A0A077Z0J9_TRITR Loading...

Rho GTPase activating protein 29

AlphaFold DB , UniProt , Accession A0A077Z0J9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 977 aa.

						>A0A077Z0J9_TRITR|A0A077Z0J9
MDSDAEMHSPALSSGADCLKSLINEYAGNSSSAGTSAGDVDSELMDCLVRDVRRLSETLTELSTALDHPTSSTNVDSNDGDGSSQEVDSVWSVNVHQCLCNVLQVLKEAIIRYRFLQSNDIFEYIGALVDVVKGLKFDHDAPENSAALKKAHATLENLQIAVAECVGEYLTWEMTHYESSASKMSWSAEDVSSMSLQNGSMPVAKRREKKELRKQRSVGTESSTRCATSAELLTNSEDRLLNSLDNGVEMALSRARAWSNYCKELLSFIQRRISLESEHARTVQKLNVNASLAISLESYLPLRNIYLSSIKIENDFYDSCVDTMKHLYDYKFIKPLEARKAEADGKRKNLKHTWEKCVKEVETVAMELKKARQNVVLRESSYQKARENVQKSENLKLDSQKIERRRKLQEEAYLRWEQASQEHWLLQQRLEEKYQEMASTKTKILQEVRELIYQCDQTTKACTAAYLQEMANLWTLLPRQYQKLAENVRQYIPGTYYKEYVNKSVMDSSEKNLKSSREQTKASSESELPVIQVNGDPINTRVVTHRSSIPSSTSSATSTCYRREEEEPSTAHTQQGFAFKMSRPKTKVIARPSLLSDAALSHRLQKVRAPTKCCHCDTYTFFQTVGCTECGLNWHKTCLDSVNVHCSLAKQLKLNHRRTCIFGVPLRKHLEDTHLRVPLVLTACVDELERRGLNVKGLYRVCGVKSSIEQICDRFERQEVELSSVLPTNIASIIKLYLRQLPEPLLTHLLYDRFVDVAKRFPSTRRIDEQTACQVIVNDLKRLCDQLPTENYETLKVLCLHLNRVSWFEAENQMSATNLGIVFGPSLLWIEEGLSGATFKSLLDAPLQTRVAELLIKYAYEIFEEDVTQDLERLHVRSRPRPIGGADNGGRRQVRSMDPVTNSVDERNEVNIADKSRKSATPDLLRESKMTGRAKSLQDSLARVIPAEEYSEIADIDGDLEYTLSSSDRSNDGKPFR
					

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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	32.5	Very low	31.5	Very low	222 Å²	222	137.5 Å²	137.5	100%	1.094	78%	0.784	S	S	*	*				0	-159.2	0	-86.3	158.2	160.6	0	0	105.3
2	D	31.5	Very low	31.8	Very low	144 Å²	144	133.7 Å²	133.7	77%	0.77	76%	0.759	S	S	*	*			trans	74.5	132.9	164.3	-35.6	-54.1	0	0	0	113.7
3	S	29.5	Very low	32.1	Very low	116 Å²	116	128.5 Å²	128.5	81%	0.811	74%	0.736	S	S	*	*			trans	-156.2	74.4	-165.6	59.5	0	0	0	0	108.7
4	D	34.6	Very low	32.6	Very low	161 Å²	161	125.4 Å²	125.4	86%	0.861	73%	0.726	S	S	*	*			trans	-79.9	140.1	-177.6	-61.7	-55.7	0	0	0	111.3
5	A	30.5	Very low	32.7	Very low	95 Å²	95	119.2 Å²	119.2	79%	0.785	70%	0.7	S	S	*	*			trans	-113.3	110.3	-176.8	0	0	0	0	0	110.3	M7	A5-M7 PolarHBondContact O-N 3.1Å; A5-M7 VanDerWaalsContact O-N 3.12Å
6	E	33.8	Very low	33.3	Very low	170 Å²	170	113.7 Å²	113.7	79%	0.794	67%	0.672	S	S	*	*			trans	-69	107	177.6	-68.5	-175	118.9	0	0	111.3	H8	E6-H8 PolarHBondContact O-N 3.32Å; E6-H8 VanDerWaalsContact O-N 3.08Å
7	M	28.1	Very low	34	Very low	178 Å²	178	111.8 Å²	111.8	88%	0.877	66%	0.659	S	S	*	*			trans	-84.1	75.3	-178.8	-167.7	-177	70.8	0	0	111.6	A5 S9	A5-M7 PolarHBondContact O-N 3.1Å; A5-M7 VanDerWaalsContact O-N 3.12Å; M7-S9 PolarHBondContact O-N 2.95Å
8	H	31.2	Very low	34.5	Very low	160 Å²	160	108.2 Å²	108.2	74%	0.741	64%	0.639	S	S	*	*			trans	-66.1	121.9	176.7	-75.4	-44.2	0	0	0	113.1	E6 P10	E6-H8 PolarHBondContact O-N 3.32Å; E6-H8 VanDerWaalsContact O-N 3.08Å; H8-P10 WeakPolarHBondContact O-CD 3.18Å
9	S	32.8	Very low	35	Very low	83 Å²	83	104.8 Å²	104.8	58%	0.58	62%	0.618	S	S	*	*			trans	-64.1	123.3	177.1	-63.1	0	0	0	0	113.1	M7 A11	M7-S9 PolarHBondContact O-N 2.95Å; S9-A11 PolarHBondContact O-N 3.04Å
10	P	30.4	Very low	35.7	Very low	113 Å²	113	105.4 Å²	105.4	73%	0.734	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-9.4	-174.9	-26.1	35.5	0	0	0	117.2	H8 S13	H8-P10 WeakPolarHBondContact O-CD 3.18Å; P10-S13 PolarHBondContact O-OG 3.31Å
11	A	31.9	Very low	36.2	Very low	70 Å²	70	103 Å²	103	58%	0.579	60%	0.602	S	S	*	*	H	α-helix	trans	-73.2	-32.5	-174.1	0	0	0	0	0	113.8	S9 S14	S9-A11 PolarHBondContact O-N 3.04Å; A11-S14 WeakPolarHBondContact O-CB 3.41Å
12	L	34.7	Very low	36.6	Very low	92 Å²	92	94.3 Å²	94.3	48%	0.482	56%	0.559	S	S	.	*	H	α-helix	trans	-79.7	-25.4	-170	-72	168.5	0	0	0	114.1	A16	L12-A16 PolarHBondContact O-N 3.17Å
13	S	35.5	Very low	37.2	Very low	66 Å²	66	92.3 Å²	92.3	46%	0.462	55%	0.548	S	S	.	.	H	α-helix	trans	-67	-46.4	170.5	51.8	0	0	0	0	111	P10 G15 A16 D17	P10-S13 PolarHBondContact O-OG 3.31Å; S13-G15 PolarHBondContact O-N 2.97Å; S13-A16 PolarHBondContact O-N 3.23Å; S13-D17 WeakPolarHBondContact O-CB 3.34Å; S13-D17 PolarHBondContact O-N 3.46Å
14	S	39	Very low	37.8	Very low	85 Å²	85	92.5 Å²	92.5	59%	0.594	54%	0.54	S	S	*	.	H	α-helix	trans	-49.7	-51.7	178.5	-177.8	0	0	0	0	112.7	A11 C18	A11-S14 WeakPolarHBondContact O-CB 3.41Å; S14-C18 WeakPolarHBondContact O-CB 3.27Å; S14-C18 PolarHBondContact O-N 3.36Å
15	G	35.2	Very low	38.1	Very low	33 Å²	33	90.4 Å²	90.4	34%	0.34	53%	0.525	S	S	.	.	H	α-helix	trans	-64.2	-47	179.1	0	0	0	0	0	113.2	S13 C18 L19	S13-G15 PolarHBondContact O-N 2.97Å; G15-C18 PolarHBondContact O-N 3.35Å; G15-L19 PolarHBondContact O-N 3.08Å; G15-L19 VanDerWaalsContact O-N 3.11Å
16	A	41.7	Very low	38.4	Very low	31 Å²	31	92.7 Å²	92.7	26%	0.256	51%	0.514	S	S	.	.	H	α-helix	trans	-67.5	-40	-177.6	0	0	0	0	0	112.9	L12 S13 L19 K20	L12-A16 PolarHBondContact O-N 3.17Å; S13-A16 PolarHBondContact O-N 3.23Å; A16-L19 PolarHBondContact O-N 3.25Å; A16-K20 WeakPolarHBondContact O-CG 3.31Å; A16-K20 PolarHBondContact O-N 3.12Å; A16-K20 VanDerWaalsContact O-N 3.13Å
17	D	44.7	Very low	38.4	Very low	82 Å²	82	89 Å²	89	44%	0.439	51%	0.513	S	S	.	.	H	α-helix	trans	-76.4	-27.6	178.1	-67.3	-34.1	0	0	0	112	S13 K20 S21	S13-D17 WeakPolarHBondContact O-CB 3.34Å; S13-D17 PolarHBondContact O-N 3.46Å; D17-K20 PolarHBondContact O-N 2.91Å; D17-K20 WeakPolarHBondContact OD1-CD 3.2Å; D17-K20 WeakPolarHBondContact OD1-CE 3.48Å; D17-K20 IonicContact OD1-NZ 2.96Å; D17-K20 PolarHBondContact OD1-NZ 3.27Å; D17-S21 WeakPolarHBondContact O-CB 3.42Å; D17-S21 PolarHBondContact O-N 2.78Å
18	C	44.1	Very low	38.5	Very low	46 Å²	46	83.1 Å²	83.1	31%	0.311	50%	0.498	S	S	.	.	H	α-helix	trans	-67.2	-35.6	169.8	-161.9	0	0	0	0	112.4	S14 G15 S21 L22 K107	S14-C18 WeakPolarHBondContact O-CB 3.27Å; S14-C18 PolarHBondContact O-N 3.36Å; G15-C18 PolarHBondContact O-N 3.35Å; C18-S21 WeakPolarHBondContact O-CB 3.31Å; C18-S21 PolarHBondContact O-N 2.63Å; C18-L22 PolarHBondContact O-N 2.83Å; C18-K107 PolarHBondContact SG-NZ 3.34Å
19	L	43.2	Very low	38.3	Very low	45 Å²	45	81.7 Å²	81.7	24%	0.236	50%	0.496	C	S	.	.	H	α-helix	trans	-67	-43.6	173.2	-121.9	164.1	0	0	0	111.7	G15 A16 S21 L22 I23 L103 I125	G15-L19 PolarHBondContact O-N 3.08Å; G15-L19 VanDerWaalsContact O-N 3.11Å; A16-L19 PolarHBondContact O-N 3.25Å; L19-S21 VanDerWaalsContact C-N 3.27Å; L19-S21 PolarHBondContact O-N 3.43Å; L19-L22 PolarHBondContact O-N 3.4Å; L19-I23 HydrophobicContact CD2-CD1 4.26Å; L19-I23 WeakPolarHBondContact O-CG1 3.35Å; L19-I23 PolarHBondContact O-N 3.28Å; L19-I23 VanDerWaalsContact O-N 3.09Å; L19-L103 HydrophobicContact CD1-CD2 4Å; L19-I125 HydrophobicContact CD1-CG2 3.84Å
20	K	49	Very low	38.1	Very low	115 Å²	115	83.7 Å²	83.7	50%	0.5	51%	0.51	S	S	.	.	H	α-helix	trans	-59.8	-36.3	170.1	-65.4	171.9	-160.6	159.3	0	112.2	A16 D17 I23 N24	A16-K20 WeakPolarHBondContact O-CG 3.31Å; A16-K20 PolarHBondContact O-N 3.12Å; A16-K20 VanDerWaalsContact O-N 3.13Å; D17-K20 PolarHBondContact O-N 2.91Å; D17-K20 WeakPolarHBondContact OD1-CD 3.2Å; D17-K20 WeakPolarHBondContact OD1-CE 3.48Å; D17-K20 IonicContact OD1-NZ 2.96Å; D17-K20 PolarHBondContact OD1-NZ 3.27Å; K20-I23 PolarHBondContact O-N 3.07Å; K20-N24 WeakPolarHBondContact O-CB 3.16Å; K20-N24 PolarHBondContact O-N 2.92Å; K20-N24 PolarHBondContact O-ND2 2.97Å
21	S	46.7	Very low	38.1	Very low	57 Å²	57	82 Å²	82	40%	0.399	50%	0.501	S	S	.	.	H	α-helix	trans	-62.2	-47.7	175.5	-167	0	0	0	0	111.3	D17 C18 L19 I23 N24 E25	D17-S21 WeakPolarHBondContact O-CB 3.42Å; D17-S21 PolarHBondContact O-N 2.78Å; C18-S21 WeakPolarHBondContact O-CB 3.31Å; C18-S21 PolarHBondContact O-N 2.63Å; L19-S21 VanDerWaalsContact C-N 3.27Å; L19-S21 PolarHBondContact O-N 3.43Å; S21-I23 VanDerWaalsContact C-N 3.34Å; S21-I23 PolarHBondContact O-N 3.4Å; S21-N24 PolarHBondContact O-N 2.84Å; S21-E25 PolarHBondContact O-N 3.04Å
22	L	40.7	Very low	37.9	Very low	38 Å²	38	84.6 Å²	84.6	20%	0.199	52%	0.515	C	S	.	.	H	α-helix	trans	-57.1	-47.4	175.5	-114.1	79	0	0	0	111.5	C18 L19 N24 E25 Y26 K107	C18-L22 PolarHBondContact O-N 2.83Å; L19-L22 PolarHBondContact O-N 3.4Å; L22-N24 VanDerWaalsContact C-N 3.34Å; L22-N24 PolarHBondContact O-N 3.22Å; L22-E25 PolarHBondContact O-N 3.32Å; L22-Y26 WeakPolarHBondContact O-CB 2.98Å; L22-Y26 PolarHBondContact O-N 3.5Å; L22-K107 HydrophobicContact CD1-CD 4.33Å; L22-K107 HydrophobicContact CD1-CG 4.44Å; L22-K107 HydrophobicContact CD2-CG 4.44Å
23	I	43.7	Very low	37.8	Very low	102 Å²	102	84.8 Å²	84.8	52%	0.523	53%	0.529	S	S	.	.	H	α-helix	trans	-61.8	-40.8	179.5	-66.8	164.5	0	0	0	111.3	L19 K20 S21 Y26 A27	L19-I23 HydrophobicContact CD2-CD1 4.26Å; L19-I23 WeakPolarHBondContact O-CG1 3.35Å; L19-I23 PolarHBondContact O-N 3.28Å; L19-I23 VanDerWaalsContact O-N 3.09Å; K20-I23 PolarHBondContact O-N 3.07Å; S21-I23 VanDerWaalsContact C-N 3.34Å; S21-I23 PolarHBondContact O-N 3.4Å; I23-Y26 WeakPolarHBondContact O-CB 3.44Å; I23-Y26 PolarHBondContact O-N 3.44Å; I23-A27 PolarHBondContact O-N 3.25Å
24	N	42.1	Very low	37.4	Very low	120 Å²	120	85.3 Å²	85.3	64%	0.642	55%	0.545	S	S	*	.	H	α-helix	trans	-72.3	-36.8	177.9	-76.8	-27.2	0	0	0	113.2	K20 S21 L22 Y26 A27	K20-N24 WeakPolarHBondContact O-CB 3.16Å; K20-N24 PolarHBondContact O-N 2.92Å; K20-N24 PolarHBondContact O-ND2 2.97Å; S21-N24 PolarHBondContact O-N 2.84Å; L22-N24 VanDerWaalsContact C-N 3.34Å; L22-N24 PolarHBondContact O-N 3.22Å; N24-Y26 VanDerWaalsContact C-N 3.3Å; N24-A27 PolarHBondContact O-N 3.12Å
25	E	40.2	Very low	37	Very low	118 Å²	118	88.3 Å²	88.3	55%	0.551	56%	0.56	S	S	*	*	H	α-helix	trans	-65.9	-34.6	173	-74.3	-169.8	106.7	0	0	111.9	S21 L22 A27 G28 N29	S21-E25 PolarHBondContact O-N 3.04Å; L22-E25 PolarHBondContact O-N 3.32Å; E25-A27 PolarHBondContact O-N 3.19Å; E25-G28 PolarHBondContact O-N 3.21Å; E25-N29 PolarHBondContact O-N 3.03Å
26	Y	37.1	Very low	36.6	Very low	142 Å²	142	91.8 Å²	91.8	56%	0.557	58%	0.58	S	S	*	*	H	α-helix	trans	-62.9	-30.1	177.4	-146	-109.2	0	0	0	112.9	L22 I23 N24 G28 Q117	L22-Y26 WeakPolarHBondContact O-CB 2.98Å; L22-Y26 PolarHBondContact O-N 3.5Å; I23-Y26 WeakPolarHBondContact O-CB 3.44Å; I23-Y26 PolarHBondContact O-N 3.44Å; N24-Y26 VanDerWaalsContact C-N 3.3Å; Y26-G28 PolarHBondContact O-N 3.36Å; Y26-Q117 HydrophobicContact CE2-CB 4.49Å; Y26-Q117 HydrophobicContact CE2-CG 4.42Å; Y26-Q117 WeakPolarHBondContact OH-CB 3.4Å; Y26-Q117 PolarHBondContact OH-OE1 3.47Å
27	A	33.6	Very low	36	Very low	93 Å²	93	94.2 Å²	94.2	77%	0.769	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-12.3	173.1	0	0	0	0	0	114	I23 N24 E25	I23-A27 PolarHBondContact O-N 3.25Å; N24-A27 PolarHBondContact O-N 3.12Å; E25-A27 PolarHBondContact O-N 3.19Å
28	G	31.8	Very low	35.3	Very low	55 Å²	55	93.2 Å²	93.2	57%	0.567	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	-39.2	-171.2	0	0	0	0	0	116.7	E25 Y26	E25-G28 PolarHBondContact O-N 3.21Å; Y26-G28 PolarHBondContact O-N 3.36Å
29	N	27	Very low	34.6	Very low	129 Å²	129	98.8 Å²	98.8	69%	0.69	64%	0.635	S	S	*	*			trans	-121.6	68	-159.3	-84.6	-32.8	0	0	0	115.8	E25 S31	E25-N29 PolarHBondContact O-N 3.03Å; N29-S31 PolarHBondContact O-N 3.15Å
30	S	27.6	Very low	34.1	Very low	125 Å²	125	100.7 Å²	100.7	87%	0.874	65%	0.649	S	S	*	*			trans	-91	85.8	169.4	51.2	0	0	0	0	112.7
31	S	30.2	Very low	34.2	Very low	79 Å²	79	98.1 Å²	98.1	55%	0.552	64%	0.64	S	S	*	*			trans	-143.8	134.7	167.4	64.6	0	0	0	0	113.8	N29	N29-S31 PolarHBondContact O-N 3.15Å
32	S	28.8	Very low	34.1	Very low	124 Å²	124	99.7 Å²	99.7	87%	0.867	65%	0.651	S	S	*	*			trans	-71.8	139.3	-172.9	54.8	0	0	0	0	114.7
33	A	31.7	Very low	34.9	Very low	95 Å²	95	104.7 Å²	104.7	79%	0.785	67%	0.673	S	S	*	*			trans	-127.6	133.6	151.9	0	0	0	0	0	107.5
34	G	27.1	Very low	36	Very low	78 Å²	78	102.8 Å²	102.8	80%	0.804	66%	0.664	S	S	*	*			trans	-123.6	140.4	175.5	0	0	0	0	0	109.8
35	T	29.8	Very low	37.1	Very low	147 Å²	147	99.8 Å²	99.8	90%	0.902	65%	0.647	S	S	*	*			trans	-109.1	152.8	178.2	39	0	0	0	0	110.3	A37	T35-A37 PolarHBondContact O-N 2.97Å
36	S	28.7	Very low	38.3	Very low	107 Å²	107	99 Å²	99	75%	0.748	65%	0.646	S	S	*	*			trans	-77.1	119.3	-176.7	47.7	0	0	0	0	112
37	A	28.6	Very low	40.3	Very low	81 Å²	81	93.4 Å²	93.4	67%	0.669	63%	0.628	S	S	*	*			trans	-67.7	153.5	169.9	0	0	0	0	0	111.7	T35	T35-A37 PolarHBondContact O-N 2.97Å
38	G	28.8	Very low	42.4	Very low	61 Å²	61	89.2 Å²	89.2	63%	0.629	59%	0.592	S	S	*	*	S	Bend	trans	160.2	-83.7	-174.2	0	0	0	0	0	112	D41	G38-D41 PolarHBondContact N-OD2 3.12Å
39	D	29.6	Very low	44.4	Very low	164 Å²	164	88.4 Å²	88.4	88%	0.877	58%	0.576	S	S	*	*	S	Bend	trans	-105.4	-14	180	-71.6	-58.2	0	0	0	114.1
40	V	34.3	Very low	46.8	Very low	85 Å²	85	88.7 Å²	88.7	52%	0.515	57%	0.568	S	S	.	*	S	Bend	trans	-79.9	-24	-168.6	-163.4	0	0	0	0	112.7	S42 E43 L44	V40-S42 PolarHBondContact O-N 3.03Å; V40-E43 PolarHBondContact O-N 3.23Å; V40-L44 PolarHBondContact O-N 3.07Å
41	D	50.2	Low	49.5	Very low	61 Å²	61	83.6 Å²	83.6	33%	0.326	53%	0.531	S	S	.	.	H	α-helix	trans	-71	-29.6	-161	-52.4	-53.6	0	0	0	112.5	G38 M45	G38-D41 PolarHBondContact N-OD2 3.12Å; D41-M45 WeakPolarHBondContact O-CB 3.47Å; D41-M45 PolarHBondContact O-N 3.4Å
42	S	44.5	Very low	51.9	Low	90 Å²	90	80 Å²	80	63%	0.629	51%	0.506	S	S	*	.	H	α-helix	trans	-72	-37.3	175.1	-167.7	0	0	0	0	113.2	V40 M45 D46	V40-S42 PolarHBondContact O-N 3.03Å; S42-M45 PolarHBondContact O-N 3.39Å; S42-D46 PolarHBondContact O-N 2.62Å
43	E	57.5	Low	54.3	Low	142 Å²	142	77.9 Å²	77.9	66%	0.664	48%	0.479	S	S	*	.	H	α-helix	trans	-73.8	-35.2	177.1	-173.9	172.2	-151.6	0	0	110.8	V40 M45 D46 C47	V40-E43 PolarHBondContact O-N 3.23Å; E43-M45 VanDerWaalsContact C-N 3.35Å; E43-D46 PolarHBondContact O-N 2.91Å; E43-C47 WeakPolarHBondContact O-CB 3.45Å; E43-C47 PolarHBondContact O-N 2.74Å; E43-C47 PolarHBondContact O-SG 3.01Å
44	L	66.3	Low	56.9	Low	63 Å²	63	77.9 Å²	77.9	33%	0.33	46%	0.458	S	S	.	.	H	α-helix	trans	-60.3	-44.3	171.3	-176.4	65	0	0	0	111.4	V40 C47 L48 Y113	V40-L44 PolarHBondContact O-N 3.07Å; L44-C47 PolarHBondContact O-N 2.88Å; L44-L48 WeakPolarHBondContact O-CB 3.15Å; L44-L48 PolarHBondContact O-N 2.94Å; L44-Y113 HydrophobicContact CD1-CE1 3.98Å
45	M	65.3	Low	59.7	Low	56 Å²	56	74.2 Å²	74.2	28%	0.276	42%	0.42	S	S	.	.	H	α-helix	trans	-65.5	-44.4	176.3	-91.7	-70.9	-77.8	0	0	113.4	D41 S42 E43 C47 L48 V49 L170	D41-M45 WeakPolarHBondContact O-CB 3.47Å; D41-M45 PolarHBondContact O-N 3.4Å; S42-M45 PolarHBondContact O-N 3.39Å; E43-M45 VanDerWaalsContact C-N 3.35Å; M45-C47 PolarHBondContact O-N 3.47Å; M45-L48 PolarHBondContact O-N 2.7Å; M45-L48 VanDerWaalsContact O-N 3.15Å; M45-L48 HydrophobicContact SD-CD2 4.18Å; M45-V49 WeakPolarHBondContact O-CG2 3.31Å; M45-V49 PolarHBondContact O-N 3.21Å; M45-L170 HydrophobicContact CE-CD2 3.36Å; M45-L170 HydrophobicContact SD-CD2 3.42Å; M45-L170 WeakPolarHBondContact SD-CD2 3.28Å
46	D	65.8	Low	62.2	Low	102 Å²	102	68.5 Å²	68.5	55%	0.545	39%	0.386	S	S	.	.	H	α-helix	trans	-63.7	-30.4	174	-95.3	-11.6	0	0	0	112.3	S42 E43 R50	S42-D46 PolarHBondContact O-N 2.62Å; E43-D46 PolarHBondContact O-N 2.91Å; D46-R50 VanDerWaalsContact O-CB 3.29Å; D46-R50 WeakPolarHBondContact O-CB 3.42Å; D46-R50 PolarHBondContact O-N 3.06Å; D46-R50 PolarHBondContact O-NH2 2.73Å; D46-R50 VanDerWaalsContact O-NH2 3.12Å
47	C	78	Confident	64.9	Low	25 Å²	25	68.7 Å²	68.7	17%	0.169	38%	0.375	C	S	.	.	H	α-helix	trans	-72.4	-42.2	170.6	-67.4	0	0	0	0	111.9	E43 L44 M45 R50 D51 Y113	E43-C47 WeakPolarHBondContact O-CB 3.45Å; E43-C47 PolarHBondContact O-N 2.74Å; E43-C47 PolarHBondContact O-SG 3.01Å; L44-C47 PolarHBondContact O-N 2.88Å; M45-C47 PolarHBondContact O-N 3.47Å; C47-R50 WeakPolarHBondContact O-CB 3.38Å; C47-R50 PolarHBondContact O-N 3.39Å; C47-R50 PolarHBondContact SG-NH1 3.46Å; C47-D51 PolarHBondContact O-N 3.48Å; C47-Y113 WeakPolarHBondContact CB-OH 3.21Å; C47-Y113 PolarHBondContact O-OH 3.19Å
48	L	79.2	Confident	67.8	Low	4 Å²	4	65.4 Å²	65.4	2%	0.021	35%	0.347	C	S	.	.	H	α-helix	trans	-60.2	-52.6	178.8	177.4	62.5	0	0	0	110.9	L44 M45 R50 D51 V52 Y113 F115 Y169	L44-L48 WeakPolarHBondContact O-CB 3.15Å; L44-L48 PolarHBondContact O-N 2.94Å; M45-L48 PolarHBondContact O-N 2.7Å; M45-L48 VanDerWaalsContact O-N 3.15Å; M45-L48 HydrophobicContact SD-CD2 4.18Å; L48-R50 PolarHBondContact O-N 3.12Å; L48-D51 PolarHBondContact O-N 3.01Å; L48-V52 HydrophobicContact CD1-CG2 3.57Å; L48-V52 HydrophobicContact CG-CG2 4.13Å; L48-V52 VanDerWaalsContact O-CB 3.23Å; L48-V52 WeakPolarHBondContact O-CB 3.25Å; L48-V52 WeakPolarHBondContact O-CG2 3.42Å; L48-V52 PolarHBondContact O-N 2.87Å; L48-Y113 WeakPolarHBondContact CA-OH 3.32Å; L48-Y113 HydrophobicContact CB-CE1 3.88Å; L48-Y113 HydrophobicContact CD1-CD1 3.83Å; L48-Y113 HydrophobicContact CD1-CD2 3.91Å; L48-Y113 HydrophobicContact CD1-CE1 3.9Å; L48-Y113 HydrophobicContact CD1-CE2 3.99Å; L48-Y113 HydrophobicContact CD1-CG 3.85Å; L48-Y113 HydrophobicContact CG-CE1 4.46Å; L48-Y113 PolarHBondContact N-OH 2.83Å; L48-Y113 VanDerWaalsContact N-OH 3.14Å; L48-F115 HydrophobicContact CD1-CE1 4.38Å; L48-F115 HydrophobicContact CD1-CZ 3.7Å; L48-F115 HydrophobicContact CD2-CE1 4.34Å; L48-F115 HydrophobicContact CD2-CZ 3.85Å; L48-F115 HydrophobicContact CG-CZ 4.45Å; L48-Y169 HydrophobicContact CD2-CD1 4.01Å; L48-Y169 HydrophobicContact CD2-CE1 4.24Å
49	V	72.8	Confident	70.6	Confident	38 Å²	38	62.5 Å²	62.5	23%	0.23	32%	0.317	C	S	.	.	H	α-helix	trans	-58.5	-33.2	178.4	174.5	0	0	0	0	111.7	M45 R53 L843	M45-V49 WeakPolarHBondContact O-CG2 3.31Å; M45-V49 PolarHBondContact O-N 3.21Å; V49-R53 WeakPolarHBondContact O-CB 3.46Å; V49-R53 VanDerWaalsContact O-CG 3.28Å; V49-R53 WeakPolarHBondContact O-CG 2.88Å; V49-R53 PolarHBondContact O-N 2.87Å; V49-R53 VanDerWaalsContact O-N 3.11Å; V49-L843 HydrophobicContact CG1-CD2 4.33Å
50	R	78.7	Confident	73.2	Confident	136 Å²	136	58.1 Å²	58.1	51%	0.513	30%	0.296	S	S	.	.	H	α-helix	trans	-73.7	-46.8	178.4	-168.3	-170.5	-47	124.5	10.1	112.7	D46 C47 L48 R53 R54	D46-R50 VanDerWaalsContact O-CB 3.29Å; D46-R50 WeakPolarHBondContact O-CB 3.42Å; D46-R50 PolarHBondContact O-N 3.06Å; D46-R50 PolarHBondContact O-NH2 2.73Å; D46-R50 VanDerWaalsContact O-NH2 3.12Å; C47-R50 WeakPolarHBondContact O-CB 3.38Å; C47-R50 PolarHBondContact O-N 3.39Å; C47-R50 PolarHBondContact SG-NH1 3.46Å; L48-R50 PolarHBondContact O-N 3.12Å; R50-R53 PolarHBondContact O-N 3.41Å; R50-R54 PolarHBondContact O-N 3.03Å
51	D	83.2	Confident	75.7	Confident	17 Å²	17	58 Å²	58	9%	0.091	29%	0.29	C	S	.	.	H	α-helix	trans	-69	-36.9	178.9	-66.4	-36.8	0	0	0	111.4	C47 L48 R54 L55 R112 Y113	C47-D51 PolarHBondContact O-N 3.48Å; L48-D51 PolarHBondContact O-N 3.01Å; D51-R54 PolarHBondContact O-N 2.9Å; D51-L55 WeakPolarHBondContact O-CB 3.45Å; D51-L55 PolarHBondContact O-N 3.26Å; D51-R112 VanDerWaalsContact CG-NH1 3.27Å; D51-R112 IonicContact OD1-NH1 3.37Å; D51-R112 PolarHBondContact OD1-NH1 3.4Å; D51-R112 VanDerWaalsContact OD1-NH1 3.12Å; D51-R112 WeakPolarHBondContact OD2-CD 3.26Å; D51-R112 IonicContact OD2-CZ 3.4Å; D51-R112 IonicContact OD2-NE 3.15Å; D51-R112 IonicContact OD2-NH1 2.7Å; D51-R112 PolarHBondContact OD2-NH1 3.45Å; D51-Y113 HydrophobicContact CB-CE2 3.89Å; D51-Y113 WeakPolarHBondContact OD2-CE2 3.49Å; D51-Y113 PolarHBondContact OD2-OH 2.95Å
52	V	81.7	Confident	77.6	Confident	5 Å²	5	55 Å²	55	3%	0.03	27%	0.274	C	S	.	.	H	α-helix	trans	-68.2	-34.6	176	176.5	0	0	0	0	111.1	L48 L55 S56 V166 F839 L843	L48-V52 HydrophobicContact CD1-CG2 3.57Å; L48-V52 HydrophobicContact CG-CG2 4.13Å; L48-V52 VanDerWaalsContact O-CB 3.23Å; L48-V52 WeakPolarHBondContact O-CB 3.25Å; L48-V52 WeakPolarHBondContact O-CG2 3.42Å; L48-V52 PolarHBondContact O-N 2.87Å; V52-L55 PolarHBondContact O-N 2.88Å; V52-S56 PolarHBondContact O-N 3.22Å; V52-V166 HydrophobicContact CG1-CG2 4.39Å; V52-V166 HydrophobicContact CG2-CG2 4.01Å; V52-F839 HydrophobicContact CB-CZ 4.45Å; V52-F839 HydrophobicContact CG1-CD2 4.39Å; V52-F839 HydrophobicContact CG1-CE1 4.33Å; V52-F839 HydrophobicContact CG1-CE2 3.32Å; V52-F839 HydrophobicContact CG1-CZ 3.29Å; V52-F839 WeakPolarHBondContact O-CZ 3.36Å; V52-L843 HydrophobicContact CB-CD2 4.12Å; V52-L843 HydrophobicContact CG1-CD1 4.22Å; V52-L843 HydrophobicContact CG1-CD2 3.67Å; V52-L843 HydrophobicContact CG1-CG 4.18Å
53	R	78.8	Confident	79.7	Confident	79 Å²	79	52.1 Å²	52.1	30%	0.298	25%	0.254	S	S	.	.	H	α-helix	trans	-64.7	-47.2	168.5	-80.9	173.4	-177.3	173.2	4.8	112.8	V49 R50 L55 S56 E57 L843	V49-R53 WeakPolarHBondContact O-CB 3.46Å; V49-R53 VanDerWaalsContact O-CG 3.28Å; V49-R53 WeakPolarHBondContact O-CG 2.88Å; V49-R53 PolarHBondContact O-N 2.87Å; V49-R53 VanDerWaalsContact O-N 3.11Å; R50-R53 PolarHBondContact O-N 3.41Å; R53-L55 PolarHBondContact O-N 2.95Å; R53-S56 CarbonylContact O-C 3.55Å; R53-S56 WeakPolarHBondContact O-CA 3.48Å; R53-S56 WeakPolarHBondContact O-CB 3.28Å; R53-S56 PolarHBondContact O-N 2.75Å; R53-E57 WeakPolarHBondContact O-CG 3.48Å; R53-E57 PolarHBondContact O-N 3.17Å; R53-L843 HydrophobicContact CG-CD1 3.85Å; R53-L843 HydrophobicContact CG-CD2 3.83Å; R53-L843 HydrophobicContact CG-CG 4.29Å; R53-L843 PolarHBondContact NH2-O 3.31Å
54	R	85.1	Confident	81	Confident	94 Å²	94	49 Å²	49	36%	0.355	24%	0.244	S	C	.	.	H	α-helix	trans	-59.1	-32.7	175.9	-176.6	176.6	167	-132.7	-3.3	112.7	R50 D51 E57 T58 V105 E108	R50-R54 PolarHBondContact O-N 3.03Å; D51-R54 PolarHBondContact O-N 2.9Å; R54-E57 WeakPolarHBondContact CA-OE2 3.43Å; R54-T58 PolarHBondContact O-N 3.22Å; R54-T58 VanDerWaalsContact O-N 3.15Å; R54-T58 PolarHBondContact O-OG1 3.1Å; R54-V105 HydrophobicContact CB-CG1 4.5Å; R54-V105 HydrophobicContact CG-CG1 4.12Å; R54-V105 HydrophobicContact CG-CG2 4.2Å; R54-E108 IonicContact CZ-OE2 2.88Å; R54-E108 IonicContact NH1-OE2 3.36Å; R54-E108 PolarHBondContact NH1-OE2 2.94Å; R54-E108 IonicContact NH2-OE1 2.67Å; R54-E108 IonicContact NH2-OE2 3.94Å; R54-E108 PolarHBondContact NH2-OE2 2.65Å; R54-E108 VanDerWaalsContact NH2-OE2 3.12Å
55	L	86.8	Confident	82	Confident	2 Å²	2	46 Å²	46	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-70.5	-39.6	171.2	-177.1	58.1	0	0	0	112	D51 V52 R53 E57 T58 L59 V105 L106 V162	D51-L55 WeakPolarHBondContact O-CB 3.45Å; D51-L55 PolarHBondContact O-N 3.26Å; V52-L55 PolarHBondContact O-N 2.88Å; R53-L55 PolarHBondContact O-N 2.95Å; L55-E57 VanDerWaalsContact C-N 3.33Å; L55-E57 PolarHBondContact O-N 3.25Å; L55-T58 PolarHBondContact O-OG1 3.11Å; L55-L59 HydrophobicContact CD1-CD1 3.95Å; L55-L59 HydrophobicContact CD1-CG 4.18Å; L55-L59 HydrophobicContact CG-CD1 3.89Å; L55-L59 WeakPolarHBondContact O-CB 3.47Å; L55-L59 WeakPolarHBondContact O-CD1 3.2Å; L55-L59 VanDerWaalsContact O-CG 3.22Å; L55-L59 WeakPolarHBondContact O-CG 3.24Å; L55-L59 PolarHBondContact O-N 2.89Å; L55-V105 HydrophobicContact CB-CG1 3.98Å; L55-V105 HydrophobicContact CD1-CG1 4.23Å; L55-L106 HydrophobicContact CD1-CB 4.06Å; L55-L106 HydrophobicContact CD1-CD1 4.41Å; L55-L106 HydrophobicContact CD2-CD1 3.88Å; L55-V162 HydrophobicContact CD2-CG1 3.84Å; L55-V162 HydrophobicContact CD2-CG2 4.3Å
56	S	81.7	Confident	82.9	Confident	26 Å²	26	43.6 Å²	43.6	18%	0.182	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-42.1	172.7	-159.9	0	0	0	0	112.4	V52 R53 T60	V52-S56 PolarHBondContact O-N 3.22Å; R53-S56 CarbonylContact O-C 3.55Å; R53-S56 WeakPolarHBondContact O-CA 3.48Å; R53-S56 WeakPolarHBondContact O-CB 3.28Å; R53-S56 PolarHBondContact O-N 2.75Å; S56-T60 WeakPolarHBondContact O-CB 3.45Å; S56-T60 PolarHBondContact O-N 3.06Å; S56-T60 PolarHBondContact O-OG1 3.35Å
57	E	85.3	Confident	83.4	Confident	112 Å²	112	43 Å²	43	52%	0.523	21%	0.214	S	C	.	.	H	α-helix	trans	-63.5	-54.3	179.7	-70.9	156	-173.4	0	0	110.3	R53 R54 L55 L59 T60 E61	R53-E57 WeakPolarHBondContact O-CG 3.48Å; R53-E57 PolarHBondContact O-N 3.17Å; R54-E57 WeakPolarHBondContact CA-OE2 3.43Å; L55-E57 VanDerWaalsContact C-N 3.33Å; L55-E57 PolarHBondContact O-N 3.25Å; E57-L59 PolarHBondContact O-N 3.05Å; E57-T60 WeakPolarHBondContact O-CA 3.49Å; E57-T60 WeakPolarHBondContact O-CB 3.48Å; E57-T60 PolarHBondContact O-N 2.81Å; E57-E61 WeakPolarHBondContact O-CG 3.34Å; E57-E61 PolarHBondContact O-N 2.8Å
58	T	89.4	Confident	82.7	Confident	11 Å²	11	47 Å²	47	7%	0.067	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-32.6	178.7	49.5	0	0	0	0	114.2	R54 L55 T60 L62 N101 V102 V105	R54-T58 PolarHBondContact O-N 3.22Å; R54-T58 VanDerWaalsContact O-N 3.15Å; R54-T58 PolarHBondContact O-OG1 3.1Å; L55-T58 PolarHBondContact O-OG1 3.11Å; T58-T60 VanDerWaalsContact C-N 3.34Å; T58-L62 PolarHBondContact O-N 2.88Å; T58-L62 VanDerWaalsContact O-N 3.1Å; T58-N101 HydrophobicContact CG2-CB 4Å; T58-V102 VanDerWaalsContact O-CG2 3.23Å; T58-V102 WeakPolarHBondContact O-CG2 3.39Å; T58-V105 HydrophobicContact CG2-CG2 4.05Å
59	L	88.1	Confident	81.6	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-69.1	-32.7	171.6	-71.8	166.7	0	0	0	112.1	L55 E57 S63 V102 L155 L158 Q159	L55-L59 HydrophobicContact CD1-CD1 3.95Å; L55-L59 HydrophobicContact CD1-CG 4.18Å; L55-L59 HydrophobicContact CG-CD1 3.89Å; L55-L59 WeakPolarHBondContact O-CB 3.47Å; L55-L59 WeakPolarHBondContact O-CD1 3.2Å; L55-L59 VanDerWaalsContact O-CG 3.22Å; L55-L59 WeakPolarHBondContact O-CG 3.24Å; L55-L59 PolarHBondContact O-N 2.89Å; E57-L59 PolarHBondContact O-N 3.05Å; L59-S63 PolarHBondContact O-N 2.84Å; L59-V102 HydrophobicContact CD2-CG1 3.62Å; L59-V102 HydrophobicContact CD2-CG2 4Å; L59-V102 HydrophobicContact CG-CG1 4.37Å; L59-V102 HydrophobicContact CG-CG2 4.33Å; L59-L155 HydrophobicContact CB-CD2 4.42Å; L59-L155 HydrophobicContact CD2-CG 4.24Å; L59-L158 HydrophobicContact CD2-CD2 3.94Å; L59-Q159 HydrophobicContact CB-CG 4.46Å; L59-Q159 HydrophobicContact CD1-CG 3.81Å
60	T	84.6	Confident	80.1	Confident	73 Å²	73	51.6 Å²	51.6	45%	0.448	26%	0.26	S	S	.	.	H	α-helix	trans	-70.7	-44.8	174.5	-52.9	0	0	0	0	110.9	S56 E57 T58 L62 S63 T64	S56-T60 WeakPolarHBondContact O-CB 3.45Å; S56-T60 PolarHBondContact O-N 3.06Å; S56-T60 PolarHBondContact O-OG1 3.35Å; E57-T60 WeakPolarHBondContact O-CA 3.49Å; E57-T60 WeakPolarHBondContact O-CB 3.48Å; E57-T60 PolarHBondContact O-N 2.81Å; T58-T60 VanDerWaalsContact C-N 3.34Å; T60-L62 VanDerWaalsContact C-N 3.31Å; T60-L62 PolarHBondContact O-N 2.83Å; T60-S63 PolarHBondContact O-N 2.9Å; T60-S63 VanDerWaalsContact O-N 3.13Å; T60-T64 PolarHBondContact O-N 3.28Å; T60-T64 PolarHBondContact O-OG1 3.25Å
61	E	87.7	Confident	77.8	Confident	81 Å²	81	50.2 Å²	50.2	38%	0.379	27%	0.271	S	S	.	.	H	α-helix	trans	-51.7	-49.3	172.7	-70.9	172	-177.8	0	0	111.1	E57 S63 T64 A65	E57-E61 WeakPolarHBondContact O-CG 3.34Å; E57-E61 PolarHBondContact O-N 2.8Å; E61-S63 PolarHBondContact O-N 3.33Å; E61-T64 PolarHBondContact O-N 3.1Å; E61-T64 VanDerWaalsContact O-N 3.17Å; E61-T64 PolarHBondContact O-OG1 3.12Å; E61-A65 PolarHBondContact O-N 3.06Å
62	L	89.9	Confident	75.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.2	-37.6	178.9	-179.2	58.2	0	0	0	112.9	T58 T60 A65 L66 V95 C98 L99 V102 L128 L155	T58-L62 PolarHBondContact O-N 2.88Å; T58-L62 VanDerWaalsContact O-N 3.1Å; T60-L62 VanDerWaalsContact C-N 3.31Å; T60-L62 PolarHBondContact O-N 2.83Å; L62-A65 PolarHBondContact O-N 2.98Å; L62-L66 HydrophobicContact CD1-CD1 4.43Å; L62-L66 HydrophobicContact CD1-CG 4.45Å; L62-L66 HydrophobicContact CG-CD1 4.29Å; L62-L66 WeakPolarHBondContact O-CD1 3.45Å; L62-L66 VanDerWaalsContact O-CG 3.28Å; L62-L66 WeakPolarHBondContact O-CG 3.38Å; L62-L66 PolarHBondContact O-N 3.41Å; L62-L66 VanDerWaalsContact O-N 3.15Å; L62-V95 HydrophobicContact CD1-CG1 4.45Å; L62-C98 HydrophobicContact CB-CB 3.98Å; L62-C98 HydrophobicContact CD1-CB 3.79Å; L62-C98 HydrophobicContact CG-CB 4.47Å; L62-L99 HydrophobicContact CD1-CB 4.36Å; L62-L99 HydrophobicContact CD2-CD1 4.18Å; L62-V102 HydrophobicContact CB-CG2 4.15Å; L62-V102 HydrophobicContact CD2-CG2 4.04Å; L62-L128 HydrophobicContact CD2-CD1 4.46Å; L62-L128 HydrophobicContact CD2-CD2 3.86Å; L62-L128 HydrophobicContact CD2-CG 4.45Å; L62-L155 HydrophobicContact CB-CD1 4.1Å; L62-L155 HydrophobicContact CD2-CD1 4.04Å; L62-L155 HydrophobicContact CG-CD1 3.91Å
63	S	87.4	Confident	73	Confident	29 Å²	29	59.3 Å²	59.3	20%	0.203	33%	0.332	C	S	.	.	H	α-helix	trans	-61.6	-49.7	171.7	-164.5	0	0	0	0	110.7	L59 T60 E61 A65 L66 D67 H152	L59-S63 PolarHBondContact O-N 2.84Å; T60-S63 PolarHBondContact O-N 2.9Å; T60-S63 VanDerWaalsContact O-N 3.13Å; E61-S63 PolarHBondContact O-N 3.33Å; S63-A65 PolarHBondContact O-N 2.75Å; S63-L66 WeakPolarHBondContact O-CA 3.45Å; S63-L66 WeakPolarHBondContact O-CB 3.31Å; S63-L66 PolarHBondContact O-N 2.94Å; S63-D67 PolarHBondContact O-N 3.28Å; S63-D67 PolarHBondContact OG-OD2 2.88Å; S63-H152 PolarHBondContact OG-CE1 3.22Å; S63-H152 PolarHBondContact OG-ND1 3.33Å; S63-H152 VanDerWaalsContact OG-ND1 3.08Å
64	T	85.9	Confident	70.6	Confident	75 Å²	75	63.9 Å²	63.9	46%	0.46	36%	0.362	S	S	.	.	H	α-helix	trans	-61.7	-30.5	-179.2	58.3	0	0	0	0	113.6	T60 E61 H68	T60-T64 PolarHBondContact O-N 3.28Å; T60-T64 PolarHBondContact O-OG1 3.25Å; E61-T64 PolarHBondContact O-N 3.1Å; E61-T64 VanDerWaalsContact O-N 3.17Å; E61-T64 PolarHBondContact O-OG1 3.12Å; T64-H68 PolarHBondContact O-N 3.3Å; T64-H68 VanDerWaalsContact O-N 3.1Å
65	A	85.6	Confident	68.1	Low	2 Å²	2	65.2 Å²	65.2	2%	0.017	38%	0.381	C	S	.	.	H	α-helix	trans	-72.3	-28.2	173.3	0	0	0	0	0	113.4	E61 L62 S63 W91 N94 V95 C98	E61-A65 PolarHBondContact O-N 3.06Å; L62-A65 PolarHBondContact O-N 2.98Å; S63-A65 PolarHBondContact O-N 2.75Å; A65-W91 PolarHBondContact O-NE1 2.88Å; A65-N94 WeakPolarHBondContact CB-ND2 3.41Å; A65-V95 HydrophobicContact CB-CG2 4.18Å; A65-V95 VanDerWaalsContact O-CG2 3.28Å; A65-V95 WeakPolarHBondContact O-CG2 3.49Å; A65-C98 HydrophobicContact CB-CB 4.33Å
66	L	84.9	Confident	65.4	Low	4 Å²	4	72.3 Å²	72.3	2%	0.021	42%	0.419	C	S	.	.	H	α-helix	trans	-78	-35.5	172.5	-67.6	164.1	0	0	0	111.7	L62 S63 V95 L135 L148 A151 L155	L62-L66 HydrophobicContact CD1-CD1 4.43Å; L62-L66 HydrophobicContact CD1-CG 4.45Å; L62-L66 HydrophobicContact CG-CD1 4.29Å; L62-L66 WeakPolarHBondContact O-CD1 3.45Å; L62-L66 VanDerWaalsContact O-CG 3.28Å; L62-L66 WeakPolarHBondContact O-CG 3.38Å; L62-L66 PolarHBondContact O-N 3.41Å; L62-L66 VanDerWaalsContact O-N 3.15Å; S63-L66 WeakPolarHBondContact O-CA 3.45Å; S63-L66 WeakPolarHBondContact O-CB 3.31Å; S63-L66 PolarHBondContact O-N 2.94Å; L66-V95 HydrophobicContact CD2-CG1 3.97Å; L66-L135 HydrophobicContact CD2-CD1 3.92Å; L66-L148 HydrophobicContact CB-CD2 4.16Å; L66-L148 HydrophobicContact CD2-CD2 3.8Å; L66-A151 HydrophobicContact CD1-CB 3.81Å; L66-A151 HydrophobicContact CD2-CB 4.25Å; L66-L155 HydrophobicContact CD1-CD1 4.49Å
67	D	76	Confident	63.2	Low	89 Å²	89	76.6 Å²	76.6	48%	0.476	45%	0.448	S	S	.	.	H	α-helix	trans	-72.1	-30.6	178.3	-71.7	-61.3	0	0	0	113.3	S63 H152	S63-D67 PolarHBondContact O-N 3.28Å; S63-D67 PolarHBondContact OG-OD2 2.88Å; D67-H152 IonicContact OD1-CE1 3.98Å; D67-H152 PolarHBondContact OD1-CE1 3.3Å; D67-H152 IonicContact OD1-NE2 2.88Å; D67-H152 IonicContact OD2-CE1 2.67Å; D67-H152 PolarHBondContact OD2-CE1 3.21Å
68	H	64.1	Low	60.6	Low	109 Å²	109	77.7 Å²	77.7	51%	0.505	46%	0.458	S	S	.	.			trans	-126.6	109.9	-172.2	-69.3	-60.4	0	0	0	115.3	T64 T70	T64-H68 PolarHBondContact O-N 3.3Å; T64-H68 VanDerWaalsContact O-N 3.1Å; H68-T70 PolarHBondContact O-N 2.94Å; H68-T70 VanDerWaalsContact O-N 3.16Å
69	P	55.6	Low	58	Low	71 Å²	71	84.3 Å²	84.3	46%	0.461	49%	0.493	S	S	.	.	S	Bend	trans	-68.4	104.2	157.5	-11	26.5	0	0	0	109.8	W91	P69-W91 HydrophobicContact CB-CD2 4.23Å; P69-W91 HydrophobicContact CB-CG 4.1Å; P69-W91 HydrophobicContact CG-CD2 4.46Å
70	T	41.5	Very low	55.3	Low	69 Å²	69	87.7 Å²	87.7	42%	0.423	53%	0.527	S	S	.	.			trans	66.7	117.9	177.6	69.6	0	0	0	0	117.7	H68 V87 V90	H68-T70 PolarHBondContact O-N 2.94Å; H68-T70 VanDerWaalsContact O-N 3.16Å; T70-V87 HydrophobicContact CG2-CG1 3.9Å; T70-V90 HydrophobicContact CG2-CB 4.36Å; T70-V90 HydrophobicContact CG2-CG1 4.19Å
71	S	31.5	Very low	52.9	Low	106 Å²	106	92.6 Å²	92.6	74%	0.741	55%	0.551	S	S	*	*			trans	-158.5	48.8	162.3	73.8	0	0	0	0	114.4
72	S	30.3	Very low	50.3	Low	102 Å²	102	91.5 Å²	91.5	71%	0.713	56%	0.561	S	S	*	*			trans	-155.2	142.5	154.8	63.1	0	0	0	0	108
73	T	32.6	Very low	47.9	Very low	112 Å²	112	94.8 Å²	94.8	69%	0.687	58%	0.584	S	S	*	*			cis	-133.4	161.4	28	47.6	0	0	0	0	113.2	V75	T73-V75 PolarHBondContact O-N 3.31Å
74	N	28.8	Very low	45.9	Very low	175 Å²	175	98.2 Å²	98.2	94%	0.936	61%	0.608	S	S	*	*			trans	-75.3	109.3	161.1	-78.7	-11.5	0	0	0	108.9
75	V	32.9	Very low	44	Very low	122 Å²	122	102.4 Å²	102.4	74%	0.739	62%	0.622	S	S	*	*			trans	-135	118.5	164.8	-174.3	0	0	0	0	107.6	T73	T73-V75 PolarHBondContact O-N 3.31Å
76	D	30.6	Very low	42.2	Very low	151 Å²	151	108.3 Å²	108.3	81%	0.807	65%	0.65	S	S	*	*			trans	-70.2	152.2	174	-64.8	-73.2	0	0	0	111.4
77	S	34.8	Very low	40.6	Very low	115 Å²	115	111 Å²	111	80%	0.804	67%	0.666	S	S	*	*			trans	103.7	105.9	166.4	-42.9	0	0	0	0	117.4
78	N	30.8	Very low	39.6	Very low	136 Å²	136	108.1 Å²	108.1	73%	0.727	65%	0.651	S	S	*	*				47.8	136.9	129.7	-107.8	54.2	0	0	0	123.2
79	D	34.2	Very low	39.6	Very low	149 Å²	149	106 Å²	106	80%	0.797	65%	0.648	S	S	*	*			trans	69.2	129	152.2	-54.2	-41.5	0	0	0	120
80	G	31.6	Very low	40.5	Very low	71 Å²	71	106.1 Å²	106.1	73%	0.732	65%	0.647	S	S	*	*			trans	115.1	80.9	149.2	0	0	0	0	0	118.3	G82	G80-G82 PolarHBondContact O-N 3Å
81	D	33.5	Very low	42.4	Very low	177 Å²	177	103.7 Å²	103.7	95%	0.947	63%	0.631	S	S	*	*			trans	30.8	60.5	136	-152.1	20.7	0	0	0	118
82	G	34.5	Very low	44.7	Very low	57 Å²	57	100.1 Å²	100.1	59%	0.588	61%	0.605	S	S	*	*			trans	-86.6	128.2	177.1	0	0	0	0	0	112.7	G80	G80-G82 PolarHBondContact O-N 3Å
83	S	38.5	Very low	47.2	Very low	69 Å²	69	100 Å²	100	48%	0.483	60%	0.6	S	S	.	*			trans	-77.4	148.8	-175.4	72.9	0	0	0	0	113.5	Q85 E86	S83-Q85 PolarHBondContact O-N 2.94Å; S83-E86 PolarHBondContact O-N 3.36Å; S83-E86 VanDerWaalsContact O-N 3.07Å
84	S	46.2	Very low	49.8	Very low	101 Å²	101	98.1 Å²	98.1	71%	0.706	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54	-23.2	-176.8	-45.9	0	0	0	0	115.3	E86 V87	S84-E86 PolarHBondContact O-N 2.89Å; S84-V87 PolarHBondContact O-N 3.45Å
85	Q	45.9	Very low	52.6	Low	163 Å²	163	89.8 Å²	89.8	76%	0.762	54%	0.541	S	S	*	.	H	α-helix	trans	-66.3	-21.5	179.2	-63.6	-172.8	-74.7	0	0	113.8	S83	S83-Q85 PolarHBondContact O-N 2.94Å
86	E	48	Very low	55.1	Low	127 Å²	127	85.6 Å²	85.6	59%	0.593	51%	0.514	S	S	*	.	H	α-helix	trans	-71.5	-40.4	178.3	-65.7	-166.4	133.5	0	0	111.8	S83 S84 S89 V90	S83-E86 PolarHBondContact O-N 3.36Å; S83-E86 VanDerWaalsContact O-N 3.07Å; S84-E86 PolarHBondContact O-N 2.89Å; E86-S89 WeakPolarHBondContact O-CB 3.35Å; E86-S89 PolarHBondContact O-N 3.33Å; E86-S89 PolarHBondContact O-OG 3.09Å; E86-V90 PolarHBondContact O-N 3.35Å
87	V	50.3	Low	57.9	Low	59 Å²	59	83.4 Å²	83.4	36%	0.358	50%	0.499	S	S	.	.	H	α-helix	trans	-62	-48.8	-176.5	-176.2	0	0	0	0	111.4	T70 S84 S89 V90 W91	T70-V87 HydrophobicContact CG2-CG1 3.9Å; S84-V87 PolarHBondContact O-N 3.45Å; V87-S89 VanDerWaalsContact C-N 3.25Å; V87-S89 PolarHBondContact O-N 3.16Å; V87-V90 PolarHBondContact O-N 3.44Å; V87-V90 VanDerWaalsContact O-N 3.12Å; V87-W91 PolarHBondContact O-N 3.46Å
88	D	55.8	Low	60.5	Low	30 Å²	30	78.4 Å²	78.4	16%	0.16	46%	0.464	C	S	.	.	H	α-helix	trans	-63.3	-32.4	180	-72.1	-5.8	0	0	0	111.7	S92 F137 D138 H139	D88-S92 PolarHBondContact O-N 3.49Å; D88-F137 WeakPolarHBondContact CB-O 3.31Å; D88-D138 WeakPolarHBondContact OD2-CA 3.38Å; D88-H139 IonicContact OD1-CD2 2.65Å; D88-H139 PolarHBondContact OD1-CD2 3.1Å; D88-H139 IonicContact OD1-CG 3.36Å; D88-H139 PolarHBondContact OD1-N 3.33Å; D88-H139 PolarHBondContact OD2-N 3.15Å
89	S	63.3	Low	63.4	Low	63 Å²	63	72.5 Å²	72.5	44%	0.441	43%	0.432	S	S	.	.	H	α-helix	trans	-66.5	-40	174.2	85.1	0	0	0	0	112.7	E86 V87 S92 V93	E86-S89 WeakPolarHBondContact O-CB 3.35Å; E86-S89 PolarHBondContact O-N 3.33Å; E86-S89 PolarHBondContact O-OG 3.09Å; V87-S89 VanDerWaalsContact C-N 3.25Å; V87-S89 PolarHBondContact O-N 3.16Å; S89-S92 PolarHBondContact O-N 2.93Å; S89-V93 WeakPolarHBondContact O-CG2 3.49Å; S89-V93 PolarHBondContact O-N 3.07Å
90	V	75.6	Confident	65.9	Low	74 Å²	74	67.8 Å²	67.8	45%	0.448	41%	0.41	S	S	.	.	H	α-helix	trans	-69.4	-42.1	-177.8	174.4	0	0	0	0	111.2	T70 E86 V87 V93 N94	T70-V90 HydrophobicContact CG2-CB 4.36Å; T70-V90 HydrophobicContact CG2-CG1 4.19Å; E86-V90 PolarHBondContact O-N 3.35Å; V87-V90 PolarHBondContact O-N 3.44Å; V87-V90 VanDerWaalsContact O-N 3.12Å; V90-V93 PolarHBondContact O-N 3.43Å; V90-N94 WeakPolarHBondContact O-CB 3.41Å; V90-N94 PolarHBondContact O-N 2.91Å
91	W	79.8	Confident	68.7	Low	19 Å²	19	66.8 Å²	66.8	7%	0.072	39%	0.388	C	S	.	.	H	α-helix	trans	-63.4	-44.3	176.5	-177.9	44.7	0	0	0	111.6	A65 P69 V87 V93 N94 V95 F137 L148	A65-W91 PolarHBondContact O-NE1 2.88Å; P69-W91 HydrophobicContact CB-CD2 4.23Å; P69-W91 HydrophobicContact CB-CG 4.1Å; P69-W91 HydrophobicContact CG-CD2 4.46Å; V87-W91 PolarHBondContact O-N 3.46Å; W91-V93 PolarHBondContact O-N 2.97Å; W91-N94 PolarHBondContact O-N 3.06Å; W91-V95 WeakPolarHBondContact O-CG2 3.43Å; W91-V95 PolarHBondContact O-N 3.48Å; W91-F137 AromaticContact CD2-CD1 3.9Å; W91-F137 HydrophobicContact CD2-CD1 3.9Å; W91-F137 HydrophobicContact CD2-CE1 4.28Å; W91-F137 HydrophobicContact CE3-CB 4.43Å; W91-F137 AromaticContact CE3-CD1 3.52Å; W91-F137 HydrophobicContact CE3-CD1 3.52Å; W91-F137 HydrophobicContact CE3-CE1 4.25Å; W91-F137 HydrophobicContact CE3-CG 4.41Å; W91-F137 HydrophobicContact CH2-CD1 4.36Å; W91-F137 AromaticContact CZ3-CD1 3.77Å; W91-F137 HydrophobicContact CZ3-CD1 3.77Å; W91-F137 HydrophobicContact CZ3-CE1 4.35Å; W91-L148 HydrophobicContact CZ2-CD2 4.34Å
92	S	81.3	Confident	71.4	Confident	30 Å²	30	58.5 Å²	58.5	21%	0.21	34%	0.343	C	S	.	.	H	α-helix	trans	-58.9	-46.4	175.9	-173.9	0	0	0	0	112.9	D88 S89 N94 H96 F137	D88-S92 PolarHBondContact O-N 3.49Å; S89-S92 PolarHBondContact O-N 2.93Å; S92-N94 PolarHBondContact O-N 3.27Å; S92-H96 WeakPolarHBondContact O-CB 3.18Å; S92-H96 PolarHBondContact O-N 2.83Å; S92-H96 VanDerWaalsContact O-N 3.16Å; S92-H96 PolarHBondContact O-ND1 3.06Å; S92-F137 VanDerWaalsContact CA-CD1 3.42Å
93	V	83	Confident	74	Confident	100 Å²	100	57.6 Å²	57.6	61%	0.606	33%	0.325	S	S	*	.	H	α-helix	trans	-62.1	-42.9	177.2	169.1	0	0	0	0	111.3	S89 V90 W91 Q97	S89-V93 WeakPolarHBondContact O-CG2 3.49Å; S89-V93 PolarHBondContact O-N 3.07Å; V90-V93 PolarHBondContact O-N 3.43Å; W91-V93 PolarHBondContact O-N 2.97Å; V93-Q97 VanDerWaalsContact O-CB 3.32Å; V93-Q97 WeakPolarHBondContact O-CB 3.36Å; V93-Q97 PolarHBondContact O-N 3.03Å
94	N	86.5	Confident	76.5	Confident	72 Å²	72	59.5 Å²	59.5	39%	0.385	33%	0.326	S	S	.	.	H	α-helix	trans	-63.6	-50.6	-178.9	-168.2	45.2	0	0	0	112.3	A65 V90 W91 S92 H96 Q97 C98	A65-N94 WeakPolarHBondContact CB-ND2 3.41Å; V90-N94 WeakPolarHBondContact O-CB 3.41Å; V90-N94 PolarHBondContact O-N 2.91Å; W91-N94 PolarHBondContact O-N 3.06Å; S92-N94 PolarHBondContact O-N 3.27Å; N94-H96 VanDerWaalsContact C-N 3.35Å; N94-H96 PolarHBondContact O-N 2.97Å; N94-Q97 PolarHBondContact O-N 3.21Å; N94-C98 PolarHBondContact O-N 3.3Å; N94-C98 PolarHBondContact O-SG 3.36Å
95	V	86.9	Confident	78.5	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-43.4	179.9	175.5	0	0	0	0	111.4	L62 A65 L66 W91 L99 V132 L135 F137	L62-V95 HydrophobicContact CD1-CG1 4.45Å; A65-V95 HydrophobicContact CB-CG2 4.18Å; A65-V95 VanDerWaalsContact O-CG2 3.28Å; A65-V95 WeakPolarHBondContact O-CG2 3.49Å; L66-V95 HydrophobicContact CD2-CG1 3.97Å; W91-V95 WeakPolarHBondContact O-CG2 3.43Å; W91-V95 PolarHBondContact O-N 3.48Å; V95-L99 WeakPolarHBondContact O-CB 3.34Å; V95-L99 PolarHBondContact O-N 3.05Å; V95-V132 HydrophobicContact CG1-CG1 3.79Å; V95-V132 HydrophobicContact CG1-CG2 4.28Å; V95-L135 HydrophobicContact CG1-CD1 4.4Å; V95-F137 HydrophobicContact CB-CE1 4.19Å; V95-F137 HydrophobicContact CG1-CZ 4.49Å; V95-F137 HydrophobicContact CG2-CE1 4.3Å
96	H	85.9	Confident	80.5	Confident	35 Å²	35	47.3 Å²	47.3	16%	0.162	26%	0.259	C	S	.	.	H	α-helix	trans	-67.3	-35.3	176.9	-73.3	101.8	0	0	0	112.8	S92 N94 L99 C100 F137	S92-H96 WeakPolarHBondContact O-CB 3.18Å; S92-H96 PolarHBondContact O-N 2.83Å; S92-H96 VanDerWaalsContact O-N 3.16Å; S92-H96 PolarHBondContact O-ND1 3.06Å; N94-H96 VanDerWaalsContact C-N 3.35Å; N94-H96 PolarHBondContact O-N 2.97Å; H96-L99 PolarHBondContact O-N 2.98Å; H96-C100 PolarHBondContact O-N 2.77Å; H96-C100 PolarHBondContact O-SG 3.29Å; H96-C100 VanDerWaalsContact O-SG 3.34Å; H96-F137 AromaticContact CE1-CE2 3.63Å; H96-F137 AromaticContact CE1-CZ 3.74Å
97	Q	89.2	Confident	82.3	Confident	105 Å²	105	45 Å²	45	49%	0.491	25%	0.247	S	C	.	.	H	α-helix	trans	-68.1	-45	176.2	-175.5	58.2	62.5	0	0	111.8	V93 N94 L99 C100 N101	V93-Q97 VanDerWaalsContact O-CB 3.32Å; V93-Q97 WeakPolarHBondContact O-CB 3.36Å; V93-Q97 PolarHBondContact O-N 3.03Å; N94-Q97 PolarHBondContact O-N 3.21Å; Q97-L99 VanDerWaalsContact C-N 3.31Å; Q97-L99 PolarHBondContact O-N 2.83Å; Q97-C100 WeakPolarHBondContact O-CB 3.34Å; Q97-C100 PolarHBondContact O-N 3.05Å; Q97-N101 PolarHBondContact NE2-OD1 3.12Å; Q97-N101 VanDerWaalsContact O-CG 3.31Å; Q97-N101 PolarHBondContact O-N 3.39Å; Q97-N101 PolarHBondContact O-OD1 3.47Å
98	C	89.9	Confident	84.1	Confident	10 Å²	10	45.5 Å²	45.5	7%	0.068	25%	0.245	C	C	.	.	H	α-helix	trans	-61.5	-39.3	174.8	-68.1	0	0	0	0	111.9	L62 A65 N94 N101 V102	L62-C98 HydrophobicContact CB-CB 3.98Å; L62-C98 HydrophobicContact CD1-CB 3.79Å; L62-C98 HydrophobicContact CG-CB 4.47Å; A65-C98 HydrophobicContact CB-CB 4.33Å; N94-C98 PolarHBondContact O-N 3.3Å; N94-C98 PolarHBondContact O-SG 3.36Å; C98-N101 WeakPolarHBondContact O-CB 3.48Å; C98-N101 PolarHBondContact O-N 2.99Å; C98-V102 WeakPolarHBondContact O-CG2 3.49Å; C98-V102 PolarHBondContact O-N 3.17Å
99	L	90.7	Very high	85.5	Confident	12 Å²	12	44.2 Å²	44.2	6%	0.063	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-43.7	173.7	179.8	63	0	0	0	111.8	L62 V95 H96 Q97 N101 V102 L103 L128 V129 V132	L62-L99 HydrophobicContact CD1-CB 4.36Å; L62-L99 HydrophobicContact CD2-CD1 4.18Å; V95-L99 WeakPolarHBondContact O-CB 3.34Å; V95-L99 PolarHBondContact O-N 3.05Å; H96-L99 PolarHBondContact O-N 2.98Å; Q97-L99 VanDerWaalsContact C-N 3.31Å; Q97-L99 PolarHBondContact O-N 2.83Å; L99-N101 VanDerWaalsContact C-N 3.33Å; L99-N101 PolarHBondContact O-N 2.78Å; L99-V102 PolarHBondContact O-N 2.89Å; L99-L103 HydrophobicContact CD1-CD1 4.38Å; L99-L103 HydrophobicContact CD1-CG 4.3Å; L99-L103 HydrophobicContact CG-CD1 4.11Å; L99-L103 HydrophobicContact CG-CG 4.45Å; L99-L103 WeakPolarHBondContact O-CB 3.39Å; L99-L103 VanDerWaalsContact O-CG 3.27Å; L99-L103 WeakPolarHBondContact O-CG 3.49Å; L99-L103 PolarHBondContact O-N 2.72Å; L99-L128 HydrophobicContact CD1-CD2 4.25Å; L99-L128 HydrophobicContact CD1-CG 4.2Å; L99-V129 HydrophobicContact CD1-CG2 4.13Å; L99-V129 HydrophobicContact CD2-CG2 4.26Å; L99-V132 HydrophobicContact CD2-CB 3.87Å; L99-V132 HydrophobicContact CD2-CG1 3.81Å; L99-V132 HydrophobicContact CD2-CG2 4.18Å
100	C	88.6	Confident	86.6	Confident	50 Å²	50	41.5 Å²	41.5	34%	0.338	22%	0.219	S	C	.	.	H	α-helix	trans	-60.3	-40.5	174.1	-76	0	0	0	0	112.5	H96 Q97 L103 Q104	H96-C100 PolarHBondContact O-N 2.77Å; H96-C100 PolarHBondContact O-SG 3.29Å; H96-C100 VanDerWaalsContact O-SG 3.34Å; Q97-C100 WeakPolarHBondContact O-CB 3.34Å; Q97-C100 PolarHBondContact O-N 3.05Å; C100-L103 PolarHBondContact O-N 2.78Å; C100-Q104 WeakPolarHBondContact O-CB 3.45Å; C100-Q104 PolarHBondContact O-N 2.95Å
101	N	89.5	Confident	87	Confident	50 Å²	50	43.3 Å²	43.3	27%	0.267	23%	0.225	S	C	.	.	H	α-helix	trans	-59.8	-50.5	175.4	-66.1	-1.5	0	0	0	111.1	T58 Q97 C98 L99 L103 Q104 V105	T58-N101 HydrophobicContact CG2-CB 4Å; Q97-N101 PolarHBondContact NE2-OD1 3.12Å; Q97-N101 VanDerWaalsContact O-CG 3.31Å; Q97-N101 PolarHBondContact O-N 3.39Å; Q97-N101 PolarHBondContact O-OD1 3.47Å; C98-N101 WeakPolarHBondContact O-CB 3.48Å; C98-N101 PolarHBondContact O-N 2.99Å; L99-N101 VanDerWaalsContact C-N 3.33Å; L99-N101 PolarHBondContact O-N 2.78Å; N101-L103 PolarHBondContact O-N 3.24Å; N101-Q104 PolarHBondContact O-N 2.67Å; N101-V105 WeakPolarHBondContact O-CG2 3.45Å; N101-V105 PolarHBondContact O-N 3.25Å
102	V	89.4	Confident	87.2	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-58	-49.1	177.4	169.9	0	0	0	0	111.1	T58 L59 L62 C98 L99 Q104 V105 L106	T58-V102 VanDerWaalsContact O-CG2 3.23Å; T58-V102 WeakPolarHBondContact O-CG2 3.39Å; L59-V102 HydrophobicContact CD2-CG1 3.62Å; L59-V102 HydrophobicContact CD2-CG2 4Å; L59-V102 HydrophobicContact CG-CG1 4.37Å; L59-V102 HydrophobicContact CG-CG2 4.33Å; L62-V102 HydrophobicContact CB-CG2 4.15Å; L62-V102 HydrophobicContact CD2-CG2 4.04Å; C98-V102 WeakPolarHBondContact O-CG2 3.49Å; C98-V102 PolarHBondContact O-N 3.17Å; L99-V102 PolarHBondContact O-N 2.89Å; V102-Q104 VanDerWaalsContact C-N 3.31Å; V102-Q104 PolarHBondContact O-N 2.92Å; V102-V105 PolarHBondContact O-N 3.1Å; V102-L106 WeakPolarHBondContact O-CB 3.46Å; V102-L106 PolarHBondContact O-N 3Å
103	L	90.1	Very high	87.5	Confident	39 Å²	39	48.2 Å²	48.2	20%	0.204	24%	0.239	C	C	.	.	H	α-helix	trans	-60.8	-38.7	179.1	-70.7	174.8	0	0	0	112.5	L19 L99 C100 N101 K107 I125 V129	L19-L103 HydrophobicContact CD1-CD2 4Å; L99-L103 HydrophobicContact CD1-CD1 4.38Å; L99-L103 HydrophobicContact CD1-CG 4.3Å; L99-L103 HydrophobicContact CG-CD1 4.11Å; L99-L103 HydrophobicContact CG-CG 4.45Å; L99-L103 WeakPolarHBondContact O-CB 3.39Å; L99-L103 VanDerWaalsContact O-CG 3.27Å; L99-L103 WeakPolarHBondContact O-CG 3.49Å; L99-L103 PolarHBondContact O-N 2.72Å; C100-L103 PolarHBondContact O-N 2.78Å; N101-L103 PolarHBondContact O-N 3.24Å; L103-K107 WeakPolarHBondContact O-CB 3.44Å; L103-K107 PolarHBondContact O-N 3.25Å; L103-I125 HydrophobicContact CD2-CG2 3.6Å; L103-V129 HydrophobicContact CD1-CG2 4.05Å; L103-V129 HydrophobicContact CD2-CG2 4.01Å
104	Q	89.6	Confident	87.3	Confident	108 Å²	108	51.4 Å²	51.4	51%	0.505	24%	0.24	S	C	.	.	H	α-helix	trans	-69.5	-50.7	177.5	179.2	173.5	-19.5	0	0	111.9	C100 N101 V102 L106 K107 E108	C100-Q104 WeakPolarHBondContact O-CB 3.45Å; C100-Q104 PolarHBondContact O-N 2.95Å; N101-Q104 PolarHBondContact O-N 2.67Å; V102-Q104 VanDerWaalsContact C-N 3.31Å; V102-Q104 PolarHBondContact O-N 2.92Å; Q104-L106 VanDerWaalsContact C-N 3.3Å; Q104-L106 PolarHBondContact O-N 3.04Å; Q104-K107 PolarHBondContact O-N 2.96Å; Q104-E108 HydrophobicContact CG-CG 4.5Å; Q104-E108 VanDerWaalsContact CG-OE1 3.3Å; Q104-E108 WeakPolarHBondContact CG-OE1 3.49Å; Q104-E108 PolarHBondContact NE2-OE1 3.39Å; Q104-E108 WeakPolarHBondContact O-CG 3.42Å; Q104-E108 PolarHBondContact O-N 3.33Å
105	V	89.4	Confident	87.2	Confident	7 Å²	7	50.4 Å²	50.4	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-42	-179.5	175.4	0	0	0	0	110.7	R54 L55 T58 N101 V102 E108 A109	R54-V105 HydrophobicContact CB-CG1 4.5Å; R54-V105 HydrophobicContact CG-CG1 4.12Å; R54-V105 HydrophobicContact CG-CG2 4.2Å; L55-V105 HydrophobicContact CB-CG1 3.98Å; L55-V105 HydrophobicContact CD1-CG1 4.23Å; T58-V105 HydrophobicContact CG2-CG2 4.05Å; N101-V105 WeakPolarHBondContact O-CG2 3.45Å; N101-V105 PolarHBondContact O-N 3.25Å; V102-V105 PolarHBondContact O-N 3.1Å; V105-E108 PolarHBondContact O-N 3.24Å; V105-A109 WeakPolarHBondContact O-CB 3.43Å; V105-A109 PolarHBondContact O-N 3.31Å
106	L	87.9	Confident	87.1	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-68.9	-35.6	178.7	-170.6	45.5	0	0	0	112	L55 V102 Q104 A109 I110 I121 I125 L158	L55-L106 HydrophobicContact CD1-CB 4.06Å; L55-L106 HydrophobicContact CD1-CD1 4.41Å; L55-L106 HydrophobicContact CD2-CD1 3.88Å; V102-L106 WeakPolarHBondContact O-CB 3.46Å; V102-L106 PolarHBondContact O-N 3Å; Q104-L106 VanDerWaalsContact C-N 3.3Å; Q104-L106 PolarHBondContact O-N 3.04Å; L106-A109 PolarHBondContact O-N 2.93Å; L106-I110 HydrophobicContact CD1-CD1 3.89Å; L106-I110 HydrophobicContact CD1-CG1 4.14Å; L106-I110 HydrophobicContact CG-CD1 3.91Å; L106-I110 VanDerWaalsContact O-CB 3.26Å; L106-I110 WeakPolarHBondContact O-CB 3.31Å; L106-I110 WeakPolarHBondContact O-CD1 3.45Å; L106-I110 WeakPolarHBondContact O-CG1 3.5Å; L106-I110 PolarHBondContact O-N 3.31Å; L106-I121 HydrophobicContact CD1-CG2 4.26Å; L106-I121 HydrophobicContact CD2-CG2 4.28Å; L106-I125 HydrophobicContact CD2-CD1 3.53Å; L106-I125 HydrophobicContact CD2-CG1 3.66Å; L106-I125 HydrophobicContact CG-CD1 4.01Å; L106-L158 HydrophobicContact CD2-CD1 4.11Å; L106-L158 HydrophobicContact CD2-CD2 4.18Å
107	K	85.8	Confident	87.1	Confident	80 Å²	80	50.9 Å²	50.9	35%	0.348	24%	0.235	S	C	.	.	H	α-helix	trans	-64.1	-45.4	170	177.7	-176.3	172.2	-172.5	0	112.2	C18 L22 L103 Q104 A109 I110 I111	C18-K107 PolarHBondContact SG-NZ 3.34Å; L22-K107 HydrophobicContact CD1-CD 4.33Å; L22-K107 HydrophobicContact CD1-CG 4.44Å; L22-K107 HydrophobicContact CD2-CG 4.44Å; L103-K107 WeakPolarHBondContact O-CB 3.44Å; L103-K107 PolarHBondContact O-N 3.25Å; Q104-K107 PolarHBondContact O-N 2.96Å; K107-A109 VanDerWaalsContact C-N 3.32Å; K107-A109 PolarHBondContact O-N 2.68Å; K107-I110 PolarHBondContact O-N 3.19Å; K107-I111 HydrophobicContact CG-CD1 3.87Å; K107-I111 WeakPolarHBondContact O-CB 3.34Å; K107-I111 VanDerWaalsContact O-CG1 3.27Å; K107-I111 WeakPolarHBondContact O-CG1 3.39Å; K107-I111 PolarHBondContact O-N 3.24Å
108	E	87.5	Confident	87	Confident	68 Å²	68	47.1 Å²	47.1	32%	0.318	22%	0.22	S	C	.	.	H	α-helix	trans	-58.9	-44.4	175.8	-73.7	171.2	-164.6	0	0	110.8	R54 Q104 V105 R112	R54-E108 IonicContact CZ-OE2 2.88Å; R54-E108 IonicContact NH1-OE2 3.36Å; R54-E108 PolarHBondContact NH1-OE2 2.94Å; R54-E108 IonicContact NH2-OE1 2.67Å; R54-E108 IonicContact NH2-OE2 3.94Å; R54-E108 PolarHBondContact NH2-OE2 2.65Å; R54-E108 VanDerWaalsContact NH2-OE2 3.12Å; Q104-E108 HydrophobicContact CG-CG 4.5Å; Q104-E108 VanDerWaalsContact CG-OE1 3.3Å; Q104-E108 WeakPolarHBondContact CG-OE1 3.49Å; Q104-E108 PolarHBondContact NE2-OE1 3.39Å; Q104-E108 WeakPolarHBondContact O-CG 3.42Å; Q104-E108 PolarHBondContact O-N 3.33Å; V105-E108 PolarHBondContact O-N 3.24Å; E108-R112 WeakPolarHBondContact O-CB 3.45Å; E108-R112 PolarHBondContact O-N 3.32Å; E108-R112 VanDerWaalsContact O-N 3.14Å
109	A	85.3	Confident	86.8	Confident	3 Å²	3	52.9 Å²	52.9	3%	0.025	25%	0.25	C	S	.	.	H	α-helix	trans	-65.6	-45.1	176.4	0	0	0	0	0	112.8	V105 L106 K107 I111 R112 Y113 L116	V105-A109 WeakPolarHBondContact O-CB 3.43Å; V105-A109 PolarHBondContact O-N 3.31Å; L106-A109 PolarHBondContact O-N 2.93Å; K107-A109 VanDerWaalsContact C-N 3.32Å; K107-A109 PolarHBondContact O-N 2.68Å; A109-I111 VanDerWaalsContact C-N 3.29Å; A109-I111 PolarHBondContact O-N 2.7Å; A109-R112 PolarHBondContact O-N 3.1Å; A109-Y113 HydrophobicContact CB-CD2 4.33Å; A109-Y113 WeakPolarHBondContact O-CB 3.45Å; A109-Y113 WeakPolarHBondContact O-CD2 3.45Å; A109-Y113 PolarHBondContact O-N 3.28Å; A109-L116 HydrophobicContact CB-CD1 3.79Å
110	I	86.2	Confident	86.6	Confident	6 Å²	6	56.2 Å²	56.2	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-29.6	179.2	-76.4	169.6	0	0	0	112.6	L106 K107 L116 Q117 I121 F122 I125	L106-I110 HydrophobicContact CD1-CD1 3.89Å; L106-I110 HydrophobicContact CD1-CG1 4.14Å; L106-I110 HydrophobicContact CG-CD1 3.91Å; L106-I110 VanDerWaalsContact O-CB 3.26Å; L106-I110 WeakPolarHBondContact O-CB 3.31Å; L106-I110 WeakPolarHBondContact O-CD1 3.45Å; L106-I110 WeakPolarHBondContact O-CG1 3.5Å; L106-I110 PolarHBondContact O-N 3.31Å; K107-I110 PolarHBondContact O-N 3.19Å; I110-L116 HydrophobicContact CG1-CB 3.96Å; I110-Q117 HydrophobicContact CG2-CG 3.77Å; I110-Q117 PolarHBondContact O-NE2 3.46Å; I110-I121 HydrophobicContact CD1-CG2 4.09Å; I110-F122 HydrophobicContact CD1-CE1 3.98Å; I110-F122 HydrophobicContact CD1-CZ 4.23Å; I110-F122 HydrophobicContact CG2-CZ 4.14Å; I110-I125 HydrophobicContact CD1-CD1 4.47Å
111	I	84.3	Confident	86.6	Confident	113 Å²	113	53.8 Å²	53.8	58%	0.579	25%	0.252	S	S	*	.	H	α-helix	trans	-75	-39.2	174.2	-70.1	167.9	0	0	0	111.1	K107 A109	K107-I111 HydrophobicContact CG-CD1 3.87Å; K107-I111 WeakPolarHBondContact O-CB 3.34Å; K107-I111 VanDerWaalsContact O-CG1 3.27Å; K107-I111 WeakPolarHBondContact O-CG1 3.39Å; K107-I111 PolarHBondContact O-N 3.24Å; A109-I111 VanDerWaalsContact C-N 3.29Å; A109-I111 PolarHBondContact O-N 2.7Å
112	R	85	Confident	86.6	Confident	141 Å²	141	54 Å²	54	53%	0.532	25%	0.25	S	S	.	.	H	α-helix	trans	-78.3	-42.3	-178.7	-173.2	174.7	-74.8	159.9	-1.2	112.8	D51 E108 A109	D51-R112 VanDerWaalsContact CG-NH1 3.27Å; D51-R112 IonicContact OD1-NH1 3.37Å; D51-R112 PolarHBondContact OD1-NH1 3.4Å; D51-R112 VanDerWaalsContact OD1-NH1 3.12Å; D51-R112 WeakPolarHBondContact OD2-CD 3.26Å; D51-R112 IonicContact OD2-CZ 3.4Å; D51-R112 IonicContact OD2-NE 3.15Å; D51-R112 IonicContact OD2-NH1 2.7Å; D51-R112 PolarHBondContact OD2-NH1 3.45Å; E108-R112 WeakPolarHBondContact O-CB 3.45Å; E108-R112 PolarHBondContact O-N 3.32Å; E108-R112 VanDerWaalsContact O-N 3.14Å; A109-R112 PolarHBondContact O-N 3.1Å
113	Y	87.2	Confident	86.5	Confident	10 Å²	10	60.3 Å²	60.3	4%	0.039	28%	0.28	C	S	.	.			trans	-116.4	92.7	-173.5	-51.2	-68.4	0	0	0	110.4	L44 C47 L48 D51 A109 F115 L116	L44-Y113 HydrophobicContact CD1-CE1 3.98Å; C47-Y113 WeakPolarHBondContact CB-OH 3.21Å; C47-Y113 PolarHBondContact O-OH 3.19Å; L48-Y113 WeakPolarHBondContact CA-OH 3.32Å; L48-Y113 HydrophobicContact CB-CE1 3.88Å; L48-Y113 HydrophobicContact CD1-CD1 3.83Å; L48-Y113 HydrophobicContact CD1-CD2 3.91Å; L48-Y113 HydrophobicContact CD1-CE1 3.9Å; L48-Y113 HydrophobicContact CD1-CE2 3.99Å; L48-Y113 HydrophobicContact CD1-CG 3.85Å; L48-Y113 HydrophobicContact CG-CE1 4.46Å; L48-Y113 PolarHBondContact N-OH 2.83Å; L48-Y113 VanDerWaalsContact N-OH 3.14Å; D51-Y113 HydrophobicContact CB-CE2 3.89Å; D51-Y113 WeakPolarHBondContact OD2-CE2 3.49Å; D51-Y113 PolarHBondContact OD2-OH 2.95Å; A109-Y113 HydrophobicContact CB-CD2 4.33Å; A109-Y113 WeakPolarHBondContact O-CB 3.45Å; A109-Y113 WeakPolarHBondContact O-CD2 3.45Å; A109-Y113 PolarHBondContact O-N 3.28Å; Y113-F115 HydrophobicContact CD1-CE1 4.26Å; Y113-F115 HydrophobicContact CG-CE1 4.29Å; Y113-F115 PolarHBondContact O-N 3.43Å; Y113-L116 HydrophobicContact CD2-CD1 4.23Å; Y113-L116 WeakPolarHBondContact O-CB 3.34Å; Y113-L116 PolarHBondContact O-N 3.02Å
114	R	78.6	Confident	86.5	Confident	167 Å²	167	61.4 Å²	61.4	63%	0.63	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-57.8	-23.8	-175.9	-87.9	-168.8	156.6	109.3	0.3	115	L116 Q117	R114-L116 PolarHBondContact O-N 3.49Å; R114-Q117 VanDerWaalsContact O-CB 3.26Å; R114-Q117 WeakPolarHBondContact O-CB 3.45Å; R114-Q117 WeakPolarHBondContact O-CG 3.35Å; R114-Q117 PolarHBondContact O-N 3.2Å
115	F	83.4	Confident	86.5	Confident	52 Å²	52	56.8 Å²	56.8	23%	0.228	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-70.2	-17.9	177.7	66.5	-98.3	0	0	0	113.2	L48 Y113 Q117 C165 V166 Y169	L48-F115 HydrophobicContact CD1-CE1 4.38Å; L48-F115 HydrophobicContact CD1-CZ 3.7Å; L48-F115 HydrophobicContact CD2-CE1 4.34Å; L48-F115 HydrophobicContact CD2-CZ 3.85Å; L48-F115 HydrophobicContact CG-CZ 4.45Å; Y113-F115 HydrophobicContact CD1-CE1 4.26Å; Y113-F115 HydrophobicContact CG-CE1 4.29Å; Y113-F115 PolarHBondContact O-N 3.43Å; F115-Q117 PolarHBondContact O-N 3.37Å; F115-C165 HydrophobicContact CD2-CB 4.27Å; F115-C165 WeakPolarHBondContact CD2-O 3.44Å; F115-V166 HydrophobicContact CE2-CG2 3.97Å; F115-V166 HydrophobicContact CZ-CG2 4.47Å; F115-Y169 HydrophobicContact CB-CD2 4.2Å; F115-Y169 HydrophobicContact CD1-CD1 4.39Å; F115-Y169 AromaticContact CD1-CD2 3.13Å; F115-Y169 HydrophobicContact CD1-CD2 3.13Å; F115-Y169 AromaticContact CD1-CE2 3.55Å; F115-Y169 HydrophobicContact CD1-CE2 3.55Å; F115-Y169 AromaticContact CD1-CG 3.61Å; F115-Y169 HydrophobicContact CD1-CG 3.61Å; F115-Y169 HydrophobicContact CD2-CD2 4.37Å; F115-Y169 HydrophobicContact CD2-CG 4.29Å; F115-Y169 AromaticContact CE1-CD1 3.8Å; F115-Y169 HydrophobicContact CE1-CD1 3.8Å; F115-Y169 AromaticContact CE1-CD2 3.4Å; F115-Y169 HydrophobicContact CE1-CD2 3.4Å; F115-Y169 VanDerWaalsContact CE1-CD2 3.4Å; F115-Y169 HydrophobicContact CE1-CE1 4.14Å; F115-Y169 AromaticContact CE1-CE2 3.74Å; F115-Y169 HydrophobicContact CE1-CE2 3.74Å; F115-Y169 AromaticContact CE1-CG 3.43Å; F115-Y169 HydrophobicContact CE1-CG 3.43Å; F115-Y169 VanDerWaalsContact CE1-CG 3.43Å; F115-Y169 HydrophobicContact CE2-CG 4.17Å; F115-Y169 AromaticContact CG-CD2 3.66Å; F115-Y169 HydrophobicContact CG-CD2 3.66Å; F115-Y169 HydrophobicContact CG-CE2 4.46Å; F115-Y169 HydrophobicContact CG-CG 4.03Å; F115-Y169 HydrophobicContact CZ-CD1 4.04Å; F115-Y169 HydrophobicContact CZ-CD2 4.15Å; F115-Y169 AromaticContact CZ-CG 3.73Å; F115-Y169 HydrophobicContact CZ-CG 3.73Å
116	L	85.8	Confident	86.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-75.5	2.9	172.1	-60.5	179.2	0	0	0	113.2	A109 I110 Y113 R114 S118 I121 V162 C165 V166	A109-L116 HydrophobicContact CB-CD1 3.79Å; I110-L116 HydrophobicContact CG1-CB 3.96Å; Y113-L116 HydrophobicContact CD2-CD1 4.23Å; Y113-L116 WeakPolarHBondContact O-CB 3.34Å; Y113-L116 PolarHBondContact O-N 3.02Å; R114-L116 PolarHBondContact O-N 3.49Å; L116-S118 PolarHBondContact O-N 2.99Å; L116-I121 HydrophobicContact CB-CD1 4.49Å; L116-I121 HydrophobicContact CD2-CD1 4.46Å; L116-I121 WeakPolarHBondContact O-CD1 3.45Å; L116-V162 HydrophobicContact CD2-CG1 4.26Å; L116-C165 HydrophobicContact CD2-CB 3.91Å; L116-V166 HydrophobicContact CD2-CG2 4.14Å
117	Q	85.4	Confident	86.3	Confident	45 Å²	45	59.1 Å²	59.1	21%	0.21	28%	0.284	C	S	.	.			trans	-81.6	45.5	177.6	-66	169.3	2.9	0	0	111.7	Y26 I110 R114 F115 F122	Y26-Q117 HydrophobicContact CE2-CB 4.49Å; Y26-Q117 HydrophobicContact CE2-CG 4.42Å; Y26-Q117 WeakPolarHBondContact OH-CB 3.4Å; Y26-Q117 PolarHBondContact OH-OE1 3.47Å; I110-Q117 HydrophobicContact CG2-CG 3.77Å; I110-Q117 PolarHBondContact O-NE2 3.46Å; R114-Q117 VanDerWaalsContact O-CB 3.26Å; R114-Q117 WeakPolarHBondContact O-CB 3.45Å; R114-Q117 WeakPolarHBondContact O-CG 3.35Å; R114-Q117 PolarHBondContact O-N 3.2Å; F115-Q117 PolarHBondContact O-N 3.37Å; Q117-F122 HydrophobicContact CB-CE2 4.46Å
118	S	86.5	Confident	86.5	Confident	25 Å²	25	55.4 Å²	55.4	18%	0.175	27%	0.267	C	S	.	.			trans	-80.9	145.1	174.7	-173.2	0	0	0	0	112.1	L116 D120 I121 F122	L116-S118 PolarHBondContact O-N 2.99Å; S118-D120 VanDerWaalsContact C-N 3.27Å; S118-D120 PolarHBondContact O-N 3.09Å; S118-D120 PolarHBondContact OG-N 2.9Å; S118-D120 PolarHBondContact OG-OD2 3.01Å; S118-I121 PolarHBondContact O-N 3.36Å; S118-F122 WeakPolarHBondContact O-CD2 3.43Å; S118-F122 PolarHBondContact O-N 2.91Å
119	N	85.8	Confident	86.5	Confident	132 Å²	132	53 Å²	53	71%	0.706	26%	0.257	S	S	*	.	H	α-helix	trans	-59.8	-38.5	172.8	-62.1	-49.3	0	0	0	111.7	I121 F122 E123	N119-I121 VanDerWaalsContact C-N 3.34Å; N119-I121 PolarHBondContact O-N 2.96Å; N119-F122 CarbonylContact O-C 3.55Å; N119-F122 PolarHBondContact O-N 2.79Å; N119-F122 VanDerWaalsContact O-N 3.14Å; N119-E123 PolarHBondContact O-N 3.12Å
120	D	86.8	Confident	86.6	Confident	81 Å²	81	57.5 Å²	57.5	43%	0.433	28%	0.281	S	S	.	.	H	α-helix	trans	-66.8	-39.3	-175.7	-39.6	-69.6	0	0	0	110.8	S118 F122 E123 Y124 A161	S118-D120 VanDerWaalsContact C-N 3.27Å; S118-D120 PolarHBondContact O-N 3.09Å; S118-D120 PolarHBondContact OG-N 2.9Å; S118-D120 PolarHBondContact OG-OD2 3.01Å; D120-F122 PolarHBondContact O-N 3.11Å; D120-E123 PolarHBondContact O-N 2.59Å; D120-Y124 HydrophobicContact CB-CD2 4.42Å; D120-Y124 HydrophobicContact CB-CE2 3.98Å; D120-Y124 WeakPolarHBondContact O-CD2 3.5Å; D120-Y124 PolarHBondContact O-N 2.7Å; D120-A161 HydrophobicContact CB-CB 4.21Å
121	I	88.8	Confident	86.6	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.4	-46.8	172.2	-68.9	172.2	0	0	0	110.1	L106 I110 L116 S118 N119 I125 L158 A161 V162 C165	L106-I121 HydrophobicContact CD1-CG2 4.26Å; L106-I121 HydrophobicContact CD2-CG2 4.28Å; I110-I121 HydrophobicContact CD1-CG2 4.09Å; L116-I121 HydrophobicContact CB-CD1 4.49Å; L116-I121 HydrophobicContact CD2-CD1 4.46Å; L116-I121 WeakPolarHBondContact O-CD1 3.45Å; S118-I121 PolarHBondContact O-N 3.36Å; N119-I121 VanDerWaalsContact C-N 3.34Å; N119-I121 PolarHBondContact O-N 2.96Å; I121-I125 HydrophobicContact CG2-CD1 3.85Å; I121-I125 WeakPolarHBondContact O-CB 3.3Å; I121-I125 WeakPolarHBondContact O-CD1 3.19Å; I121-I125 WeakPolarHBondContact O-CG1 3.27Å; I121-I125 PolarHBondContact O-N 3.28Å; I121-L158 HydrophobicContact CB-CD1 4.45Å; I121-L158 HydrophobicContact CG2-CD1 4.09Å; I121-A161 HydrophobicContact CG1-CB 3.89Å; I121-V162 HydrophobicContact CD1-CG2 3.86Å; I121-V162 HydrophobicContact CG1-CG2 4.03Å; I121-C165 HydrophobicContact CD1-CB 4.37Å
122	F	88.8	Confident	86.6	Confident	53 Å²	53	52.2 Å²	52.2	23%	0.232	25%	0.254	C	S	.	.	H	α-helix	trans	-67.1	-35.2	177	-67.1	-60.9	0	0	0	113.4	I110 Q117 S118 N119 D120 I125 G126	I110-F122 HydrophobicContact CD1-CE1 3.98Å; I110-F122 HydrophobicContact CD1-CZ 4.23Å; I110-F122 HydrophobicContact CG2-CZ 4.14Å; Q117-F122 HydrophobicContact CB-CE2 4.46Å; S118-F122 WeakPolarHBondContact O-CD2 3.43Å; S118-F122 PolarHBondContact O-N 2.91Å; N119-F122 CarbonylContact O-C 3.55Å; N119-F122 PolarHBondContact O-N 2.79Å; N119-F122 VanDerWaalsContact O-N 3.14Å; D120-F122 PolarHBondContact O-N 3.11Å; F122-I125 HydrophobicContact CD1-CD1 4.31Å; F122-G126 PolarHBondContact O-N 3.21Å
123	E	87.3	Confident	86.6	Confident	136 Å²	136	51.3 Å²	51.3	64%	0.636	25%	0.254	S	S	*	.	H	α-helix	trans	-67.7	-46.7	176.3	-173.8	169.9	151	0	0	111.4	N119 D120 G126 A127	N119-E123 PolarHBondContact O-N 3.12Å; D120-E123 PolarHBondContact O-N 2.59Å; E123-G126 PolarHBondContact O-N 3.48Å; E123-A127 WeakPolarHBondContact O-CB 3.45Å; E123-A127 PolarHBondContact O-N 2.94Å
124	Y	91.3	Very high	86.2	Confident	62 Å²	62	53.3 Å²	53.3	24%	0.243	28%	0.278	C	S	.	.	H	α-helix	trans	-69.2	-34.1	177.8	-59.5	-44.7	0	0	0	112.6	D120 L128 N157 A161	D120-Y124 HydrophobicContact CB-CD2 4.42Å; D120-Y124 HydrophobicContact CB-CE2 3.98Å; D120-Y124 WeakPolarHBondContact O-CD2 3.5Å; D120-Y124 PolarHBondContact O-N 2.7Å; Y124-L128 WeakPolarHBondContact O-CB 3.45Å; Y124-L128 PolarHBondContact O-N 2.74Å; Y124-N157 HydrophobicContact CD1-CB 3.9Å; Y124-N157 HydrophobicContact CD2-CB 4Å; Y124-N157 HydrophobicContact CE1-CB 3.71Å; Y124-N157 HydrophobicContact CE2-CB 3.8Å; Y124-N157 HydrophobicContact CG-CB 4.06Å; Y124-A161 HydrophobicContact CD2-CB 4.02Å; Y124-A161 HydrophobicContact CE2-CB 4.02Å
125	I	88.6	Confident	86.3	Confident	11 Å²	11	45.9 Å²	45.9	6%	0.056	25%	0.25	C	S	.	.	H	α-helix	trans	-56.7	-51.6	167.1	-72.4	163	0	0	0	110.3	L19 L103 L106 I110 I121 F122 L128 V129 L158	L19-I125 HydrophobicContact CD1-CG2 3.84Å; L103-I125 HydrophobicContact CD2-CG2 3.6Å; L106-I125 HydrophobicContact CD2-CD1 3.53Å; L106-I125 HydrophobicContact CD2-CG1 3.66Å; L106-I125 HydrophobicContact CG-CD1 4.01Å; I110-I125 HydrophobicContact CD1-CD1 4.47Å; I121-I125 HydrophobicContact CG2-CD1 3.85Å; I121-I125 WeakPolarHBondContact O-CB 3.3Å; I121-I125 WeakPolarHBondContact O-CD1 3.19Å; I121-I125 WeakPolarHBondContact O-CG1 3.27Å; I121-I125 PolarHBondContact O-N 3.28Å; F122-I125 HydrophobicContact CD1-CD1 4.31Å; I125-L128 PolarHBondContact O-N 2.93Å; I125-V129 HydrophobicContact CG2-CG2 4.42Å; I125-V129 WeakPolarHBondContact O-CB 3.27Å; I125-V129 VanDerWaalsContact O-CG2 3.28Å; I125-V129 WeakPolarHBondContact O-CG2 3.34Å; I125-V129 PolarHBondContact O-N 2.88Å; I125-L158 HydrophobicContact CG1-CD1 4.33Å; I125-L158 HydrophobicContact CG1-CD2 4.45Å
126	G	86.4	Confident	85.9	Confident	30 Å²	30	48.3 Å²	48.3	31%	0.309	26%	0.261	S	S	.	.	H	α-helix	trans	-60.3	-47.4	-179.3	0	0	0	0	0	112.1	F122 E123 L128 V129 D130	F122-G126 PolarHBondContact O-N 3.21Å; E123-G126 PolarHBondContact O-N 3.48Å; G126-L128 PolarHBondContact O-N 2.95Å; G126-V129 PolarHBondContact O-N 3.18Å; G126-D130 WeakPolarHBondContact O-CB 3.37Å; G126-D130 PolarHBondContact O-N 3.07Å
127	A	88.2	Confident	85.3	Confident	27 Å²	27	49.8 Å²	49.8	22%	0.223	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-40.8	178.6	0	0	0	0	0	112.7	E123 V131 T154	E123-A127 WeakPolarHBondContact O-CB 3.45Å; E123-A127 PolarHBondContact O-N 2.94Å; A127-V131 WeakPolarHBondContact O-CB 3.15Å; A127-V131 WeakPolarHBondContact O-CG2 3.39Å; A127-V131 PolarHBondContact O-N 2.93Å; A127-T154 HydrophobicContact CB-CG2 3.77Å
128	L	88.9	Confident	84.3	Confident	2 Å²	2	53 Å²	53	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-66.5	-45.2	177.1	-178.9	63	0	0	0	111.4	L62 L99 Y124 I125 G126 D130 V131 V132 L158	L62-L128 HydrophobicContact CD2-CD1 4.46Å; L62-L128 HydrophobicContact CD2-CD2 3.86Å; L62-L128 HydrophobicContact CD2-CG 4.45Å; L99-L128 HydrophobicContact CD1-CD2 4.25Å; L99-L128 HydrophobicContact CD1-CG 4.2Å; Y124-L128 WeakPolarHBondContact O-CB 3.45Å; Y124-L128 PolarHBondContact O-N 2.74Å; I125-L128 PolarHBondContact O-N 2.93Å; G126-L128 PolarHBondContact O-N 2.95Å; L128-D130 PolarHBondContact O-N 3.16Å; L128-V131 PolarHBondContact O-N 2.95Å; L128-V132 WeakPolarHBondContact O-CG2 3.33Å; L128-V132 PolarHBondContact O-N 3.32Å; L128-L158 HydrophobicContact CD2-CD2 4.29Å
