CB 3.72Å; F353-A447 HydrophobicContact CE2-CB 3.68Å; F353-L450 HydrophobicContact CB-CD2 4.2Å; F353-L450 HydrophobicContact CD1-CD2 4.19Å
354	E	91.2	Very high	87.9	Confident	61 Å²	61	44 Å²	44	29%	0.285	21%	0.207	S	C	.	.	H	α-helix	trans	-70.4	-25.9	173.6	-72.8	-66.9	146.2	0	0	112.4	H350 K357 T358 A446 N449	H350-E354 WeakPolarHBondContact O-CB 3.48Å; H350-E354 PolarHBondContact O-N 3.33Å; E354-K357 IonicContact OE1-NZ 3.6Å; E354-K357 PolarHBondContact OE1-NZ 3.14Å; E354-K357 IonicContact OE2-NZ 2.69Å; E354-K357 PolarHBondContact OE2-NZ 3.48Å; E354-T358 VanDerWaalsContact O-CB 3.25Å; E354-T358 WeakPolarHBondContact O-CB 3.38Å; E354-T358 PolarHBondContact O-N 2.8Å; E354-T358 PolarHBondContact O-OG1 3.02Å; E354-A446 HydrophobicContact CG-CB 3.89Å; E354-N449 PolarHBondContact OE1-ND2 3.37Å
355	W	92	Very high	88.7	Confident	3 Å²	3	43.7 Å²	43.7	1%	0.011	21%	0.206	C	C	.	.	H	α-helix	trans	-68.8	-51.2	170	173.2	33.1	0	0	0	111.7	L315 R316 F321 L322 I351 I352 F353 K357 T358 D359	L315-W355 HydrophobicContact CB-CH2 4.16Å; R316-W355 HydrophobicContact CB-CD2 4.12Å; R316-W355 HydrophobicContact CB-CE3 4.48Å; R316-W355 HydrophobicContact CB-CG 4.47Å; R316-W355 HydrophobicContact CB-CZ2 4.4Å; R316-W355 HydrophobicContact CG-CD2 4.12Å; R316-W355 HydrophobicContact CG-CG 3.97Å; F321-W355 AromaticContact CD1-CH2 3.84Å; F321-W355 HydrophobicContact CD1-CH2 3.84Å; F321-W355 HydrophobicContact CD1-CZ2 4.12Å; F321-W355 HydrophobicContact CE1-CH2 4.08Å; L322-W355 HydrophobicContact CD1-CZ2 4.01Å; L322-W355 HydrophobicContact CD2-CH2 4.23Å; L322-W355 HydrophobicContact CD2-CZ2 4.07Å; L322-W355 HydrophobicContact CG-CH2 4.47Å; L322-W355 HydrophobicContact CG-CZ2 3.82Å; I351-W355 WeakPolarHBondContact O-CB 3.45Å; I351-W355 PolarHBondContact O-N 2.87Å; I352-W355 WeakPolarHBondContact O-CB 3.39Å; I352-W355 PolarHBondContact O-N 3.43Å; F353-W355 VanDerWaalsContact C-N 3.31Å; F353-W355 PolarHBondContact O-N 3.32Å; W355-K357 PolarHBondContact O-N 3.05Å; W355-T358 PolarHBondContact O-N 3.47Å; W355-D359 VanDerWaalsContact NE1-CG 3.29Å; W355-D359 PolarHBondContact NE1-OD2 2.84Å; W355-D359 PolarHBondContact O-N 3.06Å
356	F	94.3	Very high	89.8	Confident	1 Å²	1	35.7 Å²	35.7	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-56.9	-36.8	176.7	-72.1	-0.5	0	0	0	112.1	I338 L341 I352 F353 R360 L361 L450	I338-F356 HydrophobicContact CG2-CE2 4.27Å; I338-F356 HydrophobicContact CG2-CZ 4.15Å; L341-F356 HydrophobicContact CB-CZ 3.99Å; I352-F356 HydrophobicContact CG2-CD1 4.11Å; I352-F356 HydrophobicContact CG2-CD2 4.16Å; I352-F356 HydrophobicContact CG2-CE1 3.71Å; I352-F356 HydrophobicContact CG2-CE2 3.78Å; I352-F356 HydrophobicContact CG2-CG 4.34Å; I352-F356 HydrophobicContact CG2-CZ 3.55Å; I352-F356 WeakPolarHBondContact O-CB 3.19Å; I352-F356 WeakPolarHBondContact O-CD1 3.39Å; I352-F356 VanDerWaalsContact O-CG 3.31Å; I352-F356 WeakPolarHBondContact O-CG 3.43Å; I352-F356 PolarHBondContact O-N 3.47Å; F353-F356 PolarHBondContact O-N 2.82Å; F356-R360 PolarHBondContact O-N 3.15Å; F356-L361 HydrophobicContact CB-CB 4.03Å; F356-L361 HydrophobicContact CB-CD2 3.98Å; F356-L361 HydrophobicContact CD1-CD2 4.21Å; F356-L361 HydrophobicContact CD2-CD2 3.56Å; F356-L361 HydrophobicContact CE2-CD2 3.96Å; F356-L361 HydrophobicContact CG-CB 4.48Å; F356-L361 HydrophobicContact CG-CD2 3.68Å; F356-L361 HydrophobicContact CZ-CD2 4.44Å; F356-L361 VanDerWaalsContact O-CB 3.3Å; F356-L361 WeakPolarHBondContact O-CB 3.46Å; F356-L361 PolarHBondContact O-N 3.43Å; F356-L450 HydrophobicContact CB-CD2 3.98Å; F356-L450 HydrophobicContact CD2-CD2 4.31Å
357	K	93.5	Very high	91.1	Very high	68 Å²	68	38.4 Å²	38.4	30%	0.296	18%	0.178	S	C	.	.	H	α-helix	trans	-69.8	-43.5	172.2	177.4	176.9	158.8	-137	0	113.2	F353 E354 W355 R360 N449 L450	F353-K357 VanDerWaalsContact O-CB 3.28Å; F353-K357 WeakPolarHBondContact O-CB 3.42Å; F353-K357 PolarHBondContact O-N 3.21Å; E354-K357 IonicContact OE1-NZ 3.6Å; E354-K357 PolarHBondContact OE1-NZ 3.14Å; E354-K357 IonicContact OE2-NZ 2.69Å; E354-K357 PolarHBondContact OE2-NZ 3.48Å; W355-K357 PolarHBondContact O-N 3.05Å; K357-R360 PolarHBondContact O-N 2.85Å; K357-N449 HydrophobicContact CD-CB 3.9Å; K357-N449 PolarHBondContact NZ-ND2 3.5Å; K357-L450 HydrophobicContact CB-CD1 4.17Å
358	T	92.2	Very high	92	Very high	88 Å²	88	33.9 Å²	33.9	54%	0.54	16%	0.159	S	C	.	.	H	α-helix	trans	-66.1	-42	179.7	-60.9	0	0	0	0	111.8	E354 W355 R360	E354-T358 VanDerWaalsContact O-CB 3.25Å; E354-T358 WeakPolarHBondContact O-CB 3.38Å; E354-T358 PolarHBondContact O-N 2.8Å; E354-T358 PolarHBondContact O-OG1 3.02Å; W355-T358 PolarHBondContact O-N 3.47Å; T358-R360 VanDerWaalsContact C-N 3.26Å; T358-R360 PolarHBondContact O-N 3Å
359	D	91.1	Very high	92.7	Very high	59 Å²	59	32.5 Å²	32.5	32%	0.316	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	8.9	-177.6	-69.5	28	0	0	0	112.6	L322 W355 L361 R364	L322-D359 HydrophobicContact CD1-CB 3.7Å; W355-D359 VanDerWaalsContact NE1-CG 3.29Å; W355-D359 PolarHBondContact NE1-OD2 2.84Å; W355-D359 PolarHBondContact O-N 3.06Å; D359-L361 PolarHBondContact O-N 3.07Å; D359-R364 WeakPolarHBondContact O-CD 3.12Å
360	R	93.9	Very high	93	Very high	114 Å²	114	34.1 Å²	34.1	43%	0.43	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	42	173.5	-52.9	-171.5	71.2	-152.2	1.5	114.6	F356 K357 T358 V362 E363 R364	F356-R360 PolarHBondContact O-N 3.15Å; K357-R360 PolarHBondContact O-N 2.85Å; T358-R360 VanDerWaalsContact C-N 3.26Å; T358-R360 PolarHBondContact O-N 3Å; R360-V362 PolarHBondContact O-N 3.42Å; R360-E363 WeakPolarHBondContact CA-OE2 3.29Å; R360-E363 IonicContact CZ-OE1 3.05Å; R360-E363 IonicContact NE-OE1 3.47Å; R360-E363 PolarHBondContact NE-OE1 2.83Å; R360-E363 IonicContact NH2-OE1 3.59Å; R360-E363 PolarHBondContact NH2-OE1 3.2Å; R360-E363 PolarHBondContact O-N 2.69Å; R360-R364 WeakPolarHBondContact O-CB 3.48Å; R360-R364 WeakPolarHBondContact O-CD 3.22Å; R360-R364 WeakPolarHBondContact O-CG 3.46Å; R360-R364 PolarHBondContact O-N 3.38Å
361	L	94.9	Very high	93	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-53.1	-41.1	-176.2	-172.2	82.6	0	0	0	112.4	L322 F326 I338 F356 D359 R364 L365 L388	L322-L361 HydrophobicContact CD1-CD1 4.31Å; L322-L361 HydrophobicContact CD2-CD1 4.31Å; F326-L361 HydrophobicContact CE2-CD1 3.98Å; F326-L361 HydrophobicContact CZ-CD1 3.74Å; F326-L361 HydrophobicContact CZ-CG 4.4Å; I338-L361 HydrophobicContact CG2-CD1 4.27Å; I338-L361 HydrophobicContact CG2-CD2 3.84Å; F356-L361 HydrophobicContact CB-CB 4.03Å; F356-L361 HydrophobicContact CB-CD2 3.98Å; F356-L361 HydrophobicContact CD1-CD2 4.21Å; F356-L361 HydrophobicContact CD2-CD2 3.56Å; F356-L361 HydrophobicContact CE2-CD2 3.96Å; F356-L361 HydrophobicContact CG-CB 4.48Å; F356-L361 HydrophobicContact CG-CD2 3.68Å; F356-L361 HydrophobicContact CZ-CD2 4.44Å; F356-L361 VanDerWaalsContact O-CB 3.3Å; F356-L361 WeakPolarHBondContact O-CB 3.46Å; F356-L361 PolarHBondContact O-N 3.43Å; D359-L361 PolarHBondContact O-N 3.07Å; L361-R364 PolarHBondContact O-N 2.55Å; L361-L365 HydrophobicContact CD2-CD1 4.32Å; L361-L365 HydrophobicContact CG-CD1 4.04Å; L361-L365 WeakPolarHBondContact O-CB 3.42Å; L361-L365 VanDerWaalsContact O-CG 3.32Å; L361-L365 WeakPolarHBondContact O-CG 3.44Å; L361-L365 PolarHBondContact O-N 2.89Å; L361-L388 HydrophobicContact CD2-CD2 4.1Å
362	V	95.9	Very high	93	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-51.4	-177.1	179.1	0	0	0	0	111	R360 R364 L365 I366 L385 L450 V453 L454 T459	R360-V362 PolarHBondContact O-N 3.42Å; V362-R364 VanDerWaalsContact C-N 3.28Å; V362-R364 PolarHBondContact O-N 3.41Å; V362-L365 PolarHBondContact O-N 3.22Å; V362-I366 HydrophobicContact CG1-CD1 4.14Å; V362-I366 WeakPolarHBondContact O-CG1 3.29Å; V362-I366 PolarHBondContact O-N 3.05Å; V362-I366 VanDerWaalsContact O-N 3.14Å; V362-L385 HydrophobicContact CG1-CD2 4.22Å; V362-L450 HydrophobicContact CG2-CD1 3.92Å; V362-V453 HydrophobicContact CB-CG1 4.26Å; V362-V453 HydrophobicContact CG1-CG1 4.37Å; V362-V453 HydrophobicContact CG2-CG1 4.32Å; V362-L454 HydrophobicContact CB-CD2 4.41Å; V362-L454 HydrophobicContact CG1-CD2 3.63Å; V362-L454 HydrophobicContact CG1-CG 4.14Å; V362-L454 HydrophobicContact CG2-CD1 4.49Å; V362-L454 HydrophobicContact CG2-CD2 3.91Å; V362-L454 HydrophobicContact CG2-CG 3.85Å; V362-T459 HydrophobicContact CG1-CG2 3.76Å
363	E	95.2	Very high	92.9	Very high	24 Å²	24	43.6 Å²	43.6	11%	0.112	21%	0.214	C	C	.	.	H	α-helix	trans	-65	-35.7	-179.5	-57.1	102.6	113.2	0	0	111.4	R360 I366 E367 M462	R360-E363 WeakPolarHBondContact CA-OE2 3.29Å; R360-E363 IonicContact CZ-OE1 3.05Å; R360-E363 IonicContact NE-OE1 3.47Å; R360-E363 PolarHBondContact NE-OE1 2.83Å; R360-E363 IonicContact NH2-OE1 3.59Å; R360-E363 PolarHBondContact NH2-OE1 3.2Å; R360-E363 PolarHBondContact O-N 2.69Å; E363-I366 CarbonylContact O-C 3.57Å; E363-I366 WeakPolarHBondContact O-CA 3.41Å; E363-I366 PolarHBondContact O-N 3.37Å; E363-I366 VanDerWaalsContact O-N 3.11Å; E363-E367 WeakPolarHBondContact O-CG 3.32Å; E363-E367 PolarHBondContact O-N 3.32Å; E363-M462 HydrophobicContact CB-CE 3.99Å; E363-M462 HydrophobicContact CB-SD 4.34Å; E363-M462 HydrophobicContact CG-CE 4.38Å; E363-M462 HydrophobicContact CG-SD 4.06Å
364	R	92.9	Very high	92.8	Very high	50 Å²	50	45.6 Å²	45.6	19%	0.189	23%	0.227	C	C	.	.	H	α-helix	trans	-72.3	-34	178.2	-66.9	173.3	66	159.7	13.4	113.7	D323 F326 D359 R360 L361 V362 I366 E367 K368	D323-R364 VanDerWaalsContact CA-NH2 3.32Å; D323-R364 IonicContact OD1-CZ 2.73Å; D323-R364 IonicContact OD1-NH1 3.61Å; D323-R364 PolarHBondContact OD1-NH1 3.12Å; D323-R364 IonicContact OD1-NH2 2.8Å; D323-R364 PolarHBondContact OD1-NH2 3.17Å; F326-R364 HydrophobicContact CD2-CB 4.35Å; F326-R364 HydrophobicContact CE1-CB 4.06Å; F326-R364 HydrophobicContact CE2-CB 3.67Å; F326-R364 HydrophobicContact CE2-CG 4.5Å; F326-R364 HydrophobicContact CZ-CB 3.5Å; F326-R364 VanDerWaalsContact CZ-CB 3.5Å; D359-R364 WeakPolarHBondContact O-CD 3.12Å; R360-R364 WeakPolarHBondContact O-CB 3.48Å; R360-R364 WeakPolarHBondContact O-CD 3.22Å; R360-R364 WeakPolarHBondContact O-CG 3.46Å; R360-R364 PolarHBondContact O-N 3.38Å; L361-R364 PolarHBondContact O-N 2.55Å; V362-R364 VanDerWaalsContact C-N 3.28Å; V362-R364 PolarHBondContact O-N 3.41Å; R364-I366 PolarHBondContact O-N 3.05Å; R364-E367 PolarHBondContact O-N 2.93Å; R364-K368 PolarHBondContact O-N 2.98Å
365	L	95.4	Very high	92.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-33.5	166.4	-76.5	162.9	0	0	0	111	F326 L329 L361 V362 K368 A381 C384 L385	F326-L365 HydrophobicContact CE1-CB 4.49Å; F326-L365 HydrophobicContact CE1-CD2 3.8Å; F326-L365 HydrophobicContact CE1-CG 3.81Å; F326-L365 HydrophobicContact CZ-CD2 4.45Å; F326-L365 HydrophobicContact CZ-CG 4.06Å; L329-L365 HydrophobicContact CD2-CD2 3.86Å; L361-L365 HydrophobicContact CD2-CD1 4.32Å; L361-L365 HydrophobicContact CG-CD1 4.04Å; L361-L365 WeakPolarHBondContact O-CB 3.42Å; L361-L365 VanDerWaalsContact O-CG 3.32Å; L361-L365 WeakPolarHBondContact O-CG 3.44Å; L361-L365 PolarHBondContact O-N 2.89Å; V362-L365 PolarHBondContact O-N 3.22Å; L365-K368 WeakPolarHBondContact O-CB 3.43Å; L365-K368 PolarHBondContact O-N 2.87Å; L365-A381 HydrophobicContact CD2-CB 4.29Å; L365-C384 HydrophobicContact CD1-CB 4.37Å; L365-C384 HydrophobicContact CD2-CB 3.92Å; L365-L385 HydrophobicContact CB-CD1 4.01Å; L365-L385 HydrophobicContact CB-CD2 3.81Å; L365-L385 HydrophobicContact CB-CG 3.79Å; L365-L385 HydrophobicContact CD1-CD2 3.72Å; L365-L385 HydrophobicContact CD1-CG 3.93Å; L365-L385 HydrophobicContact CG-CD2 4.4Å; L365-L385 HydrophobicContact CG-CG 4.38Å
366	I	95.9	Very high	92.7	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-81.9	-22.6	177.6	-62.9	165.5	0	0	0	112.5	V362 E363 R364 K368 F369 L385 T459 M462 L463 R466	V362-I366 HydrophobicContact CG1-CD1 4.14Å; V362-I366 WeakPolarHBondContact O-CG1 3.29Å; V362-I366 PolarHBondContact O-N 3.05Å; V362-I366 VanDerWaalsContact O-N 3.14Å; E363-I366 CarbonylContact O-C 3.57Å; E363-I366 WeakPolarHBondContact O-CA 3.41Å; E363-I366 PolarHBondContact O-N 3.37Å; E363-I366 VanDerWaalsContact O-N 3.11Å; R364-I366 PolarHBondContact O-N 3.05Å; I366-K368 PolarHBondContact O-N 2.66Å; I366-F369 HydrophobicContact CB-CD2 4.31Å; I366-F369 HydrophobicContact CG1-CD2 4.41Å; I366-F369 HydrophobicContact CG1-CE2 4.17Å; I366-F369 HydrophobicContact CG2-CD2 4.2Å; I366-F369 PolarHBondContact O-N 2.73Å; I366-L385 HydrophobicContact CG1-CD1 3.88Å; I366-T459 HydrophobicContact CD1-CG2 3.48Å; I366-T459 VanDerWaalsContact CD1-CG2 3.48Å; I366-M462 HydrophobicContact CB-CE 4.21Å; I366-M462 HydrophobicContact CG2-CB 3.81Å; I366-M462 HydrophobicContact CG2-CE 3.97Å; I366-L463 HydrophobicContact CD1-CD2 4.13Å; I366-L463 HydrophobicContact CD1-CG 4.09Å; I366-L463 HydrophobicContact CG1-CD2 3.95Å; I366-L463 HydrophobicContact CG1-CG 4.44Å; I366-L463 HydrophobicContact CG2-CD2 4.33Å; I366-R466 HydrophobicContact CG2-CG 4.05Å; I366-R466 PolarHBondContact O-NE 3.08Å; I366-R466 PolarHBondContact O-NH2 3.47Å
367	E	93.3	Very high	92.6	Very high	96 Å²	96	48.7 Å²	48.7	45%	0.449	25%	0.25	S	C	.	.	H	α-helix	trans	-65.2	-20.8	165.4	-74	166	178.6	0	0	112.8	E363 R364 F369	E363-E367 WeakPolarHBondContact O-CG 3.32Å; E363-E367 PolarHBondContact O-N 3.32Å; R364-E367 PolarHBondContact O-N 2.93Å; E367-F369 VanDerWaalsContact C-N 3.32Å; E367-F369 PolarHBondContact O-N 3.27Å
368	K	92.5	Very high	92.6	Very high	21 Å²	21	45.4 Å²	45.4	9%	0.091	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-16.7	173.8	-70	-58.5	-161.2	166.1	0	115.4	F326 L329 R364 L365 I366 D370 H373 H378 A381	F326-K368 HydrophobicContact CD1-CG 4.34Å; F326-K368 WeakPolarHBondContact O-CE 3.25Å; F326-K368 PolarHBondContact O-NZ 3.01Å; L329-K368 HydrophobicContact CD2-CG 3.98Å; R364-K368 PolarHBondContact O-N 2.98Å; L365-K368 WeakPolarHBondContact O-CB 3.43Å; L365-K368 PolarHBondContact O-N 2.87Å; I366-K368 PolarHBondContact O-N 2.66Å; K368-D370 PolarHBondContact O-N 2.92Å; K368-H373 PolarHBondContact NZ-CE1 2.91Å; K368-H373 PolarHBondContact O-CD2 2.82Å; K368-H378 PolarHBondContact O-CD2 3.49Å; K368-H378 PolarHBondContact O-NE2 3.19Å; K368-H378 VanDerWaalsContact O-NE2 3.17Å; K368-A381 HydrophobicContact CB-CB 4.02Å
369	F	94.3	Very high	92.7	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.013	23%	0.229	C	C	.	.			trans	-80.5	60.2	176.8	-61.2	-50.5	0	0	0	112.3	I366 E367 H378 A381 A382 L385 L463 R466 I477 C481 V484	I366-F369 HydrophobicContact CB-CD2 4.31Å; I366-F369 HydrophobicContact CG1-CD2 4.41Å; I366-F369 HydrophobicContact CG1-CE2 4.17Å; I366-F369 HydrophobicContact CG2-CD2 4.2Å; I366-F369 PolarHBondContact O-N 2.73Å; E367-F369 VanDerWaalsContact C-N 3.32Å; E367-F369 PolarHBondContact O-N 3.27Å; F369-H378 HydrophobicContact CD1-CB 4.45Å; F369-H378 WeakPolarHBondContact CE1-O 3.49Å; F369-A381 HydrophobicContact CE1-CB 4.01Å; F369-A381 HydrophobicContact CZ-CB 4.17Å; F369-A382 HydrophobicContact CE1-CB 4.21Å; F369-A382 HydrophobicContact CZ-CB 4.08Å; F369-L385 HydrophobicContact CE2-CD1 3.74Å; F369-L385 HydrophobicContact CZ-CD1 3.93Å; F369-L463 HydrophobicContact CD2-CD2 4.14Å; F369-L463 HydrophobicContact CE2-CD2 3.77Å; F369-R466 HydrophobicContact CB-CB 4.02Å; F369-R466 HydrophobicContact CB-CG 3.87Å; F369-R466 WeakPolarHBondContact O-CD 3.44Å; F369-I477 HydrophobicContact CB-CG2 4.15Å; F369-C481 WeakPolarHBondContact CD2-SG 3.42Å; F369-C481 VanDerWaalsContact CG-SG 3.54Å; F369-V484 HydrophobicContact CZ-CG2 4.43Å
370	D	91.5	Very high	92.8	Very high	56 Å²	56	43.1 Å²	43.1	30%	0.299	22%	0.218	S	C	.	.	S	Bend	trans	-132.2	136.1	-179.7	-172.1	-74.2	0	0	0	110	K368 I372 H373 H378	K368-D370 PolarHBondContact O-N 2.92Å; D370-I372 PolarHBondContact O-N 3.36Å; D370-I372 WeakPolarHBondContact OD1-CB 3.06Å; D370-I372 WeakPolarHBondContact OD1-CD1 3.3Å; D370-I372 VanDerWaalsContact OD1-CG1 3.29Å; D370-I372 WeakPolarHBondContact OD1-CG1 3.48Å; D370-I372 PolarHBondContact OD1-N 2.95Å; D370-H373 PolarHBondContact O-N 3.09Å; D370-H378 PolarHBondContact O-NE2 2.86Å; D370-H378 VanDerWaalsContact O-NE2 3.15Å
371	P	89.8	Confident	92.8	Very high	62 Å²	62	37.7 Å²	37.7	40%	0.403	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-1	-177	-23.8	34.3	0	0	0	116.8	H373 I477	P371-H373 VanDerWaalsContact C-N 3.29Å; P371-I477 HydrophobicContact CG-CD1 3.82Å
372	I	89.4	Confident	92.9	Very high	145 Å²	145	37.9 Å²	37.9	74%	0.744	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-20.3	166.5	-66.1	167.7	0	0	0	111.8	D370	D370-I372 PolarHBondContact O-N 3.36Å; D370-I372 WeakPolarHBondContact OD1-CB 3.06Å; D370-I372 WeakPolarHBondContact OD1-CD1 3.3Å; D370-I372 VanDerWaalsContact OD1-CG1 3.29Å; D370-I372 WeakPolarHBondContact OD1-CG1 3.48Å; D370-I372 PolarHBondContact OD1-N 2.95Å
373	H	89.3	Confident	92.9	Very high	62 Å²	62	41.7 Å²	41.7	29%	0.287	21%	0.214	S	C	.	.	S	Bend	trans	-100	165.3	-178.8	-65.6	-42.6	0	0	0	112.9	K368 D370 P371 A377 H378	K368-H373 PolarHBondContact NZ-CE1 2.91Å; K368-H373 PolarHBondContact O-CD2 2.82Å; D370-H373 PolarHBondContact O-N 3.09Å; P371-H373 VanDerWaalsContact C-N 3.29Å; H373-A377 HydrophobicContact CB-CB 4.25Å; H373-H378 PolarHBondContact O-CE1 3.37Å
374	S	90.4	Very high	92.9	Very high	41 Å²	41	40.6 Å²	40.6	29%	0.287	21%	0.209	S	C	.	.			trans	-82	158.4	-175.8	76.9	0	0	0	0	112.4	D330 D376 A377 H378	D330-S374 WeakPolarHBondContact OD2-CB 3.39Å; D330-S374 PolarHBondContact OD2-OG 3.41Å; S374-D376 PolarHBondContact O-N 2.92Å; S374-D376 PolarHBondContact OG-N 3.42Å; S374-A377 WeakPolarHBondContact O-CB 3.39Å; S374-A377 PolarHBondContact O-N 3.1Å; S374-A377 VanDerWaalsContact O-N 3.1Å; S374-A377 WeakPolarHBondContact OG-CB 3.45Å; S374-A377 PolarHBondContact OG-N 3.2Å; S374-H378 VanDerWaalsContact O-CG 3.26Å; S374-H378 PolarHBondContact O-N 2.87Å; S374-H378 PolarHBondContact O-ND1 3.42Å
375	S	90.7	Very high	93.1	Very high	47 Å²	47	38.3 Å²	38.3	33%	0.329	20%	0.201	S	C	.	.	H	α-helix	trans	-57	-35.7	170.5	-169.3	0	0	0	0	112.2	H378 E379 S476	S375-H378 PolarHBondContact O-N 2.97Å; S375-E379 WeakPolarHBondContact O-CG 3.23Å; S375-E379 PolarHBondContact O-N 3.49Å; S375-S476 WeakPolarHBondContact OG-CB 3.35Å
376	D	90.2	Very high	93.1	Very high	83 Å²	83	38.5 Å²	38.5	44%	0.444	20%	0.202	S	C	.	.	H	α-helix	trans	-68.1	-36.2	177.5	-65.7	-30.2	0	0	0	111.3	S374 S380	S374-D376 PolarHBondContact O-N 2.92Å; S374-D376 PolarHBondContact OG-N 3.42Å; D376-S380 WeakPolarHBondContact O-CB 3.26Å; D376-S380 PolarHBondContact O-N 3.36Å; D376-S380 PolarHBondContact O-OG 3.36Å
377	A	92.3	Very high	93	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.2	-39.4	171.1	0	0	0	0	0	112.2	H373 S374 A381	H373-A377 HydrophobicContact CB-CB 4.25Å; S374-A377 WeakPolarHBondContact O-CB 3.39Å; S374-A377 PolarHBondContact O-N 3.1Å; S374-A377 VanDerWaalsContact O-N 3.1Å; S374-A377 WeakPolarHBondContact OG-CB 3.45Å; S374-A377 PolarHBondContact OG-N 3.2Å; A377-A381 WeakPolarHBondContact O-CB 3.18Å; A377-A381 PolarHBondContact O-N 2.91Å
378	H	94.1	Very high	93.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65	-45.4	176.6	-59.7	147	0	0	0	111.7	K368 F369 D370 H373 S374 S375 A382 E474 S476 I477 S480	K368-H378 PolarHBondContact O-CD2 3.49Å; K368-H378 PolarHBondContact O-NE2 3.19Å; K368-H378 VanDerWaalsContact O-NE2 3.17Å; F369-H378 HydrophobicContact CD1-CB 4.45Å; F369-H378 WeakPolarHBondContact CE1-O 3.49Å; D370-H378 PolarHBondContact O-NE2 2.86Å; D370-H378 VanDerWaalsContact O-NE2 3.15Å; H373-H378 PolarHBondContact O-CE1 3.37Å; S374-H378 VanDerWaalsContact O-CG 3.26Å; S374-H378 PolarHBondContact O-N 2.87Å; S374-H378 PolarHBondContact O-ND1 3.42Å; S375-H378 PolarHBondContact O-N 2.97Å; H378-A382 PolarHBondContact O-N 3.05Å; H378-A382 VanDerWaalsContact O-N 3.12Å; H378-E474 IonicContact CE1-OE2 3.17Å; H378-E474 PolarHBondContact CE1-OE2 3.41Å; H378-E474 IonicContact ND1-OE1 3.37Å; H378-E474 IonicContact ND1-OE2 2.95Å; H378-S476 PolarHBondContact ND1-OG 2.86Å; H378-I477 VanDerWaalsContact CE1-CG1 3.44Å; H378-I477 WeakPolarHBondContact CE1-CG1 3.2Å; H378-S480 PolarHBondContact O-OG 2.9Å
379	E	93.6	Very high	93.3	Very high	84 Å²	84	35 Å²	35	39%	0.393	19%	0.186	S	C	.	.	H	α-helix	trans	-67.3	-41.5	177.1	-69.9	-176.1	-163.8	0	0	111.1	S375 A382 Y383	S375-E379 WeakPolarHBondContact O-CG 3.23Å; S375-E379 PolarHBondContact O-N 3.49Å; E379-A382 PolarHBondContact O-N 3.28Å; E379-Y383 WeakPolarHBondContact O-CB 3.2Å; E379-Y383 PolarHBondContact O-N 3.26Å
380	S	92.6	Very high	93.2	Very high	14 Å²	14	37.4 Å²	37.4	10%	0.098	20%	0.201	C	C	.	.	H	α-helix	trans	-67.8	-36.4	177.7	-57.8	0	0	0	0	113.5	L329 D376 Y383 C384	L329-S380 WeakPolarHBondContact O-CB 3.43Å; L329-S380 PolarHBondContact O-OG 2.97Å; D376-S380 WeakPolarHBondContact O-CB 3.26Å; D376-S380 PolarHBondContact O-N 3.36Å; D376-S380 PolarHBondContact O-OG 3.36Å; S380-Y383 PolarHBondContact O-N 3.09Å; S380-C384 WeakPolarHBondContact O-CB 3.41Å; S380-C384 PolarHBondContact O-N 3.04Å
381	A	95.5	Very high	93.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.7	-41.8	174.2	0	0	0	0	0	112	L329 L365 K368 F369 A377 L385	L329-A381 HydrophobicContact CD2-CB 3.84Å; L365-A381 HydrophobicContact CD2-CB 4.29Å; K368-A381 HydrophobicContact CB-CB 4.02Å; F369-A381 HydrophobicContact CE1-CB 4.01Å; F369-A381 HydrophobicContact CZ-CB 4.17Å; A377-A381 WeakPolarHBondContact O-CB 3.18Å; A377-A381 PolarHBondContact O-N 2.91Å; A381-L385 WeakPolarHBondContact O-CG 3.34Å; A381-L385 PolarHBondContact O-N 2.91Å
382	A	96.1	Very high	93.5	Very high	5 Å²	5	32.6 Å²	32.6	4%	0.041	17%	0.172	C	C	.	.	H	α-helix	trans	-67.4	-41	174.2	0	0	0	0	0	112.3	F369 H378 E379 L385 I386 V484	F369-A382 HydrophobicContact CE1-CB 4.21Å; F369-A382 HydrophobicContact CZ-CB 4.08Å; H378-A382 PolarHBondContact O-N 3.05Å; H378-A382 VanDerWaalsContact O-N 3.12Å; E379-A382 PolarHBondContact O-N 3.28Å; A382-L385 PolarHBondContact O-N 2.64Å; A382-I386 WeakPolarHBondContact O-CB 3.39Å; A382-I386 WeakPolarHBondContact O-CD1 3.3Å; A382-I386 WeakPolarHBondContact O-CG1 3.41Å; A382-I386 PolarHBondContact O-N 2.9Å; A382-V484 HydrophobicContact CB-CG2 3.87Å
383	Y	95	Very high	93.6	Very high	82 Å²	82	26.5 Å²	26.5	32%	0.322	14%	0.14	S	C	.	.	H	α-helix	trans	-56	-51.4	173.3	176.6	-120.7	0	0	0	111.2	A335 I339 E379 S380 L385 I386 E387	A335-Y383 HydrophobicContact CB-CD1 4.13Å; I339-Y383 HydrophobicContact CD1-CD1 3.75Å; I339-Y383 HydrophobicContact CD1-CE1 3.3Å; I339-Y383 HydrophobicContact CD1-CE2 4.5Å; E379-Y383 WeakPolarHBondContact O-CB 3.2Å; E379-Y383 PolarHBondContact O-N 3.26Å; S380-Y383 PolarHBondContact O-N 3.09Å; Y383-L385 PolarHBondContact O-N 2.8Å; Y383-I386 PolarHBondContact O-N 3.21Å; Y383-E387 HydrophobicContact CD2-CG 3.78Å; Y383-E387 HydrophobicContact CE2-CG 3.34Å; Y383-E387 PolarHBondContact O-N 3.5Å
384	C	95.4	Very high	93.6	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	15%	0.148	C	C	.	.	H	α-helix	trans	-60.3	-40.8	177.8	-171.4	0	0	0	0	113.1	A335 I338 L365 S380 L388	A335-C384 HydrophobicContact CB-CB 4.28Å; I338-C384 VanDerWaalsContact CG2-SG 3.56Å; L365-C384 HydrophobicContact CD1-CB 4.37Å; L365-C384 HydrophobicContact CD2-CB 3.92Å; S380-C384 WeakPolarHBondContact O-CB 3.41Å; S380-C384 PolarHBondContact O-N 3.04Å; C384-L388 WeakPolarHBondContact O-CB 3.49Å; C384-L388 PolarHBondContact O-N 3.03Å; C384-L388 VanDerWaalsContact O-N 3.1Å
385	L	97.2	Very high	93.6	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-65.9	-43.4	176	-77.4	169	0	0	0	112.2	V362 L365 I366 F369 A381 A382 Y383 I389 L454 V484	V362-L385 HydrophobicContact CG1-CD2 4.22Å; L365-L385 HydrophobicContact CB-CD1 4.01Å; L365-L385 HydrophobicContact CB-CD2 3.81Å; L365-L385 HydrophobicContact CB-CG 3.79Å; L365-L385 HydrophobicContact CD1-CD2 3.72Å; L365-L385 HydrophobicContact CD1-CG 3.93Å; L365-L385 HydrophobicContact CG-CD2 4.4Å; L365-L385 HydrophobicContact CG-CG 4.38Å; I366-L385 HydrophobicContact CG1-CD1 3.88Å; F369-L385 HydrophobicContact CE2-CD1 3.74Å; F369-L385 HydrophobicContact CZ-CD1 3.93Å; A381-L385 WeakPolarHBondContact O-CG 3.34Å; A381-L385 PolarHBondContact O-N 2.91Å; A382-L385 PolarHBondContact O-N 2.64Å; Y383-L385 PolarHBondContact O-N 2.8Å; L385-I389 WeakPolarHBondContact O-CD1 3.34Å; L385-I389 VanDerWaalsContact O-CG1 3.31Å; L385-I389 WeakPolarHBondContact O-CG1 3.17Å; L385-I389 PolarHBondContact O-N 3.36Å; L385-I389 VanDerWaalsContact O-N 3.1Å; L385-L454 HydrophobicContact CD2-CD2 3.84Å; L385-V484 HydrophobicContact CB-CG1 4.24Å; L385-V484 HydrophobicContact CB-CG2 3.98Å; L385-V484 HydrophobicContact CD1-CG1 4.38Å; L385-V484 HydrophobicContact CD1-CG2 4.03Å
386	I	95.8	Very high	93.5	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.026	12%	0.124	C	C	.	.	H	α-helix	trans	-70.2	-46.4	-177.1	-64.2	161.1	0	0	0	110.8	A382 Y383 L388 I389 T390 N483 V484 A487	A382-I386 WeakPolarHBondContact O-CB 3.39Å; A382-I386 WeakPolarHBondContact O-CD1 3.3Å; A382-I386 WeakPolarHBondContact O-CG1 3.41Å; A382-I386 PolarHBondContact O-N 2.9Å; Y383-I386 PolarHBondContact O-N 3.21Å; I386-L388 VanDerWaalsContact C-N 3.28Å; I386-L388 PolarHBondContact O-N 2.92Å; I386-I389 WeakPolarHBondContact O-CB 3.28Å; I386-I389 PolarHBondContact O-N 2.91Å; I386-I389 VanDerWaalsContact O-N 3.11Å; I386-T390 PolarHBondContact O-N 2.86Å; I386-T390 PolarHBondContact O-OG1 3.09Å; I386-T390 VanDerWaalsContact O-OG1 3.13Å; I386-N483 HydrophobicContact CD1-CB 3.97Å; I386-V484 HydrophobicContact CD1-CG2 4.36Å; I386-V484 HydrophobicContact CG1-CB 4.49Å; I386-V484 HydrophobicContact CG1-CG2 4.06Å; I386-A487 HydrophobicContact CB-CB 4.24Å; I386-A487 HydrophobicContact CG1-CB 3.89Å; I386-A487 HydrophobicContact CG2-CB 3.6Å
387	E	94.9	Very high	93.4	Very high	38 Å²	38	21.9 Å²	21.9	18%	0.178	11%	0.109	C	C	.	.	H	α-helix	trans	-69.7	-27.4	178.8	-60.4	-43.9	136.4	0	0	112.4	I339 Y383 T390 V391 R492	I339-E387 HydrophobicContact CD1-CB 3.88Å; I339-E387 HydrophobicContact CD1-CG 4.22Å; I339-E387 HydrophobicContact CG1-CB 4.11Å; I339-E387 HydrophobicContact CG2-CB 4.17Å; Y383-E387 HydrophobicContact CD2-CG 3.78Å; Y383-E387 HydrophobicContact CE2-CG 3.34Å; Y383-E387 PolarHBondContact O-N 3.5Å; E387-T390 WeakPolarHBondContact O-CB 3.22Å; E387-T390 PolarHBondContact O-N 3.46Å; E387-T390 PolarHBondContact OE2-OG1 3.26Å; E387-V391 WeakPolarHBondContact O-CB 3.01Å; E387-V391 VanDerWaalsContact O-CG2 3.25Å; E387-V391 WeakPolarHBondContact O-CG2 3.17Å; E387-V391 PolarHBondContact O-N 3.32Å; E387-R492 IonicContact OE1-NH1 2.67Å; E387-R492 PolarHBondContact OE1-NH1 3.39Å
388	L	95.4	Very high	93.1	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-65.1	-39.6	168.8	-175.1	61.7	0	0	0	111.9	L361 C384 I386 L392 L450 L454	L361-L388 HydrophobicContact CD2-CD2 4.1Å; C384-L388 WeakPolarHBondContact O-CB 3.49Å; C384-L388 PolarHBondContact O-N 3.03Å; C384-L388 VanDerWaalsContact O-N 3.1Å; I386-L388 VanDerWaalsContact C-N 3.28Å; I386-L388 PolarHBondContact O-N 2.92Å; L388-L392 HydrophobicContact CD1-CD1 3.94Å; L388-L392 HydrophobicContact CD1-CG 4.13Å; L388-L392 HydrophobicContact CG-CD1 3.85Å; L388-L392 HydrophobicContact CG-CG 4.45Å; L388-L392 WeakPolarHBondContact O-CB 3.34Å; L388-L392 WeakPolarHBondContact O-CD1 3.48Å; L388-L392 WeakPolarHBondContact O-CG 3.38Å; L388-L392 PolarHBondContact O-N 3.5Å; L388-L450 HydrophobicContact CD1-CD2 4.37Å; L388-L450 HydrophobicContact CD2-CD2 4.48Å; L388-L454 HydrophobicContact CD2-CD1 4.13Å; L388-L454 HydrophobicContact CG-CD1 4.08Å
389	I	95.1	Very high	92.7	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.015	15%	0.154	C	C	.	.	H	α-helix	trans	-61.6	-46.1	171.5	-66.1	158.2	0	0	0	110.3	L385 I386 L392 R393 L451 L454 V484 A487 L488	L385-I389 WeakPolarHBondContact O-CD1 3.34Å; L385-I389 VanDerWaalsContact O-CG1 3.31Å; L385-I389 WeakPolarHBondContact O-CG1 3.17Å; L385-I389 PolarHBondContact O-N 3.36Å; L385-I389 VanDerWaalsContact O-N 3.1Å; I386-I389 WeakPolarHBondContact O-CB 3.28Å; I386-I389 PolarHBondContact O-N 2.91Å; I386-I389 VanDerWaalsContact O-N 3.11Å; I389-L392 PolarHBondContact O-N 3.43Å; I389-R393 WeakPolarHBondContact O-CB 3.4Å; I389-R393 WeakPolarHBondContact O-CG 3.14Å; I389-R393 PolarHBondContact O-N 2.96Å; I389-L451 HydrophobicContact CG2-CD1 4.44Å; I389-L454 HydrophobicContact CD1-CD2 4.45Å; I389-L454 HydrophobicContact CG1-CB 4.37Å; I389-L454 HydrophobicContact CG1-CD1 4.01Å; I389-L454 HydrophobicContact CG1-CD2 4.14Å; I389-L454 HydrophobicContact CG1-CG 4.41Å; I389-V484 HydrophobicContact CD1-CG1 4.39Å; I389-A487 HydrophobicContact CD1-CB 4.43Å; I389-L488 HydrophobicContact CD1-CD2 3.53Å; I389-L488 HydrophobicContact CD1-CG 3.75Å; I389-L488 HydrophobicContact CG1-CD2 4.1Å
390	T	93.4	Very high	92	Very high	53 Å²	53	28.6 Å²	28.6	33%	0.325	15%	0.151	S	C	.	.	H	α-helix	trans	-58	-50.6	177.1	-56	0	0	0	0	111.6	I386 E387 N394	I386-T390 PolarHBondContact O-N 2.86Å; I386-T390 PolarHBondContact O-OG1 3.09Å; I386-T390 VanDerWaalsContact O-OG1 3.13Å; E387-T390 WeakPolarHBondContact O-CB 3.22Å; E387-T390 PolarHBondContact O-N 3.46Å; E387-T390 PolarHBondContact OE2-OG1 3.26Å; T390-N394 VanDerWaalsContact O-CB 3.26Å; T390-N394 WeakPolarHBondContact O-CB 3.42Å; T390-N394 PolarHBondContact O-N 3.23Å; T390-N394 PolarHBondContact O-ND2 3.21Å
391	V	92.2	Very high	90.9	Very high	16 Å²	16	30.5 Å²	30.5	10%	0.097	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-46.6	-179.4	170.4	0	0	0	0	111.3	Q343 E387 N394 Y395	Q343-V391 HydrophobicContact CG-CG1 4.07Å; Q343-V391 HydrophobicContact CG-CG2 3.6Å; Q343-V391 VanDerWaalsContact NE2-CG2 3.27Å; E387-V391 WeakPolarHBondContact O-CB 3.01Å; E387-V391 VanDerWaalsContact O-CG2 3.25Å; E387-V391 WeakPolarHBondContact O-CG2 3.17Å; E387-V391 PolarHBondContact O-N 3.32Å; V391-N394 PolarHBondContact O-N 3.31Å; V391-Y395 WeakPolarHBondContact O-CB 3.45Å; V391-Y395 PolarHBondContact O-N 3.42Å
392	L	94.1	Very high	89	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.5	-43	-178	-69.6	168.2	0	0	0	112	F353 L388 I389 Y395 L396 A447 L450 L451 L454	F353-L392 HydrophobicContact CD1-CD2 3.99Å; F353-L392 HydrophobicContact CD2-CD2 4.38Å; F353-L392 HydrophobicContact CE1-CD2 3.86Å; F353-L392 HydrophobicContact CE2-CD2 4.25Å; F353-L392 HydrophobicContact CG-CD2 4.27Å; F353-L392 HydrophobicContact CZ-CD2 4Å; L388-L392 HydrophobicContact CD1-CD1 3.94Å; L388-L392 HydrophobicContact CD1-CG 4.13Å; L388-L392 HydrophobicContact CG-CD1 3.85Å; L388-L392 HydrophobicContact CG-CG 4.45Å; L388-L392 WeakPolarHBondContact O-CB 3.34Å; L388-L392 WeakPolarHBondContact O-CD1 3.48Å; L388-L392 WeakPolarHBondContact O-CG 3.38Å; L388-L392 PolarHBondContact O-N 3.5Å; I389-L392 PolarHBondContact O-N 3.43Å; L392-Y395 WeakPolarHBondContact O-CB 3.39Å; L392-Y395 PolarHBondContact O-N 3.33Å; L392-L396 WeakPolarHBondContact O-CG 3.37Å; L392-L396 PolarHBondContact O-N 3.48Å; L392-L396 VanDerWaalsContact O-N 3.07Å; L392-A447 HydrophobicContact CD2-CB 3.87Å; L392-L450 HydrophobicContact CD1-CB 4.16Å; L392-L450 HydrophobicContact CD1-CD2 3.98Å; L392-L450 HydrophobicContact CD1-CG 3.8Å; L392-L450 HydrophobicContact CD2-CB 4.48Å; L392-L450 HydrophobicContact CD2-CD2 4.31Å; L392-L451 HydrophobicContact CB-CB 4.17Å; L392-L451 HydrophobicContact CB-CD1 4.26Å; L392-L451 HydrophobicContact CD1-CB 4.27Å; L392-L454 HydrophobicContact CD1-CD1 3.63Å
393	R	91.5	Very high	86.6	Confident	17 Å²	17	40 Å²	40	6%	0.064	21%	0.213	C	C	.	.	H	α-helix	trans	-62.7	-49.1	174.6	-74.6	178.1	177.2	168.5	-0.3	111.4	I389 Y395 L396 V397 L451 E455 A487 L488 D577	I389-R393 WeakPolarHBondContact O-CB 3.4Å; I389-R393 WeakPolarHBondContact O-CG 3.14Å; I389-R393 PolarHBondContact O-N 2.96Å; R393-Y395 PolarHBondContact O-N 3.47Å; R393-L396 PolarHBondContact O-N 2.97Å; R393-V397 VanDerWaalsContact O-CB 3.32Å; R393-V397 WeakPolarHBondContact O-CB 3.43Å; R393-V397 WeakPolarHBondContact O-CG2 3.16Å; R393-V397 PolarHBondContact O-N 3.42Å; R393-L451 HydrophobicContact CG-CD1 4.23Å; R393-L451 HydrophobicContact CG-CD2 3.68Å; R393-E455 IonicContact CZ-OE1 3.37Å; R393-E455 IonicContact NE-OE1 2.61Å; R393-E455 PolarHBondContact NE-OE1 2.72Å; R393-E455 IonicContact NH2-OE1 2.73Å; R393-E455 PolarHBondContact NH2-OE1 3.11Å; R393-A487 PolarHBondContact NH1-O 3.48Å; R393-L488 PolarHBondContact NH2-O 2.97Å; R393-D577 WeakPolarHBondContact CD-OD1 3.46Å
394	N	90.3	Very high	84	Confident	85 Å²	85	43.9 Å²	43.9	46%	0.455	24%	0.239	S	C	.	.	H	α-helix	trans	-58.1	-34.9	175.3	-74.2	-22.8	0	0	0	112.2	T390 V391 N398	T390-N394 VanDerWaalsContact O-CB 3.26Å; T390-N394 WeakPolarHBondContact O-CB 3.42Å; T390-N394 PolarHBondContact O-N 3.23Å; T390-N394 PolarHBondContact O-ND2 3.21Å; V391-N394 PolarHBondContact O-N 3.31Å; N394-N398 VanDerWaalsContact O-CB 3.31Å; N394-N398 WeakPolarHBondContact O-CB 3.38Å; N394-N398 VanDerWaalsContact O-CG 3.32Å; N394-N398 PolarHBondContact O-N 3.38Å; N394-N398 VanDerWaalsContact O-N 3.08Å; N394-N398 PolarHBondContact O-ND2 3.47Å
395	Y	90.1	Very high	81.3	Confident	26 Å²	26	47 Å²	47	10%	0.102	26%	0.258	C	S	.	.	H	α-helix	trans	-65.4	-50	176.1	-172.1	-88.9	0	0	0	112	Q349 V391 L392 R393 N398 N399 T443 A447	Q349-Y395 VanDerWaalsContact OE1-CE2 3.3Å; V391-Y395 WeakPolarHBondContact O-CB 3.45Å; V391-Y395 PolarHBondContact O-N 3.42Å; L392-Y395 WeakPolarHBondContact O-CB 3.39Å; L392-Y395 PolarHBondContact O-N 3.33Å; R393-Y395 PolarHBondContact O-N 3.47Å; Y395-N398 PolarHBondContact O-N 3.4Å; Y395-N399 HydrophobicContact CE1-CB 4.2Å; Y395-N399 WeakPolarHBondContact CE2-ND2 3.46Å; Y395-N399 WeakPolarHBondContact O-CB 3.32Å; Y395-N399 PolarHBondContact O-N 3.37Å; Y395-N399 PolarHBondContact O-ND2 2.81Å; Y395-T443 HydrophobicContact CE1-CG2 3.85Å; Y395-T443 HydrophobicContact CE2-CG2 4.16Å; Y395-T443 VanDerWaalsContact CZ-CG2 3.47Å; Y395-T443 WeakPolarHBondContact OH-CB 3.29Å; Y395-T443 WeakPolarHBondContact OH-CG2 3.38Å; Y395-A447 HydrophobicContact CD1-CB 3.69Å; Y395-A447 HydrophobicContact CE1-CB 4.34Å; Y395-A447 HydrophobicContact CG-CB 4.43Å
396	L	89.6	Confident	78.3	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-65	-40.6	179.7	-60.8	172.9	0	0	0	111.9	L392 R393 N398 N399 Y444 A447 E448 L451 I576	L392-L396 WeakPolarHBondContact O-CG 3.37Å; L392-L396 PolarHBondContact O-N 3.48Å; L392-L396 VanDerWaalsContact O-N 3.07Å; R393-L396 PolarHBondContact O-N 2.97Å; L396-N398 VanDerWaalsContact C-N 3.34Å; L396-N398 PolarHBondContact O-N 2.92Å; L396-N399 PolarHBondContact O-N 3.11Å; L396-Y444 HydrophobicContact CB-CE2 3.9Å; L396-Y444 HydrophobicContact CD2-CD1 4.1Å; L396-Y444 HydrophobicContact CD2-CD2 3.57Å; L396-Y444 HydrophobicContact CD2-CE1 3.95Å; L396-Y444 HydrophobicContact CD2-CE2 3.45Å; L396-Y444 VanDerWaalsContact CD2-CE2 3.45Å; L396-Y444 HydrophobicContact CD2-CG 3.92Å; L396-Y444 WeakPolarHBondContact CD2-O 3.48Å; L396-Y444 HydrophobicContact CG-CE2 4.28Å; L396-A447 HydrophobicContact CD2-CB 3.93Å; L396-A447 HydrophobicContact CG-CB 4.44Å; L396-E448 HydrophobicContact CD1-CB 4.41Å; L396-E448 HydrophobicContact CD1-CG 4.41Å; L396-E448 HydrophobicContact CD2-CB 3.98Å; L396-L451 HydrophobicContact CD1-CD2 3.61Å; L396-I576 HydrophobicContact CB-CG2 4.04Å
397	V	87.3	Confident	75.5	Confident	24 Å²	24	56.9 Å²	56.9	15%	0.145	32%	0.316	C	S	.	.	H	α-helix	trans	-62.1	-38.5	177.2	168.8	0	0	0	0	112	R393 N573 D577	R393-V397 VanDerWaalsContact O-CB 3.32Å; R393-V397 WeakPolarHBondContact O-CB 3.43Å; R393-V397 WeakPolarHBondContact O-CG2 3.16Å; R393-V397 PolarHBondContact O-N 3.42Å; V397-N573 HydrophobicContact CG1-CB 3.94Å; V397-N573 PolarHBondContact O-ND2 3.14Å; V397-N573 PolarHBondContact O-OD1 3.35Å; V397-D577 HydrophobicContact CG2-CB 3.73Å
398	N	86.6	Confident	73	Confident	106 Å²	106	60.1 Å²	60.1	57%	0.567	34%	0.339	S	S	*	.	H	α-helix	trans	-87.3	-16.6	-178.1	-71.9	-48.4	0	0	0	114.2	N394 Y395 L396 P400	N394-N398 VanDerWaalsContact O-CB 3.31Å; N394-N398 WeakPolarHBondContact O-CB 3.38Å; N394-N398 VanDerWaalsContact O-CG 3.32Å; N394-N398 PolarHBondContact O-N 3.38Å; N394-N398 VanDerWaalsContact O-N 3.08Å; N394-N398 PolarHBondContact O-ND2 3.47Å; Y395-N398 PolarHBondContact O-N 3.4Å; L396-N398 VanDerWaalsContact C-N 3.34Å; L396-N398 PolarHBondContact O-N 2.92Å; N398-P400 WeakPolarHBondContact O-CD 3.47Å
399	N	85.8	Confident	70	Confident	70 Å²	70	63.5 Å²	63.5	37%	0.374	36%	0.357	S	S	.	.	S	Bend	trans	-123.7	52.4	-177.1	-58.5	-86.7	0	0	0	112.6	Y395 L396 Y444	Y395-N399 HydrophobicContact CE1-CB 4.2Å; Y395-N399 WeakPolarHBondContact CE2-ND2 3.46Å; Y395-N399 WeakPolarHBondContact O-CB 3.32Å; Y395-N399 PolarHBondContact O-N 3.37Å; Y395-N399 PolarHBondContact O-ND2 2.81Å; L396-N399 PolarHBondContact O-N 3.11Å; N399-Y444 WeakPolarHBondContact O-CD2 3.31Å; N399-Y444 WeakPolarHBondContact O-CE2 3.48Å
400	P	77.3	Confident	67.1	Low	49 Å²	49	69 Å²	69	32%	0.318	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-58.7	142.9	-177.2	26.8	-36.1	0	0	0	111.9	N398 N402 I576	N398-P400 WeakPolarHBondContact O-CD 3.47Å; P400-N402 PolarHBondContact O-N 3.06Å; P400-I576 HydrophobicContact CB-CD1 3.82Å
401	P	71.2	Confident	64.3	Low	55 Å²	55	72 Å²	72	36%	0.357	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-64.9	131.3	-176.3	25.9	-34.3	0	0	0	111.5	L403 Y444	P401-L403 PolarHBondContact O-N 3.39Å; P401-Y444 HydrophobicContact CG-CE1 4.5Å
402	N	55.4	Low	61.6	Low	131 Å²	131	74.4 Å²	74.4	70%	0.701	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-62.9	126.3	177.2	-78.2	-57.8	0	0	0	110.5	P400 D404	P400-N402 PolarHBondContact O-N 3.06Å; N402-D404 PolarHBondContact O-N 3.46Å; N402-D404 VanDerWaalsContact O-N 3.15Å
403	L	46	Very low	58.6	Low	73 Å²	73	80.5 Å²	80.5	38%	0.382	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-75	-7.1	-167.2	-139.7	71.5	0	0	0	114.7	P401 T405 L528	P401-L403 PolarHBondContact O-N 3.39Å; L403-T405 VanDerWaalsContact C-N 3.33Å; L403-T405 PolarHBondContact O-N 2.79Å; L403-L528 HydrophobicContact CD1-CB 3.71Å; L403-L528 HydrophobicContact CD1-CD1 3.85Å; L403-L528 HydrophobicContact CD1-CG 4.3Å; L403-L528 HydrophobicContact CD2-CB 4.01Å
404	D	39.4	Very low	55.7	Low	163 Å²	163	84.4 Å²	84.4	87%	0.872	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-78	-8.8	-173.3	-66	-31.9	0	0	0	114.4	N402	N402-D404 PolarHBondContact O-N 3.46Å; N402-D404 VanDerWaalsContact O-N 3.15Å
405	T	39.2	Very low	52.8	Low	67 Å²	67	86.3 Å²	86.3	41%	0.411	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-101.2	19.9	178.3	50	0	0	0	0	114.2	L403 D407 T408	L403-T405 VanDerWaalsContact C-N 3.33Å; L403-T405 PolarHBondContact O-N 2.79Å; T405-D407 PolarHBondContact O-N 3.28Å; T405-T408 PolarHBondContact O-N 2.67Å; T405-T408 VanDerWaalsContact O-N 3.1Å
406	S	33.4	Very low	49.8	Very low	70 Å²	70	91 Å²	91	49%	0.49	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-15.9	-172.7	-174.7	0	0	0	0	116.5
407	D	36.7	Very low	46.9	Very low	143 Å²	143	97 Å²	97	77%	0.765	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-24.5	178.1	-72.7	-24.9	0	0	0	113.3	T405 M410	T405-D407 PolarHBondContact O-N 3.28Å; D407-M410 WeakPolarHBondContact O-CB 3.22Å
408	T	42.9	Very low	44.1	Very low	107 Å²	107	101.8 Å²	101.8	66%	0.656	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-41.3	-176.3	-51.8	0	0	0	0	112.2	T405 M410 N411	T405-T408 PolarHBondContact O-N 2.67Å; T405-T408 VanDerWaalsContact O-N 3.1Å; T408-M410 PolarHBondContact O-N 3.33Å; T408-M410 VanDerWaalsContact O-N 3.08Å; T408-N411 PolarHBondContact O-N 3.38Å
409	L	32.2	Very low	41.3	Very low	74 Å²	74	103.1 Å²	103.1	39%	0.387	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.2	-0.9	174.4	-83.7	167.1	0	0	0	113.8	N411	L409-N411 VanDerWaalsContact C-N 3.32Å
410	M	33.6	Very low	38.5	Very low	118 Å²	118	103.8 Å²	103.8	58%	0.581	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-23.7	173.2	-159.2	64.2	169.8	0	0	112.8	D407 T408 T414	D407-M410 WeakPolarHBondContact O-CB 3.22Å; T408-M410 PolarHBondContact O-N 3.33Å; T408-M410 VanDerWaalsContact O-N 3.08Å; M410-T414 PolarHBondContact O-OG1 3.48Å
411	N	36.4	Very low	36.3	Very low	116 Å²	116	108.5 Å²	108.5	62%	0.62	63%	0.634	S	S	*	*	S	Bend	trans	-97.7	-16.8	-173.6	-68	-38.9	0	0	0	114.6	T408 L409 M413	T408-N411 PolarHBondContact O-N 3.38Å; L409-N411 VanDerWaalsContact C-N 3.32Å; N411-M413 VanDerWaalsContact C-N 3.35Å; N411-M413 PolarHBondContact O-N 3.13Å
412	S	34.8	Very low	34.5	Very low	67 Å²	67	114 Å²	114	47%	0.469	66%	0.66	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86	-1	-173.7	52.3	0	0	0	0	114.9
413	M	30.2	Very low	33.3	Very low	129 Å²	129	115.8 Å²	115.8	64%	0.635	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	12.4	-175	-151.6	171.5	-77.4	0	0	113.2	N411 S521	N411-M413 VanDerWaalsContact C-N 3.35Å; N411-M413 PolarHBondContact O-N 3.13Å; M413-S521 PolarHBondContact SD-OG 3.05Å
414	T	31.9	Very low	32.5	Very low	98 Å²	98	115.7 Å²	115.7	60%	0.601	69%	0.685	S	S	*	*			trans	-134.2	35.5	-172.4	40.7	0	0	0	0	112	M410 V416	M410-T414 PolarHBondContact O-OG1 3.48Å; T414-V416 VanDerWaalsContact C-N 3.33Å; T414-V416 PolarHBondContact O-N 3.47Å
415	T	29	Very low	31.9	Very low	125 Å²	125	113.1 Å²	113.1	77%	0.767	68%	0.679	S	S	*	*			trans	-93.4	44.3	180	43.7	0	0	0	0	113.7
416	V	27.9	Very low	31.3	Very low	124 Å²	124	115.9 Å²	115.9	75%	0.752	70%	0.702	S	S	*	*	S	Bend	trans	-128.6	100.8	170.7	-178.6	0	0	0	0	109.2	T414	T414-V416 VanDerWaalsContact C-N 3.33Å; T414-V416 PolarHBondContact O-N 3.47Å
417	T	27.6	Very low	31.1	Very low	127 Å²	127	117.8 Å²	117.8	78%	0.779	72%	0.715	S	S	*	*	S	Bend	trans	65.3	145.7	-173.8	79.3	0	0	0	0	113.7
418	T	29.2	Very low	30.6	Very low	126 Å²	126	119.6 Å²	119.6	77%	0.773	72%	0.721	S	S	*	*			cis	-141.7	153.1	10.5	-57.8	0	0	0	0	110.7
419	T	27.5	Very low	30	Very low	133 Å²	133	120.3 Å²	120.3	82%	0.816	73%	0.73	S	S	*	*			trans	-82.1	127.6	173.3	49.6	0	0	0	0	113.5
420	A	27.9	Very low	29.8	Very low	85 Å²	85	120.4 Å²	120.4	70%	0.702	75%	0.749	S	S	*	*				169.4	140.3	128.4	0	0	0	0	0	114.7
421	N	30	Very low	29.7	Very low	148 Å²	148	119.1 Å²	119.1	79%	0.791	75%	0.752	S	S	*	*			trans	47.8	109.7	147.8	-57.8	-17.1	0	0	0	121.1
422	N	34.3	Very low	29.4	Very low	169 Å²	169	119.7 Å²	119.7	90%	0.904	76%	0.762	S	S	*	*				-162.4	163.5	106.9	-103.8	-39.2	0	0	0	113.3
423	I	28.9	Very low	29.3	Very low	169 Å²	169	122.1 Å²	122.1	87%	0.867	77%	0.769	S	S	*	*			trans	-125.3	131.1	-175.1	-63.1	170.3	0	0	0	108.6
424	G	29.6	Very low	29.4	Very low	72 Å²	72	121.4 Å²	121.4	74%	0.742	77%	0.767	S	S	*	*			trans	-168.8	49.2	-169.1	0	0	0	0	0	119.9
425	S	27.8	Very low	29.6	Very low	108 Å²	108	120.4 Å²	120.4	76%	0.755	76%	0.764	S	S	*	*			trans	45.2	116.7	146.5	-55	0	0	0	0	123.1
426	S	26.6	Very low	29.8	Very low	126 Å²	126	120.1 Å²	120.1	88%	0.881	76%	0.758	S	S	*	*			trans	70.2	156.9	144.9	75.4	0	0	0	0	118.8
427	S	27.6	Very low	30.5	Very low	110 Å²	110	120.7 Å²	120.7	77%	0.769	75%	0.75	S	S	*	*			cis	-143	174.2	8.9	64.3	0	0	0	0	112.8
428	M	26.7	Very low	31.9	Very low	181 Å²	181	118.7 Å²	118.7	89%	0.892	74%	0.735	S	S	*	*			trans	-85.1	139.6	-179.7	-40.2	88.5	70.1	0	0	113.8
429	S	31.3	Very low	33.2	Very low	122 Å²	122	117.4 Å²	117.4	85%	0.853	72%	0.718	S	S	*	*			trans	-151.4	132.3	134.9	57.5	0	0	0	0	109.6
