A0A087X2M4_POEFO Loading...

EMILIN-1-like

AlphaFold DB , UniProt , Accession A0A087X2M4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,099 aa.

						>A0A087X2M4_POEFO|A0A087X2M4
MGALPLLLLVLWICEHARSTFPMRASYSLYSGGHAHAHGARAASRHRNWCAFVLTKTVSCVVEDGVETYVKPDYHPCSWGSAQCSRVVVYRTYMRPRYKVAYKTVTEMEWKCCYGYSGEDCSVGPAGGAGSHASNGAGTGNGSGTGQNGGRQDREEIRKLEEKIQRLTEKLQDFQSTMNEHLHHELVRPGKNPADAAPPEIKETIHSIQTKLDQLDNRTKAHDKTLVSINNHLVNGKGNDLDGDVSHGGLSGEQLSSLKESVLKELERRVLLSCSSCQAGVEDLRRQQQQDQERIRALEKQLNDADVRHRQDAERLRLELQRSQRCCSSIDDLQNRMSDAENKISSASESFNVLLDRLRPGSDGGESQGGGGAIGGGGATGGAIGGGNGLTEVRLNLLKDLELHINSSVLQVCSHLEADLREFVQRELDDLRTAFSHRFDDRTFRIEDVELEVEQLQSNLLEQDRRLSALENQTAETRRRVEECHCTGGGKGEERGGDTVEGFTGSGGGGAGSAGTGGTGGGLSGGRENTTKKSLEWRVVANEGQIRHFNTRLKDLSVSGDSLHDRVLDLSHDVRAIKSLTGDNGENFNRIVMEVEMLGQDCELCSRVEADLQNLQNRSQDLSAMQEALQNLENRVGSIQTRLDSEGGGCSRVCSPLQDDVRSLRDEVRRCSERCGTGTGTGSFTAGNGSTGVPAAGGFGPGLDAEKPLDGHSVIGGSFNSNQLKTLQGELSDIIFTFGSINDTLRGLEHSVQKHGSIITDLGNTKDKIISELDKIQQEVTEHVQRSQERLDRTDRDVRRLESMLVAETGDCRRSGDGLEKRLSKLEGVCARLDGVSDSISKVKEGLNHHMSGLWSHVSGLNQSLIQHGGILDAVQKNQERVQSRVKSLNSSLVQVQKELQTGQTGLPGPPGEKGLMGLPGPRGPPGPPGLKGDAGSRGFPGPKGEPGLPGVDAHRPMLSFSAGLTALKETPGTVVFNKVFVNEGNFYNPATGVFTAPVDGHYYFSAVLTGHKNEKIEAVLAKSNYSVARVDSGGYQPEDLEAKPVAESKVSSGSLAVFSLVLPLQRGDTVCVDLVRGRLPHSVEPLTVFNGMLLYENL
					

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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	50.6	Low	49.1	Very low	245 Å²	245	110.8 Å²	110.8	100%	1.207	63%	0.634	S	S	*	*				0	95.6	0	-64.5	-63.5	-94.4	0	0	108.2
2	G	50.6	Low	48.6	Very low	49 Å²	49	115.3 Å²	115.3	51%	0.505	63%	0.633	S	S	.	*			trans	172.2	-25.7	-176.6	0	0	0	0	0	117.2	P5	G2-P5 WeakPolarHBondContact O-CD 3.25Å
3	A	46.3	Very low	48.3	Very low	80 Å²	80	114.8 Å²	114.8	66%	0.661	63%	0.627	S	S	*	*	H	α-helix	trans	-78.6	-33.6	-179.1	0	0	0	0	0	114.3	L6 L7	A3-L6 PolarHBondContact O-N 3.3Å; A3-L7 PolarHBondContact O-N 2.82Å
4	L	46.2	Very low	47.7	Very low	132 Å²	132	112.1 Å²	112.1	69%	0.691	62%	0.619	S	S	*	*	H	α-helix	trans	-58.4	-47.4	-179	-81.3	110.6	0	0	0	115.9	L6 L7 L8	L4-L6 PolarHBondContact O-N 3.01Å; L4-L7 PolarHBondContact O-N 3.03Å; L4-L8 PolarHBondContact O-N 2.91Å
5	P	51.5	Low	46.9	Very low	84 Å²	84	114.1 Å²	114.1	55%	0.545	62%	0.623	S	S	.	*	H	α-helix	trans	-65.3	-29	-179	25.6	-35.1	0	0	0	112.6	G2 L9	G2-P5 WeakPolarHBondContact O-CD 3.25Å; P5-L9 WeakPolarHBondContact O-CB 3.39Å; P5-L9 PolarHBondContact O-N 2.96Å
6	L	45.7	Very low	46.1	Very low	119 Å²	119	114.8 Å²	114.8	62%	0.623	62%	0.62	S	S	*	*	H	α-helix	trans	-71.5	-39.2	176.7	-119.3	160.3	0	0	0	111.7	A3 L4 L9 V10	A3-L6 PolarHBondContact O-N 3.3Å; L4-L6 PolarHBondContact O-N 3.01Å; L6-L9 PolarHBondContact O-N 3.48Å; L6-V10 WeakPolarHBondContact O-CG2 3.44Å; L6-V10 PolarHBondContact O-N 3.38Å
7	L	50.1	Low	45.3	Very low	121 Å²	121	112.3 Å²	112.3	63%	0.634	62%	0.618	S	S	*	*	H	α-helix	trans	-66.5	-41.8	175.1	-148	85.8	0	0	0	111.8	A3 L4 V10 L11	A3-L7 PolarHBondContact O-N 2.82Å; L4-L7 PolarHBondContact O-N 3.03Å; L7-V10 PolarHBondContact O-N 2.67Å; L7-L11 WeakPolarHBondContact O-CG 3.14Å; L7-L11 PolarHBondContact O-N 3.13Å
8	L	49.6	Very low	44.7	Very low	111 Å²	111	119.2 Å²	119.2	58%	0.581	63%	0.634	S	S	*	*	H	α-helix	trans	-65.3	-37.2	176.7	-72.6	167.9	0	0	0	112.3	L4 L11 W12	L4-L8 PolarHBondContact O-N 2.91Å; L8-L11 PolarHBondContact O-N 3.23Å; L8-W12 WeakPolarHBondContact O-CB 3.41Å; L8-W12 PolarHBondContact O-N 2.94Å
9	L	48.7	Very low	44.1	Very low	98 Å²	98	117.6 Å²	117.6	51%	0.513	63%	0.633	S	S	.	*	H	α-helix	trans	-64.1	-41.5	175.4	-156.5	82.9	0	0	0	111.8	P5 L6 W12 I13	P5-L9 WeakPolarHBondContact O-CB 3.39Å; P5-L9 PolarHBondContact O-N 2.96Å; L6-L9 PolarHBondContact O-N 3.48Å; L9-W12 PolarHBondContact O-N 3.33Å; L9-I13 HydrophobicContact CD2-CD1 4.4Å; L9-I13 HydrophobicContact CG-CD1 4.18Å; L9-I13 WeakPolarHBondContact O-CD1 2.85Å; L9-I13 VanDerWaalsContact O-CG1 3.26Å; L9-I13 WeakPolarHBondContact O-CG1 3.09Å; L9-I13 PolarHBondContact O-N 3.47Å; L9-I13 VanDerWaalsContact O-N 3.12Å
10	V	52.6	Low	43.8	Very low	83 Å²	83	117.9 Å²	117.9	50%	0.503	64%	0.639	S	S	.	*	H	α-helix	trans	-64.2	-42.4	176.6	171	0	0	0	0	111.4	L6 L7 C14	L6-V10 WeakPolarHBondContact O-CG2 3.44Å; L6-V10 PolarHBondContact O-N 3.38Å; L7-V10 PolarHBondContact O-N 2.67Å; V10-C14 PolarHBondContact O-N 3.04Å; V10-C14 VanDerWaalsContact O-N 3.11Å; V10-C14 PolarHBondContact O-SG 2.9Å; V10-C14 VanDerWaalsContact O-SG 3.33Å
11	L	48	Very low	42.9	Very low	97 Å²	97	121.4 Å²	121.4	51%	0.508	65%	0.649	S	S	.	*	H	α-helix	trans	-64.3	-44.5	176.7	-70.2	168.7	0	0	0	112.1	L7 L8 I13 C14 E15	L7-L11 WeakPolarHBondContact O-CG 3.14Å; L7-L11 PolarHBondContact O-N 3.13Å; L8-L11 PolarHBondContact O-N 3.23Å; L11-I13 VanDerWaalsContact C-N 3.32Å; L11-I13 PolarHBondContact O-N 3.14Å; L11-C14 PolarHBondContact O-N 2.9Å; L11-C14 VanDerWaalsContact O-N 3.11Å; L11-E15 PolarHBondContact O-N 2.78Å
12	W	43	Very low	41.9	Very low	165 Å²	165	115 Å²	115	63%	0.625	63%	0.626	S	S	*	*	H	α-helix	trans	-66.5	-31.9	-178.5	-162.6	53.4	0	0	0	113.5	L8 L9 H16	L8-W12 WeakPolarHBondContact O-CB 3.41Å; L8-W12 PolarHBondContact O-N 2.94Å; L9-W12 PolarHBondContact O-N 3.33Å; W12-H16 AromaticContact NE1-CE1 3.65Å; W12-H16 PolarHBondContact O-ND1 2.97Å
13	I	45.8	Very low	40.8	Very low	108 Å²	108	118.5 Å²	118.5	55%	0.554	63%	0.63	S	S	*	*	H	α-helix	trans	-71.1	-38.3	172.2	-68.2	165.7	0	0	0	110.9	L9 L11	L9-I13 HydrophobicContact CD2-CD1 4.4Å; L9-I13 HydrophobicContact CG-CD1 4.18Å; L9-I13 WeakPolarHBondContact O-CD1 2.85Å; L9-I13 VanDerWaalsContact O-CG1 3.26Å; L9-I13 WeakPolarHBondContact O-CG1 3.09Å; L9-I13 PolarHBondContact O-N 3.47Å; L9-I13 VanDerWaalsContact O-N 3.12Å; L11-I13 VanDerWaalsContact C-N 3.32Å; L11-I13 PolarHBondContact O-N 3.14Å
14	C	39.8	Very low	39.8	Very low	77 Å²	77	125 Å²	125	52%	0.52	64%	0.638	S	S	.	*	H	α-helix	trans	-69.2	-33.3	177.2	-74.2	0	0	0	0	113.7	V10 L11 A17	V10-C14 PolarHBondContact O-N 3.04Å; V10-C14 VanDerWaalsContact O-N 3.11Å; V10-C14 PolarHBondContact O-SG 2.9Å; V10-C14 VanDerWaalsContact O-SG 3.33Å; L11-C14 PolarHBondContact O-N 2.9Å; L11-C14 VanDerWaalsContact O-N 3.11Å; C14-A17 PolarHBondContact O-N 3.2Å
15	E	35.3	Very low	38.9	Very low	143 Å²	143	122.9 Å²	122.9	67%	0.668	64%	0.639	S	S	*	*	H	α-helix	trans	-68.2	-32.9	177.9	-77.2	-177.7	129.6	0	0	113.1	L11 A17	L11-E15 PolarHBondContact O-N 2.78Å; E15-A17 VanDerWaalsContact C-N 3.28Å; E15-A17 PolarHBondContact O-N 3.24Å
16	H	33.8	Very low	37.7	Very low	125 Å²	125	124.6 Å²	124.6	58%	0.579	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-6.3	177.3	-72.3	83	0	0	0	114	W12	W12-H16 AromaticContact NE1-CE1 3.65Å; W12-H16 PolarHBondContact O-ND1 2.97Å
17	A	32.9	Very low	36.8	Very low	72 Å²	72	127.7 Å²	127.7	60%	0.595	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	2.7	-177	0	0	0	0	0	114.5	C14 E15	C14-A17 PolarHBondContact O-N 3.2Å; E15-A17 VanDerWaalsContact C-N 3.28Å; E15-A17 PolarHBondContact O-N 3.24Å
18	R	33.6	Very low	35.5	Very low	237 Å²	237	126.2 Å²	126.2	89%	0.894	66%	0.657	S	S	*	*	S	Bend	trans	-102.7	-1.3	-177.8	-84.8	-171.8	169.6	-165.4	-3.2	115.7
19	S	34.4	Very low	34.6	Very low	89 Å²	89	128.1 Å²	128.1	62%	0.622	67%	0.667	S	S	*	*	S	Bend	trans	-120.8	22.3	-164.2	48.4	0	0	0	0	116.9
20	T	36.9	Very low	33.5	Very low	122 Å²	122	132.8 Å²	132.8	75%	0.748	68%	0.68	S	S	*	*			trans	-157	84.6	161.4	24.4	0	0	0	0	113.8
21	F	25.8	Very low	32.2	Very low	193 Å²	193	133.6 Å²	133.6	85%	0.846	69%	0.689	S	S	*	*			trans	-138.4	103.4	155.1	-85.7	-72.4	0	0	0	110
22	P	30.2	Very low	31.2	Very low	111 Å²	111	132.4 Å²	132.4	72%	0.721	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-68.7	138	176.8	27.9	-33.2	0	0	0	110.9
23	M	26.4	Very low	30.4	Very low	122 Å²	122	128 Å²	128	60%	0.601	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-52.1	146.4	173.3	-76.1	-86.9	-165.7	0	0	111.7	A25 E603	M23-A25 PolarHBondContact O-N 2.76Å; M23-E603 WeakPolarHBondContact CE-OE1 3.45Å
24	R	26.8	Very low	29.5	Very low	216 Å²	216	132.3 Å²	132.3	82%	0.815	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-58	127.5	169.6	-81.8	176.4	162	145.6	-6.2	109.9	S26	R24-S26 PolarHBondContact O-N 2.9Å
25	A	25.5	Very low	28.9	Very low	87 Å²	87	132.6 Å²	132.6	72%	0.719	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-64.7	122.5	161.2	0	0	0	0	0	109.4	M23 Y27	M23-A25 PolarHBondContact O-N 2.76Å; A25-Y27 PolarHBondContact O-N 3.49Å
26	S	28	Very low	28.4	Very low	121 Å²	121	135.3 Å²	135.3	85%	0.846	74%	0.743	S	S	*	*			trans	-69.2	98.9	176.9	-55.9	0	0	0	0	110.3	R24 S28	R24-S26 PolarHBondContact O-N 2.9Å; S26-S28 PolarHBondContact O-N 2.89Å
27	Y	25	Very low	28	Very low	183 Å²	183	133.4 Å²	133.4	72%	0.718	75%	0.75	S	S	*	*			trans	-70.8	102.1	177.1	42.5	-90.4	0	0	0	110.8	A25 L29	A25-Y27 PolarHBondContact O-N 3.49Å; Y27-L29 HydrophobicContact CD2-CG 4.5Å; Y27-L29 PolarHBondContact O-N 3.37Å
28	S	24.6	Very low	27.8	Very low	90 Å²	90	139.4 Å²	139.4	63%	0.629	77%	0.765	S	S	*	*			trans	-70.3	108.6	168.1	-177.6	0	0	0	0	109.6	S26 Y30 S31	S26-S28 PolarHBondContact O-N 2.89Å; S28-Y30 PolarHBondContact O-N 3.29Å; S28-S31 PolarHBondContact O-OG 3.04Å
29	L	28.8	Very low	27.4	Very low	151 Å²	151	131.8 Å²	131.8	79%	0.791	76%	0.76	S	S	*	*	S	Bend	trans	-77	51.2	175.6	-82	170	0	0	0	112.5	Y27	Y27-L29 HydrophobicContact CD2-CG 4.5Å; Y27-L29 PolarHBondContact O-N 3.37Å
30	Y	27.3	Very low	27.7	Very low	197 Å²	197	132.5 Å²	132.5	77%	0.773	77%	0.771	S	S	*	*			trans	-159.7	56.7	157.4	-101.6	-63.3	0	0	0	112.4	S28	S28-Y30 PolarHBondContact O-N 3.29Å
31	S	25.1	Very low	27.6	Very low	100 Å²	100	135.4 Å²	135.4	70%	0.699	77%	0.769	S	S	*	*			trans	-122.4	70.7	166	49	0	0	0	0	110.9	S28 G33	S28-S31 PolarHBondContact O-OG 3.04Å; S31-G33 VanDerWaalsContact C-N 3.27Å; S31-G33 PolarHBondContact O-N 2.97Å
32	G	25.8	Very low	28.2	Very low	72 Å²	72	129.2 Å²	129.2	74%	0.742	75%	0.753	S	S	*	*			trans	-68.2	74.4	179	0	0	0	0	0	113.6	H34	G32-H34 VanDerWaalsContact C-N 3.29Å; G32-H34 PolarHBondContact O-N 3Å
33	G	26.2	Very low	28.5	Very low	73 Å²	73	129.7 Å²	129.7	75%	0.753	77%	0.766	S	S	*	*			trans	-72.1	73.6	176.8	0	0	0	0	0	112.9	S31 A35	S31-G33 VanDerWaalsContact C-N 3.27Å; S31-G33 PolarHBondContact O-N 2.97Å; G33-A35 PolarHBondContact O-N 2.71Å; G33-A35 VanDerWaalsContact O-N 3.16Å
34	H	27.7	Very low	29.2	Very low	198 Å²	198	126.9 Å²	126.9	92%	0.917	76%	0.759	S	S	*	*			trans	-66.1	111.7	170.3	-91.1	-65.4	0	0	0	111.1	G32	G32-H34 VanDerWaalsContact C-N 3.29Å; G32-H34 PolarHBondContact O-N 3Å
35	A	26.2	Very low	30	Very low	82 Å²	82	128.2 Å²	128.2	68%	0.678	76%	0.764	S	S	*	*			trans	-135.2	94.3	167.4	0	0	0	0	0	110.5	G33	G33-A35 PolarHBondContact O-N 2.71Å; G33-A35 VanDerWaalsContact O-N 3.16Å
36	H	25.5	Very low	31.2	Very low	200 Å²	200	130.3 Å²	130.3	93%	0.926	76%	0.758	S	S	*	*			trans	-151.4	140.1	136.5	-98.6	-61.5	0	0	0	110
37	A	26	Very low	32.7	Very low	86 Å²	86	136 Å²	136	71%	0.711	76%	0.761	S	S	*	*			trans	-71.6	139.2	-163.7	0	0	0	0	0	113.8
38	H	27.9	Very low	35.2	Very low	197 Å²	197	129.2 Å²	129.2	91%	0.912	74%	0.738	S	S	*	*				-156.1	144.2	113	-93.3	-72.1	0	0	0	109.3
39	G	26.3	Very low	37.6	Very low	77 Å²	77	129.8 Å²	129.8	79%	0.794	73%	0.726	S	S	*	*			trans	96.3	93.5	178.2	0	0	0	0	0	114.7	R41	G39-R41 PolarHBondContact O-N 3.04Å
40	A	38.8	Very low	40.1	Very low	104 Å²	104	124.8 Å²	124.8	86%	0.86	70%	0.703	S	S	*	*			trans	-88.6	96.3	173.3	0	0	0	0	0	111
41	R	35	Very low	42.5	Very low	184 Å²	184	117.6 Å²	117.6	69%	0.694	69%	0.685	S	S	*	*			trans	-166.7	153.7	171.3	-102.1	161.2	-162.2	150.4	-1.9	108.8	G39 D120	G39-R41 PolarHBondContact O-N 3.04Å; R41-D120 WeakPolarHBondContact CD-OD1 3.42Å; R41-D120 IonicContact CZ-OD1 2.65Å; R41-D120 IonicContact CZ-OD2 3.18Å; R41-D120 IonicContact NE-OD1 3.05Å; R41-D120 PolarHBondContact NE-OD1 3.35Å; R41-D120 IonicContact NE-OD2 3.49Å; R41-D120 PolarHBondContact NE-OD2 2.88Å; R41-D120 IonicContact NH1-OD1 2.76Å; R41-D120 PolarHBondContact NH1-OD1 2.91Å; R41-D120 IonicContact NH1-OD2 2.76Å; R41-D120 PolarHBondContact NH1-OD2 3.48Å; R41-D120 IonicContact NH2-OD2 3.52Å; R41-D120 PolarHBondContact NH2-OD2 2.8Å
42	A	39.2	Very low	44.6	Very low	62 Å²	62	116.4 Å²	116.4	51%	0.512	67%	0.667	S	S	.	*			cis	-149.7	101.4	-1.4	0	0	0	0	0	112.7	S44	A42-S44 PolarHBondContact O-N 3.3Å
43	A	36	Very low	47.1	Very low	121 Å²	121	117.6 Å²	117.6	100%	1	66%	0.66	S	S	*	*			trans	-76.1	44.2	151	0	0	0	0	0	110.6
44	S	40.6	Very low	49.3	Very low	64 Å²	64	116.9 Å²	116.9	45%	0.448	64%	0.638	S	S	.	*			trans	-97.3	150.1	-173.2	-167.6	0	0	0	0	110.7	A42 H46	A42-S44 PolarHBondContact O-N 3.3Å; S44-H46 PolarHBondContact O-N 2.83Å; S44-H46 PolarHBondContact OG-ND1 3.44Å
45	R	44.3	Very low	51.4	Low	244 Å²	244	112.6 Å²	112.6	92%	0.921	63%	0.626	S	S	*	*	S	Bend	trans	-75.7	28.2	-171.6	-66.8	-176.5	168	-160.1	-3.6	114.8
46	H	50.5	Low	53.3	Low	130 Å²	130	113.2 Å²	113.2	60%	0.602	61%	0.614	S	S	*	*			trans	-135.3	94.7	-168.5	-44.8	93	0	0	0	109.7	S44 N48	S44-H46 PolarHBondContact O-N 2.83Å; S44-H46 PolarHBondContact OG-ND1 3.44Å; H46-N48 PolarHBondContact O-N 2.94Å; H46-N48 VanDerWaalsContact O-N 3.13Å
47	R	59.7	Low	55.7	Low	241 Å²	241	108.8 Å²	108.8	91%	0.909	60%	0.601	S	S	*	*			trans	-88.6	60.6	-169.5	-69.1	-176	172.2	-177.7	-3.1	113.3
48	N	77.3	Confident	57.9	Low	41 Å²	41	107.8 Å²	107.8	22%	0.219	59%	0.585	C	S	.	*			trans	-96.2	13.8	-178	-61.8	-1.5	0	0	0	114.1	H46 C113 Y116 C121	H46-N48 PolarHBondContact O-N 2.94Å; H46-N48 VanDerWaalsContact O-N 3.13Å; N48-C113 PolarHBondContact O-N 3.09Å; N48-C113 PolarHBondContact O-SG 3.41Å; N48-Y116 HydrophobicContact CB-CD1 4.2Å; N48-Y116 HydrophobicContact CB-CG 4.29Å; N48-Y116 VanDerWaalsContact ND2-CD1 3.32Å; N48-Y116 WeakPolarHBondContact ND2-CD1 3.1Å; N48-Y116 WeakPolarHBondContact ND2-CE1 3.34Å; N48-C121 HydrophobicContact CB-CB 4.13Å; N48-C121 VanDerWaalsContact CB-O 3.28Å; N48-C121 WeakPolarHBondContact CB-O 3.45Å; N48-C121 PolarHBondContact ND2-O 2.83Å