129	V	88.7	Confident	82.7	Confident	16 Å²	16	57.5 Å²	57.5	10%	0.097	30%	0.304	C	S	.	.	H	α-helix	trans	-60.9	-43.3	176	167	0	0	0	0	111.5	L99 L103 I125 G126 K133	L99-V129 HydrophobicContact CD1-CG2 4.13Å; L99-V129 HydrophobicContact CD2-CG2 4.26Å; L103-V129 HydrophobicContact CD1-CG2 4.05Å; L103-V129 HydrophobicContact CD2-CG2 4.01Å; I125-V129 HydrophobicContact CG2-CG2 4.42Å; I125-V129 WeakPolarHBondContact O-CB 3.27Å; I125-V129 VanDerWaalsContact O-CG2 3.28Å; I125-V129 WeakPolarHBondContact O-CG2 3.34Å; I125-V129 PolarHBondContact O-N 2.88Å; G126-V129 PolarHBondContact O-N 3.18Å; V129-K133 HydrophobicContact CG1-CD 4.28Å; V129-K133 VanDerWaalsContact O-CG 3.27Å; V129-K133 WeakPolarHBondContact O-CG 3.39Å; V129-K133 PolarHBondContact O-N 3.45Å; V129-K133 VanDerWaalsContact O-N 3.1Å
130	D	85.9	Confident	81.1	Confident	99 Å²	99	58.1 Å²	58.1	53%	0.529	31%	0.307	S	S	.	.	H	α-helix	trans	-75.4	-24.4	179.7	-73.1	-12.5	0	0	0	113.2	G126 L128 K133 G134	G126-D130 WeakPolarHBondContact O-CB 3.37Å; G126-D130 PolarHBondContact O-N 3.07Å; L128-D130 PolarHBondContact O-N 3.16Å; D130-K133 IonicContact OD1-NZ 2.64Å; D130-K133 PolarHBondContact OD1-NZ 2.9Å; D130-G134 PolarHBondContact O-N 2.96Å
131	V	86.4	Confident	79.5	Confident	8 Å²	8	55.4 Å²	55.4	5%	0.048	30%	0.296	C	S	.	.	H	α-helix	trans	-72.3	-45.7	169.7	169.3	0	0	0	0	111.4	A127 L128 K133 G134 L135 A147 K150 A151	A127-V131 WeakPolarHBondContact O-CB 3.15Å; A127-V131 WeakPolarHBondContact O-CG2 3.39Å; A127-V131 PolarHBondContact O-N 2.93Å; L128-V131 PolarHBondContact O-N 2.95Å; V131-K133 PolarHBondContact O-N 3.12Å; V131-G134 CarbonylContact O-C 3.55Å; V131-G134 WeakPolarHBondContact O-CA 3.34Å; V131-G134 PolarHBondContact O-N 3.42Å; V131-L135 PolarHBondContact O-N 3Å; V131-A147 WeakPolarHBondContact CG1-O 3.38Å; V131-K150 HydrophobicContact CG2-CB 4.41Å; V131-K150 HydrophobicContact CG2-CD 3.54Å; V131-K150 VanDerWaalsContact CG2-CE 3.48Å; V131-K150 HydrophobicContact CG2-CG 3.89Å; V131-A151 HydrophobicContact CG1-CB 3.71Å
132	V	85.9	Confident	78	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.4	-41.4	179	171.1	0	0	0	0	111.6	V95 L99 L128 G134 L135	V95-V132 HydrophobicContact CG1-CG1 3.79Å; V95-V132 HydrophobicContact CG1-CG2 4.28Å; L99-V132 HydrophobicContact CD2-CB 3.87Å; L99-V132 HydrophobicContact CD2-CG1 3.81Å; L99-V132 HydrophobicContact CD2-CG2 4.18Å; L128-V132 WeakPolarHBondContact O-CG2 3.33Å; L128-V132 PolarHBondContact O-N 3.32Å; V132-G134 PolarHBondContact O-N 2.89Å; V132-L135 WeakPolarHBondContact O-CB 3.34Å; V132-L135 PolarHBondContact O-N 2.82Å
133	K	83.1	Confident	76.5	Confident	122 Å²	122	64.1 Å²	64.1	53%	0.53	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.6	171	-70.9	170.2	-168.4	158.3	0	114	V129 D130 V131	V129-K133 HydrophobicContact CG1-CD 4.28Å; V129-K133 VanDerWaalsContact O-CG 3.27Å; V129-K133 WeakPolarHBondContact O-CG 3.39Å; V129-K133 PolarHBondContact O-N 3.45Å; V129-K133 VanDerWaalsContact O-N 3.1Å; D130-K133 IonicContact OD1-NZ 2.64Å; D130-K133 PolarHBondContact OD1-NZ 2.9Å; V131-K133 PolarHBondContact O-N 3.12Å
134	G	79.7	Confident	75.7	Confident	52 Å²	52	58.3 Å²	58.3	54%	0.536	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-4	179.8	0	0	0	0	0	114.4	D130 V131 V132	D130-G134 PolarHBondContact O-N 2.96Å; V131-G134 CarbonylContact O-C 3.55Å; V131-G134 WeakPolarHBondContact O-CA 3.34Å; V131-G134 PolarHBondContact O-N 3.42Å; V132-G134 PolarHBondContact O-N 2.89Å
135	L	81	Confident	74.8	Confident	10 Å²	10	58.2 Å²	58.2	5%	0.052	33%	0.329	C	S	.	.			trans	-72.3	133.9	173.5	-67.9	171.9	0	0	0	110.1	L66 V95 V131 V132 F137 A147 L148	L66-L135 HydrophobicContact CD2-CD1 3.92Å; V95-L135 HydrophobicContact CG1-CD1 4.4Å; V131-L135 PolarHBondContact O-N 3Å; V132-L135 WeakPolarHBondContact O-CB 3.34Å; V132-L135 PolarHBondContact O-N 2.82Å; L135-F137 HydrophobicContact CB-CD2 4.44Å; L135-F137 HydrophobicContact CB-CE1 4.31Å; L135-F137 HydrophobicContact CB-CE2 3.76Å; L135-F137 HydrophobicContact CB-CZ 3.69Å; L135-F137 HydrophobicContact CD1-CE1 4.38Å; L135-F137 HydrophobicContact CD1-CZ 4.03Å; L135-F137 WeakPolarHBondContact O-CD2 3.44Å; L135-F137 WeakPolarHBondContact O-CE2 3.46Å; L135-A147 HydrophobicContact CD2-CB 3.67Å; L135-L148 HydrophobicContact CD1-CD2 4.25Å; L135-L148 HydrophobicContact CD2-CD2 3.87Å; L135-L148 HydrophobicContact CD2-CG 4.08Å
136	K	74.3	Confident	74.4	Confident	103 Å²	103	61.2 Å²	61.2	45%	0.448	36%	0.355	S	S	.	.			trans	-91.4	122.3	167.3	-67.5	177.5	179.1	172.9	0	107.5	D138 E143 N144	K136-D138 VanDerWaalsContact C-N 3.29Å; K136-D138 PolarHBondContact O-N 2.73Å; K136-E143 IonicContact NZ-OE2 2.8Å; K136-E143 PolarHBondContact NZ-OE2 3.47Å; K136-N144 PolarHBondContact N-OD1 2.88Å; K136-N144 PolarHBondContact O-ND2 2.67Å; K136-N144 PolarHBondContact O-OD1 3.06Å
137	F	74.1	Confident	74.2	Confident	32 Å²	32	60.9 Å²	60.9	14%	0.14	35%	0.35	C	S	.	.			trans	-88.7	5.6	-175.8	-65.7	-87.3	0	0	0	113.6	D88 W91 S92 V95 H96 L135	D88-F137 WeakPolarHBondContact CB-O 3.31Å; W91-F137 AromaticContact CD2-CD1 3.9Å; W91-F137 HydrophobicContact CD2-CD1 3.9Å; W91-F137 HydrophobicContact CD2-CE1 4.28Å; W91-F137 HydrophobicContact CE3-CB 4.43Å; W91-F137 AromaticContact CE3-CD1 3.52Å; W91-F137 HydrophobicContact CE3-CD1 3.52Å; W91-F137 HydrophobicContact CE3-CE1 4.25Å; W91-F137 HydrophobicContact CE3-CG 4.41Å; W91-F137 HydrophobicContact CH2-CD1 4.36Å; W91-F137 AromaticContact CZ3-CD1 3.77Å; W91-F137 HydrophobicContact CZ3-CD1 3.77Å; W91-F137 HydrophobicContact CZ3-CE1 4.35Å; S92-F137 VanDerWaalsContact CA-CD1 3.42Å; V95-F137 HydrophobicContact CB-CE1 4.19Å; V95-F137 HydrophobicContact CG1-CZ 4.49Å; V95-F137 HydrophobicContact CG2-CE1 4.3Å; H96-F137 AromaticContact CE1-CE2 3.63Å; H96-F137 AromaticContact CE1-CZ 3.74Å; L135-F137 HydrophobicContact CB-CD2 4.44Å; L135-F137 HydrophobicContact CB-CE1 4.31Å; L135-F137 HydrophobicContact CB-CE2 3.76Å; L135-F137 HydrophobicContact CB-CZ 3.69Å; L135-F137 HydrophobicContact CD1-CE1 4.38Å; L135-F137 HydrophobicContact CD1-CZ 4.03Å; L135-F137 WeakPolarHBondContact O-CD2 3.44Å; L135-F137 WeakPolarHBondContact O-CE2 3.46Å
138	D	64.9	Low	74	Confident	112 Å²	112	61.2 Å²	61.2	60%	0.599	35%	0.348	S	S	*	.	S	Bend	trans	-65	138.6	167.8	-66.4	-55.4	0	0	0	111.5	D88 K136	D88-D138 WeakPolarHBondContact OD2-CA 3.38Å; K136-D138 VanDerWaalsContact C-N 3.29Å; K136-D138 PolarHBondContact O-N 2.73Å
139	H	51.3	Low	73.8	Confident	120 Å²	120	67.9 Å²	67.9	56%	0.556	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	143.8	168.9	-128.6	-79	0	0	0	112.6	D88 A141	D88-H139 IonicContact OD1-CD2 2.65Å; D88-H139 PolarHBondContact OD1-CD2 3.1Å; D88-H139 IonicContact OD1-CG 3.36Å; D88-H139 PolarHBondContact OD1-N 3.33Å; D88-H139 PolarHBondContact OD2-N 3.15Å; H139-A141 PolarHBondContact O-N 3.25Å
140	D	53.1	Low	73.6	Confident	144 Å²	144	72.6 Å²	72.6	77%	0.77	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	21.7	172.7	-60.2	-0.8	0	0	0	117.8	P142	D140-P142 WeakPolarHBondContact O-CD 3.46Å
141	A	53.2	Low	73.6	Confident	25 Å²	25	67.9 Å²	67.9	21%	0.207	37%	0.371	C	S	.	.			trans	-76.1	106.8	171.5	0	0	0	0	0	113.2	H139 E143 N144	H139-A141 PolarHBondContact O-N 3.25Å; A141-E143 PolarHBondContact O-N 2.69Å; A141-E143 VanDerWaalsContact O-N 3.16Å; A141-N144 WeakPolarHBondContact O-CB 3.47Å; A141-N144 PolarHBondContact O-N 2.78Å
142	P	56.8	Low	73.7	Confident	113 Å²	113	69.8 Å²	69.8	73%	0.734	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-19.4	-177.9	29	-36.8	0	0	0	113.7	D140 N144 S145	D140-P142 WeakPolarHBondContact O-CD 3.46Å; P142-N144 PolarHBondContact O-N 2.86Å; P142-S145 PolarHBondContact O-N 3.19Å
143	E	58.7	Low	73.7	Confident	123 Å²	123	71.6 Å²	71.6	58%	0.575	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.3	176.3	-60.3	-177.2	153.7	0	0	112.2	K136 A141 S145 A146	K136-E143 IonicContact NZ-OE2 2.8Å; K136-E143 PolarHBondContact NZ-OE2 3.47Å; A141-E143 PolarHBondContact O-N 2.69Å; A141-E143 VanDerWaalsContact O-N 3.16Å; E143-S145 PolarHBondContact O-N 3.2Å; E143-A146 PolarHBondContact O-N 3.47Å
144	N	69.9	Low	74	Confident	14 Å²	14	66.4 Å²	66.4	8%	0.075	37%	0.372	C	S	.	.	H	α-helix	trans	-61.6	-26.4	179.8	-74.8	-18.5	0	0	0	113.1	K136 A141 P142 A146 A147 L148	K136-N144 PolarHBondContact N-OD1 2.88Å; K136-N144 PolarHBondContact O-ND2 2.67Å; K136-N144 PolarHBondContact O-OD1 3.06Å; A141-N144 WeakPolarHBondContact O-CB 3.47Å; A141-N144 PolarHBondContact O-N 2.78Å; P142-N144 PolarHBondContact O-N 2.86Å; N144-A146 PolarHBondContact O-N 3.33Å; N144-A147 PolarHBondContact O-N 2.65Å; N144-A147 VanDerWaalsContact O-N 3.1Å; N144-L148 HydrophobicContact CB-CD1 4.36Å; N144-L148 WeakPolarHBondContact O-CB 3.41Å; N144-L148 WeakPolarHBondContact O-CG 3.39Å; N144-L148 PolarHBondContact O-N 2.78Å
145	S	72.7	Confident	74.4	Confident	60 Å²	60	64.2 Å²	64.2	42%	0.42	35%	0.349	S	S	.	.	H	α-helix	trans	-61.7	-29.8	-178.6	-166.9	0	0	0	0	113	P142 E143 K149	P142-S145 PolarHBondContact O-N 3.19Å; E143-S145 PolarHBondContact O-N 3.2Å; S145-K149 VanDerWaalsContact O-CD 3.25Å; S145-K149 WeakPolarHBondContact O-CD 3.06Å; S145-K149 VanDerWaalsContact O-CG 3.24Å; S145-K149 WeakPolarHBondContact O-CG 3.1Å; S145-K149 PolarHBondContact OG-NZ 3.21Å
146	A	79.7	Confident	74.6	Confident	73 Å²	73	66.9 Å²	66.9	60%	0.603	36%	0.36	S	S	*	.	H	α-helix	trans	-80.4	-38.3	174.6	0	0	0	0	0	112	E143 N144 K150	E143-A146 PolarHBondContact O-N 3.47Å; N144-A146 PolarHBondContact O-N 3.33Å; A146-K150 PolarHBondContact O-N 3.43Å; A146-K150 VanDerWaalsContact O-N 3.1Å
147	A	81.7	Confident	75.3	Confident	23 Å²	23	64.9 Å²	64.9	19%	0.19	36%	0.355	C	S	.	.	H	α-helix	trans	-66.7	-47	178.4	0	0	0	0	0	112.1	V131 L135 N144 K150 A151	V131-A147 WeakPolarHBondContact CG1-O 3.38Å; L135-A147 HydrophobicContact CD2-CB 3.67Å; N144-A147 PolarHBondContact O-N 2.65Å; N144-A147 VanDerWaalsContact O-N 3.1Å; A147-K150 CarbonylContact O-C 3.57Å; A147-K150 WeakPolarHBondContact O-CB 3.15Å; A147-K150 PolarHBondContact O-N 2.96Å; A147-K150 VanDerWaalsContact O-N 3.15Å; A147-A151 PolarHBondContact O-N 3.4Å
148	L	84.1	Confident	76	Confident	35 Å²	35	63.3 Å²	63.3	18%	0.183	35%	0.348	C	S	.	.	H	α-helix	trans	-61	-47.5	176.9	-67.3	169.6	0	0	0	111.4	L66 W91 L135 N144 K150 A151 H152	L66-L148 HydrophobicContact CB-CD2 4.16Å; L66-L148 HydrophobicContact CD2-CD2 3.8Å; W91-L148 HydrophobicContact CZ2-CD2 4.34Å; L135-L148 HydrophobicContact CD1-CD2 4.25Å; L135-L148 HydrophobicContact CD2-CD2 3.87Å; L135-L148 HydrophobicContact CD2-CG 4.08Å; N144-L148 HydrophobicContact CB-CD1 4.36Å; N144-L148 WeakPolarHBondContact O-CB 3.41Å; N144-L148 WeakPolarHBondContact O-CG 3.39Å; N144-L148 PolarHBondContact O-N 2.78Å; L148-K150 PolarHBondContact O-N 3.43Å; L148-A151 WeakPolarHBondContact O-CA 3.36Å; L148-A151 VanDerWaalsContact O-CB 3.26Å; L148-A151 WeakPolarHBondContact O-CB 3.37Å; L148-A151 PolarHBondContact O-N 3.37Å; L148-H152 PolarHBondContact O-CD2 3.37Å; L148-H152 PolarHBondContact O-N 3.15Å
149	K	83.9	Confident	77	Confident	141 Å²	141	58.6 Å²	58.6	61%	0.613	32%	0.322	S	S	*	.	H	α-helix	trans	-56.7	-38	174.1	-75.1	170.8	-173.9	142.4	0	112.8	S145 A153	S145-K149 VanDerWaalsContact O-CD 3.25Å; S145-K149 WeakPolarHBondContact O-CD 3.06Å; S145-K149 VanDerWaalsContact O-CG 3.24Å; S145-K149 WeakPolarHBondContact O-CG 3.1Å; S145-K149 PolarHBondContact OG-NZ 3.21Å; K149-A153 WeakPolarHBondContact O-CB 3.44Å; K149-A153 PolarHBondContact O-N 3.03Å
150	K	85.9	Confident	78.6	Confident	116 Å²	116	55.7 Å²	55.7	50%	0.504	31%	0.31	S	S	.	.	H	α-helix	trans	-67.9	-38.5	172.7	-171.2	-176.7	165.4	-157.9	0	111.6	V131 A146 A147 L148 A153 T154	V131-K150 HydrophobicContact CG2-CB 4.41Å; V131-K150 HydrophobicContact CG2-CD 3.54Å; V131-K150 VanDerWaalsContact CG2-CE 3.48Å; V131-K150 HydrophobicContact CG2-CG 3.89Å; A146-K150 PolarHBondContact O-N 3.43Å; A146-K150 VanDerWaalsContact O-N 3.1Å; A147-K150 CarbonylContact O-C 3.57Å; A147-K150 WeakPolarHBondContact O-CB 3.15Å; A147-K150 PolarHBondContact O-N 2.96Å; A147-K150 VanDerWaalsContact O-N 3.15Å; L148-K150 PolarHBondContact O-N 3.43Å; K150-A153 PolarHBondContact O-N 3.27Å; K150-T154 PolarHBondContact O-N 3.16Å; K150-T154 PolarHBondContact O-OG1 3.22Å; K150-T154 VanDerWaalsContact O-OG1 3.04Å
151	A	86.3	Confident	80.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.6	-53.2	177.7	0	0	0	0	0	111.9	L66 V131 A147 L148 A153 T154 L155	L66-A151 HydrophobicContact CD1-CB 3.81Å; L66-A151 HydrophobicContact CD2-CB 4.25Å; V131-A151 HydrophobicContact CG1-CB 3.71Å; A147-A151 PolarHBondContact O-N 3.4Å; L148-A151 WeakPolarHBondContact O-CA 3.36Å; L148-A151 VanDerWaalsContact O-CB 3.26Å; L148-A151 WeakPolarHBondContact O-CB 3.37Å; L148-A151 PolarHBondContact O-N 3.37Å; A151-A153 VanDerWaalsContact C-N 3.32Å; A151-A153 PolarHBondContact O-N 3.21Å; A151-T154 WeakPolarHBondContact CA-OG1 3.27Å; A151-T154 PolarHBondContact O-N 2.96Å; A151-T154 VanDerWaalsContact O-N 3.15Å; A151-T154 PolarHBondContact O-OG1 3.15Å; A151-L155 WeakPolarHBondContact O-CB 3.21Å; A151-L155 PolarHBondContact O-N 3.15Å
152	H	86.6	Confident	81.8	Confident	47 Å²	47	47.9 Å²	47.9	22%	0.218	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-41.6	176.8	-60	-81.3	0	0	0	111.3	S63 D67 L148 T154 L155 E156	S63-H152 PolarHBondContact OG-CE1 3.22Å; S63-H152 PolarHBondContact OG-ND1 3.33Å; S63-H152 VanDerWaalsContact OG-ND1 3.08Å; D67-H152 IonicContact OD1-CE1 3.98Å; D67-H152 PolarHBondContact OD1-CE1 3.3Å; D67-H152 IonicContact OD1-NE2 2.88Å; D67-H152 IonicContact OD2-CE1 2.67Å; D67-H152 PolarHBondContact OD2-CE1 3.21Å; L148-H152 PolarHBondContact O-CD2 3.37Å; L148-H152 PolarHBondContact O-N 3.15Å; H152-T154 PolarHBondContact O-N 3.26Å; H152-L155 PolarHBondContact O-N 3.14Å; H152-E156 WeakPolarHBondContact O-CB 3.37Å; H152-E156 PolarHBondContact O-N 3.11Å
153	A	86.8	Confident	82.9	Confident	39 Å²	39	42.6 Å²	42.6	32%	0.322	23%	0.232	S	C	.	.	H	α-helix	trans	-63.3	-38.2	175.2	0	0	0	0	0	113.1	K149 K150 A151 N157	K149-A153 WeakPolarHBondContact O-CB 3.44Å; K149-A153 PolarHBondContact O-N 3.03Å; K150-A153 PolarHBondContact O-N 3.27Å; A151-A153 VanDerWaalsContact C-N 3.32Å; A151-A153 PolarHBondContact O-N 3.21Å; A153-N157 WeakPolarHBondContact O-CB 3Å; A153-N157 VanDerWaalsContact O-CG 3.3Å; A153-N157 PolarHBondContact O-N 2.93Å; A153-N157 PolarHBondContact O-ND2 3.07Å
154	T	88.7	Confident	84	Confident	12 Å²	12	42.6 Å²	42.6	7%	0.074	23%	0.232	C	C	.	.	H	α-helix	trans	-69.7	-32.1	173.2	46.4	0	0	0	0	112.9	A127 K150 A151 H152 L158	A127-T154 HydrophobicContact CB-CG2 3.77Å; K150-T154 PolarHBondContact O-N 3.16Å; K150-T154 PolarHBondContact O-OG1 3.22Å; K150-T154 VanDerWaalsContact O-OG1 3.04Å; A151-T154 WeakPolarHBondContact CA-OG1 3.27Å; A151-T154 PolarHBondContact O-N 2.96Å; A151-T154 VanDerWaalsContact O-N 3.15Å; A151-T154 PolarHBondContact O-OG1 3.15Å; H152-T154 PolarHBondContact O-N 3.26Å; T154-L158 WeakPolarHBondContact O-CB 3.17Å; T154-L158 PolarHBondContact O-N 2.9Å
155	L	88.9	Confident	84.7	Confident	7 Å²	7	42.8 Å²	42.8	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-72.8	-41	178.4	-169.7	154.2	0	0	0	111.3	L59 L62 L66 A151 H152 L158 Q159	L59-L155 HydrophobicContact CB-CD2 4.42Å; L59-L155 HydrophobicContact CD2-CG 4.24Å; L62-L155 HydrophobicContact CB-CD1 4.1Å; L62-L155 HydrophobicContact CD2-CD1 4.04Å; L62-L155 HydrophobicContact CG-CD1 3.91Å; L66-L155 HydrophobicContact CD1-CD1 4.49Å; A151-L155 WeakPolarHBondContact O-CB 3.21Å; A151-L155 PolarHBondContact O-N 3.15Å; H152-L155 PolarHBondContact O-N 3.14Å; L155-L158 PolarHBondContact O-N 3.29Å; L155-Q159 HydrophobicContact CD2-CG 4.47Å; L155-Q159 WeakPolarHBondContact O-CG 3.44Å; L155-Q159 PolarHBondContact O-N 3.35Å
156	E	85	Confident	85	Confident	65 Å²	65	40.4 Å²	40.4	30%	0.304	22%	0.217	S	C	.	.	H	α-helix	trans	-63.4	-47	172.3	179.5	172.4	-117	0	0	111.7	H152 L158 Q159 I160 S835	H152-E156 WeakPolarHBondContact O-CB 3.37Å; H152-E156 PolarHBondContact O-N 3.11Å; E156-L158 VanDerWaalsContact C-N 3.31Å; E156-L158 PolarHBondContact O-N 3.2Å; E156-Q159 WeakPolarHBondContact O-CB 3.47Å; E156-Q159 PolarHBondContact O-N 2.88Å; E156-I160 HydrophobicContact CG-CD1 4.16Å; E156-I160 WeakPolarHBondContact O-CG1 3.17Å; E156-I160 PolarHBondContact O-N 2.96Å; E156-S835 VanDerWaalsContact OE1-CA 3.24Å; E156-S835 WeakPolarHBondContact OE1-CA 3.34Å; E156-S835 WeakPolarHBondContact OE1-CB 3.47Å; E156-S835 PolarHBondContact OE1-OG 3.11Å
157	N	88.2	Confident	84.6	Confident	61 Å²	61	37.7 Å²	37.7	33%	0.326	20%	0.196	S	C	.	.	H	α-helix	trans	-61.9	-37.2	174.9	-75.3	-49.9	0	0	0	112.4	Y124 A153 I160 A161	Y124-N157 HydrophobicContact CD1-CB 3.9Å; Y124-N157 HydrophobicContact CD2-CB 4Å; Y124-N157 HydrophobicContact CE1-CB 3.71Å; Y124-N157 HydrophobicContact CE2-CB 3.8Å; Y124-N157 HydrophobicContact CG-CB 4.06Å; A153-N157 WeakPolarHBondContact O-CB 3Å; A153-N157 VanDerWaalsContact O-CG 3.3Å; A153-N157 PolarHBondContact O-N 2.93Å; A153-N157 PolarHBondContact O-ND2 3.07Å; N157-I160 PolarHBondContact O-N 3.18Å; N157-A161 WeakPolarHBondContact O-CB 3.49Å; N157-A161 PolarHBondContact O-N 2.91Å
158	L	90	Very high	84.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.2	-42.5	173.5	-179.8	58.2	0	0	0	112	L59 L106 I121 I125 L128 T154 L155 E156 I160 A161 V162	L59-L158 HydrophobicContact CD2-CD2 3.94Å; L106-L158 HydrophobicContact CD2-CD1 4.11Å; L106-L158 HydrophobicContact CD2-CD2 4.18Å; I121-L158 HydrophobicContact CB-CD1 4.45Å; I121-L158 HydrophobicContact CG2-CD1 4.09Å; I125-L158 HydrophobicContact CG1-CD1 4.33Å; I125-L158 HydrophobicContact CG1-CD2 4.45Å; L128-L158 HydrophobicContact CD2-CD2 4.29Å; T154-L158 WeakPolarHBondContact O-CB 3.17Å; T154-L158 PolarHBondContact O-N 2.9Å; L155-L158 PolarHBondContact O-N 3.29Å; E156-L158 VanDerWaalsContact C-N 3.31Å; E156-L158 PolarHBondContact O-N 3.2Å; L158-I160 VanDerWaalsContact C-N 3.33Å; L158-I160 PolarHBondContact O-N 2.78Å; L158-A161 PolarHBondContact O-N 3.16Å; L158-V162 HydrophobicContact CD1-CG2 4.27Å; L158-V162 VanDerWaalsContact O-CG2 3.31Å; L158-V162 WeakPolarHBondContact O-CG2 3.34Å; L158-V162 PolarHBondContact O-N 2.81Å; L158-V162 VanDerWaalsContact O-N 3.07Å
159	Q	86	Confident	83.7	Confident	13 Å²	13	44.4 Å²	44.4	6%	0.061	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-41	173.5	-73.7	173.5	-8.9	0	0	111.8	L59 L155 E156 A163	L59-Q159 HydrophobicContact CB-CG 4.46Å; L59-Q159 HydrophobicContact CD1-CG 3.81Å; L155-Q159 HydrophobicContact CD2-CG 4.47Å; L155-Q159 WeakPolarHBondContact O-CG 3.44Å; L155-Q159 PolarHBondContact O-N 3.35Å; E156-Q159 WeakPolarHBondContact O-CB 3.47Å; E156-Q159 PolarHBondContact O-N 2.88Å; Q159-A163 VanDerWaalsContact O-CB 3.23Å; Q159-A163 WeakPolarHBondContact O-CB 3.35Å; Q159-A163 PolarHBondContact O-N 3.35Å
160	I	84.8	Confident	82.8	Confident	58 Å²	58	39.6 Å²	39.6	30%	0.297	20%	0.202	S	C	.	.	H	α-helix	trans	-64.8	-50	176.7	-67.2	164.9	0	0	0	110.8	E156 N157 L158 V162 A163 E164	E156-I160 HydrophobicContact CG-CD1 4.16Å; E156-I160 WeakPolarHBondContact O-CG1 3.17Å; E156-I160 PolarHBondContact O-N 2.96Å; N157-I160 PolarHBondContact O-N 3.18Å; L158-I160 VanDerWaalsContact C-N 3.33Å; L158-I160 PolarHBondContact O-N 2.78Å; I160-V162 VanDerWaalsContact C-N 3.31Å; I160-V162 PolarHBondContact O-N 3.21Å; I160-A163 CarbonylContact O-C 3.59Å; I160-A163 WeakPolarHBondContact O-CA 3.47Å; I160-A163 WeakPolarHBondContact O-CB 3.16Å; I160-A163 PolarHBondContact O-N 3.24Å; I160-E164 HydrophobicContact CG2-CG 4.31Å; I160-E164 WeakPolarHBondContact O-CG 3.47Å; I160-E164 PolarHBondContact O-N 3.48Å
161	A	87.2	Confident	81.7	Confident	6 Å²	6	38 Å²	38	5%	0.05	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-38.4	-179.4	0	0	0	0	0	112.8	D120 I121 Y124 N157 L158 C165	D120-A161 HydrophobicContact CB-CB 4.21Å; I121-A161 HydrophobicContact CG1-CB 3.89Å; Y124-A161 HydrophobicContact CD2-CB 4.02Å; Y124-A161 HydrophobicContact CE2-CB 4.02Å; N157-A161 WeakPolarHBondContact O-CB 3.49Å; N157-A161 PolarHBondContact O-N 2.91Å; L158-A161 PolarHBondContact O-N 3.16Å; A161-C165 WeakPolarHBondContact O-CB 3.36Å; A161-C165 PolarHBondContact O-N 3.1Å; A161-C165 PolarHBondContact O-SG 3.05Å
162	V	86.3	Confident	80.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-69.2	-41.1	173.1	178.2	0	0	0	0	111.2	L55 L116 I121 L158 I160 E164 C165 V166 F839	L55-V162 HydrophobicContact CD2-CG1 3.84Å; L55-V162 HydrophobicContact CD2-CG2 4.3Å; L116-V162 HydrophobicContact CD2-CG1 4.26Å; I121-V162 HydrophobicContact CD1-CG2 3.86Å; I121-V162 HydrophobicContact CG1-CG2 4.03Å; L158-V162 HydrophobicContact CD1-CG2 4.27Å; L158-V162 VanDerWaalsContact O-CG2 3.31Å; L158-V162 WeakPolarHBondContact O-CG2 3.34Å; L158-V162 PolarHBondContact O-N 2.81Å; L158-V162 VanDerWaalsContact O-N 3.07Å; I160-V162 VanDerWaalsContact C-N 3.31Å; I160-V162 PolarHBondContact O-N 3.21Å; V162-E164 VanDerWaalsContact C-N 3.34Å; V162-E164 PolarHBondContact O-N 3.44Å; V162-C165 PolarHBondContact O-N 3.47Å; V162-V166 HydrophobicContact CG1-CG2 4.45Å; V162-V166 WeakPolarHBondContact O-CB 3.46Å; V162-V166 WeakPolarHBondContact O-CG2 3.05Å; V162-V166 PolarHBondContact O-N 3.22Å; V162-F839 HydrophobicContact CB-CE2 4.33Å; V162-F839 HydrophobicContact CG1-CE2 3.69Å; V162-F839 HydrophobicContact CG1-CZ 3.92Å
163	A	80	Confident	78.7	Confident	2 Å²	2	45 Å²	45	2%	0.017	23%	0.228	C	C	.	.	H	α-helix	trans	-60.2	-42	175.7	0	0	0	0	0	112.3	Q159 I160 G167 T838 F839 L842	Q159-A163 VanDerWaalsContact O-CB 3.23Å; Q159-A163 WeakPolarHBondContact O-CB 3.35Å; Q159-A163 PolarHBondContact O-N 3.35Å; I160-A163 CarbonylContact O-C 3.59Å; I160-A163 WeakPolarHBondContact O-CA 3.47Å; I160-A163 WeakPolarHBondContact O-CB 3.16Å; I160-A163 PolarHBondContact O-N 3.24Å; A163-G167 PolarHBondContact O-N 3.37Å; A163-T838 HydrophobicContact CB-CG2 4.21Å; A163-F839 HydrophobicContact CB-CB 4.18Å; A163-F839 HydrophobicContact CB-CD2 3.77Å; A163-F839 HydrophobicContact CB-CG 4.45Å; A163-L842 HydrophobicContact CB-CD1 3.91Å; A163-L842 WeakPolarHBondContact O-CD1 3.41Å
164	E	81.6	Confident	76.3	Confident	123 Å²	123	48.7 Å²	48.7	58%	0.575	24%	0.24	S	C	*	.	H	α-helix	trans	-66.8	-47.6	176.7	-71	180	148	0	0	111.2	I160 V162 V166 G167 E168	I160-E164 HydrophobicContact CG2-CG 4.31Å; I160-E164 WeakPolarHBondContact O-CG 3.47Å; I160-E164 PolarHBondContact O-N 3.48Å; V162-E164 VanDerWaalsContact C-N 3.34Å; V162-E164 PolarHBondContact O-N 3.44Å; E164-V166 VanDerWaalsContact C-N 3.31Å; E164-V166 PolarHBondContact O-N 3.38Å; E164-G167 PolarHBondContact O-N 3.09Å; E164-G167 VanDerWaalsContact O-N 3.11Å; E164-E168 PolarHBondContact O-N 2.85Å
165	C	84.4	Confident	73.9	Confident	18 Å²	18	52 Å²	52	12%	0.122	26%	0.26	C	S	.	.	H	α-helix	trans	-59.1	-39.7	176.5	-67.3	0	0	0	0	112.6	F115 L116 I121 A161 V162 Y169	F115-C165 HydrophobicContact CD2-CB 4.27Å; F115-C165 WeakPolarHBondContact CD2-O 3.44Å; L116-C165 HydrophobicContact CD2-CB 3.91Å; I121-C165 HydrophobicContact CD1-CB 4.37Å; A161-C165 WeakPolarHBondContact O-CB 3.36Å; A161-C165 PolarHBondContact O-N 3.1Å; A161-C165 PolarHBondContact O-SG 3.05Å; V162-C165 PolarHBondContact O-N 3.47Å; C165-Y169 WeakPolarHBondContact O-CB 3.31Å; C165-Y169 PolarHBondContact O-N 3.47Å
166	V	80	Confident	71.6	Confident	9 Å²	9	56.6 Å²	56.6	6%	0.055	28%	0.281	C	S	.	.	H	α-helix	trans	-70.3	-41.4	174.2	173.1	0	0	0	0	111	V52 F115 L116 V162 E164 Y169 L170	V52-V166 HydrophobicContact CG1-CG2 4.39Å; V52-V166 HydrophobicContact CG2-CG2 4.01Å; F115-V166 HydrophobicContact CE2-CG2 3.97Å; F115-V166 HydrophobicContact CZ-CG2 4.47Å; L116-V166 HydrophobicContact CD2-CG2 4.14Å; V162-V166 HydrophobicContact CG1-CG2 4.45Å; V162-V166 WeakPolarHBondContact O-CB 3.46Å; V162-V166 WeakPolarHBondContact O-CG2 3.05Å; V162-V166 PolarHBondContact O-N 3.22Å; E164-V166 VanDerWaalsContact C-N 3.31Å; E164-V166 PolarHBondContact O-N 3.38Å; V166-Y169 PolarHBondContact O-N 2.98Å; V166-L170 HydrophobicContact CG1-CD1 3.74Å; V166-L170 HydrophobicContact CG1-CG 4.14Å; V166-L170 WeakPolarHBondContact O-CB 3.39Å; V166-L170 VanDerWaalsContact O-CG 3.24Å; V166-L170 WeakPolarHBondContact O-CG 3.3Å; V166-L170 PolarHBondContact O-N 2.85Å
167	G	69.3	Low	69.1	Low	17 Å²	17	61.8 Å²	61.8	18%	0.175	30%	0.299	C	S	.	.	H	α-helix	trans	-62.9	-42.1	177.7	0	0	0	0	0	113.4	A163 E164 T171	A163-G167 PolarHBondContact O-N 3.37Å; E164-G167 PolarHBondContact O-N 3.09Å; E164-G167 VanDerWaalsContact O-N 3.11Å; G167-T171 WeakPolarHBondContact O-CB 3.21Å; G167-T171 WeakPolarHBondContact O-CG2 3.24Å; G167-T171 PolarHBondContact O-N 3.44Å; G167-T171 PolarHBondContact O-OG1 3.4Å
168	E	72.3	Confident	66.5	Low	146 Å²	146	64.9 Å²	64.9	68%	0.682	31%	0.311	S	S	*	.	H	α-helix	trans	-62.6	-43.8	172.9	-72.1	-160.3	155.3	0	0	111.4	E164 T171 W172	E164-E168 PolarHBondContact O-N 2.85Å; E168-T171 PolarHBondContact O-OG1 2.83Å; E168-W172 VanDerWaalsContact O-CB 3.23Å; E168-W172 WeakPolarHBondContact O-CB 3.41Å; E168-W172 PolarHBondContact O-N 3.36Å
169	Y	75	Confident	63.6	Low	53 Å²	53	69.6 Å²	69.6	21%	0.208	34%	0.344	C	S	.	.	H	α-helix	trans	-60.9	-50.8	177	-174.5	-92.8	0	0	0	112.1	L48 F115 C165 V166 T171 W172 E173	L48-Y169 HydrophobicContact CD2-CD1 4.01Å; L48-Y169 HydrophobicContact CD2-CE1 4.24Å; F115-Y169 HydrophobicContact CB-CD2 4.2Å; F115-Y169 HydrophobicContact CD1-CD1 4.39Å; F115-Y169 AromaticContact CD1-CD2 3.13Å; F115-Y169 HydrophobicContact CD1-CD2 3.13Å; F115-Y169 AromaticContact CD1-CE2 3.55Å; F115-Y169 HydrophobicContact CD1-CE2 3.55Å; F115-Y169 AromaticContact CD1-CG 3.61Å; F115-Y169 HydrophobicContact CD1-CG 3.61Å; F115-Y169 HydrophobicContact CD2-CD2 4.37Å; F115-Y169 HydrophobicContact CD2-CG 4.29Å; F115-Y169 AromaticContact CE1-CD1 3.8Å; F115-Y169 HydrophobicContact CE1-CD1 3.8Å; F115-Y169 AromaticContact CE1-CD2 3.4Å; F115-Y169 HydrophobicContact CE1-CD2 3.4Å; F115-Y169 VanDerWaalsContact CE1-CD2 3.4Å; F115-Y169 HydrophobicContact CE1-CE1 4.14Å; F115-Y169 AromaticContact CE1-CE2 3.74Å; F115-Y169 HydrophobicContact CE1-CE2 3.74Å; F115-Y169 AromaticContact CE1-CG 3.43Å; F115-Y169 HydrophobicContact CE1-CG 3.43Å; F115-Y169 VanDerWaalsContact CE1-CG 3.43Å; F115-Y169 HydrophobicContact CE2-CG 4.17Å; F115-Y169 AromaticContact CG-CD2 3.66Å; F115-Y169 HydrophobicContact CG-CD2 3.66Å; F115-Y169 HydrophobicContact CG-CE2 4.46Å; F115-Y169 HydrophobicContact CG-CG 4.03Å; F115-Y169 HydrophobicContact CZ-CD1 4.04Å; F115-Y169 HydrophobicContact CZ-CD2 4.15Å; F115-Y169 AromaticContact CZ-CG 3.73Å; F115-Y169 HydrophobicContact CZ-CG 3.73Å; C165-Y169 WeakPolarHBondContact O-CB 3.31Å; C165-Y169 PolarHBondContact O-N 3.47Å; V166-Y169 PolarHBondContact O-N 2.98Å; Y169-T171 PolarHBondContact O-N 3.24Å; Y169-W172 PolarHBondContact O-N 2.83Å; Y169-E173 HydrophobicContact CD1-CG 4.42Å; Y169-E173 HydrophobicContact CE1-CG 3.89Å; Y169-E173 WeakPolarHBondContact CE1-OE1 3.3Å; Y169-E173 PolarHBondContact O-N 3.21Å; Y169-E173 PolarHBondContact OH-OE1 3.17Å
170	L	66.5	Low	61	Low	40 Å²	40	72.6 Å²	72.6	21%	0.209	37%	0.367	C	S	.	.	H	α-helix	trans	-63.5	-39.9	-179.4	-68.6	176.1	0	0	0	112.5	M45 V166 M174	M45-L170 HydrophobicContact CE-CD2 3.36Å; M45-L170 HydrophobicContact SD-CD2 3.42Å; M45-L170 WeakPolarHBondContact SD-CD2 3.28Å; V166-L170 HydrophobicContact CG1-CD1 3.74Å; V166-L170 HydrophobicContact CG1-CG 4.14Å; V166-L170 WeakPolarHBondContact O-CB 3.39Å; V166-L170 VanDerWaalsContact O-CG 3.24Å; V166-L170 WeakPolarHBondContact O-CG 3.3Å; V166-L170 PolarHBondContact O-N 2.85Å; L170-M174 WeakPolarHBondContact O-CB 3.19Å; L170-M174 WeakPolarHBondContact O-CG 3.32Å; L170-M174 PolarHBondContact O-N 2.82Å
171	T	61.2	Low	58.4	Low	81 Å²	81	72.4 Å²	72.4	50%	0.497	37%	0.374	S	S	.	.	H	α-helix	trans	-72.4	-31.1	176.7	53	0	0	0	0	112.5	G167 E168 Y169 T175	G167-T171 WeakPolarHBondContact O-CB 3.21Å; G167-T171 WeakPolarHBondContact O-CG2 3.24Å; G167-T171 PolarHBondContact O-N 3.44Å; G167-T171 PolarHBondContact O-OG1 3.4Å; E168-T171 PolarHBondContact O-OG1 2.83Å; Y169-T171 PolarHBondContact O-N 3.24Å; T171-T175 WeakPolarHBondContact O-CB 3.14Å; T171-T175 WeakPolarHBondContact O-CG2 3.22Å; T171-T175 PolarHBondContact O-N 2.98Å; T171-T175 PolarHBondContact O-OG1 3.31Å
172	W	59	Low	55.7	Low	155 Å²	155	77 Å²	77	59%	0.587	41%	0.406	S	S	*	.	H	α-helix	trans	-67.5	-45.4	172.4	-171.2	82.4	0	0	0	112	E168 Y169 T175 H176	E168-W172 VanDerWaalsContact O-CB 3.23Å; E168-W172 WeakPolarHBondContact O-CB 3.41Å; E168-W172 PolarHBondContact O-N 3.36Å; Y169-W172 PolarHBondContact O-N 2.83Å; W172-T175 PolarHBondContact O-N 3.09Å; W172-T175 PolarHBondContact O-OG1 3.28Å; W172-H176 AromaticContact CD2-CD2 3.84Å; W172-H176 AromaticContact CE2-CD2 3.45Å; W172-H176 VanDerWaalsContact CE2-CD2 3.45Å; W172-H176 AromaticContact CE2-NE2 3.53Å; W172-H176 AromaticContact CZ2-CD2 3.59Å; W172-H176 AromaticContact CZ2-NE2 3.42Å; W172-H176 WeakPolarHBondContact CZ2-NE2 3.24Å; W172-H176 AromaticContact NE1-CD2 3.73Å; W172-H176 AromaticContact NE1-NE2 3.64Å; W172-H176 PolarHBondContact O-CD2 3.22Å; W172-H176 PolarHBondContact O-N 3.16Å; W172-H176 VanDerWaalsContact O-N 3.1Å
173	E	51.8	Low	53	Low	41 Å²	41	84.6 Å²	84.6	19%	0.192	44%	0.439	C	S	.	.	H	α-helix	trans	-61.2	-48.9	172.4	-75.7	-167.1	157.7	0	0	111.7	Y169 T175 H176 Y177	Y169-E173 HydrophobicContact CD1-CG 4.42Å; Y169-E173 HydrophobicContact CE1-CG 3.89Å; Y169-E173 WeakPolarHBondContact CE1-OE1 3.3Å; Y169-E173 PolarHBondContact O-N 3.21Å; Y169-E173 PolarHBondContact OH-OE1 3.17Å; E173-T175 PolarHBondContact O-N 2.84Å; E173-H176 PolarHBondContact O-N 2.77Å; E173-Y177 PolarHBondContact O-N 2.88Å
174	M	37.4	Very low	50.4	Low	116 Å²	116	90.6 Å²	90.6	57%	0.571	47%	0.468	S	S	*	.	H	α-helix	trans	-57.5	-43.7	178.5	-81.4	176.3	54	0	0	112.7	L170 Y177 E178	L170-M174 WeakPolarHBondContact O-CB 3.19Å; L170-M174 WeakPolarHBondContact O-CG 3.32Å; L170-M174 PolarHBondContact O-N 2.82Å; M174-Y177 CarbonylContact O-C 3.46Å; M174-Y177 WeakPolarHBondContact O-CA 3.48Å; M174-Y177 WeakPolarHBondContact O-CB 3.48Å; M174-Y177 PolarHBondContact O-N 2.83Å; M174-Y177 VanDerWaalsContact O-N 3.13Å; M174-E178 PolarHBondContact O-N 3.14Å
175	T	38.2	Very low	47.7	Very low	80 Å²	80	90 Å²	90	49%	0.491	48%	0.477	S	S	.	.	H	α-helix	trans	-71.5	-30.8	-179.8	50.5	0	0	0	0	112.9	T171 W172 E173 Y177 S179	T171-T175 WeakPolarHBondContact O-CB 3.14Å; T171-T175 WeakPolarHBondContact O-CG2 3.22Å; T171-T175 PolarHBondContact O-N 2.98Å; T171-T175 PolarHBondContact O-OG1 3.31Å; W172-T175 PolarHBondContact O-N 3.09Å; W172-T175 PolarHBondContact O-OG1 3.28Å; E173-T175 PolarHBondContact O-N 2.84Å; T175-Y177 VanDerWaalsContact C-N 3.34Å; T175-S179 PolarHBondContact O-N 3.24Å
176	H	39.8	Very low	45	Very low	104 Å²	104	97.7 Å²	97.7	48%	0.481	50%	0.504	S	S	.	.	H	α-helix	trans	-68	-33.6	167.2	-90.5	-77.6	0	0	0	112.5	W172 E173 S180	W172-H176 AromaticContact CD2-CD2 3.84Å; W172-H176 AromaticContact CE2-CD2 3.45Å; W172-H176 VanDerWaalsContact CE2-CD2 3.45Å; W172-H176 AromaticContact CE2-NE2 3.53Å; W172-H176 AromaticContact CZ2-CD2 3.59Å; W172-H176 AromaticContact CZ2-NE2 3.42Å; W172-H176 WeakPolarHBondContact CZ2-NE2 3.24Å; W172-H176 AromaticContact NE1-CD2 3.73Å; W172-H176 AromaticContact NE1-NE2 3.64Å; W172-H176 PolarHBondContact O-CD2 3.22Å; W172-H176 PolarHBondContact O-N 3.16Å; W172-H176 VanDerWaalsContact O-N 3.1Å; E173-H176 PolarHBondContact O-N 2.77Å; H176-S180 PolarHBondContact O-OG 3.26Å
177	Y	33.3	Very low	42.6	Very low	175 Å²	175	100.5 Å²	100.5	69%	0.686	52%	0.524	S	S	*	.	H	α-helix	trans	-68.7	-49.3	173.2	-126.2	-87.2	0	0	0	112.3	E173 M174 T175 S179 S180 A181	E173-Y177 PolarHBondContact O-N 2.88Å; M174-Y177 CarbonylContact O-C 3.46Å; M174-Y177 WeakPolarHBondContact O-CA 3.48Å; M174-Y177 WeakPolarHBondContact O-CB 3.48Å; M174-Y177 PolarHBondContact O-N 2.83Å; M174-Y177 VanDerWaalsContact O-N 3.13Å; T175-Y177 VanDerWaalsContact C-N 3.34Å; Y177-S179 VanDerWaalsContact C-N 3.31Å; Y177-S179 PolarHBondContact O-N 3.47Å; Y177-S180 CarbonylContact O-C 3.55Å; Y177-S180 WeakPolarHBondContact O-CA 3.05Å; Y177-S180 WeakPolarHBondContact O-CB 3.04Å; Y177-S180 PolarHBondContact O-N 3.31Å; Y177-A181 HydrophobicContact CD1-CB 4.46Å; Y177-A181 VanDerWaalsContact O-CB 3.31Å; Y177-A181 WeakPolarHBondContact O-CB 3.45Å; Y177-A181 PolarHBondContact O-N 3.5Å
178	E	31.7	Very low	40.6	Very low	125 Å²	125	104.7 Å²	104.7	58%	0.584	56%	0.557	S	S	*	*	H	α-helix	trans	-59.8	-38.3	-178.8	-73.5	-168.2	144.3	0	0	113.1	M174 S180 S182	M174-E178 PolarHBondContact O-N 3.14Å; E178-S180 PolarHBondContact O-N 3.2Å; E178-S182 WeakPolarHBondContact O-CB 3.47Å; E178-S182 PolarHBondContact O-N 3.05Å; E178-S182 PolarHBondContact O-OG 3.25Å
179	S	30.6	Very low	38.7	Very low	99 Å²	99	105.6 Å²	105.6	69%	0.692	56%	0.561	S	S	*	*	H	α-helix	trans	-61.9	-23	175	-161.2	0	0	0	0	113.1	T175 Y177	T175-S179 PolarHBondContact O-N 3.24Å; Y177-S179 VanDerWaalsContact C-N 3.31Å; Y177-S179 PolarHBondContact O-N 3.47Å
180	S	31.4	Very low	36.5	Very low	76 Å²	76	107 Å²	107	53%	0.531	57%	0.572	S	S	.	*	H	α-helix	trans	-100.3	-46.4	-179.6	-53.1	0	0	0	0	112.3	H176 Y177 E178 S182 K183	H176-S180 PolarHBondContact O-OG 3.26Å; Y177-S180 CarbonylContact O-C 3.55Å; Y177-S180 WeakPolarHBondContact O-CA 3.05Å; Y177-S180 WeakPolarHBondContact O-CB 3.04Å; Y177-S180 PolarHBondContact O-N 3.31Å; E178-S180 PolarHBondContact O-N 3.2Å; S180-S182 PolarHBondContact O-N 3.14Å; S180-K183 PolarHBondContact O-N 3.08Å
181	A	30.6	Very low	34.9	Very low	55 Å²	55	111.4 Å²	111.4	46%	0.455	60%	0.601	S	S	.	*	H	α-helix	trans	-62.4	-23.2	-178.8	0	0	0	0	0	113.4	Y177 K183 M184	Y177-A181 HydrophobicContact CD1-CB 4.46Å; Y177-A181 VanDerWaalsContact O-CB 3.31Å; Y177-A181 WeakPolarHBondContact O-CB 3.45Å; Y177-A181 PolarHBondContact O-N 3.5Å; A181-K183 PolarHBondContact O-N 3.47Å; A181-M184 PolarHBondContact O-N 3.47Å; A181-M184 VanDerWaalsContact O-N 3.1Å
182	S	29.8	Very low	33.3	Very low	103 Å²	103	112.9 Å²	112.9	72%	0.72	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	3	171.6	-66.3	0	0	0	0	115.4	E178 S180	E178-S182 WeakPolarHBondContact O-CB 3.47Å; E178-S182 PolarHBondContact O-N 3.05Å; E178-S182 PolarHBondContact O-OG 3.25Å; S180-S182 PolarHBondContact O-N 3.14Å
183	K	29.4	Very low	31.8	Very low	159 Å²	159	110.1 Å²	110.1	69%	0.691	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.1	-1.5	177	-70.2	-179.9	179.8	171.2	0	115.3	S180 A181	S180-K183 PolarHBondContact O-N 3.08Å; A181-K183 PolarHBondContact O-N 3.47Å
184	M	25.3	Very low	30.6	Very low	127 Å²	127	117.4 Å²	117.4	63%	0.626	66%	0.655	S	S	*	*			trans	-130.5	85.4	-167.8	-71.5	-173.1	73.8	0	0	111.9	A181	A181-M184 PolarHBondContact O-N 3.47Å; A181-M184 VanDerWaalsContact O-N 3.1Å
185	S	24.3	Very low	30	Very low	110 Å²	110	117.1 Å²	117.1	77%	0.769	66%	0.664	S	S	*	*			trans	-85.3	108.7	160.6	56.2	0	0	0	0	109
186	W	29	Very low	29.6	Very low	181 Å²	181	120.3 Å²	120.3	69%	0.686	68%	0.678	S	S	*	*			trans	-124	146.7	174.1	-74.1	81	0	0	0	110.7	D190	W186-D190 HydrophobicContact CE3-CB 4.13Å
187	S	28.5	Very low	29.4	Very low	67 Å²	67	123.2 Å²	123.2	47%	0.469	69%	0.692	S	S	.	*			trans	-72.6	154.1	179	13.8	0	0	0	0	111.3	E189 D190	S187-E189 PolarHBondContact O-N 3.37Å; S187-D190 WeakPolarHBondContact CB-OD2 3.35Å; S187-D190 PolarHBondContact OG-OD2 3.23Å
188	A	28	Very low	29.1	Very low	105 Å²	105	123.1 Å²	123.1	87%	0.868	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	15	179	0	0	0	0	0	114.4
189	E	31.2	Very low	28.9	Very low	165 Å²	165	120.7 Å²	120.7	77%	0.771	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	-24.1	-173.9	-59.9	-174.5	143.2	0	0	112.3	S187 V191	S187-E189 PolarHBondContact O-N 3.37Å; E189-V191 VanDerWaalsContact C-N 3.27Å; E189-V191 PolarHBondContact O-N 2.96Å
190	D	30.4	Very low	28.7	Very low	83 Å²	83	122.2 Å²	122.2	44%	0.444	72%	0.722	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.7	0	-169.5	-59.4	-78.2	0	0	0	114.9	W186 S187	W186-D190 HydrophobicContact CE3-CB 4.13Å; S187-D190 WeakPolarHBondContact CB-OD2 3.35Å; S187-D190 PolarHBondContact OG-OD2 3.23Å
191	V	31.9	Very low	28.6	Very low	133 Å²	133	126.3 Å²	126.3	81%	0.806	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	15.5	-171.8	-156.6	0	0	0	0	113	E189	E189-V191 VanDerWaalsContact C-N 3.27Å; E189-V191 PolarHBondContact O-N 2.96Å
192	S	27.5	Very low	28.7	Very low	112 Å²	112	129.2 Å²	129.2	78%	0.783	75%	0.749	S	S	*	*	S	Bend	trans	-107.7	15.1	-173.9	-67.2	0	0	0	0	115.4
193	S	26.9	Very low	28.6	Very low	97 Å²	97	130.5 Å²	130.5	68%	0.678	75%	0.752	S	S	*	*			trans	-142.1	142.8	-177.6	58.8	0	0	0	0	114.3
194	M	26.9	Very low	28.6	Very low	193 Å²	193	126.8 Å²	126.8	95%	0.951	75%	0.751	S	S	*	*			trans	86	85	172.4	-52.8	-165.8	69.5	0	0	117.3
195	S	26.1	Very low	28.9	Very low	110 Å²	110	130.9 Å²	130.9	77%	0.769	77%	0.765	S	S	*	*			trans	-117.3	138.1	151.6	173.1	0	0	0	0	108.5
196	L	29.4	Very low	29.1	Very low	148 Å²	148	136.3 Å²	136.3	78%	0.775	77%	0.769	S	S	*	*			trans	166.4	144.7	137.9	-91.1	166.5	0	0	0	114.4
197	Q	35.2	Very low	29.1	Very low	165 Å²	165	139.2 Å²	139.2	77%	0.771	78%	0.78	S	S	*	*			trans	80.8	83.5	151.5	-68.6	168.9	28.1	0	0	122.2
198	N	27	Very low	29.2	Very low	172 Å²	172	144 Å²	144	92%	0.92	80%	0.795	S	S	*	*				9.8	142.7	129.9	-56.1	-10.8	0	0	0	121.5
199	G	27.3	Very low	29.2	Very low	75 Å²	75	149 Å²	149	77%	0.773	80%	0.797	S	S	*	*			trans	-168.7	38.2	173.8	0	0	0	0	0	122.2
200	S	27.4	Very low	29.1	Very low	130 Å²	130	149.4 Å²	149.4	91%	0.909	80%	0.796	S	S	*	*			trans	55.5	143.3	157.5	-63.1	0	0	0	0	123.6
201	M	29.5	Very low	29.2	Very low	163 Å²	163	152.7 Å²	152.7	80%	0.803	81%	0.809	S	S	*	*			trans	-109.1	162.8	171.2	-107.6	-87.1	90.9	0	0	111.3
202	P	32.5	Very low	29.2	Very low	115 Å²	115	155.3 Å²	155.3	75%	0.747	82%	0.817	S	S	*	*				-152.2	130.8	112.1	35.4	-16.6	0	0	0	118.6
203	V	27.5	Very low	29.3	Very low	131 Å²	131	161.3 Å²	161.3	79%	0.794	82%	0.823	S	S	*	*			trans	7	129.3	136.2	-157.1	0	0	0	0	119.8
204	A	28.2	Very low	29.5	Very low	80 Å²	80	165.3 Å²	165.3	66%	0.661	83%	0.828	S	S	*	*				151.7	119.8	110.8	0	0	0	0	0	117.4
205	K	32.7	Very low	29.8	Very low	213 Å²	213	165.7 Å²	165.7	93%	0.926	83%	0.828	S	S	*	*				160.9	149.2	115.9	-88.4	168.5	-174.7	170.6	0	114.4
206	R	27.2	Very low	29.9	Very low	225 Å²	225	172.3 Å²	172.3	85%	0.849	84%	0.835	S	S	*	*			trans	-101.2	118.8	175.2	-77.9	174.1	166.5	159.5	-6.1	111.8
207	R	29.5	Very low	30	Very low	242 Å²	242	170.3 Å²	170.3	91%	0.913	83%	0.834	S	S	*	*			trans	176.8	147.6	149.1	-97.7	163.2	-176.1	-178.4	0.5	105.4
208	E	31.3	Very low	29.8	Very low	168 Å²	168	169.6 Å²	169.6	79%	0.785	84%	0.84	S	S	*	*			cis	-146.5	154.7	27	-152.1	161.9	-170.9	0	0	113.4
209	K	28.3	Very low	30	Very low	209 Å²	209	165 Å²	165	91%	0.909	83%	0.834	S	S	*	*			trans	-117.7	76.6	-175.2	-178.2	-176.5	175.2	177.6	0	109.9
210	K	28.6	Very low	30.1	Very low	174 Å²	174	167.4 Å²	167.4	76%	0.757	83%	0.834	S	S	*	*			trans	-152.5	-37	178.2	-118.5	173.8	-177.5	-179.8	0	118.5
211	E	32.2	Very low	30.3	Very low	152 Å²	152	169.8 Å²	169.8	71%	0.71	83%	0.831	S	S	*	*			trans	-93.1	-6.7	-153.7	-131.6	50.9	-140.3	0	0	118.7	R213	E211-R213 PolarHBondContact O-N 3.47Å
212	L	32	Very low	30.3	Very low	187 Å²	187	167.2 Å²	167.2	98%	0.979	83%	0.829	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	35	-176.2	-88.9	164.5	0	0	0	115
213	R	30.5	Very low	30.1	Very low	238 Å²	238	166.4 Å²	166.4	90%	0.898	83%	0.826	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.5	26.9	-177.9	-143.5	179.3	-167.9	-171.8	3.7	114.9	E211	E211-R213 PolarHBondContact O-N 3.47Å
214	K	31.2	Very low	30.2	Very low	182 Å²	182	166.8 Å²	166.8	79%	0.791	83%	0.829	S	S	*	*			trans	-147.6	21.7	-173.4	-135.6	-179.6	-177.2	-175.1	0	118.6
215	Q	32	Very low	30.2	Very low	201 Å²	201	174.8 Å²	174.8	94%	0.939	84%	0.842	S	S	*	*			trans	-123.7	89.4	174.1	-71.4	-173.8	-10.8	0	0	111.7
216	R	28.6	Very low	30	Very low	248 Å²	248	170.1 Å²	170.1	94%	0.936	84%	0.835	S	S	*	*			trans	-154.6	45.2	173.8	-150.9	-177.5	-172.5	-146.4	1.2	113.4
217	S	31.8	Very low	30.1	Very low	106 Å²	106	163 Å²	163	74%	0.741	82%	0.824	S	S	*	*	S	Bend	trans	-162.3	127	173.3	54.2	0	0	0	0	112.8
218	V	31.2	Very low	30.3	Very low	150 Å²	150	155.3 Å²	155.3	91%	0.909	80%	0.804	S	S	*	*			trans	25	123.5	141	-169	0	0	0	0	118.5
219	G	30.1	Very low	30.7	Very low	77 Å²	77	151.3 Å²	151.3	79%	0.794	80%	0.795	S	S	*	*			trans	169.5	108.5	163.7	0	0	0	0	0	114.6
220	T	29.9	Very low	31.2	Very low	124 Å²	124	144.2 Å²	144.2	76%	0.761	78%	0.775	S	S	*	*			trans	-73.2	156.6	-179	-46	0	0	0	0	113.7
221	E	31.3	Very low	31.8	Very low	180 Å²	180	140.7 Å²	140.7	84%	0.841	76%	0.761	S	S	*	*			trans	87	128.7	151.1	-101.5	154.8	-111.4	0	0	123.4
222	S	29.8	Very low	32.3	Very low	110 Å²	110	139.5 Å²	139.5	77%	0.769	76%	0.759	S	S	*	*			trans	72.3	97.8	147.4	-144.4	0	0	0	0	123.2
223	S	27.6	Very low	33	Very low	98 Å²	98	135.3 Å²	135.3	69%	0.685	74%	0.737	S	S	*	*				50.2	108.2	128.2	-161.7	0	0	0	0	121.3
224	T	29.7	Very low	34.3	Very low	139 Å²	139	126.2 Å²	126.2	85%	0.853	71%	0.708	S	S	*	*				-170.2	155.5	104.8	19.6	0	0	0	0	114.1
225	R	29.1	Very low	35.9	Very low	247 Å²	247	120.7 Å²	120.7	93%	0.932	69%	0.687	S	S	*	*			trans	-42.2	125	-175.3	-62.7	166	172.8	167.6	-5.1	116.8
226	C	27.3	Very low	38	Very low	115 Å²	115	113.4 Å²	113.4	78%	0.777	66%	0.658	S	S	*	*			trans	-158.9	81.7	142.7	-163.2	0	0	0	0	110.7	T228	C226-T228 PolarHBondContact O-N 3.27Å
227	A	29.2	Very low	40.5	Very low	76 Å²	76	105.6 Å²	105.6	63%	0.628	63%	0.633	S	S	*	*			trans	-73	122.2	174.9	0	0	0	0	0	109.5	E231	A227-E231 VanDerWaalsContact CA-OE2 3.32Å; A227-E231 WeakPolarHBondContact CA-OE2 3.37Å
228	T	34.8	Very low	43.2	Very low	80 Å²	80	101.1 Å²	101.1	49%	0.491	60%	0.601	S	S	.	*			trans	-89.3	150.9	-173.8	62.4	0	0	0	0	111.2	C226 A230 E231	C226-T228 PolarHBondContact O-N 3.27Å; T228-A230 PolarHBondContact O-N 3.08Å; T228-E231 PolarHBondContact N-OE2 3.39Å; T228-E231 WeakPolarHBondContact O-CB 3.49Å; T228-E231 PolarHBondContact O-N 3.4Å
229	S	39.4	Very low	45.8	Very low	84 Å²	84	102.8 Å²	102.8	59%	0.587	59%	0.59	S	S	*	*	H	α-helix	trans	-49.5	-31.6	-174.5	-179.6	0	0	0	0	114.5	E231 L232 L233	S229-E231 VanDerWaalsContact C-N 3.32Å; S229-E231 PolarHBondContact O-N 3.45Å; S229-L232 PolarHBondContact O-N 2.9Å; S229-L233 WeakPolarHBondContact O-CG 3.44Å; S229-L233 PolarHBondContact O-N 2.89Å
230	A	39	Very low	48.5	Very low	60 Å²	60	104.5 Å²	104.5	50%	0.496	58%	0.581	S	S	.	*	H	α-helix	trans	-59.1	-37.5	174.9	0	0	0	0	0	113.6	T228 L233 T234	T228-A230 PolarHBondContact O-N 3.08Å; A230-L233 PolarHBondContact O-N 2.9Å; A230-T234 WeakPolarHBondContact O-CG2 3.4Å; A230-T234 PolarHBondContact O-N 2.67Å; A230-T234 PolarHBondContact O-OG1 3.36Å
231	E	40.9	Very low	51.3	Low	100 Å²	100	100.7 Å²	100.7	47%	0.467	56%	0.556	S	S	.	*	H	α-helix	trans	-69.7	-40.9	-179.9	-64.2	172.7	123.4	0	0	110.9	A227 T228 S229 T234 N235	A227-E231 VanDerWaalsContact CA-OE2 3.32Å; A227-E231 WeakPolarHBondContact CA-OE2 3.37Å; T228-E231 PolarHBondContact N-OE2 3.39Å; T228-E231 WeakPolarHBondContact O-CB 3.49Å; T228-E231 PolarHBondContact O-N 3.4Å; S229-E231 VanDerWaalsContact C-N 3.32Å; S229-E231 PolarHBondContact O-N 3.45Å; E231-T234 WeakPolarHBondContact CA-OG1 3.34Å; E231-T234 PolarHBondContact O-N 3.04Å; E231-T234 PolarHBondContact O-OG1 3.39Å; E231-N235 PolarHBondContact O-N 2.78Å; E231-N235 PolarHBondContact O-ND2 2.72Å
232	L	43.2	Very low	54.1	Low	127 Å²	127	94.7 Å²	94.7	67%	0.665	53%	0.529	S	S	*	.	H	α-helix	trans	-62.8	-43.2	173.5	-75.3	164.5	0	0	0	111.5	S229 N235	S229-L232 PolarHBondContact O-N 2.9Å; L232-N235 PolarHBondContact O-N 2.86Å
233	L	46.1	Very low	56.9	Low	99 Å²	99	93.8 Å²	93.8	52%	0.518	52%	0.523	S	S	.	.	H	α-helix	trans	-59.6	-51.9	173.9	-75.2	165.8	0	0	0	111.4	S229 A230 N235 S236	S229-L233 WeakPolarHBondContact O-CG 3.44Å; S229-L233 PolarHBondContact O-N 2.89Å; A230-L233 PolarHBondContact O-N 2.9Å; L233-N235 PolarHBondContact O-N 3.38Å; L233-S236 WeakPolarHBondContact O-CA 3.46Å; L233-S236 VanDerWaalsContact O-CB 3.26Å; L233-S236 WeakPolarHBondContact O-CB 3.33Å; L233-S236 PolarHBondContact O-N 3.08Å; L233-S236 PolarHBondContact O-OG 3.28Å
234	T	57.9	Low	59.9	Low	47 Å²	47	92.9 Å²	92.9	29%	0.288	51%	0.51	S	S	.	.	H	α-helix	trans	-60.9	-17.5	-177.8	55.9	0	0	0	0	115.6	A230 E231 E237 R449	A230-T234 WeakPolarHBondContact O-CG2 3.4Å; A230-T234 PolarHBondContact O-N 2.67Å; A230-T234 PolarHBondContact O-OG1 3.36Å; E231-T234 WeakPolarHBondContact CA-OG1 3.34Å; E231-T234 PolarHBondContact O-N 3.04Å; E231-T234 PolarHBondContact O-OG1 3.39Å; T234-E237 WeakPolarHBondContact CA-OE2 3.36Å; T234-R449 PolarHBondContact O-NE 2.88Å
235	N	65.7	Low	62.6	Low	67 Å²	67	91.8 Å²	91.8	36%	0.358	50%	0.499	S	S	.	.	H	α-helix	trans	-85.4	-12.5	173.2	-78.1	-76.5	0	0	0	112.6	E231 L232 L233 R239	E231-N235 PolarHBondContact O-N 2.78Å; E231-N235 PolarHBondContact O-ND2 2.72Å; L232-N235 PolarHBondContact O-N 2.86Å; L233-N235 PolarHBondContact O-N 3.38Å; N235-R239 WeakPolarHBondContact O-CD 3.36Å; N235-R239 WeakPolarHBondContact O-CG 3.21Å; N235-R239 PolarHBondContact O-N 2.77Å; N235-R239 PolarHBondContact O-NE 3.42Å
236	S	75.4	Confident	65.5	Low	47 Å²	47	84 Å²	84	33%	0.329	48%	0.475	S	S	.	.	H	α-helix	trans	-82.3	-43.6	179.9	75.4	0	0	0	0	112.4	L233 R239 L240	L233-S236 WeakPolarHBondContact O-CA 3.46Å; L233-S236 VanDerWaalsContact O-CB 3.26Å; L233-S236 WeakPolarHBondContact O-CB 3.33Å; L233-S236 PolarHBondContact O-N 3.08Å; L233-S236 PolarHBondContact O-OG 3.28Å; S236-R239 PolarHBondContact O-N 3.19Å; S236-L240 WeakPolarHBondContact O-CG 3.4Å; S236-L240 PolarHBondContact O-N 2.88Å
237	E	82.3	Confident	68.6	Low	85 Å²	85	78.5 Å²	78.5	40%	0.397	44%	0.438	S	S	.	.	H	α-helix	trans	-71.8	-34.5	179.1	-45.2	86.8	168.8	0	0	111.3	T234 R239 L240 L241	T234-E237 WeakPolarHBondContact CA-OE2 3.36Å; E237-R239 VanDerWaalsContact C-N 3.32Å; E237-R239 PolarHBondContact O-N 3.05Å; E237-L240 PolarHBondContact O-N 2.96Å; E237-L241 WeakPolarHBondContact O-CG 3.25Å; E237-L241 PolarHBondContact O-N 2.7Å
238	D	86.9	Confident	71.8	Confident	12 Å²	12	74.9 Å²	74.9	6%	0.064	41%	0.409	C	S	.	.	H	α-helix	trans	-58.7	-43.1	170.5	-79.2	-3.8	0	0	0	111.2	L241 N242 Q446 R449	D238-L241 PolarHBondContact O-N 2.87Å; D238-N242 VanDerWaalsContact O-CB 3.24Å; D238-N242 WeakPolarHBondContact O-CB 3.49Å; D238-N242 PolarHBondContact O-N 2.7Å; D238-Q446 WeakPolarHBondContact OD2-CG 3.17Å; D238-R449 WeakPolarHBondContact OD1-CD 3.2Å; D238-R449 IonicContact OD1-CZ 2.78Å; D238-R449 IonicContact OD1-NE 2.75Å; D238-R449 PolarHBondContact OD1-NE 3.48Å; D238-R449 IonicContact OD2-CZ 3.27Å; D238-R449 VanDerWaalsContact OD2-CZ 3.27Å; D238-R449 IonicContact OD2-NE 2.71Å; D238-R449 PolarHBondContact OD2-NE 3.38Å; D238-R449 IonicContact OD2-NH2 2.92Å; D238-R449 PolarHBondContact OD2-NH2 2.86Å
239	R	86.1	Confident	74.6	Confident	185 Å²	185	75.3 Å²	75.3	70%	0.698	41%	0.405	S	S	*	.	H	α-helix	trans	-66	-42.4	176.5	-74.8	167.6	-170.2	-170.1	1.7	112.1	N235 S236 E237 N242 S243	N235-R239 WeakPolarHBondContact O-CD 3.36Å; N235-R239 WeakPolarHBondContact O-CG 3.21Å; N235-R239 PolarHBondContact O-N 2.77Å; N235-R239 PolarHBondContact O-NE 3.42Å; S236-R239 PolarHBondContact O-N 3.19Å; E237-R239 VanDerWaalsContact C-N 3.32Å; E237-R239 PolarHBondContact O-N 3.05Å; R239-N242 PolarHBondContact O-N 2.63Å; R239-N242 VanDerWaalsContact O-N 3.15Å; R239-S243 PolarHBondContact O-N 2.61Å; R239-S243 PolarHBondContact O-OG 3.35Å
240	L	88.1	Confident	77.3	Confident	112 Å²	112	75.5 Å²	75.5	59%	0.586	40%	0.398	S	S	*	.	H	α-helix	trans	-64.3	-38.7	176.9	-70.5	170.2	0	0	0	112.2	S236 E237 N242 S243 L244	S236-L240 WeakPolarHBondContact O-CG 3.4Å; S236-L240 PolarHBondContact O-N 2.88Å; E237-L240 PolarHBondContact O-N 2.96Å; L240-N242 VanDerWaalsContact C-N 3.35Å; L240-S243 PolarHBondContact O-OG 2.7Å; L240-S243 VanDerWaalsContact O-OG 3.08Å; L240-L244 WeakPolarHBondContact O-CG 3.47Å
241	L	88.5	Confident	80	Confident	45 Å²	45	73 Å²	73	24%	0.236	38%	0.378	C	S	.	.	H	α-helix	trans	-73.2	-28.1	172.5	-70.4	170.4	0	0	0	112.2	E237 D238 G247 M250 L445	E237-L241 WeakPolarHBondContact O-CG 3.25Å; E237-L241 PolarHBondContact O-N 2.7Å; D238-L241 PolarHBondContact O-N 2.87Å; L241-G247 WeakPolarHBondContact O-CA 3.2Å; L241-M250 HydrophobicContact CD2-CB 4.37Å; L241-L445 HydrophobicContact CB-CD1 3.81Å; L241-L445 HydrophobicContact CB-CD2 3.75Å; L241-L445 HydrophobicContact CB-CG 4.37Å; L241-L445 HydrophobicContact CD1-CD2 4.2Å
242	N	89.9	Confident	82.6	Confident	54 Å²	54	69.1 Å²	69.1	29%	0.289	36%	0.36	S	S	.	.	H	α-helix	trans	-75.8	-28.2	178.2	-158.6	49.1	0	0	0	113	D238 R239 L240 K441 T442 L445	D238-N242 VanDerWaalsContact O-CB 3.24Å; D238-N242 WeakPolarHBondContact O-CB 3.49Å; D238-N242 PolarHBondContact O-N 2.7Å; R239-N242 PolarHBondContact O-N 2.63Å; R239-N242 VanDerWaalsContact O-N 3.15Å; L240-N242 VanDerWaalsContact C-N 3.35Å; N242-K441 WeakPolarHBondContact O-CE 3.36Å; N242-K441 PolarHBondContact O-NZ 3.35Å; N242-K441 WeakPolarHBondContact OD1-CD 3.45Å; N242-K441 WeakPolarHBondContact OD1-CG 3.25Å; N242-T442 PolarHBondContact ND2-OG1 2.79Å; N242-T442 PolarHBondContact OD1-OG1 2.65Å; N242-L445 HydrophobicContact CB-CD1 3.87Å
243	S	88.8	Confident	85.2	Confident	91 Å²	91	66.2 Å²	66.2	64%	0.636	35%	0.35	S	S	*	.	H	α-helix	trans	-77.5	-23	174	61.7	0	0	0	0	114	R239 L240	R239-S243 PolarHBondContact O-N 2.61Å; R239-S243 PolarHBondContact O-OG 3.35Å; L240-S243 PolarHBondContact O-OG 2.7Å; L240-S243 VanDerWaalsContact O-OG 3.08Å
244	L	89.6	Confident	87.5	Confident	78 Å²	78	69.2 Å²	69.2	41%	0.408	35%	0.354	S	S	.	.	S	Bend	trans	-80.8	128.4	176.4	-68.3	171.3	0	0	0	112	L240 N246 G247 M250 K441	L240-L244 WeakPolarHBondContact O-CG 3.47Å; L244-N246 PolarHBondContact O-N 3.47Å; L244-N246 VanDerWaalsContact O-N 3.15Å; L244-G247 PolarHBondContact O-N 3.13Å; L244-G247 VanDerWaalsContact O-N 3.09Å; L244-M250 HydrophobicContact CD1-CE 4.37Å; L244-M250 HydrophobicContact CD1-SD 4.12Å; L244-K441 WeakPolarHBondContact O-CE 3.29Å; L244-K441 PolarHBondContact O-NZ 3.39Å
245	D	87	Confident	89.4	Confident	117 Å²	117	67.1 Å²	67.1	63%	0.626	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	-42.9	177.1	-85.3	0.5	0	0	0	113.1	Q938	D245-Q938 PolarHBondContact OD2-NE2 3.07Å
246	N	90.3	Very high	90.9	Very high	82 Å²	82	69.2 Å²	69.2	44%	0.439	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	16.8	-175.7	66.4	-19.8	0	0	0	114.2	L244 V248 E249 M250	L244-N246 PolarHBondContact O-N 3.47Å; L244-N246 VanDerWaalsContact O-N 3.15Å; N246-V248 VanDerWaalsContact C-N 3.29Å; N246-V248 PolarHBondContact O-N 2.95Å; N246-E249 WeakPolarHBondContact CA-OE2 3.46Å; N246-E249 WeakPolarHBondContact O-CB 3.28Å; N246-E249 PolarHBondContact O-N 3.07Å; N246-M250 WeakPolarHBondContact O-CG 3.38Å; N246-M250 PolarHBondContact O-N 3.39Å
247	G	92.3	Very high	91.9	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.2	-33	-173.5	0	0	0	0	0	114.3	L241 L244 M250 A251	L241-G247 WeakPolarHBondContact O-CA 3.2Å; L244-G247 PolarHBondContact O-N 3.13Å; L244-G247 VanDerWaalsContact O-N 3.09Å; G247-M250 PolarHBondContact O-N 2.91Å; G247-A251 WeakPolarHBondContact O-CB 3.47Å; G247-A251 PolarHBondContact O-N 2.9Å
248	V	95.4	Very high	92.6	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-70.9	-41	176.5	172.1	0	0	0	0	111	N246 M250 A251 L252 W354 K441 I444 L445	N246-V248 VanDerWaalsContact C-N 3.29Å; N246-V248 PolarHBondContact O-N 2.95Å; V248-M250 VanDerWaalsContact C-N 3.32Å; V248-M250 PolarHBondContact O-N 3.42Å; V248-A251 PolarHBondContact O-N 2.99Å; V248-L252 HydrophobicContact CG1-CD1 3.69Å; V248-L252 HydrophobicContact CG1-CG 4.24Å; V248-L252 WeakPolarHBondContact O-CB 3.33Å; V248-L252 VanDerWaalsContact O-CG 3.26Å; V248-L252 WeakPolarHBondContact O-CG 3.27Å; V248-L252 PolarHBondContact O-N 3.06Å; V248-W354 HydrophobicContact CB-CD2 4.12Å; V248-W354 HydrophobicContact CB-CG 4.42Å; V248-W354 HydrophobicContact CB-CZ2 4.09Å; V248-W354 HydrophobicContact CG1-CB 4.17Å; V248-W354 HydrophobicContact CG1-CD2 3.74Å; V248-W354 HydrophobicContact CG1-CE3 4.43Å; V248-W354 HydrophobicContact CG1-CG 3.61Å; V248-W354 HydrophobicContact CG2-CD2 4.27Å; V248-W354 HydrophobicContact CG2-CE3 4.33Å; V248-W354 HydrophobicContact CG2-CH2 4.19Å; V248-W354 HydrophobicContact CG2-CZ2 4.11Å; V248-W354 HydrophobicContact CG2-CZ3 4.31Å; V248-K441 HydrophobicContact CG2-CB 4.48Å; V248-K441 HydrophobicContact CG2-CG 3.66Å; V248-I444 HydrophobicContact CG1-CG2 3.76Å; V248-I444 HydrophobicContact CG2-CG2 4.39Å; V248-L445 HydrophobicContact CG2-CD2 4.08Å; V248-L445 HydrophobicContact CG2-CG 4.13Å
249	E	94.6	Very high	93.1	Very high	90 Å²	90	64.7 Å²	64.7	42%	0.421	32%	0.323	S	S	.	.	H	α-helix	trans	-61.2	-41.3	172.5	-70.1	69.8	-161.2	0	0	111.2	N246 S253 W354	N246-E249 WeakPolarHBondContact CA-OE2 3.46Å; N246-E249 WeakPolarHBondContact O-CB 3.28Å; N246-E249 PolarHBondContact O-N 3.07Å; E249-S253 WeakPolarHBondContact O-CB 3.18Å; E249-S253 PolarHBondContact O-N 3.21Å; E249-W354 PolarHBondContact OE1-NE1 3.41Å
250	M	95.1	Very high	93.5	Very high	87 Å²	87	59.9 Å²	59.9	43%	0.429	31%	0.311	S	S	.	.	H	α-helix	trans	-62.7	-48.6	175.2	-70.9	175.3	63.8	0	0	111.6	L241 L244 N246 G247 V248 S253 R254	L241-M250 HydrophobicContact CD2-CB 4.37Å; L244-M250 HydrophobicContact CD1-CE 4.37Å; L244-M250 HydrophobicContact CD1-SD 4.12Å; N246-M250 WeakPolarHBondContact O-CG 3.38Å; N246-M250 PolarHBondContact O-N 3.39Å; G247-M250 PolarHBondContact O-N 2.91Å; V248-M250 VanDerWaalsContact C-N 3.32Å; V248-M250 PolarHBondContact O-N 3.42Å; M250-S253 WeakPolarHBondContact O-CB 3.41Å; M250-S253 PolarHBondContact O-N 2.98Å; M250-R254 PolarHBondContact O-N 2.87Å
251	A	95.3	Very high	94	Very high	9 Å²	9	61 Å²	61	7%	0.074	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-48.6	178.2	0	0	0	0	0	112	G247 V248 S253 R254 A255 L445 V448	G247-A251 WeakPolarHBondContact O-CB 3.47Å; G247-A251 PolarHBondContact O-N 2.9Å; V248-A251 PolarHBondContact O-N 2.99Å; A251-S253 VanDerWaalsContact C-N 3.29Å; A251-S253 PolarHBondContact O-N 3.44Å; A251-R254 WeakPolarHBondContact O-CB 3.44Å; A251-R254 PolarHBondContact O-N 3.08Å; A251-A255 PolarHBondContact O-N 3.39Å; A251-L445 HydrophobicContact CB-CD2 3.79Å; A251-V448 HydrophobicContact CB-CB 4.21Å; A251-V448 HydrophobicContact CB-CG1 3.82Å
252	L	97.3	Very high	94.4	Very high	18 Å²	18	58.9 Å²	58.9	9%	0.094	30%	0.297	C	S	.	.	H	α-helix	trans	-64.7	-32.4	176.2	-67.6	171.7	0	0	0	112.1	V248 A255 R256 R347 L350 K351 V448	V248-L252 HydrophobicContact CG1-CD1 3.69Å; V248-L252 HydrophobicContact CG1-CG 4.24Å; V248-L252 WeakPolarHBondContact O-CB 3.33Å; V248-L252 VanDerWaalsContact O-CG 3.26Å; V248-L252 WeakPolarHBondContact O-CG 3.27Å; V248-L252 PolarHBondContact O-N 3.06Å; L252-A255 PolarHBondContact O-N 3.15Å; L252-R256 PolarHBondContact O-N 3.26Å; L252-R347 HydrophobicContact CD2-CG 3.78Å; L252-R347 WeakPolarHBondContact O-CD 3.24Å; L252-L350 HydrophobicContact CD2-CB 4.02Å; L252-K351 HydrophobicContact CD1-CB 4.01Å; L252-K351 HydrophobicContact CD1-CG 4.25Å; L252-V448 HydrophobicContact CD2-CG2 3.82Å; L252-V448 HydrophobicContact CG-CG2 4.46Å
253	S	95.9	Very high	94.7	Very high	65 Å²	65	61.4 Å²	61.4	46%	0.455	31%	0.306	S	S	.	.	H	α-helix	trans	-66.4	-40.9	172.7	-173.8	0	0	0	0	111.8	E249 M250 A251 R256 A257	E249-S253 WeakPolarHBondContact O-CB 3.18Å; E249-S253 PolarHBondContact O-N 3.21Å; M250-S253 WeakPolarHBondContact O-CB 3.41Å; M250-S253 PolarHBondContact O-N 2.98Å; A251-S253 VanDerWaalsContact C-N 3.29Å; A251-S253 PolarHBondContact O-N 3.44Å; S253-R256 WeakPolarHBondContact O-CB 3.47Å; S253-R256 PolarHBondContact O-N 2.77Å; S253-R256 VanDerWaalsContact O-N 3.1Å; S253-A257 PolarHBondContact O-N 2.96Å
254	R	95.5	Very high	95.1	Very high	163 Å²	163	61.8 Å²	61.8	62%	0.615	30%	0.298	S	S	*	.	H	α-helix	trans	-61.5	-43.8	172.6	-177.1	64	-176.8	-178.9	3.5	111.6	M250 A251 R256 A257 W258 I452	M250-R254 PolarHBondContact O-N 2.87Å; A251-R254 WeakPolarHBondContact O-CB 3.44Å; A251-R254 PolarHBondContact O-N 3.08Å; R254-R256 PolarHBondContact O-N 3.08Å; R254-A257 WeakPolarHBondContact O-CB 3.36Å; R254-A257 PolarHBondContact O-N 3.05Å; R254-A257 VanDerWaalsContact O-N 3.13Å; R254-W258 PolarHBondContact O-N 3.46Å; R254-I452 HydrophobicContact CG-CD1 4.27Å
255	A	96.6	Very high	95.4	Very high	3 Å²	3	59.5 Å²	59.5	3%	0.025	29%	0.286	C	S	.	.	H	α-helix	trans	-67.1	-19.5	174.2	0	0	0	0	0	114	A251 L252 R347 V448 I452	A251-A255 PolarHBondContact O-N 3.39Å; L252-A255 PolarHBondContact O-N 3.15Å; A255-R347 HydrophobicContact CB-CG 3.95Å; A255-R347 PolarHBondContact O-NH1 3.48Å; A255-V448 HydrophobicContact CB-CG1 4.27Å; A255-I452 HydrophobicContact CB-CD1 4.08Å
256	R	97.5	Very high	95.9	Very high	111 Å²	111	54.4 Å²	54.4	42%	0.419	26%	0.259	S	S	.	.	H	α-helix	trans	-81	-39.7	168.3	-171.2	179.7	-179.8	-177.2	0.4	111.7	L252 S253 R254 S259 N260	L252-R256 PolarHBondContact O-N 3.26Å; S253-R256 WeakPolarHBondContact O-CB 3.47Å; S253-R256 PolarHBondContact O-N 2.77Å; S253-R256 VanDerWaalsContact O-N 3.1Å; R254-R256 PolarHBondContact O-N 3.08Å; R256-S259 PolarHBondContact O-N 3Å; R256-N260 PolarHBondContact O-N 3.28Å; R256-N260 VanDerWaalsContact O-N 3.1Å
257	A	96.3	Very high	96.2	Very high	31 Å²	31	53.5 Å²	53.5	26%	0.256	26%	0.258	S	S	.	.	H	α-helix	trans	-61.7	-43.9	176.5	0	0	0	0	0	112	S253 R254 S259 N260 Y261	S253-A257 PolarHBondContact O-N 2.96Å; R254-A257 WeakPolarHBondContact O-CB 3.36Å; R254-A257 PolarHBondContact O-N 3.05Å; R254-A257 VanDerWaalsContact O-N 3.13Å; A257-S259 PolarHBondContact O-N 3.17Å; A257-N260 PolarHBondContact O-N 3.47Å; A257-Y261 PolarHBondContact O-N 3Å
258	W	97.8	Very high	96.5	Very high	13 Å²	13	59.3 Å²	59.3	5%	0.049	28%	0.284	C	S	.	.	H	α-helix	trans	-60	-43.6	175.2	-179.5	95.9	0	0	0	112.3	R254 N260 Y261 C262 L336 R339 K340 A343 I452 C455 D456	R254-W258 PolarHBondContact O-N 3.46Å; W258-N260 VanDerWaalsContact C-N 3.35Å; W258-N260 PolarHBondContact O-N 2.91Å; W258-Y261 PolarHBondContact O-N 2.91Å; W258-C262 HydrophobicContact CH2-CB 4.27Å; W258-C262 HydrophobicContact CZ2-CB 4.3Å; W258-C262 WeakPolarHBondContact CZ2-SG 3.32Å; W258-C262 HydrophobicContact CZ3-CB 4.5Å; W258-C262 PolarHBondContact O-N 2.94Å; W258-L336 HydrophobicContact CZ2-CD1 4.33Å; W258-R339 HydrophobicContact CH2-CG 4.16Å; W258-K340 HydrophobicContact CH2-CB 4.38Å; W258-K340 HydrophobicContact CZ3-CB 4.32Å; W258-K340 HydrophobicContact CZ3-CG 4.36Å; W258-A343 HydrophobicContact CE3-CB 4.39Å; W258-A343 HydrophobicContact CZ3-CB 3.88Å; W258-I452 HydrophobicContact CB-CD1 4.41Å; W258-C455 HydrophobicContact CD2-CB 3.84Å; W258-C455 VanDerWaalsContact CE2-CB 3.44Å; W258-C455 HydrophobicContact CE3-CB 4.19Å; W258-C455 HydrophobicContact CG-CB 4.47Å; W258-C455 HydrophobicContact CH2-CB 3.92Å; W258-C455 HydrophobicContact CZ2-CB 3.49Å; W258-C455 VanDerWaalsContact CZ2-CB 3.49Å; W258-C455 HydrophobicContact CZ3-CB 4.23Å; W258-D456 PolarHBondContact NE1-OD1 3.13Å
259	S	96.7	Very high	96.5	Very high	4 Å²	4	59.5 Å²	59.5	3%	0.028	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-40.2	177	178.9	0	0	0	0	112.4	R256 A257 K263 K340 D344	R256-S259 PolarHBondContact O-N 3Å; A257-S259 PolarHBondContact O-N 3.17Å; S259-K263 PolarHBondContact O-N 3.11Å; S259-K263 VanDerWaalsContact O-N 3.09Å; S259-K340 WeakPolarHBondContact O-CE 3.43Å; S259-K340 WeakPolarHBondContact OG-CE 3.34Å; S259-K340 PolarHBondContact OG-NZ 2.71Å; S259-K340 VanDerWaalsContact OG-NZ 3.07Å; S259-D344 WeakPolarHBondContact CB-OD1 3.49Å; S259-D344 PolarHBondContact OG-OD1 3.45Å; S259-D344 PolarHBondContact OG-OD2 2.99Å
260	N	95.7	Very high	96.6	Very high	85 Å²	85	58 Å²	58	46%	0.455	28%	0.278	S	S	.	.	H	α-helix	trans	-63.2	-47.5	173.4	-73.2	9.6	0	0	0	111.5	R256 A257 W258 C262 K263 E264	R256-N260 PolarHBondContact O-N 3.28Å; R256-N260 VanDerWaalsContact O-N 3.1Å; A257-N260 PolarHBondContact O-N 3.47Å; W258-N260 VanDerWaalsContact C-N 3.35Å; W258-N260 PolarHBondContact O-N 2.91Å; N260-C262 PolarHBondContact O-N 3.44Å; N260-K263 WeakPolarHBondContact O-CB 3.44Å; N260-K263 PolarHBondContact O-N 3.42Å; N260-K263 VanDerWaalsContact O-N 3.13Å; N260-E264 PolarHBondContact O-N 3.04Å
261	Y	97.3	Very high	96.8	Very high	135 Å²	135	60.4 Å²	60.4	53%	0.529	28%	0.282	S	S	.	.	H	α-helix	trans	-56.6	-47.7	177.4	167.9	-105.9	0	0	0	112.1	A257 W258 K263 E264 L265 T459	A257-Y261 PolarHBondContact O-N 3Å; W258-Y261 PolarHBondContact O-N 2.91Å; Y261-K263 VanDerWaalsContact C-N 3.29Å; Y261-K263 PolarHBondContact O-N 2.99Å; Y261-E264 PolarHBondContact O-N 3.3Å; Y261-L265 HydrophobicContact CE1-CD2 4.2Å; Y261-L265 PolarHBondContact O-N 3.13Å; Y261-T459 HydrophobicContact CE1-CG2 4.48Å
262	C	96.8	Very high	96.8	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.7	-25.3	178.2	-70.7	0	0	0	0	113.7	W258 N260 L266 K340	W258-C262 HydrophobicContact CH2-CB 4.27Å; W258-C262 HydrophobicContact CZ2-CB 4.3Å; W258-C262 WeakPolarHBondContact CZ2-SG 3.32Å; W258-C262 HydrophobicContact CZ3-CB 4.5Å; W258-C262 PolarHBondContact O-N 2.94Å; N260-C262 PolarHBondContact O-N 3.44Å; C262-L266 VanDerWaalsContact O-CB 3.3Å; C262-L266 WeakPolarHBondContact O-CB 3.45Å; C262-L266 WeakPolarHBondContact O-CD1 3.37Å; C262-L266 WeakPolarHBondContact O-CG 3.49Å; C262-L266 PolarHBondContact O-N 2.92Å; C262-K340 HydrophobicContact CB-CD 4.49Å
263	K	96.6	Very high	96.7	Very high	107 Å²	107	64.1 Å²	64.1	47%	0.465	29%	0.294	S	S	.	.	H	α-helix	trans	-62.6	-46.9	170.2	-179.6	-172.4	157.2	-71	0	111.1	S259 N260 Y261 L266 S267	S259-K263 PolarHBondContact O-N 3.11Å; S259-K263 VanDerWaalsContact O-N 3.09Å; N260-K263 WeakPolarHBondContact O-CB 3.44Å; N260-K263 PolarHBondContact O-N 3.42Å; N260-K263 VanDerWaalsContact O-N 3.13Å; Y261-K263 VanDerWaalsContact C-N 3.29Å; Y261-K263 PolarHBondContact O-N 2.99Å; K263-L266 PolarHBondContact O-N 3.03Å; K263-S267 WeakPolarHBondContact O-CB 3.19Å; K263-S267 PolarHBondContact O-N 3.4Å
264	E	97.1	Very high	96.7	Very high	99 Å²	99	63.4 Å²	63.4	46%	0.463	29%	0.289	S	S	.	.	H	α-helix	trans	-74.2	-35.1	-178.1	-49.7	-39.6	140.1	0	0	111.9	N260 Y261 L266 S267 F268	N260-E264 PolarHBondContact O-N 3.04Å; Y261-E264 PolarHBondContact O-N 3.3Å; E264-L266 PolarHBondContact O-N 3.24Å; E264-S267 WeakPolarHBondContact O-CB 3.29Å; E264-S267 PolarHBondContact O-N 2.73Å; E264-F268 WeakPolarHBondContact O-CB 3.38Å; E264-F268 PolarHBondContact O-N 3.16Å
265	L	96	Very high	96.8	Very high	30 Å²	30	59.5 Å²	59.5	16%	0.157	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-41.9	171.5	-179.4	59.2	0	0	0	112.2	Y261 I269 F332 L336 T459	Y261-L265 HydrophobicContact CE1-CD2 4.2Å; Y261-L265 PolarHBondContact O-N 3.13Å; L265-I269 HydrophobicContact CD1-CG1 4.35Å; L265-I269 WeakPolarHBondContact O-CG1 3.01Å; L265-I269 PolarHBondContact O-N 3.37Å; L265-I269 VanDerWaalsContact O-N 3.13Å; L265-F332 HydrophobicContact CD1-CZ 4.07Å; L265-F332 HydrophobicContact CD2-CZ 4.02Å; L265-F332 HydrophobicContact CG-CE1 4.22Å; L265-F332 HydrophobicContact CG-CZ 3.83Å; L265-L336 HydrophobicContact CD2-CD2 4.08Å; L265-L336 HydrophobicContact CG-CD2 4.43Å; L265-T459 HydrophobicContact CD2-CG2 4.15Å
266	L	97.7	Very high	96.7	Very high	11 Å²	11	60.5 Å²	60.5	6%	0.058	28%	0.284	C	S	.	.	H	α-helix	trans	-62.8	-47.6	172.3	-78.7	166.8	0	0	0	111.5	C262 K263 E264 F268 I269 Q270 I333 L336 E337 K340	C262-L266 VanDerWaalsContact O-CB 3.3Å; C262-L266 WeakPolarHBondContact O-CB 3.45Å; C262-L266 WeakPolarHBondContact O-CD1 3.37Å; C262-L266 WeakPolarHBondContact O-CG 3.49Å; C262-L266 PolarHBondContact O-N 2.92Å; K263-L266 PolarHBondContact O-N 3.03Å; E264-L266 PolarHBondContact O-N 3.24Å; L266-F268 VanDerWaalsContact C-N 3.33Å; L266-F268 PolarHBondContact O-N 2.84Å; L266-I269 PolarHBondContact O-N 3.23Å; L266-Q270 VanDerWaalsContact O-CB 3.26Å; L266-Q270 WeakPolarHBondContact O-CB 3.4Å; L266-Q270 VanDerWaalsContact O-CG 3.24Å; L266-Q270 WeakPolarHBondContact O-CG 3.32Å; L266-Q270 PolarHBondContact O-N 2.7Å; L266-I333 HydrophobicContact CD2-CD1 4.11Å; L266-I333 HydrophobicContact CD2-CG2 4.24Å; L266-L336 HydrophobicContact CD2-CB 4.09Å; L266-L336 HydrophobicContact CD2-CD2 4.13Å; L266-L336 HydrophobicContact CD2-CG 4.29Å; L266-L336 HydrophobicContact CG-CD2 4.09Å; L266-L336 HydrophobicContact CG-CG 4.33Å; L266-E337 HydrophobicContact CD1-CG 3.64Å; L266-E337 HydrophobicContact CD2-CG 3.84Å; L266-E337 HydrophobicContact CG-CG 4.38Å; L266-K340 HydrophobicContact CD1-CD 4.23Å