430	G	26.6	Very low	35.3	Very low	76 Å²	76	114.4 Å²	114.4	78%	0.784	70%	0.697	S	S	*	*			trans	-112.9	139.4	178.9	0	0	0	0	0	111.1
431	S	31.6	Very low	37.8	Very low	91 Å²	91	114.5 Å²	114.5	64%	0.636	68%	0.683	S	S	*	*			trans	-134.5	131.9	172.6	-70.9	0	0	0	0	109.1	L433	S431-L433 PolarHBondContact O-N 3.45Å
432	P	31.5	Very low	40.5	Very low	127 Å²	127	112.4 Å²	112.4	83%	0.825	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	44.9	-170.3	35.6	-38.4	0	0	0	113.3
433	L	31.5	Very low	43	Very low	119 Å²	119	104.5 Å²	104.5	62%	0.623	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	-23.7	-179.9	-94.5	166.3	0	0	0	114.2	S431 S435 F437	S431-L433 PolarHBondContact O-N 3.45Å; L433-S435 PolarHBondContact O-N 2.82Å; L433-F437 WeakPolarHBondContact O-CD2 3.39Å
434	N	33	Very low	46	Very low	113 Å²	113	97.9 Å²	97.9	60%	0.604	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-65.1	-36	179.8	-72.6	44.3	0	0	0	113.2	L436 F437 D438	N434-L436 PolarHBondContact O-N 3.3Å; N434-F437 PolarHBondContact O-N 3.34Å; N434-D438 PolarHBondContact O-N 2.87Å; N434-D438 VanDerWaalsContact O-N 3.12Å
435	S	35.3	Very low	48.9	Very low	77 Å²	77	99.5 Å²	99.5	54%	0.538	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-66.2	-3.2	-173.7	58.9	0	0	0	0	115.7	L433 D438	L433-S435 PolarHBondContact O-N 2.82Å; S435-D438 WeakPolarHBondContact CA-OD2 3.11Å
436	L	33.3	Very low	52	Low	119 Å²	119	94.4 Å²	94.4	62%	0.623	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-95.6	-20.9	170.5	-153.9	74.8	0	0	0	113	N434	N434-L436 PolarHBondContact O-N 3.3Å
437	F	42.9	Very low	55.2	Low	137 Å²	137	88.4 Å²	88.4	60%	0.601	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-33.2	-179.5	-66.1	-75.4	0	0	0	112.8	L433 N434 K439 D440	L433-F437 WeakPolarHBondContact O-CD2 3.39Å; N434-F437 PolarHBondContact O-N 3.34Å; F437-K439 PolarHBondContact O-N 3.38Å; F437-K439 VanDerWaalsContact O-N 3.08Å; F437-D440 PolarHBondContact O-N 3.02Å
438	D	55.9	Low	58.4	Low	84 Å²	84	86.4 Å²	86.4	45%	0.449	48%	0.479	S	S	.	.	H	α-helix	trans	-51.6	-36.9	-179.9	-60.8	-43.4	0	0	0	112.5	N434 S435 D440 E441 E442	N434-D438 PolarHBondContact O-N 2.87Å; N434-D438 VanDerWaalsContact O-N 3.12Å; S435-D438 WeakPolarHBondContact CA-OD2 3.11Å; D438-D440 PolarHBondContact O-N 2.88Å; D438-E441 PolarHBondContact O-N 3.12Å; D438-E442 WeakPolarHBondContact O-CG 3.46Å; D438-E442 PolarHBondContact O-N 3.31Å
439	K	58.3	Low	61.6	Low	99 Å²	99	80.3 Å²	80.3	43%	0.43	45%	0.45	S	S	.	.	H	α-helix	trans	-71.5	-30	-173.2	-65.8	-170.5	176.1	-170.2	0	115.2	F437 T443	F437-K439 PolarHBondContact O-N 3.38Å; F437-K439 VanDerWaalsContact O-N 3.08Å; K439-T443 WeakPolarHBondContact O-CB 3.43Å; K439-T443 PolarHBondContact O-N 3.39Å; K439-T443 PolarHBondContact O-OG1 3.19Å
440	D	69.8	Low	64.7	Low	70 Å²	70	74.5 Å²	74.5	37%	0.374	41%	0.409	S	S	.	.	H	α-helix	trans	-78	-34.8	-178.9	-61.1	-18.8	0	0	0	108.5	K347 F437 D438 T443 Y444	K347-D440 IonicContact NZ-OD1 2.74Å; K347-D440 IonicContact NZ-OD2 2.74Å; F437-D440 PolarHBondContact O-N 3.02Å; D438-D440 PolarHBondContact O-N 2.88Å; D440-T443 PolarHBondContact O-N 3.1Å; D440-Y444 PolarHBondContact O-N 2.98Å
441	E	81.7	Confident	68	Low	87 Å²	87	70.9 Å²	70.9	41%	0.407	37%	0.372	S	S	.	.	H	α-helix	trans	-69.4	-40.9	169.7	-167.4	177.2	150.6	0	0	112.5	D438 T443 Y444 K445	D438-E441 PolarHBondContact O-N 3.12Å; E441-T443 PolarHBondContact O-N 3.25Å; E441-Y444 PolarHBondContact O-N 2.9Å; E441-K445 VanDerWaalsContact O-CB 3.31Å; E441-K445 WeakPolarHBondContact O-CB 3.08Å; E441-K445 PolarHBondContact O-N 3.4Å
442	E	85.3	Confident	71	Confident	104 Å²	104	68.4 Å²	68.4	49%	0.486	35%	0.352	S	S	.	.	H	α-helix	trans	-56.6	-38.7	170	-77.6	-179.1	154.1	0	0	111.9	D438 A446	D438-E442 WeakPolarHBondContact O-CG 3.46Å; D438-E442 PolarHBondContact O-N 3.31Å; E442-A446 VanDerWaalsContact O-CB 3.27Å; E442-A446 WeakPolarHBondContact O-CB 3.4Å; E442-A446 PolarHBondContact O-N 3.46Å
443	T	88.5	Confident	74.1	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.018	32%	0.324	C	S	.	.	H	α-helix	trans	-75.5	-42.1	-178.9	-53.4	0	0	0	0	112.5	Q349 H350 F353 Y395 K439 D440 E441 K445 A446 A447	Q349-T443 HydrophobicContact CB-CG2 3.5Å; Q349-T443 VanDerWaalsContact CB-CG2 3.5Å; H350-T443 HydrophobicContact CB-CG2 4.5Å; H350-T443 PolarHBondContact ND1-OG1 3.02Å; F353-T443 HydrophobicContact CE2-CG2 4.27Å; Y395-T443 HydrophobicContact CE1-CG2 3.85Å; Y395-T443 HydrophobicContact CE2-CG2 4.16Å; Y395-T443 VanDerWaalsContact CZ-CG2 3.47Å; Y395-T443 WeakPolarHBondContact OH-CB 3.29Å; Y395-T443 WeakPolarHBondContact OH-CG2 3.38Å; K439-T443 WeakPolarHBondContact O-CB 3.43Å; K439-T443 PolarHBondContact O-N 3.39Å; K439-T443 PolarHBondContact O-OG1 3.19Å; D440-T443 PolarHBondContact O-N 3.1Å; E441-T443 PolarHBondContact O-N 3.25Å; T443-K445 VanDerWaalsContact C-N 3.32Å; T443-K445 PolarHBondContact O-N 2.93Å; T443-A446 PolarHBondContact O-N 2.7Å; T443-A447 WeakPolarHBondContact O-CB 3.19Å; T443-A447 PolarHBondContact O-N 2.84Å
444	Y	91	Very high	77.2	Confident	30 Å²	30	58.7 Å²	58.7	12%	0.118	29%	0.294	C	S	.	.	H	α-helix	trans	-55	-50.1	169.9	-175.8	-85	0	0	0	110.9	L396 N399 P401 D440 E441 A446 A447 E448	L396-Y444 HydrophobicContact CB-CE2 3.9Å; L396-Y444 HydrophobicContact CD2-CD1 4.1Å; L396-Y444 HydrophobicContact CD2-CD2 3.57Å; L396-Y444 HydrophobicContact CD2-CE1 3.95Å; L396-Y444 HydrophobicContact CD2-CE2 3.45Å; L396-Y444 VanDerWaalsContact CD2-CE2 3.45Å; L396-Y444 HydrophobicContact CD2-CG 3.92Å; L396-Y444 WeakPolarHBondContact CD2-O 3.48Å; L396-Y444 HydrophobicContact CG-CE2 4.28Å; N399-Y444 WeakPolarHBondContact O-CD2 3.31Å; N399-Y444 WeakPolarHBondContact O-CE2 3.48Å; P401-Y444 HydrophobicContact CG-CE1 4.5Å; D440-Y444 PolarHBondContact O-N 2.98Å; E441-Y444 PolarHBondContact O-N 2.9Å; Y444-A446 PolarHBondContact O-N 3.35Å; Y444-A447 PolarHBondContact O-N 3.22Å; Y444-E448 HydrophobicContact CE1-CB 4.43Å; Y444-E448 WeakPolarHBondContact O-CB 3.46Å; Y444-E448 PolarHBondContact O-N 2.61Å
445	K	91.3	Very high	80.2	Confident	106 Å²	106	53.3 Å²	53.3	46%	0.461	27%	0.266	S	S	.	.	H	α-helix	trans	-65.1	-36	-178.7	-169.1	173.6	-173.3	171.9	0	113.2	E441 T443 N449	E441-K445 VanDerWaalsContact O-CB 3.31Å; E441-K445 WeakPolarHBondContact O-CB 3.08Å; E441-K445 PolarHBondContact O-N 3.4Å; T443-K445 VanDerWaalsContact C-N 3.32Å; T443-K445 PolarHBondContact O-N 2.93Å; K445-N449 VanDerWaalsContact O-CB 3.27Å; K445-N449 WeakPolarHBondContact O-CB 3.19Å; K445-N449 PolarHBondContact O-N 3.46Å; K445-N449 PolarHBondContact O-ND2 3.18Å
446	A	93	Very high	83.1	Confident	2 Å²	2	50.9 Å²	50.9	2%	0.017	25%	0.249	C	C	.	.	H	α-helix	trans	-67.6	-40.9	174.4	0	0	0	0	0	112.3	H350 F353 E354 E442 T443 Y444 L450	H350-A446 HydrophobicContact CB-CB 3.98Å; F353-A446 HydrophobicContact CB-CB 4.01Å; F353-A446 HydrophobicContact CD2-CB 4.38Å; E354-A446 HydrophobicContact CG-CB 3.89Å; E442-A446 VanDerWaalsContact O-CB 3.27Å; E442-A446 WeakPolarHBondContact O-CB 3.4Å; E442-A446 PolarHBondContact O-N 3.46Å; T443-A446 PolarHBondContact O-N 2.7Å; Y444-A446 PolarHBondContact O-N 3.35Å; A446-L450 PolarHBondContact O-N 3.24Å; A446-L450 VanDerWaalsContact O-N 3.13Å
447	A	93.8	Very high	86	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-45.9	174.1	0	0	0	0	0	111.4	F353 L392 Y395 L396 T443 Y444 N449 L450 L451	F353-A447 HydrophobicContact CD2-CB 3.72Å; F353-A447 HydrophobicContact CE2-CB 3.68Å; L392-A447 HydrophobicContact CD2-CB 3.87Å; Y395-A447 HydrophobicContact CD1-CB 3.69Å; Y395-A447 HydrophobicContact CE1-CB 4.34Å; Y395-A447 HydrophobicContact CG-CB 4.43Å; L396-A447 HydrophobicContact CD2-CB 3.93Å; L396-A447 HydrophobicContact CG-CB 4.44Å; T443-A447 WeakPolarHBondContact O-CB 3.19Å; T443-A447 PolarHBondContact O-N 2.84Å; Y444-A447 PolarHBondContact O-N 3.22Å; A447-N449 VanDerWaalsContact C-N 3.34Å; A447-N449 PolarHBondContact O-N 2.92Å; A447-L450 PolarHBondContact O-N 3.33Å; A447-L451 WeakPolarHBondContact O-CB 3.37Å; A447-L451 PolarHBondContact O-N 3.25Å
448	E	93.4	Very high	88.5	Confident	68 Å²	68	49 Å²	49	32%	0.318	24%	0.239	S	C	.	.	H	α-helix	trans	-61.6	-42.7	177.4	-158.7	-157.7	148.7	0	0	110.8	L396 Y444 L450 L451 N452	L396-E448 HydrophobicContact CD1-CB 4.41Å; L396-E448 HydrophobicContact CD1-CG 4.41Å; L396-E448 HydrophobicContact CD2-CB 3.98Å; Y444-E448 HydrophobicContact CE1-CB 4.43Å; Y444-E448 WeakPolarHBondContact O-CB 3.46Å; Y444-E448 PolarHBondContact O-N 2.61Å; E448-L450 PolarHBondContact O-N 3.47Å; E448-L451 PolarHBondContact O-N 3.38Å; E448-N452 WeakPolarHBondContact O-CB 3.09Å; E448-N452 PolarHBondContact O-N 3.37Å; E448-N452 PolarHBondContact O-ND2 2.98Å; E448-N452 PolarHBondContact OE1-ND2 2.79Å
449	N	95.2	Very high	90.5	Very high	52 Å²	52	45.3 Å²	45.3	28%	0.278	22%	0.219	S	C	.	.	H	α-helix	trans	-57.4	-45.8	174.2	-78.8	-23.3	0	0	0	112.5	E354 K357 K445 A447 V453	E354-N449 PolarHBondContact OE1-ND2 3.37Å; K357-N449 HydrophobicContact CD-CB 3.9Å; K357-N449 PolarHBondContact NZ-ND2 3.5Å; K445-N449 VanDerWaalsContact O-CB 3.27Å; K445-N449 WeakPolarHBondContact O-CB 3.19Å; K445-N449 PolarHBondContact O-N 3.46Å; K445-N449 PolarHBondContact O-ND2 3.18Å; A447-N449 VanDerWaalsContact C-N 3.34Å; A447-N449 PolarHBondContact O-N 2.92Å; N449-V453 PolarHBondContact O-N 3.32Å
450	L	96.2	Very high	92.3	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-73.3	-38.6	-178.2	-177.5	58.4	0	0	0	111.8	F353 F356 K357 V362 L388 L392 A446 A447 E448 N452 V453 L454	F353-L450 HydrophobicContact CB-CD2 4.2Å; F353-L450 HydrophobicContact CD1-CD2 4.19Å; F356-L450 HydrophobicContact CB-CD2 3.98Å; F356-L450 HydrophobicContact CD2-CD2 4.31Å; K357-L450 HydrophobicContact CB-CD1 4.17Å; V362-L450 HydrophobicContact CG2-CD1 3.92Å; L388-L450 HydrophobicContact CD1-CD2 4.37Å; L388-L450 HydrophobicContact CD2-CD2 4.48Å; L392-L450 HydrophobicContact CD1-CB 4.16Å; L392-L450 HydrophobicContact CD1-CD2 3.98Å; L392-L450 HydrophobicContact CD1-CG 3.8Å; L392-L450 HydrophobicContact CD2-CB 4.48Å; L392-L450 HydrophobicContact CD2-CD2 4.31Å; A446-L450 PolarHBondContact O-N 3.24Å; A446-L450 VanDerWaalsContact O-N 3.13Å; A447-L450 PolarHBondContact O-N 3.33Å; E448-L450 PolarHBondContact O-N 3.47Å; L450-N452 VanDerWaalsContact C-N 3.33Å; L450-V453 WeakPolarHBondContact O-CB 3.28Å; L450-V453 PolarHBondContact O-N 2.98Å; L450-L454 PolarHBondContact O-N 2.83Å
451	L	95.7	Very high	93.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.2	-38.1	173.1	-173.9	61.5	0	0	0	111.3	I389 L392 R393 L396 A447 E448 V453 L454 E455 H580	I389-L451 HydrophobicContact CG2-CD1 4.44Å; L392-L451 HydrophobicContact CB-CB 4.17Å; L392-L451 HydrophobicContact CB-CD1 4.26Å; L392-L451 HydrophobicContact CD1-CB 4.27Å; R393-L451 HydrophobicContact CG-CD1 4.23Å; R393-L451 HydrophobicContact CG-CD2 3.68Å; L396-L451 HydrophobicContact CD1-CD2 3.61Å; A447-L451 WeakPolarHBondContact O-CB 3.37Å; A447-L451 PolarHBondContact O-N 3.25Å; E448-L451 PolarHBondContact O-N 3.38Å; L451-V453 PolarHBondContact O-N 3.17Å; L451-L454 HydrophobicContact CD1-CB 4.5Å; L451-L454 WeakPolarHBondContact O-CB 3.25Å; L451-L454 PolarHBondContact O-N 3.18Å; L451-L454 VanDerWaalsContact O-N 3.15Å; L451-E455 HydrophobicContact CD1-CG 4.01Å; L451-E455 HydrophobicContact CG-CG 4.15Å; L451-E455 WeakPolarHBondContact O-CB 3.34Å; L451-E455 WeakPolarHBondContact O-CG 3.46Å; L451-E455 PolarHBondContact O-N 3.46Å; L451-H580 HydrophobicContact CD2-CB 4.42Å; L451-H580 WeakPolarHBondContact CD2-ND1 3.45Å
452	N	95.1	Very high	94.3	Very high	39 Å²	39	36.5 Å²	36.5	21%	0.209	18%	0.182	C	C	.	.	H	α-helix	trans	-63.3	-23.9	174.1	-78.5	-38	0	0	0	113.5	E448 L450 S456 K583	E448-N452 WeakPolarHBondContact O-CB 3.09Å; E448-N452 PolarHBondContact O-N 3.37Å; E448-N452 PolarHBondContact O-ND2 2.98Å; E448-N452 PolarHBondContact OE1-ND2 2.79Å; L450-N452 VanDerWaalsContact C-N 3.33Å; N452-S456 PolarHBondContact O-N 3.43Å; N452-K583 PolarHBondContact OD1-NZ 3.19Å
453	V	96.6	Very high	94.8	Very high	39 Å²	39	31.6 Å²	31.6	24%	0.236	16%	0.158	C	C	.	.	H	α-helix	trans	-73.9	-52.5	168.5	174.6	0	0	0	0	109.8	V362 N449 L450 L451 E455 S456 T459	V362-V453 HydrophobicContact CB-CG1 4.26Å; V362-V453 HydrophobicContact CG1-CG1 4.37Å; V362-V453 HydrophobicContact CG2-CG1 4.32Å; N449-V453 PolarHBondContact O-N 3.32Å; L450-V453 WeakPolarHBondContact O-CB 3.28Å; L450-V453 PolarHBondContact O-N 2.98Å; L451-V453 PolarHBondContact O-N 3.17Å; V453-E455 PolarHBondContact O-N 2.95Å; V453-S456 WeakPolarHBondContact O-CB 3.14Å; V453-S456 PolarHBondContact O-N 3.36Å; V453-S456 PolarHBondContact O-OG 3.39Å; V453-T459 WeakPolarHBondContact O-CB 3.44Å; V453-T459 PolarHBondContact O-OG1 3.31Å
454	L	96.6	Very high	95.2	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-54.1	-38.9	177.4	-77.6	157.1	0	0	0	113.2	V362 L385 L388 I389 L392 L450 L451 S456 L488	V362-L454 HydrophobicContact CB-CD2 4.41Å; V362-L454 HydrophobicContact CG1-CD2 3.63Å; V362-L454 HydrophobicContact CG1-CG 4.14Å; V362-L454 HydrophobicContact CG2-CD1 4.49Å; V362-L454 HydrophobicContact CG2-CD2 3.91Å; V362-L454 HydrophobicContact CG2-CG 3.85Å; L385-L454 HydrophobicContact CD2-CD2 3.84Å; L388-L454 HydrophobicContact CD2-CD1 4.13Å; L388-L454 HydrophobicContact CG-CD1 4.08Å; I389-L454 HydrophobicContact CD1-CD2 4.45Å; I389-L454 HydrophobicContact CG1-CB 4.37Å; I389-L454 HydrophobicContact CG1-CD1 4.01Å; I389-L454 HydrophobicContact CG1-CD2 4.14Å; I389-L454 HydrophobicContact CG1-CG 4.41Å; L392-L454 HydrophobicContact CD1-CD1 3.63Å; L450-L454 PolarHBondContact O-N 2.83Å; L451-L454 HydrophobicContact CD1-CB 4.5Å; L451-L454 WeakPolarHBondContact O-CB 3.25Å; L451-L454 PolarHBondContact O-N 3.18Å; L451-L454 VanDerWaalsContact O-N 3.15Å; L454-S456 VanDerWaalsContact C-N 3.32Å; L454-L488 HydrophobicContact CB-CD2 4.43Å; L454-L488 WeakPolarHBondContact O-CD2 3.23Å
455	E	95.2	Very high	95.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	8.9	-179.6	-62.7	-179.4	161.6	0	0	113.6	R393 L451 V453 L488 H580 A584 N587	R393-E455 IonicContact CZ-OE1 3.37Å; R393-E455 IonicContact NE-OE1 2.61Å; R393-E455 PolarHBondContact NE-OE1 2.72Å; R393-E455 IonicContact NH2-OE1 2.73Å; R393-E455 PolarHBondContact NH2-OE1 3.11Å; L451-E455 HydrophobicContact CD1-CG 4.01Å; L451-E455 HydrophobicContact CG-CG 4.15Å; L451-E455 WeakPolarHBondContact O-CB 3.34Å; L451-E455 WeakPolarHBondContact O-CG 3.46Å; L451-E455 PolarHBondContact O-N 3.46Å; V453-E455 PolarHBondContact O-N 2.95Å; E455-L488 HydrophobicContact CG-CD2 4.06Å; E455-H580 IonicContact OE1-ND1 3.37Å; E455-H580 IonicContact OE2-CE1 3.3Å; E455-H580 IonicContact OE2-CG 2.87Å; E455-H580 IonicContact OE2-ND1 3.02Å; E455-H580 PolarHBondContact OE2-ND1 3.41Å; E455-A584 HydrophobicContact CB-CB 4.11Å; E455-A584 HydrophobicContact CG-CB 3.88Å; E455-N587 PolarHBondContact O-ND2 2.75Å
456	S	95.7	Very high	95.5	Very high	26 Å²	26	31.2 Å²	31.2	18%	0.182	16%	0.158	C	C	.	.	S	Bend	trans	-78.2	152.2	-176.7	75.8	0	0	0	0	113.7	N452 V453 L454 E458 T459 M460	N452-S456 PolarHBondContact O-N 3.43Å; V453-S456 WeakPolarHBondContact O-CB 3.14Å; V453-S456 PolarHBondContact O-N 3.36Å; V453-S456 PolarHBondContact O-OG 3.39Å; L454-S456 VanDerWaalsContact C-N 3.32Å; S456-E458 PolarHBondContact O-N 2.93Å; S456-T459 PolarHBondContact O-N 3.32Å; S456-T459 WeakPolarHBondContact OG-CB 3.27Å; S456-T459 PolarHBondContact OG-N 3.06Å; S456-T459 PolarHBondContact OG-OG1 3.2Å; S456-M460 WeakPolarHBondContact O-CG 3.23Å; S456-M460 PolarHBondContact O-N 2.88Å
457	E	95.4	Very high	95.5	Very high	85 Å²	85	31.1 Å²	31.1	40%	0.397	16%	0.157	S	C	.	.	H	α-helix	trans	-61.6	-28.7	172	-65.2	-176.3	-164.4	0	0	112	S461 N587 K590 T591	E457-S461 WeakPolarHBondContact O-CB 3.45Å; E457-S461 PolarHBondContact O-N 3.31Å; E457-N587 HydrophobicContact CG-CB 3.76Å; E457-N587 PolarHBondContact OE1-OD1 3.09Å; E457-K590 WeakPolarHBondContact OE1-CD 3.43Å; E457-K590 IonicContact OE1-NZ 2.91Å; E457-K590 PolarHBondContact OE1-NZ 2.82Å; E457-T591 HydrophobicContact CB-CG2 3.68Å; E457-T591 HydrophobicContact CG-CG2 4.07Å; E457-T591 VanDerWaalsContact O-CG2 3.26Å; E457-T591 WeakPolarHBondContact O-CG2 3.27Å
458	E	95.9	Very high	95.4	Very high	133 Å²	133	31.8 Å²	31.8	62%	0.621	16%	0.162	S	C	*	.	H	α-helix	trans	-67.8	-52.5	175.5	-175.3	171.9	179	0	0	111.3	S456 M460 S461 M462	S456-E458 PolarHBondContact O-N 2.93Å; E458-M460 VanDerWaalsContact C-N 3.35Å; E458-M460 PolarHBondContact O-N 2.94Å; E458-S461 CarbonylContact O-C 3.36Å; E458-S461 WeakPolarHBondContact O-CB 3.46Å; E458-S461 PolarHBondContact O-N 2.77Å; E458-M462 WeakPolarHBondContact O-CG 3.3Å; E458-M462 PolarHBondContact O-N 3Å
459	T	97	Very high	95	Very high	5 Å²	5	32 Å²	32	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-40.5	179.2	-60.4	0	0	0	0	112.2	V362 I366 V453 S456 M462 L463	V362-T459 HydrophobicContact CG1-CG2 3.76Å; I366-T459 HydrophobicContact CD1-CG2 3.48Å; I366-T459 VanDerWaalsContact CD1-CG2 3.48Å; V453-T459 WeakPolarHBondContact O-CB 3.44Å; V453-T459 PolarHBondContact O-OG1 3.31Å; S456-T459 PolarHBondContact O-N 3.32Å; S456-T459 WeakPolarHBondContact OG-CB 3.27Å; S456-T459 PolarHBondContact OG-N 3.06Å; S456-T459 PolarHBondContact OG-OG1 3.2Å; T459-M462 WeakPolarHBondContact O-CB 3.37Å; T459-M462 PolarHBondContact O-N 3.24Å; T459-L463 PolarHBondContact O-N 3.16Å
460	M	96.3	Very high	94	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.1	-39.7	175.2	-67.9	168.8	179.2	0	0	112.1	S456 E458 M462 L463 L464 L488 A584 N587 L588 T591	S456-M460 WeakPolarHBondContact O-CG 3.23Å; S456-M460 PolarHBondContact O-N 2.88Å; E458-M460 VanDerWaalsContact C-N 3.35Å; E458-M460 PolarHBondContact O-N 2.94Å; M460-M462 VanDerWaalsContact C-N 3.33Å; M460-M462 PolarHBondContact O-N 2.64Å; M460-L463 PolarHBondContact O-N 2.98Å; M460-L464 WeakPolarHBondContact O-CB 3.25Å; M460-L464 WeakPolarHBondContact O-CG 3.47Å; M460-L464 PolarHBondContact O-N 3.29Å; M460-L488 HydrophobicContact CE-CB 4.29Å; M460-L488 HydrophobicContact CE-CD1 3.96Å; M460-L488 HydrophobicContact CE-CD2 4.41Å; M460-L488 HydrophobicContact CE-CG 4.46Å; M460-L488 HydrophobicContact CG-CD1 4.25Å; M460-A584 HydrophobicContact CE-CB 3.94Å; M460-A584 WeakPolarHBondContact CE-O 3.16Å; M460-N587 HydrophobicContact CE-CB 4.27Å; M460-N587 VanDerWaalsContact SD-C 3.57Å; M460-N587 HydrophobicContact SD-CB 3.59Å; M460-N587 VanDerWaalsContact SD-CB 3.59Å; M460-L588 HydrophobicContact CB-CD1 3.96Å; M460-L588 HydrophobicContact CE-CB 4.26Å; M460-L588 HydrophobicContact CG-CD1 3.95Å; M460-L588 VanDerWaalsContact SD-CA 3.56Å; M460-L588 HydrophobicContact SD-CB 3.73Å; M460-L588 HydrophobicContact SD-CD1 4.14Å; M460-L588 PolarHBondContact SD-N 3.43Å; M460-T591 HydrophobicContact CB-CG2 4.2Å
461	S	96.5	Very high	92.9	Very high	35 Å²	35	39.7 Å²	39.7	25%	0.245	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-37	171.9	-171.9	0	0	0	0	111.7	E457 E458 L464 N465 Y595	E457-S461 WeakPolarHBondContact O-CB 3.45Å; E457-S461 PolarHBondContact O-N 3.31Å; E458-S461 CarbonylContact O-C 3.36Å; E458-S461 WeakPolarHBondContact O-CB 3.46Å; E458-S461 PolarHBondContact O-N 2.77Å; S461-L464 PolarHBondContact O-N 2.86Å; S461-N465 WeakPolarHBondContact O-CB 3.38Å; S461-N465 PolarHBondContact O-N 3.39Å; S461-N465 PolarHBondContact O-ND2 3.02Å; S461-N465 PolarHBondContact OG-ND2 3.38Å; S461-Y595 PolarHBondContact OG-OH 2.95Å; S461-Y595 VanDerWaalsContact OG-OH 3.05Å
462	M	96	Very high	92	Very high	37 Å²	37	47.1 Å²	47.1	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-48.8	173.2	-69.2	179.4	66	0	0	111.4	E363 I366 E458 T459 M460 L464 N465 R466	E363-M462 HydrophobicContact CB-CE 3.99Å; E363-M462 HydrophobicContact CB-SD 4.34Å; E363-M462 HydrophobicContact CG-CE 4.38Å; E363-M462 HydrophobicContact CG-SD 4.06Å; I366-M462 HydrophobicContact CB-CE 4.21Å; I366-M462 HydrophobicContact CG2-CB 3.81Å; I366-M462 HydrophobicContact CG2-CE 3.97Å; E458-M462 WeakPolarHBondContact O-CG 3.3Å; E458-M462 PolarHBondContact O-N 3Å; T459-M462 WeakPolarHBondContact O-CB 3.37Å; T459-M462 PolarHBondContact O-N 3.24Å; M460-M462 VanDerWaalsContact C-N 3.33Å; M460-M462 PolarHBondContact O-N 2.64Å; M462-L464 PolarHBondContact O-N 3.03Å; M462-N465 WeakPolarHBondContact O-CB 3.45Å; M462-N465 PolarHBondContact O-N 2.9Å; M462-R466 WeakPolarHBondContact O-CG 3.28Å; M462-R466 PolarHBondContact O-N 3.35Å
463	L	96.9	Very high	91.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.1	-46.5	176.5	-70.2	167.8	0	0	0	112.2	I366 F369 T459 M460 N465 R466 I467 C481 V484 L488	I366-L463 HydrophobicContact CD1-CD2 4.13Å; I366-L463 HydrophobicContact CD1-CG 4.09Å; I366-L463 HydrophobicContact CG1-CD2 3.95Å; I366-L463 HydrophobicContact CG1-CG 4.44Å; I366-L463 HydrophobicContact CG2-CD2 4.33Å; F369-L463 HydrophobicContact CD2-CD2 4.14Å; F369-L463 HydrophobicContact CE2-CD2 3.77Å; T459-L463 PolarHBondContact O-N 3.16Å; M460-L463 PolarHBondContact O-N 2.98Å; L463-N465 VanDerWaalsContact C-N 3.31Å; L463-N465 PolarHBondContact O-N 3.07Å; L463-R466 PolarHBondContact O-N 3.19Å; L463-I467 WeakPolarHBondContact O-CG1 3.29Å; L463-I467 PolarHBondContact O-N 2.82Å; L463-C481 HydrophobicContact CD2-CB 4.22Å; L463-V484 HydrophobicContact CD1-CB 4.3Å; L463-V484 HydrophobicContact CD1-CG1 3.71Å; L463-V484 HydrophobicContact CD2-CB 4.45Å; L463-V484 HydrophobicContact CD2-CG1 4.35Å; L463-L488 HydrophobicContact CD1-CD1 4.17Å
464	L	95.9	Very high	90.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.4	-30.9	177.2	-70.3	166.6	0	0	0	112.8	M460 S461 M462 T468 Y595	M460-L464 WeakPolarHBondContact O-CB 3.25Å; M460-L464 WeakPolarHBondContact O-CG 3.47Å; M460-L464 PolarHBondContact O-N 3.29Å; S461-L464 PolarHBondContact O-N 2.86Å; M462-L464 PolarHBondContact O-N 3.03Å; L464-T468 WeakPolarHBondContact O-CB 3.42Å; L464-T468 WeakPolarHBondContact O-CG2 3.47Å; L464-T468 PolarHBondContact O-N 3.47Å; L464-T468 PolarHBondContact O-OG1 3.03Å; L464-Y595 HydrophobicContact CB-CD1 4.1Å; L464-Y595 HydrophobicContact CB-CD2 3.96Å; L464-Y595 HydrophobicContact CB-CE1 4.15Å; L464-Y595 HydrophobicContact CB-CE2 3.99Å; L464-Y595 HydrophobicContact CB-CG 4.02Å; L464-Y595 HydrophobicContact CD1-CD2 3.97Å; L464-Y595 HydrophobicContact CD1-CE2 4.24Å
465	N	94.7	Very high	90.5	Very high	61 Å²	61	48.4 Å²	48.4	33%	0.326	25%	0.247	S	C	.	.	H	α-helix	trans	-67	-43.5	169.5	-81.6	-59.1	0	0	0	111.7	S461 M462 L463 I467 T468 A469 Y595	S461-N465 WeakPolarHBondContact O-CB 3.38Å; S461-N465 PolarHBondContact O-N 3.39Å; S461-N465 PolarHBondContact O-ND2 3.02Å; S461-N465 PolarHBondContact OG-ND2 3.38Å; M462-N465 WeakPolarHBondContact O-CB 3.45Å; M462-N465 PolarHBondContact O-N 2.9Å; L463-N465 VanDerWaalsContact C-N 3.31Å; L463-N465 PolarHBondContact O-N 3.07Å; N465-I467 VanDerWaalsContact C-N 3.29Å; N465-I467 PolarHBondContact O-N 3.45Å; N465-T468 CarbonylContact O-C 3.56Å; N465-T468 PolarHBondContact O-N 3.22Å; N465-A469 VanDerWaalsContact O-CB 3.23Å; N465-A469 WeakPolarHBondContact O-CB 3.45Å; N465-A469 PolarHBondContact O-N 2.81Å; N465-Y595 VanDerWaalsContact CG-OH 3.29Å; N465-Y595 PolarHBondContact ND2-OH 3.41Å; N465-Y595 PolarHBondContact OD1-OH 3.01Å
466	R	93.5	Very high	90.4	Very high	70 Å²	70	48.9 Å²	48.9	26%	0.264	25%	0.25	S	S	.	.	H	α-helix	trans	-59.7	-39.8	175.3	-60	-56.7	-169.3	-135.6	-8.9	112.1	I366 F369 M462 L463 T468 I477	I366-R466 HydrophobicContact CG2-CG 4.05Å; I366-R466 PolarHBondContact O-NE 3.08Å; I366-R466 PolarHBondContact O-NH2 3.47Å; F369-R466 HydrophobicContact CB-CB 4.02Å; F369-R466 HydrophobicContact CB-CG 3.87Å; F369-R466 WeakPolarHBondContact O-CD 3.44Å; M462-R466 WeakPolarHBondContact O-CG 3.28Å; M462-R466 PolarHBondContact O-N 3.35Å; L463-R466 PolarHBondContact O-N 3.19Å; R466-T468 PolarHBondContact O-N 3.04Å; R466-I477 HydrophobicContact CB-CG2 4.42Å
467	I	93.7	Very high	90.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-24.4	174	-65.9	167	0	0	0	112.7	L463 N465 V473 L478 C481 V482 L599 L602	L463-I467 WeakPolarHBondContact O-CG1 3.29Å; L463-I467 PolarHBondContact O-N 2.82Å; N465-I467 VanDerWaalsContact C-N 3.29Å; N465-I467 PolarHBondContact O-N 3.45Å; I467-V473 WeakPolarHBondContact O-CG2 3.3Å; I467-L478 HydrophobicContact CG2-CD1 4.39Å; I467-L478 HydrophobicContact CG2-CG 4.21Å; I467-C481 HydrophobicContact CD1-CB 3.63Å; I467-C481 HydrophobicContact CG1-CB 3.56Å; I467-V482 HydrophobicContact CD1-CG2 4.16Å; I467-L599 HydrophobicContact CG2-CD2 3.8Å; I467-L602 HydrophobicContact CG2-CD1 4.1Å; I467-L602 VanDerWaalsContact O-CD1 3.27Å; I467-L602 WeakPolarHBondContact O-CD1 3.45Å
468	T	91.8	Very high	90.2	Very high	15 Å²	15	43.8 Å²	43.8	9%	0.092	22%	0.224	C	C	.	.	H	α-helix	trans	-131.6	8.5	-166.4	68.8	0	0	0	0	116.5	L464 N465 R466 Y595 K598 L599 L602	L464-T468 WeakPolarHBondContact O-CB 3.42Å; L464-T468 WeakPolarHBondContact O-CG2 3.47Å; L464-T468 PolarHBondContact O-N 3.47Å; L464-T468 PolarHBondContact O-OG1 3.03Å; N465-T468 CarbonylContact O-C 3.56Å; N465-T468 PolarHBondContact O-N 3.22Å; R466-T468 PolarHBondContact O-N 3.04Å; T468-Y595 HydrophobicContact CG2-CD1 4.13Å; T468-Y595 VanDerWaalsContact OG1-CD1 3.25Å; T468-Y595 WeakPolarHBondContact OG1-CD1 3.32Å; T468-K598 HydrophobicContact CG2-CB 3.84Å; T468-K598 HydrophobicContact CG2-CD 4.12Å; T468-L599 HydrophobicContact CG2-CD2 4.31Å; T468-L602 HydrophobicContact CG2-CD1 3.94Å
469	A	84.3	Confident	90.1	Very high	71 Å²	71	38.9 Å²	38.9	59%	0.587	20%	0.203	S	C	*	.	S	Bend	trans	-74.1	-37.6	-178.4	0	0	0	0	0	113.1	N465	N465-A469 VanDerWaalsContact O-CB 3.23Å; N465-A469 WeakPolarHBondContact O-CB 3.45Å; N465-A469 PolarHBondContact O-N 2.81Å
470	N	76.2	Confident	90.1	Very high	77 Å²	77	38.9 Å²	38.9	41%	0.412	20%	0.203	S	C	.	.	S	Bend	trans	-104.9	150.4	-170.9	-65.5	-28.8	0	0	0	112	Y472	N470-Y472 VanDerWaalsContact C-N 3.27Å; N470-Y472 WeakPolarHBondContact CB-O 3.38Å; N470-Y472 PolarHBondContact O-N 3.06Å
471	E	71.2	Confident	90.1	Very high	139 Å²	139	38.9 Å²	38.9	65%	0.65	20%	0.203	S	C	*	.	S	Bend	trans	-62.9	-37.9	176.7	-174.1	179	-170.7	0	0	111.9	R605	E471-R605 PolarHBondContact O-NH1 3.02Å
472	Y	76.7	Confident	90.1	Very high	156 Å²	156	37.3 Å²	37.3	61%	0.612	19%	0.192	S	C	*	.	S	Bend	trans	-113.8	126.8	170.3	-59.5	-90.8	0	0	0	108	N470 P608	N470-Y472 VanDerWaalsContact C-N 3.27Å; N470-Y472 WeakPolarHBondContact CB-O 3.38Å; N470-Y472 PolarHBondContact O-N 3.06Å; Y472-P608 HydrophobicContact CD1-CG 4.4Å
473	V	80.8	Confident	90	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.042	19%	0.194	C	C	.	.			trans	-111.3	133	-177.6	-173.4	0	0	0	0	107.7	I467 I477 L478 L602	I467-V473 WeakPolarHBondContact O-CG2 3.3Å; V473-I477 HydrophobicContact CG1-CG2 4.49Å; V473-L478 HydrophobicContact CG1-CB 4Å; V473-L478 HydrophobicContact CG1-CD1 4.32Å; V473-L602 HydrophobicContact CG2-CD2 3.68Å
474	E	87.2	Confident	90	Very high	55 Å²	55	37.6 Å²	37.6	26%	0.257	19%	0.194	S	C	.	.			trans	-66.9	136.5	-179.6	-160.2	-172.1	141	0	0	110.6	H378 S476 I477 L478	H378-E474 IonicContact CE1-OE2 3.17Å; H378-E474 PolarHBondContact CE1-OE2 3.41Å; H378-E474 IonicContact ND1-OE1 3.37Å; H378-E474 IonicContact ND1-OE2 2.95Å; E474-S476 WeakPolarHBondContact CG-OG 3.48Å; E474-S476 PolarHBondContact O-N 3.47Å; E474-S476 PolarHBondContact OE1-OG 2.88Å; E474-I477 HydrophobicContact CB-CB 4.35Å; E474-I477 HydrophobicContact CB-CD1 3.91Å; E474-I477 HydrophobicContact CB-CG1 4.11Å; E474-I477 PolarHBondContact O-N 2.86Å; E474-L478 PolarHBondContact O-N 3.32Å; E474-L478 VanDerWaalsContact O-N 3.11Å
475	P	89.7	Confident	90.1	Very high	45 Å²	45	37.6 Å²	37.6	29%	0.292	19%	0.194	S	C	.	.	H	α-helix	trans	-56.4	-34.8	179.1	-29.1	36.1	0	0	0	114.6	V479 C628	P475-V479 WeakPolarHBondContact O-CB 3.26Å; P475-V479 VanDerWaalsContact O-CG2 3.22Å; P475-V479 WeakPolarHBondContact O-CG2 3.42Å; P475-V479 PolarHBondContact O-N 3.1Å; P475-V479 VanDerWaalsContact O-N 3.13Å; P475-C628 VanDerWaalsContact CA-SG 3.56Å; P475-C628 VanDerWaalsContact CB-SG 3.56Å
476	S	92.3	Very high	90.1	Very high	9 Å²	9	34.9 Å²	34.9	6%	0.063	18%	0.18	C	C	.	.	H	α-helix	trans	-64.1	-53.3	178	60.9	0	0	0	0	111.4	S375 H378 E474 L478 V479 S480	S375-S476 WeakPolarHBondContact OG-CB 3.35Å; H378-S476 PolarHBondContact ND1-OG 2.86Å; E474-S476 WeakPolarHBondContact CG-OG 3.48Å; E474-S476 PolarHBondContact O-N 3.47Å; E474-S476 PolarHBondContact OE1-OG 2.88Å; S476-L478 PolarHBondContact O-N 3.36Å; S476-V479 PolarHBondContact O-N 3.11Å; S476-S480 WeakPolarHBondContact O-CB 3.36Å; S476-S480 PolarHBondContact O-N 3.4Å; S476-S480 PolarHBondContact O-OG 3.22Å
477	I	94.4	Very high	90.1	Very high	4 Å²	4	32 Å²	32	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-54	-53	176.3	-67.1	173	0	0	0	110.8	F369 P371 H378 R466 V473 E474 V479 S480 C481	F369-I477 HydrophobicContact CB-CG2 4.15Å; P371-I477 HydrophobicContact CG-CD1 3.82Å; H378-I477 VanDerWaalsContact CE1-CG1 3.44Å; H378-I477 WeakPolarHBondContact CE1-CG1 3.2Å; R466-I477 HydrophobicContact CB-CG2 4.42Å; V473-I477 HydrophobicContact CG1-CG2 4.49Å; E474-I477 HydrophobicContact CB-CB 4.35Å; E474-I477 HydrophobicContact CB-CD1 3.91Å; E474-I477 HydrophobicContact CB-CG1 4.11Å; E474-I477 PolarHBondContact O-N 2.86Å; I477-V479 PolarHBondContact O-N 2.99Å; I477-S480 PolarHBondContact O-N 3.05Å; I477-C481 WeakPolarHBondContact O-CB 3.4Å; I477-C481 PolarHBondContact O-N 3.04Å; I477-C481 PolarHBondContact O-SG 2.95Å
478	L	94.1	Very high	90.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-46.7	-174.3	-172.1	159.6	0	0	0	111.5	I467 V473 E474 S476 V482 C628 A631 I632	I467-L478 HydrophobicContact CG2-CD1 4.39Å; I467-L478 HydrophobicContact CG2-CG 4.21Å; V473-L478 HydrophobicContact CG1-CB 4Å; V473-L478 HydrophobicContact CG1-CD1 4.32Å; E474-L478 PolarHBondContact O-N 3.32Å; E474-L478 VanDerWaalsContact O-N 3.11Å; S476-L478 PolarHBondContact O-N 3.36Å; L478-V482 HydrophobicContact CD2-CG2 4.14Å; L478-V482 WeakPolarHBondContact O-CB 3.45Å; L478-V482 VanDerWaalsContact O-CG2 3.29Å; L478-V482 WeakPolarHBondContact O-CG2 3.31Å; L478-V482 PolarHBondContact O-N 3.07Å; L478-C628 HydrophobicContact CD1-CB 4.2Å; L478-C628 HydrophobicContact CD2-CB 4.46Å; L478-A631 HydrophobicContact CD2-CB 3.75Å; L478-I632 HydrophobicContact CD1-CD1 4.24Å; L478-I632 HydrophobicContact CD1-CG1 4.38Å; L478-I632 HydrophobicContact CD2-CG1 4.3Å
479	V	93.7	Very high	90.2	Very high	31 Å²	31	31.5 Å²	31.5	19%	0.188	17%	0.168	C	C	.	.	H	α-helix	trans	-65.1	-42.3	178.1	173.4	0	0	0	0	110.9	P475 S476 I477 V482 N483 R627 A631	P475-V479 WeakPolarHBondContact O-CB 3.26Å; P475-V479 VanDerWaalsContact O-CG2 3.22Å; P475-V479 WeakPolarHBondContact O-CG2 3.42Å; P475-V479 PolarHBondContact O-N 3.1Å; P475-V479 VanDerWaalsContact O-N 3.13Å; S476-V479 PolarHBondContact O-N 3.11Å; I477-V479 PolarHBondContact O-N 2.99Å; V479-V482 PolarHBondContact O-N 3.18Å; V479-N483 WeakPolarHBondContact O-CB 3.44Å; V479-N483 VanDerWaalsContact O-CG 3.25Å; V479-N483 PolarHBondContact O-N 3.13Å; V479-R627 HydrophobicContact CG2-CB 3.8Å; V479-A631 HydrophobicContact CG2-CB 4.22Å
480	S	95.6	Very high	90.4	Very high	4 Å²	4	30.3 Å²	30.3	3%	0.028	16%	0.162	C	C	.	.	H	α-helix	trans	-61.3	-50.9	178.1	-69.1	0	0	0	0	112.3	H378 S476 I477 V482 N483 V484	H378-S480 PolarHBondContact O-OG 2.9Å; S476-S480 WeakPolarHBondContact O-CB 3.36Å; S476-S480 PolarHBondContact O-N 3.4Å; S476-S480 PolarHBondContact O-OG 3.22Å; I477-S480 PolarHBondContact O-N 3.05Å; S480-V482 PolarHBondContact O-N 2.97Å; S480-N483 PolarHBondContact O-N 3.36Å; S480-V484 WeakPolarHBondContact O-CG2 3.45Å; S480-V484 PolarHBondContact O-N 3.25Å; S480-V484 VanDerWaalsContact O-N 3.08Å
481	C	96.6	Very high	90.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.8	-38.7	177.2	-64.2	0	0	0	0	112.2	F369 L463 I467 I477 V484 C485	F369-C481 WeakPolarHBondContact CD2-SG 3.42Å; F369-C481 VanDerWaalsContact CG-SG 3.54Å; L463-C481 HydrophobicContact CD2-CB 4.22Å; I467-C481 HydrophobicContact CD1-CB 3.63Å; I467-C481 HydrophobicContact CG1-CB 3.56Å; I477-C481 WeakPolarHBondContact O-CB 3.4Å; I477-C481 PolarHBondContact O-N 3.04Å; I477-C481 PolarHBondContact O-SG 2.95Å; C481-V484 PolarHBondContact O-N 3.03Å; C481-C485 PolarHBondContact O-N 3.21Å; C481-C485 PolarHBondContact O-SG 3.1Å; C481-C485 VanDerWaalsContact O-SG 3.41Å
482	V	95.7	Very high	90.4	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.012	14%	0.141	C	C	.	.	H	α-helix	trans	-62	-42.5	173.1	167.4	0	0	0	0	111.2	I467 L478 V479 S480 V484 C485 M486 A631 L635	I467-V482 HydrophobicContact CD1-CG2 4.16Å; L478-V482 HydrophobicContact CD2-CG2 4.14Å; L478-V482 WeakPolarHBondContact O-CB 3.45Å; L478-V482 VanDerWaalsContact O-CG2 3.29Å; L478-V482 WeakPolarHBondContact O-CG2 3.31Å; L478-V482 PolarHBondContact O-N 3.07Å; V479-V482 PolarHBondContact O-N 3.18Å; S480-V482 PolarHBondContact O-N 2.97Å; V482-V484 VanDerWaalsContact C-N 3.32Å; V482-V484 PolarHBondContact O-N 3.41Å; V482-C485 WeakPolarHBondContact O-CB 3.36Å; V482-C485 PolarHBondContact O-N 3.45Å; V482-M486 HydrophobicContact CG1-CG 4.08Å; V482-M486 WeakPolarHBondContact O-CB 3.37Å; V482-M486 VanDerWaalsContact O-CG 3.24Å; V482-M486 WeakPolarHBondContact O-CG 3.28Å; V482-M486 PolarHBondContact O-N 3.13Å; V482-A631 HydrophobicContact CB-CB 4.23Å; V482-A631 HydrophobicContact CG1-CB 4.09Å; V482-A631 HydrophobicContact CG2-CB 4.18Å; V482-L635 HydrophobicContact CG1-CB 4.22Å; V482-L635 HydrophobicContact CG2-CB 4.44Å; V482-L635 HydrophobicContact CG2-CD2 4.33Å
483	N	95.6	Very high	89.4	Confident	41 Å²	41	25.7 Å²	25.7	22%	0.219	14%	0.138	C	C	.	.	H	α-helix	trans	-62.1	-38	177.8	-74.6	-15.5	0	0	0	112.4	I386 V479 S480 M486 A487	I386-N483 HydrophobicContact CD1-CB 3.97Å; V479-N483 WeakPolarHBondContact O-CB 3.44Å; V479-N483 VanDerWaalsContact O-CG 3.25Å; V479-N483 PolarHBondContact O-N 3.13Å; S480-N483 PolarHBondContact O-N 3.36Å; N483-M486 PolarHBondContact O-N 3.17Å; N483-A487 PolarHBondContact O-N 3.24Å
484	V	97	Very high	87.2	Confident	3 Å²	3	28.3 Å²	28.3	2%	0.018	16%	0.155	C	C	.	.	H	α-helix	trans	-63.5	-47.7	172	179.4	0	0	0	0	110.9	F369 A382 L385 I386 I389 L463 S480 C481 V482 M486 A487 L488	F369-V484 HydrophobicContact CZ-CG2 4.43Å; A382-V484 HydrophobicContact CB-CG2 3.87Å; L385-V484 HydrophobicContact CB-CG1 4.24Å; L385-V484 HydrophobicContact CB-CG2 3.98Å; L385-V484 HydrophobicContact CD1-CG1 4.38Å; L385-V484 HydrophobicContact CD1-CG2 4.03Å; I386-V484 HydrophobicContact CD1-CG2 4.36Å; I386-V484 HydrophobicContact CG1-CB 4.49Å; I386-V484 HydrophobicContact CG1-CG2 4.06Å; I389-V484 HydrophobicContact CD1-CG1 4.39Å; L463-V484 HydrophobicContact CD1-CB 4.3Å; L463-V484 HydrophobicContact CD1-CG1 3.71Å; L463-V484 HydrophobicContact CD2-CB 4.45Å; L463-V484 HydrophobicContact CD2-CG1 4.35Å; S480-V484 WeakPolarHBondContact O-CG2 3.45Å; S480-V484 PolarHBondContact O-N 3.25Å; S480-V484 VanDerWaalsContact O-N 3.08Å; C481-V484 PolarHBondContact O-N 3.03Å; V482-V484 VanDerWaalsContact C-N 3.32Å; V482-V484 PolarHBondContact O-N 3.41Å; V484-M486 VanDerWaalsContact C-N 3.29Å; V484-M486 PolarHBondContact O-N 2.93Å; V484-A487 PolarHBondContact O-N 2.84Å; V484-A487 VanDerWaalsContact O-N 3.17Å; V484-L488 HydrophobicContact CG1-CD1 4.27Å; V484-L488 WeakPolarHBondContact O-CG 3.2Å; V484-L488 PolarHBondContact O-N 3.43Å
485	C	96.5	Very high	85	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.5	-40.1	174.5	-71.4	0	0	0	0	112.6	C481 V482 L488 I489 L588 L635	C481-C485 PolarHBondContact O-N 3.21Å; C481-C485 PolarHBondContact O-SG 3.1Å; C481-C485 VanDerWaalsContact O-SG 3.41Å; V482-C485 WeakPolarHBondContact O-CB 3.36Å; V482-C485 PolarHBondContact O-N 3.45Å; C485-L488 PolarHBondContact O-N 3.21Å; C485-I489 PolarHBondContact O-N 3.14Å; C485-L588 HydrophobicContact CB-CD2 3.93Å; C485-L635 HydrophobicContact CB-CD1 3.93Å
486	M	94.5	Very high	82.2	Confident	4 Å²	4	36.1 Å²	36.1	2%	0.02	20%	0.2	C	C	.	.	H	α-helix	trans	-67.1	-33	177.6	-73.2	-60.8	-60.2	0	0	113	V482 N483 V484 I489 G490 K491 R492 Q634 S638	V482-M486 HydrophobicContact CG1-CG 4.08Å; V482-M486 WeakPolarHBondContact O-CB 3.37Å; V482-M486 VanDerWaalsContact O-CG 3.24Å; V482-M486 WeakPolarHBondContact O-CG 3.28Å; V482-M486 PolarHBondContact O-N 3.13Å; N483-M486 PolarHBondContact O-N 3.17Å; V484-M486 VanDerWaalsContact C-N 3.29Å; V484-M486 PolarHBondContact O-N 2.93Å; M486-I489 HydrophobicContact SD-CD1 4.3Å; M486-G490 PolarHBondContact O-N 2.82Å; M486-K491 HydrophobicContact CE-CB 3.42Å; M486-K491 VanDerWaalsContact CE-CB 3.42Å; M486-K491 WeakPolarHBondContact CE-O 3.4Å; M486-K491 CarbonylContact O-C 3.54Å; M486-K491 PolarHBondContact O-N 2.88Å; M486-R492 PolarHBondContact O-N 2.87Å; M486-R492 VanDerWaalsContact O-N 3.14Å; M486-Q634 HydrophobicContact CE-CG 4.2Å; M486-Q634 HydrophobicContact SD-CG 4.2Å; M486-S638 WeakPolarHBondContact CE-OG 3.45Å; M486-S638 VanDerWaalsContact SD-CB 3.59Å; M486-S638 PolarHBondContact SD-OG 3.32Å; M486-S638 VanDerWaalsContact SD-OG 3.41Å
487	A	94.7	Very high	79.1	Confident	10 Å²	10	39.4 Å²	39.4	8%	0.083	22%	0.223	C	C	.	.	H	α-helix	trans	-71.4	-42.1	171.5	0	0	0	0	0	112	I386 I389 R393 N483 V484 I489 G490	I386-A487 HydrophobicContact CB-CB 4.24Å; I386-A487 HydrophobicContact CG1-CB 3.89Å; I386-A487 HydrophobicContact CG2-CB 3.6Å; I389-A487 HydrophobicContact CD1-CB 4.43Å; R393-A487 PolarHBondContact NH1-O 3.48Å; N483-A487 PolarHBondContact O-N 3.24Å; V484-A487 PolarHBondContact O-N 2.84Å; V484-A487 VanDerWaalsContact O-N 3.17Å; A487-I489 PolarHBondContact O-N 2.75Å; A487-G490 PolarHBondContact O-N 2.8Å
488	L	94.8	Very high	75.8	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-56.7	-35.2	176.6	-73.6	168.4	0	0	0	112.4	I389 R393 L454 E455 M460 L463 V484 C485 A584	I389-L488 HydrophobicContact CD1-CD2 3.53Å; I389-L488 HydrophobicContact CD1-CG 3.75Å; I389-L488 HydrophobicContact CG1-CD2 4.1Å; R393-L488 PolarHBondContact NH2-O 2.97Å; L454-L488 HydrophobicContact CB-CD2 4.43Å; L454-L488 WeakPolarHBondContact O-CD2 3.23Å; E455-L488 HydrophobicContact CG-CD2 4.06Å; M460-L488 HydrophobicContact CE-CB 4.29Å; M460-L488 HydrophobicContact CE-CD1 3.96Å; M460-L488 HydrophobicContact CE-CD2 4.41Å; M460-L488 HydrophobicContact CE-CG 4.46Å; M460-L488 HydrophobicContact CG-CD1 4.25Å; L463-L488 HydrophobicContact CD1-CD1 4.17Å; V484-L488 HydrophobicContact CG1-CD1 4.27Å; V484-L488 WeakPolarHBondContact O-CG 3.2Å; V484-L488 PolarHBondContact O-N 3.43Å; C485-L488 PolarHBondContact O-N 3.21Å; L488-A584 VanDerWaalsContact O-CB 3.26Å; L488-A584 WeakPolarHBondContact O-CB 3.3Å
489	I	92.4	Very high	72.7	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	11.7	175.7	66.1	173.6	0	0	0	114.8	C485 M486 A487 K491 L588 L639 L642	C485-I489 PolarHBondContact O-N 3.14Å; M486-I489 HydrophobicContact SD-CD1 4.3Å; A487-I489 PolarHBondContact O-N 2.75Å; I489-K491 VanDerWaalsContact C-N 3.3Å; I489-K491 HydrophobicContact CD1-CB 4.26Å; I489-K491 HydrophobicContact CD1-CG 4.09Å; I489-K491 HydrophobicContact CG1-CB 4Å; I489-K491 HydrophobicContact CG1-CG 3.93Å; I489-K491 WeakPolarHBondContact O-CG 3.48Å; I489-K491 PolarHBondContact O-N 3.04Å; I489-L588 HydrophobicContact CG2-CB 4.32Å; I489-L588 HydrophobicContact CG2-CD2 3.64Å; I489-L639 HydrophobicContact CD1-CD2 4.46Å; I489-L642 HydrophobicContact CB-CD1 4.45Å; I489-L642 HydrophobicContact CD1-CD1 4.22Å; I489-L642 HydrophobicContact CG2-CD1 4.27Å
490	G	87.5	Confident	69.4	Low	46 Å²	46	53.8 Å²	53.8	47%	0.474	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	26.7	176.5	0	0	0	0	0	114.6	M486 A487	M486-G490 PolarHBondContact O-N 2.82Å; A487-G490 PolarHBondContact O-N 2.8Å
491	K	82.1	Confident	66.1	Low	84 Å²	84	55.5 Å²	55.5	37%	0.365	32%	0.319	S	S	.	.			trans	-118.4	6	-173.9	-64.3	-102.2	-177.5	161.6	0	114.1	M486 I489 K493 S641	M486-K491 HydrophobicContact CE-CB 3.42Å; M486-K491 VanDerWaalsContact CE-CB 3.42Å; M486-K491 WeakPolarHBondContact CE-O 3.4Å; M486-K491 CarbonylContact O-C 3.54Å; M486-K491 PolarHBondContact O-N 2.88Å; I489-K491 VanDerWaalsContact C-N 3.3Å; I489-K491 HydrophobicContact CD1-CB 4.26Å; I489-K491 HydrophobicContact CD1-CG 4.09Å; I489-K491 HydrophobicContact CG1-CB 4Å; I489-K491 HydrophobicContact CG1-CG 3.93Å; I489-K491 WeakPolarHBondContact O-CG 3.48Å; I489-K491 PolarHBondContact O-N 3.04Å; K491-K493 PolarHBondContact O-N 2.98Å; K491-S641 PolarHBondContact NZ-OG 2.71Å
492	R	67.1	Low	62.8	Low	68 Å²	68	61.6 Å²	61.6	26%	0.257	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-60.9	122.1	171.8	-175.6	178.8	-179	-154.4	7.9	108.9	E387 M486 E495	E387-R492 IonicContact OE1-NH1 2.67Å; E387-R492 PolarHBondContact OE1-NH1 3.39Å; M486-R492 PolarHBondContact O-N 2.87Å; M486-R492 VanDerWaalsContact O-N 3.14Å; R492-E495 IonicContact CZ-OE1 3.79Å; R492-E495 IonicContact NE-OE1 3.25Å; R492-E495 PolarHBondContact NE-OE1 2.74Å; R492-E495 IonicContact NH2-OE1 2.62Å; R492-E495 PolarHBondContact NH2-OE1 3.26Å; R492-E495 IonicContact NH2-OE2 2.96Å
493	K	54	Low	59.3	Low	123 Å²	123	68.3 Å²	68.3	54%	0.535	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-76.5	138.4	169.7	-65.9	-173.6	178.7	-176	0	108.5	K491	K491-K493 PolarHBondContact O-N 2.98Å
494	P	36.3	Very low	55.9	Low	63 Å²	63	69.6 Å²	69.6	41%	0.409	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-66.8	137.6	176.4	27.9	-34	0	0	0	110.6	S496	P494-S496 PolarHBondContact O-N 3.3Å
495	E	39.5	Very low	52.7	Low	152 Å²	152	78.3 Å²	78.3	71%	0.71	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-9.6	-166.2	-71.3	165.6	-167.5	0	0	114.4	R492	R492-E495 IonicContact CZ-OE1 3.79Å; R492-E495 IonicContact NE-OE1 3.25Å; R492-E495 PolarHBondContact NE-OE1 2.74Å; R492-E495 IonicContact NH2-OE1 2.62Å; R492-E495 PolarHBondContact NH2-OE1 3.26Å; R492-E495 IonicContact NH2-OE2 2.96Å
496	S	30.9	Very low	49.3	Very low	112 Å²	112	81.6 Å²	81.6	78%	0.783	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-0	-177.4	58.2	0	0	0	0	115.1	P494	P494-S496 PolarHBondContact O-N 3.3Å
497	S	28.1	Very low	46.2	Very low	78 Å²	78	84.7 Å²	84.7	55%	0.545	51%	0.507	S	S	.	.			trans	-108.7	114.8	-174.2	-60.6	0	0	0	0	112.9
498	F	25.8	Very low	43.8	Very low	133 Å²	133	87.6 Å²	87.6	58%	0.583	52%	0.521	S	S	*	.			trans	-55.7	147.5	155.9	-72.2	-91.7	0	0	0	109.5	V500	F498-V500 PolarHBondContact O-N 3.43Å
499	P	27.7	Very low	41.4	Very low	65 Å²	65	92.8 Å²	92.8	42%	0.422	55%	0.548	S	S	.	.			trans	-67.2	100.9	175.1	25.5	-29.3	0	0	0	110.2	S929	P499-S929 WeakPolarHBondContact CD-OG 3.43Å; P499-S929 WeakPolarHBondContact CG-OG 3.25Å; P499-S929 PolarHBondContact O-OG 3.28Å
500	V	24	Very low	39.2	Very low	138 Å²	138	93.5 Å²	93.5	84%	0.836	55%	0.551	S	S	*	*			trans	-53.6	151.8	144	-176.7	0	0	0	0	107.7	F498	F498-V500 PolarHBondContact O-N 3.43Å
501	G	26.6	Very low	36.9	Very low	40 Å²	40	94.7 Å²	94.7	41%	0.412	55%	0.547	S	S	.	.			trans	-52	159.6	-175.8	0	0	0	0	0	114	D503	G501-D503 PolarHBondContact O-N 2.86Å
502	E	27.1	Very low	35	Very low	129 Å²	129	92.8 Å²	92.8	60%	0.603	55%	0.547	S	S	*	.	S	Bend	trans	-65.3	-3.5	-175.4	-62	-173.7	118.5	0	0	113.6	G504	E502-G504 PolarHBondContact O-N 2.81Å
503	D	23.2	Very low	33.7	Very low	142 Å²	142	90.8 Å²	90.8	76%	0.759	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	47.7	-177.3	-43.1	-50.7	0	0	0	113.2	G501	G501-D503 PolarHBondContact O-N 2.86Å