49	W	76.3	Confident	60.1	Low	101 Å²	101	102.2 Å²	102.2	38%	0.383	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103	129.7	-177.9	-68.6	82.7	0	0	0	110.5	W110 K111 D120 C121	W49-W110 HydrophobicContact CB-CE3 4.1Å; W49-W110 HydrophobicContact CE3-CB 4.16Å; W49-K111 WeakPolarHBondContact CA-O 3.2Å; W49-D120 PolarHBondContact NE1-O 2.84Å; W49-C121 HydrophobicContact CD2-CB 4.34Å; W49-C121 HydrophobicContact CZ2-CB 4.25Å; W49-C121 WeakPolarHBondContact CZ2-SG 3.48Å
50	C	81	Confident	62.2	Low	46 Å²	46	100.8 Å²	100.8	31%	0.311	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.7	179.4	-81.6	0	0	0	0	109.6	F52 K111 C113	C50-F52 HydrophobicContact CB-CD2 4.43Å; C50-F52 HydrophobicContact CB-CE2 3.72Å; C50-F52 HydrophobicContact CB-CZ 4.31Å; C50-F52 WeakPolarHBondContact O-CD2 3.17Å; C50-K111 PolarHBondContact N-O 3.35Å; C50-K111 PolarHBondContact O-N 2.87Å; C50-C113 HydrophobicContact CB-CB 4.06Å; C50-C113 WeakPolarHBondContact CB-SG 3.41Å; C50-C113 PolarHBondContact N-SG 2.86Å; C50-C113 VanDerWaalsContact N-SG 3.37Å; C50-C113 VanDerWaalsContact SG-CA 3.57Å; C50-C113 WeakPolarHBondContact SG-CB 3.44Å; C50-C113 CovalentContact SG-SG 2.04Å; C50-C113 PolarHBondContact SG-SG 3.4Å
51	A	76.8	Confident	63.8	Low	47 Å²	47	100.9 Å²	100.9	39%	0.388	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	130.3	173.1	0	0	0	0	0	110.2	M108 W110	A51-M108 HydrophobicContact CB-SD 4.48Å; A51-W110 HydrophobicContact CB-CD2 4.12Å; A51-W110 HydrophobicContact CB-CE3 4.04Å; A51-W110 HydrophobicContact CB-CH2 3.91Å; A51-W110 HydrophobicContact CB-CZ2 3.97Å; A51-W110 HydrophobicContact CB-CZ3 3.95Å
52	F	70.3	Confident	66	Low	74 Å²	74	95.1 Å²	95.1	33%	0.325	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.5	174.1	-68.2	-97.1	0	0	0	108.9	C50 L54 M108 E109 K111	C50-F52 HydrophobicContact CB-CD2 4.43Å; C50-F52 HydrophobicContact CB-CE2 3.72Å; C50-F52 HydrophobicContact CB-CZ 4.31Å; C50-F52 WeakPolarHBondContact O-CD2 3.17Å; F52-L54 PolarHBondContact O-N 3.36Å; F52-M108 WeakPolarHBondContact O-CA 3.44Å; F52-E109 PolarHBondContact N-O 2.79Å; F52-E109 PolarHBondContact O-N 3.04Å; F52-K111 HydrophobicContact CD2-CB 3.82Å; F52-K111 HydrophobicContact CD2-CD 4.35Å; F52-K111 HydrophobicContact CD2-CG 4.24Å; F52-K111 HydrophobicContact CE2-CB 3.73Å
53	V	77.9	Confident	67.6	Low	98 Å²	98	97.4 Å²	97.4	59%	0.594	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	109.8	175.8	-176.9	0	0	0	0	108.8	T106 E107 M108	V53-T106 HydrophobicContact CG1-CG2 3.59Å; V53-E107 WeakPolarHBondContact CA-O 3.43Å; V53-M108 HydrophobicContact CG2-CG 4.41Å
54	L	71.6	Confident	69.6	Low	57 Å²	57	94.7 Å²	94.7	30%	0.298	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	131.8	166.2	-70.3	-173.4	0	0	0	109.8	F52 T106 E107 E109	F52-L54 PolarHBondContact O-N 3.36Å; L54-T106 CarbonylContact O-C 3.59Å; L54-T106 VanDerWaalsContact O-CA 3.3Å; L54-T106 WeakPolarHBondContact O-CA 3.4Å; L54-E107 PolarHBondContact N-O 2.95Å; L54-E107 PolarHBondContact O-N 2.85Å; L54-E109 HydrophobicContact CD1-CB 4.22Å; L54-E109 VanDerWaalsContact CD1-OE2 3.28Å; L54-E109 WeakPolarHBondContact CD1-OE2 3.46Å; L54-E109 HydrophobicContact CG-CB 4.15Å; L54-E109 WeakPolarHBondContact CG-OE2 3.22Å
55	T	71.8	Confident	71.5	Confident	108 Å²	108	93.6 Å²	93.6	66%	0.663	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	126	163.2	40.8	0	0	0	0	109.8	T106	T55-T106 HydrophobicContact CG2-CG2 3.69Å
56	K	67.3	Low	72.9	Confident	96 Å²	96	86 Å²	86	42%	0.417	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.4	175.2	-68.5	175.2	179.6	173.5	0	109.4	T104 V105 E107	K56-T104 WeakPolarHBondContact O-CA 3.2Å; K56-V105 PolarHBondContact N-O 3.26Å; K56-V105 PolarHBondContact O-N 2.77Å; K56-E107 WeakPolarHBondContact CE-OE2 3.28Å; K56-E107 IonicContact NZ-OE2 3.35Å; K56-E107 PolarHBondContact NZ-OE2 3.36Å
57	T	74.9	Confident	73.8	Confident	107 Å²	107	82.4 Å²	82.4	66%	0.656	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	117.7	170.7	47	0	0	0	0	109.7	T104	T57-T104 HydrophobicContact CG2-CG2 3.86Å
58	V	73.5	Confident	74.6	Confident	64 Å²	64	75.1 Å²	75.1	39%	0.388	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	143.7	174.7	-59.1	0	0	0	0	110.3	Y102 K103 V105	V58-Y102 CarbonylContact O-C 3.49Å; V58-Y102 WeakPolarHBondContact O-CA 3.45Å; V58-K103 PolarHBondContact N-O 2.86Å; V58-K103 PolarHBondContact O-N 3.47Å; V58-V105 HydrophobicContact CG2-CG2 3.66Å
59	S	74	Confident	74.3	Confident	81 Å²	81	78 Å²	78	57%	0.566	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	137.2	171.9	41.3	0	0	0	0	110.7	A101	S59-A101 CarbonylContact C-O 3.58Å; S59-A101 WeakPolarHBondContact CA-O 3.38Å
60	C	69.3	Low	74.4	Confident	46 Å²	46	77.6 Å²	77.6	31%	0.311	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	149.1	174	58.7	0	0	0	0	110.5	V100 A101	C60-V100 CarbonylContact O-C 3.6Å; C60-V100 WeakPolarHBondContact O-CA 3.26Å; C60-A101 PolarHBondContact N-O 3.46Å; C60-A101 PolarHBondContact O-N 3.5Å
61	V	73.3	Confident	73.8	Confident	107 Å²	107	81 Å²	81	65%	0.648	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	124.9	177.9	-178.7	0	0	0	0	108.3	Y98	V61-Y98 HydrophobicContact CG1-CD1 4.16Å; V61-Y98 HydrophobicContact CG1-CG 4.06Å
62	V	79.9	Confident	73.4	Confident	63 Å²	63	80.7 Å²	80.7	38%	0.382	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.2	-175.2	-176.1	0	0	0	0	109.1	Y98 K99 A101	V62-Y98 CarbonylContact O-C 3.6Å; V62-Y98 WeakPolarHBondContact O-CA 3.49Å; V62-K99 PolarHBondContact N-O 2.91Å; V62-K99 PolarHBondContact O-N 3.45Å; V62-A101 HydrophobicContact CG2-CB 3.81Å
63	E	73.6	Confident	72.9	Confident	110 Å²	110	79.5 Å²	79.5	51%	0.514	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	140.3	179.7	-154.3	160.4	138.4	0	0	111.6	P96 R97 Y98	E63-P96 HydrophobicContact CG-CB 4.14Å; E63-R97 WeakPolarHBondContact CA-O 3.42Å; E63-R97 WeakPolarHBondContact CG-O 3.4Å; E63-Y98 HydrophobicContact CB-CD1 4.02Å; E63-Y98 HydrophobicContact CB-CE1 3.84Å; E63-Y98 HydrophobicContact CG-CD1 4.12Å; E63-Y98 HydrophobicContact CG-CE1 3.69Å; E63-Y98 PolarHBondContact OE2-OH 3.49Å
64	D	78.7	Confident	72.4	Confident	63 Å²	63	82 Å²	82	34%	0.337	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	46.7	-169.2	-165	39.5	0	0	0	111.1	R97 K99	D64-R97 HydrophobicContact CB-CB 4.33Å; D64-R97 PolarHBondContact N-O 2.87Å; D64-K99 HydrophobicContact CB-CB 4.08Å; D64-K99 HydrophobicContact CB-CD 3.99Å; D64-K99 HydrophobicContact CB-CG 3.94Å; D64-K99 WeakPolarHBondContact OD1-CD 3.31Å; D64-K99 VanDerWaalsContact OD1-CE 3.25Å; D64-K99 WeakPolarHBondContact OD1-CE 3.39Å; D64-K99 IonicContact OD1-NZ 3.4Å; D64-K99 PolarHBondContact OD1-NZ 2.65Å
65	G	78.6	Confident	71.8	Confident	41 Å²	41	84.9 Å²	84.9	42%	0.423	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	76.9	-164	-175.4	0	0	0	0	0	113.3	R97	G65-R97 PolarHBondContact O-N 3.3Å
66	V	74.1	Confident	71	Confident	86 Å²	86	85.7 Å²	85.7	52%	0.521	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.8	-170.4	-142.6	0	0	0	0	109.5	M94 R95	V66-M94 HydrophobicContact CG1-CB 3.78Å; V66-R95 CarbonylContact C-O 3.59Å; V66-R95 WeakPolarHBondContact CG1-O 3.36Å
67	E	70.6	Confident	70.5	Confident	53 Å²	53	84.2 Å²	84.2	25%	0.248	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	122.9	179.8	-167	168.2	-99	0	0	110.6	M94 R95 R97	E67-M94 CarbonylContact O-C 3.59Å; E67-M94 WeakPolarHBondContact O-CA 3.38Å; E67-R95 HydrophobicContact CB-CG 4.03Å; E67-R95 PolarHBondContact N-O 2.92Å; E67-R95 PolarHBondContact O-N 3.36Å; E67-R95 IonicContact OE2-CZ 3.32Å; E67-R95 IonicContact OE2-NE 3Å; E67-R95 PolarHBondContact OE2-NE 3.17Å; E67-R95 IonicContact OE2-NH2 3.46Å; E67-R95 PolarHBondContact OE2-NH2 3.43Å; E67-R97 HydrophobicContact CB-CG 3.82Å; E67-R97 IonicContact OE1-CZ 3.02Å; E67-R97 IonicContact OE1-NH1 2.75Å; E67-R97 PolarHBondContact OE1-NH1 3.2Å
68	T	75.5	Confident	69.6	Low	89 Å²	89	83.8 Å²	83.8	55%	0.546	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	127.2	168.9	39.4	0	0	0	0	110	Y93 M94	T68-Y93 CarbonylContact C-O 3.57Å; T68-Y93 WeakPolarHBondContact CA-O 3.47Å; T68-M94 HydrophobicContact CG2-CE 3.79Å; T68-M94 HydrophobicContact CG2-CG 3.76Å
69	Y	72.3	Confident	67.9	Low	100 Å²	100	93.6 Å²	93.6	39%	0.392	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.9	171.5	73.7	-80.2	0	0	0	110.2	K71 T92 Y93 R95	Y69-K71 HydrophobicContact CE2-CB 4.45Å; Y69-T92 WeakPolarHBondContact O-CA 3.07Å; Y69-Y93 VanDerWaalsContact CD1-O 3.29Å; Y69-Y93 WeakPolarHBondContact CD1-O 3.39Å; Y69-Y93 PolarHBondContact N-O 3.16Å; Y69-Y93 PolarHBondContact O-N 3.01Å; Y69-R95 HydrophobicContact CD1-CB 4.41Å; Y69-R95 HydrophobicContact CD1-CG 4.07Å; Y69-R95 HydrophobicContact CE1-CB 4.11Å; Y69-R95 HydrophobicContact CE1-CG 4.24Å
70	V	76.8	Confident	67	Low	94 Å²	94	93.7 Å²	93.7	57%	0.57	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.4	-176.9	-168.4	0	0	0	0	109.4	Y90 T92	V70-Y90 HydrophobicContact CG1-CD1 4.07Å; V70-Y90 HydrophobicContact CG1-CG 4.35Å; V70-T92 HydrophobicContact CG2-CG2 3.96Å
71	K	68.6	Low	65.9	Low	117 Å²	117	94.7 Å²	94.7	51%	0.509	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.2	175.9	-171.8	-175.9	176.9	-174.3	0	110.2	Y69 D73 R91 Y93	Y69-K71 HydrophobicContact CE2-CB 4.45Å; K71-D73 PolarHBondContact O-N 3.44Å; K71-R91 PolarHBondContact N-O 3.06Å; K71-R91 PolarHBondContact O-N 3.46Å; K71-Y93 HydrophobicContact CB-CD2 3.88Å; K71-Y93 HydrophobicContact CB-CE2 3.91Å; K71-Y93 HydrophobicContact CD-CE2 4.44Å
72	P	69.2	Low	65	Low	41 Å²	41	94.8 Å²	94.8	27%	0.266	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	128.7	169.6	28.2	-33.1	0	0	0	110.3	Y74 V88 Y90	P72-Y74 HydrophobicContact CB-CE2 3.87Å; P72-Y74 HydrophobicContact CG-CE2 4Å; P72-V88 HydrophobicContact CB-CG1 3.54Å; P72-Y90 HydrophobicContact CB-CD1 4.08Å; P72-Y90 HydrophobicContact CB-CE1 3.83Å; P72-Y90 HydrophobicContact CG-CE1 4.41Å
73	D	60.3	Low	63.8	Low	48 Å²	48	100.6 Å²	100.6	26%	0.257	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.6	127.7	174.9	-162.2	7.3	0	0	0	109.4	K71 V89 R91	K71-D73 PolarHBondContact O-N 3.44Å; D73-V89 WeakPolarHBondContact CA-O 3.45Å; D73-V89 WeakPolarHBondContact CB-O 3.47Å; D73-V89 PolarHBondContact N-O 2.79Å; D73-V89 PolarHBondContact O-N 2.94Å; D73-V89 VanDerWaalsContact O-N 3.09Å; D73-R91 HydrophobicContact CB-CG 4.5Å; D73-R91 WeakPolarHBondContact OD2-CD 3.48Å; D73-R91 IonicContact OD2-CZ 2.67Å; D73-R91 IonicContact OD2-NE 2.83Å; D73-R91 IonicContact OD2-NH1 3.15Å; D73-R91 PolarHBondContact OD2-NH1 2.8Å
74	Y	66.9	Low	62.7	Low	150 Å²	150	98.1 Å²	98.1	59%	0.588	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.7	109.5	-167.9	-64	-88.6	0	0	0	109.9	P72 P76 V88	P72-Y74 HydrophobicContact CB-CE2 3.87Å; P72-Y74 HydrophobicContact CG-CE2 4Å; Y74-P76 WeakPolarHBondContact O-CD 3.47Å; Y74-V88 HydrophobicContact CD1-CG2 4.08Å; Y74-V88 HydrophobicContact CE1-CB 4.47Å; Y74-V88 HydrophobicContact CE1-CG1 4.06Å; Y74-V88 HydrophobicContact CE1-CG2 3.68Å
75	H	58.4	Low	61.5	Low	118 Å²	118	99.9 Å²	99.9	55%	0.546	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-65.3	126.6	179.8	-78.5	69.1	0	0	0	111.1	C77	H75-C77 PolarHBondContact O-N 3.38Å
76	P	54.6	Low	60.3	Low	126 Å²	126	108.8 Å²	108.8	82%	0.818	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-67.1	125.5	176.2	-21	33.4	0	0	0	111.9	Y74	Y74-P76 WeakPolarHBondContact O-CD 3.47Å
77	C	57.5	Low	59.5	Low	65 Å²	65	109.1 Å²	109.1	44%	0.439	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-70.5	134	168.5	-51	0	0	0	0	109.7	H75 C84	H75-C77 PolarHBondContact O-N 3.38Å; C77-C84 HydrophobicContact CB-CB 3.88Å; C77-C84 WeakPolarHBondContact CB-SG 3.25Å; C77-C84 WeakPolarHBondContact SG-CB 3.42Å; C77-C84 CovalentContact SG-SG 2.04Å; C77-C84 PolarHBondContact SG-SG 3.48Å
78	S	55.1	Low	59.1	Low	97 Å²	97	109 Å²	109	68%	0.678	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-69.4	145	169.2	46.9	0	0	0	0	111.4	G80	S78-G80 PolarHBondContact O-N 3.3Å
79	W	39.2	Very low	58.4	Low	271 Å²	271	107.2 Å²	107.2	100%	1.027	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	114.9	-180	-114	30.6	0	0	0	110.8
80	G	53.8	Low	58.4	Low	82 Å²	82	110 Å²	110	85%	0.845	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	135	-16.1	170.1	0	0	0	0	0	116.4	S78	S78-G80 PolarHBondContact O-N 3.3Å
81	S	47.5	Very low	58	Low	68 Å²	68	111.1 Å²	111.1	48%	0.476	59%	0.591	S	S	.	*			trans	-90	121.5	-179.2	54	0	0	0	0	112.7	Q83	S81-Q83 PolarHBondContact O-N 2.81Å
82	A	52.9	Low	58	Low	108 Å²	108	110.5 Å²	110.5	89%	0.893	60%	0.597	S	S	*	*	S	Bend	trans	-75.9	0.6	-178.1	0	0	0	0	0	114.7
83	Q	56.5	Low	58.2	Low	185 Å²	185	112.6 Å²	112.6	86%	0.864	60%	0.6	S	S	*	*			trans	-138.3	90	178	-67	-177.6	0.9	0	0	109.2	S81	S81-Q83 PolarHBondContact O-N 2.81Å
84	C	50.2	Low	58.7	Low	59 Å²	59	116.9 Å²	116.9	40%	0.399	62%	0.62	S	S	.	*			trans	-108.5	103.5	170	-168	0	0	0	0	109.1	C77 R86	C77-C84 HydrophobicContact CB-CB 3.88Å; C77-C84 WeakPolarHBondContact CB-SG 3.25Å; C77-C84 WeakPolarHBondContact SG-CB 3.42Å; C77-C84 CovalentContact SG-SG 2.04Å; C77-C84 PolarHBondContact SG-SG 3.48Å; C84-R86 PolarHBondContact O-N 2.97Å
85	S	52.4	Low	58.9	Low	100 Å²	100	116.1 Å²	116.1	70%	0.699	62%	0.617	S	S	*	*			trans	-68.1	115	169.4	40.1	0	0	0	0	109	V87	S85-V87 PolarHBondContact O-N 2.88Å
86	R	53.3	Low	59.2	Low	227 Å²	227	113.2 Å²	113.2	86%	0.857	61%	0.608	S	S	*	*			trans	-73	76.2	177.2	-75.8	-178	168.5	178.5	-4.1	110.9	C84 V88	C84-R86 PolarHBondContact O-N 2.97Å; R86-V88 PolarHBondContact O-N 2.65Å; R86-V88 VanDerWaalsContact O-N 3.16Å
87	V	57.2	Low	59.8	Low	93 Å²	93	112.9 Å²	112.9	56%	0.564	59%	0.591	S	S	*	*			trans	-71.2	105.1	171.2	-175.9	0	0	0	0	108.4	S85 V89	S85-V87 PolarHBondContact O-N 2.88Å; V87-V89 HydrophobicContact CG1-CG2 4.03Å; V87-V89 PolarHBondContact O-N 3.4Å