267	S	96.9	Very high	96.5	Very high	62 Å²	62	55.9 Å²	55.9	43%	0.434	27%	0.269	S	S	.	.	H	α-helix	trans	-54.8	-47.1	177.5	-174.8	0	0	0	0	112.1	K263 E264 R271	K263-S267 WeakPolarHBondContact O-CB 3.19Å; K263-S267 PolarHBondContact O-N 3.4Å; E264-S267 WeakPolarHBondContact O-CB 3.29Å; E264-S267 PolarHBondContact O-N 2.73Å; S267-R271 WeakPolarHBondContact O-CB 3.43Å; S267-R271 PolarHBondContact O-N 2.89Å
268	F	97.7	Very high	96.5	Very high	122 Å²	122	59.3 Å²	59.3	54%	0.535	28%	0.279	S	S	.	.	H	α-helix	trans	-60.2	-53.3	177.1	172	-111.5	0	0	0	112.4	E264 L266 R271 R272	E264-F268 WeakPolarHBondContact O-CB 3.38Å; E264-F268 PolarHBondContact O-N 3.16Å; L266-F268 VanDerWaalsContact C-N 3.33Å; L266-F268 PolarHBondContact O-N 2.84Å; F268-R271 PolarHBondContact O-N 3.44Å; F268-R272 PolarHBondContact O-N 3.26Å
269	I	96.9	Very high	96.5	Very high	4 Å²	4	63 Å²	63	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-69.9	-36.4	-177.1	-59.9	-64.6	0	0	0	111.6	L265 L266 R272 I273 F332 I333 Y466	L265-I269 HydrophobicContact CD1-CG1 4.35Å; L265-I269 WeakPolarHBondContact O-CG1 3.01Å; L265-I269 PolarHBondContact O-N 3.37Å; L265-I269 VanDerWaalsContact O-N 3.13Å; L266-I269 PolarHBondContact O-N 3.23Å; I269-R272 PolarHBondContact O-N 3.21Å; I269-I273 HydrophobicContact CG2-CD1 3.83Å; I269-I273 HydrophobicContact CG2-CG1 4.34Å; I269-I273 WeakPolarHBondContact O-CB 3.47Å; I269-I273 VanDerWaalsContact O-CG1 3.29Å; I269-I273 WeakPolarHBondContact O-CG1 3.49Å; I269-I273 PolarHBondContact O-N 3.44Å; I269-F332 HydrophobicContact CB-CD1 4.27Å; I269-F332 HydrophobicContact CB-CE1 4.06Å; I269-F332 HydrophobicContact CG1-CD1 4.38Å; I269-F332 HydrophobicContact CG1-CE1 3.8Å; I269-F332 HydrophobicContact CG1-CE2 4.36Å; I269-F332 HydrophobicContact CG1-CZ 3.79Å; I269-F332 HydrophobicContact CG2-CD1 4.02Å; I269-F332 HydrophobicContact CG2-CE1 4.28Å; I269-F332 HydrophobicContact CG2-CG 4.25Å; I269-I333 HydrophobicContact CB-CD1 3.92Å; I269-I333 HydrophobicContact CG2-CD1 3.67Å; I269-Y466 HydrophobicContact CD1-CD1 4.43Å; I269-Y466 HydrophobicContact CD1-CD2 4.46Å; I269-Y466 HydrophobicContact CD1-CE1 4.03Å; I269-Y466 HydrophobicContact CD1-CE2 4.06Å; I269-Y466 HydrophobicContact CG2-CD2 4.45Å; I269-Y466 HydrophobicContact CG2-CE2 4.49Å
270	Q	96.9	Very high	96.4	Very high	59 Å²	59	62.9 Å²	62.9	28%	0.276	30%	0.296	S	S	.	.	H	α-helix	trans	-60.6	-45.4	172.2	-75.4	176.1	-14.6	0	0	111.2	L266 I273 S274 Y328 I333 E337	L266-Q270 VanDerWaalsContact O-CB 3.26Å; L266-Q270 WeakPolarHBondContact O-CB 3.4Å; L266-Q270 VanDerWaalsContact O-CG 3.24Å; L266-Q270 WeakPolarHBondContact O-CG 3.32Å; L266-Q270 PolarHBondContact O-N 2.7Å; Q270-I273 PolarHBondContact O-N 3.02Å; Q270-S274 PolarHBondContact O-N 3.09Å; Q270-Y328 HydrophobicContact CG-CE2 4.28Å; Q270-I333 HydrophobicContact CB-CD1 4.49Å; Q270-I333 HydrophobicContact CG-CD1 3.59Å; Q270-I333 HydrophobicContact CG-CG1 4.05Å; Q270-I333 HydrophobicContact CG-CG2 3.89Å; Q270-I333 VanDerWaalsContact NE2-CG2 3.26Å; Q270-E337 PolarHBondContact NE2-OE1 3Å
271	R	97.6	Very high	96.4	Very high	137 Å²	137	65.2 Å²	65.2	52%	0.517	30%	0.298	S	S	.	.	H	α-helix	trans	-67.3	-38.1	178.4	-174.7	54.8	178.7	149	1.4	111.9	S267 F268 S274 L275	S267-R271 WeakPolarHBondContact O-CB 3.43Å; S267-R271 PolarHBondContact O-N 2.89Å; F268-R271 PolarHBondContact O-N 3.44Å; R271-S274 PolarHBondContact NH1-OG 3.35Å; R271-S274 WeakPolarHBondContact O-CB 3.42Å; R271-S274 PolarHBondContact O-N 3.06Å; R271-L275 HydrophobicContact CG-CD1 4.21Å; R271-L275 WeakPolarHBondContact O-CG 3.31Å; R271-L275 PolarHBondContact O-N 2.83Å; R271-L275 VanDerWaalsContact O-N 3.1Å
272	R	96.4	Very high	96.4	Very high	94 Å²	94	63 Å²	63	36%	0.355	30%	0.299	S	S	.	.	H	α-helix	trans	-62.3	-51.8	173.7	-173.2	172.9	-178.5	138.6	9.4	111.5	F268 I269 S274 L275 E276 Y466	F268-R272 PolarHBondContact O-N 3.26Å; I269-R272 PolarHBondContact O-N 3.21Å; R272-S274 PolarHBondContact O-N 2.79Å; R272-L275 PolarHBondContact O-N 3.1Å; R272-E276 HydrophobicContact CG-CG 3.89Å; R272-E276 IonicContact CZ-OE1 2.58Å; R272-E276 IonicContact NE-OE1 3.12Å; R272-E276 PolarHBondContact NE-OE1 2.72Å; R272-E276 IonicContact NH2-OE1 3.68Å; R272-E276 PolarHBondContact NH2-OE1 3.22Å; R272-E276 VanDerWaalsContact O-CG 3.23Å; R272-E276 WeakPolarHBondContact O-CG 3.43Å; R272-E276 PolarHBondContact O-N 3.09Å; R272-Y466 WeakPolarHBondContact CD-OH 3.2Å
273	I	95.7	Very high	96.4	Very high	12 Å²	12	64 Å²	64	6%	0.062	31%	0.305	C	S	.	.	H	α-helix	trans	-52.1	-41.5	176.2	-75.8	169.3	0	0	0	111.4	I269 Q270 S277 M324 L327 Y328 I333	I269-I273 HydrophobicContact CG2-CD1 3.83Å; I269-I273 HydrophobicContact CG2-CG1 4.34Å; I269-I273 WeakPolarHBondContact O-CB 3.47Å; I269-I273 VanDerWaalsContact O-CG1 3.29Å; I269-I273 WeakPolarHBondContact O-CG1 3.49Å; I269-I273 PolarHBondContact O-N 3.44Å; Q270-I273 PolarHBondContact O-N 3.02Å; I273-S277 VanDerWaalsContact O-CB 3.26Å; I273-S277 WeakPolarHBondContact O-CB 3.32Å; I273-S277 PolarHBondContact O-N 2.81Å; I273-S277 VanDerWaalsContact O-N 3.17Å; I273-S277 PolarHBondContact O-OG 2.79Å; I273-M324 HydrophobicContact CB-SD 4.42Å; I273-M324 HydrophobicContact CG1-SD 3.99Å; I273-M324 HydrophobicContact CG2-CB 4.24Å; I273-L327 HydrophobicContact CD1-CB 3.87Å; I273-L327 HydrophobicContact CG1-CB 4.49Å; I273-Y328 HydrophobicContact CG2-CD2 4.26Å; I273-I333 HydrophobicContact CD1-CD1 4.2Å; I273-I333 HydrophobicContact CD1-CG1 3.84Å
274	S	95.3	Very high	96.3	Very high	49 Å²	49	60.6 Å²	60.6	34%	0.343	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-43.7	175.2	178	0	0	0	0	113.2	Q270 R271 R272 E278	Q270-S274 PolarHBondContact O-N 3.09Å; R271-S274 PolarHBondContact NH1-OG 3.35Å; R271-S274 WeakPolarHBondContact O-CB 3.42Å; R271-S274 PolarHBondContact O-N 3.06Å; R272-S274 PolarHBondContact O-N 2.79Å; S274-E278 WeakPolarHBondContact O-CB 3.18Å; S274-E278 PolarHBondContact O-N 2.86Å; S274-E278 VanDerWaalsContact O-N 3.11Å
275	L	97.2	Very high	96.3	Very high	81 Å²	81	63 Å²	63	42%	0.424	30%	0.299	S	S	.	.	H	α-helix	trans	-72.1	-46.8	-177	-73.5	167.9	0	0	0	112	R271 R272 S277 E278 H279	R271-L275 HydrophobicContact CG-CD1 4.21Å; R271-L275 WeakPolarHBondContact O-CG 3.31Å; R271-L275 PolarHBondContact O-N 2.83Å; R271-L275 VanDerWaalsContact O-N 3.1Å; R272-L275 PolarHBondContact O-N 3.1Å; L275-S277 VanDerWaalsContact C-N 3.27Å; L275-S277 PolarHBondContact O-N 3.12Å; L275-E278 PolarHBondContact O-N 3.29Å; L275-E278 VanDerWaalsContact O-N 3.08Å; L275-H279 WeakPolarHBondContact O-CB 3.37Å; L275-H279 PolarHBondContact O-N 3.08Å
276	E	95.1	Very high	96.3	Very high	25 Å²	25	66.8 Å²	66.8	12%	0.117	32%	0.319	C	S	.	.	H	α-helix	trans	-57.4	-43.3	176.5	-57.6	-87.4	-158.8	0	0	110.2	R272 E278 H279 A280 M324	R272-E276 HydrophobicContact CG-CG 3.89Å; R272-E276 IonicContact CZ-OE1 2.58Å; R272-E276 IonicContact NE-OE1 3.12Å; R272-E276 PolarHBondContact NE-OE1 2.72Å; R272-E276 IonicContact NH2-OE1 3.68Å; R272-E276 PolarHBondContact NH2-OE1 3.22Å; R272-E276 VanDerWaalsContact O-CG 3.23Å; R272-E276 WeakPolarHBondContact O-CG 3.43Å; R272-E276 PolarHBondContact O-N 3.09Å; E276-E278 PolarHBondContact O-N 3.35Å; E276-H279 PolarHBondContact O-N 3.49Å; E276-A280 WeakPolarHBondContact O-CB 3.21Å; E276-A280 PolarHBondContact O-N 3.24Å; E276-M324 HydrophobicContact CB-CE 3.65Å; E276-M324 HydrophobicContact CB-CG 4Å; E276-M324 HydrophobicContact CB-SD 3.7Å; E276-M324 HydrophobicContact CG-CE 3.72Å; E276-M324 HydrophobicContact CG-SD 3.97Å
277	S	93.7	Very high	96.2	Very high	14 Å²	14	66.6 Å²	66.6	10%	0.098	32%	0.319	C	S	.	.	H	α-helix	trans	-66.5	-32.4	176.3	-59.7	0	0	0	0	113.8	I273 L275 R281	I273-S277 VanDerWaalsContact O-CB 3.26Å; I273-S277 WeakPolarHBondContact O-CB 3.32Å; I273-S277 PolarHBondContact O-N 2.81Å; I273-S277 VanDerWaalsContact O-N 3.17Å; I273-S277 PolarHBondContact O-OG 2.79Å; L275-S277 VanDerWaalsContact C-N 3.27Å; L275-S277 PolarHBondContact O-N 3.12Å; S277-R281 WeakPolarHBondContact O-CG 3.08Å; S277-R281 PolarHBondContact O-N 3.22Å; S277-R281 PolarHBondContact O-NE 3.2Å; S277-R281 PolarHBondContact O-NH1 2.89Å; S277-R281 PolarHBondContact O-NH2 3.23Å
278	E	95.1	Very high	96.1	Very high	102 Å²	102	67.6 Å²	67.6	48%	0.477	32%	0.322	S	S	.	.	H	α-helix	trans	-76	-40.9	178	-175.2	173	-179.3	0	0	111.3	S274 L275 E276 T282	S274-E278 WeakPolarHBondContact O-CB 3.18Å; S274-E278 PolarHBondContact O-N 2.86Å; S274-E278 VanDerWaalsContact O-N 3.11Å; L275-E278 PolarHBondContact O-N 3.29Å; L275-E278 VanDerWaalsContact O-N 3.08Å; E276-E278 PolarHBondContact O-N 3.35Å; E278-T282 WeakPolarHBondContact O-CB 3.2Å; E278-T282 PolarHBondContact O-N 3.09Å; E278-T282 VanDerWaalsContact O-N 3.12Å; E278-T282 PolarHBondContact O-OG1 2.68Å
279	H	97.2	Very high	96	Very high	92 Å²	92	66.2 Å²	66.2	43%	0.426	32%	0.32	S	S	.	.	H	α-helix	trans	-60.1	-51.8	172.3	176.4	66	0	0	0	111.3	L275 E276 R281 T282 V283 Y317	L275-H279 WeakPolarHBondContact O-CB 3.37Å; L275-H279 PolarHBondContact O-N 3.08Å; E276-H279 PolarHBondContact O-N 3.49Å; H279-R281 PolarHBondContact O-N 2.81Å; H279-T282 WeakPolarHBondContact O-CA 3.4Å; H279-T282 WeakPolarHBondContact O-CB 3.44Å; H279-T282 PolarHBondContact O-N 2.96Å; H279-V283 PolarHBondContact O-N 2.84Å; H279-Y317 AromaticContact CD2-CE1 3.88Å; H279-Y317 AromaticContact NE2-CE1 3.93Å; H279-Y317 AromaticContact NE2-CZ 3.99Å; H279-Y317 PolarHBondContact NE2-OH 3.15Å
280	A	96.4	Very high	95.8	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-53	-52	179.5	0	0	0	0	0	112.7	E276 T282 V283 Q284 Y317 V321	E276-A280 WeakPolarHBondContact O-CB 3.21Å; E276-A280 PolarHBondContact O-N 3.24Å; A280-T282 PolarHBondContact O-N 3.36Å; A280-V283 PolarHBondContact O-N 3.11Å; A280-Q284 WeakPolarHBondContact O-CB 3.36Å; A280-Q284 WeakPolarHBondContact O-CG 3.36Å; A280-Q284 PolarHBondContact O-N 3.41Å; A280-Y317 HydrophobicContact CB-CD1 3.62Å; A280-Y317 HydrophobicContact CB-CE1 4.48Å; A280-Y317 HydrophobicContact CB-CG 4.2Å; A280-V321 HydrophobicContact CB-CG2 3.82Å
281	R	94.6	Very high	95.8	Very high	134 Å²	134	66.4 Å²	66.4	51%	0.506	33%	0.33	S	S	.	.	H	α-helix	trans	-62.6	-30.2	177	-71.1	-177.2	-68	-100.1	0.1	113.3	S277 H279 K285	S277-R281 WeakPolarHBondContact O-CG 3.08Å; S277-R281 PolarHBondContact O-N 3.22Å; S277-R281 PolarHBondContact O-NE 3.2Å; S277-R281 PolarHBondContact O-NH1 2.89Å; S277-R281 PolarHBondContact O-NH2 3.23Å; H279-R281 PolarHBondContact O-N 2.81Å; R281-K285 WeakPolarHBondContact O-CB 3.32Å; R281-K285 PolarHBondContact O-N 2.8Å; R281-K285 VanDerWaalsContact O-N 3.16Å
282	T	96.7	Very high	95.5	Very high	88 Å²	88	65.2 Å²	65.2	54%	0.54	33%	0.333	S	S	.	.	H	α-helix	trans	-73	-43.3	178.1	-59	0	0	0	0	111.2	E278 H279 A280 K285 L286	E278-T282 WeakPolarHBondContact O-CB 3.2Å; E278-T282 PolarHBondContact O-N 3.09Å; E278-T282 VanDerWaalsContact O-N 3.12Å; E278-T282 PolarHBondContact O-OG1 2.68Å; H279-T282 WeakPolarHBondContact O-CA 3.4Å; H279-T282 WeakPolarHBondContact O-CB 3.44Å; H279-T282 PolarHBondContact O-N 2.96Å; A280-T282 PolarHBondContact O-N 3.36Å; T282-K285 PolarHBondContact O-N 3.32Å; T282-L286 PolarHBondContact O-N 3.37Å
283	V	96.8	Very high	95.3	Very high	22 Å²	22	63.7 Å²	63.7	13%	0.133	34%	0.34	C	S	.	.	H	α-helix	trans	-68.7	-43.2	175.9	-176.5	0	0	0	0	111	H279 A280 K285 L286 N287 Y317	H279-V283 PolarHBondContact O-N 2.84Å; A280-V283 PolarHBondContact O-N 3.11Å; V283-K285 VanDerWaalsContact C-N 3.25Å; V283-K285 PolarHBondContact O-N 2.93Å; V283-L286 WeakPolarHBondContact O-CA 3.29Å; V283-L286 WeakPolarHBondContact O-CB 3.34Å; V283-L286 PolarHBondContact O-N 3.14Å; V283-N287 WeakPolarHBondContact O-CB 3.43Å; V283-N287 PolarHBondContact O-N 2.96Å; V283-Y317 HydrophobicContact CB-CD2 4.09Å; V283-Y317 HydrophobicContact CB-CE2 3.73Å; V283-Y317 HydrophobicContact CG1-CD2 3.94Å; V283-Y317 HydrophobicContact CG1-CE2 3.4Å; V283-Y317 HydrophobicContact CG2-CE2 4.25Å
284	Q	95.8	Very high	95.1	Very high	35 Å²	35	65.4 Å²	65.4	16%	0.164	35%	0.349	C	S	.	.	H	α-helix	trans	-55.5	-40	173.5	-73.2	177.4	-36.8	0	0	112.4	A280 N287 V288 D318	A280-Q284 WeakPolarHBondContact O-CB 3.36Å; A280-Q284 WeakPolarHBondContact O-CG 3.36Å; A280-Q284 PolarHBondContact O-N 3.41Å; Q284-N287 PolarHBondContact O-N 2.88Å; Q284-V288 WeakPolarHBondContact O-CG2 3.43Å; Q284-V288 PolarHBondContact O-N 2.85Å; Q284-D318 VanDerWaalsContact NE2-CG 3.26Å; Q284-D318 PolarHBondContact NE2-OD1 3.39Å
285	K	95.9	Very high	94.9	Very high	149 Å²	149	65.4 Å²	65.4	65%	0.648	35%	0.349	S	S	*	.	H	α-helix	trans	-67.4	-38.7	175.3	-175.1	179.4	178.5	-177.3	0	113	R281 T282 V283 N287 N289	R281-K285 WeakPolarHBondContact O-CB 3.32Å; R281-K285 PolarHBondContact O-N 2.8Å; R281-K285 VanDerWaalsContact O-N 3.16Å; T282-K285 PolarHBondContact O-N 3.32Å; V283-K285 VanDerWaalsContact C-N 3.25Å; V283-K285 PolarHBondContact O-N 2.93Å; K285-N287 VanDerWaalsContact C-N 3.34Å; K285-N289 PolarHBondContact O-N 3.47Å; K285-N289 PolarHBondContact O-ND2 3.43Å
286	L	97	Very high	94.5	Very high	110 Å²	110	68.5 Å²	68.5	58%	0.576	37%	0.365	S	S	*	.	H	α-helix	trans	-61.1	-45.6	171.1	174.6	62.9	0	0	0	110.5	T282 V283 V288 N289 A290	T282-L286 PolarHBondContact O-N 3.37Å; V283-L286 WeakPolarHBondContact O-CA 3.29Å; V283-L286 WeakPolarHBondContact O-CB 3.34Å; V283-L286 PolarHBondContact O-N 3.14Å; L286-V288 PolarHBondContact O-N 3.45Å; L286-N289 WeakPolarHBondContact O-CB 3.37Å; L286-N289 PolarHBondContact O-N 3.41Å; L286-N289 VanDerWaalsContact O-N 3.13Å; L286-A290 WeakPolarHBondContact O-CB 3.33Å; L286-A290 PolarHBondContact O-N 3.07Å
287	N	96.3	Very high	94	Very high	8 Å²	8	73.2 Å²	73.2	4%	0.043	39%	0.387	C	S	.	.	H	α-helix	trans	-66.5	-36.1	-176.4	-80.7	10.5	0	0	0	113.2	V283 Q284 K285 S291 I310 E313 N314	V283-N287 WeakPolarHBondContact O-CB 3.43Å; V283-N287 PolarHBondContact O-N 2.96Å; Q284-N287 PolarHBondContact O-N 2.88Å; K285-N287 VanDerWaalsContact C-N 3.34Å; N287-S291 WeakPolarHBondContact O-CB 3.24Å; N287-S291 PolarHBondContact O-N 3.34Å; N287-I310 HydrophobicContact CB-CG2 3.91Å; N287-E313 WeakPolarHBondContact ND2-CB 3.45Å; N287-E313 PolarHBondContact ND2-OE2 3.11Å; N287-N314 WeakPolarHBondContact CB-OD1 3.43Å; N287-N314 PolarHBondContact ND2-OD1 2.85Å
288	V	94.2	Very high	93.6	Very high	82 Å²	82	75.7 Å²	75.7	50%	0.497	41%	0.405	S	S	.	.	H	α-helix	trans	-60.6	-48.1	168.8	169.1	0	0	0	0	111.2	Q284 L286 S291 L292	Q284-V288 WeakPolarHBondContact O-CG2 3.43Å; Q284-V288 PolarHBondContact O-N 2.85Å; L286-V288 PolarHBondContact O-N 3.45Å; V288-S291 PolarHBondContact O-N 2.98Å; V288-L292 HydrophobicContact CG1-CD1 4.23Å; V288-L292 WeakPolarHBondContact O-CG 3.28Å; V288-L292 PolarHBondContact O-N 3.42Å; V288-L292 VanDerWaalsContact O-N 3.11Å
289	N	94.2	Very high	93.2	Very high	94 Å²	94	74.2 Å²	74.2	50%	0.503	40%	0.395	S	S	.	.	H	α-helix	trans	-65	-42.9	-179.9	-65.7	-24.8	0	0	0	112.1	K285 L286 L292 A293	K285-N289 PolarHBondContact O-N 3.47Å; K285-N289 PolarHBondContact O-ND2 3.43Å; L286-N289 WeakPolarHBondContact O-CB 3.37Å; L286-N289 PolarHBondContact O-N 3.41Å; L286-N289 VanDerWaalsContact O-N 3.13Å; N289-L292 PolarHBondContact O-N 2.91Å; N289-A293 PolarHBondContact O-N 3.32Å
290	A	94.5	Very high	93	Very high	27 Å²	27	73.5 Å²	73.5	22%	0.223	39%	0.394	C	S	.	.	H	α-helix	trans	-65.4	-43.3	178	0	0	0	0	0	111.6	L286 L292 A293 I294 I310	L286-A290 WeakPolarHBondContact O-CB 3.33Å; L286-A290 PolarHBondContact O-N 3.07Å; A290-L292 VanDerWaalsContact C-N 3.34Å; A290-L292 PolarHBondContact O-N 3.38Å; A290-A293 PolarHBondContact O-N 3.49Å; A290-I294 HydrophobicContact CB-CD1 4.5Å; A290-I294 WeakPolarHBondContact O-CB 3.19Å; A290-I294 VanDerWaalsContact O-CG1 3.26Å; A290-I294 WeakPolarHBondContact O-CG1 3.47Å; A290-I294 PolarHBondContact O-N 3.41Å; A290-I310 HydrophobicContact CB-CD1 3.95Å
291	S	95.2	Very high	92.9	Very high	40 Å²	40	77.2 Å²	77.2	28%	0.28	42%	0.419	S	S	.	.	H	α-helix	trans	-58	-45.8	175.8	-171.5	0	0	0	0	111.8	N287 V288 S295	N287-S291 WeakPolarHBondContact O-CB 3.24Å; N287-S291 PolarHBondContact O-N 3.34Å; V288-S291 PolarHBondContact O-N 2.98Å; S291-S295 WeakPolarHBondContact O-CB 3.35Å; S291-S295 PolarHBondContact O-N 3.43Å; S291-S295 PolarHBondContact O-OG 2.85Å
292	L	92.7	Very high	92.8	Very high	112 Å²	112	72.7 Å²	72.7	59%	0.586	40%	0.404	S	S	*	.	H	α-helix	trans	-60.8	-50.4	176.1	-71.7	169	0	0	0	111.4	V288 N289 A290 S295 L296	V288-L292 HydrophobicContact CG1-CD1 4.23Å; V288-L292 WeakPolarHBondContact O-CG 3.28Å; V288-L292 PolarHBondContact O-N 3.42Å; V288-L292 VanDerWaalsContact O-N 3.11Å; N289-L292 PolarHBondContact O-N 2.91Å; A290-L292 VanDerWaalsContact C-N 3.34Å; A290-L292 PolarHBondContact O-N 3.38Å; L292-S295 PolarHBondContact O-N 3.45Å; L292-L296 PolarHBondContact O-N 3.22Å
293	A	91.7	Very high	92.7	Very high	61 Å²	61	71.2 Å²	71.2	50%	0.504	39%	0.389	S	S	.	.	H	α-helix	trans	-63.6	-44.7	-178.3	0	0	0	0	0	113.2	N289 A290 S295 L296	N289-A293 PolarHBondContact O-N 3.32Å; A290-A293 PolarHBondContact O-N 3.49Å; A293-S295 PolarHBondContact O-N 3.5Å; A293-L296 PolarHBondContact O-N 3.27Å
294	I	92.2	Very high	92.4	Very high	49 Å²	49	74.1 Å²	74.1	25%	0.251	40%	0.403	S	S	.	.	H	α-helix	trans	-67.5	-26.5	177.1	-67.6	166.7	0	0	0	111.2	A290 R303 L307 I310	A290-I294 HydrophobicContact CB-CD1 4.5Å; A290-I294 WeakPolarHBondContact O-CB 3.19Å; A290-I294 VanDerWaalsContact O-CG1 3.26Å; A290-I294 WeakPolarHBondContact O-CG1 3.47Å; A290-I294 PolarHBondContact O-N 3.41Å; I294-R303 HydrophobicContact CG2-CG 3.88Å; I294-R303 PolarHBondContact O-NE 3.07Å; I294-L307 HydrophobicContact CB-CD2 4.27Å; I294-L307 HydrophobicContact CG2-CD1 4.47Å; I294-L307 HydrophobicContact CG2-CD2 3.95Å; I294-L307 HydrophobicContact CG2-CG 3.97Å; I294-I310 HydrophobicContact CD1-CD1 3.85Å
295	S	90.6	Very high	92.4	Very high	49 Å²	49	74.1 Å²	74.1	34%	0.343	40%	0.404	S	S	.	.	H	α-helix	trans	-76.7	-23.1	-179.4	-67.5	0	0	0	0	114.3	S291 L292 A293 E297 R303	S291-S295 WeakPolarHBondContact O-CB 3.35Å; S291-S295 PolarHBondContact O-N 3.43Å; S291-S295 PolarHBondContact O-OG 2.85Å; L292-S295 PolarHBondContact O-N 3.45Å; A293-S295 PolarHBondContact O-N 3.5Å; S295-E297 PolarHBondContact O-N 3.25Å; S295-R303 PolarHBondContact O-NH2 3.31Å
296	L	89.7	Confident	92.4	Very high	145 Å²	145	73.4 Å²	73.4	76%	0.759	40%	0.398	S	S	*	.	S	Bend	trans	-55	-46.3	-174.5	-66.2	176.3	0	0	0	113.3	L292 A293	L292-L296 PolarHBondContact O-N 3.22Å; A293-L296 PolarHBondContact O-N 3.27Å
297	E	82.9	Confident	92.3	Very high	124 Å²	124	70 Å²	70	58%	0.579	38%	0.38	S	S	*	.	S	Bend	trans	-103.2	151.9	-173.8	-76.9	-63.8	170.5	0	0	112.8	S295 L300 R303	S295-E297 PolarHBondContact O-N 3.25Å; E297-L300 HydrophobicContact CB-CD1 3.74Å; E297-L300 HydrophobicContact CB-CD2 4.46Å; E297-L300 HydrophobicContact CB-CG 3.99Å; E297-R303 WeakPolarHBondContact O-CD 3.33Å; E297-R303 PolarHBondContact O-NE 3.25Å
298	S	85.4	Confident	92.3	Very high	66 Å²	66	72.2 Å²	72.2	46%	0.462	40%	0.396	S	S	.	.	S	Bend	trans	-106.7	161	179.9	63	0	0	0	0	111.4	L300	S298-L300 PolarHBondContact O-N 2.97Å; S298-L300 VanDerWaalsContact O-N 3.15Å
299	Y	88.3	Confident	92.4	Very high	72 Å²	72	69.3 Å²	69.3	28%	0.282	38%	0.38	S	S	.	.	S	Bend	trans	57.8	25.3	-179.8	-51.9	-79.3	0	0	0	115.5	Y496 E499 Y500 K503	Y299-Y496 VanDerWaalsContact O-CB 3.22Å; Y299-Y496 WeakPolarHBondContact O-CB 3.37Å; Y299-E499 HydrophobicContact CD1-CB 3.78Å; Y299-E499 HydrophobicContact CE1-CB 3.95Å; Y299-Y500 HydrophobicContact CD2-CD2 4.04Å; Y299-Y500 HydrophobicContact CG-CD2 4.43Å; Y299-K503 HydrophobicContact CE2-CD 4.03Å; Y299-K503 WeakPolarHBondContact OH-CD 3.21Å
300	L	92.8	Very high	92.5	Very high	76 Å²	76	65.5 Å²	65.5	40%	0.398	36%	0.359	S	S	.	.			trans	-78.7	142.9	172.9	-68	-175.3	0	0	0	112.4	E297 S298 R303	E297-L300 HydrophobicContact CB-CD1 3.74Å; E297-L300 HydrophobicContact CB-CD2 4.46Å; E297-L300 HydrophobicContact CB-CG 3.99Å; S298-L300 PolarHBondContact O-N 2.97Å; S298-L300 VanDerWaalsContact O-N 3.15Å; L300-R303 HydrophobicContact CB-CB 4.19Å; L300-R303 WeakPolarHBondContact O-CB 3.34Å
301	P	93.1	Very high	92.6	Very high	79 Å²	79	70.4 Å²	70.4	51%	0.513	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	140.3	176.9	27.9	-36.3	0	0	0	111.4	R303 Y491	P301-R303 PolarHBondContact O-N 2.76Å; P301-Y491 HydrophobicContact CB-CE1 4.31Å; P301-Y491 WeakPolarHBondContact CB-OH 3.16Å
302	L	93.5	Very high	92.7	Very high	38 Å²	38	69.6 Å²	69.6	20%	0.199	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	4.4	176.4	-55.9	174.5	0	0	0	116.5	N304 I305 Y306 V488 Y491	L302-N304 VanDerWaalsContact C-N 3.29Å; L302-N304 PolarHBondContact O-N 3.36Å; L302-N304 VanDerWaalsContact O-N 3.11Å; L302-I305 HydrophobicContact CD2-CD1 3.82Å; L302-I305 WeakPolarHBondContact O-CA 3.31Å; L302-I305 WeakPolarHBondContact O-CB 3.42Å; L302-I305 PolarHBondContact O-N 2.9Å; L302-Y306 HydrophobicContact CB-CD2 3.99Å; L302-Y306 HydrophobicContact CB-CE2 3.95Å; L302-Y306 HydrophobicContact CD1-CE2 4.39Å; L302-Y306 PolarHBondContact O-N 3.16Å; L302-Y306 VanDerWaalsContact O-N 3.07Å; L302-V488 HydrophobicContact CD2-CG2 4.42Å; L302-Y491 HydrophobicContact CD2-CD1 3.55Å; L302-Y491 HydrophobicContact CD2-CD2 4.1Å; L302-Y491 HydrophobicContact CD2-CE1 4.2Å; L302-Y491 HydrophobicContact CD2-CG 3.48Å; L302-Y491 VanDerWaalsContact CD2-CG 3.48Å; L302-Y491 HydrophobicContact CG-CD1 4.09Å; L302-Y491 HydrophobicContact CG-CE1 4.29Å; L302-Y491 HydrophobicContact CG-CG 4.41Å
303	R	93.3	Very high	92.8	Very high	58 Å²	58	66.1 Å²	66.1	22%	0.219	35%	0.349	C	S	.	.	H	α-helix	trans	-45.6	-48.9	-175.2	-176.9	-174.5	178.7	-81.4	8.2	113.4	I294 S295 E297 L300 P301 I305 Y306 L307	I294-R303 HydrophobicContact CG2-CG 3.88Å; I294-R303 PolarHBondContact O-NE 3.07Å; S295-R303 PolarHBondContact O-NH2 3.31Å; E297-R303 WeakPolarHBondContact O-CD 3.33Å; E297-R303 PolarHBondContact O-NE 3.25Å; L300-R303 HydrophobicContact CB-CB 4.19Å; L300-R303 WeakPolarHBondContact O-CB 3.34Å; P301-R303 PolarHBondContact O-N 2.76Å; R303-I305 VanDerWaalsContact C-N 3.32Å; R303-I305 PolarHBondContact O-N 3.44Å; R303-Y306 PolarHBondContact O-N 2.97Å; R303-L307 HydrophobicContact CG-CD1 4.16Å; R303-L307 WeakPolarHBondContact O-CG 3.39Å; R303-L307 PolarHBondContact O-N 3.33Å
304	N	92.2	Very high	93	Very high	83 Å²	83	65 Å²	65	44%	0.444	33%	0.334	S	S	.	.	H	α-helix	trans	-72.5	-24	-176.9	-61.9	-16.3	0	0	0	113	L302 S308	L302-N304 VanDerWaalsContact C-N 3.29Å; L302-N304 PolarHBondContact O-N 3.36Å; L302-N304 VanDerWaalsContact O-N 3.11Å; N304-S308 WeakPolarHBondContact O-CB 3.12Å; N304-S308 PolarHBondContact O-N 3.21Å; N304-S308 VanDerWaalsContact O-N 3.1Å; N304-S308 PolarHBondContact O-OG 3.49Å
305	I	94.7	Very high	93.2	Very high	34 Å²	34	66 Å²	66	17%	0.174	34%	0.34	C	S	.	.	H	α-helix	trans	-75.1	-44.3	173.4	-68.6	168.2	0	0	0	109.7	L302 R303 S308 S309 L484 N487 V488	L302-I305 HydrophobicContact CD2-CD1 3.82Å; L302-I305 WeakPolarHBondContact O-CA 3.31Å; L302-I305 WeakPolarHBondContact O-CB 3.42Å; L302-I305 PolarHBondContact O-N 2.9Å; R303-I305 VanDerWaalsContact C-N 3.32Å; R303-I305 PolarHBondContact O-N 3.44Å; I305-S308 WeakPolarHBondContact O-CB 3.16Å; I305-S308 PolarHBondContact O-N 2.82Å; I305-S308 VanDerWaalsContact O-N 3.16Å; I305-S309 PolarHBondContact O-N 2.76Å; I305-L484 HydrophobicContact CG2-CD2 4.25Å; I305-N487 HydrophobicContact CD1-CB 4.01Å; I305-N487 HydrophobicContact CG1-CB 4.37Å; I305-V488 HydrophobicContact CD1-CG2 4.07Å; I305-V488 HydrophobicContact CG2-CG2 3.86Å
306	Y	95.8	Very high	93.5	Very high	135 Å²	135	63.9 Å²	63.9	53%	0.529	33%	0.325	S	S	.	.	H	α-helix	trans	-61.9	-45.4	174	-80	-72.1	0	0	0	112.6	L302 R303 S308 S309 I310	L302-Y306 HydrophobicContact CB-CD2 3.99Å; L302-Y306 HydrophobicContact CB-CE2 3.95Å; L302-Y306 HydrophobicContact CD1-CE2 4.39Å; L302-Y306 PolarHBondContact O-N 3.16Å; L302-Y306 VanDerWaalsContact O-N 3.07Å; R303-Y306 PolarHBondContact O-N 2.97Å; Y306-S308 PolarHBondContact O-N 2.91Å; Y306-S309 WeakPolarHBondContact O-CB 3.09Å; Y306-S309 PolarHBondContact O-N 3.14Å; Y306-S309 VanDerWaalsContact O-N 3.13Å; Y306-I310 WeakPolarHBondContact O-CG1 3.27Å; Y306-I310 PolarHBondContact O-N 3.44Å
307	L	95.7	Very high	93.9	Very high	37 Å²	37	58.4 Å²	58.4	19%	0.194	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-31	174.4	-67.5	173.5	0	0	0	112.5	I294 R303 K311	I294-L307 HydrophobicContact CB-CD2 4.27Å; I294-L307 HydrophobicContact CG2-CD1 4.47Å; I294-L307 HydrophobicContact CG2-CD2 3.95Å; I294-L307 HydrophobicContact CG2-CG 3.97Å; R303-L307 HydrophobicContact CG-CD1 4.16Å; R303-L307 WeakPolarHBondContact O-CG 3.39Å; R303-L307 PolarHBondContact O-N 3.33Å; L307-K311 PolarHBondContact O-N 3.08Å
308	S	96.2	Very high	94.5	Very high	55 Å²	55	56.8 Å²	56.8	39%	0.385	29%	0.29	S	S	.	.	H	α-helix	trans	-70.8	-40	172.2	-60.3	0	0	0	0	112.4	N304 I305 Y306 K311 I312	N304-S308 WeakPolarHBondContact O-CB 3.12Å; N304-S308 PolarHBondContact O-N 3.21Å; N304-S308 VanDerWaalsContact O-N 3.1Å; N304-S308 PolarHBondContact O-OG 3.49Å; I305-S308 WeakPolarHBondContact O-CB 3.16Å; I305-S308 PolarHBondContact O-N 2.82Å; I305-S308 VanDerWaalsContact O-N 3.16Å; Y306-S308 PolarHBondContact O-N 2.91Å; S308-K311 PolarHBondContact O-N 3.35Å; S308-I312 WeakPolarHBondContact O-CD1 3.35Å; S308-I312 WeakPolarHBondContact O-CG1 3.47Å; S308-I312 PolarHBondContact O-N 3.32Å
309	S	96.3	Very high	95	Very high	21 Å²	21	56 Å²	56	15%	0.147	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-49.4	175.4	-159.2	0	0	0	0	111.5	I305 Y306 K311 I312 E313	I305-S309 PolarHBondContact O-N 2.76Å; Y306-S309 WeakPolarHBondContact O-CB 3.09Å; Y306-S309 PolarHBondContact O-N 3.14Å; Y306-S309 VanDerWaalsContact O-N 3.13Å; S309-K311 PolarHBondContact O-N 3.26Å; S309-I312 PolarHBondContact O-N 2.88Å; S309-I312 VanDerWaalsContact O-N 3.07Å; S309-E313 PolarHBondContact O-N 3.18Å
310	I	96.8	Very high	95.4	Very high	14 Å²	14	52.7 Å²	52.7	7%	0.072	27%	0.271	C	S	.	.	H	α-helix	trans	-55.6	-39.3	176.2	-73.1	171.7	0	0	0	111.3	N287 A290 I294 Y306 N314	N287-I310 HydrophobicContact CB-CG2 3.91Å; A290-I310 HydrophobicContact CB-CD1 3.95Å; I294-I310 HydrophobicContact CD1-CD1 3.85Å; Y306-I310 WeakPolarHBondContact O-CG1 3.27Å; Y306-I310 PolarHBondContact O-N 3.44Å; I310-N314 WeakPolarHBondContact O-CB 3.38Å; I310-N314 PolarHBondContact O-N 2.79Å; I310-N314 VanDerWaalsContact O-N 3.1Å; I310-N314 PolarHBondContact O-ND2 3.03Å
311	K	96.2	Very high	95.6	Very high	131 Å²	131	51 Å²	51	57%	0.57	26%	0.264	S	S	*	.	H	α-helix	trans	-66.9	-50.3	173.9	-176.2	-178.7	173.6	-173.8	0	111.9	L307 S308 S309 E313 N314 D315	L307-K311 PolarHBondContact O-N 3.08Å; S308-K311 PolarHBondContact O-N 3.35Å; S309-K311 PolarHBondContact O-N 3.26Å; K311-E313 PolarHBondContact O-N 2.74Å; K311-N314 PolarHBondContact O-N 3.47Å; K311-D315 WeakPolarHBondContact CE-OD2 3.38Å; K311-D315 PolarHBondContact O-N 3.4Å
312	I	96.2	Very high	95.7	Very high	23 Å²	23	52.1 Å²	52.1	12%	0.118	27%	0.266	C	S	.	.	H	α-helix	trans	-57.5	-39	-178.7	-75.8	160.1	0	0	0	111.4	S308 S309 F316 L477 Q480 L484	S308-I312 WeakPolarHBondContact O-CD1 3.35Å; S308-I312 WeakPolarHBondContact O-CG1 3.47Å; S308-I312 PolarHBondContact O-N 3.32Å; S309-I312 PolarHBondContact O-N 2.88Å; S309-I312 VanDerWaalsContact O-N 3.07Å; I312-F316 WeakPolarHBondContact O-CB 3.22Å; I312-F316 PolarHBondContact O-N 3.13Å; I312-F316 VanDerWaalsContact O-N 3.11Å; I312-L477 HydrophobicContact CG2-CD2 4.09Å; I312-Q480 HydrophobicContact CD1-CB 4.18Å; I312-Q480 HydrophobicContact CG1-CB 4.5Å; I312-Q480 HydrophobicContact CG2-CB 3.76Å; I312-Q480 HydrophobicContact CG2-CG 4.45Å; I312-L484 HydrophobicContact CD1-CD1 3.81Å; I312-L484 HydrophobicContact CD1-CD2 4.18Å; I312-L484 HydrophobicContact CD1-CG 4.09Å
313	E	95.7	Very high	95.8	Very high	39 Å²	39	51.5 Å²	51.5	18%	0.182	26%	0.264	C	S	.	.	H	α-helix	trans	-66	-45.8	172.6	-74.9	167.5	-156.7	0	0	112.5	N287 S309 K311 F316 Y317 Y481	N287-E313 WeakPolarHBondContact ND2-CB 3.45Å; N287-E313 PolarHBondContact ND2-OE2 3.11Å; S309-E313 PolarHBondContact O-N 3.18Å; K311-E313 PolarHBondContact O-N 2.74Å; E313-F316 CarbonylContact O-C 3.6Å; E313-F316 WeakPolarHBondContact O-CB 3.33Å; E313-F316 PolarHBondContact O-N 3.33Å; E313-Y317 HydrophobicContact CB-CD2 4.3Å; E313-Y317 HydrophobicContact CB-CE2 4.24Å; E313-Y317 WeakPolarHBondContact O-CD2 3.33Å; E313-Y317 PolarHBondContact O-N 2.68Å; E313-Y481 WeakPolarHBondContact CG-OH 3.39Å; E313-Y481 PolarHBondContact OE1-OH 3.36Å
314	N	95.6	Very high	96	Very high	36 Å²	36	48.9 Å²	48.9	19%	0.193	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-46.1	178.5	-73	-9.5	0	0	0	111.8	N287 I310 K311 F316 Y317 D318	N287-N314 WeakPolarHBondContact CB-OD1 3.43Å; N287-N314 PolarHBondContact ND2-OD1 2.85Å; I310-N314 WeakPolarHBondContact O-CB 3.38Å; I310-N314 PolarHBondContact O-N 2.79Å; I310-N314 VanDerWaalsContact O-N 3.1Å; I310-N314 PolarHBondContact O-ND2 3.03Å; K311-N314 PolarHBondContact O-N 3.47Å; N314-F316 PolarHBondContact O-N 3.46Å; N314-Y317 PolarHBondContact O-N 3.36Å; N314-Y317 VanDerWaalsContact O-N 3.11Å; N314-D318 PolarHBondContact O-N 2.96Å
315	D	95.8	Very high	96.1	Very high	72 Å²	72	50.6 Å²	50.6	39%	0.385	26%	0.257	S	S	.	.	H	α-helix	trans	-57.6	-36.5	175.6	-66.1	-11.6	0	0	0	111	K311 S319	K311-D315 WeakPolarHBondContact CE-OD2 3.38Å; K311-D315 PolarHBondContact O-N 3.4Å; D315-S319 PolarHBondContact O-N 3.48Å; D315-S319 PolarHBondContact O-OG 2.89Å
316	F	97.5	Very high	96.1	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-71.5	-43.3	172.9	168	-95.6	0	0	0	113.2	I312 E313 N314 S319 C320 L473 W474 L476 L477	I312-F316 WeakPolarHBondContact O-CB 3.22Å; I312-F316 PolarHBondContact O-N 3.13Å; I312-F316 VanDerWaalsContact O-N 3.11Å; E313-F316 CarbonylContact O-C 3.6Å; E313-F316 WeakPolarHBondContact O-CB 3.33Å; E313-F316 PolarHBondContact O-N 3.33Å; N314-F316 PolarHBondContact O-N 3.46Å; F316-S319 CarbonylContact O-C 3.58Å; F316-S319 WeakPolarHBondContact O-CB 3.48Å; F316-S319 PolarHBondContact O-N 3.41Å; F316-C320 PolarHBondContact O-N 3.18Å; F316-L473 HydrophobicContact CD2-CD1 4.02Å; F316-L473 HydrophobicContact CE2-CD1 3.6Å; F316-L473 HydrophobicContact CE2-CG 3.75Å; F316-L473 WeakPolarHBondContact CE2-O 3.48Å; F316-L473 HydrophobicContact CZ-CD1 4.18Å; F316-L473 HydrophobicContact CZ-CG 4.12Å; F316-W474 HydrophobicContact CE1-CH2 4.4Å; F316-W474 HydrophobicContact CE1-CZ3 4.06Å; F316-W474 HydrophobicContact CE2-CE3 4.17Å; F316-W474 HydrophobicContact CE2-CZ3 4.38Å; F316-W474 HydrophobicContact CZ-CD2 4.3Å; F316-W474 AromaticContact CZ-CE3 3.66Å; F316-W474 HydrophobicContact CZ-CE3 3.66Å; F316-W474 AromaticContact CZ-CH2 3.93Å; F316-W474 HydrophobicContact CZ-CH2 3.93Å; F316-W474 AromaticContact CZ-CZ3 3.46Å; F316-W474 HydrophobicContact CZ-CZ3 3.46Å; F316-W474 VanDerWaalsContact CZ-CZ3 3.46Å; F316-L476 HydrophobicContact CD2-CB 4.23Å; F316-L476 HydrophobicContact CD2-CD1 4.39Å; F316-L477 HydrophobicContact CB-CD2 3.74Å; F316-L477 HydrophobicContact CB-CG 4.25Å; F316-L477 HydrophobicContact CD1-CD1 3.83Å; F316-L477 HydrophobicContact CD1-CD2 4.39Å; F316-L477 HydrophobicContact CD1-CG 4.34Å; F316-L477 HydrophobicContact CD2-CD1 3.79Å; F316-L477 HydrophobicContact CD2-CD2 4.1Å; F316-L477 HydrophobicContact CD2-CG 3.63Å; F316-L477 HydrophobicContact CE1-CD1 3.86Å; F316-L477 HydrophobicContact CE2-CD1 3.79Å; F316-L477 HydrophobicContact CE2-CG 4.03Å; F316-L477 HydrophobicContact CG-CD1 3.8Å; F316-L477 HydrophobicContact CG-CD2 3.81Å; F316-L477 HydrophobicContact CG-CG 3.79Å; F316-L477 HydrophobicContact CZ-CD1 3.84Å
317	Y	97.3	Very high	96.1	Very high	30 Å²	30	46 Å²	46	12%	0.118	24%	0.24	C	C	.	.	H	α-helix	trans	-73.3	-29.7	-177.8	-76.4	-60.3	0	0	0	113	H279 A280 V283 E313 N314 C320 V321	H279-Y317 AromaticContact CD2-CE1 3.88Å; H279-Y317 AromaticContact NE2-CE1 3.93Å; H279-Y317 AromaticContact NE2-CZ 3.99Å; H279-Y317 PolarHBondContact NE2-OH 3.15Å; A280-Y317 HydrophobicContact CB-CD1 3.62Å; A280-Y317 HydrophobicContact CB-CE1 4.48Å; A280-Y317 HydrophobicContact CB-CG 4.2Å; V283-Y317 HydrophobicContact CB-CD2 4.09Å; V283-Y317 HydrophobicContact CB-CE2 3.73Å; V283-Y317 HydrophobicContact CG1-CD2 3.94Å; V283-Y317 HydrophobicContact CG1-CE2 3.4Å; V283-Y317 HydrophobicContact CG2-CE2 4.25Å; E313-Y317 HydrophobicContact CB-CD2 4.3Å; E313-Y317 HydrophobicContact CB-CE2 4.24Å; E313-Y317 WeakPolarHBondContact O-CD2 3.33Å; E313-Y317 PolarHBondContact O-N 2.68Å; N314-Y317 PolarHBondContact O-N 3.36Å; N314-Y317 VanDerWaalsContact O-N 3.11Å; Y317-C320 HydrophobicContact CD1-CB 4.48Å; Y317-C320 WeakPolarHBondContact O-CB 3.3Å; Y317-C320 PolarHBondContact O-N 2.98Å; Y317-V321 WeakPolarHBondContact O-CG2 3.49Å; Y317-V321 PolarHBondContact O-N 2.89Å
318	D	96.1	Very high	96.1	Very high	90 Å²	90	48.6 Å²	48.6	48%	0.481	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-47	166.7	-76.6	-36.8	0	0	0	110.4	Q284 N314 C320 V321 D322	Q284-D318 VanDerWaalsContact NE2-CG 3.26Å; Q284-D318 PolarHBondContact NE2-OD1 3.39Å; N314-D318 PolarHBondContact O-N 2.96Å; D318-C320 VanDerWaalsContact C-N 3.26Å; D318-C320 PolarHBondContact O-N 3.27Å; D318-V321 PolarHBondContact O-N 2.95Å; D318-D322 PolarHBondContact O-N 3.09Å
319	S	96.4	Very high	96	Very high	48 Å²	48	47.7 Å²	47.7	34%	0.336	24%	0.239	S	C	.	.	H	α-helix	trans	-57.7	-38.5	173.3	-57.2	0	0	0	0	112.2	D315 F316 T323	D315-S319 PolarHBondContact O-N 3.48Å; D315-S319 PolarHBondContact O-OG 2.89Å; F316-S319 CarbonylContact O-C 3.58Å; F316-S319 WeakPolarHBondContact O-CB 3.48Å; F316-S319 PolarHBondContact O-N 3.41Å; S319-T323 WeakPolarHBondContact O-CB 3.32Å; S319-T323 PolarHBondContact O-N 2.75Å; S319-T323 PolarHBondContact O-OG1 2.84Å
320	C	96.6	Very high	95.8	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.02	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-49.8	175.3	-178	0	0	0	0	111.4	F316 Y317 D318 D322 T323 M324 L473	F316-C320 PolarHBondContact O-N 3.18Å; Y317-C320 HydrophobicContact CD1-CB 4.48Å; Y317-C320 WeakPolarHBondContact O-CB 3.3Å; Y317-C320 PolarHBondContact O-N 2.98Å; D318-C320 VanDerWaalsContact C-N 3.26Å; D318-C320 PolarHBondContact O-N 3.27Å; C320-D322 VanDerWaalsContact C-N 3.32Å; C320-D322 PolarHBondContact O-N 2.74Å; C320-T323 PolarHBondContact O-N 3.19Å; C320-M324 WeakPolarHBondContact O-CB 3.44Å; C320-M324 VanDerWaalsContact O-CG 3.23Å; C320-M324 WeakPolarHBondContact O-CG 3.47Å; C320-M324 PolarHBondContact O-N 3.31Å; C320-L473 HydrophobicContact CB-CD1 4.03Å; C320-L473 HydrophobicContact CB-CD2 3.98Å
321	V	95.8	Very high	95.5	Very high	40 Å²	40	56.7 Å²	56.7	24%	0.242	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-41.1	179.4	171.1	0	0	0	0	111.6	A280 Y317 D318 M324 K325	A280-V321 HydrophobicContact CB-CG2 3.82Å; Y317-V321 WeakPolarHBondContact O-CG2 3.49Å; Y317-V321 PolarHBondContact O-N 2.89Å; D318-V321 PolarHBondContact O-N 2.95Å; V321-M324 PolarHBondContact O-N 3.28Å; V321-K325 WeakPolarHBondContact O-CB 3.13Å; V321-K325 PolarHBondContact O-N 2.75Å
322	D	95.8	Very high	95.5	Very high	104 Å²	104	50.5 Å²	50.5	56%	0.556	25%	0.245	S	C	*	.	H	α-helix	trans	-69.3	-39.7	175.6	-93	-19.8	0	0	0	112.8	D318 C320 K325 H326	D318-D322 PolarHBondContact O-N 3.09Å; C320-D322 VanDerWaalsContact C-N 3.32Å; C320-D322 PolarHBondContact O-N 2.74Å; D322-K325 PolarHBondContact O-N 3.17Å; D322-H326 WeakPolarHBondContact O-CB 3.38Å; D322-H326 PolarHBondContact O-N 2.92Å
323	T	96.2	Very high	95.6	Very high	25 Å²	25	49.4 Å²	49.4	15%	0.153	24%	0.239	C	C	.	.	H	α-helix	trans	-60.4	-46.6	171.5	-72.6	0	0	0	0	111.4	S319 C320 K325 H326 L327 E469 L473	S319-T323 WeakPolarHBondContact O-CB 3.32Å; S319-T323 PolarHBondContact O-N 2.75Å; S319-T323 PolarHBondContact O-OG1 2.84Å; C320-T323 PolarHBondContact O-N 3.19Å; T323-K325 VanDerWaalsContact C-N 3.32Å; T323-K325 PolarHBondContact O-N 2.85Å; T323-H326 PolarHBondContact O-N 3.44Å; T323-H326 VanDerWaalsContact O-N 3.11Å; T323-L327 HydrophobicContact CG2-CD1 4.01Å; T323-L327 HydrophobicContact CG2-CG 4.34Å; T323-L327 WeakPolarHBondContact O-CB 3.46Å; T323-L327 VanDerWaalsContact O-CG 3.3Å; T323-L327 WeakPolarHBondContact O-CG 3.3Å; T323-L327 PolarHBondContact O-N 3.08Å; T323-E469 HydrophobicContact CG2-CB 4.02Å; T323-L473 HydrophobicContact CG2-CD2 4.28Å
324	M	96.8	Very high	95.6	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-41.2	178.3	-70.6	-56.6	148	0	0	112	I273 E276 C320 V321 L327 Y328 M470 L473	I273-M324 HydrophobicContact CB-SD 4.42Å; I273-M324 HydrophobicContact CG1-SD 3.99Å; I273-M324 HydrophobicContact CG2-CB 4.24Å; E276-M324 HydrophobicContact CB-CE 3.65Å; E276-M324 HydrophobicContact CB-CG 4Å; E276-M324 HydrophobicContact CB-SD 3.7Å; E276-M324 HydrophobicContact CG-CE 3.72Å; E276-M324 HydrophobicContact CG-SD 3.97Å; C320-M324 WeakPolarHBondContact O-CB 3.44Å; C320-M324 VanDerWaalsContact O-CG 3.23Å; C320-M324 WeakPolarHBondContact O-CG 3.47Å; C320-M324 PolarHBondContact O-N 3.31Å; V321-M324 PolarHBondContact O-N 3.28Å; M324-L327 HydrophobicContact SD-CD1 4.22Å; M324-Y328 PolarHBondContact O-N 3.02Å; M324-Y328 VanDerWaalsContact O-N 3.11Å; M324-M470 HydrophobicContact CE-CE 3.96Å; M324-M470 HydrophobicContact CE-SD 3.61Å; M324-L473 HydrophobicContact CE-CD2 4.3Å
325	K	95.4	Very high	95.5	Very high	120 Å²	120	52.7 Å²	52.7	52%	0.522	26%	0.255	S	S	.	.	H	α-helix	trans	-64.3	-42.7	172.3	-177.6	-177.4	175.2	-170.8	0	112.2	V321 D322 T323 L327 Y328 D329	V321-K325 WeakPolarHBondContact O-CB 3.13Å; V321-K325 PolarHBondContact O-N 2.75Å; D322-K325 PolarHBondContact O-N 3.17Å; T323-K325 VanDerWaalsContact C-N 3.32Å; T323-K325 PolarHBondContact O-N 2.85Å; K325-L327 PolarHBondContact O-N 3Å; K325-Y328 PolarHBondContact O-N 3.2Å; K325-D329 WeakPolarHBondContact O-CB 3.45Å; K325-D329 PolarHBondContact O-N 3.46Å
326	H	94.1	Very high	95.5	Very high	73 Å²	73	49.3 Å²	49.3	34%	0.338	24%	0.237	S	C	.	.	H	α-helix	trans	-67.2	-36	179.4	-161.4	68.9	0	0	0	112.7	D322 T323 Y330 K331	D322-H326 WeakPolarHBondContact O-CB 3.38Å; D322-H326 PolarHBondContact O-N 2.92Å; T323-H326 PolarHBondContact O-N 3.44Å; T323-H326 VanDerWaalsContact O-N 3.11Å; H326-Y330 AromaticContact CE1-CD2 3.88Å; H326-Y330 AromaticContact ND1-CD2 3.43Å; H326-Y330 WeakPolarHBondContact ND1-CD2 3.5Å; H326-Y330 PolarHBondContact O-N 3.28Å; H326-K331 WeakPolarHBondContact NE2-CE 3.27Å; H326-K331 PolarHBondContact NE2-NZ 3.15Å; H326-K331 PolarHBondContact O-N 2.84Å; H326-K331 VanDerWaalsContact O-N 3.08Å
327	L	95.6	Very high	95.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.252	C	S	.	.	I	π-helix	trans	-61.9	-42.2	170.8	-71.9	172.8	0	0	0	112.2	I273 T323 M324 K325 K331 F332 I333 Y466 E469 M470	I273-L327 HydrophobicContact CD1-CB 3.87Å; I273-L327 HydrophobicContact CG1-CB 4.49Å; T323-L327 HydrophobicContact CG2-CD1 4.01Å; T323-L327 HydrophobicContact CG2-CG 4.34Å; T323-L327 WeakPolarHBondContact O-CB 3.46Å; T323-L327 VanDerWaalsContact O-CG 3.3Å; T323-L327 WeakPolarHBondContact O-CG 3.3Å; T323-L327 PolarHBondContact O-N 3.08Å; M324-L327 HydrophobicContact SD-CD1 4.22Å; K325-L327 PolarHBondContact O-N 3Å; L327-K331 HydrophobicContact CD2-CB 4.21Å; L327-F332 PolarHBondContact O-N 3.32Å; L327-I333 PolarHBondContact O-N 3.18Å; L327-Y466 HydrophobicContact CD1-CD2 3.93Å; L327-Y466 HydrophobicContact CD1-CE2 4.3Å; L327-Y466 HydrophobicContact CD2-CD2 3.98Å; L327-E469 HydrophobicContact CD2-CB 3.99Å; L327-E469 HydrophobicContact CD2-CG 3.99Å; L327-E469 HydrophobicContact CG-CB 4.47Å; L327-M470 HydrophobicContact CD1-SD 4.07Å
328	Y	96.7	Very high	95.4	Very high	90 Å²	90	54.1 Å²	54.1	35%	0.353	27%	0.271	S	S	.	.	I	π-helix	trans	-67.5	-54.5	176.4	-163.7	-82.9	0	0	0	112.1	Q270 I273 M324 K325 I333 K334	Q270-Y328 HydrophobicContact CG-CE2 4.28Å; I273-Y328 HydrophobicContact CG2-CD2 4.26Å; M324-Y328 PolarHBondContact O-N 3.02Å; M324-Y328 VanDerWaalsContact O-N 3.11Å; K325-Y328 PolarHBondContact O-N 3.2Å; Y328-I333 HydrophobicContact CD2-CB 4.23Å; Y328-I333 HydrophobicContact CD2-CG1 3.88Å; Y328-I333 HydrophobicContact CD2-CG2 4.25Å; Y328-I333 HydrophobicContact CE2-CG1 4.4Å; Y328-I333 HydrophobicContact CE2-CG2 4.06Å; Y328-I333 HydrophobicContact CG-CB 4.35Å; Y328-I333 HydrophobicContact CG-CG1 4.29Å; Y328-I333 WeakPolarHBondContact O-CB 3.47Å; Y328-K334 PolarHBondContact O-N 3.48Å
329	D	93.4	Very high	95.4	Very high	37 Å²	37	52.2 Å²	52.2	20%	0.198	26%	0.257	C	S	.	.	I	π-helix	trans	-78.4	-33.5	-169	-78.1	-32.3	0	0	0	114.1	K325 K334	K325-D329 WeakPolarHBondContact O-CB 3.45Å; K325-D329 PolarHBondContact O-N 3.46Å; D329-K334 WeakPolarHBondContact OD1-CE 3.38Å; D329-K334 IonicContact OD1-NZ 2.86Å; D329-K334 PolarHBondContact OD1-NZ 2.69Å
330	Y	92.5	Very high	95.5	Very high	155 Å²	155	51.9 Å²	51.9	61%	0.608	25%	0.25	S	C	*	.	I	π-helix	trans	-135	-26.6	-163.3	-55.3	-73	0	0	0	116.3	H326 P335	H326-Y330 AromaticContact CE1-CD2 3.88Å; H326-Y330 AromaticContact ND1-CD2 3.43Å; H326-Y330 WeakPolarHBondContact ND1-CD2 3.5Å; H326-Y330 PolarHBondContact O-N 3.28Å; Y330-P335 WeakPolarHBondContact O-CG 3.08Å
331	K	90.7	Very high	95.5	Very high	68 Å²	68	54.9 Å²	54.9	30%	0.296	28%	0.275	S	S	.	.	I	π-helix	trans	-108.4	-27.3	-171.3	-62.7	-64.3	178	75.1	0	116.1	H326 L327 A465 E469	H326-K331 WeakPolarHBondContact NE2-CE 3.27Å; H326-K331 PolarHBondContact NE2-NZ 3.15Å; H326-K331 PolarHBondContact O-N 2.84Å; H326-K331 VanDerWaalsContact O-N 3.08Å; L327-K331 HydrophobicContact CD2-CB 4.21Å; K331-A465 HydrophobicContact CB-CB 4.15Å; K331-A465 HydrophobicContact CD-CB 4.26Å; K331-E469 HydrophobicContact CG-CG 4.5Å; K331-E469 IonicContact NZ-OE1 2.66Å; K331-E469 PolarHBondContact NZ-OE1 3.44Å
332	F	96.2	Very high	95.5	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.009	28%	0.279	C	S	.	.	S	Bend	trans	-136	-64.8	-178.2	-161.1	-71.8	0	0	0	114	L265 I269 L327 L336 C462 Y466	L265-F332 HydrophobicContact CD1-CZ 4.07Å; L265-F332 HydrophobicContact CD2-CZ 4.02Å; L265-F332 HydrophobicContact CG-CE1 4.22Å; L265-F332 HydrophobicContact CG-CZ 3.83Å; I269-F332 HydrophobicContact CB-CD1 4.27Å; I269-F332 HydrophobicContact CB-CE1 4.06Å; I269-F332 HydrophobicContact CG1-CD1 4.38Å; I269-F332 HydrophobicContact CG1-CE1 3.8Å; I269-F332 HydrophobicContact CG1-CE2 4.36Å; I269-F332 HydrophobicContact CG1-CZ 3.79Å; I269-F332 HydrophobicContact CG2-CD1 4.02Å; I269-F332 HydrophobicContact CG2-CE1 4.28Å; I269-F332 HydrophobicContact CG2-CG 4.25Å; L327-F332 PolarHBondContact O-N 3.32Å; F332-L336 HydrophobicContact CD1-CD2 4.3Å; F332-L336 HydrophobicContact CE1-CD2 3.61Å; F332-L336 HydrophobicContact CZ-CD2 4.05Å; F332-L336 VanDerWaalsContact O-CB 3.26Å; F332-L336 WeakPolarHBondContact O-CB 3.46Å; F332-L336 PolarHBondContact O-N 3.1Å; F332-C462 HydrophobicContact CD2-CB 3.71Å; F332-C462 WeakPolarHBondContact CD2-O 3.38Å; F332-C462 HydrophobicContact CE2-CB 4.02Å; F332-C462 HydrophobicContact CG-CB 4.08Å; F332-Y466 HydrophobicContact CD2-CG 4.27Å
333	I	97.4	Very high	95.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-66.8	-164.8	-57	-56	0	0	0	111.5	L266 I269 Q270 I273 L327 Y328 L336 E337	L266-I333 HydrophobicContact CD2-CD1 4.11Å; L266-I333 HydrophobicContact CD2-CG2 4.24Å; I269-I333 HydrophobicContact CB-CD1 3.92Å; I269-I333 HydrophobicContact CG2-CD1 3.67Å; Q270-I333 HydrophobicContact CB-CD1 4.49Å; Q270-I333 HydrophobicContact CG-CD1 3.59Å; Q270-I333 HydrophobicContact CG-CG1 4.05Å; Q270-I333 HydrophobicContact CG-CG2 3.89Å; Q270-I333 VanDerWaalsContact NE2-CG2 3.26Å; I273-I333 HydrophobicContact CD1-CD1 4.2Å; I273-I333 HydrophobicContact CD1-CG1 3.84Å; L327-I333 PolarHBondContact O-N 3.18Å; Y328-I333 HydrophobicContact CD2-CB 4.23Å; Y328-I333 HydrophobicContact CD2-CG1 3.88Å; Y328-I333 HydrophobicContact CD2-CG2 4.25Å; Y328-I333 HydrophobicContact CE2-CG1 4.4Å; Y328-I333 HydrophobicContact CE2-CG2 4.06Å; Y328-I333 HydrophobicContact CG-CB 4.35Å; Y328-I333 HydrophobicContact CG-CG1 4.29Å; Y328-I333 WeakPolarHBondContact O-CB 3.47Å; I333-L336 PolarHBondContact O-N 3.27Å; I333-E337 HydrophobicContact CG2-CG 4.33Å; I333-E337 WeakPolarHBondContact O-CB 3.43Å; I333-E337 WeakPolarHBondContact O-CG 3.44Å; I333-E337 PolarHBondContact O-N 3.41Å
334	K	95.1	Very high	95.5	Very high	100 Å²	100	51.6 Å²	51.6	44%	0.435	25%	0.253	S	S	.	.	H	α-helix	trans	-58.3	-41.8	-178.9	-70.2	-179	-177.2	164.2	0	114	Y328 D329 A338	Y328-K334 PolarHBondContact O-N 3.48Å; D329-K334 WeakPolarHBondContact OD1-CE 3.38Å; D329-K334 IonicContact OD1-NZ 2.86Å; D329-K334 PolarHBondContact OD1-NZ 2.69Å; K334-A338 WeakPolarHBondContact O-CB 3.41Å; K334-A338 PolarHBondContact O-N 3.38Å
335	P	94.1	Very high	95.6	Very high	44 Å²	44	52.9 Å²	52.9	29%	0.286	27%	0.267	S	S	.	.	H	α-helix	trans	-59.4	-43.8	174.9	-26.8	34.9	0	0	0	114.3	Y330 R339	Y330-P335 WeakPolarHBondContact O-CG 3.08Å; P335-R339 PolarHBondContact O-N 3.37Å; P335-R339 VanDerWaalsContact O-N 3.16Å
336	L	96.2	Very high	95.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-76.5	-35	-178.7	-173.6	63.1	0	0	0	111.9	W258 L265 L266 F332 I333 K340 T458	W258-L336 HydrophobicContact CZ2-CD1 4.33Å; L265-L336 HydrophobicContact CD2-CD2 4.08Å; L265-L336 HydrophobicContact CG-CD2 4.43Å; L266-L336 HydrophobicContact CD2-CB 4.09Å; L266-L336 HydrophobicContact CD2-CD2 4.13Å; L266-L336 HydrophobicContact CD2-CG 4.29Å; L266-L336 HydrophobicContact CG-CD2 4.09Å; L266-L336 HydrophobicContact CG-CG 4.33Å; F332-L336 HydrophobicContact CD1-CD2 4.3Å; F332-L336 HydrophobicContact CE1-CD2 3.61Å; F332-L336 HydrophobicContact CZ-CD2 4.05Å; F332-L336 VanDerWaalsContact O-CB 3.26Å; F332-L336 WeakPolarHBondContact O-CB 3.46Å; F332-L336 PolarHBondContact O-N 3.1Å; I333-L336 PolarHBondContact O-N 3.27Å; L336-K340 VanDerWaalsContact O-CB 3.26Å; L336-K340 WeakPolarHBondContact O-CB 3.35Å; L336-K340 PolarHBondContact O-N 2.89Å; L336-T458 HydrophobicContact CD1-CG2 4.42Å
337	E	97.7	Very high	95.8	Very high	73 Å²	73	48.7 Å²	48.7	34%	0.341	25%	0.247	S	C	.	.	H	α-helix	trans	-57.8	-45.7	169.2	-76.5	177.8	149.9	0	0	111.8	L266 Q270 I333 K340 A341	L266-E337 HydrophobicContact CD1-CG 3.64Å; L266-E337 HydrophobicContact CD2-CG 3.84Å; L266-E337 HydrophobicContact CG-CG 4.38Å; Q270-E337 PolarHBondContact NE2-OE1 3Å; I333-E337 HydrophobicContact CG2-CG 4.33Å; I333-E337 WeakPolarHBondContact O-CB 3.43Å; I333-E337 WeakPolarHBondContact O-CG 3.44Å; I333-E337 PolarHBondContact O-N 3.41Å; E337-K340 PolarHBondContact O-N 3.29Å; E337-A341 PolarHBondContact O-N 2.86Å
338	A	95.2	Very high	95.9	Very high	62 Å²	62	55.3 Å²	55.3	51%	0.512	28%	0.276	S	S	.	.	H	α-helix	trans	-62.7	-49	178.9	0	0	0	0	0	112.2	K334 K340 A341 E342	K334-A338 WeakPolarHBondContact O-CB 3.41Å; K334-A338 PolarHBondContact O-N 3.38Å; A338-K340 VanDerWaalsContact C-N 3.3Å; A338-K340 PolarHBondContact O-N 3.08Å; A338-A341 PolarHBondContact O-N 2.93Å; A338-E342 WeakPolarHBondContact O-CB 3.39Å; A338-E342 PolarHBondContact O-N 3.43Å
339	R	96.3	Very high	96	Very high	50 Å²	50	56.4 Å²	56.4	19%	0.189	29%	0.288	C	S	.	.	H	α-helix	trans	-63.6	-35.1	175.8	176.5	52.3	41.9	100.1	-18.4	112	W258 P335 E342 A343 Q454 T458	W258-R339 HydrophobicContact CH2-CG 4.16Å; P335-R339 PolarHBondContact O-N 3.37Å; P335-R339 VanDerWaalsContact O-N 3.16Å; R339-E342 IonicContact CZ-OE2 2.68Å; R339-E342 IonicContact NE-OE2 3.12Å; R339-E342 PolarHBondContact NE-OE2 2.99Å; R339-E342 IonicContact NH2-OE1 2.64Å; R339-E342 IonicContact NH2-OE2 2.78Å; R339-E342 PolarHBondContact NH2-OE2 2.97Å; R339-E342 PolarHBondContact O-N 3.42Å; R339-A343 WeakPolarHBondContact O-CB 3.35Å; R339-A343 PolarHBondContact O-N 2.79Å; R339-Q454 PolarHBondContact NH1-O 3.35Å; R339-T458 HydrophobicContact CB-CG2 3.83Å; R339-T458 HydrophobicContact CG-CG2 4.01Å; R339-T458 PolarHBondContact NH1-OG1 2.96Å
340	K	97.6	Very high	96.2	Very high	41 Å²	41	55.2 Å²	55.2	18%	0.178	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-45.5	173.7	-173.3	-169.7	176.7	-63.4	0	112.1	W258 S259 C262 L266 L336 E337 A338 A343 D344	W258-K340 HydrophobicContact CH2-CB 4.38Å; W258-K340 HydrophobicContact CZ3-CB 4.32Å; W258-K340 HydrophobicContact CZ3-CG 4.36Å; S259-K340 WeakPolarHBondContact O-CE 3.43Å; S259-K340 WeakPolarHBondContact OG-CE 3.34Å; S259-K340 PolarHBondContact OG-NZ 2.71Å; S259-K340 VanDerWaalsContact OG-NZ 3.07Å; C262-K340 HydrophobicContact CB-CD 4.49Å; L266-K340 HydrophobicContact CD1-CD 4.23Å; L336-K340 VanDerWaalsContact O-CB 3.26Å; L336-K340 WeakPolarHBondContact O-CB 3.35Å; L336-K340 PolarHBondContact O-N 2.89Å; E337-K340 PolarHBondContact O-N 3.29Å; A338-K340 VanDerWaalsContact C-N 3.3Å; A338-K340 PolarHBondContact O-N 3.08Å; K340-A343 PolarHBondContact O-N 3.45Å; K340-D344 IonicContact NZ-OD2 2.78Å; K340-D344 PolarHBondContact NZ-OD2 3.15Å; K340-D344 WeakPolarHBondContact O-CB 3.38Å; K340-D344 PolarHBondContact O-N 2.97Å
341	A	97.1	Very high	96.4	Very high	66 Å²	66	52.4 Å²	52.4	55%	0.545	27%	0.272	S	S	.	.	H	α-helix	trans	-63	-42.7	176.9	0	0	0	0	0	111.8	E337 A338 A343 D344 G345	E337-A341 PolarHBondContact O-N 2.86Å; A338-A341 PolarHBondContact O-N 2.93Å; A341-A343 PolarHBondContact O-N 3.15Å; A341-D344 PolarHBondContact O-N 2.84Å; A341-G345 PolarHBondContact O-N 3.47Å
342	E	95	Very high	96.7	Very high	69 Å²	69	54.8 Å²	54.8	32%	0.322	28%	0.284	S	S	.	.	H	α-helix	trans	-56.6	-47.4	173.8	-169.1	-165.9	154.8	0	0	111.6	A338 R339 G345 K346	A338-E342 WeakPolarHBondContact O-CB 3.39Å; A338-E342 PolarHBondContact O-N 3.43Å; R339-E342 IonicContact CZ-OE2 2.68Å; R339-E342 IonicContact NE-OE2 3.12Å; R339-E342 PolarHBondContact NE-OE2 2.99Å; R339-E342 IonicContact NH2-OE1 2.64Å; R339-E342 IonicContact NH2-OE2 2.78Å; R339-E342 PolarHBondContact NH2-OE2 2.97Å; R339-E342 PolarHBondContact O-N 3.42Å; E342-G345 PolarHBondContact O-N 3.46Å; E342-K346 HydrophobicContact CG-CD 4.32Å; E342-K346 PolarHBondContact O-N 2.63Å; E342-K346 WeakPolarHBondContact OE1-CE 3.28Å; E342-K346 IonicContact OE1-NZ 3.98Å; E342-K346 PolarHBondContact OE1-NZ 3.38Å
343	A	95.8	Very high	96.8	Very high	3 Å²	3	58 Å²	58	3%	0.025	30%	0.304	C	S	.	.	H	α-helix	trans	-70.7	-40.3	-179.3	0	0	0	0	0	113.6	W258 R339 K340 A341 G345 R347 L451 C455	W258-A343 HydrophobicContact CE3-CB 4.39Å; W258-A343 HydrophobicContact CZ3-CB 3.88Å; R339-A343 WeakPolarHBondContact O-CB 3.35Å; R339-A343 PolarHBondContact O-N 2.79Å; K340-A343 PolarHBondContact O-N 3.45Å; A341-A343 PolarHBondContact O-N 3.15Å; A343-G345 PolarHBondContact O-N 2.91Å; A343-R347 WeakPolarHBondContact O-CB 3.12Å; A343-R347 PolarHBondContact O-N 3.49Å; A343-L451 HydrophobicContact CB-CD1 3.97Å; A343-L451 HydrophobicContact CB-CD2 4.36Å; A343-L451 HydrophobicContact CB-CG 4.36Å; A343-C455 VanDerWaalsContact CB-SG 3.56Å
344	D	97.7	Very high	96.8	Very high	28 Å²	28	58.5 Å²	58.5	15%	0.15	31%	0.306	C	S	.	.	H	α-helix	trans	-62.2	-33.5	172.2	-83.8	-37.6	0	0	0	111.9	S259 K340 A341 R347 K348	S259-D344 WeakPolarHBondContact CB-OD1 3.49Å; S259-D344 PolarHBondContact OG-OD1 3.45Å; S259-D344 PolarHBondContact OG-OD2 2.99Å; K340-D344 IonicContact NZ-OD2 2.78Å; K340-D344 PolarHBondContact NZ-OD2 3.15Å; K340-D344 WeakPolarHBondContact O-CB 3.38Å; K340-D344 PolarHBondContact O-N 2.97Å; A341-D344 PolarHBondContact O-N 2.84Å; D344-R347 IonicContact OD1-CZ 2.69Å; D344-R347 IonicContact OD1-NH1 3.2Å; D344-R347 PolarHBondContact OD1-NH1 3.27Å; D344-R347 IonicContact OD1-NH2 2.74Å; D344-R347 PolarHBondContact OD1-NH2 3.21Å; D344-K348 WeakPolarHBondContact O-CD 3.39Å; D344-K348 WeakPolarHBondContact O-CG 3.49Å; D344-K348 PolarHBondContact O-N 2.93Å
345	G	97.6	Very high	96.8	Very high	29 Å²	29	57 Å²	57	30%	0.299	30%	0.3	S	S	.	.	H	α-helix	trans	-68.2	-60	172.9	0	0	0	0	0	112.4	A341 E342 A343 R347 K348 N349	A341-G345 PolarHBondContact O-N 3.47Å; E342-G345 PolarHBondContact O-N 3.46Å; A343-G345 PolarHBondContact O-N 2.91Å; G345-R347 VanDerWaalsContact C-N 3.32Å; G345-R347 PolarHBondContact O-N 3.06Å; G345-K348 WeakPolarHBondContact O-CB 3.46Å; G345-K348 PolarHBondContact O-N 3.37Å; G345-K348 VanDerWaalsContact O-N 3.08Å; G345-N349 PolarHBondContact O-N 2.71Å; G345-N349 VanDerWaalsContact O-N 3.12Å
346	K	96.7	Very high	97	Very high	75 Å²	75	60.3 Å²	60.3	33%	0.326	31%	0.31	S	S	.	.	H	α-helix	trans	-52.9	-46.9	178.9	-76.3	173.9	168.1	171.6	0	111.8	E342 K348 N349 L350 L451 Q454	E342-K346 HydrophobicContact CG-CD 4.32Å; E342-K346 PolarHBondContact O-N 2.63Å; E342-K346 WeakPolarHBondContact OE1-CE 3.28Å; E342-K346 IonicContact OE1-NZ 3.98Å; E342-K346 PolarHBondContact OE1-NZ 3.38Å; K346-K348 PolarHBondContact O-N 3.03Å; K346-N349 PolarHBondContact O-N 3.21Å; K346-L350 WeakPolarHBondContact O-CG 3.13Å; K346-L350 PolarHBondContact O-N 2.86Å; K346-L451 HydrophobicContact CB-CD1 4.41Å; K346-L451 HydrophobicContact CB-CD2 3.69Å; K346-L451 HydrophobicContact CD-CD1 3.6Å; K346-L451 HydrophobicContact CD-CD2 4.36Å; K346-Q454 VanDerWaalsContact NZ-OE1 3.07Å
347	R	98	Very high	96.9	Very high	31 Å²	31	60.7 Å²	60.7	12%	0.117	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-37.8	178	-170.8	-167.7	67.1	-117.5	-12.1	113.3	L252 A255 A343 D344 G345 K351	L252-R347 HydrophobicContact CD2-CG 3.78Å; L252-R347 WeakPolarHBondContact O-CD 3.24Å; A255-R347 HydrophobicContact CB-CG 3.95Å; A255-R347 PolarHBondContact O-NH1 3.48Å; A343-R347 WeakPolarHBondContact O-CB 3.12Å; A343-R347 PolarHBondContact O-N 3.49Å; D344-R347 IonicContact OD1-CZ 2.69Å; D344-R347 IonicContact OD1-NH1 3.2Å; D344-R347 PolarHBondContact OD1-NH1 3.27Å; D344-R347 IonicContact OD1-NH2 2.74Å; D344-R347 PolarHBondContact OD1-NH2 3.21Å; G345-R347 VanDerWaalsContact C-N 3.32Å; G345-R347 PolarHBondContact O-N 3.06Å; R347-K351 WeakPolarHBondContact O-CB 3.46Å; R347-K351 PolarHBondContact O-N 3.13Å
348	K	97.6	Very high	96.8	Very high	139 Å²	139	59.1 Å²	59.1	60%	0.604	31%	0.308	S	S	*	.	H	α-helix	trans	-64.9	-43.3	175.7	-77.4	168.1	-175.1	177.1	0	111.2	D344 G345 K346 K351 H352	D344-K348 WeakPolarHBondContact O-CD 3.39Å; D344-K348 WeakPolarHBondContact O-CG 3.49Å; D344-K348 PolarHBondContact O-N 2.93Å; G345-K348 WeakPolarHBondContact O-CB 3.46Å; G345-K348 PolarHBondContact O-N 3.37Å; G345-K348 VanDerWaalsContact O-N 3.08Å; K346-K348 PolarHBondContact O-N 3.03Å; K348-K351 PolarHBondContact O-N 3.06Å; K348-H352 PolarHBondContact O-N 3.4Å
349	N	97.8	Very high	96.8	Very high	113 Å²	113	61.4 Å²	61.4	60%	0.604	31%	0.306	S	S	*	.	H	α-helix	trans	-64.5	-48.4	179.1	-64.6	-3	0	0	0	110.9	G345 K346 K351 H352 T353	G345-N349 PolarHBondContact O-N 2.71Å; G345-N349 VanDerWaalsContact O-N 3.12Å; K346-N349 PolarHBondContact O-N 3.21Å; N349-K351 PolarHBondContact O-N 2.84Å; N349-H352 WeakPolarHBondContact O-CB 3.4Å; N349-H352 PolarHBondContact O-N 3.14Å; N349-H352 VanDerWaalsContact O-N 3.09Å; N349-T353 PolarHBondContact O-N 2.99Å; N349-T353 PolarHBondContact O-OG1 2.92Å
350	L	97.6	Very high	96.8	Very high	11 Å²	11	61.5 Å²	61.5	6%	0.058	31%	0.309	C	S	.	.	H	α-helix	trans	-58.4	-44.1	175.8	-70.4	166.2	0	0	0	112.1	L252 K346 H352 T353 W354 I444 E447 V448	L252-L350 HydrophobicContact CD2-CB 4.02Å; K346-L350 WeakPolarHBondContact O-CG 3.13Å; K346-L350 PolarHBondContact O-N 2.86Å; L350-H352 VanDerWaalsContact C-N 3.34Å; L350-H352 PolarHBondContact O-N 3.08Å; L350-T353 PolarHBondContact O-N 3.26Å; L350-W354 PolarHBondContact O-N 2.87Å; L350-W354 VanDerWaalsContact O-N 3.07Å; L350-I444 HydrophobicContact CB-CG2 4.37Å; L350-I444 HydrophobicContact CD2-CB 4.48Å; L350-I444 HydrophobicContact CD2-CG1 4.04Å; L350-I444 HydrophobicContact CD2-CG2 4.34Å; L350-E447 HydrophobicContact CD1-CB 4.11Å; L350-E447 HydrophobicContact CD2-CB 3.84Å; L350-E447 HydrophobicContact CD2-CG 4.49Å; L350-V448 HydrophobicContact CD1-CG2 3.85Å
351	K	97.5	Very high	96.7	Very high	96 Å²	96	60 Å²	60	42%	0.417	30%	0.303	S	S	.	.	H	α-helix	trans	-58.6	-44.8	173.4	-171.6	-171.9	179.1	-135.7	0	111.7	L252 R347 K348 N349 W354 E355	L252-K351 HydrophobicContact CD1-CB 4.01Å; L252-K351 HydrophobicContact CD1-CG 4.25Å; R347-K351 WeakPolarHBondContact O-CB 3.46Å; R347-K351 PolarHBondContact O-N 3.13Å; K348-K351 PolarHBondContact O-N 3.06Å; N349-K351 PolarHBondContact O-N 2.84Å; K351-W354 PolarHBondContact O-N 2.76Å; K351-E355 WeakPolarHBondContact CE-OE1 3.47Å; K351-E355 HydrophobicContact CG-CG 4.34Å; K351-E355 IonicContact NZ-OE1 3.91Å; K351-E355 PolarHBondContact NZ-OE1 3.3Å; K351-E355 IonicContact NZ-OE2 3.5Å; K351-E355 WeakPolarHBondContact O-CB 3.29Å; K351-E355 WeakPolarHBondContact O-CG 3.35Å; K351-E355 PolarHBondContact O-N 2.95Å
352	H	97.6	Very high	96.6	Very high	119 Å²	119	61.6 Å²	61.6	55%	0.551	30%	0.299	S	S	*	.	H	α-helix	trans	-64.3	-41.1	-179.7	-178	62.8	0	0	0	112.3	K348 N349 L350 W354 E355 K356	K348-H352 PolarHBondContact O-N 3.4Å; N349-H352 WeakPolarHBondContact O-CB 3.4Å; N349-H352 PolarHBondContact O-N 3.14Å; N349-H352 VanDerWaalsContact O-N 3.09Å; L350-H352 VanDerWaalsContact C-N 3.34Å; L350-H352 PolarHBondContact O-N 3.08Å; H352-W354 PolarHBondContact O-N 3Å; H352-E355 PolarHBondContact O-N 3.41Å; H352-K356 WeakPolarHBondContact O-CB 3.36Å; H352-K356 PolarHBondContact O-N 2.85Å
353	T	97.3	Very high	96.7	Very high	68 Å²	68	61.3 Å²	61.3	42%	0.417	30%	0.302	S	S	.	.	H	α-helix	trans	-59.1	-45.4	174.2	-56.3	0	0	0	0	111.6	N349 L350 K356 C357 T440 I444	N349-T353 PolarHBondContact O-N 2.99Å; N349-T353 PolarHBondContact O-OG1 2.92Å; L350-T353 PolarHBondContact O-N 3.26Å; T353-K356 PolarHBondContact O-N 3.48Å; T353-C357 PolarHBondContact O-N 3.45Å; T353-T440 HydrophobicContact CG2-CG2 4.12Å; T353-I444 HydrophobicContact CG2-CD1 4.18Å
354	W	97.3	Very high	96.6	Very high	12 Å²	12	61.3 Å²	61.3	5%	0.045	30%	0.302	C	S	.	.	H	α-helix	trans	-62.8	-51.4	175.9	-172.9	-121.3	0	0	0	112.1	V248 E249 L350 K351 H352 K356 C357 V358 M437 T440 K441 I444	V248-W354 HydrophobicContact CB-CD2 4.12Å; V248-W354 HydrophobicContact CB-CG 4.42Å; V248-W354 HydrophobicContact CB-CZ2 4.09Å; V248-W354 HydrophobicContact CG1-CB 4.17Å; V248-W354 HydrophobicContact CG1-CD2 3.74Å; V248-W354 HydrophobicContact CG1-CE3 4.43Å; V248-W354 HydrophobicContact CG1-CG 3.61Å; V248-W354 HydrophobicContact CG2-CD2 4.27Å; V248-W354 HydrophobicContact CG2-CE3 4.33Å; V248-W354 HydrophobicContact CG2-CH2 4.19Å; V248-W354 HydrophobicContact CG2-CZ2 4.11Å; V248-W354 HydrophobicContact CG2-CZ3 4.31Å; E249-W354 PolarHBondContact OE1-NE1 3.41Å; L350-W354 PolarHBondContact O-N 2.87Å; L350-W354 VanDerWaalsContact O-N 3.07Å; K351-W354 PolarHBondContact O-N 2.76Å; H352-W354 PolarHBondContact O-N 3Å; W354-K356 PolarHBondContact O-N 2.68Å; W354-C357 PolarHBondContact O-N 3.18Å; W354-C357 VanDerWaalsContact O-N 3.13Å; W354-V358 HydrophobicContact CD2-CG2 4.15Å; W354-V358 HydrophobicContact CG-CG2 4.46Å; W354-V358 HydrophobicContact CZ2-CG2 4.28Å; W354-V358 WeakPolarHBondContact O-CG2 3.37Å; W354-V358 PolarHBondContact O-N 3.22Å; W354-M437 HydrophobicContact CH2-CE 3.38Å; W354-M437 HydrophobicContact CH2-CG 4.04Å; W354-M437 HydrophobicContact CZ2-CE 3.66Å; W354-M437 HydrophobicContact CZ3-CE 4.1Å; W354-M437 HydrophobicContact CZ3-CG 3.93Å; W354-T440 HydrophobicContact CE3-CG2 4.41Å; W354-K441 HydrophobicContact CH2-CB 3.86Å; W354-K441 HydrophobicContact CH2-CD 4.16Å; W354-K441 HydrophobicContact CH2-CG 3.78Å; W354-K441 HydrophobicContact CZ3-CB 3.69Å; W354-K441 HydrophobicContact CZ3-CG 4.07Å; W354-I444 HydrophobicContact CB-CD1 3.85Å; W354-I444 HydrophobicContact CE3-CD1 4.24Å
355	E	96.2	Very high	96.5	Very high	69 Å²	69	61.6 Å²	61.6	32%	0.322	31%	0.309	S	S	.	.	H	α-helix	trans	-60.4	-28.7	178	-75.7	-174.1	155.1	0	0	113.5	K351 H352 K359	K351-E355 WeakPolarHBondContact CE-OE1 3.47Å; K351-E355 HydrophobicContact CG-CG 4.34Å; K351-E355 IonicContact NZ-OE1 3.91Å; K351-E355 PolarHBondContact NZ-OE1 3.3Å; K351-E355 IonicContact NZ-OE2 3.5Å; K351-E355 WeakPolarHBondContact O-CB 3.29Å; K351-E355 WeakPolarHBondContact O-CG 3.35Å; K351-E355 PolarHBondContact O-N 2.95Å; H352-E355 PolarHBondContact O-N 3.41Å; E355-K359 WeakPolarHBondContact O-CB 3.44Å; E355-K359 WeakPolarHBondContact O-CD 3.39Å; E355-K359 WeakPolarHBondContact O-CE 3.46Å; E355-K359 WeakPolarHBondContact O-CG 3.48Å; E355-K359 PolarHBondContact O-N 3.35Å
356	K	96.8	Very high	96.4	Very high	112 Å²	112	65.4 Å²	65.4	49%	0.487	32%	0.32	S	S	.	.	H	α-helix	trans	-71	-50.7	173	179.9	179.1	-180	-75.8	0	110.8	H352 T353 W354 V358 K359 E360	H352-K356 WeakPolarHBondContact O-CB 3.36Å; H352-K356 PolarHBondContact O-N 2.85Å; T353-K356 PolarHBondContact O-N 3.48Å; W354-K356 PolarHBondContact O-N 2.68Å; K356-V358 PolarHBondContact O-N 3.31Å; K356-K359 PolarHBondContact O-N 3.27Å; K356-E360 WeakPolarHBondContact CE-OE1 3.28Å; K356-E360 WeakPolarHBondContact CG-OE1 3.4Å; K356-E360 IonicContact NZ-OE1 2.62Å; K356-E360 PolarHBondContact NZ-OE1 3.42Å; K356-E360 PolarHBondContact O-N 3.08Å; K356-E360 VanDerWaalsContact O-N 3.11Å
357	C	94.5	Very high	96.4	Very high	9 Å²	9	64.9 Å²	64.9	6%	0.061	32%	0.319	C	S	.	.	H	α-helix	trans	-60.1	-46.8	-178.6	-169	0	0	0	0	111.9	T353 W354 K359 E360 V361 M437 T440	T353-C357 PolarHBondContact O-N 3.45Å; W354-C357 PolarHBondContact O-N 3.18Å; W354-C357 VanDerWaalsContact O-N 3.13Å; C357-K359 VanDerWaalsContact C-N 3.34Å; C357-K359 PolarHBondContact O-N 3.02Å; C357-E360 PolarHBondContact O-N 3.31Å; C357-E360 VanDerWaalsContact O-N 3.14Å; C357-V361 PolarHBondContact O-N 2.96Å; C357-V361 VanDerWaalsContact O-N 3.15Å; C357-M437 VanDerWaalsContact SG-CA 3.51Å; C357-T440 HydrophobicContact CB-CG2 4.31Å
358	V	95.1	Very high	96.2	Very high	39 Å²	39	64.8 Å²	64.8	24%	0.236	32%	0.32	C	S	.	.	H	α-helix	trans	-56.4	-45.6	175.3	173.4	0	0	0	0	111.5	W354 K356 E360 V361 E362 M437	W354-V358 HydrophobicContact CD2-CG2 4.15Å; W354-V358 HydrophobicContact CG-CG2 4.46Å; W354-V358 HydrophobicContact CZ2-CG2 4.28Å; W354-V358 WeakPolarHBondContact O-CG2 3.37Å; W354-V358 PolarHBondContact O-N 3.22Å; K356-V358 PolarHBondContact O-N 3.31Å; V358-E360 VanDerWaalsContact C-N 3.31Å; V358-E360 PolarHBondContact O-N 3.12Å; V358-V361 PolarHBondContact O-N 3.22Å; V358-E362 HydrophobicContact CG1-CG 4.32Å; V358-E362 WeakPolarHBondContact O-CG 3.42Å; V358-E362 PolarHBondContact O-N 3.37Å; V358-M437 HydrophobicContact CG2-CE 3.84Å
359	K	96.2	Very high	96.1	Very high	110 Å²	110	64 Å²	64	48%	0.478	32%	0.317	S	S	.	.	H	α-helix	trans	-65.1	-31.7	179.2	-74.5	167.1	-167	156.1	0	113.3	E355 K356 C357 T363	E355-K359 WeakPolarHBondContact O-CB 3.44Å; E355-K359 WeakPolarHBondContact O-CD 3.39Å; E355-K359 WeakPolarHBondContact O-CE 3.46Å; E355-K359 WeakPolarHBondContact O-CG 3.48Å; E355-K359 PolarHBondContact O-N 3.35Å; K356-K359 PolarHBondContact O-N 3.27Å; C357-K359 VanDerWaalsContact C-N 3.34Å; C357-K359 PolarHBondContact O-N 3.02Å; K359-T363 WeakPolarHBondContact O-CB 3.42Å; K359-T363 PolarHBondContact O-N 3.07Å; K359-T363 PolarHBondContact O-OG1 2.8Å
360	E	95.8	Very high	96	Very high	52 Å²	52	65.3 Å²	65.3	24%	0.243	32%	0.317	C	S	.	.	H	α-helix	trans	-69.4	-42.2	175.7	-71.1	179.3	-147.2	0	0	111.1	K356 C357 V358 T363 V364 K433	K356-E360 WeakPolarHBondContact CE-OE1 3.28Å; K356-E360 WeakPolarHBondContact CG-OE1 3.4Å; K356-E360 IonicContact NZ-OE1 2.62Å; K356-E360 PolarHBondContact NZ-OE1 3.42Å; K356-E360 PolarHBondContact O-N 3.08Å; K356-E360 VanDerWaalsContact O-N 3.11Å; C357-E360 PolarHBondContact O-N 3.31Å; C357-E360 VanDerWaalsContact O-N 3.14Å; V358-E360 VanDerWaalsContact C-N 3.31Å; V358-E360 PolarHBondContact O-N 3.12Å; E360-T363 PolarHBondContact O-N 3.26Å; E360-V364 PolarHBondContact O-N 2.93Å; E360-V364 VanDerWaalsContact O-N 3.1Å; E360-K433 HydrophobicContact CB-CD 4.23Å; E360-K433 IonicContact OE2-NZ 3.18Å; E360-K433 PolarHBondContact OE2-NZ 3.09Å
361	V	94.9	Very high	95.9	Very high	10 Å²	10	64.9 Å²	64.9	6%	0.061	32%	0.316	C	S	.	.	H	α-helix	trans	-61.7	-48.6	171.5	175.8	0	0	0	0	111.3	C357 V358 T363 V364 A365 L430 K433 Y434 M437	C357-V361 PolarHBondContact O-N 2.96Å; C357-V361 VanDerWaalsContact O-N 3.15Å; V358-V361 PolarHBondContact O-N 3.22Å; V361-T363 PolarHBondContact O-N 3.15Å; V361-V364 PolarHBondContact O-N 3.39Å; V361-A365 WeakPolarHBondContact O-CB 3.44Å; V361-A365 PolarHBondContact O-N 2.74Å; V361-L430 HydrophobicContact CG1-CD1 4.18Å; V361-K433 HydrophobicContact CG2-CB 3.99Å; V361-Y434 HydrophobicContact CG1-CD1 4.1Å; V361-Y434 HydrophobicContact CG1-CE1 3.61Å; V361-Y434 HydrophobicContact CG1-CE2 4.34Å; V361-M437 HydrophobicContact CB-SD 4.45Å; V361-M437 HydrophobicContact CG2-CB 4.15Å; V361-M437 HydrophobicContact CG2-SD 3.88Å