504	G	23.6	Very low	33.2	Very low	68 Å²	68	87.4 Å²	87.4	70%	0.701	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-164.7	-21.8	-176	0	0	0	0	0	117.5	E502 G506	E502-G504 PolarHBondContact O-N 2.81Å; G504-G506 PolarHBondContact O-N 3.49Å; G504-G506 VanDerWaalsContact O-N 3.13Å
505	Y	29.4	Very low	33.6	Very low	187 Å²	187	93 Å²	93	73%	0.733	55%	0.546	S	S	*	.	S	Bend	trans	-76	104.8	170	-91.4	-87.6	0	0	0	109.4	G507	Y505-G507 VanDerWaalsContact C-N 3.34Å; Y505-G507 PolarHBondContact O-N 2.87Å
506	G	26.2	Very low	33.6	Very low	69 Å²	69	89.9 Å²	89.9	71%	0.711	53%	0.531	S	S	*	.			trans	-57.4	95.3	172.9	0	0	0	0	0	110.5	G504 L508	G504-G506 PolarHBondContact O-N 3.49Å; G504-G506 VanDerWaalsContact O-N 3.13Å; G506-L508 PolarHBondContact O-N 3.5Å; G506-L508 VanDerWaalsContact O-N 3.13Å
507	G	29.9	Very low	33.8	Very low	69 Å²	69	88.2 Å²	88.2	71%	0.711	52%	0.519	S	S	*	.			trans	-55.3	119.4	179.8	0	0	0	0	0	109.5	Y505 D509	Y505-G507 VanDerWaalsContact C-N 3.34Å; Y505-G507 PolarHBondContact O-N 2.87Å; G507-D509 PolarHBondContact O-N 3.26Å
508	L	44.4	Very low	34.2	Very low	71 Å²	71	86.9 Å²	86.9	37%	0.372	52%	0.518	S	S	.	.			trans	-62.6	106.7	177.6	-64.5	-177	0	0	0	108.5	G506 F510 K578 I581	G506-L508 PolarHBondContact O-N 3.5Å; G506-L508 VanDerWaalsContact O-N 3.13Å; L508-F510 HydrophobicContact CB-CD2 3.66Å; L508-F510 HydrophobicContact CB-CE2 3.44Å; L508-F510 VanDerWaalsContact CB-CE2 3.44Å; L508-F510 HydrophobicContact CB-CZ 4.14Å; L508-F510 HydrophobicContact CD1-CE2 3.71Å; L508-F510 HydrophobicContact CD1-CZ 3.7Å; L508-F510 HydrophobicContact CG-CE2 4.21Å; L508-F510 VanDerWaalsContact O-CD2 3.26Å; L508-F510 WeakPolarHBondContact O-CD2 3.46Å; L508-F510 PolarHBondContact O-N 2.83Å; L508-K578 HydrophobicContact CD2-CD 4.35Å; L508-K578 HydrophobicContact CD2-CG 4Å; L508-I581 HydrophobicContact CD1-CG2 4.45Å
509	D	43.6	Very low	35	Very low	109 Å²	109	85.9 Å²	85.9	58%	0.583	52%	0.519	S	S	*	.			trans	-69.6	78.7	170.1	-178.5	5.7	0	0	0	109.2	G507 D511 A512	G507-D509 PolarHBondContact O-N 3.26Å; D509-D511 WeakPolarHBondContact OD1-CA 3.36Å; D509-D511 WeakPolarHBondContact OD1-CB 3.38Å; D509-D511 PolarHBondContact OD1-N 3.23Å; D509-A512 PolarHBondContact OD1-N 2.99Å
510	F	46.2	Very low	35.7	Very low	17 Å²	17	85.2 Å²	85.2	8%	0.075	51%	0.511	C	S	.	.	H	α-helix	trans	-70.7	-18.5	169	-72.2	-82.7	0	0	0	111.7	L508 A512 L513 I514 I581 M582 P643	L508-F510 HydrophobicContact CB-CD2 3.66Å; L508-F510 HydrophobicContact CB-CE2 3.44Å; L508-F510 VanDerWaalsContact CB-CE2 3.44Å; L508-F510 HydrophobicContact CB-CZ 4.14Å; L508-F510 HydrophobicContact CD1-CE2 3.71Å; L508-F510 HydrophobicContact CD1-CZ 3.7Å; L508-F510 HydrophobicContact CG-CE2 4.21Å; L508-F510 VanDerWaalsContact O-CD2 3.26Å; L508-F510 WeakPolarHBondContact O-CD2 3.46Å; L508-F510 PolarHBondContact O-N 2.83Å; F510-A512 PolarHBondContact O-N 3.47Å; F510-L513 CarbonylContact O-C 3.6Å; F510-L513 WeakPolarHBondContact O-CA 3.25Å; F510-L513 PolarHBondContact O-N 3.41Å; F510-I514 HydrophobicContact CB-CD1 3.91Å; F510-I514 HydrophobicContact CB-CG1 4.38Å; F510-I514 VanDerWaalsContact O-CB 3.31Å; F510-I514 WeakPolarHBondContact O-CB 3.28Å; F510-I514 WeakPolarHBondContact O-CD1 3.45Å; F510-I514 WeakPolarHBondContact O-CG1 3.5Å; F510-I514 PolarHBondContact O-N 3.18Å; F510-I581 HydrophobicContact CZ-CG2 4.29Å; F510-M582 HydrophobicContact CD1-CG 4.26Å; F510-M582 HydrophobicContact CD1-SD 4.23Å; F510-M582 HydrophobicContact CE1-CB 3.93Å; F510-M582 HydrophobicContact CE1-CG 4.05Å; F510-P643 HydrophobicContact CB-CB 4.33Å; F510-P643 HydrophobicContact CB-CG 3.35Å; F510-P643 HydrophobicContact CD2-CG 3.39Å; F510-P643 HydrophobicContact CE2-CG 4.26Å; F510-P643 HydrophobicContact CG-CG 3.55Å
511	D	39.4	Very low	36.4	Very low	71 Å²	71	81.1 Å²	81.1	38%	0.38	49%	0.489	S	S	.	.	H	α-helix	trans	-67.3	-25.8	177.3	-71.4	-37.8	0	0	0	110.9	D509 N694	D509-D511 WeakPolarHBondContact OD1-CA 3.36Å; D509-D511 WeakPolarHBondContact OD1-CB 3.38Å; D509-D511 PolarHBondContact OD1-N 3.23Å; D511-N694 PolarHBondContact OD2-ND2 3.27Å
512	A	43.2	Very low	37.1	Very low	45 Å²	45	83.5 Å²	83.5	37%	0.372	49%	0.492	S	S	.	.	H	α-helix	trans	-69.2	-38.8	164.2	0	0	0	0	0	113.6	D509 F510 F516	D509-A512 PolarHBondContact OD1-N 2.99Å; F510-A512 PolarHBondContact O-N 3.47Å; A512-F516 VanDerWaalsContact O-CD2 3.32Å; A512-F516 WeakPolarHBondContact O-CD2 3.42Å; A512-F516 WeakPolarHBondContact O-CE2 3.46Å
513	L	37.7	Very low	37.9	Very low	25 Å²	25	79.2 Å²	79.2	13%	0.131	47%	0.473	C	S	.	.	H	α-helix	trans	-80.7	-35	-177.7	-130.8	85.2	0	0	0	113.5	F510 K515 F516 L579 M582	F510-L513 CarbonylContact O-C 3.6Å; F510-L513 WeakPolarHBondContact O-CA 3.25Å; F510-L513 PolarHBondContact O-N 3.41Å; L513-K515 PolarHBondContact O-N 3.43Å; L513-F516 WeakPolarHBondContact O-CA 3.34Å; L513-F516 WeakPolarHBondContact O-CB 3.45Å; L513-F516 PolarHBondContact O-N 3.2Å; L513-L579 HydrophobicContact CD2-CD1 4.26Å; L513-M582 HydrophobicContact CB-SD 4.49Å; L513-M582 HydrophobicContact CD2-CE 4.03Å; L513-M582 HydrophobicContact CD2-SD 3.82Å
514	I	45.4	Very low	38.7	Very low	52 Å²	52	75 Å²	75	27%	0.267	45%	0.45	S	S	.	.	H	α-helix	trans	-65.8	-27.3	-179.5	-71	161.8	0	0	0	110.9	F510 F516 S517 P643	F510-I514 HydrophobicContact CB-CD1 3.91Å; F510-I514 HydrophobicContact CB-CG1 4.38Å; F510-I514 VanDerWaalsContact O-CB 3.31Å; F510-I514 WeakPolarHBondContact O-CB 3.28Å; F510-I514 WeakPolarHBondContact O-CD1 3.45Å; F510-I514 WeakPolarHBondContact O-CG1 3.5Å; F510-I514 PolarHBondContact O-N 3.18Å; I514-F516 PolarHBondContact O-N 2.94Å; I514-F516 VanDerWaalsContact O-N 3.08Å; I514-S517 WeakPolarHBondContact O-CB 3.25Å; I514-S517 PolarHBondContact O-N 3.34Å; I514-S517 PolarHBondContact O-OG 2.88Å; I514-S517 VanDerWaalsContact O-OG 3.1Å; I514-P643 HydrophobicContact CD1-CB 4.09Å; I514-P643 HydrophobicContact CD1-CG 4.33Å; I514-P643 VanDerWaalsContact CD1-O 3.26Å; I514-P643 WeakPolarHBondContact CD1-O 3.16Å
515	K	44.3	Very low	39.6	Very low	180 Å²	180	75.9 Å²	75.9	78%	0.783	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-14.6	167.7	-76.8	173	-179.2	161.6	0	114	L513	L513-K515 PolarHBondContact O-N 3.43Å
516	F	39.3	Very low	40.2	Very low	87 Å²	87	68.7 Å²	68.7	38%	0.382	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	10.3	174.6	-60.1	-86.5	0	0	0	113.3	A512 L513 I514 G518 N523 I527	A512-F516 VanDerWaalsContact O-CD2 3.32Å; A512-F516 WeakPolarHBondContact O-CD2 3.42Å; A512-F516 WeakPolarHBondContact O-CE2 3.46Å; L513-F516 WeakPolarHBondContact O-CA 3.34Å; L513-F516 WeakPolarHBondContact O-CB 3.45Å; L513-F516 PolarHBondContact O-N 3.2Å; I514-F516 PolarHBondContact O-N 2.94Å; I514-F516 VanDerWaalsContact O-N 3.08Å; F516-G518 PolarHBondContact O-N 2.98Å; F516-N523 HydrophobicContact CB-CB 4.06Å; F516-N523 HydrophobicContact CD1-CB 4.39Å; F516-N523 PolarHBondContact O-ND2 3.41Å; F516-I527 HydrophobicContact CG-CD1 4.36Å
517	S	35.2	Very low	40.9	Very low	77 Å²	77	67 Å²	67	54%	0.538	39%	0.386	S	S	.	.			trans	-77	37.2	-178.7	80.9	0	0	0	0	114.5	I514	I514-S517 WeakPolarHBondContact O-CB 3.25Å; I514-S517 PolarHBondContact O-N 3.34Å; I514-S517 PolarHBondContact O-OG 2.88Å; I514-S517 VanDerWaalsContact O-OG 3.1Å
518	G	36.5	Very low	41.4	Very low	51 Å²	51	65.1 Å²	65.1	53%	0.526	36%	0.359	S	S	.	.	S	Bend	trans	-110.7	111.1	158.7	0	0	0	0	0	107.7	F516 N523	F516-G518 PolarHBondContact O-N 2.98Å; G518-N523 PolarHBondContact O-ND2 3.35Å
519	D	41.3	Very low	41.2	Very low	112 Å²	112	70.7 Å²	70.7	60%	0.599	38%	0.376	S	S	*	.			trans	47.8	86.5	-171.5	-66.5	-15.1	0	0	0	115	S521 N522 N523	D519-S521 PolarHBondContact O-N 2.89Å; D519-S521 VanDerWaalsContact O-N 3.08Å; D519-N522 HydrophobicContact CB-CB 3.77Å; D519-N522 WeakPolarHBondContact CB-ND2 3.36Å; D519-N522 PolarHBondContact O-N 3.05Å; D519-N522 PolarHBondContact OD2-ND2 2.76Å; D519-N523 PolarHBondContact O-N 2.97Å
520	I	43.9	Very low	40.9	Very low	51 Å²	51	71 Å²	71	26%	0.262	38%	0.377	S	S	.	.	H	α-helix	trans	-43.5	-43.2	171.7	-72.7	170.5	0	0	0	112.2	N522 L524 L579 M582	I520-N522 PolarHBondContact O-N 3.06Å; I520-L524 PolarHBondContact O-N 3Å; I520-L579 HydrophobicContact CG2-CD1 4.01Å; I520-L579 HydrophobicContact CG2-CD2 3.97Å; I520-L579 HydrophobicContact CG2-CG 3.99Å; I520-M582 HydrophobicContact CD1-CE 3.82Å; I520-M582 HydrophobicContact CG1-CE 3.96Å
521	S	39	Very low	40.4	Very low	52 Å²	52	74 Å²	74	36%	0.364	39%	0.394	S	S	.	.	H	α-helix	trans	-73.9	-20.9	-179.6	-167.6	0	0	0	0	114.9	M413 D519	M413-S521 PolarHBondContact SD-OG 3.05Å; D519-S521 PolarHBondContact O-N 2.89Å; D519-S521 VanDerWaalsContact O-N 3.08Å
522	N	41.3	Very low	40.1	Very low	90 Å²	90	73.9 Å²	73.9	48%	0.481	40%	0.399	S	S	.	.	H	α-helix	trans	-88.7	-35.3	176.8	-74.8	-38.5	0	0	0	111	D519 I520 K525	D519-N522 HydrophobicContact CB-CB 3.77Å; D519-N522 WeakPolarHBondContact CB-ND2 3.36Å; D519-N522 PolarHBondContact O-N 3.05Å; D519-N522 PolarHBondContact OD2-ND2 2.76Å; I520-N522 PolarHBondContact O-N 3.06Å; N522-K525 WeakPolarHBondContact O-CB 3.48Å; N522-K525 PolarHBondContact O-N 3.37Å
523	N	43.5	Very low	39.4	Very low	39 Å²	39	78.1 Å²	78.1	21%	0.209	42%	0.415	C	S	.	.	H	α-helix	trans	-78.2	-18.8	178.7	-82.9	-43.6	0	0	0	115.1	F516 G518 D519 K525 S526 I527	F516-N523 HydrophobicContact CB-CB 4.06Å; F516-N523 HydrophobicContact CD1-CB 4.39Å; F516-N523 PolarHBondContact O-ND2 3.41Å; G518-N523 PolarHBondContact O-ND2 3.35Å; D519-N523 PolarHBondContact O-N 2.97Å; N523-K525 PolarHBondContact O-N 3.23Å; N523-S526 WeakPolarHBondContact CA-OG 3.44Å; N523-S526 PolarHBondContact O-N 3.37Å; N523-S526 VanDerWaalsContact O-N 3.15Å; N523-S526 PolarHBondContact O-OG 3.45Å; N523-S526 PolarHBondContact OD1-OG 2.99Å; N523-I527 WeakPolarHBondContact O-CG1 3.41Å; N523-I527 PolarHBondContact O-N 2.99Å
524	L	40.6	Very low	39	Very low	52 Å²	52	82.1 Å²	82.1	27%	0.272	44%	0.443	S	S	.	.	H	α-helix	trans	-54.1	-43.5	164.5	-114.2	175.3	0	0	0	111.6	I520 S526 L528 L579	I520-L524 PolarHBondContact O-N 3Å; L524-S526 VanDerWaalsContact C-N 3.34Å; L524-S526 PolarHBondContact O-N 3.22Å; L524-L528 HydrophobicContact CD2-CD1 3.86Å; L524-L528 HydrophobicContact CD2-CG 4.34Å; L524-L528 WeakPolarHBondContact O-CB 3.46Å; L524-L528 WeakPolarHBondContact O-CG 3.35Å; L524-L528 PolarHBondContact O-N 2.69Å; L524-L528 VanDerWaalsContact O-N 3.12Å; L524-L579 HydrophobicContact CD1-CD2 3.38Å; L524-L579 HydrophobicContact CD2-CD2 4.36Å; L524-L579 HydrophobicContact CG-CD2 3.59Å
525	K	41.7	Very low	38	Very low	87 Å²	87	84.8 Å²	84.8	38%	0.378	47%	0.466	S	S	.	.	H	α-helix	trans	-69.8	-27.3	178.7	-62.2	-178.9	177.5	179.7	0	113	N522 N523 R529	N522-K525 WeakPolarHBondContact O-CB 3.48Å; N522-K525 PolarHBondContact O-N 3.37Å; N523-K525 PolarHBondContact O-N 3.23Å; K525-R529 WeakPolarHBondContact O-CB 3.49Å; K525-R529 PolarHBondContact O-N 2.79Å
526	S	42.6	Very low	37.3	Very low	36 Å²	36	83.9 Å²	83.9	25%	0.252	47%	0.47	S	S	.	.	H	α-helix	trans	-81.2	-42.5	177.2	69.6	0	0	0	0	111.8	N523 L524 N530	N523-S526 WeakPolarHBondContact CA-OG 3.44Å; N523-S526 PolarHBondContact O-N 3.37Å; N523-S526 VanDerWaalsContact O-N 3.15Å; N523-S526 PolarHBondContact O-OG 3.45Å; N523-S526 PolarHBondContact OD1-OG 2.99Å; L524-S526 VanDerWaalsContact C-N 3.34Å; L524-S526 PolarHBondContact O-N 3.22Å; S526-N530 WeakPolarHBondContact O-CB 3.39Å; S526-N530 PolarHBondContact O-N 2.98Å; S526-N530 PolarHBondContact O-ND2 3.08Å
527	I	40.5	Very low	36.7	Very low	33 Å²	33	87.2 Å²	87.2	17%	0.169	49%	0.492	C	S	.	.	H	α-helix	trans	-64	-50.7	178.9	-66.8	166.8	0	0	0	110.8	F516 N523 R529 N530 V575	F516-I527 HydrophobicContact CG-CD1 4.36Å; N523-I527 WeakPolarHBondContact O-CG1 3.41Å; N523-I527 PolarHBondContact O-N 2.99Å; I527-R529 PolarHBondContact O-N 3.38Å; I527-N530 PolarHBondContact O-N 3.18Å; I527-V575 HydrophobicContact CG2-CG1 4.34Å
528	L	39.7	Very low	36.5	Very low	30 Å²	30	90.6 Å²	90.6	16%	0.157	50%	0.503	C	S	.	.	H	α-helix	trans	-62.6	-41.4	179.4	-70.9	169.2	0	0	0	112.1	L403 L524 N530 N531 S532	L403-L528 HydrophobicContact CD1-CB 3.71Å; L403-L528 HydrophobicContact CD1-CD1 3.85Å; L403-L528 HydrophobicContact CD1-CG 4.3Å; L403-L528 HydrophobicContact CD2-CB 4.01Å; L524-L528 HydrophobicContact CD2-CD1 3.86Å; L524-L528 HydrophobicContact CD2-CG 4.34Å; L524-L528 WeakPolarHBondContact O-CB 3.46Å; L524-L528 WeakPolarHBondContact O-CG 3.35Å; L524-L528 PolarHBondContact O-N 2.69Å; L524-L528 VanDerWaalsContact O-N 3.12Å; L528-N530 PolarHBondContact O-N 3.27Å; L528-N531 PolarHBondContact O-N 3.15Å; L528-S532 PolarHBondContact O-OG 3.18Å
529	R	40.3	Very low	36.1	Very low	188 Å²	188	94.8 Å²	94.8	71%	0.709	51%	0.513	S	S	*	.	H	α-helix	trans	-69	-29.7	-179.1	-171.7	177	-169.2	170.3	6.6	113.5	K525 I527	K525-R529 WeakPolarHBondContact O-CB 3.49Å; K525-R529 PolarHBondContact O-N 2.79Å; I527-R529 PolarHBondContact O-N 3.38Å
530	N	37.1	Very low	35.7	Very low	115 Å²	115	95 Å²	95	62%	0.615	52%	0.524	S	S	*	.	H	α-helix	trans	-73.9	-26.5	179	-74.6	-16.9	0	0	0	112.9	S526 I527 L528 S532	S526-N530 WeakPolarHBondContact O-CB 3.39Å; S526-N530 PolarHBondContact O-N 2.98Å; S526-N530 PolarHBondContact O-ND2 3.08Å; I527-N530 PolarHBondContact O-N 3.18Å; L528-N530 PolarHBondContact O-N 3.27Å; N530-S532 VanDerWaalsContact C-N 3.26Å; N530-S532 PolarHBondContact O-N 3.28Å
531	N	35.6	Very low	35	Very low	80 Å²	80	95.6 Å²	95.6	43%	0.428	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-2.4	179.5	-71.9	-8.4	0	0	0	114	L528 N572	L528-N531 PolarHBondContact O-N 3.15Å; N531-N572 PolarHBondContact ND2-OD1 2.84Å
532	S	32.7	Very low	34.7	Very low	69 Å²	69	100.3 Å²	100.3	48%	0.483	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.7	6.3	-171.8	-55.9	0	0	0	0	115.8	L528 N530 P534	L528-S532 PolarHBondContact O-OG 3.18Å; N530-S532 VanDerWaalsContact C-N 3.26Å; N530-S532 PolarHBondContact O-N 3.28Å; S532-P534 VanDerWaalsContact C-CD 3.44Å; S532-P534 WeakPolarHBondContact O-CD 3.36Å
533	N	28.8	Very low	34.3	Very low	135 Å²	135	104.9 Å²	104.9	72%	0.722	58%	0.581	S	S	*	*			trans	-110.6	81.5	-173.8	-88.3	-22	0	0	0	114.6
534	P	29.1	Very low	33.4	Very low	108 Å²	108	108.3 Å²	108.3	70%	0.701	61%	0.607	S	S	*	*			trans	-83.5	127	152	32.9	-27.1	0	0	0	110.1	S532	S532-P534 VanDerWaalsContact C-CD 3.44Å; S532-P534 WeakPolarHBondContact O-CD 3.36Å
535	S	25.8	Very low	33.1	Very low	109 Å²	109	111 Å²	111	76%	0.762	63%	0.628	S	S	*	*			trans	76.8	105.8	175	-29.6	0	0	0	0	116.7
536	N	29.2	Very low	32.3	Very low	161 Å²	161	112.3 Å²	112.3	86%	0.861	64%	0.643	S	S	*	*			trans	-166.7	56.7	142.2	-102.8	-31.2	0	0	0	111.6
537	D	26.5	Very low	31.8	Very low	157 Å²	157	116.4 Å²	116.4	84%	0.84	67%	0.667	S	S	*	*			trans	-106	149.9	154.4	-99.1	-52.1	0	0	0	108
538	L	30	Very low	31.1	Very low	148 Å²	148	121.2 Å²	121.2	78%	0.775	69%	0.693	S	S	*	*			trans	85.6	129.3	-159.4	-55.8	166.5	0	0	0	112.8
539	N	29.8	Very low	30.8	Very low	139 Å²	139	126.6 Å²	126.6	74%	0.743	72%	0.722	S	S	*	*			cis	-159.2	170.5	2.4	-148.8	-18.2	0	0	0	114
540	S	32.1	Very low	30.4	Very low	116 Å²	116	125.3 Å²	125.3	81%	0.811	72%	0.723	S	S	*	*			trans	79.4	130.3	163.5	77.1	0	0	0	0	118.5
541	G	29.4	Very low	29.8	Very low	63 Å²	63	125.3 Å²	125.3	65%	0.649	73%	0.728	S	S	*	*			cis	157.8	158.1	-14.2	0	0	0	0	0	114.6
542	N	33.3	Very low	29.5	Very low	152 Å²	152	126.1 Å²	126.1	81%	0.813	74%	0.74	S	S	*	*			trans	174.7	95.4	143.7	-93.3	-30.1	0	0	0	112.7
543	H	32	Very low	29.1	Very low	186 Å²	186	129.2 Å²	129.2	86%	0.861	75%	0.751	S	S	*	*				162.8	134.1	117.9	-91.6	-69	0	0	0	113.3
544	C	24.9	Very low	29.2	Very low	110 Å²	110	129.2 Å²	129.2	74%	0.743	76%	0.756	S	S	*	*			trans	-102.4	175	165.2	-120.2	0	0	0	0	108.6
545	P	34	Very low	29.1	Very low	109 Å²	109	130.2 Å²	130.2	71%	0.708	76%	0.76	S	S	*	*			cis	-143.7	154.8	27.5	42.1	-22.4	0	0	0	119.6
546	T	24.5	Very low	29.1	Very low	114 Å²	114	131.1 Å²	131.1	70%	0.699	76%	0.76	S	S	*	*			trans	22.8	133.8	142	63.7	0	0	0	0	122.8
547	T	32.6	Very low	29.1	Very low	122 Å²	122	133.2 Å²	133.2	75%	0.748	76%	0.762	S	S	*	*				-170.6	123	108.9	34.4	0	0	0	0	112.4
548	D	25.3	Very low	29	Very low	134 Å²	134	130.8 Å²	130.8	72%	0.717	76%	0.757	S	S	*	*			trans	28.9	129.1	139.7	-38.9	-35	0	0	0	122.6
549	N	32.9	Very low	28.8	Very low	144 Å²	144	131.4 Å²	131.4	77%	0.77	76%	0.761	S	S	*	*				177.1	131.6	105.7	-91	-58.7	0	0	0	116.1
550	H	32	Very low	28.8	Very low	160 Å²	160	130.3 Å²	130.3	74%	0.741	76%	0.762	S	S	*	*			trans	39.8	109.1	145	-74.1	-67.9	0	0	0	125.4
551	T	25.6	Very low	28.3	Very low	116 Å²	116	133 Å²	133	71%	0.712	76%	0.759	S	S	*	*				24.2	124	117.9	55.1	0	0	0	0	121.6
552	S	28.6	Very low	28.3	Very low	97 Å²	97	136.5 Å²	136.5	68%	0.678	77%	0.768	S	S	*	*				174.9	133.5	102.3	-104.3	0	0	0	0	116.4
553	D	24.7	Very low	27.9	Very low	134 Å²	134	134.9 Å²	134.9	72%	0.717	76%	0.764	S	S	*	*			trans	41.6	117.5	136.3	-46	-57.5	0	0	0	123.8
554	T	30.6	Very low	27.5	Very low	135 Å²	135	129.5 Å²	129.5	83%	0.828	75%	0.751	S	S	*	*				168.3	112.7	117.1	31.9	0	0	0	0	111.1
555	V	28	Very low	27.6	Very low	129 Å²	129	129.8 Å²	129.8	78%	0.782	75%	0.754	S	S	*	*				90.3	101.5	83.4	166.9	0	0	0	0	115.4
556	V	25.9	Very low	27.4	Very low	127 Å²	127	133.5 Å²	133.5	77%	0.77	76%	0.759	S	S	*	*			trans	59.4	107.2	143.4	-175.8	0	0	0	0	120.2
557	K	29.6	Very low	27.7	Very low	205 Å²	205	133.2 Å²	133.2	89%	0.891	75%	0.754	S	S	*	*				-153.1	158.8	98.9	-104.5	-166.5	177.1	-168.1	0	111.1
558	S	23.5	Very low	27.9	Very low	107 Å²	107	130.6 Å²	130.6	75%	0.748	74%	0.74	S	S	*	*			trans	-138.3	134.3	-171.9	53.8	0	0	0	0	111
559	D	26.1	Very low	28.5	Very low	160 Å²	160	129.8 Å²	129.8	86%	0.856	74%	0.736	S	S	*	*			trans	-128.4	146.6	164.7	-75.9	-60.1	0	0	0	109
560	P	29.2	Very low	28.9	Very low	116 Å²	116	128.1 Å²	128.1	75%	0.753	73%	0.727	S	S	*	*			trans	-97.8	179.8	-170.4	38.7	-37.1	0	0	0	114.5
561	F	22.3	Very low	29.7	Very low	173 Å²	173	125.2 Å²	125.2	76%	0.759	72%	0.717	S	S	*	*			trans	81.6	85.1	154.4	-130.8	-81	0	0	0	119.1	T563	F561-T563 HydrophobicContact CE1-CG2 4.37Å
562	V	28.8	Very low	30.8	Very low	136 Å²	136	121.2 Å²	121.2	82%	0.824	69%	0.691	S	S	*	*			trans	-135.9	99.1	150.4	-179.8	0	0	0	0	109.7	A564	V562-A564 HydrophobicContact CG1-CB 3.82Å; V562-A564 PolarHBondContact O-N 2.91Å
563	T	24	Very low	32.2	Very low	119 Å²	119	118 Å²	118	73%	0.73	67%	0.666	S	S	*	*			trans	-95	59.9	174.1	47.3	0	0	0	0	111.4	F561 S565	F561-T563 HydrophobicContact CE1-CG2 4.37Å; T563-S565 PolarHBondContact O-N 3.47Å; T563-S565 VanDerWaalsContact O-N 3.1Å
564	A	25.1	Very low	34.4	Very low	72 Å²	72	114 Å²	114	60%	0.595	65%	0.647	S	S	*	*			trans	-79.1	87.8	-178	0	0	0	0	0	112	V562	V562-A564 HydrophobicContact CG1-CB 3.82Å; V562-A564 PolarHBondContact O-N 2.91Å
565	S	26.7	Very low	36.7	Very low	116 Å²	116	108.8 Å²	108.8	81%	0.811	61%	0.614	S	S	*	*			trans	-161.5	75	167.1	-80.6	0	0	0	0	112.1	T563	T563-S565 PolarHBondContact O-N 3.47Å; T563-S565 VanDerWaalsContact O-N 3.1Å
566	K	30.3	Very low	39.2	Very low	188 Å²	188	103.1 Å²	103.1	82%	0.817	58%	0.58	S	S	*	*	S	Bend	trans	-153	-19.6	164.6	-121.6	174	-177.4	-178.8	0	115.8	S568	K566-S568 PolarHBondContact O-N 3.45Å
567	D	29.6	Very low	42	Very low	108 Å²	108	99.4 Å²	99.4	58%	0.578	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-15.9	-161.7	-46.6	-73.4	0	0	0	115.5	N569 N570 N571	D567-N569 PolarHBondContact O-N 3.13Å; D567-N570 PolarHBondContact O-N 2.76Å; D567-N571 PolarHBondContact O-N 3.16Å
568	S	37.8	Very low	44.5	Very low	66 Å²	66	92.7 Å²	92.7	46%	0.462	53%	0.526	S	S	.	.	H	α-helix	trans	-61	-41.8	-173.4	-160.6	0	0	0	0	113.5	K566 N570 N571	K566-S568 PolarHBondContact O-N 3.45Å; S568-N570 PolarHBondContact O-N 3.23Å; S568-N571 PolarHBondContact O-N 3.27Å
569	N	37.6	Very low	47.5	Very low	118 Å²	118	88.9 Å²	88.9	63%	0.631	50%	0.497	S	S	*	.	H	α-helix	trans	-66.7	-37.6	178.9	-75.6	24.8	0	0	0	112	D567 N571 N572 N573	D567-N569 PolarHBondContact O-N 3.13Å; N569-N571 VanDerWaalsContact C-N 3.28Å; N569-N571 PolarHBondContact O-N 3.13Å; N569-N572 PolarHBondContact O-N 2.9Å; N569-N573 VanDerWaalsContact O-CG 3.3Å; N569-N573 PolarHBondContact O-N 3.38Å; N569-N573 VanDerWaalsContact O-N 3.09Å; N569-N573 PolarHBondContact O-OD1 2.84Å; N569-N573 VanDerWaalsContact O-OD1 3.05Å
570	N	40.1	Very low	50.5	Low	109 Å²	109	81.8 Å²	81.8	58%	0.583	46%	0.459	S	S	*	.	H	α-helix	trans	-63.2	-38	-177	-158.5	20.2	0	0	0	111.1	D567 S568 N573 T574	D567-N570 PolarHBondContact O-N 2.76Å; S568-N570 PolarHBondContact O-N 3.23Å; N570-N573 PolarHBondContact O-N 3.01Å; N570-T574 WeakPolarHBondContact O-CG2 3.39Å; N570-T574 PolarHBondContact O-N 3.42Å; N570-T574 VanDerWaalsContact O-N 3.17Å
571	N	49	Very low	53.4	Low	98 Å²	98	76.8 Å²	76.8	52%	0.524	43%	0.426	S	S	.	.	H	α-helix	trans	-60	-52.8	175.4	-72.9	-23.7	0	0	0	112.2	D567 S568 N569 N573 T574 V575	D567-N571 PolarHBondContact O-N 3.16Å; S568-N571 PolarHBondContact O-N 3.27Å; N569-N571 VanDerWaalsContact C-N 3.28Å; N569-N571 PolarHBondContact O-N 3.13Å; N571-N573 VanDerWaalsContact C-N 3.31Å; N571-N573 PolarHBondContact O-N 3.39Å; N571-T574 PolarHBondContact O-N 3.3Å; N571-T574 PolarHBondContact O-OG1 2.91Å; N571-V575 WeakPolarHBondContact O-CG2 3.42Å; N571-V575 PolarHBondContact O-N 2.95Å
572	N	49.5	Very low	56.5	Low	32 Å²	32	69.1 Å²	69.1	17%	0.171	39%	0.393	C	S	.	.	H	α-helix	trans	-58.4	-43.3	-180	-71.5	-9.9	0	0	0	111.8	N531 N569 T574 V575 I576	N531-N572 PolarHBondContact ND2-OD1 2.84Å; N569-N572 PolarHBondContact O-N 2.9Å; N572-T574 VanDerWaalsContact C-N 3.34Å; N572-T574 PolarHBondContact O-N 3.44Å; N572-V575 WeakPolarHBondContact O-CB 3.49Å; N572-V575 PolarHBondContact O-N 2.67Å; N572-I576 PolarHBondContact O-N 2.83Å
573	N	56.9	Low	59.4	Low	31 Å²	31	66 Å²	66	17%	0.166	37%	0.368	C	S	.	.	H	α-helix	trans	-58.3	-44.2	178.2	-71.8	23.6	0	0	0	111.4	V397 N569 N570 N571 V575	V397-N573 HydrophobicContact CG1-CB 3.94Å; V397-N573 PolarHBondContact O-ND2 3.14Å; V397-N573 PolarHBondContact O-OD1 3.35Å; N569-N573 VanDerWaalsContact O-CG 3.3Å; N569-N573 PolarHBondContact O-N 3.38Å; N569-N573 VanDerWaalsContact O-N 3.09Å; N569-N573 PolarHBondContact O-OD1 2.84Å; N569-N573 VanDerWaalsContact O-OD1 3.05Å; N570-N573 PolarHBondContact O-N 3.01Å; N571-N573 VanDerWaalsContact C-N 3.31Å; N571-N573 PolarHBondContact O-N 3.39Å; N573-V575 VanDerWaalsContact C-N 3.3Å; N573-V575 PolarHBondContact O-N 3.41Å
574	T	71.9	Confident	62.6	Low	50 Å²	50	60.3 Å²	60.3	31%	0.307	33%	0.333	S	S	.	.	H	α-helix	trans	-69.3	-23.1	175.6	71.9	0	0	0	0	114.3	N570 N571 N572 K578	N570-T574 WeakPolarHBondContact O-CG2 3.39Å; N570-T574 PolarHBondContact O-N 3.42Å; N570-T574 VanDerWaalsContact O-N 3.17Å; N571-T574 PolarHBondContact O-N 3.3Å; N571-T574 PolarHBondContact O-OG1 2.91Å; N572-T574 VanDerWaalsContact C-N 3.34Å; N572-T574 PolarHBondContact O-N 3.44Å; T574-K578 WeakPolarHBondContact O-CB 3.14Å; T574-K578 WeakPolarHBondContact O-CD 3.32Å; T574-K578 WeakPolarHBondContact O-CG 3.47Å; T574-K578 PolarHBondContact O-N 3.33Å; T574-K578 VanDerWaalsContact O-N 3.15Å; T574-K578 PolarHBondContact OG1-NZ 3.17Å
575	V	78.4	Confident	65.8	Low	24 Å²	24	56.9 Å²	56.9	15%	0.145	31%	0.305	C	S	.	.	H	α-helix	trans	-71.3	-36.8	-179.8	168.8	0	0	0	0	111.3	I527 N571 N572 N573 L579	I527-V575 HydrophobicContact CG2-CG1 4.34Å; N571-V575 WeakPolarHBondContact O-CG2 3.42Å; N571-V575 PolarHBondContact O-N 2.95Å; N572-V575 WeakPolarHBondContact O-CB 3.49Å; N572-V575 PolarHBondContact O-N 2.67Å; N573-V575 VanDerWaalsContact C-N 3.3Å; N573-V575 PolarHBondContact O-N 3.41Å; V575-L579 WeakPolarHBondContact O-CB 3.38Å; V575-L579 PolarHBondContact O-N 3.23Å
576	I	81.1	Confident	68.7	Low	10 Å²	10	54.5 Å²	54.5	5%	0.051	28%	0.281	C	S	.	.	H	α-helix	trans	-62	-51.9	177.9	-64.5	174.6	0	0	0	110.4	L396 P400 N572 K578 L579 H580	L396-I576 HydrophobicContact CB-CG2 4.04Å; P400-I576 HydrophobicContact CB-CD1 3.82Å; N572-I576 PolarHBondContact O-N 2.83Å; I576-K578 PolarHBondContact O-N 2.98Å; I576-L579 WeakPolarHBondContact O-CB 3.45Å; I576-L579 PolarHBondContact O-N 2.96Å; I576-L579 VanDerWaalsContact O-N 3.16Å; I576-H580 PolarHBondContact O-CD2 3.34Å; I576-H580 PolarHBondContact O-N 3.23Å; I576-H580 VanDerWaalsContact O-N 3.09Å
577	D	83.6	Confident	71.7	Confident	49 Å²	49	46.4 Å²	46.4	26%	0.262	25%	0.246	S	C	.	.	H	α-helix	trans	-60.3	-47	178.4	-175.4	53	0	0	0	112.3	R393 V397 L579 H580 I581	R393-D577 WeakPolarHBondContact CD-OD1 3.46Å; V397-D577 HydrophobicContact CG2-CB 3.73Å; D577-L579 PolarHBondContact O-N 3.34Å; D577-H580 PolarHBondContact O-N 3.19Å; D577-I581 WeakPolarHBondContact O-CB 3.35Å; D577-I581 WeakPolarHBondContact O-CG1 3.44Å; D577-I581 PolarHBondContact O-N 2.95Å; D577-I581 VanDerWaalsContact OD2-CD1 3.26Å; D577-I581 WeakPolarHBondContact OD2-CD1 3.42Å
578	K	83.9	Confident	74.8	Confident	64 Å²	64	41.2 Å²	41.2	28%	0.278	22%	0.219	S	C	.	.	H	α-helix	trans	-56	-36.5	175.3	-74.4	165.2	-169.5	161	0	112.5	L508 T574 I576 M582	L508-K578 HydrophobicContact CD2-CD 4.35Å; L508-K578 HydrophobicContact CD2-CG 4Å; T574-K578 WeakPolarHBondContact O-CB 3.14Å; T574-K578 WeakPolarHBondContact O-CD 3.32Å; T574-K578 WeakPolarHBondContact O-CG 3.47Å; T574-K578 PolarHBondContact O-N 3.33Å; T574-K578 VanDerWaalsContact O-N 3.15Å; T574-K578 PolarHBondContact OG1-NZ 3.17Å; I576-K578 PolarHBondContact O-N 2.98Å; K578-M582 VanDerWaalsContact O-CB 3.31Å; K578-M582 WeakPolarHBondContact O-CB 3.49Å; K578-M582 PolarHBondContact O-N 3.45Å
579	L	85.4	Confident	77.4	Confident	27 Å²	27	38.2 Å²	38.2	14%	0.141	20%	0.198	C	C	.	.	H	α-helix	trans	-71.5	-43.8	179.2	-156.5	79.2	0	0	0	112.1	L513 I520 L524 V575 I576 D577 M582 K583	L513-L579 HydrophobicContact CD2-CD1 4.26Å; I520-L579 HydrophobicContact CG2-CD1 4.01Å; I520-L579 HydrophobicContact CG2-CD2 3.97Å; I520-L579 HydrophobicContact CG2-CG 3.99Å; L524-L579 HydrophobicContact CD1-CD2 3.38Å; L524-L579 HydrophobicContact CD2-CD2 4.36Å; L524-L579 HydrophobicContact CG-CD2 3.59Å; V575-L579 WeakPolarHBondContact O-CB 3.38Å; V575-L579 PolarHBondContact O-N 3.23Å; I576-L579 WeakPolarHBondContact O-CB 3.45Å; I576-L579 PolarHBondContact O-N 2.96Å; I576-L579 VanDerWaalsContact O-N 3.16Å; D577-L579 PolarHBondContact O-N 3.34Å; L579-M582 HydrophobicContact CD1-CE 4.31Å; L579-M582 PolarHBondContact O-N 3.34Å; L579-K583 WeakPolarHBondContact O-CB 3.46Å; L579-K583 PolarHBondContact O-N 3.04Å
580	H	89.7	Confident	80	Confident	12 Å²	12	36.6 Å²	36.6	6%	0.056	19%	0.185	C	C	.	.	H	α-helix	trans	-63.1	-46.1	174.8	-86.1	-76.5	0	0	0	111.5	L451 E455 I576 D577 M582 K583 A584	L451-H580 HydrophobicContact CD2-CB 4.42Å; L451-H580 WeakPolarHBondContact CD2-ND1 3.45Å; E455-H580 IonicContact OE1-ND1 3.37Å; E455-H580 IonicContact OE2-CE1 3.3Å; E455-H580 IonicContact OE2-CG 2.87Å; E455-H580 IonicContact OE2-ND1 3.02Å; E455-H580 PolarHBondContact OE2-ND1 3.41Å; I576-H580 PolarHBondContact O-CD2 3.34Å; I576-H580 PolarHBondContact O-N 3.23Å; I576-H580 VanDerWaalsContact O-N 3.09Å; D577-H580 PolarHBondContact O-N 3.19Å; H580-M582 VanDerWaalsContact C-N 3.33Å; H580-M582 PolarHBondContact O-N 3.33Å; H580-K583 PolarHBondContact O-N 3.48Å; H580-A584 VanDerWaalsContact O-CB 3.28Å; H580-A584 WeakPolarHBondContact O-CB 3.48Å; H580-A584 PolarHBondContact O-N 3.37Å
581	I	89.9	Confident	82.5	Confident	10 Å²	10	32 Å²	32	5%	0.051	16%	0.161	C	C	.	.	H	α-helix	trans	-59.1	-41.3	172.4	-68.7	169.8	0	0	0	111.4	L508 F510 D577 S585	L508-I581 HydrophobicContact CD1-CG2 4.45Å; F510-I581 HydrophobicContact CZ-CG2 4.29Å; D577-I581 WeakPolarHBondContact O-CB 3.35Å; D577-I581 WeakPolarHBondContact O-CG1 3.44Å; D577-I581 PolarHBondContact O-N 2.95Å; D577-I581 VanDerWaalsContact OD2-CD1 3.26Å; D577-I581 WeakPolarHBondContact OD2-CD1 3.42Å; I581-S585 WeakPolarHBondContact O-CB 3.38Å; I581-S585 PolarHBondContact O-N 3.42Å; I581-S585 PolarHBondContact O-OG 3.46Å
582	M	87	Confident	84.7	Confident	12 Å²	12	27.3 Å²	27.3	6%	0.059	14%	0.136	C	C	.	.	H	α-helix	trans	-65.5	-44.9	177.3	-165.3	174.1	69.6	0	0	112.1	F510 L513 I520 K578 L579 H580 S585 E586	F510-M582 HydrophobicContact CD1-CG 4.26Å; F510-M582 HydrophobicContact CD1-SD 4.23Å; F510-M582 HydrophobicContact CE1-CB 3.93Å; F510-M582 HydrophobicContact CE1-CG 4.05Å; L513-M582 HydrophobicContact CB-SD 4.49Å; L513-M582 HydrophobicContact CD2-CE 4.03Å; L513-M582 HydrophobicContact CD2-SD 3.82Å; I520-M582 HydrophobicContact CD1-CE 3.82Å; I520-M582 HydrophobicContact CG1-CE 3.96Å; K578-M582 VanDerWaalsContact O-CB 3.31Å; K578-M582 WeakPolarHBondContact O-CB 3.49Å; K578-M582 PolarHBondContact O-N 3.45Å; L579-M582 HydrophobicContact CD1-CE 4.31Å; L579-M582 PolarHBondContact O-N 3.34Å; H580-M582 VanDerWaalsContact C-N 3.33Å; H580-M582 PolarHBondContact O-N 3.33Å; M582-S585 WeakPolarHBondContact O-CB 3.23Å; M582-S585 PolarHBondContact O-N 3.31Å; M582-E586 PolarHBondContact O-N 3.07Å
583	K	88.9	Confident	86.7	Confident	70 Å²	70	28 Å²	28	30%	0.304	14%	0.139	S	C	.	.	H	α-helix	trans	-62.6	-47.8	177.5	179.8	-176.9	179.8	178	0	111.5	N452 L579 H580 S585 E586 N587	N452-K583 PolarHBondContact OD1-NZ 3.19Å; L579-K583 WeakPolarHBondContact O-CB 3.46Å; L579-K583 PolarHBondContact O-N 3.04Å; H580-K583 PolarHBondContact O-N 3.48Å; K583-S585 VanDerWaalsContact C-N 3.3Å; K583-S585 PolarHBondContact O-N 3.04Å; K583-E586 PolarHBondContact O-N 3.44Å; K583-N587 WeakPolarHBondContact O-CB 3.24Å; K583-N587 VanDerWaalsContact O-CG 3.3Å; K583-N587 PolarHBondContact O-N 3.01Å
584	A	92.8	Very high	88.5	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63	-37.7	176.5	0	0	0	0	0	111.8	E455 M460 L488 H580 L588	E455-A584 HydrophobicContact CB-CB 4.11Å; E455-A584 HydrophobicContact CG-CB 3.88Å; M460-A584 HydrophobicContact CE-CB 3.94Å; M460-A584 WeakPolarHBondContact CE-O 3.16Å; L488-A584 VanDerWaalsContact O-CB 3.26Å; L488-A584 WeakPolarHBondContact O-CB 3.3Å; H580-A584 VanDerWaalsContact O-CB 3.28Å; H580-A584 WeakPolarHBondContact O-CB 3.48Å; H580-A584 PolarHBondContact O-N 3.37Å; A584-L588 VanDerWaalsContact O-CB 3.24Å; A584-L588 WeakPolarHBondContact O-CB 3.43Å; A584-L588 PolarHBondContact O-N 2.87Å
585	S	91.3	Very high	89.5	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.007	15%	0.149	C	C	.	.	H	α-helix	trans	-63.3	-45.3	173.5	-67.9	0	0	0	0	112.6	I581 M582 K583 L588 I589	I581-S585 WeakPolarHBondContact O-CB 3.38Å; I581-S585 PolarHBondContact O-N 3.42Å; I581-S585 PolarHBondContact O-OG 3.46Å; M582-S585 WeakPolarHBondContact O-CB 3.23Å; M582-S585 PolarHBondContact O-N 3.31Å; K583-S585 VanDerWaalsContact C-N 3.3Å; K583-S585 PolarHBondContact O-N 3.04Å; S585-L588 PolarHBondContact O-N 3.28Å; S585-I589 VanDerWaalsContact O-CG1 3.31Å; S585-I589 WeakPolarHBondContact O-CG1 3.46Å; S585-I589 PolarHBondContact O-N 2.88Å
586	E	89	Confident	90.3	Very high	66 Å²	66	28.6 Å²	28.6	31%	0.308	14%	0.143	S	C	.	.	H	α-helix	trans	-62.2	-48.4	177.7	-164	-165.2	135.3	0	0	110.9	M582 K583 L588 I589 K590 I644	M582-E586 PolarHBondContact O-N 3.07Å; K583-E586 PolarHBondContact O-N 3.44Å; E586-L588 PolarHBondContact O-N 3.14Å; E586-I589 PolarHBondContact O-N 3.34Å; E586-K590 WeakPolarHBondContact O-CG 3.39Å; E586-K590 PolarHBondContact O-N 2.96Å; E586-K590 WeakPolarHBondContact OE1-CE 3.46Å; E586-K590 IonicContact OE1-NZ 3.86Å; E586-K590 PolarHBondContact OE1-NZ 2.96Å; E586-I644 HydrophobicContact CB-CD1 4.07Å
587	N	93.1	Very high	90.9	Very high	17 Å²	17	32.7 Å²	32.7	9%	0.091	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-40.5	178.3	-69.2	-4.5	0	0	0	111.9	E455 E457 M460 K583 K590 T591	E455-N587 PolarHBondContact O-ND2 2.75Å; E457-N587 HydrophobicContact CG-CB 3.76Å; E457-N587 PolarHBondContact OE1-OD1 3.09Å; M460-N587 HydrophobicContact CE-CB 4.27Å; M460-N587 VanDerWaalsContact SD-C 3.57Å; M460-N587 HydrophobicContact SD-CB 3.59Å; M460-N587 VanDerWaalsContact SD-CB 3.59Å; K583-N587 WeakPolarHBondContact O-CB 3.24Å; K583-N587 VanDerWaalsContact O-CG 3.3Å; K583-N587 PolarHBondContact O-N 3.01Å; N587-K590 PolarHBondContact O-N 3.44Å; N587-K590 PolarHBondContact OD1-NZ 3.45Å; N587-T591 WeakPolarHBondContact O-CB 3.46Å; N587-T591 WeakPolarHBondContact O-CG2 3.41Å; N587-T591 PolarHBondContact O-N 2.91Å; N587-T591 PolarHBondContact O-OG1 3.21Å
588	L	94.7	Very high	91.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-70.7	-35	180	-170	61.5	0	0	0	111.9	M460 C485 I489 A584 S585 E586 T591 S592 L639	M460-L588 HydrophobicContact CB-CD1 3.96Å; M460-L588 HydrophobicContact CE-CB 4.26Å; M460-L588 HydrophobicContact CG-CD1 3.95Å; M460-L588 VanDerWaalsContact SD-CA 3.56Å; M460-L588 HydrophobicContact SD-CB 3.73Å; M460-L588 HydrophobicContact SD-CD1 4.14Å; M460-L588 PolarHBondContact SD-N 3.43Å; C485-L588 HydrophobicContact CB-CD2 3.93Å; I489-L588 HydrophobicContact CG2-CB 4.32Å; I489-L588 HydrophobicContact CG2-CD2 3.64Å; A584-L588 VanDerWaalsContact O-CB 3.24Å; A584-L588 WeakPolarHBondContact O-CB 3.43Å; A584-L588 PolarHBondContact O-N 2.87Å; S585-L588 PolarHBondContact O-N 3.28Å; E586-L588 PolarHBondContact O-N 3.14Å; L588-T591 WeakPolarHBondContact CA-OG1 2.99Å; L588-T591 PolarHBondContact O-OG1 3.24Å; L588-S592 WeakPolarHBondContact O-CB 3.2Å; L588-S592 PolarHBondContact O-N 3.01Å; L588-S592 PolarHBondContact O-OG 3.25Å; L588-L639 HydrophobicContact CB-CD2 4.34Å; L588-L639 HydrophobicContact CD2-CD2 3.75Å; L588-L639 HydrophobicContact CG-CD2 3.83Å
589	I	92.4	Very high	91.8	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.015	16%	0.158	C	C	.	.	H	α-helix	trans	-70.4	-44.7	174.7	-62	166.3	0	0	0	110.9	S585 E586 T591 S592 L593 L639 L642 I644 T646 L648	S585-I589 VanDerWaalsContact O-CG1 3.31Å; S585-I589 WeakPolarHBondContact O-CG1 3.46Å; S585-I589 PolarHBondContact O-N 2.88Å; E586-I589 PolarHBondContact O-N 3.34Å; I589-T591 VanDerWaalsContact C-N 3.33Å; I589-T591 PolarHBondContact O-N 2.98Å; I589-S592 PolarHBondContact O-N 3.49Å; I589-L593 WeakPolarHBondContact O-CG 3.19Å; I589-L593 PolarHBondContact O-N 3.07Å; I589-L593 VanDerWaalsContact O-N 3.16Å; I589-L639 HydrophobicContact CG1-CD2 4Å; I589-L642 HydrophobicContact CD1-CB 4.11Å; I589-L642 HydrophobicContact CD1-CD1 3.99Å; I589-L642 HydrophobicContact CG1-CD1 4.33Å; I589-I644 HydrophobicContact CD1-CB 4.27Å; I589-I644 HydrophobicContact CD1-CD1 4.29Å; I589-T646 HydrophobicContact CB-CG2 4.35Å; I589-T646 HydrophobicContact CD1-CG2 4.05Å; I589-T646 HydrophobicContact CG2-CG2 3.66Å; I589-L648 HydrophobicContact CG1-CD2 4.32Å; I589-L648 HydrophobicContact CG2-CB 4.06Å; I589-L648 HydrophobicContact CG2-CD2 4.06Å; I589-L648 HydrophobicContact CG2-CG 4.48Å
590	K	91	Very high	92.2	Very high	84 Å²	84	30.6 Å²	30.6	37%	0.365	15%	0.153	S	C	.	.	H	α-helix	trans	-54.6	-49.5	174.8	-73.6	170.4	-172.1	156.2	0	111.7	E457 E586 N587 P594	E457-K590 WeakPolarHBondContact OE1-CD 3.43Å; E457-K590 IonicContact OE1-NZ 2.91Å; E457-K590 PolarHBondContact OE1-NZ 2.82Å; E586-K590 WeakPolarHBondContact O-CG 3.39Å; E586-K590 PolarHBondContact O-N 2.96Å; E586-K590 WeakPolarHBondContact OE1-CE 3.46Å; E586-K590 IonicContact OE1-NZ 3.86Å; E586-K590 PolarHBondContact OE1-NZ 2.96Å; N587-K590 PolarHBondContact O-N 3.44Å; N587-K590 PolarHBondContact OD1-NZ 3.45Å; K590-P594 WeakPolarHBondContact O-CD 3.45Å
591	T	93.6	Very high	92.3	Very high	12 Å²	12	32.9 Å²	32.9	7%	0.074	17%	0.165	C	C	.	.	H	α-helix	trans	-71.2	-31.8	-179.3	51.6	0	0	0	0	112.7	E457 M460 N587 L588 I589 P594 Y595	E457-T591 HydrophobicContact CB-CG2 3.68Å; E457-T591 HydrophobicContact CG-CG2 4.07Å; E457-T591 VanDerWaalsContact O-CG2 3.26Å; E457-T591 WeakPolarHBondContact O-CG2 3.27Å; M460-T591 HydrophobicContact CB-CG2 4.2Å; N587-T591 WeakPolarHBondContact O-CB 3.46Å; N587-T591 WeakPolarHBondContact O-CG2 3.41Å; N587-T591 PolarHBondContact O-N 2.91Å; N587-T591 PolarHBondContact O-OG1 3.21Å; L588-T591 WeakPolarHBondContact CA-OG1 2.99Å; L588-T591 PolarHBondContact O-OG1 3.24Å; I589-T591 VanDerWaalsContact C-N 3.33Å; I589-T591 PolarHBondContact O-N 2.98Å; T591-P594 VanDerWaalsContact O-CD 3.31Å; T591-P594 WeakPolarHBondContact O-CD 3.15Å; T591-P594 WeakPolarHBondContact O-CG 3.47Å; T591-Y595 WeakPolarHBondContact O-CD2 3.45Å; T591-Y595 WeakPolarHBondContact O-CE2 3.26Å
592	S	93.9	Very high	92.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69.9	-34.2	178.2	-64.7	0	0	0	0	113.7	L588 I589 Y595 L596	L588-S592 WeakPolarHBondContact O-CB 3.2Å; L588-S592 PolarHBondContact O-N 3.01Å; L588-S592 PolarHBondContact O-OG 3.25Å; I589-S592 PolarHBondContact O-N 3.49Å; S592-Y595 PolarHBondContact O-N 3.25Å; S592-L596 PolarHBondContact O-N 2.7Å
593	L	93.1	Very high	92.6	Very high	47 Å²	47	32 Å²	32	25%	0.246	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-46.2	-53.4	-178	-79.8	165.1	0	0	0	114.2	I589 Y595 L596	I589-L593 WeakPolarHBondContact O-CG 3.19Å; I589-L593 PolarHBondContact O-N 3.07Å; I589-L593 VanDerWaalsContact O-N 3.16Å; L593-Y595 PolarHBondContact O-N 2.84Å; L593-L596 HydrophobicContact CD2-CD1 3.97Å; L593-L596 PolarHBondContact O-N 3.25Å
594	P	93.3	Very high	92.7	Very high	91 Å²	91	33 Å²	33	59%	0.591	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-70.7	-4.2	178.6	27.5	-36.6	0	0	0	115.7	K590 T591	K590-P594 WeakPolarHBondContact O-CD 3.45Å; T591-P594 VanDerWaalsContact O-CD 3.31Å; T591-P594 WeakPolarHBondContact O-CD 3.15Å; T591-P594 WeakPolarHBondContact O-CG 3.47Å
595	Y	94.4	Very high	92.2	Very high	21 Å²	21	37.5 Å²	37.5	8%	0.082	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-106.3	-3.7	176.2	-62.1	-96.4	0	0	0	113.2	S461 L464 N465 T468 T591 S592 L593 D597 K598 L599	S461-Y595 PolarHBondContact OG-OH 2.95Å; S461-Y595 VanDerWaalsContact OG-OH 3.05Å; L464-Y595 HydrophobicContact CB-CD1 4.1Å; L464-Y595 HydrophobicContact CB-CD2 3.96Å; L464-Y595 HydrophobicContact CB-CE1 4.15Å; L464-Y595 HydrophobicContact CB-CE2 3.99Å; L464-Y595 HydrophobicContact CB-CG 4.02Å; L464-Y595 HydrophobicContact CD1-CD2 3.97Å; L464-Y595 HydrophobicContact CD1-CE2 4.24Å; N465-Y595 VanDerWaalsContact CG-OH 3.29Å; N465-Y595 PolarHBondContact ND2-OH 3.41Å; N465-Y595 PolarHBondContact OD1-OH 3.01Å; T468-Y595 HydrophobicContact CG2-CD1 4.13Å; T468-Y595 VanDerWaalsContact OG1-CD1 3.25Å; T468-Y595 WeakPolarHBondContact OG1-CD1 3.32Å; T591-Y595 WeakPolarHBondContact O-CD2 3.45Å; T591-Y595 WeakPolarHBondContact O-CE2 3.26Å; S592-Y595 PolarHBondContact O-N 3.25Å; L593-Y595 PolarHBondContact O-N 2.84Å; Y595-D597 VanDerWaalsContact C-N 3.33Å; Y595-D597 PolarHBondContact O-N 3.08Å; Y595-K598 HydrophobicContact CD1-CD 4.23Å; Y595-K598 WeakPolarHBondContact O-CA 3.37Å; Y595-K598 WeakPolarHBondContact O-CB 3.38Å; Y595-K598 PolarHBondContact O-N 3.05Å; Y595-L599 WeakPolarHBondContact O-CG 3.47Å; Y595-L599 PolarHBondContact O-N 2.82Å
596	L	94.3	Very high	91.2	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-58.3	-39.9	-174.5	-71.3	172.3	0	0	0	113.4	S592 L593 K598 L599 H600 I636 L648 T651 I652 I655	S592-L596 PolarHBondContact O-N 2.7Å; L593-L596 HydrophobicContact CD2-CD1 3.97Å; L593-L596 PolarHBondContact O-N 3.25Å; L596-K598 VanDerWaalsContact C-N 3.34Å; L596-K598 PolarHBondContact O-N 3.11Å; L596-L599 PolarHBondContact O-N 3.36Å; L596-H600 WeakPolarHBondContact O-CB 3.44Å; L596-H600 PolarHBondContact O-N 3.07Å; L596-I636 HydrophobicContact CD2-CD1 3.61Å; L596-L648 HydrophobicContact CD1-CD1 3.89Å; L596-L648 HydrophobicContact CD2-CD1 4.07Å; L596-T651 HydrophobicContact CD1-CG2 3.51Å; L596-I652 HydrophobicContact CD2-CG1 4.34Å; L596-I655 HydrophobicContact CB-CD1 3.66Å
597	D	93.4	Very high	90.4	Very high	96 Å²	96	37.8 Å²	37.8	51%	0.513	18%	0.182	S	C	.	.	H	α-helix	trans	-60	-44.5	174.4	-63.4	-75.5	0	0	0	111.6	Y595 H600 D601 I655	Y595-D597 VanDerWaalsContact C-N 3.33Å; Y595-D597 PolarHBondContact O-N 3.08Å; D597-H600 PolarHBondContact O-N 2.92Å; D597-D601 WeakPolarHBondContact O-CB 3.29Å; D597-D601 PolarHBondContact O-N 3.07Å; D597-I655 WeakPolarHBondContact OD1-CD1 3.5Å
598	K	92.9	Very high	89	Confident	88 Å²	88	40.3 Å²	40.3	38%	0.383	20%	0.2	S	C	.	.	H	α-helix	trans	-66.5	-41.2	178.2	-55.1	-170.9	-169.1	176.1	0	111.5	T468 Y595 L596 D601 L602	T468-K598 HydrophobicContact CG2-CB 3.84Å; T468-K598 HydrophobicContact CG2-CD 4.12Å; Y595-K598 HydrophobicContact CD1-CD 4.23Å; Y595-K598 WeakPolarHBondContact O-CA 3.37Å; Y595-K598 WeakPolarHBondContact O-CB 3.38Å; Y595-K598 PolarHBondContact O-N 3.05Å; L596-K598 VanDerWaalsContact C-N 3.34Å; L596-K598 PolarHBondContact O-N 3.11Å; K598-D601 WeakPolarHBondContact O-CB 3.31Å; K598-D601 PolarHBondContact O-N 3.43Å; K598-L602 VanDerWaalsContact O-CG 3.28Å; K598-L602 WeakPolarHBondContact O-CG 3.16Å; K598-L602 PolarHBondContact O-N 3.41Å
599	L	94	Very high	87.6	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-66.1	-38.3	176.5	-68.6	171.6	0	0	0	111.6	I467 T468 Y595 L596 L602 L603 I632 I636	I467-L599 HydrophobicContact CG2-CD2 3.8Å; T468-L599 HydrophobicContact CG2-CD2 4.31Å; Y595-L599 WeakPolarHBondContact O-CG 3.47Å; Y595-L599 PolarHBondContact O-N 2.82Å; L596-L599 PolarHBondContact O-N 3.36Å; L599-L602 PolarHBondContact O-N 2.92Å; L599-L603 PolarHBondContact O-N 3.04Å; L599-I632 HydrophobicContact CB-CG2 4.41Å; L599-I636 HydrophobicContact CD1-CD1 4.38Å
600	H	94.5	Very high	86	Confident	8 Å²	8	52.2 Å²	52.2	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-40	172.3	-176.3	-146.5	0	0	0	111.8	L596 D597 L603 K604 I655 G656 F657 T660	L596-H600 WeakPolarHBondContact O-CB 3.44Å; L596-H600 PolarHBondContact O-N 3.07Å; D597-H600 PolarHBondContact O-N 2.92Å; H600-L603 WeakPolarHBondContact O-CB 3.4Å; H600-L603 PolarHBondContact O-N 2.86Å; H600-K604 VanDerWaalsContact CD2-CE 3.49Å; H600-K604 WeakPolarHBondContact CD2-CE 3.28Å; H600-K604 WeakPolarHBondContact CE1-CE 3.09Å; H600-K604 PolarHBondContact CE1-NZ 3.46Å; H600-K604 WeakPolarHBondContact ND1-CE 3.26Å; H600-K604 PolarHBondContact ND1-NZ 3.09Å; H600-K604 VanDerWaalsContact NE2-CE 3.3Å; H600-K604 WeakPolarHBondContact NE2-CE 3.08Å; H600-K604 WeakPolarHBondContact O-CE 3.31Å; H600-K604 WeakPolarHBondContact O-CG 2.89Å; H600-K604 PolarHBondContact O-N 3.27Å; H600-I655 HydrophobicContact CB-CG2 3.88Å; H600-I655 PolarHBondContact CE1-O 2.83Å; H600-I655 VanDerWaalsContact ND1-CG2 3.3Å; H600-I655 WeakPolarHBondContact ND1-CG2 3.43Å; H600-I655 PolarHBondContact ND1-O 3.08Å; H600-G656 VanDerWaalsContact CE1-C 3.48Å; H600-G656 PolarHBondContact NE2-O 2.85Å; H600-F657 HydrophobicContact CB-CD2 3.98Å; H600-F657 AromaticContact CD2-CD2 3.93Å; H600-T660 WeakPolarHBondContact NE2-CB 3.45Å; H600-T660 PolarHBondContact NE2-OG1 3.36Å
601	D	91.6	Very high	84.6	Confident	59 Å²	59	54.6 Å²	54.6	32%	0.316	26%	0.26	S	S	.	.	H	α-helix	trans	-63.9	-41.8	173.5	-104.5	30.1	0	0	0	113	D597 K598 L603 K604 R605	D597-D601 WeakPolarHBondContact O-CB 3.29Å; D597-D601 PolarHBondContact O-N 3.07Å; K598-D601 WeakPolarHBondContact O-CB 3.31Å; K598-D601 PolarHBondContact O-N 3.43Å; D601-L603 VanDerWaalsContact C-N 3.26Å; D601-L603 PolarHBondContact O-N 2.68Å; D601-K604 PolarHBondContact O-N 2.97Å; D601-K604 IonicContact OD1-NZ 2.7Å; D601-K604 PolarHBondContact OD1-NZ 2.84Å; D601-R605 VanDerWaalsContact O-CG 3.23Å; D601-R605 WeakPolarHBondContact O-CG 3.41Å; D601-R605 PolarHBondContact O-N 3.01Å; D601-R605 IonicContact OD2-CZ 3.21Å; D601-R605 IonicContact OD2-NH2 3.59Å; D601-R605 PolarHBondContact OD2-NH2 2.9Å