88	V	62.2	Low	60.7	Low	52 Å²	52	116 Å²	116	32%	0.315	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78	117.5	171.5	-175.8	0	0	0	0	107.8	P72 Y74 R86 Y90	P72-V88 HydrophobicContact CB-CG1 3.54Å; Y74-V88 HydrophobicContact CD1-CG2 4.08Å; Y74-V88 HydrophobicContact CE1-CB 4.47Å; Y74-V88 HydrophobicContact CE1-CG1 4.06Å; Y74-V88 HydrophobicContact CE1-CG2 3.68Å; R86-V88 PolarHBondContact O-N 2.65Å; R86-V88 VanDerWaalsContact O-N 3.16Å; V88-Y90 HydrophobicContact CG1-CD2 4.47Å; V88-Y90 HydrophobicContact CG1-CE1 4.49Å; V88-Y90 HydrophobicContact CG1-CE2 3.99Å
89	V	62.2	Low	61.6	Low	50 Å²	50	116.1 Å²	116.1	30%	0.303	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.2	110.8	179.5	-178.8	0	0	0	0	108.4	D73 V87 R91	D73-V89 WeakPolarHBondContact CA-O 3.45Å; D73-V89 WeakPolarHBondContact CB-O 3.47Å; D73-V89 PolarHBondContact N-O 2.79Å; D73-V89 PolarHBondContact O-N 2.94Å; D73-V89 VanDerWaalsContact O-N 3.09Å; V87-V89 HydrophobicContact CG1-CG2 4.03Å; V87-V89 PolarHBondContact O-N 3.4Å; V89-R91 HydrophobicContact CG1-CG 4.46Å; V89-R91 PolarHBondContact O-N 3.24Å
90	Y	70.7	Confident	63.4	Low	160 Å²	160	106.6 Å²	106.6	63%	0.627	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.8	122.9	175.8	-68.2	-84.5	0	0	0	110.1	V70 P72 V88	V70-Y90 HydrophobicContact CG1-CD1 4.07Å; V70-Y90 HydrophobicContact CG1-CG 4.35Å; P72-Y90 HydrophobicContact CB-CD1 4.08Å; P72-Y90 HydrophobicContact CB-CE1 3.83Å; P72-Y90 HydrophobicContact CG-CE1 4.41Å; V88-Y90 HydrophobicContact CG1-CD2 4.47Å; V88-Y90 HydrophobicContact CG1-CE1 4.49Å; V88-Y90 HydrophobicContact CG1-CE2 3.99Å
91	R	68.4	Low	64.4	Low	117 Å²	117	104.2 Å²	104.2	44%	0.442	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.2	177.2	-80.5	178.9	163	157.8	-5.9	110.5	K71 D73 V89 Y93	K71-R91 PolarHBondContact N-O 3.06Å; K71-R91 PolarHBondContact O-N 3.46Å; D73-R91 HydrophobicContact CB-CG 4.5Å; D73-R91 WeakPolarHBondContact OD2-CD 3.48Å; D73-R91 IonicContact OD2-CZ 2.67Å; D73-R91 IonicContact OD2-NE 2.83Å; D73-R91 IonicContact OD2-NH1 3.15Å; D73-R91 PolarHBondContact OD2-NH1 2.8Å; V89-R91 HydrophobicContact CG1-CG 4.46Å; V89-R91 PolarHBondContact O-N 3.24Å; R91-Y93 HydrophobicContact CB-CD2 4.35Å; R91-Y93 HydrophobicContact CB-CE2 3.62Å; R91-Y93 WeakPolarHBondContact O-CD2 3.38Å
92	T	70.3	Confident	65.7	Low	103 Å²	103	109.2 Å²	109.2	63%	0.632	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	127.9	169.5	19.2	0	0	0	0	110.1	Y69 V70	Y69-T92 WeakPolarHBondContact O-CA 3.07Å; V70-T92 HydrophobicContact CG2-CG2 3.96Å
93	Y	71.7	Confident	66.5	Low	85 Å²	85	110.1 Å²	110.1	33%	0.333	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	148.1	171.5	-66.6	-91	0	0	0	108.8	T68 Y69 K71 R91	T68-Y93 CarbonylContact C-O 3.57Å; T68-Y93 WeakPolarHBondContact CA-O 3.47Å; Y69-Y93 VanDerWaalsContact CD1-O 3.29Å; Y69-Y93 WeakPolarHBondContact CD1-O 3.39Å; Y69-Y93 PolarHBondContact N-O 3.16Å; Y69-Y93 PolarHBondContact O-N 3.01Å; K71-Y93 HydrophobicContact CB-CD2 3.88Å; K71-Y93 HydrophobicContact CB-CE2 3.91Å; K71-Y93 HydrophobicContact CD-CE2 4.44Å; R91-Y93 HydrophobicContact CB-CD2 4.35Å; R91-Y93 HydrophobicContact CB-CE2 3.62Å; R91-Y93 WeakPolarHBondContact O-CD2 3.38Å
94	M	72.7	Confident	67.3	Low	139 Å²	139	106 Å²	106	69%	0.685	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	139.2	175.8	-69	-174.9	-179.5	0	0	110.2	V66 E67 T68	V66-M94 HydrophobicContact CG1-CB 3.78Å; E67-M94 CarbonylContact O-C 3.59Å; E67-M94 WeakPolarHBondContact O-CA 3.38Å; T68-M94 HydrophobicContact CG2-CE 3.79Å; T68-M94 HydrophobicContact CG2-CG 3.76Å
95	R	69.7	Low	68.5	Low	134 Å²	134	105.2 Å²	105.2	51%	0.506	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.4	171.2	66	-177.1	-173	172.4	2.2	110.7	V66 E67 Y69 R97	V66-R95 CarbonylContact C-O 3.59Å; V66-R95 WeakPolarHBondContact CG1-O 3.36Å; E67-R95 HydrophobicContact CB-CG 4.03Å; E67-R95 PolarHBondContact N-O 2.92Å; E67-R95 PolarHBondContact O-N 3.36Å; E67-R95 IonicContact OE2-CZ 3.32Å; E67-R95 IonicContact OE2-NE 3Å; E67-R95 PolarHBondContact OE2-NE 3.17Å; E67-R95 IonicContact OE2-NH2 3.46Å; E67-R95 PolarHBondContact OE2-NH2 3.43Å; Y69-R95 HydrophobicContact CD1-CB 4.41Å; Y69-R95 HydrophobicContact CD1-CG 4.07Å; Y69-R95 HydrophobicContact CE1-CB 4.11Å; Y69-R95 HydrophobicContact CE1-CG 4.24Å; R95-R97 PolarHBondContact O-N 2.87Å
96	P	65.9	Low	69.6	Low	57 Å²	57	105 Å²	105	37%	0.37	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	137.8	176.5	26.4	-33.6	0	0	0	110.8	E63 Y98	E63-P96 HydrophobicContact CG-CB 4.14Å; P96-Y98 HydrophobicContact CB-CE2 3.93Å; P96-Y98 WeakPolarHBondContact CB-OH 3.39Å; P96-Y98 HydrophobicContact CG-CE2 3.86Å; P96-Y98 VanDerWaalsContact CG-OH 3.29Å; P96-Y98 WeakPolarHBondContact CG-OH 3.27Å
97	R	66.5	Low	70.4	Confident	119 Å²	119	98.9 Å²	98.9	45%	0.449	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	152.2	168.6	-72.3	173.7	59.1	108	-3.4	108.7	E63 D64 G65 E67 R95	E63-R97 WeakPolarHBondContact CA-O 3.42Å; E63-R97 WeakPolarHBondContact CG-O 3.4Å; D64-R97 HydrophobicContact CB-CB 4.33Å; D64-R97 PolarHBondContact N-O 2.87Å; G65-R97 PolarHBondContact O-N 3.3Å; E67-R97 HydrophobicContact CB-CG 3.82Å; E67-R97 IonicContact OE1-CZ 3.02Å; E67-R97 IonicContact OE1-NH1 2.75Å; E67-R97 PolarHBondContact OE1-NH1 3.2Å; R95-R97 PolarHBondContact O-N 2.87Å
98	Y	76.4	Confident	71.1	Confident	131 Å²	131	100.7 Å²	100.7	51%	0.514	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	141.8	176.8	-61.2	-79.8	0	0	0	110.7	V61 V62 E63 P96	V61-Y98 HydrophobicContact CG1-CD1 4.16Å; V61-Y98 HydrophobicContact CG1-CG 4.06Å; V62-Y98 CarbonylContact O-C 3.6Å; V62-Y98 WeakPolarHBondContact O-CA 3.49Å; E63-Y98 HydrophobicContact CB-CD1 4.02Å; E63-Y98 HydrophobicContact CB-CE1 3.84Å; E63-Y98 HydrophobicContact CG-CD1 4.12Å; E63-Y98 HydrophobicContact CG-CE1 3.69Å; E63-Y98 PolarHBondContact OE2-OH 3.49Å; P96-Y98 HydrophobicContact CB-CE2 3.93Å; P96-Y98 WeakPolarHBondContact CB-OH 3.39Å; P96-Y98 HydrophobicContact CG-CE2 3.86Å; P96-Y98 VanDerWaalsContact CG-OH 3.29Å; P96-Y98 WeakPolarHBondContact CG-OH 3.27Å
99	K	74	Confident	71.7	Confident	99 Å²	99	101.6 Å²	101.6	43%	0.43	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	154	173.6	66.4	-173.4	157.8	-155.2	0	110.8	V62 D64	V62-K99 PolarHBondContact N-O 2.91Å; V62-K99 PolarHBondContact O-N 3.45Å; D64-K99 HydrophobicContact CB-CB 4.08Å; D64-K99 HydrophobicContact CB-CD 3.99Å; D64-K99 HydrophobicContact CB-CG 3.94Å; D64-K99 WeakPolarHBondContact OD1-CD 3.31Å; D64-K99 VanDerWaalsContact OD1-CE 3.25Å; D64-K99 WeakPolarHBondContact OD1-CE 3.39Å; D64-K99 IonicContact OD1-NZ 3.4Å; D64-K99 PolarHBondContact OD1-NZ 2.65Å
100	V	77.1	Confident	72.3	Confident	70 Å²	70	106.6 Å²	106.6	42%	0.424	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	115.2	169.9	-177.6	0	0	0	0	108.7	C60	C60-V100 CarbonylContact O-C 3.6Å; C60-V100 WeakPolarHBondContact O-CA 3.26Å
101	A	75.2	Confident	72.7	Confident	33 Å²	33	103 Å²	103	27%	0.273	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	170.4	166.7	0	0	0	0	0	110	S59 C60 V62	S59-A101 CarbonylContact C-O 3.58Å; S59-A101 WeakPolarHBondContact CA-O 3.38Å; C60-A101 PolarHBondContact N-O 3.46Å; C60-A101 PolarHBondContact O-N 3.5Å; V62-A101 HydrophobicContact CG2-CB 3.81Å
102	Y	74.9	Confident	73.3	Confident	172 Å²	172	99 Å²	99	68%	0.675	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.2	126.6	175.1	-62.1	-91.5	0	0	0	109.3	V58	V58-Y102 CarbonylContact O-C 3.49Å; V58-Y102 WeakPolarHBondContact O-CA 3.45Å
103	K	70	Confident	73.7	Confident	128 Å²	128	95.3 Å²	95.3	56%	0.557	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.6	175.6	-176.8	165.4	-177.9	170.9	0	109.4	V58	V58-K103 PolarHBondContact N-O 2.86Å; V58-K103 PolarHBondContact O-N 3.47Å
104	T	72.8	Confident	73.9	Confident	97 Å²	97	101.9 Å²	101.9	60%	0.595	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	129	167.5	36.6	0	0	0	0	109.8	K56 T57	K56-T104 WeakPolarHBondContact O-CA 3.2Å; T57-T104 HydrophobicContact CG2-CG2 3.86Å
105	V	74.8	Confident	73.8	Confident	44 Å²	44	97.6 Å²	97.6	27%	0.267	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.9	172.7	174.4	0	0	0	0	108	K56 V58	K56-V105 PolarHBondContact N-O 3.26Å; K56-V105 PolarHBondContact O-N 2.77Å; V58-V105 HydrophobicContact CG2-CG2 3.66Å
106	T	75.1	Confident	74.1	Confident	95 Å²	95	95.6 Å²	95.6	58%	0.583	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	136.1	176.7	37.3	0	0	0	0	111	V53 L54 T55	V53-T106 HydrophobicContact CG1-CG2 3.59Å; L54-T106 CarbonylContact O-C 3.59Å; L54-T106 VanDerWaalsContact O-CA 3.3Å; L54-T106 WeakPolarHBondContact O-CA 3.4Å; T55-T106 HydrophobicContact CG2-CG2 3.69Å
107	E	71.8	Confident	74.3	Confident	99 Å²	99	95.9 Å²	95.9	46%	0.463	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.3	179.7	-173.9	178.7	-168.8	0	0	109.4	V53 L54 K56	V53-E107 WeakPolarHBondContact CA-O 3.43Å; L54-E107 PolarHBondContact N-O 2.95Å; L54-E107 PolarHBondContact O-N 2.85Å; K56-E107 WeakPolarHBondContact CE-OE2 3.28Å; K56-E107 IonicContact NZ-OE2 3.35Å; K56-E107 PolarHBondContact NZ-OE2 3.36Å
108	M	70.3	Confident	74.3	Confident	130 Å²	130	92.4 Å²	92.4	64%	0.64	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	112.2	177.6	-75.4	-167.8	-70.4	0	0	111.2	A51 F52 V53	A51-M108 HydrophobicContact CB-SD 4.48Å; F52-M108 WeakPolarHBondContact O-CA 3.44Å; V53-M108 HydrophobicContact CG2-CG 4.41Å
109	E	74.9	Confident	73.8	Confident	72 Å²	72	94.9 Å²	94.9	34%	0.336	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.3	175.4	-166.9	-171.4	178.5	0	0	109.6	F52 L54 K111	F52-E109 PolarHBondContact N-O 2.79Å; F52-E109 PolarHBondContact O-N 3.04Å; L54-E109 HydrophobicContact CD1-CB 4.22Å; L54-E109 VanDerWaalsContact CD1-OE2 3.28Å; L54-E109 WeakPolarHBondContact CD1-OE2 3.46Å; L54-E109 HydrophobicContact CG-CB 4.15Å; L54-E109 WeakPolarHBondContact CG-OE2 3.22Å; E109-K111 WeakPolarHBondContact OE1-CE 3.26Å; E109-K111 IonicContact OE1-NZ 2.66Å; E109-K111 PolarHBondContact OE1-NZ 2.9Å; E109-K111 WeakPolarHBondContact OE2-CE 3.39Å; E109-K111 IonicContact OE2-NZ 3.16Å; E109-K111 PolarHBondContact OE2-NZ 2.92Å
110	W	76.4	Confident	73.8	Confident	154 Å²	154	92.8 Å²	92.8	58%	0.583	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.3	178.5	-69.3	87.7	0	0	0	110.9	W49 A51	W49-W110 HydrophobicContact CB-CE3 4.1Å; W49-W110 HydrophobicContact CE3-CB 4.16Å; A51-W110 HydrophobicContact CB-CD2 4.12Å; A51-W110 HydrophobicContact CB-CE3 4.04Å; A51-W110 HydrophobicContact CB-CH2 3.91Å; A51-W110 HydrophobicContact CB-CZ2 3.97Å; A51-W110 HydrophobicContact CB-CZ3 3.95Å
111	K	77.6	Confident	73.6	Confident	85 Å²	85	89.4 Å²	89.4	37%	0.37	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	168.3	176.2	-63.5	179.4	178.9	159.9	0	110.5	W49 C50 F52 E109 C113	W49-K111 WeakPolarHBondContact CA-O 3.2Å; C50-K111 PolarHBondContact N-O 3.35Å; C50-K111 PolarHBondContact O-N 2.87Å; F52-K111 HydrophobicContact CD2-CB 3.82Å; F52-K111 HydrophobicContact CD2-CD 4.35Å; F52-K111 HydrophobicContact CD2-CG 4.24Å; F52-K111 HydrophobicContact CE2-CB 3.73Å; E109-K111 WeakPolarHBondContact OE1-CE 3.26Å; E109-K111 IonicContact OE1-NZ 2.66Å; E109-K111 PolarHBondContact OE1-NZ 2.9Å; E109-K111 WeakPolarHBondContact OE2-CE 3.39Å; E109-K111 IonicContact OE2-NZ 3.16Å; E109-K111 PolarHBondContact OE2-NZ 2.92Å; K111-C113 PolarHBondContact O-N 2.88Å
112	C	80.4	Confident	73.2	Confident	32 Å²	32	91.6 Å²	91.6	22%	0.216	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	135.3	169.4	-51.9	0	0	0	0	110.6	Y116 C121	C112-Y116 WeakPolarHBondContact CB-O 3.41Å; C112-C121 WeakPolarHBondContact CA-SG 3.27Å; C112-C121 HydrophobicContact CB-CB 3.63Å; C112-C121 WeakPolarHBondContact CB-SG 3.22Å; C112-C121 PolarHBondContact N-SG 3.31Å; C112-C121 WeakPolarHBondContact SG-CA 3.49Å; C112-C121 WeakPolarHBondContact SG-CB 3.3Å; C112-C121 CovalentContact SG-SG 2.03Å; C112-C121 PolarHBondContact SG-SG 3.07Å
113	C	80.4	Confident	73	Confident	26 Å²	26	87.4 Å²	87.4	18%	0.176	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-60.4	152.9	170.4	-63.4	0	0	0	0	110.5	N48 C50 K111 G115 Y116	N48-C113 PolarHBondContact O-N 3.09Å; N48-C113 PolarHBondContact O-SG 3.41Å; C50-C113 HydrophobicContact CB-CB 4.06Å; C50-C113 WeakPolarHBondContact CB-SG 3.41Å; C50-C113 PolarHBondContact N-SG 2.86Å; C50-C113 VanDerWaalsContact N-SG 3.37Å; C50-C113 VanDerWaalsContact SG-CA 3.57Å; C50-C113 WeakPolarHBondContact SG-CB 3.44Å; C50-C113 CovalentContact SG-SG 2.04Å; C50-C113 PolarHBondContact SG-SG 3.4Å; K111-C113 PolarHBondContact O-N 2.88Å; C113-G115 PolarHBondContact O-N 3.45Å; C113-Y116 HydrophobicContact CB-CD2 4.4Å; C113-Y116 WeakPolarHBondContact O-CB 3.47Å; C113-Y116 PolarHBondContact O-N 3.19Å
114	Y	75.3	Confident	72.9	Confident	223 Å²	223	82.6 Å²	82.6	88%	0.875	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	128.5	-177.2	-106.1	-91.8	0	0	0	112.2
115	G	70.4	Confident	72	Confident	49 Å²	49	82.6 Å²	82.6	51%	0.505	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	-7.9	-175.5	0	0	0	0	0	115.5	C113 P125	C113-G115 PolarHBondContact O-N 3.45Å; G115-P125 VanDerWaalsContact O-CD 3.26Å; G115-P125 WeakPolarHBondContact O-CD 3.49Å; G115-P125 WeakPolarHBondContact O-CG 3.24Å
116	Y	75.7	Confident	71	Confident	93 Å²	93	85.8 Å²	85.8	37%	0.365	48%	0.479	S	S	.	.			trans	-108.2	149.3	176.5	-65.6	-93.8	0	0	0	112	N48 C112 C113 V123	N48-Y116 HydrophobicContact CB-CD1 4.2Å; N48-Y116 HydrophobicContact CB-CG 4.29Å; N48-Y116 VanDerWaalsContact ND2-CD1 3.32Å; N48-Y116 WeakPolarHBondContact ND2-CD1 3.1Å; N48-Y116 WeakPolarHBondContact ND2-CE1 3.34Å; C112-Y116 WeakPolarHBondContact CB-O 3.41Å; C113-Y116 HydrophobicContact CB-CD2 4.4Å; C113-Y116 WeakPolarHBondContact O-CB 3.47Å; C113-Y116 PolarHBondContact O-N 3.19Å; Y116-V123 CarbonylContact C-O 3.6Å; Y116-V123 WeakPolarHBondContact CA-O 3.27Å