362	E	94.8	Very high	95.8	Very high	99 Å²	99	66.6 Å²	66.6	46%	0.463	32%	0.319	S	S	.	.	H	α-helix	trans	-56.3	-39	175.8	-74.1	-177.2	139.5	0	0	112.1	V358 M366	V358-E362 HydrophobicContact CG1-CG 4.32Å; V358-E362 WeakPolarHBondContact O-CG 3.42Å; V358-E362 PolarHBondContact O-N 3.37Å; E362-M366 WeakPolarHBondContact O-CB 3.38Å; E362-M366 WeakPolarHBondContact O-CG 3.29Å; E362-M366 PolarHBondContact O-N 3.39Å
363	T	97	Very high	95.7	Very high	63 Å²	63	66.9 Å²	66.9	39%	0.387	32%	0.321	S	S	.	.	H	α-helix	trans	-66.2	-49.9	179.7	-61.1	0	0	0	0	111.4	K359 E360 V361 A365 M366 E367	K359-T363 WeakPolarHBondContact O-CB 3.42Å; K359-T363 PolarHBondContact O-N 3.07Å; K359-T363 PolarHBondContact O-OG1 2.8Å; E360-T363 PolarHBondContact O-N 3.26Å; V361-T363 PolarHBondContact O-N 3.15Å; T363-A365 VanDerWaalsContact C-N 3.34Å; T363-A365 PolarHBondContact O-N 2.91Å; T363-M366 PolarHBondContact O-N 3.35Å; T363-E367 WeakPolarHBondContact O-CG 3.37Å; T363-E367 PolarHBondContact O-N 2.98Å
364	V	95.5	Very high	95.6	Very high	3 Å²	3	65.4 Å²	65.4	2%	0.018	31%	0.311	C	S	.	.	H	α-helix	trans	-66.8	-35.9	178.7	-177.7	0	0	0	0	111.2	E360 V361 M366 E367 L368 L426 R429 L430 K433	E360-V364 PolarHBondContact O-N 2.93Å; E360-V364 VanDerWaalsContact O-N 3.1Å; V361-V364 PolarHBondContact O-N 3.39Å; V364-M366 VanDerWaalsContact C-N 3.33Å; V364-M366 PolarHBondContact O-N 2.98Å; V364-E367 PolarHBondContact O-N 2.95Å; V364-L368 WeakPolarHBondContact O-CB 3.37Å; V364-L368 PolarHBondContact O-N 2.71Å; V364-L426 HydrophobicContact CG1-CD2 4.35Å; V364-R429 HydrophobicContact CG1-CB 4.32Å; V364-R429 HydrophobicContact CG1-CG 4.2Å; V364-R429 HydrophobicContact CG2-CG 4.41Å; V364-L430 HydrophobicContact CB-CD1 4.22Å; V364-L430 HydrophobicContact CG1-CB 3.91Å; V364-L430 HydrophobicContact CG1-CD1 4.22Å; V364-K433 HydrophobicContact CG2-CG 4.41Å
365	A	95	Very high	95.5	Very high	35 Å²	35	65.9 Å²	65.9	29%	0.289	31%	0.314	S	S	.	.	H	α-helix	trans	-63.3	-36.8	173.3	0	0	0	0	0	112.7	V361 T363 K369 L430	V361-A365 WeakPolarHBondContact O-CB 3.44Å; V361-A365 PolarHBondContact O-N 2.74Å; T363-A365 VanDerWaalsContact C-N 3.34Å; T363-A365 PolarHBondContact O-N 2.91Å; A365-K369 WeakPolarHBondContact O-CB 3.39Å; A365-K369 PolarHBondContact O-N 3.34Å; A365-L430 HydrophobicContact CB-CD1 4.17Å; A365-L430 HydrophobicContact CB-CD2 4.47Å
366	M	95.4	Very high	95.5	Very high	108 Å²	108	66.7 Å²	66.7	53%	0.532	32%	0.324	S	S	.	.	H	α-helix	trans	-69.7	-35.5	172.4	-76.4	-171.7	-70.1	0	0	113	E362 T363 V364 K370	E362-M366 WeakPolarHBondContact O-CB 3.38Å; E362-M366 WeakPolarHBondContact O-CG 3.29Å; E362-M366 PolarHBondContact O-N 3.39Å; T363-M366 PolarHBondContact O-N 3.35Å; V364-M366 VanDerWaalsContact C-N 3.33Å; V364-M366 PolarHBondContact O-N 2.98Å; M366-K370 WeakPolarHBondContact O-CG 3.24Å; M366-K370 PolarHBondContact O-N 3.43Å
367	E	96	Very high	95.4	Very high	65 Å²	65	66.3 Å²	66.3	30%	0.304	33%	0.327	S	S	.	.	H	α-helix	trans	-65.3	-49.5	172.9	-71.3	171.6	176.1	0	0	110.7	T363 V364 K369 K370 A371 L426 R429	T363-E367 WeakPolarHBondContact O-CG 3.37Å; T363-E367 PolarHBondContact O-N 2.98Å; V364-E367 PolarHBondContact O-N 2.95Å; E367-K369 VanDerWaalsContact C-N 3.29Å; E367-K369 PolarHBondContact O-N 3.11Å; E367-K370 WeakPolarHBondContact O-CB 3.41Å; E367-K370 PolarHBondContact O-N 2.9Å; E367-A371 PolarHBondContact O-N 3.14Å; E367-L426 HydrophobicContact CB-CD1 4.27Å; E367-L426 HydrophobicContact CB-CD2 3.87Å; E367-R429 IonicContact OE2-CZ 3.2Å; E367-R429 IonicContact OE2-NH1 3.22Å; E367-R429 PolarHBondContact OE2-NH1 2.98Å
368	L	94.9	Very high	95.4	Very high	28 Å²	28	70.2 Å²	70.2	15%	0.147	34%	0.34	C	S	.	.	H	α-helix	trans	-57.4	-40	177	-178.8	63.5	0	0	0	112.4	V364 K370 A371 R372 H423 L426 Q427 L430	V364-L368 WeakPolarHBondContact O-CB 3.37Å; V364-L368 PolarHBondContact O-N 2.71Å; L368-K370 VanDerWaalsContact C-N 3.33Å; L368-K370 PolarHBondContact O-N 2.87Å; L368-A371 PolarHBondContact O-N 2.62Å; L368-R372 PolarHBondContact O-N 2.7Å; L368-H423 VanDerWaalsContact CD1-CE1 3.43Å; L368-H423 WeakPolarHBondContact CD1-CE1 3.1Å; L368-H423 VanDerWaalsContact CD1-ND1 3.3Å; L368-H423 WeakPolarHBondContact CD1-ND1 3.47Å; L368-L426 HydrophobicContact CB-CB 4.28Å; L368-L426 HydrophobicContact CD1-CB 3.78Å; L368-Q427 HydrophobicContact CD1-CG 3.62Å; L368-Q427 HydrophobicContact CD2-CG 4.26Å; L368-L430 HydrophobicContact CD2-CD2 3.47Å; L368-L430 VanDerWaalsContact CD2-CD2 3.47Å
369	K	95.1	Very high	95.3	Very high	124 Å²	124	73.1 Å²	73.1	54%	0.539	35%	0.351	S	S	.	.	H	α-helix	trans	-62.5	-37.4	175.8	-175	170.1	-178.6	171.2	0	112.6	A365 E367 Q373	A365-K369 WeakPolarHBondContact O-CB 3.39Å; A365-K369 PolarHBondContact O-N 3.34Å; E367-K369 VanDerWaalsContact C-N 3.29Å; E367-K369 PolarHBondContact O-N 3.11Å; K369-Q373 WeakPolarHBondContact O-CG 3.4Å; K369-Q373 PolarHBondContact O-N 3.44Å
370	K	96.3	Very high	95.3	Very high	139 Å²	139	70.2 Å²	70.2	60%	0.604	35%	0.345	S	S	*	.	H	α-helix	trans	-70.5	-43.8	173.8	-65.8	166.1	-173.4	171.1	0	111.3	M366 E367 L368 R372 Q373 N374	M366-K370 WeakPolarHBondContact O-CG 3.24Å; M366-K370 PolarHBondContact O-N 3.43Å; E367-K370 WeakPolarHBondContact O-CB 3.41Å; E367-K370 PolarHBondContact O-N 2.9Å; L368-K370 VanDerWaalsContact C-N 3.33Å; L368-K370 PolarHBondContact O-N 2.87Å; K370-R372 VanDerWaalsContact C-N 3.34Å; K370-R372 PolarHBondContact O-N 3Å; K370-Q373 CarbonylContact O-C 3.46Å; K370-Q373 WeakPolarHBondContact O-CB 3.48Å; K370-Q373 PolarHBondContact O-N 3.49Å; K370-Q373 VanDerWaalsContact O-N 3.09Å; K370-N374 PolarHBondContact O-N 3.03Å
371	A	95.3	Very high	95.1	Very high	3 Å²	3	70.1 Å²	70.1	3%	0.025	35%	0.35	C	S	.	.	H	α-helix	trans	-61	-41.6	177.7	0	0	0	0	0	111.8	E367 L368 Q373 N374 V375 E422 H423 L426	E367-A371 PolarHBondContact O-N 3.14Å; L368-A371 PolarHBondContact O-N 2.62Å; A371-Q373 VanDerWaalsContact C-N 3.29Å; A371-Q373 PolarHBondContact O-N 3.41Å; A371-N374 WeakPolarHBondContact O-CA 3.22Å; A371-N374 WeakPolarHBondContact O-CB 3.13Å; A371-N374 PolarHBondContact O-N 3.25Å; A371-V375 VanDerWaalsContact O-CG2 3.26Å; A371-V375 WeakPolarHBondContact O-CG2 3.4Å; A371-V375 PolarHBondContact O-N 3.42Å; A371-E422 HydrophobicContact CB-CG 4.3Å; A371-H423 HydrophobicContact CB-CB 4.23Å; A371-L426 HydrophobicContact CB-CD1 3.57Å
372	R	95	Very high	95.1	Very high	132 Å²	132	72 Å²	72	50%	0.498	36%	0.356	S	S	.	.	H	α-helix	trans	-58.2	-39.1	172.9	-168.1	178.4	178.7	-171.6	1.4	112.4	L368 K370 V376	L368-R372 PolarHBondContact O-N 2.7Å; K370-R372 VanDerWaalsContact C-N 3.34Å; K370-R372 PolarHBondContact O-N 3Å; R372-V376 WeakPolarHBondContact O-CG2 3.48Å; R372-V376 PolarHBondContact O-N 3.08Å
373	Q	95	Very high	95.1	Very high	125 Å²	125	71 Å²	71	58%	0.584	35%	0.351	S	S	*	.	H	α-helix	trans	-70.2	-36	174.2	-69.8	176.5	-29.4	0	0	112.4	K369 K370 A371 L377	K369-Q373 WeakPolarHBondContact O-CG 3.4Å; K369-Q373 PolarHBondContact O-N 3.44Å; K370-Q373 CarbonylContact O-C 3.46Å; K370-Q373 WeakPolarHBondContact O-CB 3.48Å; K370-Q373 PolarHBondContact O-N 3.49Å; K370-Q373 VanDerWaalsContact O-N 3.09Å; A371-Q373 VanDerWaalsContact C-N 3.29Å; A371-Q373 PolarHBondContact O-N 3.41Å; Q373-L377 WeakPolarHBondContact O-CB 3.2Å; Q373-L377 PolarHBondContact O-N 3.34Å; Q373-L377 VanDerWaalsContact O-N 3.1Å
374	N	96	Very high	94.9	Very high	37 Å²	37	73.5 Å²	73.5	20%	0.198	36%	0.357	C	S	.	.	H	α-helix	trans	-60.8	-49.9	172.6	-168.6	23.5	0	0	0	110.3	K370 A371 V376 L377 R378 E422	K370-N374 PolarHBondContact O-N 3.03Å; A371-N374 WeakPolarHBondContact O-CA 3.22Å; A371-N374 WeakPolarHBondContact O-CB 3.13Å; A371-N374 PolarHBondContact O-N 3.25Å; N374-V376 PolarHBondContact O-N 3.4Å; N374-L377 WeakPolarHBondContact O-CB 3.33Å; N374-L377 PolarHBondContact O-N 3.31Å; N374-L377 VanDerWaalsContact O-N 3.12Å; N374-R378 WeakPolarHBondContact O-CG 3.48Å; N374-R378 PolarHBondContact O-N 3.46Å; N374-R378 PolarHBondContact OD1-NE 3.39Å; N374-R378 PolarHBondContact OD1-NH2 2.87Å; N374-E422 PolarHBondContact ND2-OE2 2.94Å
375	V	94.9	Very high	94.8	Very high	21 Å²	21	74 Å²	74	13%	0.127	36%	0.362	C	S	.	.	H	α-helix	trans	-52.3	-54.9	177.6	179.2	0	0	0	0	111.6	A371 L377 R378 E379 A419 H423	A371-V375 VanDerWaalsContact O-CG2 3.26Å; A371-V375 WeakPolarHBondContact O-CG2 3.4Å; A371-V375 PolarHBondContact O-N 3.42Å; V375-L377 VanDerWaalsContact C-N 3.28Å; V375-L377 PolarHBondContact O-N 2.84Å; V375-R378 PolarHBondContact O-N 3.18Å; V375-R378 VanDerWaalsContact O-N 3.11Å; V375-E379 WeakPolarHBondContact O-CB 3.43Å; V375-E379 PolarHBondContact O-N 3.38Å; V375-A419 HydrophobicContact CG2-CB 4.37Å; V375-A419 VanDerWaalsContact CG2-O 3.31Å; V375-A419 WeakPolarHBondContact CG2-O 3.46Å; V375-H423 HydrophobicContact CG2-CB 3.6Å
376	V	95.2	Very high	94.6	Very high	87 Å²	87	78.2 Å²	78.2	53%	0.527	37%	0.37	S	S	.	.	H	α-helix	trans	-59.7	-37.5	-179.8	174	0	0	0	0	111.9	R372 N374 S380	R372-V376 WeakPolarHBondContact O-CG2 3.48Å; R372-V376 PolarHBondContact O-N 3.08Å; N374-V376 PolarHBondContact O-N 3.4Å; V376-S380 WeakPolarHBondContact O-CB 3.18Å; V376-S380 PolarHBondContact O-N 3.26Å
377	L	95.2	Very high	94.4	Very high	104 Å²	104	76.2 Å²	76.2	55%	0.545	36%	0.36	S	S	.	.	H	α-helix	trans	-67.7	-40.6	176	-179.2	63.4	0	0	0	112.3	Q373 N374 V375 S381	Q373-L377 WeakPolarHBondContact O-CB 3.2Å; Q373-L377 PolarHBondContact O-N 3.34Å; Q373-L377 VanDerWaalsContact O-N 3.1Å; N374-L377 WeakPolarHBondContact O-CB 3.33Å; N374-L377 PolarHBondContact O-N 3.31Å; N374-L377 VanDerWaalsContact O-N 3.12Å; V375-L377 VanDerWaalsContact C-N 3.28Å; V375-L377 PolarHBondContact O-N 2.84Å; L377-S381 PolarHBondContact O-N 3.02Å; L377-S381 PolarHBondContact O-OG 3.44Å
378	R	94	Very high	94.1	Very high	91 Å²	91	76.7 Å²	76.7	34%	0.343	36%	0.364	S	S	.	.	H	α-helix	trans	-72.5	-38.8	176.9	-57.3	-48.1	169.9	163.8	1.8	112	N374 V375 S381 Y382 W416 A419	N374-R378 WeakPolarHBondContact O-CG 3.48Å; N374-R378 PolarHBondContact O-N 3.46Å; N374-R378 PolarHBondContact OD1-NE 3.39Å; N374-R378 PolarHBondContact OD1-NH2 2.87Å; V375-R378 PolarHBondContact O-N 3.18Å; V375-R378 VanDerWaalsContact O-N 3.11Å; R378-S381 CarbonylContact O-C 3.35Å; R378-S381 WeakPolarHBondContact O-CA 3.5Å; R378-S381 WeakPolarHBondContact O-CB 3.19Å; R378-S381 PolarHBondContact O-N 3.37Å; R378-Y382 WeakPolarHBondContact O-CB 3.18Å; R378-Y382 PolarHBondContact O-N 2.93Å; R378-W416 HydrophobicContact CB-CB 3.83Å; R378-A419 HydrophobicContact CB-CB 4.38Å; R378-A419 HydrophobicContact CG-CB 3.76Å
379	E	94.3	Very high	93.8	Very high	100 Å²	100	75.7 Å²	75.7	47%	0.467	36%	0.359	S	S	.	.	H	α-helix	trans	-59.2	-48.9	174.9	-175.9	178.3	-156.4	0	0	110.9	V375 S381 Y382 Q383	V375-E379 WeakPolarHBondContact O-CB 3.43Å; V375-E379 PolarHBondContact O-N 3.38Å; E379-S381 PolarHBondContact O-N 2.94Å; E379-Y382 PolarHBondContact O-N 3.39Å; E379-Q383 WeakPolarHBondContact O-CB 3.26Å; E379-Q383 PolarHBondContact O-N 2.77Å
380	S	94.7	Very high	93.5	Very high	48 Å²	48	75 Å²	75	34%	0.336	36%	0.358	S	S	.	.	H	α-helix	trans	-58.7	-34.2	173.5	-169.8	0	0	0	0	112.5	V376 K384	V376-S380 WeakPolarHBondContact O-CB 3.18Å; V376-S380 PolarHBondContact O-N 3.26Å; S380-K384 WeakPolarHBondContact O-CB 3.5Å; S380-K384 VanDerWaalsContact O-CD 3.24Å; S380-K384 WeakPolarHBondContact O-CD 3.37Å; S380-K384 WeakPolarHBondContact O-CG 3.21Å; S380-K384 PolarHBondContact O-N 2.88Å; S380-K384 PolarHBondContact OG-NZ 2.8Å
381	S	93.5	Very high	93.1	Very high	51 Å²	51	73.2 Å²	73.2	36%	0.357	35%	0.35	S	S	.	.	H	α-helix	trans	-73.5	-42.9	178.1	-57	0	0	0	0	112.2	L377 R378 E379 K384 A385	L377-S381 PolarHBondContact O-N 3.02Å; L377-S381 PolarHBondContact O-OG 3.44Å; R378-S381 CarbonylContact O-C 3.35Å; R378-S381 WeakPolarHBondContact O-CA 3.5Å; R378-S381 WeakPolarHBondContact O-CB 3.19Å; R378-S381 PolarHBondContact O-N 3.37Å; E379-S381 PolarHBondContact O-N 2.94Å; S381-K384 PolarHBondContact O-N 3.22Å; S381-A385 PolarHBondContact O-N 3.3Å
382	Y	94.8	Very high	92.5	Very high	48 Å²	48	73.1 Å²	73.1	19%	0.188	35%	0.349	C	S	.	.	H	α-helix	trans	-63.4	-46.5	175.1	169.5	-122.6	0	0	0	111.7	R378 E379 K384 A385 R386 Q409 A412 Y413	R378-Y382 WeakPolarHBondContact O-CB 3.18Å; R378-Y382 PolarHBondContact O-N 2.93Å; E379-Y382 PolarHBondContact O-N 3.39Å; Y382-K384 VanDerWaalsContact C-N 3.34Å; Y382-K384 PolarHBondContact O-N 3.26Å; Y382-A385 WeakPolarHBondContact O-CB 3.3Å; Y382-A385 PolarHBondContact O-N 2.89Å; Y382-R386 WeakPolarHBondContact O-CB 3.2Å; Y382-R386 PolarHBondContact O-N 2.8Å; Y382-Q409 HydrophobicContact CD2-CG 4.28Å; Y382-Q409 HydrophobicContact CE2-CG 3.83Å; Y382-A412 HydrophobicContact CD2-CB 4.44Å; Y382-Y413 HydrophobicContact CE1-CD2 4.29Å; Y382-Y413 AromaticContact CE2-CD2 4Å; Y382-Y413 HydrophobicContact CE2-CD2 4Å; Y382-Y413 HydrophobicContact CE2-CG 4.37Å; Y382-Y413 AromaticContact CZ-CD2 3.86Å
383	Q	93.9	Very high	92	Very high	78 Å²	78	70.4 Å²	70.4	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-61.1	-41.1	177.2	-178	62.7	10.5	0	0	111.7	E379 A385 R386 E387	E379-Q383 WeakPolarHBondContact O-CB 3.26Å; E379-Q383 PolarHBondContact O-N 2.77Å; Q383-A385 VanDerWaalsContact C-N 3.34Å; Q383-A385 PolarHBondContact O-N 3.49Å; Q383-R386 PolarHBondContact O-N 3.08Å; Q383-E387 WeakPolarHBondContact O-CB 3.37Å; Q383-E387 WeakPolarHBondContact O-CG 3.4Å; Q383-E387 PolarHBondContact O-N 2.99Å
384	K	93.8	Very high	91.4	Very high	116 Å²	116	70.3 Å²	70.3	50%	0.504	35%	0.346	S	S	.	.	H	α-helix	trans	-62.2	-38	172.3	-74.1	163.2	-175	146.8	0	112.7	S380 S381 Y382 N388	S380-K384 WeakPolarHBondContact O-CB 3.5Å; S380-K384 VanDerWaalsContact O-CD 3.24Å; S380-K384 WeakPolarHBondContact O-CD 3.37Å; S380-K384 WeakPolarHBondContact O-CG 3.21Å; S380-K384 PolarHBondContact O-N 2.88Å; S380-K384 PolarHBondContact OG-NZ 2.8Å; S381-K384 PolarHBondContact O-N 3.22Å; Y382-K384 VanDerWaalsContact C-N 3.34Å; Y382-K384 PolarHBondContact O-N 3.26Å; K384-N388 WeakPolarHBondContact O-CB 3.44Å; K384-N388 VanDerWaalsContact O-CG 3.29Å; K384-N388 PolarHBondContact O-N 3.15Å; K384-N388 PolarHBondContact O-ND2 3.18Å
385	A	91.8	Very high	90.7	Very high	14 Å²	14	74.5 Å²	74.5	12%	0.116	37%	0.367	C	S	.	.	H	α-helix	trans	-68.9	-44.7	177.2	0	0	0	0	0	111.9	S381 Y382 Q383 N388 V389 Q409 A412	S381-A385 PolarHBondContact O-N 3.3Å; Y382-A385 WeakPolarHBondContact O-CB 3.3Å; Y382-A385 PolarHBondContact O-N 2.89Å; Q383-A385 VanDerWaalsContact C-N 3.34Å; Q383-A385 PolarHBondContact O-N 3.49Å; A385-N388 WeakPolarHBondContact O-CB 3.41Å; A385-N388 PolarHBondContact O-N 2.89Å; A385-N388 VanDerWaalsContact O-N 3.12Å; A385-V389 PolarHBondContact O-N 3.08Å; A385-Q409 HydrophobicContact CB-CB 4.17Å; A385-A412 HydrophobicContact CB-CB 3.89Å
386	R	91.8	Very high	89.7	Confident	123 Å²	123	82.7 Å²	82.7	46%	0.464	40%	0.401	S	S	.	.	H	α-helix	trans	-57.5	-48.1	173.4	179.2	-174.6	177.2	-164.2	6.2	112.3	Y382 Q383 N388 V389 Q390 Q409	Y382-R386 WeakPolarHBondContact O-CB 3.2Å; Y382-R386 PolarHBondContact O-N 2.8Å; Q383-R386 PolarHBondContact O-N 3.08Å; R386-N388 VanDerWaalsContact C-N 3.3Å; R386-N388 PolarHBondContact O-N 3.49Å; R386-V389 PolarHBondContact O-N 3.2Å; R386-Q390 PolarHBondContact O-N 3.14Å; R386-Q409 HydrophobicContact CB-CG 4.42Å
387	E	91.5	Very high	88.5	Confident	67 Å²	67	80.8 Å²	80.8	31%	0.313	39%	0.388	S	S	.	.	H	α-helix	trans	-58.4	-41.3	173.1	-80.3	-177.9	-140.5	0	0	112.2	Q383 V389 Q390 K391	Q383-E387 WeakPolarHBondContact O-CB 3.37Å; Q383-E387 WeakPolarHBondContact O-CG 3.4Å; Q383-E387 PolarHBondContact O-N 2.99Å; E387-V389 VanDerWaalsContact C-N 3.33Å; E387-V389 PolarHBondContact O-N 3.19Å; E387-Q390 PolarHBondContact O-N 3Å; E387-K391 HydrophobicContact CB-CD 4.42Å; E387-K391 VanDerWaalsContact O-CB 3.25Å; E387-K391 WeakPolarHBondContact O-CB 3.26Å; E387-K391 VanDerWaalsContact O-CD 3.32Å; E387-K391 WeakPolarHBondContact O-CD 3.45Å; E387-K391 WeakPolarHBondContact O-CG 3.34Å; E387-K391 PolarHBondContact O-N 2.87Å; E387-K391 IonicContact OE2-NZ 2.7Å; E387-K391 PolarHBondContact OE2-NZ 3.08Å
388	N	89.4	Confident	87.6	Confident	74 Å²	74	80.7 Å²	80.7	40%	0.396	39%	0.388	S	S	.	.	H	α-helix	trans	-66.2	-33.1	179.1	-81.4	-41.9	0	0	0	112.6	K384 A385 R386 S392	K384-N388 WeakPolarHBondContact O-CB 3.44Å; K384-N388 VanDerWaalsContact O-CG 3.29Å; K384-N388 PolarHBondContact O-N 3.15Å; K384-N388 PolarHBondContact O-ND2 3.18Å; A385-N388 WeakPolarHBondContact O-CB 3.41Å; A385-N388 PolarHBondContact O-N 2.89Å; A385-N388 VanDerWaalsContact O-N 3.12Å; R386-N388 VanDerWaalsContact C-N 3.3Å; R386-N388 PolarHBondContact O-N 3.49Å; N388-S392 PolarHBondContact O-N 3.39Å; N388-S392 PolarHBondContact O-OG 2.95Å
389	V	88.5	Confident	87.1	Confident	7 Å²	7	80.9 Å²	80.9	4%	0.042	40%	0.403	C	S	.	.	H	α-helix	trans	-67	-52.9	171.1	172.4	0	0	0	0	110.4	A385 R386 E387 K391 S392 E393 R405 R406 Q409	A385-V389 PolarHBondContact O-N 3.08Å; R386-V389 PolarHBondContact O-N 3.2Å; E387-V389 VanDerWaalsContact C-N 3.33Å; E387-V389 PolarHBondContact O-N 3.19Å; V389-K391 VanDerWaalsContact C-N 3.31Å; V389-K391 PolarHBondContact O-N 2.75Å; V389-S392 WeakPolarHBondContact O-CA 3.35Å; V389-S392 WeakPolarHBondContact O-CB 2.93Å; V389-S392 PolarHBondContact O-N 3.14Å; V389-E393 HydrophobicContact CG1-CG 4.49Å; V389-E393 PolarHBondContact O-N 3.28Å; V389-R405 VanDerWaalsContact CG2-C 3.47Å; V389-R405 HydrophobicContact CG2-CB 3.98Å; V389-R405 VanDerWaalsContact CG2-O 3.31Å; V389-R405 WeakPolarHBondContact CG2-O 3.33Å; V389-R406 HydrophobicContact CG1-CG 3.92Å; V389-R406 HydrophobicContact CG2-CG 4.27Å; V389-Q409 HydrophobicContact CG2-CB 3.99Å; V389-Q409 VanDerWaalsContact CG2-OE1 3.32Å
390	Q	87.9	Confident	86.6	Confident	111 Å²	111	81.6 Å²	81.6	52%	0.519	41%	0.407	S	S	.	.	H	α-helix	trans	-57	-42.3	179	-170	-178.4	13.5	0	0	112.4	R386 E387 S392 E393 N394	R386-Q390 PolarHBondContact O-N 3.14Å; E387-Q390 PolarHBondContact O-N 3Å; Q390-S392 PolarHBondContact O-N 3.25Å; Q390-E393 PolarHBondContact O-N 3.03Å; Q390-N394 WeakPolarHBondContact O-CB 3.44Å; Q390-N394 VanDerWaalsContact O-CG 3.27Å; Q390-N394 PolarHBondContact O-N 3.42Å
391	K	88	Confident	86.1	Confident	101 Å²	101	84.1 Å²	84.1	44%	0.439	41%	0.411	S	S	.	.	H	α-helix	trans	-62.9	-27.1	173.8	-72.7	161.7	-178.5	166.5	0	112.5	E387 V389 L395	E387-K391 HydrophobicContact CB-CD 4.42Å; E387-K391 VanDerWaalsContact O-CB 3.25Å; E387-K391 WeakPolarHBondContact O-CB 3.26Å; E387-K391 VanDerWaalsContact O-CD 3.32Å; E387-K391 WeakPolarHBondContact O-CD 3.45Å; E387-K391 WeakPolarHBondContact O-CG 3.34Å; E387-K391 PolarHBondContact O-N 2.87Å; E387-K391 IonicContact OE2-NZ 2.7Å; E387-K391 PolarHBondContact OE2-NZ 3.08Å; V389-K391 VanDerWaalsContact C-N 3.31Å; V389-K391 PolarHBondContact O-N 2.75Å; K391-L395 VanDerWaalsContact O-CB 3.31Å; K391-L395 WeakPolarHBondContact O-CB 3.48Å; K391-L395 VanDerWaalsContact O-CD1 3.31Å; K391-L395 WeakPolarHBondContact O-CD1 3.24Å; K391-L395 WeakPolarHBondContact O-CG 3.41Å; K391-L395 PolarHBondContact O-N 3.07Å
392	S	84.3	Confident	85.6	Confident	0 Å²	0	83 Å²	83	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-78	-41.4	177.5	-53.4	0	0	0	0	113	N388 V389 Q390 L395 K396 L397 R405	N388-S392 PolarHBondContact O-N 3.39Å; N388-S392 PolarHBondContact O-OG 2.95Å; V389-S392 WeakPolarHBondContact O-CA 3.35Å; V389-S392 WeakPolarHBondContact O-CB 2.93Å; V389-S392 PolarHBondContact O-N 3.14Å; Q390-S392 PolarHBondContact O-N 3.25Å; S392-L395 PolarHBondContact O-N 2.86Å; S392-K396 PolarHBondContact O-N 2.95Å; S392-L397 PolarHBondContact O-N 2.82Å; S392-R405 WeakPolarHBondContact OG-CD 3.44Å; S392-R405 PolarHBondContact OG-NH1 3.11Å
393	E	83.1	Confident	85.3	Confident	75 Å²	75	84.7 Å²	84.7	35%	0.35	41%	0.411	S	S	.	.	H	α-helix	trans	-69	-44.3	-179.6	-66.6	170.6	155.9	0	0	109.9	V389 Q390 L395 K396 I402 R406	V389-E393 HydrophobicContact CG1-CG 4.49Å; V389-E393 PolarHBondContact O-N 3.28Å; Q390-E393 PolarHBondContact O-N 3.03Å; E393-L395 VanDerWaalsContact C-N 3.3Å; E393-L395 PolarHBondContact O-N 2.84Å; E393-K396 PolarHBondContact O-N 3.21Å; E393-K396 VanDerWaalsContact O-N 3.12Å; E393-I402 HydrophobicContact CG-CD1 4.33Å; E393-I402 HydrophobicContact CG-CG2 3.98Å; E393-R406 IonicContact OE1-CZ 3.35Å; E393-R406 IonicContact OE1-NE 3.15Å; E393-R406 PolarHBondContact OE1-NE 3.15Å; E393-R406 VanDerWaalsContact OE1-NE 3.15Å; E393-R406 IonicContact OE1-NH2 2.78Å; E393-R406 PolarHBondContact OE1-NH2 2.97Å
394	N	83	Confident	85.1	Confident	124 Å²	124	88.6 Å²	88.6	66%	0.663	42%	0.422	S	S	*	.	H	α-helix	trans	-59.3	-36.8	172.1	-71.7	-7	0	0	0	113.2	Q390 K396	Q390-N394 WeakPolarHBondContact O-CB 3.44Å; Q390-N394 VanDerWaalsContact O-CG 3.27Å; Q390-N394 PolarHBondContact O-N 3.42Å; N394-K396 VanDerWaalsContact C-N 3.29Å; N394-K396 PolarHBondContact O-N 3.34Å
395	L	81.2	Confident	84.9	Confident	125 Å²	125	86.9 Å²	86.9	65%	0.654	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	1.7	179.1	-74.1	174	0	0	0	114	K391 S392 E393 L397	K391-L395 VanDerWaalsContact O-CB 3.31Å; K391-L395 WeakPolarHBondContact O-CB 3.48Å; K391-L395 VanDerWaalsContact O-CD1 3.31Å; K391-L395 WeakPolarHBondContact O-CD1 3.24Å; K391-L395 WeakPolarHBondContact O-CG 3.41Å; K391-L395 PolarHBondContact O-N 3.07Å; S392-L395 PolarHBondContact O-N 2.86Å; E393-L395 VanDerWaalsContact C-N 3.3Å; E393-L395 PolarHBondContact O-N 2.84Å; L395-L397 HydrophobicContact CB-CD2 4.39Å; L395-L397 HydrophobicContact CB-CG 4.03Å; L395-L397 PolarHBondContact O-N 3.48Å; L395-L397 VanDerWaalsContact O-N 3.17Å
396	K	74.8	Confident	84.8	Confident	192 Å²	192	92 Å²	92	84%	0.835	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	42.7	-176.7	-60.2	-175.4	180	-179.4	0	112.9	S392 E393 N394	S392-K396 PolarHBondContact O-N 2.95Å; E393-K396 PolarHBondContact O-N 3.21Å; E393-K396 VanDerWaalsContact O-N 3.12Å; N394-K396 VanDerWaalsContact C-N 3.29Å; N394-K396 PolarHBondContact O-N 3.34Å
397	L	68.1	Low	84.8	Confident	48 Å²	48	91.6 Å²	91.6	25%	0.251	43%	0.43	S	S	.	.			trans	-64.1	159.3	176.2	-67.1	-179.5	0	0	0	111.1	S392 L395 K401 I402	S392-L397 PolarHBondContact O-N 2.82Å; L395-L397 HydrophobicContact CB-CD2 4.39Å; L395-L397 HydrophobicContact CB-CG 4.03Å; L395-L397 PolarHBondContact O-N 3.48Å; L395-L397 VanDerWaalsContact O-N 3.17Å; L397-K401 HydrophobicContact CB-CD 4.42Å; L397-K401 HydrophobicContact CD1-CD 4.11Å; L397-I402 HydrophobicContact CB-CG1 4.27Å; L397-I402 VanDerWaalsContact O-CD1 3.27Å; L397-I402 WeakPolarHBondContact O-CD1 2.97Å
398	D	77.3	Confident	84.7	Confident	101 Å²	101	93.2 Å²	93.2	54%	0.54	44%	0.441	S	S	.	.			trans	-46.7	140.8	173.6	162.5	60.7	0	0	0	112.6	Q400 K401 I402	D398-Q400 VanDerWaalsContact C-N 3.3Å; D398-Q400 PolarHBondContact O-N 3.07Å; D398-Q400 WeakPolarHBondContact OD2-CA 3.5Å; D398-Q400 WeakPolarHBondContact OD2-CB 3.46Å; D398-Q400 PolarHBondContact OD2-N 3.3Å; D398-K401 HydrophobicContact CB-CB 4.29Å; D398-K401 WeakPolarHBondContact O-CA 3.4Å; D398-K401 WeakPolarHBondContact O-CB 3.09Å; D398-K401 PolarHBondContact O-N 3.01Å; D398-K401 PolarHBondContact OD2-N 3.28Å; D398-K401 VanDerWaalsContact OD2-N 3.1Å; D398-I402 PolarHBondContact O-N 3.11Å
399	S	82.5	Confident	84.9	Confident	95 Å²	95	91.9 Å²	91.9	66%	0.664	43%	0.432	S	S	*	.	H	α-helix	trans	-56.4	-42.6	-177.2	-174.9	0	0	0	0	112.1	K401 I402 E403	S399-K401 VanDerWaalsContact C-N 3.25Å; S399-K401 PolarHBondContact O-N 3.28Å; S399-I402 PolarHBondContact O-N 3.5Å; S399-E403 WeakPolarHBondContact O-CB 3.31Å; S399-E403 PolarHBondContact O-N 2.86Å
400	Q	85.7	Confident	85.1	Confident	116 Å²	116	97.4 Å²	97.4	54%	0.542	46%	0.458	S	S	.	.	H	α-helix	trans	-66.3	-29.9	178.1	-153.2	-166	61.6	0	0	111.9	D398 R404	D398-Q400 VanDerWaalsContact C-N 3.3Å; D398-Q400 PolarHBondContact O-N 3.07Å; D398-Q400 WeakPolarHBondContact OD2-CA 3.5Å; D398-Q400 WeakPolarHBondContact OD2-CB 3.46Å; D398-Q400 PolarHBondContact OD2-N 3.3Å; Q400-R404 WeakPolarHBondContact O-CB 3.45Å; Q400-R404 WeakPolarHBondContact O-CG 3.5Å; Q400-R404 PolarHBondContact O-N 3.48Å; Q400-R404 VanDerWaalsContact O-N 3.08Å
401	K	82.9	Confident	85.4	Confident	100 Å²	100	96.2 Å²	96.2	44%	0.435	45%	0.452	S	S	.	.	H	α-helix	trans	-76.9	-33.9	175.8	-168.6	172.6	-179	179.5	0	113.2	L397 D398 S399 R405	L397-K401 HydrophobicContact CB-CD 4.42Å; L397-K401 HydrophobicContact CD1-CD 4.11Å; D398-K401 HydrophobicContact CB-CB 4.29Å; D398-K401 WeakPolarHBondContact O-CA 3.4Å; D398-K401 WeakPolarHBondContact O-CB 3.09Å; D398-K401 PolarHBondContact O-N 3.01Å; D398-K401 PolarHBondContact OD2-N 3.28Å; D398-K401 VanDerWaalsContact OD2-N 3.1Å; S399-K401 VanDerWaalsContact C-N 3.25Å; S399-K401 PolarHBondContact O-N 3.28Å; K401-R405 WeakPolarHBondContact O-CG 3.22Å; K401-R405 PolarHBondContact O-N 3.05Å
402	I	84.3	Confident	85.6	Confident	28 Å²	28	92.1 Å²	92.1	14%	0.144	44%	0.437	C	S	.	.	H	α-helix	trans	-66.9	-48.4	170.5	-65	174.5	0	0	0	109.5	E393 L397 D398 S399 R404 R405 R406	E393-I402 HydrophobicContact CG-CD1 4.33Å; E393-I402 HydrophobicContact CG-CG2 3.98Å; L397-I402 HydrophobicContact CB-CG1 4.27Å; L397-I402 VanDerWaalsContact O-CD1 3.27Å; L397-I402 WeakPolarHBondContact O-CD1 2.97Å; D398-I402 PolarHBondContact O-N 3.11Å; S399-I402 PolarHBondContact O-N 3.5Å; I402-R404 PolarHBondContact O-N 2.75Å; I402-R405 CarbonylContact O-C 3.59Å; I402-R405 WeakPolarHBondContact O-CA 3.24Å; I402-R405 WeakPolarHBondContact O-CB 3.26Å; I402-R405 PolarHBondContact O-N 3.33Å; I402-R406 HydrophobicContact CG2-CG 4.45Å; I402-R406 PolarHBondContact O-N 3.11Å
403	E	87.8	Confident	86.2	Confident	83 Å²	83	96.2 Å²	96.2	39%	0.388	45%	0.453	S	S	.	.	H	α-helix	trans	-58.9	-46.3	-180	178.2	59.1	-167.7	0	0	112.6	S399 R405 R406 K407	S399-E403 WeakPolarHBondContact O-CB 3.31Å; S399-E403 PolarHBondContact O-N 2.86Å; E403-R405 PolarHBondContact O-N 3.36Å; E403-R406 PolarHBondContact O-N 3.29Å; E403-K407 PolarHBondContact O-N 3.15Å; E403-K407 VanDerWaalsContact O-N 3.12Å; E403-K407 WeakPolarHBondContact OE1-CE 3.43Å; E403-K407 IonicContact OE1-NZ 3.5Å; E403-K407 PolarHBondContact OE1-NZ 3.05Å
404	R	88.5	Confident	86.8	Confident	160 Å²	160	96.4 Å²	96.4	60%	0.604	46%	0.456	S	S	*	.	H	α-helix	trans	-57.8	-31.8	173.1	-73.6	172.9	-164.3	-145.9	11.1	112.9	Q400 I402 L408	Q400-R404 WeakPolarHBondContact O-CB 3.45Å; Q400-R404 WeakPolarHBondContact O-CG 3.5Å; Q400-R404 PolarHBondContact O-N 3.48Å; Q400-R404 VanDerWaalsContact O-N 3.08Å; I402-R404 PolarHBondContact O-N 2.75Å; R404-L408 WeakPolarHBondContact O-CG 3.39Å; R404-L408 PolarHBondContact O-N 2.7Å
405	R	89.7	Confident	87.4	Confident	80 Å²	80	96 Å²	96	30%	0.302	45%	0.445	S	S	.	.	H	α-helix	trans	-80.7	-33.3	178.1	-74.8	177.5	167.1	-170.8	-9	112.5	V389 S392 K401 I402 E403 L408 Q409	V389-R405 VanDerWaalsContact CG2-C 3.47Å; V389-R405 HydrophobicContact CG2-CB 3.98Å; V389-R405 VanDerWaalsContact CG2-O 3.31Å; V389-R405 WeakPolarHBondContact CG2-O 3.33Å; S392-R405 WeakPolarHBondContact OG-CD 3.44Å; S392-R405 PolarHBondContact OG-NH1 3.11Å; K401-R405 WeakPolarHBondContact O-CG 3.22Å; K401-R405 PolarHBondContact O-N 3.05Å; I402-R405 CarbonylContact O-C 3.59Å; I402-R405 WeakPolarHBondContact O-CA 3.24Å; I402-R405 WeakPolarHBondContact O-CB 3.26Å; I402-R405 PolarHBondContact O-N 3.33Å; E403-R405 PolarHBondContact O-N 3.36Å; R405-L408 PolarHBondContact O-N 2.94Å; R405-Q409 PolarHBondContact O-N 2.89Å
406	R	89.9	Confident	88.1	Confident	123 Å²	123	93.3 Å²	93.3	46%	0.464	43%	0.426	S	S	.	.	H	α-helix	trans	-60.7	-44.3	171.6	-73	178.6	173.4	-171.2	-4.4	111.5	V389 E393 I402 E403 L408 Q409 E410	V389-R406 HydrophobicContact CG1-CG 3.92Å; V389-R406 HydrophobicContact CG2-CG 4.27Å; E393-R406 IonicContact OE1-CZ 3.35Å; E393-R406 IonicContact OE1-NE 3.15Å; E393-R406 PolarHBondContact OE1-NE 3.15Å; E393-R406 VanDerWaalsContact OE1-NE 3.15Å; E393-R406 IonicContact OE1-NH2 2.78Å; E393-R406 PolarHBondContact OE1-NH2 2.97Å; I402-R406 HydrophobicContact CG2-CG 4.45Å; I402-R406 PolarHBondContact O-N 3.11Å; E403-R406 PolarHBondContact O-N 3.29Å; R406-L408 VanDerWaalsContact C-N 3.31Å; R406-L408 PolarHBondContact O-N 2.84Å; R406-Q409 WeakPolarHBondContact O-CA 3.42Å; R406-Q409 WeakPolarHBondContact O-CB 3.32Å; R406-Q409 PolarHBondContact O-N 3.32Å; R406-E410 PolarHBondContact O-N 3.47Å
407	K	91.9	Very high	89.1	Confident	113 Å²	113	88.2 Å²	88.2	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-60.2	-38.4	174.3	-64.4	-170.7	-174.1	-167.8	0	113	E403 Q409 E410 E411	E403-K407 PolarHBondContact O-N 3.15Å; E403-K407 VanDerWaalsContact O-N 3.12Å; E403-K407 WeakPolarHBondContact OE1-CE 3.43Å; E403-K407 IonicContact OE1-NZ 3.5Å; E403-K407 PolarHBondContact OE1-NZ 3.05Å; K407-Q409 VanDerWaalsContact C-N 3.33Å; K407-Q409 PolarHBondContact O-N 2.7Å; K407-E410 PolarHBondContact O-N 3.12Å; K407-E411 VanDerWaalsContact O-CB 3.28Å; K407-E411 WeakPolarHBondContact O-CB 3.41Å; K407-E411 PolarHBondContact O-N 3.47Å
408	L	91	Very high	90.4	Very high	102 Å²	102	91.7 Å²	91.7	53%	0.534	42%	0.42	S	S	.	.	H	α-helix	trans	-68.1	-28.1	173.4	-70	170.8	0	0	0	113.5	R404 R405 R406 A412	R404-L408 WeakPolarHBondContact O-CG 3.39Å; R404-L408 PolarHBondContact O-N 2.7Å; R405-L408 PolarHBondContact O-N 2.94Å; R406-L408 VanDerWaalsContact C-N 3.31Å; R406-L408 PolarHBondContact O-N 2.84Å; L408-A412 WeakPolarHBondContact O-CB 3.46Å; L408-A412 PolarHBondContact O-N 2.9Å
409	Q	91.9	Very high	91.3	Very high	45 Å²	45	87 Å²	87	21%	0.21	40%	0.396	C	S	.	.	H	α-helix	trans	-72.5	-44.3	171.5	178.5	-174.6	-20.5	0	0	111.5	Y382 A385 R386 V389 R405 R406 K407 A412 Y413	Y382-Q409 HydrophobicContact CD2-CG 4.28Å; Y382-Q409 HydrophobicContact CE2-CG 3.83Å; A385-Q409 HydrophobicContact CB-CB 4.17Å; R386-Q409 HydrophobicContact CB-CG 4.42Å; V389-Q409 HydrophobicContact CG2-CB 3.99Å; V389-Q409 VanDerWaalsContact CG2-OE1 3.32Å; R405-Q409 PolarHBondContact O-N 2.89Å; R406-Q409 WeakPolarHBondContact O-CA 3.42Å; R406-Q409 WeakPolarHBondContact O-CB 3.32Å; R406-Q409 PolarHBondContact O-N 3.32Å; K407-Q409 VanDerWaalsContact C-N 3.33Å; K407-Q409 PolarHBondContact O-N 2.7Å; Q409-A412 PolarHBondContact O-N 2.98Å; Q409-A412 VanDerWaalsContact O-N 3.12Å; Q409-Y413 WeakPolarHBondContact O-CB 3.43Å; Q409-Y413 PolarHBondContact O-N 3.4Å
410	E	93	Very high	92	Very high	124 Å²	124	84.1 Å²	84.1	58%	0.579	38%	0.376	S	S	*	.	H	α-helix	trans	-60.8	-46.4	175.6	-175	175.2	-152.1	0	0	111.3	R406 K407 A412 Y413 L414	R406-E410 PolarHBondContact O-N 3.47Å; K407-E410 PolarHBondContact O-N 3.12Å; E410-A412 PolarHBondContact O-N 2.94Å; E410-Y413 WeakPolarHBondContact O-CB 3.18Å; E410-Y413 PolarHBondContact O-N 2.69Å; E410-L414 HydrophobicContact CG-CD1 4.42Å; E410-L414 WeakPolarHBondContact O-CG 3.4Å; E410-L414 PolarHBondContact O-N 3.07Å
411	E	93.6	Very high	92.5	Very high	86 Å²	86	84.4 Å²	84.4	40%	0.402	38%	0.377	S	S	.	.	H	α-helix	trans	-59.2	-28.4	171.2	-99.6	-160.3	-112.5	0	0	114.4	K407 R415	K407-E411 VanDerWaalsContact O-CB 3.28Å; K407-E411 WeakPolarHBondContact O-CB 3.41Å; K407-E411 PolarHBondContact O-N 3.47Å; E411-R415 VanDerWaalsContact O-CG 3.31Å; E411-R415 WeakPolarHBondContact O-CG 3.23Å; E411-R415 PolarHBondContact O-NH1 2.74Å; E411-R415 IonicContact OE2-CZ 3.72Å; E411-R415 IonicContact OE2-NH1 2.7Å; E411-R415 PolarHBondContact OE2-NH1 2.87Å; E411-R415 IonicContact OE2-NH2 2.77Å; E411-R415 PolarHBondContact OE2-NH2 2.82Å
412	A	94.1	Very high	93	Very high	14 Å²	14	83.9 Å²	83.9	12%	0.116	38%	0.376	C	S	.	.	H	α-helix	trans	-85.3	-35.1	176.9	0	0	0	0	0	111.8	Y382 A385 L408 Q409 E410 W416	Y382-A412 HydrophobicContact CD2-CB 4.44Å; A385-A412 HydrophobicContact CB-CB 3.89Å; L408-A412 WeakPolarHBondContact O-CB 3.46Å; L408-A412 PolarHBondContact O-N 2.9Å; Q409-A412 PolarHBondContact O-N 2.98Å; Q409-A412 VanDerWaalsContact O-N 3.12Å; E410-A412 PolarHBondContact O-N 2.94Å; A412-W416 PolarHBondContact O-N 3.48Å; A412-W416 VanDerWaalsContact O-N 3.1Å
413	Y	95.4	Very high	93.6	Very high	87 Å²	87	84.3 Å²	84.3	34%	0.341	38%	0.377	S	S	.	.	H	α-helix	trans	-60.9	-53.8	172.5	176.4	-95.1	0	0	0	111	Y382 Q409 E410 R415 W416 E417	Y382-Y413 HydrophobicContact CE1-CD2 4.29Å; Y382-Y413 AromaticContact CE2-CD2 4Å; Y382-Y413 HydrophobicContact CE2-CD2 4Å; Y382-Y413 HydrophobicContact CE2-CG 4.37Å; Y382-Y413 AromaticContact CZ-CD2 3.86Å; Q409-Y413 WeakPolarHBondContact O-CB 3.43Å; Q409-Y413 PolarHBondContact O-N 3.4Å; E410-Y413 WeakPolarHBondContact O-CB 3.18Å; E410-Y413 PolarHBondContact O-N 2.69Å; Y413-R415 VanDerWaalsContact C-N 3.25Å; Y413-R415 PolarHBondContact O-N 2.88Å; Y413-W416 AromaticContact CD2-CE3 3.99Å; Y413-W416 HydrophobicContact CD2-CE3 3.99Å; Y413-W416 HydrophobicContact CD2-CZ3 4.14Å; Y413-W416 AromaticContact CE2-CE3 3.94Å; Y413-W416 HydrophobicContact CE2-CE3 3.94Å; Y413-W416 AromaticContact CE2-CZ3 3.63Å; Y413-W416 HydrophobicContact CE2-CZ3 3.63Å; Y413-W416 CarbonylContact O-C 3.57Å; Y413-W416 WeakPolarHBondContact O-CA 3.22Å; Y413-W416 WeakPolarHBondContact O-CB 3.21Å; Y413-W416 PolarHBondContact O-N 2.9Å; Y413-E417 HydrophobicContact CE1-CB 4.48Å; Y413-E417 WeakPolarHBondContact CE1-OE2 3.44Å; Y413-E417 WeakPolarHBondContact O-CB 3.44Å; Y413-E417 PolarHBondContact O-N 3.09Å; Y413-E417 PolarHBondContact OH-OE1 3.23Å
414	L	95.9	Very high	94	Very high	79 Å²	79	86.9 Å²	86.9	41%	0.414	38%	0.383	S	S	.	.	H	α-helix	trans	-57.8	-37.3	-180	-70.3	168.2	0	0	0	112.3	E410 Q418	E410-L414 HydrophobicContact CG-CD1 4.42Å; E410-L414 WeakPolarHBondContact O-CG 3.4Å; E410-L414 PolarHBondContact O-N 3.07Å; L414-Q418 WeakPolarHBondContact O-CB 3.38Å; L414-Q418 WeakPolarHBondContact O-CG 3.45Å; L414-Q418 PolarHBondContact O-N 3.24Å
415	R	95	Very high	94.4	Very high	114 Å²	114	83.6 Å²	83.6	43%	0.43	38%	0.377	S	S	.	.	H	α-helix	trans	-72.3	-27.8	175.7	-71.1	-179	-174.2	105.5	-5.3	113.5	E411 Y413 A419	E411-R415 VanDerWaalsContact O-CG 3.31Å; E411-R415 WeakPolarHBondContact O-CG 3.23Å; E411-R415 PolarHBondContact O-NH1 2.74Å; E411-R415 IonicContact OE2-CZ 3.72Å; E411-R415 IonicContact OE2-NH1 2.7Å; E411-R415 PolarHBondContact OE2-NH1 2.87Å; E411-R415 IonicContact OE2-NH2 2.77Å; E411-R415 PolarHBondContact OE2-NH2 2.82Å; Y413-R415 VanDerWaalsContact C-N 3.25Å; Y413-R415 PolarHBondContact O-N 2.88Å; R415-A419 WeakPolarHBondContact O-CB 3.34Å; R415-A419 PolarHBondContact O-N 2.75Å
416	W	96.3	Very high	94.7	Very high	70 Å²	70	80.7 Å²	80.7	27%	0.265	37%	0.368	S	S	.	.	H	α-helix	trans	-77.3	-40.5	173.3	165.6	77.8	0	0	0	111.8	R378 A412 Y413 A419 S420	R378-W416 HydrophobicContact CB-CB 3.83Å; A412-W416 PolarHBondContact O-N 3.48Å; A412-W416 VanDerWaalsContact O-N 3.1Å; Y413-W416 AromaticContact CD2-CE3 3.99Å; Y413-W416 HydrophobicContact CD2-CE3 3.99Å; Y413-W416 HydrophobicContact CD2-CZ3 4.14Å; Y413-W416 AromaticContact CE2-CE3 3.94Å; Y413-W416 HydrophobicContact CE2-CE3 3.94Å; Y413-W416 AromaticContact CE2-CZ3 3.63Å; Y413-W416 HydrophobicContact CE2-CZ3 3.63Å; Y413-W416 CarbonylContact O-C 3.57Å; Y413-W416 WeakPolarHBondContact O-CA 3.22Å; Y413-W416 WeakPolarHBondContact O-CB 3.21Å; Y413-W416 PolarHBondContact O-N 2.9Å; W416-A419 PolarHBondContact O-N 2.94Å; W416-S420 WeakPolarHBondContact O-CB 3.48Å; W416-S420 PolarHBondContact O-N 3.47Å; W416-S420 PolarHBondContact O-OG 3.48Å
417	E	96	Very high	95	Very high	84 Å²	84	79.5 Å²	79.5	39%	0.393	37%	0.367	S	S	.	.	H	α-helix	trans	-60.9	-47.8	174.3	-173.5	170.9	-128.9	0	0	110.8	Y413 A419 S420 Q421	Y413-E417 HydrophobicContact CE1-CB 4.48Å; Y413-E417 WeakPolarHBondContact CE1-OE2 3.44Å; Y413-E417 WeakPolarHBondContact O-CB 3.44Å; Y413-E417 PolarHBondContact O-N 3.09Å; Y413-E417 PolarHBondContact OH-OE1 3.23Å; E417-A419 PolarHBondContact O-N 3.32Å; E417-S420 WeakPolarHBondContact O-CB 3.35Å; E417-S420 PolarHBondContact O-N 3.13Å; E417-S420 VanDerWaalsContact O-N 3.16Å; E417-Q421 PolarHBondContact O-N 3.09Å
418	Q	96.1	Very high	95.2	Very high	122 Å²	122	78.3 Å²	78.3	57%	0.57	36%	0.364	S	S	*	.	H	α-helix	trans	-57.2	-46	173.1	-75.9	169	-2.9	0	0	113.2	L414 S420 Q421 E422	L414-Q418 WeakPolarHBondContact O-CB 3.38Å; L414-Q418 WeakPolarHBondContact O-CG 3.45Å; L414-Q418 PolarHBondContact O-N 3.24Å; Q418-S420 VanDerWaalsContact C-N 3.3Å; Q418-S420 PolarHBondContact O-N 3.43Å; Q418-Q421 PolarHBondContact O-N 3.1Å; Q418-E422 WeakPolarHBondContact O-CB 3.41Å; Q418-E422 PolarHBondContact O-N 3.28Å
419	A	96.4	Very high	95.4	Very high	3 Å²	3	78.6 Å²	78.6	3%	0.025	36%	0.358	C	S	.	.	H	α-helix	trans	-66.9	-32.4	177.6	0	0	0	0	0	112.3	V375 R378 R415 W416 E417 H423	V375-A419 HydrophobicContact CG2-CB 4.37Å; V375-A419 VanDerWaalsContact CG2-O 3.31Å; V375-A419 WeakPolarHBondContact CG2-O 3.46Å; R378-A419 HydrophobicContact CB-CB 4.38Å; R378-A419 HydrophobicContact CG-CB 3.76Å; R415-A419 WeakPolarHBondContact O-CB 3.34Å; R415-A419 PolarHBondContact O-N 2.75Å; W416-A419 PolarHBondContact O-N 2.94Å; E417-A419 PolarHBondContact O-N 3.32Å; A419-H423 WeakPolarHBondContact O-CB 3.15Å; A419-H423 PolarHBondContact O-N 2.9Å
420	S	95.8	Very high	95.6	Very high	34 Å²	34	77.4 Å²	77.4	24%	0.238	35%	0.353	C	S	.	.	H	α-helix	trans	-70.9	-38.5	175.9	-55.9	0	0	0	0	111.6	W416 E417 Q418 H423 W424	W416-S420 WeakPolarHBondContact O-CB 3.48Å; W416-S420 PolarHBondContact O-N 3.47Å; W416-S420 PolarHBondContact O-OG 3.48Å; E417-S420 WeakPolarHBondContact O-CB 3.35Å; E417-S420 PolarHBondContact O-N 3.13Å; E417-S420 VanDerWaalsContact O-N 3.16Å; Q418-S420 VanDerWaalsContact C-N 3.3Å; Q418-S420 PolarHBondContact O-N 3.43Å; S420-H423 PolarHBondContact O-N 3.47Å; S420-W424 WeakPolarHBondContact O-CB 3.08Å; S420-W424 PolarHBondContact O-N 3.29Å
421	Q	96.4	Very high	95.7	Very high	122 Å²	122	76.4 Å²	76.4	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-66.4	-42.1	172.7	-168.1	179.3	26.3	0	0	112.1	E417 Q418 H423 W424 L425	E417-Q421 PolarHBondContact O-N 3.09Å; Q418-Q421 PolarHBondContact O-N 3.1Å; Q421-H423 VanDerWaalsContact C-N 3.33Å; Q421-H423 PolarHBondContact O-N 2.93Å; Q421-W424 PolarHBondContact O-N 3.41Å; Q421-L425 HydrophobicContact CG-CD1 4.39Å; Q421-L425 WeakPolarHBondContact O-CG 3.24Å; Q421-L425 PolarHBondContact O-N 3.1Å
422	E	95.2	Very high	95.8	Very high	89 Å²	89	78.2 Å²	78.2	42%	0.416	36%	0.356	S	S	.	.	H	α-helix	trans	-56.8	-46	171.8	177.2	-174.4	-143.1	0	0	111.3	A371 N374 Q418 L426	A371-E422 HydrophobicContact CB-CG 4.3Å; N374-E422 PolarHBondContact ND2-OE2 2.94Å; Q418-E422 WeakPolarHBondContact O-CB 3.41Å; Q418-E422 PolarHBondContact O-N 3.28Å; E422-L426 HydrophobicContact CG-CD1 4.18Å; E422-L426 WeakPolarHBondContact O-CG 3.34Å; E422-L426 PolarHBondContact O-N 3.33Å; E422-L426 VanDerWaalsContact O-N 3.12Å
423	H	96.1	Very high	95.8	Very high	36 Å²	36	79.4 Å²	79.4	17%	0.167	36%	0.359	C	S	.	.	H	α-helix	trans	-62.4	-47	177.6	-175.5	55.8	0	0	0	112.3	L368 A371 V375 A419 S420 Q421 L426 Q427	L368-H423 VanDerWaalsContact CD1-CE1 3.43Å; L368-H423 WeakPolarHBondContact CD1-CE1 3.1Å; L368-H423 VanDerWaalsContact CD1-ND1 3.3Å; L368-H423 WeakPolarHBondContact CD1-ND1 3.47Å; A371-H423 HydrophobicContact CB-CB 4.23Å; V375-H423 HydrophobicContact CG2-CB 3.6Å; A419-H423 WeakPolarHBondContact O-CB 3.15Å; A419-H423 PolarHBondContact O-N 2.9Å; S420-H423 PolarHBondContact O-N 3.47Å; Q421-H423 VanDerWaalsContact C-N 3.33Å; Q421-H423 PolarHBondContact O-N 2.93Å; H423-L426 PolarHBondContact O-N 3.24Å; H423-Q427 WeakPolarHBondContact O-CG 3.29Å; H423-Q427 PolarHBondContact O-N 3.3Å
424	W	96.3	Very high	95.8	Very high	138 Å²	138	80.1 Å²	80.1	52%	0.523	36%	0.362	S	S	.	.	H	α-helix	trans	-61.8	-44.5	179.1	179.6	83.1	0	0	0	112.8	S420 Q421 L426 Q427 Q428	S420-W424 WeakPolarHBondContact O-CB 3.08Å; S420-W424 PolarHBondContact O-N 3.29Å; Q421-W424 PolarHBondContact O-N 3.41Å; W424-L426 VanDerWaalsContact C-N 3.29Å; W424-L426 PolarHBondContact O-N 2.88Å; W424-Q427 WeakPolarHBondContact O-CB 3.33Å; W424-Q427 PolarHBondContact O-N 3.3Å; W424-Q427 VanDerWaalsContact O-N 3.11Å; W424-Q428 VanDerWaalsContact CZ2-NE2 3.26Å; W424-Q428 PolarHBondContact O-N 2.92Å; W424-Q428 VanDerWaalsContact O-N 3.12Å
425	L	96.8	Very high	95.7	Very high	90 Å²	90	81.9 Å²	81.9	47%	0.471	37%	0.368	S	S	.	.	H	α-helix	trans	-60.7	-38	174.5	-72.1	170.3	0	0	0	112.1	Q421 Q428 R429	Q421-L425 HydrophobicContact CG-CD1 4.39Å; Q421-L425 WeakPolarHBondContact O-CG 3.24Å; Q421-L425 PolarHBondContact O-N 3.1Å; L425-Q428 PolarHBondContact O-N 2.91Å; L425-R429 WeakPolarHBondContact O-CB 3.39Å; L425-R429 PolarHBondContact O-N 3.49Å
426	L	96.2	Very high	95.6	Very high	20 Å²	20	80.4 Å²	80.4	11%	0.105	37%	0.366	C	S	.	.	H	α-helix	trans	-72.8	-24.2	175.8	-75.8	166.5	0	0	0	113.4	V364 E367 L368 A371 E422 H423 W424 L430	V364-L426 HydrophobicContact CG1-CD2 4.35Å; E367-L426 HydrophobicContact CB-CD1 4.27Å; E367-L426 HydrophobicContact CB-CD2 3.87Å; L368-L426 HydrophobicContact CB-CB 4.28Å; L368-L426 HydrophobicContact CD1-CB 3.78Å; A371-L426 HydrophobicContact CB-CD1 3.57Å; E422-L426 HydrophobicContact CG-CD1 4.18Å; E422-L426 WeakPolarHBondContact O-CG 3.34Å; E422-L426 PolarHBondContact O-N 3.33Å; E422-L426 VanDerWaalsContact O-N 3.12Å; H423-L426 PolarHBondContact O-N 3.24Å; W424-L426 VanDerWaalsContact C-N 3.29Å; W424-L426 PolarHBondContact O-N 2.88Å; L426-L430 WeakPolarHBondContact O-CB 3.08Å; L426-L430 PolarHBondContact O-N 3.39Å; L426-L430 VanDerWaalsContact O-N 3.16Å
427	Q	95.7	Very high	95.5	Very high	97 Å²	97	79 Å²	79	45%	0.453	36%	0.363	S	S	.	.	H	α-helix	trans	-69	-47.9	170	-68.1	177.1	-77.2	0	0	110.5	L368 H423 W424 R429 L430 E431	L368-Q427 HydrophobicContact CD1-CG 3.62Å; L368-Q427 HydrophobicContact CD2-CG 4.26Å; H423-Q427 WeakPolarHBondContact O-CG 3.29Å; H423-Q427 PolarHBondContact O-N 3.3Å; W424-Q427 WeakPolarHBondContact O-CB 3.33Å; W424-Q427 PolarHBondContact O-N 3.3Å; W424-Q427 VanDerWaalsContact O-N 3.11Å; Q427-R429 PolarHBondContact O-N 3.42Å; Q427-L430 PolarHBondContact O-N 3.19Å; Q427-E431 PolarHBondContact O-N 3.23Å; Q427-E431 VanDerWaalsContact O-N 3.09Å
428	Q	95.7	Very high	95.4	Very high	89 Å²	89	77.5 Å²	77.5	42%	0.416	36%	0.364	S	S	.	.	H	α-helix	trans	-59.4	-47.9	176.8	-66.8	-172.6	-42.7	0	0	111.8	W424 L425 L430 E431 E432	W424-Q428 VanDerWaalsContact CZ2-NE2 3.26Å; W424-Q428 PolarHBondContact O-N 2.92Å; W424-Q428 VanDerWaalsContact O-N 3.12Å; L425-Q428 PolarHBondContact O-N 2.91Å; Q428-L430 PolarHBondContact O-N 2.68Å; Q428-E431 WeakPolarHBondContact O-CB 3.06Å; Q428-E431 PolarHBondContact O-N 3.43Å; Q428-E431 VanDerWaalsContact O-N 3.15Å; Q428-E432 WeakPolarHBondContact O-CG 3.33Å; Q428-E432 PolarHBondContact O-N 3.09Å
429	R	96.1	Very high	95.3	Very high	108 Å²	108	75.6 Å²	75.6	41%	0.408	37%	0.365	S	S	.	.	H	α-helix	trans	-64	-26.6	178.4	-171.2	176.3	172.2	-130.5	-3.1	113.7	V364 E367 L425 Q427 K433	V364-R429 HydrophobicContact CG1-CB 4.32Å; V364-R429 HydrophobicContact CG1-CG 4.2Å; V364-R429 HydrophobicContact CG2-CG 4.41Å; E367-R429 IonicContact OE2-CZ 3.2Å; E367-R429 IonicContact OE2-NH1 3.22Å; E367-R429 PolarHBondContact OE2-NH1 2.98Å; L425-R429 WeakPolarHBondContact O-CB 3.39Å; L425-R429 PolarHBondContact O-N 3.49Å; Q427-R429 PolarHBondContact O-N 3.42Å; R429-K433 WeakPolarHBondContact O-CG 3.33Å; R429-K433 PolarHBondContact O-N 3.49Å
430	L	95.3	Very high	95.2	Very high	20 Å²	20	76.8 Å²	76.8	11%	0.105	37%	0.371	C	S	.	.	H	α-helix	trans	-74.8	-41.2	174	-176.3	58.5	0	0	0	111.1	V361 V364 A365 L368 L426 Q427 Q428 K433 Y434	V361-L430 HydrophobicContact CG1-CD1 4.18Å; V364-L430 HydrophobicContact CB-CD1 4.22Å; V364-L430 HydrophobicContact CG1-CB 3.91Å; V364-L430 HydrophobicContact CG1-CD1 4.22Å; A365-L430 HydrophobicContact CB-CD1 4.17Å; A365-L430 HydrophobicContact CB-CD2 4.47Å; L368-L430 HydrophobicContact CD2-CD2 3.47Å; L368-L430 VanDerWaalsContact CD2-CD2 3.47Å; L426-L430 WeakPolarHBondContact O-CB 3.08Å; L426-L430 PolarHBondContact O-N 3.39Å; L426-L430 VanDerWaalsContact O-N 3.16Å; Q427-L430 PolarHBondContact O-N 3.19Å; Q428-L430 PolarHBondContact O-N 2.68Å; L430-K433 PolarHBondContact O-N 3.13Å; L430-Y434 HydrophobicContact CD1-CD2 4.08Å; L430-Y434 HydrophobicContact CD1-CE2 3.69Å; L430-Y434 HydrophobicContact CD2-CE2 4.03Å; L430-Y434 HydrophobicContact CG-CD2 3.88Å; L430-Y434 HydrophobicContact CG-CE2 3.61Å; L430-Y434 VanDerWaalsContact O-CD2 3.31Å; L430-Y434 WeakPolarHBondContact O-CD2 3.27Å; L430-Y434 PolarHBondContact O-N 3.36Å
431	E	94.6	Very high	95.2	Very high	103 Å²	103	76.4 Å²	76.4	48%	0.481	37%	0.366	S	S	.	.	H	α-helix	trans	-61.8	-48.2	175	-179.9	54	-146.3	0	0	111.5	Q427 Q428 K433 Y434 Q435	Q427-E431 PolarHBondContact O-N 3.23Å; Q427-E431 VanDerWaalsContact O-N 3.09Å; Q428-E431 WeakPolarHBondContact O-CB 3.06Å; Q428-E431 PolarHBondContact O-N 3.43Å; Q428-E431 VanDerWaalsContact O-N 3.15Å; E431-K433 PolarHBondContact O-N 3.46Å; E431-Y434 PolarHBondContact O-N 3.33Å; E431-Y434 VanDerWaalsContact O-N 3.08Å; E431-Q435 WeakPolarHBondContact O-CG 3.29Å; E431-Q435 PolarHBondContact O-N 2.92Å; E431-Q435 PolarHBondContact OE1-NE2 2.94Å
432	E	96.1	Very high	95.1	Very high	124 Å²	124	73 Å²	73	58%	0.579	35%	0.354	S	S	*	.	H	α-helix	trans	-50.9	-43.1	171.9	-71.2	174	168.2	0	0	112.2	Q428 Q435 E436	Q428-E432 WeakPolarHBondContact O-CG 3.33Å; Q428-E432 PolarHBondContact O-N 3.09Å; E432-Q435 PolarHBondContact O-N 2.94Å; E432-E436 PolarHBondContact O-N 3.22Å
433	K	95.3	Very high	95.1	Very high	39 Å²	39	74.7 Å²	74.7	17%	0.17	36%	0.359	C	S	.	.	H	α-helix	trans	-74.1	-30.9	-179.8	-76.8	-74.5	165.5	-170.1	0	113.4	E360 V361 V364 R429 L430 E431 E436 M437	E360-K433 HydrophobicContact CB-CD 4.23Å; E360-K433 IonicContact OE2-NZ 3.18Å; E360-K433 PolarHBondContact OE2-NZ 3.09Å; V361-K433 HydrophobicContact CG2-CB 3.99Å; V364-K433 HydrophobicContact CG2-CG 4.41Å; R429-K433 WeakPolarHBondContact O-CG 3.33Å; R429-K433 PolarHBondContact O-N 3.49Å; L430-K433 PolarHBondContact O-N 3.13Å; E431-K433 PolarHBondContact O-N 3.46Å; K433-E436 WeakPolarHBondContact CD-OE2 3.48Å; K433-E436 WeakPolarHBondContact CE-OE2 2.86Å; K433-E436 IonicContact NZ-OE1 2.7Å; K433-E436 IonicContact NZ-OE2 3.62Å; K433-E436 PolarHBondContact NZ-OE2 3.36Å; K433-M437 VanDerWaalsContact O-CB 3.31Å; K433-M437 WeakPolarHBondContact O-CB 3.34Å; K433-M437 PolarHBondContact O-N 3.13Å
434	Y	93.8	Very high	95.1	Very high	101 Å²	101	73.2 Å²	73.2	40%	0.396	35%	0.352	S	S	.	.	H	α-helix	trans	-67.9	-38.3	169.6	-83	-61.1	0	0	0	112	V361 L430 E431 M437 A438	V361-Y434 HydrophobicContact CG1-CD1 4.1Å; V361-Y434 HydrophobicContact CG1-CE1 3.61Å; V361-Y434 HydrophobicContact CG1-CE2 4.34Å; L430-Y434 HydrophobicContact CD1-CD2 4.08Å; L430-Y434 HydrophobicContact CD1-CE2 3.69Å; L430-Y434 HydrophobicContact CD2-CE2 4.03Å; L430-Y434 HydrophobicContact CG-CD2 3.88Å; L430-Y434 HydrophobicContact CG-CE2 3.61Å; L430-Y434 VanDerWaalsContact O-CD2 3.31Å; L430-Y434 WeakPolarHBondContact O-CD2 3.27Å; L430-Y434 PolarHBondContact O-N 3.36Å; E431-Y434 PolarHBondContact O-N 3.33Å; E431-Y434 VanDerWaalsContact O-N 3.08Å; Y434-M437 PolarHBondContact O-N 2.85Å; Y434-A438 PolarHBondContact O-N 2.86Å
435	Q	94.1	Very high	95	Very high	116 Å²	116	66.8 Å²	66.8	54%	0.542	33%	0.329	S	S	.	.	H	α-helix	trans	-66.6	-42.5	175.6	-66.1	177.1	15.9	0	0	112	E431 E432 M437 A438 S439	E431-Q435 WeakPolarHBondContact O-CG 3.29Å; E431-Q435 PolarHBondContact O-N 2.92Å; E431-Q435 PolarHBondContact OE1-NE2 2.94Å; E432-Q435 PolarHBondContact O-N 2.94Å; Q435-M437 VanDerWaalsContact C-N 3.31Å; Q435-M437 PolarHBondContact O-N 2.7Å; Q435-A438 PolarHBondContact O-N 2.98Å; Q435-S439 PolarHBondContact O-N 2.95Å
436	E	94.4	Very high	94.8	Very high	84 Å²	84	66.6 Å²	66.6	39%	0.393	33%	0.325	S	S	.	.	H	α-helix	trans	-60.3	-40.2	171.4	-172.4	-178.3	174.3	0	0	111.7	E432 K433 T440	E432-E436 PolarHBondContact O-N 3.22Å; K433-E436 WeakPolarHBondContact CD-OE2 3.48Å; K433-E436 WeakPolarHBondContact CE-OE2 2.86Å; K433-E436 IonicContact NZ-OE1 2.7Å; K433-E436 IonicContact NZ-OE2 3.62Å; K433-E436 PolarHBondContact NZ-OE2 3.36Å; E436-T440 VanDerWaalsContact O-CB 3.27Å; E436-T440 WeakPolarHBondContact O-CB 3.3Å; E436-T440 PolarHBondContact O-N 2.98Å; E436-T440 PolarHBondContact O-OG1 2.95Å
437	M	94	Very high	94.8	Very high	41 Å²	41	69.9 Å²	69.9	20%	0.202	34%	0.34	C	S	.	.	H	α-helix	trans	-65.7	-41.5	176.3	-175.3	176.8	172.1	0	0	112.5	W354 C357 V358 V361 K433 Y434 Q435 T440 K441	W354-M437 HydrophobicContact CH2-CE 3.38Å; W354-M437 HydrophobicContact CH2-CG 4.04Å; W354-M437 HydrophobicContact CZ2-CE 3.66Å; W354-M437 HydrophobicContact CZ3-CE 4.1Å; W354-M437 HydrophobicContact CZ3-CG 3.93Å; C357-M437 VanDerWaalsContact SG-CA 3.51Å; V358-M437 HydrophobicContact CG2-CE 3.84Å; V361-M437 HydrophobicContact CB-SD 4.45Å; V361-M437 HydrophobicContact CG2-CB 4.15Å; V361-M437 HydrophobicContact CG2-SD 3.88Å; K433-M437 VanDerWaalsContact O-CB 3.31Å; K433-M437 WeakPolarHBondContact O-CB 3.34Å; K433-M437 PolarHBondContact O-N 3.13Å; Y434-M437 PolarHBondContact O-N 2.85Å; Q435-M437 VanDerWaalsContact C-N 3.31Å; Q435-M437 PolarHBondContact O-N 2.7Å; M437-T440 PolarHBondContact O-N 3.37Å; M437-K441 VanDerWaalsContact O-CB 3.3Å; M437-K441 WeakPolarHBondContact O-CB 3.49Å; M437-K441 PolarHBondContact O-N 3.01Å
438	A	92.7	Very high	94.8	Very high	51 Å²	51	65.5 Å²	65.5	42%	0.421	32%	0.32	S	S	.	.	H	α-helix	trans	-66	-40.5	177	0	0	0	0	0	112.6	Y434 Q435 K441 T442	Y434-A438 PolarHBondContact O-N 2.86Å; Q435-A438 PolarHBondContact O-N 2.98Å; A438-K441 PolarHBondContact O-N 3.39Å; A438-T442 PolarHBondContact O-N 3.27Å; A438-T442 VanDerWaalsContact O-N 3.13Å; A438-T442 PolarHBondContact O-OG1 3.33Å
439	S	94.3	Very high	94.7	Very high	83 Å²	83	65 Å²	65	58%	0.58	31%	0.314	S	S	*	.	H	α-helix	trans	-62.6	-46.4	172.5	-171.3	0	0	0	0	111.4	Q435 K441 T442 K443	Q435-S439 PolarHBondContact O-N 2.95Å; S439-K441 PolarHBondContact O-N 3.41Å; S439-T442 PolarHBondContact O-N 2.98Å; S439-K443 PolarHBondContact O-N 3.14Å; S439-K443 VanDerWaalsContact O-N 3.08Å
440	T	95	Very high	94.5	Very high	27 Å²	27	63.7 Å²	63.7	17%	0.166	31%	0.313	C	S	.	.	H	α-helix	trans	-62.3	-41.7	177	-60.4	0	0	0	0	112.1	T353 W354 C357 E436 M437 K443 I444	T353-T440 HydrophobicContact CG2-CG2 4.12Å; W354-T440 HydrophobicContact CE3-CG2 4.41Å; C357-T440 HydrophobicContact CB-CG2 4.31Å; E436-T440 VanDerWaalsContact O-CB 3.27Å; E436-T440 WeakPolarHBondContact O-CB 3.3Å; E436-T440 PolarHBondContact O-N 2.98Å; E436-T440 PolarHBondContact O-OG1 2.95Å; M437-T440 PolarHBondContact O-N 3.37Å; T440-K443 PolarHBondContact O-N 3.23Å; T440-I444 HydrophobicContact CG2-CD1 3.69Å; T440-I444 HydrophobicContact CG2-CG1 4.31Å; T440-I444 WeakPolarHBondContact O-CB 3.4Å; T440-I444 VanDerWaalsContact O-CG1 3.3Å; T440-I444 WeakPolarHBondContact O-CG1 3.42Å; T440-I444 PolarHBondContact O-N 3.34Å
441	K	95.7	Very high	94.5	Very high	26 Å²	26	63 Å²	63	11%	0.113	31%	0.309	C	S	.	.	H	α-helix	trans	-56.4	-54.4	176.1	-167.8	-176.8	-176.4	-175.2	0	110.7	N242 L244 V248 W354 M437 A438 S439 K443 I444 L445	N242-K441 WeakPolarHBondContact O-CE 3.36Å; N242-K441 PolarHBondContact O-NZ 3.35Å; N242-K441 WeakPolarHBondContact OD1-CD 3.45Å; N242-K441 WeakPolarHBondContact OD1-CG 3.25Å; L244-K441 WeakPolarHBondContact O-CE 3.29Å; L244-K441 PolarHBondContact O-NZ 3.39Å; V248-K441 HydrophobicContact CG2-CB 4.48Å; V248-K441 HydrophobicContact CG2-CG 3.66Å; W354-K441 HydrophobicContact CH2-CB 3.86Å; W354-K441 HydrophobicContact CH2-CD 4.16Å; W354-K441 HydrophobicContact CH2-CG 3.78Å; W354-K441 HydrophobicContact CZ3-CB 3.69Å; W354-K441 HydrophobicContact CZ3-CG 4.07Å; M437-K441 VanDerWaalsContact O-CB 3.3Å; M437-K441 WeakPolarHBondContact O-CB 3.49Å; M437-K441 PolarHBondContact O-N 3.01Å; A438-K441 PolarHBondContact O-N 3.39Å; S439-K441 PolarHBondContact O-N 3.41Å; K441-K443 PolarHBondContact O-N 3.34Å; K441-I444 PolarHBondContact O-N 3.3Å; K441-L445 HydrophobicContact CG-CD1 4.38Å; K441-L445 WeakPolarHBondContact O-CG 3.38Å; K441-L445 PolarHBondContact O-N 3.32Å
442	T	93.8	Very high	94.5	Very high	52 Å²	52	59.4 Å²	59.4	32%	0.319	29%	0.293	S	S	.	.	H	α-helix	trans	-56.7	-47.8	-179.9	-52.4	0	0	0	0	111.4	N242 A438 S439 L445 Q446	N242-T442 PolarHBondContact ND2-OG1 2.79Å; N242-T442 PolarHBondContact OD1-OG1 2.65Å; A438-T442 PolarHBondContact O-N 3.27Å; A438-T442 VanDerWaalsContact O-N 3.13Å; A438-T442 PolarHBondContact O-OG1 3.33Å; S439-T442 PolarHBondContact O-N 2.98Å; T442-L445 PolarHBondContact O-N 3.46Å; T442-Q446 WeakPolarHBondContact O-CG 3.48Å; T442-Q446 PolarHBondContact O-N 3.23Å
443	K	94.7	Very high	94.3	Very high	124 Å²	124	59.8 Å²	59.8	54%	0.539	29%	0.29	S	S	.	.	H	α-helix	trans	-63.9	-43	178.9	178.9	173	173.4	174.7	0	112.9	S439 T440 K441 L445 Q446 E447	S439-K443 PolarHBondContact O-N 3.14Å; S439-K443 VanDerWaalsContact O-N 3.08Å; T440-K443 PolarHBondContact O-N 3.23Å; K441-K443 PolarHBondContact O-N 3.34Å; K443-L445 VanDerWaalsContact C-N 3.34Å; K443-L445 PolarHBondContact O-N 2.97Å; K443-Q446 PolarHBondContact O-N 3.42Å; K443-E447 WeakPolarHBondContact CE-OE1 3.49Å; K443-E447 IonicContact NZ-OE1 3.69Å; K443-E447 PolarHBondContact O-N 3.49Å
444	I	95.9	Very high	94.2	Very high	4 Å²	4	60 Å²	60	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-65.6	-38.5	179.4	-71.1	175.9	0	0	0	111	V248 L350 T353 W354 T440 K441 E447 V448	V248-I444 HydrophobicContact CG1-CG2 3.76Å; V248-I444 HydrophobicContact CG2-CG2 4.39Å; L350-I444 HydrophobicContact CB-CG2 4.37Å; L350-I444 HydrophobicContact CD2-CB 4.48Å; L350-I444 HydrophobicContact CD2-CG1 4.04Å; L350-I444 HydrophobicContact CD2-CG2 4.34Å; T353-I444 HydrophobicContact CG2-CD1 4.18Å; W354-I444 HydrophobicContact CB-CD1 3.85Å; W354-I444 HydrophobicContact CE3-CD1 4.24Å; T440-I444 HydrophobicContact CG2-CD1 3.69Å; T440-I444 HydrophobicContact CG2-CG1 4.31Å; T440-I444 WeakPolarHBondContact O-CB 3.4Å; T440-I444 VanDerWaalsContact O-CG1 3.3Å; T440-I444 WeakPolarHBondContact O-CG1 3.42Å; T440-I444 PolarHBondContact O-N 3.34Å; K441-I444 PolarHBondContact O-N 3.3Å; I444-E447 PolarHBondContact O-N 2.83Å; I444-V448 HydrophobicContact CG2-CG2 4.33Å; I444-V448 VanDerWaalsContact O-CG2 3.3Å; I444-V448 WeakPolarHBondContact O-CG2 3.2Å; I444-V448 PolarHBondContact O-N 2.86Å
445	L	95.5	Very high	94.2	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-47.9	175.6	-69	172.7	0	0	0	111.6	L241 N242 V248 A251 K441 T442 K443 E447 V448 R449	L241-L445 HydrophobicContact CB-CD1 3.81Å; L241-L445 HydrophobicContact CB-CD2 3.75Å; L241-L445 HydrophobicContact CB-CG 4.37Å; L241-L445 HydrophobicContact CD1-CD2 4.2Å; N242-L445 HydrophobicContact CB-CD1 3.87Å; V248-L445 HydrophobicContact CG2-CD2 4.08Å; V248-L445 HydrophobicContact CG2-CG 4.13Å; A251-L445 HydrophobicContact CB-CD2 3.79Å; K441-L445 HydrophobicContact CG-CD1 4.38Å; K441-L445 WeakPolarHBondContact O-CG 3.38Å; K441-L445 PolarHBondContact O-N 3.32Å; T442-L445 PolarHBondContact O-N 3.46Å; K443-L445 VanDerWaalsContact C-N 3.34Å; K443-L445 PolarHBondContact O-N 2.97Å; L445-E447 PolarHBondContact O-N 2.94Å; L445-V448 PolarHBondContact O-N 3Å; L445-R449 PolarHBondContact O-N 2.93Å
446	Q	92.6	Very high	94.2	Very high	85 Å²	85	53.1 Å²	53.1	40%	0.397	27%	0.265	S	S	.	.	H	α-helix	trans	-58.7	-47.2	175.5	-71.2	171.1	-10.9	0	0	112.4	D238 T442 K443 V448 R449 E450	D238-Q446 WeakPolarHBondContact OD2-CG 3.17Å; T442-Q446 WeakPolarHBondContact O-CG 3.48Å; T442-Q446 PolarHBondContact O-N 3.23Å; K443-Q446 PolarHBondContact O-N 3.42Å; Q446-V448 VanDerWaalsContact C-N 3.33Å; Q446-V448 PolarHBondContact O-N 3.22Å; Q446-R449 PolarHBondContact O-N 3.47Å; Q446-E450 PolarHBondContact O-N 3.27Å
447	E	95.3	Very high	94.1	Very high	90 Å²	90	53.8 Å²	53.8	42%	0.421	27%	0.268	S	S	.	.	H	α-helix	trans	-65.6	-32.5	177.8	-74.9	-169.7	-132.5	0	0	112.8	L350 K443 I444 L445 L451	L350-E447 HydrophobicContact CD1-CB 4.11Å; L350-E447 HydrophobicContact CD2-CB 3.84Å; L350-E447 HydrophobicContact CD2-CG 4.49Å; K443-E447 WeakPolarHBondContact CE-OE1 3.49Å; K443-E447 IonicContact NZ-OE1 3.69Å; K443-E447 PolarHBondContact O-N 3.49Å; I444-E447 PolarHBondContact O-N 2.83Å; L445-E447 PolarHBondContact O-N 2.94Å; E447-L451 VanDerWaalsContact O-CB 3.25Å; E447-L451 WeakPolarHBondContact O-CB 3.35Å; E447-L451 PolarHBondContact O-N 3.13Å; E447-L451 VanDerWaalsContact O-N 3.09Å
448	V	95.7	Very high	94.1	Very high	4 Å²	4	53 Å²	53	2%	0.024	27%	0.266	C	S	.	.	H	α-helix	trans	-72.4	-41.5	172.8	175.7	0	0	0	0	111.7	A251 L252 A255 L350 I444 L445 Q446 L451 I452	A251-V448 HydrophobicContact CB-CB 4.21Å; A251-V448 HydrophobicContact CB-CG1 3.82Å; L252-V448 HydrophobicContact CD2-CG2 3.82Å; L252-V448 HydrophobicContact CG-CG2 4.46Å; A255-V448 HydrophobicContact CB-CG1 4.27Å; L350-V448 HydrophobicContact CD1-CG2 3.85Å; I444-V448 HydrophobicContact CG2-CG2 4.33Å; I444-V448 VanDerWaalsContact O-CG2 3.3Å; I444-V448 WeakPolarHBondContact O-CG2 3.2Å; I444-V448 PolarHBondContact O-N 2.86Å; L445-V448 PolarHBondContact O-N 3Å; Q446-V448 VanDerWaalsContact C-N 3.33Å; Q446-V448 PolarHBondContact O-N 3.22Å; V448-L451 WeakPolarHBondContact O-CB 3.43Å; V448-L451 PolarHBondContact O-N 2.92Å; V448-I452 HydrophobicContact CG1-CG1 4.33Å; V448-I452 WeakPolarHBondContact O-CG1 3.36Å; V448-I452 PolarHBondContact O-N 3.34Å
449	R	94.1	Very high	94.2	Very high	78 Å²	78	51.2 Å²	51.2	29%	0.294	25%	0.25	S	C	.	.	H	α-helix	trans	-61.3	-48.2	178	179.5	173	54.4	80.1	-9	111.4	T234 D238 L445 Q446 L451 I452 Y453	T234-R449 PolarHBondContact O-NE 2.88Å; D238-R449 WeakPolarHBondContact OD1-CD 3.2Å; D238-R449 IonicContact OD1-CZ 2.78Å; D238-R449 IonicContact OD1-NE 2.75Å; D238-R449 PolarHBondContact OD1-NE 3.48Å; D238-R449 IonicContact OD2-CZ 3.27Å; D238-R449 VanDerWaalsContact OD2-CZ 3.27Å; D238-R449 IonicContact OD2-NE 2.71Å; D238-R449 PolarHBondContact OD2-NE 3.38Å; D238-R449 IonicContact OD2-NH2 2.92Å; D238-R449 PolarHBondContact OD2-NH2 2.86Å; L445-R449 PolarHBondContact O-N 2.93Å; Q446-R449 PolarHBondContact O-N 3.47Å; R449-L451 VanDerWaalsContact C-N 3.3Å; R449-L451 PolarHBondContact O-N 3.34Å; R449-I452 PolarHBondContact O-N 2.77Å; R449-Y453 PolarHBondContact O-N 2.99Å
450	E	92.5	Very high	94.1	Very high	81 Å²	81	55.1 Å²	55.1	38%	0.379	26%	0.256	S	S	.	.	H	α-helix	trans	-63.1	-37.4	175.7	177.6	54.6	-157.2	0	0	111.6	Q446 Y453 Q454	Q446-E450 PolarHBondContact O-N 3.27Å; E450-Y453 PolarHBondContact O-N 3.37Å; E450-Q454 WeakPolarHBondContact O-CB 3.44Å; E450-Q454 VanDerWaalsContact O-CG 3.3Å; E450-Q454 WeakPolarHBondContact O-CG 3.38Å; E450-Q454 PolarHBondContact O-N 3.5Å; E450-Q454 WeakPolarHBondContact OE1-CG 3.47Å; E450-Q454 PolarHBondContact OE1-NE2 2.89Å
451	L	94.8	Very high	93.6	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-62.8	-45.2	174.1	-179.4	56.5	0	0	0	112.6	A343 K346 E447 V448 R449 Y453 Q454 C455	A343-L451 HydrophobicContact CB-CD1 3.97Å; A343-L451 HydrophobicContact CB-CD2 4.36Å; A343-L451 HydrophobicContact CB-CG 4.36Å; K346-L451 HydrophobicContact CB-CD1 4.41Å; K346-L451 HydrophobicContact CB-CD2 3.69Å; K346-L451 HydrophobicContact CD-CD1 3.6Å; K346-L451 HydrophobicContact CD-CD2 4.36Å; E447-L451 VanDerWaalsContact O-CB 3.25Å; E447-L451 WeakPolarHBondContact O-CB 3.35Å; E447-L451 PolarHBondContact O-N 3.13Å; E447-L451 VanDerWaalsContact O-N 3.09Å; V448-L451 WeakPolarHBondContact O-CB 3.43Å; V448-L451 PolarHBondContact O-N 2.92Å; R449-L451 VanDerWaalsContact C-N 3.3Å; R449-L451 PolarHBondContact O-N 3.34Å; L451-Y453 VanDerWaalsContact C-N 3.33Å; L451-Q454 PolarHBondContact O-N 2.89Å; L451-C455 VanDerWaalsContact O-CB 3.3Å; L451-C455 WeakPolarHBondContact O-CB 3.41Å; L451-C455 PolarHBondContact O-N 2.81Å; L451-C455 PolarHBondContact O-SG 3.24Å
452	I	95.1	Very high	93.6	Very high	29 Å²	29	55.8 Å²	55.8	15%	0.149	27%	0.269	C	S	.	.	H	α-helix	trans	-61	-44.2	175.5	-67.8	-66.3	0	0	0	110.4	R254 A255 W258 V448 R449 Q454 C455 D456	R254-I452 HydrophobicContact CG-CD1 4.27Å; A255-I452 HydrophobicContact CB-CD1 4.08Å; W258-I452 HydrophobicContact CB-CD1 4.41Å; V448-I452 HydrophobicContact CG1-CG1 4.33Å; V448-I452 WeakPolarHBondContact O-CG1 3.36Å; V448-I452 PolarHBondContact O-N 3.34Å; R449-I452 PolarHBondContact O-N 2.77Å; I452-Q454 PolarHBondContact O-N 3.07Å; I452-C455 WeakPolarHBondContact O-CB 3.39Å; I452-C455 PolarHBondContact O-N 3.29Å; I452-C455 VanDerWaalsContact O-N 3.1Å; I452-D456 PolarHBondContact O-N 3.31Å
453	Y	91.9	Very high	93.7	Very high	132 Å²	132	55.5 Å²	55.5	52%	0.518	27%	0.267	S	S	.	.	H	α-helix	trans	-59.3	-47.2	177.7	-176.9	-108.5	0	0	0	112.4	R449 E450 L451 C455 D456 Q457	R449-Y453 PolarHBondContact O-N 2.99Å; E450-Y453 PolarHBondContact O-N 3.37Å; L451-Y453 VanDerWaalsContact C-N 3.33Å; Y453-C455 VanDerWaalsContact C-N 3.28Å; Y453-C455 PolarHBondContact O-N 3.39Å; Y453-D456 PolarHBondContact O-N 3.41Å; Y453-Q457 HydrophobicContact CE1-CG 4.31Å; Y453-Q457 VanDerWaalsContact CZ-NE2 3.26Å; Y453-Q457 WeakPolarHBondContact O-CB 3.13Å; Y453-Q457 WeakPolarHBondContact O-CG 3.44Å; Y453-Q457 PolarHBondContact O-N 3.25Å; Y453-Q457 PolarHBondContact OH-NE2 2.92Å; Y453-Q457 VanDerWaalsContact OH-NE2 3.12Å
454	Q	91.4	Very high	93.4	Very high	43 Å²	43	52.5 Å²	52.5	20%	0.201	27%	0.266	C	S	.	.	H	α-helix	trans	-60.6	-35.2	173.6	-72.8	175.6	10.6	0	0	112.9	R339 K346 E450 L451 I452 T458	R339-Q454 PolarHBondContact NH1-O 3.35Å; K346-Q454 VanDerWaalsContact NZ-OE1 3.07Å; E450-Q454 WeakPolarHBondContact O-CB 3.44Å; E450-Q454 VanDerWaalsContact O-CG 3.3Å; E450-Q454 WeakPolarHBondContact O-CG 3.38Å; E450-Q454 PolarHBondContact O-N 3.5Å; E450-Q454 WeakPolarHBondContact OE1-CG 3.47Å; E450-Q454 PolarHBondContact OE1-NE2 2.89Å; L451-Q454 PolarHBondContact O-N 2.89Å; I452-Q454 PolarHBondContact O-N 3.07Å; Q454-T458 PolarHBondContact O-N 2.8Å; Q454-T458 PolarHBondContact O-OG1 3.31Å
455	C	95.1	Very high	93.1	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.007	27%	0.274	C	S	.	.	H	α-helix	trans	-71.5	-44	178.8	-75.5	0	0	0	0	112.6	W258 A343 L451 I452 Y453 T458 T459	W258-C455 HydrophobicContact CD2-CB 3.84Å; W258-C455 VanDerWaalsContact CE2-CB 3.44Å; W258-C455 HydrophobicContact CE3-CB 4.19Å; W258-C455 HydrophobicContact CG-CB 4.47Å; W258-C455 HydrophobicContact CH2-CB 3.92Å; W258-C455 HydrophobicContact CZ2-CB 3.49Å; W258-C455 VanDerWaalsContact CZ2-CB 3.49Å; W258-C455 HydrophobicContact CZ3-CB 4.23Å; A343-C455 VanDerWaalsContact CB-SG 3.56Å; L451-C455 VanDerWaalsContact O-CB 3.3Å; L451-C455 WeakPolarHBondContact O-CB 3.41Å; L451-C455 PolarHBondContact O-N 2.81Å; L451-C455 PolarHBondContact O-SG 3.24Å; I452-C455 WeakPolarHBondContact O-CB 3.39Å; I452-C455 PolarHBondContact O-N 3.29Å; I452-C455 VanDerWaalsContact O-N 3.1Å; Y453-C455 VanDerWaalsContact C-N 3.28Å; Y453-C455 PolarHBondContact O-N 3.39Å; C455-T458 PolarHBondContact O-N 3.43Å; C455-T459 PolarHBondContact O-N 3.47Å; C455-T459 PolarHBondContact O-OG1 2.89Å
456	D	94.4	Very high	93.2	Very high	71 Å²	71	54.4 Å²	54.4	38%	0.38	28%	0.277	S	S	.	.	H	α-helix	trans	-71.1	-36.3	178.2	-71.9	-13.9	0	0	0	111.6	W258 I452 Y453 T458 T459 K460	W258-D456 PolarHBondContact NE1-OD1 3.13Å; I452-D456 PolarHBondContact O-N 3.31Å; Y453-D456 PolarHBondContact O-N 3.41Å; D456-T458 PolarHBondContact O-N 3.43Å; D456-T459 PolarHBondContact O-N 2.67Å; D456-K460 VanDerWaalsContact O-CB 3.27Å; D456-K460 WeakPolarHBondContact O-CB 3.22Å; D456-K460 PolarHBondContact O-N 3.1Å
457	Q	92.3	Very high	93.3	Very high	98 Å²	98	55.3 Å²	55.3	46%	0.458	28%	0.284	S	S	.	.	H	α-helix	trans	-55.7	-49	170	-80.6	-167.7	-5.5	0	0	112.2	Y453 K460 A461	Y453-Q457 HydrophobicContact CE1-CG 4.31Å; Y453-Q457 VanDerWaalsContact CZ-NE2 3.26Å; Y453-Q457 WeakPolarHBondContact O-CB 3.13Å; Y453-Q457 WeakPolarHBondContact O-CG 3.44Å; Y453-Q457 PolarHBondContact O-N 3.25Å; Y453-Q457 PolarHBondContact OH-NE2 2.92Å; Y453-Q457 VanDerWaalsContact OH-NE2 3.12Å; Q457-K460 PolarHBondContact O-N 2.98Å; Q457-A461 WeakPolarHBondContact O-CB 3.43Å; Q457-A461 PolarHBondContact O-N 3.16Å
458	T	92.6	Very high	93.2	Very high	25 Å²	25	56.3 Å²	56.3	15%	0.153	29%	0.289	C	S	.	.	H	α-helix	trans	-66	-42.4	178.8	-58.8	0	0	0	0	111.7	L336 R339 Q454 C455 D456 K460 A461 C462	L336-T458 HydrophobicContact CD1-CG2 4.42Å; R339-T458 HydrophobicContact CB-CG2 3.83Å; R339-T458 HydrophobicContact CG-CG2 4.01Å; R339-T458 PolarHBondContact NH1-OG1 2.96Å; Q454-T458 PolarHBondContact O-N 2.8Å; Q454-T458 PolarHBondContact O-OG1 3.31Å; C455-T458 PolarHBondContact O-N 3.43Å; D456-T458 PolarHBondContact O-N 3.43Å; T458-K460 PolarHBondContact O-N 2.99Å; T458-A461 PolarHBondContact O-N 3.41Å; T458-C462 WeakPolarHBondContact O-CB 3.04Å; T458-C462 PolarHBondContact O-N 3.26Å; T458-C462 PolarHBondContact O-SG 3.49Å