602	L	90.9	Very high	83.3	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-65.6	-29.5	172.6	-67.8	165.5	0	0	0	111.7	I467 T468 V473 K598 L599 H607 I632	I467-L602 HydrophobicContact CG2-CD1 4.1Å; I467-L602 VanDerWaalsContact O-CD1 3.27Å; I467-L602 WeakPolarHBondContact O-CD1 3.45Å; T468-L602 HydrophobicContact CG2-CD1 3.94Å; V473-L602 HydrophobicContact CG2-CD2 3.68Å; K598-L602 VanDerWaalsContact O-CG 3.28Å; K598-L602 WeakPolarHBondContact O-CG 3.16Å; K598-L602 PolarHBondContact O-N 3.41Å; L599-L602 PolarHBondContact O-N 2.92Å; L602-H607 PolarHBondContact O-NE2 3.29Å; L602-I632 HydrophobicContact CB-CD1 3.56Å
603	L	92.5	Very high	82.3	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-68.8	-41.2	171.6	-175.4	64.2	0	0	0	111.9	L599 H600 D601 R629 I632 L633 F657 T660 L664	L599-L603 PolarHBondContact O-N 3.04Å; H600-L603 WeakPolarHBondContact O-CB 3.4Å; H600-L603 PolarHBondContact O-N 2.86Å; D601-L603 VanDerWaalsContact C-N 3.26Å; D601-L603 PolarHBondContact O-N 2.68Å; L603-R629 HydrophobicContact CD1-CB 3.9Å; L603-R629 HydrophobicContact CD1-CG 4.16Å; L603-R629 WeakPolarHBondContact O-CD 3.33Å; L603-R629 PolarHBondContact O-NE 3.15Å; L603-I632 HydrophobicContact CB-CG2 4.33Å; L603-L633 HydrophobicContact CD1-CD1 3.99Å; L603-L633 HydrophobicContact CD1-CD2 4.36Å; L603-L633 HydrophobicContact CD1-CG 3.86Å; L603-L633 HydrophobicContact CD2-CD2 4.16Å; L603-F657 HydrophobicContact CB-CE2 4.49Å; L603-F657 HydrophobicContact CD2-CD2 4.17Å; L603-F657 HydrophobicContact CD2-CE1 4.1Å; L603-F657 HydrophobicContact CD2-CE2 3.64Å; L603-F657 HydrophobicContact CD2-CZ 3.6Å; L603-T660 HydrophobicContact CD2-CG2 4.28Å; L603-T660 HydrophobicContact CG-CG2 4.34Å; L603-L664 HydrophobicContact CD1-CD1 3.5Å; L603-L664 HydrophobicContact CD2-CD1 4.14Å; L603-L664 HydrophobicContact CG-CD1 3.67Å
604	K	90.2	Very high	81.5	Confident	92 Å²	92	63.3 Å²	63.3	40%	0.4	31%	0.309	S	S	.	.	H	α-helix	trans	-63.3	-47.7	175.5	-64.5	161.8	-150.3	159.4	0	111.5	H600 D601 R629 T660	H600-K604 VanDerWaalsContact CD2-CE 3.49Å; H600-K604 WeakPolarHBondContact CD2-CE 3.28Å; H600-K604 WeakPolarHBondContact CE1-CE 3.09Å; H600-K604 PolarHBondContact CE1-NZ 3.46Å; H600-K604 WeakPolarHBondContact ND1-CE 3.26Å; H600-K604 PolarHBondContact ND1-NZ 3.09Å; H600-K604 VanDerWaalsContact NE2-CE 3.3Å; H600-K604 WeakPolarHBondContact NE2-CE 3.08Å; H600-K604 WeakPolarHBondContact O-CE 3.31Å; H600-K604 WeakPolarHBondContact O-CG 2.89Å; H600-K604 PolarHBondContact O-N 3.27Å; D601-K604 PolarHBondContact O-N 2.97Å; D601-K604 IonicContact OD1-NZ 2.7Å; D601-K604 PolarHBondContact OD1-NZ 2.84Å; K604-R629 PolarHBondContact O-NH2 3.33Å; K604-T660 HydrophobicContact CG-CG2 4.08Å
605	R	83.1	Confident	80.6	Confident	94 Å²	94	63.7 Å²	63.7	36%	0.355	31%	0.311	S	S	.	.	S	Bend	trans	-58.8	148.6	-175.8	-72.4	167.4	-153.8	-162.9	5.7	112	E471 D601 R629	E471-R605 PolarHBondContact O-NH1 3.02Å; D601-R605 VanDerWaalsContact O-CG 3.23Å; D601-R605 WeakPolarHBondContact O-CG 3.41Å; D601-R605 PolarHBondContact O-N 3.01Å; D601-R605 IonicContact OD2-CZ 3.21Å; D601-R605 IonicContact OD2-NH2 3.59Å; D601-R605 PolarHBondContact OD2-NH2 2.9Å; R605-R629 VanDerWaalsContact O-CZ 3.31Å; R605-R629 PolarHBondContact O-NE 3.47Å; R605-R629 PolarHBondContact O-NH2 3.02Å; R605-R629 VanDerWaalsContact O-NH2 3.09Å
606	F	70.1	Confident	79.7	Confident	66 Å²	66	65.1 Å²	65.1	29%	0.289	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-84.8	131.5	162.5	170	-114.4	0	0	0	108.7	Q609 N612 P623 P624	F606-Q609 VanDerWaalsContact CE2-NE2 3.27Å; F606-N612 HydrophobicContact CE1-CB 4.27Å; F606-N612 WeakPolarHBondContact CE1-OD1 3.39Å; F606-N612 HydrophobicContact CZ-CB 4.13Å; F606-N612 VanDerWaalsContact CZ-OD1 3.29Å; F606-N612 WeakPolarHBondContact CZ-OD1 3.1Å; F606-P623 HydrophobicContact CB-CB 4.4Å; F606-P623 HydrophobicContact CB-CG 4.37Å; F606-P623 HydrophobicContact CD2-CB 3.15Å; F606-P623 HydrophobicContact CD2-CG 3.89Å; F606-P623 HydrophobicContact CE2-CB 3.4Å; F606-P623 VanDerWaalsContact CE2-CB 3.4Å; F606-P623 HydrophobicContact CG-CB 3.8Å; F606-P623 HydrophobicContact CG-CG 4.29Å; F606-P623 HydrophobicContact CZ-CB 4.26Å; F606-P624 HydrophobicContact CE2-CG 4.43Å
607	H	72.4	Confident	78.7	Confident	6 Å²	6	70.4 Å²	70.4	3%	0.028	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-97.3	125.7	175.3	-63.4	-79.3	0	0	0	109.2	L602 Q609 C628	L602-H607 PolarHBondContact O-NE2 3.29Å; H607-Q609 PolarHBondContact O-N 3.39Å; H607-Q609 PolarHBondContact O-NE2 2.93Å; H607-C628 HydrophobicContact CB-CB 3.99Å; H607-C628 VanDerWaalsContact CD2-CB 3.44Å; H607-C628 WeakPolarHBondContact CD2-CB 3.41Å
608	P	62.8	Low	77.3	Confident	70 Å²	70	70.6 Å²	70.6	46%	0.455	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-50.7	135.4	176.1	-27.6	35.4	0	0	0	111.8	Y472	Y472-P608 HydrophobicContact CD1-CG 4.4Å
609	Q	65.1	Low	76.3	Confident	54 Å²	54	68.9 Å²	68.9	25%	0.252	35%	0.351	S	S	.	.			trans	-135.6	159.4	-177.5	-79.5	159.5	79.9	0	0	108.7	F606 H607 Y611 N612	F606-Q609 VanDerWaalsContact CE2-NE2 3.27Å; H607-Q609 PolarHBondContact O-N 3.39Å; H607-Q609 PolarHBondContact O-NE2 2.93Å; Q609-Y611 PolarHBondContact O-N 3.21Å; Q609-N612 PolarHBondContact O-OD1 3.05Å
610	F	58.1	Low	75.5	Confident	199 Å²	199	73 Å²	73	87%	0.873	38%	0.376	S	S	*	.	S	Bend	trans	-50.3	-27.7	173	-66.6	-75.4	0	0	0	113.1
611	Y	61.9	Low	74.7	Confident	135 Å²	135	74.4 Å²	74.4	53%	0.529	38%	0.384	S	S	.	.			trans	-127	110.6	169.3	-47.9	-78.3	0	0	0	109.2	Q609 C613 P624 S975	Q609-Y611 PolarHBondContact O-N 3.21Å; Y611-C613 PolarHBondContact O-N 2.9Å; Y611-P624 WeakPolarHBondContact O-CG 3.49Å; Y611-S975 PolarHBondContact OH-OG 2.93Å
612	N	67.4	Low	74.1	Confident	90 Å²	90	77.5 Å²	77.5	48%	0.481	40%	0.4	S	S	.	.	S	Bend	trans	-72.3	-10.9	173	-66.9	-33.7	0	0	0	113	F606 Q609 P624	F606-N612 HydrophobicContact CE1-CB 4.27Å; F606-N612 WeakPolarHBondContact CE1-OD1 3.39Å; F606-N612 HydrophobicContact CZ-CB 4.13Å; F606-N612 VanDerWaalsContact CZ-OD1 3.29Å; F606-N612 WeakPolarHBondContact CZ-OD1 3.1Å; Q609-N612 PolarHBondContact O-OD1 3.05Å; N612-P624 VanDerWaalsContact O-CD 3.26Å; N612-P624 WeakPolarHBondContact O-CD 3.45Å
613	C	72.6	Confident	73.6	Confident	57 Å²	57	79 Å²	79	39%	0.385	41%	0.41	S	S	.	.	S	Bend	trans	-147.7	119.7	-175.2	-172.2	0	0	0	0	106.9	Y611 T620 L621	Y611-C613 PolarHBondContact O-N 2.9Å; C613-T620 WeakPolarHBondContact SG-CG2 3.5Å; C613-L621 WeakPolarHBondContact CA-O 3.16Å
614	M	76	Confident	73.1	Confident	95 Å²	95	79.4 Å²	79.4	47%	0.468	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	108.6	-175.3	-173.6	-174.8	-176.4	0	0	110.5	L621 P624	M614-L621 HydrophobicContact CB-CB 4.4Å; M614-L621 PolarHBondContact N-O 2.85Å; M614-L621 PolarHBondContact O-N 3.35Å; M614-P624 HydrophobicContact CB-CB 4.26Å
615	P	74.5	Confident	72.9	Confident	98 Å²	98	75.4 Å²	75.4	64%	0.636	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	133.9	169.6	28.6	-32.9	0	0	0	109.9
616	T	75	Confident	73	Confident	52 Å²	52	71.7 Å²	71.7	32%	0.319	39%	0.386	S	S	.	.			trans	-124.9	170.5	173	76.4	0	0	0	0	109.7	H618 C619 L621	T616-H618 PolarHBondContact O-N 3.35Å; T616-H618 PolarHBondContact OG1-N 3.3Å; T616-C619 WeakPolarHBondContact CA-O 3.3Å; T616-C619 WeakPolarHBondContact CB-O 3.11Å; T616-C619 PolarHBondContact N-O 3.28Å; T616-C619 PolarHBondContact OG1-N 3.1Å; T616-C619 PolarHBondContact OG1-O 3.21Å; T616-L621 HydrophobicContact CG2-CD1 3.88Å; T616-L621 HydrophobicContact CG2-CG 3.96Å
617	T	74.4	Confident	73.8	Confident	115 Å²	115	76.2 Å²	76.2	71%	0.706	40%	0.402	S	S	*	.	S	Bend	trans	-63.6	-9.6	-179.1	57.2	0	0	0	0	115.1
618	H	64.3	Low	74.7	Confident	99 Å²	99	76 Å²	76	46%	0.458	40%	0.401	S	S	.	.	S	Bend	trans	-122.5	-32.8	179.4	-62.8	-65.8	0	0	0	113.8	T616 Y670	T616-H618 PolarHBondContact O-N 3.35Å; T616-H618 PolarHBondContact OG1-N 3.3Å; H618-Y670 HydrophobicContact CB-CE2 3.94Å
619	C	71.1	Confident	76.1	Confident	52 Å²	52	73.4 Å²	73.4	35%	0.351	38%	0.382	S	S	.	.			trans	-158	163.7	-179	63	0	0	0	0	111.8	T616	T616-C619 WeakPolarHBondContact CA-O 3.3Å; T616-C619 WeakPolarHBondContact CB-O 3.11Å; T616-C619 PolarHBondContact N-O 3.28Å; T616-C619 PolarHBondContact OG1-N 3.1Å; T616-C619 PolarHBondContact OG1-O 3.21Å
620	T	77.9	Confident	77.4	Confident	87 Å²	87	72.5 Å²	72.5	53%	0.534	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	114.3	169.6	-61.7	0	0	0	0	109.4	C613 N622	C613-T620 WeakPolarHBondContact SG-CG2 3.5Å; T620-N622 PolarHBondContact O-N 3.35Å
621	L	77.6	Confident	79.1	Confident	38 Å²	38	63.3 Å²	63.3	20%	0.199	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	106.6	177.4	-62.4	179.1	0	0	0	109.7	C613 M614 T616 P624 Y668	C613-L621 WeakPolarHBondContact CA-O 3.16Å; M614-L621 HydrophobicContact CB-CB 4.4Å; M614-L621 PolarHBondContact N-O 2.85Å; M614-L621 PolarHBondContact O-N 3.35Å; T616-L621 HydrophobicContact CG2-CD1 3.88Å; T616-L621 HydrophobicContact CG2-CG 3.96Å; L621-P624 HydrophobicContact CB-CB 4.43Å; L621-Y668 HydrophobicContact CD1-CD1 4.45Å; L621-Y668 HydrophobicContact CD2-CD1 3.98Å; L621-Y668 HydrophobicContact CD2-CE1 4.26Å
622	N	78.5	Confident	80.7	Confident	125 Å²	125	56.9 Å²	56.9	67%	0.668	31%	0.314	S	S	*	.	S	Bend	trans	-132.8	100.8	177.8	-174.1	3.1	0	0	0	110.2	T620	T620-N622 PolarHBondContact O-N 3.35Å
623	P	79.5	Confident	82	Confident	34 Å²	34	52.6 Å²	52.6	22%	0.221	29%	0.291	C	S	.	.	S	Bend	cis	-78.5	159	-5.2	30.7	-34.1	0	0	0	113.5	F606 Y668	F606-P623 HydrophobicContact CB-CB 4.4Å; F606-P623 HydrophobicContact CB-CG 4.37Å; F606-P623 HydrophobicContact CD2-CB 3.15Å; F606-P623 HydrophobicContact CD2-CG 3.89Å; F606-P623 HydrophobicContact CE2-CB 3.4Å; F606-P623 VanDerWaalsContact CE2-CB 3.4Å; F606-P623 HydrophobicContact CG-CB 3.8Å; F606-P623 HydrophobicContact CG-CG 4.29Å; F606-P623 HydrophobicContact CZ-CB 4.26Å; P623-Y668 VanDerWaalsContact O-CE1 3.29Å; P623-Y668 WeakPolarHBondContact O-CE1 3.08Å; P623-Y668 PolarHBondContact O-OH 3.32Å
624	P	83.1	Confident	83.1	Confident	9 Å²	9	51.6 Å²	51.6	6%	0.058	28%	0.281	C	S	.	.			trans	-67	149.4	161.3	29.5	-33	0	0	0	111.4	F606 Y611 N612 M614 L621 G626	F606-P624 HydrophobicContact CE2-CG 4.43Å; Y611-P624 WeakPolarHBondContact O-CG 3.49Å; N612-P624 VanDerWaalsContact O-CD 3.26Å; N612-P624 WeakPolarHBondContact O-CD 3.45Å; M614-P624 HydrophobicContact CB-CB 4.26Å; L621-P624 HydrophobicContact CB-CB 4.43Å; P624-G626 VanDerWaalsContact C-N 3.3Å; P624-G626 PolarHBondContact O-N 3.28Å
625	L	85.9	Confident	84.1	Confident	9 Å²	9	47.1 Å²	47.1	5%	0.047	26%	0.259	C	S	.	.			trans	-57.8	-41.6	-178	-177.2	73.3	0	0	0	112.4	R629 L630 L664 Y668 N671 L674	L625-R629 HydrophobicContact CD1-CB 3.82Å; L625-R629 HydrophobicContact CD1-CG 4.46Å; L625-R629 HydrophobicContact CG-CB 4.09Å; L625-R629 WeakPolarHBondContact O-CB 3.3Å; L625-R629 WeakPolarHBondContact O-CD 3.39Å; L625-L630 HydrophobicContact CD2-CB 4.44Å; L625-L630 HydrophobicContact CD2-CD1 4.16Å; L625-L664 HydrophobicContact CD1-CD2 4.26Å; L625-Y668 HydrophobicContact CB-CD1 4.14Å; L625-Y668 HydrophobicContact CB-CD2 4.12Å; L625-Y668 HydrophobicContact CB-CE1 4Å; L625-Y668 HydrophobicContact CB-CE2 3.97Å; L625-Y668 HydrophobicContact CB-CG 4.21Å; L625-Y668 HydrophobicContact CD1-CD2 3.7Å; L625-Y668 HydrophobicContact CD1-CE2 3.55Å; L625-Y668 HydrophobicContact CG-CD2 4.39Å; L625-Y668 HydrophobicContact CG-CE2 4.36Å; L625-N671 WeakPolarHBondContact CD2-ND2 3.15Å; L625-L674 HydrophobicContact CD1-CD2 4.48Å; L625-L674 HydrophobicContact CD2-CB 4.04Å; L625-L674 HydrophobicContact CD2-CD2 4.19Å
626	G	85.6	Confident	85.1	Confident	15 Å²	15	42.4 Å²	42.4	16%	0.155	23%	0.228	C	C	.	.	H	α-helix	trans	72.9	160.5	-178.2	0	0	0	0	0	114.9	P624 C628	P624-G626 VanDerWaalsContact C-N 3.3Å; P624-G626 PolarHBondContact O-N 3.28Å; G626-C628 VanDerWaalsContact C-N 3.26Å; G626-C628 PolarHBondContact O-N 2.89Å
627	R	86.7	Confident	86	Confident	161 Å²	161	40.2 Å²	40.2	61%	0.608	22%	0.215	S	C	*	.	H	α-helix	trans	-62.1	-34	177.1	-65.8	-176.7	178.7	172.8	-0.9	111.8	V479 L630 A631	V479-R627 HydrophobicContact CG2-CB 3.8Å; R627-L630 PolarHBondContact O-N 3.32Å; R627-A631 WeakPolarHBondContact O-CB 3.38Å; R627-A631 PolarHBondContact O-N 2.8Å
628	C	90.3	Very high	86.9	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.007	19%	0.186	C	C	.	.	H	α-helix	trans	-58.1	-55.6	-177.7	-51.8	0	0	0	0	113.6	P475 L478 H607 G626 L630 A631 I632	P475-C628 VanDerWaalsContact CA-SG 3.56Å; P475-C628 VanDerWaalsContact CB-SG 3.56Å; L478-C628 HydrophobicContact CD1-CB 4.2Å; L478-C628 HydrophobicContact CD2-CB 4.46Å; H607-C628 HydrophobicContact CB-CB 3.99Å; H607-C628 VanDerWaalsContact CD2-CB 3.44Å; H607-C628 WeakPolarHBondContact CD2-CB 3.41Å; G626-C628 VanDerWaalsContact C-N 3.26Å; G626-C628 PolarHBondContact O-N 2.89Å; C628-L630 VanDerWaalsContact C-N 3.28Å; C628-L630 PolarHBondContact O-N 2.76Å; C628-A631 PolarHBondContact O-N 3.17Å; C628-I632 WeakPolarHBondContact O-CG1 3.34Å; C628-I632 PolarHBondContact O-N 3.31Å; C628-I632 VanDerWaalsContact O-N 3.07Å
629	R	92.3	Very high	88.2	Confident	17 Å²	17	30.6 Å²	30.6	6%	0.064	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-38.4	179.4	-70.6	-177.2	173	162.2	-14	111.3	L603 K604 R605 L625 I632 L633 Y668	L603-R629 HydrophobicContact CD1-CB 3.9Å; L603-R629 HydrophobicContact CD1-CG 4.16Å; L603-R629 WeakPolarHBondContact O-CD 3.33Å; L603-R629 PolarHBondContact O-NE 3.15Å; K604-R629 PolarHBondContact O-NH2 3.33Å; R605-R629 VanDerWaalsContact O-CZ 3.31Å; R605-R629 PolarHBondContact O-NE 3.47Å; R605-R629 PolarHBondContact O-NH2 3.02Å; R605-R629 VanDerWaalsContact O-NH2 3.09Å; L625-R629 HydrophobicContact CD1-CB 3.82Å; L625-R629 HydrophobicContact CD1-CG 4.46Å; L625-R629 HydrophobicContact CG-CB 4.09Å; L625-R629 WeakPolarHBondContact O-CB 3.3Å; L625-R629 WeakPolarHBondContact O-CD 3.39Å; R629-I632 PolarHBondContact O-N 2.96Å; R629-L633 WeakPolarHBondContact O-CD1 3.43Å; R629-L633 WeakPolarHBondContact O-CG 3.26Å; R629-L633 PolarHBondContact O-N 3.46Å; R629-L633 VanDerWaalsContact O-N 3.08Å; R629-Y668 PolarHBondContact NH1-OH 3.21Å; R629-Y668 VanDerWaalsContact NH1-OH 3.16Å
630	L	92.9	Very high	89.1	Confident	34 Å²	34	28.3 Å²	28.3	18%	0.178	15%	0.148	C	C	.	.	H	α-helix	trans	-66.5	-40.7	178.2	-165.1	69.1	0	0	0	112.2	L625 R627 C628 L633 Q634 F673 L674 Y677	L625-L630 HydrophobicContact CD2-CB 4.44Å; L625-L630 HydrophobicContact CD2-CD1 4.16Å; R627-L630 PolarHBondContact O-N 3.32Å; C628-L630 VanDerWaalsContact C-N 3.28Å; C628-L630 PolarHBondContact O-N 2.76Å; L630-L633 PolarHBondContact O-N 2.65Å; L630-Q634 WeakPolarHBondContact O-CB 3.37Å; L630-Q634 PolarHBondContact O-N 3.47Å; L630-F673 HydrophobicContact CD1-CB 3.87Å; L630-F673 HydrophobicContact CD2-CB 4.04Å; L630-L674 HydrophobicContact CD1-CB 4.26Å; L630-Y677 HydrophobicContact CD1-CD2 3.76Å; L630-Y677 HydrophobicContact CD1-CE2 3.76Å; L630-Y677 HydrophobicContact CG-CD2 4.35Å; L630-Y677 HydrophobicContact CG-CE2 3.93Å
631	A	94.1	Very high	89.7	Confident	6 Å²	6	25.8 Å²	25.8	5%	0.05	13%	0.134	C	C	.	.	H	α-helix	trans	-65.9	-38.6	175.8	0	0	0	0	0	112.5	L478 V479 V482 R627 C628 Q634 L635	L478-A631 HydrophobicContact CD2-CB 3.75Å; V479-A631 HydrophobicContact CG2-CB 4.22Å; V482-A631 HydrophobicContact CB-CB 4.23Å; V482-A631 HydrophobicContact CG1-CB 4.09Å; V482-A631 HydrophobicContact CG2-CB 4.18Å; R627-A631 WeakPolarHBondContact O-CB 3.38Å; R627-A631 PolarHBondContact O-N 2.8Å; C628-A631 PolarHBondContact O-N 3.17Å; A631-Q634 PolarHBondContact O-N 2.84Å; A631-L635 WeakPolarHBondContact O-CB 3.32Å; A631-L635 PolarHBondContact O-N 2.83Å
632	I	95.3	Very high	90.1	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-61.2	-45.8	172.4	-64	162.5	0	0	0	110.6	L478 L599 L602 L603 C628 R629 L635 I636 F657	L478-I632 HydrophobicContact CD1-CD1 4.24Å; L478-I632 HydrophobicContact CD1-CG1 4.38Å; L478-I632 HydrophobicContact CD2-CG1 4.3Å; L599-I632 HydrophobicContact CB-CG2 4.41Å; L602-I632 HydrophobicContact CB-CD1 3.56Å; L603-I632 HydrophobicContact CB-CG2 4.33Å; C628-I632 WeakPolarHBondContact O-CG1 3.34Å; C628-I632 PolarHBondContact O-N 3.31Å; C628-I632 VanDerWaalsContact O-N 3.07Å; R629-I632 PolarHBondContact O-N 2.96Å; I632-L635 PolarHBondContact O-N 2.93Å; I632-I636 HydrophobicContact CG2-CG1 4.5Å; I632-I636 WeakPolarHBondContact O-CG1 3.46Å; I632-I636 PolarHBondContact O-N 3.45Å; I632-F657 HydrophobicContact CG2-CE2 4.13Å; I632-F657 HydrophobicContact CG2-CZ 4.31Å
633	L	95.6	Very high	89.7	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64	-41.8	177.3	-74.1	160.7	0	0	0	112.1	L603 R629 L630 I636 A637 F657 L674 Y677 V678 I681	L603-L633 HydrophobicContact CD1-CD1 3.99Å; L603-L633 HydrophobicContact CD1-CD2 4.36Å; L603-L633 HydrophobicContact CD1-CG 3.86Å; L603-L633 HydrophobicContact CD2-CD2 4.16Å; R629-L633 WeakPolarHBondContact O-CD1 3.43Å; R629-L633 WeakPolarHBondContact O-CG 3.26Å; R629-L633 PolarHBondContact O-N 3.46Å; R629-L633 VanDerWaalsContact O-N 3.08Å; L630-L633 PolarHBondContact O-N 2.65Å; L633-I636 PolarHBondContact O-N 2.88Å; L633-A637 WeakPolarHBondContact O-CB 3.46Å; L633-A637 PolarHBondContact O-N 3.31Å; L633-F657 HydrophobicContact CD2-CE1 4.02Å; L633-F657 HydrophobicContact CD2-CZ 4.09Å; L633-L674 HydrophobicContact CD1-CD1 3.38Å; L633-Y677 HydrophobicContact CB-CD2 4.4Å; L633-V678 HydrophobicContact CD2-CG2 4.14Å; L633-I681 HydrophobicContact CD2-CD1 4.41Å
634	Q	95.6	Very high	89.3	Confident	35 Å²	35	19.4 Å²	19.4	16%	0.164	10%	0.1	C	C	.	.	H	α-helix	trans	-60.2	-45.8	174.6	178.4	178.6	-6.9	0	0	111.8	M486 L630 A631 S638 Y677	M486-Q634 HydrophobicContact CE-CG 4.2Å; M486-Q634 HydrophobicContact SD-CG 4.2Å; L630-Q634 WeakPolarHBondContact O-CB 3.37Å; L630-Q634 PolarHBondContact O-N 3.47Å; A631-Q634 PolarHBondContact O-N 2.84Å; Q634-S638 VanDerWaalsContact O-CB 3.23Å; Q634-S638 WeakPolarHBondContact O-CB 3.44Å; Q634-S638 PolarHBondContact O-N 2.84Å; Q634-S638 PolarHBondContact O-OG 2.65Å; Q634-Y677 HydrophobicContact CB-CD1 4.33Å; Q634-Y677 HydrophobicContact CB-CD2 4.43Å; Q634-Y677 HydrophobicContact CB-CE1 3.85Å; Q634-Y677 HydrophobicContact CB-CE2 3.97Å; Q634-Y677 HydrophobicContact CG-CE1 3.83Å
635	L	95.5	Very high	88.3	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-60.6	-51.4	176.5	179.2	63.9	0	0	0	110.7	V482 C485 A631 I632 S638 L639	V482-L635 HydrophobicContact CG1-CB 4.22Å; V482-L635 HydrophobicContact CG2-CB 4.44Å; V482-L635 HydrophobicContact CG2-CD2 4.33Å; C485-L635 HydrophobicContact CB-CD1 3.93Å; A631-L635 WeakPolarHBondContact O-CB 3.32Å; A631-L635 PolarHBondContact O-N 2.83Å; I632-L635 PolarHBondContact O-N 2.93Å; L635-S638 PolarHBondContact O-N 3.5Å; L635-L639 HydrophobicContact CD1-CD1 3.97Å; L635-L639 HydrophobicContact CD1-CG 4.11Å; L635-L639 HydrophobicContact CG-CD1 3.89Å; L635-L639 HydrophobicContact CG-CG 4.39Å; L635-L639 WeakPolarHBondContact O-CB 3.42Å; L635-L639 VanDerWaalsContact O-CG 3.29Å; L635-L639 WeakPolarHBondContact O-CG 3.24Å; L635-L639 PolarHBondContact O-N 3.43Å
636	I	95.4	Very high	87.4	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.8	-42.8	-177.6	-65.7	-65.4	0	0	0	111.9	L596 L599 I632 L633 S638 L639 I640 I652 F657 I681	L596-I636 HydrophobicContact CD2-CD1 3.61Å; L599-I636 HydrophobicContact CD1-CD1 4.38Å; I632-I636 HydrophobicContact CG2-CG1 4.5Å; I632-I636 WeakPolarHBondContact O-CG1 3.46Å; I632-I636 PolarHBondContact O-N 3.45Å; L633-I636 PolarHBondContact O-N 2.88Å; I636-S638 VanDerWaalsContact C-N 3.29Å; I636-S638 PolarHBondContact O-N 3.46Å; I636-L639 PolarHBondContact O-N 2.86Å; I636-I640 WeakPolarHBondContact O-CB 3.4Å; I636-I640 VanDerWaalsContact O-CG2 3.24Å; I636-I640 WeakPolarHBondContact O-CG2 3.28Å; I636-I640 PolarHBondContact O-N 2.97Å; I636-I652 HydrophobicContact CG2-CD1 3.68Å; I636-I652 HydrophobicContact CG2-CG1 4.39Å; I636-F657 HydrophobicContact CB-CE1 4.15Å; I636-F657 HydrophobicContact CB-CZ 3.85Å; I636-F657 HydrophobicContact CG1-CE1 4.39Å; I636-F657 HydrophobicContact CG1-CE2 3.92Å; I636-F657 HydrophobicContact CG1-CZ 3.68Å; I636-F657 HydrophobicContact CG2-CD1 4.24Å; I636-F657 HydrophobicContact CG2-CE1 3.69Å; I636-F657 HydrophobicContact CG2-CZ 3.86Å; I636-I681 HydrophobicContact CG2-CD1 4.1Å; I636-I681 HydrophobicContact CG2-CG1 4.45Å
637	A	94.2	Very high	87.3	Confident	5 Å²	5	30.1 Å²	30.1	4%	0.041	16%	0.164	C	C	.	.	H	α-helix	trans	-60.2	-38.9	173.7	0	0	0	0	0	112.3	L633 S641 Y677 I681	L633-A637 WeakPolarHBondContact O-CB 3.46Å; L633-A637 PolarHBondContact O-N 3.31Å; A637-S641 WeakPolarHBondContact O-CB 3.29Å; A637-S641 PolarHBondContact O-N 2.68Å; A637-Y677 HydrophobicContact CB-CD1 4Å; A637-Y677 HydrophobicContact CB-CG 4.43Å; A637-I681 HydrophobicContact CB-CD1 4.15Å; A637-I681 HydrophobicContact CB-CG1 3.7Å
638	S	93.4	Very high	87.4	Confident	13 Å²	13	22.4 Å²	22.4	9%	0.091	14%	0.135	C	C	.	.	H	α-helix	trans	-72.9	-44.6	179.5	-56.5	0	0	0	0	111.5	M486 Q634 L635 I636 S641	M486-S638 WeakPolarHBondContact CE-OG 3.45Å; M486-S638 VanDerWaalsContact SD-CB 3.59Å; M486-S638 PolarHBondContact SD-OG 3.32Å; M486-S638 VanDerWaalsContact SD-OG 3.41Å; Q634-S638 VanDerWaalsContact O-CB 3.23Å; Q634-S638 WeakPolarHBondContact O-CB 3.44Å; Q634-S638 PolarHBondContact O-N 2.84Å; Q634-S638 PolarHBondContact O-OG 2.65Å; L635-S638 PolarHBondContact O-N 3.5Å; I636-S638 VanDerWaalsContact C-N 3.29Å; I636-S638 PolarHBondContact O-N 3.46Å; S638-S641 PolarHBondContact O-N 2.89Å; S638-S641 PolarHBondContact O-OG 3.25Å
639	L	92.3	Very high	87.3	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.5	-44.2	177.2	-72	174	0	0	0	112.5	I489 L588 I589 L635 I636 S641 L642 L648	I489-L639 HydrophobicContact CD1-CD2 4.46Å; L588-L639 HydrophobicContact CB-CD2 4.34Å; L588-L639 HydrophobicContact CD2-CD2 3.75Å; L588-L639 HydrophobicContact CG-CD2 3.83Å; I589-L639 HydrophobicContact CG1-CD2 4Å; L635-L639 HydrophobicContact CD1-CD1 3.97Å; L635-L639 HydrophobicContact CD1-CG 4.11Å; L635-L639 HydrophobicContact CG-CD1 3.89Å; L635-L639 HydrophobicContact CG-CG 4.39Å; L635-L639 WeakPolarHBondContact O-CB 3.42Å; L635-L639 VanDerWaalsContact O-CG 3.29Å; L635-L639 WeakPolarHBondContact O-CG 3.24Å; L635-L639 PolarHBondContact O-N 3.43Å; I636-L639 PolarHBondContact O-N 2.86Å; L639-S641 VanDerWaalsContact C-N 3.27Å; L639-S641 PolarHBondContact O-N 3.23Å; L639-L642 HydrophobicContact CD2-CD1 4.15Å; L639-L642 WeakPolarHBondContact O-CB 3.37Å; L639-L642 PolarHBondContact O-N 3.42Å; L639-L648 HydrophobicContact CB-CD2 3.8Å
640	I	90.5	Very high	87.1	Confident	3 Å²	3	25.4 Å²	25.4	2%	0.015	15%	0.149	C	C	.	.	H	α-helix	trans	-74.7	-16.9	179.8	-157	175.2	0	0	0	112.9	I636 L642 L648 S649 I652 I681 S684 I685 H688	I636-I640 WeakPolarHBondContact O-CB 3.4Å; I636-I640 VanDerWaalsContact O-CG2 3.24Å; I636-I640 WeakPolarHBondContact O-CG2 3.28Å; I636-I640 PolarHBondContact O-N 2.97Å; I640-L642 PolarHBondContact O-N 3.23Å; I640-L648 HydrophobicContact CB-CD2 4.3Å; I640-S649 WeakPolarHBondContact CG1-OG 3.4Å; I640-I652 HydrophobicContact CB-CD1 4.45Å; I640-I652 HydrophobicContact CD1-CD1 3.95Å; I640-I652 HydrophobicContact CG1-CD1 4.48Å; I640-I681 HydrophobicContact CD1-CG2 4.08Å; I640-I681 HydrophobicContact CG2-CB 4.29Å; I640-I681 HydrophobicContact CG2-CG1 4.06Å; I640-I681 HydrophobicContact CG2-CG2 4.23Å; I640-S684 WeakPolarHBondContact O-CB 3.35Å; I640-I685 HydrophobicContact CD1-CD1 4.18Å; I640-I685 HydrophobicContact CD1-CG1 3.51Å; I640-H688 PolarHBondContact O-CD2 2.97Å; I640-H688 VanDerWaalsContact O-CD2 3.29Å; I640-H688 PolarHBondContact O-NE2 3.24Å
641	S	89.2	Confident	87	Confident	35 Å²	35	25.5 Å²	25.5	25%	0.245	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.2	172.1	79	0	0	0	0	114.1	K491 A637 S638 L639	K491-S641 PolarHBondContact NZ-OG 2.71Å; A637-S641 WeakPolarHBondContact O-CB 3.29Å; A637-S641 PolarHBondContact O-N 2.68Å; S638-S641 PolarHBondContact O-N 2.89Å; S638-S641 PolarHBondContact O-OG 3.25Å; L639-S641 VanDerWaalsContact C-N 3.27Å; L639-S641 PolarHBondContact O-N 3.23Å
642	L	85.5	Confident	86.9	Confident	4 Å²	4	25.3 Å²	25.3	2%	0.021	15%	0.149	C	C	.	.	S	Bend	trans	-82.2	128	-179	-63.4	165.6	0	0	0	109.5	I489 I589 L639 I640 I644	I489-L642 HydrophobicContact CB-CD1 4.45Å; I489-L642 HydrophobicContact CD1-CD1 4.22Å; I489-L642 HydrophobicContact CG2-CD1 4.27Å; I589-L642 HydrophobicContact CD1-CB 4.11Å; I589-L642 HydrophobicContact CD1-CD1 3.99Å; I589-L642 HydrophobicContact CG1-CD1 4.33Å; L639-L642 HydrophobicContact CD2-CD1 4.15Å; L639-L642 WeakPolarHBondContact O-CB 3.37Å; L639-L642 PolarHBondContact O-N 3.42Å; I640-L642 PolarHBondContact O-N 3.23Å; L642-I644 PolarHBondContact O-N 2.75Å
643	P	71	Confident	86.7	Confident	29 Å²	29	25.3 Å²	25.3	19%	0.188	15%	0.15	C	C	.	.			trans	-75.2	20.9	-172.4	29.3	-33.6	0	0	0	115.2	F510 I514	F510-P643 HydrophobicContact CB-CB 4.33Å; F510-P643 HydrophobicContact CB-CG 3.35Å; F510-P643 HydrophobicContact CD2-CG 3.39Å; F510-P643 HydrophobicContact CE2-CG 4.26Å; F510-P643 HydrophobicContact CG-CG 3.55Å; I514-P643 HydrophobicContact CD1-CB 4.09Å; I514-P643 HydrophobicContact CD1-CG 4.33Å; I514-P643 VanDerWaalsContact CD1-O 3.26Å; I514-P643 WeakPolarHBondContact CD1-O 3.16Å
644	I	70.8	Confident	86.5	Confident	30 Å²	30	29 Å²	29	15%	0.154	17%	0.169	C	C	.	.	S	Bend	trans	-80.9	126.7	178.5	-49.9	-177.8	0	0	0	108.6	E586 I589 L642 T646	E586-I644 HydrophobicContact CB-CD1 4.07Å; I589-I644 HydrophobicContact CD1-CB 4.27Å; I589-I644 HydrophobicContact CD1-CD1 4.29Å; L642-I644 PolarHBondContact O-N 2.75Å; I644-T646 HydrophobicContact CB-CG2 4.03Å; I644-T646 HydrophobicContact CG2-CG2 3.79Å; I644-T646 WeakPolarHBondContact O-CG2 3.27Å; I644-T646 PolarHBondContact O-N 2.7Å; I644-T646 PolarHBondContact O-OG1 2.76Å
645	S	62.6	Low	86.3	Confident	122 Å²	122	29.1 Å²	29.1	85%	0.853	17%	0.171	S	C	*	.			trans	-64.5	96.1	-179.9	46	0	0	0	0	111.5
646	T	67.7	Low	86.2	Confident	42 Å²	42	29.7 Å²	29.7	26%	0.258	18%	0.177	S	C	.	.			trans	-132.6	151.9	-165.7	51.5	0	0	0	0	112.7	I589 I644 L648	I589-T646 HydrophobicContact CB-CG2 4.35Å; I589-T646 HydrophobicContact CD1-CG2 4.05Å; I589-T646 HydrophobicContact CG2-CG2 3.66Å; I644-T646 HydrophobicContact CB-CG2 4.03Å; I644-T646 HydrophobicContact CG2-CG2 3.79Å; I644-T646 WeakPolarHBondContact O-CG2 3.27Å; I644-T646 PolarHBondContact O-N 2.7Å; I644-T646 PolarHBondContact O-OG1 2.76Å; T646-L648 PolarHBondContact O-N 2.98Å
647	N	82.5	Confident	86.2	Confident	93 Å²	93	29.9 Å²	29.9	50%	0.497	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-5.3	173.1	-70.1	-45.5	0	0	0	113.2	S649 K650 T651 F798	N647-S649 PolarHBondContact O-N 3.17Å; N647-K650 WeakPolarHBondContact O-CB 3.31Å; N647-K650 PolarHBondContact O-N 2.84Å; N647-K650 VanDerWaalsContact O-N 3.11Å; N647-T651 PolarHBondContact O-N 3.49Å; N647-T651 PolarHBondContact O-OG1 2.89Å; N647-F798 WeakPolarHBondContact OD1-CE2 3.43Å; N647-F798 VanDerWaalsContact OD1-CZ 3.3Å; N647-F798 WeakPolarHBondContact OD1-CZ 3.07Å
648	L	88.6	Confident	86.2	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-51.8	-52	-173.7	-178.9	61.6	0	0	0	112.7	I589 L596 L639 I640 T646 K650 T651 I652	I589-L648 HydrophobicContact CG1-CD2 4.32Å; I589-L648 HydrophobicContact CG2-CB 4.06Å; I589-L648 HydrophobicContact CG2-CD2 4.06Å; I589-L648 HydrophobicContact CG2-CG 4.48Å; L596-L648 HydrophobicContact CD1-CD1 3.89Å; L596-L648 HydrophobicContact CD2-CD1 4.07Å; L639-L648 HydrophobicContact CB-CD2 3.8Å; I640-L648 HydrophobicContact CB-CD2 4.3Å; T646-L648 PolarHBondContact O-N 2.98Å; L648-K650 VanDerWaalsContact C-N 3.29Å; L648-K650 PolarHBondContact O-N 2.94Å; L648-T651 PolarHBondContact O-N 3.45Å; L648-I652 HydrophobicContact CD1-CD1 3.66Å; L648-I652 HydrophobicContact CD1-CG1 4.14Å; L648-I652 HydrophobicContact CD2-CD1 4.49Å; L648-I652 HydrophobicContact CG-CD1 3.69Å; L648-I652 WeakPolarHBondContact O-CB 3.49Å; L648-I652 VanDerWaalsContact O-CG1 3.31Å; L648-I652 WeakPolarHBondContact O-CG1 3.26Å; L648-I652 PolarHBondContact O-N 3.26Å
649	S	88.8	Confident	86.2	Confident	8 Å²	8	33.4 Å²	33.4	6%	0.056	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-36	-179.4	-49.9	0	0	0	0	113	I640 N647 V653	I640-S649 WeakPolarHBondContact CG1-OG 3.4Å; N647-S649 PolarHBondContact O-N 3.17Å; S649-V653 WeakPolarHBondContact O-CG2 3.24Å; S649-V653 PolarHBondContact O-N 3.43Å
650	K	87.9	Confident	86.3	Confident	72 Å²	72	34.3 Å²	34.3	31%	0.313	20%	0.196	S	C	.	.	H	α-helix	trans	-68.2	-50.4	174.9	179.1	177.2	179.5	-62	0	110.5	N647 L648 I652 V653 D654 F798 I802	N647-K650 WeakPolarHBondContact O-CB 3.31Å; N647-K650 PolarHBondContact O-N 2.84Å; N647-K650 VanDerWaalsContact O-N 3.11Å; L648-K650 VanDerWaalsContact C-N 3.29Å; L648-K650 PolarHBondContact O-N 2.94Å; K650-I652 PolarHBondContact O-N 3.14Å; K650-V653 PolarHBondContact O-N 3.45Å; K650-V653 VanDerWaalsContact O-N 3.13Å; K650-D654 WeakPolarHBondContact CG-OD2 3.46Å; K650-D654 IonicContact NZ-OD2 2.69Å; K650-D654 PolarHBondContact NZ-OD2 2.98Å; K650-D654 PolarHBondContact O-N 3.42Å; K650-F798 HydrophobicContact CB-CE1 4.41Å; K650-F798 HydrophobicContact CB-CE2 4.39Å; K650-F798 HydrophobicContact CB-CZ 3.87Å; K650-F798 HydrophobicContact CD-CD2 4.01Å; K650-F798 HydrophobicContact CD-CE2 3.41Å; K650-F798 VanDerWaalsContact CD-CE2 3.41Å; K650-F798 HydrophobicContact CD-CZ 3.79Å; K650-F798 HydrophobicContact CG-CZ 4.46Å; K650-I802 HydrophobicContact CB-CD1 3.89Å; K650-I802 HydrophobicContact CB-CG1 3.94Å; K650-I802 HydrophobicContact CG-CG1 4.33Å
651	T	89.8	Confident	86.5	Confident	37 Å²	37	34.2 Å²	34.2	23%	0.227	20%	0.195	C	C	.	.	H	α-helix	trans	-64.5	-38	-177.4	-54.9	0	0	0	0	112.3	L596 N647 L648 V653 D654 I655	L596-T651 HydrophobicContact CD1-CG2 3.51Å; N647-T651 PolarHBondContact O-N 3.49Å; N647-T651 PolarHBondContact O-OG1 2.89Å; L648-T651 PolarHBondContact O-N 3.45Å; T651-V653 VanDerWaalsContact C-N 3.3Å; T651-V653 PolarHBondContact O-N 3.38Å; T651-D654 PolarHBondContact O-N 2.93Å; T651-I655 HydrophobicContact CG2-CD1 3.52Å; T651-I655 HydrophobicContact CG2-CG1 4.2Å; T651-I655 VanDerWaalsContact O-CB 3.31Å; T651-I655 WeakPolarHBondContact O-CB 3.44Å; T651-I655 VanDerWaalsContact O-CG1 3.24Å; T651-I655 WeakPolarHBondContact O-CG1 3.26Å; T651-I655 PolarHBondContact O-N 3.35Å
652	I	92.2	Very high	86.8	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-59.9	-38.8	172.8	-75.1	168.6	0	0	0	111.9	L596 I636 I640 L648 K650 F657 M658	L596-I652 HydrophobicContact CD2-CG1 4.34Å; I636-I652 HydrophobicContact CG2-CD1 3.68Å; I636-I652 HydrophobicContact CG2-CG1 4.39Å; I640-I652 HydrophobicContact CB-CD1 4.45Å; I640-I652 HydrophobicContact CD1-CD1 3.95Å; I640-I652 HydrophobicContact CG1-CD1 4.48Å; L648-I652 HydrophobicContact CD1-CD1 3.66Å; L648-I652 HydrophobicContact CD1-CG1 4.14Å; L648-I652 HydrophobicContact CD2-CD1 4.49Å; L648-I652 HydrophobicContact CG-CD1 3.69Å; L648-I652 WeakPolarHBondContact O-CB 3.49Å; L648-I652 VanDerWaalsContact O-CG1 3.31Å; L648-I652 WeakPolarHBondContact O-CG1 3.26Å; L648-I652 PolarHBondContact O-N 3.26Å; K650-I652 PolarHBondContact O-N 3.14Å; I652-F657 HydrophobicContact CG2-CB 4Å; I652-F657 HydrophobicContact CG2-CD1 4.11Å; I652-F657 HydrophobicContact CG2-CG 4.31Å; I652-F657 VanDerWaalsContact O-CB 3.28Å; I652-F657 WeakPolarHBondContact O-CB 3.49Å; I652-F657 PolarHBondContact O-N 3.44Å; I652-F657 VanDerWaalsContact O-N 3.15Å; I652-M658 HydrophobicContact CG2-CG 4.31Å
653	V	91.7	Very high	87.2	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-75	-50.3	176.6	173.2	0	0	0	0	110.6	S649 K650 T651 I655 G656 I685 I802 N805 H810	S649-V653 WeakPolarHBondContact O-CG2 3.24Å; S649-V653 PolarHBondContact O-N 3.43Å; K650-V653 PolarHBondContact O-N 3.45Å; K650-V653 VanDerWaalsContact O-N 3.13Å; T651-V653 VanDerWaalsContact C-N 3.3Å; T651-V653 PolarHBondContact O-N 3.38Å; V653-I655 VanDerWaalsContact C-N 3.28Å; V653-I655 PolarHBondContact O-N 2.89Å; V653-G656 PolarHBondContact O-N 3Å; V653-I685 HydrophobicContact CG2-CD1 4.15Å; V653-I802 HydrophobicContact CB-CG2 4.38Å; V653-I802 HydrophobicContact CG2-CG2 3.9Å; V653-N805 HydrophobicContact CG1-CB 3.52Å; V653-H810 PolarHBondContact O-CE1 3.42Å; V653-H810 PolarHBondContact O-NE2 3.4Å
654	D	90.7	Very high	88.2	Confident	78 Å²	78	35.6 Å²	35.6	42%	0.417	20%	0.196	S	C	.	.	H	α-helix	trans	-60.9	-31.7	-177.1	-67.5	-12.7	0	0	0	114	K650 T651 G656 N805	K650-D654 WeakPolarHBondContact CG-OD2 3.46Å; K650-D654 IonicContact NZ-OD2 2.69Å; K650-D654 PolarHBondContact NZ-OD2 2.98Å; K650-D654 PolarHBondContact O-N 3.42Å; T651-D654 PolarHBondContact O-N 2.93Å; D654-G656 VanDerWaalsContact C-N 3.3Å; D654-N805 PolarHBondContact OD1-ND2 3.36Å
655	I	92.8	Very high	89.3	Confident	38 Å²	38	34.1 Å²	34.1	20%	0.195	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-17.4	177.1	-71	174.4	0	0	0	112.3	L596 D597 H600 T651 V653	L596-I655 HydrophobicContact CB-CD1 3.66Å; D597-I655 WeakPolarHBondContact OD1-CD1 3.5Å; H600-I655 HydrophobicContact CB-CG2 3.88Å; H600-I655 PolarHBondContact CE1-O 2.83Å; H600-I655 VanDerWaalsContact ND1-CG2 3.3Å; H600-I655 WeakPolarHBondContact ND1-CG2 3.43Å; H600-I655 PolarHBondContact ND1-O 3.08Å; T651-I655 HydrophobicContact CG2-CD1 3.52Å; T651-I655 HydrophobicContact CG2-CG1 4.2Å; T651-I655 VanDerWaalsContact O-CB 3.31Å; T651-I655 WeakPolarHBondContact O-CB 3.44Å; T651-I655 VanDerWaalsContact O-CG1 3.24Å; T651-I655 WeakPolarHBondContact O-CG1 3.26Å; T651-I655 PolarHBondContact O-N 3.35Å; V653-I655 VanDerWaalsContact C-N 3.28Å; V653-I655 PolarHBondContact O-N 2.89Å
656	G	92.9	Very high	90.6	Very high	13 Å²	13	29.6 Å²	29.6	13%	0.134	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	11.7	-176.4	0	0	0	0	0	115.1	H600 V653 D654 M658 K659 T660 H810	H600-G656 VanDerWaalsContact CE1-C 3.48Å; H600-G656 PolarHBondContact NE2-O 2.85Å; V653-G656 PolarHBondContact O-N 3Å; D654-G656 VanDerWaalsContact C-N 3.3Å; G656-M658 VanDerWaalsContact C-N 3.28Å; G656-M658 PolarHBondContact O-N 3.41Å; G656-K659 WeakPolarHBondContact O-CB 3.28Å; G656-K659 PolarHBondContact O-N 3.12Å; G656-K659 VanDerWaalsContact O-N 3.1Å; G656-T660 PolarHBondContact O-N 2.85Å; G656-H810 WeakPolarHBondContact CA-NE2 3.33Å
657	F	95	Very high	91.6	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.018	17%	0.171	C	C	.	.	H	α-helix	trans	-57.8	-41.4	-177.1	-173.6	-80.6	0	0	0	112.2	H600 L603 I632 L633 I636 I652 K659 T660 S661 I681	H600-F657 HydrophobicContact CB-CD2 3.98Å; H600-F657 AromaticContact CD2-CD2 3.93Å; L603-F657 HydrophobicContact CB-CE2 4.49Å; L603-F657 HydrophobicContact CD2-CD2 4.17Å; L603-F657 HydrophobicContact CD2-CE1 4.1Å; L603-F657 HydrophobicContact CD2-CE2 3.64Å; L603-F657 HydrophobicContact CD2-CZ 3.6Å; I632-F657 HydrophobicContact CG2-CE2 4.13Å; I632-F657 HydrophobicContact CG2-CZ 4.31Å; L633-F657 HydrophobicContact CD2-CE1 4.02Å; L633-F657 HydrophobicContact CD2-CZ 4.09Å; I636-F657 HydrophobicContact CB-CE1 4.15Å; I636-F657 HydrophobicContact CB-CZ 3.85Å; I636-F657 HydrophobicContact CG1-CE1 4.39Å; I636-F657 HydrophobicContact CG1-CE2 3.92Å; I636-F657 HydrophobicContact CG1-CZ 3.68Å; I636-F657 HydrophobicContact CG2-CD1 4.24Å; I636-F657 HydrophobicContact CG2-CE1 3.69Å; I636-F657 HydrophobicContact CG2-CZ 3.86Å; I652-F657 HydrophobicContact CG2-CB 4Å; I652-F657 HydrophobicContact CG2-CD1 4.11Å; I652-F657 HydrophobicContact CG2-CG 4.31Å; I652-F657 VanDerWaalsContact O-CB 3.28Å; I652-F657 WeakPolarHBondContact O-CB 3.49Å; I652-F657 PolarHBondContact O-N 3.44Å; I652-F657 VanDerWaalsContact O-N 3.15Å; F657-K659 VanDerWaalsContact C-N 3.35Å; F657-K659 PolarHBondContact O-N 2.9Å; F657-T660 PolarHBondContact O-N 2.92Å; F657-S661 WeakPolarHBondContact CD1-OG 3.29Å; F657-S661 WeakPolarHBondContact CE1-OG 3.47Å; F657-S661 WeakPolarHBondContact O-CB 3.4Å; F657-S661 PolarHBondContact O-N 2.94Å; F657-S661 PolarHBondContact O-OG 3.13Å; F657-I681 HydrophobicContact CE1-CD1 4.11Å
658	M	94.5	Very high	92	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-64.4	-35.6	177.7	-84.3	-53.2	-48.6	0	0	113.3	I652 G656 S661 M662 V678 I681 I682 I685 L806	I652-M658 HydrophobicContact CG2-CG 4.31Å; G656-M658 VanDerWaalsContact C-N 3.28Å; G656-M658 PolarHBondContact O-N 3.41Å; M658-S661 WeakPolarHBondContact O-CB 3.31Å; M658-S661 PolarHBondContact O-N 2.59Å; M658-M662 HydrophobicContact CE-CG 4.39Å; M658-M662 HydrophobicContact CE-SD 4.44Å; M658-M662 WeakPolarHBondContact O-CG 3.46Å; M658-M662 PolarHBondContact O-N 3.04Å; M658-V678 HydrophobicContact CE-CG1 4.2Å; M658-I681 HydrophobicContact CG-CG2 4.42Å; M658-I681 HydrophobicContact SD-CB 4.1Å; M658-I681 HydrophobicContact SD-CG2 3.33Å; M658-I681 WeakPolarHBondContact SD-CG2 3.39Å; M658-I682 HydrophobicContact CE-CD1 3.8Å; M658-I682 HydrophobicContact CE-CG1 3.42Å; M658-I682 VanDerWaalsContact CE-CG1 3.42Å; M658-I682 HydrophobicContact SD-CG1 4.37Å; M658-I685 HydrophobicContact CG-CD1 3.96Å; M658-I685 HydrophobicContact SD-CD1 4.28Å; M658-L806 HydrophobicContact CB-CD1 4.08Å; M658-L806 HydrophobicContact CG-CD1 4.09Å
659	K	93.2	Very high	91.8	Very high	90 Å²	90	29.5 Å²	29.5	39%	0.391	16%	0.157	S	C	.	.	H	α-helix	trans	-64.2	-50.7	176.8	-179	176.6	176.8	173.3	0	111.1	G656 F657 S661 M662 E663	G656-K659 WeakPolarHBondContact O-CB 3.28Å; G656-K659 PolarHBondContact O-N 3.12Å; G656-K659 VanDerWaalsContact O-N 3.1Å; F657-K659 VanDerWaalsContact C-N 3.35Å; F657-K659 PolarHBondContact O-N 2.9Å; K659-S661 PolarHBondContact O-N 3.08Å; K659-M662 PolarHBondContact O-N 3.28Å; K659-M662 VanDerWaalsContact O-N 3.15Å; K659-E663 VanDerWaalsContact CE-OE1 3.26Å; K659-E663 WeakPolarHBondContact CE-OE1 3.32Å; K659-E663 WeakPolarHBondContact O-CG 3.31Å; K659-E663 PolarHBondContact O-N 3.35Å
660	T	94.6	Very high	91.6	Very high	19 Å²	19	33.6 Å²	33.6	12%	0.117	17%	0.171	C	C	.	.	H	α-helix	trans	-61	-34.5	174.9	-56.5	0	0	0	0	112.3	H600 L603 K604 G656 F657 E663 L664	H600-T660 WeakPolarHBondContact NE2-CB 3.45Å; H600-T660 PolarHBondContact NE2-OG1 3.36Å; L603-T660 HydrophobicContact CD2-CG2 4.28Å; L603-T660 HydrophobicContact CG-CG2 4.34Å; K604-T660 HydrophobicContact CG-CG2 4.08Å; G656-T660 PolarHBondContact O-N 2.85Å; F657-T660 PolarHBondContact O-N 2.92Å; T660-E663 WeakPolarHBondContact CA-OE2 3.37Å; T660-E663 PolarHBondContact O-N 3.02Å; T660-L664 HydrophobicContact CG2-CD1 4.36Å; T660-L664 WeakPolarHBondContact O-CG 3.37Å; T660-L664 PolarHBondContact O-N 3.41Å
661	S	95.2	Very high	91.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-43.2	174.4	-61.6	0	0	0	0	112.3	F657 M658 K659 L664 F665	F657-S661 WeakPolarHBondContact CD1-OG 3.29Å; F657-S661 WeakPolarHBondContact CE1-OG 3.47Å; F657-S661 WeakPolarHBondContact O-CB 3.4Å; F657-S661 PolarHBondContact O-N 2.94Å; F657-S661 PolarHBondContact O-OG 3.13Å; M658-S661 WeakPolarHBondContact O-CB 3.31Å; M658-S661 PolarHBondContact O-N 2.59Å; K659-S661 PolarHBondContact O-N 3.08Å; S661-L664 PolarHBondContact O-N 3.11Å; S661-F665 VanDerWaalsContact O-CB 3.3Å; S661-F665 WeakPolarHBondContact O-CB 3.43Å; S661-F665 PolarHBondContact O-N 2.95Å
662	M	95.1	Very high	91.5	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.015	17%	0.165	C	C	.	.	H	α-helix	trans	-71	-33.3	175.5	-64.3	-55.7	-68.2	0	0	113	M658 K659 F665 A666 V678 I682 L812 W815 L819	M658-M662 HydrophobicContact CE-CG 4.39Å; M658-M662 HydrophobicContact CE-SD 4.44Å; M658-M662 WeakPolarHBondContact O-CG 3.46Å; M658-M662 PolarHBondContact O-N 3.04Å; K659-M662 PolarHBondContact O-N 3.28Å; K659-M662 VanDerWaalsContact O-N 3.15Å; M662-F665 WeakPolarHBondContact O-CB 3.26Å; M662-F665 PolarHBondContact O-N 2.96Å; M662-A666 PolarHBondContact O-N 3.25Å; M662-A666 VanDerWaalsContact O-N 3.13Å; M662-V678 HydrophobicContact SD-CG1 3.63Å; M662-I682 HydrophobicContact SD-CD1 4.08Å; M662-L812 HydrophobicContact CE-CD1 4.33Å; M662-L812 HydrophobicContact SD-CD1 4.46Å; M662-W815 HydrophobicContact CB-CD2 3.9Å; M662-W815 HydrophobicContact CB-CG 3.92Å; M662-W815 HydrophobicContact CB-CZ2 4.37Å; M662-W815 HydrophobicContact CE-CB 3.69Å; M662-W815 HydrophobicContact CE-CG 4.13Å; M662-W815 HydrophobicContact CG-CG 4.32Å; M662-L819 HydrophobicContact CE-CD1 4.45Å
663	E	93.8	Very high	91.5	Very high	83 Å²	83	36.6 Å²	36.6	39%	0.388	19%	0.186	S	C	.	.	H	α-helix	trans	-61.8	-44.1	172.3	-70.5	164.8	173.4	0	0	111.3	K659 T660 L667 W815	K659-E663 VanDerWaalsContact CE-OE1 3.26Å; K659-E663 WeakPolarHBondContact CE-OE1 3.32Å; K659-E663 WeakPolarHBondContact O-CG 3.31Å; K659-E663 PolarHBondContact O-N 3.35Å; T660-E663 WeakPolarHBondContact CA-OE2 3.37Å; T660-E663 PolarHBondContact O-N 3.02Å; E663-L667 WeakPolarHBondContact O-CB 3.36Å; E663-L667 PolarHBondContact O-N 3.44Å; E663-L667 VanDerWaalsContact O-N 3.16Å; E663-W815 HydrophobicContact CG-CH2 4.1Å; E663-W815 HydrophobicContact CG-CZ2 3.72Å
664	L	92.7	Very high	91.6	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.058	19%	0.186	C	C	.	.	H	α-helix	trans	-67.1	-43.6	173.7	-67.2	170.4	0	0	0	112	L603 L625 T660 S661 A666 L667 Y668 L674	L603-L664 HydrophobicContact CD1-CD1 3.5Å; L603-L664 HydrophobicContact CD2-CD1 4.14Å; L603-L664 HydrophobicContact CG-CD1 3.67Å; L625-L664 HydrophobicContact CD1-CD2 4.26Å; T660-L664 HydrophobicContact CG2-CD1 4.36Å; T660-L664 WeakPolarHBondContact O-CG 3.37Å; T660-L664 PolarHBondContact O-N 3.41Å; S661-L664 PolarHBondContact O-N 3.11Å; L664-A666 PolarHBondContact O-N 3.46Å; L664-L667 PolarHBondContact O-N 3.03Å; L664-Y668 HydrophobicContact CD2-CD2 4.44Å; L664-Y668 HydrophobicContact CD2-CE2 3.8Å; L664-Y668 WeakPolarHBondContact O-CD2 3.49Å; L664-Y668 PolarHBondContact O-N 3.45Å; L664-L674 HydrophobicContact CB-CD1 4.25Å; L664-L674 HydrophobicContact CB-CD2 4.42Å; L664-L674 WeakPolarHBondContact O-CD2 3.47Å
665	F	93.2	Very high	91.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-51.9	-44.3	178.5	-175.1	-73.8	0	0	0	111.6	S661 M662 H675 V678 L819 Y850 H853 I854	S661-F665 VanDerWaalsContact O-CB 3.3Å; S661-F665 WeakPolarHBondContact O-CB 3.43Å; S661-F665 PolarHBondContact O-N 2.95Å; M662-F665 WeakPolarHBondContact O-CB 3.26Å; M662-F665 PolarHBondContact O-N 2.96Å; F665-H675 AromaticContact CD1-CD2 3.9Å; F665-H675 HydrophobicContact CD2-CB 4.22Å; F665-H675 AromaticContact CD2-CD2 3.52Å; F665-H675 HydrophobicContact CE2-CB 3.75Å; F665-H675 AromaticContact CE2-CD2 3.76Å; F665-H675 AromaticContact CG-CD2 3.6Å; F665-H675 HydrophobicContact CZ-CB 4.23Å; F665-H675 PolarHBondContact O-NE2 2.62Å; F665-V678 HydrophobicContact CD2-CB 3.84Å; F665-V678 HydrophobicContact CD2-CG1 3.82Å; F665-V678 HydrophobicContact CD2-CG2 4.38Å; F665-V678 HydrophobicContact CE2-CB 4.4Å; F665-V678 HydrophobicContact CE2-CG1 4.41Å; F665-L819 HydrophobicContact CD1-CD1 3.72Å; F665-L819 HydrophobicContact CE1-CD1 3.97Å; F665-Y850 HydrophobicContact CD1-CD1 4.22Å; F665-Y850 HydrophobicContact CD1-CG 4.33Å; F665-Y850 HydrophobicContact CE1-CD1 4.06Å; F665-Y850 HydrophobicContact CE1-CD2 4.35Å; F665-Y850 AromaticContact CE1-CG 3.71Å; F665-Y850 HydrophobicContact CE1-CG 3.71Å; F665-Y850 HydrophobicContact CZ-CG 4.44Å; F665-H853 HydrophobicContact CE2-CB 4.22Å; F665-H853 HydrophobicContact CZ-CB 3.88Å; F665-I854 HydrophobicContact CE1-CD1 3.53Å; F665-I854 HydrophobicContact CE1-CG1 3.93Å; F665-I854 HydrophobicContact CZ-CD1 3.8Å; F665-I854 HydrophobicContact CZ-CG1 4.15Å