117	S	70.1	Confident	69.6	Low	62 Å²	62	85.1 Å²	85.1	43%	0.434	49%	0.491	S	S	.	.	B	Isolated β-bridge	trans	-153.5	177.8	-174.1	62.6	0	0	0	0	113.1	C121 S122 V123	S117-C121 CarbonylContact O-C 3.52Å; S117-C121 WeakPolarHBondContact O-CA 3.39Å; S117-S122 PolarHBondContact O-N 2.64Å; S117-V123 PolarHBondContact N-O 2.7Å; S117-V123 WeakPolarHBondContact O-CB 3.41Å; S117-V123 PolarHBondContact O-N 2.65Å; S117-V123 PolarHBondContact OG-O 2.98Å
118	G	67.8	Low	67.9	Low	47 Å²	47	84.5 Å²	84.5	49%	0.485	51%	0.511	S	S	.	.	S	Bend	trans	85.1	163.4	-172.9	0	0	0	0	0	112.8	D120 C121	G118-D120 PolarHBondContact O-N 3.38Å; G118-C121 PolarHBondContact O-N 3.19Å
119	E	65.1	Low	66.4	Low	183 Å²	183	83.7 Å²	83.7	86%	0.855	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.7	-174.4	-61.4	-179.7	137.5	0	0	113.9
120	D	73	Confident	64.4	Low	54 Å²	54	83.7 Å²	83.7	29%	0.289	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-1.7	-179.5	-58.6	-23	0	0	0	114	R41 W49 G118 S122	R41-D120 WeakPolarHBondContact CD-OD1 3.42Å; R41-D120 IonicContact CZ-OD1 2.65Å; R41-D120 IonicContact CZ-OD2 3.18Å; R41-D120 IonicContact NE-OD1 3.05Å; R41-D120 PolarHBondContact NE-OD1 3.35Å; R41-D120 IonicContact NE-OD2 3.49Å; R41-D120 PolarHBondContact NE-OD2 2.88Å; R41-D120 IonicContact NH1-OD1 2.76Å; R41-D120 PolarHBondContact NH1-OD1 2.91Å; R41-D120 IonicContact NH1-OD2 2.76Å; R41-D120 PolarHBondContact NH1-OD2 3.48Å; R41-D120 IonicContact NH2-OD2 3.52Å; R41-D120 PolarHBondContact NH2-OD2 2.8Å; W49-D120 PolarHBondContact NE1-O 2.84Å; G118-D120 PolarHBondContact O-N 3.38Å; D120-S122 PolarHBondContact O-N 3.17Å
121	C	73.4	Confident	62.3	Low	0 Å²	0	81.6 Å²	81.6	0%	0	55%	0.553	C	S	.	*	S	Bend	trans	56.1	30.1	-167	-54.1	0	0	0	0	114.3	N48 W49 C112 S117 G118	N48-C121 HydrophobicContact CB-CB 4.13Å; N48-C121 VanDerWaalsContact CB-O 3.28Å; N48-C121 WeakPolarHBondContact CB-O 3.45Å; N48-C121 PolarHBondContact ND2-O 2.83Å; W49-C121 HydrophobicContact CD2-CB 4.34Å; W49-C121 HydrophobicContact CZ2-CB 4.25Å; W49-C121 WeakPolarHBondContact CZ2-SG 3.48Å; C112-C121 WeakPolarHBondContact CA-SG 3.27Å; C112-C121 HydrophobicContact CB-CB 3.63Å; C112-C121 WeakPolarHBondContact CB-SG 3.22Å; C112-C121 PolarHBondContact N-SG 3.31Å; C112-C121 WeakPolarHBondContact SG-CA 3.49Å; C112-C121 WeakPolarHBondContact SG-CB 3.3Å; C112-C121 CovalentContact SG-SG 2.03Å; C112-C121 PolarHBondContact SG-SG 3.07Å; S117-C121 CarbonylContact O-C 3.52Å; S117-C121 WeakPolarHBondContact O-CA 3.39Å; G118-C121 PolarHBondContact O-N 3.19Å
122	S	67.6	Low	60.1	Low	78 Å²	78	86.6 Å²	86.6	55%	0.545	58%	0.578	S	S	.	*			trans	-87.9	-20.3	-177.3	54.3	0	0	0	0	114	S117 D120 G124	S117-S122 PolarHBondContact O-N 2.64Å; D120-S122 PolarHBondContact O-N 3.17Å; S122-G124 PolarHBondContact O-N 2.82Å
123	V	70.8	Confident	57.6	Low	84 Å²	84	89.1 Å²	89.1	51%	0.509	60%	0.601	S	S	.	*	B	Isolated β-bridge	trans	-89.5	90.4	-178.3	-173.4	0	0	0	0	109.7	Y116 S117	Y116-V123 CarbonylContact C-O 3.6Å; Y116-V123 WeakPolarHBondContact CA-O 3.27Å; S117-V123 PolarHBondContact N-O 2.7Å; S117-V123 WeakPolarHBondContact O-CB 3.41Å; S117-V123 PolarHBondContact O-N 2.65Å; S117-V123 PolarHBondContact OG-O 2.98Å
124	G	66.5	Low	55.2	Low	27 Å²	27	92.5 Å²	92.5	28%	0.278	63%	0.625	S	S	.	*			trans	-91.2	179.9	174.9	0	0	0	0	0	114.4	S122 A126	S122-G124 PolarHBondContact O-N 2.82Å; G124-A126 PolarHBondContact O-N 2.89Å
125	P	55.8	Low	53.1	Low	97 Å²	97	90 Å²	90	63%	0.63	63%	0.626	S	S	*	*			trans	-68.7	129.8	179.9	-16.2	31.7	0	0	0	111.5	G115 G127	G115-P125 VanDerWaalsContact O-CD 3.26Å; G115-P125 WeakPolarHBondContact O-CD 3.49Å; G115-P125 WeakPolarHBondContact O-CG 3.24Å; P125-G127 PolarHBondContact O-N 2.88Å
126	A	52.8	Low	51	Low	112 Å²	112	91.6 Å²	91.6	93%	0.926	64%	0.643	S	S	*	*			trans	-84.1	110.5	-175.8	0	0	0	0	0	112.7	G124	G124-A126 PolarHBondContact O-N 2.89Å
127	G	44.8	Very low	49	Very low	80 Å²	80	92.6 Å²	92.6	83%	0.825	67%	0.67	S	S	*	*			trans	162.3	136.9	163	0	0	0	0	0	116.2	P125	P125-G127 PolarHBondContact O-N 2.88Å
128	G	36.8	Very low	47	Very low	87 Å²	87	93.4 Å²	93.4	90%	0.897	69%	0.689	S	S	*	*			trans	106.7	114.2	162.7	0	0	0	0	0	116
129	A	38.7	Very low	45.3	Very low	113 Å²	113	98.4 Å²	98.4	93%	0.934	71%	0.71	S	S	*	*			trans	-117.4	145.6	168.2	0	0	0	0	0	109.9
130	G	33.5	Very low	43.5	Very low	72 Å²	72	93.5 Å²	93.5	74%	0.742	71%	0.709	S	S	*	*			trans	-179.5	87.3	-178.3	0	0	0	0	0	117.4
131	S	31.9	Very low	41.7	Very low	109 Å²	109	99.1 Å²	99.1	76%	0.762	74%	0.739	S	S	*	*			trans	39.6	119.6	130.9	-62.6	0	0	0	0	123.8
132	H	31.7	Very low	39.5	Very low	191 Å²	191	102.5 Å²	102.5	88%	0.884	77%	0.773	S	S	*	*			trans	75.5	144.5	132.3	-76.7	-76.4	0	0	0	124.4
133	A	26.9	Very low	38	Very low	85 Å²	85	104.8 Å²	104.8	70%	0.702	79%	0.789	S	S	*	*			trans	84.4	91.3	142	0	0	0	0	0	123
134	S	30.1	Very low	35.9	Very low	97 Å²	97	104.1 Å²	104.1	68%	0.678	80%	0.799	S	S	*	*				37.2	138.1	118.7	63.8	0	0	0	0	124.5
135	N	30.9	Very low	34.4	Very low	169 Å²	169	109.7 Å²	109.7	90%	0.904	83%	0.829	S	S	*	*			trans	73.9	139.8	146.9	-64.3	-2.5	0	0	0	120.6
136	G	26.8	Very low	33.1	Very low	84 Å²	84	108.6 Å²	108.6	87%	0.866	84%	0.835	S	S	*	*			trans	162.8	132.2	166.2	0	0	0	0	0	112.4
137	A	33.5	Very low	32.4	Very low	113 Å²	113	111.9 Å²	111.9	93%	0.934	83%	0.831	S	S	*	*			trans	-128	159.9	177.7	0	0	0	0	0	111
138	G	27.8	Very low	32.1	Very low	80 Å²	80	115 Å²	115	83%	0.825	83%	0.829	S	S	*	*			trans	-161.9	133.8	177.8	0	0	0	0	0	113.1
139	T	32.5	Very low	31.7	Very low	151 Å²	151	114.3 Å²	114.3	93%	0.926	82%	0.821	S	S	*	*			trans	-119.4	151.5	-175	49.9	0	0	0	0	112
140	G	27.5	Very low	32	Very low	80 Å²	80	112.4 Å²	112.4	83%	0.825	81%	0.813	S	S	*	*			trans	-155.5	147.6	169.8	0	0	0	0	0	111.4
141	N	35.3	Very low	32	Very low	173 Å²	173	121 Å²	121	93%	0.925	82%	0.823	S	S	*	*			trans	-151.4	156	-169.8	-168.6	14.4	0	0	0	111.6
142	G	27.1	Very low	32.3	Very low	70 Å²	70	124.4 Å²	124.4	72%	0.722	83%	0.827	S	S	*	*			trans	-172.8	149.2	179	0	0	0	0	0	113.2
143	S	36.3	Very low	32.7	Very low	126 Å²	126	121.1 Å²	121.1	88%	0.881	82%	0.816	S	S	*	*			trans	-151.8	159	-167.2	-178.8	0	0	0	0	113.5
144	G	27.3	Very low	33.2	Very low	70 Å²	70	127.7 Å²	127.7	72%	0.722	82%	0.823	S	S	*	*			trans	-169.8	149.9	173.8	0	0	0	0	0	112.8
145	T	34.4	Very low	33.5	Very low	145 Å²	145	129.4 Å²	129.4	89%	0.89	82%	0.82	S	S	*	*			trans	-145.4	156.3	-166	52.3	0	0	0	0	114
146	G	29.1	Very low	33.9	Very low	74 Å²	74	126.6 Å²	126.6	76%	0.763	80%	0.801	S	S	*	*			trans	-177.7	156.8	173.4	0	0	0	0	0	115.4
147	Q	37.6	Very low	34.6	Very low	181 Å²	181	127.6 Å²	127.6	85%	0.846	79%	0.786	S	S	*	*			trans	-153.6	-177.3	-179.4	-49.7	-176.9	-6.5	0	0	109.1
148	N	38.2	Very low	34.8	Very low	145 Å²	145	129 Å²	129	78%	0.775	77%	0.767	S	S	*	*			cis	-159.6	166.8	2.5	-154.2	-55.2	0	0	0	109
149	G	29.4	Very low	35.1	Very low	72 Å²	72	130.1 Å²	130.1	74%	0.742	75%	0.749	S	S	*	*			trans	155.9	135.4	158.9	0	0	0	0	0	118.5
150	G	44.3	Very low	35.6	Very low	74 Å²	74	127.9 Å²	127.9	76%	0.763	73%	0.731	S	S	*	*			trans	-178.8	133.5	166.6	0	0	0	0	0	112.4
151	R	33.7	Very low	36.1	Very low	251 Å²	251	130 Å²	130	95%	0.947	72%	0.719	S	S	*	*			trans	-170.1	22.4	175.8	-142.6	-172.4	174.8	172.9	-0.8	117.6
152	Q	37.2	Very low	36.1	Very low	181 Å²	181	126.6 Å²	126.6	85%	0.846	70%	0.698	S	S	*	*			trans	-108.4	-9.5	-165	-165.9	153.7	-31.7	0	0	115.3	R154	Q152-R154 PolarHBondContact O-N 2.84Å
153	D	40.9	Very low	36.6	Very low	122 Å²	122	129 Å²	129	65%	0.652	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-7.5	-152	-40.5	-78.4	0	0	0	114.3	E155	D153-E155 PolarHBondContact O-N 2.82Å
154	R	38.6	Very low	36.9	Very low	223 Å²	223	127.9 Å²	127.9	84%	0.842	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-16.7	-163	-157	169.8	-172.7	167.5	4.4	115.6	Q152	Q152-R154 PolarHBondContact O-N 2.84Å
155	E	34.9	Very low	37.2	Very low	133 Å²	133	131.3 Å²	131.3	62%	0.621	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-24.3	-174.8	-159.9	62.6	-148.6	0	0	113.5	D153	D153-E155 PolarHBondContact O-N 2.82Å
156	E	38.7	Very low	37.3	Very low	111 Å²	111	130.7 Å²	130.7	52%	0.519	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.8	-25.8	178	-69.9	-57.9	124.9	0	0	112.8	R158 K159 L160	E156-R158 PolarHBondContact O-N 2.93Å; E156-K159 WeakPolarHBondContact O-CB 3.47Å; E156-K159 PolarHBondContact O-N 2.91Å; E156-K159 IonicContact OE1-NZ 3.63Å; E156-K159 PolarHBondContact OE1-NZ 2.76Å; E156-K159 VanDerWaalsContact OE2-CD 3.23Å; E156-K159 WeakPolarHBondContact OE2-CD 3.48Å; E156-K159 IonicContact OE2-NZ 2.58Å; E156-K159 PolarHBondContact OE2-NZ 3Å; E156-L160 PolarHBondContact O-N 3.03Å
157	I	43.2	Very low	37.8	Very low	105 Å²	105	133 Å²	133	54%	0.538	64%	0.644	S	S	.	*	H	α-helix	trans	-51.7	-44.7	177	-61.6	171.3	0	0	0	110.8	K159 L160	I157-K159 PolarHBondContact O-N 3.39Å; I157-L160 VanDerWaalsContact O-CB 3.29Å; I157-L160 WeakPolarHBondContact O-CB 3.33Å; I157-L160 PolarHBondContact O-N 3.26Å
158	R	37.9	Very low	37.8	Very low	143 Å²	143	128.5 Å²	128.5	54%	0.54	63%	0.629	S	S	.	*	H	α-helix	trans	-71.4	-11.8	-178.8	-150.7	-170.8	64	69.2	-1.5	114.2	E156	E156-R158 PolarHBondContact O-N 2.93Å
159	K	34	Very low	37.6	Very low	103 Å²	103	128.2 Å²	128.2	45%	0.448	62%	0.623	S	S	.	*	H	α-helix	trans	-91.5	-17.4	169.7	-69.5	167.3	177.6	169.2	0	112.4	E156 I157 K163	E156-K159 WeakPolarHBondContact O-CB 3.47Å; E156-K159 PolarHBondContact O-N 2.91Å; E156-K159 IonicContact OE1-NZ 3.63Å; E156-K159 PolarHBondContact OE1-NZ 2.76Å; E156-K159 VanDerWaalsContact OE2-CD 3.23Å; E156-K159 WeakPolarHBondContact OE2-CD 3.48Å; E156-K159 IonicContact OE2-NZ 2.58Å; E156-K159 PolarHBondContact OE2-NZ 3Å; I157-K159 PolarHBondContact O-N 3.39Å; K159-K163 WeakPolarHBondContact O-CG 3.32Å
160	L	42.5	Very low	38	Very low	104 Å²	104	132 Å²	132	55%	0.545	62%	0.619	S	S	.	*	H	α-helix	trans	-76.2	-42.1	-178.2	-150.6	69.6	0	0	0	110.7	E156 I157 E162 K163 I164	E156-L160 PolarHBondContact O-N 3.03Å; I157-L160 VanDerWaalsContact O-CB 3.29Å; I157-L160 WeakPolarHBondContact O-CB 3.33Å; I157-L160 PolarHBondContact O-N 3.26Å; L160-E162 PolarHBondContact O-N 2.97Å; L160-K163 WeakPolarHBondContact O-CA 3.49Å; L160-K163 WeakPolarHBondContact O-CB 3.41Å; L160-K163 PolarHBondContact O-N 3.05Å; L160-I164 WeakPolarHBondContact O-CG1 3.29Å; L160-I164 PolarHBondContact O-N 3.16Å
161	E	36.8	Very low	37.8	Very low	124 Å²	124	134.5 Å²	134.5	58%	0.579	61%	0.614	S	S	*	*	H	α-helix	trans	-54.2	-49.1	175.3	-62.2	175.5	128.2	0	0	112	K163 I164 Q165	E161-K163 PolarHBondContact O-N 2.86Å; E161-I164 PolarHBondContact O-N 2.81Å; E161-Q165 PolarHBondContact O-N 2.86Å
162	E	36.2	Very low	37.9	Very low	102 Å²	102	129.3 Å²	129.3	48%	0.477	60%	0.601	S	S	.	*	H	α-helix	trans	-69.9	-12.4	177	-53.8	-173.1	-170.3	0	0	114.1	L160 R166	L160-E162 PolarHBondContact O-N 2.97Å; E162-R166 PolarHBondContact O-NE 2.67Å; E162-R166 PolarHBondContact O-NH2 2.95Å; E162-R166 IonicContact OE2-CZ 3.51Å; E162-R166 IonicContact OE2-NH2 2.64Å; E162-R166 PolarHBondContact OE2-NH2 3.44Å
163	K	38.1	Very low	37.7	Very low	121 Å²	121	126 Å²	126	53%	0.526	59%	0.589	S	S	.	*	H	α-helix	trans	-87.4	-41.6	173.9	-76.5	174.4	177.7	178.6	0	111.1	K159 L160 E161 Q165 R166 L167	K159-K163 WeakPolarHBondContact O-CG 3.32Å; L160-K163 WeakPolarHBondContact O-CA 3.49Å; L160-K163 WeakPolarHBondContact O-CB 3.41Å; L160-K163 PolarHBondContact O-N 3.05Å; E161-K163 PolarHBondContact O-N 2.86Å; K163-Q165 VanDerWaalsContact C-N 3.3Å; K163-Q165 PolarHBondContact O-N 2.9Å; K163-R166 CarbonylContact O-C 3.57Å; K163-R166 PolarHBondContact O-N 2.64Å; K163-L167 PolarHBondContact O-N 2.95Å
164	I	42.5	Very low	37.7	Very low	101 Å²	101	126.6 Å²	126.6	52%	0.518	59%	0.586	S	S	.	*	H	α-helix	trans	-54.7	-47.8	176.8	-68	162.6	0	0	0	110.1	L160 E161 R166 L167 T168	L160-I164 WeakPolarHBondContact O-CG1 3.29Å; L160-I164 PolarHBondContact O-N 3.16Å; E161-I164 PolarHBondContact O-N 2.81Å; I164-R166 PolarHBondContact O-N 2.82Å; I164-R166 VanDerWaalsContact O-N 3.16Å; I164-L167 PolarHBondContact O-N 2.86Å; I164-T168 PolarHBondContact O-N 3.05Å; I164-T168 PolarHBondContact O-OG1 3.48Å
165	Q	33.6	Very low	37.4	Very low	142 Å²	142	122.3 Å²	122.3	66%	0.664	58%	0.576	S	S	*	*	H	α-helix	trans	-54.5	-36.4	176.9	-156.4	75.1	31.5	0	0	113.4	E161 K163	E161-Q165 PolarHBondContact O-N 2.86Å; K163-Q165 VanDerWaalsContact C-N 3.3Å; K163-Q165 PolarHBondContact O-N 2.9Å
166	R	37.2	Very low	37.3	Very low	133 Å²	133	119.1 Å²	119.1	50%	0.502	57%	0.568	S	S	.	*	H	α-helix	trans	-89.5	-9.4	-178.5	-75.6	178.3	-78.2	-144.5	-4	113.9	E162 K163 I164	E162-R166 PolarHBondContact O-NE 2.67Å; E162-R166 PolarHBondContact O-NH2 2.95Å; E162-R166 IonicContact OE2-CZ 3.51Å; E162-R166 IonicContact OE2-NH2 2.64Å; E162-R166 PolarHBondContact OE2-NH2 3.44Å; K163-R166 CarbonylContact O-C 3.57Å; K163-R166 PolarHBondContact O-N 2.64Å; I164-R166 PolarHBondContact O-N 2.82Å; I164-R166 VanDerWaalsContact O-N 3.16Å
167	L	38.3	Very low	37.1	Very low	122 Å²	122	117.6 Å²	117.6	64%	0.639	57%	0.566	S	S	*	*	H	α-helix	trans	-79.5	-43.1	168	-117.4	73.9	0	0	0	110.4	K163 I164 E169 K170 L171	K163-L167 PolarHBondContact O-N 2.95Å; I164-L167 PolarHBondContact O-N 2.86Å; L167-E169 PolarHBondContact O-N 3.03Å; L167-K170 PolarHBondContact O-N 2.9Å; L167-K170 VanDerWaalsContact O-N 3.1Å; L167-L171 PolarHBondContact O-N 2.95Å
168	T	37.3	Very low	36.8	Very low	87 Å²	87	118.4 Å²	118.4	53%	0.534	57%	0.569	S	S	.	*	H	α-helix	trans	-57.4	-45.2	-177.9	-51.1	0	0	0	0	112.5	I164 K170 L171 Q172	I164-T168 PolarHBondContact O-N 3.05Å; I164-T168 PolarHBondContact O-OG1 3.48Å; T168-K170 VanDerWaalsContact C-N 3.3Å; T168-K170 PolarHBondContact O-N 3.39Å; T168-L171 PolarHBondContact O-N 3.43Å; T168-Q172 PolarHBondContact O-N 2.88Å
169	E	35.1	Very low	36.6	Very low	138 Å²	138	117.2 Å²	117.2	65%	0.645	57%	0.574	S	S	*	*	H	α-helix	trans	-61.2	-36.2	177.4	-66.3	-179.9	134.4	0	0	112.6	L167 D173	L167-E169 PolarHBondContact O-N 3.03Å; E169-D173 PolarHBondContact O-N 2.94Å