459	T	94.9	Very high	93	Very high	13 Å²	13	57.6 Å²	57.6	8%	0.08	30%	0.295	C	S	.	.	H	α-helix	trans	-59.4	-47.6	178	-52.5	0	0	0	0	110.6	Y261 L265 C455 D456 A461 C462 T463	Y261-T459 HydrophobicContact CE1-CG2 4.48Å; L265-T459 HydrophobicContact CD2-CG2 4.15Å; C455-T459 PolarHBondContact O-N 3.47Å; C455-T459 PolarHBondContact O-OG1 2.89Å; D456-T459 PolarHBondContact O-N 2.67Å; T459-A461 PolarHBondContact O-N 2.82Å; T459-C462 PolarHBondContact O-N 2.97Å; T459-T463 WeakPolarHBondContact O-CB 3.48Å; T459-T463 PolarHBondContact O-N 3.18Å; T459-T463 PolarHBondContact O-OG1 3.34Å; T459-T463 VanDerWaalsContact O-OG1 3.13Å
460	K	92.3	Very high	93	Very high	166 Å²	166	54.6 Å²	54.6	72%	0.722	28%	0.284	S	S	*	.	H	α-helix	trans	-58.4	-44.8	174.6	-179.6	177.4	-179.7	175.6	0	112.5	D456 Q457 T458 A464	D456-K460 VanDerWaalsContact O-CB 3.27Å; D456-K460 WeakPolarHBondContact O-CB 3.22Å; D456-K460 PolarHBondContact O-N 3.1Å; Q457-K460 PolarHBondContact O-N 2.98Å; T458-K460 PolarHBondContact O-N 2.99Å; K460-A464 VanDerWaalsContact O-CB 3.24Å; K460-A464 WeakPolarHBondContact O-CB 3.29Å; K460-A464 PolarHBondContact O-N 2.85Å
461	A	86	Confident	93.1	Very high	61 Å²	61	53.1 Å²	53.1	50%	0.504	29%	0.286	S	S	.	.	H	α-helix	trans	-65.9	-43.8	179.8	0	0	0	0	0	112.5	Q457 T458 T459 A465	Q457-A461 WeakPolarHBondContact O-CB 3.43Å; Q457-A461 PolarHBondContact O-N 3.16Å; T458-A461 PolarHBondContact O-N 3.41Å; T459-A461 PolarHBondContact O-N 2.82Å; A461-A465 WeakPolarHBondContact O-CB 3.29Å; A461-A465 PolarHBondContact O-N 3.34Å
462	C	94	Very high	93	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.034	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-49.3	177.5	-63.5	0	0	0	0	110.9	F332 T458 T459 A464 A465 Y466	F332-C462 HydrophobicContact CD2-CB 3.71Å; F332-C462 WeakPolarHBondContact CD2-O 3.38Å; F332-C462 HydrophobicContact CE2-CB 4.02Å; F332-C462 HydrophobicContact CG-CB 4.08Å; T458-C462 WeakPolarHBondContact O-CB 3.04Å; T458-C462 PolarHBondContact O-N 3.26Å; T458-C462 PolarHBondContact O-SG 3.49Å; T459-C462 PolarHBondContact O-N 2.97Å; C462-A464 PolarHBondContact O-N 2.98Å; C462-A465 PolarHBondContact O-N 2.91Å; C462-Y466 PolarHBondContact O-N 3.22Å
463	T	96.2	Very high	93	Very high	47 Å²	47	54.9 Å²	54.9	29%	0.288	30%	0.296	S	S	.	.	H	α-helix	trans	-63	-42	179.3	-60.3	0	0	0	0	112.4	T459 A465 Y466 L467	T459-T463 WeakPolarHBondContact O-CB 3.48Å; T459-T463 PolarHBondContact O-N 3.18Å; T459-T463 PolarHBondContact O-OG1 3.34Å; T459-T463 VanDerWaalsContact O-OG1 3.13Å; T463-A465 VanDerWaalsContact C-N 3.35Å; T463-A465 PolarHBondContact O-N 2.98Å; T463-Y466 PolarHBondContact O-N 3.06Å; T463-L467 HydrophobicContact CG2-CD1 4.05Å; T463-L467 HydrophobicContact CG2-CG 4.46Å; T463-L467 WeakPolarHBondContact O-CG 3.28Å; T463-L467 PolarHBondContact O-N 2.88Å
464	A	89	Confident	93.1	Very high	61 Å²	61	53.9 Å²	53.9	50%	0.504	29%	0.291	S	S	.	.	H	α-helix	trans	-63	-40.3	174.9	0	0	0	0	0	112.2	K460 C462 Q468	K460-A464 VanDerWaalsContact O-CB 3.24Å; K460-A464 WeakPolarHBondContact O-CB 3.29Å; K460-A464 PolarHBondContact O-N 2.85Å; C462-A464 PolarHBondContact O-N 2.98Å; A464-Q468 WeakPolarHBondContact O-CB 3.25Å; A464-Q468 PolarHBondContact O-N 3.47Å; A464-Q468 VanDerWaalsContact O-N 3.11Å
465	A	89.7	Confident	93.2	Very high	24 Å²	24	56.7 Å²	56.7	20%	0.198	31%	0.312	C	S	.	.	H	α-helix	trans	-64.6	-47.7	174.7	0	0	0	0	0	111.7	K331 A461 C462 T463 L467 Q468 E469	K331-A465 HydrophobicContact CB-CB 4.15Å; K331-A465 HydrophobicContact CD-CB 4.26Å; A461-A465 WeakPolarHBondContact O-CB 3.29Å; A461-A465 PolarHBondContact O-N 3.34Å; C462-A465 PolarHBondContact O-N 2.91Å; T463-A465 VanDerWaalsContact C-N 3.35Å; T463-A465 PolarHBondContact O-N 2.98Å; A465-L467 PolarHBondContact O-N 3.1Å; A465-Q468 PolarHBondContact O-N 2.9Å; A465-E469 WeakPolarHBondContact O-CG 3.45Å; A465-E469 PolarHBondContact O-N 3.33Å
466	Y	96.7	Very high	93.1	Very high	23 Å²	23	60.1 Å²	60.1	9%	0.09	33%	0.33	C	S	.	.	H	α-helix	trans	-57.3	-50.1	178.4	162.2	-98.6	0	0	0	112.5	I269 R272 L327 F332 C462 T463 Q468 E469 M470	I269-Y466 HydrophobicContact CD1-CD1 4.43Å; I269-Y466 HydrophobicContact CD1-CD2 4.46Å; I269-Y466 HydrophobicContact CD1-CE1 4.03Å; I269-Y466 HydrophobicContact CD1-CE2 4.06Å; I269-Y466 HydrophobicContact CG2-CD2 4.45Å; I269-Y466 HydrophobicContact CG2-CE2 4.49Å; R272-Y466 WeakPolarHBondContact CD-OH 3.2Å; L327-Y466 HydrophobicContact CD1-CD2 3.93Å; L327-Y466 HydrophobicContact CD1-CE2 4.3Å; L327-Y466 HydrophobicContact CD2-CD2 3.98Å; F332-Y466 HydrophobicContact CD2-CG 4.27Å; C462-Y466 PolarHBondContact O-N 3.22Å; T463-Y466 PolarHBondContact O-N 3.06Å; Y466-Q468 VanDerWaalsContact C-N 3.28Å; Y466-Q468 PolarHBondContact O-N 3.34Å; Y466-E469 PolarHBondContact O-N 2.96Å; Y466-M470 HydrophobicContact CD2-CG 4.03Å; Y466-M470 HydrophobicContact CE1-CG 4.46Å; Y466-M470 HydrophobicContact CE2-CG 3.64Å; Y466-M470 HydrophobicContact CE2-SD 4.1Å; Y466-M470 VanDerWaalsContact O-CG 3.29Å; Y466-M470 WeakPolarHBondContact O-CG 3.38Å; Y466-M470 PolarHBondContact O-N 3.46Å
467	L	95.5	Very high	93.1	Very high	104 Å²	104	57.7 Å²	57.7	55%	0.545	32%	0.316	S	S	.	.	H	α-helix	trans	-62.7	-35.9	178.5	-66.4	173.8	0	0	0	112	T463 A465 A471	T463-L467 HydrophobicContact CG2-CD1 4.05Å; T463-L467 HydrophobicContact CG2-CG 4.46Å; T463-L467 WeakPolarHBondContact O-CG 3.28Å; T463-L467 PolarHBondContact O-N 2.88Å; A465-L467 PolarHBondContact O-N 3.1Å; L467-A471 WeakPolarHBondContact O-CB 3.33Å; L467-A471 PolarHBondContact O-N 3.21Å
468	Q	92.3	Very high	93.2	Very high	111 Å²	111	57 Å²	57	52%	0.519	32%	0.32	S	S	.	.	H	α-helix	trans	-68.9	-43.7	176.4	-174.2	63.4	73.4	0	0	112.6	A464 A465 Y466 A471 N472	A464-Q468 WeakPolarHBondContact O-CB 3.25Å; A464-Q468 PolarHBondContact O-N 3.47Å; A464-Q468 VanDerWaalsContact O-N 3.11Å; A465-Q468 PolarHBondContact O-N 2.9Å; Y466-Q468 VanDerWaalsContact C-N 3.28Å; Y466-Q468 PolarHBondContact O-N 3.34Å; Q468-A471 PolarHBondContact O-N 3.27Å; Q468-N472 PolarHBondContact NE2-OD1 2.79Å; Q468-N472 WeakPolarHBondContact O-CB 3.48Å; Q468-N472 PolarHBondContact O-N 3.42Å; Q468-N472 PolarHBondContact O-ND2 2.97Å; Q468-N472 PolarHBondContact O-OD1 3.44Å
469	E	92.3	Very high	93.3	Very high	31 Å²	31	65.8 Å²	65.8	15%	0.145	35%	0.35	C	S	.	.	H	α-helix	trans	-67	-38.1	177.9	-58.1	-56.6	177.8	0	0	112	T323 L327 K331 A465 Y466 N472 L473	T323-E469 HydrophobicContact CG2-CB 4.02Å; L327-E469 HydrophobicContact CD2-CB 3.99Å; L327-E469 HydrophobicContact CD2-CG 3.99Å; L327-E469 HydrophobicContact CG-CB 4.47Å; K331-E469 HydrophobicContact CG-CG 4.5Å; K331-E469 IonicContact NZ-OE1 2.66Å; K331-E469 PolarHBondContact NZ-OE1 3.44Å; A465-E469 WeakPolarHBondContact O-CG 3.45Å; A465-E469 PolarHBondContact O-N 3.33Å; Y466-E469 PolarHBondContact O-N 2.96Å; E469-N472 WeakPolarHBondContact O-CB 3.35Å; E469-N472 PolarHBondContact O-N 2.93Å; E469-N472 PolarHBondContact OE2-ND2 3.43Å; E469-L473 WeakPolarHBondContact O-CB 3.4Å; E469-L473 PolarHBondContact O-N 3.02Å
470	M	94.4	Very high	93.3	Very high	15 Å²	15	68.6 Å²	68.6	7%	0.074	36%	0.363	C	S	.	.	H	α-helix	trans	-63.2	-43.8	173.8	-66.1	-60.2	-74.5	0	0	111	M324 L327 Y466 N472 L473 W474	M324-M470 HydrophobicContact CE-CE 3.96Å; M324-M470 HydrophobicContact CE-SD 3.61Å; L327-M470 HydrophobicContact CD1-SD 4.07Å; Y466-M470 HydrophobicContact CD2-CG 4.03Å; Y466-M470 HydrophobicContact CE1-CG 4.46Å; Y466-M470 HydrophobicContact CE2-CG 3.64Å; Y466-M470 HydrophobicContact CE2-SD 4.1Å; Y466-M470 VanDerWaalsContact O-CG 3.29Å; Y466-M470 WeakPolarHBondContact O-CG 3.38Å; Y466-M470 PolarHBondContact O-N 3.46Å; M470-N472 PolarHBondContact O-N 3.47Å; M470-L473 PolarHBondContact O-N 3.06Å; M470-W474 PolarHBondContact O-N 2.87Å; M470-W474 VanDerWaalsContact O-N 3.1Å
471	A	94.5	Very high	93.5	Very high	50 Å²	50	65 Å²	65	41%	0.413	35%	0.345	S	S	.	.	H	α-helix	trans	-62	-42.4	174.8	0	0	0	0	0	112.2	L467 Q468 L473 T475	L467-A471 WeakPolarHBondContact O-CB 3.33Å; L467-A471 PolarHBondContact O-N 3.21Å; Q468-A471 PolarHBondContact O-N 3.27Å; A471-L473 PolarHBondContact O-N 2.93Å; A471-T475 VanDerWaalsContact O-CG2 3.3Å; A471-T475 WeakPolarHBondContact O-CG2 3.17Å; A471-T475 PolarHBondContact O-N 3.42Å; A471-T475 PolarHBondContact O-OG1 3.35Å
472	N	93.1	Very high	94	Very high	69 Å²	69	67.3 Å²	67.3	37%	0.369	35%	0.346	S	S	.	.	H	α-helix	trans	-55.9	-50.9	175.2	-64.6	-18.9	0	0	0	110.6	Q468 E469 M470 T475	Q468-N472 PolarHBondContact NE2-OD1 2.79Å; Q468-N472 WeakPolarHBondContact O-CB 3.48Å; Q468-N472 PolarHBondContact O-N 3.42Å; Q468-N472 PolarHBondContact O-ND2 2.97Å; Q468-N472 PolarHBondContact O-OD1 3.44Å; E469-N472 WeakPolarHBondContact O-CB 3.35Å; E469-N472 PolarHBondContact O-N 2.93Å; E469-N472 PolarHBondContact OE2-ND2 3.43Å; M470-N472 PolarHBondContact O-N 3.47Å; N472-T475 PolarHBondContact O-N 3.33Å; N472-T475 PolarHBondContact O-OG1 3.41Å
473	L	94.8	Very high	94.1	Very high	3 Å²	3	73.5 Å²	73.5	2%	0.016	37%	0.372	C	S	.	.	H	α-helix	trans	-58.5	-54.8	-178.4	178.2	62.3	0	0	0	112.3	F316 C320 T323 M324 E469 M470 A471 T475 L476	F316-L473 HydrophobicContact CD2-CD1 4.02Å; F316-L473 HydrophobicContact CE2-CD1 3.6Å; F316-L473 HydrophobicContact CE2-CG 3.75Å; F316-L473 WeakPolarHBondContact CE2-O 3.48Å; F316-L473 HydrophobicContact CZ-CD1 4.18Å; F316-L473 HydrophobicContact CZ-CG 4.12Å; C320-L473 HydrophobicContact CB-CD1 4.03Å; C320-L473 HydrophobicContact CB-CD2 3.98Å; T323-L473 HydrophobicContact CG2-CD2 4.28Å; M324-L473 HydrophobicContact CE-CD2 4.3Å; E469-L473 WeakPolarHBondContact O-CB 3.4Å; E469-L473 PolarHBondContact O-N 3.02Å; M470-L473 PolarHBondContact O-N 3.06Å; A471-L473 PolarHBondContact O-N 2.93Å; L473-T475 VanDerWaalsContact C-N 3.26Å; L473-T475 PolarHBondContact O-N 2.77Å; L473-L476 HydrophobicContact CD1-CD1 4.3Å; L473-L476 WeakPolarHBondContact O-CB 3.4Å; L473-L476 VanDerWaalsContact O-CG 3.28Å; L473-L476 WeakPolarHBondContact O-CG 3.45Å; L473-L476 PolarHBondContact O-N 3.01Å
474	W	93.8	Very high	94	Very high	111 Å²	111	72 Å²	72	42%	0.42	36%	0.362	S	S	.	.	H	α-helix	trans	-69	-19.5	-174.3	-67.1	112.1	0	0	0	114.1	F316 M470 L476 P478	F316-W474 HydrophobicContact CE1-CH2 4.4Å; F316-W474 HydrophobicContact CE1-CZ3 4.06Å; F316-W474 HydrophobicContact CE2-CE3 4.17Å; F316-W474 HydrophobicContact CE2-CZ3 4.38Å; F316-W474 HydrophobicContact CZ-CD2 4.3Å; F316-W474 AromaticContact CZ-CE3 3.66Å; F316-W474 HydrophobicContact CZ-CE3 3.66Å; F316-W474 AromaticContact CZ-CH2 3.93Å; F316-W474 HydrophobicContact CZ-CH2 3.93Å; F316-W474 AromaticContact CZ-CZ3 3.46Å; F316-W474 HydrophobicContact CZ-CZ3 3.46Å; F316-W474 VanDerWaalsContact CZ-CZ3 3.46Å; M470-W474 PolarHBondContact O-N 2.87Å; M470-W474 VanDerWaalsContact O-N 3.1Å; W474-L476 PolarHBondContact O-N 2.9Å; W474-P478 WeakPolarHBondContact O-CD 3.35Å
475	T	93.7	Very high	94.3	Very high	102 Å²	102	70.9 Å²	70.9	63%	0.626	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-11	173.9	60	0	0	0	0	114.7	A471 N472 L473	A471-T475 VanDerWaalsContact O-CG2 3.3Å; A471-T475 WeakPolarHBondContact O-CG2 3.17Å; A471-T475 PolarHBondContact O-N 3.42Å; A471-T475 PolarHBondContact O-OG1 3.35Å; N472-T475 PolarHBondContact O-N 3.33Å; N472-T475 PolarHBondContact O-OG1 3.41Å; L473-T475 VanDerWaalsContact C-N 3.26Å; L473-T475 PolarHBondContact O-N 2.77Å
476	L	93.2	Very high	94.6	Very high	73 Å²	73	73.5 Å²	73.5	38%	0.382	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-28.8	-177.5	-62.8	176.6	0	0	0	114.1	F316 L473 W474 Q480	F316-L476 HydrophobicContact CD2-CB 4.23Å; F316-L476 HydrophobicContact CD2-CD1 4.39Å; L473-L476 HydrophobicContact CD1-CD1 4.3Å; L473-L476 WeakPolarHBondContact O-CB 3.4Å; L473-L476 VanDerWaalsContact O-CG 3.28Å; L473-L476 WeakPolarHBondContact O-CG 3.45Å; L473-L476 PolarHBondContact O-N 3.01Å; W474-L476 PolarHBondContact O-N 2.9Å; L476-Q480 WeakPolarHBondContact O-CG 3.44Å; L476-Q480 PolarHBondContact O-NE2 3.22Å
477	L	94.3	Very high	94.5	Very high	20 Å²	20	75.2 Å²	75.2	11%	0.105	37%	0.372	C	S	.	.	S	Bend	trans	-87.3	-46.6	-171.1	-71.4	173.1	0	0	0	115.9	I312 F316 R479 Q480 Y481	I312-L477 HydrophobicContact CG2-CD2 4.09Å; F316-L477 HydrophobicContact CB-CD2 3.74Å; F316-L477 HydrophobicContact CB-CG 4.25Å; F316-L477 HydrophobicContact CD1-CD1 3.83Å; F316-L477 HydrophobicContact CD1-CD2 4.39Å; F316-L477 HydrophobicContact CD1-CG 4.34Å; F316-L477 HydrophobicContact CD2-CD1 3.79Å; F316-L477 HydrophobicContact CD2-CD2 4.1Å; F316-L477 HydrophobicContact CD2-CG 3.63Å; F316-L477 HydrophobicContact CE1-CD1 3.86Å; F316-L477 HydrophobicContact CE2-CD1 3.79Å; F316-L477 HydrophobicContact CE2-CG 4.03Å; F316-L477 HydrophobicContact CG-CD1 3.8Å; F316-L477 HydrophobicContact CG-CD2 3.81Å; F316-L477 HydrophobicContact CG-CG 3.79Å; F316-L477 HydrophobicContact CZ-CD1 3.84Å; L477-R479 PolarHBondContact O-N 2.67Å; L477-Q480 WeakPolarHBondContact O-CB 3.26Å; L477-Q480 PolarHBondContact O-N 2.82Å; L477-Y481 HydrophobicContact CB-CD2 4.03Å; L477-Y481 HydrophobicContact CB-CE2 3.88Å; L477-Y481 HydrophobicContact CD1-CE2 4.18Å; L477-Y481 HydrophobicContact CD2-CE2 3.84Å; L477-Y481 HydrophobicContact CG-CE2 4.18Å; L477-Y481 PolarHBondContact O-N 3.16Å; L477-Y481 VanDerWaalsContact O-N 3.11Å
478	P	95.2	Very high	94.5	Very high	82 Å²	82	73.3 Å²	73.3	53%	0.532	36%	0.364	S	S	.	.	H	α-helix	trans	-57.5	-43.9	-163.1	-30	36.6	0	0	0	115.2	W474 Q480 Q482	W474-P478 WeakPolarHBondContact O-CD 3.35Å; P478-Q480 VanDerWaalsContact C-N 3.28Å; P478-Q480 PolarHBondContact O-N 2.98Å; P478-Q482 WeakPolarHBondContact O-CB 3.4Å; P478-Q482 PolarHBondContact O-N 3.44Å
479	R	93.4	Very high	94.7	Very high	210 Å²	210	76.9 Å²	76.9	79%	0.792	37%	0.373	S	S	*	.	H	α-helix	trans	-67	-28	177.7	-71.7	-177.2	174.8	178	-1.3	113.2	L477 K483	L477-R479 PolarHBondContact O-N 2.67Å; R479-K483 PolarHBondContact O-N 2.93Å
480	Q	95.5	Very high	94.6	Very high	72 Å²	72	82.6 Å²	82.6	34%	0.336	40%	0.4	S	S	.	.	H	α-helix	trans	-77.2	-44.6	-179.7	-59.1	-163	84.3	0	0	110.6	I312 L476 L477 P478 K483 L484	I312-Q480 HydrophobicContact CD1-CB 4.18Å; I312-Q480 HydrophobicContact CG1-CB 4.5Å; I312-Q480 HydrophobicContact CG2-CB 3.76Å; I312-Q480 HydrophobicContact CG2-CG 4.45Å; L476-Q480 WeakPolarHBondContact O-CG 3.44Å; L476-Q480 PolarHBondContact O-NE2 3.22Å; L477-Q480 WeakPolarHBondContact O-CB 3.26Å; L477-Q480 PolarHBondContact O-N 2.82Å; P478-Q480 VanDerWaalsContact C-N 3.28Å; P478-Q480 PolarHBondContact O-N 2.98Å; Q480-K483 PolarHBondContact O-N 2.94Å; Q480-L484 WeakPolarHBondContact O-CG 3.23Å; Q480-L484 PolarHBondContact O-N 3.45Å
481	Y	96.3	Very high	94.6	Very high	91 Å²	91	84.6 Å²	84.6	36%	0.357	41%	0.407	S	S	.	.	H	α-helix	trans	-63.6	-38.9	171.5	-71.6	-55.8	0	0	0	112.9	E313 L477 K483 L484 A485	E313-Y481 WeakPolarHBondContact CG-OH 3.39Å; E313-Y481 PolarHBondContact OE1-OH 3.36Å; L477-Y481 HydrophobicContact CB-CD2 4.03Å; L477-Y481 HydrophobicContact CB-CE2 3.88Å; L477-Y481 HydrophobicContact CD1-CE2 4.18Å; L477-Y481 HydrophobicContact CD2-CE2 3.84Å; L477-Y481 HydrophobicContact CG-CE2 4.18Å; L477-Y481 PolarHBondContact O-N 3.16Å; L477-Y481 VanDerWaalsContact O-N 3.11Å; Y481-K483 VanDerWaalsContact C-N 3.33Å; Y481-K483 PolarHBondContact O-N 3.1Å; Y481-L484 HydrophobicContact CD1-CD1 4.12Å; Y481-L484 PolarHBondContact O-N 3.45Å; Y481-A485 PolarHBondContact O-N 2.83Å
482	Q	96.1	Very high	94.5	Very high	110 Å²	110	87.9 Å²	87.9	51%	0.514	42%	0.416	S	S	.	.	H	α-helix	trans	-55.9	-48.1	173.3	-176	-172.8	-23.2	0	0	111.3	P478 L484 A485 E486	P478-Q482 WeakPolarHBondContact O-CB 3.4Å; P478-Q482 PolarHBondContact O-N 3.44Å; Q482-L484 PolarHBondContact O-N 2.97Å; Q482-A485 PolarHBondContact O-N 3.04Å; Q482-E486 WeakPolarHBondContact CG-OE1 3.44Å; Q482-E486 PolarHBondContact NE2-OE1 3.17Å; Q482-E486 WeakPolarHBondContact O-CG 3.42Å; Q482-E486 PolarHBondContact O-N 3.49Å
483	K	95.4	Very high	94.5	Very high	135 Å²	135	89.7 Å²	89.7	59%	0.587	43%	0.432	S	S	*	.	H	α-helix	trans	-63	-38.2	177.2	-174.5	-179.8	179.4	-177.2	0	112.6	R479 Q480 Y481 E486 N487	R479-K483 PolarHBondContact O-N 2.93Å; Q480-K483 PolarHBondContact O-N 2.94Å; Y481-K483 VanDerWaalsContact C-N 3.33Å; Y481-K483 PolarHBondContact O-N 3.1Å; K483-E486 PolarHBondContact O-N 3.38Å; K483-N487 VanDerWaalsContact O-CG 3.24Å; K483-N487 PolarHBondContact O-N 3.44Å; K483-N487 PolarHBondContact O-OD1 3.4Å
484	L	95.5	Very high	94.3	Very high	15 Å²	15	91.5 Å²	91.5	8%	0.079	45%	0.451	C	S	.	.	H	α-helix	trans	-63.8	-43.2	173.5	-68.5	174.1	0	0	0	111.4	I305 I312 Q480 Y481 Q482 E486 N487 V488	I305-L484 HydrophobicContact CG2-CD2 4.25Å; I312-L484 HydrophobicContact CD1-CD1 3.81Å; I312-L484 HydrophobicContact CD1-CD2 4.18Å; I312-L484 HydrophobicContact CD1-CG 4.09Å; Q480-L484 WeakPolarHBondContact O-CG 3.23Å; Q480-L484 PolarHBondContact O-N 3.45Å; Y481-L484 HydrophobicContact CD1-CD1 4.12Å; Y481-L484 PolarHBondContact O-N 3.45Å; Q482-L484 PolarHBondContact O-N 2.97Å; L484-E486 VanDerWaalsContact C-N 3.33Å; L484-E486 PolarHBondContact O-N 3.09Å; L484-N487 WeakPolarHBondContact O-CB 3.24Å; L484-N487 PolarHBondContact O-N 3.47Å; L484-V488 WeakPolarHBondContact O-CG2 3.41Å; L484-V488 PolarHBondContact O-N 3.32Å
485	A	95.5	Very high	94.2	Very high	38 Å²	38	88.5 Å²	88.5	31%	0.314	45%	0.445	S	S	.	.	H	α-helix	trans	-63.9	-36.9	176	0	0	0	0	0	112.4	Y481 Q482 V488 R489	Y481-A485 PolarHBondContact O-N 2.83Å; Q482-A485 PolarHBondContact O-N 3.04Å; A485-V488 PolarHBondContact O-N 3.2Å; A485-R489 WeakPolarHBondContact O-CG 3.45Å; A485-R489 PolarHBondContact O-N 2.68Å
486	E	95.1	Very high	94.1	Very high	78 Å²	78	86.4 Å²	86.4	36%	0.364	43%	0.426	S	S	.	.	H	α-helix	trans	-63	-42	171.6	-71.9	165.5	-170	0	0	112	Q482 K483 L484 V488 R489 Q490	Q482-E486 WeakPolarHBondContact CG-OE1 3.44Å; Q482-E486 PolarHBondContact NE2-OE1 3.17Å; Q482-E486 WeakPolarHBondContact O-CG 3.42Å; Q482-E486 PolarHBondContact O-N 3.49Å; K483-E486 PolarHBondContact O-N 3.38Å; L484-E486 VanDerWaalsContact C-N 3.33Å; L484-E486 PolarHBondContact O-N 3.09Å; E486-V488 PolarHBondContact O-N 3.01Å; E486-R489 PolarHBondContact O-N 3.29Å; E486-Q490 PolarHBondContact O-N 3.4Å
487	N	94.5	Very high	94	Very high	60 Å²	60	90.7 Å²	90.7	32%	0.321	44%	0.439	S	S	.	.	H	α-helix	trans	-63.4	-37.9	173	-65	-17.8	0	0	0	112.4	I305 K483 L484 Q490 Y491	I305-N487 HydrophobicContact CD1-CB 4.01Å; I305-N487 HydrophobicContact CG1-CB 4.37Å; K483-N487 VanDerWaalsContact O-CG 3.24Å; K483-N487 PolarHBondContact O-N 3.44Å; K483-N487 PolarHBondContact O-OD1 3.4Å; L484-N487 WeakPolarHBondContact O-CB 3.24Å; L484-N487 PolarHBondContact O-N 3.47Å; N487-Q490 PolarHBondContact O-N 3.43Å; N487-Y491 PolarHBondContact O-N 2.85Å
488	V	96	Very high	93.8	Very high	64 Å²	64	96.6 Å²	96.6	39%	0.388	46%	0.463	S	S	.	.	H	α-helix	trans	-64	-40.5	175.7	173.7	0	0	0	0	111.1	L302 I305 L484 A485 E486 Q490 Y491	L302-V488 HydrophobicContact CD2-CG2 4.42Å; I305-V488 HydrophobicContact CD1-CG2 4.07Å; I305-V488 HydrophobicContact CG2-CG2 3.86Å; L484-V488 WeakPolarHBondContact O-CG2 3.41Å; L484-V488 PolarHBondContact O-N 3.32Å; A485-V488 PolarHBondContact O-N 3.2Å; E486-V488 PolarHBondContact O-N 3.01Å; V488-Q490 PolarHBondContact O-N 2.8Å; V488-Y491 WeakPolarHBondContact O-CB 3.47Å; V488-Y491 PolarHBondContact O-N 2.88Å
489	R	95.3	Very high	93.6	Very high	185 Å²	185	97.2 Å²	97.2	70%	0.698	46%	0.459	S	S	*	.	H	α-helix	trans	-63.5	-20.5	175.8	-67.7	174.2	-165.6	113.8	-0.9	113.5	A485 E486	A485-R489 WeakPolarHBondContact O-CG 3.45Å; A485-R489 PolarHBondContact O-N 2.68Å; E486-R489 PolarHBondContact O-N 3.29Å
490	Q	92.2	Very high	93.5	Very high	152 Å²	152	92.8 Å²	92.8	71%	0.71	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-7.2	175.7	-64.9	177.3	13.1	0	0	113.4	E486 N487 V488 I492	E486-Q490 PolarHBondContact O-N 3.4Å; N487-Q490 PolarHBondContact O-N 3.43Å; V488-Q490 PolarHBondContact O-N 2.8Å; Q490-I492 PolarHBondContact O-N 2.8Å
491	Y	93.2	Very high	93.3	Very high	56 Å²	56	91.8 Å²	91.8	22%	0.22	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-76.1	121.8	179.9	174.6	-107	0	0	0	111.7	P301 L302 N487 V488 P493 T495 Y496	P301-Y491 HydrophobicContact CB-CE1 4.31Å; P301-Y491 WeakPolarHBondContact CB-OH 3.16Å; L302-Y491 HydrophobicContact CD2-CD1 3.55Å; L302-Y491 HydrophobicContact CD2-CD2 4.1Å; L302-Y491 HydrophobicContact CD2-CE1 4.2Å; L302-Y491 HydrophobicContact CD2-CG 3.48Å; L302-Y491 VanDerWaalsContact CD2-CG 3.48Å; L302-Y491 HydrophobicContact CG-CD1 4.09Å; L302-Y491 HydrophobicContact CG-CE1 4.29Å; L302-Y491 HydrophobicContact CG-CG 4.41Å; N487-Y491 PolarHBondContact O-N 2.85Å; V488-Y491 WeakPolarHBondContact O-CB 3.47Å; V488-Y491 PolarHBondContact O-N 2.88Å; Y491-P493 WeakPolarHBondContact O-CD 3.35Å; Y491-T495 VanDerWaalsContact CE2-OG1 3.3Å; Y491-T495 WeakPolarHBondContact CE2-OG1 3.04Å; Y491-Y496 HydrophobicContact CD2-CE2 4.43Å; Y491-Y496 AromaticContact CE2-CD2 3.74Å; Y491-Y496 HydrophobicContact CE2-CD2 3.74Å; Y491-Y496 AromaticContact CE2-CE2 3.78Å; Y491-Y496 HydrophobicContact CE2-CE2 3.78Å
492	I	92.3	Very high	92.9	Very high	119 Å²	119	91.9 Å²	91.9	61%	0.61	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-91	118.4	175.3	-59.3	171.3	0	0	0	108.9	Q490 T495	Q490-I492 PolarHBondContact O-N 2.8Å; I492-T495 HydrophobicContact CB-CG2 3.75Å; I492-T495 HydrophobicContact CG2-CG2 4.04Å; I492-T495 WeakPolarHBondContact O-CB 3.3Å; I492-T495 VanDerWaalsContact O-CG2 3.26Å; I492-T495 WeakPolarHBondContact O-CG2 3.25Å; I492-T495 PolarHBondContact O-N 3Å; I492-T495 PolarHBondContact O-OG1 3.48Å
493	P	93.7	Very high	92.5	Very high	108 Å²	108	91.1 Å²	91.1	70%	0.701	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	146.3	177.5	-26.6	36.1	0	0	0	113.3	Y491 T495	Y491-P493 WeakPolarHBondContact O-CD 3.35Å; P493-T495 PolarHBondContact O-N 3.47Å
494	G	90.5	Very high	91.9	Very high	41 Å²	41	86.4 Å²	86.4	42%	0.423	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	-6.8	179	0	0	0	0	0	115.8	Y497 K498	G494-Y497 PolarHBondContact O-N 3.05Å; G494-K498 PolarHBondContact O-N 3.15Å
495	T	91.8	Very high	91.1	Very high	47 Å²	47	89.2 Å²	89.2	29%	0.288	45%	0.445	S	S	.	.	H	α-helix	trans	-53.8	-57.1	176	40.7	0	0	0	0	112.8	Y491 I492 P493 Y497 K498 E499	Y491-T495 VanDerWaalsContact CE2-OG1 3.3Å; Y491-T495 WeakPolarHBondContact CE2-OG1 3.04Å; I492-T495 HydrophobicContact CB-CG2 3.75Å; I492-T495 HydrophobicContact CG2-CG2 4.04Å; I492-T495 WeakPolarHBondContact O-CB 3.3Å; I492-T495 VanDerWaalsContact O-CG2 3.26Å; I492-T495 WeakPolarHBondContact O-CG2 3.25Å; I492-T495 PolarHBondContact O-N 3Å; I492-T495 PolarHBondContact O-OG1 3.48Å; P493-T495 PolarHBondContact O-N 3.47Å; T495-Y497 VanDerWaalsContact C-N 3.28Å; T495-Y497 PolarHBondContact O-N 2.67Å; T495-K498 WeakPolarHBondContact O-CB 3.23Å; T495-K498 PolarHBondContact O-N 2.87Å; T495-K498 VanDerWaalsContact O-N 3.09Å; T495-E499 PolarHBondContact O-N 2.75Å
496	Y	90.7	Very high	90	Very high	58 Å²	58	92.8 Å²	92.8	23%	0.227	46%	0.457	C	S	.	.	H	α-helix	trans	-64.8	-29.2	178.9	-68.7	-62.2	0	0	0	113.4	Y299 Y491 E499 Y500	Y299-Y496 VanDerWaalsContact O-CB 3.22Å; Y299-Y496 WeakPolarHBondContact O-CB 3.37Å; Y491-Y496 HydrophobicContact CD2-CE2 4.43Å; Y491-Y496 AromaticContact CE2-CD2 3.74Å; Y491-Y496 HydrophobicContact CE2-CD2 3.74Å; Y491-Y496 AromaticContact CE2-CE2 3.78Å; Y491-Y496 HydrophobicContact CE2-CE2 3.78Å; Y496-E499 WeakPolarHBondContact CD1-OE2 3.24Å; Y496-E499 PolarHBondContact O-N 3.23Å; Y496-Y500 WeakPolarHBondContact O-CB 3.42Å; Y496-Y500 PolarHBondContact O-N 2.78Å
497	Y	92.6	Very high	88.9	Confident	164 Å²	164	92 Å²	92	64%	0.643	46%	0.455	S	S	*	.	H	α-helix	trans	-66.7	-40.1	172.2	177.8	-106.5	0	0	0	111.7	G494 T495 E499 Y500 V501	G494-Y497 PolarHBondContact O-N 3.05Å; T495-Y497 VanDerWaalsContact C-N 3.28Å; T495-Y497 PolarHBondContact O-N 2.67Å; Y497-E499 VanDerWaalsContact C-N 3.34Å; Y497-E499 PolarHBondContact O-N 3.06Å; Y497-Y500 HydrophobicContact CD2-CD1 4.4Å; Y497-Y500 HydrophobicContact CE2-CD1 4.45Å; Y497-Y500 PolarHBondContact O-N 2.85Å; Y497-V501 HydrophobicContact CD1-CG2 4.33Å; Y497-V501 HydrophobicContact CD2-CG2 4.33Å; Y497-V501 HydrophobicContact CE1-CG2 3.86Å; Y497-V501 HydrophobicContact CE2-CG2 3.85Å; Y497-V501 WeakPolarHBondContact O-CG2 3.32Å; Y497-V501 PolarHBondContact O-N 3.47Å
498	K	90.2	Very high	87.3	Confident	144 Å²	144	92 Å²	92	63%	0.626	46%	0.459	S	S	*	.	H	α-helix	trans	-62.5	-40.3	172.7	-176.6	179.7	177.9	-179.5	0	111.7	G494 T495 N502	G494-K498 PolarHBondContact O-N 3.15Å; T495-K498 WeakPolarHBondContact O-CB 3.23Å; T495-K498 PolarHBondContact O-N 2.87Å; T495-K498 VanDerWaalsContact O-N 3.09Å; K498-N502 VanDerWaalsContact O-CB 3.32Å; K498-N502 WeakPolarHBondContact O-CB 3.44Å; K498-N502 PolarHBondContact O-N 2.96Å; K498-N502 PolarHBondContact O-ND2 3.16Å; K498-N502 PolarHBondContact O-OD1 3Å
499	E	89.8	Confident	85.5	Confident	95 Å²	95	91.5 Å²	91.5	44%	0.444	46%	0.459	S	S	.	.	H	α-helix	trans	-64.4	-44.8	173.3	-69.2	177.5	-168.1	0	0	112.4	Y299 T495 Y496 Y497 N502 K503	Y299-E499 HydrophobicContact CD1-CB 3.78Å; Y299-E499 HydrophobicContact CE1-CB 3.95Å; T495-E499 PolarHBondContact O-N 2.75Å; Y496-E499 WeakPolarHBondContact CD1-OE2 3.24Å; Y496-E499 PolarHBondContact O-N 3.23Å; Y497-E499 VanDerWaalsContact C-N 3.34Å; Y497-E499 PolarHBondContact O-N 3.06Å; E499-N502 PolarHBondContact O-N 3.05Å; E499-K503 WeakPolarHBondContact O-CB 3.18Å; E499-K503 PolarHBondContact O-N 3.48Å
500	Y	92.3	Very high	83.5	Confident	117 Å²	117	87.4 Å²	87.4	46%	0.459	45%	0.448	S	S	.	.	H	α-helix	trans	-58.8	-47.1	175.6	172	-100.1	0	0	0	112.1	Y299 Y496 Y497 K503 S504	Y299-Y500 HydrophobicContact CD2-CD2 4.04Å; Y299-Y500 HydrophobicContact CG-CD2 4.43Å; Y496-Y500 WeakPolarHBondContact O-CB 3.42Å; Y496-Y500 PolarHBondContact O-N 2.78Å; Y497-Y500 HydrophobicContact CD2-CD1 4.4Å; Y497-Y500 HydrophobicContact CE2-CD1 4.45Å; Y497-Y500 PolarHBondContact O-N 2.85Å; Y500-K503 PolarHBondContact O-N 2.84Å; Y500-S504 WeakPolarHBondContact O-CB 3.46Å; Y500-S504 PolarHBondContact O-N 2.9Å; Y500-S504 PolarHBondContact O-OG 3.06Å
501	V	90.4	Very high	81.5	Confident	50 Å²	50	86.9 Å²	86.9	30%	0.303	44%	0.443	S	S	.	.	H	α-helix	trans	-63.7	-47.4	176.7	171.3	0	0	0	0	110.3	Y497 K503 S504 V505	Y497-V501 HydrophobicContact CD1-CG2 4.33Å; Y497-V501 HydrophobicContact CD2-CG2 4.33Å; Y497-V501 HydrophobicContact CE1-CG2 3.86Å; Y497-V501 HydrophobicContact CE2-CG2 3.85Å; Y497-V501 WeakPolarHBondContact O-CG2 3.32Å; Y497-V501 PolarHBondContact O-N 3.47Å; V501-K503 PolarHBondContact O-N 3.3Å; V501-S504 PolarHBondContact O-N 3.22Å; V501-V505 HydrophobicContact CG1-CG2 4.3Å; V501-V505 WeakPolarHBondContact O-CB 3.34Å; V501-V505 VanDerWaalsContact O-CG2 3.29Å; V501-V505 WeakPolarHBondContact O-CG2 3.26Å; V501-V505 PolarHBondContact O-N 2.92Å
502	N	88.5	Confident	79.2	Confident	93 Å²	93	90.3 Å²	90.3	50%	0.497	47%	0.465	S	S	.	.	H	α-helix	trans	-56.4	-47.8	177.5	-75.8	-9.8	0	0	0	111.7	K498 E499 V505 M506	K498-N502 VanDerWaalsContact O-CB 3.32Å; K498-N502 WeakPolarHBondContact O-CB 3.44Å; K498-N502 PolarHBondContact O-N 2.96Å; K498-N502 PolarHBondContact O-ND2 3.16Å; K498-N502 PolarHBondContact O-OD1 3Å; E499-N502 PolarHBondContact O-N 3.05Å; N502-V505 PolarHBondContact O-N 3.18Å; N502-M506 VanDerWaalsContact O-CG 3.31Å; N502-M506 WeakPolarHBondContact O-CG 3.34Å; N502-M506 PolarHBondContact O-N 2.87Å
503	K	86	Confident	77.2	Confident	95 Å²	95	91.6 Å²	91.6	41%	0.413	47%	0.473	S	S	.	.	H	α-helix	trans	-66.5	-44.1	177.7	-177.1	175.2	176.1	-173.8	0	111.9	Y299 E499 Y500 V501 V505 M506 D507	Y299-K503 HydrophobicContact CE2-CD 4.03Å; Y299-K503 WeakPolarHBondContact OH-CD 3.21Å; E499-K503 WeakPolarHBondContact O-CB 3.18Å; E499-K503 PolarHBondContact O-N 3.48Å; Y500-K503 PolarHBondContact O-N 2.84Å; V501-K503 PolarHBondContact O-N 3.3Å; K503-V505 VanDerWaalsContact C-N 3.26Å; K503-V505 PolarHBondContact O-N 3.34Å; K503-M506 PolarHBondContact O-N 3.39Å; K503-M506 VanDerWaalsContact O-N 3.13Å; K503-D507 WeakPolarHBondContact O-CB 3.35Å; K503-D507 PolarHBondContact O-N 2.72Å
504	S	83.1	Confident	75	Confident	36 Å²	36	92.2 Å²	92.2	25%	0.252	46%	0.464	S	S	.	.	H	α-helix	trans	-61.6	-35.7	178.6	-60.7	0	0	0	0	112	Y500 V501 S508	Y500-S504 WeakPolarHBondContact O-CB 3.46Å; Y500-S504 PolarHBondContact O-N 2.9Å; Y500-S504 PolarHBondContact O-OG 3.06Å; V501-S504 PolarHBondContact O-N 3.22Å; S504-S508 VanDerWaalsContact O-CB 3.28Å; S504-S508 WeakPolarHBondContact O-CB 3.4Å; S504-S508 PolarHBondContact O-N 3.41Å; S504-S508 PolarHBondContact O-OG 2.78Å
505	V	79.8	Confident	72.6	Confident	74 Å²	74	94.8 Å²	94.8	45%	0.448	48%	0.476	S	S	.	.	H	α-helix	trans	-68.1	-46.7	172.2	170.5	0	0	0	0	110.9	V501 N502 K503 S508 S509	V501-V505 HydrophobicContact CG1-CG2 4.3Å; V501-V505 WeakPolarHBondContact O-CB 3.34Å; V501-V505 VanDerWaalsContact O-CG2 3.29Å; V501-V505 WeakPolarHBondContact O-CG2 3.26Å; V501-V505 PolarHBondContact O-N 2.92Å; N502-V505 PolarHBondContact O-N 3.18Å; K503-V505 VanDerWaalsContact C-N 3.26Å; K503-V505 PolarHBondContact O-N 3.34Å; V505-S508 CarbonylContact O-C 3.54Å; V505-S508 WeakPolarHBondContact O-CB 3.34Å; V505-S508 PolarHBondContact O-N 2.9Å; V505-S508 VanDerWaalsContact O-N 3.14Å; V505-S509 PolarHBondContact O-N 3.36Å; V505-S509 PolarHBondContact O-OG 2.98Å; V505-S509 VanDerWaalsContact O-OG 3.1Å
506	M	71.8	Confident	70	Confident	112 Å²	112	98 Å²	98	55%	0.552	50%	0.5	S	S	*	.	H	α-helix	trans	-61.5	-46.2	176.3	-67.9	-66.8	95.6	0	0	112.7	N502 K503 S508 S509 E510	N502-M506 VanDerWaalsContact O-CG 3.31Å; N502-M506 WeakPolarHBondContact O-CG 3.34Å; N502-M506 PolarHBondContact O-N 2.87Å; K503-M506 PolarHBondContact O-N 3.39Å; K503-M506 VanDerWaalsContact O-N 3.13Å; M506-S508 PolarHBondContact O-N 3.13Å; M506-S509 WeakPolarHBondContact O-CB 3.45Å; M506-S509 PolarHBondContact O-N 3.01Å; M506-S509 VanDerWaalsContact O-N 3.13Å; M506-E510 PolarHBondContact O-N 3.48Å
507	D	73.2	Confident	67.5	Low	61 Å²	61	106.1 Å²	106.1	33%	0.326	53%	0.53	S	S	.	.	H	α-helix	trans	-60.1	-33.3	174.4	-74.1	-1.7	0	0	0	111.3	K503 K511	K503-D507 WeakPolarHBondContact O-CB 3.35Å; K503-D507 PolarHBondContact O-N 2.72Å; D507-K511 WeakPolarHBondContact O-CB 3.21Å; D507-K511 VanDerWaalsContact O-CD 3.27Å; D507-K511 WeakPolarHBondContact O-CD 3.38Å; D507-K511 WeakPolarHBondContact O-CG 3.42Å; D507-K511 PolarHBondContact O-N 2.88Å
508	S	60.6	Low	64.6	Low	60 Å²	60	106.2 Å²	106.2	42%	0.42	54%	0.537	S	S	.	.	H	α-helix	trans	-75.3	-36.8	174.8	-60.6	0	0	0	0	112.5	S504 V505 M506 K511 N512	S504-S508 VanDerWaalsContact O-CB 3.28Å; S504-S508 WeakPolarHBondContact O-CB 3.4Å; S504-S508 PolarHBondContact O-N 3.41Å; S504-S508 PolarHBondContact O-OG 2.78Å; V505-S508 CarbonylContact O-C 3.54Å; V505-S508 WeakPolarHBondContact O-CB 3.34Å; V505-S508 PolarHBondContact O-N 2.9Å; V505-S508 VanDerWaalsContact O-N 3.14Å; M506-S508 PolarHBondContact O-N 3.13Å; S508-K511 PolarHBondContact O-N 2.89Å; S508-N512 PolarHBondContact O-N 3.41Å; S508-N512 PolarHBondContact O-ND2 3.3Å
509	S	56.6	Low	61.9	Low	54 Å²	54	106.8 Å²	106.8	38%	0.378	54%	0.542	S	S	.	.	H	α-helix	trans	-62.8	-45	171.5	-60.4	0	0	0	0	110.9	V505 M506 N512 L513	V505-S509 PolarHBondContact O-N 3.36Å; V505-S509 PolarHBondContact O-OG 2.98Å; V505-S509 VanDerWaalsContact O-OG 3.1Å; M506-S509 WeakPolarHBondContact O-CB 3.45Å; M506-S509 PolarHBondContact O-N 3.01Å; M506-S509 VanDerWaalsContact O-N 3.13Å; S509-N512 PolarHBondContact O-N 3.4Å; S509-L513 PolarHBondContact O-N 2.92Å; S509-L513 VanDerWaalsContact O-N 3.15Å
510	E	54.5	Low	59.2	Low	99 Å²	99	108.1 Å²	108.1	46%	0.463	56%	0.557	S	S	.	*	H	α-helix	trans	-63.8	-42.5	175	-73.1	-144.6	126.1	0	0	112.5	M506 N512 L513 K514	M506-E510 PolarHBondContact O-N 3.48Å; E510-N512 VanDerWaalsContact C-N 3.32Å; E510-N512 PolarHBondContact O-N 3.37Å; E510-L513 CarbonylContact O-C 3.55Å; E510-L513 PolarHBondContact O-N 2.71Å; E510-K514 HydrophobicContact CB-CD 4.33Å; E510-K514 VanDerWaalsContact O-CB 3.31Å; E510-K514 WeakPolarHBondContact O-CB 3.41Å; E510-K514 VanDerWaalsContact O-CG 3.27Å; E510-K514 WeakPolarHBondContact O-CG 3.3Å; E510-K514 PolarHBondContact O-N 3.27Å; E510-K514 IonicContact OE1-NZ 3.77Å; E510-K514 PolarHBondContact OE1-NZ 2.99Å; E510-K514 IonicContact OE2-NZ 3.88Å; E510-K514 PolarHBondContact OE2-NZ 3.37Å
511	K	50.5	Low	56.4	Low	142 Å²	142	112.4 Å²	112.4	62%	0.617	58%	0.577	S	S	*	*	H	α-helix	trans	-64.6	-34.6	178.1	-75.1	162.9	-169	165.4	0	112.5	D507 S508 L513 K514 S515	D507-K511 WeakPolarHBondContact O-CB 3.21Å; D507-K511 VanDerWaalsContact O-CD 3.27Å; D507-K511 WeakPolarHBondContact O-CD 3.38Å; D507-K511 WeakPolarHBondContact O-CG 3.42Å; D507-K511 PolarHBondContact O-N 2.88Å; S508-K511 PolarHBondContact O-N 2.89Å; K511-L513 VanDerWaalsContact C-N 3.3Å; K511-L513 PolarHBondContact O-N 2.92Å; K511-K514 PolarHBondContact O-N 3.41Å; K511-S515 PolarHBondContact O-N 2.85Å
512	N	45.2	Very low	53.5	Low	128 Å²	128	114.5 Å²	114.5	68%	0.684	60%	0.6	S	S	*	*	H	α-helix	trans	-71.7	-20.8	172.3	-77.7	-64.8	0	0	0	113.8	S508 S509 E510 S515	S508-N512 PolarHBondContact O-N 3.41Å; S508-N512 PolarHBondContact O-ND2 3.3Å; S509-N512 PolarHBondContact O-N 3.4Å; E510-N512 VanDerWaalsContact C-N 3.32Å; E510-N512 PolarHBondContact O-N 3.37Å; N512-S515 PolarHBondContact O-OG 3.33Å
513	L	50.4	Low	50.9	Low	146 Å²	146	115.5 Å²	115.5	76%	0.764	62%	0.615	S	S	*	*	H	α-helix	trans	-92	-22.7	173.9	-79.5	161.7	0	0	0	113.6	S509 E510 K511	S509-L513 PolarHBondContact O-N 2.92Å; S509-L513 VanDerWaalsContact O-N 3.15Å; E510-L513 CarbonylContact O-C 3.55Å; E510-L513 PolarHBondContact O-N 2.71Å; K511-L513 VanDerWaalsContact C-N 3.3Å; K511-L513 PolarHBondContact O-N 2.92Å
514	K	45.7	Very low	48.4	Very low	121 Å²	121	116.2 Å²	116.2	53%	0.526	63%	0.631	S	S	.	*	H	α-helix	trans	-98.3	-3.6	-175.4	-68.3	172.6	-174	177	0	114.2	E510 K511 S516 R517	E510-K514 HydrophobicContact CB-CD 4.33Å; E510-K514 VanDerWaalsContact O-CB 3.31Å; E510-K514 WeakPolarHBondContact O-CB 3.41Å; E510-K514 VanDerWaalsContact O-CG 3.27Å; E510-K514 WeakPolarHBondContact O-CG 3.3Å; E510-K514 PolarHBondContact O-N 3.27Å; E510-K514 IonicContact OE1-NZ 3.77Å; E510-K514 PolarHBondContact OE1-NZ 2.99Å; E510-K514 IonicContact OE2-NZ 3.88Å; E510-K514 PolarHBondContact OE2-NZ 3.37Å; K511-K514 PolarHBondContact O-N 3.41Å; K514-S516 PolarHBondContact O-N 2.93Å; K514-R517 PolarHBondContact O-N 3.24Å
515	S	40	Very low	45.9	Very low	95 Å²	95	123.2 Å²	123.2	66%	0.664	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-15	175.3	53.8	0	0	0	0	114.7	K511 N512	K511-S515 PolarHBondContact O-N 2.85Å; N512-S515 PolarHBondContact O-OG 3.33Å
516	S	38.8	Very low	43.7	Very low	114 Å²	114	125.1 Å²	125.1	80%	0.797	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	17	-178.1	-59.5	0	0	0	0	114.9	K514	K514-S516 PolarHBondContact O-N 2.93Å
517	R	37.3	Very low	41.8	Very low	228 Å²	228	129.3 Å²	129.3	86%	0.86	70%	0.695	S	S	*	*			trans	-148.1	109.4	175.2	-158.4	168.2	-171.5	159.9	2.4	114.1	K514	K514-R517 PolarHBondContact O-N 3.24Å
518	E	31.3	Very low	39.8	Very low	167 Å²	167	133.7 Å²	133.7	78%	0.78	72%	0.718	S	S	*	*			trans	-75.6	175.9	174.3	-50	-178.6	108.7	0	0	113.3
519	Q	34.8	Very low	38.3	Very low	155 Å²	155	136.4 Å²	136.4	72%	0.724	73%	0.734	S	S	*	*			trans	78.9	96	153	-68.9	176.9	37.5	0	0	120.4
520	T	32.7	Very low	37	Very low	124 Å²	124	140.1 Å²	140.1	76%	0.761	75%	0.754	S	S	*	*				91.1	148.5	127.1	70.1	0	0	0	0	122.7
521	K	33.9	Very low	35.9	Very low	206 Å²	206	142.5 Å²	142.5	90%	0.896	77%	0.768	S	S	*	*			trans	83.2	116.2	164.3	-69.8	177.3	178.2	176.4	0	118.1
522	A	29.7	Very low	35	Very low	95 Å²	95	143 Å²	143	79%	0.785	77%	0.773	S	S	*	*			trans	-94.3	172.3	-179.3	0	0	0	0	0	112.8
523	S	33.8	Very low	34.3	Very low	114 Å²	114	143.6 Å²	143.6	80%	0.797	78%	0.781	S	S	*	*			trans	-158.5	134.3	142	-77.9	0	0	0	0	111.6
524	S	32.3	Very low	33.5	Very low	109 Å²	109	143.1 Å²	143.1	76%	0.762	78%	0.779	S	S	*	*			trans	35.4	123.8	151.1	58.5	0	0	0	0	121.8
525	E	32.1	Very low	32.8	Very low	184 Å²	184	140.3 Å²	140.3	86%	0.86	79%	0.785	S	S	*	*				-167.2	152.2	98.9	-103.4	-179.7	171.7	0	0	113.9
526	S	32.1	Very low	32.4	Very low	114 Å²	114	142.3 Å²	142.3	80%	0.797	79%	0.788	S	S	*	*			trans	32	106.9	168	59.2	0	0	0	0	121
527	E	32.5	Very low	32	Very low	200 Å²	200	142.4 Å²	142.4	94%	0.935	79%	0.786	S	S	*	*			trans	-86.7	140.5	157.6	-67.6	-173.6	137.1	0	0	111.8
528	L	31.3	Very low	31.7	Very low	153 Å²	153	140 Å²	140	80%	0.801	79%	0.788	S	S	*	*			trans	-102.9	149.2	166.8	-78.6	169.5	0	0	0	110.2	V530	L528-V530 PolarHBondContact O-N 3.18Å
529	P	30.1	Very low	31.8	Very low	116 Å²	116	138.8 Å²	138.8	75%	0.753	79%	0.787	S	S	*	*			trans	-70.7	113.1	-173.3	27.6	-34.7	0	0	0	112.6	I531	P529-I531 PolarHBondContact O-N 2.76Å; P529-I531 VanDerWaalsContact O-N 3.16Å
530	V	28.2	Very low	31.5	Very low	132 Å²	132	137.2 Å²	137.2	80%	0.8	79%	0.788	S	S	*	*			trans	-74.1	101.5	173.1	179.7	0	0	0	0	110.1	L528	L528-V530 PolarHBondContact O-N 3.18Å
531	I	32	Very low	31.5	Very low	149 Å²	149	142.8 Å²	142.8	76%	0.764	80%	0.795	S	S	*	*			trans	-85.7	114	166.9	-61.1	-179	0	0	0	108.4	P529	P529-I531 PolarHBondContact O-N 2.76Å; P529-I531 VanDerWaalsContact O-N 3.16Å
532	Q	30.3	Very low	31.5	Very low	152 Å²	152	139.1 Å²	139.1	71%	0.71	79%	0.79	S	S	*	*			trans	-69.5	132.3	-176	-63.5	177.1	-40.5	0	0	112.2
533	V	30.5	Very low	31.4	Very low	141 Å²	141	140.1 Å²	140.1	86%	0.855	79%	0.786	S	S	*	*			trans	-111.7	69.2	173	-170.8	0	0	0	0	109.5
534	N	34	Very low	31.4	Very low	136 Å²	136	141.2 Å²	141.2	73%	0.727	79%	0.788	S	S	*	*			trans	-92.7	133.4	174.3	-66.4	-2.5	0	0	0	109.8
535	G	30.5	Very low	31.5	Very low	63 Å²	63	144 Å²	144	65%	0.649	79%	0.789	S	S	*	*			trans	170.6	50.1	-172.6	0	0	0	0	0	114.8
536	D	32.3	Very low	31.6	Very low	137 Å²	137	145.9 Å²	145.9	73%	0.733	79%	0.788	S	S	*	*			trans	-57.7	156.7	-165.9	-65.5	-79.8	0	0	0	117.3	I538	D536-I538 PolarHBondContact O-N 2.82Å
537	P	30.3	Very low	31.7	Very low	116 Å²	116	145.8 Å²	145.8	75%	0.753	79%	0.787	S	S	*	*			trans	-72.4	124.7	177.5	29.7	-34.9	0	0	0	112	N539	P537-N539 PolarHBondContact O-N 2.82Å
538	I	31.3	Very low	32	Very low	176 Å²	176	140.8 Å²	140.8	90%	0.903	77%	0.774	S	S	*	*			trans	-74	100.6	170	-58.3	176.7	0	0	0	108.9	D536	D536-I538 PolarHBondContact O-N 2.82Å
539	N	32.6	Very low	32.5	Very low	142 Å²	142	141.1 Å²	141.1	76%	0.759	78%	0.775	S	S	*	*			trans	-105.7	158	161.7	-152.4	-0.2	0	0	0	110.3	P537	P537-N539 PolarHBondContact O-N 2.82Å
540	T	28.7	Very low	32.9	Very low	122 Å²	122	140.6 Å²	140.6	75%	0.748	77%	0.772	S	S	*	*			trans	-60.7	127.9	-168.1	28.4	0	0	0	0	115.2
541	R	33.7	Very low	33.1	Very low	242 Å²	242	139.5 Å²	139.5	91%	0.913	77%	0.77	S	S	*	*			trans	-163	127.6	141.2	-109.2	154.7	-167.1	-171.2	3.1	116.2
542	V	34.2	Very low	33.3	Very low	129 Å²	129	137.4 Å²	137.4	78%	0.782	77%	0.769	S	S	*	*			trans	1.4	115.5	151.8	-172.9	0	0	0	0	119.4
543	V	27.7	Very low	33.6	Very low	116 Å²	116	136.4 Å²	136.4	70%	0.703	77%	0.773	S	S	*	*			trans	27.2	116.3	131.1	-169.5	0	0	0	0	119.4
544	T	33.7	Very low	33.9	Very low	136 Å²	136	134.3 Å²	134.3	83%	0.834	77%	0.765	S	S	*	*				-168.9	164.5	117	17.7	0	0	0	0	113.5
545	H	33	Very low	34	Very low	169 Å²	169	133.3 Å²	133.3	78%	0.782	77%	0.768	S	S	*	*			trans	-65.6	172.1	-177.1	-59.1	-93	0	0	0	113.8
546	R	34	Very low	34.3	Very low	222 Å²	222	134.8 Å²	134.8	84%	0.838	77%	0.774	S	S	*	*			cis	-172.5	144.6	29.4	-147.7	170.1	-165.2	-137	6.9	112.1
547	S	35.9	Very low	34.3	Very low	112 Å²	112	134.7 Å²	134.7	78%	0.783	78%	0.779	S	S	*	*			trans	59.6	159.9	157.7	-56.2	0	0	0	0	119.5
548	S	37.5	Very low	34.4	Very low	96 Å²	96	134.2 Å²	134.2	67%	0.671	78%	0.779	S	S	*	*			cis	-170.5	123.5	-20.7	44.1	0	0	0	0	107.9
549	I	42.7	Very low	34.4	Very low	159 Å²	159	131.5 Å²	131.5	82%	0.815	77%	0.77	S	S	*	*				62.7	129.2	86.4	-63.2	170.9	0	0	0	114.3
550	P	38.9	Very low	34.2	Very low	105 Å²	105	129.3 Å²	129.3	68%	0.682	77%	0.765	S	S	*	*			cis	-148.5	174.2	-26.6	43.6	-23.1	0	0	0	118
551	S	32.4	Very low	34.3	Very low	109 Å²	109	134 Å²	134	76%	0.762	77%	0.771	S	S	*	*			trans	33.4	133.4	142.4	66.1	0	0	0	0	126.2
552	S	36.3	Very low	34	Very low	105 Å²	105	133.5 Å²	133.5	73%	0.734	77%	0.769	S	S	*	*			trans	-172.5	140.9	134.1	57.5	0	0	0	0	115.5
553	T	36.3	Very low	33.9	Very low	132 Å²	132	137.2 Å²	137.2	81%	0.81	77%	0.769	S	S	*	*			trans	58.5	151.5	151.4	49.2	0	0	0	0	121.8
554	S	36.3	Very low	34	Very low	96 Å²	96	138.1 Å²	138.1	67%	0.671	77%	0.765	S	S	*	*			cis	-176.7	154.3	-18.7	54.9	0	0	0	0	114.1
555	S	35.9	Very low	33.9	Very low	115 Å²	115	140.3 Å²	140.3	80%	0.804	77%	0.766	S	S	*	*			trans	87.8	148.9	144.2	-58.7	0	0	0	0	124.2
556	A	35.9	Very low	33.9	Very low	94 Å²	94	141.3 Å²	141.3	78%	0.777	77%	0.771	S	S	*	*			trans	79.9	142.3	149.6	0	0	0	0	0	121.8
557	T	32.2	Very low	33.5	Very low	135 Å²	135	138.8 Å²	138.8	83%	0.828	77%	0.769	S	S	*	*			cis	-163.4	179.7	-37.8	-15.2	0	0	0	0	111
558	S	33.2	Very low	33.4	Very low	107 Å²	107	138.8 Å²	138.8	75%	0.748	77%	0.766	S	S	*	*			trans	83.5	119.2	167.8	-137.2	0	0	0	0	115.8
559	T	31.7	Very low	33.1	Very low	119 Å²	119	138.5 Å²	138.5	73%	0.73	76%	0.764	S	S	*	*			cis	80.5	109	14	-31.1	0	0	0	0	114.6
560	C	29	Very low	32.7	Very low	96 Å²	96	138.3 Å²	138.3	65%	0.649	77%	0.77	S	S	*	*				-178.1	170.4	84.2	45.4	0	0	0	0	108.9
561	Y	30.9	Very low	32.3	Very low	221 Å²	221	137.2 Å²	137.2	87%	0.867	77%	0.77	S	S	*	*			cis	-142.9	165	19.7	-90.2	-82.4	0	0	0	112.9
562	R	26.7	Very low	32.3	Very low	231 Å²	231	140.8 Å²	140.8	87%	0.872	77%	0.774	S	S	*	*			trans	-150.2	151.6	162.2	-175.7	-161.5	-87.9	-166.5	-5.1	108.9
563	R	32.2	Very low	32	Very low	207 Å²	207	141 Å²	141	78%	0.781	77%	0.771	S	S	*	*			trans	-136.5	131.3	158.3	-77.2	-157.1	110.1	154.8	4.8	107.7
564	E	30.3	Very low	31.9	Very low	135 Å²	135	142 Å²	142	63%	0.631	77%	0.767	S	S	*	*				74.8	137.1	69.4	-68.4	168.8	-172.4	0	0	111.8
565	E	31.7	Very low	31.7	Very low	182 Å²	182	145.6 Å²	145.6	85%	0.85	77%	0.773	S	S	*	*			cis	-100.9	-140.6	1	-64.8	-175.9	65	0	0	110.8
566	E	31.4	Very low	31.3	Very low	190 Å²	190	143.4 Å²	143.4	89%	0.888	77%	0.768	S	S	*	*			cis	-146.7	154.4	3.3	-65.8	173.4	71.5	0	0	110.5
567	E	26.9	Very low	31	Very low	168 Å²	168	148.2 Å²	148.2	79%	0.785	77%	0.772	S	S	*	*			trans	-166.2	150.4	167.4	-106.5	-84	160.3	0	0	105.9	S569	E567-S569 PolarHBondContact OE2-N 3.11Å
568	P	34.1	Very low	30.8	Very low	113 Å²	113	146.3 Å²	146.3	73%	0.734	77%	0.77	S	S	*	*				-156.6	139.7	81.1	40.2	-18.9	0	0	0	118.6
569	S	30.5	Very low	30.7	Very low	89 Å²	89	150.7 Å²	150.7	62%	0.622	78%	0.776	S	S	*	*			trans	58.6	128.1	132.6	75.6	0	0	0	0	122.7	E567	E567-S569 PolarHBondContact OE2-N 3.11Å
570	T	33.7	Very low	30.5	Very low	155 Å²	155	153.3 Å²	153.3	95%	0.951	78%	0.777	S	S	*	*				-165.9	163.6	122	11.1	0	0	0	0	110
571	A	31	Very low	30.4	Very low	82 Å²	82	155.4 Å²	155.4	68%	0.678	78%	0.779	S	S	*	*			trans	-132.5	147.2	-164	0	0	0	0	0	114.7
572	H	31.9	Very low	30.4	Very low	184 Å²	184	150.9 Å²	150.9	85%	0.852	78%	0.78	S	S	*	*			trans	-163.8	108	136.4	-96.5	-52.9	0	0	0	110
573	T	31.4	Very low	30.6	Very low	109 Å²	109	150.2 Å²	150.2	67%	0.669	78%	0.777	S	S	*	*				70.5	128.6	84.2	-27.2	0	0	0	0	116.7
574	Q	32.5	Very low	30.8	Very low	153 Å²	153	144.9 Å²	144.9	72%	0.715	77%	0.77	S	S	*	*			trans	107.8	126.2	152.8	-60.1	-150.8	43.3	0	0	120.3
575	Q	32.8	Very low	30.7	Very low	173 Å²	173	147.7 Å²	147.7	81%	0.808	78%	0.78	S	S	*	*			trans	60.3	128.9	152.1	-60.1	172.6	42.3	0	0	119.1
576	G	27.2	Very low	30.7	Very low	68 Å²	68	145.4 Å²	145.4	70%	0.701	78%	0.779	S	S	*	*			cis	126.8	86.4	-10.6	0	0	0	0	0	114.6
577	F	29.8	Very low	30.6	Very low	195 Å²	195	145.7 Å²	145.7	86%	0.855	78%	0.777	S	S	*	*			trans	-136.4	123.8	163.2	-93.3	-81.1	0	0	0	110.7	F579	F577-F579 HydrophobicContact CD1-CE2 4.36Å
578	A	29.1	Very low	30.8	Very low	95 Å²	95	143.9 Å²	143.9	79%	0.785	78%	0.777	S	S	*	*			trans	-128.6	106.9	173.5	0	0	0	0	0	108.9
579	F	30.4	Very low	30.7	Very low	200 Å²	200	145.7 Å²	145.7	88%	0.877	78%	0.779	S	S	*	*			trans	-78.1	127.3	172.4	-94.9	-87.4	0	0	0	110.5	F577	F577-F579 HydrophobicContact CD1-CE2 4.36Å
580	K	27.4	Very low	30.7	Very low	174 Å²	174	146.2 Å²	146.2	76%	0.757	79%	0.789	S	S	*	*			trans	-125.3	140.1	-171	-134.3	-178.2	-172.2	174.7	0	108.8
581	M	27.1	Very low	30.5	Very low	140 Å²	140	149.9 Å²	149.9	69%	0.69	79%	0.785	S	S	*	*			trans	61.3	122.4	162	-56.4	-65.3	179.1	0	0	118.3
582	S	30.1	Very low	30.7	Very low	126 Å²	126	151.5 Å²	151.5	88%	0.881	79%	0.789	S	S	*	*				-145.5	163.1	118.7	-88.5	0	0	0	0	111.1
583	R	32.4	Very low	31.2	Very low	216 Å²	216	146.6 Å²	146.6	82%	0.815	78%	0.775	S	S	*	*			trans	-158.5	166.3	-153.6	-116.5	-170.6	172.8	-165.6	1.1	107.6
584	P	36.4	Very low	32.7	Very low	96 Å²	96	149 Å²	149	62%	0.623	78%	0.783	S	S	*	*				-136.9	-151.8	-55.6	33.8	-11.6	0	0	0	110.1
585	K	28.2	Very low	34.6	Very low	193 Å²	193	144.8 Å²	144.8	84%	0.839	77%	0.765	S	S	*	*			trans	85.3	117.9	164.6	-49.5	168.5	-174.4	172.5	0	116.9
586	T	30.2	Very low	36.7	Very low	135 Å²	135	138 Å²	138	83%	0.828	74%	0.737	S	S	*	*				-149.2	151.7	108.5	-75.6	0	0	0	0	107.9
587	K	29.3	Very low	39.2	Very low	196 Å²	196	140.7 Å²	140.7	85%	0.852	74%	0.735	S	S	*	*			trans	-100.3	121.4	178.8	-68.4	-178.6	180	179.7	0	110.4
588	V	31.9	Very low	41.8	Very low	129 Å²	129	131.8 Å²	131.8	78%	0.782	70%	0.697	S	S	*	*			trans	-137	96.5	160.3	-172.7	0	0	0	0	104.4
589	I	32.6	Very low	44.4	Very low	151 Å²	151	127.3 Å²	127.3	77%	0.774	66%	0.661	S	S	*	*				56.9	113.8	86.3	-59.1	178	0	0	0	110.4
590	A	28.5	Very low	47.1	Very low	101 Å²	101	123.1 Å²	123.1	84%	0.835	65%	0.647	S	S	*	*			trans	-70.3	133.4	-170.2	0	0	0	0	0	112.8
591	R	30.5	Very low	49.9	Very low	231 Å²	231	116.9 Å²	116.9	87%	0.872	63%	0.625	S	S	*	*			trans	-115	148.7	148	-79.5	-179.1	166.7	177.2	-4.9	107.6	S593	R591-S593 PolarHBondContact O-N 3.29Å
592	P	35	Very low	52.8	Low	116 Å²	116	110.8 Å²	110.8	75%	0.753	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-56.9	134.7	160.7	-16.1	30.1	0	0	0	108.2	L594	P592-L594 PolarHBondContact O-N 2.92Å
593	S	43.6	Very low	55.7	Low	81 Å²	81	112.3 Å²	112.3	57%	0.566	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-68.3	119	171.9	55.4	0	0	0	0	108.8	R591 D640	R591-S593 PolarHBondContact O-N 3.29Å; S593-D640 WeakPolarHBondContact CB-OD2 3.28Å; S593-D640 PolarHBondContact OG-OD2 3.12Å
594	L	61.5	Low	58.4	Low	160 Å²	160	104.5 Å²	104.5	84%	0.838	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-76.2	121.7	168.5	-67.2	169.4	0	0	0	106.4	P592	P592-L594 PolarHBondContact O-N 2.92Å
595	L	73.4	Confident	61	Low	64 Å²	64	105.9 Å²	105.9	34%	0.335	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-54.4	143.1	169.6	-64.8	169.4	0	0	0	109	A599 L600 L639	L595-A599 HydrophobicContact CB-CB 4.05Å; L595-A599 HydrophobicContact CD2-CB 4.4Å; L595-L600 HydrophobicContact CB-CD2 3.86Å; L595-L600 HydrophobicContact CB-CG 3.98Å; L595-L600 HydrophobicContact CD1-CD2 3.88Å; L595-L600 HydrophobicContact CG-CD2 4.5Å; L595-L639 HydrophobicContact CD2-CB 3.62Å; L595-L639 HydrophobicContact CD2-CD1 3.91Å; L595-L639 HydrophobicContact CD2-CG 4.37Å
596	S	77.3	Confident	63.8	Low	30 Å²	30	104.7 Å²	104.7	21%	0.21	55%	0.549	C	S	.	.	P	Polyproline II helix	trans	-63.6	154.9	174.1	70.7	0	0	0	0	111.1	A598 A599 L600 V642	S596-A598 PolarHBondContact O-N 3.21Å; S596-A598 VanDerWaalsContact O-N 3.14Å; S596-A599 CarbonylContact O-C 3.6Å; S596-A599 WeakPolarHBondContact O-CA 3.48Å; S596-A599 WeakPolarHBondContact O-CB 3.46Å; S596-A599 PolarHBondContact O-N 3.22Å; S596-A599 PolarHBondContact OG-N 3.47Å; S596-A599 VanDerWaalsContact OG-N 3.11Å; S596-L600 PolarHBondContact O-N 2.61Å; S596-V642 PolarHBondContact OG-O 3.49Å
597	D	78.9	Confident	66.2	Low	126 Å²	126	100.3 Å²	100.3	67%	0.674	52%	0.521	S	S	*	.	H	α-helix	trans	-56.7	-32.6	176.7	-68.2	-28.1	0	0	0	112.2	L600 S601 H645	D597-L600 PolarHBondContact O-N 3Å; D597-S601 PolarHBondContact O-N 3.37Å; D597-H645 PolarHBondContact O-CE1 3.31Å
598	A	83.2	Confident	68.5	Low	7 Å²	7	102 Å²	102	6%	0.058	52%	0.522	C	S	.	.	H	α-helix	trans	-65.3	-46.4	171.5	0	0	0	0	0	111.8	S596 L600 S601 H602 V642	S596-A598 PolarHBondContact O-N 3.21Å; S596-A598 VanDerWaalsContact O-N 3.14Å; A598-L600 VanDerWaalsContact C-N 3.35Å; A598-L600 PolarHBondContact O-N 3.05Å; A598-S601 PolarHBondContact O-N 3.39Å; A598-S601 PolarHBondContact O-OG 2.96Å; A598-H602 PolarHBondContact O-CD2 3.02Å; A598-V642 HydrophobicContact CB-CG1 3.95Å
599	A	84.1	Confident	70.6	Confident	2 Å²	2	98.3 Å²	98.3	2%	0.017	51%	0.506	C	S	.	.	H	α-helix	trans	-60.7	-40	173.9	0	0	0	0	0	112.8	L595 S596 S601 H602 L639 V642	L595-A599 HydrophobicContact CB-CB 4.05Å; L595-A599 HydrophobicContact CD2-CB 4.4Å; S596-A599 CarbonylContact O-C 3.6Å; S596-A599 WeakPolarHBondContact O-CA 3.48Å; S596-A599 WeakPolarHBondContact O-CB 3.46Å; S596-A599 PolarHBondContact O-N 3.22Å; S596-A599 PolarHBondContact OG-N 3.47Å; S596-A599 VanDerWaalsContact OG-N 3.11Å; A599-S601 PolarHBondContact O-N 3.45Å; A599-H602 PolarHBondContact O-N 3.43Å; A599-H602 VanDerWaalsContact O-N 3.09Å; A599-L639 WeakPolarHBondContact CB-O 3.45Å; A599-V642 HydrophobicContact CB-CB 3.92Å; A599-V642 HydrophobicContact CB-CG1 4.42Å; A599-V642 HydrophobicContact CB-CG2 4.09Å
600	L	87.4	Confident	72.6	Confident	111 Å²	111	95 Å²	95	58%	0.581	49%	0.494	S	S	*	.	H	α-helix	trans	-62.7	-22.7	177.8	-70.7	174.6	0	0	0	113.2	L595 S596 D597 A598 H602	L595-L600 HydrophobicContact CB-CD2 3.86Å; L595-L600 HydrophobicContact CB-CG 3.98Å; L595-L600 HydrophobicContact CD1-CD2 3.88Å; L595-L600 HydrophobicContact CG-CD2 4.5Å; S596-L600 PolarHBondContact O-N 2.61Å; D597-L600 PolarHBondContact O-N 3Å; A598-L600 VanDerWaalsContact C-N 3.35Å; A598-L600 PolarHBondContact O-N 3.05Å; L600-H602 VanDerWaalsContact C-N 3.31Å; L600-H602 PolarHBondContact O-N 3.11Å
601	S	86.9	Confident	75	Confident	43 Å²	43	91.2 Å²	91.2	30%	0.301	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-9.2	174.9	75.9	0	0	0	0	114.8	D597 A598 A599 H645 C646	D597-S601 PolarHBondContact O-N 3.37Å; A598-S601 PolarHBondContact O-N 3.39Å; A598-S601 PolarHBondContact O-OG 2.96Å; A599-S601 PolarHBondContact O-N 3.45Å; S601-H645 VanDerWaalsContact OG-CA 3.29Å; S601-H645 WeakPolarHBondContact OG-CA 3.37Å; S601-H645 PolarHBondContact OG-ND1 3.27Å; S601-C646 WeakPolarHBondContact O-CB 3.35Å; S601-C646 PolarHBondContact OG-N 3.18Å
602	H	87.3	Confident	77.2	Confident	13 Å²	13	83 Å²	83	6%	0.06	43%	0.431	C	S	.	.	S	Bend	trans	-96.1	132.4	-178.2	-70.9	-80.4	0	0	0	112.6	A598 A599 L600 L604 C627 C630 W634 V644 C646	A598-H602 PolarHBondContact O-CD2 3.02Å; A599-H602 PolarHBondContact O-N 3.43Å; A599-H602 VanDerWaalsContact O-N 3.09Å; L600-H602 VanDerWaalsContact C-N 3.31Å; L600-H602 PolarHBondContact O-N 3.11Å; H602-L604 VanDerWaalsContact C-N 3.35Å; H602-L604 HydrophobicContact CB-CD2 3.92Å; H602-L604 HydrophobicContact CB-CG 4Å; H602-L604 PolarHBondContact O-N 2.89Å; H602-C627 HydrophobicContact CB-CB 3.95Å; H602-C627 PolarHBondContact ND1-SG 2.88Å; H602-C627 VanDerWaalsContact ND1-SG 3.36Å; H602-C630 PolarHBondContact CE1-SG 3.26Å; H602-C630 PolarHBondContact ND1-SG 3.21Å; H602-W634 AromaticContact CD2-CH2 3.91Å; H602-W634 AromaticContact CE1-CH2 3.61Å; H602-W634 AromaticContact CG-CH2 3.8Å; H602-W634 AromaticContact ND1-CH2 3.62Å; H602-W634 AromaticContact NE2-CH2 3.8Å; H602-V644 PolarHBondContact NE2-O 2.83Å; H602-C646 VanDerWaalsContact CE1-CA 3.4Å; H602-C646 WeakPolarHBondContact CE1-CA 3.38Å; H602-C646 WeakPolarHBondContact ND1-CB 3.45Å
603	R	90.9	Very high	79.5	Confident	157 Å²	157	77.5 Å²	77.5	59%	0.592	40%	0.395	S	S	*	.			trans	-78.8	81.2	172	-168.5	177.9	-53.9	-103.8	-3.4	110.9	C627 T628 E629	R603-C627 PolarHBondContact N-SG 3.11Å; R603-C627 VanDerWaalsContact N-SG 3.43Å; R603-C627 WeakPolarHBondContact O-CA 3.42Å; R603-T628 WeakPolarHBondContact CD-OG1 3.24Å; R603-T628 WeakPolarHBondContact CG-OG1 3.26Å; R603-T628 PolarHBondContact O-N 3.39Å; R603-T628 PolarHBondContact O-OG1 3.15Å; R603-E629 HydrophobicContact CB-CG 4.14Å; R603-E629 IonicContact CZ-OE1 3.21Å; R603-E629 VanDerWaalsContact CZ-OE1 3.27Å; R603-E629 IonicContact NE-OE1 3.35Å; R603-E629 PolarHBondContact NE-OE1 2.7Å; R603-E629 IonicContact NH2-OE1 2.76Å; R603-E629 PolarHBondContact NH2-OE1 3.17Å
604	L	90.1	Very high	81.3	Confident	52 Å²	52	74.4 Å²	74.4	27%	0.272	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	127.1	-172.6	-63	170	0	0	0	113.3	H602 V625 G626 C627 W634 L639	H602-L604 VanDerWaalsContact C-N 3.35Å; H602-L604 HydrophobicContact CB-CD2 3.92Å; H602-L604 HydrophobicContact CB-CG 4Å; H602-L604 PolarHBondContact O-N 2.89Å; L604-V625 HydrophobicContact CB-CB 4.39Å; L604-V625 HydrophobicContact CD1-CG2 4.38Å; L604-V625 HydrophobicContact CD2-CB 4.42Å; L604-V625 HydrophobicContact CD2-CG2 4.03Å; L604-G626 WeakPolarHBondContact CA-O 3.27Å; L604-C627 HydrophobicContact CD2-CB 4.4Å; L604-W634 HydrophobicContact CD2-CE3 3.78Å; L604-W634 HydrophobicContact CD2-CZ3 3.65Å; L604-L639 HydrophobicContact CD1-CD1 4.1Å; L604-L639 HydrophobicContact CD1-CD2 3.6Å; L604-L639 HydrophobicContact CD2-CD2 4.27Å
605	Q	89.6	Confident	82.1	Confident	126 Å²	126	69.5 Å²	69.5	59%	0.589	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	157.6	167.4	-75.8	-170.7	-3.7	0	0	111.4	V625 G626 T628	Q605-V625 CarbonylContact O-C 3.58Å; Q605-V625 WeakPolarHBondContact O-CA 3.32Å; Q605-V625 WeakPolarHBondContact O-CB 3.48Å; Q605-G626 PolarHBondContact N-O 3.36Å; Q605-G626 PolarHBondContact O-N 3.1Å; Q605-T628 HydrophobicContact CB-CG2 3.92Å; Q605-T628 VanDerWaalsContact CD-CG2 3.42Å; Q605-T628 HydrophobicContact CG-CG2 3.56Å
606	K	86.8	Confident	82.5	Confident	168 Å²	168	69 Å²	69	73%	0.73	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	120.7	179.1	-175.8	-177.4	179	-176.1	0	110.9
607	V	81.8	Confident	82.1	Confident	42 Å²	42	71.3 Å²	71.3	26%	0.255	36%	0.357	S	S	.	.			trans	-86.9	141	179.4	178.5	0	0	0	0	110.5	A609 T611 T624	V607-A609 HydrophobicContact CG1-CB 4.32Å; V607-T611 HydrophobicContact CG1-CG2 3.97Å; V607-T624 PolarHBondContact N-O 3.35Å
608	R	78.2	Confident	81.7	Confident	231 Å²	231	69 Å²	69	87%	0.872	35%	0.348	S	S	*	.			trans	-103.6	-12.1	179.2	-72.4	178.8	170.3	167.5	-6.4	113.8
609	A	74.4	Confident	81.4	Confident	53 Å²	53	75.3 Å²	75.3	44%	0.438	37%	0.371	S	S	.	.	S	Bend	trans	-92.9	150.1	177.3	0	0	0	0	0	111.6	V607 T611	V607-A609 HydrophobicContact CG1-CB 4.32Å; A609-T611 PolarHBondContact O-N 2.85Å; A609-T611 VanDerWaalsContact O-N 3.15Å; A609-T611 PolarHBondContact O-OG1 3.14Å; A609-T611 VanDerWaalsContact O-OG1 3.06Å
610	P	75.5	Confident	80.3	Confident	80 Å²	80	75.5 Å²	75.5	52%	0.519	37%	0.372	S	S	.	.			trans	-58.4	118.6	172.8	-21.2	33	0	0	0	110.6	T620 F621	P610-T620 WeakPolarHBondContact CA-O 3.35Å; P610-F621 HydrophobicContact CB-CD1 3.83Å; P610-F621 HydrophobicContact CB-CE1 3.9Å; P610-F621 HydrophobicContact CG-CD1 3.82Å; P610-F621 HydrophobicContact CG-CE1 4.07Å
611	T	77.8	Confident	79.3	Confident	22 Å²	22	76.6 Å²	76.6	14%	0.135	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147.1	-172.5	31.5	0	0	0	0	111.5	V607 A609 T620 T624	V607-T611 HydrophobicContact CG1-CG2 3.97Å; A609-T611 PolarHBondContact O-N 2.85Å; A609-T611 VanDerWaalsContact O-N 3.15Å; A609-T611 PolarHBondContact O-OG1 3.14Å; A609-T611 VanDerWaalsContact O-OG1 3.06Å; T611-T620 PolarHBondContact N-O 3.23Å; T611-T620 VanDerWaalsContact N-O 3.1Å; T611-T620 PolarHBondContact O-N 2.86Å; T611-T620 PolarHBondContact O-OG1 3.11Å; T611-T624 WeakPolarHBondContact OG1-CG2 3.48Å; T611-T624 PolarHBondContact OG1-OG1 2.88Å
612	K	78	Confident	78.3	Confident	60 Å²	60	82.8 Å²	82.8	26%	0.261	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128.8	-177.5	-151.5	-177.9	-169.7	-145.4	0	109.4	C614 D617 Y619	K612-C614 PolarHBondContact O-N 3.32Å; K612-D617 WeakPolarHBondContact CD-OD1 3.2Å; K612-D617 WeakPolarHBondContact CE-O 3.45Å; K612-D617 WeakPolarHBondContact CE-OD1 3.3Å; K612-D617 WeakPolarHBondContact CE-OD2 3.26Å; K612-D617 WeakPolarHBondContact CG-O 3.47Å; K612-D617 IonicContact NZ-OD1 2.8Å; K612-D617 PolarHBondContact NZ-OD1 3.21Å; K612-D617 IonicContact NZ-OD2 2.67Å; K612-D617 PolarHBondContact NZ-OD2 3.07Å; K612-Y619 HydrophobicContact CB-CD1 4.25Å; K612-Y619 HydrophobicContact CB-CD2 4.48Å; K612-Y619 HydrophobicContact CB-CE1 3.98Å; K612-Y619 HydrophobicContact CB-CE2 4.22Å; K612-Y619 HydrophobicContact CB-CG 4.5Å; K612-Y619 HydrophobicContact CD-CD2 4.42Å; K612-Y619 HydrophobicContact CD-CE2 3.78Å; K612-Y619 HydrophobicContact CG-CD2 3.95Å; K612-Y619 HydrophobicContact CG-CE1 4.42Å; K612-Y619 HydrophobicContact CG-CE2 3.76Å; K612-Y619 HydrophobicContact CG-CG 4.37Å
613	C	83.3	Confident	77.8	Confident	0 Å²	0	88.7 Å²	88.7	0%	0	42%	0.422	C	S	.	.			trans	-80.3	116.5	-179.4	171.1	0	0	0	0	111.1	H615 C616 D617 T618 N633 H635	C613-H615 PolarHBondContact O-N 2.94Å; C613-C616 PolarHBondContact O-N 3.05Å; C613-D617 WeakPolarHBondContact O-CA 3.37Å; C613-D617 PolarHBondContact O-N 3.12Å; C613-T618 PolarHBondContact N-O 3.45Å; C613-N633 CarbonylContact C-O 3.55Å; C613-N633 WeakPolarHBondContact CA-O 3.3Å; C613-H635 WeakPolarHBondContact CB-ND1 3.16Å; C613-H635 PolarHBondContact SG-N 3.12Å; C613-H635 PolarHBondContact SG-ND1 2.98Å
614	C	80	Confident	77.3	Confident	16 Å²	16	81.3 Å²	81.3	11%	0.108	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	5.3	-176.5	64.9	0	0	0	0	115.6	K612 L632 N633 W634 H656	K612-C614 PolarHBondContact O-N 3.32Å; C614-L632 HydrophobicContact CB-CD2 4.16Å; C614-N633 PolarHBondContact N-O 2.93Å; C614-N633 PolarHBondContact SG-O 3.15Å; C614-W634 PolarHBondContact SG-NE1 2.89Å; C614-H656 VanDerWaalsContact CB-O 3.29Å; C614-H656 WeakPolarHBondContact CB-O 3.45Å
615	H	79.1	Confident	77.3	Confident	56 Å²	56	80 Å²	80	26%	0.259	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-47.1	171.4	173	71.2	0	0	0	113	C613 C638 S641 R658	C613-H615 PolarHBondContact O-N 2.94Å; H615-C638 HydrophobicContact CB-CB 3.91Å; H615-S641 WeakPolarHBondContact CE1-CB 3.1Å; H615-S641 WeakPolarHBondContact ND1-CB 3.43Å; H615-S641 WeakPolarHBondContact NE2-CB 3.23Å; H615-R658 PolarHBondContact ND1-NH1 2.9Å; H615-R658 PolarHBondContact ND1-NH2 3.02Å
616	C	81.1	Confident	77.2	Confident	53 Å²	53	74.3 Å²	74.3	36%	0.358	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	8.3	-175.5	67.3	0	0	0	0	113.8	C613 T618 H635	C613-C616 PolarHBondContact O-N 3.05Å; C616-T618 PolarHBondContact O-N 3.42Å; C616-T618 PolarHBondContact O-OG1 2.64Å; C616-T618 PolarHBondContact SG-OG1 3.25Å; C616-H635 PolarHBondContact SG-CE1 3.49Å; C616-H635 PolarHBondContact SG-ND1 3.47Å; C616-H635 VanDerWaalsContact SG-ND1 3.37Å
617	D	69.2	Low	77.4	Confident	80 Å²	80	66.5 Å²	66.5	43%	0.428	33%	0.33	S	S	.	.			trans	55.8	13.9	174.7	-151.1	43	0	0	0	116.1	K612 C613	K612-D617 WeakPolarHBondContact CD-OD1 3.2Å; K612-D617 WeakPolarHBondContact CE-O 3.45Å; K612-D617 WeakPolarHBondContact CE-OD1 3.3Å; K612-D617 WeakPolarHBondContact CE-OD2 3.26Å; K612-D617 WeakPolarHBondContact CG-O 3.47Å; K612-D617 IonicContact NZ-OD1 2.8Å; K612-D617 PolarHBondContact NZ-OD1 3.21Å; K612-D617 IonicContact NZ-OD2 2.67Å; K612-D617 PolarHBondContact NZ-OD2 3.07Å; C613-D617 WeakPolarHBondContact O-CA 3.37Å; C613-D617 PolarHBondContact O-N 3.12Å
618	T	71	Confident	77.7	Confident	76 Å²	76	67.8 Å²	67.8	47%	0.466	34%	0.338	S	S	.	.			trans	-90.3	144.5	179.3	-19.5	0	0	0	0	111.2	C613 C616	C613-T618 PolarHBondContact N-O 3.45Å; C616-T618 PolarHBondContact O-N 3.42Å; C616-T618 PolarHBondContact O-OG1 2.64Å; C616-T618 PolarHBondContact SG-OG1 3.25Å
619	Y	76	Confident	77.9	Confident	140 Å²	140	60.3 Å²	60.3	55%	0.549	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	135.1	173.6	-84.8	-89.4	0	0	0	112.1	K612	K612-Y619 HydrophobicContact CB-CD1 4.25Å; K612-Y619 HydrophobicContact CB-CD2 4.48Å; K612-Y619 HydrophobicContact CB-CE1 3.98Å; K612-Y619 HydrophobicContact CB-CE2 4.22Å; K612-Y619 HydrophobicContact CB-CG 4.5Å; K612-Y619 HydrophobicContact CD-CD2 4.42Å; K612-Y619 HydrophobicContact CD-CE2 3.78Å; K612-Y619 HydrophobicContact CG-CD2 3.95Å; K612-Y619 HydrophobicContact CG-CE1 4.42Å; K612-Y619 HydrophobicContact CG-CE2 3.76Å; K612-Y619 HydrophobicContact CG-CG 4.37Å
620	T	62.3	Low	78.3	Confident	7 Å²	7	58.9 Å²	58.9	4%	0.043	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.9	172.8	41.2	0	0	0	0	110.2	P610 T611 T624 H635	P610-T620 WeakPolarHBondContact CA-O 3.35Å; T611-T620 PolarHBondContact N-O 3.23Å; T611-T620 VanDerWaalsContact N-O 3.1Å; T611-T620 PolarHBondContact O-N 2.86Å; T611-T620 PolarHBondContact O-OG1 3.11Å; T620-T624 VanDerWaalsContact CB-OG1 3.29Å; T620-T624 WeakPolarHBondContact CB-OG1 3.38Å; T620-T624 WeakPolarHBondContact OG1-CB 3.43Å; T620-T624 WeakPolarHBondContact OG1-CG2 3.27Å; T620-T624 PolarHBondContact OG1-OG1 3.19Å; T620-H635 WeakPolarHBondContact CG2-CD2 3.49Å; T620-H635 WeakPolarHBondContact CG2-NE2 3.1Å
621	F	65.3	Low	78.7	Confident	134 Å²	134	57.2 Å²	57.2	59%	0.588	30%	0.297	S	S	*	.	S	Bend	trans	-85.5	-20.7	166.7	-60.3	-86.1	0	0	0	111.4	P610	P610-F621 HydrophobicContact CB-CD1 3.83Å; P610-F621 HydrophobicContact CB-CE1 3.9Å; P610-F621 HydrophobicContact CG-CD1 3.82Å; P610-F621 HydrophobicContact CG-CE1 4.07Å
622	F	65.7	Low	79	Confident	172 Å²	172	56.5 Å²	56.5	75%	0.754	29%	0.292	S	S	*	.	S	Bend	trans	-144.8	155.2	-178.6	-51.6	-73.4	0	0	0	110.7	T624	F622-T624 VanDerWaalsContact C-N 3.32Å; F622-T624 PolarHBondContact O-N 3.08Å
623	Q	77.3	Confident	79.5	Confident	138 Å²	138	54.4 Å²	54.4	65%	0.645	28%	0.284	S	S	*	.	S	Bend	trans	65.6	20	177.3	-48.3	-168.4	19.3	0	0	116.8	K636	Q623-K636 PolarHBondContact O-N 3.13Å
624	T	81.5	Confident	79.7	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.012	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	146.4	167.4	-13.6	0	0	0	0	112.3	V607 T611 T620 F622 N633 W634	V607-T624 PolarHBondContact N-O 3.35Å; T611-T624 WeakPolarHBondContact OG1-CG2 3.48Å; T611-T624 PolarHBondContact OG1-OG1 2.88Å; T620-T624 VanDerWaalsContact CB-OG1 3.29Å; T620-T624 WeakPolarHBondContact CB-OG1 3.38Å; T620-T624 WeakPolarHBondContact OG1-CB 3.43Å; T620-T624 WeakPolarHBondContact OG1-CG2 3.27Å; T620-T624 PolarHBondContact OG1-OG1 3.19Å; F622-T624 VanDerWaalsContact C-N 3.32Å; F622-T624 PolarHBondContact O-N 3.08Å; T624-N633 HydrophobicContact CG2-CB 4.15Å; T624-W634 CarbonylContact C-O 3.53Å; T624-W634 WeakPolarHBondContact CA-O 3.4Å; T624-W634 VanDerWaalsContact CG2-O 3.24Å; T624-W634 WeakPolarHBondContact CG2-O 3.33Å
625	V	88.8	Confident	80.1	Confident	24 Å²	24	56 Å²	56	15%	0.145	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.3	160.8	-67.1	0	0	0	0	110	L604 Q605 N633 W634 L639	L604-V625 HydrophobicContact CB-CB 4.39Å; L604-V625 HydrophobicContact CD1-CG2 4.38Å; L604-V625 HydrophobicContact CD2-CB 4.42Å; L604-V625 HydrophobicContact CD2-CG2 4.03Å; Q605-V625 CarbonylContact O-C 3.58Å; Q605-V625 WeakPolarHBondContact O-CA 3.32Å; Q605-V625 WeakPolarHBondContact O-CB 3.48Å; V625-N633 CarbonylContact O-C 3.49Å; V625-N633 WeakPolarHBondContact O-CA 3.35Å; V625-W634 PolarHBondContact N-O 3.4Å; V625-W634 PolarHBondContact O-N 2.98Å; V625-L639 HydrophobicContact CG2-CD1 3.92Å; V625-L639 HydrophobicContact CG2-CD2 3.76Å; V625-L639 HydrophobicContact CG2-CG 4.12Å
626	G	88.6	Confident	80.5	Confident	7 Å²	7	60.1 Å²	60.1	7%	0.072	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142.6	177.3	0	0	0	0	0	111	L604 Q605 L632 N633	L604-G626 WeakPolarHBondContact CA-O 3.27Å; Q605-G626 PolarHBondContact N-O 3.36Å; Q605-G626 PolarHBondContact O-N 3.1Å; G626-L632 CarbonylContact C-O 3.58Å; G626-L632 VanDerWaalsContact CA-O 3.23Å; G626-L632 WeakPolarHBondContact CA-O 3.23Å; G626-N633 VanDerWaalsContact CA-OD1 3.24Å; G626-N633 WeakPolarHBondContact CA-OD1 3.49Å
627	C	89.6	Confident	80.8	Confident	4 Å²	4	62.6 Å²	62.6	3%	0.027	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	122.1	173.6	-177.8	0	0	0	0	110.3	H602 R603 L604 E629 G631 L632 W634 C646	H602-C627 HydrophobicContact CB-CB 3.95Å; H602-C627 PolarHBondContact ND1-SG 2.88Å; H602-C627 VanDerWaalsContact ND1-SG 3.36Å; R603-C627 PolarHBondContact N-SG 3.11Å; R603-C627 VanDerWaalsContact N-SG 3.43Å; R603-C627 WeakPolarHBondContact O-CA 3.42Å; L604-C627 HydrophobicContact CD2-CB 4.4Å; C627-E629 PolarHBondContact O-N 2.96Å; C627-E629 PolarHBondContact SG-N 3.19Å; C627-G631 WeakPolarHBondContact O-CA 3.46Å; C627-G631 PolarHBondContact O-N 2.9Å; C627-L632 PolarHBondContact N-O 3.19Å; C627-W634 HydrophobicContact CB-CH2 4.36Å; C627-W634 HydrophobicContact CB-CZ3 3.97Å; C627-C646 PolarHBondContact SG-SG 3.32Å
628	T	88.1	Confident	81.7	Confident	69 Å²	69	59.4 Å²	59.4	42%	0.423	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-8.2	179.4	65.2	0	0	0	0	113.8	R603 Q605	R603-T628 WeakPolarHBondContact CD-OG1 3.24Å; R603-T628 WeakPolarHBondContact CG-OG1 3.26Å; R603-T628 PolarHBondContact O-N 3.39Å; R603-T628 PolarHBondContact O-OG1 3.15Å; Q605-T628 HydrophobicContact CB-CG2 3.92Å; Q605-T628 VanDerWaalsContact CD-CG2 3.42Å; Q605-T628 HydrophobicContact CG-CG2 3.56Å