666	A	90.2	Very high	91.8	Very high	27 Å²	27	32.6 Å²	32.6	22%	0.223	16%	0.164	C	C	.	.	H	α-helix	trans	-71.2	-37.7	175	0	0	0	0	0	113.7	M662 L664 Y668 W815 L819	M662-A666 PolarHBondContact O-N 3.25Å; M662-A666 VanDerWaalsContact O-N 3.13Å; L664-A666 PolarHBondContact O-N 3.46Å; A666-Y668 VanDerWaalsContact C-N 3.33Å; A666-Y668 PolarHBondContact O-N 2.86Å; A666-W815 HydrophobicContact CB-CE3 4.47Å; A666-W815 HydrophobicContact CB-CH2 4.33Å; A666-W815 HydrophobicContact CB-CZ3 3.66Å; A666-L819 HydrophobicContact CB-CD1 4.17Å; A666-L819 HydrophobicContact CB-CD2 3.77Å
667	L	88.9	Confident	92	Very high	101 Å²	101	33 Å²	33	53%	0.529	16%	0.162	S	C	.	.	H	α-helix	trans	-70.5	-26.4	-176.9	-173.8	61.9	0	0	0	113.4	E663 L664 P669	E663-L667 WeakPolarHBondContact O-CB 3.36Å; E663-L667 PolarHBondContact O-N 3.44Å; E663-L667 VanDerWaalsContact O-N 3.16Å; L664-L667 PolarHBondContact O-N 3.03Å; L667-P669 VanDerWaalsContact C-CD 3.43Å; L667-P669 VanDerWaalsContact O-CD 3.26Å; L667-P669 WeakPolarHBondContact O-CD 3.45Å
668	Y	89.2	Confident	92	Very high	8 Å²	8	32.9 Å²	32.9	3%	0.031	16%	0.161	C	C	.	.			trans	-118.1	70.2	-179.8	-58.6	-75.3	0	0	0	111.6	L621 P623 L625 R629 L664 A666 Y670 N671 L674 H675	L621-Y668 HydrophobicContact CD1-CD1 4.45Å; L621-Y668 HydrophobicContact CD2-CD1 3.98Å; L621-Y668 HydrophobicContact CD2-CE1 4.26Å; P623-Y668 VanDerWaalsContact O-CE1 3.29Å; P623-Y668 WeakPolarHBondContact O-CE1 3.08Å; P623-Y668 PolarHBondContact O-OH 3.32Å; L625-Y668 HydrophobicContact CB-CD1 4.14Å; L625-Y668 HydrophobicContact CB-CD2 4.12Å; L625-Y668 HydrophobicContact CB-CE1 4Å; L625-Y668 HydrophobicContact CB-CE2 3.97Å; L625-Y668 HydrophobicContact CB-CG 4.21Å; L625-Y668 HydrophobicContact CD1-CD2 3.7Å; L625-Y668 HydrophobicContact CD1-CE2 3.55Å; L625-Y668 HydrophobicContact CG-CD2 4.39Å; L625-Y668 HydrophobicContact CG-CE2 4.36Å; R629-Y668 PolarHBondContact NH1-OH 3.21Å; R629-Y668 VanDerWaalsContact NH1-OH 3.16Å; L664-Y668 HydrophobicContact CD2-CD2 4.44Å; L664-Y668 HydrophobicContact CD2-CE2 3.8Å; L664-Y668 WeakPolarHBondContact O-CD2 3.49Å; L664-Y668 PolarHBondContact O-N 3.45Å; A666-Y668 VanDerWaalsContact C-N 3.33Å; A666-Y668 PolarHBondContact O-N 2.86Å; Y668-Y670 PolarHBondContact O-N 3.14Å; Y668-N671 PolarHBondContact O-N 3.35Å; Y668-N671 VanDerWaalsContact O-N 3.1Å; Y668-L674 HydrophobicContact CD2-CD2 4.01Å; Y668-L674 HydrophobicContact CG-CD2 4.33Å; Y668-H675 PolarHBondContact O-CE1 3.13Å; Y668-H675 PolarHBondContact O-NE2 2.7Å
669	P	85.6	Confident	92	Very high	24 Å²	24	32.8 Å²	32.8	16%	0.156	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-10.3	-170.2	24.5	-35.6	0	0	0	115.8	L667 G849 Y850	L667-P669 VanDerWaalsContact C-CD 3.43Å; L667-P669 VanDerWaalsContact O-CD 3.26Å; L667-P669 WeakPolarHBondContact O-CD 3.45Å; P669-G849 WeakPolarHBondContact O-CA 3.05Å; P669-G849 PolarHBondContact O-N 2.87Å; P669-Y850 HydrophobicContact CB-CD1 4.22Å; P669-Y850 HydrophobicContact CB-CE1 3.76Å
670	Y	83.8	Confident	92	Very high	94 Å²	94	30.3 Å²	30.3	37%	0.369	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	10.1	179.4	-54.9	-66.6	0	0	0	114.1	H618 Y668 T672 V846	H618-Y670 HydrophobicContact CB-CE2 3.94Å; Y668-Y670 PolarHBondContact O-N 3.14Å; Y670-T672 PolarHBondContact O-N 3.5Å; Y670-V846 HydrophobicContact CE1-CG1 3.82Å; Y670-V846 VanDerWaalsContact OH-CG1 3.25Å; Y670-V846 WeakPolarHBondContact OH-CG1 3.44Å
671	N	87.8	Confident	92	Very high	42 Å²	42	29.4 Å²	29.4	23%	0.225	15%	0.146	C	C	.	.			trans	-95.9	84.3	177.9	-165.8	-48.4	0	0	0	111.6	L625 Y668 F673 L674 H675	L625-N671 WeakPolarHBondContact CD2-ND2 3.15Å; Y668-N671 PolarHBondContact O-N 3.35Å; Y668-N671 VanDerWaalsContact O-N 3.1Å; N671-F673 VanDerWaalsContact C-N 3.25Å; N671-F673 PolarHBondContact O-N 2.98Å; N671-F673 PolarHBondContact OD1-N 3.38Å; N671-L674 HydrophobicContact CB-CB 4.05Å; N671-L674 HydrophobicContact CB-CD2 4.35Å; N671-L674 WeakPolarHBondContact O-CB 3.28Å; N671-L674 PolarHBondContact O-N 3Å; N671-L674 WeakPolarHBondContact OD1-CB 3.4Å; N671-L674 PolarHBondContact OD1-N 3.01Å; N671-H675 PolarHBondContact O-CE1 3Å; N671-H675 VanDerWaalsContact O-CG 3.3Å; N671-H675 PolarHBondContact O-N 3.19Å; N671-H675 VanDerWaalsContact O-N 3.13Å; N671-H675 PolarHBondContact O-ND1 3.39Å; N671-H675 VanDerWaalsContact O-ND1 3.14Å
672	T	88.3	Confident	91.9	Very high	30 Å²	30	29.4 Å²	29.4	18%	0.184	15%	0.146	C	C	.	.	H	α-helix	trans	-59.3	-31.7	-178.1	52.4	0	0	0	0	113.7	Y670 H675 H676	Y670-T672 PolarHBondContact O-N 3.5Å; T672-H675 PolarHBondContact O-N 3.18Å; T672-H676 VanDerWaalsContact O-CB 3.29Å; T672-H676 WeakPolarHBondContact O-CB 3.35Å; T672-H676 PolarHBondContact O-N 2.67Å
673	F	92.4	Very high	91.8	Very high	100 Å²	100	31.5 Å²	31.5	44%	0.439	16%	0.155	S	C	.	.	H	α-helix	trans	-65.3	-45.2	175.9	-63.6	-75.8	0	0	0	112.1	L630 N671 H675 H676 Y677	L630-F673 HydrophobicContact CD1-CB 3.87Å; L630-F673 HydrophobicContact CD2-CB 4.04Å; N671-F673 VanDerWaalsContact C-N 3.25Å; N671-F673 PolarHBondContact O-N 2.98Å; N671-F673 PolarHBondContact OD1-N 3.38Å; F673-H675 VanDerWaalsContact C-N 3.32Å; F673-H675 PolarHBondContact O-N 3.49Å; F673-H676 PolarHBondContact O-N 3.28Å; F673-Y677 HydrophobicContact CB-CE2 4.2Å; F673-Y677 WeakPolarHBondContact O-CD2 3.46Å; F673-Y677 PolarHBondContact O-N 2.97Å
674	L	93.8	Very high	91.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56.8	-46.8	171.5	161.3	68.3	0	0	0	110.8	L625 L630 L633 L664 Y668 N671 Y677 V678	L625-L674 HydrophobicContact CD1-CD2 4.48Å; L625-L674 HydrophobicContact CD2-CB 4.04Å; L625-L674 HydrophobicContact CD2-CD2 4.19Å; L630-L674 HydrophobicContact CD1-CB 4.26Å; L633-L674 HydrophobicContact CD1-CD1 3.38Å; L664-L674 HydrophobicContact CB-CD1 4.25Å; L664-L674 HydrophobicContact CB-CD2 4.42Å; L664-L674 WeakPolarHBondContact O-CD2 3.47Å; Y668-L674 HydrophobicContact CD2-CD2 4.01Å; Y668-L674 HydrophobicContact CG-CD2 4.33Å; N671-L674 HydrophobicContact CB-CB 4.05Å; N671-L674 HydrophobicContact CB-CD2 4.35Å; N671-L674 WeakPolarHBondContact O-CB 3.28Å; N671-L674 PolarHBondContact O-N 3Å; N671-L674 WeakPolarHBondContact OD1-CB 3.4Å; N671-L674 PolarHBondContact OD1-N 3.01Å; L674-Y677 PolarHBondContact O-N 3.12Å; L674-V678 HydrophobicContact CD1-CG2 3.92Å; L674-V678 VanDerWaalsContact O-CG2 3.31Å; L674-V678 WeakPolarHBondContact O-CG2 3.28Å; L674-V678 PolarHBondContact O-N 2.99Å; L674-V678 VanDerWaalsContact O-N 3.07Å
675	H	94.1	Very high	91.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.5	-44.5	-178.7	-54.2	144.3	0	0	0	111.8	F665 Y668 N671 T672 F673 V678 T679 Y850 H853	F665-H675 AromaticContact CD1-CD2 3.9Å; F665-H675 HydrophobicContact CD2-CB 4.22Å; F665-H675 AromaticContact CD2-CD2 3.52Å; F665-H675 HydrophobicContact CE2-CB 3.75Å; F665-H675 AromaticContact CE2-CD2 3.76Å; F665-H675 AromaticContact CG-CD2 3.6Å; F665-H675 HydrophobicContact CZ-CB 4.23Å; F665-H675 PolarHBondContact O-NE2 2.62Å; Y668-H675 PolarHBondContact O-CE1 3.13Å; Y668-H675 PolarHBondContact O-NE2 2.7Å; N671-H675 PolarHBondContact O-CE1 3Å; N671-H675 VanDerWaalsContact O-CG 3.3Å; N671-H675 PolarHBondContact O-N 3.19Å; N671-H675 VanDerWaalsContact O-N 3.13Å; N671-H675 PolarHBondContact O-ND1 3.39Å; N671-H675 VanDerWaalsContact O-ND1 3.14Å; T672-H675 PolarHBondContact O-N 3.18Å; F673-H675 VanDerWaalsContact C-N 3.32Å; F673-H675 PolarHBondContact O-N 3.49Å; H675-V678 PolarHBondContact O-N 3.04Å; H675-T679 WeakPolarHBondContact O-CB 3.48Å; H675-T679 PolarHBondContact O-N 3.45Å; H675-T679 PolarHBondContact O-OG1 3.27Å; H675-Y850 AromaticContact CE1-CD1 3.98Å; H675-Y850 AromaticContact NE2-CD1 3.88Å; H675-H853 HydrophobicContact CB-CB 4.14Å
676	H	94.4	Very high	91.4	Very high	34 Å²	34	27.6 Å²	27.6	16%	0.157	14%	0.138	C	C	.	.	H	α-helix	trans	-55	-54.8	172.8	174.7	39.4	0	0	0	112.3	T672 F673 V678 T679 D680 H853	T672-H676 VanDerWaalsContact O-CB 3.29Å; T672-H676 WeakPolarHBondContact O-CB 3.35Å; T672-H676 PolarHBondContact O-N 2.67Å; F673-H676 PolarHBondContact O-N 3.28Å; H676-V678 VanDerWaalsContact C-N 3.35Å; H676-V678 PolarHBondContact O-N 2.98Å; H676-T679 PolarHBondContact O-N 3.16Å; H676-D680 IonicContact CE1-OD2 2.71Å; H676-D680 PolarHBondContact CE1-OD2 3.21Å; H676-D680 IonicContact CG-OD2 2.85Å; H676-D680 IonicContact ND1-OD1 2.74Å; H676-D680 IonicContact ND1-OD2 3.88Å; H676-D680 PolarHBondContact ND1-OD2 3.37Å; H676-D680 IonicContact NE2-OD2 3.86Å; H676-D680 WeakPolarHBondContact O-CB 3.17Å; H676-D680 VanDerWaalsContact O-CG 3.22Å; H676-D680 PolarHBondContact O-N 3.49Å; H676-H853 VanDerWaalsContact CA-CE1 3.45Å; H676-H853 WeakPolarHBondContact CA-CE1 3.42Å; H676-H853 PolarHBondContact N-CE1 3.15Å
677	Y	95.4	Very high	91.2	Very high	22 Å²	22	30.7 Å²	30.7	9%	0.086	15%	0.146	C	C	.	.	H	α-helix	trans	-61.7	-40	-179.2	-64.6	-51.2	0	0	0	112.9	L630 L633 Q634 A637 F673 L674 D680 I681	L630-Y677 HydrophobicContact CD1-CD2 3.76Å; L630-Y677 HydrophobicContact CD1-CE2 3.76Å; L630-Y677 HydrophobicContact CG-CD2 4.35Å; L630-Y677 HydrophobicContact CG-CE2 3.93Å; L633-Y677 HydrophobicContact CB-CD2 4.4Å; Q634-Y677 HydrophobicContact CB-CD1 4.33Å; Q634-Y677 HydrophobicContact CB-CD2 4.43Å; Q634-Y677 HydrophobicContact CB-CE1 3.85Å; Q634-Y677 HydrophobicContact CB-CE2 3.97Å; Q634-Y677 HydrophobicContact CG-CE1 3.83Å; A637-Y677 HydrophobicContact CB-CD1 4Å; A637-Y677 HydrophobicContact CB-CG 4.43Å; F673-Y677 HydrophobicContact CB-CE2 4.2Å; F673-Y677 WeakPolarHBondContact O-CD2 3.46Å; F673-Y677 PolarHBondContact O-N 2.97Å; L674-Y677 PolarHBondContact O-N 3.12Å; Y677-D680 PolarHBondContact O-N 3.01Å; Y677-I681 WeakPolarHBondContact O-CD1 3.42Å; Y677-I681 VanDerWaalsContact O-CG1 3.26Å; Y677-I681 WeakPolarHBondContact O-CG1 3.43Å; Y677-I681 PolarHBondContact O-N 3.22Å
678	V	96.3	Very high	90.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-69	-41.6	177.7	175.7	0	0	0	0	111.5	L633 M658 M662 F665 L674 H675 H676 D680 I681 I682	L633-V678 HydrophobicContact CD2-CG2 4.14Å; M658-V678 HydrophobicContact CE-CG1 4.2Å; M662-V678 HydrophobicContact SD-CG1 3.63Å; F665-V678 HydrophobicContact CD2-CB 3.84Å; F665-V678 HydrophobicContact CD2-CG1 3.82Å; F665-V678 HydrophobicContact CD2-CG2 4.38Å; F665-V678 HydrophobicContact CE2-CB 4.4Å; F665-V678 HydrophobicContact CE2-CG1 4.41Å; L674-V678 HydrophobicContact CD1-CG2 3.92Å; L674-V678 VanDerWaalsContact O-CG2 3.31Å; L674-V678 WeakPolarHBondContact O-CG2 3.28Å; L674-V678 PolarHBondContact O-N 2.99Å; L674-V678 VanDerWaalsContact O-N 3.07Å; H675-V678 PolarHBondContact O-N 3.04Å; H676-V678 VanDerWaalsContact C-N 3.35Å; H676-V678 PolarHBondContact O-N 2.98Å; V678-D680 VanDerWaalsContact C-N 3.29Å; V678-D680 PolarHBondContact O-N 3.43Å; V678-I681 PolarHBondContact O-N 2.89Å; V678-I682 HydrophobicContact CG1-CD1 4.12Å; V678-I682 WeakPolarHBondContact O-CD1 3.22Å; V678-I682 VanDerWaalsContact O-CG1 3.31Å; V678-I682 WeakPolarHBondContact O-CG1 3.39Å; V678-I682 PolarHBondContact O-N 3.41Å; V678-I682 VanDerWaalsContact O-N 3.14Å
679	T	94.3	Very high	90.4	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-58.5	-41.7	172.1	-63.9	0	0	0	0	111.3	H675 H676 I682 K683 H853 Q856 I857	H675-T679 WeakPolarHBondContact O-CB 3.48Å; H675-T679 PolarHBondContact O-N 3.45Å; H675-T679 PolarHBondContact O-OG1 3.27Å; H676-T679 PolarHBondContact O-N 3.16Å; T679-I682 PolarHBondContact O-N 3.42Å; T679-K683 HydrophobicContact CG2-CD 4.04Å; T679-K683 VanDerWaalsContact CG2-CE 3.46Å; T679-K683 HydrophobicContact CG2-CG 4.31Å; T679-K683 WeakPolarHBondContact O-CG 3.48Å; T679-K683 PolarHBondContact O-N 2.96Å; T679-H853 WeakPolarHBondContact OG1-CB 3.05Å; T679-H853 PolarHBondContact OG1-ND1 2.61Å; T679-H853 VanDerWaalsContact OG1-ND1 3.11Å; T679-Q856 HydrophobicContact CG2-CB 4.3Å; T679-I857 HydrophobicContact CG2-CG1 4.29Å
680	D	92.8	Very high	89.9	Confident	37 Å²	37	29.2 Å²	29.2	20%	0.198	14%	0.144	C	C	.	.	H	α-helix	trans	-73.1	-33.3	-177.2	-67.5	-10.3	0	0	0	112.9	H676 Y677 V678 I682 K683 S684	H676-D680 IonicContact CE1-OD2 2.71Å; H676-D680 PolarHBondContact CE1-OD2 3.21Å; H676-D680 IonicContact CG-OD2 2.85Å; H676-D680 IonicContact ND1-OD1 2.74Å; H676-D680 IonicContact ND1-OD2 3.88Å; H676-D680 PolarHBondContact ND1-OD2 3.37Å; H676-D680 IonicContact NE2-OD2 3.86Å; H676-D680 WeakPolarHBondContact O-CB 3.17Å; H676-D680 VanDerWaalsContact O-CG 3.22Å; H676-D680 PolarHBondContact O-N 3.49Å; Y677-D680 PolarHBondContact O-N 3.01Å; V678-D680 VanDerWaalsContact C-N 3.29Å; V678-D680 PolarHBondContact O-N 3.43Å; D680-I682 VanDerWaalsContact C-N 3.34Å; D680-K683 IonicContact OD1-NZ 3.44Å; D680-K683 PolarHBondContact OD1-NZ 3.42Å; D680-S684 VanDerWaalsContact O-CB 3.3Å; D680-S684 WeakPolarHBondContact O-CB 3.22Å; D680-S684 PolarHBondContact O-N 3.03Å; D680-S684 PolarHBondContact O-OG 3.05Å
681	I	94.4	Very high	89.4	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.9	-46.4	168.1	-65	160.3	0	0	0	109.8	L633 I636 A637 I640 F657 M658 Y677 V678 S684 I685	L633-I681 HydrophobicContact CD2-CD1 4.41Å; I636-I681 HydrophobicContact CG2-CD1 4.1Å; I636-I681 HydrophobicContact CG2-CG1 4.45Å; A637-I681 HydrophobicContact CB-CD1 4.15Å; A637-I681 HydrophobicContact CB-CG1 3.7Å; I640-I681 HydrophobicContact CD1-CG2 4.08Å; I640-I681 HydrophobicContact CG2-CB 4.29Å; I640-I681 HydrophobicContact CG2-CG1 4.06Å; I640-I681 HydrophobicContact CG2-CG2 4.23Å; F657-I681 HydrophobicContact CE1-CD1 4.11Å; M658-I681 HydrophobicContact CG-CG2 4.42Å; M658-I681 HydrophobicContact SD-CB 4.1Å; M658-I681 HydrophobicContact SD-CG2 3.33Å; M658-I681 WeakPolarHBondContact SD-CG2 3.39Å; Y677-I681 WeakPolarHBondContact O-CD1 3.42Å; Y677-I681 VanDerWaalsContact O-CG1 3.26Å; Y677-I681 WeakPolarHBondContact O-CG1 3.43Å; Y677-I681 PolarHBondContact O-N 3.22Å; V678-I681 PolarHBondContact O-N 2.89Å; I681-S684 PolarHBondContact O-N 3.33Å; I681-I685 HydrophobicContact CG2-CD1 3.94Å; I681-I685 WeakPolarHBondContact O-CG1 3.48Å; I681-I685 PolarHBondContact O-N 3.38Å
682	I	94.1	Very high	88.5	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65	-48.6	179.7	-61.9	161.5	0	0	0	111	M658 M662 V678 T679 D680 S684 I685 F686 L812 I857 L860	M658-I682 HydrophobicContact CE-CD1 3.8Å; M658-I682 HydrophobicContact CE-CG1 3.42Å; M658-I682 VanDerWaalsContact CE-CG1 3.42Å; M658-I682 HydrophobicContact SD-CG1 4.37Å; M662-I682 HydrophobicContact SD-CD1 4.08Å; V678-I682 HydrophobicContact CG1-CD1 4.12Å; V678-I682 WeakPolarHBondContact O-CD1 3.22Å; V678-I682 VanDerWaalsContact O-CG1 3.31Å; V678-I682 WeakPolarHBondContact O-CG1 3.39Å; V678-I682 PolarHBondContact O-N 3.41Å; V678-I682 VanDerWaalsContact O-N 3.14Å; T679-I682 PolarHBondContact O-N 3.42Å; D680-I682 VanDerWaalsContact C-N 3.34Å; I682-S684 PolarHBondContact O-N 3.48Å; I682-I685 PolarHBondContact O-N 2.9Å; I682-F686 HydrophobicContact CG2-CD2 3.99Å; I682-F686 HydrophobicContact CG2-CE2 3.98Å; I682-F686 WeakPolarHBondContact O-CD2 3.26Å; I682-F686 PolarHBondContact O-N 2.85Å; I682-F686 VanDerWaalsContact O-N 3.08Å; I682-L812 HydrophobicContact CD1-CD1 3.98Å; I682-L812 HydrophobicContact CG2-CD2 4.14Å; I682-I857 HydrophobicContact CD1-CD1 3.65Å; I682-I857 HydrophobicContact CD1-CG1 4.06Å; I682-I857 HydrophobicContact CD1-CG2 4.48Å; I682-I857 HydrophobicContact CG2-CG2 4.37Å; I682-L860 HydrophobicContact CG2-CD2 3.82Å
683	K	92.1	Very high	87.1	Confident	48 Å²	48	27.8 Å²	27.8	21%	0.209	14%	0.142	C	C	.	.	H	α-helix	trans	-51.4	-45.8	174.1	-75	169.9	-179.8	159.6	0	111	T679 D680 F686 K687 L860	T679-K683 HydrophobicContact CG2-CD 4.04Å; T679-K683 VanDerWaalsContact CG2-CE 3.46Å; T679-K683 HydrophobicContact CG2-CG 4.31Å; T679-K683 WeakPolarHBondContact O-CG 3.48Å; T679-K683 PolarHBondContact O-N 2.96Å; D680-K683 IonicContact OD1-NZ 3.44Å; D680-K683 PolarHBondContact OD1-NZ 3.42Å; K683-F686 PolarHBondContact O-N 2.92Å; K683-K687 WeakPolarHBondContact O-CB 3.31Å; K683-K687 PolarHBondContact O-N 3.44Å; K683-L860 HydrophobicContact CG-CD2 4.22Å
684	S	90.3	Very high	85.1	Confident	12 Å²	12	27.1 Å²	27.1	8%	0.084	14%	0.143	C	C	.	.	H	α-helix	trans	-67.7	-41.8	-179.7	-55.2	0	0	0	0	112.7	I640 D680 I681 I682 F686 K687 H688	I640-S684 WeakPolarHBondContact O-CB 3.35Å; D680-S684 VanDerWaalsContact O-CB 3.3Å; D680-S684 WeakPolarHBondContact O-CB 3.22Å; D680-S684 PolarHBondContact O-N 3.03Å; D680-S684 PolarHBondContact O-OG 3.05Å; I681-S684 PolarHBondContact O-N 3.33Å; I682-S684 PolarHBondContact O-N 3.48Å; S684-F686 VanDerWaalsContact C-N 3.32Å; S684-F686 PolarHBondContact O-N 3.36Å; S684-K687 PolarHBondContact O-N 3.09Å; S684-H688 PolarHBondContact O-CD2 3Å; S684-H688 PolarHBondContact O-N 3.43Å
685	I	91.1	Very high	82.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.6	-45	174.8	-67.5	164.5	0	0	0	110.8	I640 V653 M658 I681 I682 S689 I802 I803 L806	I640-I685 HydrophobicContact CD1-CD1 4.18Å; I640-I685 HydrophobicContact CD1-CG1 3.51Å; V653-I685 HydrophobicContact CG2-CD1 4.15Å; M658-I685 HydrophobicContact CG-CD1 3.96Å; M658-I685 HydrophobicContact SD-CD1 4.28Å; I681-I685 HydrophobicContact CG2-CD1 3.94Å; I681-I685 WeakPolarHBondContact O-CG1 3.48Å; I681-I685 PolarHBondContact O-N 3.38Å; I682-I685 PolarHBondContact O-N 2.9Å; I685-S689 VanDerWaalsContact O-CB 3.24Å; I685-S689 WeakPolarHBondContact O-CB 3.42Å; I685-S689 PolarHBondContact O-N 3.29Å; I685-S689 PolarHBondContact O-OG 3.44Å; I685-I802 HydrophobicContact CG2-CG2 3.84Å; I685-I803 HydrophobicContact CG2-CD1 3.99Å; I685-L806 HydrophobicContact CD1-CD2 4.39Å; I685-L806 HydrophobicContact CG2-CD2 3.95Å
686	F	89.9	Confident	79.6	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.9	-40.9	178	-85.4	-108.4	0	0	0	112.2	I682 K683 S684 S689 G690 L691 V692 I803 L806 L812 L860 I861 A864 L873	I682-F686 HydrophobicContact CG2-CD2 3.99Å; I682-F686 HydrophobicContact CG2-CE2 3.98Å; I682-F686 WeakPolarHBondContact O-CD2 3.26Å; I682-F686 PolarHBondContact O-N 2.85Å; I682-F686 VanDerWaalsContact O-N 3.08Å; K683-F686 PolarHBondContact O-N 2.92Å; S684-F686 VanDerWaalsContact C-N 3.32Å; S684-F686 PolarHBondContact O-N 3.36Å; F686-S689 PolarHBondContact O-N 2.93Å; F686-G690 PolarHBondContact O-N 3.42Å; F686-L691 HydrophobicContact CD1-CB 4.14Å; F686-L691 HydrophobicContact CD1-CD1 3.81Å; F686-L691 HydrophobicContact CE1-CD1 4.07Å; F686-L691 HydrophobicContact CG-CD1 4.42Å; F686-L691 PolarHBondContact O-N 3.29Å; F686-L691 VanDerWaalsContact O-N 3.12Å; F686-V692 HydrophobicContact CB-CG2 4.38Å; F686-I803 HydrophobicContact CD2-CD1 4.42Å; F686-I803 HydrophobicContact CE2-CD1 4.38Å; F686-L806 HydrophobicContact CD2-CD2 4.45Å; F686-L806 HydrophobicContact CE2-CD2 3.85Å; F686-L812 HydrophobicContact CE2-CD2 4.18Å; F686-L860 HydrophobicContact CB-CD1 4.22Å; F686-L860 HydrophobicContact CB-CD2 4.11Å; F686-L860 HydrophobicContact CB-CG 4.27Å; F686-L860 HydrophobicContact CD1-CD2 4.48Å; F686-L860 HydrophobicContact CD1-CG 4.27Å; F686-L860 HydrophobicContact CD2-CD2 3.97Å; F686-L860 HydrophobicContact CG-CD2 3.93Å; F686-L860 HydrophobicContact CG-CG 4.14Å; F686-I861 HydrophobicContact CE1-CG1 4.24Å; F686-I861 HydrophobicContact CZ-CG1 3.9Å; F686-A864 HydrophobicContact CD1-CB 3.7Å; F686-A864 HydrophobicContact CE1-CB 3.77Å; F686-L873 HydrophobicContact CE1-CD2 4.38Å
687	K	85.6	Confident	76.4	Confident	91 Å²	91	43.5 Å²	43.5	40%	0.396	23%	0.232	S	C	.	.	H	α-helix	trans	-59.7	-55.7	174.9	-170.9	-176.9	-175.1	-177.5	0	111.7	K683 S684 S689 G690 N694	K683-K687 WeakPolarHBondContact O-CB 3.31Å; K683-K687 PolarHBondContact O-N 3.44Å; S684-K687 PolarHBondContact O-N 3.09Å; K687-S689 PolarHBondContact O-N 3.32Å; K687-G690 PolarHBondContact O-N 3.21Å; K687-N694 WeakPolarHBondContact CE-OD1 3.48Å; K687-N694 PolarHBondContact NZ-OD1 3.24Å
688	H	81	Confident	73.2	Confident	66 Å²	66	47.5 Å²	47.5	31%	0.306	26%	0.255	S	S	.	.	H	α-helix	trans	-71.7	-16.9	-177.7	-61.7	-54.3	0	0	0	113.7	I640 S684 G690	I640-H688 PolarHBondContact O-CD2 2.97Å; I640-H688 VanDerWaalsContact O-CD2 3.29Å; I640-H688 PolarHBondContact O-NE2 3.24Å; S684-H688 PolarHBondContact O-CD2 3Å; S684-H688 PolarHBondContact O-N 3.43Å; H688-G690 VanDerWaalsContact C-N 3.26Å
689	S	82	Confident	69.9	Low	6 Å²	6	54 Å²	54	4%	0.042	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-4.5	167.9	-56.5	0	0	0	0	113.6	I685 F686 K687 L691	I685-S689 VanDerWaalsContact O-CB 3.24Å; I685-S689 WeakPolarHBondContact O-CB 3.42Å; I685-S689 PolarHBondContact O-N 3.29Å; I685-S689 PolarHBondContact O-OG 3.44Å; F686-S689 PolarHBondContact O-N 2.93Å; K687-S689 PolarHBondContact O-N 3.32Å; S689-L691 VanDerWaalsContact C-N 3.3Å; S689-L691 PolarHBondContact O-N 3.19Å
690	G	75	Confident	66.6	Low	31 Å²	31	57.3 Å²	57.3	32%	0.32	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	17.1	-179.8	0	0	0	0	0	114.5	F686 K687 H688 Y869	F686-G690 PolarHBondContact O-N 3.42Å; K687-G690 PolarHBondContact O-N 3.21Å; H688-G690 VanDerWaalsContact C-N 3.26Å; G690-Y869 VanDerWaalsContact O-CD2 3.31Å; G690-Y869 WeakPolarHBondContact O-CD2 3.2Å; G690-Y869 WeakPolarHBondContact O-CE2 3.21Å
691	L	73.5	Confident	63.5	Low	4 Å²	4	62 Å²	62	2%	0.021	35%	0.349	C	S	.	.	S	Bend	trans	-79.3	-24.8	-177.7	-81.7	163.3	0	0	0	113.4	F686 S689 I803 A864	F686-L691 HydrophobicContact CD1-CB 4.14Å; F686-L691 HydrophobicContact CD1-CD1 3.81Å; F686-L691 HydrophobicContact CE1-CD1 4.07Å; F686-L691 HydrophobicContact CG-CD1 4.42Å; F686-L691 PolarHBondContact O-N 3.29Å; F686-L691 VanDerWaalsContact O-N 3.12Å; S689-L691 VanDerWaalsContact C-N 3.3Å; S689-L691 PolarHBondContact O-N 3.19Å; L691-I803 HydrophobicContact CD1-CB 4.45Å; L691-I803 HydrophobicContact CD1-CD1 3.52Å; L691-I803 HydrophobicContact CD1-CG1 3.62Å; L691-I803 HydrophobicContact CD1-CG2 4.1Å; L691-A864 HydrophobicContact CB-CB 3.96Å; L691-A864 HydrophobicContact CD2-CB 4.3Å
692	V	68.3	Low	60.3	Low	27 Å²	27	68.9 Å²	68.9	16%	0.164	39%	0.386	C	S	.	.	S	Bend	trans	-134.7	131.2	-176.2	-174.9	0	0	0	0	108	F686 L860 A864	F686-V692 HydrophobicContact CB-CG2 4.38Å; V692-L860 HydrophobicContact CG2-CD1 3.99Å; V692-A864 HydrophobicContact CG2-CB 4.04Å
693	N	58.6	Low	57	Low	104 Å²	104	73.6 Å²	73.6	56%	0.556	42%	0.419	S	S	*	.			trans	-73.9	160	178	-65.9	-7.7	0	0	0	111	D695	N693-D695 PolarHBondContact O-N 3.47Å; N693-D695 VanDerWaalsContact O-N 3.09Å
694	N	49.8	Very low	53.8	Low	87 Å²	87	76.9 Å²	76.9	47%	0.465	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-25.4	-175.6	-77.7	-8.9	0	0	0	114.7	D511 K687	D511-N694 PolarHBondContact OD2-ND2 3.27Å; K687-N694 WeakPolarHBondContact CE-OD1 3.48Å; K687-N694 PolarHBondContact NZ-OD1 3.24Å
695	D	41.4	Very low	50.7	Low	136 Å²	136	83.2 Å²	83.2	73%	0.727	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	6.4	-157.1	-41.7	-56.7	0	0	0	114.9	N693	N693-D695 PolarHBondContact O-N 3.47Å; N693-D695 VanDerWaalsContact O-N 3.09Å
696	N	32.5	Very low	47.5	Very low	113 Å²	113	89.1 Å²	89.1	60%	0.604	51%	0.512	S	S	*	.			trans	-101.4	20.8	-168.4	-83.7	24.2	0	0	0	115.6
697	N	26.5	Very low	44.4	Very low	128 Å²	128	93.1 Å²	93.1	68%	0.684	54%	0.54	S	S	*	.	S	Bend	trans	-105.6	127.2	165.3	-80	-4.5	0	0	0	109.8
698	N	28.1	Very low	41.5	Very low	106 Å²	106	94.9 Å²	94.9	57%	0.567	55%	0.554	S	S	*	*	S	Bend	trans	46	80.4	168.3	-60.9	-0.1	0	0	0	116.7
699	N	27.5	Very low	38.9	Very low	136 Å²	136	99.7 Å²	99.7	73%	0.727	57%	0.574	S	S	*	*			trans	-152.3	123.6	135.3	-119	-52.6	0	0	0	112.4	N701	N699-N701 PolarHBondContact O-N 2.68Å
700	G	25	Very low	36.2	Very low	72 Å²	72	106 Å²	106	74%	0.742	61%	0.612	S	S	*	*			trans	-75.4	61.8	172.2	0	0	0	0	0	111.3	N702	G700-N702 PolarHBondContact O-N 3.33Å
701	N	26.4	Very low	33.9	Very low	134 Å²	134	110.6 Å²	110.6	72%	0.717	64%	0.635	S	S	*	*			trans	-71.7	89.7	-172.3	-90.6	-23.6	0	0	0	112.1	N699 S703	N699-N701 PolarHBondContact O-N 2.68Å; N701-S703 PolarHBondContact O-N 2.89Å
702	N	27.2	Very low	31.7	Very low	145 Å²	145	115.9 Å²	115.9	78%	0.775	67%	0.667	S	S	*	*			trans	-53.3	104.3	167.6	-82.4	-47.1	0	0	0	111	G700	G700-N702 PolarHBondContact O-N 3.33Å
703	S	25.9	Very low	29.7	Very low	99 Å²	99	121.2 Å²	121.2	69%	0.692	69%	0.694	S	S	*	*			trans	-147.7	51.6	167.1	-80.4	0	0	0	0	111	N701 N705	N701-S703 PolarHBondContact O-N 2.89Å; S703-N705 PolarHBondContact O-N 2.84Å
704	T	25	Very low	28.2	Very low	117 Å²	117	123.4 Å²	123.4	72%	0.718	71%	0.705	S	S	*	*			trans	-59.4	100.7	152.7	46.9	0	0	0	0	108.5	V706	T704-V706 PolarHBondContact O-N 2.9Å
705	N	24.5	Very low	27.1	Very low	146 Å²	146	125.9 Å²	125.9	78%	0.781	72%	0.717	S	S	*	*			trans	-69.3	72.2	171.4	-87.3	-52.7	0	0	0	110.6	S703 S707	S703-N705 PolarHBondContact O-N 2.84Å; N705-S707 PolarHBondContact O-N 3.29Å
706	V	24.4	Very low	26.5	Very low	123 Å²	123	126.3 Å²	126.3	75%	0.745	72%	0.72	S	S	*	*			trans	-68.9	112.5	167.6	179.4	0	0	0	0	107	T704	T704-V706 PolarHBondContact O-N 2.9Å
707	S	23.6	Very low	26	Very low	85 Å²	85	126.1 Å²	126.1	59%	0.594	72%	0.723	S	S	*	*			trans	-137.2	58.7	-172.6	-71.6	0	0	0	0	111.8	N705 K709	N705-S707 PolarHBondContact O-N 3.29Å; S707-K709 PolarHBondContact O-NZ 3.39Å
708	D	26.2	Very low	26	Very low	128 Å²	128	126 Å²	126	68%	0.684	73%	0.726	S	S	*	*			trans	-110.7	101.9	160.8	-78.9	-48.8	0	0	0	108.7
709	K	26.6	Very low	26	Very low	166 Å²	166	127.2 Å²	127.2	72%	0.722	74%	0.738	S	S	*	*				72.1	123.6	73	-72	-176	-152.7	91.3	0	113.7	S707	S707-K709 PolarHBondContact O-NZ 3.39Å
710	T	24.1	Very low	25.8	Very low	139 Å²	139	126.7 Å²	126.7	85%	0.853	74%	0.74	S	S	*	*				-167.6	162.3	127.3	8.8	0	0	0	0	112.8
711	T	26.2	Very low	25.9	Very low	128 Å²	128	127.7 Å²	127.7	79%	0.785	74%	0.736	S	S	*	*			trans	91.7	108.6	-176.7	-46.4	0	0	0	0	113.4
712	T	27.5	Very low	25.8	Very low	115 Å²	115	128.1 Å²	128.1	71%	0.706	74%	0.738	S	S	*	*			cis	-153.7	152.8	-6.5	-4.7	0	0	0	0	113.5
713	N	25.7	Very low	25.7	Very low	138 Å²	138	127.6 Å²	127.6	74%	0.738	74%	0.735	S	S	*	*			trans	-3.3	132.8	152.3	-54	-21	0	0	0	120.2
714	L	27.5	Very low	25.6	Very low	150 Å²	150	128.9 Å²	128.9	79%	0.785	74%	0.739	S	S	*	*				-164.5	126.7	105	-127.9	70.7	0	0	0	112.8
715	I	28	Very low	25.6	Very low	140 Å²	140	129.2 Å²	129.2	72%	0.718	74%	0.741	S	S	*	*			trans	51.4	119.7	145.9	-63.7	168	0	0	0	117.1
716	N	28.8	Very low	25.5	Very low	145 Å²	145	131.1 Å²	131.1	78%	0.775	74%	0.742	S	S	*	*				-158.8	175.2	53.7	-139.9	-16.2	0	0	0	113.9
717	T	22.1	Very low	25.5	Very low	109 Å²	109	132.7 Å²	132.7	67%	0.669	75%	0.746	S	S	*	*			trans	-119.8	167	-168.3	56.6	0	0	0	0	115.3
718	T	25.5	Very low	25.6	Very low	124 Å²	124	133.9 Å²	133.9	76%	0.761	75%	0.754	S	S	*	*			trans	66.9	150.8	160.4	55.1	0	0	0	0	117.9
719	T	27.8	Very low	25.7	Very low	132 Å²	132	131.9 Å²	131.9	81%	0.81	75%	0.75	S	S	*	*			cis	-152.5	176.2	4.7	-7.6	0	0	0	0	112.5
720	T	24.6	Very low	25.7	Very low	125 Å²	125	130.7 Å²	130.7	77%	0.767	75%	0.751	S	S	*	*			trans	-80.6	163.7	-172.5	-16.2	0	0	0	0	117
721	S	25.9	Very low	26	Very low	94 Å²	94	130.6 Å²	130.6	66%	0.657	74%	0.741	S	S	*	*			trans	84.6	99.4	144.7	-60.1	0	0	0	0	122.6
722	N	25	Very low	26.1	Very low	142 Å²	142	131.7 Å²	131.7	76%	0.759	74%	0.735	S	S	*	*				61.3	129.5	118.8	-61.6	-2.6	0	0	0	124
723	N	24.3	Very low	26	Very low	135 Å²	135	132.8 Å²	132.8	72%	0.722	74%	0.736	S	S	*	*			trans	96.5	101.3	134.8	-73	-5	0	0	0	123.9
724	T	23.8	Very low	25.9	Very low	125 Å²	125	133.3 Å²	133.3	77%	0.767	74%	0.739	S	S	*	*				98.4	145.2	120.4	62.8	0	0	0	0	123.7
725	V	25	Very low	25.8	Very low	125 Å²	125	134 Å²	134	76%	0.758	74%	0.738	S	S	*	*			trans	90.7	105.1	158.6	-165	0	0	0	0	120.2
726	K	23.6	Very low	25.6	Very low	185 Å²	185	134 Å²	134	80%	0.804	74%	0.739	S	S	*	*			trans	27.2	136.8	140	-55.7	178	179.1	176.9	0	119.3
727	L	24.2	Very low	25.4	Very low	157 Å²	157	132.1 Å²	132.1	82%	0.822	73%	0.733	S	S	*	*				-168.3	158.5	65	-118.8	113.6	0	0	0	113.4
728	S	24.8	Very low	25.5	Very low	109 Å²	109	134.9 Å²	134.9	76%	0.762	74%	0.738	S	S	*	*			trans	69.2	134	165.9	-140.7	0	0	0	0	117
729	S	28.6	Very low	25.4	Very low	87 Å²	87	133.8 Å²	133.8	61%	0.608	74%	0.735	S	S	*	*			cis	-167.4	135.6	-10.7	34.3	0	0	0	0	112.4
730	N	26.2	Very low	25.2	Very low	141 Å²	141	134.7 Å²	134.7	75%	0.754	74%	0.735	S	S	*	*			trans	65.6	136.5	148.5	-60.5	-5.5	0	0	0	119.2
731	H	30.2	Very low	25.2	Very low	136 Å²	136	133.2 Å²	133.2	63%	0.63	73%	0.73	S	S	*	*			cis	-163.1	139.5	-7.2	-133.8	1.5	0	0	0	112.4
732	K	28.8	Very low	25.1	Very low	152 Å²	152	133.6 Å²	133.6	66%	0.661	73%	0.732	S	S	*	*			trans	55.8	120.5	152.1	-69.7	161	177.5	155.5	0	119.1
733	D	25	Very low	25.1	Very low	137 Å²	137	131.7 Å²	131.7	73%	0.733	73%	0.73	S	S	*	*			cis	88.1	101.2	39.5	-62	-51.1	0	0	0	115
734	N	24.4	Very low	25.3	Very low	149 Å²	149	132 Å²	132	80%	0.797	73%	0.73	S	S	*	*			trans	67.4	153.1	136.2	-77.4	-23.8	0	0	0	123.6
735	Q	25	Very low	25.3	Very low	165 Å²	165	133.7 Å²	133.7	77%	0.771	73%	0.733	S	S	*	*			trans	88.8	121.9	157.6	-78.5	177.2	100.2	0	0	121
736	L	23.2	Very low	25.3	Very low	139 Å²	139	132.8 Å²	132.8	73%	0.728	73%	0.733	S	S	*	*			trans	81.4	148.8	130.2	-71.5	171.1	0	0	0	122.2
737	T	25.3	Very low	25.4	Very low	106 Å²	106	128.4 Å²	128.4	65%	0.65	73%	0.731	S	S	*	*			trans	66	114.1	148.2	44.5	0	0	0	0	120.8
738	E	23.5	Very low	25.5	Very low	168 Å²	168	125.4 Å²	125.4	79%	0.785	73%	0.729	S	S	*	*				58.3	109.9	120.2	-62	-177.5	129.2	0	0	120.6
739	S	24.3	Very low	25.7	Very low	100 Å²	100	124.4 Å²	124.4	70%	0.699	73%	0.727	S	S	*	*				90.9	144.3	118.1	82.7	0	0	0	0	120.9
740	L	24.4	Very low	25.7	Very low	151 Å²	151	127.5 Å²	127.5	79%	0.791	74%	0.737	S	S	*	*			trans	60.1	99.6	142.6	-67	165.3	0	0	0	120
741	S	23.5	Very low	25.9	Very low	95 Å²	95	125.5 Å²	125.5	66%	0.664	73%	0.734	S	S	*	*				101	129.9	114.1	-63	0	0	0	0	120.8
742	S	24.3	Very low	25.9	Very low	102 Å²	102	123.6 Å²	123.6	71%	0.713	74%	0.736	S	S	*	*			trans	66.1	104.4	138.8	60.7	0	0	0	0	120.3
743	S	24.8	Very low	26.1	Very low	101 Å²	101	121.4 Å²	121.4	71%	0.706	74%	0.736	S	S	*	*				103	124.8	108.2	-70.6	0	0	0	0	121.5
744	I	27.7	Very low	26.3	Very low	143 Å²	143	121.5 Å²	121.5	73%	0.733	74%	0.736	S	S	*	*			trans	79.8	109.5	130.8	-67.3	171.1	0	0	0	118.6
745	L	25.4	Very low	26.7	Very low	159 Å²	159	120.4 Å²	120.4	83%	0.832	74%	0.735	S	S	*	*			trans	46.8	153.4	134.1	-78.4	76.5	0	0	0	120.7
746	S	25.3	Very low	27.1	Very low	106 Å²	106	118.9 Å²	118.9	74%	0.741	74%	0.737	S	S	*	*			cis	-176.4	-175.2	-13.1	-175.3	0	0	0	0	108
747	A	25.1	Very low	27.9	Very low	93 Å²	93	117.5 Å²	117.5	77%	0.769	74%	0.736	S	S	*	*			trans	73.3	148.6	162.2	0	0	0	0	0	118
748	A	25.5	Very low	28.3	Very low	94 Å²	94	118.2 Å²	118.2	78%	0.777	74%	0.74	S	S	*	*			cis	-169	-168.7	-14.5	0	0	0	0	0	110.5
749	A	29.7	Very low	28.5	Very low	88 Å²	88	118.8 Å²	118.8	73%	0.727	74%	0.743	S	S	*	*			trans	79.6	139.7	169	0	0	0	0	0	116.4
750	D	28.2	Very low	29.2	Very low	152 Å²	152	120.1 Å²	120.1	81%	0.813	75%	0.749	S	S	*	*			cis	-163	164	-12.9	-120.9	-43.1	0	0	0	108.1
751	S	30.1	Very low	29.7	Very low	99 Å²	99	119.5 Å²	119.5	69%	0.692	75%	0.751	S	S	*	*			cis	-155	-170.1	1.3	62.5	0	0	0	0	107
752	S	29.8	Very low	30.1	Very low	96 Å²	96	122.1 Å²	122.1	67%	0.671	76%	0.758	S	S	*	*			cis	-158.6	-164.5	5.4	58.5	0	0	0	0	106.9
753	T	33.3	Very low	30.4	Very low	107 Å²	107	121.2 Å²	121.2	66%	0.656	75%	0.752	S	S	*	*			cis	-152.4	154.3	3	-1.6	0	0	0	0	108.5
754	N	30	Very low	30.7	Very low	139 Å²	139	123.5 Å²	123.5	74%	0.743	76%	0.756	S	S	*	*			trans	57.6	140.8	152.1	-57.7	-10.2	0	0	0	120
755	T	31.9	Very low	30.8	Very low	125 Å²	125	122 Å²	122	77%	0.767	75%	0.753	S	S	*	*			cis	179.8	153.6	-9.5	26.4	0	0	0	0	106.7
756	V	33.5	Very low	30.9	Very low	134 Å²	134	120.6 Å²	120.6	81%	0.812	75%	0.745	S	S	*	*			cis	-163.4	160.8	-16.1	112.6	0	0	0	0	107.9
757	P	41.3	Very low	31	Very low	110 Å²	110	123.8 Å²	123.8	71%	0.714	75%	0.748	S	S	*	*			trans	-127	-174.8	-157.4	45.2	-33.7	0	0	0	117.2
758	T	32	Very low	30.9	Very low	121 Å²	121	123.5 Å²	123.5	74%	0.742	74%	0.74	S	S	*	*			trans	-163.7	169.5	158.7	45.3	0	0	0	0	109.6
759	E	28.7	Very low	30.8	Very low	179 Å²	179	125.1 Å²	125.1	84%	0.836	74%	0.741	S	S	*	*			cis	-161.1	130.8	-37.4	-104.3	178.8	-92.7	0	0	109.4
760	P	38.9	Very low	30.7	Very low	128 Å²	128	127.8 Å²	127.8	83%	0.831	74%	0.743	S	S	*	*			trans	-128.6	163	-178.1	41.5	-29.8	0	0	0	117.2
761	V	35.3	Very low	30.4	Very low	138 Å²	138	125.2 Å²	125.2	84%	0.836	74%	0.737	S	S	*	*			trans	-149.8	118.8	174	-172.5	0	0	0	0	109.3
762	N	31.5	Very low	30.2	Very low	151 Å²	151	125.8 Å²	125.8	81%	0.807	74%	0.741	S	S	*	*				66.2	143.3	78	-93.2	-10.3	0	0	0	116.6
763	S	31.1	Very low	29.9	Very low	83 Å²	83	126.1 Å²	126.1	58%	0.58	74%	0.743	S	S	*	*			cis	-175.9	150.4	-3	53.2	0	0	0	0	115
764	N	31	Very low	29.5	Very low	149 Å²	149	128 Å²	128	80%	0.797	75%	0.748	S	S	*	*			trans	64.6	156.3	138.7	-66.3	-1.7	0	0	0	121.9
765	V	29.6	Very low	29.5	Very low	111 Å²	111	128 Å²	128	67%	0.673	75%	0.748	S	S	*	*			cis	-165.1	138.9	-8.6	126.6	0	0	0	0	113.8
766	I	26.6	Very low	29.2	Very low	130 Å²	130	129.9 Å²	129.9	67%	0.667	75%	0.748	S	S	*	*			trans	35	126.9	146	-48.6	165.2	0	0	0	123.2
767	H	28.5	Very low	29	Very low	172 Å²	172	132 Å²	132	80%	0.796	75%	0.753	S	S	*	*				-177.4	121.6	115.2	-104	-65.1	0	0	0	118.7
768	S	23	Very low	28.2	Very low	87 Å²	87	134 Å²	134	61%	0.608	76%	0.758	S	S	*	*			trans	52.8	117.3	139	-55.1	0	0	0	0	126.8
769	T	23.4	Very low	28.2	Very low	128 Å²	128	133.1 Å²	133.1	79%	0.785	76%	0.755	S	S	*	*				82.3	135	129.4	52	0	0	0	0	125.7
770	N	25.9	Very low	28.2	Very low	144 Å²	144	131.4 Å²	131.4	77%	0.77	75%	0.751	S	S	*	*			trans	88.5	94.5	149	-69.1	12.7	0	0	0	123.9
771	S	23.2	Very low	27.5	Very low	99 Å²	99	132.3 Å²	132.3	69%	0.692	75%	0.749	S	S	*	*				54.3	129.1	124.4	62.8	0	0	0	0	124.6
772	S	25	Very low	27.1	Very low	110 Å²	110	134.3 Å²	134.3	77%	0.769	75%	0.749	S	S	*	*			trans	65.6	142.7	151.8	57.3	0	0	0	0	119.6
773	S	24.2	Very low	26.9	Very low	103 Å²	103	133.3 Å²	133.3	72%	0.72	75%	0.753	S	S	*	*			cis	-166.4	155.7	-7.6	-100.9	0	0	0	0	112.7
774	I	25.6	Very low	26.7	Very low	146 Å²	146	135.8 Å²	135.8	75%	0.749	76%	0.758	S	S	*	*			trans	65.7	106.4	150.4	-63.9	160.8	0	0	0	119.7
775	N	29	Very low	26.6	Very low	140 Å²	140	133.6 Å²	133.6	75%	0.749	75%	0.752	S	S	*	*			trans	159.9	142.5	131	-90.6	-4	0	0	0	107.9
776	E	25	Very low	26.5	Very low	165 Å²	165	133.6 Å²	133.6	77%	0.771	75%	0.754	S	S	*	*			cis	165.8	115.1	-9.2	168.8	177.4	-128.9	0	0	102.6
777	L	29.4	Very low	26.5	Very low	177 Å²	177	133 Å²	133	93%	0.927	76%	0.759	S	S	*	*			trans	172.6	104.3	160.9	-101	164.7	0	0	0	110.5
778	D	25.7	Very low	26.4	Very low	152 Å²	152	131.8 Å²	131.8	81%	0.813	76%	0.757	S	S	*	*			trans	-83.1	160.4	164.4	-96.1	-39.2	0	0	0	109.6
779	P	31.6	Very low	26.5	Very low	104 Å²	104	134.8 Å²	134.8	68%	0.675	77%	0.766	S	S	*	*				-154.8	175.1	71.5	44.9	-24.5	0	0	0	119.7
780	D	28.6	Very low	26.6	Very low	143 Å²	143	138.3 Å²	138.3	77%	0.765	77%	0.77	S	S	*	*			trans	74.2	100.1	152.7	-56.4	-23.2	0	0	0	121.7
781	D	25.4	Very low	26.8	Very low	146 Å²	146	138.4 Å²	138.4	78%	0.781	77%	0.769	S	S	*	*				38.8	100.9	130	-72.9	-19.1	0	0	0	121.5
782	Q	26.5	Very low	27.1	Very low	180 Å²	180	140.9 Å²	140.9	84%	0.841	78%	0.775	S	S	*	*				-168.2	93.9	119.8	-108.1	155	94.9	0	0	112.1
783	C	27	Very low	27.6	Very low	130 Å²	130	144.2 Å²	144.2	88%	0.878	78%	0.778	S	S	*	*			trans	-101.1	86.7	170	-152.8	0	0	0	0	110.6	P785	C783-P785 WeakPolarHBondContact O-CD 3.24Å
784	I	27.1	Very low	28.3	Very low	135 Å²	135	147.1 Å²	147.1	69%	0.692	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-67.9	120.3	171.8	-60.4	169.1	0	0	0	108
785	P	27.6	Very low	29.6	Very low	104 Å²	104	140.8 Å²	140.8	68%	0.675	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-65.9	141.3	173.2	28.1	-33.6	0	0	0	109.7	C783	C783-P785 WeakPolarHBondContact O-CD 3.24Å
786	P	27.8	Very low	31.2	Very low	110 Å²	110	137.6 Å²	137.6	71%	0.714	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-63.3	146.8	-176.8	27	-34.8	0	0	0	111.1	I788	P786-I788 PolarHBondContact O-N 3.28Å
787	P	26.5	Very low	33.3	Very low	118 Å²	118	135.2 Å²	135.2	77%	0.766	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-62.4	125	-172.1	24.3	-34.1	0	0	0	111.7	N789	P787-N789 VanDerWaalsContact C-N 3.27Å; P787-N789 PolarHBondContact O-N 2.91Å
788	I	26.5	Very low	35.1	Very low	146 Å²	146	130.4 Å²	130.4	75%	0.749	70%	0.695	S	S	*	*			trans	-71.7	82.7	177.9	-55	173.6	0	0	0	108.8	P786 I791	P786-I788 PolarHBondContact O-N 3.28Å; I788-I791 HydrophobicContact CG2-CD1 4.08Å
789	N	25.5	Very low	37.5	Very low	151 Å²	151	124 Å²	124	81%	0.807	66%	0.662	S	S	*	*			trans	-146.1	48.6	179.2	-110.5	-40	0	0	0	111.5	P787	P787-N789 VanDerWaalsContact C-N 3.27Å; P787-N789 PolarHBondContact O-N 2.91Å
790	K	26.1	Very low	40	Very low	201 Å²	201	121.6 Å²	121.6	87%	0.874	64%	0.641	S	S	*	*			trans	-159.7	37.3	170.5	-119.8	168.5	-171.7	179.3	0	114.8
791	I	29.3	Very low	42.7	Very low	146 Å²	146	118.2 Å²	118.2	75%	0.749	62%	0.623	S	S	*	*			trans	-100.4	79.3	169.1	-54.8	-179.5	0	0	0	108.5	I788	I788-I791 HydrophobicContact CG2-CD1 4.08Å
792	N	29	Very low	45.7	Very low	151 Å²	151	111.5 Å²	111.5	81%	0.807	59%	0.587	S	S	*	*	S	Bend	trans	-165.1	146.8	161.6	-107.5	-35.7	0	0	0	107.5
793	Q	36.5	Very low	48.7	Very low	180 Å²	180	103 Å²	103	84%	0.841	55%	0.547	S	S	*	.	S	Bend	trans	67.2	47.8	-176.9	-54.5	-177.8	-19.1	0	0	116.8
794	H	38.5	Very low	51.6	Low	164 Å²	164	99.1 Å²	99.1	76%	0.759	52%	0.517	S	S	*	.			trans	-150	115.6	148.4	-138.3	-72.5	0	0	0	111.5	T796	H794-T796 PolarHBondContact O-N 3.28Å
795	C	52.3	Low	54.5	Low	14 Å²	14	94.6 Å²	94.6	10%	0.095	49%	0.494	C	S	.	.			trans	-63.4	126.9	160.9	177.7	0	0	0	0	107.5	Y869	C795-Y869 HydrophobicContact CB-CD1 3.7Å; C795-Y869 HydrophobicContact CB-CD2 3.95Å; C795-Y869 HydrophobicContact CB-CE1 3.42Å; C795-Y869 VanDerWaalsContact CB-CE1 3.42Å; C795-Y869 HydrophobicContact CB-CE2 3.7Å; C795-Y869 HydrophobicContact CB-CG 3.97Å; C795-Y869 VanDerWaalsContact CB-CZ 3.43Å; C795-Y869 PolarHBondContact N-OH 3.39Å; C795-Y869 VanDerWaalsContact N-OH 3.07Å
796	T	64.2	Low	57.5	Low	72 Å²	72	89.7 Å²	89.7	44%	0.442	46%	0.463	S	S	.	.			trans	-77.6	152.5	177.7	57.2	0	0	0	0	109.4	H794 F798 S799 K800	H794-T796 PolarHBondContact O-N 3.28Å; T796-F798 PolarHBondContact O-N 2.93Å; T796-F798 VanDerWaalsContact O-N 3.13Å; T796-S799 PolarHBondContact O-N 3.15Å; T796-S799 PolarHBondContact OG1-N 3.02Å; T796-S799 PolarHBondContact OG1-OG 3.42Å; T796-K800 PolarHBondContact O-N 2.86Å
797	E	67.6	Low	60.5	Low	115 Å²	115	84.6 Å²	84.6	54%	0.537	43%	0.429	S	S	.	.	H	α-helix	trans	-58.7	-28.8	175.7	-143.6	63.4	-154.6	0	0	111.7	K800 N801	E797-K800 PolarHBondContact O-N 3.25Å; E797-K800 WeakPolarHBondContact OE1-CD 3.33Å; E797-K800 IonicContact OE1-NZ 3.46Å; E797-K800 PolarHBondContact OE1-NZ 2.96Å; E797-K800 WeakPolarHBondContact OE2-CE 3.31Å; E797-K800 IonicContact OE2-NZ 2.7Å; E797-K800 PolarHBondContact OE2-NZ 3.28Å; E797-N801 VanDerWaalsContact O-CG 3.26Å; E797-N801 PolarHBondContact O-N 2.71Å; E797-N801 VanDerWaalsContact O-N 3.13Å; E797-N801 PolarHBondContact O-ND2 2.84Å
798	F	68.2	Low	63.3	Low	77 Å²	77	82.3 Å²	82.3	34%	0.338	41%	0.407	S	S	.	.	H	α-helix	trans	-53.5	-54.4	168.9	179.9	-85.1	0	0	0	112.4	N647 K650 T796 K800 N801 I802	N647-F798 WeakPolarHBondContact OD1-CE2 3.43Å; N647-F798 VanDerWaalsContact OD1-CZ 3.3Å; N647-F798 WeakPolarHBondContact OD1-CZ 3.07Å; K650-F798 HydrophobicContact CB-CE1 4.41Å; K650-F798 HydrophobicContact CB-CE2 4.39Å; K650-F798 HydrophobicContact CB-CZ 3.87Å; K650-F798 HydrophobicContact CD-CD2 4.01Å; K650-F798 HydrophobicContact CD-CE2 3.41Å; K650-F798 VanDerWaalsContact CD-CE2 3.41Å; K650-F798 HydrophobicContact CD-CZ 3.79Å; K650-F798 HydrophobicContact CG-CZ 4.46Å; T796-F798 PolarHBondContact O-N 2.93Å; T796-F798 VanDerWaalsContact O-N 3.13Å; F798-K800 VanDerWaalsContact C-N 3.33Å; F798-K800 PolarHBondContact O-N 3.35Å; F798-N801 PolarHBondContact O-N 3.08Å; F798-I802 HydrophobicContact CD1-CD1 4.13Å; F798-I802 HydrophobicContact CE1-CD1 3.82Å; F798-I802 PolarHBondContact O-N 3.15Å
799	S	76.6	Confident	66.1	Low	17 Å²	17	79.7 Å²	79.7	12%	0.119	40%	0.395	C	S	.	.	H	α-helix	trans	-67.3	-31.4	-178.9	-62.2	0	0	0	0	112.9	T796 I803	T796-S799 PolarHBondContact O-N 3.15Å; T796-S799 PolarHBondContact OG1-N 3.02Å; T796-S799 PolarHBondContact OG1-OG 3.42Å; S799-I803 WeakPolarHBondContact O-CG1 3.41Å
800	K	82.5	Confident	69.1	Low	53 Å²	53	73.4 Å²	73.4	23%	0.23	36%	0.361	C	S	.	.	H	α-helix	trans	-62.4	-45.2	172	-63.5	-176.4	-164.5	161	0	112	T796 E797 F798 I802 I803 I804 F872	T796-K800 PolarHBondContact O-N 2.86Å; E797-K800 PolarHBondContact O-N 3.25Å; E797-K800 WeakPolarHBondContact OE1-CD 3.33Å; E797-K800 IonicContact OE1-NZ 3.46Å; E797-K800 PolarHBondContact OE1-NZ 2.96Å; E797-K800 WeakPolarHBondContact OE2-CE 3.31Å; E797-K800 IonicContact OE2-NZ 2.7Å; E797-K800 PolarHBondContact OE2-NZ 3.28Å; F798-K800 VanDerWaalsContact C-N 3.33Å; F798-K800 PolarHBondContact O-N 3.35Å; K800-I802 VanDerWaalsContact C-N 3.32Å; K800-I802 PolarHBondContact O-N 3.49Å; K800-I803 PolarHBondContact O-N 3.19Å; K800-I804 WeakPolarHBondContact O-CG1 3.4Å; K800-I804 PolarHBondContact O-N 3.09Å; K800-F872 HydrophobicContact CB-CE1 4.27Å; K800-F872 HydrophobicContact CB-CE2 4.06Å; K800-F872 HydrophobicContact CB-CZ 3.69Å; K800-F872 HydrophobicContact CD-CD2 4.34Å; K800-F872 HydrophobicContact CD-CE2 4.15Å; K800-F872 HydrophobicContact CD-CZ 4.46Å; K800-F872 HydrophobicContact CG-CE1 4.26Å; K800-F872 HydrophobicContact CG-CE2 4.21Å; K800-F872 HydrophobicContact CG-CZ 4.02Å
801	N	85.3	Confident	72.2	Confident	72 Å²	72	67.9 Å²	67.9	39%	0.385	34%	0.338	S	S	.	.	H	α-helix	trans	-61.9	-38.2	-176.4	-70.4	-17.1	0	0	0	112.4	E797 F798 I803 I804 N805	E797-N801 VanDerWaalsContact O-CG 3.26Å; E797-N801 PolarHBondContact O-N 2.71Å; E797-N801 VanDerWaalsContact O-N 3.13Å; E797-N801 PolarHBondContact O-ND2 2.84Å; F798-N801 PolarHBondContact O-N 3.08Å; N801-I803 PolarHBondContact O-N 3.21Å; N801-I804 PolarHBondContact O-N 3.16Å; N801-N805 VanDerWaalsContact O-CG 3.25Å; N801-N805 PolarHBondContact O-N 3.15Å; N801-N805 PolarHBondContact O-OD1 2.87Å; N801-N805 VanDerWaalsContact O-OD1 3.08Å
802	I	88.2	Confident	75.2	Confident	6 Å²	6	61 Å²	61	3%	0.031	30%	0.303	C	S	.	.	H	α-helix	trans	-56.8	-41.2	174.6	-57.1	174.1	0	0	0	110.8	K650 V653 I685 F798 K800 L806	K650-I802 HydrophobicContact CB-CD1 3.89Å; K650-I802 HydrophobicContact CB-CG1 3.94Å; K650-I802 HydrophobicContact CG-CG1 4.33Å; V653-I802 HydrophobicContact CB-CG2 4.38Å; V653-I802 HydrophobicContact CG2-CG2 3.9Å; I685-I802 HydrophobicContact CG2-CG2 3.84Å; F798-I802 HydrophobicContact CD1-CD1 4.13Å; F798-I802 HydrophobicContact CE1-CD1 3.82Å; F798-I802 PolarHBondContact O-N 3.15Å; K800-I802 VanDerWaalsContact C-N 3.32Å; K800-I802 PolarHBondContact O-N 3.49Å; I802-L806 VanDerWaalsContact O-CB 3.28Å; I802-L806 WeakPolarHBondContact O-CB 3.03Å; I802-L806 PolarHBondContact O-N 3.28Å