170	K	37.4	Very low	36.5	Very low	153 Å²	153	119.9 Å²	119.9	67%	0.665	59%	0.588	S	S	*	*	H	α-helix	trans	-78.7	-32.7	-178.3	-72.2	-174.3	172.4	-170.8	0	113.9	L167 T168 Q172 D173 F174	L167-K170 PolarHBondContact O-N 2.9Å; L167-K170 VanDerWaalsContact O-N 3.1Å; T168-K170 VanDerWaalsContact C-N 3.3Å; T168-K170 PolarHBondContact O-N 3.39Å; K170-Q172 VanDerWaalsContact C-N 3.26Å; K170-Q172 PolarHBondContact O-N 3.23Å; K170-D173 PolarHBondContact O-N 3.35Å; K170-F174 PolarHBondContact O-N 3.5Å
171	L	38.9	Very low	36.2	Very low	125 Å²	125	122.6 Å²	122.6	65%	0.654	60%	0.597	S	S	*	*	H	α-helix	trans	-66.3	-36.1	178.1	-153	157.3	0	0	0	110.2	L167 T168 Q175	L167-L171 PolarHBondContact O-N 2.95Å; T168-L171 PolarHBondContact O-N 3.43Å; L171-Q175 PolarHBondContact O-N 3.35Å
172	Q	36.1	Very low	36	Very low	142 Å²	142	123.9 Å²	123.9	66%	0.664	61%	0.607	S	S	*	*	H	α-helix	trans	-69.7	-35.2	175	-151.9	164.2	23.4	0	0	112.8	T168 K170	T168-Q172 PolarHBondContact O-N 2.88Å; K170-Q172 VanDerWaalsContact C-N 3.26Å; K170-Q172 PolarHBondContact O-N 3.23Å
173	D	33.8	Very low	35.8	Very low	112 Å²	112	127.2 Å²	127.2	60%	0.599	62%	0.622	S	S	*	*	H	α-helix	trans	-67.2	-47.3	175	-160	38.3	0	0	0	111.5	E169 K170 Q175 S176 T177	E169-D173 PolarHBondContact O-N 2.94Å; K170-D173 PolarHBondContact O-N 3.35Å; D173-Q175 VanDerWaalsContact C-N 3.32Å; D173-Q175 PolarHBondContact O-N 2.87Å; D173-S176 WeakPolarHBondContact O-CB 3.26Å; D173-S176 PolarHBondContact O-N 2.83Å; D173-S176 VanDerWaalsContact O-N 3.11Å; D173-S176 PolarHBondContact O-OG 2.88Å; D173-T177 PolarHBondContact O-OG1 2.78Å
174	F	39.8	Very low	35.5	Very low	135 Å²	135	129.8 Å²	129.8	59%	0.592	64%	0.636	S	S	*	*	H	α-helix	trans	-63.6	-33.4	178.3	-167	-99.9	0	0	0	113.5	K170 S176 T177 M178	K170-F174 PolarHBondContact O-N 3.5Å; F174-S176 PolarHBondContact O-N 3.42Å; F174-T177 PolarHBondContact O-N 3.22Å; F174-M178 HydrophobicContact CD1-CE 4.32Å; F174-M178 HydrophobicContact CE1-CE 4.05Å; F174-M178 HydrophobicContact CE1-CG 4.27Å; F174-M178 HydrophobicContact CE1-SD 4.07Å; F174-M178 PolarHBondContact O-N 3.16Å
175	Q	33	Very low	34.9	Very low	133 Å²	133	134 Å²	134	62%	0.621	65%	0.654	S	S	*	*	H	α-helix	trans	-65.5	-26.6	176.5	-166.2	174.2	22.9	0	0	112.5	L171 D173	L171-Q175 PolarHBondContact O-N 3.35Å; D173-Q175 VanDerWaalsContact C-N 3.32Å; D173-Q175 PolarHBondContact O-N 2.87Å
176	S	33.5	Very low	35	Very low	66 Å²	66	135.3 Å²	135.3	46%	0.462	66%	0.664	S	S	.	*	H	α-helix	trans	-72	-41.5	173.4	77.5	0	0	0	0	111.9	D173 F174 M178 N179	D173-S176 WeakPolarHBondContact O-CB 3.26Å; D173-S176 PolarHBondContact O-N 2.83Å; D173-S176 VanDerWaalsContact O-N 3.11Å; D173-S176 PolarHBondContact O-OG 2.88Å; F174-S176 PolarHBondContact O-N 3.42Å; S176-M178 PolarHBondContact O-N 2.91Å; S176-N179 PolarHBondContact O-N 3.16Å
177	T	34.3	Very low	34.9	Very low	79 Å²	79	134.9 Å²	134.9	49%	0.485	68%	0.676	S	S	.	*	H	α-helix	trans	-68.2	-36.1	-171.5	-24	0	0	0	0	112.8	D173 F174 N179	D173-T177 PolarHBondContact O-OG1 2.78Å; F174-T177 PolarHBondContact O-N 3.22Å; T177-N179 VanDerWaalsContact C-N 3.32Å; T177-N179 PolarHBondContact O-N 2.7Å
178	M	37.3	Very low	34.4	Very low	121 Å²	121	140.3 Å²	140.3	60%	0.596	69%	0.688	S	S	*	*	H	α-helix	trans	-68.9	-30	175.9	-72.4	-159.1	-66.2	0	0	113	F174 S176 H181	F174-M178 HydrophobicContact CD1-CE 4.32Å; F174-M178 HydrophobicContact CE1-CE 4.05Å; F174-M178 HydrophobicContact CE1-CG 4.27Å; F174-M178 HydrophobicContact CE1-SD 4.07Å; F174-M178 PolarHBondContact O-N 3.16Å; S176-M178 PolarHBondContact O-N 2.91Å; M178-H181 PolarHBondContact O-N 2.87Å
179	N	32.1	Very low	34.6	Very low	118 Å²	118	142.2 Å²	142.2	63%	0.631	70%	0.702	S	S	*	*	H	α-helix	trans	-76.8	-24.4	-175	-154.4	37.2	0	0	0	112.7	S176 T177	S176-N179 PolarHBondContact O-N 3.16Å; T177-N179 VanDerWaalsContact C-N 3.32Å; T177-N179 PolarHBondContact O-N 2.7Å
180	E	33.7	Very low	34.8	Very low	160 Å²	160	139.2 Å²	139.2	75%	0.748	71%	0.708	S	S	*	*	H	α-helix	trans	-73.8	-32.8	171.3	-65.1	-164	133.7	0	0	112.6	L182	E180-L182 PolarHBondContact O-N 2.86Å
181	H	35.9	Very low	34.4	Very low	161 Å²	161	142 Å²	142	75%	0.745	72%	0.72	S	S	*	*	H	α-helix	trans	-71.9	-32.3	-172.9	-144	70.8	0	0	0	113.3	M178 H183	M178-H181 PolarHBondContact O-N 2.87Å; H181-H183 PolarHBondContact O-N 3.33Å
182	L	32.1	Very low	34.2	Very low	150 Å²	150	142.7 Å²	142.7	79%	0.785	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-17	-174.8	-161.8	66.3	0	0	0	113.9	E180	E180-L182 PolarHBondContact O-N 2.86Å
183	H	32.1	Very low	34.1	Very low	172 Å²	172	142.4 Å²	142.4	80%	0.796	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-5.4	-174.3	-99.6	-59.6	0	0	0	115.5	H181	H181-H183 PolarHBondContact O-N 3.33Å
184	H	31.6	Very low	34.1	Very low	176 Å²	176	140.9 Å²	140.9	82%	0.815	74%	0.738	S	S	*	*	S	Bend	trans	-105.8	-7.7	-166.2	-146.9	-60.8	0	0	0	116.5
185	E	29.4	Very low	34.1	Very low	190 Å²	190	140.1 Å²	140.1	89%	0.888	74%	0.74	S	S	*	*	S	Bend	trans	-97	-3.9	-176.5	-73.7	-147.7	118.8	0	0	116.2	V187	E185-V187 PolarHBondContact O-N 3.29Å
186	L	36	Very low	34.4	Very low	169 Å²	169	139 Å²	139	89%	0.885	75%	0.753	S	S	*	*			trans	-100	77.1	174.8	-68.9	178.2	0	0	0	112.3
187	V	35.8	Very low	34.4	Very low	124 Å²	124	138.1 Å²	138.1	75%	0.752	75%	0.75	S	S	*	*	S	Bend	trans	173	94.2	144.4	149.8	0	0	0	0	112.6	E185	E185-V187 PolarHBondContact O-N 3.29Å
188	R	28.4	Very low	34.8	Very low	235 Å²	235	138.1 Å²	138.1	89%	0.887	75%	0.752	S	S	*	*				172.2	153	123	-94.4	167.5	-164.5	-124.4	-2.1	112.7
189	P	39.9	Very low	35.2	Very low	128 Å²	128	134 Å²	134	83%	0.831	73%	0.733	S	S	*	*			trans	-99.1	154.9	-170.8	37.7	-35	0	0	0	114.9
190	G	39.7	Very low	35.7	Very low	74 Å²	74	134 Å²	134	76%	0.763	73%	0.73	S	S	*	*			trans	108.4	94	145.4	0	0	0	0	0	117.6
191	K	28.6	Very low	36.2	Very low	211 Å²	211	130.3 Å²	130.3	92%	0.917	71%	0.714	S	S	*	*			trans	-160.2	155.9	146.3	-106.5	165.9	-172.8	-176.6	0	109.2
192	N	34.8	Very low	36.6	Very low	141 Å²	141	126.7 Å²	126.7	75%	0.754	70%	0.696	S	S	*	*			trans	-77.8	145.1	-172.5	-72.5	-6.9	0	0	0	112.2	A194	N192-A194 PolarHBondContact O-N 3.38Å
193	P	35	Very low	37.3	Very low	135 Å²	135	122.5 Å²	122.5	88%	0.877	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	61.6	-178.4	35.4	-37.2	0	0	0	112
194	A	33.8	Very low	38.1	Very low	80 Å²	80	116.8 Å²	116.8	66%	0.661	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.3	-7.6	-177.6	0	0	0	0	0	114.4	N192	N192-A194 PolarHBondContact O-N 3.38Å
195	D	39.1	Very low	38.9	Very low	119 Å²	119	110.3 Å²	110.3	64%	0.636	62%	0.621	S	S	*	*			trans	-101.6	-2.1	-174.7	-79.7	-58.8	0	0	0	114.7	A197 K202	D195-A197 PolarHBondContact O-N 2.91Å; D195-K202 IonicContact OD1-NZ 2.85Å; D195-K202 PolarHBondContact OD1-NZ 3.31Å
196	A	39.7	Very low	39.7	Very low	109 Å²	109	106.7 Å²	106.7	90%	0.901	60%	0.604	S	S	*	*			trans	-84	43	-177.3	0	0	0	0	0	113.8
197	A	33.3	Very low	40.3	Very low	48 Å²	48	100.9 Å²	100.9	40%	0.397	58%	0.578	S	S	.	*	S	Bend	trans	-115.5	143	-179.6	0	0	0	0	0	111.5	D195	D195-A197 PolarHBondContact O-N 2.91Å
198	P	43.3	Very low	40.9	Very low	80 Å²	80	99 Å²	99	52%	0.519	56%	0.562	S	S	.	*			trans	-55.3	140	-177.8	-28	35.7	0	0	0	113.8	E200 I201 K202	P198-E200 VanDerWaalsContact C-N 3.33Å; P198-E200 PolarHBondContact O-N 2.91Å; P198-I201 PolarHBondContact O-N 3.18Å; P198-K202 PolarHBondContact O-N 3.2Å
199	P	46.3	Very low	41.8	Very low	33 Å²	33	92.1 Å²	92.1	21%	0.214	54%	0.54	C	S	.	.	H	α-helix	trans	-65.3	-32.9	-167.3	24.6	-34.2	0	0	0	113.8	I201 K202 E203 T474	P199-I201 VanDerWaalsContact C-N 3.31Å; P199-I201 PolarHBondContact O-N 2.94Å; P199-K202 WeakPolarHBondContact O-CB 3.38Å; P199-K202 PolarHBondContact O-N 3.24Å; P199-K202 VanDerWaalsContact O-N 3.13Å; P199-E203 PolarHBondContact O-N 3.42Å; P199-T474 HydrophobicContact CB-CG2 4Å; P199-T474 HydrophobicContact CG-CG2 4.2Å
200	E	42.3	Very low	42.7	Very low	118 Å²	118	89.9 Å²	89.9	55%	0.551	53%	0.525	S	S	*	.	H	α-helix	trans	-66.8	-31.4	-177.9	-56.3	-176.2	133.5	0	0	112.6	P198 T204 T474	P198-E200 VanDerWaalsContact C-N 3.33Å; P198-E200 PolarHBondContact O-N 2.91Å; E200-T204 PolarHBondContact O-N 3.43Å; E200-T204 VanDerWaalsContact O-N 3.12Å; E200-T204 PolarHBondContact O-OG1 3.12Å; E200-T474 HydrophobicContact CG-CG2 4.22Å
201	I	43.9	Very low	43.3	Very low	83 Å²	83	92 Å²	92	43%	0.426	51%	0.513	S	S	.	.	H	α-helix	trans	-74.4	-35	174.1	-63.2	172.4	0	0	0	110.2	P198 P199 E203 T204 I205	P198-I201 PolarHBondContact O-N 3.18Å; P199-I201 VanDerWaalsContact C-N 3.31Å; P199-I201 PolarHBondContact O-N 2.94Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 2.84Å; I201-T204 WeakPolarHBondContact CA-OG1 3.46Å; I201-T204 PolarHBondContact O-N 3.17Å; I201-T204 PolarHBondContact O-OG1 3.21Å; I201-T204 VanDerWaalsContact O-OG1 3.05Å; I201-I205 HydrophobicContact CG2-CD1 3.86Å; I201-I205 HydrophobicContact CG2-CG1 4.48Å; I201-I205 WeakPolarHBondContact O-CB 3.45Å; I201-I205 VanDerWaalsContact O-CG1 3.26Å; I201-I205 WeakPolarHBondContact O-CG1 3.43Å; I201-I205 PolarHBondContact O-N 3.31Å
202	K	44.8	Very low	44.3	Very low	85 Å²	85	85 Å²	85	37%	0.37	49%	0.485	S	S	.	.	H	α-helix	trans	-66.4	-36.6	175.5	-148.7	169.2	-167.6	169.4	0	111.5	D195 P198 P199 H206	D195-K202 IonicContact OD1-NZ 2.85Å; D195-K202 PolarHBondContact OD1-NZ 3.31Å; P198-K202 PolarHBondContact O-N 3.2Å; P199-K202 WeakPolarHBondContact O-CB 3.38Å; P199-K202 PolarHBondContact O-N 3.24Å; P199-K202 VanDerWaalsContact O-N 3.13Å; K202-H206 WeakPolarHBondContact O-CB 3.49Å; K202-H206 PolarHBondContact O-N 3Å
203	E	45.6	Very low	45	Very low	62 Å²	62	82.6 Å²	82.6	29%	0.29	47%	0.472	S	S	.	.	H	α-helix	trans	-72.3	-37.1	175.8	-74.5	177.5	-160.4	0	0	113.1	P199 I201 S207 R478	P199-E203 PolarHBondContact O-N 3.42Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 2.84Å; E203-S207 VanDerWaalsContact O-CB 3.26Å; E203-S207 WeakPolarHBondContact O-CB 2.9Å; E203-S207 PolarHBondContact O-N 2.67Å; E203-R478 IonicContact OE1-CZ 3.54Å; E203-R478 IonicContact OE1-NE 3.78Å; E203-R478 PolarHBondContact OE1-NE 2.89Å; E203-R478 IonicContact OE1-NH2 2.71Å; E203-R478 PolarHBondContact OE1-NH2 3.43Å
204	T	49.1	Very low	45.8	Very low	53 Å²	53	82 Å²	82	33%	0.325	46%	0.457	S	S	.	.	H	α-helix	trans	-68.7	-39.1	172.1	53.1	0	0	0	0	112.2	E200 I201 S207 I208	E200-T204 PolarHBondContact O-N 3.43Å; E200-T204 VanDerWaalsContact O-N 3.12Å; E200-T204 PolarHBondContact O-OG1 3.12Å; I201-T204 WeakPolarHBondContact CA-OG1 3.46Å; I201-T204 PolarHBondContact O-N 3.17Å; I201-T204 PolarHBondContact O-OG1 3.21Å; I201-T204 VanDerWaalsContact O-OG1 3.05Å; T204-S207 WeakPolarHBondContact O-CB 3.42Å; T204-S207 PolarHBondContact O-N 3.3Å; T204-I208 VanDerWaalsContact O-CG1 3.31Å; T204-I208 WeakPolarHBondContact O-CG1 3.33Å; T204-I208 PolarHBondContact O-N 3.05Å
205	I	49.3	Very low	46.5	Very low	40 Å²	40	82.9 Å²	82.9	21%	0.205	45%	0.451	C	S	.	.	H	α-helix	trans	-61.7	-47.5	173.2	-70.6	168	0	0	0	111.2	I201 S207 I208 Q209	I201-I205 HydrophobicContact CG2-CD1 3.86Å; I201-I205 HydrophobicContact CG2-CG1 4.48Å; I201-I205 WeakPolarHBondContact O-CB 3.45Å; I201-I205 VanDerWaalsContact O-CG1 3.26Å; I201-I205 WeakPolarHBondContact O-CG1 3.43Å; I201-I205 PolarHBondContact O-N 3.31Å; I205-S207 VanDerWaalsContact C-N 3.33Å; I205-S207 PolarHBondContact O-N 2.88Å; I205-I208 PolarHBondContact O-N 3.46Å; I205-Q209 HydrophobicContact CG2-CG 4.42Å; I205-Q209 WeakPolarHBondContact O-CB 3.45Å; I205-Q209 WeakPolarHBondContact O-CG 3.46Å; I205-Q209 PolarHBondContact O-N 3.32Å
206	H	45.8	Very low	47	Very low	113 Å²	113	80.1 Å²	80.1	52%	0.523	44%	0.436	S	S	.	.	H	α-helix	trans	-65.4	-32.2	175.4	-84.2	-18.9	0	0	0	113.2	K202 Q209 T210	K202-H206 WeakPolarHBondContact O-CB 3.49Å; K202-H206 PolarHBondContact O-N 3Å; H206-Q209 PolarHBondContact ND1-OE1 3.2Å; H206-T210 WeakPolarHBondContact O-CB 3.3Å; H206-T210 WeakPolarHBondContact O-CG2 3.43Å; H206-T210 PolarHBondContact O-N 3.49Å; H206-T210 PolarHBondContact O-OG1 3.35Å
207	S	47.8	Very low	47.6	Very low	47 Å²	47	80 Å²	80	33%	0.329	42%	0.42	S	S	.	.	H	α-helix	trans	-66.2	-38.8	172.2	-173.3	0	0	0	0	112.1	E203 T204 I205 T210 K211	E203-S207 VanDerWaalsContact O-CB 3.26Å; E203-S207 WeakPolarHBondContact O-CB 2.9Å; E203-S207 PolarHBondContact O-N 2.67Å; T204-S207 WeakPolarHBondContact O-CB 3.42Å; T204-S207 PolarHBondContact O-N 3.3Å; I205-S207 VanDerWaalsContact C-N 3.33Å; I205-S207 PolarHBondContact O-N 2.88Å; S207-T210 PolarHBondContact O-OG1 2.74Å; S207-K211 WeakPolarHBondContact O-CB 3.44Å; S207-K211 VanDerWaalsContact O-CG 3.24Å; S207-K211 WeakPolarHBondContact O-CG 3.19Å; S207-K211 PolarHBondContact O-N 2.71Å
208	I	48.3	Very low	48.6	Very low	84 Å²	84	83.8 Å²	83.8	43%	0.431	42%	0.424	S	S	.	.	H	α-helix	trans	-69.3	-43.3	174.6	-71	164.8	0	0	0	111	T204 I205 K211 L212	T204-I208 VanDerWaalsContact O-CG1 3.31Å; T204-I208 WeakPolarHBondContact O-CG1 3.33Å; T204-I208 PolarHBondContact O-N 3.05Å; I205-I208 PolarHBondContact O-N 3.46Å; I208-K211 PolarHBondContact O-N 3Å; I208-L212 HydrophobicContact CG2-CD1 4.09Å; I208-L212 WeakPolarHBondContact O-CB 3.4Å; I208-L212 PolarHBondContact O-N 2.8Å
209	Q	47.9	Very low	48.9	Very low	91 Å²	91	83.5 Å²	83.5	43%	0.425	42%	0.421	S	S	.	.	H	α-helix	trans	-62.3	-49.5	176.4	-73.5	168.8	-22	0	0	111.8	I205 H206 K211 L212 D213	I205-Q209 HydrophobicContact CG2-CG 4.42Å; I205-Q209 WeakPolarHBondContact O-CB 3.45Å; I205-Q209 WeakPolarHBondContact O-CG 3.46Å; I205-Q209 PolarHBondContact O-N 3.32Å; H206-Q209 PolarHBondContact ND1-OE1 3.2Å; Q209-K211 VanDerWaalsContact C-N 3.31Å; Q209-K211 PolarHBondContact O-N 3.03Å; Q209-L212 CarbonylContact O-C 3.57Å; Q209-L212 WeakPolarHBondContact O-CA 3.41Å; Q209-L212 VanDerWaalsContact O-CB 3.32Å; Q209-L212 WeakPolarHBondContact O-CB 3.24Å; Q209-L212 PolarHBondContact O-N 3.4Å; Q209-D213 PolarHBondContact O-N 3.34Å