629	E	83.3	Confident	82.4	Confident	73 Å²	73	56.3 Å²	56.3	34%	0.341	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-24.6	-177.4	-68.8	-171.1	-143.9	0	0	114	R603 C627 K650	R603-E629 HydrophobicContact CB-CG 4.14Å; R603-E629 IonicContact CZ-OE1 3.21Å; R603-E629 VanDerWaalsContact CZ-OE1 3.27Å; R603-E629 IonicContact NE-OE1 3.35Å; R603-E629 PolarHBondContact NE-OE1 2.7Å; R603-E629 IonicContact NH2-OE1 2.76Å; R603-E629 PolarHBondContact NH2-OE1 3.17Å; C627-E629 PolarHBondContact O-N 2.96Å; C627-E629 PolarHBondContact SG-N 3.19Å; E629-K650 VanDerWaalsContact O-CD 3.23Å; E629-K650 WeakPolarHBondContact O-CD 3.41Å; E629-K650 VanDerWaalsContact O-CE 3.27Å; E629-K650 WeakPolarHBondContact O-CE 3.29Å; E629-K650 WeakPolarHBondContact O-CG 3.41Å
630	C	82.6	Confident	82.7	Confident	24 Å²	24	53.1 Å²	53.1	16%	0.162	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.2	1.6	175.8	75	0	0	0	0	115.1	H602 L632 A649 K650	H602-C630 PolarHBondContact CE1-SG 3.26Å; H602-C630 PolarHBondContact ND1-SG 3.21Å; C630-L632 PolarHBondContact O-N 3.37Å; C630-A649 HydrophobicContact CB-CB 3.9Å; C630-K650 HydrophobicContact CB-CB 4.13Å
631	G	83.4	Confident	83.7	Confident	44 Å²	44	55.2 Å²	55.2	45%	0.454	29%	0.292	S	S	.	.			trans	72.7	-6.7	173.5	0	0	0	0	0	116.9	C627 N633	C627-G631 WeakPolarHBondContact O-CA 3.46Å; C627-G631 PolarHBondContact O-N 2.9Å; G631-N633 PolarHBondContact O-ND2 2.94Å; G631-N633 VanDerWaalsContact O-ND2 3.16Å
632	L	85.5	Confident	84.4	Confident	8 Å²	8	49.3 Å²	49.3	4%	0.042	27%	0.267	C	S	.	.			trans	-66.4	147.4	177.9	-72.9	-179.9	0	0	0	112.7	C614 G626 C627 C630 W634 A649 L654	C614-L632 HydrophobicContact CB-CD2 4.16Å; G626-L632 CarbonylContact C-O 3.58Å; G626-L632 VanDerWaalsContact CA-O 3.23Å; G626-L632 WeakPolarHBondContact CA-O 3.23Å; C627-L632 PolarHBondContact N-O 3.19Å; C630-L632 PolarHBondContact O-N 3.37Å; L632-W634 HydrophobicContact CB-CH2 3.36Å; L632-W634 HydrophobicContact CB-CZ2 3.73Å; L632-W634 HydrophobicContact CB-CZ3 3.86Å; L632-W634 HydrophobicContact CD1-CH2 4.13Å; L632-W634 HydrophobicContact CD1-CZ2 3.98Å; L632-W634 HydrophobicContact CG-CH2 4.41Å; L632-W634 VanDerWaalsContact O-CZ3 3.27Å; L632-W634 WeakPolarHBondContact O-CZ3 3.24Å; L632-A649 HydrophobicContact CD1-CB 3.9Å; L632-L654 WeakPolarHBondContact CD2-O 3.4Å
633	N	87.6	Confident	85.2	Confident	15 Å²	15	46 Å²	46	8%	0.08	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141	-174.7	-65.3	-71.4	0	0	0	112.6	C613 C614 T624 V625 G626 G631	C613-N633 CarbonylContact C-O 3.55Å; C613-N633 WeakPolarHBondContact CA-O 3.3Å; C614-N633 PolarHBondContact N-O 2.93Å; C614-N633 PolarHBondContact SG-O 3.15Å; T624-N633 HydrophobicContact CG2-CB 4.15Å; V625-N633 CarbonylContact O-C 3.49Å; V625-N633 WeakPolarHBondContact O-CA 3.35Å; G626-N633 VanDerWaalsContact CA-OD1 3.24Å; G626-N633 WeakPolarHBondContact CA-OD1 3.49Å; G631-N633 PolarHBondContact O-ND2 2.94Å; G631-N633 VanDerWaalsContact O-ND2 3.16Å
634	W	88.6	Confident	85.1	Confident	9 Å²	9	41 Å²	41	3%	0.034	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148.5	177.6	-58.7	-92.1	0	0	0	112.8	H602 L604 C614 T624 V625 C627 L632 L639 V642	H602-W634 AromaticContact CD2-CH2 3.91Å; H602-W634 AromaticContact CE1-CH2 3.61Å; H602-W634 AromaticContact CG-CH2 3.8Å; H602-W634 AromaticContact ND1-CH2 3.62Å; H602-W634 AromaticContact NE2-CH2 3.8Å; L604-W634 HydrophobicContact CD2-CE3 3.78Å; L604-W634 HydrophobicContact CD2-CZ3 3.65Å; C614-W634 PolarHBondContact SG-NE1 2.89Å; T624-W634 CarbonylContact C-O 3.53Å; T624-W634 WeakPolarHBondContact CA-O 3.4Å; T624-W634 VanDerWaalsContact CG2-O 3.24Å; T624-W634 WeakPolarHBondContact CG2-O 3.33Å; V625-W634 PolarHBondContact N-O 3.4Å; V625-W634 PolarHBondContact O-N 2.98Å; C627-W634 HydrophobicContact CB-CH2 4.36Å; C627-W634 HydrophobicContact CB-CZ3 3.97Å; L632-W634 HydrophobicContact CB-CH2 3.36Å; L632-W634 HydrophobicContact CB-CZ2 3.73Å; L632-W634 HydrophobicContact CB-CZ3 3.86Å; L632-W634 HydrophobicContact CD1-CH2 4.13Å; L632-W634 HydrophobicContact CD1-CZ2 3.98Å; L632-W634 HydrophobicContact CG-CH2 4.41Å; L632-W634 VanDerWaalsContact O-CZ3 3.27Å; L632-W634 WeakPolarHBondContact O-CZ3 3.24Å; W634-L639 HydrophobicContact CB-CD2 3.96Å; W634-L639 HydrophobicContact CD2-CD2 4.34Å; W634-L639 HydrophobicContact CE3-CD2 4.35Å; W634-L639 HydrophobicContact CG-CD2 4.21Å; W634-V642 HydrophobicContact CD2-CG2 4.24Å; W634-V642 HydrophobicContact CG-CG2 4.29Å; W634-V642 HydrophobicContact CZ2-CG1 4.23Å; W634-V642 HydrophobicContact CZ2-CG2 4.25Å
635	H	88.2	Confident	85.2	Confident	41 Å²	41	45 Å²	45	19%	0.19	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	145.1	154.4	-64.9	83.6	0	0	0	108.7	C613 C616 T620 T637 C638	C613-H635 WeakPolarHBondContact CB-ND1 3.16Å; C613-H635 PolarHBondContact SG-N 3.12Å; C613-H635 PolarHBondContact SG-ND1 2.98Å; C616-H635 PolarHBondContact SG-CE1 3.49Å; C616-H635 PolarHBondContact SG-ND1 3.47Å; C616-H635 VanDerWaalsContact SG-ND1 3.37Å; T620-H635 WeakPolarHBondContact CG2-CD2 3.49Å; T620-H635 WeakPolarHBondContact CG2-NE2 3.1Å; H635-T637 WeakPolarHBondContact CB-OG1 3.48Å; H635-T637 PolarHBondContact O-N 3.45Å; H635-T637 VanDerWaalsContact O-N 3.12Å; H635-C638 HydrophobicContact CB-CB 4.06Å; H635-C638 PolarHBondContact O-N 3.22Å
636	K	87.5	Confident	85	Confident	142 Å²	142	44.1 Å²	44.1	62%	0.617	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-54.8	-30.5	169	-171.2	174.3	179.4	-178.8	0	113	Q623 C638 L639	Q623-K636 PolarHBondContact O-N 3.13Å; K636-C638 VanDerWaalsContact C-N 3.33Å; K636-L639 HydrophobicContact CG-CD1 4.38Å
637	T	87.3	Confident	84.4	Confident	106 Å²	106	47.7 Å²	47.7	65%	0.65	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-78.9	-6.5	175.7	48.8	0	0	0	0	115	H635	H635-T637 WeakPolarHBondContact CB-OG1 3.48Å; H635-T637 PolarHBondContact O-N 3.45Å; H635-T637 VanDerWaalsContact O-N 3.12Å
638	C	86.9	Confident	83.7	Confident	12 Å²	12	50.4 Å²	50.4	8%	0.081	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-108.2	1.3	178.9	-63.8	0	0	0	0	113.1	H615 H635 K636 D640 S641	H615-C638 HydrophobicContact CB-CB 3.91Å; H635-C638 HydrophobicContact CB-CB 4.06Å; H635-C638 PolarHBondContact O-N 3.22Å; K636-C638 VanDerWaalsContact C-N 3.33Å; C638-D640 VanDerWaalsContact C-N 3.34Å; C638-S641 PolarHBondContact O-N 2.95Å
639	L	86.8	Confident	82.9	Confident	12 Å²	12	47.1 Å²	47.1	6%	0.063	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-65.5	-37.4	177.6	-71.4	174.8	0	0	0	112.6	L595 A599 L604 V625 W634 K636 S641 V642	L595-L639 HydrophobicContact CD2-CB 3.62Å; L595-L639 HydrophobicContact CD2-CD1 3.91Å; L595-L639 HydrophobicContact CD2-CG 4.37Å; A599-L639 WeakPolarHBondContact CB-O 3.45Å; L604-L639 HydrophobicContact CD1-CD1 4.1Å; L604-L639 HydrophobicContact CD1-CD2 3.6Å; L604-L639 HydrophobicContact CD2-CD2 4.27Å; V625-L639 HydrophobicContact CG2-CD1 3.92Å; V625-L639 HydrophobicContact CG2-CD2 3.76Å; V625-L639 HydrophobicContact CG2-CG 4.12Å; W634-L639 HydrophobicContact CB-CD2 3.96Å; W634-L639 HydrophobicContact CD2-CD2 4.34Å; W634-L639 HydrophobicContact CE3-CD2 4.35Å; W634-L639 HydrophobicContact CG-CD2 4.21Å; K636-L639 HydrophobicContact CG-CD1 4.38Å; L639-S641 PolarHBondContact O-N 3.44Å; L639-S641 VanDerWaalsContact O-N 3.07Å; L639-V642 HydrophobicContact CD2-CG2 4.44Å; L639-V642 VanDerWaalsContact O-CG2 3.26Å; L639-V642 WeakPolarHBondContact O-CG2 3.5Å; L639-V642 PolarHBondContact O-N 2.97Å; L639-V642 VanDerWaalsContact O-N 3.15Å
640	D	82.2	Confident	82.4	Confident	72 Å²	72	49.4 Å²	49.4	39%	0.385	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-63.1	-16.7	178.2	-53.7	-9.3	0	0	0	111.8	S593 C638	S593-D640 WeakPolarHBondContact CB-OD2 3.28Å; S593-D640 PolarHBondContact OG-OD2 3.12Å; C638-D640 VanDerWaalsContact C-N 3.34Å
641	S	82.2	Confident	81.7	Confident	52 Å²	52	55.8 Å²	55.8	36%	0.364	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-105.8	13	-179.8	-49.9	0	0	0	0	114.5	H615 C638 L639 R658	H615-S641 WeakPolarHBondContact CE1-CB 3.1Å; H615-S641 WeakPolarHBondContact ND1-CB 3.43Å; H615-S641 WeakPolarHBondContact NE2-CB 3.23Å; C638-S641 PolarHBondContact O-N 2.95Å; L639-S641 PolarHBondContact O-N 3.44Å; L639-S641 VanDerWaalsContact O-N 3.07Å; S641-R658 PolarHBondContact O-NH2 2.94Å; S641-R658 VanDerWaalsContact O-NH2 3.14Å
642	V	81.8	Confident	80.4	Confident	10 Å²	10	56.3 Å²	56.3	6%	0.061	30%	0.295	C	S	.	.			trans	-72.9	132.6	175.1	179.1	0	0	0	0	109.5	S596 A598 A599 W634 L639	S596-V642 PolarHBondContact OG-O 3.49Å; A598-V642 HydrophobicContact CB-CG1 3.95Å; A599-V642 HydrophobicContact CB-CB 3.92Å; A599-V642 HydrophobicContact CB-CG1 4.42Å; A599-V642 HydrophobicContact CB-CG2 4.09Å; W634-V642 HydrophobicContact CD2-CG2 4.24Å; W634-V642 HydrophobicContact CG-CG2 4.29Å; W634-V642 HydrophobicContact CZ2-CG1 4.23Å; W634-V642 HydrophobicContact CZ2-CG2 4.25Å; L639-V642 HydrophobicContact CD2-CG2 4.44Å; L639-V642 VanDerWaalsContact O-CG2 3.26Å; L639-V642 WeakPolarHBondContact O-CG2 3.5Å; L639-V642 PolarHBondContact O-N 2.97Å; L639-V642 VanDerWaalsContact O-N 3.15Å
643	N	81.4	Confident	79.1	Confident	103 Å²	103	64 Å²	64	55%	0.551	33%	0.328	S	S	*	.			trans	-131.5	15.5	-177.4	68.1	-57.2	0	0	0	113.6	R658	N643-R658 PolarHBondContact OD1-NE 3.47Å; N643-R658 VanDerWaalsContact OD1-NE 3.08Å; N643-R658 PolarHBondContact OD1-NH2 3.25Å
644	V	75.8	Confident	77.4	Confident	32 Å²	32	64.5 Å²	64.5	19%	0.194	33%	0.33	C	S	.	.	S	Bend	trans	-130.4	126.2	179.2	-175.5	0	0	0	0	109.3	H602 L648 A649 L654	H602-V644 PolarHBondContact NE2-O 2.83Å; V644-L648 HydrophobicContact CG1-CD2 4.42Å; V644-A649 HydrophobicContact CG1-CB 4.12Å; V644-L654 HydrophobicContact CG1-CD1 3.84Å
645	H	83.6	Confident	75.5	Confident	86 Å²	86	70.9 Å²	70.9	40%	0.398	37%	0.366	S	S	.	.			trans	-75.1	149.8	178.1	-75.5	-93.6	0	0	0	112.5	D597 S601 S647 L648 A649	D597-H645 PolarHBondContact O-CE1 3.31Å; S601-H645 VanDerWaalsContact OG-CA 3.29Å; S601-H645 WeakPolarHBondContact OG-CA 3.37Å; S601-H645 PolarHBondContact OG-ND1 3.27Å; H645-S647 PolarHBondContact O-N 2.99Å; H645-L648 PolarHBondContact O-N 2.61Å; H645-A649 PolarHBondContact O-N 3.47Å
646	C	83.5	Confident	73.8	Confident	5 Å²	5	72.5 Å²	72.5	3%	0.034	37%	0.373	C	S	.	.	H	α-helix	trans	-62.4	-37.2	-175	-171.6	0	0	0	0	114	S601 H602 C627 A649 K650	S601-C646 WeakPolarHBondContact O-CB 3.35Å; S601-C646 PolarHBondContact OG-N 3.18Å; H602-C646 VanDerWaalsContact CE1-CA 3.4Å; H602-C646 WeakPolarHBondContact CE1-CA 3.38Å; H602-C646 WeakPolarHBondContact ND1-CB 3.45Å; C627-C646 PolarHBondContact SG-SG 3.32Å; C646-A649 PolarHBondContact O-N 2.93Å; C646-K650 VanDerWaalsContact O-CB 3.24Å; C646-K650 WeakPolarHBondContact O-CB 3.48Å; C646-K650 PolarHBondContact O-N 3.04Å
647	S	77	Confident	72.1	Confident	82 Å²	82	70.7 Å²	70.7	57%	0.573	36%	0.362	S	S	*	.	H	α-helix	trans	-57.5	-50.7	174.8	46	0	0	0	0	111.7	H645 K650 Q651	H645-S647 PolarHBondContact O-N 2.99Å; S647-K650 PolarHBondContact O-N 3.06Å; S647-Q651 PolarHBondContact O-N 3.42Å
648	L	74.3	Confident	70.4	Confident	61 Å²	61	71 Å²	71	32%	0.319	35%	0.351	S	S	.	.	H	α-helix	trans	-65.3	-43.2	178.1	-175.2	63.8	0	0	0	111.9	V644 H645 K650 Q651 L652	V644-L648 HydrophobicContact CG1-CD2 4.42Å; H645-L648 PolarHBondContact O-N 2.61Å; L648-K650 VanDerWaalsContact C-N 3.26Å; L648-K650 PolarHBondContact O-N 2.92Å; L648-Q651 PolarHBondContact O-N 3.48Å; L648-L652 HydrophobicContact CD1-CD1 3.68Å; L648-L652 HydrophobicContact CD1-CG 4Å; L648-L652 HydrophobicContact CG-CD1 3.91Å; L648-L652 HydrophobicContact CG-CG 4.47Å; L648-L652 WeakPolarHBondContact O-CB 3.4Å; L648-L652 WeakPolarHBondContact O-CG 3.46Å; L648-L652 PolarHBondContact O-N 2.94Å
649	A	72.4	Confident	69.2	Low	1 Å²	1	72 Å²	72	1%	0.008	36%	0.357	C	S	.	.	H	α-helix	trans	-61.9	-34.5	177.2	0	0	0	0	0	112.8	C630 L632 V644 H645 C646 K653 L654	C630-A649 HydrophobicContact CB-CB 3.9Å; L632-A649 HydrophobicContact CD1-CB 3.9Å; V644-A649 HydrophobicContact CG1-CB 4.12Å; H645-A649 PolarHBondContact O-N 3.47Å; C646-A649 PolarHBondContact O-N 2.93Å; A649-K653 PolarHBondContact O-N 3.02Å; A649-L654 HydrophobicContact CB-CD1 4.11Å; A649-L654 PolarHBondContact O-N 3.47Å
650	K	72.3	Confident	68.5	Low	121 Å²	121	74.5 Å²	74.5	53%	0.526	38%	0.375	S	S	.	.	H	α-helix	trans	-75.7	-43.6	177.1	-168.3	179.3	-169.1	177.6	0	112.3	E629 C630 C646 S647 L648 K653	E629-K650 VanDerWaalsContact O-CD 3.23Å; E629-K650 WeakPolarHBondContact O-CD 3.41Å; E629-K650 VanDerWaalsContact O-CE 3.27Å; E629-K650 WeakPolarHBondContact O-CE 3.29Å; E629-K650 WeakPolarHBondContact O-CG 3.41Å; C630-K650 HydrophobicContact CB-CB 4.13Å; C646-K650 VanDerWaalsContact O-CB 3.24Å; C646-K650 WeakPolarHBondContact O-CB 3.48Å; C646-K650 PolarHBondContact O-N 3.04Å; S647-K650 PolarHBondContact O-N 3.06Å; L648-K650 VanDerWaalsContact C-N 3.26Å; L648-K650 PolarHBondContact O-N 2.92Å; K650-K653 PolarHBondContact O-N 2.6Å
651	Q	66.7	Low	68.5	Low	158 Å²	158	71.2 Å²	71.2	74%	0.738	36%	0.358	S	S	*	.	H	α-helix	trans	-61.9	-48.1	175.5	-82.4	-176	-64.1	0	0	112.2	S647 L648 K653	S647-Q651 PolarHBondContact O-N 3.42Å; L648-Q651 PolarHBondContact O-N 3.48Å; Q651-K653 PolarHBondContact O-N 2.68Å
652	L	57.4	Low	68.6	Low	55 Å²	55	69.2 Å²	69.2	29%	0.288	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	6.3	-179.2	-62.9	178.3	0	0	0	113.6	L648 L654	L648-L652 HydrophobicContact CD1-CD1 3.68Å; L648-L652 HydrophobicContact CD1-CG 4Å; L648-L652 HydrophobicContact CG-CD1 3.91Å; L648-L652 HydrophobicContact CG-CG 4.47Å; L648-L652 WeakPolarHBondContact O-CB 3.4Å; L648-L652 WeakPolarHBondContact O-CG 3.46Å; L648-L652 PolarHBondContact O-N 2.94Å; L652-L654 HydrophobicContact CB-CD2 3.61Å; L652-L654 HydrophobicContact CB-CG 3.83Å; L652-L654 HydrophobicContact CD1-CD2 4.2Å; L652-L654 PolarHBondContact O-N 2.7Å; L652-L654 VanDerWaalsContact O-N 3.14Å
653	K	57.2	Low	68.6	Low	170 Å²	170	70.3 Å²	70.3	74%	0.739	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.7	46.4	-175.9	-59.2	178	-177	171.6	0	112.4	A649 K650 Q651 N655	A649-K653 PolarHBondContact O-N 3.02Å; K650-K653 PolarHBondContact O-N 2.6Å; Q651-K653 PolarHBondContact O-N 2.68Å; K653-N655 PolarHBondContact O-N 3.36Å
654	L	53.2	Low	68.8	Low	24 Å²	24	65.7 Å²	65.7	13%	0.126	33%	0.331	C	S	.	.			trans	-64.3	92.6	-165.8	-69.2	-174.8	0	0	0	113.2	L632 V644 A649 L652 H656	L632-L654 WeakPolarHBondContact CD2-O 3.4Å; V644-L654 HydrophobicContact CG1-CD1 3.84Å; A649-L654 HydrophobicContact CB-CD1 4.11Å; A649-L654 PolarHBondContact O-N 3.47Å; L652-L654 HydrophobicContact CB-CD2 3.61Å; L652-L654 HydrophobicContact CB-CG 3.83Å; L652-L654 HydrophobicContact CD1-CD2 4.2Å; L652-L654 PolarHBondContact O-N 2.7Å; L652-L654 VanDerWaalsContact O-N 3.14Å; L654-H656 PolarHBondContact O-N 2.9Å
655	N	48.5	Very low	69.4	Low	144 Å²	144	66.7 Å²	66.7	77%	0.77	34%	0.338	S	S	*	.			trans	-77.1	83.4	-179.6	-76.7	-36.3	0	0	0	111.6	K653 R657	K653-N655 PolarHBondContact O-N 3.36Å; N655-R657 PolarHBondContact O-N 3.02Å
656	H	52.3	Low	69.8	Low	75 Å²	75	63.1 Å²	63.1	35%	0.347	32%	0.322	S	S	.	.	S	Bend	trans	64	-11.6	163.6	-73.2	15.4	0	0	0	118.4	C614 L654	C614-H656 VanDerWaalsContact CB-O 3.29Å; C614-H656 WeakPolarHBondContact CB-O 3.45Å; L654-H656 PolarHBondContact O-N 2.9Å
657	R	50.8	Low	70.1	Confident	104 Å²	104	68.5 Å²	68.5	39%	0.392	34%	0.342	S	S	.	.	S	Bend	trans	-96.5	146.2	170.1	-72	177.1	166.3	-91.1	-2	111.1	N655 T659 D713	N655-R657 PolarHBondContact O-N 3.02Å; R657-T659 HydrophobicContact CB-CG2 3.86Å; R657-T659 PolarHBondContact O-N 2.95Å; R657-D713 IonicContact CZ-OD1 2.75Å; R657-D713 IonicContact NH1-OD1 3.18Å; R657-D713 PolarHBondContact NH1-OD1 3.01Å; R657-D713 IonicContact NH2-OD1 2.7Å
658	R	53.1	Low	70.6	Confident	112 Å²	112	67.8 Å²	67.8	42%	0.423	33%	0.328	S	S	.	.			trans	-71.4	115.2	151.2	-79.1	171.6	159.1	166.9	-8.9	106.4	H615 S641 N643	H615-R658 PolarHBondContact ND1-NH1 2.9Å; H615-R658 PolarHBondContact ND1-NH2 3.02Å; S641-R658 PolarHBondContact O-NH2 2.94Å; S641-R658 VanDerWaalsContact O-NH2 3.14Å; N643-R658 PolarHBondContact OD1-NE 3.47Å; N643-R658 VanDerWaalsContact OD1-NE 3.08Å; N643-R658 PolarHBondContact OD1-NH2 3.25Å
659	T	60.3	Low	70.9	Confident	32 Å²	32	65 Å²	65	20%	0.196	31%	0.314	C	S	.	.			trans	-132.2	126.1	166.2	58.3	0	0	0	0	110.8	R657 F662 E716	R657-T659 HydrophobicContact CB-CG2 3.86Å; R657-T659 PolarHBondContact O-N 2.95Å; T659-F662 WeakPolarHBondContact CB-O 3.39Å; T659-F662 HydrophobicContact CG2-CB 4.31Å; T659-F662 WeakPolarHBondContact CG2-O 3.46Å; T659-F662 PolarHBondContact OG1-O 2.96Å; T659-E716 WeakPolarHBondContact CA-OE1 3.39Å; T659-E716 WeakPolarHBondContact CA-OE2 3.31Å; T659-E716 WeakPolarHBondContact CB-OE1 3.38Å; T659-E716 VanDerWaalsContact CG2-OE1 3.28Å; T659-E716 WeakPolarHBondContact CG2-OE1 3.26Å
660	C	72.3	Confident	71.7	Confident	65 Å²	65	65.2 Å²	65.2	44%	0.439	32%	0.315	S	S	.	.	S	Bend	trans	-110.5	0.5	163.6	59.2	0	0	0	0	111.6	H669 E716	C660-H669 PolarHBondContact O-ND1 2.86Å; C660-E716 PolarHBondContact N-OE2 3.24Å; C660-E716 PolarHBondContact SG-OE2 3.38Å
661	I	81.6	Confident	72.4	Confident	4 Å²	4	64.6 Å²	64.6	2%	0.021	31%	0.314	C	S	.	.	S	Bend	trans	-123.9	-60.1	-179.2	-50.3	-164.8	0	0	0	111.5	V680 F715 E716 Y737	I661-V680 HydrophobicContact CG2-CG2 3.38Å; I661-F715 HydrophobicContact CD1-CB 4.37Å; I661-F715 WeakPolarHBondContact CD1-O 3.43Å; I661-E716 WeakPolarHBondContact CB-OE1 3.38Å; I661-E716 PolarHBondContact N-OE1 3.15Å; I661-E716 PolarHBondContact N-OE2 3.16Å; I661-Y737 HydrophobicContact CG2-CD2 4.14Å; I661-Y737 HydrophobicContact CG2-CE2 3.78Å
662	F	84.7	Confident	73.2	Confident	9 Å²	9	62 Å²	62	4%	0.039	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	127.4	-177.1	-65.6	-94.7	0	0	0	110.8	T659 V680 C712 F715 E716 I733 Y737	T659-F662 WeakPolarHBondContact CB-O 3.39Å; T659-F662 HydrophobicContact CG2-CB 4.31Å; T659-F662 WeakPolarHBondContact CG2-O 3.46Å; T659-F662 PolarHBondContact OG1-O 2.96Å; F662-V680 HydrophobicContact CE2-CG2 4.29Å; F662-V680 HydrophobicContact CZ-CG1 4.03Å; F662-V680 HydrophobicContact CZ-CG2 4.19Å; F662-C712 HydrophobicContact CD2-CB 4.29Å; F662-C712 HydrophobicContact CE2-CB 3.96Å; F662-C712 HydrophobicContact CZ-CB 4.25Å; F662-C712 VanDerWaalsContact CZ-SG 3.55Å; F662-F715 HydrophobicContact CE2-CB 4.03Å; F662-E716 HydrophobicContact CD2-CG 4.14Å; F662-E716 WeakPolarHBondContact CD2-OE1 3.4Å; F662-E716 PolarHBondContact N-OE1 3.37Å; F662-I733 HydrophobicContact CE1-CG2 4.45Å; F662-I733 HydrophobicContact CZ-CG2 4.06Å; F662-Y737 HydrophobicContact CD1-CD2 4.09Å; F662-Y737 HydrophobicContact CE1-CD2 4.12Å; F662-Y737 HydrophobicContact CE1-CG 4.45Å
663	G	82.4	Confident	74.4	Confident	34 Å²	34	61.4 Å²	61.4	35%	0.351	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	4.8	-174.9	0	0	0	0	0	115.1	Q740	G663-Q740 WeakPolarHBondContact CA-O 3.4Å; G663-Q740 PolarHBondContact N-O 3.1Å
664	V	84.6	Confident	75.8	Confident	5 Å²	5	61.8 Å²	61.8	3%	0.03	31%	0.308	C	S	.	.	S	Bend	trans	-103.6	140.4	-177.6	-176.7	0	0	0	0	110	L666 K668 H669 P742	V664-L666 PolarHBondContact O-N 3.12Å; V664-K668 HydrophobicContact CG1-CB 4.47Å; V664-H669 HydrophobicContact CB-CB 4.46Å; V664-H669 HydrophobicContact CG1-CB 4.1Å; V664-P742 WeakPolarHBondContact O-CD 3.04Å
665	P	88.9	Confident	77.6	Confident	53 Å²	53	64.2 Å²	64.2	34%	0.344	32%	0.32	S	S	.	.			trans	-55	133.9	174	-25.8	34.8	0	0	0	112.3	R667 K668 H669 P742	P665-R667 PolarHBondContact O-N 3.33Å; P665-K668 HydrophobicContact CB-CB 4.35Å; P665-K668 PolarHBondContact O-N 3.44Å; P665-K668 VanDerWaalsContact O-N 3.08Å; P665-H669 PolarHBondContact O-N 3.38Å; P665-P742 HydrophobicContact CG-CG 4.08Å
666	L	92	Very high	79.6	Confident	12 Å²	12	66.1 Å²	66.1	6%	0.063	32%	0.317	C	S	.	.	H	α-helix	trans	-53.7	-53.2	-171	179.3	59.1	0	0	0	112.8	V664 K668 H669 L670 P678 L741 L745 E790 N791 T794	V664-L666 PolarHBondContact O-N 3.12Å; L666-K668 VanDerWaalsContact C-N 3.35Å; L666-K668 PolarHBondContact O-N 3Å; L666-H669 PolarHBondContact O-N 3.4Å; L666-L670 HydrophobicContact CD1-CD1 3.7Å; L666-L670 HydrophobicContact CD1-CG 4.28Å; L666-L670 HydrophobicContact CG-CD1 3.95Å; L666-L670 WeakPolarHBondContact O-CG 3.29Å; L666-L670 PolarHBondContact O-N 3.11Å; L666-L670 VanDerWaalsContact O-N 3.12Å; L666-P678 HydrophobicContact CD1-CG 3.42Å; L666-P678 VanDerWaalsContact CD1-CG 3.42Å; L666-L741 HydrophobicContact CB-CD2 4.18Å; L666-L745 HydrophobicContact CD2-CD1 3.6Å; L666-E790 HydrophobicContact CG-CB 4.43Å; L666-N791 HydrophobicContact CD2-CB 4.44Å; L666-T794 HydrophobicContact CD2-CG2 4.43Å
667	R	90.9	Very high	81.6	Confident	118 Å²	118	63.4 Å²	63.4	45%	0.445	31%	0.306	S	S	.	.	H	α-helix	trans	-50.6	-52.7	174.9	168	171.3	-68.7	142.3	9.5	111.7	P665 H669 L670 E671 E790	P665-R667 PolarHBondContact O-N 3.33Å; R667-H669 PolarHBondContact O-N 3.47Å; R667-L670 PolarHBondContact O-N 3.5Å; R667-L670 VanDerWaalsContact O-N 3.1Å; R667-E671 WeakPolarHBondContact CD-OE1 3.38Å; R667-E671 VanDerWaalsContact CG-CD 3.41Å; R667-E671 HydrophobicContact CG-CG 4.07Å; R667-E671 VanDerWaalsContact CG-OE1 3.28Å; R667-E671 WeakPolarHBondContact CG-OE1 3.26Å; R667-E671 WeakPolarHBondContact O-CG 3.43Å; R667-E671 PolarHBondContact O-N 2.99Å; R667-E790 HydrophobicContact CB-CG 4.35Å; R667-E790 IonicContact CZ-OE1 2.69Å; R667-E790 IonicContact CZ-OE2 3.13Å; R667-E790 IonicContact NE-OE1 2.68Å; R667-E790 PolarHBondContact NE-OE1 3.19Å; R667-E790 IonicContact NE-OE2 3.76Å; R667-E790 IonicContact NH2-OE1 3.92Å; R667-E790 PolarHBondContact NH2-OE1 3.01Å; R667-E790 VanDerWaalsContact NH2-OE1 3.15Å; R667-E790 IonicContact NH2-OE2 2.74Å; R667-E790 PolarHBondContact NH2-OE2 3.3Å
668	K	86.8	Confident	83.7	Confident	67 Å²	67	58.5 Å²	58.5	29%	0.291	29%	0.287	S	S	.	.	H	α-helix	trans	-61.3	-45.1	-177	-177.8	178.9	175.5	-176	0	112.1	V664 P665 L666 L670 E671 D672	V664-K668 HydrophobicContact CG1-CB 4.47Å; P665-K668 HydrophobicContact CB-CB 4.35Å; P665-K668 PolarHBondContact O-N 3.44Å; P665-K668 VanDerWaalsContact O-N 3.08Å; L666-K668 VanDerWaalsContact C-N 3.35Å; L666-K668 PolarHBondContact O-N 3Å; K668-L670 PolarHBondContact O-N 3.08Å; K668-E671 PolarHBondContact O-N 2.74Å; K668-D672 WeakPolarHBondContact CE-OD2 3.23Å; K668-D672 VanDerWaalsContact O-CB 3.29Å; K668-D672 WeakPolarHBondContact O-CB 3.38Å; K668-D672 PolarHBondContact O-N 2.97Å
669	H	80.3	Confident	85.5	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.009	28%	0.283	C	S	.	.	H	α-helix	trans	-58.8	-35.6	177.5	170.1	67.1	0	0	0	112	C660 V664 P665 L666 R667 T673	C660-H669 PolarHBondContact O-ND1 2.86Å; V664-H669 HydrophobicContact CB-CB 4.46Å; V664-H669 HydrophobicContact CG1-CB 4.1Å; P665-H669 PolarHBondContact O-N 3.38Å; L666-H669 PolarHBondContact O-N 3.4Å; R667-H669 PolarHBondContact O-N 3.47Å; H669-T673 WeakPolarHBondContact O-CB 3.35Å; H669-T673 WeakPolarHBondContact O-CG2 3.48Å; H669-T673 PolarHBondContact O-N 3.12Å; H669-T673 PolarHBondContact O-OG1 2.96Å
670	L	90	Very high	87.1	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-79.3	-38.1	179.5	-69.1	172.1	0	0	0	113	L666 R667 K668 T673 H674 L675 P678 E790	L666-L670 HydrophobicContact CD1-CD1 3.7Å; L666-L670 HydrophobicContact CD1-CG 4.28Å; L666-L670 HydrophobicContact CG-CD1 3.95Å; L666-L670 WeakPolarHBondContact O-CG 3.29Å; L666-L670 PolarHBondContact O-N 3.11Å; L666-L670 VanDerWaalsContact O-N 3.12Å; R667-L670 PolarHBondContact O-N 3.5Å; R667-L670 VanDerWaalsContact O-N 3.1Å; K668-L670 PolarHBondContact O-N 3.08Å; L670-T673 PolarHBondContact O-N 3.28Å; L670-H674 WeakPolarHBondContact O-CA 3.24Å; L670-H674 PolarHBondContact O-N 2.93Å; L670-L675 WeakPolarHBondContact CB-O 3.47Å; L670-L675 HydrophobicContact CD2-CB 3.88Å; L670-L675 PolarHBondContact O-N 2.87Å; L670-P678 HydrophobicContact CD2-CG 4.07Å; L670-P678 HydrophobicContact CG-CG 4.49Å; L670-E790 HydrophobicContact CD1-CB 3.81Å; L670-E790 HydrophobicContact CD1-CG 4.21Å
671	E	87.7	Confident	88.3	Confident	107 Å²	107	51.7 Å²	51.7	50%	0.5	25%	0.253	S	S	.	.	H	α-helix	trans	-58.9	-50.8	168.7	-71.4	168.8	158.8	0	0	110.9	R667 K668 T673 H674	R667-E671 WeakPolarHBondContact CD-OE1 3.38Å; R667-E671 VanDerWaalsContact CG-CD 3.41Å; R667-E671 HydrophobicContact CG-CG 4.07Å; R667-E671 VanDerWaalsContact CG-OE1 3.28Å; R667-E671 WeakPolarHBondContact CG-OE1 3.26Å; R667-E671 WeakPolarHBondContact O-CG 3.43Å; R667-E671 PolarHBondContact O-N 2.99Å; K668-E671 PolarHBondContact O-N 2.74Å; E671-T673 PolarHBondContact O-N 3.36Å; E671-H674 PolarHBondContact O-CE1 2.83Å; E671-H674 PolarHBondContact O-N 3.48Å; E671-H674 PolarHBondContact O-ND1 3.46Å
672	D	81.4	Confident	88.9	Confident	104 Å²	104	53.6 Å²	53.6	56%	0.556	27%	0.265	S	S	*	.	H	α-helix	trans	-63.9	-22.7	179.7	-76.5	-21.2	0	0	0	113.1	K668	K668-D672 WeakPolarHBondContact CE-OD2 3.23Å; K668-D672 VanDerWaalsContact O-CB 3.29Å; K668-D672 WeakPolarHBondContact O-CB 3.38Å; K668-D672 PolarHBondContact O-N 2.97Å
673	T	82.6	Confident	89.4	Confident	43 Å²	43	54.2 Å²	54.2	26%	0.264	27%	0.272	S	S	.	.	H	α-helix	trans	-108.6	-7	179.5	55.8	0	0	0	0	114.8	H669 L670 E671 L675	H669-T673 WeakPolarHBondContact O-CB 3.35Å; H669-T673 WeakPolarHBondContact O-CG2 3.48Å; H669-T673 PolarHBondContact O-N 3.12Å; H669-T673 PolarHBondContact O-OG1 2.96Å; L670-T673 PolarHBondContact O-N 3.28Å; E671-T673 PolarHBondContact O-N 3.36Å; T673-L675 PolarHBondContact O-N 3.43Å
674	H	88.3	Confident	90.1	Very high	178 Å²	178	52.6 Å²	52.6	82%	0.824	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	33	-173.5	-53.8	-20.4	0	0	0	114.1	L670 E671	L670-H674 WeakPolarHBondContact O-CA 3.24Å; L670-H674 PolarHBondContact O-N 2.93Å; E671-H674 PolarHBondContact O-CE1 2.83Å; E671-H674 PolarHBondContact O-N 3.48Å; E671-H674 PolarHBondContact O-ND1 3.46Å
675	L	90	Very high	90.7	Very high	75 Å²	75	52.5 Å²	52.5	39%	0.393	26%	0.255	S	S	.	.			trans	-104.4	158.9	176.5	-63.1	177.9	0	0	0	111.1	L670 T673 L679	L670-L675 WeakPolarHBondContact CB-O 3.47Å; L670-L675 HydrophobicContact CD2-CB 3.88Å; L670-L675 PolarHBondContact O-N 2.87Å; T673-L675 PolarHBondContact O-N 3.43Å; L675-L679 HydrophobicContact CD1-CB 3.95Å
676	R	91.4	Very high	91	Very high	183 Å²	183	54.8 Å²	54.8	69%	0.691	26%	0.264	S	S	*	.	S	Bend	trans	-90.4	-28.6	169.9	-68.9	-167.1	178.7	-156.2	3.1	114	E793	R676-E793 WeakPolarHBondContact CD-OE1 3.41Å; R676-E793 IonicContact CZ-OE1 2.67Å; R676-E793 IonicContact NH1-OE1 3.72Å; R676-E793 PolarHBondContact NH1-OE1 2.78Å
677	V	94.3	Very high	91.2	Very high	19 Å²	19	55.2 Å²	55.2	12%	0.115	27%	0.266	C	S	.	.	S	Bend	trans	-136.1	138.7	-176.8	179.8	0	0	0	0	107.9	L679 L681 T682 E793 V797	V677-L679 PolarHBondContact O-N 3.47Å; V677-L681 HydrophobicContact CG1-CB 4.38Å; V677-L681 HydrophobicContact CG1-CD2 3.91Å; V677-L681 HydrophobicContact CG1-CG 4.48Å; V677-T682 HydrophobicContact CB-CG2 4.21Å; V677-T682 HydrophobicContact CG1-CG2 3.9Å; V677-E793 HydrophobicContact CG2-CB 3.81Å; V677-V797 HydrophobicContact CG1-CB 4.33Å; V677-V797 HydrophobicContact CG1-CG2 4.23Å; V677-V797 HydrophobicContact CG2-CG2 4.13Å
678	P	93.9	Very high	91.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.244	C	C	.	.			trans	-61	136.8	-172.6	-27.8	36.2	0	0	0	112.7	L666 L670 V680 L681 T682 Y737 T794	L666-P678 HydrophobicContact CD1-CG 3.42Å; L666-P678 VanDerWaalsContact CD1-CG 3.42Å; L670-P678 HydrophobicContact CD2-CG 4.07Å; L670-P678 HydrophobicContact CG-CG 4.49Å; P678-V680 PolarHBondContact O-N 3.32Å; P678-V680 VanDerWaalsContact O-N 3.09Å; P678-L681 PolarHBondContact O-N 3.35Å; P678-T682 PolarHBondContact O-N 2.76Å; P678-T682 VanDerWaalsContact O-N 3.17Å; P678-T682 PolarHBondContact O-OG1 3.38Å; P678-Y737 HydrophobicContact CB-CE1 3.9Å; P678-Y737 WeakPolarHBondContact CB-OH 3.32Å; P678-Y737 HydrophobicContact CG-CE1 3.78Å; P678-Y737 WeakPolarHBondContact CG-OH 3.36Å; P678-T794 VanDerWaalsContact CD-OG1 3.28Å; P678-T794 WeakPolarHBondContact CD-OG1 3.45Å; P678-T794 HydrophobicContact CG-CG2 4.35Å
679	L	92.2	Very high	91.9	Very high	64 Å²	64	47.1 Å²	47.1	34%	0.335	23%	0.234	S	C	.	.	H	α-helix	trans	-56.2	-29	177.1	-177.6	61.7	0	0	0	112.6	L675 V677 T682 A683	L675-L679 HydrophobicContact CD1-CB 3.95Å; V677-L679 PolarHBondContact O-N 3.47Å; L679-T682 PolarHBondContact O-OG1 2.92Å; L679-A683 HydrophobicContact CD1-CB 4.4Å; L679-A683 WeakPolarHBondContact O-CB 3.36Å; L679-A683 PolarHBondContact O-N 3.01Å; L679-A683 VanDerWaalsContact O-N 3.1Å
680	V	94	Very high	92.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-41.7	174	-177.2	0	0	0	0	111.6	I661 F662 P678 C684 F715 I733 Y737	I661-V680 HydrophobicContact CG2-CG2 3.38Å; F662-V680 HydrophobicContact CE2-CG2 4.29Å; F662-V680 HydrophobicContact CZ-CG1 4.03Å; F662-V680 HydrophobicContact CZ-CG2 4.19Å; P678-V680 PolarHBondContact O-N 3.32Å; P678-V680 VanDerWaalsContact O-N 3.09Å; V680-C684 WeakPolarHBondContact O-CB 3.16Å; V680-C684 PolarHBondContact O-N 3.2Å; V680-C684 PolarHBondContact O-SG 3Å; V680-F715 HydrophobicContact CB-CD1 4.42Å; V680-F715 HydrophobicContact CB-CE1 4.31Å; V680-F715 HydrophobicContact CG1-CE2 4.39Å; V680-F715 HydrophobicContact CG1-CZ 4.39Å; V680-F715 HydrophobicContact CG2-CB 4.32Å; V680-F715 HydrophobicContact CG2-CD1 3.72Å; V680-F715 HydrophobicContact CG2-CD2 4.49Å; V680-F715 HydrophobicContact CG2-CE1 4.09Å; V680-F715 HydrophobicContact CG2-CG 3.95Å; V680-I733 HydrophobicContact CG1-CG2 3.54Å; V680-Y737 HydrophobicContact CB-CD2 4.24Å; V680-Y737 HydrophobicContact CB-CG 4.29Å; V680-Y737 HydrophobicContact CG1-CD2 4.32Å; V680-Y737 HydrophobicContact CG1-CG 4.11Å; V680-Y737 HydrophobicContact CG2-CD2 4.21Å
681	L	95.8	Very high	92.7	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-72.2	-53.4	-179.4	-178.3	62	0	0	0	110.2	V677 P678 C684 V685 I734 T794 V797 L798	V677-L681 HydrophobicContact CG1-CB 4.38Å; V677-L681 HydrophobicContact CG1-CD2 3.91Å; V677-L681 HydrophobicContact CG1-CG 4.48Å; P678-L681 PolarHBondContact O-N 3.35Å; L681-C684 PolarHBondContact O-N 3.22Å; L681-V685 HydrophobicContact CD1-CG2 3.8Å; L681-V685 HydrophobicContact CG-CG2 4.24Å; L681-V685 VanDerWaalsContact O-CB 3.3Å; L681-V685 WeakPolarHBondContact O-CB 3.46Å; L681-V685 VanDerWaalsContact O-CG2 3.24Å; L681-V685 WeakPolarHBondContact O-CG2 3.49Å; L681-V685 PolarHBondContact O-N 3.02Å; L681-I734 HydrophobicContact CD1-CD1 4.37Å; L681-I734 HydrophobicContact CD1-CG1 4.31Å; L681-I734 HydrophobicContact CD1-CG2 3.91Å; L681-T794 HydrophobicContact CD2-CG2 3.76Å; L681-T794 WeakPolarHBondContact CD2-O 3.32Å; L681-V797 HydrophobicContact CD2-CB 4.15Å; L681-V797 HydrophobicContact CD2-CG1 3.99Å; L681-V797 HydrophobicContact CG-CG1 4.13Å; L681-L798 HydrophobicContact CD1-CB 4.43Å; L681-L798 HydrophobicContact CD1-CD1 3.96Å; L681-L798 HydrophobicContact CD2-CB 4.21Å
682	T	95	Very high	92.9	Very high	43 Å²	43	53.1 Å²	53.1	26%	0.264	25%	0.251	S	S	.	.	H	α-helix	trans	-60.6	-54.9	-176.4	49.8	0	0	0	0	112.2	V677 P678 L679 C684 V685 D686	V677-T682 HydrophobicContact CB-CG2 4.21Å; V677-T682 HydrophobicContact CG1-CG2 3.9Å; P678-T682 PolarHBondContact O-N 2.76Å; P678-T682 VanDerWaalsContact O-N 3.17Å; P678-T682 PolarHBondContact O-OG1 3.38Å; L679-T682 PolarHBondContact O-OG1 2.92Å; T682-C684 VanDerWaalsContact C-N 3.26Å; T682-C684 PolarHBondContact O-N 3.47Å; T682-V685 PolarHBondContact O-N 2.86Å; T682-V685 VanDerWaalsContact O-N 3.09Å; T682-D686 VanDerWaalsContact O-CG 3.29Å; T682-D686 PolarHBondContact O-N 3.11Å
683	A	95.3	Very high	93.6	Very high	22 Å²	22	48.5 Å²	48.5	18%	0.182	23%	0.227	C	C	.	.	H	α-helix	trans	-62.9	-31.5	-178.1	0	0	0	0	0	113.1	L679 E687 F715 V720 L722	L679-A683 HydrophobicContact CD1-CB 4.4Å; L679-A683 WeakPolarHBondContact O-CB 3.36Å; L679-A683 PolarHBondContact O-N 3.01Å; L679-A683 VanDerWaalsContact O-N 3.1Å; A683-E687 WeakPolarHBondContact O-CB 3.33Å; A683-E687 PolarHBondContact O-N 3.45Å; A683-F715 HydrophobicContact CB-CE1 4.32Å; A683-F715 HydrophobicContact CB-CZ 4.45Å; A683-V720 HydrophobicContact CB-CG1 4.28Å; A683-L722 HydrophobicContact CB-CD1 4.33Å; A683-L722 WeakPolarHBondContact O-CD1 3.35Å
684	C	97	Very high	94.1	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-75.3	-39.8	173.8	-68.8	0	0	0	0	112.3	V680 L681 T682 L688 I730 I734	V680-C684 WeakPolarHBondContact O-CB 3.16Å; V680-C684 PolarHBondContact O-N 3.2Å; V680-C684 PolarHBondContact O-SG 3Å; L681-C684 PolarHBondContact O-N 3.22Å; T682-C684 VanDerWaalsContact C-N 3.26Å; T682-C684 PolarHBondContact O-N 3.47Å; C684-L688 WeakPolarHBondContact O-CB 3.24Å; C684-L688 WeakPolarHBondContact O-CG 3.45Å; C684-L688 PolarHBondContact O-N 3.25Å; C684-I730 HydrophobicContact CB-CG2 3.51Å; C684-I734 HydrophobicContact CB-CD1 3.53Å; C684-I734 HydrophobicContact CB-CG1 3.53Å
685	V	97.2	Very high	94.4	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.024	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-50	177.1	161.5	0	0	0	0	110.7	L681 T682 E687 L688 E689 I734 H801	L681-V685 HydrophobicContact CD1-CG2 3.8Å; L681-V685 HydrophobicContact CG-CG2 4.24Å; L681-V685 VanDerWaalsContact O-CB 3.3Å; L681-V685 WeakPolarHBondContact O-CB 3.46Å; L681-V685 VanDerWaalsContact O-CG2 3.24Å; L681-V685 WeakPolarHBondContact O-CG2 3.49Å; L681-V685 PolarHBondContact O-N 3.02Å; T682-V685 PolarHBondContact O-N 2.86Å; T682-V685 VanDerWaalsContact O-N 3.09Å; V685-E687 VanDerWaalsContact C-N 3.31Å; V685-E687 PolarHBondContact O-N 3.32Å; V685-L688 PolarHBondContact O-N 3.2Å; V685-L688 VanDerWaalsContact O-N 3.12Å; V685-E689 HydrophobicContact CG1-CG 4.43Å; V685-E689 WeakPolarHBondContact O-CG 3.23Å; V685-E689 PolarHBondContact O-N 3.49Å; V685-I734 HydrophobicContact CG2-CD1 4.16Å; V685-H801 HydrophobicContact CG1-CB 4Å; V685-H801 HydrophobicContact CG2-CB 4.04Å
686	D	95.5	Very high	94.5	Very high	101 Å²	101	47.9 Å²	47.9	54%	0.54	22%	0.223	S	C	.	.	H	α-helix	trans	-56.1	-46	179.5	-66.7	-27.2	0	0	0	111.4	T682 E689 R690	T682-D686 VanDerWaalsContact O-CG 3.29Å; T682-D686 PolarHBondContact O-N 3.11Å; D686-E689 PolarHBondContact O-N 2.77Å; D686-R690 VanDerWaalsContact O-CB 3.27Å; D686-R690 WeakPolarHBondContact O-CB 3.38Å; D686-R690 PolarHBondContact O-N 2.9Å
687	E	96	Very high	94.3	Very high	21 Å²	21	39.2 Å²	39.2	10%	0.098	19%	0.191	C	C	.	.	H	α-helix	trans	-72.3	-28.5	-179.3	-176	65	177.2	0	0	113.1	A683 V685 R690 R691 L722 S723 I730	A683-E687 WeakPolarHBondContact O-CB 3.33Å; A683-E687 PolarHBondContact O-N 3.45Å; V685-E687 VanDerWaalsContact C-N 3.31Å; V685-E687 PolarHBondContact O-N 3.32Å; E687-R690 IonicContact OE1-CZ 3.19Å; E687-R690 IonicContact OE1-NH2 2.74Å; E687-R690 PolarHBondContact OE1-NH2 3.39Å; E687-R690 IonicContact OE2-CZ 2.62Å; E687-R690 IonicContact OE2-NE 3.19Å; E687-R690 PolarHBondContact OE2-NE 2.84Å; E687-R690 IonicContact OE2-NH2 2.73Å; E687-R690 PolarHBondContact OE2-NH2 3.37Å; E687-R691 WeakPolarHBondContact O-CG 3.5Å; E687-R691 IonicContact OE1-CZ 2.65Å; E687-R691 IonicContact OE1-NE 3.9Å; E687-R691 PolarHBondContact OE1-NE 3.12Å; E687-R691 IonicContact OE1-NH2 2.61Å; E687-R691 PolarHBondContact OE1-NH2 3.37Å; E687-L722 HydrophobicContact CB-CB 4.44Å; E687-L722 HydrophobicContact CB-CD1 4.4Å; E687-L722 HydrophobicContact CG-CB 3.9Å; E687-S723 VanDerWaalsContact OE1-CA 3.31Å; E687-S723 WeakPolarHBondContact OE1-CA 3.37Å; E687-I730 HydrophobicContact CB-CD1 4.4Å; E687-I730 HydrophobicContact CG-CD1 3.59Å
688	L	96.6	Very high	94.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-77.3	-34.4	172.6	-74.8	178.5	0	0	0	112.7	C684 V685 G692 L693 L698 Y699 P727 I730 A731 I734	C684-L688 WeakPolarHBondContact O-CB 3.24Å; C684-L688 WeakPolarHBondContact O-CG 3.45Å; C684-L688 PolarHBondContact O-N 3.25Å; V685-L688 PolarHBondContact O-N 3.2Å; V685-L688 VanDerWaalsContact O-N 3.12Å; L688-G692 CarbonylContact O-C 3.56Å; L688-G692 WeakPolarHBondContact O-CA 3.37Å; L688-G692 PolarHBondContact O-N 3.18Å; L688-L693 PolarHBondContact O-N 3.01Å; L688-L693 VanDerWaalsContact O-N 3.15Å; L688-L698 HydrophobicContact CD2-CD1 3.93Å; L688-Y699 HydrophobicContact CD1-CE1 4.37Å; L688-Y699 HydrophobicContact CD1-CE2 4.45Å; L688-Y699 WeakPolarHBondContact CD1-OH 3.48Å; L688-P727 HydrophobicContact CD2-CB 3.72Å; L688-I730 HydrophobicContact CD1-CG2 4.05Å; L688-I730 HydrophobicContact CD2-CB 4.1Å; L688-I730 HydrophobicContact CD2-CG2 4.15Å; L688-I730 HydrophobicContact CG-CB 4.29Å; L688-I730 HydrophobicContact CG-CG2 3.78Å; L688-A731 HydrophobicContact CD1-CB 4.12Å; L688-I734 HydrophobicContact CD1-CD1 3.89Å
689	E	95.3	Very high	94.4	Very high	15 Å²	15	38.3 Å²	38.3	7%	0.07	19%	0.185	C	C	.	.	H	α-helix	trans	-70.9	-37.9	173.7	-69.9	-176.6	177.3	0	0	111.2	V685 D686 R691 L693 H801 R804 R873 L874	V685-E689 HydrophobicContact CG1-CG 4.43Å; V685-E689 WeakPolarHBondContact O-CG 3.23Å; V685-E689 PolarHBondContact O-N 3.49Å; D686-E689 PolarHBondContact O-N 2.77Å; E689-R691 VanDerWaalsContact C-N 3.33Å; E689-R691 PolarHBondContact O-N 2.98Å; E689-L693 HydrophobicContact CG-CD2 4.23Å; E689-H801 WeakPolarHBondContact CG-ND1 3.47Å; E689-H801 IonicContact OE1-CE1 3.36Å; E689-H801 IonicContact OE1-CG 3.95Å; E689-H801 IonicContact OE1-ND1 3.62Å; E689-H801 PolarHBondContact OE1-ND1 3.36Å; E689-R804 WeakPolarHBondContact OE1-CD 3.21Å; E689-R804 IonicContact OE1-CZ 3.65Å; E689-R804 IonicContact OE1-NE 3.15Å; E689-R804 IonicContact OE1-NH1 2.71Å; E689-R804 PolarHBondContact OE1-NH1 3.06Å; E689-R804 IonicContact OE2-NH1 3.75Å; E689-R804 PolarHBondContact OE2-NH1 3.45Å; E689-R873 IonicContact OE2-CZ 3.83Å; E689-R873 IonicContact OE2-NH1 2.78Å; E689-R873 PolarHBondContact OE2-NH1 3.33Å; E689-R873 IonicContact OE2-NH2 2.68Å; E689-R873 PolarHBondContact OE2-NH2 3.18Å; E689-L874 HydrophobicContact CB-CD2 4.47Å
690	R	93.9	Very high	94.3	Very high	156 Å²	156	41.1 Å²	41.1	59%	0.589	19%	0.191	S	C	*	.	H	α-helix	trans	-64	-29.1	179	-166.3	-177.5	68.6	79.2	-4	114.6	D686 E687	D686-R690 VanDerWaalsContact O-CB 3.27Å; D686-R690 WeakPolarHBondContact O-CB 3.38Å; D686-R690 PolarHBondContact O-N 2.9Å; E687-R690 IonicContact OE1-CZ 3.19Å; E687-R690 IonicContact OE1-NH2 2.74Å; E687-R690 PolarHBondContact OE1-NH2 3.39Å; E687-R690 IonicContact OE2-CZ 2.62Å; E687-R690 IonicContact OE2-NE 3.19Å; E687-R690 PolarHBondContact OE2-NE 2.84Å; E687-R690 IonicContact OE2-NH2 2.73Å; E687-R690 PolarHBondContact OE2-NH2 3.37Å
691	R	93.7	Very high	94	Very high	84 Å²	84	44.4 Å²	44.4	32%	0.317	21%	0.211	S	C	.	.	H	α-helix	trans	-158.8	-2.4	-175.7	61.5	169.7	176.3	106.7	4.8	117.5	E687 E689 L722 S723 V725	E687-R691 WeakPolarHBondContact O-CG 3.5Å; E687-R691 IonicContact OE1-CZ 2.65Å; E687-R691 IonicContact OE1-NE 3.9Å; E687-R691 PolarHBondContact OE1-NE 3.12Å; E687-R691 IonicContact OE1-NH2 2.61Å; E687-R691 PolarHBondContact OE1-NH2 3.37Å; E689-R691 VanDerWaalsContact C-N 3.33Å; E689-R691 PolarHBondContact O-N 2.98Å; R691-L722 PolarHBondContact NH2-O 3.05Å; R691-S723 PolarHBondContact NH2-O 2.83Å; R691-V725 VanDerWaalsContact CZ-O 3.24Å; R691-V725 PolarHBondContact NH1-O 3.07Å; R691-V725 PolarHBondContact NH2-O 2.92Å
692	G	92.3	Very high	93.3	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-24.1	-172.7	0	0	0	0	0	115.2	L688 N694 V695	L688-G692 CarbonylContact O-C 3.56Å; L688-G692 WeakPolarHBondContact O-CA 3.37Å; L688-G692 PolarHBondContact O-N 3.18Å; G692-N694 VanDerWaalsContact C-N 3.25Å; G692-N694 PolarHBondContact O-N 3.07Å; G692-N694 VanDerWaalsContact O-N 3.1Å; G692-V695 VanDerWaalsContact O-CB 3.28Å; G692-V695 WeakPolarHBondContact O-CB 3.38Å; G692-V695 VanDerWaalsContact O-CG2 3.3Å; G692-V695 WeakPolarHBondContact O-CG2 3.47Å; G692-V695 PolarHBondContact O-N 2.77Å
693	L	95.5	Very high	92.6	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.042	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-32.8	-168.9	-57.7	-177.6	0	0	0	114.6	L688 E689 V695 V805 F808 N812 L874	L688-L693 PolarHBondContact O-N 3.01Å; L688-L693 VanDerWaalsContact O-N 3.15Å; E689-L693 HydrophobicContact CG-CD2 4.23Å; L693-V695 VanDerWaalsContact C-N 3.34Å; L693-V695 PolarHBondContact O-N 2.87Å; L693-V805 HydrophobicContact CD2-CG2 3.61Å; L693-F808 HydrophobicContact CB-CD2 3.82Å; L693-F808 HydrophobicContact CB-CE2 4.15Å; L693-F808 HydrophobicContact CB-CG 4.1Å; L693-F808 HydrophobicContact CD1-CD2 3.92Å; L693-F808 HydrophobicContact CD1-CE2 3.49Å; L693-F808 VanDerWaalsContact CD1-CE2 3.49Å; L693-F808 HydrophobicContact CD1-CZ 4.12Å; L693-F808 HydrophobicContact CG-CD2 4.42Å; L693-F808 HydrophobicContact CG-CE2 4.42Å; L693-N812 VanDerWaalsContact O-CB 3.24Å; L693-N812 WeakPolarHBondContact O-CB 3.21Å; L693-N812 PolarHBondContact O-ND2 2.97Å; L693-L874 HydrophobicContact CD1-CD1 4Å; L693-L874 HydrophobicContact CD1-CD2 3.94Å; L693-L874 HydrophobicContact CD1-CG 4.48Å
694	N	93.2	Very high	92.1	Very high	95 Å²	95	50.6 Å²	50.6	51%	0.508	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	5.4	-179.5	-63.6	-14.9	0	0	0	114.2	G692 K696 F808 E811	G692-N694 VanDerWaalsContact C-N 3.25Å; G692-N694 PolarHBondContact O-N 3.07Å; G692-N694 VanDerWaalsContact O-N 3.1Å; N694-K696 PolarHBondContact O-N 3.41Å; N694-F808 WeakPolarHBondContact OD1-CD1 3.43Å; N694-E811 HydrophobicContact CB-CB 4.19Å
695	V	93.5	Very high	91.2	Very high	42 Å²	42	57.7 Å²	57.7	26%	0.255	28%	0.283	S	S	.	.	S	Bend	trans	-80.7	118.5	-175.1	175.2	0	0	0	0	110.8	G692 L693 G697 L698 P727 T728 N812	G692-V695 VanDerWaalsContact O-CB 3.28Å; G692-V695 WeakPolarHBondContact O-CB 3.38Å; G692-V695 VanDerWaalsContact O-CG2 3.3Å; G692-V695 WeakPolarHBondContact O-CG2 3.47Å; G692-V695 PolarHBondContact O-N 2.77Å; L693-V695 VanDerWaalsContact C-N 3.34Å; L693-V695 PolarHBondContact O-N 2.87Å; V695-G697 PolarHBondContact O-N 3.08Å; V695-L698 HydrophobicContact CB-CD1 4.4Å; V695-L698 WeakPolarHBondContact O-CB 3.46Å; V695-L698 PolarHBondContact O-N 2.92Å; V695-P727 HydrophobicContact CG2-CB 4.04Å; V695-P727 HydrophobicContact CG2-CG 4.06Å; V695-T728 HydrophobicContact CG1-CG2 4.11Å; V695-N812 WeakPolarHBondContact O-CB 3.32Å
696	K	92	Very high	90.4	Very high	145 Å²	145	60.7 Å²	60.7	63%	0.63	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	122.8	-179.9	-78.6	-171.3	174.6	-161.5	0	112.9	N694 E811 N812	N694-K696 PolarHBondContact O-N 3.41Å; K696-E811 WeakPolarHBondContact CE-O 3.26Å; K696-E811 WeakPolarHBondContact CG-O 3.15Å; K696-N812 WeakPolarHBondContact CA-O 3.39Å
697	G	88.7	Confident	90	Very high	2 Å²	2	57.3 Å²	57.3	2%	0.021	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	68	33.5	-175.9	0	0	0	0	0	113.6	V695 Y699 R700 V701 N812	V695-G697 PolarHBondContact O-N 3.08Å; G697-Y699 PolarHBondContact O-N 3.2Å; G697-R700 PolarHBondContact O-N 3.39Å; G697-V701 WeakPolarHBondContact O-CB 3.47Å; G697-V701 WeakPolarHBondContact O-CG2 3.46Å; G697-V701 PolarHBondContact O-N 2.85Å; G697-N812 PolarHBondContact N-O 3.2Å
698	L	93.2	Very high	89.5	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	139.2	170.6	-168.2	68.6	0	0	0	110	L688 V695 R700 P727 A731 V805 M814	L688-L698 HydrophobicContact CD2-CD1 3.93Å; V695-L698 HydrophobicContact CB-CD1 4.4Å; V695-L698 WeakPolarHBondContact O-CB 3.46Å; V695-L698 PolarHBondContact O-N 2.92Å; L698-R700 PolarHBondContact O-N 3.36Å; L698-P727 HydrophobicContact CD1-CB 4.24Å; L698-A731 HydrophobicContact CD1-CB 3.8Å; L698-A731 HydrophobicContact CG-CB 4.29Å; L698-V805 HydrophobicContact CD2-CG1 4.14Å; L698-V805 HydrophobicContact CD2-CG2 4.1Å; L698-M814 WeakPolarHBondContact O-CG 3.48Å
699	Y	96	Very high	89	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	-35	-167.9	-60.1	-75.7	0	0	0	116.7	L688 G697 A731 I734 K735 H801 L802 V805 L819 F823	L688-Y699 HydrophobicContact CD1-CE1 4.37Å; L688-Y699 HydrophobicContact CD1-CE2 4.45Å; L688-Y699 WeakPolarHBondContact CD1-OH 3.48Å; G697-Y699 PolarHBondContact O-N 3.2Å; Y699-A731 HydrophobicContact CD1-CB 3.57Å; Y699-A731 WeakPolarHBondContact CD1-O 3.41Å; Y699-A731 HydrophobicContact CE1-CB 3.65Å; Y699-A731 WeakPolarHBondContact CE1-O 3.4Å; Y699-A731 HydrophobicContact CG-CB 4.03Å; Y699-I734 HydrophobicContact CE1-CB 4.22Å; Y699-I734 HydrophobicContact CE1-CD1 4.14Å; Y699-I734 HydrophobicContact CE1-CG2 4.39Å; Y699-I734 VanDerWaalsContact OH-CD1 3.24Å; Y699-I734 WeakPolarHBondContact OH-CD1 3.37Å; Y699-K735 HydrophobicContact CD1-CD 4.31Å; Y699-K735 HydrophobicContact CD1-CG 4.06Å; Y699-K735 VanDerWaalsContact O-CE 3.29Å; Y699-K735 WeakPolarHBondContact O-CE 3.37Å; Y699-K735 PolarHBondContact O-NZ 3.28Å; Y699-H801 AromaticContact CE2-NE2 3.7Å; Y699-H801 AromaticContact CZ-CD2 3.98Å; Y699-H801 AromaticContact CZ-NE2 3.69Å; Y699-H801 PolarHBondContact OH-CD2 3.06Å; Y699-H801 PolarHBondContact OH-NE2 3.16Å; Y699-L802 HydrophobicContact CD2-CD2 3.96Å; Y699-L802 HydrophobicContact CE2-CD2 3.66Å; Y699-V805 HydrophobicContact CE2-CG2 4.21Å; Y699-L819 HydrophobicContact CD2-CD2 4.04Å; Y699-F823 AromaticContact CD1-CE2 3.63Å; Y699-F823 HydrophobicContact CD1-CE2 3.63Å; Y699-F823 AromaticContact CD1-CZ 3.45Å; Y699-F823 HydrophobicContact CD1-CZ 3.45Å; Y699-F823 VanDerWaalsContact CD1-CZ 3.45Å; Y699-F823 HydrophobicContact CD2-CE2 4.15Å; Y699-F823 HydrophobicContact CE1-CE2 4.14Å; Y699-F823 AromaticContact CE1-CZ 3.61Å; Y699-F823 HydrophobicContact CE1-CZ 3.61Å; Y699-F823 AromaticContact CG-CE2 3.64Å; Y699-F823 HydrophobicContact CG-CE2 3.64Å; Y699-F823 AromaticContact CG-CZ 3.96Å; Y699-F823 HydrophobicContact CG-CZ 3.96Å
700	R	91.6	Very high	88.5	Confident	123 Å²	123	65.4 Å²	65.4	46%	0.464	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-45.3	175.7	-174.7	170.3	70.6	-141.7	-1.7	112.6	G697 L698 C702 Q813 M814 V822	G697-R700 PolarHBondContact O-N 3.39Å; L698-R700 PolarHBondContact O-N 3.36Å; R700-C702 PolarHBondContact O-N 2.89Å; R700-Q813 PolarHBondContact NH1-O 2.92Å; R700-Q813 VanDerWaalsContact NH1-O 3.09Å; R700-M814 HydrophobicContact CB-CE 3.8Å; R700-M814 HydrophobicContact CB-SD 3.59Å; R700-M814 VanDerWaalsContact CB-SD 3.59Å; R700-V822 HydrophobicContact CB-CG2 4.3Å
701	V	87	Confident	88.3	Confident	68 Å²	68	58.2 Å²	58.2	41%	0.412	30%	0.3	S	S	.	.	S	Bend	trans	-74.9	120.2	179.2	175.2	0	0	0	0	110	G697 T728	G697-V701 WeakPolarHBondContact O-CB 3.47Å; G697-V701 WeakPolarHBondContact O-CG2 3.46Å; G697-V701 PolarHBondContact O-N 2.85Å; V701-T728 HydrophobicContact CB-CG2 4.11Å; V701-T728 HydrophobicContact CG1-CG2 3.98Å
702	C	81.9	Confident	88	Confident	101 Å²	101	54.6 Å²	54.6	68%	0.682	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-67.2	133.1	175.7	-69.2	0	0	0	0	112	R700	R700-C702 PolarHBondContact O-N 2.89Å
703	G	79.5	Confident	87.6	Confident	13 Å²	13	57.1 Å²	57.1	13%	0.134	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-73.2	168.1	170.9	0	0	0	0	0	113.2	K705 I708 N729 S732	G703-K705 PolarHBondContact O-N 3.47Å; G703-I708 WeakPolarHBondContact O-CD1 3.38Å; G703-N729 WeakPolarHBondContact CA-OD1 3.4Å; G703-S732 PolarHBondContact N-OG 2.88Å
704	V	84.3	Confident	87.2	Confident	84 Å²	84	60.9 Å²	60.9	51%	0.509	32%	0.315	S	S	.	.			trans	-72.9	114.4	-178.8	-179.5	0	0	0	0	110.1	S706 S707 I708 N729	V704-S706 VanDerWaalsContact C-N 3.35Å; V704-S706 PolarHBondContact O-N 3.46Å; V704-S707 WeakPolarHBondContact O-CA 3.39Å; V704-S707 WeakPolarHBondContact O-CB 3.43Å; V704-S707 PolarHBondContact O-N 3.32Å; V704-I708 PolarHBondContact O-N 3.4Å; V704-N729 PolarHBondContact N-OD1 3.35Å
705	K	78.2	Confident	87	Confident	149 Å²	149	56.4 Å²	56.4	65%	0.648	29%	0.291	S	S	*	.	H	α-helix	trans	-47.2	-49.1	-174.3	-179.7	173.5	174.1	175.2	0	114.2	G703 S707 I708 E709	G703-K705 PolarHBondContact O-N 3.47Å; K705-S707 VanDerWaalsContact C-N 3.26Å; K705-S707 PolarHBondContact O-N 3.14Å; K705-I708 WeakPolarHBondContact O-CB 3.4Å; K705-I708 PolarHBondContact O-N 3.47Å; K705-I708 VanDerWaalsContact O-N 3.15Å; K705-E709 WeakPolarHBondContact CE-OE1 3.23Å; K705-E709 HydrophobicContact CG-CG 4.43Å; K705-E709 IonicContact NZ-OE1 2.68Å; K705-E709 WeakPolarHBondContact O-CG 3.46Å; K705-E709 PolarHBondContact O-N 3.16Å
706	S	81.2	Confident	86.5	Confident	67 Å²	67	55.9 Å²	55.9	47%	0.469	29%	0.286	S	S	.	.	H	α-helix	trans	-68	-22.9	-179.6	54.2	0	0	0	0	114	V704 Q710	V704-S706 VanDerWaalsContact C-N 3.35Å; V704-S706 PolarHBondContact O-N 3.46Å; S706-Q710 VanDerWaalsContact O-CG 3.29Å; S706-Q710 WeakPolarHBondContact O-CG 3.43Å; S706-Q710 PolarHBondContact O-N 3.17Å; S706-Q710 PolarHBondContact O-NE2 2.93Å; S706-Q710 VanDerWaalsContact O-NE2 3.15Å
707	S	86	Confident	85.9	Confident	31 Å²	31	56.8 Å²	56.8	22%	0.217	29%	0.285	C	S	.	.	H	α-helix	trans	-80.2	-39.6	169.9	179.8	0	0	0	0	111.2	V704 K705 E709 Q710 I711 N729	V704-S707 WeakPolarHBondContact O-CA 3.39Å; V704-S707 WeakPolarHBondContact O-CB 3.43Å; V704-S707 PolarHBondContact O-N 3.32Å; K705-S707 VanDerWaalsContact C-N 3.26Å; K705-S707 PolarHBondContact O-N 3.14Å; S707-E709 VanDerWaalsContact C-N 3.34Å; S707-Q710 PolarHBondContact O-N 3Å; S707-I711 WeakPolarHBondContact O-CD1 3.29Å; S707-I711 WeakPolarHBondContact O-CG1 3.5Å; S707-I711 PolarHBondContact O-N 3.2Å; S707-N729 VanDerWaalsContact CB-ND2 3.32Å; S707-N729 WeakPolarHBondContact CB-ND2 3.38Å; S707-N729 PolarHBondContact OG-ND2 3.35Å
708	I	87.1	Confident	85.3	Confident	20 Å²	20	62.9 Å²	62.9	10%	0.103	31%	0.313	C	S	.	.	H	α-helix	trans	-58	-48.6	174	-65.4	166.4	0	0	0	109.5	G703 V704 K705 Q710 I711 C712 N729 S732 I733 L736	G703-I708 WeakPolarHBondContact O-CD1 3.38Å; V704-I708 PolarHBondContact O-N 3.4Å; K705-I708 WeakPolarHBondContact O-CB 3.4Å; K705-I708 PolarHBondContact O-N 3.47Å; K705-I708 VanDerWaalsContact O-N 3.15Å; I708-Q710 VanDerWaalsContact C-N 3.33Å; I708-Q710 PolarHBondContact O-N 2.9Å; I708-I711 PolarHBondContact O-N 3.13Å; I708-C712 PolarHBondContact O-N 3.37Å; I708-N729 HydrophobicContact CG1-CB 4.48Å; I708-S732 VanDerWaalsContact CD1-CB 3.47Å; I708-I733 HydrophobicContact CB-CD1 4.43Å; I708-I733 HydrophobicContact CG2-CD1 3.67Å; I708-I733 HydrophobicContact CG2-CG1 4.38Å; I708-I733 WeakPolarHBondContact O-CD1 3.45Å; I708-L736 HydrophobicContact CG2-CD2 3.64Å
709	E	85.4	Confident	84.7	Confident	73 Å²	73	68.6 Å²	68.6	34%	0.341	34%	0.339	S	S	.	.	H	α-helix	trans	-57.4	-43	176.6	-71	169.3	158.5	0	0	112.1	K705 S707 I711 C712 D713	K705-E709 WeakPolarHBondContact CE-OE1 3.23Å; K705-E709 HydrophobicContact CG-CG 4.43Å; K705-E709 IonicContact NZ-OE1 2.68Å; K705-E709 WeakPolarHBondContact O-CG 3.46Å; K705-E709 PolarHBondContact O-N 3.16Å; S707-E709 VanDerWaalsContact C-N 3.34Å; E709-I711 VanDerWaalsContact C-N 3.32Å; E709-I711 PolarHBondContact O-N 3.18Å; E709-C712 PolarHBondContact O-N 3.1Å; E709-D713 WeakPolarHBondContact O-CB 3.36Å; E709-D713 VanDerWaalsContact O-CG 3.24Å; E709-D713 PolarHBondContact O-N 3.46Å; E709-D713 VanDerWaalsContact O-OD1 3.13Å
710	Q	85.3	Confident	84	Confident	113 Å²	113	71 Å²	71	53%	0.528	35%	0.354	S	S	.	.	H	α-helix	trans	-66.5	-28.6	174.9	-73.9	171.1	44.7	0	0	114.1	S706 S707 I708 R714	S706-Q710 VanDerWaalsContact O-CG 3.29Å; S706-Q710 WeakPolarHBondContact O-CG 3.43Å; S706-Q710 PolarHBondContact O-N 3.17Å; S706-Q710 PolarHBondContact O-NE2 2.93Å; S706-Q710 VanDerWaalsContact O-NE2 3.15Å; S707-Q710 PolarHBondContact O-N 3Å; I708-Q710 VanDerWaalsContact C-N 3.33Å; I708-Q710 PolarHBondContact O-N 2.9Å; Q710-R714 WeakPolarHBondContact O-CG 3.49Å; Q710-R714 PolarHBondContact O-N 3.27Å
711	I	88.6	Confident	83.8	Confident	4 Å²	4	70.6 Å²	70.6	2%	0.021	36%	0.358	C	S	.	.	H	α-helix	trans	-79.2	-41.3	177.8	-62.1	151.6	0	0	0	110	S707 I708 E709 D713 R714 F715 L722 V725 N729 I733	S707-I711 WeakPolarHBondContact O-CD1 3.29Å; S707-I711 WeakPolarHBondContact O-CG1 3.5Å; S707-I711 PolarHBondContact O-N 3.2Å; I708-I711 PolarHBondContact O-N 3.13Å; E709-I711 VanDerWaalsContact C-N 3.32Å; E709-I711 PolarHBondContact O-N 3.18Å; I711-D713 VanDerWaalsContact C-N 3.3Å; I711-D713 PolarHBondContact O-N 3.43Å; I711-R714 WeakPolarHBondContact O-CB 3.4Å; I711-R714 PolarHBondContact O-N 2.7Å; I711-R714 VanDerWaalsContact O-N 3.11Å; I711-F715 HydrophobicContact CG2-CD2 3.83Å; I711-F715 HydrophobicContact CG2-CE2 3.73Å; I711-F715 WeakPolarHBondContact O-CD2 3.3Å; I711-F715 PolarHBondContact O-N 2.76Å; I711-L722 HydrophobicContact CG2-CD2 3.88Å; I711-V725 HydrophobicContact CD1-CG1 3.44Å; I711-V725 VanDerWaalsContact CD1-CG1 3.44Å; I711-V725 HydrophobicContact CD1-CG2 4.39Å; I711-V725 HydrophobicContact CG1-CG1 4.27Å; I711-V725 HydrophobicContact CG1-CG2 4.36Å; I711-N729 HydrophobicContact CD1-CB 3.96Å; I711-I733 HydrophobicContact CB-CD1 3.82Å; I711-I733 HydrophobicContact CB-CG1 4.15Å; I711-I733 HydrophobicContact CD1-CG1 4.47Å; I711-I733 HydrophobicContact CG2-CD1 3.79Å; I711-I733 HydrophobicContact CG2-CG1 3.79Å
712	C	87.4	Confident	84	Confident	8 Å²	8	68 Å²	68	5%	0.054	34%	0.341	C	S	.	.	H	α-helix	trans	-54	-48.9	168.3	-69.8	0	0	0	0	110.8	F662 I708 E709 R714 F715 E716 I733	F662-C712 HydrophobicContact CD2-CB 4.29Å; F662-C712 HydrophobicContact CE2-CB 3.96Å; F662-C712 HydrophobicContact CZ-CB 4.25Å; F662-C712 VanDerWaalsContact CZ-SG 3.55Å; I708-C712 PolarHBondContact O-N 3.37Å; E709-C712 PolarHBondContact O-N 3.1Å; C712-R714 PolarHBondContact O-N 3.12Å; C712-F715 PolarHBondContact O-N 3.1Å; C712-F715 VanDerWaalsContact O-N 3.13Å; C712-E716 WeakPolarHBondContact O-CB 3.37Å; C712-E716 WeakPolarHBondContact O-CG 3.35Å; C712-E716 PolarHBondContact O-N 3.36Å; C712-I733 WeakPolarHBondContact SG-CD1 3.48Å
713	D	84.2	Confident	84.3	Confident	53 Å²	53	65.9 Å²	65.9	28%	0.283	33%	0.327	S	S	.	.	H	α-helix	trans	-62.6	-21.4	179.1	-73.2	13.7	0	0	0	113.8	R657 E709 I711 R717	R657-D713 IonicContact CZ-OD1 2.75Å; R657-D713 IonicContact NH1-OD1 3.18Å; R657-D713 PolarHBondContact NH1-OD1 3.01Å; R657-D713 IonicContact NH2-OD1 2.7Å; E709-D713 WeakPolarHBondContact O-CB 3.36Å; E709-D713 VanDerWaalsContact O-CG 3.24Å; E709-D713 PolarHBondContact O-N 3.46Å; E709-D713 VanDerWaalsContact O-OD1 3.13Å; I711-D713 VanDerWaalsContact C-N 3.3Å; I711-D713 PolarHBondContact O-N 3.43Å; D713-R717 WeakPolarHBondContact O-CD 3.46Å; D713-R717 WeakPolarHBondContact O-CG 3.33Å; D713-R717 PolarHBondContact O-NE 3.22Å
714	R	87.8	Confident	84.8	Confident	87 Å²	87	69.7 Å²	69.7	33%	0.328	35%	0.352	S	S	.	.	H	α-helix	trans	-81.6	-44.4	170.9	-74.9	178.9	-159.6	-173.4	1.4	112.1	Q710 I711 C712 E716 R717 Q718 E719 E721	Q710-R714 WeakPolarHBondContact O-CG 3.49Å; Q710-R714 PolarHBondContact O-N 3.27Å; I711-R714 WeakPolarHBondContact O-CB 3.4Å; I711-R714 PolarHBondContact O-N 2.7Å; I711-R714 VanDerWaalsContact O-N 3.11Å; C712-R714 PolarHBondContact O-N 3.12Å; R714-E716 VanDerWaalsContact C-N 3.32Å; R714-E716 PolarHBondContact O-N 3.28Å; R714-R717 CarbonylContact O-C 3.57Å; R714-R717 PolarHBondContact O-N 2.96Å; R714-Q718 PolarHBondContact O-N 2.91Å; R714-Q718 VanDerWaalsContact O-N 3.07Å; R714-E719 PolarHBondContact O-N 3.19Å; R714-E721 PolarHBondContact NH1-O 2.93Å; R714-E721 VanDerWaalsContact NH1-O 3.15Å
715	F	88.5	Confident	85.1	Confident	1 Å²	1	66.3 Å²	66.3	0%	0.004	33%	0.331	C	S	.	.	H	α-helix	trans	-57.7	-45.5	174.4	-86.7	-69.1	0	0	0	111.4	I661 F662 V680 A683 I711 C712 R717 Q718 V720 L722 I733	I661-F715 HydrophobicContact CD1-CB 4.37Å; I661-F715 WeakPolarHBondContact CD1-O 3.43Å; F662-F715 HydrophobicContact CE2-CB 4.03Å; V680-F715 HydrophobicContact CB-CD1 4.42Å; V680-F715 HydrophobicContact CB-CE1 4.31Å; V680-F715 HydrophobicContact CG1-CE2 4.39Å; V680-F715 HydrophobicContact CG1-CZ 4.39Å; V680-F715 HydrophobicContact CG2-CB 4.32Å; V680-F715 HydrophobicContact CG2-CD1 3.72Å; V680-F715 HydrophobicContact CG2-CD2 4.49Å; V680-F715 HydrophobicContact CG2-CE1 4.09Å; V680-F715 HydrophobicContact CG2-CG 3.95Å; A683-F715 HydrophobicContact CB-CE1 4.32Å; A683-F715 HydrophobicContact CB-CZ 4.45Å; I711-F715 HydrophobicContact CG2-CD2 3.83Å; I711-F715 HydrophobicContact CG2-CE2 3.73Å; I711-F715 WeakPolarHBondContact O-CD2 3.3Å; I711-F715 PolarHBondContact O-N 2.76Å; C712-F715 PolarHBondContact O-N 3.1Å; C712-F715 VanDerWaalsContact O-N 3.13Å; F715-R717 PolarHBondContact O-N 3.32Å; F715-R717 VanDerWaalsContact O-N 3.08Å; F715-Q718 PolarHBondContact O-N 3.04Å; F715-V720 HydrophobicContact CD1-CB 4.43Å; F715-V720 HydrophobicContact CD1-CG1 4.11Å; F715-V720 HydrophobicContact CD1-CG2 3.38Å; F715-V720 HydrophobicContact CE1-CB 4.27Å; F715-V720 HydrophobicContact CE1-CG1 3.52Å; F715-V720 HydrophobicContact CE1-CG2 3.64Å; F715-V720 HydrophobicContact CE2-CG1 4.48Å; F715-V720 HydrophobicContact CG-CG2 4.07Å; F715-V720 HydrophobicContact CZ-CG1 3.74Å; F715-L722 HydrophobicContact CE2-CD2 4.12Å; F715-L722 HydrophobicContact CZ-CD1 4.1Å; F715-L722 HydrophobicContact CZ-CD2 4.32Å; F715-I733 HydrophobicContact CD2-CG2 4.32Å; F715-I733 HydrophobicContact CE2-CG2 3.97Å
716	E	83	Confident	85.8	Confident	32 Å²	32	64.1 Å²	64.1	15%	0.15	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-9.4	175.9	-67.4	-70.2	-178.2	0	0	114.2	T659 C660 I661 F662 C712 R714	T659-E716 WeakPolarHBondContact CA-OE1 3.39Å; T659-E716 WeakPolarHBondContact CA-OE2 3.31Å; T659-E716 WeakPolarHBondContact CB-OE1 3.38Å; T659-E716 VanDerWaalsContact CG2-OE1 3.28Å; T659-E716 WeakPolarHBondContact CG2-OE1 3.26Å; C660-E716 PolarHBondContact N-OE2 3.24Å; C660-E716 PolarHBondContact SG-OE2 3.38Å; I661-E716 WeakPolarHBondContact CB-OE1 3.38Å; I661-E716 PolarHBondContact N-OE1 3.15Å; I661-E716 PolarHBondContact N-OE2 3.16Å; F662-E716 HydrophobicContact CD2-CG 4.14Å; F662-E716 WeakPolarHBondContact CD2-OE1 3.4Å; F662-E716 PolarHBondContact N-OE1 3.37Å; C712-E716 WeakPolarHBondContact O-CB 3.37Å; C712-E716 WeakPolarHBondContact O-CG 3.35Å; C712-E716 PolarHBondContact O-N 3.36Å; R714-E716 VanDerWaalsContact C-N 3.32Å; R714-E716 PolarHBondContact O-N 3.28Å
717	R	79	Confident	86.5	Confident	164 Å²	164	61.7 Å²	61.7	62%	0.619	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-4.9	171.3	-63.2	169.9	-163.2	-151.2	1.3	113.3	D713 R714 F715 E719	D713-R717 WeakPolarHBondContact O-CD 3.46Å; D713-R717 WeakPolarHBondContact O-CG 3.33Å; D713-R717 PolarHBondContact O-NE 3.22Å; R714-R717 CarbonylContact O-C 3.57Å; R714-R717 PolarHBondContact O-N 2.96Å; F715-R717 PolarHBondContact O-N 3.32Å; F715-R717 VanDerWaalsContact O-N 3.08Å; R717-E719 HydrophobicContact CB-CB 4.18Å; R717-E719 HydrophobicContact CB-CG 3.82Å; R717-E719 WeakPolarHBondContact CD-OE2 3.36Å; R717-E719 IonicContact NH1-OE2 3.48Å; R717-E719 PolarHBondContact O-N 2.75Å
718	Q	77.1	Confident	86.8	Confident	130 Å²	130	61.3 Å²	61.3	61%	0.607	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	19.1	-167.9	-55.3	176.9	-12.6	0	0	113.8	R714 F715 V720	R714-Q718 PolarHBondContact O-N 2.91Å; R714-Q718 VanDerWaalsContact O-N 3.07Å; F715-Q718 PolarHBondContact O-N 3.04Å; Q718-V720 VanDerWaalsContact C-N 3.31Å; Q718-V720 PolarHBondContact O-N 3.38Å
719	E	79.5	Confident	87.2	Confident	119 Å²	119	60.7 Å²	60.7	56%	0.556	30%	0.302	S	S	*	.			trans	-90	54.5	179	-66.4	178.5	146.8	0	0	111.2	R714 R717 E721	R714-E719 PolarHBondContact O-N 3.19Å; R717-E719 HydrophobicContact CB-CB 4.18Å; R717-E719 HydrophobicContact CB-CG 3.82Å; R717-E719 WeakPolarHBondContact CD-OE2 3.36Å; R717-E719 IonicContact NH1-OE2 3.48Å; R717-E719 PolarHBondContact O-N 2.75Å; E719-E721 PolarHBondContact O-N 3.32Å
720	V	80.5	Confident	87.7	Confident	50 Å²	50	57.2 Å²	57.2	30%	0.303	29%	0.286	S	S	.	.			trans	-86.2	92.7	-165.6	-173.5	0	0	0	0	112.8	A683 F715 Q718 L722	A683-V720 HydrophobicContact CB-CG1 4.28Å; F715-V720 HydrophobicContact CD1-CB 4.43Å; F715-V720 HydrophobicContact CD1-CG1 4.11Å; F715-V720 HydrophobicContact CD1-CG2 3.38Å; F715-V720 HydrophobicContact CE1-CB 4.27Å; F715-V720 HydrophobicContact CE1-CG1 3.52Å; F715-V720 HydrophobicContact CE1-CG2 3.64Å; F715-V720 HydrophobicContact CE2-CG1 4.48Å; F715-V720 HydrophobicContact CG-CG2 4.07Å; F715-V720 HydrophobicContact CZ-CG1 3.74Å; Q718-V720 VanDerWaalsContact C-N 3.31Å; Q718-V720 PolarHBondContact O-N 3.38Å; V720-L722 HydrophobicContact CG1-CD1 4.3Å; V720-L722 HydrophobicContact CG1-CD2 4.32Å; V720-L722 HydrophobicContact CG1-CG 3.97Å
721	E	87.9	Confident	88.2	Confident	116 Å²	116	51.9 Å²	51.9	54%	0.542	26%	0.261	S	S	.	.			trans	-112.9	119.1	159.7	-165.6	-168.2	-175.1	0	0	110.9	R714 E719 S723	R714-E721 PolarHBondContact NH1-O 2.93Å; R714-E721 VanDerWaalsContact NH1-O 3.15Å; E719-E721 PolarHBondContact O-N 3.32Å; E721-S723 VanDerWaalsContact CD-OG 3.24Å; E721-S723 WeakPolarHBondContact CG-OG 3.42Å; E721-S723 PolarHBondContact OE1-OG 3.34Å
722	L	91.5	Very high	88.5	Confident	14 Å²	14	52.1 Å²	52.1	7%	0.073	26%	0.263	C	S	.	.			trans	-109.9	-8.1	-179.9	-56.8	179.5	0	0	0	114.1	A683 E687 R691 I711 F715 V720 S724 V725 I730	A683-L722 HydrophobicContact CB-CD1 4.33Å; A683-L722 WeakPolarHBondContact O-CD1 3.35Å; E687-L722 HydrophobicContact CB-CB 4.44Å; E687-L722 HydrophobicContact CB-CD1 4.4Å; E687-L722 HydrophobicContact CG-CB 3.9Å; R691-L722 PolarHBondContact NH2-O 3.05Å; I711-L722 HydrophobicContact CG2-CD2 3.88Å; F715-L722 HydrophobicContact CE2-CD2 4.12Å; F715-L722 HydrophobicContact CZ-CD1 4.1Å; F715-L722 HydrophobicContact CZ-CD2 4.32Å; V720-L722 HydrophobicContact CG1-CD1 4.3Å; V720-L722 HydrophobicContact CG1-CD2 4.32Å; V720-L722 HydrophobicContact CG1-CG 3.97Å; L722-S724 PolarHBondContact O-N 3.29Å; L722-V725 WeakPolarHBondContact O-CB 3.22Å; L722-V725 PolarHBondContact O-N 3.07Å; L722-I730 HydrophobicContact CB-CD1 4.21Å
723	S	88.3	Confident	88.8	Confident	55 Å²	55	51.8 Å²	51.8	39%	0.385	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.6	-40	-174.5	65.7	0	0	0	0	114.7	E687 R691 E721	E687-S723 VanDerWaalsContact OE1-CA 3.31Å; E687-S723 WeakPolarHBondContact OE1-CA 3.37Å; R691-S723 PolarHBondContact NH2-O 2.83Å; E721-S723 VanDerWaalsContact CD-OG 3.24Å; E721-S723 WeakPolarHBondContact CG-OG 3.42Å; E721-S723 PolarHBondContact OE1-OG 3.34Å
724	S	89.1	Confident	89.4	Confident	94 Å²	94	49.3 Å²	49.3	66%	0.657	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-1.8	-172.2	50.5	0	0	0	0	113.8	L722	L722-S724 PolarHBondContact O-N 3.29Å
725	V	91.3	Very high	89.7	Confident	12 Å²	12	46.4 Å²	46.4	7%	0.073	24%	0.238	C	C	.	.	S	Bend	trans	-84.5	146.2	-175.8	-179.6	0	0	0	0	110.8	R691 I711 L722 N729 I730	R691-V725 VanDerWaalsContact CZ-O 3.24Å; R691-V725 PolarHBondContact NH1-O 3.07Å; R691-V725 PolarHBondContact NH2-O 2.92Å; I711-V725 HydrophobicContact CD1-CG1 3.44Å; I711-V725 VanDerWaalsContact CD1-CG1 3.44Å; I711-V725 HydrophobicContact CD1-CG2 4.39Å; I711-V725 HydrophobicContact CG1-CG1 4.27Å; I711-V725 HydrophobicContact CG1-CG2 4.36Å; L722-V725 WeakPolarHBondContact O-CB 3.22Å; L722-V725 PolarHBondContact O-N 3.07Å; V725-N729 HydrophobicContact CG1-CB 3.9Å; V725-I730 HydrophobicContact CB-CD1 4.16Å; V725-I730 HydrophobicContact CB-CG1 4.09Å; V725-I730 HydrophobicContact CG1-CD1 4.28Å; V725-I730 HydrophobicContact CG1-CG1 3.68Å
726	L	93	Very high	89.8	Confident	104 Å²	104	48 Å²	48	55%	0.545	25%	0.246	S	C	.	.			trans	-68.5	135.7	174.4	-67.8	176.5	0	0	0	111.6	T728 N729 I730	L726-T728 PolarHBondContact O-N 2.98Å; L726-T728 VanDerWaalsContact O-N 3.16Å; L726-N729 WeakPolarHBondContact O-CB 3.45Å; L726-N729 PolarHBondContact O-N 3.33Å; L726-I730 PolarHBondContact O-N 2.8Å
727	P	95.1	Very high	90.3	Very high	15 Å²	15	46.6 Å²	46.6	10%	0.097	24%	0.239	C	C	.	.	H	α-helix	trans	-56.5	-33	-179.2	-29.9	38.8	0	0	0	114.4	L688 V695 L698 N729 I730 A731	L688-P727 HydrophobicContact CD2-CB 3.72Å; V695-P727 HydrophobicContact CG2-CB 4.04Å; V695-P727 HydrophobicContact CG2-CG 4.06Å; L698-P727 HydrophobicContact CD1-CB 4.24Å; P727-N729 VanDerWaalsContact C-N 3.3Å; P727-N729 PolarHBondContact O-N 3.05Å; P727-I730 PolarHBondContact O-N 3.34Å; P727-A731 WeakPolarHBondContact O-CB 3.46Å; P727-A731 PolarHBondContact O-N 3Å
728	T	94	Very high	91.1	Very high	24 Å²	24	38.9 Å²	38.9	15%	0.147	21%	0.21	C	C	.	.	H	α-helix	trans	-64.4	-31.1	174.5	48.1	0	0	0	0	113.3	V695 V701 L726 S732	V695-T728 HydrophobicContact CG1-CG2 4.11Å; V701-T728 HydrophobicContact CB-CG2 4.11Å; V701-T728 HydrophobicContact CG1-CG2 3.98Å; L726-T728 PolarHBondContact O-N 2.98Å; L726-T728 VanDerWaalsContact O-N 3.16Å; T728-S732 WeakPolarHBondContact O-CB 3.39Å; T728-S732 PolarHBondContact O-N 3.16Å; T728-S732 VanDerWaalsContact O-N 3.13Å; T728-S732 PolarHBondContact O-OG 3.19Å