803	I	89.4	Confident	78.2	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-79.1	-33.6	-177.3	-59.9	-68	0	0	0	112	I685 F686 L691 S799 K800 N801 L806 I807 F872 L873 L876	I685-I803 HydrophobicContact CG2-CD1 3.99Å; F686-I803 HydrophobicContact CD2-CD1 4.42Å; F686-I803 HydrophobicContact CE2-CD1 4.38Å; L691-I803 HydrophobicContact CD1-CB 4.45Å; L691-I803 HydrophobicContact CD1-CD1 3.52Å; L691-I803 HydrophobicContact CD1-CG1 3.62Å; L691-I803 HydrophobicContact CD1-CG2 4.1Å; S799-I803 WeakPolarHBondContact O-CG1 3.41Å; K800-I803 PolarHBondContact O-N 3.19Å; N801-I803 PolarHBondContact O-N 3.21Å; I803-L806 PolarHBondContact O-N 3.34Å; I803-I807 HydrophobicContact CG2-CD1 4.02Å; I803-I807 PolarHBondContact O-N 2.88Å; I803-F872 HydrophobicContact CB-CE1 4.39Å; I803-F872 HydrophobicContact CG2-CE1 4.17Å; I803-L873 HydrophobicContact CG2-CD1 3.9Å; I803-L876 HydrophobicContact CG2-CD2 4.26Å
804	I	88.8	Confident	80.8	Confident	48 Å²	48	47.7 Å²	47.7	25%	0.246	24%	0.237	C	C	.	.	H	α-helix	trans	-57.1	-54.1	169.1	-69.6	164.9	0	0	0	109.5	K800 N801 L806 I807 K808 F872 L876	K800-I804 WeakPolarHBondContact O-CG1 3.4Å; K800-I804 PolarHBondContact O-N 3.09Å; N801-I804 PolarHBondContact O-N 3.16Å; I804-L806 PolarHBondContact O-N 3.49Å; I804-I807 PolarHBondContact O-N 3.03Å; I804-K808 WeakPolarHBondContact O-CB 3.31Å; I804-K808 PolarHBondContact O-N 3.39Å; I804-F872 HydrophobicContact CD1-CE2 4.27Å; I804-F872 HydrophobicContact CD1-CZ 4.38Å; I804-F872 HydrophobicContact CG1-CE2 4.22Å; I804-F872 HydrophobicContact CG1-CZ 4.02Å; I804-L876 HydrophobicContact CB-CD1 4.48Å; I804-L876 HydrophobicContact CG1-CD1 3.85Å; I804-L876 HydrophobicContact CG1-CD2 4.37Å
805	N	88	Confident	83.3	Confident	40 Å²	40	41.3 Å²	41.3	21%	0.214	21%	0.207	C	C	.	.	I	π-helix	trans	-63.2	-42	-178.8	-61.7	12	0	0	0	111.1	V653 D654 N801 I807 D809 H810	V653-N805 HydrophobicContact CG1-CB 3.52Å; D654-N805 PolarHBondContact OD1-ND2 3.36Å; N801-N805 VanDerWaalsContact O-CG 3.25Å; N801-N805 PolarHBondContact O-N 3.15Å; N801-N805 PolarHBondContact O-OD1 2.87Å; N801-N805 VanDerWaalsContact O-OD1 3.08Å; N805-I807 VanDerWaalsContact C-N 3.32Å; N805-I807 PolarHBondContact O-N 3.15Å; N805-D809 WeakPolarHBondContact CA-OD2 3.31Å; N805-D809 WeakPolarHBondContact O-CB 3.41Å; N805-D809 PolarHBondContact O-N 2.94Å; N805-H810 PolarHBondContact O-N 3.48Å
806	L	90.1	Very high	85.1	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.202	C	C	.	.	I	π-helix	trans	-63.8	-32.6	179.3	-174.7	62.2	0	0	0	113.6	M658 I685 F686 I802 I803 I804 H810 L812	M658-L806 HydrophobicContact CB-CD1 4.08Å; M658-L806 HydrophobicContact CG-CD1 4.09Å; I685-L806 HydrophobicContact CD1-CD2 4.39Å; I685-L806 HydrophobicContact CG2-CD2 3.95Å; F686-L806 HydrophobicContact CD2-CD2 4.45Å; F686-L806 HydrophobicContact CE2-CD2 3.85Å; I802-L806 VanDerWaalsContact O-CB 3.28Å; I802-L806 WeakPolarHBondContact O-CB 3.03Å; I802-L806 PolarHBondContact O-N 3.28Å; I803-L806 PolarHBondContact O-N 3.34Å; I804-L806 PolarHBondContact O-N 3.49Å; L806-H810 HydrophobicContact CD1-CB 4.36Å; L806-H810 WeakPolarHBondContact O-CB 3.46Å; L806-L812 HydrophobicContact CD1-CD2 4.44Å; L806-L812 HydrophobicContact CD2-CD2 4.02Å; L806-L812 HydrophobicContact CG-CD2 3.96Å; L806-L812 VanDerWaalsContact O-CB 3.31Å; L806-L812 WeakPolarHBondContact O-CB 3.38Å; L806-L812 PolarHBondContact O-N 3.41Å
807	I	90.5	Very high	86.3	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.015	19%	0.19	C	C	.	.	I	π-helix	trans	-92	-45.4	-179.3	-74.7	169.7	0	0	0	112	I803 I804 N805 H811 I813 L873 L876	I803-I807 HydrophobicContact CG2-CD1 4.02Å; I803-I807 PolarHBondContact O-N 2.88Å; I804-I807 PolarHBondContact O-N 3.03Å; N805-I807 VanDerWaalsContact C-N 3.32Å; N805-I807 PolarHBondContact O-N 3.15Å; I807-H811 WeakPolarHBondContact O-CA 3.34Å; I807-H811 PolarHBondContact O-N 3.38Å; I807-I813 HydrophobicContact CG2-CD1 4.14Å; I807-L873 HydrophobicContact CD1-CD1 3.44Å; I807-L873 VanDerWaalsContact CD1-CD1 3.44Å; I807-L876 HydrophobicContact CB-CD2 4Å; I807-L876 HydrophobicContact CD1-CD2 3.91Å; I807-L876 HydrophobicContact CG2-CD2 4.15Å; I807-L876 HydrophobicContact CG2-CG 4.34Å
808	K	86.2	Confident	87.2	Confident	70 Å²	70	40.3 Å²	40.3	30%	0.304	19%	0.194	S	C	.	.	I	π-helix	trans	-87	-45	-174.6	-70	-174.1	173.2	172.2	0	113.8	I804 L876 D879	I804-K808 WeakPolarHBondContact O-CB 3.31Å; I804-K808 PolarHBondContact O-N 3.39Å; K808-L876 HydrophobicContact CD-CD1 4.04Å; K808-L876 VanDerWaalsContact CE-CD1 3.46Å; K808-L876 HydrophobicContact CG-CD1 4.42Å; K808-D879 IonicContact NZ-OD2 2.67Å; K808-D879 PolarHBondContact NZ-OD2 3.42Å
809	D	85.6	Confident	88.1	Confident	92 Å²	92	37.1 Å²	37.1	49%	0.492	18%	0.181	S	C	.	.	I	π-helix	trans	-90.3	-29.5	-175.3	-53.6	-42.4	0	0	0	112.4	N805 H811	N805-D809 WeakPolarHBondContact CA-OD2 3.31Å; N805-D809 WeakPolarHBondContact O-CB 3.41Å; N805-D809 PolarHBondContact O-N 2.94Å; D809-H811 PolarHBondContact O-CD2 3.41Å
810	H	89.1	Confident	88.4	Confident	19 Å²	19	37.7 Å²	37.7	9%	0.088	19%	0.185	C	C	.	.	S	Bend	trans	-98.8	-3.1	178	-72.5	-173.9	0	0	0	114.4	V653 G656 N805 L806 L812	V653-H810 PolarHBondContact O-CE1 3.42Å; V653-H810 PolarHBondContact O-NE2 3.4Å; G656-H810 WeakPolarHBondContact CA-NE2 3.33Å; N805-H810 PolarHBondContact O-N 3.48Å; L806-H810 HydrophobicContact CD1-CB 4.36Å; L806-H810 WeakPolarHBondContact O-CB 3.46Å; H810-L812 VanDerWaalsContact C-N 3.27Å; H810-L812 PolarHBondContact O-N 3.13Å
811	H	90.8	Very high	87.8	Confident	85 Å²	85	36.7 Å²	36.7	39%	0.394	18%	0.183	S	C	.	.			trans	57.1	35.2	169.6	-64.1	-82.5	0	0	0	114	I807 D809 I813 D814 W815	I807-H811 WeakPolarHBondContact O-CA 3.34Å; I807-H811 PolarHBondContact O-N 3.38Å; D809-H811 PolarHBondContact O-CD2 3.41Å; H811-I813 VanDerWaalsContact C-N 3.28Å; H811-I813 PolarHBondContact O-N 3.18Å; H811-D814 HydrophobicContact CB-CB 4.11Å; H811-D814 WeakPolarHBondContact CB-OD2 3.49Å; H811-D814 IonicContact CE1-OD2 3.41Å; H811-D814 IonicContact CG-OD2 3.71Å; H811-D814 IonicContact ND1-OD2 3.83Å; H811-D814 PolarHBondContact ND1-OD2 3.34Å; H811-D814 PolarHBondContact O-N 3.05Å; H811-D814 VanDerWaalsContact O-N 3.09Å; H811-W815 VanDerWaalsContact O-CD1 3.26Å; H811-W815 PolarHBondContact O-N 2.99Å
812	L	92.2	Very high	87	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-57.4	-38.8	-174	179.3	61.2	0	0	0	112.9	M662 I682 F686 L806 H810 W815 C816 I857 I861	M662-L812 HydrophobicContact CE-CD1 4.33Å; M662-L812 HydrophobicContact SD-CD1 4.46Å; I682-L812 HydrophobicContact CD1-CD1 3.98Å; I682-L812 HydrophobicContact CG2-CD2 4.14Å; F686-L812 HydrophobicContact CE2-CD2 4.18Å; L806-L812 HydrophobicContact CD1-CD2 4.44Å; L806-L812 HydrophobicContact CD2-CD2 4.02Å; L806-L812 HydrophobicContact CG-CD2 3.96Å; L806-L812 VanDerWaalsContact O-CB 3.31Å; L806-L812 WeakPolarHBondContact O-CB 3.38Å; L806-L812 PolarHBondContact O-N 3.41Å; H810-L812 VanDerWaalsContact C-N 3.27Å; H810-L812 PolarHBondContact O-N 3.13Å; L812-W815 PolarHBondContact O-N 3.18Å; L812-C816 PolarHBondContact O-N 2.74Å; L812-C816 PolarHBondContact O-SG 2.81Å; L812-C816 VanDerWaalsContact O-SG 3.35Å; L812-I857 HydrophobicContact CD1-CG2 4.2Å; L812-I861 HydrophobicContact CD2-CD1 4.22Å; L812-I861 HydrophobicContact CG-CD1 4.35Å
813	I	91.4	Very high	85.6	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-68.5	-42.6	176.9	-74.7	172.7	0	0	0	111	I807 H811 W815 C816 L817 I861 I877 L880 T884 W888	I807-I813 HydrophobicContact CG2-CD1 4.14Å; H811-I813 VanDerWaalsContact C-N 3.28Å; H811-I813 PolarHBondContact O-N 3.18Å; I813-W815 VanDerWaalsContact C-N 3.26Å; I813-W815 PolarHBondContact O-N 2.7Å; I813-C816 PolarHBondContact O-N 3.37Å; I813-C816 VanDerWaalsContact O-N 3.15Å; I813-L817 HydrophobicContact CG2-CD1 4.08Å; I813-L817 HydrophobicContact CG2-CG 4.49Å; I813-L817 WeakPolarHBondContact O-CG 3.37Å; I813-L817 PolarHBondContact O-N 2.89Å; I813-I861 HydrophobicContact CG1-CD1 4.39Å; I813-I877 HydrophobicContact CD1-CD1 3.95Å; I813-I877 HydrophobicContact CD1-CG1 3.64Å; I813-L880 HydrophobicContact CB-CD1 4.48Å; I813-L880 HydrophobicContact CD1-CD1 3.98Å; I813-L880 HydrophobicContact CG2-CD1 4.26Å; I813-T884 HydrophobicContact CG2-CG2 4.08Å; I813-W888 HydrophobicContact CG1-CE3 4.41Å; I813-W888 HydrophobicContact CG1-CZ3 4.39Å; I813-W888 HydrophobicContact CG2-CB 4.43Å; I813-W888 HydrophobicContact CG2-CD2 4.09Å; I813-W888 HydrophobicContact CG2-CE3 3.78Å; I813-W888 HydrophobicContact CG2-CG 4.38Å; I813-W888 HydrophobicContact CG2-CZ3 4.42Å
814	D	90.7	Very high	84.2	Confident	50 Å²	50	38.1 Å²	38.1	27%	0.267	20%	0.197	S	C	.	.	H	α-helix	trans	-64	-34.6	177.3	-49.3	-32.4	0	0	0	111.3	H811 K818 T884	H811-D814 HydrophobicContact CB-CB 4.11Å; H811-D814 WeakPolarHBondContact CB-OD2 3.49Å; H811-D814 IonicContact CE1-OD2 3.41Å; H811-D814 IonicContact CG-OD2 3.71Å; H811-D814 IonicContact ND1-OD2 3.83Å; H811-D814 PolarHBondContact ND1-OD2 3.34Å; H811-D814 PolarHBondContact O-N 3.05Å; H811-D814 VanDerWaalsContact O-N 3.09Å; D814-K818 WeakPolarHBondContact O-CB 3.38Å; D814-K818 PolarHBondContact O-N 3.48Å; D814-T884 VanDerWaalsContact OD1-CG2 3.28Å; D814-T884 WeakPolarHBondContact OD1-CG2 3.4Å
815	W	91.7	Very high	82.7	Confident	30 Å²	30	40.3 Å²	40.3	11%	0.114	21%	0.208	C	C	.	.	H	α-helix	trans	-65.7	-45.4	171.1	-80	115.1	0	0	0	112.6	M662 E663 A666 H811 L812 I813 L817 K818 L819	M662-W815 HydrophobicContact CB-CD2 3.9Å; M662-W815 HydrophobicContact CB-CG 3.92Å; M662-W815 HydrophobicContact CB-CZ2 4.37Å; M662-W815 HydrophobicContact CE-CB 3.69Å; M662-W815 HydrophobicContact CE-CG 4.13Å; M662-W815 HydrophobicContact CG-CG 4.32Å; E663-W815 HydrophobicContact CG-CH2 4.1Å; E663-W815 HydrophobicContact CG-CZ2 3.72Å; A666-W815 HydrophobicContact CB-CE3 4.47Å; A666-W815 HydrophobicContact CB-CH2 4.33Å; A666-W815 HydrophobicContact CB-CZ3 3.66Å; H811-W815 VanDerWaalsContact O-CD1 3.26Å; H811-W815 PolarHBondContact O-N 2.99Å; L812-W815 PolarHBondContact O-N 3.18Å; I813-W815 VanDerWaalsContact C-N 3.26Å; I813-W815 PolarHBondContact O-N 2.7Å; W815-L817 VanDerWaalsContact C-N 3.3Å; W815-L817 PolarHBondContact O-N 2.94Å; W815-K818 HydrophobicContact CE3-CD 4.08Å; W815-K818 HydrophobicContact CZ3-CD 4.05Å; W815-K818 VanDerWaalsContact CZ3-NZ 3.32Å; W815-K818 PolarHBondContact O-N 3.17Å; W815-L819 HydrophobicContact CE3-CD1 3.87Å; W815-L819 HydrophobicContact CE3-CG 4.15Å; W815-L819 HydrophobicContact CZ3-CD1 4.47Å; W815-L819 VanDerWaalsContact O-CB 3.29Å; W815-L819 WeakPolarHBondContact O-CB 3.31Å; W815-L819 VanDerWaalsContact O-CG 3.32Å; W815-L819 WeakPolarHBondContact O-CG 3.33Å; W815-L819 PolarHBondContact O-N 3.38Å
816	C	90.4	Very high	81.1	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.5	-40.8	175.1	-71.2	0	0	0	0	112.1	L812 I813 S820 I857 W888	L812-C816 PolarHBondContact O-N 2.74Å; L812-C816 PolarHBondContact O-SG 2.81Å; L812-C816 VanDerWaalsContact O-SG 3.35Å; I813-C816 PolarHBondContact O-N 3.37Å; I813-C816 VanDerWaalsContact O-N 3.15Å; C816-S820 PolarHBondContact O-N 3.44Å; C816-S820 VanDerWaalsContact O-N 3.08Å; C816-I857 VanDerWaalsContact SG-CG2 3.52Å; C816-W888 HydrophobicContact CB-CZ3 4.16Å
817	L	88.9	Confident	79.5	Confident	35 Å²	35	52.5 Å²	52.5	18%	0.183	27%	0.269	C	S	.	.	H	α-helix	trans	-68.8	-47.2	176.7	-68.4	174.7	0	0	0	112.1	I813 W815 L819 S820 T884 L887 W888 F891	I813-L817 HydrophobicContact CG2-CD1 4.08Å; I813-L817 HydrophobicContact CG2-CG 4.49Å; I813-L817 WeakPolarHBondContact O-CG 3.37Å; I813-L817 PolarHBondContact O-N 2.89Å; W815-L817 VanDerWaalsContact C-N 3.3Å; W815-L817 PolarHBondContact O-N 2.94Å; L817-L819 VanDerWaalsContact C-N 3.29Å; L817-L819 PolarHBondContact O-N 3.48Å; L817-S820 WeakPolarHBondContact O-CB 3.4Å; L817-S820 PolarHBondContact O-N 3.2Å; L817-T884 HydrophobicContact CD1-CG2 4Å; L817-L887 HydrophobicContact CD1-CB 3.85Å; L817-L887 HydrophobicContact CD2-CB 4.09Å; L817-L887 WeakPolarHBondContact CD2-O 3.14Å; L817-W888 HydrophobicContact CD2-CE3 4.34Å; L817-W888 HydrophobicContact CG-CE3 4.47Å; L817-F891 HydrophobicContact CD2-CB 3.71Å; L817-F891 HydrophobicContact CD2-CG 4.12Å
818	K	86.8	Confident	78	Confident	145 Å²	145	54.9 Å²	54.9	63%	0.63	28%	0.278	S	S	*	.	H	α-helix	trans	-65	-29.6	179.9	177.3	-176.6	170.5	-167.4	0	113.5	D814 W815	D814-K818 WeakPolarHBondContact O-CB 3.38Å; D814-K818 PolarHBondContact O-N 3.48Å; W815-K818 HydrophobicContact CE3-CD 4.08Å; W815-K818 HydrophobicContact CZ3-CD 4.05Å; W815-K818 VanDerWaalsContact CZ3-NZ 3.32Å; W815-K818 PolarHBondContact O-N 3.17Å
819	L	86.9	Confident	76.3	Confident	10 Å²	10	55.1 Å²	55.1	5%	0.052	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	7	179.9	-58.2	176	0	0	0	112.7	M662 F665 A666 W815 L817 Y850 I854	M662-L819 HydrophobicContact CE-CD1 4.45Å; F665-L819 HydrophobicContact CD1-CD1 3.72Å; F665-L819 HydrophobicContact CE1-CD1 3.97Å; A666-L819 HydrophobicContact CB-CD1 4.17Å; A666-L819 HydrophobicContact CB-CD2 3.77Å; W815-L819 HydrophobicContact CE3-CD1 3.87Å; W815-L819 HydrophobicContact CE3-CG 4.15Å; W815-L819 HydrophobicContact CZ3-CD1 4.47Å; W815-L819 VanDerWaalsContact O-CB 3.29Å; W815-L819 WeakPolarHBondContact O-CB 3.31Å; W815-L819 VanDerWaalsContact O-CG 3.32Å; W815-L819 WeakPolarHBondContact O-CG 3.33Å; W815-L819 PolarHBondContact O-N 3.38Å; L817-L819 VanDerWaalsContact C-N 3.29Å; L817-L819 PolarHBondContact O-N 3.48Å; L819-Y850 HydrophobicContact CB-CE2 4.06Å; L819-Y850 HydrophobicContact CD2-CE1 4.38Å; L819-Y850 VanDerWaalsContact O-CE2 3.31Å; L819-Y850 WeakPolarHBondContact O-CE2 3.42Å; L819-I854 HydrophobicContact CB-CD1 3.8Å; L819-I854 HydrophobicContact CB-CG1 3.96Å; L819-I854 HydrophobicContact CD1-CD1 4.05Å
820	S	83.1	Confident	74.6	Confident	29 Å²	29	58.6 Å²	58.6	20%	0.203	31%	0.305	C	S	.	.			trans	-63.9	126.8	174.9	-176.1	0	0	0	0	110.4	C816 L817 L822 F891	C816-S820 PolarHBondContact O-N 3.44Å; C816-S820 VanDerWaalsContact O-N 3.08Å; L817-S820 WeakPolarHBondContact O-CB 3.4Å; L817-S820 PolarHBondContact O-N 3.2Å; S820-L822 PolarHBondContact O-N 3.41Å; S820-L822 VanDerWaalsContact O-N 3.08Å; S820-F891 WeakPolarHBondContact OG-CD2 3.23Å
821	P	69.4	Low	72.4	Confident	31 Å²	31	64.6 Å²	64.6	20%	0.201	34%	0.338	C	S	.	.			trans	-82.4	30.4	177.7	37.9	-39.2	0	0	0	112.2	W855	P821-W855 HydrophobicContact CG-CZ2 3.9Å
822	L	68.4	Low	70.1	Confident	23 Å²	23	63.2 Å²	63.2	12%	0.12	35%	0.347	C	S	.	.	S	Bend	trans	-116.3	131.8	-175.1	-67.9	168.2	0	0	0	109.5	S820 F891 D894 I898	S820-L822 PolarHBondContact O-N 3.41Å; S820-L822 VanDerWaalsContact O-N 3.08Å; L822-F891 HydrophobicContact CD1-CD2 4.4Å; L822-D894 HydrophobicContact CD1-CB 3.59Å; L822-I898 HydrophobicContact CD1-CD1 4.26Å; L822-I898 HydrophobicContact CD2-CD1 4.29Å
823	P	59.8	Low	68	Low	32 Å²	32	71.6 Å²	71.6	21%	0.208	39%	0.392	C	S	.	.			trans	-63.3	149.5	179.5	26.5	-34.4	0	0	0	111.2	E827 R828 L841	P823-E827 HydrophobicContact CB-CB 4.18Å; P823-R828 HydrophobicContact CG-CG 4.49Å; P823-R828 PolarHBondContact O-NE 3.06Å; P823-R828 PolarHBondContact O-NH2 3.42Å; P823-L841 HydrophobicContact CG-CB 4.16Å
824	S	60.1	Low	66.2	Low	54 Å²	54	74.5 Å²	74.5	38%	0.378	41%	0.412	S	S	.	.			trans	-62.1	157.5	177.3	72.6	0	0	0	0	110.7	D826 E827	S824-D826 PolarHBondContact O-N 3.34Å; S824-D826 VanDerWaalsContact O-N 3.15Å; S824-E827 VanDerWaalsContact CB-OE2 3.28Å; S824-E827 WeakPolarHBondContact CB-OE2 3.28Å; S824-E827 PolarHBondContact N-OE2 3.09Å; S824-E827 PolarHBondContact O-N 3.47Å; S824-E827 WeakPolarHBondContact OG-CG 3.45Å; S824-E827 PolarHBondContact OG-OE2 3.3Å
825	L	57.4	Low	64.4	Low	94 Å²	94	75.5 Å²	75.5	49%	0.492	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-58.3	-29.9	-177.2	-95.5	163.8	0	0	0	113.1	E827 D890	L825-E827 VanDerWaalsContact C-N 3.3Å; L825-E827 PolarHBondContact O-N 3.05Å; L825-D890 HydrophobicContact CD1-CB 3.98Å; L825-D890 VanDerWaalsContact CD1-CG 3.47Å; L825-D890 VanDerWaalsContact CD1-OD2 3.3Å; L825-D890 WeakPolarHBondContact CD1-OD2 3.37Å
826	D	53.9	Low	62.5	Low	161 Å²	161	77.2 Å²	77.2	86%	0.861	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-76	-14.7	178.8	-58.1	-51.5	0	0	0	113.4	S824	S824-D826 PolarHBondContact O-N 3.34Å; S824-D826 VanDerWaalsContact O-N 3.15Å
827	E	56.1	Low	60.6	Low	136 Å²	136	79.2 Å²	79.2	64%	0.636	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-101.8	-0.8	-177.4	-68.9	165.7	137.6	0	0	113.2	P823 S824 L825	P823-E827 HydrophobicContact CB-CB 4.18Å; S824-E827 VanDerWaalsContact CB-OE2 3.28Å; S824-E827 WeakPolarHBondContact CB-OE2 3.28Å; S824-E827 PolarHBondContact N-OE2 3.09Å; S824-E827 PolarHBondContact O-N 3.47Å; S824-E827 WeakPolarHBondContact OG-CG 3.45Å; S824-E827 PolarHBondContact OG-OE2 3.3Å; L825-E827 VanDerWaalsContact C-N 3.3Å; L825-E827 PolarHBondContact O-N 3.05Å
828	R	58.7	Low	58.9	Low	54 Å²	54	78.7 Å²	78.7	20%	0.204	44%	0.443	C	S	.	.	S	Bend	trans	-76.7	131.7	-178.6	-63.4	-178.5	-171	-162.1	-5.7	110.8	P823 D894	P823-R828 HydrophobicContact CG-CG 4.49Å; P823-R828 PolarHBondContact O-NE 3.06Å; P823-R828 PolarHBondContact O-NH2 3.42Å; R828-D894 IonicContact CZ-OD1 3.43Å; R828-D894 IonicContact CZ-OD2 3.47Å; R828-D894 IonicContact NH1-OD1 2.69Å; R828-D894 PolarHBondContact NH1-OD1 3.27Å; R828-D894 IonicContact NH1-OD2 2.83Å; R828-D894 PolarHBondContact NH1-OD2 3.03Å; R828-D894 IonicContact NH2-OD1 2.8Å; R828-D894 IonicContact NH2-OD2 3.2Å; R828-D894 PolarHBondContact NH2-OD2 2.93Å
829	P	50.9	Low	57.3	Low	74 Å²	74	73.3 Å²	73.3	48%	0.481	42%	0.423	S	S	.	.			trans	-63.4	140.4	172.7	27.5	-33.7	0	0	0	109.9	D831 L841	P829-D831 PolarHBondContact O-N 2.92Å; P829-L841 HydrophobicContact CG-CD2 4.04Å
830	N	50.5	Low	55.3	Low	166 Å²	166	79.4 Å²	79.4	89%	0.888	45%	0.445	S	S	*	.			trans	-73.6	5	-173.6	-76.5	-79.8	0	0	0	114.6	G832	N830-G832 PolarHBondContact O-N 3.16Å
831	D	41.6	Very low	53.5	Low	144 Å²	144	80.1 Å²	80.1	77%	0.77	45%	0.446	S	S	*	.			trans	-91.2	85.6	-173.3	-72	-49.1	0	0	0	113.2	P829	P829-D831 PolarHBondContact O-N 2.92Å
832	G	44	Very low	52.6	Low	56 Å²	56	79 Å²	79	58%	0.577	44%	0.439	S	S	*	.			trans	60.6	99.5	138.8	0	0	0	0	0	120.4	N830 S834	N830-G832 PolarHBondContact O-N 3.16Å; G832-S834 VanDerWaalsContact C-N 3.25Å; G832-S834 PolarHBondContact O-N 3.01Å
833	D	46.8	Very low	51.4	Low	178 Å²	178	85.6 Å²	85.6	95%	0.952	47%	0.467	S	S	*	.			trans	45.6	20.5	132.8	-62.4	-12.7	0	0	0	120.7
834	S	54.4	Low	50.8	Low	63 Å²	63	90.2 Å²	90.2	44%	0.441	49%	0.49	S	S	.	.			trans	-95	119	171.2	-171.2	0	0	0	0	110.8	G832 N836 C837	G832-S834 VanDerWaalsContact C-N 3.25Å; G832-S834 PolarHBondContact O-N 3.01Å; S834-N836 PolarHBondContact O-N 3.02Å; S834-C837 WeakPolarHBondContact O-CB 3.37Å; S834-C837 PolarHBondContact O-N 3.36Å
835	P	52.1	Low	50.2	Low	71 Å²	71	93.9 Å²	93.9	46%	0.461	51%	0.512	S	S	.	.	H	α-helix	trans	-55.5	-37.7	174.9	-27.2	35.9	0	0	0	112.6	C837 L838 V897 V901	P835-C837 PolarHBondContact O-N 3.44Å; P835-C837 VanDerWaalsContact O-N 3.13Å; P835-L838 PolarHBondContact O-N 3.36Å; P835-V897 HydrophobicContact CB-CG1 3.98Å; P835-V897 WeakPolarHBondContact O-CG1 3.49Å; P835-V901 HydrophobicContact CB-CG2 4.21Å
836	N	51.7	Low	49.9	Very low	66 Å²	66	92.3 Å²	92.3	35%	0.353	51%	0.507	S	S	.	.	H	α-helix	trans	-66.1	-13.1	177.1	-64.2	-2.3	0	0	0	112.8	S834 R840	S834-N836 PolarHBondContact O-N 3.02Å; N836-R840 WeakPolarHBondContact O-CB 3.3Å; N836-R840 WeakPolarHBondContact O-CD 3.46Å; N836-R840 WeakPolarHBondContact O-CG 3.42Å; N836-R840 PolarHBondContact O-N 3.26Å
837	C	52	Low	50.1	Low	41 Å²	41	88.5 Å²	88.5	28%	0.277	48%	0.482	S	S	.	.	H	α-helix	trans	-65.2	-43.5	174.2	-164.7	0	0	0	0	111	S834 P835 V839 R840 L841	S834-C837 WeakPolarHBondContact O-CB 3.37Å; S834-C837 PolarHBondContact O-N 3.36Å; P835-C837 PolarHBondContact O-N 3.44Å; P835-C837 VanDerWaalsContact O-N 3.13Å; C837-V839 PolarHBondContact O-N 3.21Å; C837-R840 CarbonylContact O-C 3.45Å; C837-R840 PolarHBondContact O-N 3.37Å; C837-R840 VanDerWaalsContact O-N 3.14Å; C837-L841 VanDerWaalsContact O-CB 3.28Å; C837-L841 WeakPolarHBondContact O-CB 3.31Å; C837-L841 VanDerWaalsContact O-CG 3.22Å; C837-L841 WeakPolarHBondContact O-CG 3.2Å; C837-L841 PolarHBondContact O-N 2.88Å
838	L	51.8	Low	50.6	Low	24 Å²	24	83.2 Å²	83.2	13%	0.126	46%	0.461	C	S	.	.	H	α-helix	trans	-65.6	-42.8	178.9	-78.8	166.9	0	0	0	112.4	P835 R840 L841 D894 V897	P835-L838 PolarHBondContact O-N 3.36Å; L838-R840 VanDerWaalsContact C-N 3.26Å; L838-R840 PolarHBondContact O-N 2.75Å; L838-L841 HydrophobicContact CD2-CD1 4.42Å; L838-L841 PolarHBondContact O-N 3.13Å; L838-D894 HydrophobicContact CD1-CB 4.37Å; L838-D894 WeakPolarHBondContact CD1-OD1 3.46Å; L838-V897 HydrophobicContact CB-CG1 4.38Å; L838-V897 HydrophobicContact CD1-CB 4Å; L838-V897 HydrophobicContact CD1-CG1 4.05Å; L838-V897 HydrophobicContact CD1-CG2 4.05Å
839	V	53.1	Low	51.4	Low	32 Å²	32	82 Å²	82	19%	0.194	46%	0.464	C	S	.	.	H	α-helix	trans	-60.7	-37.3	173.4	-177.7	0	0	0	0	111	C837 S842 I898 V901	C837-V839 PolarHBondContact O-N 3.21Å; V839-S842 PolarHBondContact O-OG 3.09Å; V839-I898 HydrophobicContact CG2-CG1 4.42Å; V839-V901 HydrophobicContact CG2-CB 3.97Å; V839-V901 HydrophobicContact CG2-CG1 4.05Å; V839-V901 HydrophobicContact CG2-CG2 4.01Å
840	R	45.3	Very low	53.1	Low	138 Å²	138	79.9 Å²	79.9	52%	0.521	45%	0.447	S	S	.	.	H	α-helix	trans	-85.2	-11.6	177.2	-68.6	173.2	176.1	-160.3	-1.3	115	N836 C837 L838 S842 K843	N836-R840 WeakPolarHBondContact O-CB 3.3Å; N836-R840 WeakPolarHBondContact O-CD 3.46Å; N836-R840 WeakPolarHBondContact O-CG 3.42Å; N836-R840 PolarHBondContact O-N 3.26Å; C837-R840 CarbonylContact O-C 3.45Å; C837-R840 PolarHBondContact O-N 3.37Å; C837-R840 VanDerWaalsContact O-N 3.14Å; L838-R840 VanDerWaalsContact C-N 3.26Å; L838-R840 PolarHBondContact O-N 2.75Å; R840-S842 VanDerWaalsContact C-N 3.32Å; R840-K843 VanDerWaalsContact O-CB 3.26Å; R840-K843 WeakPolarHBondContact O-CB 3.48Å; R840-K843 VanDerWaalsContact O-CD 3.28Å; R840-K843 WeakPolarHBondContact O-CD 3.41Å; R840-K843 WeakPolarHBondContact O-CG 3.43Å
841	L	45.2	Very low	54.6	Low	45 Å²	45	72.6 Å²	72.6	24%	0.236	41%	0.409	C	S	.	.	H	α-helix	trans	-82.4	-12.9	175.2	-84.3	167.9	0	0	0	112.3	P823 P829 C837 L838 K843	P823-L841 HydrophobicContact CG-CB 4.16Å; P829-L841 HydrophobicContact CG-CD2 4.04Å; C837-L841 VanDerWaalsContact O-CB 3.28Å; C837-L841 WeakPolarHBondContact O-CB 3.31Å; C837-L841 VanDerWaalsContact O-CG 3.22Å; C837-L841 WeakPolarHBondContact O-CG 3.2Å; C837-L841 PolarHBondContact O-N 2.88Å; L838-L841 HydrophobicContact CD2-CD1 4.42Å; L838-L841 PolarHBondContact O-N 3.13Å; L841-K843 PolarHBondContact O-N 3.23Å
842	S	49.9	Very low	56.7	Low	7 Å²	7	67 Å²	67	5%	0.049	39%	0.385	C	S	.	.			trans	-67.7	27.5	163.2	68.7	0	0	0	0	113.7	V839 R840 K847	V839-S842 PolarHBondContact O-OG 3.09Å; R840-S842 VanDerWaalsContact C-N 3.32Å; S842-K847 WeakPolarHBondContact O-CE 3.12Å; S842-K847 WeakPolarHBondContact OG-CE 3.36Å; S842-K847 PolarHBondContact OG-NZ 2.69Å
843	K	43.8	Very low	59	Low	162 Å²	162	65.7 Å²	65.7	70%	0.704	36%	0.364	S	S	*	.			trans	-98.1	34.9	-176.4	-87.3	-174.2	-179.2	-169.8	0	113.3	R840 L841	R840-K843 VanDerWaalsContact O-CB 3.26Å; R840-K843 WeakPolarHBondContact O-CB 3.48Å; R840-K843 VanDerWaalsContact O-CD 3.28Å; R840-K843 WeakPolarHBondContact O-CD 3.41Å; R840-K843 WeakPolarHBondContact O-CG 3.43Å; L841-K843 PolarHBondContact O-N 3.23Å
844	D	47.3	Very low	61.1	Low	129 Å²	129	57.2 Å²	57.2	69%	0.69	32%	0.319	S	S	*	.	S	Bend	trans	-55.8	137.6	146	-90.6	-45	0	0	0	108.2	V846	D844-V846 PolarHBondContact O-N 3.12Å
845	P	47	Very low	62.8	Low	130 Å²	130	55 Å²	55	84%	0.844	30%	0.301	S	S	*	.	S	Bend	trans	-66.6	-8.8	-166.9	24.2	-34.2	0	0	0	114.5
846	V	51.6	Low	64.6	Low	62 Å²	62	55.1 Å²	55.1	38%	0.376	30%	0.295	S	S	.	.	S	Bend	trans	-137.1	110.2	169.3	-163.8	0	0	0	0	109.7	Y670 D844 S848	Y670-V846 HydrophobicContact CE1-CG1 3.82Å; Y670-V846 VanDerWaalsContact OH-CG1 3.25Å; Y670-V846 WeakPolarHBondContact OH-CG1 3.44Å; D844-V846 PolarHBondContact O-N 3.12Å; V846-S848 PolarHBondContact O-N 3.31Å
847	K	58.5	Low	66.6	Low	80 Å²	80	52 Å²	52	35%	0.348	28%	0.279	S	S	.	.			trans	-69	125.4	171.1	-70	-179.6	174.8	-177	0	109.8	S842 G849 L923	S842-K847 WeakPolarHBondContact O-CE 3.12Å; S842-K847 WeakPolarHBondContact OG-CE 3.36Å; S842-K847 PolarHBondContact OG-NZ 2.69Å; K847-G849 PolarHBondContact O-N 3.03Å; K847-L923 HydrophobicContact CD-CD1 4.17Å
848	S	67.2	Low	68.4	Low	26 Å²	26	50.1 Å²	50.1	18%	0.182	27%	0.266	C	S	.	.			trans	-59.3	135.6	167.3	-65.9	0	0	0	0	110.4	V846 Y850 S851	V846-S848 PolarHBondContact O-N 3.31Å; S848-Y850 VanDerWaalsContact CB-CZ 3.42Å; S848-Y850 PolarHBondContact O-N 3.25Å; S848-Y850 VanDerWaalsContact O-N 3.11Å; S848-Y850 PolarHBondContact OG-OH 2.91Å; S848-S851 WeakPolarHBondContact O-CB 3.47Å; S848-S851 PolarHBondContact O-N 3.03Å; S848-S851 PolarHBondContact O-OG 2.71Å; S848-S851 VanDerWaalsContact O-OG 3.07Å
849	G	74.7	Confident	70.3	Confident	27 Å²	27	51.1 Å²	51.1	28%	0.278	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19	-176.5	0	0	0	0	0	114.1	P669 K847 S851	P669-G849 WeakPolarHBondContact O-CA 3.05Å; P669-G849 PolarHBondContact O-N 2.87Å; K847-G849 PolarHBondContact O-N 3.03Å; G849-S851 VanDerWaalsContact C-N 3.29Å; G849-S851 PolarHBondContact O-N 3.05Å
850	Y	85.6	Confident	72.2	Confident	30 Å²	30	50.7 Å²	50.7	12%	0.118	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-5.3	173.9	55.6	-122.5	0	0	0	115.4	F665 P669 H675 L819 S848 G852 H853 I854	F665-Y850 HydrophobicContact CD1-CD1 4.22Å; F665-Y850 HydrophobicContact CD1-CG 4.33Å; F665-Y850 HydrophobicContact CE1-CD1 4.06Å; F665-Y850 HydrophobicContact CE1-CD2 4.35Å; F665-Y850 AromaticContact CE1-CG 3.71Å; F665-Y850 HydrophobicContact CE1-CG 3.71Å; F665-Y850 HydrophobicContact CZ-CG 4.44Å; P669-Y850 HydrophobicContact CB-CD1 4.22Å; P669-Y850 HydrophobicContact CB-CE1 3.76Å; H675-Y850 AromaticContact CE1-CD1 3.98Å; H675-Y850 AromaticContact NE2-CD1 3.88Å; L819-Y850 HydrophobicContact CB-CE2 4.06Å; L819-Y850 HydrophobicContact CD2-CE1 4.38Å; L819-Y850 VanDerWaalsContact O-CE2 3.31Å; L819-Y850 WeakPolarHBondContact O-CE2 3.42Å; S848-Y850 VanDerWaalsContact CB-CZ 3.42Å; S848-Y850 PolarHBondContact O-N 3.25Å; S848-Y850 VanDerWaalsContact O-N 3.11Å; S848-Y850 PolarHBondContact OG-OH 2.91Å; Y850-G852 PolarHBondContact O-N 3.42Å; Y850-H853 WeakPolarHBondContact O-CA 3.42Å; Y850-H853 WeakPolarHBondContact O-CB 3.48Å; Y850-H853 PolarHBondContact O-N 3.21Å; Y850-I854 HydrophobicContact CD2-CG1 3.97Å; Y850-I854 PolarHBondContact O-N 3.22Å
851	S	83.5	Confident	74.4	Confident	14 Å²	14	44.1 Å²	44.1	10%	0.098	24%	0.243	C	C	.	.	H	α-helix	trans	-51.5	-54.8	-171.2	46.7	0	0	0	0	113.3	S848 G849 H853 I854 W855	S848-S851 WeakPolarHBondContact O-CB 3.47Å; S848-S851 PolarHBondContact O-N 3.03Å; S848-S851 PolarHBondContact O-OG 2.71Å; S848-S851 VanDerWaalsContact O-OG 3.07Å; G849-S851 VanDerWaalsContact C-N 3.29Å; G849-S851 PolarHBondContact O-N 3.05Å; S851-H853 VanDerWaalsContact C-N 3.3Å; S851-H853 PolarHBondContact O-N 3.1Å; S851-I854 PolarHBondContact O-N 2.98Å; S851-W855 PolarHBondContact O-N 2.76Å; S851-W855 VanDerWaalsContact O-N 3.13Å
852	G	85.9	Confident	76.6	Confident	26 Å²	26	43 Å²	43	27%	0.268	24%	0.238	S	C	.	.	H	α-helix	trans	-63.8	-29.4	174.8	0	0	0	0	0	114.2	Y850 W855 Q856	Y850-G852 PolarHBondContact O-N 3.42Å; G852-W855 PolarHBondContact O-N 3.13Å; G852-Q856 WeakPolarHBondContact O-CG 3.48Å; G852-Q856 PolarHBondContact O-N 3.22Å
853	H	90.7	Very high	78.4	Confident	28 Å²	28	45.1 Å²	45.1	13%	0.13	25%	0.253	C	S	.	.	H	α-helix	trans	-69.3	-39.1	175.5	-72.1	-82	0	0	0	112.2	F665 H675 H676 T679 Y850 S851 Q856 I857	F665-H853 HydrophobicContact CE2-CB 4.22Å; F665-H853 HydrophobicContact CZ-CB 3.88Å; H675-H853 HydrophobicContact CB-CB 4.14Å; H676-H853 VanDerWaalsContact CA-CE1 3.45Å; H676-H853 WeakPolarHBondContact CA-CE1 3.42Å; H676-H853 PolarHBondContact N-CE1 3.15Å; T679-H853 WeakPolarHBondContact OG1-CB 3.05Å; T679-H853 PolarHBondContact OG1-ND1 2.61Å; T679-H853 VanDerWaalsContact OG1-ND1 3.11Å; Y850-H853 WeakPolarHBondContact O-CA 3.42Å; Y850-H853 WeakPolarHBondContact O-CB 3.48Å; Y850-H853 PolarHBondContact O-N 3.21Å; S851-H853 VanDerWaalsContact C-N 3.3Å; S851-H853 PolarHBondContact O-N 3.1Å; H853-Q856 PolarHBondContact O-N 3.19Å; H853-I857 WeakPolarHBondContact O-CD1 3.48Å; H853-I857 VanDerWaalsContact O-CG1 3.28Å; H853-I857 WeakPolarHBondContact O-CG1 3.49Å; H853-I857 PolarHBondContact O-N 2.84Å
854	I	91.9	Very high	80.5	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.2	-40.1	172.4	-66.8	-61.7	0	0	0	110.8	F665 L819 Y850 S851 I857 G858 F891	F665-I854 HydrophobicContact CE1-CD1 3.53Å; F665-I854 HydrophobicContact CE1-CG1 3.93Å; F665-I854 HydrophobicContact CZ-CD1 3.8Å; F665-I854 HydrophobicContact CZ-CG1 4.15Å; L819-I854 HydrophobicContact CB-CD1 3.8Å; L819-I854 HydrophobicContact CB-CG1 3.96Å; L819-I854 HydrophobicContact CD1-CD1 4.05Å; Y850-I854 HydrophobicContact CD2-CG1 3.97Å; Y850-I854 PolarHBondContact O-N 3.22Å; S851-I854 PolarHBondContact O-N 2.98Å; I854-I857 PolarHBondContact O-N 2.71Å; I854-G858 PolarHBondContact O-N 2.74Å; I854-F891 HydrophobicContact CG2-CE2 4.4Å; I854-F891 HydrophobicContact CG2-CZ 4.22Å
855	W	89.4	Confident	82.4	Confident	17 Å²	17	32.9 Å²	32.9	6%	0.064	19%	0.194	C	C	.	.	H	α-helix	trans	-64.9	-40.9	174.5	-61.2	-15.4	0	0	0	112.5	P821 S851 G852 I857 G858 N859 L895 I898 L923	P821-W855 HydrophobicContact CG-CZ2 3.9Å; S851-W855 PolarHBondContact O-N 2.76Å; S851-W855 VanDerWaalsContact O-N 3.13Å; G852-W855 PolarHBondContact O-N 3.13Å; W855-I857 PolarHBondContact O-N 3.42Å; W855-G858 PolarHBondContact O-N 3.4Å; W855-N859 WeakPolarHBondContact O-CB 3.35Å; W855-N859 PolarHBondContact O-N 3.45Å; W855-L895 HydrophobicContact CB-CD1 3.74Å; W855-L895 HydrophobicContact CG-CD1 3.9Å; W855-I898 HydrophobicContact CD2-CD1 4.39Å; W855-I898 HydrophobicContact CD2-CG2 4.45Å; W855-I898 HydrophobicContact CE3-CG2 3.96Å; W855-I898 HydrophobicContact CH2-CD1 4.3Å; W855-I898 HydrophobicContact CH2-CG2 4.25Å; W855-I898 HydrophobicContact CZ2-CD1 3.81Å; W855-I898 HydrophobicContact CZ3-CG2 3.85Å; W855-L923 HydrophobicContact CH2-CD1 3.89Å; W855-L923 HydrophobicContact CZ3-CD1 4.09Å
856	Q	90.7	Very high	84.3	Confident	74 Å²	74	32.7 Å²	32.7	35%	0.346	19%	0.186	S	C	.	.	H	α-helix	trans	-60.5	-43.1	172.5	-76.4	-175.4	16.4	0	0	112.3	T679 G852 H853 N859 L860	T679-Q856 HydrophobicContact CG2-CB 4.3Å; G852-Q856 WeakPolarHBondContact O-CG 3.48Å; G852-Q856 PolarHBondContact O-N 3.22Å; H853-Q856 PolarHBondContact O-N 3.19Å; Q856-N859 PolarHBondContact O-N 3.36Å; Q856-L860 VanDerWaalsContact O-CB 3.31Å; Q856-L860 WeakPolarHBondContact O-CB 3.46Å; Q856-L860 PolarHBondContact O-N 3.11Å
857	I	92.9	Very high	85.9	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-66.6	-39.9	176.5	-64.2	160.6	0	0	0	110.6	T679 I682 L812 C816 H853 I854 W855 L860 I861	T679-I857 HydrophobicContact CG2-CG1 4.29Å; I682-I857 HydrophobicContact CD1-CD1 3.65Å; I682-I857 HydrophobicContact CD1-CG1 4.06Å; I682-I857 HydrophobicContact CD1-CG2 4.48Å; I682-I857 HydrophobicContact CG2-CG2 4.37Å; L812-I857 HydrophobicContact CD1-CG2 4.2Å; C816-I857 VanDerWaalsContact SG-CG2 3.52Å; H853-I857 WeakPolarHBondContact O-CD1 3.48Å; H853-I857 VanDerWaalsContact O-CG1 3.28Å; H853-I857 WeakPolarHBondContact O-CG1 3.49Å; H853-I857 PolarHBondContact O-N 2.84Å; I854-I857 PolarHBondContact O-N 2.71Å; W855-I857 PolarHBondContact O-N 3.42Å; I857-L860 WeakPolarHBondContact O-CB 3.37Å; I857-L860 PolarHBondContact O-N 3.49Å; I857-I861 HydrophobicContact CG2-CD1 4.05Å; I857-I861 WeakPolarHBondContact O-CG1 2.97Å; I857-I861 PolarHBondContact O-N 3.33Å
858	G	91.2	Very high	86.8	Confident	0 Å²	0	31 Å²	31	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.7	-51.5	173.2	0	0	0	0	0	112.6	I854 W855 L860 I861 V862	I854-G858 PolarHBondContact O-N 2.74Å; W855-G858 PolarHBondContact O-N 3.4Å; G858-L860 VanDerWaalsContact C-N 3.31Å; G858-L860 PolarHBondContact O-N 2.98Å; G858-I861 PolarHBondContact O-N 3.19Å; G858-V862 WeakPolarHBondContact O-CG2 3.44Å; G858-V862 PolarHBondContact O-N 3.02Å
859	N	91.4	Very high	87.3	Confident	46 Å²	46	32.7 Å²	32.7	25%	0.246	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-34.5	178.7	-81.8	-26.8	0	0	0	112.5	W855 Q856 S863 L895 N899	W855-N859 WeakPolarHBondContact O-CB 3.35Å; W855-N859 PolarHBondContact O-N 3.45Å; Q856-N859 PolarHBondContact O-N 3.36Å; N859-S863 VanDerWaalsContact O-CB 3.23Å; N859-S863 WeakPolarHBondContact O-CB 3.4Å; N859-S863 PolarHBondContact O-N 3.3Å; N859-S863 PolarHBondContact O-OG 3.48Å; N859-L895 VanDerWaalsContact OD1-CD2 3.31Å; N859-L895 WeakPolarHBondContact OD1-CD2 3.44Å; N859-L895 WeakPolarHBondContact OD1-CG 3.39Å; N859-N899 PolarHBondContact ND2-OD1 2.98Å; N859-N899 PolarHBondContact OD1-ND2 3.36Å
860	L	92.5	Very high	87.6	Confident	23 Å²	23	31.5 Å²	31.5	12%	0.12	18%	0.18	C	C	.	.	H	α-helix	trans	-62.9	-47.3	172.4	-179.6	75.3	0	0	0	111.7	I682 K683 F686 V692 Q856 I857 G858 S863 A864	I682-L860 HydrophobicContact CG2-CD2 3.82Å; K683-L860 HydrophobicContact CG-CD2 4.22Å; F686-L860 HydrophobicContact CB-CD1 4.22Å; F686-L860 HydrophobicContact CB-CD2 4.11Å; F686-L860 HydrophobicContact CB-CG 4.27Å; F686-L860 HydrophobicContact CD1-CD2 4.48Å; F686-L860 HydrophobicContact CD1-CG 4.27Å; F686-L860 HydrophobicContact CD2-CD2 3.97Å; F686-L860 HydrophobicContact CG-CD2 3.93Å; F686-L860 HydrophobicContact CG-CG 4.14Å; V692-L860 HydrophobicContact CG2-CD1 3.99Å; Q856-L860 VanDerWaalsContact O-CB 3.31Å; Q856-L860 WeakPolarHBondContact O-CB 3.46Å; Q856-L860 PolarHBondContact O-N 3.11Å; I857-L860 WeakPolarHBondContact O-CB 3.37Å; I857-L860 PolarHBondContact O-N 3.49Å; G858-L860 VanDerWaalsContact C-N 3.31Å; G858-L860 PolarHBondContact O-N 2.98Å; L860-S863 PolarHBondContact O-N 3.08Å; L860-A864 WeakPolarHBondContact O-CB 3.41Å; L860-A864 PolarHBondContact O-N 3.46Å
861	I	91.9	Very high	87.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-43.7	178	-63.7	164.4	0	0	0	110.3	F686 L812 I813 I857 G858 S863 A864 M865 L873 I877 W888	F686-I861 HydrophobicContact CE1-CG1 4.24Å; F686-I861 HydrophobicContact CZ-CG1 3.9Å; L812-I861 HydrophobicContact CD2-CD1 4.22Å; L812-I861 HydrophobicContact CG-CD1 4.35Å; I813-I861 HydrophobicContact CG1-CD1 4.39Å; I857-I861 HydrophobicContact CG2-CD1 4.05Å; I857-I861 WeakPolarHBondContact O-CG1 2.97Å; I857-I861 PolarHBondContact O-N 3.33Å; G858-I861 PolarHBondContact O-N 3.19Å; I861-S863 VanDerWaalsContact C-N 3.33Å; I861-S863 PolarHBondContact O-N 3.01Å; I861-A864 WeakPolarHBondContact O-CB 3.47Å; I861-A864 PolarHBondContact O-N 2.98Å; I861-M865 HydrophobicContact CG2-SD 4.39Å; I861-M865 WeakPolarHBondContact O-CG 3.32Å; I861-M865 PolarHBondContact O-N 3.06Å; I861-L873 HydrophobicContact CG2-CD2 4.44Å; I861-I877 HydrophobicContact CG2-CD1 4.42Å; I861-W888 HydrophobicContact CB-CH2 4.04Å; I861-W888 HydrophobicContact CB-CZ2 3.98Å; I861-W888 HydrophobicContact CD1-CH2 3.93Å; I861-W888 HydrophobicContact CG2-CH2 4Å; I861-W888 HydrophobicContact CG2-CZ2 3.53Å
862	V	90.6	Very high	87.8	Confident	22 Å²	22	38.1 Å²	38.1	13%	0.133	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-39.3	176.9	172.7	0	0	0	0	111.6	G858 M865 N866 W888 V892	G858-V862 WeakPolarHBondContact O-CG2 3.44Å; G858-V862 PolarHBondContact O-N 3.02Å; V862-M865 WeakPolarHBondContact O-CB 3.47Å; V862-M865 PolarHBondContact O-N 2.69Å; V862-N866 PolarHBondContact O-N 2.93Å; V862-N866 VanDerWaalsContact O-N 3.15Å; V862-N866 PolarHBondContact O-ND2 3.23Å; V862-N866 VanDerWaalsContact O-ND2 3.13Å; V862-W888 HydrophobicContact CG2-CZ2 4.4Å; V862-V892 HydrophobicContact CG2-CB 4.5Å; V862-V892 HydrophobicContact CG2-CG1 3.98Å; V862-V892 HydrophobicContact CG2-CG2 3.68Å
863	S	88.9	Confident	87.9	Confident	51 Å²	51	36.9 Å²	36.9	36%	0.357	20%	0.197	S	C	.	.	H	α-helix	trans	-64.1	-41.8	174.5	-68.9	0	0	0	0	111.7	N859 L860 I861 M865 N866 G867	N859-S863 VanDerWaalsContact O-CB 3.23Å; N859-S863 WeakPolarHBondContact O-CB 3.4Å; N859-S863 PolarHBondContact O-N 3.3Å; N859-S863 PolarHBondContact O-OG 3.48Å; L860-S863 PolarHBondContact O-N 3.08Å; I861-S863 VanDerWaalsContact C-N 3.33Å; I861-S863 PolarHBondContact O-N 3.01Å; S863-M865 PolarHBondContact O-N 3Å; S863-N866 CarbonylContact O-C 3.58Å; S863-N866 PolarHBondContact O-N 3.17Å; S863-N866 VanDerWaalsContact O-N 3.14Å; S863-G867 PolarHBondContact O-N 2.61Å
864	A	87.6	Confident	87.8	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.6	-34.7	173.8	0	0	0	0	0	113.1	F686 L691 V692 L860 I861 N866 G867 G870 L873	F686-A864 HydrophobicContact CD1-CB 3.7Å; F686-A864 HydrophobicContact CE1-CB 3.77Å; L691-A864 HydrophobicContact CB-CB 3.96Å; L691-A864 HydrophobicContact CD2-CB 4.3Å; V692-A864 HydrophobicContact CG2-CB 4.04Å; L860-A864 WeakPolarHBondContact O-CB 3.41Å; L860-A864 PolarHBondContact O-N 3.46Å; I861-A864 WeakPolarHBondContact O-CB 3.47Å; I861-A864 PolarHBondContact O-N 2.98Å; A864-N866 PolarHBondContact O-N 2.87Å; A864-G867 PolarHBondContact O-N 3.47Å; A864-G867 VanDerWaalsContact O-N 3.16Å; A864-G870 WeakPolarHBondContact O-CA 3.28Å; A864-L873 HydrophobicContact CB-CD2 3.49Å; A864-L873 VanDerWaalsContact CB-CD2 3.49Å
865	M	87.6	Confident	87.7	Confident	34 Å²	34	41.7 Å²	41.7	17%	0.167	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-24.3	172.6	-70.5	174.7	73.4	0	0	112.6	I861 V862 S863 G870 L873 K874 I877	I861-M865 HydrophobicContact CG2-SD 4.39Å; I861-M865 WeakPolarHBondContact O-CG 3.32Å; I861-M865 PolarHBondContact O-N 3.06Å; V862-M865 WeakPolarHBondContact O-CB 3.47Å; V862-M865 PolarHBondContact O-N 2.69Å; S863-M865 PolarHBondContact O-N 3Å; M865-G870 WeakPolarHBondContact O-CA 3.31Å; M865-L873 HydrophobicContact CG-CB 4.45Å; M865-L873 HydrophobicContact CG-CD2 3.82Å; M865-L873 HydrophobicContact CG-CG 4.07Å; M865-K874 HydrophobicContact CE-CG 4.05Å; M865-K874 WeakPolarHBondContact O-CE 3.31Å; M865-I877 HydrophobicContact CE-CD1 3.84Å; M865-I877 HydrophobicContact CG-CD1 3.95Å; M865-I877 HydrophobicContact SD-CD1 3.46Å; M865-I877 WeakPolarHBondContact SD-CD1 3.36Å
866	N	86.8	Confident	87.6	Confident	125 Å²	125	41.1 Å²	41.1	67%	0.668	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-3.1	175.1	-64.9	-38.7	0	0	0	113	V862 S863 A864	V862-N866 PolarHBondContact O-N 2.93Å; V862-N866 VanDerWaalsContact O-N 3.15Å; V862-N866 PolarHBondContact O-ND2 3.23Å; V862-N866 VanDerWaalsContact O-ND2 3.13Å; S863-N866 CarbonylContact O-C 3.58Å; S863-N866 PolarHBondContact O-N 3.17Å; S863-N866 VanDerWaalsContact O-N 3.14Å; A864-N866 PolarHBondContact O-N 2.87Å
867	G	83.9	Confident	87.5	Confident	25 Å²	25	38.2 Å²	38.2	26%	0.258	21%	0.209	S	C	.	.	S	Bend	trans	-82.5	-174.9	-178.1	0	0	0	0	0	114.4	S863 A864 Y869 G870	S863-G867 PolarHBondContact O-N 2.61Å; A864-G867 PolarHBondContact O-N 3.47Å; A864-G867 VanDerWaalsContact O-N 3.16Å; G867-Y869 PolarHBondContact O-N 3.28Å; G867-Y869 VanDerWaalsContact O-N 3.08Å; G867-G870 PolarHBondContact O-N 2.94Å
868	P	77.1	Confident	87.2	Confident	81 Å²	81	44.8 Å²	44.8	53%	0.526	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.5	-173.2	25.2	-34.8	0	0	0	114.6
869	Y	77.8	Confident	87	Confident	62 Å²	62	49.9 Å²	49.9	24%	0.243	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	22.3	175.1	-50	-67.6	0	0	0	112.4	G690 C795 G867 E871 F872 L873	G690-Y869 VanDerWaalsContact O-CD2 3.31Å; G690-Y869 WeakPolarHBondContact O-CD2 3.2Å; G690-Y869 WeakPolarHBondContact O-CE2 3.21Å; C795-Y869 HydrophobicContact CB-CD1 3.7Å; C795-Y869 HydrophobicContact CB-CD2 3.95Å; C795-Y869 HydrophobicContact CB-CE1 3.42Å; C795-Y869 VanDerWaalsContact CB-CE1 3.42Å; C795-Y869 HydrophobicContact CB-CE2 3.7Å; C795-Y869 HydrophobicContact CB-CG 3.97Å; C795-Y869 VanDerWaalsContact CB-CZ 3.43Å; C795-Y869 PolarHBondContact N-OH 3.39Å; C795-Y869 VanDerWaalsContact N-OH 3.07Å; G867-Y869 PolarHBondContact O-N 3.28Å; G867-Y869 VanDerWaalsContact O-N 3.08Å; Y869-E871 VanDerWaalsContact C-N 3.32Å; Y869-E871 PolarHBondContact O-N 3.08Å; Y869-F872 WeakPolarHBondContact O-CB 3.26Å; Y869-F872 PolarHBondContact O-N 3.1Å; Y869-F872 VanDerWaalsContact O-N 3.11Å; Y869-L873 PolarHBondContact O-N 2.87Å
870	G	82.6	Confident	86.8	Confident	3 Å²	3	49 Å²	49	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-57.1	-37	-175.3	0	0	0	0	0	114.7	A864 M865 G867 F872 L873 K874	A864-G870 WeakPolarHBondContact O-CA 3.28Å; M865-G870 WeakPolarHBondContact O-CA 3.31Å; G867-G870 PolarHBondContact O-N 2.94Å; G870-F872 PolarHBondContact O-N 2.98Å; G870-L873 PolarHBondContact O-N 3.27Å; G870-K874 WeakPolarHBondContact O-CB 3.37Å; G870-K874 VanDerWaalsContact O-CG 3.25Å; G870-K874 WeakPolarHBondContact O-CG 3.24Å; G870-K874 PolarHBondContact O-N 3.47Å
871	E	84.3	Confident	86.7	Confident	136 Å²	136	51.9 Å²	51.9	64%	0.636	28%	0.278	S	S	*	.	H	α-helix	trans	-64.1	-37.1	177	-62.8	-52.9	118.7	0	0	113	Y869 K874 S875	Y869-E871 VanDerWaalsContact C-N 3.32Å; Y869-E871 PolarHBondContact O-N 3.08Å; E871-K874 IonicContact OE1-NZ 2.84Å; E871-K874 PolarHBondContact OE1-NZ 3.26Å; E871-S875 PolarHBondContact O-N 2.95Å; E871-S875 PolarHBondContact O-OG 3.4Å
872	F	88.9	Confident	86.5	Confident	46 Å²	46	56.4 Å²	56.4	20%	0.202	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-46.8	172.8	156.8	-104.3	0	0	0	110.3	K800 I803 I804 Y869 G870 K874 S875 L876	K800-F872 HydrophobicContact CB-CE1 4.27Å; K800-F872 HydrophobicContact CB-CE2 4.06Å; K800-F872 HydrophobicContact CB-CZ 3.69Å; K800-F872 HydrophobicContact CD-CD2 4.34Å; K800-F872 HydrophobicContact CD-CE2 4.15Å; K800-F872 HydrophobicContact CD-CZ 4.46Å; K800-F872 HydrophobicContact CG-CE1 4.26Å; K800-F872 HydrophobicContact CG-CE2 4.21Å; K800-F872 HydrophobicContact CG-CZ 4.02Å; I803-F872 HydrophobicContact CB-CE1 4.39Å; I803-F872 HydrophobicContact CG2-CE1 4.17Å; I804-F872 HydrophobicContact CD1-CE2 4.27Å; I804-F872 HydrophobicContact CD1-CZ 4.38Å; I804-F872 HydrophobicContact CG1-CE2 4.22Å; I804-F872 HydrophobicContact CG1-CZ 4.02Å; Y869-F872 WeakPolarHBondContact O-CB 3.26Å; Y869-F872 PolarHBondContact O-N 3.1Å; Y869-F872 VanDerWaalsContact O-N 3.11Å; G870-F872 PolarHBondContact O-N 2.98Å; F872-K874 PolarHBondContact O-N 3.44Å; F872-S875 PolarHBondContact O-N 3.27Å; F872-S875 PolarHBondContact O-OG 3.49Å; F872-L876 PolarHBondContact O-N 3.41Å
873	L	86.8	Confident	86.3	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-66	-37.3	179.7	-163.2	62	0	0	0	112.6	F686 I803 I807 I861 A864 M865 Y869 G870 L876 I877	F686-L873 HydrophobicContact CE1-CD2 4.38Å; I803-L873 HydrophobicContact CG2-CD1 3.9Å; I807-L873 HydrophobicContact CD1-CD1 3.44Å; I807-L873 VanDerWaalsContact CD1-CD1 3.44Å; I861-L873 HydrophobicContact CG2-CD2 4.44Å; A864-L873 HydrophobicContact CB-CD2 3.49Å; A864-L873 VanDerWaalsContact CB-CD2 3.49Å; M865-L873 HydrophobicContact CG-CB 4.45Å; M865-L873 HydrophobicContact CG-CD2 3.82Å; M865-L873 HydrophobicContact CG-CG 4.07Å; Y869-L873 PolarHBondContact O-N 2.87Å; G870-L873 PolarHBondContact O-N 3.27Å; L873-L876 HydrophobicContact CD1-CD2 4.39Å; L873-L876 PolarHBondContact O-N 3.08Å; L873-I877 HydrophobicContact CG-CD1 4.34Å; L873-I877 VanDerWaalsContact O-CG1 3.31Å; L873-I877 WeakPolarHBondContact O-CG1 3.33Å; L873-I877 PolarHBondContact O-N 2.89Å