210	T	58.4	Low	49.2	Very low	82 Å²	82	87.4 Å²	87.4	50%	0.503	44%	0.435	S	S	.	.	H	α-helix	trans	-64.7	-31.9	176.9	49.1	0	0	0	0	113.1	H206 S207 Q214	H206-T210 WeakPolarHBondContact O-CB 3.3Å; H206-T210 WeakPolarHBondContact O-CG2 3.43Å; H206-T210 PolarHBondContact O-N 3.49Å; H206-T210 PolarHBondContact O-OG1 3.35Å; S207-T210 PolarHBondContact O-OG1 2.74Å; T210-Q214 WeakPolarHBondContact O-CB 3.47Å; T210-Q214 WeakPolarHBondContact O-CG 3.41Å; T210-Q214 PolarHBondContact O-N 2.91Å
211	K	52.7	Low	49.8	Very low	118 Å²	118	84.3 Å²	84.3	51%	0.513	43%	0.429	S	S	.	.	H	α-helix	trans	-67.6	-37.7	169.5	-76.5	174.9	-177.6	179.7	0	112.4	S207 I208 Q209 L215	S207-K211 WeakPolarHBondContact O-CB 3.44Å; S207-K211 VanDerWaalsContact O-CG 3.24Å; S207-K211 WeakPolarHBondContact O-CG 3.19Å; S207-K211 PolarHBondContact O-N 2.71Å; I208-K211 PolarHBondContact O-N 3Å; Q209-K211 VanDerWaalsContact C-N 3.31Å; Q209-K211 PolarHBondContact O-N 3.03Å; K211-L215 PolarHBondContact O-N 3.16Å; K211-L215 VanDerWaalsContact O-N 3.08Å
212	L	50.2	Low	50	Low	63 Å²	63	86.3 Å²	86.3	33%	0.33	44%	0.437	S	S	.	.	H	α-helix	trans	-64.4	-44.9	172.8	-92.2	158.5	0	0	0	111.8	I208 Q209 Q214 L215 D216	I208-L212 HydrophobicContact CG2-CD1 4.09Å; I208-L212 WeakPolarHBondContact O-CB 3.4Å; I208-L212 PolarHBondContact O-N 2.8Å; Q209-L212 CarbonylContact O-C 3.57Å; Q209-L212 WeakPolarHBondContact O-CA 3.41Å; Q209-L212 VanDerWaalsContact O-CB 3.32Å; Q209-L212 WeakPolarHBondContact O-CB 3.24Å; Q209-L212 PolarHBondContact O-N 3.4Å; L212-Q214 PolarHBondContact O-N 2.84Å; L212-L215 CarbonylContact O-C 3.56Å; L212-L215 WeakPolarHBondContact O-CA 3.43Å; L212-L215 VanDerWaalsContact O-CB 3.31Å; L212-L215 WeakPolarHBondContact O-CB 3.47Å; L212-L215 PolarHBondContact O-N 3.34Å; L212-D216 WeakPolarHBondContact O-CB 3.33Å; L212-D216 PolarHBondContact O-N 3.22Å
213	D	49.3	Very low	50.3	Low	91 Å²	91	86.3 Å²	86.3	49%	0.487	44%	0.441	S	S	.	.	H	α-helix	trans	-66.9	-34.7	177.5	-66.9	-31.5	0	0	0	112.3	Q209 L215 N217	Q209-D213 PolarHBondContact O-N 3.34Å; D213-L215 VanDerWaalsContact C-N 3.27Å; D213-L215 PolarHBondContact O-N 2.89Å; D213-N217 WeakPolarHBondContact O-CB 3.4Å; D213-N217 PolarHBondContact O-N 2.81Å; D213-N217 PolarHBondContact O-ND2 2.95Å
214	Q	50.4	Low	50.7	Low	122 Å²	122	91.5 Å²	91.5	57%	0.57	46%	0.462	S	S	*	.	H	α-helix	trans	-68.3	-24	169.1	-79.9	-168.6	7.1	0	0	113.3	T210 L212 R218	T210-Q214 WeakPolarHBondContact O-CB 3.47Å; T210-Q214 WeakPolarHBondContact O-CG 3.41Å; T210-Q214 PolarHBondContact O-N 2.91Å; L212-Q214 PolarHBondContact O-N 2.84Å; Q214-R218 PolarHBondContact O-NE 2.83Å; Q214-R218 PolarHBondContact O-NH2 2.81Å
215	L	48.5	Very low	50.9	Low	99 Å²	99	92.6 Å²	92.6	52%	0.518	47%	0.469	S	S	.	.	H	α-helix	trans	-80.4	-48.8	175.1	-146.2	76.6	0	0	0	110	K211 L212 D213 N217 R218 T219	K211-L215 PolarHBondContact O-N 3.16Å; K211-L215 VanDerWaalsContact O-N 3.08Å; L212-L215 CarbonylContact O-C 3.56Å; L212-L215 WeakPolarHBondContact O-CA 3.43Å; L212-L215 VanDerWaalsContact O-CB 3.31Å; L212-L215 WeakPolarHBondContact O-CB 3.47Å; L212-L215 PolarHBondContact O-N 3.34Å; D213-L215 VanDerWaalsContact C-N 3.27Å; D213-L215 PolarHBondContact O-N 2.89Å; L215-N217 PolarHBondContact O-N 3.37Å; L215-R218 WeakPolarHBondContact O-CA 3.15Å; L215-R218 WeakPolarHBondContact O-CB 3.16Å; L215-R218 PolarHBondContact O-N 2.85Å; L215-T219 PolarHBondContact O-N 3.32Å; L215-T219 PolarHBondContact O-OG1 3.28Å
216	D	49.5	Very low	51	Low	62 Å²	62	95.9 Å²	95.9	33%	0.332	49%	0.487	S	S	.	.	H	α-helix	trans	-57.9	-44.6	176.7	172.6	80.1	0	0	0	112.3	L212 R218 T219 K220	L212-D216 WeakPolarHBondContact O-CB 3.33Å; L212-D216 PolarHBondContact O-N 3.22Å; D216-R218 VanDerWaalsContact C-N 3.3Å; D216-R218 PolarHBondContact O-N 3.28Å; D216-T219 PolarHBondContact O-N 3.34Å; D216-K220 WeakPolarHBondContact O-CB 3.48Å; D216-K220 WeakPolarHBondContact O-CG 3.39Å; D216-K220 PolarHBondContact O-N 2.8Å; D216-K220 WeakPolarHBondContact OD1-CE 3.38Å; D216-K220 IonicContact OD1-NZ 2.61Å; D216-K220 PolarHBondContact OD1-NZ 2.8Å; D216-K220 WeakPolarHBondContact OD2-CD 3.24Å; D216-K220 VanDerWaalsContact OD2-CE 3.26Å; D216-K220 WeakPolarHBondContact OD2-CE 3.32Å; D216-K220 IonicContact OD2-NZ 3.17Å; D216-K220 PolarHBondContact OD2-NZ 2.82Å
217	N	53.1	Low	51.3	Low	105 Å²	105	94.5 Å²	94.5	56%	0.561	49%	0.486	S	S	*	.	H	α-helix	trans	-63.8	-32.5	173.6	-83.7	-71.1	0	0	0	113.3	D213 L215 A221	D213-N217 WeakPolarHBondContact O-CB 3.4Å; D213-N217 PolarHBondContact O-N 2.81Å; D213-N217 PolarHBondContact O-ND2 2.95Å; L215-N217 PolarHBondContact O-N 3.37Å; N217-A221 WeakPolarHBondContact O-CB 3.47Å; N217-A221 PolarHBondContact O-N 2.8Å
218	R	53.7	Low	51.2	Low	128 Å²	128	95 Å²	95	48%	0.483	49%	0.489	S	S	.	.	H	α-helix	trans	-71.2	-42.3	174	-89.3	178.8	-78.7	178.6	-9.3	111.8	Q214 L215 D216 A221 H222	Q214-R218 PolarHBondContact O-NE 2.83Å; Q214-R218 PolarHBondContact O-NH2 2.81Å; L215-R218 WeakPolarHBondContact O-CA 3.15Å; L215-R218 WeakPolarHBondContact O-CB 3.16Å; L215-R218 PolarHBondContact O-N 2.85Å; D216-R218 VanDerWaalsContact C-N 3.3Å; D216-R218 PolarHBondContact O-N 3.28Å; R218-A221 PolarHBondContact O-N 2.93Å; R218-H222 PolarHBondContact O-N 2.92Å
219	T	49.5	Very low	51.4	Low	75 Å²	75	95.7 Å²	95.7	46%	0.46	49%	0.493	S	S	.	.	H	α-helix	trans	-61.2	-49.1	173.9	-53.5	0	0	0	0	110.7	L215 D216 A221 H222 D223	L215-T219 PolarHBondContact O-N 3.32Å; L215-T219 PolarHBondContact O-OG1 3.28Å; D216-T219 PolarHBondContact O-N 3.34Å; T219-A221 VanDerWaalsContact C-N 3.26Å; T219-A221 PolarHBondContact O-N 2.77Å; T219-H222 CarbonylContact O-C 3.55Å; T219-H222 WeakPolarHBondContact O-CA 3.49Å; T219-H222 WeakPolarHBondContact O-CB 3.26Å; T219-H222 PolarHBondContact O-N 2.58Å; T219-D223 PolarHBondContact O-N 2.62Å
220	K	54	Low	51.2	Low	114 Å²	114	95.7 Å²	95.7	50%	0.496	50%	0.496	S	S	.	.	H	α-helix	trans	-60.2	-32.5	175.8	-73.9	170	179.5	163.5	0	113.1	D216 K224	D216-K220 WeakPolarHBondContact O-CB 3.48Å; D216-K220 WeakPolarHBondContact O-CG 3.39Å; D216-K220 PolarHBondContact O-N 2.8Å; D216-K220 WeakPolarHBondContact OD1-CE 3.38Å; D216-K220 IonicContact OD1-NZ 2.61Å; D216-K220 PolarHBondContact OD1-NZ 2.8Å; D216-K220 WeakPolarHBondContact OD2-CD 3.24Å; D216-K220 VanDerWaalsContact OD2-CE 3.26Å; D216-K220 WeakPolarHBondContact OD2-CE 3.32Å; D216-K220 IonicContact OD2-NZ 3.17Å; D216-K220 PolarHBondContact OD2-NZ 2.82Å; K220-K224 WeakPolarHBondContact O-CB 3.32Å; K220-K224 PolarHBondContact O-N 3.47Å
221	A	53.6	Low	50.6	Low	53 Å²	53	95.9 Å²	95.9	44%	0.438	49%	0.494	S	S	.	.	H	α-helix	trans	-71.1	-36.6	173.1	0	0	0	0	0	113	N217 R218 T219 T225	N217-A221 WeakPolarHBondContact O-CB 3.47Å; N217-A221 PolarHBondContact O-N 2.8Å; R218-A221 PolarHBondContact O-N 2.93Å; T219-A221 VanDerWaalsContact C-N 3.26Å; T219-A221 PolarHBondContact O-N 2.77Å; A221-T225 PolarHBondContact O-N 2.86Å; A221-T225 VanDerWaalsContact O-N 3.13Å; A221-T225 PolarHBondContact O-OG1 3.01Å
222	H	47.7	Very low	50.3	Low	125 Å²	125	97.7 Å²	97.7	58%	0.579	50%	0.504	S	S	*	.	H	α-helix	trans	-64.8	-45.6	169.9	-81.9	-171.6	0	0	0	111.6	R218 T219 K224 T225 L226	R218-H222 PolarHBondContact O-N 2.92Å; T219-H222 CarbonylContact O-C 3.55Å; T219-H222 WeakPolarHBondContact O-CA 3.49Å; T219-H222 WeakPolarHBondContact O-CB 3.26Å; T219-H222 PolarHBondContact O-N 2.58Å; H222-K224 VanDerWaalsContact C-N 3.34Å; H222-K224 PolarHBondContact O-N 3.18Å; H222-T225 WeakPolarHBondContact CA-OG1 3.45Å; H222-T225 PolarHBondContact O-N 2.88Å; H222-T225 VanDerWaalsContact O-N 3.1Å; H222-T225 PolarHBondContact O-OG1 3.4Å; H222-L226 WeakPolarHBondContact O-CG 3.47Å; H222-L226 PolarHBondContact O-N 3.4Å
223	D	50.9	Low	50	Low	86 Å²	86	101.2 Å²	101.2	46%	0.46	52%	0.522	S	S	.	.	H	α-helix	trans	-60.6	-43.8	176.7	-67.2	-28.6	0	0	0	111.5	T219 T225 L226 V227	T219-D223 PolarHBondContact O-N 2.62Å; D223-T225 VanDerWaalsContact C-N 3.26Å; D223-T225 PolarHBondContact O-N 3.37Å; D223-L226 PolarHBondContact O-N 3.1Å; D223-V227 WeakPolarHBondContact O-CG2 3.4Å; D223-V227 PolarHBondContact O-N 3.07Å
224	K	54.3	Low	49.9	Very low	170 Å²	170	101.4 Å²	101.4	74%	0.739	53%	0.526	S	S	*	.	H	α-helix	trans	-61.9	-31.8	176.1	-128.4	173.4	-174.8	175	0	113.1	K220 H222 S228	K220-K224 WeakPolarHBondContact O-CB 3.32Å; K220-K224 PolarHBondContact O-N 3.47Å; H222-K224 VanDerWaalsContact C-N 3.34Å; H222-K224 PolarHBondContact O-N 3.18Å; K224-S228 WeakPolarHBondContact O-CB 3.47Å; K224-S228 PolarHBondContact O-N 2.92Å; K224-S228 VanDerWaalsContact O-N 3.14Å
225	T	54.2	Low	49.4	Very low	76 Å²	76	102 Å²	102	47%	0.466	53%	0.533	S	S	.	.	H	α-helix	trans	-81	-34.8	175.8	37.8	0	0	0	0	112.6	A221 H222 D223 S228 I229	A221-T225 PolarHBondContact O-N 2.86Å; A221-T225 VanDerWaalsContact O-N 3.13Å; A221-T225 PolarHBondContact O-OG1 3.01Å; H222-T225 WeakPolarHBondContact CA-OG1 3.45Å; H222-T225 PolarHBondContact O-N 2.88Å; H222-T225 VanDerWaalsContact O-N 3.1Å; H222-T225 PolarHBondContact O-OG1 3.4Å; D223-T225 VanDerWaalsContact C-N 3.26Å; D223-T225 PolarHBondContact O-N 3.37Å; T225-S228 WeakPolarHBondContact O-CB 3.25Å; T225-S228 PolarHBondContact O-N 3.49Å; T225-I229 WeakPolarHBondContact O-CD1 3.46Å; T225-I229 VanDerWaalsContact O-CG1 3.29Å; T225-I229 WeakPolarHBondContact O-CG1 3.32Å; T225-I229 PolarHBondContact O-N 2.82Å
226	L	51.4	Low	49.1	Very low	110 Å²	110	100 Å²	100	58%	0.576	54%	0.537	S	S	*	.	H	α-helix	trans	-61.8	-43.9	170	-71	169.5	0	0	0	111.8	H222 D223 S228 I229 N230	H222-L226 WeakPolarHBondContact O-CG 3.47Å; H222-L226 PolarHBondContact O-N 3.4Å; D223-L226 PolarHBondContact O-N 3.1Å; L226-S228 VanDerWaalsContact C-N 3.35Å; L226-S228 PolarHBondContact O-N 2.87Å; L226-I229 PolarHBondContact O-N 3.14Å; L226-N230 WeakPolarHBondContact O-CB 3.37Å; L226-N230 PolarHBondContact O-N 2.89Å
227	V	53	Low	48.6	Very low	84 Å²	84	107.2 Å²	107.2	51%	0.509	57%	0.565	S	S	.	*	H	α-helix	trans	-63.3	-39.1	173.8	171.7	0	0	0	0	111.8	D223 N230 N231	D223-V227 WeakPolarHBondContact O-CG2 3.4Å; D223-V227 PolarHBondContact O-N 3.07Å; V227-N230 PolarHBondContact O-N 3.38Å; V227-N231 VanDerWaalsContact O-CG 3.3Å; V227-N231 PolarHBondContact O-N 3.41Å
228	S	44.9	Very low	47.8	Very low	57 Å²	57	105.3 Å²	105.3	40%	0.399	57%	0.571	S	S	.	*	H	α-helix	trans	-63	-44.6	175.1	-171.6	0	0	0	0	112.3	K224 T225 L226 N231 H232	K224-S228 WeakPolarHBondContact O-CB 3.47Å; K224-S228 PolarHBondContact O-N 2.92Å; K224-S228 VanDerWaalsContact O-N 3.14Å; T225-S228 WeakPolarHBondContact O-CB 3.25Å; T225-S228 PolarHBondContact O-N 3.49Å; L226-S228 VanDerWaalsContact C-N 3.35Å; L226-S228 PolarHBondContact O-N 2.87Å; S228-N231 PolarHBondContact O-N 3.2Å; S228-H232 PolarHBondContact O-N 3.19Å
229	I	52.6	Low	46.9	Very low	98 Å²	98	106.6 Å²	106.6	50%	0.503	59%	0.587	S	S	.	*	H	α-helix	trans	-62.9	-43.4	175.9	-69	162.7	0	0	0	110.7	T225 L226 N231 H232 L233	T225-I229 WeakPolarHBondContact O-CD1 3.46Å; T225-I229 VanDerWaalsContact O-CG1 3.29Å; T225-I229 WeakPolarHBondContact O-CG1 3.32Å; T225-I229 PolarHBondContact O-N 2.82Å; L226-I229 PolarHBondContact O-N 3.14Å; I229-N231 PolarHBondContact O-N 2.83Å; I229-H232 PolarHBondContact O-N 3.27Å; I229-L233 HydrophobicContact CG2-CD1 3.83Å; I229-L233 WeakPolarHBondContact O-CG 3.2Å; I229-L233 PolarHBondContact O-N 3.06Å
230	N	44	Very low	46.2	Very low	91 Å²	91	110.5 Å²	110.5	49%	0.487	61%	0.605	S	S	.	*	H	α-helix	trans	-59.8	-46.7	176	-173.6	74.3	0	0	0	111.8	L226 V227 H232 L233 V234	L226-N230 WeakPolarHBondContact O-CB 3.37Å; L226-N230 PolarHBondContact O-N 2.89Å; V227-N230 PolarHBondContact O-N 3.38Å; N230-H232 VanDerWaalsContact C-N 3.33Å; N230-H232 PolarHBondContact O-N 3.34Å; N230-L233 PolarHBondContact O-N 3.48Å; N230-V234 WeakPolarHBondContact O-CB 3.27Å; N230-V234 WeakPolarHBondContact O-CG2 3.29Å; N230-V234 PolarHBondContact O-N 2.82Å
231	N	44.9	Very low	45.5	Very low	87 Å²	87	113.3 Å²	113.3	47%	0.465	63%	0.625	S	S	.	*	H	α-helix	trans	-63.6	-37.1	178.5	-71	-10.6	0	0	0	112.6	V227 S228 I229 N235	V227-N231 VanDerWaalsContact O-CG 3.3Å; V227-N231 PolarHBondContact O-N 3.41Å; S228-N231 PolarHBondContact O-N 3.2Å; I229-N231 PolarHBondContact O-N 2.83Å; N231-N235 PolarHBondContact O-N 3.4Å
232	H	45.6	Very low	44.7	Very low	156 Å²	156	119.1 Å²	119.1	72%	0.722	65%	0.648	S	S	*	*	H	α-helix	trans	-70.1	-28.1	174.8	-92.1	-63.4	0	0	0	114	S228 I229 N230	S228-H232 PolarHBondContact O-N 3.19Å; I229-H232 PolarHBondContact O-N 3.27Å; N230-H232 VanDerWaalsContact C-N 3.33Å; N230-H232 PolarHBondContact O-N 3.34Å
233	L	45.9	Very low	44	Very low	136 Å²	136	116.5 Å²	116.5	71%	0.712	66%	0.655	S	S	*	*	H	α-helix	trans	-83	-30.6	176.3	-71.8	168.5	0	0	0	113	I229 N230	I229-L233 HydrophobicContact CG2-CD1 3.83Å; I229-L233 WeakPolarHBondContact O-CG 3.2Å; I229-L233 PolarHBondContact O-N 3.06Å; N230-L233 PolarHBondContact O-N 3.48Å
234	V	45.5	Very low	43.1	Very low	96 Å²	96	119.7 Å²	119.7	58%	0.582	67%	0.672	S	S	*	*	H	α-helix	trans	-89.7	-40.8	-173.8	173.9	0	0	0	0	113.3	N230 G236	N230-V234 WeakPolarHBondContact O-CB 3.27Å; N230-V234 WeakPolarHBondContact O-CG2 3.29Å; N230-V234 PolarHBondContact O-N 2.82Å; V234-G236 PolarHBondContact O-N 3.14Å; V234-G236 VanDerWaalsContact O-N 3.09Å
235	N	40.7	Very low	42.4	Very low	134 Å²	134	117.1 Å²	117.1	72%	0.717	67%	0.67	S	S	*	*	S	Bend	trans	-87.8	33.5	-175.1	-72.6	2.7	0	0	0	113.8	N231 K237	N231-N235 PolarHBondContact O-N 3.4Å; N235-K237 VanDerWaalsContact C-N 3.32Å; N235-K237 PolarHBondContact O-N 2.93Å
236	G	42.6	Very low	41.5	Very low	58 Å²	58	119.1 Å²	119.1	60%	0.598	69%	0.688	S	S	*	*			trans	-73.6	10.6	-163.5	0	0	0	0	0	119.1	V234	V234-G236 PolarHBondContact O-N 3.14Å; V234-G236 VanDerWaalsContact O-N 3.09Å
237	K	38.1	Very low	41.2	Very low	212 Å²	212	123.6 Å²	123.6	92%	0.922	71%	0.705	S	S	*	*			trans	178.7	138.1	160.8	-108.8	168	-174.8	-177.7	0	113.3	N235	N235-K237 VanDerWaalsContact C-N 3.32Å; N235-K237 PolarHBondContact O-N 2.93Å