729	N	94.3	Very high	91.6	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.032	20%	0.204	C	C	.	.	H	α-helix	trans	-72.6	-42.5	173.1	-62	-5.4	0	0	0	110.4	G703 V704 S707 I708 I711 V725 L726 P727 S732 I733	G703-N729 WeakPolarHBondContact CA-OD1 3.4Å; V704-N729 PolarHBondContact N-OD1 3.35Å; S707-N729 VanDerWaalsContact CB-ND2 3.32Å; S707-N729 WeakPolarHBondContact CB-ND2 3.38Å; S707-N729 PolarHBondContact OG-ND2 3.35Å; I708-N729 HydrophobicContact CG1-CB 4.48Å; I711-N729 HydrophobicContact CD1-CB 3.96Å; V725-N729 HydrophobicContact CG1-CB 3.9Å; L726-N729 WeakPolarHBondContact O-CB 3.45Å; L726-N729 PolarHBondContact O-N 3.33Å; P727-N729 VanDerWaalsContact C-N 3.3Å; P727-N729 PolarHBondContact O-N 3.05Å; N729-S732 WeakPolarHBondContact O-CB 3.23Å; N729-S732 PolarHBondContact O-N 2.58Å; N729-S732 VanDerWaalsContact O-N 3.16Å; N729-I733 WeakPolarHBondContact O-CG1 3.33Å; N729-I733 PolarHBondContact O-N 3.34Å
730	I	96.2	Very high	92	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-48.2	177.2	-57.1	175.5	0	0	0	110.9	C684 E687 L688 L722 V725 L726 P727 S732 I733 I734	C684-I730 HydrophobicContact CB-CG2 3.51Å; E687-I730 HydrophobicContact CB-CD1 4.4Å; E687-I730 HydrophobicContact CG-CD1 3.59Å; L688-I730 HydrophobicContact CD1-CG2 4.05Å; L688-I730 HydrophobicContact CD2-CB 4.1Å; L688-I730 HydrophobicContact CD2-CG2 4.15Å; L688-I730 HydrophobicContact CG-CB 4.29Å; L688-I730 HydrophobicContact CG-CG2 3.78Å; L722-I730 HydrophobicContact CB-CD1 4.21Å; V725-I730 HydrophobicContact CB-CD1 4.16Å; V725-I730 HydrophobicContact CB-CG1 4.09Å; V725-I730 HydrophobicContact CG1-CD1 4.28Å; V725-I730 HydrophobicContact CG1-CG1 3.68Å; L726-I730 PolarHBondContact O-N 2.8Å; P727-I730 PolarHBondContact O-N 3.34Å; I730-S732 PolarHBondContact O-N 3.5Å; I730-I733 WeakPolarHBondContact O-CB 3.43Å; I730-I733 PolarHBondContact O-N 2.99Å; I730-I734 PolarHBondContact O-N 3.1Å
731	A	96.3	Very high	92.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.8	-32.7	174	0	0	0	0	0	112.6	L688 L698 Y699 P727 K735	L688-A731 HydrophobicContact CD1-CB 4.12Å; L698-A731 HydrophobicContact CD1-CB 3.8Å; L698-A731 HydrophobicContact CG-CB 4.29Å; Y699-A731 HydrophobicContact CD1-CB 3.57Å; Y699-A731 WeakPolarHBondContact CD1-O 3.41Å; Y699-A731 HydrophobicContact CE1-CB 3.65Å; Y699-A731 WeakPolarHBondContact CE1-O 3.4Å; Y699-A731 HydrophobicContact CG-CB 4.03Å; P727-A731 WeakPolarHBondContact O-CB 3.46Å; P727-A731 PolarHBondContact O-N 3Å; A731-K735 PolarHBondContact O-N 3.34Å
732	S	93.5	Very high	92.4	Very high	10 Å²	10	32.9 Å²	32.9	7%	0.07	18%	0.18	C	C	.	.	H	α-helix	trans	-73.7	-27.3	174.6	-61	0	0	0	0	113.4	G703 I708 T728 N729 I730 L736	G703-S732 PolarHBondContact N-OG 2.88Å; I708-S732 VanDerWaalsContact CD1-CB 3.47Å; T728-S732 WeakPolarHBondContact O-CB 3.39Å; T728-S732 PolarHBondContact O-N 3.16Å; T728-S732 VanDerWaalsContact O-N 3.13Å; T728-S732 PolarHBondContact O-OG 3.19Å; N729-S732 WeakPolarHBondContact O-CB 3.23Å; N729-S732 PolarHBondContact O-N 2.58Å; N729-S732 VanDerWaalsContact O-N 3.16Å; I730-S732 PolarHBondContact O-N 3.5Å; S732-L736 VanDerWaalsContact O-CB 3.24Å; S732-L736 WeakPolarHBondContact O-CB 3.49Å; S732-L736 PolarHBondContact O-N 3.28Å
733	I	94.5	Very high	92.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.3	-45	174.5	-70.1	-76.8	0	0	0	111	F662 V680 I708 I711 C712 F715 N729 I730 K735 L736 Y737	F662-I733 HydrophobicContact CE1-CG2 4.45Å; F662-I733 HydrophobicContact CZ-CG2 4.06Å; V680-I733 HydrophobicContact CG1-CG2 3.54Å; I708-I733 HydrophobicContact CB-CD1 4.43Å; I708-I733 HydrophobicContact CG2-CD1 3.67Å; I708-I733 HydrophobicContact CG2-CG1 4.38Å; I708-I733 WeakPolarHBondContact O-CD1 3.45Å; I711-I733 HydrophobicContact CB-CD1 3.82Å; I711-I733 HydrophobicContact CB-CG1 4.15Å; I711-I733 HydrophobicContact CD1-CG1 4.47Å; I711-I733 HydrophobicContact CG2-CD1 3.79Å; I711-I733 HydrophobicContact CG2-CG1 3.79Å; C712-I733 WeakPolarHBondContact SG-CD1 3.48Å; F715-I733 HydrophobicContact CD2-CG2 4.32Å; F715-I733 HydrophobicContact CE2-CG2 3.97Å; N729-I733 WeakPolarHBondContact O-CG1 3.33Å; N729-I733 PolarHBondContact O-N 3.34Å; I730-I733 WeakPolarHBondContact O-CB 3.43Å; I730-I733 PolarHBondContact O-N 2.99Å; I733-K735 PolarHBondContact O-N 2.78Å; I733-L736 PolarHBondContact O-N 3.49Å; I733-Y737 WeakPolarHBondContact O-CB 3.34Å; I733-Y737 PolarHBondContact O-N 3.3Å
734	I	96.6	Very high	92.6	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-50.7	176.3	-67.5	167.5	0	0	0	110.6	L681 C684 V685 L688 Y699 I730 L736 Y737 L738 L798 F823	L681-I734 HydrophobicContact CD1-CD1 4.37Å; L681-I734 HydrophobicContact CD1-CG1 4.31Å; L681-I734 HydrophobicContact CD1-CG2 3.91Å; C684-I734 HydrophobicContact CB-CD1 3.53Å; C684-I734 HydrophobicContact CB-CG1 3.53Å; V685-I734 HydrophobicContact CG2-CD1 4.16Å; L688-I734 HydrophobicContact CD1-CD1 3.89Å; Y699-I734 HydrophobicContact CE1-CB 4.22Å; Y699-I734 HydrophobicContact CE1-CD1 4.14Å; Y699-I734 HydrophobicContact CE1-CG2 4.39Å; Y699-I734 VanDerWaalsContact OH-CD1 3.24Å; Y699-I734 WeakPolarHBondContact OH-CD1 3.37Å; I730-I734 PolarHBondContact O-N 3.1Å; I734-L736 VanDerWaalsContact C-N 3.27Å; I734-L736 PolarHBondContact O-N 3.14Å; I734-Y737 PolarHBondContact O-N 3.47Å; I734-L738 HydrophobicContact CG2-CD1 3.9Å; I734-L738 WeakPolarHBondContact O-CG 3.42Å; I734-L738 PolarHBondContact O-N 3Å; I734-L738 VanDerWaalsContact O-N 3.08Å; I734-L798 HydrophobicContact CG2-CD1 3.96Å; I734-F823 HydrophobicContact CG2-CE1 4.28Å; I734-F823 HydrophobicContact CG2-CZ 4.47Å
735	K	93.9	Very high	92.9	Very high	26 Å²	26	29 Å²	29	11%	0.113	15%	0.145	C	C	.	.	H	α-helix	trans	-60.6	-35.6	177.1	-64	-170.8	-53.2	170.8	0	113	Y699 A731 I733 R739 V822 F823	Y699-K735 HydrophobicContact CD1-CD 4.31Å; Y699-K735 HydrophobicContact CD1-CG 4.06Å; Y699-K735 VanDerWaalsContact O-CE 3.29Å; Y699-K735 WeakPolarHBondContact O-CE 3.37Å; Y699-K735 PolarHBondContact O-NZ 3.28Å; A731-K735 PolarHBondContact O-N 3.34Å; I733-K735 PolarHBondContact O-N 2.78Å; K735-R739 WeakPolarHBondContact O-CB 3.19Å; K735-R739 PolarHBondContact O-N 2.88Å; K735-V822 HydrophobicContact CD-CG1 3.46Å; K735-V822 VanDerWaalsContact CD-CG1 3.46Å; K735-F823 HydrophobicContact CG-CE1 4.21Å; K735-F823 HydrophobicContact CG-CZ 4.02Å
736	L	91	Very high	93.2	Very high	34 Å²	34	28.4 Å²	28.4	18%	0.178	14%	0.141	C	C	.	.	H	α-helix	trans	-71.3	-42.8	178.6	180	61.6	0	0	0	111.3	I708 S732 I733 I734 Q740	I708-L736 HydrophobicContact CG2-CD2 3.64Å; S732-L736 VanDerWaalsContact O-CB 3.24Å; S732-L736 WeakPolarHBondContact O-CB 3.49Å; S732-L736 PolarHBondContact O-N 3.28Å; I733-L736 PolarHBondContact O-N 3.49Å; I734-L736 VanDerWaalsContact C-N 3.27Å; I734-L736 PolarHBondContact O-N 3.14Å; L736-Q740 HydrophobicContact CD1-CG 4.03Å; L736-Q740 VanDerWaalsContact O-CB 3.26Å; L736-Q740 WeakPolarHBondContact O-CB 3.41Å; L736-Q740 VanDerWaalsContact O-CG 3.24Å; L736-Q740 WeakPolarHBondContact O-CG 3.43Å; L736-Q740 PolarHBondContact O-N 3.37Å; L736-Q740 VanDerWaalsContact O-N 3.08Å
737	Y	94.2	Very high	93.2	Very high	3 Å²	3	23.8 Å²	23.8	1%	0.012	12%	0.118	C	C	.	.	H	α-helix	trans	-58.5	-53.3	176.4	177.3	-101.3	0	0	0	111.4	I661 F662 P678 V680 I733 I734 R739 Q740 L741	I661-Y737 HydrophobicContact CG2-CD2 4.14Å; I661-Y737 HydrophobicContact CG2-CE2 3.78Å; F662-Y737 HydrophobicContact CD1-CD2 4.09Å; F662-Y737 HydrophobicContact CE1-CD2 4.12Å; F662-Y737 HydrophobicContact CE1-CG 4.45Å; P678-Y737 HydrophobicContact CB-CE1 3.9Å; P678-Y737 WeakPolarHBondContact CB-OH 3.32Å; P678-Y737 HydrophobicContact CG-CE1 3.78Å; P678-Y737 WeakPolarHBondContact CG-OH 3.36Å; V680-Y737 HydrophobicContact CB-CD2 4.24Å; V680-Y737 HydrophobicContact CB-CG 4.29Å; V680-Y737 HydrophobicContact CG1-CD2 4.32Å; V680-Y737 HydrophobicContact CG1-CG 4.11Å; V680-Y737 HydrophobicContact CG2-CD2 4.21Å; I733-Y737 WeakPolarHBondContact O-CB 3.34Å; I733-Y737 PolarHBondContact O-N 3.3Å; I734-Y737 PolarHBondContact O-N 3.47Å; Y737-R739 PolarHBondContact O-N 3.44Å; Y737-Q740 CarbonylContact O-C 3.59Å; Y737-Q740 PolarHBondContact O-N 3.41Å; Y737-L741 HydrophobicContact CE1-CD2 4.08Å; Y737-L741 HydrophobicContact CE2-CD2 4.42Å; Y737-L741 PolarHBondContact O-N 2.81Å
738	L	94.7	Very high	93	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-59.2	-48.9	-178.3	-66.7	167.8	0	0	0	112.3	I734 Q740 L741 L745 L798 F823 W829	I734-L738 HydrophobicContact CG2-CD1 3.9Å; I734-L738 WeakPolarHBondContact O-CG 3.42Å; I734-L738 PolarHBondContact O-N 3Å; I734-L738 VanDerWaalsContact O-N 3.08Å; L738-Q740 PolarHBondContact O-N 3.41Å; L738-L741 HydrophobicContact CD2-CD1 4.47Å; L738-L741 WeakPolarHBondContact O-CB 3.47Å; L738-L741 WeakPolarHBondContact O-CG 3.33Å; L738-L741 PolarHBondContact O-N 3.15Å; L738-L741 VanDerWaalsContact O-N 3.14Å; L738-L745 HydrophobicContact CD2-CD2 3.9Å; L738-L798 HydrophobicContact CD1-CD1 4.26Å; L738-L798 HydrophobicContact CD1-CD2 3.56Å; L738-L798 HydrophobicContact CD2-CD2 4.36Å; L738-F823 HydrophobicContact CD1-CD1 4.09Å; L738-F823 HydrophobicContact CD1-CE1 3.75Å; L738-W829 WeakPolarHBondContact O-CH2 3.45Å
739	R	89.2	Confident	93	Very high	127 Å²	127	31.1 Å²	31.1	48%	0.479	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-5.8	177	-163.6	-179.4	60.4	-104	-6.8	113.7	K735 Y737	K735-R739 WeakPolarHBondContact O-CB 3.19Å; K735-R739 PolarHBondContact O-N 2.88Å; Y737-R739 PolarHBondContact O-N 3.44Å
740	Q	87.3	Confident	93	Very high	82 Å²	82	31.1 Å²	31.1	38%	0.383	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	5	172.4	-73.5	-174.3	-41.7	0	0	112.8	G663 L736 Y737 L738	G663-Q740 WeakPolarHBondContact CA-O 3.4Å; G663-Q740 PolarHBondContact N-O 3.1Å; L736-Q740 HydrophobicContact CD1-CG 4.03Å; L736-Q740 VanDerWaalsContact O-CB 3.26Å; L736-Q740 WeakPolarHBondContact O-CB 3.41Å; L736-Q740 VanDerWaalsContact O-CG 3.24Å; L736-Q740 WeakPolarHBondContact O-CG 3.43Å; L736-Q740 PolarHBondContact O-N 3.37Å; L736-Q740 VanDerWaalsContact O-N 3.08Å; Y737-Q740 CarbonylContact O-C 3.59Å; Y737-Q740 PolarHBondContact O-N 3.41Å; L738-Q740 PolarHBondContact O-N 3.41Å
741	L	90	Very high	92.8	Very high	9 Å²	9	31.3 Å²	31.3	5%	0.047	15%	0.153	C	C	.	.	S	Bend	trans	-65.8	140.1	164.3	-64.1	177	0	0	0	109.1	L666 Y737 L738 E743 W829	L666-L741 HydrophobicContact CB-CD2 4.18Å; Y737-L741 HydrophobicContact CE1-CD2 4.08Å; Y737-L741 HydrophobicContact CE2-CD2 4.42Å; Y737-L741 PolarHBondContact O-N 2.81Å; L738-L741 HydrophobicContact CD2-CD1 4.47Å; L738-L741 WeakPolarHBondContact O-CB 3.47Å; L738-L741 WeakPolarHBondContact O-CG 3.33Å; L738-L741 PolarHBondContact O-N 3.15Å; L738-L741 VanDerWaalsContact O-N 3.14Å; L741-E743 VanDerWaalsContact CB-O 3.22Å; L741-E743 WeakPolarHBondContact CB-O 3.47Å; L741-E743 PolarHBondContact O-N 3.24Å; L741-W829 WeakPolarHBondContact O-CZ2 3.5Å
742	P	87	Confident	92.6	Very high	72 Å²	72	34.8 Å²	34.8	47%	0.468	17%	0.172	S	C	.	.	S	Bend	trans	-65.5	-17.7	175.9	-27.2	37.5	0	0	0	115.2	V664 P665	V664-P742 WeakPolarHBondContact O-CD 3.04Å; P665-P742 HydrophobicContact CG-CG 4.08Å
743	E	89.5	Confident	92.6	Very high	79 Å²	79	40.8 Å²	40.8	37%	0.369	19%	0.193	S	C	.	.	S	Bend	trans	-131.7	144.4	173.3	-173.7	-175.9	-169.7	0	0	107.7	L741 T747 H748	L741-E743 VanDerWaalsContact CB-O 3.22Å; L741-E743 WeakPolarHBondContact CB-O 3.47Å; L741-E743 PolarHBondContact O-N 3.24Å; E743-T747 WeakPolarHBondContact OE1-CA 3.39Å; E743-T747 WeakPolarHBondContact OE1-CB 3.42Å; E743-H748 PolarHBondContact OE1-N 3.4Å
744	P	93.5	Very high	92.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.193	C	C	.	.			trans	-56	149.4	173.3	21.1	-32.8	0	0	0	112.5	L746 T747 H748 L827 W829	P744-L746 PolarHBondContact O-N 2.87Å; P744-L746 VanDerWaalsContact O-N 3.14Å; P744-T747 WeakPolarHBondContact O-CA 3.47Å; P744-T747 PolarHBondContact O-N 3.2Å; P744-H748 WeakPolarHBondContact CD-CE1 3.19Å; P744-H748 WeakPolarHBondContact CD-NE2 3.34Å; P744-L827 VanDerWaalsContact CB-O 3.32Å; P744-L827 WeakPolarHBondContact CB-O 3.07Å; P744-W829 VanDerWaalsContact CA-CH2 3.47Å; P744-W829 HydrophobicContact CB-CD2 3.91Å; P744-W829 HydrophobicContact CB-CE3 3.8Å; P744-W829 HydrophobicContact CB-CH2 4.09Å; P744-W829 HydrophobicContact CB-CZ2 4.19Å; P744-W829 HydrophobicContact CB-CZ3 3.89Å; P744-W829 HydrophobicContact CG-CD2 4.28Å; P744-W829 VanDerWaalsContact N-CZ2 3.34Å
745	L	95.9	Very high	92.4	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.8	179.1	-175.7	59.8	0	0	0	112.3	L666 L738 T747 N791 T794 L795 L798 L827	L666-L745 HydrophobicContact CD2-CD1 3.6Å; L738-L745 HydrophobicContact CD2-CD2 3.9Å; L745-T747 VanDerWaalsContact C-N 3.31Å; L745-N791 HydrophobicContact CD1-CB 4.16Å; L745-N791 WeakPolarHBondContact O-CB 3.25Å; L745-N791 PolarHBondContact O-ND2 3.38Å; L745-T794 HydrophobicContact CD1-CG2 3.84Å; L745-T794 HydrophobicContact CD2-CG2 4.11Å; L745-L795 HydrophobicContact CD2-CB 4.05Å; L745-L795 HydrophobicContact CD2-CD1 3.96Å; L745-L795 HydrophobicContact CG-CB 4.29Å; L745-L795 HydrophobicContact CG-CD1 4.36Å; L745-L798 HydrophobicContact CD2-CD2 4.24Å; L745-L827 HydrophobicContact CB-CD2 4.07Å; L745-L827 HydrophobicContact CD2-CD2 3.88Å
746	L	96.6	Very high	92.3	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	7.9	175.5	-64.5	171.4	0	0	0	114.4	P744 F754 L787 L795 L827 L828 V851 L855	P744-L746 PolarHBondContact O-N 2.87Å; P744-L746 VanDerWaalsContact O-N 3.14Å; L746-F754 HydrophobicContact CB-CD2 4.12Å; L746-F754 HydrophobicContact CB-CE2 3.99Å; L746-F754 HydrophobicContact CD2-CE1 4.26Å; L746-F754 HydrophobicContact CD2-CE2 3.93Å; L746-F754 HydrophobicContact CD2-CZ 3.77Å; L746-F754 HydrophobicContact CG-CE2 4.46Å; L746-L787 HydrophobicContact CD2-CD1 4.1Å; L746-L795 HydrophobicContact CD2-CD1 3.82Å; L746-L795 HydrophobicContact CD2-CD2 3.46Å; L746-L795 VanDerWaalsContact CD2-CD2 3.46Å; L746-L795 HydrophobicContact CD2-CG 4.28Å; L746-L795 HydrophobicContact CG-CD1 4.42Å; L746-L827 WeakPolarHBondContact CB-O 3.17Å; L746-L827 HydrophobicContact CD1-CB 4Å; L746-L827 HydrophobicContact CG-CB 4.49Å; L746-L827 PolarHBondContact N-O 3.15Å; L746-L828 HydrophobicContact CB-CG 4.32Å; L746-L828 HydrophobicContact CD1-CD1 3.59Å; L746-L828 HydrophobicContact CD1-CD2 4.25Å; L746-L828 HydrophobicContact CD1-CG 3.7Å; L746-V851 HydrophobicContact CD1-CG1 4.08Å; L746-L855 HydrophobicContact CD1-CD1 3.67Å; L746-L855 HydrophobicContact CD2-CD1 3.99Å; L746-L855 HydrophobicContact CG-CD1 4.5Å
747	T	94.2	Very high	92.3	Very high	7 Å²	7	41 Å²	41	4%	0.043	20%	0.196	C	C	.	.			trans	63.5	151.6	-175.6	70.2	0	0	0	0	115.2	E743 P744 L745 L749 L750 Y751 L787 P788	E743-T747 WeakPolarHBondContact OE1-CA 3.39Å; E743-T747 WeakPolarHBondContact OE1-CB 3.42Å; P744-T747 WeakPolarHBondContact O-CA 3.47Å; P744-T747 PolarHBondContact O-N 3.2Å; L745-T747 VanDerWaalsContact C-N 3.31Å; T747-L749 VanDerWaalsContact C-N 3.31Å; T747-L750 PolarHBondContact OG1-N 3.4Å; T747-Y751 PolarHBondContact O-N 2.92Å; T747-L787 HydrophobicContact CG2-CD2 3.94Å; T747-P788 HydrophobicContact CG2-CG 4.14Å
748	H	91.5	Very high	92.1	Very high	41 Å²	41	41 Å²	41	19%	0.19	20%	0.196	C	C	.	.	S	Bend	trans	-69.3	-34.7	168.7	-71.1	-49	0	0	0	110.7	E743 P744 L750 Y751 W829 E831	E743-H748 PolarHBondContact OE1-N 3.4Å; P744-H748 WeakPolarHBondContact CD-CE1 3.19Å; P744-H748 WeakPolarHBondContact CD-NE2 3.34Å; H748-L750 VanDerWaalsContact C-N 3.34Å; H748-L750 PolarHBondContact O-N 3.04Å; H748-Y751 VanDerWaalsContact O-CB 3.29Å; H748-Y751 WeakPolarHBondContact O-CB 3.13Å; H748-Y751 PolarHBondContact O-N 2.98Å; H748-W829 AromaticContact CE1-CD1 3.59Å; H748-W829 AromaticContact CE1-NE1 3.69Å; H748-W829 PolarHBondContact CE1-O 3.13Å; H748-W829 PolarHBondContact ND1-O 3.1Å; H748-E831 PolarHBondContact CE1-N 2.89Å; H748-E831 VanDerWaalsContact CE1-N 3.34Å
749	L	93	Very high	91.6	Very high	151 Å²	151	45.7 Å²	45.7	79%	0.791	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-34.7	-178.1	-179.4	62.2	0	0	0	114.3	T747	T747-L749 VanDerWaalsContact C-N 3.31Å
750	L	94	Very high	91.5	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.031	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-2.5	-179.7	-59.5	177.4	0	0	0	113.6	T747 H748 D752 R753 F754 Q786 L787	T747-L750 PolarHBondContact OG1-N 3.4Å; H748-L750 VanDerWaalsContact C-N 3.34Å; H748-L750 PolarHBondContact O-N 3.04Å; L750-D752 PolarHBondContact O-N 2.78Å; L750-R753 WeakPolarHBondContact O-CB 3.26Å; L750-R753 PolarHBondContact O-N 2.97Å; L750-R753 VanDerWaalsContact O-N 3.07Å; L750-F754 HydrophobicContact CB-CD2 3.84Å; L750-F754 HydrophobicContact CB-CE2 3.72Å; L750-F754 HydrophobicContact CD1-CE2 4.17Å; L750-F754 WeakPolarHBondContact O-CD2 3.26Å; L750-F754 PolarHBondContact O-N 3.05Å; L750-Q786 HydrophobicContact CD1-CB 3.84Å; L750-Q786 HydrophobicContact CD2-CB 4.2Å; L750-L787 HydrophobicContact CD1-CD2 3.83Å; L750-L787 HydrophobicContact CD1-CG 4.12Å
751	Y	92.8	Very high	91.1	Very high	5 Å²	5	42.7 Å²	42.7	2%	0.02	20%	0.202	C	C	.	.	H	α-helix	trans	-47	-56.2	-175	176	-79.5	0	0	0	112.5	T747 H748 R753 F754 V755 L828 W829 I830 D844 Q848	T747-Y751 PolarHBondContact O-N 2.92Å; H748-Y751 VanDerWaalsContact O-CB 3.29Å; H748-Y751 WeakPolarHBondContact O-CB 3.13Å; H748-Y751 PolarHBondContact O-N 2.98Å; Y751-R753 VanDerWaalsContact C-N 3.31Å; Y751-R753 PolarHBondContact O-N 2.91Å; Y751-F754 PolarHBondContact O-N 3.24Å; Y751-V755 HydrophobicContact CD1-CG2 4.2Å; Y751-V755 HydrophobicContact CE1-CG2 3.72Å; Y751-V755 WeakPolarHBondContact O-CG2 3.39Å; Y751-V755 PolarHBondContact O-N 3.35Å; Y751-L828 HydrophobicContact CD2-CB 3.87Å; Y751-L828 HydrophobicContact CD2-CD2 4.13Å; Y751-L828 HydrophobicContact CE2-CB 3.8Å; Y751-L828 HydrophobicContact CE2-CD2 4.39Å; Y751-W829 WeakPolarHBondContact CD2-O 3.2Å; Y751-I830 HydrophobicContact CD1-CG1 4.28Å; Y751-I830 HydrophobicContact CD2-CG1 4.3Å; Y751-I830 HydrophobicContact CE1-CD1 4.04Å; Y751-I830 HydrophobicContact CE1-CG1 3.8Å; Y751-I830 HydrophobicContact CE2-CG1 3.75Å; Y751-I830 VanDerWaalsContact CZ-CG1 3.49Å; Y751-D844 VanDerWaalsContact CE1-OD2 3.25Å; Y751-D844 WeakPolarHBondContact CE1-OD2 3.4Å; Y751-D844 WeakPolarHBondContact OH-CB 3.5Å; Y751-D844 PolarHBondContact OH-OD2 3.04Å; Y751-Q848 HydrophobicContact CE2-CG 4.29Å; Y751-Q848 PolarHBondContact OH-NE2 3.28Å
752	D	91.2	Very high	90.2	Very high	74 Å²	74	44.7 Å²	44.7	40%	0.396	22%	0.216	S	C	.	.	H	α-helix	trans	-67.4	-33.4	-175.8	-73.7	-54.4	0	0	0	112.2	L750 V755 D756 K840	L750-D752 PolarHBondContact O-N 2.78Å; D752-V755 PolarHBondContact O-N 3.03Å; D752-D756 WeakPolarHBondContact O-CB 3.19Å; D752-D756 PolarHBondContact O-N 2.97Å; D752-K840 WeakPolarHBondContact OD1-CE 3.37Å; D752-K840 IonicContact OD1-NZ 3.82Å; D752-K840 PolarHBondContact OD1-NZ 2.75Å
753	R	94.2	Very high	89.1	Confident	135 Å²	135	45 Å²	45	51%	0.509	22%	0.22	S	C	.	.	H	α-helix	trans	-65.9	-40.3	177.3	-60.1	-177.1	177.6	-174.5	-1.4	111.7	L750 Y751 D756 V757 L783	L750-R753 WeakPolarHBondContact O-CB 3.26Å; L750-R753 PolarHBondContact O-N 2.97Å; L750-R753 VanDerWaalsContact O-N 3.07Å; Y751-R753 VanDerWaalsContact C-N 3.31Å; Y751-R753 PolarHBondContact O-N 2.91Å; R753-D756 PolarHBondContact O-N 2.84Å; R753-V757 PolarHBondContact O-N 2.89Å; R753-L783 HydrophobicContact CB-CD1 4.11Å; R753-L783 HydrophobicContact CB-CD2 3.63Å; R753-L783 HydrophobicContact CG-CD2 4.43Å; R753-L783 WeakPolarHBondContact O-CD1 3.2Å
754	F	95.3	Very high	87.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.6	-47.2	172.8	-80.6	-68.4	0	0	0	111.2	L746 L750 Y751 D756 V757 A758 L780 L783 L787 L828 V851 L855	L746-F754 HydrophobicContact CB-CD2 4.12Å; L746-F754 HydrophobicContact CB-CE2 3.99Å; L746-F754 HydrophobicContact CD2-CE1 4.26Å; L746-F754 HydrophobicContact CD2-CE2 3.93Å; L746-F754 HydrophobicContact CD2-CZ 3.77Å; L746-F754 HydrophobicContact CG-CE2 4.46Å; L750-F754 HydrophobicContact CB-CD2 3.84Å; L750-F754 HydrophobicContact CB-CE2 3.72Å; L750-F754 HydrophobicContact CD1-CE2 4.17Å; L750-F754 WeakPolarHBondContact O-CD2 3.26Å; L750-F754 PolarHBondContact O-N 3.05Å; Y751-F754 PolarHBondContact O-N 3.24Å; F754-D756 VanDerWaalsContact C-N 3.25Å; F754-D756 PolarHBondContact O-N 3.01Å; F754-V757 WeakPolarHBondContact O-CB 3.24Å; F754-V757 PolarHBondContact O-N 3.15Å; F754-A758 PolarHBondContact O-N 3.44Å; F754-L780 HydrophobicContact CD1-CD2 4.02Å; F754-L780 HydrophobicContact CE1-CD2 4.26Å; F754-L783 HydrophobicContact CD1-CB 4.13Å; F754-L783 HydrophobicContact CD1-CD1 3.8Å; F754-L783 HydrophobicContact CE1-CB 3.53Å; F754-L783 HydrophobicContact CE1-CD1 4.09Å; F754-L783 HydrophobicContact CE1-CG 4.48Å; F754-L783 HydrophobicContact CE2-CB 4.24Å; F754-L783 HydrophobicContact CG-CD1 4.12Å; F754-L783 HydrophobicContact CZ-CB 3.59Å; F754-L787 HydrophobicContact CE2-CD2 4.45Å; F754-L828 HydrophobicContact CB-CD2 4Å; F754-V851 HydrophobicContact CB-CG1 3.97Å; F754-V851 HydrophobicContact CB-CG2 4.08Å; F754-V851 HydrophobicContact CD1-CG1 4.07Å; F754-V851 HydrophobicContact CG-CG1 4.28Å; F754-V851 VanDerWaalsContact O-CG2 3.23Å; F754-V851 WeakPolarHBondContact O-CG2 3.45Å; F754-L855 HydrophobicContact CE1-CD2 4.47Å
755	V	90.9	Very high	84.8	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-36	176.8	166.5	0	0	0	0	111.7	Y751 D752 V757 A758 K759 L828 L847	Y751-V755 HydrophobicContact CD1-CG2 4.2Å; Y751-V755 HydrophobicContact CE1-CG2 3.72Å; Y751-V755 WeakPolarHBondContact O-CG2 3.39Å; Y751-V755 PolarHBondContact O-N 3.35Å; D752-V755 PolarHBondContact O-N 3.03Å; V755-V757 VanDerWaalsContact C-N 3.32Å; V755-V757 PolarHBondContact O-N 3.46Å; V755-A758 WeakPolarHBondContact O-CB 3.14Å; V755-A758 PolarHBondContact O-N 3.43Å; V755-A758 VanDerWaalsContact O-N 3.11Å; V755-K759 WeakPolarHBondContact O-CG 3.27Å; V755-K759 PolarHBondContact O-N 3.43Å; V755-L828 HydrophobicContact CG2-CD2 4.34Å; V755-L847 HydrophobicContact CG1-CB 4.02Å; V755-L847 HydrophobicContact CG1-CD1 3.73Å
756	D	91.7	Very high	82.4	Confident	67 Å²	67	69.2 Å²	69.2	36%	0.358	32%	0.323	S	S	.	.	H	α-helix	trans	-70.6	-20.3	175.1	-74.3	-13.4	0	0	0	114.2	D752 R753 F754 K759 R760	D752-D756 WeakPolarHBondContact O-CB 3.19Å; D752-D756 PolarHBondContact O-N 2.97Å; R753-D756 PolarHBondContact O-N 2.84Å; F754-D756 VanDerWaalsContact C-N 3.25Å; F754-D756 PolarHBondContact O-N 3.01Å; D756-K759 WeakPolarHBondContact OD1-CD 3.5Å; D756-K759 WeakPolarHBondContact OD1-CE 3.21Å; D756-K759 IonicContact OD1-NZ 3.92Å; D756-K759 PolarHBondContact OD1-NZ 3.38Å; D756-R760 WeakPolarHBondContact O-CG 3.48Å; D756-R760 PolarHBondContact O-NE 3.27Å
757	V	91.2	Very high	80.1	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.006	34%	0.339	C	S	.	.	H	α-helix	trans	-69.7	-48.1	164.2	-178.2	0	0	0	0	109.4	R753 F754 V755 K759 R760 F761 D779 L780 L783	R753-V757 PolarHBondContact O-N 2.89Å; F754-V757 WeakPolarHBondContact O-CB 3.24Å; F754-V757 PolarHBondContact O-N 3.15Å; V755-V757 VanDerWaalsContact C-N 3.32Å; V755-V757 PolarHBondContact O-N 3.46Å; V757-K759 PolarHBondContact O-N 2.95Å; V757-R760 PolarHBondContact O-N 2.94Å; V757-R760 VanDerWaalsContact O-N 3.11Å; V757-F761 HydrophobicContact CG1-CD2 3.94Å; V757-F761 HydrophobicContact CG1-CE2 4.35Å; V757-F761 WeakPolarHBondContact O-CD2 3.28Å; V757-F761 PolarHBondContact O-N 3.48Å; V757-F761 VanDerWaalsContact O-N 3.15Å; V757-D779 HydrophobicContact CG2-CB 4.14Å; V757-L780 HydrophobicContact CB-CD2 4.23Å; V757-L780 HydrophobicContact CG1-CD2 3.95Å; V757-L780 HydrophobicContact CG1-CG 4.11Å; V757-L780 HydrophobicContact CG2-CD2 4.23Å; V757-L783 HydrophobicContact CG2-CD1 3.71Å
758	A	89.6	Confident	78	Confident	1 Å²	1	77 Å²	77	1%	0.008	36%	0.364	C	S	.	.	H	α-helix	trans	-61.4	-39.2	179.1	0	0	0	0	0	113	F754 V755 R760 F761 L847 R850 V851	F754-A758 PolarHBondContact O-N 3.44Å; V755-A758 WeakPolarHBondContact O-CB 3.14Å; V755-A758 PolarHBondContact O-N 3.43Å; V755-A758 VanDerWaalsContact O-N 3.11Å; A758-R760 VanDerWaalsContact C-N 3.27Å; A758-R760 PolarHBondContact O-N 3.03Å; A758-F761 CarbonylContact O-C 3.47Å; A758-F761 PolarHBondContact O-N 3.27Å; A758-L847 HydrophobicContact CB-CB 4.14Å; A758-L847 HydrophobicContact CB-CD2 4.19Å; A758-L847 WeakPolarHBondContact CB-O 3.47Å; A758-R850 HydrophobicContact CB-CB 3.92Å; A758-R850 HydrophobicContact CB-CG 3.85Å; A758-V851 HydrophobicContact CB-CG2 3.79Å
759	K	86.2	Confident	76.1	Confident	101 Å²	101	78.7 Å²	78.7	44%	0.439	37%	0.372	S	S	.	.	H	α-helix	trans	-58.5	-36.1	173.7	-70.7	176.8	-168.8	149.1	0	112.9	V755 D756 V757 L847	V755-K759 WeakPolarHBondContact O-CG 3.27Å; V755-K759 PolarHBondContact O-N 3.43Å; D756-K759 WeakPolarHBondContact OD1-CD 3.5Å; D756-K759 WeakPolarHBondContact OD1-CE 3.21Å; D756-K759 IonicContact OD1-NZ 3.92Å; D756-K759 PolarHBondContact OD1-NZ 3.38Å; V757-K759 PolarHBondContact O-N 2.95Å; K759-L847 HydrophobicContact CD-CD1 4.45Å; K759-L847 HydrophobicContact CG-CD1 3.69Å; K759-L847 HydrophobicContact CG-CD2 4.21Å
760	R	85.2	Confident	74.5	Confident	121 Å²	121	77.8 Å²	77.8	46%	0.457	36%	0.363	S	S	.	.	H	α-helix	trans	-81.1	-22.9	-178.9	-72.1	179.8	-67.4	137	0.2	113.5	D756 V757 A758 P762 D779	D756-R760 WeakPolarHBondContact O-CG 3.48Å; D756-R760 PolarHBondContact O-NE 3.27Å; V757-R760 PolarHBondContact O-N 2.94Å; V757-R760 VanDerWaalsContact O-N 3.11Å; A758-R760 VanDerWaalsContact C-N 3.27Å; A758-R760 PolarHBondContact O-N 3.03Å; R760-P762 WeakPolarHBondContact O-CD 3.47Å; R760-D779 IonicContact CZ-OD2 3.47Å; R760-D779 IonicContact NH1-OD2 2.67Å; R760-D779 PolarHBondContact NH1-OD2 2.82Å; R760-D779 IonicContact NH2-OD2 3.7Å; R760-D779 PolarHBondContact NH2-OD2 2.95Å
761	F	80.8	Confident	73	Confident	25 Å²	25	81.7 Å²	81.7	11%	0.11	39%	0.388	C	S	.	.	S	Bend	trans	-125.8	57.5	-177.9	-57.7	-72	0	0	0	113.5	V757 A758 V775 I776 R850	V757-F761 HydrophobicContact CG1-CD2 3.94Å; V757-F761 HydrophobicContact CG1-CE2 4.35Å; V757-F761 WeakPolarHBondContact O-CD2 3.28Å; V757-F761 PolarHBondContact O-N 3.48Å; V757-F761 VanDerWaalsContact O-N 3.15Å; A758-F761 CarbonylContact O-C 3.47Å; A758-F761 PolarHBondContact O-N 3.27Å; F761-V775 HydrophobicContact CE2-CG1 4.45Å; F761-V775 HydrophobicContact CZ-CB 4.13Å; F761-V775 HydrophobicContact CZ-CG1 3.76Å; F761-I776 HydrophobicContact CB-CD1 3.99Å; F761-I776 HydrophobicContact CB-CG1 4.09Å; F761-I776 HydrophobicContact CD1-CD1 3.82Å; F761-I776 HydrophobicContact CD1-CG1 3.69Å; F761-I776 HydrophobicContact CD2-CD1 4.31Å; F761-I776 HydrophobicContact CD2-CG1 3.49Å; F761-I776 VanDerWaalsContact CD2-CG1 3.49Å; F761-I776 HydrophobicContact CE1-CD1 4.38Å; F761-I776 HydrophobicContact CE1-CG1 3.93Å; F761-I776 HydrophobicContact CE2-CG1 3.74Å; F761-I776 HydrophobicContact CG-CD1 3.77Å; F761-I776 HydrophobicContact CG-CG1 3.46Å; F761-I776 VanDerWaalsContact CG-CG1 3.46Å; F761-I776 HydrophobicContact CZ-CG1 3.95Å; F761-R850 VanDerWaalsContact O-CZ 3.3Å; F761-R850 PolarHBondContact O-NE 3.16Å; F761-R850 PolarHBondContact O-NH2 2.85Å
762	P	70.2	Confident	71.9	Confident	51 Å²	51	82.1 Å²	82.1	33%	0.331	39%	0.392	S	S	.	.			trans	-64.6	152	177.1	30.4	-36.5	0	0	0	111.7	R760 T764	R760-P762 WeakPolarHBondContact O-CD 3.47Å; P762-T764 PolarHBondContact O-N 3.44Å; P762-T764 VanDerWaalsContact O-N 3.15Å
763	S	63.6	Low	71.3	Confident	79 Å²	79	80 Å²	80	55%	0.552	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.4	-173	-47.9	0	0	0	0	114.9	R765 R850	S763-R765 PolarHBondContact O-N 3.48Å; S763-R850 VanDerWaalsContact OG-CZ 3.27Å; S763-R850 PolarHBondContact OG-NH1 2.7Å; S763-R850 VanDerWaalsContact OG-NH1 3.13Å
764	T	48.5	Very low	70.8	Confident	135 Å²	135	78.9 Å²	78.9	83%	0.828	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	5.5	-164	-17.8	0	0	0	0	115.6	P762	P762-T764 PolarHBondContact O-N 3.44Å; P762-T764 VanDerWaalsContact O-N 3.15Å
765	R	43.9	Very low	70.5	Confident	193 Å²	193	82.1 Å²	82.1	73%	0.728	40%	0.403	S	S	*	.			trans	-116.9	129.2	-179	-69.3	-169.9	176.7	-169.6	-0.2	112.5	S763 I767	S763-R765 PolarHBondContact O-N 3.48Å; R765-I767 HydrophobicContact CB-CD1 4.3Å; R765-I767 HydrophobicContact CB-CG1 3.87Å; R765-I767 PolarHBondContact O-N 2.8Å
766	R	45.6	Very low	70.4	Confident	259 Å²	259	82.4 Å²	82.4	98%	0.977	40%	0.404	S	S	*	.			trans	-70.2	66.3	165.2	-64.8	-176.6	-179.5	-175.5	0.1	110.4
767	I	48.2	Very low	70.4	Confident	67 Å²	67	79.9 Å²	79.9	34%	0.344	39%	0.391	S	S	.	.			trans	-76.4	139.7	166.7	-52.7	172.5	0	0	0	107.1	R765 E769 A772	R765-I767 HydrophobicContact CB-CD1 4.3Å; R765-I767 HydrophobicContact CB-CG1 3.87Å; R765-I767 PolarHBondContact O-N 2.8Å; I767-E769 PolarHBondContact O-N 3.16Å; I767-A772 HydrophobicContact CB-CB 4.36Å; I767-A772 HydrophobicContact CG2-CB 3.86Å
768	D	49.7	Very low	70.5	Confident	106 Å²	106	84.1 Å²	84.1	57%	0.567	41%	0.414	S	S	*	.			trans	-48.6	103.5	172.7	40.4	-65.7	0	0	0	111.3	Q770 T771 A772	D768-Q770 PolarHBondContact O-N 3.41Å; D768-T771 PolarHBondContact O-N 3.19Å; D768-T771 VanDerWaalsContact OD2-CB 3.3Å; D768-T771 WeakPolarHBondContact OD2-CB 3.47Å; D768-T771 PolarHBondContact OD2-OG1 2.96Å; D768-A772 PolarHBondContact O-N 2.89Å
769	E	53.4	Low	70.7	Confident	75 Å²	75	84.9 Å²	84.9	35%	0.35	42%	0.418	S	S	.	.	H	α-helix	trans	-60.4	-42.6	-157	-72.7	-158.9	115.4	0	0	113.3	I767 T771 A772 C773	I767-E769 PolarHBondContact O-N 3.16Å; E769-T771 PolarHBondContact O-N 2.93Å; E769-A772 PolarHBondContact O-N 3.49Å; E769-C773 WeakPolarHBondContact O-CB 3.46Å; E769-C773 PolarHBondContact O-N 3.18Å; E769-C773 PolarHBondContact O-SG 3.13Å
770	Q	58.8	Low	71.2	Confident	132 Å²	132	80.1 Å²	80.1	62%	0.617	40%	0.398	S	S	*	.	H	α-helix	trans	-58	-47.7	-179.3	-86.5	69.2	24.4	0	0	112.8	D768 C773 Q774	D768-Q770 PolarHBondContact O-N 3.41Å; Q770-C773 PolarHBondContact O-N 3.16Å; Q770-Q774 PolarHBondContact O-N 3.11Å
771	T	62	Low	71.7	Confident	88 Å²	88	76.7 Å²	76.7	54%	0.54	39%	0.386	S	S	.	.	H	α-helix	trans	-65.1	-45.2	-178.9	-34.8	0	0	0	0	110.5	D768 E769 Q774 V775	D768-T771 PolarHBondContact O-N 3.19Å; D768-T771 VanDerWaalsContact OD2-CB 3.3Å; D768-T771 WeakPolarHBondContact OD2-CB 3.47Å; D768-T771 PolarHBondContact OD2-OG1 2.96Å; E769-T771 PolarHBondContact O-N 2.93Å; T771-Q774 PolarHBondContact O-N 3.46Å; T771-V775 PolarHBondContact O-N 2.89Å
772	A	70.2	Confident	72.4	Confident	14 Å²	14	82.6 Å²	82.6	12%	0.116	41%	0.407	C	S	.	.	H	α-helix	trans	-62.6	-43.6	178.1	0	0	0	0	0	112.1	I767 D768 E769 Q774 V775 I776	I767-A772 HydrophobicContact CB-CB 4.36Å; I767-A772 HydrophobicContact CG2-CB 3.86Å; D768-A772 PolarHBondContact O-N 2.89Å; E769-A772 PolarHBondContact O-N 3.49Å; A772-Q774 PolarHBondContact O-N 3.16Å; A772-V775 PolarHBondContact O-N 2.93Å; A772-I776 HydrophobicContact CB-CD1 4.48Å; A772-I776 WeakPolarHBondContact O-CB 3.43Å; A772-I776 WeakPolarHBondContact O-CD1 3.28Å; A772-I776 WeakPolarHBondContact O-CG1 3.3Å; A772-I776 PolarHBondContact O-N 3.48Å
773	C	77.3	Confident	73.7	Confident	31 Å²	31	80.6 Å²	80.6	21%	0.209	39%	0.394	C	S	.	.	H	α-helix	trans	-56.7	-47.3	179.5	-73.3	0	0	0	0	111.9	E769 Q770 V775 I776 V777 Y858	E769-C773 WeakPolarHBondContact O-CB 3.46Å; E769-C773 PolarHBondContact O-N 3.18Å; E769-C773 PolarHBondContact O-SG 3.13Å; Q770-C773 PolarHBondContact O-N 3.16Å; C773-V775 PolarHBondContact O-N 3.46Å; C773-I776 PolarHBondContact O-N 3.06Å; C773-V777 WeakPolarHBondContact O-CB 3.45Å; C773-V777 WeakPolarHBondContact O-CG2 3.46Å; C773-V777 PolarHBondContact O-N 2.9Å; C773-Y858 HydrophobicContact CB-CE1 4.46Å; C773-Y858 PolarHBondContact SG-OH 3.38Å; C773-Y858 VanDerWaalsContact SG-OH 3.34Å
774	Q	84.9	Confident	75.2	Confident	111 Å²	111	76.9 Å²	76.9	52%	0.519	37%	0.368	S	S	.	.	H	α-helix	trans	-65.9	-37.8	-178	-167	64.8	63.7	0	0	112.3	Q770 T771 A772 N778	Q770-Q774 PolarHBondContact O-N 3.11Å; T771-Q774 PolarHBondContact O-N 3.46Å; A772-Q774 PolarHBondContact O-N 3.16Å; Q774-N778 PolarHBondContact NE2-OD1 3.48Å; Q774-N778 VanDerWaalsContact O-CB 3.32Å; Q774-N778 WeakPolarHBondContact O-CB 3.44Å; Q774-N778 PolarHBondContact O-N 3.25Å; Q774-N778 PolarHBondContact O-ND2 2.84Å; Q774-N778 PolarHBondContact O-OD1 2.82Å
775	V	88.6	Confident	77.5	Confident	67 Å²	67	74.8 Å²	74.8	41%	0.406	35%	0.352	S	S	.	.	H	α-helix	trans	-68.4	-42	176.6	-176.7	0	0	0	0	111	F761 T771 A772 C773 N778 D779	F761-V775 HydrophobicContact CE2-CG1 4.45Å; F761-V775 HydrophobicContact CZ-CB 4.13Å; F761-V775 HydrophobicContact CZ-CG1 3.76Å; T771-V775 PolarHBondContact O-N 2.89Å; A772-V775 PolarHBondContact O-N 2.93Å; C773-V775 PolarHBondContact O-N 3.46Å; V775-N778 PolarHBondContact O-N 3.31Å; V775-D779 WeakPolarHBondContact O-CB 3.37Å; V775-D779 PolarHBondContact O-N 3.22Å
776	I	89.1	Confident	80	Confident	6 Å²	6	69.5 Å²	69.5	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-58.8	-49.7	175	-69.5	161.6	0	0	0	110.9	F761 A772 C773 D779 L780 L854 Y858	F761-I776 HydrophobicContact CB-CD1 3.99Å; F761-I776 HydrophobicContact CB-CG1 4.09Å; F761-I776 HydrophobicContact CD1-CD1 3.82Å; F761-I776 HydrophobicContact CD1-CG1 3.69Å; F761-I776 HydrophobicContact CD2-CD1 4.31Å; F761-I776 HydrophobicContact CD2-CG1 3.49Å; F761-I776 VanDerWaalsContact CD2-CG1 3.49Å; F761-I776 HydrophobicContact CE1-CD1 4.38Å; F761-I776 HydrophobicContact CE1-CG1 3.93Å; F761-I776 HydrophobicContact CE2-CG1 3.74Å; F761-I776 HydrophobicContact CG-CD1 3.77Å; F761-I776 HydrophobicContact CG-CG1 3.46Å; F761-I776 VanDerWaalsContact CG-CG1 3.46Å; F761-I776 HydrophobicContact CZ-CG1 3.95Å; A772-I776 HydrophobicContact CB-CD1 4.48Å; A772-I776 WeakPolarHBondContact O-CB 3.43Å; A772-I776 WeakPolarHBondContact O-CD1 3.28Å; A772-I776 WeakPolarHBondContact O-CG1 3.3Å; A772-I776 PolarHBondContact O-N 3.48Å; C773-I776 PolarHBondContact O-N 3.06Å; I776-D779 PolarHBondContact O-N 3.05Å; I776-L780 HydrophobicContact CG2-CD1 3.71Å; I776-L780 HydrophobicContact CG2-CG 4.39Å; I776-L780 WeakPolarHBondContact O-CB 3.17Å; I776-L780 WeakPolarHBondContact O-CG 3.49Å; I776-L780 PolarHBondContact O-N 3.22Å; I776-L854 HydrophobicContact CD1-CD2 4.41Å; I776-L854 HydrophobicContact CG2-CB 4.46Å; I776-L854 HydrophobicContact CG2-CD1 4.5Å; I776-L854 HydrophobicContact CG2-CD2 4.25Å; I776-Y858 HydrophobicContact CD1-CE2 4.43Å; I776-Y858 HydrophobicContact CG2-CD2 3.82Å; I776-Y858 HydrophobicContact CG2-CE2 3.78Å
777	V	92.4	Very high	82.4	Confident	14 Å²	14	57.9 Å²	57.9	9%	0.085	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-47.3	180	169.1	0	0	0	0	110.8	C773 D779 L780 K781 Y858 E861 I862	C773-V777 WeakPolarHBondContact O-CB 3.45Å; C773-V777 WeakPolarHBondContact O-CG2 3.46Å; C773-V777 PolarHBondContact O-N 2.9Å; V777-D779 VanDerWaalsContact C-N 3.35Å; V777-D779 PolarHBondContact O-N 3.11Å; V777-L780 PolarHBondContact O-N 3.29Å; V777-K781 VanDerWaalsContact O-CB 3.22Å; V777-K781 WeakPolarHBondContact O-CB 3.43Å; V777-K781 PolarHBondContact O-N 2.79Å; V777-Y858 HydrophobicContact CG2-CD1 4.4Å; V777-Y858 HydrophobicContact CG2-CG 4.03Å; V777-E861 HydrophobicContact CG1-CB 4.23Å; V777-E861 WeakPolarHBondContact CG1-O 3.26Å; V777-E861 HydrophobicContact CG2-CB 4.01Å; V777-I862 HydrophobicContact CG1-CG1 4.31Å
778	N	93	Very high	84.6	Confident	91 Å²	91	56.6 Å²	56.6	49%	0.487	29%	0.288	S	S	.	.	H	α-helix	trans	-61.3	-41.2	179.7	-70	-0.4	0	0	0	112.3	Q774 V775 R782	Q774-N778 PolarHBondContact NE2-OD1 3.48Å; Q774-N778 VanDerWaalsContact O-CB 3.32Å; Q774-N778 WeakPolarHBondContact O-CB 3.44Å; Q774-N778 PolarHBondContact O-N 3.25Å; Q774-N778 PolarHBondContact O-ND2 2.84Å; Q774-N778 PolarHBondContact O-OD1 2.82Å; V775-N778 PolarHBondContact O-N 3.31Å; N778-R782 VanDerWaalsContact O-CB 3.24Å; N778-R782 WeakPolarHBondContact O-CB 3.42Å; N778-R782 PolarHBondContact O-N 3.18Å; N778-R782 VanDerWaalsContact O-N 3.08Å
779	D	93.7	Very high	86.8	Confident	17 Å²	17	56.1 Å²	56.1	9%	0.091	29%	0.29	C	S	.	.	H	α-helix	trans	-71.2	-44.6	177.9	-98	-15.1	0	0	0	112.8	V757 R760 V775 I776 V777 R782 L783	V757-D779 HydrophobicContact CG2-CB 4.14Å; R760-D779 IonicContact CZ-OD2 3.47Å; R760-D779 IonicContact NH1-OD2 2.67Å; R760-D779 PolarHBondContact NH1-OD2 2.82Å; R760-D779 IonicContact NH2-OD2 3.7Å; R760-D779 PolarHBondContact NH2-OD2 2.95Å; V775-D779 WeakPolarHBondContact O-CB 3.37Å; V775-D779 PolarHBondContact O-N 3.22Å; I776-D779 PolarHBondContact O-N 3.05Å; V777-D779 VanDerWaalsContact C-N 3.35Å; V777-D779 PolarHBondContact O-N 3.11Å; D779-R782 PolarHBondContact O-N 3.23Å; D779-R782 IonicContact OD1-CZ 3.6Å; D779-R782 IonicContact OD1-NE 2.7Å; D779-R782 PolarHBondContact OD1-NE 3.47Å; D779-R782 IonicContact OD1-NH2 2.98Å; D779-R782 PolarHBondContact OD1-NH2 3.1Å; D779-L783 WeakPolarHBondContact O-CG 3.48Å; D779-L783 PolarHBondContact O-N 3.46Å
780	L	95.4	Very high	88.7	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-67.2	-39.7	178.6	-71	175.5	0	0	0	111.7	F754 V757 I776 V777 L783 C784 L854 L855 I862	F754-L780 HydrophobicContact CD1-CD2 4.02Å; F754-L780 HydrophobicContact CE1-CD2 4.26Å; V757-L780 HydrophobicContact CB-CD2 4.23Å; V757-L780 HydrophobicContact CG1-CD2 3.95Å; V757-L780 HydrophobicContact CG1-CG 4.11Å; V757-L780 HydrophobicContact CG2-CD2 4.23Å; I776-L780 HydrophobicContact CG2-CD1 3.71Å; I776-L780 HydrophobicContact CG2-CG 4.39Å; I776-L780 WeakPolarHBondContact O-CB 3.17Å; I776-L780 WeakPolarHBondContact O-CG 3.49Å; I776-L780 PolarHBondContact O-N 3.22Å; V777-L780 PolarHBondContact O-N 3.29Å; L780-L783 PolarHBondContact O-N 3.11Å; L780-C784 PolarHBondContact O-N 3.46Å; L780-C784 PolarHBondContact O-SG 2.94Å; L780-L854 HydrophobicContact CD1-CB 3.71Å; L780-L855 HydrophobicContact CB-CD2 4.25Å; L780-L855 HydrophobicContact CD1-CD2 4.27Å; L780-L855 HydrophobicContact CD2-CD2 4.08Å; L780-L855 HydrophobicContact CD2-CG 4.44Å; L780-L855 HydrophobicContact CG-CD2 4.44Å; L780-I862 HydrophobicContact CB-CD1 3.71Å; L780-I862 HydrophobicContact CB-CG1 4.2Å; L780-I862 HydrophobicContact CD1-CD1 3.79Å; L780-I862 HydrophobicContact CG-CD1 4.41Å
781	K	96.2	Very high	90.5	Very high	48 Å²	48	48.6 Å²	48.6	21%	0.209	26%	0.255	C	S	.	.	H	α-helix	trans	-58.7	-52.4	172.4	-172.2	-176	-177.1	-165.4	0	110.6	V777 L783 C784 D785 I862 E864	V777-K781 VanDerWaalsContact O-CB 3.22Å; V777-K781 WeakPolarHBondContact O-CB 3.43Å; V777-K781 PolarHBondContact O-N 2.79Å; K781-L783 PolarHBondContact O-N 3.29Å; K781-L783 VanDerWaalsContact O-N 3.11Å; K781-C784 PolarHBondContact O-N 2.9Å; K781-D785 PolarHBondContact O-N 3.29Å; K781-I862 HydrophobicContact CB-CG2 4.44Å; K781-E864 WeakPolarHBondContact CE-OE2 3.43Å; K781-E864 IonicContact NZ-OE1 2.74Å; K781-E864 PolarHBondContact NZ-OE1 2.82Å; K781-E864 IonicContact NZ-OE2 3.48Å; K781-E864 PolarHBondContact NZ-OE2 3.12Å
782	R	96	Very high	92.2	Very high	149 Å²	149	46.6 Å²	46.6	56%	0.562	24%	0.238	S	C	*	.	H	α-helix	trans	-54.9	-32.3	177.4	179.1	172.2	66.6	131.7	-3.8	113.4	N778 D779 Q786	N778-R782 VanDerWaalsContact O-CB 3.24Å; N778-R782 WeakPolarHBondContact O-CB 3.42Å; N778-R782 PolarHBondContact O-N 3.18Å; N778-R782 VanDerWaalsContact O-N 3.08Å; D779-R782 PolarHBondContact O-N 3.23Å; D779-R782 IonicContact OD1-CZ 3.6Å; D779-R782 IonicContact OD1-NE 2.7Å; D779-R782 PolarHBondContact OD1-NE 3.47Å; D779-R782 IonicContact OD1-NH2 2.98Å; D779-R782 PolarHBondContact OD1-NH2 3.1Å; R782-Q786 PolarHBondContact O-NE2 2.82Å
783	L	96.4	Very high	93.4	Very high	10 Å²	10	48 Å²	48	5%	0.052	24%	0.241	C	C	.	.	H	α-helix	trans	-81.6	-36	174.6	-66.8	177.4	0	0	0	113.1	R753 F754 V757 D779 L780 K781 D785 Q786	R753-L783 HydrophobicContact CB-CD1 4.11Å; R753-L783 HydrophobicContact CB-CD2 3.63Å; R753-L783 HydrophobicContact CG-CD2 4.43Å; R753-L783 WeakPolarHBondContact O-CD1 3.2Å; F754-L783 HydrophobicContact CD1-CB 4.13Å; F754-L783 HydrophobicContact CD1-CD1 3.8Å; F754-L783 HydrophobicContact CE1-CB 3.53Å; F754-L783 HydrophobicContact CE1-CD1 4.09Å; F754-L783 HydrophobicContact CE1-CG 4.48Å; F754-L783 HydrophobicContact CE2-CB 4.24Å; F754-L783 HydrophobicContact CG-CD1 4.12Å; F754-L783 HydrophobicContact CZ-CB 3.59Å; V757-L783 HydrophobicContact CG2-CD1 3.71Å; D779-L783 WeakPolarHBondContact O-CG 3.48Å; D779-L783 PolarHBondContact O-N 3.46Å; L780-L783 PolarHBondContact O-N 3.11Å; K781-L783 PolarHBondContact O-N 3.29Å; K781-L783 VanDerWaalsContact O-N 3.11Å; L783-D785 VanDerWaalsContact C-N 3.34Å; L783-Q786 PolarHBondContact O-N 2.84Å
784	C	96.7	Very high	94.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-42.3	172.5	-65.5	0	0	0	0	110.9	L780 K781 Q786 L787 Y792 F863	L780-C784 PolarHBondContact O-N 3.46Å; L780-C784 PolarHBondContact O-SG 2.94Å; K781-C784 PolarHBondContact O-N 2.9Å; C784-Q786 PolarHBondContact O-N 3.19Å; C784-L787 HydrophobicContact CB-CD1 4.46Å; C784-L787 VanDerWaalsContact O-CB 3.29Å; C784-L787 WeakPolarHBondContact O-CB 3.06Å; C784-L787 PolarHBondContact O-N 3.38Å; C784-Y792 HydrophobicContact CB-CD2 4.08Å; C784-Y792 HydrophobicContact CB-CE2 4.02Å; C784-Y792 WeakPolarHBondContact O-CD2 3.47Å; C784-F863 HydrophobicContact CB-CE1 4.24Å
785	D	95.8	Very high	95	Very high	91 Å²	91	41.2 Å²	41.2	49%	0.487	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-9.9	176.7	-61.3	-18.9	0	0	0	113.6	K781 L783	K781-D785 PolarHBondContact O-N 3.29Å; L783-D785 VanDerWaalsContact C-N 3.34Å
786	Q	96.5	Very high	95.4	Very high	83 Å²	83	39.6 Å²	39.6	39%	0.388	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-6.7	173.3	-73.8	168	71.2	0	0	113.6	L750 R782 L783 C784	L750-Q786 HydrophobicContact CD1-CB 3.84Å; L750-Q786 HydrophobicContact CD2-CB 4.2Å; R782-Q786 PolarHBondContact O-NE2 2.82Å; L783-Q786 PolarHBondContact O-N 2.84Å; C784-Q786 PolarHBondContact O-N 3.19Å
787	L	95.9	Very high	95.8	Very high	15 Å²	15	41.3 Å²	41.3	8%	0.079	21%	0.205	C	C	.	.	S	Bend	trans	-70.3	152.8	175.7	-69.6	166.7	0	0	0	110.9	L746 T747 L750 F754 C784 N791 L795	L746-L787 HydrophobicContact CD2-CD1 4.1Å; T747-L787 HydrophobicContact CG2-CD2 3.94Å; L750-L787 HydrophobicContact CD1-CD2 3.83Å; L750-L787 HydrophobicContact CD1-CG 4.12Å; F754-L787 HydrophobicContact CE2-CD2 4.45Å; C784-L787 HydrophobicContact CB-CD1 4.46Å; C784-L787 VanDerWaalsContact O-CB 3.29Å; C784-L787 WeakPolarHBondContact O-CB 3.06Å; C784-L787 PolarHBondContact O-N 3.38Å; L787-N791 HydrophobicContact CB-CB 4.19Å; L787-N791 HydrophobicContact CD2-CB 4.44Å; L787-L795 HydrophobicContact CD1-CD2 3.61Å
788	P	95.1	Very high	96.1	Very high	39 Å²	39	40.6 Å²	40.6	25%	0.253	20%	0.201	S	C	.	.			trans	-51.1	142.1	162.2	-24	33.1	0	0	0	111	T747 E790 N791 Y792	T747-P788 HydrophobicContact CG2-CG 4.14Å; P788-E790 WeakPolarHBondContact CB-OE2 3.33Å; P788-E790 PolarHBondContact O-N 3.45Å; P788-E790 VanDerWaalsContact O-N 3.11Å; P788-N791 HydrophobicContact CB-CB 4.23Å; P788-N791 HydrophobicContact CG-CB 4.42Å; P788-N791 WeakPolarHBondContact O-CA 3.45Å; P788-N791 WeakPolarHBondContact O-CB 3.4Å; P788-N791 PolarHBondContact O-N 3.47Å; P788-Y792 PolarHBondContact O-N 2.96Å
789	T	94.7	Very high	96.3	Very high	97 Å²	97	36.3 Å²	36.3	60%	0.595	18%	0.178	S	C	*	.	H	α-helix	trans	-53.3	-38.2	-176.9	-48.7	0	0	0	0	112.5	Y792 E793	T789-Y792 PolarHBondContact O-N 3.37Å; T789-E793 HydrophobicContact CG2-CG 4.3Å; T789-E793 WeakPolarHBondContact O-CB 3.28Å; T789-E793 WeakPolarHBondContact O-CG 3.37Å; T789-E793 PolarHBondContact O-N 2.93Å
790	E	94.3	Very high	96.5	Very high	37 Å²	37	35.9 Å²	35.9	17%	0.173	18%	0.176	C	C	.	.	H	α-helix	trans	-65.2	-40.7	178	-55.6	90.9	159.9	0	0	112.3	L666 R667 L670 P788 T794	L666-E790 HydrophobicContact CG-CB 4.43Å; R667-E790 HydrophobicContact CB-CG 4.35Å; R667-E790 IonicContact CZ-OE1 2.69Å; R667-E790 IonicContact CZ-OE2 3.13Å; R667-E790 IonicContact NE-OE1 2.68Å; R667-E790 PolarHBondContact NE-OE1 3.19Å; R667-E790 IonicContact NE-OE2 3.76Å; R667-E790 IonicContact NH2-OE1 3.92Å; R667-E790 PolarHBondContact NH2-OE1 3.01Å; R667-E790 VanDerWaalsContact NH2-OE1 3.15Å; R667-E790 IonicContact NH2-OE2 2.74Å; R667-E790 PolarHBondContact NH2-OE2 3.3Å; L670-E790 HydrophobicContact CD1-CB 3.81Å; L670-E790 HydrophobicContact CD1-CG 4.21Å; P788-E790 WeakPolarHBondContact CB-OE2 3.33Å; P788-E790 PolarHBondContact O-N 3.45Å; P788-E790 VanDerWaalsContact O-N 3.11Å; E790-T794 WeakPolarHBondContact O-CB 3.41Å; E790-T794 PolarHBondContact O-N 3.01Å; E790-T794 PolarHBondContact O-OG1 3.31Å
791	N	96.2	Very high	96.6	Very high	12 Å²	12	35.9 Å²	35.9	6%	0.064	18%	0.175	C	C	.	.	H	α-helix	trans	-69.5	-43.5	175.6	-69.2	56.3	0	0	0	110.7	L666 L745 L787 P788 T794 L795	L666-N791 HydrophobicContact CD2-CB 4.44Å; L745-N791 HydrophobicContact CD1-CB 4.16Å; L745-N791 WeakPolarHBondContact O-CB 3.25Å; L745-N791 PolarHBondContact O-ND2 3.38Å; L787-N791 HydrophobicContact CB-CB 4.19Å; L787-N791 HydrophobicContact CD2-CB 4.44Å; P788-N791 HydrophobicContact CB-CB 4.23Å; P788-N791 HydrophobicContact CG-CB 4.42Å; P788-N791 WeakPolarHBondContact O-CA 3.45Å; P788-N791 WeakPolarHBondContact O-CB 3.4Å; P788-N791 PolarHBondContact O-N 3.47Å; N791-T794 PolarHBondContact O-N 2.98Å; N791-L795 WeakPolarHBondContact O-CB 3.18Å; N791-L795 PolarHBondContact O-N 3.19Å
792	Y	97.5	Very high	96.7	Very high	46 Å²	46	33.6 Å²	33.6	18%	0.18	17%	0.165	C	C	.	.	H	α-helix	trans	-60.5	-54.1	177.8	179.5	-85.9	0	0	0	112.1	C784 P788 T789 T794 L795 K796 F863	C784-Y792 HydrophobicContact CB-CD2 4.08Å; C784-Y792 HydrophobicContact CB-CE2 4.02Å; C784-Y792 WeakPolarHBondContact O-CD2 3.47Å; P788-Y792 PolarHBondContact O-N 2.96Å; T789-Y792 PolarHBondContact O-N 3.37Å; Y792-T794 VanDerWaalsContact C-N 3.28Å; Y792-T794 PolarHBondContact O-N 3.36Å; Y792-L795 PolarHBondContact O-N 3.29Å; Y792-K796 HydrophobicContact CE1-CD 4.06Å; Y792-K796 VanDerWaalsContact O-CB 3.28Å; Y792-K796 WeakPolarHBondContact O-CB 3.39Å; Y792-K796 PolarHBondContact O-N 3.19Å; Y792-F863 HydrophobicContact CD2-CE1 4.28Å; Y792-F863 HydrophobicContact CE1-CD1 4.36Å; Y792-F863 AromaticContact CE2-CD1 3.99Å; Y792-F863 HydrophobicContact CE2-CD1 3.99Å; Y792-F863 AromaticContact CE2-CE1 3.95Å; Y792-F863 HydrophobicContact CE2-CE1 3.95Å; Y792-F863 AromaticContact CZ-CD1 3.8Å
793	E	96.6	Very high	96.8	Very high	42 Å²	42	26.7 Å²	26.7	20%	0.196	14%	0.14	C	C	.	.	H	α-helix	trans	-61.2	-39.1	-179	-65.1	-90.7	-131.9	0	0	110.9	R676 V677 T789 V797	R676-E793 WeakPolarHBondContact CD-OE1 3.41Å; R676-E793 IonicContact CZ-OE1 2.67Å; R676-E793 IonicContact NH1-OE1 3.72Å; R676-E793 PolarHBondContact NH1-OE1 2.78Å; V677-E793 HydrophobicContact CG2-CB 3.81Å; T789-E793 HydrophobicContact CG2-CG 4.3Å; T789-E793 WeakPolarHBondContact O-CB 3.28Å; T789-E793 WeakPolarHBondContact O-CG 3.37Å; T789-E793 PolarHBondContact O-N 2.93Å; E793-V797 PolarHBondContact O-N 3.31Å
794	T	97.1	Very high	96.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-69.5	-41.7	177.1	-59.3	0	0	0	0	112.5	L666 P678 L681 L745 E790 N791 Y792 L798	L666-T794 HydrophobicContact CD2-CG2 4.43Å; P678-T794 VanDerWaalsContact CD-OG1 3.28Å; P678-T794 WeakPolarHBondContact CD-OG1 3.45Å; P678-T794 HydrophobicContact CG-CG2 4.35Å; L681-T794 HydrophobicContact CD2-CG2 3.76Å; L681-T794 WeakPolarHBondContact CD2-O 3.32Å; L745-T794 HydrophobicContact CD1-CG2 3.84Å; L745-T794 HydrophobicContact CD2-CG2 4.11Å; E790-T794 WeakPolarHBondContact O-CB 3.41Å; E790-T794 PolarHBondContact O-N 3.01Å; E790-T794 PolarHBondContact O-OG1 3.31Å; N791-T794 PolarHBondContact O-N 2.98Å; Y792-T794 VanDerWaalsContact C-N 3.28Å; Y792-T794 PolarHBondContact O-N 3.36Å; T794-L798 PolarHBondContact O-N 3.44Å
795	L	97.5	Very high	96.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.3	-43.3	176.1	-178.2	73.2	0	0	0	111.3	L745 L746 L787 N791 Y792 V797 L798 C799 L827 F863	L745-L795 HydrophobicContact CD2-CB 4.05Å; L745-L795 HydrophobicContact CD2-CD1 3.96Å; L745-L795 HydrophobicContact CG-CB 4.29Å; L745-L795 HydrophobicContact CG-CD1 4.36Å; L746-L795 HydrophobicContact CD2-CD1 3.82Å; L746-L795 HydrophobicContact CD2-CD2 3.46Å; L746-L795 VanDerWaalsContact CD2-CD2 3.46Å; L746-L795 HydrophobicContact CD2-CG 4.28Å; L746-L795 HydrophobicContact CG-CD1 4.42Å; L787-L795 HydrophobicContact CD1-CD2 3.61Å; N791-L795 WeakPolarHBondContact O-CB 3.18Å; N791-L795 PolarHBondContact O-N 3.19Å; Y792-L795 PolarHBondContact O-N 3.29Å; L795-V797 PolarHBondContact O-N 3.48Å; L795-L798 PolarHBondContact O-N 2.98Å; L795-C799 WeakPolarHBondContact O-CB 3.3Å; L795-C799 PolarHBondContact O-N 3.2Å; L795-L827 HydrophobicContact CD1-CD2 4.42Å; L795-F863 HydrophobicContact CD2-CE1 4.44Å; L795-F863 HydrophobicContact CD2-CZ 3.83Å; L795-F863 HydrophobicContact CG-CZ 3.92Å
796	K	97.8	Very high	96.8	Very high	33 Å²	33	24 Å²	24	14%	0.143	13%	0.125	C	C	.	.	H	α-helix	trans	-54.9	-53.6	177.8	177.1	163.7	177.4	156.6	0	111.3	Y792 L798 C799 L800 F863 E865	Y792-K796 HydrophobicContact CE1-CD 4.06Å; Y792-K796 VanDerWaalsContact O-CB 3.28Å; Y792-K796 WeakPolarHBondContact O-CB 3.39Å; Y792-K796 PolarHBondContact O-N 3.19Å; K796-L798 VanDerWaalsContact C-N 3.32Å; K796-L798 PolarHBondContact O-N 2.84Å; K796-C799 PolarHBondContact O-N 3.1Å; K796-L800 HydrophobicContact CG-CD1 3.77Å; K796-L800 WeakPolarHBondContact O-CB 3.46Å; K796-L800 WeakPolarHBondContact O-CD1 3.44Å; K796-L800 WeakPolarHBondContact O-CG 3.49Å; K796-L800 PolarHBondContact O-N 3.11Å; K796-L800 VanDerWaalsContact O-N 3.08Å; K796-F863 HydrophobicContact CB-CD1 3.72Å; K796-F863 HydrophobicContact CB-CD2 4.36Å; K796-F863 HydrophobicContact CB-CE1 3.93Å; K796-F863 HydrophobicContact CB-CG 3.97Å; K796-F863 HydrophobicContact CB-CZ 4.38Å; K796-F863 HydrophobicContact CD-CB 3.84Å; K796-F863 HydrophobicContact CD-CD1 3.96Å; K796-F863 HydrophobicContact CD-CG 4.06Å; K796-F863 HydrophobicContact CG-CB 3.85Å; K796-F863 HydrophobicContact CG-CD1 3.86Å; K796-F863 HydrophobicContact CG-CD2 4.29Å; K796-F863 HydrophobicContact CG-CG 3.73Å; K796-F863 PolarHBondContact NZ-O 2.97Å; K796-E865 WeakPolarHBondContact CE-OE1 3.28Å; K796-E865 IonicContact NZ-OE1 2.71Å; K796-E865 PolarHBondContact NZ-OE1 3.32Å
797	V	97.6	Very high	96.8	Very high	42 Å²	42	21.1 Å²	21.1	26%	0.255	11%	0.11	S	C	.	.	H	α-helix	trans	-58.2	-43	177.1	171.4	0	0	0	0	111.8	V677 L681 E793 L795 H801	V677-V797 HydrophobicContact CG1-CB 4.33Å; V677-V797 HydrophobicContact CG1-CG2 4.23Å; V677-V797 HydrophobicContact CG2-CG2 4.13Å; L681-V797 HydrophobicContact CD2-CB 4.15Å; L681-V797 HydrophobicContact CD2-CG1 3.99Å; L681-V797 HydrophobicContact CG-CG1 4.13Å; E793-V797 PolarHBondContact O-N 3.31Å; L795-V797 PolarHBondContact O-N 3.48Å; V797-H801 WeakPolarHBondContact O-CB 3.28Å; V797-H801 PolarHBondContact O-N 3.26Å; V797-H801 VanDerWaalsContact O-N 3.14Å
798	L	98	Very high	96.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67.5	-50.8	180	-179.8	67.9	0	0	0	112.7	L681 I734 L738 L745 T794 L795 K796 L800 H801 L802 F823 L827	L681-L798 HydrophobicContact CD1-CB 4.43Å; L681-L798 HydrophobicContact CD1-CD1 3.96Å; L681-L798 HydrophobicContact CD2-CB 4.21Å; I734-L798 HydrophobicContact CG2-CD1 3.96Å; L738-L798 HydrophobicContact CD1-CD1 4.26Å; L738-L798 HydrophobicContact CD1-CD2 3.56Å; L738-L798 HydrophobicContact CD2-CD2 4.36Å; L745-L798 HydrophobicContact CD2-CD2 4.24Å; T794-L798 PolarHBondContact O-N 3.44Å; L795-L798 PolarHBondContact O-N 2.98Å; K796-L798 VanDerWaalsContact C-N 3.32Å; K796-L798 PolarHBondContact O-N 2.84Å; L798-L800 PolarHBondContact O-N 3.47Å; L798-H801 WeakPolarHBondContact O-CB 3.41Å; L798-H801 PolarHBondContact O-N 3.27Å; L798-L802 HydrophobicContact CD1-CD1 4Å; L798-L802 HydrophobicContact CD1-CG 4.18Å; L798-L802 HydrophobicContact CG-CD1 3.95Å; L798-L802 HydrophobicContact CG-CG 4.41Å; L798-L802 VanDerWaalsContact O-CG 3.31Å; L798-L802 WeakPolarHBondContact O-CG 3.43Å; L798-L802 PolarHBondContact O-N 2.8Å; L798-F823 HydrophobicContact CD1-CE1 3.94Å; L798-F823 HydrophobicContact CD1-CZ 4.34Å; L798-F823 HydrophobicContact CD2-CD1 4.37Å; L798-F823 HydrophobicContact CD2-CE1 4.35Å; L798-L827 HydrophobicContact CD2-CD2 3.69Å
799	C	98	Very high	96.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.2	-38.7	-176.5	-74.9	0	0	0	0	112.1	L795 K796 L802 N803 A859 F863	L795-C799 WeakPolarHBondContact O-CB 3.3Å; L795-C799 PolarHBondContact O-N 3.2Å; K796-C799 PolarHBondContact O-N 3.1Å; C799-L802 PolarHBondContact O-N 3.48Å; C799-N803 WeakPolarHBondContact O-CB 3.2Å; C799-N803 PolarHBondContact O-N 3.33Å; C799-A859 HydrophobicContact CB-CB 3.97Å; C799-A859 WeakPolarHBondContact O-CB 3.42Å; C799-F863 HydrophobicContact CB-CD2 4.44Å; C799-F863 HydrophobicContact CB-CE2 3.71Å
800	L	97.7	Very high	96.4	Very high	9 Å²	9	23.1 Å²	23.1	5%	0.047	12%	0.121	C	C	.	.	H	α-helix	trans	-63.3	-45.5	173.1	-66.4	166.2	0	0	0	111.1	K796 L798 L802 N803 R804 A859 Y860 E865	K796-L800 HydrophobicContact CG-CD1 3.77Å; K796-L800 WeakPolarHBondContact O-CB 3.46Å; K796-L800 WeakPolarHBondContact O-CD1 3.44Å; K796-L800 WeakPolarHBondContact O-CG 3.49Å; K796-L800 PolarHBondContact O-N 3.11Å; K796-L800 VanDerWaalsContact O-N 3.08Å; L798-L800 PolarHBondContact O-N 3.47Å; L800-L802 PolarHBondContact O-N 2.93Å; L800-N803 PolarHBondContact O-N 3.25Å; L800-R804 VanDerWaalsContact O-CG 3.27Å; L800-R804 WeakPolarHBondContact O-CG 3.45Å; L800-R804 PolarHBondContact O-N 3.02Å; L800-A859 HydrophobicContact CD2-CB 4.06Å; L800-Y860 HydrophobicContact CD2-CD1 3.68Å; L800-Y860 HydrophobicContact CD2-CD2 4.03Å; L800-Y860 HydrophobicContact CD2-CE1 3.75Å; L800-Y860 HydrophobicContact CD2-CE2 4.08Å; L800-Y860 HydrophobicContact CD2-CG 3.83Å; L800-E865 HydrophobicContact CD1-CG 3.88Å; L800-E865 HydrophobicContact CD2-CB 4.23Å; L800-E865 HydrophobicContact CD2-CG 4.42Å
801	H	97.7	Very high	96.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.2	-46	174.1	177.5	66.1	0	0	0	112.6	V685 E689 Y699 V797 L798 N803 R804 V805	V685-H801 HydrophobicContact CG1-CB 4Å; V685-H801 HydrophobicContact CG2-CB 4.04Å; E689-H801 WeakPolarHBondContact CG-ND1 3.47Å; E689-H801 IonicContact OE1-CE1 3.36Å; E689-H801 IonicContact OE1-CG 3.95Å; E689-H801 IonicContact OE1-ND1 3.62Å; E689-H801 PolarHBondContact OE1-ND1 3.36Å; Y699-H801 AromaticContact CE2-NE2 3.7Å; Y699-H801 AromaticContact CZ-CD2 3.98Å; Y699-H801 AromaticContact CZ-NE2 3.69Å; Y699-H801 PolarHBondContact OH-CD2 3.06Å; Y699-H801 PolarHBondContact OH-NE2 3.16Å; V797-H801 WeakPolarHBondContact O-CB 3.28Å; V797-H801 PolarHBondContact O-N 3.26Å; V797-H801 VanDerWaalsContact O-N 3.14Å; L798-H801 WeakPolarHBondContact O-CB 3.41Å; L798-H801 PolarHBondContact O-N 3.27Å; H801-N803 VanDerWaalsContact C-N 3.34Å; H801-N803 PolarHBondContact O-N 3.12Å; H801-R804 WeakPolarHBondContact O-CB 3.32Å; H801-R804 PolarHBondContact O-N 3.3Å; H801-V805 WeakPolarHBondContact O-CG2 3.5Å; H801-V805 PolarHBondContact O-N 3.47Å
802	L	98	Very high	96.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.1	-32.6	179.4	-65	178.2	0	0	0	112.3	Y699 L798 C799 L800 V805 S806 L819 F823 I856	Y699-L802 HydrophobicContact CD2-CD2 3.96Å; Y699-L802 HydrophobicContact CE2-CD2 3.66Å; L798-L802 HydrophobicContact CD1-CD1 4Å; L798-L802 HydrophobicContact CD1-CG 4.18Å; L798-L802 HydrophobicContact CG-CD1 3.95Å; L798-L802 HydrophobicContact CG-CG 4.41Å; L798-L802 VanDerWaalsContact O-CG 3.31Å; L798-L802 WeakPolarHBondContact O-CG 3.43Å; L798-L802 PolarHBondContact O-N 2.8Å; C799-L802 PolarHBondContact O-N 3.48Å; L800-L802 PolarHBondContact O-N 2.93Å; L802-V805 PolarHBondContact O-N 3.34Å; L802-S806 PolarHBondContact O-N 3.36Å; L802-S806 VanDerWaalsContact O-N 3.08Å; L802-L819 HydrophobicContact CB-CD1 4.31Å; L802-L819 HydrophobicContact CD2-CD2 4.27Å; L802-L819 VanDerWaalsContact O-CD1 3.25Å; L802-L819 WeakPolarHBondContact O-CD1 3.46Å; L802-F823 HydrophobicContact CD1-CD1 4.03Å; L802-F823 HydrophobicContact CD1-CD2 3.64Å; L802-F823 HydrophobicContact CD1-CE1 4.1Å; L802-F823 HydrophobicContact CD1-CE2 3.72Å; L802-F823 HydrophobicContact CD1-CG 3.79Å; L802-F823 HydrophobicContact CD1-CZ 3.94Å; L802-F823 HydrophobicContact CD2-CD2 4.11Å; L802-F823 HydrophobicContact CD2-CE2 3.44Å; L802-F823 VanDerWaalsContact CD2-CE2 3.44Å; L802-F823 HydrophobicContact CD2-CZ 3.77Å; L802-F823 HydrophobicContact CG-CE2 4.25Å; L802-F823 HydrophobicContact CG-CZ 4.44Å; L802-I856 HydrophobicContact CB-CD1 4.07Å; L802-I856 HydrophobicContact CB-CG1 3.87Å; L802-I856 HydrophobicContact CB-CG2 3.95Å; L802-I856 HydrophobicContact CD1-CD1 3.74Å; L802-I856 HydrophobicContact CD1-CG1 4.01Å
803	N	97.6	Very high	96	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-63.2	-47.4	170.1	-165.1	-87.7	0	0	0	110.8	C799 L800 H801 V805 S806 W807 I856 K857 A859 Y860	C799-N803 WeakPolarHBondContact O-CB 3.2Å; C799-N803 PolarHBondContact O-N 3.33Å; L800-N803 PolarHBondContact O-N 3.25Å; H801-N803 VanDerWaalsContact C-N 3.34Å; H801-N803 PolarHBondContact O-N 3.12Å; N803-V805 VanDerWaalsContact C-N 3.31Å; N803-V805 PolarHBondContact O-N 2.68Å; N803-S806 PolarHBondContact O-N 2.94Å; N803-S806 PolarHBondContact O-OG 3.32Å; N803-W807 PolarHBondContact O-N 3.13Å; N803-W807 PolarHBondContact O-NE1 3.02Å; N803-W807 PolarHBondContact OD1-NE1 3.3Å; N803-I856 WeakPolarHBondContact CB-O 3.38Å; N803-I856 PolarHBondContact ND2-O 3.44Å; N803-K857 PolarHBondContact ND2-O 3.24Å; N803-K857 VanDerWaalsContact ND2-O 3.08Å; N803-A859 HydrophobicContact CB-CB 4.06Å; N803-Y860 HydrophobicContact CB-CD2 4.46Å; N803-Y860 HydrophobicContact CB-CE2 4.04Å; N803-Y860 WeakPolarHBondContact OD1-CE2 3.46Å
804	R	97	Very high	95.8	Very high	31 Å²	31	24.8 Å²	24.8	12%	0.117	13%	0.131	C	C	.	.	H	α-helix	trans	-57.5	-40.7	174.7	-64.5	161.5	-168	156.2	0.6	112.1	E689 L800 H801 S806 W807 F808 Y860 D870 L874	E689-R804 WeakPolarHBondContact OE1-CD 3.21Å; E689-R804 IonicContact OE1-CZ 3.65Å; E689-R804 IonicContact OE1-NE 3.15Å; E689-R804 IonicContact OE1-NH1 2.71Å; E689-R804 PolarHBondContact OE1-NH1 3.06Å; E689-R804 IonicContact OE2-NH1 3.75Å; E689-R804 PolarHBondContact OE2-NH1 3.45Å; L800-R804 VanDerWaalsContact O-CG 3.27Å; L800-R804 WeakPolarHBondContact O-CG 3.45Å; L800-R804 PolarHBondContact O-N 3.02Å; H801-R804 WeakPolarHBondContact O-CB 3.32Å; H801-R804 PolarHBondContact O-N 3.3Å; R804-S806 VanDerWaalsContact C-N 3.33Å; R804-S806 PolarHBondContact O-N 3.38Å; R804-W807 HydrophobicContact CB-CE3 4.37Å; R804-W807 HydrophobicContact CG-CE3 4.32Å; R804-W807 HydrophobicContact CG-CH2 4.22Å; R804-W807 HydrophobicContact CG-CZ3 4.03Å; R804-W807 WeakPolarHBondContact O-CB 3.46Å; R804-W807 PolarHBondContact O-N 3.21Å; R804-F808 WeakPolarHBondContact O-CD2 3.48Å; R804-Y860 WeakPolarHBondContact CG-OH 3.27Å; R804-Y860 PolarHBondContact NE-OH 3.44Å; R804-D870 IonicContact CZ-OD1 2.7Å; R804-D870 IonicContact CZ-OD2 2.79Å; R804-D870 VanDerWaalsContact NE-CG 3.28Å; R804-D870 IonicContact NE-OD1 3.8Å; R804-D870 IonicContact NE-OD2 3.63Å; R804-D870 PolarHBondContact NE-OD2 3.43Å; R804-D870 IonicContact NH2-OD1 2.63Å; R804-D870 IonicContact NH2-OD2 3.77Å; R804-D870 PolarHBondContact NH2-OD2 3.05Å; R804-L874 HydrophobicContact CB-CD1 3.77Å; R804-L874 HydrophobicContact CG-CD1 3.79Å
805	V	97	Very high	95.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.6	-40.5	174.6	172.4	0	0	0	0	111.4	L693 L698 Y699 H801 L802 N803 W807 F808 N812 L819	L693-V805 HydrophobicContact CD2-CG2 3.61Å; L698-V805 HydrophobicContact CD2-CG1 4.14Å; L698-V805 HydrophobicContact CD2-CG2 4.1Å; Y699-V805 HydrophobicContact CE2-CG2 4.21Å; H801-V805 WeakPolarHBondContact O-CG2 3.5Å; H801-V805 PolarHBondContact O-N 3.47Å; L802-V805 PolarHBondContact O-N 3.34Å; N803-V805 VanDerWaalsContact C-N 3.31Å; N803-V805 PolarHBondContact O-N 2.68Å; V805-W807 PolarHBondContact O-N 2.99Å; V805-F808 PolarHBondContact O-N 2.88Å; V805-F808 VanDerWaalsContact O-N 3.16Å; V805-N812 PolarHBondContact O-ND2 2.86Å; V805-L819 HydrophobicContact CB-CD1 4.17Å; V805-L819 HydrophobicContact CG1-CD1 3.98Å; V805-L819 HydrophobicContact CG1-CD2 4.25Å
806	S	96.1	Very high	95.4	Very high	15 Å²	15	26.1 Å²	26.1	11%	0.105	14%	0.141	C	C	.	.	H	α-helix	trans	-66.8	-18.9	177.4	75.7	0	0	0	0	114.1	L802 N803 R804 F808 E809	L802-S806 PolarHBondContact O-N 3.36Å; L802-S806 VanDerWaalsContact O-N 3.08Å; N803-S806 PolarHBondContact O-N 2.94Å; N803-S806 PolarHBondContact O-OG 3.32Å; R804-S806 VanDerWaalsContact C-N 3.33Å; R804-S806 PolarHBondContact O-N 3.38Å; S806-F808 PolarHBondContact O-N 2.91Å; S806-E809 WeakPolarHBondContact O-CB 3.48Å; S806-E809 PolarHBondContact O-N 2.87Å
807	W	94.9	Very high	95.2	Very high	22 Å²	22	27.3 Å²	27.3	8%	0.083	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-21.5	173.5	-57.9	-11	0	0	0	113.1	N803 R804 V805 Y860 V867 D870 L871 L874 V876	N803-W807 PolarHBondContact O-N 3.13Å; N803-W807 PolarHBondContact O-NE1 3.02Å; N803-W807 PolarHBondContact OD1-NE1 3.3Å; R804-W807 HydrophobicContact CB-CE3 4.37Å; R804-W807 HydrophobicContact CG-CE3 4.32Å; R804-W807 HydrophobicContact CG-CH2 4.22Å; R804-W807 HydrophobicContact CG-CZ3 4.03Å; R804-W807 WeakPolarHBondContact O-CB 3.46Å; R804-W807 PolarHBondContact O-N 3.21Å; V805-W807 PolarHBondContact O-N 2.99Å; W807-Y860 AromaticContact CH2-CE2 3.89Å; W807-Y860 HydrophobicContact CH2-CE2 3.89Å; W807-Y860 AromaticContact CH2-CZ 3.68Å; W807-Y860 WeakPolarHBondContact CH2-OH 3.3Å; W807-Y860 HydrophobicContact CZ2-CD2 4.27Å; W807-Y860 AromaticContact CZ2-CE2 3.4Å; W807-Y860 HydrophobicContact CZ2-CE2 3.4Å; W807-Y860 AromaticContact CZ2-CZ 3.72Å; W807-V867 HydrophobicContact CH2-CG2 3.61Å; W807-V867 HydrophobicContact CZ2-CG2 3.48Å; W807-V867 VanDerWaalsContact CZ2-CG2 3.48Å; W807-D870 HydrophobicContact CH2-CB 3.92Å; W807-D870 HydrophobicContact CZ3-CB 4.01Å; W807-L871 HydrophobicContact CD2-CD2 4.22Å; W807-L871 HydrophobicContact CE3-CD2 3.85Å; W807-L871 HydrophobicContact CH2-CD2 3.84Å; W807-L871 HydrophobicContact CH2-CG 3.93Å; W807-L871 HydrophobicContact CZ2-CD2 4.25Å; W807-L871 HydrophobicContact CZ3-CD2 3.64Å; W807-L871 HydrophobicContact CZ3-CG 4Å; W807-L874 HydrophobicContact CE3-CD1 4.36Å; W807-L874 HydrophobicContact CZ3-CD1 4.26Å; W807-V876 HydrophobicContact CB-CG1 4.32Å; W807-V876 HydrophobicContact CB-CG2 4.38Å; W807-V876 HydrophobicContact CE3-CB 4.45Å; W807-V876 HydrophobicContact CE3-CG2 3.99Å
808	F	94.7	Very high	94.9	Very high	29 Å²	29	27.8 Å²	27.8	13%	0.127	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	25.2	177.9	-63.6	-90.1	0	0	0	112.2	L693 N694 R804 V805 S806 A810 E811 N812 L874 V876	L693-F808 HydrophobicContact CB-CD2 3.82Å; L693-F808 HydrophobicContact CB-CE2 4.15Å; L693-F808 HydrophobicContact CB-CG 4.1Å; L693-F808 HydrophobicContact CD1-CD2 3.92Å; L693-F808 HydrophobicContact CD1-CE2 3.49Å; L693-F808 VanDerWaalsContact CD1-CE2 3.49Å; L693-F808 HydrophobicContact CD1-CZ 4.12Å; L693-F808 HydrophobicContact CG-CD2 4.42Å; L693-F808 HydrophobicContact CG-CE2 4.42Å; N694-F808 WeakPolarHBondContact OD1-CD1 3.43Å; R804-F808 WeakPolarHBondContact O-CD2 3.48Å; V805-F808 PolarHBondContact O-N 2.88Å; V805-F808 VanDerWaalsContact O-N 3.16Å; S806-F808 PolarHBondContact O-N 2.91Å; F808-A810 PolarHBondContact O-N 2.97Å; F808-E811 PolarHBondContact O-N 3.07Å; F808-E811 VanDerWaalsContact O-N 3.14Å; F808-N812 WeakPolarHBondContact O-CB 3.35Å; F808-N812 PolarHBondContact O-N 3.25Å; F808-N812 PolarHBondContact O-ND2 3.29Å; F808-N812 PolarHBondContact O-OD1 2.97Å; F808-L874 HydrophobicContact CE2-CB 4.33Å; F808-L874 HydrophobicContact CE2-CD1 4.47Å; F808-L874 HydrophobicContact CZ-CB 4.2Å; F808-V876 HydrophobicContact CE1-CG2 4.18Å; F808-V876 HydrophobicContact CE2-CG2 3.69Å; F808-V876 HydrophobicContact CZ-CG2 3.43Å; F808-V876 VanDerWaalsContact CZ-CG2 3.43Å
809	E	92.5	Very high	94.8	Very high	87 Å²	87	27.8 Å²	27.8	41%	0.407	15%	0.152	S	C	.	.	H	α-helix	trans	-55.5	-34.7	-178.1	179.4	175.7	168.4	0	0	113.3	S806 E811 N812 Q813 S815	S806-E809 WeakPolarHBondContact O-CB 3.48Å; S806-E809 PolarHBondContact O-N 2.87Å; E809-E811 PolarHBondContact O-N 3.32Å; E809-N812 WeakPolarHBondContact CA-OD1 3.45Å; E809-Q813 WeakPolarHBondContact O-CA 3.32Å; E809-Q813 PolarHBondContact O-N 3.11Å; E809-Q813 PolarHBondContact O-NE2 3.37Å; E809-S815 WeakPolarHBondContact OE1-CB 3.36Å; E809-S815 WeakPolarHBondContact OE2-CA 3.43Å; E809-S815 WeakPolarHBondContact OE2-CB 3.37Å
810	A	91.4	Very high	94.6	Very high	76 Å²	76	27.8 Å²	27.8	63%	0.628	15%	0.152	S	C	*	.	H	α-helix	trans	-60	-46.9	177.4	0	0	0	0	0	111.7	F808 Q813	F808-A810 PolarHBondContact O-N 2.97Å; A810-Q813 PolarHBondContact O-NE2 3.44Å
811	E	92	Very high	94.2	Very high	92 Å²	92	32 Å²	32	43%	0.43	17%	0.173	S	C	.	.	H	α-helix	trans	-74	-47.3	176.7	-69	68.6	-153.9	0	0	112	N694 K696 F808 E809	N694-E811 HydrophobicContact CB-CB 4.19Å; K696-E811 WeakPolarHBondContact CE-O 3.26Å; K696-E811 WeakPolarHBondContact CG-O 3.15Å; F808-E811 PolarHBondContact O-N 3.07Å; F808-E811 VanDerWaalsContact O-N 3.14Å; E809-E811 PolarHBondContact O-N 3.32Å