874	K	89	Confident	86.2	Confident	74 Å²	74	60.9 Å²	60.9	32%	0.322	32%	0.32	S	S	.	.	H	α-helix	trans	-60.1	-47.3	171.3	-71.6	168.7	-159.5	171.7	0	111.7	M865 G870 E871 F872 L876 I877 Q878	M865-K874 HydrophobicContact CE-CG 4.05Å; M865-K874 WeakPolarHBondContact O-CE 3.31Å; G870-K874 WeakPolarHBondContact O-CB 3.37Å; G870-K874 VanDerWaalsContact O-CG 3.25Å; G870-K874 WeakPolarHBondContact O-CG 3.24Å; G870-K874 PolarHBondContact O-N 3.47Å; E871-K874 IonicContact OE1-NZ 2.84Å; E871-K874 PolarHBondContact OE1-NZ 3.26Å; F872-K874 PolarHBondContact O-N 3.44Å; K874-L876 VanDerWaalsContact C-N 3.31Å; K874-L876 PolarHBondContact O-N 3.2Å; K874-I877 PolarHBondContact O-N 3.04Å; K874-Q878 WeakPolarHBondContact O-CB 3.42Å; K874-Q878 PolarHBondContact O-N 3.12Å
875	S	89.2	Confident	86.2	Confident	55 Å²	55	63.5 Å²	63.5	39%	0.385	33%	0.332	S	S	.	.	H	α-helix	trans	-61.3	-39.8	176.6	66.1	0	0	0	0	112.2	E871 F872 I877 Q878 D879	E871-S875 PolarHBondContact O-N 2.95Å; E871-S875 PolarHBondContact O-OG 3.4Å; F872-S875 PolarHBondContact O-N 3.27Å; F872-S875 PolarHBondContact O-OG 3.49Å; S875-I877 VanDerWaalsContact C-N 3.31Å; S875-I877 PolarHBondContact O-N 3.48Å; S875-Q878 CarbonylContact O-C 3.56Å; S875-Q878 PolarHBondContact O-N 3.4Å; S875-Q878 VanDerWaalsContact O-N 3.13Å; S875-D879 PolarHBondContact O-N 2.89Å
876	L	88.6	Confident	86.2	Confident	6 Å²	6	66.9 Å²	66.9	3%	0.031	35%	0.351	C	S	.	.	H	α-helix	trans	-66.2	-32.1	178.7	-165.5	71.5	0	0	0	113.1	I803 I804 I807 K808 F872 L873 K874	I803-L876 HydrophobicContact CG2-CD2 4.26Å; I804-L876 HydrophobicContact CB-CD1 4.48Å; I804-L876 HydrophobicContact CG1-CD1 3.85Å; I804-L876 HydrophobicContact CG1-CD2 4.37Å; I807-L876 HydrophobicContact CB-CD2 4Å; I807-L876 HydrophobicContact CD1-CD2 3.91Å; I807-L876 HydrophobicContact CG2-CD2 4.15Å; I807-L876 HydrophobicContact CG2-CG 4.34Å; K808-L876 HydrophobicContact CD-CD1 4.04Å; K808-L876 VanDerWaalsContact CE-CD1 3.46Å; K808-L876 HydrophobicContact CG-CD1 4.42Å; F872-L876 PolarHBondContact O-N 3.41Å; L873-L876 HydrophobicContact CD1-CD2 4.39Å; L873-L876 PolarHBondContact O-N 3.08Å; K874-L876 VanDerWaalsContact C-N 3.31Å; K874-L876 PolarHBondContact O-N 3.2Å
877	I	87.1	Confident	86.2	Confident	12 Å²	12	64.6 Å²	64.6	6%	0.062	34%	0.338	C	S	.	.	H	α-helix	trans	-76.7	-34.9	172.9	-67.1	168.9	0	0	0	110.7	I813 I861 M865 L873 K874 S875 D879 L880 Q885	I813-I877 HydrophobicContact CD1-CD1 3.95Å; I813-I877 HydrophobicContact CD1-CG1 3.64Å; I861-I877 HydrophobicContact CG2-CD1 4.42Å; M865-I877 HydrophobicContact CE-CD1 3.84Å; M865-I877 HydrophobicContact CG-CD1 3.95Å; M865-I877 HydrophobicContact SD-CD1 3.46Å; M865-I877 WeakPolarHBondContact SD-CD1 3.36Å; L873-I877 HydrophobicContact CG-CD1 4.34Å; L873-I877 VanDerWaalsContact O-CG1 3.31Å; L873-I877 WeakPolarHBondContact O-CG1 3.33Å; L873-I877 PolarHBondContact O-N 2.89Å; K874-I877 PolarHBondContact O-N 3.04Å; S875-I877 VanDerWaalsContact C-N 3.31Å; S875-I877 PolarHBondContact O-N 3.48Å; I877-D879 PolarHBondContact O-N 3.41Å; I877-L880 HydrophobicContact CG2-CD1 4.44Å; I877-L880 VanDerWaalsContact O-CB 3.3Å; I877-L880 WeakPolarHBondContact O-CB 3.26Å; I877-L880 WeakPolarHBondContact O-CG 3.42Å; I877-L880 PolarHBondContact O-N 2.9Å; I877-L880 VanDerWaalsContact O-N 3.13Å; I877-Q885 WeakPolarHBondContact O-CG 3.45Å
878	Q	87.3	Confident	86.5	Confident	140 Å²	140	63.9 Å²	63.9	65%	0.654	33%	0.327	S	S	*	.	H	α-helix	trans	-71.6	-17.6	175.9	-165.2	167.9	30.8	0	0	113.4	K874 S875 L880 Q885	K874-Q878 WeakPolarHBondContact O-CB 3.42Å; K874-Q878 PolarHBondContact O-N 3.12Å; S875-Q878 CarbonylContact O-C 3.56Å; S875-Q878 PolarHBondContact O-N 3.4Å; S875-Q878 VanDerWaalsContact O-N 3.13Å; Q878-L880 VanDerWaalsContact C-N 3.35Å; Q878-Q885 PolarHBondContact O-NE2 3.36Å
879	D	87.7	Confident	87	Confident	107 Å²	107	62.7 Å²	62.7	57%	0.572	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-14.1	168.7	-77	-14.1	0	0	0	113.9	K808 S875 I877	K808-D879 IonicContact NZ-OD2 2.67Å; K808-D879 PolarHBondContact NZ-OD2 3.42Å; S875-D879 PolarHBondContact O-N 2.89Å; I877-D879 PolarHBondContact O-N 3.41Å
880	L	87.5	Confident	87.4	Confident	27 Å²	27	61.5 Å²	61.5	14%	0.141	32%	0.319	C	S	.	.	S	Bend	trans	-71.6	169.2	177.7	-59.9	175.3	0	0	0	111	I813 I877 Q878 T884 Q885	I813-L880 HydrophobicContact CB-CD1 4.48Å; I813-L880 HydrophobicContact CD1-CD1 3.98Å; I813-L880 HydrophobicContact CG2-CD1 4.26Å; I877-L880 HydrophobicContact CG2-CD1 4.44Å; I877-L880 VanDerWaalsContact O-CB 3.3Å; I877-L880 WeakPolarHBondContact O-CB 3.26Å; I877-L880 WeakPolarHBondContact O-CG 3.42Å; I877-L880 PolarHBondContact O-N 2.9Å; I877-L880 VanDerWaalsContact O-N 3.13Å; Q878-L880 VanDerWaalsContact C-N 3.35Å; L880-T884 HydrophobicContact CB-CG2 4.47Å; L880-T884 HydrophobicContact CD1-CG2 4.17Å; L880-Q885 HydrophobicContact CB-CG 4.34Å; L880-Q885 PolarHBondContact O-NE2 3.02Å
881	D	89.1	Confident	87.6	Confident	83 Å²	83	61.7 Å²	61.7	44%	0.444	32%	0.319	S	S	.	.			trans	-66.7	149.5	178.3	80.2	-94.1	0	0	0	112	K883 T884 Q885	D881-K883 PolarHBondContact O-N 3.05Å; D881-K883 VanDerWaalsContact O-N 3.13Å; D881-K883 WeakPolarHBondContact OD2-CA 3.31Å; D881-K883 WeakPolarHBondContact OD2-CB 3.26Å; D881-K883 PolarHBondContact OD2-N 2.86Å; D881-T884 PolarHBondContact O-N 3.41Å; D881-T884 WeakPolarHBondContact OD1-CB 3.3Å; D881-T884 PolarHBondContact OD1-OG1 3.2Å; D881-T884 PolarHBondContact OD2-N 3.49Å; D881-Q885 WeakPolarHBondContact O-CG 3.45Å; D881-Q885 PolarHBondContact O-N 2.96Å
882	P	87.2	Confident	87.8	Confident	95 Å²	95	56.5 Å²	56.5	62%	0.617	30%	0.297	S	S	*	.	H	α-helix	trans	-62.7	-20.5	-175.7	-26.6	36	0	0	0	115.7	N886	P882-N886 VanDerWaalsContact O-CG 3.29Å; P882-N886 PolarHBondContact O-N 3.01Å; P882-N886 PolarHBondContact O-ND2 3.29Å
883	K	87.6	Confident	87.6	Confident	153 Å²	153	59.5 Å²	59.5	67%	0.665	31%	0.31	S	S	*	.	H	α-helix	trans	-75.1	-46.9	175.8	-172.8	-167.8	176	-168.7	0	109.5	D881 Q885 N886 L887	D881-K883 PolarHBondContact O-N 3.05Å; D881-K883 VanDerWaalsContact O-N 3.13Å; D881-K883 WeakPolarHBondContact OD2-CA 3.31Å; D881-K883 WeakPolarHBondContact OD2-CB 3.26Å; D881-K883 PolarHBondContact OD2-N 2.86Å; K883-Q885 VanDerWaalsContact C-N 3.33Å; K883-Q885 PolarHBondContact O-N 2.95Å; K883-N886 PolarHBondContact O-N 3.4Å; K883-L887 HydrophobicContact CG-CD1 4.17Å; K883-L887 WeakPolarHBondContact O-CG 3.46Å; K883-L887 PolarHBondContact O-N 2.9Å
884	T	87.3	Confident	87.4	Confident	15 Å²	15	60 Å²	60	9%	0.092	31%	0.312	C	S	.	.	H	α-helix	trans	-61.9	-39.6	175.4	-61.1	0	0	0	0	111.7	I813 D814 L817 L880 D881 N886 L887 W888	I813-T884 HydrophobicContact CG2-CG2 4.08Å; D814-T884 VanDerWaalsContact OD1-CG2 3.28Å; D814-T884 WeakPolarHBondContact OD1-CG2 3.4Å; L817-T884 HydrophobicContact CD1-CG2 4Å; L880-T884 HydrophobicContact CB-CG2 4.47Å; L880-T884 HydrophobicContact CD1-CG2 4.17Å; D881-T884 PolarHBondContact O-N 3.41Å; D881-T884 WeakPolarHBondContact OD1-CB 3.3Å; D881-T884 PolarHBondContact OD1-OG1 3.2Å; D881-T884 PolarHBondContact OD2-N 3.49Å; T884-N886 PolarHBondContact O-N 2.8Å; T884-L887 PolarHBondContact O-N 3.48Å; T884-W888 VanDerWaalsContact O-CB 3.31Å; T884-W888 WeakPolarHBondContact O-CB 3.41Å; T884-W888 PolarHBondContact O-N 2.75Å
885	Q	87.2	Confident	87.2	Confident	54 Å²	54	56.7 Å²	56.7	25%	0.252	30%	0.298	S	S	.	.	H	α-helix	trans	-59.3	-44.3	173.4	-70.8	-173.9	47.2	0	0	113.1	I877 Q878 L880 D881 K883 S889	I877-Q885 WeakPolarHBondContact O-CG 3.45Å; Q878-Q885 PolarHBondContact O-NE2 3.36Å; L880-Q885 HydrophobicContact CB-CG 4.34Å; L880-Q885 PolarHBondContact O-NE2 3.02Å; D881-Q885 WeakPolarHBondContact O-CG 3.45Å; D881-Q885 PolarHBondContact O-N 2.96Å; K883-Q885 VanDerWaalsContact C-N 3.33Å; K883-Q885 PolarHBondContact O-N 2.95Å; Q885-S889 PolarHBondContact O-N 2.94Å
886	N	86.5	Confident	86.9	Confident	105 Å²	105	58.3 Å²	58.3	56%	0.561	30%	0.302	S	S	*	.	H	α-helix	trans	-65.6	-50.7	177.4	-71.4	-24.1	0	0	0	111	P882 K883 T884 W888 S889 D890	P882-N886 VanDerWaalsContact O-CG 3.29Å; P882-N886 PolarHBondContact O-N 3.01Å; P882-N886 PolarHBondContact O-ND2 3.29Å; K883-N886 PolarHBondContact O-N 3.4Å; T884-N886 PolarHBondContact O-N 2.8Å; N886-W888 VanDerWaalsContact C-N 3.26Å; N886-W888 PolarHBondContact O-N 3.11Å; N886-S889 WeakPolarHBondContact O-CA 3.5Å; N886-S889 VanDerWaalsContact O-CB 3.32Å; N886-S889 WeakPolarHBondContact O-CB 2.86Å; N886-S889 PolarHBondContact O-N 3.15Å; N886-D890 PolarHBondContact O-N 2.86Å; N886-D890 VanDerWaalsContact O-OD2 3.09Å
887	L	87.8	Confident	86.5	Confident	77 Å²	77	59.9 Å²	59.9	40%	0.403	31%	0.312	S	S	.	.	H	α-helix	trans	-57.1	-38.5	177.7	-70	171.6	0	0	0	112.4	L817 K883 T884 D890 F891	L817-L887 HydrophobicContact CD1-CB 3.85Å; L817-L887 HydrophobicContact CD2-CB 4.09Å; L817-L887 WeakPolarHBondContact CD2-O 3.14Å; K883-L887 HydrophobicContact CG-CD1 4.17Å; K883-L887 WeakPolarHBondContact O-CG 3.46Å; K883-L887 PolarHBondContact O-N 2.9Å; T884-L887 PolarHBondContact O-N 3.48Å; L887-D890 PolarHBondContact O-N 2.92Å; L887-F891 VanDerWaalsContact O-CB 3.31Å; L887-F891 WeakPolarHBondContact O-CB 3.31Å; L887-F891 PolarHBondContact O-N 3.15Å
888	W	90	Very high	86.1	Confident	10 Å²	10	59.4 Å²	59.4	4%	0.038	31%	0.31	C	S	.	.	H	α-helix	trans	-66.2	-42.1	172.8	-177	-108.8	0	0	0	112.4	I813 C816 L817 I861 V862 T884 N886 D890 F891 V892	I813-W888 HydrophobicContact CG1-CE3 4.41Å; I813-W888 HydrophobicContact CG1-CZ3 4.39Å; I813-W888 HydrophobicContact CG2-CB 4.43Å; I813-W888 HydrophobicContact CG2-CD2 4.09Å; I813-W888 HydrophobicContact CG2-CE3 3.78Å; I813-W888 HydrophobicContact CG2-CG 4.38Å; I813-W888 HydrophobicContact CG2-CZ3 4.42Å; C816-W888 HydrophobicContact CB-CZ3 4.16Å; L817-W888 HydrophobicContact CD2-CE3 4.34Å; L817-W888 HydrophobicContact CG-CE3 4.47Å; I861-W888 HydrophobicContact CB-CH2 4.04Å; I861-W888 HydrophobicContact CB-CZ2 3.98Å; I861-W888 HydrophobicContact CD1-CH2 3.93Å; I861-W888 HydrophobicContact CG2-CH2 4Å; I861-W888 HydrophobicContact CG2-CZ2 3.53Å; V862-W888 HydrophobicContact CG2-CZ2 4.4Å; T884-W888 VanDerWaalsContact O-CB 3.31Å; T884-W888 WeakPolarHBondContact O-CB 3.41Å; T884-W888 PolarHBondContact O-N 2.75Å; N886-W888 VanDerWaalsContact C-N 3.26Å; N886-W888 PolarHBondContact O-N 3.11Å; W888-D890 VanDerWaalsContact C-N 3.29Å; W888-D890 PolarHBondContact O-N 3.47Å; W888-F891 AromaticContact CE3-CD1 3.8Å; W888-F891 HydrophobicContact CE3-CD1 3.8Å; W888-F891 HydrophobicContact CE3-CE1 4.35Å; W888-F891 HydrophobicContact CH2-CD1 4.21Å; W888-F891 HydrophobicContact CH2-CE1 4.09Å; W888-F891 AromaticContact CZ3-CD1 3.57Å; W888-F891 HydrophobicContact CZ3-CD1 3.57Å; W888-F891 AromaticContact CZ3-CE1 3.65Å; W888-F891 HydrophobicContact CZ3-CE1 3.65Å; W888-V892 HydrophobicContact CD2-CG2 4.18Å; W888-V892 HydrophobicContact CZ2-CG2 3.95Å; W888-V892 WeakPolarHBondContact O-CB 3.4Å; W888-V892 VanDerWaalsContact O-CG2 3.26Å; W888-V892 WeakPolarHBondContact O-CG2 3.39Å; W888-V892 PolarHBondContact O-N 2.86Å
889	S	87.7	Confident	85.8	Confident	56 Å²	56	54.7 Å²	54.7	39%	0.392	29%	0.289	S	S	.	.	H	α-helix	trans	-59.8	-40.1	174	-172.9	0	0	0	0	112	Q885 N886 K893	Q885-S889 PolarHBondContact O-N 2.94Å; N886-S889 WeakPolarHBondContact O-CA 3.5Å; N886-S889 VanDerWaalsContact O-CB 3.32Å; N886-S889 WeakPolarHBondContact O-CB 2.86Å; N886-S889 PolarHBondContact O-N 3.15Å; S889-K893 VanDerWaalsContact O-CE 3.25Å; S889-K893 WeakPolarHBondContact O-CE 3.33Å; S889-K893 VanDerWaalsContact O-CG 3.3Å; S889-K893 WeakPolarHBondContact O-CG 3.4Å; S889-K893 PolarHBondContact O-N 3.25Å; S889-K893 VanDerWaalsContact O-N 3.15Å; S889-K893 VanDerWaalsContact OG-CE 3.27Å; S889-K893 WeakPolarHBondContact OG-CE 3.29Å; S889-K893 PolarHBondContact OG-NZ 2.91Å
890	D	85.3	Confident	85.2	Confident	38 Å²	38	52.8 Å²	52.8	20%	0.203	28%	0.284	C	S	.	.	H	α-helix	trans	-72.7	-46.3	179.6	-63.7	-42.6	0	0	0	112	L825 N886 L887 W888 V892 K893 D894	L825-D890 HydrophobicContact CD1-CB 3.98Å; L825-D890 VanDerWaalsContact CD1-CG 3.47Å; L825-D890 VanDerWaalsContact CD1-OD2 3.3Å; L825-D890 WeakPolarHBondContact CD1-OD2 3.37Å; N886-D890 PolarHBondContact O-N 2.86Å; N886-D890 VanDerWaalsContact O-OD2 3.09Å; L887-D890 PolarHBondContact O-N 2.92Å; W888-D890 VanDerWaalsContact C-N 3.29Å; W888-D890 PolarHBondContact O-N 3.47Å; D890-V892 VanDerWaalsContact C-N 3.28Å; D890-V892 PolarHBondContact O-N 3.48Å; D890-K893 WeakPolarHBondContact O-CB 3.38Å; D890-K893 PolarHBondContact O-N 3.39Å; D890-K893 IonicContact OD1-NZ 3.48Å; D890-K893 PolarHBondContact OD1-NZ 3.38Å; D890-D894 PolarHBondContact O-N 3.32Å
891	F	88	Confident	84.4	Confident	7 Å²	7	51.9 Å²	51.9	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-54.1	-42.5	171.6	173.5	-101.6	0	0	0	112.4	L817 S820 L822 I854 L887 W888 D894 L895	L817-F891 HydrophobicContact CD2-CB 3.71Å; L817-F891 HydrophobicContact CD2-CG 4.12Å; S820-F891 WeakPolarHBondContact OG-CD2 3.23Å; L822-F891 HydrophobicContact CD1-CD2 4.4Å; I854-F891 HydrophobicContact CG2-CE2 4.4Å; I854-F891 HydrophobicContact CG2-CZ 4.22Å; L887-F891 VanDerWaalsContact O-CB 3.31Å; L887-F891 WeakPolarHBondContact O-CB 3.31Å; L887-F891 PolarHBondContact O-N 3.15Å; W888-F891 AromaticContact CE3-CD1 3.8Å; W888-F891 HydrophobicContact CE3-CD1 3.8Å; W888-F891 HydrophobicContact CE3-CE1 4.35Å; W888-F891 HydrophobicContact CH2-CD1 4.21Å; W888-F891 HydrophobicContact CH2-CE1 4.09Å; W888-F891 AromaticContact CZ3-CD1 3.57Å; W888-F891 HydrophobicContact CZ3-CD1 3.57Å; W888-F891 AromaticContact CZ3-CE1 3.65Å; W888-F891 HydrophobicContact CZ3-CE1 3.65Å; F891-D894 PolarHBondContact O-N 3.08Å; F891-L895 HydrophobicContact CE1-CD2 4.11Å; F891-L895 HydrophobicContact CZ-CD2 4.4Å; F891-L895 VanDerWaalsContact O-CB 3.29Å; F891-L895 WeakPolarHBondContact O-CB 3.43Å; F891-L895 PolarHBondContact O-N 3.28Å
892	V	87.1	Confident	83.3	Confident	27 Å²	27	50.8 Å²	50.8	16%	0.164	27%	0.272	C	S	.	.	H	α-helix	trans	-68.6	-31.8	177	171	0	0	0	0	112.1	V862 W888 D890 N896	V862-V892 HydrophobicContact CG2-CB 4.5Å; V862-V892 HydrophobicContact CG2-CG1 3.98Å; V862-V892 HydrophobicContact CG2-CG2 3.68Å; W888-V892 HydrophobicContact CD2-CG2 4.18Å; W888-V892 HydrophobicContact CZ2-CG2 3.95Å; W888-V892 WeakPolarHBondContact O-CB 3.4Å; W888-V892 VanDerWaalsContact O-CG2 3.26Å; W888-V892 WeakPolarHBondContact O-CG2 3.39Å; W888-V892 PolarHBondContact O-N 2.86Å; D890-V892 VanDerWaalsContact C-N 3.28Å; D890-V892 PolarHBondContact O-N 3.48Å; V892-N896 PolarHBondContact O-N 3.49Å; V892-N896 VanDerWaalsContact O-N 3.11Å; V892-N896 PolarHBondContact O-ND2 3.07Å
893	K	86	Confident	82.1	Confident	109 Å²	109	51 Å²	51	47%	0.474	27%	0.271	S	S	.	.	H	α-helix	trans	-64.7	-47.8	172	-67.9	158.5	-152.1	158.6	0	110.6	S889 D890 L895 N896 V897	S889-K893 VanDerWaalsContact O-CE 3.25Å; S889-K893 WeakPolarHBondContact O-CE 3.33Å; S889-K893 VanDerWaalsContact O-CG 3.3Å; S889-K893 WeakPolarHBondContact O-CG 3.4Å; S889-K893 PolarHBondContact O-N 3.25Å; S889-K893 VanDerWaalsContact O-N 3.15Å; S889-K893 VanDerWaalsContact OG-CE 3.27Å; S889-K893 WeakPolarHBondContact OG-CE 3.29Å; S889-K893 PolarHBondContact OG-NZ 2.91Å; D890-K893 WeakPolarHBondContact O-CB 3.38Å; D890-K893 PolarHBondContact O-N 3.39Å; D890-K893 IonicContact OD1-NZ 3.48Å; D890-K893 PolarHBondContact OD1-NZ 3.38Å; K893-L895 PolarHBondContact O-N 3.3Å; K893-N896 PolarHBondContact O-N 2.88Å; K893-V897 PolarHBondContact O-N 2.86Å; K893-V897 VanDerWaalsContact O-N 3.15Å
894	D	82.3	Confident	80.5	Confident	11 Å²	11	45.9 Å²	45.9	6%	0.059	26%	0.257	C	S	.	.	H	α-helix	trans	-63.2	-42.4	179.8	-59.9	-35.9	0	0	0	111.8	L822 R828 L838 D890 F891 N896 V897 I898	L822-D894 HydrophobicContact CD1-CB 3.59Å; R828-D894 IonicContact CZ-OD1 3.43Å; R828-D894 IonicContact CZ-OD2 3.47Å; R828-D894 IonicContact NH1-OD1 2.69Å; R828-D894 PolarHBondContact NH1-OD1 3.27Å; R828-D894 IonicContact NH1-OD2 2.83Å; R828-D894 PolarHBondContact NH1-OD2 3.03Å; R828-D894 IonicContact NH2-OD1 2.8Å; R828-D894 IonicContact NH2-OD2 3.2Å; R828-D894 PolarHBondContact NH2-OD2 2.93Å; L838-D894 HydrophobicContact CD1-CB 4.37Å; L838-D894 WeakPolarHBondContact CD1-OD1 3.46Å; D890-D894 PolarHBondContact O-N 3.32Å; F891-D894 PolarHBondContact O-N 3.08Å; D894-N896 VanDerWaalsContact C-N 3.32Å; D894-N896 PolarHBondContact O-N 2.98Å; D894-V897 WeakPolarHBondContact O-CA 3.4Å; D894-V897 WeakPolarHBondContact O-CB 3.44Å; D894-V897 PolarHBondContact O-N 2.86Å; D894-I898 WeakPolarHBondContact O-CG1 3.3Å; D894-I898 PolarHBondContact O-N 2.99Å
895	L	84.7	Confident	78.7	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-38.2	177.4	-171.3	62.3	0	0	0	112	W855 N859 F891 K893 V897 I898 N899	W855-L895 HydrophobicContact CB-CD1 3.74Å; W855-L895 HydrophobicContact CG-CD1 3.9Å; N859-L895 VanDerWaalsContact OD1-CD2 3.31Å; N859-L895 WeakPolarHBondContact OD1-CD2 3.44Å; N859-L895 WeakPolarHBondContact OD1-CG 3.39Å; F891-L895 HydrophobicContact CE1-CD2 4.11Å; F891-L895 HydrophobicContact CZ-CD2 4.4Å; F891-L895 VanDerWaalsContact O-CB 3.29Å; F891-L895 WeakPolarHBondContact O-CB 3.43Å; F891-L895 PolarHBondContact O-N 3.28Å; K893-L895 PolarHBondContact O-N 3.3Å; L895-V897 VanDerWaalsContact C-N 3.32Å; L895-V897 PolarHBondContact O-N 3.07Å; L895-I898 PolarHBondContact O-N 3.42Å; L895-N899 WeakPolarHBondContact O-CB 3.28Å; L895-N899 PolarHBondContact O-N 3.13Å; L895-N899 PolarHBondContact O-ND2 3.29Å; L895-N899 PolarHBondContact O-OD1 2.99Å
896	N	83.4	Confident	76.8	Confident	89 Å²	89	50.3 Å²	50.3	48%	0.476	28%	0.283	S	S	.	.	H	α-helix	trans	-64.4	-35	171.7	-77.4	-59.7	0	0	0	112.6	V892 K893 D894 S900	V892-N896 PolarHBondContact O-N 3.49Å; V892-N896 VanDerWaalsContact O-N 3.11Å; V892-N896 PolarHBondContact O-ND2 3.07Å; K893-N896 PolarHBondContact O-N 2.88Å; D894-N896 VanDerWaalsContact C-N 3.32Å; D894-N896 PolarHBondContact O-N 2.98Å; N896-S900 WeakPolarHBondContact O-CB 3.37Å; N896-S900 PolarHBondContact O-N 2.91Å; N896-S900 VanDerWaalsContact O-N 3.07Å; N896-S900 PolarHBondContact O-OG 3.29Å
897	V	79.7	Confident	74.7	Confident	39 Å²	39	48.1 Å²	48.1	24%	0.236	28%	0.276	C	S	.	.	H	α-helix	trans	-66.9	-46.6	173.6	177.3	0	0	0	0	110.7	P835 L838 K893 D894 L895 S900 V901	P835-V897 HydrophobicContact CB-CG1 3.98Å; P835-V897 WeakPolarHBondContact O-CG1 3.49Å; L838-V897 HydrophobicContact CB-CG1 4.38Å; L838-V897 HydrophobicContact CD1-CB 4Å; L838-V897 HydrophobicContact CD1-CG1 4.05Å; L838-V897 HydrophobicContact CD1-CG2 4.05Å; K893-V897 PolarHBondContact O-N 2.86Å; K893-V897 VanDerWaalsContact O-N 3.15Å; D894-V897 WeakPolarHBondContact O-CA 3.4Å; D894-V897 WeakPolarHBondContact O-CB 3.44Å; D894-V897 PolarHBondContact O-N 2.86Å; L895-V897 VanDerWaalsContact C-N 3.32Å; L895-V897 PolarHBondContact O-N 3.07Å; V897-S900 PolarHBondContact O-N 3.38Å; V897-S900 VanDerWaalsContact O-N 3.12Å; V897-S900 PolarHBondContact O-OG 3.42Å; V897-V901 PolarHBondContact O-N 3.29Å; V897-V901 VanDerWaalsContact O-N 3.09Å
898	I	78.5	Confident	72.4	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.015	28%	0.281	C	S	.	.	H	α-helix	trans	-56.8	-54.2	177	-65.4	162.4	0	0	0	110.5	L822 V839 W855 D894 L895 S900 V901 E902	L822-I898 HydrophobicContact CD1-CD1 4.26Å; L822-I898 HydrophobicContact CD2-CD1 4.29Å; V839-I898 HydrophobicContact CG2-CG1 4.42Å; W855-I898 HydrophobicContact CD2-CD1 4.39Å; W855-I898 HydrophobicContact CD2-CG2 4.45Å; W855-I898 HydrophobicContact CE3-CG2 3.96Å; W855-I898 HydrophobicContact CH2-CD1 4.3Å; W855-I898 HydrophobicContact CH2-CG2 4.25Å; W855-I898 HydrophobicContact CZ2-CD1 3.81Å; W855-I898 HydrophobicContact CZ3-CG2 3.85Å; D894-I898 WeakPolarHBondContact O-CG1 3.3Å; D894-I898 PolarHBondContact O-N 2.99Å; L895-I898 PolarHBondContact O-N 3.42Å; I898-S900 PolarHBondContact O-N 3.24Å; I898-S900 VanDerWaalsContact O-N 3.16Å; I898-V901 PolarHBondContact O-N 2.94Å; I898-E902 HydrophobicContact CG2-CG 4.48Å; I898-E902 PolarHBondContact O-N 2.86Å
899	N	81	Confident	70	Confident	41 Å²	41	53.5 Å²	53.5	22%	0.219	31%	0.31	C	S	.	.	H	α-helix	trans	-53.7	-37.9	176.5	-65.4	-20	0	0	0	111.9	N859 L895 V903	N859-N899 PolarHBondContact ND2-OD1 2.98Å; N859-N899 PolarHBondContact OD1-ND2 3.36Å; L895-N899 WeakPolarHBondContact O-CB 3.28Å; L895-N899 PolarHBondContact O-N 3.13Å; L895-N899 PolarHBondContact O-ND2 3.29Å; L895-N899 PolarHBondContact O-OD1 2.99Å; N899-V903 WeakPolarHBondContact O-CG2 3.5Å; N899-V903 PolarHBondContact O-N 2.86Å
900	S	75.2	Confident	67.6	Low	66 Å²	66	55 Å²	55	46%	0.462	33%	0.326	S	S	.	.	H	α-helix	trans	-71.8	-29	179.6	76.3	0	0	0	0	114	N896 V897 I898 A904	N896-S900 WeakPolarHBondContact O-CB 3.37Å; N896-S900 PolarHBondContact O-N 2.91Å; N896-S900 VanDerWaalsContact O-N 3.07Å; N896-S900 PolarHBondContact O-OG 3.29Å; V897-S900 PolarHBondContact O-N 3.38Å; V897-S900 VanDerWaalsContact O-N 3.12Å; V897-S900 PolarHBondContact O-OG 3.42Å; I898-S900 PolarHBondContact O-N 3.24Å; I898-S900 VanDerWaalsContact O-N 3.16Å; S900-A904 PolarHBondContact O-N 3.47Å
901	V	70.8	Confident	65.4	Low	8 Å²	8	59.8 Å²	59.8	5%	0.048	35%	0.35	C	S	.	.	H	α-helix	trans	-78.3	-43.8	175.6	176.3	0	0	0	0	110.5	P835 V839 V897 I898 V903 A904 E905	P835-V901 HydrophobicContact CB-CG2 4.21Å; V839-V901 HydrophobicContact CG2-CB 3.97Å; V839-V901 HydrophobicContact CG2-CG1 4.05Å; V839-V901 HydrophobicContact CG2-CG2 4.01Å; V897-V901 PolarHBondContact O-N 3.29Å; V897-V901 VanDerWaalsContact O-N 3.09Å; I898-V901 PolarHBondContact O-N 2.94Å; V901-V903 VanDerWaalsContact C-N 3.29Å; V901-V903 PolarHBondContact O-N 2.93Å; V901-A904 WeakPolarHBondContact O-CB 3.3Å; V901-A904 PolarHBondContact O-N 2.87Å; V901-E905 HydrophobicContact CG1-CG 4.12Å; V901-E905 PolarHBondContact O-N 3.1Å
902	E	67.1	Low	62.7	Low	61 Å²	61	66.3 Å²	66.3	29%	0.285	38%	0.381	S	S	.	.	H	α-helix	trans	-57.6	-40.7	177.1	-70	179.3	-176.9	0	0	112.1	I898 T906	I898-E902 HydrophobicContact CG2-CG 4.48Å; I898-E902 PolarHBondContact O-N 2.86Å; E902-T906 WeakPolarHBondContact O-CB 3.47Å; E902-T906 PolarHBondContact O-N 3.01Å; E902-T906 PolarHBondContact O-OG1 3.05Å
903	V	61.9	Low	60	Low	98 Å²	98	68.6 Å²	68.6	59%	0.594	41%	0.41	S	S	*	.	H	α-helix	trans	-66.3	-36.6	174.9	170.7	0	0	0	0	112.3	N899 V901 S907	N899-V903 WeakPolarHBondContact O-CG2 3.5Å; N899-V903 PolarHBondContact O-N 2.86Å; V901-V903 VanDerWaalsContact C-N 3.29Å; V901-V903 PolarHBondContact O-N 2.93Å; V903-S907 WeakPolarHBondContact O-CB 3.46Å; V903-S907 PolarHBondContact O-N 2.92Å; V903-S907 PolarHBondContact O-OG 3.3Å
904	A	53	Low	57.3	Low	46 Å²	46	70.1 Å²	70.1	38%	0.38	42%	0.422	S	S	.	.	H	α-helix	trans	-69.6	-48.4	176.4	0	0	0	0	0	111.6	S900 V901 T906 S907 Q908	S900-A904 PolarHBondContact O-N 3.47Å; V901-A904 WeakPolarHBondContact O-CB 3.3Å; V901-A904 PolarHBondContact O-N 2.87Å; A904-T906 VanDerWaalsContact C-N 3.34Å; A904-T906 PolarHBondContact O-N 3.31Å; A904-S907 WeakPolarHBondContact O-CA 3.42Å; A904-S907 WeakPolarHBondContact O-CB 3.31Å; A904-S907 PolarHBondContact O-N 3.2Å; A904-Q908 PolarHBondContact O-N 3.28Å
905	E	50.2	Low	54.8	Low	67 Å²	67	76 Å²	76	31%	0.313	45%	0.453	S	S	.	.	H	α-helix	trans	-62.4	-40.1	179.8	-69.1	-179	166.6	0	0	111.7	V901 S907 Q908 S909 V922	V901-E905 HydrophobicContact CG1-CG 4.12Å; V901-E905 PolarHBondContact O-N 3.1Å; E905-S907 VanDerWaalsContact C-N 3.29Å; E905-S907 PolarHBondContact O-N 2.98Å; E905-Q908 WeakPolarHBondContact O-CB 3.5Å; E905-Q908 PolarHBondContact O-N 3.12Å; E905-S909 PolarHBondContact O-N 3.41Å; E905-S909 PolarHBondContact O-OG 2.93Å; E905-V922 WeakPolarHBondContact OE2-CG1 3.17Å
906	T	46.4	Very low	52.1	Low	95 Å²	95	84.2 Å²	84.2	58%	0.583	49%	0.492	S	S	*	.	H	α-helix	trans	-61.1	-37.3	172.9	-54.1	0	0	0	0	112	E902 A904 S909	E902-T906 WeakPolarHBondContact O-CB 3.47Å; E902-T906 PolarHBondContact O-N 3.01Å; E902-T906 PolarHBondContact O-OG1 3.05Å; A904-T906 VanDerWaalsContact C-N 3.34Å; A904-T906 PolarHBondContact O-N 3.31Å; T906-S909 PolarHBondContact O-OG 2.89Å
907	S	42.3	Very low	49.5	Very low	59 Å²	59	84.6 Å²	84.6	41%	0.413	50%	0.501	S	S	.	.	H	α-helix	trans	-71.9	-34.1	176.5	-56.9	0	0	0	0	112.4	V903 A904 E905	V903-S907 WeakPolarHBondContact O-CB 3.46Å; V903-S907 PolarHBondContact O-N 2.92Å; V903-S907 PolarHBondContact O-OG 3.3Å; A904-S907 WeakPolarHBondContact O-CA 3.42Å; A904-S907 WeakPolarHBondContact O-CB 3.31Å; A904-S907 PolarHBondContact O-N 3.2Å; E905-S907 VanDerWaalsContact C-N 3.29Å; E905-S907 PolarHBondContact O-N 2.98Å
908	Q	39.7	Very low	47	Very low	107 Å²	107	90.5 Å²	90.5	50%	0.5	53%	0.532	S	S	.	.	H	α-helix	trans	-68.3	-45.9	177.4	-133.9	76.8	23.2	0	0	111.5	A904 E905 A910 I911 E912	A904-Q908 PolarHBondContact O-N 3.28Å; E905-Q908 WeakPolarHBondContact O-CB 3.5Å; E905-Q908 PolarHBondContact O-N 3.12Å; Q908-A910 PolarHBondContact O-N 2.93Å; Q908-I911 PolarHBondContact O-N 2.73Å; Q908-E912 PolarHBondContact O-N 3.08Å; Q908-E912 VanDerWaalsContact O-N 3.12Å
909	S	40	Very low	44.7	Very low	94 Å²	94	96.4 Å²	96.4	66%	0.657	57%	0.567	S	S	*	*	H	α-helix	trans	-64	-21.2	-178.5	60.7	0	0	0	0	114.4	E905 T906 I911	E905-S909 PolarHBondContact O-N 3.41Å; E905-S909 PolarHBondContact O-OG 2.93Å; T906-S909 PolarHBondContact O-OG 2.89Å; S909-I911 VanDerWaalsContact C-N 3.27Å; S909-I911 PolarHBondContact O-N 3.33Å
910	A	37.3	Very low	42.1	Very low	88 Å²	88	98.1 Å²	98.1	73%	0.727	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-7.1	174.9	0	0	0	0	0	113.7	Q908	Q908-A910 PolarHBondContact O-N 2.93Å
911	I	39.8	Very low	39.8	Very low	138 Å²	138	104.2 Å²	104.2	71%	0.708	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	-43	-171.6	-59.7	175.2	0	0	0	111.7	Q908 S909 G913	Q908-I911 PolarHBondContact O-N 2.73Å; S909-I911 VanDerWaalsContact C-N 3.27Å; S909-I911 PolarHBondContact O-N 3.33Å; I911-G913 VanDerWaalsContact C-N 3.26Å; I911-G913 PolarHBondContact O-N 2.97Å; I911-G913 VanDerWaalsContact O-N 3.09Å
912	E	30	Very low	38	Very low	144 Å²	144	107.2 Å²	107.2	67%	0.673	62%	0.618	S	S	*	*			trans	-90.8	48.2	-172.8	-67.7	-175.6	148.7	0	0	113.8	Q908 L914	Q908-E912 PolarHBondContact O-N 3.08Å; Q908-E912 VanDerWaalsContact O-N 3.12Å; E912-L914 PolarHBondContact O-N 2.88Å
913	G	31.6	Very low	36.2	Very low	74 Å²	74	106.5 Å²	106.5	76%	0.763	62%	0.615	S	S	*	*			trans	-74.8	47.3	167.6	0	0	0	0	0	113.8	I911	I911-G913 VanDerWaalsContact C-N 3.26Å; I911-G913 PolarHBondContact O-N 2.97Å; I911-G913 VanDerWaalsContact O-N 3.09Å
914	L	29.3	Very low	34.5	Very low	142 Å²	142	104.6 Å²	104.6	74%	0.743	61%	0.61	S	S	*	*	S	Bend	trans	-171.6	132.9	169.7	-106.6	163.4	0	0	0	112.5	E912	E912-L914 PolarHBondContact O-N 2.88Å
915	N	29.8	Very low	33.5	Very low	133 Å²	133	106.9 Å²	106.9	71%	0.711	62%	0.621	S	S	*	*			trans	82.4	88.2	164.6	-52.1	-43.1	0	0	0	120.7
916	H	28.5	Very low	32.7	Very low	177 Å²	177	107 Å²	107	82%	0.819	63%	0.626	S	S	*	*			trans	57.4	127.1	135.2	-81	-77.7	0	0	0	123.9
917	S	28.7	Very low	32.1	Very low	96 Å²	96	105.7 Å²	105.7	67%	0.671	62%	0.618	S	S	*	*	S	Bend	trans	70.7	140.9	152.3	41.4	0	0	0	0	119.7
918	D	25.8	Very low	31.7	Very low	164 Å²	164	104.9 Å²	104.9	88%	0.877	61%	0.612	S	S	*	*			trans	61.7	40.9	166.4	-58.9	-7	0	0	0	118.4	P920	D918-P920 WeakPolarHBondContact O-CD 3.41Å
919	V	29.9	Very low	31.2	Very low	126 Å²	126	100.4 Å²	100.4	76%	0.764	59%	0.593	S	S	*	*			trans	-80.6	117.8	162.9	-176.1	0	0	0	0	110.1
920	P	28.1	Very low	30.8	Very low	78 Å²	78	99.6 Å²	99.6	51%	0.506	58%	0.581	S	S	.	*			trans	-79.3	139.7	180	31.8	-34	0	0	0	112.1	D918 V922	D918-P920 WeakPolarHBondContact O-CD 3.41Å; P920-V922 PolarHBondContact O-N 3.15Å
921	F	26.1	Very low	30.6	Very low	193 Å²	193	101.2 Å²	101.2	85%	0.846	58%	0.577	S	S	*	*			trans	-38.7	101.7	-178	-158.1	-84.8	0	0	0	115
922	V	32.2	Very low	30.2	Very low	72 Å²	72	101.1 Å²	101.1	44%	0.436	58%	0.575	S	S	.	*			trans	-80.2	137.6	-178	169	0	0	0	0	111.6	E905 P920 A924	E905-V922 WeakPolarHBondContact OE2-CG1 3.17Å; P920-V922 PolarHBondContact O-N 3.15Å; V922-A924 PolarHBondContact O-N 3.34Å
923	L	30.5	Very low	30.3	Very low	45 Å²	45	98.8 Å²	98.8	24%	0.236	56%	0.564	C	S	.	*			trans	-84.2	85.5	166.5	-84.6	179.8	0	0	0	110.1	K847 W855	K847-L923 HydrophobicContact CD-CD1 4.17Å; W855-L923 HydrophobicContact CH2-CD1 3.89Å; W855-L923 HydrophobicContact CZ3-CD1 4.09Å
924	A	26.2	Very low	30.3	Very low	59 Å²	59	99.7 Å²	99.7	49%	0.488	55%	0.552	S	S	.	*			trans	-67.3	153.7	149.1	0	0	0	0	0	108.8	V922 V926	V922-A924 PolarHBondContact O-N 3.34Å; A924-V926 PolarHBondContact O-N 2.94Å
925	P	32.3	Very low	30.5	Very low	93 Å²	93	99.5 Å²	99.5	60%	0.604	55%	0.545	S	S	*	.			trans	-61.7	104.1	169.3	25.6	-33.4	0	0	0	109.2	T927	P925-T927 VanDerWaalsContact C-N 3.29Å; P925-T927 PolarHBondContact O-N 3.46Å
926	V	33.1	Very low	30.4	Very low	71 Å²	71	98.7 Å²	98.7	43%	0.43	54%	0.54	S	S	.	.			trans	-71.2	87.3	-179.7	177.6	0	0	0	0	109.3	A924 N930 L931	A924-V926 PolarHBondContact O-N 2.94Å; V926-N930 HydrophobicContact CG1-CB 4.15Å; V926-L931 HydrophobicContact CG1-CB 4.32Å
927	T	33.8	Very low	30.6	Very low	66 Å²	66	95.8 Å²	95.8	41%	0.405	53%	0.53	S	S	.	.			trans	-55.2	152.7	154.9	57.6	0	0	0	0	109.1	P925 S929	P925-T927 VanDerWaalsContact C-N 3.29Å; P925-T927 PolarHBondContact O-N 3.46Å; T927-S929 PolarHBondContact O-N 2.98Å
928	S	32.3	Very low	30.6	Very low	42 Å²	42	96.1 Å²	96.1	29%	0.294	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-0.7	-155.5	-48.6	0	0	0	0	117.7
929	S	30.6	Very low	30.8	Very low	13 Å²	13	94.9 Å²	94.9	9%	0.091	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-49.6	-179.8	-60.1	0	0	0	0	113.6	P499 T927 L931 M932	P499-S929 WeakPolarHBondContact CD-OG 3.43Å; P499-S929 WeakPolarHBondContact CG-OG 3.25Å; P499-S929 PolarHBondContact O-OG 3.28Å; T927-S929 PolarHBondContact O-N 2.98Å; S929-L931 PolarHBondContact O-N 3.28Å; S929-M932 PolarHBondContact O-N 2.87Å
930	N	31.7	Very low	30.7	Very low	78 Å²	78	94.1 Å²	94.1	42%	0.417	51%	0.513	S	S	.	.	H	α-helix	trans	-75.7	-27	-160.3	-63.6	-13.6	0	0	0	114.5	V926 M932 N934	V926-N930 HydrophobicContact CG1-CB 4.15Å; N930-M932 VanDerWaalsContact C-N 3.26Å; N930-M932 PolarHBondContact O-N 3.5Å; N930-N934 PolarHBondContact O-N 2.89Å
931	L	33.4	Very low	30.6	Very low	121 Å²	121	98.1 Å²	98.1	63%	0.634	52%	0.524	S	S	*	.	H	α-helix	trans	-69.1	-24.4	-178	-165.6	72.1	0	0	0	112.7	V926 S929	V926-L931 HydrophobicContact CG1-CB 4.32Å; S929-L931 PolarHBondContact O-N 3.28Å
932	M	31.2	Very low	30.5	Very low	136 Å²	136	97 Å²	97	67%	0.67	52%	0.519	S	S	*	.	H	α-helix	trans	-91.9	-33.9	-178.3	-151	165.9	-171.2	0	0	112.6	S929 N930 L936	S929-M932 PolarHBondContact O-N 2.87Å; N930-M932 VanDerWaalsContact C-N 3.26Å; N930-M932 PolarHBondContact O-N 3.5Å; M932-L936 PolarHBondContact O-N 3.13Å
933	Q	31	Very low	30.1	Very low	95 Å²	95	99 Å²	99	44%	0.444	54%	0.536	S	S	.	.	H	α-helix	trans	-70.6	-43.6	176.2	-69.7	-177.6	-9.4	0	0	112.3	K935 L936 L937	Q933-K935 PolarHBondContact O-N 3.15Å; Q933-L936 PolarHBondContact O-N 3.22Å; Q933-L937 PolarHBondContact O-N 3.44Å; Q933-L937 VanDerWaalsContact O-N 3.09Å
934	N	32	Very low	29.9	Very low	93 Å²	93	102.7 Å²	102.7	50%	0.497	56%	0.563	S	S	.	*	H	α-helix	trans	-63.1	-27.5	179.7	-72.1	-10.6	0	0	0	112.9	N930 D938	N930-N934 PolarHBondContact O-N 2.89Å; N934-D938 PolarHBondContact O-N 3.36Å
935	K	33.5	Very low	30	Very low	138 Å²	138	105.7 Å²	105.7	60%	0.6	58%	0.58	S	S	*	*	H	α-helix	trans	-82.7	-9.1	172.2	-91.7	-170.7	173.5	-176.7	0	114.9	Q933 L939	Q933-K935 PolarHBondContact O-N 3.15Å; K935-L939 WeakPolarHBondContact O-CD1 3.31Å
936	L	28.5	Very low	29.6	Very low	117 Å²	117	111.4 Å²	111.4	61%	0.613	59%	0.592	S	S	*	*	H	α-helix	trans	-90.1	-42.5	170.5	-113.3	85.7	0	0	0	111.8	M932 Q933 D938 L939 T940	M932-L936 PolarHBondContact O-N 3.13Å; Q933-L936 PolarHBondContact O-N 3.22Å; L936-D938 PolarHBondContact O-N 2.94Å; L936-L939 PolarHBondContact O-N 2.83Å; L936-L939 VanDerWaalsContact O-N 3.14Å; L936-T940 PolarHBondContact O-N 2.94Å
937	L	31.7	Very low	29.2	Very low	115 Å²	115	113.7 Å²	113.7	60%	0.602	60%	0.601	S	S	*	*	H	α-helix	trans	-64.8	-39.5	179.3	-90.8	70.1	0	0	0	112.5	Q933 L939 T940 E941	Q933-L937 PolarHBondContact O-N 3.44Å; Q933-L937 VanDerWaalsContact O-N 3.09Å; L937-L939 PolarHBondContact O-N 2.98Å; L937-T940 PolarHBondContact O-N 3.14Å; L937-T940 PolarHBondContact O-OG1 3.09Å; L937-E941 PolarHBondContact O-N 3.01Å
938	D	30	Very low	28.8	Very low	104 Å²	104	118.6 Å²	118.6	56%	0.556	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-7.2	176.4	-121.4	-28.3	0	0	0	113.6	N934 L936 K942	N934-D938 PolarHBondContact O-N 3.36Å; L936-D938 PolarHBondContact O-N 2.94Å; D938-K942 IonicContact OD1-NZ 2.68Å; D938-K942 PolarHBondContact OD1-NZ 3.36Å
939	L	28.5	Very low	28.4	Very low	137 Å²	137	123.3 Å²	123.3	72%	0.717	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-3.3	174.1	-68.9	176.2	0	0	0	113.7	K935 L936 L937	K935-L939 WeakPolarHBondContact O-CD1 3.31Å; L936-L939 PolarHBondContact O-N 2.83Å; L936-L939 VanDerWaalsContact O-N 3.14Å; L937-L939 PolarHBondContact O-N 2.98Å
940	T	27.6	Very low	28.3	Very low	111 Å²	111	129.2 Å²	129.2	68%	0.681	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	-14.9	175.4	48.6	0	0	0	0	114.2	L936 L937	L936-T940 PolarHBondContact O-N 2.94Å; L937-T940 PolarHBondContact O-N 3.14Å; L937-T940 PolarHBondContact O-OG1 3.09Å
941	E	26.3	Very low	28.1	Very low	161 Å²	161	130.6 Å²	130.6	75%	0.752	68%	0.68	S	S	*	*	S	Bend	trans	-121.6	69.3	-179.8	-66	-167	158.4	0	0	113.3	L937	L937-E941 PolarHBondContact O-N 3.01Å
942	K	25.1	Very low	27.8	Very low	170 Å²	170	130.6 Å²	130.6	74%	0.739	68%	0.681	S	S	*	*			trans	-156.5	80.8	161.7	-98.5	127.6	-162.8	166.4	0	112.9	D938	D938-K942 IonicContact OD1-NZ 2.68Å; D938-K942 PolarHBondContact OD1-NZ 3.36Å
943	S	23.4	Very low	27.7	Very low	114 Å²	114	129.8 Å²	129.8	80%	0.797	68%	0.679	S	S	*	*			trans	-119.4	144.7	151.4	52.5	0	0	0	0	109.1
944	P	26.8	Very low	27.6	Very low	122 Å²	122	130.9 Å²	130.9	79%	0.792	69%	0.688	S	S	*	*			trans	-112.8	146	-145	38.1	-30	0	0	0	115.5
945	S	27.5	Very low	27.5	Very low	122 Å²	122	132.6 Å²	132.6	85%	0.853	70%	0.697	S	S	*	*			trans	-147.6	100.2	165.6	39.7	0	0	0	0	112.3
946	Y	24	Very low	27.3	Very low	214 Å²	214	132 Å²	132	84%	0.839	70%	0.7	S	S	*	*			trans	-71.7	169.6	147.5	-62.3	-88.4	0	0	0	108.3
947	L	24.7	Very low	27.3	Very low	119 Å²	119	133.1 Å²	133.1	62%	0.623	70%	0.701	S	S	*	*			cis	-166.8	163.7	17.7	-158.2	52.4	0	0	0	109.9
948	F	24.8	Very low	26.9	Very low	169 Å²	169	135.3 Å²	135.3	74%	0.741	71%	0.708	S	S	*	*			trans	65.6	150.5	157.7	-69.9	-40	0	0	0	120
949	D	25.1	Very low	26.8	Very low	140 Å²	140	139.8 Å²	139.8	75%	0.749	73%	0.726	S	S	*	*			cis	-119.3	-166	-6	-80.4	-54.9	0	0	0	109
950	D	26.8	Very low	26.6	Very low	137 Å²	137	142.5 Å²	142.5	73%	0.733	73%	0.728	S	S	*	*			cis	-160.1	175.8	12.1	-159.5	8.4	0	0	0	111.7
951	V	28.1	Very low	26.7	Very low	107 Å²	107	143.6 Å²	143.6	65%	0.648	73%	0.73	S	S	*	*			trans	30	130	143.2	156.8	0	0	0	0	119.9
952	D	28.1	Very low	26.7	Very low	121 Å²	121	143 Å²	143	65%	0.647	73%	0.725	S	S	*	*			cis	-167.5	152.9	3.8	-125.8	-3.5	0	0	0	111.7
953	N	28.7	Very low	26.8	Very low	120 Å²	120	142.9 Å²	142.9	64%	0.642	73%	0.732	S	S	*	*			trans	57.9	149.3	151.1	-64.2	-43.8	0	0	0	120.3
954	D	28.7	Very low	26.9	Very low	118 Å²	118	143.6 Å²	143.6	63%	0.631	73%	0.727	S	S	*	*			cis	-161.6	141.4	4	-131	-21.6	0	0	0	111.3
955	N	28.9	Very low	26.8	Very low	129 Å²	129	145.4 Å²	145.4	69%	0.69	72%	0.724	S	S	*	*			trans	60.9	145.4	145.6	-72.6	-40	0	0	0	121.1
956	I	29.2	Very low	26.7	Very low	126 Å²	126	148.3 Å²	148.3	65%	0.646	73%	0.725	S	S	*	*			cis	-164.4	159.8	6	-136.5	159.6	0	0	0	113
957	H	28.6	Very low	26.7	Very low	139 Å²	139	147.7 Å²	147.7	64%	0.644	72%	0.722	S	S	*	*			trans	58.1	115.3	167.7	-69.6	-57.9	0	0	0	118.5
958	E	24.7	Very low	26.6	Very low	162 Å²	162	149.2 Å²	149.2	76%	0.757	73%	0.73	S	S	*	*				70.9	128.6	81.2	-70.5	178.4	160.9	0	0	113.3
959	E	27.8	Very low	26.6	Very low	197 Å²	197	145 Å²	145	92%	0.921	73%	0.727	S	S	*	*				-142.3	167.4	59	-171.8	166.6	-152.7	0	0	114.8
960	Y	24.2	Very low	26.6	Very low	194 Å²	194	149.3 Å²	149.3	76%	0.761	73%	0.734	S	S	*	*			trans	-93	149.6	-177.8	-87.1	-109.7	0	0	0	113.4
961	D	28.5	Very low	26.7	Very low	135 Å²	135	151.4 Å²	151.4	72%	0.722	74%	0.739	S	S	*	*				-162	174.4	101.1	-140.4	-16.2	0	0	0	114
962	K	26	Very low	26.8	Very low	148 Å²	148	151.1 Å²	151.1	64%	0.643	74%	0.74	S	S	*	*			trans	-94.2	149.8	-160.3	-53.9	155.3	-157.1	76.2	0	113.5
963	N	29.1	Very low	26.7	Very low	167 Å²	167	151.9 Å²	151.9	89%	0.893	75%	0.749	S	S	*	*				-161	161.8	115.4	-97.5	-33.6	0	0	0	111.3
964	N	25.1	Very low	26.6	Very low	130 Å²	130	153.3 Å²	153.3	70%	0.695	75%	0.754	S	S	*	*			trans	-126.5	156.5	-154.5	-114.4	29	0	0	0	114.3
965	H	23.6	Very low	26.7	Very low	159 Å²	159	149.4 Å²	149.4	74%	0.736	74%	0.736	S	S	*	*			trans	79.3	150.9	151.3	-70.4	-54.3	0	0	0	123.1
966	E	26.7	Very low	26.7	Very low	184 Å²	184	146.4 Å²	146.4	86%	0.86	73%	0.73	S	S	*	*			trans	86.7	89.1	153.9	-130.8	145.2	-124.3	0	0	117.6
967	Y	24.1	Very low	26.7	Very low	200 Å²	200	143.9 Å²	143.9	78%	0.784	72%	0.723	S	S	*	*				84.8	113.2	63.7	-101.3	-104.9	0	0	0	116.7
968	L	22.8	Very low	26.8	Very low	151 Å²	151	142 Å²	142	79%	0.791	72%	0.721	S	S	*	*			trans	57.3	147.6	148.7	-74.3	-179.8	0	0	0	122.8
969	A	23.5	Very low	27.1	Very low	82 Å²	82	138.8 Å²	138.8	68%	0.678	71%	0.709	S	S	*	*			trans	58.9	110.6	154.8	0	0	0	0	0	118.8
970	Y	25.3	Very low	27.4	Very low	230 Å²	230	132.3 Å²	132.3	90%	0.902	68%	0.683	S	S	*	*				-162.8	117	119.6	-101.2	-64.9	0	0	0	110.8
971	H	28.1	Very low	27.7	Very low	180 Å²	180	127.9 Å²	127.9	83%	0.833	67%	0.672	S	S	*	*			trans	-105.2	125.3	171.3	-134.4	-69.9	0	0	0	108.1
972	P	30.7	Very low	27.8	Very low	102 Å²	102	128.4 Å²	128.4	66%	0.662	68%	0.675	S	S	*	*			trans	-127.9	119.3	170.2	30.9	-14.3	0	0	0	114.3
973	V	25.8	Very low	28.1	Very low	137 Å²	137	124.9 Å²	124.9	83%	0.83	66%	0.66	S	S	*	*			trans	44.2	105.7	134.7	-169.6	0	0	0	0	118.1
974	I	26.3	Very low	28.3	Very low	149 Å²	149	124.4 Å²	124.4	76%	0.764	65%	0.646	S	S	*	*			trans	-77.6	138	156.2	-63.5	174.3	0	0	0	108.6
975	S	31.1	Very low	28.6	Very low	36 Å²	36	126 Å²	126	25%	0.252	65%	0.649	S	S	.	*			trans	-72.6	133.2	179	-175.7	0	0	0	0	112.4	Y611 S977 T978	Y611-S975 PolarHBondContact OH-OG 2.93Å; S975-S977 PolarHBondContact O-N 3.45Å; S975-S977 VanDerWaalsContact O-N 3.16Å; S975-T978 PolarHBondContact O-N 3.38Å
976	A	28.8	Very low	29.1	Very low	67 Å²	67	121.1 Å²	121.1	55%	0.554	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-59.5	-27.7	-174.7	0	0	0	0	0	114.1	T978 L979 V980	A976-T978 PolarHBondContact O-N 3.43Å; A976-L979 PolarHBondContact O-N 3.25Å; A976-V980 WeakPolarHBondContact O-CG2 3.49Å; A976-V980 PolarHBondContact O-N 3.07Å
977	S	29.4	Very low	29.7	Very low	73 Å²	73	116.2 Å²	116.2	51%	0.51	61%	0.612	S	S	.	*	G	3₁₀ helix	trans	-59.3	-23	-175.6	60.3	0	0	0	0	114.8	S975	S975-S977 PolarHBondContact O-N 3.45Å; S975-S977 VanDerWaalsContact O-N 3.16Å
978	T	32.1	Very low	30	Very low	98 Å²	98	112.4 Å²	112.4	60%	0.601	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-91.3	-19.9	178.9	-49.3	0	0	0	0	112.2	S975 A976	S975-T978 PolarHBondContact O-N 3.38Å; A976-T978 PolarHBondContact O-N 3.43Å
979	L	29.8	Very low	30.6	Very low	95 Å²	95	110.3 Å²	110.3	50%	0.497	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.3	-38.4	179.6	-142.2	66.9	0	0	0	111.1	A976 N981 L982 Q983	A976-L979 PolarHBondContact O-N 3.25Å; L979-N981 PolarHBondContact O-N 3Å; L979-L982 PolarHBondContact O-N 3.41Å; L979-Q983 HydrophobicContact CG-CG 4.14Å; L979-Q983 VanDerWaalsContact O-CB 3.3Å; L979-Q983 WeakPolarHBondContact O-CB 3.32Å; L979-Q983 PolarHBondContact O-N 2.63Å
980	V	34.2	Very low	31.2	Very low	61 Å²	61	111.4 Å²	111.4	37%	0.37	59%	0.585	S	S	.	*	H	α-helix	trans	-52.9	-40	-172.6	168.9	0	0	0	0	114.5	A976 Q983 R984	A976-V980 WeakPolarHBondContact O-CG2 3.49Å; A976-V980 PolarHBondContact O-N 3.07Å; V980-Q983 PolarHBondContact O-N 3.36Å; V980-R984 HydrophobicContact CG1-CG 4.39Å; V980-R984 WeakPolarHBondContact O-CB 3.4Å; V980-R984 WeakPolarHBondContact O-CG 3.38Å; V980-R984 PolarHBondContact O-N 3.24Å
981	N	31.2	Very low	31.7	Very low	101 Å²	101	105.9 Å²	105.9	54%	0.54	57%	0.566	S	S	.	*	H	α-helix	trans	-79.1	-29.9	-173.6	-75.4	12.8	0	0	0	114	L979	L979-N981 PolarHBondContact O-N 3Å
982	L	30.1	Very low	32	Very low	147 Å²	147	101.2 Å²	101.2	77%	0.77	55%	0.545	S	S	*	.	H	α-helix	trans	-78.4	-39.1	167.2	-97.4	71.3	0	0	0	110.9	L979 R984 Q985 S986	L979-L982 PolarHBondContact O-N 3.41Å; L982-R984 VanDerWaalsContact C-N 3.32Å; L982-R984 PolarHBondContact O-N 2.99Å; L982-Q985 PolarHBondContact O-N 3.34Å; L982-S986 PolarHBondContact O-N 3.4Å
983	Q	32.9	Very low	32.2	Very low	73 Å²	73	101 Å²	101	34%	0.341	54%	0.538	S	S	.	.	H	α-helix	trans	-66.1	-27.2	177.2	-83.9	-174.4	-45.7	0	0	113.5	L979 V980 Q985 S986 I987	L979-Q983 HydrophobicContact CG-CG 4.14Å; L979-Q983 VanDerWaalsContact O-CB 3.3Å; L979-Q983 WeakPolarHBondContact O-CB 3.32Å; L979-Q983 PolarHBondContact O-N 2.63Å; V980-Q983 PolarHBondContact O-N 3.36Å; Q983-Q985 VanDerWaalsContact C-N 3.27Å; Q983-Q985 PolarHBondContact O-N 2.68Å; Q983-S986 PolarHBondContact O-N 3.13Å; Q983-I987 HydrophobicContact CB-CD1 3.75Å; Q983-I987 HydrophobicContact CB-CG1 3.98Å; Q983-I987 HydrophobicContact CG-CD1 4.07Å; Q983-I987 HydrophobicContact CG-CG1 4.27Å; Q983-I987 WeakPolarHBondContact O-CA 3.43Å; Q983-I987 WeakPolarHBondContact O-CB 3.34Å; Q983-I987 VanDerWaalsContact O-CG1 3.26Å; Q983-I987 WeakPolarHBondContact O-CG1 3.1Å; Q983-I987 PolarHBondContact O-N 3.41Å
984	R	31.9	Very low	32.8	Very low	157 Å²	157	98.7 Å²	98.7	59%	0.592	53%	0.529	S	S	*	.	H	α-helix	trans	-60.2	-36.7	179.4	-97.1	-176.3	170.2	-178.7	0.3	112.5	V980 L982 L988	V980-R984 HydrophobicContact CG1-CG 4.39Å; V980-R984 WeakPolarHBondContact O-CB 3.4Å; V980-R984 WeakPolarHBondContact O-CG 3.38Å; V980-R984 PolarHBondContact O-N 3.24Å; L982-R984 VanDerWaalsContact C-N 3.32Å; L982-R984 PolarHBondContact O-N 2.99Å; R984-L988 WeakPolarHBondContact O-CB 3.32Å; R984-L988 WeakPolarHBondContact O-CD1 3.49Å; R984-L988 WeakPolarHBondContact O-CG 3.33Å; R984-L988 PolarHBondContact O-N 2.84Å
985	Q	31.5	Very low	33.1	Very low	165 Å²	165	97.3 Å²	97.3	77%	0.771	51%	0.514	S	S	*	.	H	α-helix	trans	-81.2	-45.9	172.9	-73.1	-176.2	-14.6	0	0	112.3	L982 Q983 I987 L988 Q989	L982-Q985 PolarHBondContact O-N 3.34Å; Q983-Q985 VanDerWaalsContact C-N 3.27Å; Q983-Q985 PolarHBondContact O-N 2.68Å; Q985-I987 PolarHBondContact O-N 3.27Å; Q985-L988 PolarHBondContact O-N 3.13Å; Q985-Q989 PolarHBondContact O-N 3.4Å
986	S	34.5	Very low	33.1	Very low	56 Å²	56	101.7 Å²	101.7	39%	0.392	53%	0.534	S	S	.	.	H	α-helix	trans	-71.4	-29	-176.8	83	0	0	0	0	113.7	L982 Q983 N990	L982-S986 PolarHBondContact O-N 3.4Å; Q983-S986 PolarHBondContact O-N 3.13Å; S986-N990 WeakPolarHBondContact O-CB 3.44Å; S986-N990 PolarHBondContact O-N 3.13Å; S986-N990 PolarHBondContact O-OD1 3.13Å