238	G	37.1	Very low	40.3	Very low	65 Å²	65	123 Å²	123	67%	0.67	72%	0.716	S	S	*	*			trans	166.8	108.4	166	0	0	0	0	0	111.8
239	N	34.7	Very low	40	Very low	155 Å²	155	124.2 Å²	124.2	83%	0.829	74%	0.738	S	S	*	*	S	Bend	trans	68.4	134.5	179	-52.3	0.3	0	0	0	114.3
240	D	35.5	Very low	39.3	Very low	157 Å²	157	127.1 Å²	127.1	84%	0.84	75%	0.753	S	S	*	*			cis	-119.9	158.7	1.2	-74.9	-56.2	0	0	0	112.7
241	L	38.1	Very low	39.5	Very low	174 Å²	174	125.9 Å²	125.9	91%	0.911	75%	0.752	S	S	*	*			trans	-110.6	131.2	166.8	-82.4	168.8	0	0	0	108.9
242	D	36.3	Very low	39.6	Very low	174 Å²	174	124.5 Å²	124.5	93%	0.93	76%	0.758	S	S	*	*			trans	-152.5	139.6	139.6	-143.5	-14.2	0	0	0	109
243	G	34.7	Very low	39.5	Very low	70 Å²	70	124.5 Å²	124.5	72%	0.722	76%	0.758	S	S	*	*	S	Bend	trans	113.6	69.5	-178.5	0	0	0	0	0	117.7
244	D	31.5	Very low	39.3	Very low	153 Å²	153	124 Å²	124	82%	0.818	75%	0.753	S	S	*	*			trans	43.6	119.3	137.2	-143.8	33.4	0	0	0	123.5
245	V	40.2	Very low	39.5	Very low	116 Å²	116	125.6 Å²	125.6	70%	0.703	76%	0.757	S	S	*	*			trans	36.9	110.8	143.6	178.4	0	0	0	0	121.1
246	S	34.5	Very low	39.7	Very low	118 Å²	118	122.6 Å²	122.6	83%	0.825	75%	0.747	S	S	*	*				-176.7	159.6	118.4	-85.4	0	0	0	0	114.3
247	H	43.9	Very low	40	Very low	205 Å²	205	123.7 Å²	123.7	95%	0.949	75%	0.745	S	S	*	*			trans	-73.3	140.6	176.9	-81.9	-52.1	0	0	0	113.5
248	G	34.5	Very low	40.7	Very low	72 Å²	72	118.9 Å²	118.9	74%	0.742	73%	0.729	S	S	*	*			trans	-165.8	107.7	164.4	0	0	0	0	0	111.3
249	G	39.1	Very low	41.6	Very low	82 Å²	82	123 Å²	123	85%	0.845	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-81.6	129.2	175.1	0	0	0	0	0	111.2
250	L	37.5	Very low	42.7	Very low	158 Å²	158	120.7 Å²	120.7	83%	0.827	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-76.1	126.6	177.2	-66.3	171.1	0	0	0	110.4
251	S	48	Very low	43.4	Very low	66 Å²	66	116.8 Å²	116.8	46%	0.462	70%	0.698	S	S	.	*	P	Polyproline II helix	trans	-86.7	148.5	-175.7	60.7	0	0	0	0	112.9	E253 Q254	S251-E253 PolarHBondContact O-N 2.88Å; S251-E253 VanDerWaalsContact O-N 3.11Å; S251-Q254 PolarHBondContact O-N 2.96Å
252	G	47.9	Very low	44.4	Very low	58 Å²	58	112.8 Å²	112.8	60%	0.598	68%	0.68	S	S	*	*	H	α-helix	trans	-61.5	-21.6	-174.3	0	0	0	0	0	115.5	Q254 L255 S256	G252-Q254 VanDerWaalsContact C-N 3.32Å; G252-Q254 PolarHBondContact O-N 2.64Å; G252-L255 PolarHBondContact O-N 2.71Å; G252-S256 PolarHBondContact O-N 2.72Å; G252-S256 VanDerWaalsContact O-N 3.14Å
253	E	42.5	Very low	45.2	Very low	155 Å²	155	109 Å²	109	72%	0.724	66%	0.66	S	S	*	*	H	α-helix	trans	-65.9	-30.7	178.8	-63	-174.6	125.5	0	0	113.3	S251 L255 S256 S257	S251-E253 PolarHBondContact O-N 2.88Å; S251-E253 VanDerWaalsContact O-N 3.11Å; E253-L255 VanDerWaalsContact C-N 3.31Å; E253-S256 PolarHBondContact O-OG 2.03Å; E253-S256 VanDerWaalsContact O-OG 3.06Å; E253-S257 VanDerWaalsContact O-CB 3.3Å; E253-S257 WeakPolarHBondContact O-CB 3.44Å; E253-S257 PolarHBondContact O-N 3.35Å; E253-S257 VanDerWaalsContact O-N 3.15Å
254	Q	43.6	Very low	46.3	Very low	126 Å²	126	110.8 Å²	110.8	59%	0.589	65%	0.647	S	S	*	*	H	α-helix	trans	-70	-32.8	175.1	-68.5	-173.4	-26.8	0	0	111.4	S251 G252 L258	S251-Q254 PolarHBondContact O-N 2.96Å; G252-Q254 VanDerWaalsContact C-N 3.32Å; G252-Q254 PolarHBondContact O-N 2.64Å; Q254-L258 WeakPolarHBondContact O-CB 3.27Å; Q254-L258 PolarHBondContact O-N 3.17Å; Q254-L258 VanDerWaalsContact O-N 3.14Å
255	L	48.7	Very low	47.5	Very low	129 Å²	129	107.1 Å²	107.1	68%	0.675	63%	0.625	S	S	*	*	H	α-helix	trans	-75.5	-38.4	-179.8	-162.5	72.5	0	0	0	112.2	G252 E253 K259	G252-L255 PolarHBondContact O-N 2.71Å; E253-L255 VanDerWaalsContact C-N 3.31Å; L255-K259 WeakPolarHBondContact O-CB 2.86Å; L255-K259 PolarHBondContact O-N 3Å; L255-K259 VanDerWaalsContact O-N 3.09Å
256	S	45.1	Very low	48.3	Very low	72 Å²	72	106.6 Å²	106.6	50%	0.503	62%	0.618	S	S	.	*	H	α-helix	trans	-67.7	-43.6	174.6	57.3	0	0	0	0	112	G252 E253 L258 K259 E260	G252-S256 PolarHBondContact O-N 2.72Å; G252-S256 VanDerWaalsContact O-N 3.14Å; E253-S256 PolarHBondContact O-OG 2.03Å; E253-S256 VanDerWaalsContact O-OG 3.06Å; S256-L258 PolarHBondContact O-N 3.28Å; S256-K259 PolarHBondContact O-N 3.22Å; S256-E260 PolarHBondContact O-N 3.31Å
257	S	48.3	Very low	49.3	Very low	80 Å²	80	104 Å²	104	56%	0.559	59%	0.593	S	S	*	*	H	α-helix	trans	-55.8	-48	174.1	178.4	0	0	0	0	112.3	E253 K259 E260 S261	E253-S257 VanDerWaalsContact O-CB 3.3Å; E253-S257 WeakPolarHBondContact O-CB 3.44Å; E253-S257 PolarHBondContact O-N 3.35Å; E253-S257 VanDerWaalsContact O-N 3.15Å; S257-K259 PolarHBondContact O-N 3.02Å; S257-E260 PolarHBondContact O-N 2.87Å; S257-S261 WeakPolarHBondContact O-CB 3.12Å; S257-S261 PolarHBondContact O-N 3.27Å
258	L	53.9	Low	50.1	Low	112 Å²	112	101.2 Å²	101.2	59%	0.586	57%	0.574	S	S	*	*	H	α-helix	trans	-62.5	-42.2	177.7	-165.8	71	0	0	0	111.9	Q254 S256 S261 V262	Q254-L258 WeakPolarHBondContact O-CB 3.27Å; Q254-L258 PolarHBondContact O-N 3.17Å; Q254-L258 VanDerWaalsContact O-N 3.14Å; S256-L258 PolarHBondContact O-N 3.28Å; L258-S261 PolarHBondContact O-N 2.95Å; L258-V262 WeakPolarHBondContact O-CG2 3.32Å; L258-V262 PolarHBondContact O-N 3.26Å
259	K	54.5	Low	51.1	Low	150 Å²	150	105.6 Å²	105.6	65%	0.652	57%	0.568	S	S	*	*	H	α-helix	trans	-63.3	-41.8	178.6	-170.7	177.1	-177.1	178.7	0	112.5	L255 S256 S257 L263	L255-K259 WeakPolarHBondContact O-CB 2.86Å; L255-K259 PolarHBondContact O-N 3Å; L255-K259 VanDerWaalsContact O-N 3.09Å; S256-K259 PolarHBondContact O-N 3.22Å; S257-K259 PolarHBondContact O-N 3.02Å; K259-L263 HydrophobicContact CG-CD1 4.34Å; K259-L263 WeakPolarHBondContact O-CG 3.49Å; K259-L263 PolarHBondContact O-N 3.16Å; K259-L263 VanDerWaalsContact O-N 3.11Å
260	E	57.9	Low	52.3	Low	108 Å²	108	105.6 Å²	105.6	51%	0.505	55%	0.551	S	S	.	*	H	α-helix	trans	-71.5	-35.6	178.5	-165.7	178	146.4	0	0	112.4	S256 S257 L263 K264	S256-E260 PolarHBondContact O-N 3.31Å; S257-E260 PolarHBondContact O-N 2.87Å; E260-L263 PolarHBondContact O-N 2.97Å; E260-K264 HydrophobicContact CG-CD 4.45Å; E260-K264 WeakPolarHBondContact O-CG 3.47Å; E260-K264 PolarHBondContact O-N 2.79Å; E260-K264 WeakPolarHBondContact OE1-CE 3.4Å; E260-K264 IonicContact OE1-NZ 3.17Å; E260-K264 PolarHBondContact OE1-NZ 2.89Å
261	S	49.8	Very low	53.3	Low	75 Å²	75	102.6 Å²	102.6	52%	0.524	54%	0.536	S	S	.	.	H	α-helix	trans	-60.5	-49.5	173.4	-173.9	0	0	0	0	111.9	S257 L258 L263 K264 E265	S257-S261 WeakPolarHBondContact O-CB 3.12Å; S257-S261 PolarHBondContact O-N 3.27Å; L258-S261 PolarHBondContact O-N 2.95Å; S261-L263 VanDerWaalsContact C-N 3.34Å; S261-L263 PolarHBondContact O-N 2.91Å; S261-K264 PolarHBondContact O-N 2.83Å; S261-E265 PolarHBondContact O-N 3.09Å
262	V	59.2	Low	53.8	Low	90 Å²	90	104.1 Å²	104.1	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-61.2	-41.3	177.3	171.6	0	0	0	0	111.7	L258 E265 L266	L258-V262 WeakPolarHBondContact O-CG2 3.32Å; L258-V262 PolarHBondContact O-N 3.26Å; V262-E265 PolarHBondContact O-N 3.42Å; V262-L266 WeakPolarHBondContact O-CB 3.22Å; V262-L266 PolarHBondContact O-N 2.89Å
263	L	53.5	Low	54.4	Low	95 Å²	95	104.9 Å²	104.9	50%	0.497	53%	0.534	S	S	.	.	H	α-helix	trans	-64.3	-41.2	177.4	-78.3	166.8	0	0	0	112.9	K259 E260 S261 L266 E267	K259-L263 HydrophobicContact CG-CD1 4.34Å; K259-L263 WeakPolarHBondContact O-CG 3.49Å; K259-L263 PolarHBondContact O-N 3.16Å; K259-L263 VanDerWaalsContact O-N 3.11Å; E260-L263 PolarHBondContact O-N 2.97Å; S261-L263 VanDerWaalsContact C-N 3.34Å; S261-L263 PolarHBondContact O-N 2.91Å; L263-L266 PolarHBondContact O-N 3.45Å; L263-E267 WeakPolarHBondContact O-CB 3.43Å; L263-E267 PolarHBondContact O-N 2.89Å
264	K	59.1	Low	55	Low	107 Å²	107	100.7 Å²	100.7	47%	0.465	52%	0.522	S	S	.	.	H	α-helix	trans	-67.5	-39.6	177.5	-76.2	173	-177.2	166.5	0	112.7	E260 S261 R268	E260-K264 HydrophobicContact CG-CD 4.45Å; E260-K264 WeakPolarHBondContact O-CG 3.47Å; E260-K264 PolarHBondContact O-N 2.79Å; E260-K264 WeakPolarHBondContact OE1-CE 3.4Å; E260-K264 IonicContact OE1-NZ 3.17Å; E260-K264 PolarHBondContact OE1-NZ 2.89Å; S261-K264 PolarHBondContact O-N 2.83Å; K264-R268 VanDerWaalsContact O-CB 3.32Å; K264-R268 WeakPolarHBondContact O-CB 3.4Å; K264-R268 PolarHBondContact O-N 2.87Å
265	E	55.7	Low	55.9	Low	75 Å²	75	98.1 Å²	98.1	35%	0.35	52%	0.517	S	S	.	.	H	α-helix	trans	-70.9	-33.5	177.3	-177.2	61.6	-176.1	0	0	111.8	S261 V262 R269	S261-E265 PolarHBondContact O-N 3.09Å; V262-E265 PolarHBondContact O-N 3.42Å; E265-R269 WeakPolarHBondContact O-CB 3.32Å; E265-R269 VanDerWaalsContact O-CG 3.26Å; E265-R269 WeakPolarHBondContact O-CG 3.49Å; E265-R269 PolarHBondContact O-N 2.95Å; E265-R269 IonicContact OE1-CZ 2.71Å; E265-R269 IonicContact OE1-NE 2.64Å; E265-R269 PolarHBondContact OE1-NE 3.14Å; E265-R269 IonicContact OE1-NH2 3.73Å; E265-R269 PolarHBondContact OE1-NH2 3.01Å
266	L	56.2	Low	56.4	Low	105 Å²	105	95.6 Å²	95.6	55%	0.55	51%	0.511	S	S	.	.	H	α-helix	trans	-65.3	-49.5	171.7	-170.7	70.2	0	0	0	111.5	V262 L263 R268 R269 V270	V262-L266 WeakPolarHBondContact O-CB 3.22Å; V262-L266 PolarHBondContact O-N 2.89Å; L263-L266 PolarHBondContact O-N 3.45Å; L266-R268 VanDerWaalsContact C-N 3.33Å; L266-R268 PolarHBondContact O-N 3.38Å; L266-R269 PolarHBondContact O-N 3.1Å; L266-R269 VanDerWaalsContact O-N 3.15Å; L266-V270 WeakPolarHBondContact O-CG2 3.3Å; L266-V270 PolarHBondContact O-N 3.4Å
267	E	56.6	Low	56.9	Low	65 Å²	65	96.1 Å²	96.1	30%	0.304	51%	0.513	S	S	.	.	H	α-helix	trans	-55.9	-45.7	176.1	-177.2	179.9	-151.4	0	0	111.5	L263 R269 V270 L271 R665	L263-E267 WeakPolarHBondContact O-CB 3.43Å; L263-E267 PolarHBondContact O-N 2.89Å; E267-R269 PolarHBondContact O-N 2.66Å; E267-V270 PolarHBondContact O-N 3.21Å; E267-L271 HydrophobicContact CG-CD1 4.29Å; E267-L271 WeakPolarHBondContact O-CB 3.25Å; E267-L271 WeakPolarHBondContact O-CG 3.5Å; E267-L271 PolarHBondContact O-N 3.24Å; E267-R665 IonicContact OE1-CZ 2.88Å; E267-R665 IonicContact OE1-NH1 3.6Å; E267-R665 PolarHBondContact OE1-NH1 2.96Å; E267-R665 IonicContact OE1-NH2 3.35Å; E267-R665 PolarHBondContact OE1-NH2 3.02Å; E267-R665 IonicContact OE2-CZ 2.72Å; E267-R665 IonicContact OE2-NH1 3.02Å; E267-R665 PolarHBondContact OE2-NH1 2.92Å; E267-R665 IonicContact OE2-NH2 3.42Å; E267-R665 PolarHBondContact OE2-NH2 2.99Å
268	R	61.4	Low	57.6	Low	146 Å²	146	97.9 Å²	97.9	55%	0.551	51%	0.512	S	S	*	.	H	α-helix	trans	-60.3	-42.4	175.1	174.7	177	162.6	70.9	5.9	112.8	K264 L266 L272	K264-R268 VanDerWaalsContact O-CB 3.32Å; K264-R268 WeakPolarHBondContact O-CB 3.4Å; K264-R268 PolarHBondContact O-N 2.87Å; L266-R268 VanDerWaalsContact C-N 3.33Å; L266-R268 PolarHBondContact O-N 3.38Å; R268-L272 HydrophobicContact CG-CD1 4.29Å; R268-L272 WeakPolarHBondContact O-CD1 3.32Å; R268-L272 PolarHBondContact O-N 3.41Å; R268-L272 VanDerWaalsContact O-N 3.12Å
269	R	55.8	Low	58.1	Low	164 Å²	164	94.7 Å²	94.7	62%	0.619	50%	0.503	S	S	*	.	H	α-helix	trans	-71.5	-39.1	-179.4	-74.9	174.7	-173.7	-133.4	0	112.5	E265 L266 E267 L272 S273	E265-R269 WeakPolarHBondContact O-CB 3.32Å; E265-R269 VanDerWaalsContact O-CG 3.26Å; E265-R269 WeakPolarHBondContact O-CG 3.49Å; E265-R269 PolarHBondContact O-N 2.95Å; E265-R269 IonicContact OE1-CZ 2.71Å; E265-R269 IonicContact OE1-NE 2.64Å; E265-R269 PolarHBondContact OE1-NE 3.14Å; E265-R269 IonicContact OE1-NH2 3.73Å; E265-R269 PolarHBondContact OE1-NH2 3.01Å; L266-R269 PolarHBondContact O-N 3.1Å; L266-R269 VanDerWaalsContact O-N 3.15Å; E267-R269 PolarHBondContact O-N 2.66Å; R269-L272 PolarHBondContact O-N 2.83Å; R269-S273 WeakPolarHBondContact O-CB 3.34Å; R269-S273 PolarHBondContact O-N 2.87Å
270	V	62.5	Low	58.5	Low	81 Å²	81	89.6 Å²	89.6	49%	0.491	49%	0.492	S	S	.	.	H	α-helix	trans	-61.1	-46.2	172.6	172.9	0	0	0	0	110.3	L266 E267 L272 S273 C274	L266-V270 WeakPolarHBondContact O-CG2 3.3Å; L266-V270 PolarHBondContact O-N 3.4Å; E267-V270 PolarHBondContact O-N 3.21Å; V270-L272 PolarHBondContact O-N 3.28Å; V270-S273 PolarHBondContact O-N 3.48Å; V270-S273 VanDerWaalsContact O-N 3.14Å; V270-C274 PolarHBondContact O-N 2.97Å; V270-C274 PolarHBondContact O-SG 3.02Å; V270-C274 VanDerWaalsContact O-SG 3.38Å
271	L	58.2	Low	58.5	Low	96 Å²	96	87.5 Å²	87.5	50%	0.503	49%	0.487	S	S	.	.	H	α-helix	trans	-59.3	-42.8	177.2	-77.3	165.6	0	0	0	113.4	E267 S275	E267-L271 HydrophobicContact CG-CD1 4.29Å; E267-L271 WeakPolarHBondContact O-CB 3.25Å; E267-L271 WeakPolarHBondContact O-CG 3.5Å; E267-L271 PolarHBondContact O-N 3.24Å; L271-S275 PolarHBondContact O-N 3.3Å; L271-S275 VanDerWaalsContact O-N 3.16Å; L271-S275 PolarHBondContact O-OG 3.16Å
272	L	60	Low	59	Low	98 Å²	98	88.4 Å²	88.4	51%	0.513	48%	0.483	S	S	.	.	H	α-helix	trans	-66.3	-36.4	174.4	-99.8	87.3	0	0	0	112.9	R268 R269 V270 S275 S276	R268-L272 HydrophobicContact CG-CD1 4.29Å; R268-L272 WeakPolarHBondContact O-CD1 3.32Å; R268-L272 PolarHBondContact O-N 3.41Å; R268-L272 VanDerWaalsContact O-N 3.12Å; R269-L272 PolarHBondContact O-N 2.83Å; V270-L272 PolarHBondContact O-N 3.28Å; L272-S275 PolarHBondContact O-OG 2.86Å; L272-S276 WeakPolarHBondContact O-CB 3.49Å; L272-S276 PolarHBondContact O-N 3.48Å
273	S	59.4	Low	59.1	Low	73 Å²	73	88.8 Å²	88.8	51%	0.51	48%	0.482	S	S	.	.	H	α-helix	trans	-69.6	-41.3	179	-167	0	0	0	0	111.4	R269 V270 C277	R269-S273 WeakPolarHBondContact O-CB 3.34Å; R269-S273 PolarHBondContact O-N 2.87Å; V270-S273 PolarHBondContact O-N 3.48Å; V270-S273 VanDerWaalsContact O-N 3.14Å; S273-C277 VanDerWaalsContact O-CB 3.31Å; S273-C277 WeakPolarHBondContact O-CB 3.39Å; S273-C277 PolarHBondContact O-N 2.94Å
274	C	55.1	Low	59	Low	68 Å²	68	89.7 Å²	89.7	46%	0.459	49%	0.486	S	S	.	.	H	α-helix	trans	-62.7	-45.8	175.6	-70.5	0	0	0	0	112.7	V270 C277 Q278	V270-C274 PolarHBondContact O-N 2.97Å; V270-C274 PolarHBondContact O-SG 3.02Å; V270-C274 VanDerWaalsContact O-SG 3.38Å; C274-C277 PolarHBondContact O-N 3.16Å; C274-Q278 WeakPolarHBondContact O-CB 3.39Å; C274-Q278 PolarHBondContact O-N 3.09Å