812	N	93.3	Very high	93.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-100.1	-15.8	-164.3	77.4	24.5	0	0	0	115.1	L693 V695 K696 G697 V805 F808 E809 M814	L693-N812 VanDerWaalsContact O-CB 3.24Å; L693-N812 WeakPolarHBondContact O-CB 3.21Å; L693-N812 PolarHBondContact O-ND2 2.97Å; V695-N812 WeakPolarHBondContact O-CB 3.32Å; K696-N812 WeakPolarHBondContact CA-O 3.39Å; G697-N812 PolarHBondContact N-O 3.2Å; V805-N812 PolarHBondContact O-ND2 2.86Å; F808-N812 WeakPolarHBondContact O-CB 3.35Å; F808-N812 PolarHBondContact O-N 3.25Å; F808-N812 PolarHBondContact O-ND2 3.29Å; F808-N812 PolarHBondContact O-OD1 2.97Å; E809-N812 WeakPolarHBondContact CA-OD1 3.45Å; N812-M814 WeakPolarHBondContact OD1-CB 3.49Å; N812-M814 PolarHBondContact OD1-N 3.37Å
813	Q	92.7	Very high	93.8	Very high	81 Å²	81	33.4 Å²	33.4	38%	0.379	18%	0.182	S	C	.	.			trans	65.2	31.8	177.4	-50.9	-77.3	-81.3	0	0	114.8	R700 E809 A810 N818	R700-Q813 PolarHBondContact NH1-O 2.92Å; R700-Q813 VanDerWaalsContact NH1-O 3.09Å; E809-Q813 WeakPolarHBondContact O-CA 3.32Å; E809-Q813 PolarHBondContact O-N 3.11Å; E809-Q813 PolarHBondContact O-NE2 3.37Å; A810-Q813 PolarHBondContact O-NE2 3.44Å; Q813-N818 PolarHBondContact O-ND2 3.21Å; Q813-N818 VanDerWaalsContact O-ND2 3.08Å
814	M	93.7	Very high	93.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.			trans	-127.1	80.8	-176.5	-62.7	-59.4	-57.9	0	0	112.6	L698 R700 N812 N818 L819 V822	L698-M814 WeakPolarHBondContact O-CG 3.48Å; R700-M814 HydrophobicContact CB-CE 3.8Å; R700-M814 HydrophobicContact CB-SD 3.59Å; R700-M814 VanDerWaalsContact CB-SD 3.59Å; N812-M814 WeakPolarHBondContact OD1-CB 3.49Å; N812-M814 PolarHBondContact OD1-N 3.37Å; M814-N818 HydrophobicContact CE-CB 3.81Å; M814-N818 HydrophobicContact SD-CB 4.23Å; M814-L819 HydrophobicContact CB-CD2 4.04Å; M814-L819 HydrophobicContact CB-CG 4.16Å; M814-L819 HydrophobicContact CE-CD2 3.65Å; M814-L819 HydrophobicContact CE-CG 4.17Å; M814-V822 HydrophobicContact CE-CG2 4.2Å
815	S	93.5	Very high	93.2	Very high	14 Å²	14	34.8 Å²	34.8	10%	0.098	20%	0.195	C	C	.	.			trans	-57.7	165.1	167.7	70.2	0	0	0	0	113.1	E809 T817 N818 L819	E809-S815 WeakPolarHBondContact OE1-CB 3.36Å; E809-S815 WeakPolarHBondContact OE2-CA 3.43Å; E809-S815 WeakPolarHBondContact OE2-CB 3.37Å; S815-T817 PolarHBondContact O-N 3.33Å; S815-T817 PolarHBondContact OG-N 3.43Å; S815-N818 PolarHBondContact O-N 2.97Å; S815-N818 VanDerWaalsContact O-N 3.09Å; S815-N818 PolarHBondContact OG-N 3.09Å; S815-L819 WeakPolarHBondContact O-CG 3.45Å; S815-L819 PolarHBondContact O-N 2.88Å
816	A	93.2	Very high	92.9	Very high	14 Å²	14	35 Å²	35	12%	0.116	20%	0.196	C	C	.	.	H	α-helix	trans	-55.2	-34.9	170.4	0	0	0	0	0	112.4	G820 I856 K857	A816-G820 PolarHBondContact O-N 3.27Å; A816-I856 HydrophobicContact CB-CG2 3.95Å; A816-K857 HydrophobicContact CB-CB 4.28Å
817	T	92	Very high	92.9	Very high	57 Å²	57	34.2 Å²	34.2	35%	0.35	19%	0.191	S	C	.	.	H	α-helix	trans	-67.2	-46.4	174	-37.8	0	0	0	0	111.7	S815 L819 G820 I821 E853	S815-T817 PolarHBondContact O-N 3.33Å; S815-T817 PolarHBondContact OG-N 3.43Å; T817-L819 VanDerWaalsContact C-N 3.29Å; T817-L819 PolarHBondContact O-N 2.93Å; T817-G820 PolarHBondContact O-N 2.89Å; T817-G820 VanDerWaalsContact O-N 3.15Å; T817-I821 WeakPolarHBondContact O-CG1 3.27Å; T817-I821 PolarHBondContact O-N 3.43Å; T817-E853 WeakPolarHBondContact CB-OE1 3.4Å; T817-E853 WeakPolarHBondContact CG2-OE1 3.34Å; T817-E853 PolarHBondContact OG1-OE1 3Å
818	N	92.9	Very high	92.7	Very high	53 Å²	53	33.2 Å²	33.2	28%	0.283	19%	0.188	S	C	.	.	H	α-helix	trans	-63.3	-34.9	177	-72.4	-8.9	0	0	0	112	Q813 M814 S815 V822	Q813-N818 PolarHBondContact O-ND2 3.21Å; Q813-N818 VanDerWaalsContact O-ND2 3.08Å; M814-N818 HydrophobicContact CE-CB 3.81Å; M814-N818 HydrophobicContact SD-CB 4.23Å; S815-N818 PolarHBondContact O-N 2.97Å; S815-N818 VanDerWaalsContact O-N 3.09Å; S815-N818 PolarHBondContact OG-N 3.09Å; N818-V822 WeakPolarHBondContact O-CG2 3.14Å; N818-V822 PolarHBondContact O-N 3.34Å
819	L	95.3	Very high	92.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-73.6	-38.7	173.4	-65.2	169	0	0	0	111.2	Y699 L802 V805 M814 S815 T817 I821 V822 F823 I856	Y699-L819 HydrophobicContact CD2-CD2 4.04Å; L802-L819 HydrophobicContact CB-CD1 4.31Å; L802-L819 HydrophobicContact CD2-CD2 4.27Å; L802-L819 VanDerWaalsContact O-CD1 3.25Å; L802-L819 WeakPolarHBondContact O-CD1 3.46Å; V805-L819 HydrophobicContact CB-CD1 4.17Å; V805-L819 HydrophobicContact CG1-CD1 3.98Å; V805-L819 HydrophobicContact CG1-CD2 4.25Å; M814-L819 HydrophobicContact CB-CD2 4.04Å; M814-L819 HydrophobicContact CB-CG 4.16Å; M814-L819 HydrophobicContact CE-CD2 3.65Å; M814-L819 HydrophobicContact CE-CG 4.17Å; S815-L819 WeakPolarHBondContact O-CG 3.45Å; S815-L819 PolarHBondContact O-N 2.88Å; T817-L819 VanDerWaalsContact C-N 3.29Å; T817-L819 PolarHBondContact O-N 2.93Å; L819-I821 VanDerWaalsContact C-N 3.34Å; L819-I821 PolarHBondContact O-N 3.38Å; L819-V822 PolarHBondContact O-N 3.25Å; L819-V822 VanDerWaalsContact O-N 3.08Å; L819-F823 WeakPolarHBondContact O-CB 3.4Å; L819-F823 WeakPolarHBondContact O-CD2 3.44Å; L819-F823 PolarHBondContact O-N 3.32Å; L819-I856 HydrophobicContact CB-CD1 3.84Å
820	G	93.4	Very high	91.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-55.9	-44.5	173.1	0	0	0	0	0	112.9	A816 T817 V822 F823 G824	A816-G820 PolarHBondContact O-N 3.27Å; T817-G820 PolarHBondContact O-N 2.89Å; T817-G820 VanDerWaalsContact O-N 3.15Å; G820-V822 VanDerWaalsContact C-N 3.3Å; G820-V822 PolarHBondContact O-N 3.04Å; G820-F823 PolarHBondContact O-N 3.22Å; G820-G824 PolarHBondContact O-N 3.16Å
821	I	89	Confident	91	Very high	96 Å²	96	33.1 Å²	33.1	49%	0.492	17%	0.173	S	C	.	.	H	α-helix	trans	-59.9	-39.9	174.7	-66.9	162.7	0	0	0	111.3	T817 L819 T849	T817-I821 WeakPolarHBondContact O-CG1 3.27Å; T817-I821 PolarHBondContact O-N 3.43Å; L819-I821 VanDerWaalsContact C-N 3.34Å; L819-I821 PolarHBondContact O-N 3.38Å; I821-T849 HydrophobicContact CB-CG2 4.29Å; I821-T849 HydrophobicContact CG1-CG2 3.56Å
822	V	92.5	Very high	89.4	Confident	30 Å²	30	38 Å²	38	18%	0.182	20%	0.196	C	C	.	.	H	α-helix	trans	-77.3	-29.2	-177.8	172.9	0	0	0	0	112.8	R700 K735 M814 N818 L819 G820	R700-V822 HydrophobicContact CB-CG2 4.3Å; K735-V822 HydrophobicContact CD-CG1 3.46Å; K735-V822 VanDerWaalsContact CD-CG1 3.46Å; M814-V822 HydrophobicContact CE-CG2 4.2Å; N818-V822 WeakPolarHBondContact O-CG2 3.14Å; N818-V822 PolarHBondContact O-N 3.34Å; L819-V822 PolarHBondContact O-N 3.25Å; L819-V822 VanDerWaalsContact O-N 3.08Å; G820-V822 VanDerWaalsContact C-N 3.3Å; G820-V822 PolarHBondContact O-N 3.04Å
823	F	95.8	Very high	87.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-104.9	-22.8	-173.5	-84	-87.4	0	0	0	115.5	Y699 I734 K735 L738 L798 L802 L819 G820 S826 L827	Y699-F823 AromaticContact CD1-CE2 3.63Å; Y699-F823 HydrophobicContact CD1-CE2 3.63Å; Y699-F823 AromaticContact CD1-CZ 3.45Å; Y699-F823 HydrophobicContact CD1-CZ 3.45Å; Y699-F823 VanDerWaalsContact CD1-CZ 3.45Å; Y699-F823 HydrophobicContact CD2-CE2 4.15Å; Y699-F823 HydrophobicContact CE1-CE2 4.14Å; Y699-F823 AromaticContact CE1-CZ 3.61Å; Y699-F823 HydrophobicContact CE1-CZ 3.61Å; Y699-F823 AromaticContact CG-CE2 3.64Å; Y699-F823 HydrophobicContact CG-CE2 3.64Å; Y699-F823 AromaticContact CG-CZ 3.96Å; Y699-F823 HydrophobicContact CG-CZ 3.96Å; I734-F823 HydrophobicContact CG2-CE1 4.28Å; I734-F823 HydrophobicContact CG2-CZ 4.47Å; K735-F823 HydrophobicContact CG-CE1 4.21Å; K735-F823 HydrophobicContact CG-CZ 4.02Å; L738-F823 HydrophobicContact CD1-CD1 4.09Å; L738-F823 HydrophobicContact CD1-CE1 3.75Å; L798-F823 HydrophobicContact CD1-CE1 3.94Å; L798-F823 HydrophobicContact CD1-CZ 4.34Å; L798-F823 HydrophobicContact CD2-CD1 4.37Å; L798-F823 HydrophobicContact CD2-CE1 4.35Å; L802-F823 HydrophobicContact CD1-CD1 4.03Å; L802-F823 HydrophobicContact CD1-CD2 3.64Å; L802-F823 HydrophobicContact CD1-CE1 4.1Å; L802-F823 HydrophobicContact CD1-CE2 3.72Å; L802-F823 HydrophobicContact CD1-CG 3.79Å; L802-F823 HydrophobicContact CD1-CZ 3.94Å; L802-F823 HydrophobicContact CD2-CD2 4.11Å; L802-F823 HydrophobicContact CD2-CE2 3.44Å; L802-F823 VanDerWaalsContact CD2-CE2 3.44Å; L802-F823 HydrophobicContact CD2-CZ 3.77Å; L802-F823 HydrophobicContact CG-CE2 4.25Å; L802-F823 HydrophobicContact CG-CZ 4.44Å; L819-F823 WeakPolarHBondContact O-CB 3.4Å; L819-F823 WeakPolarHBondContact O-CD2 3.44Å; L819-F823 PolarHBondContact O-N 3.32Å; G820-F823 PolarHBondContact O-N 3.22Å; F823-S826 CarbonylContact O-C 3.56Å; F823-S826 WeakPolarHBondContact O-CA 3.49Å; F823-S826 PolarHBondContact O-N 2.96Å; F823-L827 HydrophobicContact CB-CD1 4.06Å; F823-L827 HydrophobicContact CB-CG 4.34Å; F823-L827 WeakPolarHBondContact O-CG 3.49Å; F823-L827 PolarHBondContact O-N 3.37Å
824	G	92	Very high	85.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-47.8	-58.3	178.9	0	0	0	0	0	112.9	G820 S826 L827 L828	G820-G824 PolarHBondContact O-N 3.16Å; G824-S826 PolarHBondContact O-N 3.19Å; G824-L827 PolarHBondContact O-N 3.26Å; G824-L828 PolarHBondContact O-N 3.48Å
825	P	88.9	Confident	83	Confident	64 Å²	64	47 Å²	47	42%	0.416	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-69.1	5.8	176.2	-20.1	33.7	0	0	0	115.7
826	S	90.9	Very high	81	Confident	4 Å²	4	47.1 Å²	47.1	3%	0.028	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-122.8	4.8	173	-57	0	0	0	0	112.3	F823 G824	F823-S826 CarbonylContact O-C 3.56Å; F823-S826 WeakPolarHBondContact O-CA 3.49Å; F823-S826 PolarHBondContact O-N 2.96Å; G824-S826 PolarHBondContact O-N 3.19Å
827	L	95.3	Very high	79.4	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-30	175.9	-69.8	-178.7	0	0	0	112.5	P744 L745 L746 L795 L798 F823 G824 A852	P744-L827 VanDerWaalsContact CB-O 3.32Å; P744-L827 WeakPolarHBondContact CB-O 3.07Å; L745-L827 HydrophobicContact CB-CD2 4.07Å; L745-L827 HydrophobicContact CD2-CD2 3.88Å; L746-L827 WeakPolarHBondContact CB-O 3.17Å; L746-L827 HydrophobicContact CD1-CB 4Å; L746-L827 HydrophobicContact CG-CB 4.49Å; L746-L827 PolarHBondContact N-O 3.15Å; L795-L827 HydrophobicContact CD1-CD2 4.42Å; L798-L827 HydrophobicContact CD2-CD2 3.69Å; F823-L827 HydrophobicContact CB-CD1 4.06Å; F823-L827 HydrophobicContact CB-CG 4.34Å; F823-L827 WeakPolarHBondContact O-CG 3.49Å; F823-L827 PolarHBondContact O-N 3.37Å; G824-L827 PolarHBondContact O-N 3.26Å; L827-A852 HydrophobicContact CD1-CB 4.14Å
828	L	92	Very high	77.9	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	28%	0.279	C	S	.	.			trans	-130.6	138.4	172.3	-54.1	97	0	0	0	109.9	L746 Y751 F754 V755 G824 Q848 V851	L746-L828 HydrophobicContact CB-CG 4.32Å; L746-L828 HydrophobicContact CD1-CD1 3.59Å; L746-L828 HydrophobicContact CD1-CD2 4.25Å; L746-L828 HydrophobicContact CD1-CG 3.7Å; Y751-L828 HydrophobicContact CD2-CB 3.87Å; Y751-L828 HydrophobicContact CD2-CD2 4.13Å; Y751-L828 HydrophobicContact CE2-CB 3.8Å; Y751-L828 HydrophobicContact CE2-CD2 4.39Å; F754-L828 HydrophobicContact CB-CD2 4Å; V755-L828 HydrophobicContact CG2-CD2 4.34Å; G824-L828 PolarHBondContact O-N 3.48Å; L828-Q848 HydrophobicContact CB-CB 4.42Å; L828-Q848 HydrophobicContact CB-CG 4.07Å; L828-Q848 HydrophobicContact CD1-CB 4.3Å; L828-V851 HydrophobicContact CD1-CB 4.03Å; L828-V851 HydrophobicContact CD1-CG1 3.89Å; L828-V851 HydrophobicContact CD2-CG1 4.27Å; L828-V851 HydrophobicContact CD2-CG2 4.5Å
829	W	87	Confident	76.6	Confident	50 Å²	50	45.9 Å²	45.9	19%	0.189	27%	0.266	C	S	.	.			trans	-154.9	166.9	158.9	58.5	92.1	0	0	0	108.8	L738 L741 P744 H748 Y751	L738-W829 WeakPolarHBondContact O-CH2 3.45Å; L741-W829 WeakPolarHBondContact O-CZ2 3.5Å; P744-W829 VanDerWaalsContact CA-CH2 3.47Å; P744-W829 HydrophobicContact CB-CD2 3.91Å; P744-W829 HydrophobicContact CB-CE3 3.8Å; P744-W829 HydrophobicContact CB-CH2 4.09Å; P744-W829 HydrophobicContact CB-CZ2 4.19Å; P744-W829 HydrophobicContact CB-CZ3 3.89Å; P744-W829 HydrophobicContact CG-CD2 4.28Å; P744-W829 VanDerWaalsContact N-CZ2 3.34Å; H748-W829 AromaticContact CE1-CD1 3.59Å; H748-W829 AromaticContact CE1-NE1 3.69Å; H748-W829 PolarHBondContact CE1-O 3.13Å; H748-W829 PolarHBondContact ND1-O 3.1Å; Y751-W829 WeakPolarHBondContact CD2-O 3.2Å
830	I	82.1	Confident	75.5	Confident	22 Å²	22	49 Å²	49	11%	0.113	28%	0.28	C	S	.	.			trans	-94.4	148.2	177.7	-58	169.4	0	0	0	108.3	Y751 E832 A837 K840	Y751-I830 HydrophobicContact CD1-CG1 4.28Å; Y751-I830 HydrophobicContact CD2-CG1 4.3Å; Y751-I830 HydrophobicContact CE1-CD1 4.04Å; Y751-I830 HydrophobicContact CE1-CG1 3.8Å; Y751-I830 HydrophobicContact CE2-CG1 3.75Å; Y751-I830 VanDerWaalsContact CZ-CG1 3.49Å; I830-E832 PolarHBondContact O-N 3.27Å; I830-A837 HydrophobicContact CG2-CB 3.77Å; I830-K840 HydrophobicContact CD1-CB 3.82Å; I830-K840 HydrophobicContact CD1-CD 3.87Å; I830-K840 HydrophobicContact CD1-CG 3.67Å
831	E	72.9	Confident	74.4	Confident	117 Å²	117	50.8 Å²	50.8	55%	0.547	29%	0.292	S	S	.	.			trans	-67.7	127.4	176.3	-168.6	171.7	-176.5	0	0	110.6	H748 G833	H748-E831 PolarHBondContact CE1-N 2.89Å; H748-E831 VanDerWaalsContact CE1-N 3.34Å; E831-G833 PolarHBondContact O-N 3.41Å
832	E	59.7	Low	73.6	Confident	196 Å²	196	49.3 Å²	49.3	92%	0.916	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	30.4	-173.3	-58.2	-177.5	149.8	0	0	114	I830	I830-E832 PolarHBondContact O-N 3.27Å
833	G	50.8	Low	72.7	Confident	68 Å²	68	48.7 Å²	48.7	70%	0.701	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.5	6.2	-177.1	0	0	0	0	0	115.1	E831	E831-G833 PolarHBondContact O-N 3.41Å
834	L	52.3	Low	72.1	Confident	114 Å²	114	49.1 Å²	49.1	60%	0.597	28%	0.283	S	S	*	.	S	Bend	trans	-111.3	134.1	-179.6	-66.9	164.3	0	0	0	110.3	G836 A837	L834-G836 PolarHBondContact O-N 2.86Å; L834-A837 HydrophobicContact CB-CB 4.39Å; L834-A837 WeakPolarHBondContact O-CB 3.49Å; L834-A837 PolarHBondContact O-N 3.43Å
835	S	40.5	Very low	71.5	Confident	87 Å²	87	50.7 Å²	50.7	61%	0.608	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	132.2	178.7	-56.4	0	0	0	0	111.4	E156 A837	E156-S835 VanDerWaalsContact OE1-CA 3.24Å; E156-S835 WeakPolarHBondContact OE1-CA 3.34Å; E156-S835 WeakPolarHBondContact OE1-CB 3.47Å; E156-S835 PolarHBondContact OE1-OG 3.11Å; S835-A837 VanDerWaalsContact C-N 3.3Å; S835-A837 PolarHBondContact O-N 2.86Å
836	G	52.4	Low	71.3	Confident	17 Å²	17	51.4 Å²	51.4	18%	0.175	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	79	-1.3	-175.3	0	0	0	0	0	116.1	L834 T838 F839 K840	L834-G836 PolarHBondContact O-N 2.86Å; G836-T838 VanDerWaalsContact C-N 3.29Å; G836-T838 PolarHBondContact O-N 3.25Å; G836-F839 PolarHBondContact O-N 2.99Å; G836-K840 PolarHBondContact O-N 3.41Å
837	A	58.7	Low	71.1	Confident	12 Å²	12	52.2 Å²	52.2	10%	0.099	31%	0.305	C	S	.	.	H	α-helix	trans	-53.9	-41.2	-179.2	0	0	0	0	0	113.4	I830 L834 S835 F839 K840 S841	I830-A837 HydrophobicContact CG2-CB 3.77Å; L834-A837 HydrophobicContact CB-CB 4.39Å; L834-A837 WeakPolarHBondContact O-CB 3.49Å; L834-A837 PolarHBondContact O-N 3.43Å; S835-A837 VanDerWaalsContact C-N 3.3Å; S835-A837 PolarHBondContact O-N 2.86Å; A837-F839 PolarHBondContact O-N 3.37Å; A837-K840 PolarHBondContact O-N 3.47Å; A837-S841 WeakPolarHBondContact O-CB 3.45Å; A837-S841 PolarHBondContact O-N 3.48Å
838	T	62	Low	70.8	Confident	83 Å²	83	52.5 Å²	52.5	51%	0.509	31%	0.306	S	S	.	.	H	α-helix	trans	-57.7	-46.7	176.3	-47.1	0	0	0	0	112	A163 G836 S841 L842	A163-T838 HydrophobicContact CB-CG2 4.21Å; G836-T838 VanDerWaalsContact C-N 3.29Å; G836-T838 PolarHBondContact O-N 3.25Å; T838-S841 PolarHBondContact O-N 3.19Å; T838-L842 WeakPolarHBondContact O-CG 3.35Å; T838-L842 PolarHBondContact O-N 3.32Å; T838-L842 VanDerWaalsContact O-N 3.17Å
839	F	64.7	Low	70.8	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.009	31%	0.314	C	S	.	.	H	α-helix	trans	-69.5	-44.5	-177.5	-166.3	-130.6	0	0	0	111.5	V52 V162 A163 G836 A837 S841 L842 L843	V52-F839 HydrophobicContact CB-CZ 4.45Å; V52-F839 HydrophobicContact CG1-CD2 4.39Å; V52-F839 HydrophobicContact CG1-CE1 4.33Å; V52-F839 HydrophobicContact CG1-CE2 3.32Å; V52-F839 HydrophobicContact CG1-CZ 3.29Å; V52-F839 WeakPolarHBondContact O-CZ 3.36Å; V162-F839 HydrophobicContact CB-CE2 4.33Å; V162-F839 HydrophobicContact CG1-CE2 3.69Å; V162-F839 HydrophobicContact CG1-CZ 3.92Å; A163-F839 HydrophobicContact CB-CB 4.18Å; A163-F839 HydrophobicContact CB-CD2 3.77Å; A163-F839 HydrophobicContact CB-CG 4.45Å; G836-F839 PolarHBondContact O-N 2.99Å; A837-F839 PolarHBondContact O-N 3.37Å; F839-S841 VanDerWaalsContact C-N 3.34Å; F839-S841 PolarHBondContact O-N 3.41Å; F839-L842 PolarHBondContact O-N 3.02Å; F839-L843 HydrophobicContact CD1-CD1 4.25Å; F839-L843 HydrophobicContact CE1-CD1 4.21Å; F839-L843 HydrophobicContact CZ-CD1 4.5Å; F839-L843 WeakPolarHBondContact O-CG 3.19Å; F839-L843 PolarHBondContact O-N 3.25Å; F839-L843 VanDerWaalsContact O-N 3.09Å
840	K	72	Confident	71	Confident	66 Å²	66	53.2 Å²	53.2	29%	0.287	31%	0.312	S	S	.	.	H	α-helix	trans	-62.3	-40	174.7	-170.1	177.3	179.6	-61.3	0	111.9	D752 I830 G836 A837 L843 D844	D752-K840 WeakPolarHBondContact OD1-CE 3.37Å; D752-K840 IonicContact OD1-NZ 3.82Å; D752-K840 PolarHBondContact OD1-NZ 2.75Å; I830-K840 HydrophobicContact CD1-CB 3.82Å; I830-K840 HydrophobicContact CD1-CD 3.87Å; I830-K840 HydrophobicContact CD1-CG 3.67Å; G836-K840 PolarHBondContact O-N 3.41Å; A837-K840 PolarHBondContact O-N 3.47Å; K840-L843 PolarHBondContact O-N 3.43Å; K840-D844 IonicContact NZ-OD2 3.7Å; K840-D844 PolarHBondContact NZ-OD2 2.68Å; K840-D844 VanDerWaalsContact O-CB 3.3Å; K840-D844 WeakPolarHBondContact O-CB 3.4Å; K840-D844 PolarHBondContact O-N 3.07Å
841	S	71.5	Confident	71.6	Confident	38 Å²	38	52.2 Å²	52.2	27%	0.266	31%	0.307	S	S	.	.	H	α-helix	trans	-63.5	-42.3	178.7	-168.1	0	0	0	0	112.3	A837 T838 F839 D844 A845	A837-S841 WeakPolarHBondContact O-CB 3.45Å; A837-S841 PolarHBondContact O-N 3.48Å; T838-S841 PolarHBondContact O-N 3.19Å; F839-S841 VanDerWaalsContact C-N 3.34Å; F839-S841 PolarHBondContact O-N 3.41Å; S841-D844 PolarHBondContact O-N 3.2Å; S841-A845 PolarHBondContact O-N 2.97Å
842	L	70.6	Confident	72.7	Confident	65 Å²	65	46.7 Å²	46.7	34%	0.34	28%	0.281	S	S	.	.	H	α-helix	trans	-62.2	-46.4	172.9	-69.8	171.4	0	0	0	111.8	A163 T838 F839 D844 A845	A163-L842 HydrophobicContact CB-CD1 3.91Å; A163-L842 WeakPolarHBondContact O-CD1 3.41Å; T838-L842 WeakPolarHBondContact O-CG 3.35Å; T838-L842 PolarHBondContact O-N 3.32Å; T838-L842 VanDerWaalsContact O-N 3.17Å; F839-L842 PolarHBondContact O-N 3.02Å; L842-D844 VanDerWaalsContact C-N 3.29Å; L842-D844 PolarHBondContact O-N 3.49Å; L842-A845 PolarHBondContact O-N 2.88Å
843	L	73.8	Confident	74.3	Confident	16 Å²	16	38.1 Å²	38.1	8%	0.084	24%	0.241	C	C	.	.	H	α-helix	trans	-67.7	-26.1	179.9	-75.6	176.1	0	0	0	114	V49 V52 R53 F839 K840	V49-L843 HydrophobicContact CG1-CD2 4.33Å; V52-L843 HydrophobicContact CB-CD2 4.12Å; V52-L843 HydrophobicContact CG1-CD1 4.22Å; V52-L843 HydrophobicContact CG1-CD2 3.67Å; V52-L843 HydrophobicContact CG1-CG 4.18Å; R53-L843 HydrophobicContact CG-CD1 3.85Å; R53-L843 HydrophobicContact CG-CD2 3.83Å; R53-L843 HydrophobicContact CG-CG 4.29Å; R53-L843 PolarHBondContact NH2-O 3.31Å; F839-L843 HydrophobicContact CD1-CD1 4.25Å; F839-L843 HydrophobicContact CE1-CD1 4.21Å; F839-L843 HydrophobicContact CZ-CD1 4.5Å; F839-L843 WeakPolarHBondContact O-CG 3.19Å; F839-L843 PolarHBondContact O-N 3.25Å; F839-L843 VanDerWaalsContact O-N 3.09Å; K840-L843 PolarHBondContact O-N 3.43Å
844	D	83.4	Confident	76.4	Confident	9 Å²	9	34.9 Å²	34.9	5%	0.048	21%	0.207	C	C	.	.	H	α-helix	trans	-92.1	-14.6	177.7	-76	-23.6	0	0	0	113.4	Y751 K840 S841 L842 P846 L847 Q848	Y751-D844 VanDerWaalsContact CE1-OD2 3.25Å; Y751-D844 WeakPolarHBondContact CE1-OD2 3.4Å; Y751-D844 WeakPolarHBondContact OH-CB 3.5Å; Y751-D844 PolarHBondContact OH-OD2 3.04Å; K840-D844 IonicContact NZ-OD2 3.7Å; K840-D844 PolarHBondContact NZ-OD2 2.68Å; K840-D844 VanDerWaalsContact O-CB 3.3Å; K840-D844 WeakPolarHBondContact O-CB 3.4Å; K840-D844 PolarHBondContact O-N 3.07Å; S841-D844 PolarHBondContact O-N 3.2Å; L842-D844 VanDerWaalsContact C-N 3.29Å; L842-D844 PolarHBondContact O-N 3.49Å; D844-P846 VanDerWaalsContact C-CD 3.48Å; D844-L847 CarbonylContact O-C 3.5Å; D844-L847 VanDerWaalsContact O-CA 3.28Å; D844-L847 WeakPolarHBondContact O-CA 3.45Å; D844-L847 VanDerWaalsContact O-CB 3.29Å; D844-L847 WeakPolarHBondContact O-CB 3.46Å; D844-L847 PolarHBondContact O-N 2.93Å; D844-Q848 HydrophobicContact CB-CG 4.42Å; D844-Q848 WeakPolarHBondContact O-CG 3.41Å; D844-Q848 PolarHBondContact O-N 2.88Å
845	A	80	Confident	78.5	Confident	34 Å²	34	29.5 Å²	29.5	28%	0.281	18%	0.179	S	C	.	.	H	α-helix	trans	-53.6	-38.4	-174.7	0	0	0	0	0	115.3	S841 L842 L847 T849	S841-A845 PolarHBondContact O-N 2.97Å; L842-A845 PolarHBondContact O-N 2.88Å; A845-L847 VanDerWaalsContact C-N 3.31Å; A845-L847 PolarHBondContact O-N 3.35Å; A845-T849 WeakPolarHBondContact O-CB 3.4Å; A845-T849 PolarHBondContact O-N 3.43Å; A845-T849 PolarHBondContact O-OG1 2.98Å
846	P	83.9	Confident	81.2	Confident	79 Å²	79	25.4 Å²	25.4	51%	0.513	15%	0.15	S	C	.	.	H	α-helix	trans	-67.3	-29.5	171	-20.5	34.1	0	0	0	113.4	D844 T849 R850	D844-P846 VanDerWaalsContact C-CD 3.48Å; P846-T849 WeakPolarHBondContact O-CB 3.38Å; P846-R850 WeakPolarHBondContact O-CB 3.44Å; P846-R850 PolarHBondContact O-N 3.1Å; P846-R850 VanDerWaalsContact O-N 3.07Å
847	L	87.7	Confident	83.2	Confident	21 Å²	21	27.6 Å²	27.6	11%	0.11	16%	0.155	C	C	.	.	H	α-helix	trans	-77.2	-41.2	176.7	-57.5	174	0	0	0	111.2	V755 A758 K759 D844 A845 T849 R850 V851	V755-L847 HydrophobicContact CG1-CB 4.02Å; V755-L847 HydrophobicContact CG1-CD1 3.73Å; A758-L847 HydrophobicContact CB-CB 4.14Å; A758-L847 HydrophobicContact CB-CD2 4.19Å; A758-L847 WeakPolarHBondContact CB-O 3.47Å; K759-L847 HydrophobicContact CD-CD1 4.45Å; K759-L847 HydrophobicContact CG-CD1 3.69Å; K759-L847 HydrophobicContact CG-CD2 4.21Å; D844-L847 CarbonylContact O-C 3.5Å; D844-L847 VanDerWaalsContact O-CA 3.28Å; D844-L847 WeakPolarHBondContact O-CA 3.45Å; D844-L847 VanDerWaalsContact O-CB 3.29Å; D844-L847 WeakPolarHBondContact O-CB 3.46Å; D844-L847 PolarHBondContact O-N 2.93Å; A845-L847 VanDerWaalsContact C-N 3.31Å; A845-L847 PolarHBondContact O-N 3.35Å; L847-T849 VanDerWaalsContact C-N 3.29Å; L847-T849 PolarHBondContact O-N 3.37Å; L847-R850 CarbonylContact O-C 3.47Å; L847-R850 PolarHBondContact O-N 3.43Å; L847-R850 VanDerWaalsContact O-N 3.11Å; L847-V851 WeakPolarHBondContact O-CG2 3.41Å; L847-V851 PolarHBondContact O-N 2.88Å
848	Q	89.1	Confident	84.9	Confident	5 Å²	5	28 Å²	28	2%	0.023	15%	0.154	C	C	.	.	H	α-helix	trans	-56.4	-45.4	171	-63.2	168.1	4.2	0	0	111	Y751 L828 D844 R850 V851 A852	Y751-Q848 HydrophobicContact CE2-CG 4.29Å; Y751-Q848 PolarHBondContact OH-NE2 3.28Å; L828-Q848 HydrophobicContact CB-CB 4.42Å; L828-Q848 HydrophobicContact CB-CG 4.07Å; L828-Q848 HydrophobicContact CD1-CB 4.3Å; D844-Q848 HydrophobicContact CB-CG 4.42Å; D844-Q848 WeakPolarHBondContact O-CG 3.41Å; D844-Q848 PolarHBondContact O-N 2.88Å; Q848-R850 VanDerWaalsContact C-N 3.35Å; Q848-R850 PolarHBondContact O-N 3.39Å; Q848-V851 PolarHBondContact O-N 3.07Å; Q848-A852 PolarHBondContact O-N 2.89Å
849	T	91.2	Very high	86.6	Confident	28 Å²	28	24 Å²	24	17%	0.172	13%	0.13	C	C	.	.	H	α-helix	trans	-56.1	-46.9	172.7	-68.5	0	0	0	0	111.7	I821 A845 P846 L847 A852 E853	I821-T849 HydrophobicContact CB-CG2 4.29Å; I821-T849 HydrophobicContact CG1-CG2 3.56Å; A845-T849 WeakPolarHBondContact O-CB 3.4Å; A845-T849 PolarHBondContact O-N 3.43Å; A845-T849 PolarHBondContact O-OG1 2.98Å; P846-T849 WeakPolarHBondContact O-CB 3.38Å; L847-T849 VanDerWaalsContact C-N 3.29Å; L847-T849 PolarHBondContact O-N 3.37Å; T849-A852 PolarHBondContact O-N 3.2Å; T849-E853 PolarHBondContact O-N 2.89Å
850	R	91.5	Very high	88.1	Confident	39 Å²	39	24.3 Å²	24.3	15%	0.147	13%	0.131	C	C	.	.	H	α-helix	trans	-68.8	-35.4	178.9	-177.8	57.8	168.6	-177.2	-4.9	113	A758 F761 S763 P846 L847 Q848 E853 L854	A758-R850 HydrophobicContact CB-CB 3.92Å; A758-R850 HydrophobicContact CB-CG 3.85Å; F761-R850 VanDerWaalsContact O-CZ 3.3Å; F761-R850 PolarHBondContact O-NE 3.16Å; F761-R850 PolarHBondContact O-NH2 2.85Å; S763-R850 VanDerWaalsContact OG-CZ 3.27Å; S763-R850 PolarHBondContact OG-NH1 2.7Å; S763-R850 VanDerWaalsContact OG-NH1 3.13Å; P846-R850 WeakPolarHBondContact O-CB 3.44Å; P846-R850 PolarHBondContact O-N 3.1Å; P846-R850 VanDerWaalsContact O-N 3.07Å; L847-R850 CarbonylContact O-C 3.47Å; L847-R850 PolarHBondContact O-N 3.43Å; L847-R850 VanDerWaalsContact O-N 3.11Å; Q848-R850 VanDerWaalsContact C-N 3.35Å; Q848-R850 PolarHBondContact O-N 3.39Å; R850-E853 WeakPolarHBondContact CD-OE2 3.49Å; R850-E853 IonicContact CZ-OE2 3.88Å; R850-E853 IonicContact NE-OE2 2.85Å; R850-E853 VanDerWaalsContact NH1-CD 3.25Å; R850-E853 IonicContact NH1-OE1 2.7Å; R850-E853 PolarHBondContact NH1-OE1 2.92Å; R850-E853 IonicContact NH1-OE2 3.27Å; R850-E853 PolarHBondContact NH1-OE2 3.41Å; R850-E853 PolarHBondContact O-N 3.46Å; R850-L854 HydrophobicContact CG-CD1 4.07Å; R850-L854 HydrophobicContact CG-CG 4.44Å; R850-L854 WeakPolarHBondContact O-CG 3.44Å; R850-L854 PolarHBondContact O-N 3.28Å
851	V	94.6	Very high	89.1	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-59.3	-51.1	171	171.8	0	0	0	0	109.9	L746 F754 A758 L828 L847 Q848 E853 L854 L855	L746-V851 HydrophobicContact CD1-CG1 4.08Å; F754-V851 HydrophobicContact CB-CG1 3.97Å; F754-V851 HydrophobicContact CB-CG2 4.08Å; F754-V851 HydrophobicContact CD1-CG1 4.07Å; F754-V851 HydrophobicContact CG-CG1 4.28Å; F754-V851 VanDerWaalsContact O-CG2 3.23Å; F754-V851 WeakPolarHBondContact O-CG2 3.45Å; A758-V851 HydrophobicContact CB-CG2 3.79Å; L828-V851 HydrophobicContact CD1-CB 4.03Å; L828-V851 HydrophobicContact CD1-CG1 3.89Å; L828-V851 HydrophobicContact CD2-CG1 4.27Å; L828-V851 HydrophobicContact CD2-CG2 4.5Å; L847-V851 WeakPolarHBondContact O-CG2 3.41Å; L847-V851 PolarHBondContact O-N 2.88Å; Q848-V851 PolarHBondContact O-N 3.07Å; V851-E853 PolarHBondContact O-N 3.19Å; V851-L854 PolarHBondContact O-N 3.2Å; V851-L855 HydrophobicContact CG1-CD1 3.74Å; V851-L855 HydrophobicContact CG1-CG 4.31Å; V851-L855 WeakPolarHBondContact O-CB 3.5Å; V851-L855 WeakPolarHBondContact O-CG 3.34Å; V851-L855 PolarHBondContact O-N 2.67Å
852	A	95.7	Very high	90.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.3	-43.8	179.1	0	0	0	0	0	111.9	L827 Q848 T849 L854 L855 I856	L827-A852 HydrophobicContact CD1-CB 4.14Å; Q848-A852 PolarHBondContact O-N 2.89Å; T849-A852 PolarHBondContact O-N 3.2Å; A852-L854 PolarHBondContact O-N 2.66Å; A852-L855 PolarHBondContact O-N 3.02Å; A852-I856 WeakPolarHBondContact O-CB 3.22Å; A852-I856 WeakPolarHBondContact O-CD1 3.44Å; A852-I856 WeakPolarHBondContact O-CG1 3.41Å; A852-I856 PolarHBondContact O-N 3.17Å
853	E	94.9	Very high	91.4	Very high	16 Å²	16	19.7 Å²	19.7	8%	0.075	10%	0.104	C	C	.	.	H	α-helix	trans	-56.3	-47.6	174	177.6	-174.1	-157.3	0	0	112.4	T817 T849 R850 V851 I856 K857	T817-E853 WeakPolarHBondContact CB-OE1 3.4Å; T817-E853 WeakPolarHBondContact CG2-OE1 3.34Å; T817-E853 PolarHBondContact OG1-OE1 3Å; T849-E853 PolarHBondContact O-N 2.89Å; R850-E853 WeakPolarHBondContact CD-OE2 3.49Å; R850-E853 IonicContact CZ-OE2 3.88Å; R850-E853 IonicContact NE-OE2 2.85Å; R850-E853 VanDerWaalsContact NH1-CD 3.25Å; R850-E853 IonicContact NH1-OE1 2.7Å; R850-E853 PolarHBondContact NH1-OE1 2.92Å; R850-E853 IonicContact NH1-OE2 3.27Å; R850-E853 PolarHBondContact NH1-OE2 3.41Å; R850-E853 PolarHBondContact O-N 3.46Å; V851-E853 PolarHBondContact O-N 3.19Å; E853-I856 PolarHBondContact O-N 3.35Å; E853-K857 VanDerWaalsContact O-CB 3.27Å; E853-K857 WeakPolarHBondContact O-CB 3.38Å; E853-K857 PolarHBondContact O-N 3.31Å
854	L	94.3	Very high	92.4	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-69.7	-41.3	-177.2	-65.5	169.2	0	0	0	112.1	I776 L780 R850 V851 A852 I856 K857 Y858	I776-L854 HydrophobicContact CD1-CD2 4.41Å; I776-L854 HydrophobicContact CG2-CB 4.46Å; I776-L854 HydrophobicContact CG2-CD1 4.5Å; I776-L854 HydrophobicContact CG2-CD2 4.25Å; L780-L854 HydrophobicContact CD1-CB 3.71Å; R850-L854 HydrophobicContact CG-CD1 4.07Å; R850-L854 HydrophobicContact CG-CG 4.44Å; R850-L854 WeakPolarHBondContact O-CG 3.44Å; R850-L854 PolarHBondContact O-N 3.28Å; V851-L854 PolarHBondContact O-N 3.2Å; A852-L854 PolarHBondContact O-N 2.66Å; L854-I856 VanDerWaalsContact C-N 3.31Å; L854-I856 PolarHBondContact O-N 3.15Å; L854-K857 PolarHBondContact O-N 3.48Å; L854-Y858 HydrophobicContact CD2-CE2 3.85Å; L854-Y858 WeakPolarHBondContact O-CD2 3.38Å; L854-Y858 PolarHBondContact O-N 2.94Å; L854-Y858 VanDerWaalsContact O-N 3.14Å
855	L	97	Very high	92.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.7	-37.5	173.2	-72.7	172.7	0	0	0	112.2	L746 F754 L780 V851 A852 A859 I862	L746-L855 HydrophobicContact CD1-CD1 3.67Å; L746-L855 HydrophobicContact CD2-CD1 3.99Å; L746-L855 HydrophobicContact CG-CD1 4.5Å; F754-L855 HydrophobicContact CE1-CD2 4.47Å; L780-L855 HydrophobicContact CB-CD2 4.25Å; L780-L855 HydrophobicContact CD1-CD2 4.27Å; L780-L855 HydrophobicContact CD2-CD2 4.08Å; L780-L855 HydrophobicContact CD2-CG 4.44Å; L780-L855 HydrophobicContact CG-CD2 4.44Å; V851-L855 HydrophobicContact CG1-CD1 3.74Å; V851-L855 HydrophobicContact CG1-CG 4.31Å; V851-L855 WeakPolarHBondContact O-CB 3.5Å; V851-L855 WeakPolarHBondContact O-CG 3.34Å; V851-L855 PolarHBondContact O-N 2.67Å; A852-L855 PolarHBondContact O-N 3.02Å; L855-A859 WeakPolarHBondContact O-CA 3.35Å; L855-A859 PolarHBondContact O-N 3.21Å; L855-I862 HydrophobicContact CD2-CD1 4.23Å
856	I	96.8	Very high	93.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-71	-50.4	174.7	-67.5	164.5	0	0	0	110.1	L802 N803 A816 L819 A852 E853 L854 Y858 A859	L802-I856 HydrophobicContact CB-CD1 4.07Å; L802-I856 HydrophobicContact CB-CG1 3.87Å; L802-I856 HydrophobicContact CB-CG2 3.95Å; L802-I856 HydrophobicContact CD1-CD1 3.74Å; L802-I856 HydrophobicContact CD1-CG1 4.01Å; N803-I856 WeakPolarHBondContact CB-O 3.38Å; N803-I856 PolarHBondContact ND2-O 3.44Å; A816-I856 HydrophobicContact CB-CG2 3.95Å; L819-I856 HydrophobicContact CB-CD1 3.84Å; A852-I856 WeakPolarHBondContact O-CB 3.22Å; A852-I856 WeakPolarHBondContact O-CD1 3.44Å; A852-I856 WeakPolarHBondContact O-CG1 3.41Å; A852-I856 PolarHBondContact O-N 3.17Å; E853-I856 PolarHBondContact O-N 3.35Å; L854-I856 VanDerWaalsContact C-N 3.31Å; L854-I856 PolarHBondContact O-N 3.15Å; I856-Y858 VanDerWaalsContact C-N 3.33Å; I856-Y858 PolarHBondContact O-N 3.11Å; I856-A859 PolarHBondContact O-N 3.45Å
857	K	94	Very high	93.8	Very high	63 Å²	63	29.2 Å²	29.2	27%	0.274	14%	0.14	S	C	.	.	H	α-helix	trans	-59.5	-40.1	-173.3	-175.5	179.2	177.2	-166.1	0	112.8	N803 A816 E853 L854	N803-K857 PolarHBondContact ND2-O 3.24Å; N803-K857 VanDerWaalsContact ND2-O 3.08Å; A816-K857 HydrophobicContact CB-CB 4.28Å; E853-K857 VanDerWaalsContact O-CB 3.27Å; E853-K857 WeakPolarHBondContact O-CB 3.38Å; E853-K857 PolarHBondContact O-N 3.31Å; L854-K857 PolarHBondContact O-N 3.48Å
858	Y	94.5	Very high	93.9	Very high	20 Å²	20	31.6 Å²	31.6	8%	0.078	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	26.7	-175.9	-52.3	-63.3	0	0	0	113.4	C773 I776 V777 L854 I856 Y860 E861 I862	C773-Y858 HydrophobicContact CB-CE1 4.46Å; C773-Y858 PolarHBondContact SG-OH 3.38Å; C773-Y858 VanDerWaalsContact SG-OH 3.34Å; I776-Y858 HydrophobicContact CD1-CE2 4.43Å; I776-Y858 HydrophobicContact CG2-CD2 3.82Å; I776-Y858 HydrophobicContact CG2-CE2 3.78Å; V777-Y858 HydrophobicContact CG2-CD1 4.4Å; V777-Y858 HydrophobicContact CG2-CG 4.03Å; L854-Y858 HydrophobicContact CD2-CE2 3.85Å; L854-Y858 WeakPolarHBondContact O-CD2 3.38Å; L854-Y858 PolarHBondContact O-N 2.94Å; L854-Y858 VanDerWaalsContact O-N 3.14Å; I856-Y858 VanDerWaalsContact C-N 3.33Å; I856-Y858 PolarHBondContact O-N 3.11Å; Y858-Y860 PolarHBondContact O-N 3.19Å; Y858-E861 VanDerWaalsContact C-OE2 3.27Å; Y858-E861 WeakPolarHBondContact CA-OE2 3.47Å; Y858-E861 PolarHBondContact O-N 3Å; Y858-I862 WeakPolarHBondContact O-CB 3.16Å; Y858-I862 VanDerWaalsContact O-CG1 3.27Å; Y858-I862 WeakPolarHBondContact O-CG1 3.37Å; Y858-I862 PolarHBondContact O-N 3.3Å
859	A	96.7	Very high	93.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56.1	-46.3	-172.4	0	0	0	0	0	113.7	C799 L800 N803 L855 I856 E861 I862 F863	C799-A859 HydrophobicContact CB-CB 3.97Å; C799-A859 WeakPolarHBondContact O-CB 3.42Å; L800-A859 HydrophobicContact CD2-CB 4.06Å; N803-A859 HydrophobicContact CB-CB 4.06Å; L855-A859 WeakPolarHBondContact O-CA 3.35Å; L855-A859 PolarHBondContact O-N 3.21Å; I856-A859 PolarHBondContact O-N 3.45Å; A859-E861 VanDerWaalsContact C-N 3.35Å; A859-I862 PolarHBondContact O-N 3.46Å; A859-F863 HydrophobicContact CB-CD2 4.47Å; A859-F863 WeakPolarHBondContact O-CB 3.27Å; A859-F863 WeakPolarHBondContact O-CD2 3.14Å; A859-F863 PolarHBondContact O-N 3.06Å
860	Y	96	Very high	93.8	Very high	8 Å²	8	37.1 Å²	37.1	3%	0.031	18%	0.18	C	C	.	.	H	α-helix	trans	-66.2	-40.6	179.2	-68.4	-90.8	0	0	0	111.3	L800 N803 R804 W807 Y858 I862 E864 E865 V867 D870	L800-Y860 HydrophobicContact CD2-CD1 3.68Å; L800-Y860 HydrophobicContact CD2-CD2 4.03Å; L800-Y860 HydrophobicContact CD2-CE1 3.75Å; L800-Y860 HydrophobicContact CD2-CE2 4.08Å; L800-Y860 HydrophobicContact CD2-CG 3.83Å; N803-Y860 HydrophobicContact CB-CD2 4.46Å; N803-Y860 HydrophobicContact CB-CE2 4.04Å; N803-Y860 WeakPolarHBondContact OD1-CE2 3.46Å; R804-Y860 WeakPolarHBondContact CG-OH 3.27Å; R804-Y860 PolarHBondContact NE-OH 3.44Å; W807-Y860 AromaticContact CH2-CE2 3.89Å; W807-Y860 HydrophobicContact CH2-CE2 3.89Å; W807-Y860 AromaticContact CH2-CZ 3.68Å; W807-Y860 WeakPolarHBondContact CH2-OH 3.3Å; W807-Y860 HydrophobicContact CZ2-CD2 4.27Å; W807-Y860 AromaticContact CZ2-CE2 3.4Å; W807-Y860 HydrophobicContact CZ2-CE2 3.4Å; W807-Y860 AromaticContact CZ2-CZ 3.72Å; Y858-Y860 PolarHBondContact O-N 3.19Å; Y860-I862 VanDerWaalsContact C-N 3.34Å; Y860-I862 PolarHBondContact O-N 3.4Å; Y860-E864 WeakPolarHBondContact O-CA 3.36Å; Y860-E864 PolarHBondContact O-N 3.21Å; Y860-E865 HydrophobicContact CD1-CB 3.91Å; Y860-E865 PolarHBondContact O-N 3.08Å; Y860-V867 HydrophobicContact CD1-CB 3.82Å; Y860-V867 HydrophobicContact CD1-CG2 4.06Å; Y860-V867 HydrophobicContact CD2-CG2 4.03Å; Y860-V867 HydrophobicContact CE1-CB 4.13Å; Y860-V867 HydrophobicContact CE1-CG2 4.07Å; Y860-V867 HydrophobicContact CE2-CG2 4.03Å; Y860-V867 HydrophobicContact CG-CB 4.03Å; Y860-V867 HydrophobicContact CG-CG2 4.05Å; Y860-D870 PolarHBondContact OH-OD2 2.99Å; Y860-D870 VanDerWaalsContact OH-OD2 3.06Å
861	E	94.1	Very high	93.6	Very high	70 Å²	70	37.1 Å²	37.1	33%	0.327	18%	0.183	S	C	.	.	H	α-helix	trans	-69	-28	178.8	-60.3	87.7	165.1	0	0	113.1	V777 Y858 A859 R879	V777-E861 HydrophobicContact CG1-CB 4.23Å; V777-E861 WeakPolarHBondContact CG1-O 3.26Å; V777-E861 HydrophobicContact CG2-CB 4.01Å; Y858-E861 VanDerWaalsContact C-OE2 3.27Å; Y858-E861 WeakPolarHBondContact CA-OE2 3.47Å; Y858-E861 PolarHBondContact O-N 3Å; A859-E861 VanDerWaalsContact C-N 3.35Å; E861-R879 IonicContact OE1-CZ 2.78Å; E861-R879 IonicContact OE1-NH1 2.95Å; E861-R879 PolarHBondContact OE1-NH1 3.48Å; E861-R879 IonicContact OE1-NH2 2.68Å; E861-R879 PolarHBondContact OE1-NH2 3.36Å; E861-R879 IonicContact OE2-NH2 3.48Å
862	I	95	Very high	93.3	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-84.3	-43.1	177.1	-70.9	164.7	0	0	0	112	V777 L780 K781 L855 Y858 A859 Y860	V777-I862 HydrophobicContact CG1-CG1 4.31Å; L780-I862 HydrophobicContact CB-CD1 3.71Å; L780-I862 HydrophobicContact CB-CG1 4.2Å; L780-I862 HydrophobicContact CD1-CD1 3.79Å; L780-I862 HydrophobicContact CG-CD1 4.41Å; K781-I862 HydrophobicContact CB-CG2 4.44Å; L855-I862 HydrophobicContact CD2-CD1 4.23Å; Y858-I862 WeakPolarHBondContact O-CB 3.16Å; Y858-I862 VanDerWaalsContact O-CG1 3.27Å; Y858-I862 WeakPolarHBondContact O-CG1 3.37Å; Y858-I862 PolarHBondContact O-N 3.3Å; A859-I862 PolarHBondContact O-N 3.46Å; Y860-I862 VanDerWaalsContact C-N 3.34Å; Y860-I862 PolarHBondContact O-N 3.4Å
863	F	96.1	Very high	93.1	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-93.9	4.7	-174.7	-65.3	-64.9	0	0	0	114.5	C784 Y792 L795 K796 C799 A859 E865	C784-F863 HydrophobicContact CB-CE1 4.24Å; Y792-F863 HydrophobicContact CD2-CE1 4.28Å; Y792-F863 HydrophobicContact CE1-CD1 4.36Å; Y792-F863 AromaticContact CE2-CD1 3.99Å; Y792-F863 HydrophobicContact CE2-CD1 3.99Å; Y792-F863 AromaticContact CE2-CE1 3.95Å; Y792-F863 HydrophobicContact CE2-CE1 3.95Å; Y792-F863 AromaticContact CZ-CD1 3.8Å; L795-F863 HydrophobicContact CD2-CE1 4.44Å; L795-F863 HydrophobicContact CD2-CZ 3.83Å; L795-F863 HydrophobicContact CG-CZ 3.92Å; K796-F863 HydrophobicContact CB-CD1 3.72Å; K796-F863 HydrophobicContact CB-CD2 4.36Å; K796-F863 HydrophobicContact CB-CE1 3.93Å; K796-F863 HydrophobicContact CB-CG 3.97Å; K796-F863 HydrophobicContact CB-CZ 4.38Å; K796-F863 HydrophobicContact CD-CB 3.84Å; K796-F863 HydrophobicContact CD-CD1 3.96Å; K796-F863 HydrophobicContact CD-CG 4.06Å; K796-F863 HydrophobicContact CG-CB 3.85Å; K796-F863 HydrophobicContact CG-CD1 3.86Å; K796-F863 HydrophobicContact CG-CD2 4.29Å; K796-F863 HydrophobicContact CG-CG 3.73Å; K796-F863 PolarHBondContact NZ-O 2.97Å; C799-F863 HydrophobicContact CB-CD2 4.44Å; C799-F863 HydrophobicContact CB-CE2 3.71Å; A859-F863 HydrophobicContact CB-CD2 4.47Å; A859-F863 WeakPolarHBondContact O-CB 3.27Å; A859-F863 WeakPolarHBondContact O-CD2 3.14Å; A859-F863 PolarHBondContact O-N 3.06Å; F863-E865 VanDerWaalsContact C-N 3.35Å; F863-E865 PolarHBondContact O-N 2.73Å
864	E	94.3	Very high	92.8	Very high	141 Å²	141	49.7 Å²	49.7	66%	0.659	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	41	177.5	-62.7	-177.3	143	0	0	114.1	K781 Y860	K781-E864 WeakPolarHBondContact CE-OE2 3.43Å; K781-E864 IonicContact NZ-OE1 2.74Å; K781-E864 PolarHBondContact NZ-OE1 2.82Å; K781-E864 IonicContact NZ-OE2 3.48Å; K781-E864 PolarHBondContact NZ-OE2 3.12Å; Y860-E864 WeakPolarHBondContact O-CA 3.36Å; Y860-E864 PolarHBondContact O-N 3.21Å
865	E	93.7	Very high	92.3	Very high	89 Å²	89	57.3 Å²	57.3	42%	0.416	27%	0.272	S	S	.	.			trans	-100.2	144.5	179.9	-73	-61.4	151.1	0	0	113	K796 L800 Y860 F863 V867	K796-E865 WeakPolarHBondContact CE-OE1 3.28Å; K796-E865 IonicContact NZ-OE1 2.71Å; K796-E865 PolarHBondContact NZ-OE1 3.32Å; L800-E865 HydrophobicContact CD1-CG 3.88Å; L800-E865 HydrophobicContact CD2-CB 4.23Å; L800-E865 HydrophobicContact CD2-CG 4.42Å; Y860-E865 HydrophobicContact CD1-CB 3.91Å; Y860-E865 PolarHBondContact O-N 3.08Å; F863-E865 VanDerWaalsContact C-N 3.35Å; F863-E865 PolarHBondContact O-N 2.73Å; E865-V867 PolarHBondContact O-N 3.5Å
866	D	90.8	Very high	91.3	Very high	73 Å²	73	58.4 Å²	58.4	39%	0.39	28%	0.279	S	S	.	.			trans	-77.7	109.8	175.9	171.6	31.6	0	0	0	111.5	T868 Q869	D866-T868 PolarHBondContact O-N 2.84Å; D866-T868 WeakPolarHBondContact OD1-CB 3.48Å; D866-T868 PolarHBondContact OD1-N 3.23Å; D866-T868 PolarHBondContact OD1-OG1 3.31Å; D866-Q869 PolarHBondContact OD2-NE2 3.34Å
867	V	91.9	Very high	89.5	Confident	34 Å²	34	70.1 Å²	70.1	21%	0.206	32%	0.323	C	S	.	.	H	α-helix	trans	-64.3	-20.8	178.2	75.2	0	0	0	0	113.7	W807 Y860 E865 D870 L871	W807-V867 HydrophobicContact CH2-CG2 3.61Å; W807-V867 HydrophobicContact CZ2-CG2 3.48Å; W807-V867 VanDerWaalsContact CZ2-CG2 3.48Å; Y860-V867 HydrophobicContact CD1-CB 3.82Å; Y860-V867 HydrophobicContact CD1-CG2 4.06Å; Y860-V867 HydrophobicContact CD2-CG2 4.03Å; Y860-V867 HydrophobicContact CE1-CB 4.13Å; Y860-V867 HydrophobicContact CE1-CG2 4.07Å; Y860-V867 HydrophobicContact CE2-CG2 4.03Å; Y860-V867 HydrophobicContact CG-CB 4.03Å; Y860-V867 HydrophobicContact CG-CG2 4.05Å; E865-V867 PolarHBondContact O-N 3.5Å; V867-D870 PolarHBondContact O-N 2.72Å; V867-L871 HydrophobicContact CG1-CD1 4.22Å; V867-L871 HydrophobicContact CG2-CD1 4.06Å; V867-L871 HydrophobicContact CG2-CG 4.2Å; V867-L871 WeakPolarHBondContact O-CG 3.44Å; V867-L871 PolarHBondContact O-N 2.68Å; V867-L871 VanDerWaalsContact O-N 3.1Å
868	T	88.8	Confident	87.6	Confident	72 Å²	72	71.9 Å²	71.9	44%	0.442	34%	0.343	S	S	.	.	H	α-helix	trans	-63.1	-48	-171.4	-46.4	0	0	0	0	111.7	D866 D870 L871 E872	D866-T868 PolarHBondContact O-N 2.84Å; D866-T868 WeakPolarHBondContact OD1-CB 3.48Å; D866-T868 PolarHBondContact OD1-N 3.23Å; D866-T868 PolarHBondContact OD1-OG1 3.31Å; T868-D870 VanDerWaalsContact C-N 3.29Å; T868-D870 PolarHBondContact O-N 3.27Å; T868-L871 PolarHBondContact O-N 3.04Å; T868-E872 PolarHBondContact O-N 3.29Å; T868-E872 VanDerWaalsContact O-N 3.07Å
869	Q	87.6	Confident	85.3	Confident	132 Å²	132	74.9 Å²	74.9	62%	0.617	36%	0.355	S	S	*	.	H	α-helix	trans	-63	-34.5	-177.7	-68.6	168.2	65.1	0	0	112.4	D866 R873	D866-Q869 PolarHBondContact OD2-NE2 3.34Å; Q869-R873 WeakPolarHBondContact O-CB 3.29Å; Q869-R873 PolarHBondContact O-N 3.26Å
870	D	91.5	Very high	82.9	Confident	17 Å²	17	78.8 Å²	78.8	9%	0.091	38%	0.38	C	S	.	.	H	α-helix	trans	-76.8	-35.5	177	-84.9	-38.7	0	0	0	113.4	R804 W807 Y860 V867 T868 E872 R873 L874	R804-D870 IonicContact CZ-OD1 2.7Å; R804-D870 IonicContact CZ-OD2 2.79Å; R804-D870 VanDerWaalsContact NE-CG 3.28Å; R804-D870 IonicContact NE-OD1 3.8Å; R804-D870 IonicContact NE-OD2 3.63Å; R804-D870 PolarHBondContact NE-OD2 3.43Å; R804-D870 IonicContact NH2-OD1 2.63Å; R804-D870 IonicContact NH2-OD2 3.77Å; R804-D870 PolarHBondContact NH2-OD2 3.05Å; W807-D870 HydrophobicContact CH2-CB 3.92Å; W807-D870 HydrophobicContact CZ3-CB 4.01Å; Y860-D870 PolarHBondContact OH-OD2 2.99Å; Y860-D870 VanDerWaalsContact OH-OD2 3.06Å; V867-D870 PolarHBondContact O-N 2.72Å; T868-D870 VanDerWaalsContact C-N 3.29Å; T868-D870 PolarHBondContact O-N 3.27Å; D870-E872 VanDerWaalsContact C-N 3.32Å; D870-R873 PolarHBondContact O-N 2.84Å; D870-R873 IonicContact OD1-CZ 2.83Å; D870-R873 VanDerWaalsContact OD1-CZ 3.22Å; D870-R873 IonicContact OD1-NE 2.72Å; D870-R873 PolarHBondContact OD1-NE 3.13Å; D870-R873 IonicContact OD1-NH2 2.7Å; D870-R873 PolarHBondContact OD1-NH2 3.44Å; D870-L874 VanDerWaalsContact O-CB 3.27Å; D870-L874 WeakPolarHBondContact O-CB 3.22Å; D870-L874 WeakPolarHBondContact O-CG 3.42Å; D870-L874 PolarHBondContact O-N 2.86Å
871	L	88.5	Confident	80.1	Confident	39 Å²	39	89.1 Å²	89.1	20%	0.204	42%	0.419	C	S	.	.	H	α-helix	trans	-62.7	-41.2	173	-71	168	0	0	0	111.1	W807 V867 T868 H875 V876	W807-L871 HydrophobicContact CD2-CD2 4.22Å; W807-L871 HydrophobicContact CE3-CD2 3.85Å; W807-L871 HydrophobicContact CH2-CD2 3.84Å; W807-L871 HydrophobicContact CH2-CG 3.93Å; W807-L871 HydrophobicContact CZ2-CD2 4.25Å; W807-L871 HydrophobicContact CZ3-CD2 3.64Å; W807-L871 HydrophobicContact CZ3-CG 4Å; V867-L871 HydrophobicContact CG1-CD1 4.22Å; V867-L871 HydrophobicContact CG2-CD1 4.06Å; V867-L871 HydrophobicContact CG2-CG 4.2Å; V867-L871 WeakPolarHBondContact O-CG 3.44Å; V867-L871 PolarHBondContact O-N 2.68Å; V867-L871 VanDerWaalsContact O-N 3.1Å; T868-L871 PolarHBondContact O-N 3.04Å; L871-H875 PolarHBondContact O-N 3.39Å; L871-V876 HydrophobicContact CD2-CB 3.84Å; L871-V876 HydrophobicContact CD2-CG1 3.8Å; L871-V876 PolarHBondContact O-N 3.34Å
872	E	88.2	Confident	77.5	Confident	144 Å²	144	89 Å²	89	67%	0.673	42%	0.424	S	S	*	.	H	α-helix	trans	-66.1	-52.9	173.5	-69.8	-174.9	174.9	0	0	111.7	T868 D870 L874 H875	T868-E872 PolarHBondContact O-N 3.29Å; T868-E872 VanDerWaalsContact O-N 3.07Å; D870-E872 VanDerWaalsContact C-N 3.32Å; E872-L874 VanDerWaalsContact C-N 3.28Å; E872-L874 PolarHBondContact O-N 3.14Å; E872-H875 PolarHBondContact O-N 2.79Å; E872-H875 PolarHBondContact O-ND1 3.47Å
873	R	90.5	Very high	74.6	Confident	115 Å²	115	97.1 Å²	97.1	43%	0.434	47%	0.466	S	S	.	.	H	α-helix	trans	-54.7	-42.5	179.5	-177.2	173.3	69.1	100.2	-0.8	112.4	E689 Q869 D870 H875	E689-R873 IonicContact OE2-CZ 3.83Å; E689-R873 IonicContact OE2-NH1 2.78Å; E689-R873 PolarHBondContact OE2-NH1 3.33Å; E689-R873 IonicContact OE2-NH2 2.68Å; E689-R873 PolarHBondContact OE2-NH2 3.18Å; Q869-R873 WeakPolarHBondContact O-CB 3.29Å; Q869-R873 PolarHBondContact O-N 3.26Å; D870-R873 PolarHBondContact O-N 2.84Å; D870-R873 IonicContact OD1-CZ 2.83Å; D870-R873 VanDerWaalsContact OD1-CZ 3.22Å; D870-R873 IonicContact OD1-NE 2.72Å; D870-R873 PolarHBondContact OD1-NE 3.13Å; D870-R873 IonicContact OD1-NH2 2.7Å; D870-R873 PolarHBondContact OD1-NH2 3.44Å; R873-H875 PolarHBondContact O-ND1 2.89Å
874	L	88.3	Confident	71.5	Confident	22 Å²	22	99.1 Å²	99.1	12%	0.115	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	3.5	-178.3	-57.1	-179.9	0	0	0	113.8	E689 L693 R804 W807 F808 D870 E872 V876	E689-L874 HydrophobicContact CB-CD2 4.47Å; L693-L874 HydrophobicContact CD1-CD1 4Å; L693-L874 HydrophobicContact CD1-CD2 3.94Å; L693-L874 HydrophobicContact CD1-CG 4.48Å; R804-L874 HydrophobicContact CB-CD1 3.77Å; R804-L874 HydrophobicContact CG-CD1 3.79Å; W807-L874 HydrophobicContact CE3-CD1 4.36Å; W807-L874 HydrophobicContact CZ3-CD1 4.26Å; F808-L874 HydrophobicContact CE2-CB 4.33Å; F808-L874 HydrophobicContact CE2-CD1 4.47Å; F808-L874 HydrophobicContact CZ-CB 4.2Å; D870-L874 VanDerWaalsContact O-CB 3.27Å; D870-L874 WeakPolarHBondContact O-CB 3.22Å; D870-L874 WeakPolarHBondContact O-CG 3.42Å; D870-L874 PolarHBondContact O-N 2.86Å; E872-L874 VanDerWaalsContact C-N 3.28Å; E872-L874 PolarHBondContact O-N 3.14Å; L874-V876 HydrophobicContact CB-CG2 4.07Å; L874-V876 PolarHBondContact O-N 3.45Å
875	H	84.1	Confident	68.5	Low	161 Å²	161	96.1 Å²	96.1	75%	0.745	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	28.9	176.1	-58.6	60.6	0	0	0	114.4	L871 E872 R873 R877	L871-H875 PolarHBondContact O-N 3.39Å; E872-H875 PolarHBondContact O-N 2.79Å; E872-H875 PolarHBondContact O-ND1 3.47Å; R873-H875 PolarHBondContact O-ND1 2.89Å; H875-R877 PolarHBondContact O-N 2.89Å
876	V	75.7	Confident	65.5	Low	22 Å²	22	97.2 Å²	97.2	13%	0.133	52%	0.518	C	S	.	.			trans	-79	107.1	-175.6	174.8	0	0	0	0	110.1	W807 F808 L871 L874 S878	W807-V876 HydrophobicContact CB-CG1 4.32Å; W807-V876 HydrophobicContact CB-CG2 4.38Å; W807-V876 HydrophobicContact CE3-CB 4.45Å; W807-V876 HydrophobicContact CE3-CG2 3.99Å; F808-V876 HydrophobicContact CE1-CG2 4.18Å; F808-V876 HydrophobicContact CE2-CG2 3.69Å; F808-V876 HydrophobicContact CZ-CG2 3.43Å; F808-V876 VanDerWaalsContact CZ-CG2 3.43Å; L871-V876 HydrophobicContact CD2-CB 3.84Å; L871-V876 HydrophobicContact CD2-CG1 3.8Å; L871-V876 PolarHBondContact O-N 3.34Å; L874-V876 HydrophobicContact CB-CG2 4.07Å; L874-V876 PolarHBondContact O-N 3.45Å; V876-S878 VanDerWaalsContact C-N 3.28Å; V876-S878 PolarHBondContact O-N 2.95Å
877	R	58.4	Low	62.9	Low	247 Å²	247	101.5 Å²	101.5	93%	0.932	54%	0.541	S	S	*	.	S	Bend	trans	-69.1	-18.5	-169.8	-67.6	-176.4	174.6	-175.7	-3	115.5	H875	H875-R877 PolarHBondContact O-N 2.89Å
878	S	54.3	Low	60	Low	100 Å²	100	107.5 Å²	107.5	70%	0.699	57%	0.572	S	S	*	*			trans	-159.1	133.2	172.9	-76.1	0	0	0	0	110.2	V876	V876-S878 VanDerWaalsContact C-N 3.28Å; V876-S878 PolarHBondContact O-N 2.95Å
879	R	47.2	Very low	57.4	Low	84 Å²	84	107.7 Å²	107.7	32%	0.317	59%	0.588	S	S	.	*			trans	-63.6	137.8	163.1	-169.8	-172.3	-174.5	-179.6	5.1	108.5	E861 R881	E861-R879 IonicContact OE1-CZ 2.78Å; E861-R879 IonicContact OE1-NH1 2.95Å; E861-R879 PolarHBondContact OE1-NH1 3.48Å; E861-R879 IonicContact OE1-NH2 2.68Å; E861-R879 PolarHBondContact OE1-NH2 3.36Å; E861-R879 IonicContact OE2-NH2 3.48Å; R879-R881 PolarHBondContact O-N 3Å
880	P	46.4	Very low	54.8	Low	82 Å²	82	105 Å²	105	53%	0.532	60%	0.596	S	S	.	*			trans	-56.2	111.4	161.9	-22.1	33.3	0	0	0	108.8
881	R	37.5	Very low	51.8	Low	224 Å²	224	116.1 Å²	116.1	85%	0.845	64%	0.637	S	S	*	*			trans	-71.9	137.8	-179.7	-73.3	-170.2	175.8	-155.1	-0.1	109.8	R879	R879-R881 PolarHBondContact O-N 3Å
882	P	39.1	Very low	49.2	Very low	69 Å²	69	125.9 Å²	125.9	45%	0.448	67%	0.671	S	S	.	*			trans	-52.1	139.9	156.5	-22.3	33.8	0	0	0	109.6	G884	P882-G884 PolarHBondContact O-N 3.45Å
883	I	33.2	Very low	46.4	Very low	171 Å²	171	127.9 Å²	127.9	88%	0.877	68%	0.68	S	S	*	*	S	Bend	trans	-85.5	65	-167.2	-52.2	177.9	0	0	0	109.8
884	G	32.4	Very low	43.6	Very low	44 Å²	44	129.4 Å²	129.4	45%	0.454	70%	0.702	S	S	.	*			trans	-136.8	97.4	179	0	0	0	0	0	111.2	P882	P882-G884 PolarHBondContact O-N 3.45Å
885	G	31.3	Very low	41	Very low	78 Å²	78	139.5 Å²	139.5	80%	0.804	74%	0.739	S	S	*	*			trans	179.9	60.7	-175.7	0	0	0	0	0	113.3	D887	G885-D887 PolarHBondContact O-N 2.94Å
886	A	30.4	Very low	38.3	Very low	112 Å²	112	136.9 Å²	136.9	93%	0.926	74%	0.739	S	S	*	*			trans	-75.1	116.5	170.7	0	0	0	0	0	109.9
887	D	34.8	Very low	36.3	Very low	163 Å²	163	144.2 Å²	144.2	87%	0.872	77%	0.773	S	S	*	*			trans	-124.5	157.1	164.8	-164.2	10.8	0	0	0	109.9	G885	G885-D887 PolarHBondContact O-N 2.94Å
888	N	32.5	Very low	35.1	Very low	160 Å²	160	138.6 Å²	138.6	86%	0.856	76%	0.762	S	S	*	*			trans	-108.8	131	-150.7	-125.6	-36.1	0	0	0	113.9
889	G	33.7	Very low	34.2	Very low	76 Å²	76	140 Å²	140	78%	0.784	77%	0.768	S	S	*	*			trans	86.9	-171	164.8	0	0	0	0	0	116.2
890	G	32.9	Very low	33.6	Very low	76 Å²	76	142.4 Å²	142.4	78%	0.784	79%	0.792	S	S	*	*			trans	111.5	16.5	178.1	0	0	0	0	0	117.4	R892	G890-R892 PolarHBondContact O-N 3.09Å
891	R	29.1	Very low	32.8	Very low	249 Å²	249	144.6 Å²	144.6	94%	0.94	80%	0.804	S	S	*	*			trans	-49.5	101.3	174.4	-178.1	-162.9	-164.6	-174.7	8.2	112.8
892	R	34.3	Very low	32.6	Very low	244 Å²	244	141.8 Å²	141.8	92%	0.921	81%	0.806	S	S	*	*			trans	-157.3	139.8	161.4	-109.4	158.6	-161.9	-162.5	2.8	113.1	G890	G890-R892 PolarHBondContact O-N 3.09Å
893	Q	29.1	Very low	32.1	Very low	186 Å²	186	143.7 Å²	143.7	87%	0.869	82%	0.821	S	S	*	*			trans	-76.6	157.5	169.1	-57.2	151.6	-48.4	0	0	109.8
894	V	31.9	Very low	32.3	Very low	147 Å²	147	141.9 Å²	141.9	89%	0.891	82%	0.818	S	S	*	*				-160.9	157.8	129.5	131.5	0	0	0	0	111.6
895	R	32.3	Very low	32.4	Very low	235 Å²	235	147.2 Å²	147.2	89%	0.887	84%	0.836	S	S	*	*			trans	-76.1	156.9	-162.7	-62.9	161.5	173.9	163.7	-4.6	115.3
896	S	28.6	Very low	32.3	Very low	106 Å²	106	150.9 Å²	150.9	74%	0.741	83%	0.832	S	S	*	*			trans	-30.9	143.1	152	-175.1	0	0	0	0	116.3
897	M	33.6	Very low	32.4	Very low	175 Å²	175	155.5 Å²	155.5	86%	0.862	83%	0.826	S	S	*	*			trans	-154.7	166.3	143.4	-100.8	-168	80.4	0	0	110.9
898	D	33.5	Very low	32.4	Very low	130 Å²	130	155.4 Å²	155.4	70%	0.695	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-83.7	159.2	-154.4	-54.9	-93.3	0	0	0	117
899	P	34.5	Very low	32.1	Very low	128 Å²	128	155.8 Å²	155.8	83%	0.831	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-81.2	137.7	178.2	32.6	-34.9	0	0	0	113.2
900	V	34.5	Very low	32.1	Very low	135 Å²	135	158.7 Å²	158.7	82%	0.818	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-102.2	128.6	173.6	176.6	0	0	0	0	110.5
901	T	29.7	Very low	31.9	Very low	129 Å²	129	161.9 Å²	161.9	79%	0.791	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-82.4	145.5	171	48.1	0	0	0	0	111.4
902	N	33.7	Very low	32.1	Very low	164 Å²	164	158 Å²	158	88%	0.877	82%	0.819	S	S	*	*			trans	-148.5	142.7	156.6	-101.5	-36.8	0	0	0	110.1
903	S	28.1	Very low	31.9	Very low	110 Å²	110	150.7 Å²	150.7	77%	0.769	81%	0.811	S	S	*	*			trans	-117.8	138.2	-174.2	53.1	0	0	0	0	110.9
904	V	37	Very low	32	Very low	133 Å²	133	148.1 Å²	148.1	81%	0.806	80%	0.803	S	S	*	*			trans	-138	107.2	165.7	-177.5	0	0	0	0	110.2
905	D	34.6	Very low	32	Very low	155 Å²	155	149.3 Å²	149.3	83%	0.829	80%	0.797	S	S	*	*			trans	51.6	150.1	147	-59.5	-37.9	0	0	0	124.7
906	E	29.7	Very low	32	Very low	155 Å²	155	143.3 Å²	143.3	72%	0.724	79%	0.791	S	S	*	*			trans	-96.2	161.9	-179.3	-49.3	165.5	121.6	0	0	112.3
907	R	33.5	Very low	32.2	Very low	210 Å²	210	149.5 Å²	149.5	79%	0.792	80%	0.798	S	S	*	*				142.6	106.9	128.4	-78.8	156	-163.4	-165.5	6.3	114.2
908	N	32.8	Very low	32	Very low	161 Å²	161	151.3 Å²	151.3	86%	0.861	80%	0.801	S	S	*	*				-177.5	142.1	101.4	-94.7	-21.8	0	0	0	111.1
909	E	27.8	Very low	32	Very low	168 Å²	168	151 Å²	151	79%	0.785	81%	0.808	S	S	*	*			trans	-87.4	165.1	169.3	-58.1	-178.2	102.9	0	0	111.2
910	V	33.6	Very low	31.8	Very low	137 Å²	137	149.4 Å²	149.4	83%	0.83	81%	0.807	S	S	*	*				-168.6	134.9	114	145.8	0	0	0	0	109.1
911	N	27.8	Very low	31.7	Very low	142 Å²	142	149.6 Å²	149.6	76%	0.759	81%	0.808	S	S	*	*			trans	-90.8	134.6	175.6	-73.2	-81.4	0	0	0	111.7
912	I	33.4	Very low	32	Very low	167 Å²	167	149.6 Å²	149.6	86%	0.856	81%	0.81	S	S	*	*			trans	-141.9	142.9	145.8	-60.5	-173.3	0	0	0	108.2
913	A	29.4	Very low	31.7	Very low	92 Å²	92	148.5 Å²	148.5	76%	0.76	81%	0.805	S	S	*	*			trans	-138.1	147.6	177.9	0	0	0	0	0	111.9
914	D	31.8	Very low	31.8	Very low	132 Å²	132	149.8 Å²	149.8	71%	0.706	80%	0.802	S	S	*	*			trans	-153.4	-178.1	148.1	-141	-31.4	0	0	0	113.1
915	K	32	Very low	31.6	Very low	172 Å²	172	150.1 Å²	150.1	75%	0.748	80%	0.798	S	S	*	*			trans	-102.6	177.8	-149.9	-58.8	148.7	-160.3	94.6	0	115.2
916	S	32.6	Very low	31.2	Very low	109 Å²	109	153.4 Å²	153.4	76%	0.762	80%	0.799	S	S	*	*			trans	82.6	138.8	153.9	-102.7	0	0	0	0	117.5
917	R	32.1	Very low	31.2	Very low	236 Å²	236	154.6 Å²	154.6	89%	0.891	81%	0.805	S	S	*	*			cis	-135.1	168.3	3.3	-69.9	-173.8	173.4	-178.8	-2.3	111.9
918	K	30.5	Very low	31.2	Very low	213 Å²	213	149.2 Å²	149.2	93%	0.926	80%	0.799	S	S	*	*			trans	-113	140	176.9	-65.6	179.7	176.7	-178.1	0	112.7
919	S	32.3	Very low	31.3	Very low	122 Å²	122	151.2 Å²	151.2	85%	0.853	80%	0.801	S	S	*	*			trans	-178.9	145.5	145.9	53.5	0	0	0	0	111.9
920	A	31.8	Very low	31.6	Very low	96 Å²	96	150.1 Å²	150.1	79%	0.793	80%	0.797	S	S	*	*			cis	-170.1	107.1	-25.1	0	0	0	0	0	109.9
921	T	31.3	Very low	31.9	Very low	138 Å²	138	149.2 Å²	149.2	85%	0.847	79%	0.792	S	S	*	*			trans	-144.2	144.3	160.1	37.6	0	0	0	0	108.9
922	P	35.1	Very low	32.1	Very low	130 Å²	130	145.1 Å²	145.1	84%	0.844	78%	0.783	S	S	*	*			trans	-86.7	143.8	-159.8	-11.9	30.6	0	0	0	115.1
923	D	27.8	Very low	32.2	Very low	141 Å²	141	146 Å²	146	75%	0.754	78%	0.776	S	S	*	*			trans	-57.3	137.6	174.4	-75.2	-85.8	0	0	0	114.3
924	L	30.9	Very low	32.4	Very low	136 Å²	136	144.5 Å²	144.5	71%	0.712	76%	0.764	S	S	*	*			trans	-137.7	142.5	143.4	-74.1	-179	0	0	0	109.7
925	L	31.9	Very low	32.6	Very low	140 Å²	140	145.2 Å²	145.2	73%	0.733	76%	0.76	S	S	*	*			trans	76.1	38.2	170.4	-49.4	-176.1	0	0	0	118.7	E927	L925-E927 PolarHBondContact O-N 3.47Å
926	R	27.8	Very low	32.8	Very low	225 Å²	225	140.4 Å²	140.4	85%	0.849	75%	0.748	S	S	*	*			trans	-83.4	80.4	147.5	-179.5	-168.9	155.7	162.5	-4.4	110
927	E	28.7	Very low	33	Very low	179 Å²	179	139.6 Å²	139.6	84%	0.836	74%	0.735	S	S	*	*			trans	-172.9	93.4	160.1	-112.6	158.7	-147.7	0	0	112.5	L925	L925-E927 PolarHBondContact O-N 3.47Å
928	S	33.5	Very low	33.4	Very low	97 Å²	97	133 Å²	133	68%	0.678	71%	0.714	S	S	*	*			trans	-135.1	11.1	177.9	-42.1	0	0	0	0	113.5
929	K	35.3	Very low	33.8	Very low	204 Å²	204	127 Å²	127	89%	0.887	69%	0.693	S	S	*	*	S	Bend	trans	-98.9	7.3	-173.4	-71.2	-166.2	172.9	-171.4	0	115.2
930	M	34.4	Very low	34	Very low	144 Å²	144	124.3 Å²	124.3	71%	0.709	67%	0.673	S	S	*	*	S	Bend	trans	-93.5	-30.6	178.4	-70	-60.5	-164.2	0	0	114	G932 R933	M930-G932 VanDerWaalsContact C-N 3.29Å; M930-G932 PolarHBondContact O-N 3.18Å; M930-R933 WeakPolarHBondContact O-CB 3.32Å; M930-R933 PolarHBondContact O-N 3.46Å
931	T	38.7	Very low	34.2	Very low	118 Å²	118	124.1 Å²	124.1	72%	0.724	66%	0.658	S	S	*	*	H	α-helix	trans	-61.9	-30.6	-170.8	47.6	0	0	0	0	114.3	R933	T931-R933 VanDerWaalsContact C-N 3.31Å; T931-R933 PolarHBondContact O-N 3.33Å
932	G	33	Very low	34.4	Very low	56 Å²	56	121.4 Å²	121.4	58%	0.577	65%	0.65	S	S	*	*	H	α-helix	trans	-74.4	-15.5	174.2	0	0	0	0	0	114.8	M930	M930-G932 VanDerWaalsContact C-N 3.29Å; M930-G932 PolarHBondContact O-N 3.18Å
933	R	34.3	Very low	34.5	Very low	186 Å²	186	125 Å²	125	70%	0.702	65%	0.647	S	S	*	*	H	α-helix	trans	-89.1	-31.4	-171.2	-141.1	174	-165.7	171.2	3.2	113.4	M930 T931	M930-R933 WeakPolarHBondContact O-CB 3.32Å; M930-R933 PolarHBondContact O-N 3.46Å; T931-R933 VanDerWaalsContact C-N 3.31Å; T931-R933 PolarHBondContact O-N 3.33Å
934	A	34.4	Very low	35	Very low	61 Å²	61	121.3 Å²	121.3	50%	0.504	63%	0.63	S	S	.	*	H	α-helix	trans	-67.6	-48.1	174	0	0	0	0	0	111.9	S936 L937 Q938	A934-S936 VanDerWaalsContact C-N 3.3Å; A934-S936 PolarHBondContact O-N 3.5Å; A934-L937 WeakPolarHBondContact O-CB 3.31Å; A934-L937 PolarHBondContact O-N 2.84Å; A934-Q938 PolarHBondContact O-N 2.8Å
935	K	35.6	Very low	35	Very low	147 Å²	147	120.9 Å²	120.9	64%	0.639	63%	0.627	S	S	*	*	H	α-helix	trans	-53.6	-44.9	176.2	-103.7	-173.8	172.4	-175.1	0	112.6	L937 Q938 D939	K935-L937 PolarHBondContact O-N 2.64Å; K935-L937 VanDerWaalsContact O-N 3.07Å; K935-Q938 PolarHBondContact O-N 3.49Å; K935-D939 WeakPolarHBondContact O-CB 3.37Å; K935-D939 PolarHBondContact O-N 3.15Å
936	S	37.4	Very low	35	Very low	71 Å²	71	119.5 Å²	119.5	50%	0.497	63%	0.626	S	S	.	*	H	α-helix	trans	-59.2	-20.7	176.6	-177.9	0	0	0	0	114.6	A934 S940	A934-S936 VanDerWaalsContact C-N 3.3Å; A934-S936 PolarHBondContact O-N 3.5Å; S936-S940 PolarHBondContact O-OG 3.04Å
937	L	37.1	Very low	34.9	Very low	91 Å²	91	113.9 Å²	113.9	48%	0.476	63%	0.628	S	S	.	*	H	α-helix	trans	-90.4	-41.8	176.3	-68.9	168.9	0	0	0	111.7	A934 K935 S940 L941	A934-L937 WeakPolarHBondContact O-CB 3.31Å; A934-L937 PolarHBondContact O-N 2.84Å; K935-L937 PolarHBondContact O-N 2.64Å; K935-L937 VanDerWaalsContact O-N 3.07Å; L937-S940 WeakPolarHBondContact O-CB 3.27Å; L937-S940 PolarHBondContact O-N 3.43Å; L937-L941 PolarHBondContact O-N 3.45Å; L937-L941 VanDerWaalsContact O-N 3.16Å
938	Q	40.4	Very low	35	Very low	98 Å²	98	113.6 Å²	113.6	46%	0.458	63%	0.627	S	S	.	*	H	α-helix	trans	-61	-46.4	171.5	-80.5	171.3	-48.4	0	0	111.6	D245 A934 K935 S940 L941 A942	D245-Q938 PolarHBondContact OD2-NE2 3.07Å; A934-Q938 PolarHBondContact O-N 2.8Å; K935-Q938 PolarHBondContact O-N 3.49Å; Q938-S940 PolarHBondContact O-N 3.4Å; Q938-L941 PolarHBondContact O-N 2.86Å; Q938-A942 PolarHBondContact O-N 2.8Å
939	D	37.6	Very low	34.9	Very low	88 Å²	88	117.9 Å²	117.9	47%	0.471	64%	0.636	S	S	.	*	H	α-helix	trans	-62.4	-15.3	176	-72.5	-32.5	0	0	0	113.9	K935 R943	K935-D939 WeakPolarHBondContact O-CB 3.37Å; K935-D939 PolarHBondContact O-N 3.15Å; D939-R943 PolarHBondContact O-NE 3.1Å
940	S	37.5	Very low	34.6	Very low	64 Å²	64	119 Å²	119	45%	0.448	64%	0.636	S	S	.	*	H	α-helix	trans	-96	-16.3	175.1	-62.6	0	0	0	0	113.6	S936 L937 Q938 V944	S936-S940 PolarHBondContact O-OG 3.04Å; L937-S940 WeakPolarHBondContact O-CB 3.27Å; L937-S940 PolarHBondContact O-N 3.43Å; Q938-S940 PolarHBondContact O-N 3.4Å; S940-V944 WeakPolarHBondContact O-CG2 3.45Å
941	L	36.2	Very low	34.3	Very low	92 Å²	92	117.9 Å²	117.9	48%	0.482	64%	0.642	S	S	.	*	H	α-helix	trans	-98.8	-37.8	178.9	-88.3	158.1	0	0	0	111.8	L937 Q938 R943 V944	L937-L941 PolarHBondContact O-N 3.45Å; L937-L941 VanDerWaalsContact O-N 3.16Å; Q938-L941 PolarHBondContact O-N 2.86Å; L941-R943 PolarHBondContact O-N 2.82Å; L941-V944 WeakPolarHBondContact O-CB 3.31Å; L941-V944 PolarHBondContact O-N 3.13Å
942	A	35	Very low	33.9	Very low	82 Å²	82	120.5 Å²	120.5	68%	0.678	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	2.2	175.1	0	0	0	0	0	115	Q938	Q938-A942 PolarHBondContact O-N 2.8Å
943	R	37.3	Very low	33.8	Very low	205 Å²	205	126 Å²	126	77%	0.774	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.2	8.7	173.5	-51.4	-176.5	-153.3	-136.6	-2.7	113.2	D939 L941	D939-R943 PolarHBondContact O-NE 3.1Å; L941-R943 PolarHBondContact O-N 2.82Å
944	V	38.4	Very low	33.5	Very low	64 Å²	64	120.9 Å²	120.9	39%	0.388	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.1	-15.6	-172.8	-179.1	0	0	0	0	112.1	S940 L941	S940-V944 WeakPolarHBondContact O-CG2 3.45Å; L941-V944 WeakPolarHBondContact O-CB 3.31Å; L941-V944 PolarHBondContact O-N 3.13Å
945	I	31.1	Very low	33.3	Very low	127 Å²	127	125.5 Å²	125.5	65%	0.651	67%	0.674	S	S	*	*	S	Bend	trans	-126.1	120.5	177.8	-53.4	177.4	0	0	0	107.2
946	P	31.5	Very low	33.2	Very low	110 Å²	110	126.9 Å²	126.9	71%	0.714	69%	0.687	S	S	*	*			trans	-62.3	140.8	171.1	-21	33.8	0	0	0	111.1	E948	P946-E948 VanDerWaalsContact C-N 3.33Å; P946-E948 PolarHBondContact O-N 2.98Å
947	A	26.7	Very low	32.8	Very low	108 Å²	108	131.3 Å²	131.3	89%	0.893	71%	0.705	S	S	*	*	S	Bend	trans	-93.6	59.9	-178.5	0	0	0	0	0	111.7
948	E	29.4	Very low	32.5	Very low	173 Å²	173	130.3 Å²	130.3	81%	0.808	72%	0.717	S	S	*	*			trans	-131.4	153.6	172.1	-67.6	177.2	169	0	0	107.6	P946	P946-E948 VanDerWaalsContact C-N 3.33Å; P946-E948 PolarHBondContact O-N 2.98Å
949	E	31	Very low	32.1	Very low	187 Å²	187	134 Å²	134	87%	0.874	74%	0.74	S	S	*	*	S	Bend	trans	65.9	74.8	-168.8	-57	-174	170.7	0	0	116.1
950	Y	29.9	Very low	31.9	Very low	228 Å²	228	137.9 Å²	137.9	89%	0.894	76%	0.76	S	S	*	*			trans	-177.7	77.1	135	-102.4	-64.5	0	0	0	110
951	S	27.7	Very low	31.5	Very low	119 Å²	119	143 Å²	143	83%	0.832	78%	0.776	S	S	*	*			trans	-145.1	38.5	-178.1	66.1	0	0	0	0	113.4
952	E	30	Very low	31.3	Very low	173 Å²	173	148 Å²	148	81%	0.808	79%	0.79	S	S	*	*			trans	-139.1	165.8	167.6	-87.4	172.8	-169.2	0	0	107.4
953	I	31.3	Very low	31	Very low	171 Å²	171	148.8 Å²	148.8	88%	0.877	79%	0.787	S	S	*	*			trans	70.6	41.8	-166.5	-35.6	172.5	0	0	0	112.8
954	A	27.8	Very low	30.7	Very low	80 Å²	80	146.4 Å²	146.4	66%	0.661	79%	0.789	S	S	*	*	S	Bend		-101.9	163.7	125.6	0	0	0	0	0	107.7
955	D	29.7	Very low	30.3	Very low	157 Å²	157	148.3 Å²	148.3	84%	0.84	81%	0.805	S	S	*	*			trans	58.1	96.9	173.8	-52.1	-21.6	0	0	0	117.2
956	I	33.9	Very low	30.5	Very low	177 Å²	177	147.2 Å²	147.2	91%	0.908	81%	0.809	S	S	*	*			trans	-145.2	135	134.8	-101.6	156.4	0	0	0	106.9
957	D	30.4	Very low	30.8	Very low	164 Å²	164	146.8 Å²	146.8	88%	0.877	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-84.2	171.3	-168.8	-128.9	-42.4	0	0	0	113.4
958	G	29.4	Very low	31.3	Very low	70 Å²	70	147.2 Å²	147.2	72%	0.722	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-69.1	149.1	-168.6	0	0	0	0	0	116.7
959	D	33.1	Very low	31.7	Very low	176 Å²	176	148.6 Å²	148.6	94%	0.941	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-86.1	141.9	170.7	-99.5	-46.2	0	0	0	112.7
960	L	32.2	Very low	32.2	Very low	169 Å²	169	144.3 Å²	144.3	89%	0.885	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-103.5	155.3	-176.7	-159.7	73.8	0	0	0	111.3
961	E	28.7	Very low	32.6	Very low	171 Å²	171	140 Å²	140	80%	0.799	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-72.8	171.1	175.7	-60.1	-174.1	121.1	0	0	113.6
962	Y	32.8	Very low	33.3	Very low	196 Å²	196	140.9 Å²	140.9	77%	0.769	77%	0.772	S	S	*	*			trans	93.3	91	159.5	-98.3	-107.8	0	0	0	121.4
963	T	29.7	Very low	33.8	Very low	100 Å²	100	135.6 Å²	135.6	61%	0.613	76%	0.763	S	S	*	*				60	122.5	124.6	64	0	0	0	0	122.4
964	L	30.5	Very low	34.3	Very low	155 Å²	155	137.3 Å²	137.3	81%	0.812	77%	0.765	S	S	*	*				162.9	137.1	95	-108.9	151.8	0	0	0	114.3
965	S	30.2	Very low	34.9	Very low	103 Å²	103	138.9 Å²	138.9	72%	0.72	77%	0.768	S	S	*	*			trans	30.7	125.1	154	58.4	0	0	0	0	120.7
966	S	34.9	Very low	35	Very low	105 Å²	105	140.8 Å²	140.8	73%	0.734	77%	0.769	S	S	*	*				-169.9	152	76.1	-166.6	0	0	0	0	114.2
967	S	37.2	Very low	35.4	Very low	101 Å²	101	146.9 Å²	146.9	71%	0.706	78%	0.781	S	S	*	*			trans	25.8	137.7	146.3	65.2	0	0	0	0	121.4
968	D	37.2	Very low	35.6	Very low	116 Å²	116	146 Å²	146	62%	0.62	78%	0.776	S	S	*	*			cis	-164.4	162.1	12.9	-143.3	-7.8	0	0	0	113.4
969	R	38	Very low	35.9	Very low	202 Å²	202	150 Å²	150	76%	0.762	78%	0.779	S	S	*	*			trans	58.5	107.1	155	-73.9	164.7	-139.7	-115.2	-9.9	120
970	S	41	Very low	36.1	Very low	97 Å²	97	148.6 Å²	148.6	68%	0.678	77%	0.769	S	S	*	*				90.7	144.6	78.8	74.2	0	0	0	0	113.9
971	N	40	Very low	36.3	Very low	139 Å²	139	147.4 Å²	147.4	74%	0.743	76%	0.763	S	S	*	*			cis	-167.9	169.3	-3.4	-117.5	54.5	0	0	0	107.1
972	D	41.6	Very low	36.8	Very low	137 Å²	137	145.9 Å²	145.9	73%	0.733	76%	0.76	S	S	*	*			cis	-159.1	153.5	-1.3	-158.2	-25.8	0	0	0	110
973	G	39.7	Very low	37.1	Very low	61 Å²	61	142.5 Å²	142.5	63%	0.629	76%	0.76	S	S	*	*			trans	70.7	151.6	157.1	0	0	0	0	0	119.9
974	K	41.6	Very low	37.6	Very low	208 Å²	208	145.6 Å²	145.6	90%	0.904	77%	0.77	S	S	*	*			cis	-155.5	145.6	-9.3	-112.1	177.6	-176	173.9	0	109.4
975	P	41.4	Very low	38.1	Very low	112 Å²	112	144.8 Å²	144.8	73%	0.727	77%	0.767	S	S	*	*			trans	-114.3	175.8	-167.7	43.1	-36.4	0	0	0	116.2
976	F	32.4	Very low	38.8	Very low	197 Å²	197	148.3 Å²	148.3	86%	0.864	77%	0.771	S	S	*	*			trans	63.5	114.5	159.5	-86.3	-72.9	0	0	0	120.7
977	R	40.6	Very low	39.2	Very low	305 Å²	305	152.3 Å²	152.3	100%	1.151	77%	0.774	S	S	*	*				-124.2	0	110.7	-162.3	179.5	-164.4	-155.9	4.2	109

Retrieved 977 of 977 residues in 271.1 ms (Link to these results)

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