987	I	38.7	Very low	33.1	Very low	80 Å²	80	105.8 Å²	105.8	41%	0.41	55%	0.547	S	S	.	.	H	α-helix	trans	-75.3	-43.2	171.5	-63.8	-180	0	0	0	109.5	Q983 Q985 Q989 N990 F991	Q983-I987 HydrophobicContact CB-CD1 3.75Å; Q983-I987 HydrophobicContact CB-CG1 3.98Å; Q983-I987 HydrophobicContact CG-CD1 4.07Å; Q983-I987 HydrophobicContact CG-CG1 4.27Å; Q983-I987 WeakPolarHBondContact O-CA 3.43Å; Q983-I987 WeakPolarHBondContact O-CB 3.34Å; Q983-I987 VanDerWaalsContact O-CG1 3.26Å; Q983-I987 WeakPolarHBondContact O-CG1 3.1Å; Q983-I987 PolarHBondContact O-N 3.41Å; Q985-I987 PolarHBondContact O-N 3.27Å; I987-Q989 PolarHBondContact O-N 2.77Å; I987-N990 PolarHBondContact O-N 2.88Å; I987-F991 HydrophobicContact CG2-CB 4.1Å; I987-F991 WeakPolarHBondContact O-CA 3.48Å; I987-F991 WeakPolarHBondContact O-CB 3.48Å; I987-F991 PolarHBondContact O-N 3.26Å
988	L	32.3	Very low	33.1	Very low	120 Å²	120	105.9 Å²	105.9	63%	0.628	55%	0.546	S	S	*	.	H	α-helix	trans	-58.7	-37.2	176.2	-85.3	171.1	0	0	0	112.2	R984 Q985 M992	R984-L988 WeakPolarHBondContact O-CB 3.32Å; R984-L988 WeakPolarHBondContact O-CD1 3.49Å; R984-L988 WeakPolarHBondContact O-CG 3.33Å; R984-L988 PolarHBondContact O-N 2.84Å; Q985-L988 PolarHBondContact O-N 3.13Å; L988-M992 WeakPolarHBondContact O-CB 3.43Å; L988-M992 WeakPolarHBondContact O-CG 3.27Å; L988-M992 PolarHBondContact O-N 3.42Å
989	Q	33.7	Very low	32.9	Very low	108 Å²	108	107.5 Å²	107.5	51%	0.505	55%	0.551	S	S	.	*	H	α-helix	trans	-71.4	-59.4	173.1	-168.8	56.8	53.7	0	0	112	Q985 I987 F991 M992 D993	Q985-Q989 PolarHBondContact O-N 3.4Å; I987-Q989 PolarHBondContact O-N 2.77Å; Q989-F991 PolarHBondContact O-N 3.06Å; Q989-M992 WeakPolarHBondContact O-CB 3.49Å; Q989-M992 PolarHBondContact O-N 3.33Å; Q989-D993 WeakPolarHBondContact CG-OD2 3.4Å; Q989-D993 VanDerWaalsContact NE2-CG 3.29Å; Q989-D993 PolarHBondContact NE2-OD1 3.45Å; Q989-D993 PolarHBondContact NE2-OD2 3.24Å; Q989-D993 PolarHBondContact O-N 2.95Å
990	N	36.8	Very low	32.8	Very low	104 Å²	104	112.6 Å²	112.6	56%	0.556	57%	0.572	S	S	*	*	H	α-helix	trans	-65.5	-24.1	-175.7	-63.9	7.3	0	0	0	113.7	S986 I987 S994	S986-N990 WeakPolarHBondContact O-CB 3.44Å; S986-N990 PolarHBondContact O-N 3.13Å; S986-N990 PolarHBondContact O-OD1 3.13Å; I987-N990 PolarHBondContact O-N 2.88Å; N990-S994 WeakPolarHBondContact O-CB 3.45Å; N990-S994 PolarHBondContact O-N 3.39Å
991	F	35.2	Very low	32.4	Very low	114 Å²	114	118 Å²	118	50%	0.5	59%	0.593	S	S	.	*	H	α-helix	trans	-79.6	-34	175.3	-167.1	-87.8	0	0	0	110.9	I987 Q989 W995	I987-F991 HydrophobicContact CG2-CB 4.1Å; I987-F991 WeakPolarHBondContact O-CA 3.48Å; I987-F991 WeakPolarHBondContact O-CB 3.48Å; I987-F991 PolarHBondContact O-N 3.26Å; Q989-F991 PolarHBondContact O-N 3.06Å; F991-W995 AromaticContact CD1-CD1 3.71Å; F991-W995 HydrophobicContact CD1-CG 4.19Å; F991-W995 AromaticContact CD1-NE1 3.91Å; F991-W995 AromaticContact CD2-NE1 3.97Å; F991-W995 AromaticContact CE1-CD1 3.65Å; F991-W995 HydrophobicContact CE1-CD2 4.03Å; F991-W995 AromaticContact CE1-CE2 3.68Å; F991-W995 HydrophobicContact CE1-CG 4.03Å; F991-W995 HydrophobicContact CE1-CZ2 4.29Å; F991-W995 AromaticContact CE1-NE1 3.41Å; F991-W995 AromaticContact CE2-NE1 3.48Å; F991-W995 AromaticContact CG-CD1 3.98Å; F991-W995 AromaticContact CZ-CD1 3.87Å; F991-W995 HydrophobicContact CZ-CD2 4.35Å; F991-W995 AromaticContact CZ-CE2 3.53Å; F991-W995 AromaticContact CZ-CZ2 3.87Å; F991-W995 HydrophobicContact CZ-CZ2 3.87Å; F991-W995 AromaticContact CZ-NE1 3.18Å; F991-W995 VanDerWaalsContact O-CB 3.23Å; F991-W995 WeakPolarHBondContact O-CB 3.25Å; F991-W995 PolarHBondContact O-N 3.46Å
992	M	35.2	Very low	32.2	Very low	83 Å²	83	119 Å²	119	41%	0.409	61%	0.608	S	S	.	*	H	α-helix	trans	-64	-50	166.7	-76.5	-69.9	-154.5	0	0	110.7	Y74 L988 Q989 S994 W995 L996	Y74-M992 HydrophobicContact CE1-CE 4.33Å; Y74-M992 VanDerWaalsContact OH-CE 3.25Å; Y74-M992 WeakPolarHBondContact OH-CE 3.4Å; L988-M992 WeakPolarHBondContact O-CB 3.43Å; L988-M992 WeakPolarHBondContact O-CG 3.27Å; L988-M992 PolarHBondContact O-N 3.42Å; Q989-M992 WeakPolarHBondContact O-CB 3.49Å; Q989-M992 PolarHBondContact O-N 3.33Å; M992-S994 PolarHBondContact O-N 2.98Å; M992-W995 PolarHBondContact O-N 2.98Å; M992-W995 VanDerWaalsContact O-N 3.09Å; M992-L996 PolarHBondContact O-N 2.71Å
993	D	35.8	Very low	32	Very low	96 Å²	96	119.6 Å²	119.6	51%	0.513	61%	0.607	S	S	.	*	H	α-helix	trans	-65.5	-19.4	-179.6	-60.6	-32.6	0	0	0	112.8	Q989	Q989-D993 WeakPolarHBondContact CG-OD2 3.4Å; Q989-D993 VanDerWaalsContact NE2-CG 3.29Å; Q989-D993 PolarHBondContact NE2-OD1 3.45Å; Q989-D993 PolarHBondContact NE2-OD2 3.24Å; Q989-D993 PolarHBondContact O-N 2.95Å
994	S	37.3	Very low	31.8	Very low	90 Å²	90	122.9 Å²	122.9	63%	0.629	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	-1.3	175.5	-175.1	0	0	0	0	114.4	N990 M992	N990-S994 WeakPolarHBondContact O-CB 3.45Å; N990-S994 PolarHBondContact O-N 3.39Å; M992-S994 PolarHBondContact O-N 2.98Å
995	W	32.8	Very low	31.6	Very low	119 Å²	119	121 Å²	121	45%	0.451	62%	0.623	S	S	.	*	S	Bend	trans	-111.3	4.9	175.5	-88.4	63.5	0	0	0	113.4	R71 F991 M992	R71-W995 HydrophobicContact CG-CZ3 4.47Å; R71-W995 PolarHBondContact NH2-O 2.83Å; F991-W995 AromaticContact CD1-CD1 3.71Å; F991-W995 HydrophobicContact CD1-CG 4.19Å; F991-W995 AromaticContact CD1-NE1 3.91Å; F991-W995 AromaticContact CD2-NE1 3.97Å; F991-W995 AromaticContact CE1-CD1 3.65Å; F991-W995 HydrophobicContact CE1-CD2 4.03Å; F991-W995 AromaticContact CE1-CE2 3.68Å; F991-W995 HydrophobicContact CE1-CG 4.03Å; F991-W995 HydrophobicContact CE1-CZ2 4.29Å; F991-W995 AromaticContact CE1-NE1 3.41Å; F991-W995 AromaticContact CE2-NE1 3.48Å; F991-W995 AromaticContact CG-CD1 3.98Å; F991-W995 AromaticContact CZ-CD1 3.87Å; F991-W995 HydrophobicContact CZ-CD2 4.35Å; F991-W995 AromaticContact CZ-CE2 3.53Å; F991-W995 AromaticContact CZ-CZ2 3.87Å; F991-W995 HydrophobicContact CZ-CZ2 3.87Å; F991-W995 AromaticContact CZ-NE1 3.18Å; F991-W995 VanDerWaalsContact O-CB 3.23Å; F991-W995 WeakPolarHBondContact O-CB 3.25Å; F991-W995 PolarHBondContact O-N 3.46Å; M992-W995 PolarHBondContact O-N 2.98Å; M992-W995 VanDerWaalsContact O-N 3.09Å
996	L	31.5	Very low	31.4	Very low	128 Å²	128	118.9 Å²	118.9	67%	0.67	62%	0.618	S	S	*	*	S	Bend	trans	-93.3	-5.3	-177.2	-108.2	159.7	0	0	0	114.6	M992 P998	M992-L996 PolarHBondContact O-N 2.71Å; L996-P998 VanDerWaalsContact O-CD 3.29Å; L996-P998 WeakPolarHBondContact O-CD 3.3Å
997	D	28.5	Very low	31.1	Very low	154 Å²	154	123.1 Å²	123.1	82%	0.824	64%	0.636	S	S	*	*			trans	-102.6	104.1	162.7	-81.5	-39.4	0	0	0	110.1
998	P	28.5	Very low	30.7	Very low	75 Å²	75	123.8 Å²	123.8	49%	0.487	65%	0.653	S	S	.	*			trans	-97.9	132.3	159.9	34.5	-28	0	0	0	111.6	L996	L996-P998 VanDerWaalsContact O-CD 3.29Å; L996-P998 WeakPolarHBondContact O-CD 3.3Å
999	D	28.8	Very low	30.4	Very low	132 Å²	132	125 Å²	125	71%	0.706	66%	0.661	S	S	*	*			trans	70.3	78	146.8	-40.5	-26.2	0	0	0	119.1	E1001	D999-E1001 PolarHBondContact O-N 3.21Å
1000	E	27.3	Very low	30.1	Very low	201 Å²	201	123.5 Å²	123.5	94%	0.939	66%	0.662	S	S	*	*			trans	-85.8	64.2	138.7	-83.8	-157.1	151.5	0	0	110.1	S1002	E1000-S1002 PolarHBondContact O-N 3.27Å
1001	E	25.8	Very low	29.6	Very low	176 Å²	176	123.2 Å²	123.2	82%	0.822	66%	0.66	S	S	*	*			trans	-76.3	113.8	161.9	-73.8	-158.9	144.9	0	0	109.1	D999 E1003	D999-E1001 PolarHBondContact O-N 3.21Å; E1001-E1003 PolarHBondContact O-N 3.45Å
1002	S	28.5	Very low	29.3	Very low	122 Å²	122	120.6 Å²	120.6	85%	0.853	66%	0.656	S	S	*	*			trans	-95.6	87.9	-170.7	40.8	0	0	0	0	113	E1000	E1000-S1002 PolarHBondContact O-N 3.27Å
1003	E	25.4	Very low	28.9	Very low	159 Å²	159	120.6 Å²	120.6	74%	0.743	66%	0.657	S	S	*	*			trans	-127.5	142.7	169.2	-67.8	-154.4	144.8	0	0	110	E1001	E1001-E1003 PolarHBondContact O-N 3.45Å
1004	H	27.9	Very low	28.5	Very low	142 Å²	142	122.4 Å²	122.4	66%	0.657	66%	0.657	S	S	*	*			cis	-160.2	170.7	12.2	-133	46.5	0	0	0	111.5
1005	N	27.2	Very low	28.1	Very low	117 Å²	117	123.4 Å²	123.4	63%	0.626	66%	0.656	S	S	*	*			trans	74.9	141.3	159.4	-70.1	34.6	0	0	0	119.6
1006	D	27.5	Very low	27.9	Very low	121 Å²	121	124.6 Å²	124.6	65%	0.647	67%	0.666	S	S	*	*			cis	-158.8	143	5.2	-121.5	-27.3	0	0	0	114.4
1007	N	29.1	Very low	27.8	Very low	145 Å²	145	123.6 Å²	123.6	78%	0.775	66%	0.662	S	S	*	*			trans	110.5	110.2	156.9	-63.4	-76.7	0	0	0	121
1008	A	28.8	Very low	27.8	Very low	94 Å²	94	119.9 Å²	119.9	78%	0.777	64%	0.642	S	S	*	*				65.9	134.9	128.7	0	0	0	0	0	120.2
1009	N	27.3	Very low	27.8	Very low	146 Å²	146	120.4 Å²	120.4	78%	0.781	64%	0.64	S	S	*	*			cis	-162.8	151.4	1.2	-152.5	27.3	0	0	0	111.5
1010	S	26.7	Very low	27.8	Very low	76 Å²	76	121.5 Å²	121.5	53%	0.531	64%	0.641	S	S	.	*			trans	34.5	140	146.7	63.5	0	0	0	0	122.3
1011	N	26.7	Very low	27.7	Very low	97 Å²	97	115.7 Å²	115.7	52%	0.519	62%	0.623	S	S	.	*			cis	-179.7	-164.4	-0.1	-108.1	12.4	0	0	0	108.8	D1060 D1061	N1011-D1060 PolarHBondContact ND2-O 3.27Å; N1011-D1061 WeakPolarHBondContact CB-O 3.1Å
1012	S	27.9	Very low	27.8	Very low	60 Å²	60	115.5 Å²	115.5	42%	0.42	62%	0.622	S	S	.	*			trans	-131.7	-111.3	-153.2	38.2	0	0	0	0	121	D1060 D1061 N1062	S1012-D1060 WeakPolarHBondContact CB-OD1 3.21Å; S1012-D1060 PolarHBondContact OG-OD1 2.91Å; S1012-D1061 WeakPolarHBondContact O-CA 3.2Å; S1012-N1062 WeakPolarHBondContact O-CB 3.41Å; S1012-N1062 PolarHBondContact O-ND2 2.94Å
1013	I	28.7	Very low	27.7	Very low	82 Å²	82	116.2 Å²	116.2	42%	0.421	61%	0.612	S	S	.	*			trans	81.6	114	-171.7	-82.1	-137	0	0	0	119.5	D1060 D1061	I1013-D1060 HydrophobicContact CB-CB 3.96Å; I1013-D1060 HydrophobicContact CD1-CB 4.24Å; I1013-D1060 HydrophobicContact CG1-CB 3.13Å; I1013-D1060 PolarHBondContact N-OD1 3.11Å; I1013-D1061 WeakPolarHBondContact CD1-OD2 3.4Å; I1013-D1061 HydrophobicContact CG1-CB 4.4Å; I1013-D1061 WeakPolarHBondContact CG1-OD2 3.38Å
1014	Y	26.8	Very low	28	Very low	134 Å²	134	116 Å²	116	53%	0.525	61%	0.609	S	S	.	*				19.2	159.6	123.2	-71.8	-77.1	0	0	0	122.7	N1058 D1060	Y1014-N1058 WeakPolarHBondContact CE2-ND2 3.25Å; Y1014-N1058 PolarHBondContact OH-ND2 3.02Å; Y1014-N1058 PolarHBondContact OH-OD1 2.77Å; Y1014-N1058 VanDerWaalsContact OH-OD1 3.06Å; Y1014-D1060 VanDerWaalsContact CD2-OD2 3.31Å; Y1014-D1060 WeakPolarHBondContact CD2-OD2 3.31Å; Y1014-D1060 WeakPolarHBondContact CE2-OD2 3.02Å
1015	D	29.3	Very low	28.1	Very low	112 Å²	112	114.7 Å²	114.7	60%	0.599	61%	0.606	S	S	*	*			cis	-164.3	171.8	9.7	-143.1	-16.2	0	0	0	115
1016	Q	28.6	Very low	28.1	Very low	143 Å²	143	115.8 Å²	115.8	67%	0.668	61%	0.608	S	S	*	*			trans	75.9	104	141.2	-83.4	172.2	66.2	0	0	126.7
1017	N	28.4	Very low	28.1	Very low	107 Å²	107	117 Å²	117	57%	0.572	61%	0.607	S	S	*	*				69.2	116.6	98.1	-85.8	-5.4	0	0	0	126.3	S1148 I1149	N1017-S1148 WeakPolarHBondContact CA-O 3.38Å; N1017-S1148 PolarHBondContact OD1-O 3.27Å; N1017-I1149 HydrophobicContact CB-CD1 3.46Å; N1017-I1149 VanDerWaalsContact CB-CD1 3.46Å; N1017-I1149 HydrophobicContact CB-CG1 3.2Å
1018	N	28.7	Very low	28	Very low	76 Å²	76	118.2 Å²	118.2	41%	0.406	61%	0.606	S	S	.	*				177.4	157.1	129	-134.2	-42.1	0	0	0	118.7	S1147 S1148 I1149	N1018-S1147 CarbonylContact O-C 3.05Å; N1018-S1147 WeakPolarHBondContact O-CB 3.48Å; N1018-S1147 PolarHBondContact O-OG 3.16Å; N1018-S1148 PolarHBondContact N-O 3.36Å; N1018-S1148 VanDerWaalsContact N-O 3.16Å; N1018-S1148 WeakPolarHBondContact O-CA 3.41Å; N1018-S1148 PolarHBondContact O-N 3.41Å; N1018-I1149 HydrophobicContact CB-CD1 4.02Å; N1018-I1149 HydrophobicContact CB-CG1 4.17Å; N1018-I1149 WeakPolarHBondContact ND2-CD1 3.44Å
1019	N	28.3	Very low	28	Very low	86 Å²	86	120.7 Å²	120.7	46%	0.46	61%	0.605	S	S	.	*			trans	-84.6	-166.2	173	-77.2	6.9	0	0	0	111.7	S1148 I1149	N1019-S1148 VanDerWaalsContact OD1-CA 3.25Å; N1019-S1148 WeakPolarHBondContact OD1-CA 3.41Å; N1019-I1149 WeakPolarHBondContact CB-O 3.44Å; N1019-I1149 VanDerWaalsContact CG-C 3.49Å; N1019-I1149 VanDerWaalsContact N-N 3.14Å; N1019-I1149 PolarHBondContact ND2-O 3.07Å; N1019-I1149 PolarHBondContact OD1-N 3.37Å; N1019-I1149 PolarHBondContact OD1-O 3.08Å
1020	Q	29	Very low	28	Very low	155 Å²	155	117.6 Å²	117.6	72%	0.724	60%	0.595	S	S	*	*			cis	-177.6	152	32.2	-150.7	179.5	-10.2	0	0	116.5
1021	S	26.1	Very low	28.2	Very low	80 Å²	80	120.3 Å²	120.3	56%	0.559	60%	0.603	S	S	*	*			trans	69.7	144.3	140.1	48.1	0	0	0	0	126.2
1022	E	27.8	Very low	28.3	Very low	172 Å²	172	123.1 Å²	123.1	80%	0.804	62%	0.618	S	S	*	*			trans	77.2	145.9	139.5	-80.6	169.1	-139.9	0	0	121.3
1023	E	26.4	Very low	28.3	Very low	137 Å²	137	127.8 Å²	127.8	64%	0.64	64%	0.637	S	S	*	*			cis	-169.2	177.5	-14.9	-151.1	-164.8	-169.3	0	0	110.9
1024	K	30	Very low	28	Very low	154 Å²	154	132.2 Å²	132.2	67%	0.67	66%	0.655	S	S	*	*			trans	81.5	147.2	160.8	-65.7	173.3	-173.4	77	0	118.1
1025	D	30.6	Very low	28.2	Very low	114 Å²	114	133.8 Å²	133.8	61%	0.61	67%	0.671	S	S	*	*			cis	-155.5	149.7	4	-122.9	-27.2	0	0	0	113.6
1026	Q	28.3	Very low	28.1	Very low	140 Å²	140	130.9 Å²	130.9	65%	0.654	67%	0.668	S	S	*	*			trans	38	148.5	142.9	-70.3	167.8	65.4	0	0	122.3
1027	F	26.5	Very low	27.9	Very low	146 Å²	146	131 Å²	131	64%	0.64	68%	0.678	S	S	*	*			cis	-169.9	139.5	7.5	-126.3	-41.6	0	0	0	110.9
1028	K	27.1	Very low	28.1	Very low	171 Å²	171	131.6 Å²	131.6	74%	0.743	69%	0.688	S	S	*	*			trans	59.1	143.2	150.2	-84	166.5	-177.3	172.2	0	119.1
1029	I	28.3	Very low	28	Very low	147 Å²	147	130.7 Å²	130.7	75%	0.754	70%	0.696	S	S	*	*			cis	-167.1	164.9	1.1	-141.4	174.4	0	0	0	105.9
1030	S	28.7	Very low	28.2	Very low	81 Å²	81	133 Å²	133	57%	0.566	72%	0.716	S	S	*	*			cis	-158	-178.1	18.2	-133.6	0	0	0	0	111
1031	D	31	Very low	28.2	Very low	132 Å²	132	133.9 Å²	133.9	71%	0.706	73%	0.725	S	S	*	*			trans	36	100.5	148.3	-49.3	11.5	0	0	0	118.1
1032	D	27.3	Very low	28.3	Very low	156 Å²	156	133.6 Å²	133.6	83%	0.834	73%	0.734	S	S	*	*				69.4	133.5	78.9	-73.7	-35.3	0	0	0	114.5
1033	I	29.2	Very low	28.1	Very low	158 Å²	158	134.2 Å²	134.2	81%	0.81	74%	0.737	S	S	*	*			cis	-133.9	151.5	25.7	-65.4	172.5	0	0	0	111.6
1034	H	22.6	Very low	28	Very low	176 Å²	176	136.4 Å²	136.4	82%	0.815	75%	0.75	S	S	*	*			trans	-125.2	114.9	-176.6	-178.1	-58.4	0	0	0	114
1035	I	29.8	Very low	27.8	Very low	166 Å²	166	139.5 Å²	139.5	85%	0.851	76%	0.759	S	S	*	*			trans	-147.6	135.3	161.9	-51.6	178.5	0	0	0	106.9
1036	G	27.9	Very low	27.7	Very low	52 Å²	52	144.5 Å²	144.5	54%	0.536	78%	0.775	S	S	.	*			cis	150.9	92.4	0.8	0	0	0	0	0	109.9
1037	V	23.7	Very low	27.6	Very low	145 Å²	145	143.6 Å²	143.6	88%	0.879	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-88.8	129.5	-174.5	178.9	0	0	0	0	111.1
1038	P	33.2	Very low	27.8	Very low	120 Å²	120	145.4 Å²	145.4	78%	0.779	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-92.8	124.6	167.4	33	-27.6	0	0	0	111.5
1039	G	27.4	Very low	27.8	Very low	56 Å²	56	143.3 Å²	143.3	58%	0.577	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-76.8	171.2	160.5	0	0	0	0	0	111.7
1040	P	31.5	Very low	27.9	Very low	136 Å²	136	141.3 Å²	141.3	88%	0.883	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-69.8	137	-178.7	29.5	-34.4	0	0	0	111.6
1041	L	28.8	Very low	28	Very low	173 Å²	173	144.6 Å²	144.6	91%	0.906	79%	0.792	S	S	*	*			trans	-111.7	141.3	168	-75.5	171.7	0	0	0	109.4
1042	G	27.4	Very low	28.1	Very low	74 Å²	74	142.7 Å²	142.7	76%	0.763	79%	0.79	S	S	*	*			trans	-80.2	-177.9	179.4	0	0	0	0	0	113.9
1043	E	23.4	Very low	28.4	Very low	184 Å²	184	141.8 Å²	141.8	86%	0.86	78%	0.784	S	S	*	*			trans	-66.1	136.5	179	-54.7	177.7	136	0	0	112
1044	M	26.3	Very low	28.7	Very low	184 Å²	184	141.8 Å²	141.8	91%	0.906	79%	0.786	S	S	*	*			trans	-141.9	118.3	156.9	-79.5	-161.7	166.8	0	0	110.5
1045	Y	24.7	Very low	29.3	Very low	219 Å²	219	139.3 Å²	139.3	86%	0.859	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-68.2	146.5	163.8	-81.7	-103.7	0	0	0	109.9
1046	F	29.6	Very low	29.6	Very low	219 Å²	219	140.2 Å²	140.2	96%	0.961	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-76.1	134.7	173.1	-96.8	-87.5	0	0	0	111.4
1047	N	26	Very low	29.9	Very low	121 Å²	121	144.7 Å²	144.7	65%	0.647	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-98.6	153.7	-168.2	-165.1	12.7	0	0	0	112.3
1048	H	30.4	Very low	30.3	Very low	183 Å²	183	142.1 Å²	142.1	85%	0.847	76%	0.759	S	S	*	*			trans	-141.3	144.8	160	-99.7	-64.9	0	0	0	110.2
1049	N	27.2	Very low	30.3	Very low	127 Å²	127	140.1 Å²	140.1	68%	0.679	75%	0.748	S	S	*	*			trans	-98.2	-161.9	-147.4	-53.3	-23.6	0	0	0	114.8
1050	S	30.7	Very low	30.7	Very low	105 Å²	105	139.3 Å²	139.3	73%	0.734	73%	0.73	S	S	*	*			trans	80.3	132.8	171.8	49.1	0	0	0	0	117.5
1051	D	30.9	Very low	31	Very low	150 Å²	150	137.2 Å²	137.2	80%	0.802	71%	0.712	S	S	*	*			cis	-158.8	163.1	-6.2	-95.2	-25.4	0	0	0	111.4
1052	S	32.8	Very low	31.3	Very low	93 Å²	93	132.4 Å²	132.4	65%	0.65	69%	0.687	S	S	*	*			trans	63.1	134.8	162.5	-74.6	0	0	0	0	120.2
1053	D	32.9	Very low	31.9	Very low	136 Å²	136	136.4 Å²	136.4	73%	0.727	68%	0.684	S	S	*	*				63.9	129	73.5	-38.8	-49.3	0	0	0	110.9
1054	D	36.1	Very low	32.6	Very low	159 Å²	159	133.4 Å²	133.4	85%	0.85	67%	0.673	S	S	*	*			cis	-144.5	-174.4	30.4	-72.7	-51.5	0	0	0	109.9
1055	D	33.7	Very low	33.1	Very low	123 Å²	123	131.4 Å²	131.4	66%	0.658	67%	0.666	S	S	*	*			cis	173.2	170.5	-38.3	-167.9	9.5	0	0	0	106.1
1056	Y	36.2	Very low	33.7	Very low	186 Å²	186	126.7 Å²	126.7	73%	0.729	66%	0.656	S	S	*	*			trans	68.6	150.3	170.5	-82.2	-113.7	0	0	0	120.3
1057	F	33.9	Very low	33.9	Very low	145 Å²	145	123 Å²	123	64%	0.636	64%	0.64	S	S	*	*			cis	-172.7	119.5	-31.9	-130.2	-98.7	0	0	0	104.8
1058	N	32.5	Very low	34.3	Very low	92 Å²	92	123.6 Å²	123.6	49%	0.492	64%	0.643	S	S	.	*				69.5	129.9	85.5	-110.9	14	0	0	0	118.2	Y1014	Y1014-N1058 WeakPolarHBondContact CE2-ND2 3.25Å; Y1014-N1058 PolarHBondContact OH-ND2 3.02Å; Y1014-N1058 PolarHBondContact OH-OD1 2.77Å; Y1014-N1058 VanDerWaalsContact OH-OD1 3.06Å
1059	S	34.2	Very low	34.4	Very low	78 Å²	78	122.6 Å²	122.6	55%	0.545	64%	0.638	S	S	.	*			trans	90.3	150.2	137.2	-58.6	0	0	0	0	123.5
1060	D	35.1	Very low	34.5	Very low	38 Å²	38	122.2 Å²	122.2	20%	0.203	64%	0.636	C	S	.	*			cis	175.8	-166.7	-27.6	-92.8	-52.6	0	0	0	109.8	N1011 S1012 I1013 Y1014	N1011-D1060 PolarHBondContact ND2-O 3.27Å; S1012-D1060 WeakPolarHBondContact CB-OD1 3.21Å; S1012-D1060 PolarHBondContact OG-OD1 2.91Å; I1013-D1060 HydrophobicContact CB-CB 3.96Å; I1013-D1060 HydrophobicContact CD1-CB 4.24Å; I1013-D1060 HydrophobicContact CG1-CB 3.13Å; I1013-D1060 PolarHBondContact N-OD1 3.11Å; Y1014-D1060 VanDerWaalsContact CD2-OD2 3.31Å; Y1014-D1060 WeakPolarHBondContact CD2-OD2 3.31Å; Y1014-D1060 WeakPolarHBondContact CE2-OD2 3.02Å
1061	D	38.1	Very low	34.7	Very low	92 Å²	92	124.1 Å²	124.1	49%	0.492	64%	0.638	S	S	.	*			trans	66.7	139.6	169.4	-94.5	-43	0	0	0	123.3	N1011 S1012 I1013	N1011-D1061 WeakPolarHBondContact CB-O 3.1Å; S1012-D1061 WeakPolarHBondContact O-CA 3.2Å; I1013-D1061 WeakPolarHBondContact CD1-OD2 3.4Å; I1013-D1061 HydrophobicContact CG1-CB 4.4Å; I1013-D1061 WeakPolarHBondContact CG1-OD2 3.38Å
1062	N	35.9	Very low	34.8	Very low	72 Å²	72	123.9 Å²	123.9	39%	0.385	63%	0.632	S	S	.	*			cis	-175.7	166.2	-48.4	-148.8	-21.4	0	0	0	109.3	S1012	S1012-N1062 WeakPolarHBondContact O-CB 3.41Å; S1012-N1062 PolarHBondContact O-ND2 2.94Å
1063	K	38.9	Very low	34.8	Very low	159 Å²	159	125.8 Å²	125.8	69%	0.691	64%	0.635	S	S	*	*			trans	67.3	158.1	151.6	-68.7	174.5	177	167.7	0	120.6
1064	D	38.1	Very low	34.7	Very low	121 Å²	121	124.4 Å²	124.4	65%	0.647	63%	0.627	S	S	*	*			cis	-161.8	167.9	-12.3	-104.7	-22	0	0	0	111
1065	D	37.2	Very low	34.6	Very low	141 Å²	141	124.7 Å²	124.7	75%	0.754	62%	0.621	S	S	*	*			trans	75.2	131.3	151	-70.9	-21.8	0	0	0	125.5
1066	D	36.8	Very low	34.5	Very low	120 Å²	120	123.4 Å²	123.4	64%	0.642	62%	0.622	S	S	*	*				103.9	111.9	128.1	-95.2	-10.2	0	0	0	124.9
1067	K	35.3	Very low	34.1	Very low	143 Å²	143	123.4 Å²	123.4	62%	0.622	63%	0.625	S	S	*	*				92.6	113.1	129.9	-70.4	179.6	169.8	63.2	0	125
1068	D	32.6	Very low	34	Very low	132 Å²	132	123.9 Å²	123.9	71%	0.706	63%	0.634	S	S	*	*				68.7	121	114.2	-55	-11.3	0	0	0	124.2
1069	E	34.3	Very low	33.7	Very low	162 Å²	162	126.6 Å²	126.6	76%	0.757	65%	0.649	S	S	*	*			trans	73.6	109.9	130.6	-67.8	-155.2	138.5	0	0	124.6
1070	N	29	Very low	33.5	Very low	119 Å²	119	131 Å²	131	64%	0.636	67%	0.665	S	S	*	*				84.3	155.9	119	-61	-21.6	0	0	0	123.8
1071	D	33.3	Very low	33	Very low	145 Å²	145	137.8 Å²	137.8	78%	0.775	70%	0.695	S	S	*	*			trans	70.8	141	160.3	-61.4	-17.2	0	0	0	119.2
1072	E	33.1	Very low	32.7	Very low	146 Å²	146	138.6 Å²	138.6	68%	0.682	71%	0.708	S	S	*	*			cis	-163.5	161	-3.1	-128	-160.8	140.7	0	0	111.8
1073	L	32.8	Very low	32.3	Very low	133 Å²	133	145.8 Å²	145.8	70%	0.696	73%	0.729	S	S	*	*			trans	65.8	152.2	148.3	-65.5	170.3	0	0	0	120.8
1074	D	32.7	Very low	31.8	Very low	107 Å²	107	141 Å²	141	57%	0.572	73%	0.726	S	S	*	*			cis	-174.7	165.9	-15.4	-174.5	14.5	0	0	0	110.9
1075	K	33.3	Very low	31.4	Very low	164 Å²	164	145 Å²	145	71%	0.713	73%	0.733	S	S	*	*			trans	68.4	154.7	165.6	-65.9	169	-170.6	73.4	0	119.2
1076	S	31.2	Very low	31	Very low	97 Å²	97	143.1 Å²	143.1	68%	0.678	73%	0.73	S	S	*	*			cis	-178.8	143.2	-34.3	56.1	0	0	0	0	110.1
1077	K	28.4	Very low	30.4	Very low	186 Å²	186	144.2 Å²	144.2	81%	0.809	74%	0.736	S	S	*	*			trans	29	139.8	143.7	-60.7	-177.3	179.1	178.2	0	120.1
1078	D	30.4	Very low	30	Very low	154 Å²	154	141.5 Å²	141.5	82%	0.824	74%	0.735	S	S	*	*				-167	167	64.9	-109.7	-40.6	0	0	0	114.8
1079	N	26.1	Very low	29.9	Very low	149 Å²	149	141.8 Å²	141.8	80%	0.797	74%	0.736	S	S	*	*			trans	-87.1	168.2	169.7	-87.8	-50.8	0	0	0	112.5
1080	I	30.9	Very low	29.8	Very low	171 Å²	171	141.7 Å²	141.7	88%	0.877	74%	0.736	S	S	*	*			trans	-168.4	144.5	135.1	-103.7	153.1	0	0	0	113.5
1081	H	24.7	Very low	30	Very low	180 Å²	180	142.4 Å²	142.4	83%	0.833	74%	0.74	S	S	*	*			trans	-87.8	155.2	175.6	-69	-62.3	0	0	0	114.3
1082	S	31.9	Very low	30.4	Very low	110 Å²	110	141.7 Å²	141.7	77%	0.769	74%	0.736	S	S	*	*				-158.8	135.7	128.8	-81.2	0	0	0	0	109.4
1083	R	27.7	Very low	30.5	Very low	222 Å²	222	141.3 Å²	141.3	84%	0.838	74%	0.738	S	S	*	*			cis	78	116.6	44.9	-173.4	-172.4	-169.3	146	4.3	111.2
1084	G	28.8	Very low	30.8	Very low	60 Å²	60	141.3 Å²	141.3	62%	0.619	74%	0.739	S	S	*	*			cis	157	-178	-1.4	0	0	0	0	0	110.2
1085	Y	29.6	Very low	31	Very low	205 Å²	205	142.7 Å²	142.7	80%	0.804	75%	0.746	S	S	*	*			trans	67.3	151	174.6	-62.6	-97.6	0	0	0	115.4
1086	C	27.5	Very low	31.1	Very low	101 Å²	101	141.8 Å²	141.8	68%	0.682	75%	0.749	S	S	*	*			cis	-160.3	179.4	-22.9	-125.3	0	0	0	0	110.2
1087	N	25.5	Very low	31.4	Very low	143 Å²	143	144.5 Å²	144.5	77%	0.765	76%	0.756	S	S	*	*			trans	-42.4	166.4	156.9	-42.6	6.3	0	0	0	112.7
1088	S	27.3	Very low	31.7	Very low	85 Å²	85	143.7 Å²	143.7	59%	0.594	76%	0.756	S	S	*	*			cis	-164	171.3	26.2	-30.5	0	0	0	0	112.3
1089	D	28.6	Very low	32.1	Very low	138 Å²	138	145.4 Å²	145.4	74%	0.738	76%	0.758	S	S	*	*			trans	61	164.1	143.7	-46.9	-24.5	0	0	0	117.1
1090	E	33	Very low	32.4	Very low	160 Å²	160	145.3 Å²	145.3	75%	0.748	76%	0.758	S	S	*	*			cis	-157.8	146.8	6.4	-136.4	154	-146.9	0	0	108.1
1091	D	34.3	Very low	32.5	Very low	134 Å²	134	144 Å²	144	72%	0.717	75%	0.752	S	S	*	*			trans	61.5	153.2	139.7	-64.4	2.6	0	0	0	126.9
1092	D	40.4	Very low	32.9	Very low	130 Å²	130	145.6 Å²	145.6	70%	0.695	76%	0.757	S	S	*	*			trans	72.9	106.2	147.3	-61.5	-3.9	0	0	0	125.1
1093	D	36.3	Very low	32.7	Very low	138 Å²	138	145.6 Å²	145.6	74%	0.738	76%	0.756	S	S	*	*				86.3	157.6	110.7	-68.8	-10.4	0	0	0	126.6
1094	D	38.4	Very low	33.2	Very low	134 Å²	134	140.3 Å²	140.3	72%	0.717	75%	0.751	S	S	*	*			trans	82.1	116.4	155.9	-64.2	-14.6	0	0	0	124.1
1095	D	37.4	Very low	33.1	Very low	135 Å²	135	143.2 Å²	143.2	72%	0.722	76%	0.757	S	S	*	*				76	120	128.1	-63.3	-4.5	0	0	0	125.1
1096	D	34.6	Very low	33.1	Very low	145 Å²	145	140.9 Å²	140.9	78%	0.775	75%	0.753	S	S	*	*				32.2	131.3	123.9	-62.2	-10.9	0	0	0	121.5
1097	D	37.8	Very low	33.1	Very low	154 Å²	154	141.8 Å²	141.8	82%	0.824	75%	0.75	S	S	*	*				-175.5	173.4	99.1	-117.8	-29.9	0	0	0	115.6
1098	E	35.4	Very low	33.2	Very low	170 Å²	170	142.8 Å²	142.8	79%	0.794	75%	0.747	S	S	*	*			trans	-56.4	166.4	180	-58	-170.7	138	0	0	115.8
1099	E	37.7	Very low	33.2	Very low	189 Å²	189	145.6 Å²	145.6	88%	0.883	75%	0.751	S	S	*	*			cis	-145.2	160.8	35.4	-83.9	-169.5	132.8	0	0	114.9
1100	D	32.3	Very low	33.1	Very low	148 Å²	148	148.3 Å²	148.3	79%	0.791	76%	0.759	S	S	*	*			trans	-111.9	-177.3	172.8	-162.2	-8.3	0	0	0	111.1
1101	L	33.1	Very low	32.9	Very low	144 Å²	144	149.6 Å²	149.6	75%	0.754	77%	0.765	S	S	*	*			trans	87.7	83.4	167.9	-48.8	178	0	0	0	119
1102	K	32.7	Very low	32.4	Very low	213 Å²	213	149 Å²	149	93%	0.926	77%	0.771	S	S	*	*				-164.6	141.4	104.7	-104.2	153.9	-169.7	160.2	0	115.8
1103	S	28.5	Very low	31.7	Very low	109 Å²	109	148.1 Å²	148.1	76%	0.762	78%	0.776	S	S	*	*			trans	-101.6	-170.9	-164.1	59.3	0	0	0	0	112.9
1104	P	38.1	Very low	31.3	Very low	111 Å²	111	151 Å²	151	72%	0.721	78%	0.781	S	S	*	*				-131.8	-139.7	-84.5	39.7	-20	0	0	0	111.7
1105	V	27.7	Very low	30.6	Very low	122 Å²	122	153.3 Å²	153.3	74%	0.739	79%	0.788	S	S	*	*			trans	80.6	130.3	169.1	178.1	0	0	0	0	115.6
1106	Q	27.8	Very low	29.9	Very low	156 Å²	156	151.6 Å²	151.6	73%	0.729	79%	0.787	S	S	*	*			cis	-175.6	174.8	-20.7	-134	177.3	-2.2	0	0	111.1
1107	I	28.7	Very low	29.4	Very low	120 Å²	120	151.4 Å²	151.4	62%	0.615	78%	0.784	S	S	*	*			trans	79.4	110.9	144.1	-78.5	165.6	0	0	0	120.4
1108	K	27.7	Very low	28.9	Very low	164 Å²	164	152.2 Å²	152.2	71%	0.713	79%	0.787	S	S	*	*				57.2	157.1	128.5	-60.4	-176.3	156.9	-157.7	0	120.9
1109	Q	25.7	Very low	28.4	Very low	143 Å²	143	149.7 Å²	149.7	67%	0.668	78%	0.779	S	S	*	*			cis	-166.7	140.4	-19.4	-110.9	172.1	-47	0	0	107.1
1110	Q	28.4	Very low	28	Very low	195 Å²	195	145.7 Å²	145.7	91%	0.911	78%	0.777	S	S	*	*			trans	-170.3	130.2	140.7	-109.8	164.5	8.4	0	0	109.1
1111	H	27.7	Very low	27.7	Very low	187 Å²	187	144.9 Å²	144.9	87%	0.866	77%	0.773	S	S	*	*			trans	-102.6	140.7	169	-81.6	-94.6	0	0	0	108.9
1112	S	24.5	Very low	27.4	Very low	121 Å²	121	143.5 Å²	143.5	85%	0.846	78%	0.776	S	S	*	*			trans	-144.1	158.8	151.8	-171.7	0	0	0	0	107.7
1113	S	25	Very low	27.1	Very low	113 Å²	113	138.1 Å²	138.1	79%	0.79	77%	0.765	S	S	*	*			trans	-70.2	147.7	-162.1	-59	0	0	0	0	114.7
1114	K	28.1	Very low	27	Very low	197 Å²	197	140 Å²	140	86%	0.857	77%	0.772	S	S	*	*			trans	-163.8	138.8	149.2	-115.6	163.7	-172.2	174.8	0	112.3
1115	Q	22.7	Very low	26.3	Very low	184 Å²	184	139.6 Å²	139.6	86%	0.86	77%	0.772	S	S	*	*			trans	-66.6	132.7	157.5	-66.5	97.2	-41	0	0	109.8
1116	S	23.6	Very low	26.1	Very low	99 Å²	99	140.9 Å²	140.9	69%	0.692	78%	0.779	S	S	*	*			trans	-169.2	122.4	132.8	57	0	0	0	0	112
1117	I	23.7	Very low	25.8	Very low	141 Å²	141	138.4 Å²	138.4	72%	0.723	78%	0.775	S	S	*	*			trans	39.8	106.3	132.7	-48	166.2	0	0	0	117
1118	I	27.9	Very low	25.6	Very low	171 Å²	171	142.7 Å²	142.7	88%	0.877	79%	0.785	S	S	*	*			trans	-128.4	130	132.4	-66.8	-173.4	0	0	0	107.7
1119	N	25.5	Very low	25.4	Very low	117 Å²	117	139.9 Å²	139.9	63%	0.626	78%	0.777	S	S	*	*			trans	-74.9	141.3	179.8	-61.7	-33	0	0	0	111.5
1120	A	27.7	Very low	25.4	Very low	104 Å²	104	140 Å²	140	86%	0.86	78%	0.778	S	S	*	*			trans	-112.1	78.5	156.5	0	0	0	0	0	108.7	S1122	A1120-S1122 PolarHBondContact O-N 2.69Å
1121	N	26.3	Very low	25.2	Very low	131 Å²	131	135.6 Å²	135.6	70%	0.701	77%	0.768	S	S	*	*			trans	-77	113.3	177.5	-77.8	-4.2	0	0	0	110.7
1122	S	27.5	Very low	25.1	Very low	116 Å²	116	134.7 Å²	134.7	81%	0.811	77%	0.77	S	S	*	*			trans	-114	84.9	157.7	61.3	0	0	0	0	109.2	A1120	A1120-S1122 PolarHBondContact O-N 2.69Å
1123	S	25.3	Very low	25	Very low	100 Å²	100	136.1 Å²	136.1	70%	0.699	76%	0.763	S	S	*	*			trans	-72.5	131.4	-172.8	-51.4	0	0	0	0	113
1124	T	26.4	Very low	24.9	Very low	149 Å²	149	138.7 Å²	138.7	91%	0.914	76%	0.761	S	S	*	*			trans	-135.9	89.4	153.8	28.5	0	0	0	0	109.5
1125	S	23.8	Very low	24.7	Very low	102 Å²	102	135.2 Å²	135.2	71%	0.713	76%	0.756	S	S	*	*			trans	-95.6	135.5	167.2	51.1	0	0	0	0	110.1
1126	V	24.6	Very low	24.7	Very low	148 Å²	148	134.2 Å²	134.2	90%	0.897	75%	0.751	S	S	*	*			trans	-118.2	127.1	159.1	179.6	0	0	0	0	106.7
1127	V	21.9	Very low	24.7	Very low	104 Å²	104	136.3 Å²	136.3	63%	0.63	76%	0.76	S	S	*	*			trans	-123.7	169.4	-179.4	174.2	0	0	0	0	107.4
1128	Y	23.9	Very low	24.7	Very low	210 Å²	210	133.5 Å²	133.5	82%	0.824	75%	0.752	S	S	*	*			trans	101.2	133.4	174.8	-72.1	-99.2	0	0	0	115.7
1129	N	24.3	Very low	24.5	Very low	105 Å²	105	130.6 Å²	130.6	56%	0.561	75%	0.747	S	S	*	*			cis	-167.6	169.1	-30.3	-135.9	-20.7	0	0	0	112.2
1130	H	25.4	Very low	24.5	Very low	147 Å²	147	131.8 Å²	131.8	68%	0.681	76%	0.759	S	S	*	*			trans	65.7	106.9	152.3	-70.6	-45.8	0	0	0	121.8
1131	S	22.7	Very low	24.3	Very low	101 Å²	101	132.6 Å²	132.6	71%	0.706	75%	0.753	S	S	*	*				64.2	120.6	109.9	-52.3	0	0	0	0	120.5
1132	N	25.7	Very low	24.3	Very low	169 Å²	169	132.4 Å²	132.4	90%	0.904	76%	0.757	S	S	*	*				-153.1	173.7	103.8	-123.6	15.9	0	0	0	112.9
1133	E	22.8	Very low	24.4	Very low	150 Å²	150	134 Å²	134	70%	0.701	75%	0.751	S	S	*	*			trans	-128.2	170.7	-163.3	-169.2	179.6	-157.2	0	0	110.8
1134	F	22.9	Very low	24.6	Very low	168 Å²	168	135.3 Å²	135.3	74%	0.737	75%	0.75	S	S	*	*			trans	68.6	140.9	-178.8	-61	-89	0	0	0	115
1135	T	24.5	Very low	24.7	Very low	124 Å²	124	134.4 Å²	134.4	76%	0.761	74%	0.74	S	S	*	*			cis	-140.8	149.1	33.1	35.1	0	0	0	0	113.8
1136	E	21.6	Very low	24.7	Very low	162 Å²	162	136.8 Å²	136.8	76%	0.757	74%	0.74	S	S	*	*			trans	-68	149.4	155	-61.9	168.1	100.2	0	0	110.5
1137	V	24.6	Very low	24.9	Very low	144 Å²	144	134 Å²	134	87%	0.873	73%	0.726	S	S	*	*			trans	-134.4	100.4	150.9	-177.8	0	0	0	0	108.6
1138	S	23.1	Very low	25.1	Very low	81 Å²	81	132.9 Å²	132.9	57%	0.566	72%	0.723	S	S	*	*			trans	-77.2	138.4	178.7	-49.5	0	0	0	0	111.8
1139	S	24.1	Very low	25.3	Very low	110 Å²	110	124.5 Å²	124.5	77%	0.769	69%	0.692	S	S	*	*			trans	14.2	115.8	150.2	58.3	0	0	0	0	119.3
1140	V	24.8	Very low	25.4	Very low	143 Å²	143	127.7 Å²	127.7	87%	0.867	70%	0.701	S	S	*	*			trans	-128.5	113.9	145.5	-179.1	0	0	0	0	110.8
1141	T	23.2	Very low	25.4	Very low	121 Å²	121	126.9 Å²	126.9	74%	0.742	70%	0.7	S	S	*	*			trans	-47.6	151	169.3	31.4	0	0	0	0	116.7
1142	T	27.2	Very low	25.6	Very low	127 Å²	127	128.8 Å²	128.8	78%	0.779	70%	0.703	S	S	*	*			trans	-179.4	143.5	136.1	33	0	0	0	0	107.8
1143	H	28.7	Very low	25.6	Very low	150 Å²	150	124.8 Å²	124.8	69%	0.694	69%	0.688	S	S	*	*			cis	-161.1	144.3	-12	-125.9	-52.1	0	0	0	108
1144	N	30.1	Very low	25.8	Very low	127 Å²	127	125.6 Å²	125.6	68%	0.679	70%	0.697	S	S	*	*			trans	70.4	155	152.7	-55.6	-13	0	0	0	119.7
1145	N	28.7	Very low	26	Very low	129 Å²	129	120.7 Å²	120.7	69%	0.69	69%	0.694	S	S	*	*			cis	-158.5	177.1	-32.4	-117.1	38.2	0	0	0	110.1
1146	E	24.4	Very low	26.2	Very low	153 Å²	153	121.4 Å²	121.4	72%	0.715	69%	0.693	S	S	*	*			trans	-58.4	163.1	178.6	-43	120.4	124.3	0	0	115.5
1147	S	28	Very low	26.4	Very low	88 Å²	88	119.8 Å²	119.8	62%	0.615	69%	0.69	S	S	*	*				162.5	150	98.4	54	0	0	0	0	114.8	N1018	N1018-S1147 CarbonylContact O-C 3.05Å; N1018-S1147 WeakPolarHBondContact O-CB 3.48Å; N1018-S1147 PolarHBondContact O-OG 3.16Å
1148	S	25.7	Very low	26.5	Very low	81 Å²	81	119.6 Å²	119.6	57%	0.566	68%	0.683	S	S	*	*			trans	-146.9	131.4	-179.6	-63.4	0	0	0	0	115.1	N1017 N1018 N1019	N1017-S1148 WeakPolarHBondContact CA-O 3.38Å; N1017-S1148 PolarHBondContact OD1-O 3.27Å; N1018-S1148 PolarHBondContact N-O 3.36Å; N1018-S1148 VanDerWaalsContact N-O 3.16Å; N1018-S1148 WeakPolarHBondContact O-CA 3.41Å; N1018-S1148 PolarHBondContact O-N 3.41Å; N1019-S1148 VanDerWaalsContact OD1-CA 3.25Å; N1019-S1148 WeakPolarHBondContact OD1-CA 3.41Å
1149	I	28.2	Very low	26.6	Very low	34 Å²	34	120.2 Å²	120.2	17%	0.174	69%	0.687	C	S	.	*			trans	-161.6	150	146.3	-44.5	161.9	0	0	0	112.1	N1017 N1018 N1019 I1151	N1017-I1149 HydrophobicContact CB-CD1 3.46Å; N1017-I1149 VanDerWaalsContact CB-CD1 3.46Å; N1017-I1149 HydrophobicContact CB-CG1 3.2Å; N1018-I1149 HydrophobicContact CB-CD1 4.02Å; N1018-I1149 HydrophobicContact CB-CG1 4.17Å; N1018-I1149 WeakPolarHBondContact ND2-CD1 3.44Å; N1019-I1149 WeakPolarHBondContact CB-O 3.44Å; N1019-I1149 VanDerWaalsContact CG-C 3.49Å; N1019-I1149 VanDerWaalsContact N-N 3.14Å; N1019-I1149 PolarHBondContact ND2-O 3.07Å; N1019-I1149 PolarHBondContact OD1-N 3.37Å; N1019-I1149 PolarHBondContact OD1-O 3.08Å; I1149-I1151 HydrophobicContact CG2-CG1 4.26Å
1150	K	27.1	Very low	26.8	Very low	173 Å²	173	122.9 Å²	122.9	75%	0.752	69%	0.688	S	S	*	*			trans	-28	179.9	138.5	-40.9	138.7	-171.8	171	0	114.1
1151	I	25	Very low	27	Very low	129 Å²	129	121.5 Å²	121.5	66%	0.662	68%	0.68	S	S	*	*			cis	-157.4	138.5	29.3	-38.2	158	0	0	0	109.2	I1149	I1149-I1151 HydrophobicContact CG2-CG1 4.26Å
1152	N	27.4	Very low	27	Very low	141 Å²	141	120.8 Å²	120.8	75%	0.754	68%	0.679	S	S	*	*			trans	151.7	118.3	134.3	-75.8	-30.4	0	0	0	108.4
1153	S	25.7	Very low	27.2	Very low	85 Å²	85	121.2 Å²	121.2	59%	0.594	68%	0.682	S	S	*	*			cis	68.8	82	43.8	93.3	0	0	0	0	113.4
1154	N	26.5	Very low	27.2	Very low	168 Å²	168	119.7 Å²	119.7	90%	0.898	68%	0.683	S	S	*	*				171.1	161	123.2	-93.5	-58	0	0	0	111.7
1155	G	27.8	Very low	27.3	Very low	64 Å²	64	121 Å²	121	66%	0.66	69%	0.689	S	S	*	*			trans	121.2	67.4	144	0	0	0	0	0	119
1156	N	28.1	Very low	27.6	Very low	140 Å²	140	120.6 Å²	120.6	75%	0.749	69%	0.693	S	S	*	*				52.4	113.2	124.5	-71.5	-14.2	0	0	0	121.1
1157	N	26.4	Very low	27.6	Very low	128 Å²	128	119.6 Å²	119.6	68%	0.684	70%	0.698	S	S	*	*				92.5	129.1	113.9	-70.9	-20.7	0	0	0	122.3
1158	L	26.1	Very low	27.6	Very low	139 Å²	139	121.9 Å²	121.9	73%	0.728	71%	0.708	S	S	*	*			trans	66.4	105.9	137.4	-87.9	81.9	0	0	0	120.2
1159	S	25.9	Very low	27.8	Very low	95 Å²	95	125.4 Å²	125.4	66%	0.664	72%	0.719	S	S	*	*				80.7	168.9	117.5	81.6	0	0	0	0	117.5
1160	Q	28.6	Very low	27.5	Very low	165 Å²	165	129.7 Å²	129.7	77%	0.771	75%	0.747	S	S	*	*			cis	-159.1	168.7	11.4	-150.5	171.6	54.4	0	0	111.3
1161	V	27.9	Very low	27.7	Very low	115 Å²	115	128.3 Å²	128.3	70%	0.697	75%	0.753	S	S	*	*			trans	64.9	109.1	164.3	-172.7	0	0	0	0	115.4
1162	S	24.4	Very low	27.7	Very low	106 Å²	106	128.1 Å²	128.1	74%	0.741	76%	0.758	S	S	*	*			cis	84	116.1	39	-51.7	0	0	0	0	116.5
1163	T	30.7	Very low	27.7	Very low	135 Å²	135	125.8 Å²	125.8	83%	0.828	76%	0.759	S	S	*	*			trans	-152.6	113.9	145.3	25.3	0	0	0	0	112.1
1164	T	29.5	Very low	27.8	Very low	118 Å²	118	127 Å²	127	72%	0.724	76%	0.762	S	S	*	*			trans	42.2	124.8	146.2	54.4	0	0	0	0	121.9
1165	I	30.7	Very low	27.9	Very low	155 Å²	155	127.3 Å²	127.3	80%	0.795	76%	0.758	S	S	*	*				73.2	135.9	50.6	-62.5	171.3	0	0	0	111.8
1166	P	35.1	Very low	28	Very low	121 Å²	121	130.8 Å²	130.8	79%	0.786	77%	0.767	S	S	*	*			cis	-130.5	167	23.1	25.5	-2.2	0	0	0	119.2
1167	T	25.1	Very low	27.9	Very low	132 Å²	132	129.8 Å²	129.8	81%	0.81	77%	0.766	S	S	*	*			trans	-103.9	154.4	160.3	39.8	0	0	0	0	112.1
1168	T	27	Very low	28	Very low	136 Å²	136	130.4 Å²	130.4	83%	0.834	77%	0.769	S	S	*	*			trans	157.6	158.5	153.3	36.4	0	0	0	0	108
1169	I	29.9	Very low	28.1	Very low	155 Å²	155	128.5 Å²	128.5	80%	0.795	77%	0.768	S	S	*	*			cis	-135.7	151.7	25.7	-67.4	169.7	0	0	0	111.2
1170	T	23.6	Very low	28.1	Very low	124 Å²	124	130.4 Å²	130.4	76%	0.761	78%	0.775	S	S	*	*			trans	-85.4	139.8	174.1	-24.2	0	0	0	0	113.3
1171	T	29.8	Very low	27.9	Very low	143 Å²	143	130.7 Å²	130.7	88%	0.877	78%	0.78	S	S	*	*			trans	-155.3	154	156.2	5.9	0	0	0	0	112.8
1172	T	25.2	Very low	27.6	Very low	125 Å²	125	130 Å²	130	77%	0.767	78%	0.781	S	S	*	*			trans	-123.7	136.6	-170.1	50.8	0	0	0	0	113.5
1173	A	29	Very low	27.5	Very low	93 Å²	93	131.6 Å²	131.6	77%	0.769	78%	0.78	S	S	*	*			trans	-161.1	124.4	151.2	0	0	0	0	0	107.6
1174	T	27.5	Very low	27.1	Very low	109 Å²	109	134 Å²	134	67%	0.669	78%	0.78	S	S	*	*			cis	87.7	106.5	32.1	71.9	0	0	0	0	115.5
1175	H	27.7	Very low	26.9	Very low	175 Å²	175	134.4 Å²	134.4	81%	0.81	78%	0.782	S	S	*	*			trans	65.3	147.1	167.1	-54.6	-67.3	0	0	0	116.2
1176	T	29.8	Very low	26.7	Very low	137 Å²	137	134.3 Å²	134.3	84%	0.84	78%	0.778	S	S	*	*			cis	-133.8	159	30.1	48	0	0	0	0	115.2
1177	T	27	Very low	26.1	Very low	119 Å²	119	135.5 Å²	135.5	73%	0.73	78%	0.778	S	S	*	*			trans	-120.6	152.2	172.9	54.3	0	0	0	0	111.2
1178	N	28.6	Very low	26.2	Very low	142 Å²	142	137.1 Å²	137.1	76%	0.759	78%	0.78	S	S	*	*				164	123.8	123.1	-82.3	3.8	0	0	0	114.3
1179	S	26.5	Very low	26	Very low	99 Å²	99	137.2 Å²	137.2	69%	0.692	77%	0.77	S	S	*	*			trans	46.1	102.6	130.6	-45.4	0	0	0	0	122.2
1180	T	25.9	Very low	25.8	Very low	134 Å²	134	137.8 Å²	137.8	82%	0.822	77%	0.772	S	S	*	*				20.4	125.7	122	56	0	0	0	0	120.6
1181	I	25.6	Very low	25.9	Very low	172 Å²	172	138.6 Å²	138.6	88%	0.882	77%	0.765	S	S	*	*			trans	-131.1	145	140.3	-70.1	-176	0	0	0	107.6
1182	S	21.4	Very low	25.6	Very low	100 Å²	100	139.6 Å²	139.6	70%	0.699	76%	0.764	S	S	*	*			trans	-99	156.5	176.4	-179.3	0	0	0	0	111.5
1183	L	22.3	Very low	25.6	Very low	140 Å²	140	142.3 Å²	142.3	73%	0.733	77%	0.766	S	S	*	*			trans	147.1	123.1	141.2	-80.2	164.6	0	0	0	112.6
1184	F	21.3	Very low	25.6	Very low	186 Å²	186	145.4 Å²	145.4	82%	0.816	77%	0.769	S	S	*	*			trans	56.1	150.7	160.2	-68.7	-105.7	0	0	0	117
1185	T	27.1	Very low	25.5	Very low	125 Å²	125	143.3 Å²	143.3	77%	0.767	77%	0.769	S	S	*	*			cis	-150.1	-171.1	34	-20.2	0	0	0	0	112.3
1186	E	24.6	Very low	25.5	Very low	153 Å²	153	141.4 Å²	141.4	72%	0.715	77%	0.765	S	S	*	*			trans	-80.5	166.5	-173.5	-56.8	152.3	86	0	0	116.3
1187	N	23.4	Very low	25.4	Very low	146 Å²	146	142.5 Å²	142.5	78%	0.781	76%	0.761	S	S	*	*			trans	28.2	110.5	139.6	-62.6	-35.8	0	0	0	120
1188	I	27.2	Very low	25.3	Very low	166 Å²	166	145 Å²	145	85%	0.851	76%	0.764	S	S	*	*			trans	-134.9	129.7	143.2	-69.9	-171.8	0	0	0	109.8
1189	E	22.9	Very low	25.3	Very low	138 Å²	138	145.9 Å²	145.9	65%	0.645	77%	0.765	S	S	*	*			trans	-73	145.4	170.1	-54.7	-175.2	97.4	0	0	112	K1191	E1189-K1191 IonicContact OE1-NZ 2.63Å; E1189-K1191 PolarHBondContact OE1-NZ 2.67Å; E1189-K1191 IonicContact OE2-NZ 2.68Å; E1189-K1191 PolarHBondContact OE2-NZ 3.37Å
1190	M	26.4	Very low	25.3	Very low	168 Å²	168	147.9 Å²	147.9	83%	0.828	76%	0.764	S	S	*	*			trans	-113.6	73.3	161.4	-86.6	-78.8	-84.7	0	0	110.7	L1192	M1190-L1192 PolarHBondContact O-N 3.25Å
1191	K	24.7	Very low	25.4	Very low	141 Å²	141	148.5 Å²	148.5	61%	0.613	76%	0.757	S	S	*	*			trans	-65.3	113.2	163.5	-74.6	-178.6	168.8	73.6	0	109.1	E1189	E1189-K1191 IonicContact OE1-NZ 2.63Å; E1189-K1191 PolarHBondContact OE1-NZ 2.67Å; E1189-K1191 IonicContact OE2-NZ 2.68Å; E1189-K1191 PolarHBondContact OE2-NZ 3.37Å
1192	L	24.7	Very low	25.4	Very low	164 Å²	164	145.9 Å²	145.9	86%	0.859	75%	0.75	S	S	*	*			trans	-103.1	103.9	163.5	-94.3	167	0	0	0	109.3	M1190	M1190-L1192 PolarHBondContact O-N 3.25Å
1193	F	24.9	Very low	25.7	Very low	182 Å²	182	151.1 Å²	151.1	80%	0.798	76%	0.76	S	S	*	*			trans	-115.3	120	-177.8	-135.1	-80.4	0	0	0	109.9
1194	N	29	Very low	26	Very low	157 Å²	157	152.6 Å²	152.6	84%	0.84	76%	0.763	S	S	*	*			trans	169.8	139.5	135.7	-86.6	-9.7	0	0	0	109.3
1195	G	25.4	Very low	26.2	Very low	65 Å²	65	149.9 Å²	149.9	67%	0.67	76%	0.757	S	S	*	*			trans	-112.8	-169.9	175.7	0	0	0	0	0	112.4
1196	N	27.2	Very low	26.3	Very low	136 Å²	136	149.6 Å²	149.6	73%	0.727	76%	0.755	S	S	*	*				-170.4	140.1	121.6	-101.7	31.4	0	0	0	111.3
1197	E	28.4	Very low	26.4	Very low	160 Å²	160	147.4 Å²	147.4	75%	0.748	76%	0.756	S	S	*	*			trans	48.6	117.2	138.9	-62.5	162.5	149.8	0	0	122
1198	E	24.3	Very low	26.5	Very low	172 Å²	172	145.5 Å²	145.5	80%	0.804	76%	0.755	S	S	*	*			trans	42.6	118.3	131.4	-50.3	-170.2	156.4	0	0	121.8
1199	M	28.7	Very low	26.4	Very low	159 Å²	159	146.1 Å²	146.1	78%	0.783	75%	0.754	S	S	*	*				178.2	140.8	94.6	-98.2	-162.4	162.9	0	0	115.9
1200	E	26.7	Very low	26.6	Very low	142 Å²	142	145 Å²	145	66%	0.664	76%	0.761	S	S	*	*			trans	48.9	113.5	142.5	-58.4	-146.7	112.5	0	0	125.2
1201	Q	27	Very low	26.6	Very low	146 Å²	146	144.9 Å²	144.9	68%	0.682	76%	0.762	S	S	*	*				72.2	103.9	120.1	-60.1	-162.5	43.3	0	0	123.7
1202	T	25.4	Very low	26.6	Very low	118 Å²	118	144.7 Å²	144.7	72%	0.724	77%	0.773	S	S	*	*				68.1	124.2	128.5	68.7	0	0	0	0	122.5
1203	K	28.6	Very low	26.7	Very low	210 Å²	210	142.6 Å²	142.6	91%	0.913	77%	0.767	S	S	*	*				-162.6	165	118.8	-113	166	-174	168.3	0	113.1
1204	H	28.3	Very low	26.7	Very low	170 Å²	170	141.8 Å²	141.8	79%	0.787	77%	0.77	S	S	*	*			trans	-105.9	152.2	-163.4	-106	-86.2	0	0	0	114.9
1205	N	26.2	Very low	26.5	Very low	130 Å²	130	142.8 Å²	142.8	70%	0.695	77%	0.774	S	S	*	*			trans	86.1	141.9	140.8	-72	1.1	0	0	0	124
1206	T	29.1	Very low	26.5	Very low	119 Å²	119	147.6 Å²	147.6	73%	0.73	78%	0.784	S	S	*	*			trans	74.9	87.3	145.8	44	0	0	0	0	121.4
1207	S	25	Very low	26.5	Very low	106 Å²	106	145.3 Å²	145.3	74%	0.741	79%	0.785	S	S	*	*				67.2	148	113.8	63.9	0	0	0	0	123.4
1208	S	26.4	Very low	26.5	Very low	107 Å²	107	145.5 Å²	145.5	75%	0.748	79%	0.791	S	S	*	*			trans	90.1	109.6	158.2	77.5	0	0	0	0	120.7
1209	E	25	Very low	26.6	Very low	179 Å²	179	147.8 Å²	147.8	84%	0.836	80%	0.799	S	S	*	*			trans	57.1	106.9	138.6	-59.4	-175.2	159.1	0	0	121.3
1210	S	26.4	Very low	26.5	Very low	113 Å²	113	148.3 Å²	148.3	79%	0.79	80%	0.804	S	S	*	*				157.8	80.6	109.8	-72	0	0	0	0	114
1211	I	26.8	Very low	26.4	Very low	166 Å²	166	151.2 Å²	151.2	85%	0.851	81%	0.814	S	S	*	*			trans	-135.9	98	153.4	-57.7	-177.3	0	0	0	108.7
1212	V	25	Very low	26.4	Very low	138 Å²	138	157.8 Å²	157.8	84%	0.836	84%	0.84	S	S	*	*			trans	-119.8	94.2	168.9	175.4	0	0	0	0	107.9
1213	T	26.3	Very low	26.5	Very low	119 Å²	119	159.8 Å²	159.8	73%	0.73	85%	0.846	S	S	*	*			trans	-175.5	157.2	155	9.4	0	0	0	0	111.3
1214	L	25.2	Very low	26.4	Very low	165 Å²	165	157.1 Å²	157.1	86%	0.864	84%	0.843	S	S	*	*	S	Bend	trans	57.6	69.3	174.3	-81.5	79.2	0	0	0	116.9
1215	L	25.6	Very low	26.3	Very low	179 Å²	179	156.4 Å²	156.4	94%	0.937	85%	0.846	S	S	*	*			trans	-159.1	45.3	142	-118.9	170.3	0	0	0	113.5
1216	N	25.8	Very low	26.3	Very low	165 Å²	165	157.9 Å²	157.9	88%	0.882	86%	0.855	S	S	*	*			trans	-147.1	64	176.5	-158.3	6.8	0	0	0	113.7
1217	A	26.3	Very low	26.1	Very low	89 Å²	89	160.4 Å²	160.4	74%	0.736	86%	0.862	S	S	*	*	S	Bend	trans	-166.8	94	165.8	0	0	0	0	0	110.4
1218	N	28.3	Very low	26.2	Very low	164 Å²	164	164 Å²	164	88%	0.877	87%	0.87	S	S	*	*	S	Bend	trans	-177.1	-16	155.3	-101.1	-20.8	0	0	0	114.6	L1220	N1218-L1220 VanDerWaalsContact C-N 3.28Å; N1218-L1220 PolarHBondContact O-N 2.83Å
1219	F	27.1	Very low	26.2	Very low	220 Å²	220	168.1 Å²	168.1	97%	0.965	88%	0.879	S	S	*	*	S	Bend	trans	-85.3	61.2	176.2	-104.1	-81.8	0	0	0	112.9
1220	L	25.7	Very low	26.2	Very low	170 Å²	170	167.2 Å²	167.2	89%	0.89	88%	0.882	S	S	*	*	S	Bend	trans	-161.3	40.1	166.5	-121	163.9	0	0	0	113.3	N1218	N1218-L1220 VanDerWaalsContact C-N 3.28Å; N1218-L1220 PolarHBondContact O-N 2.83Å
1221	K	25.8	Very low	26.2	Very low	203 Å²	203	171.8 Å²	171.8	88%	0.883	89%	0.89	S	S	*	*			trans	-155.3	48.1	166.2	-144.9	175.6	-173.1	177.7	0	115.7
1222	K	26.8	Very low	26.2	Very low	283 Å²	283	172.3 Å²	172.3	100%	1.23	89%	0.894	S	S	*	*			trans	-150.8	0	154	-149	-175.3	-178.8	-166.8	0	109.3

Retrieved 1,222 of 1,222 residues in 1240.5 ms (Link to these results)

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