275	S	62.7	Low	59	Low	71 Å²	71	92 Å²	92	50%	0.497	49%	0.492	S	S	.	.	H	α-helix	trans	-66.8	-39.2	-180	62.8	0	0	0	0	112.6	L271 L272 C277 Q278 A279	L271-S275 PolarHBondContact O-N 3.3Å; L271-S275 VanDerWaalsContact O-N 3.16Å; L271-S275 PolarHBondContact O-OG 3.16Å; L272-S275 PolarHBondContact O-OG 2.86Å; S275-C277 VanDerWaalsContact C-N 3.34Å; S275-C277 PolarHBondContact O-N 3.01Å; S275-Q278 PolarHBondContact O-N 3.18Å; S275-A279 PolarHBondContact O-N 3.11Å; S275-A279 VanDerWaalsContact O-N 3.13Å
276	S	60	Low	59.7	Low	77 Å²	77	96.8 Å²	96.8	54%	0.538	51%	0.507	S	S	.	.	H	α-helix	trans	-67.7	-32.5	174.9	-173.8	0	0	0	0	112.9	L272 G280	L272-S276 WeakPolarHBondContact O-CB 3.49Å; L272-S276 PolarHBondContact O-N 3.48Å; S276-G280 PolarHBondContact O-N 3.15Å
277	C	54.2	Low	59.9	Low	82 Å²	82	95.3 Å²	95.3	55%	0.554	50%	0.497	S	S	*	.	H	α-helix	trans	-70.9	-44.1	174.6	-170.7	0	0	0	0	111.5	S273 C274 S275 A279 G280 V281	S273-C277 VanDerWaalsContact O-CB 3.31Å; S273-C277 WeakPolarHBondContact O-CB 3.39Å; S273-C277 PolarHBondContact O-N 2.94Å; C274-C277 PolarHBondContact O-N 3.16Å; S275-C277 VanDerWaalsContact C-N 3.34Å; S275-C277 PolarHBondContact O-N 3.01Å; C277-A279 PolarHBondContact O-N 3.16Å; C277-G280 PolarHBondContact O-N 2.81Å; C277-V281 PolarHBondContact O-N 3.06Å; C277-V281 VanDerWaalsContact O-N 3.12Å
278	Q	64.2	Low	60.1	Low	117 Å²	117	98.5 Å²	98.5	55%	0.547	51%	0.512	S	S	.	.	H	α-helix	trans	-59.7	-47.3	178.6	178.9	169.6	-11.5	0	0	112	C274 S275 G280 V281 E282	C274-Q278 WeakPolarHBondContact O-CB 3.39Å; C274-Q278 PolarHBondContact O-N 3.09Å; S275-Q278 PolarHBondContact O-N 3.18Å; Q278-G280 VanDerWaalsContact C-N 3.3Å; Q278-G280 PolarHBondContact O-N 3.24Å; Q278-V281 PolarHBondContact O-N 3.46Å; Q278-V281 VanDerWaalsContact O-N 3.13Å; Q278-E282 HydrophobicContact CG-CG 4.46Å; Q278-E282 WeakPolarHBondContact CG-OE1 3.49Å; Q278-E282 PolarHBondContact NE2-OE1 2.91Å; Q278-E282 WeakPolarHBondContact O-CG 3.4Å; Q278-E282 PolarHBondContact O-N 3.14Å
279	A	64.1	Low	60.5	Low	46 Å²	46	97.4 Å²	97.4	38%	0.38	51%	0.514	S	S	.	.	H	α-helix	trans	-57.4	-41.9	176.2	0	0	0	0	0	112.3	S275 C277 V281 E282 D283	S275-A279 PolarHBondContact O-N 3.11Å; S275-A279 VanDerWaalsContact O-N 3.13Å; C277-A279 PolarHBondContact O-N 3.16Å; A279-V281 VanDerWaalsContact C-N 3.33Å; A279-V281 PolarHBondContact O-N 2.98Å; A279-E282 PolarHBondContact O-N 3.42Å; A279-D283 PolarHBondContact O-N 2.88Å
280	G	62.5	Low	61.3	Low	42 Å²	42	95.4 Å²	95.4	43%	0.433	51%	0.511	S	S	.	.	H	α-helix	trans	-63.8	-34	176.9	0	0	0	0	0	114.1	S276 C277 Q278 L284	S276-G280 PolarHBondContact O-N 3.15Å; C277-G280 PolarHBondContact O-N 2.81Å; Q278-G280 VanDerWaalsContact C-N 3.3Å; Q278-G280 PolarHBondContact O-N 3.24Å; G280-L284 VanDerWaalsContact O-CB 3.29Å; G280-L284 WeakPolarHBondContact O-CB 3.43Å; G280-L284 PolarHBondContact O-N 3.48Å; G280-L284 VanDerWaalsContact O-N 3.09Å
281	V	58.2	Low	60.9	Low	64 Å²	64	94.1 Å²	94.1	39%	0.388	50%	0.502	S	S	.	.	H	α-helix	trans	-73.5	-34.2	174.5	172.7	0	0	0	0	111.7	C277 Q278 A279 R285	C277-V281 PolarHBondContact O-N 3.06Å; C277-V281 VanDerWaalsContact O-N 3.12Å; Q278-V281 PolarHBondContact O-N 3.46Å; Q278-V281 VanDerWaalsContact O-N 3.13Å; A279-V281 VanDerWaalsContact C-N 3.33Å; A279-V281 PolarHBondContact O-N 2.98Å; V281-R285 PolarHBondContact O-N 3.22Å
282	E	60.8	Low	60.8	Low	94 Å²	94	93 Å²	93	44%	0.439	49%	0.494	S	S	.	.	H	α-helix	trans	-73.1	-39.6	178.5	-72	168.9	-179	0	0	111.9	Q278 A279 R286	Q278-E282 HydrophobicContact CG-CG 4.46Å; Q278-E282 WeakPolarHBondContact CG-OE1 3.49Å; Q278-E282 PolarHBondContact NE2-OE1 2.91Å; Q278-E282 WeakPolarHBondContact O-CG 3.4Å; Q278-E282 PolarHBondContact O-N 3.14Å; A279-E282 PolarHBondContact O-N 3.42Å; E282-R286 WeakPolarHBondContact O-CG 3.31Å; E282-R286 PolarHBondContact O-N 2.84Å; E282-R286 VanDerWaalsContact O-N 3.16Å
283	D	60.8	Low	61.3	Low	99 Å²	99	94 Å²	94	53%	0.529	50%	0.496	S	S	.	.	H	α-helix	trans	-66.3	-42.4	170.9	-78.2	-22.6	0	0	0	112.1	A279 R285 R286 Q287	A279-D283 PolarHBondContact O-N 2.88Å; D283-R285 VanDerWaalsContact C-N 3.31Å; D283-R285 PolarHBondContact O-N 2.88Å; D283-R286 PolarHBondContact O-N 2.89Å; D283-R286 VanDerWaalsContact O-N 3.17Å; D283-Q287 PolarHBondContact O-N 3.18Å
284	L	51.3	Low	61.5	Low	113 Å²	113	98.2 Å²	98.2	59%	0.592	50%	0.501	S	S	*	.	H	α-helix	trans	-62.2	-38.6	177.6	-173.8	65.1	0	0	0	111.9	G280 Q287 Q288	G280-L284 VanDerWaalsContact O-CB 3.29Å; G280-L284 WeakPolarHBondContact O-CB 3.43Å; G280-L284 PolarHBondContact O-N 3.48Å; G280-L284 VanDerWaalsContact O-N 3.09Å; L284-Q287 PolarHBondContact O-N 2.64Å; L284-Q288 WeakPolarHBondContact O-CB 3.49Å; L284-Q288 PolarHBondContact O-N 3.09Å
285	R	58.5	Low	61.7	Low	155 Å²	155	99.5 Å²	99.5	59%	0.585	50%	0.502	S	S	*	.	H	α-helix	trans	-60.6	-46.7	171.7	-91.3	-170.5	164.9	107.3	-1	112.4	V281 D283 Q287 Q288 Q289	V281-R285 PolarHBondContact O-N 3.22Å; D283-R285 VanDerWaalsContact C-N 3.31Å; D283-R285 PolarHBondContact O-N 2.88Å; R285-Q287 VanDerWaalsContact C-N 3.31Å; R285-Q287 PolarHBondContact O-N 3.25Å; R285-Q288 PolarHBondContact O-N 3.29Å; R285-Q289 WeakPolarHBondContact O-CB 3.39Å; R285-Q289 PolarHBondContact O-N 3.11Å
286	R	71	Confident	61.7	Low	176 Å²	176	101.4 Å²	101.4	66%	0.664	50%	0.498	S	S	*	.	H	α-helix	trans	-60.3	-42.3	178.8	-73.5	172	174.5	-163.7	-1.6	111.6	E282 D283 Q289 Q290	E282-R286 WeakPolarHBondContact O-CG 3.31Å; E282-R286 PolarHBondContact O-N 2.84Å; E282-R286 VanDerWaalsContact O-N 3.16Å; D283-R286 PolarHBondContact O-N 2.89Å; D283-R286 VanDerWaalsContact O-N 3.17Å; R286-Q289 PolarHBondContact O-N 3.27Å; R286-Q290 PolarHBondContact O-N 3.21Å; R286-Q290 VanDerWaalsContact O-N 3.11Å
287	Q	61.6	Low	62.3	Low	75 Å²	75	100.3 Å²	100.3	35%	0.35	49%	0.494	S	S	.	.	H	α-helix	trans	-67.1	-47.1	178.2	-170.7	165.1	-8.8	0	0	111.7	D283 L284 R285 Q289 Q290 D291	D283-Q287 PolarHBondContact O-N 3.18Å; L284-Q287 PolarHBondContact O-N 2.64Å; R285-Q287 VanDerWaalsContact C-N 3.31Å; R285-Q287 PolarHBondContact O-N 3.25Å; Q287-Q289 PolarHBondContact O-N 3.36Å; Q287-Q290 PolarHBondContact O-N 2.8Å; Q287-Q290 VanDerWaalsContact O-N 3.15Å; Q287-D291 PolarHBondContact O-N 2.83Å
288	Q	59	Low	62.4	Low	132 Å²	132	101.7 Å²	101.7	62%	0.617	50%	0.495	S	S	*	.	H	α-helix	trans	-54.9	-36.6	174.5	-174.6	179.8	18	0	0	112.6	L284 R285 Q292	L284-Q288 WeakPolarHBondContact O-CB 3.49Å; L284-Q288 PolarHBondContact O-N 3.09Å; R285-Q288 PolarHBondContact O-N 3.29Å; Q288-Q292 PolarHBondContact O-N 3.07Å
289	Q	69.7	Low	62	Low	123 Å²	123	101.1 Å²	101.1	58%	0.575	49%	0.492	S	S	*	.	H	α-helix	trans	-73.8	-38.9	-179.8	-161.7	158.6	7.7	0	0	112.4	R285 R286 Q287 Q292 E293	R285-Q289 WeakPolarHBondContact O-CB 3.39Å; R285-Q289 PolarHBondContact O-N 3.11Å; R286-Q289 PolarHBondContact O-N 3.27Å; Q287-Q289 PolarHBondContact O-N 3.36Å; Q289-Q292 PolarHBondContact O-N 2.82Å; Q289-E293 PolarHBondContact O-N 2.64Å
290	Q	73.1	Confident	62.2	Low	121 Å²	121	105.4 Å²	105.4	57%	0.565	50%	0.502	S	S	*	.	H	α-helix	trans	-65.3	-39.8	171.9	-73.3	-173.7	-33.4	0	0	112.6	R286 Q287 Q292 E293 R294	R286-Q290 PolarHBondContact O-N 3.21Å; R286-Q290 VanDerWaalsContact O-N 3.11Å; Q287-Q290 PolarHBondContact O-N 2.8Å; Q287-Q290 VanDerWaalsContact O-N 3.15Å; Q290-Q292 VanDerWaalsContact C-N 3.35Å; Q290-E293 PolarHBondContact O-N 2.91Å; Q290-R294 WeakPolarHBondContact O-CG 3.31Å; Q290-R294 PolarHBondContact O-N 2.99Å
291	D	53.8	Low	62.1	Low	55 Å²	55	108.9 Å²	108.9	29%	0.294	51%	0.507	S	S	.	.	H	α-helix	trans	-69.2	-34.1	178.3	-66.6	-33	0	0	0	111.3	Q287 E293 R294 I295	Q287-D291 PolarHBondContact O-N 2.83Å; D291-E293 PolarHBondContact O-N 2.86Å; D291-R294 PolarHBondContact O-N 3.44Å; D291-R294 IonicContact OD1-NH1 3.71Å; D291-I295 VanDerWaalsContact O-CG1 3.31Å; D291-I295 WeakPolarHBondContact O-CG1 3.44Å; D291-I295 PolarHBondContact O-N 2.81Å
292	Q	57.7	Low	61.8	Low	73 Å²	73	111 Å²	111	34%	0.341	52%	0.516	S	S	.	.	H	α-helix	trans	-61.8	-38.8	169.8	-113.2	-166.1	11.7	0	0	113.3	Q288 Q289 Q290 R296	Q288-Q292 PolarHBondContact O-N 3.07Å; Q289-Q292 PolarHBondContact O-N 2.82Å; Q290-Q292 VanDerWaalsContact C-N 3.35Å; Q292-R296 WeakPolarHBondContact O-CG 3.47Å; Q292-R296 PolarHBondContact O-N 3.13Å; Q292-R296 VanDerWaalsContact OE1-NH2 3.16Å
293	E	69.1	Low	61.8	Low	118 Å²	118	110.6 Å²	110.6	55%	0.551	52%	0.517	S	S	*	.	H	α-helix	trans	-70	-37.8	177.3	-72.4	177	173.5	0	0	111.9	Q289 Q290 D291 A297	Q289-E293 PolarHBondContact O-N 2.64Å; Q290-E293 PolarHBondContact O-N 2.91Å; D291-E293 PolarHBondContact O-N 2.86Å; E293-A297 PolarHBondContact O-N 3.45Å; E293-A297 VanDerWaalsContact O-N 3.13Å
294	R	64.9	Low	61.9	Low	162 Å²	162	109.5 Å²	109.5	61%	0.611	51%	0.511	S	S	*	.	H	α-helix	trans	-63.6	-44.9	174.4	-74.5	168	161.2	-171.6	-12.9	112.6	Q290 D291 A297 L298	Q290-R294 WeakPolarHBondContact O-CG 3.31Å; Q290-R294 PolarHBondContact O-N 2.99Å; D291-R294 PolarHBondContact O-N 3.44Å; D291-R294 IonicContact OD1-NH1 3.71Å; R294-A297 WeakPolarHBondContact O-CB 3.47Å; R294-A297 PolarHBondContact O-N 3.37Å; R294-L298 PolarHBondContact O-N 2.04Å; R294-L298 VanDerWaalsContact O-N 3.12Å
295	I	58.2	Low	62	Low	94 Å²	94	105.3 Å²	105.3	48%	0.482	49%	0.492	S	S	.	.	H	α-helix	trans	-59.8	-49.9	178.1	-70.1	164.6	0	0	0	110.3	D291 A297 L298 E299	D291-I295 VanDerWaalsContact O-CG1 3.31Å; D291-I295 WeakPolarHBondContact O-CG1 3.44Å; D291-I295 PolarHBondContact O-N 2.81Å; I295-A297 VanDerWaalsContact C-N 3.26Å; I295-A297 PolarHBondContact O-N 3.41Å; I295-L298 PolarHBondContact O-N 2.97Å; I295-L298 VanDerWaalsContact O-N 3.08Å; I295-E299 HydrophobicContact CG2-CG 4.16Å; I295-E299 WeakPolarHBondContact O-CG 3.47Å; I295-E299 PolarHBondContact O-N 3.29Å
296	R	62.5	Low	61.6	Low	112 Å²	112	100.1 Å²	100.1	42%	0.423	48%	0.476	S	S	.	.	H	α-helix	trans	-58.4	-35.5	176.9	-70.7	178.8	-172.8	126.3	7.8	113.4	Q292 E299 K300	Q292-R296 WeakPolarHBondContact O-CG 3.47Å; Q292-R296 PolarHBondContact O-N 3.13Å; Q292-R296 VanDerWaalsContact OE1-NH2 3.16Å; R296-E299 WeakPolarHBondContact CA-OE2 3.25Å; R296-K300 WeakPolarHBondContact O-CB 3.48Å; R296-K300 PolarHBondContact O-N 2.85Å; R296-K300 VanDerWaalsContact O-N 3.09Å
297	A	72.4	Confident	61.2	Low	54 Å²	54	93.8 Å²	93.8	45%	0.446	46%	0.457	S	S	.	.	H	α-helix	trans	-67.1	-39.3	177	0	0	0	0	0	112.3	E293 R294 I295 Q301	E293-A297 PolarHBondContact O-N 3.45Å; E293-A297 VanDerWaalsContact O-N 3.13Å; R294-A297 WeakPolarHBondContact O-CB 3.47Å; R294-A297 PolarHBondContact O-N 3.37Å; I295-A297 VanDerWaalsContact C-N 3.26Å; I295-A297 PolarHBondContact O-N 3.41Å; A297-Q301 WeakPolarHBondContact O-CG 3.45Å; A297-Q301 PolarHBondContact O-N 2.96Å
298	L	57.1	Low	61.1	Low	111 Å²	111	96.4 Å²	96.4	58%	0.581	46%	0.464	S	S	*	.	H	α-helix	trans	-72.1	-44.4	176.3	-68.3	170.1	0	0	0	112	R294 I295 K300 Q301 L302	R294-L298 PolarHBondContact O-N 2.04Å; R294-L298 VanDerWaalsContact O-N 3.12Å; I295-L298 PolarHBondContact O-N 2.97Å; I295-L298 VanDerWaalsContact O-N 3.08Å; L298-K300 VanDerWaalsContact C-N 3.26Å; L298-K300 PolarHBondContact O-N 2.96Å; L298-Q301 PolarHBondContact O-N 3.16Å; L298-Q301 VanDerWaalsContact O-N 3.13Å; L298-L302 WeakPolarHBondContact O-CB 3.27Å; L298-L302 PolarHBondContact O-N 3.07Å
299	E	54.8	Low	60.6	Low	104 Å²	104	94.2 Å²	94.2	49%	0.486	45%	0.453	S	S	.	.	H	α-helix	trans	-55.4	-42.7	174.7	-71.7	173.2	141.6	0	0	111.2	I295 R296 L302 N303	I295-E299 HydrophobicContact CG2-CG 4.16Å; I295-E299 WeakPolarHBondContact O-CG 3.47Å; I295-E299 PolarHBondContact O-N 3.29Å; R296-E299 WeakPolarHBondContact CA-OE2 3.25Å; E299-L302 PolarHBondContact O-N 2.9Å; E299-N303 WeakPolarHBondContact O-CB 3.49Å; E299-N303 VanDerWaalsContact O-CG 3.3Å; E299-N303 PolarHBondContact O-N 2.88Å; E299-N303 PolarHBondContact O-ND2 2.86Å
300	K	68.1	Low	59.8	Low	136 Å²	136	91.7 Å²	91.7	59%	0.591	44%	0.439	S	S	*	.	H	α-helix	trans	-62.5	-48.2	174.6	-174.9	178	177.6	-178.7	0	112.5	R296 L298 L302 N303 D304	R296-K300 WeakPolarHBondContact O-CB 3.48Å; R296-K300 PolarHBondContact O-N 2.85Å; R296-K300 VanDerWaalsContact O-N 3.09Å; L298-K300 VanDerWaalsContact C-N 3.26Å; L298-K300 PolarHBondContact O-N 2.96Å; K300-L302 VanDerWaalsContact C-N 3.29Å; K300-L302 PolarHBondContact O-N 2.69Å; K300-N303 PolarHBondContact O-N 2.85Å; K300-D304 WeakPolarHBondContact O-CB 3.33Å; K300-D304 PolarHBondContact O-N 2.71Å
301	Q	60.7	Low	59	Low	116 Å²	116	92 Å²	92	54%	0.542	44%	0.44	S	S	.	.	H	α-helix	trans	-63.5	-35.4	179.8	-73.9	-178.1	-0.8	0	0	112.5	A297 L298 A305	A297-Q301 WeakPolarHBondContact O-CG 3.45Å; A297-Q301 PolarHBondContact O-N 2.96Å; L298-Q301 PolarHBondContact O-N 3.16Å; L298-Q301 VanDerWaalsContact O-N 3.13Å; Q301-A305 PolarHBondContact O-N 3.18Å; Q301-A305 VanDerWaalsContact O-N 3.14Å
302	L	52.5	Low	59	Low	108 Å²	108	91.2 Å²	91.2	57%	0.565	44%	0.436	S	S	*	.	H	α-helix	trans	-66	-45.4	174.9	-166.1	75.7	0	0	0	111.4	L298 E299 K300 A305 D306	L298-L302 WeakPolarHBondContact O-CB 3.27Å; L298-L302 PolarHBondContact O-N 3.07Å; E299-L302 PolarHBondContact O-N 2.9Å; K300-L302 VanDerWaalsContact C-N 3.29Å; K300-L302 PolarHBondContact O-N 2.69Å; L302-A305 PolarHBondContact O-N 2.72Å; L302-D306 WeakPolarHBondContact O-CB 3.28Å; L302-D306 PolarHBondContact O-N 3.5Å
303	N	61.3	Low	58.5	Low	85 Å²	85	90.3 Å²	90.3	46%	0.455	44%	0.441	S	S	.	.	H	α-helix	trans	-63.9	-42.7	176	-73.1	-27.6	0	0	0	112	E299 K300 A305 D306 V307	E299-N303 WeakPolarHBondContact O-CB 3.49Å; E299-N303 VanDerWaalsContact O-CG 3.3Å; E299-N303 PolarHBondContact O-N 2.88Å; E299-N303 PolarHBondContact O-ND2 2.86Å; K300-N303 PolarHBondContact O-N 2.85Å; N303-A305 PolarHBondContact O-N 3.17Å; N303-D306 PolarHBondContact O-N 3.36Å; N303-V307 WeakPolarHBondContact O-CB 3.45Å; N303-V307 WeakPolarHBondContact O-CG2 3.06Å; N303-V307 PolarHBondContact O-N 2.97Å
304	D	63.1	Low	57.6	Low	76 Å²	76	87.1 Å²	87.1	41%	0.406	43%	0.426	S	S	.	.	H	α-helix	trans	-60.8	-28.9	175.5	-73.6	-21.4	0	0	0	111.8	K300 R308	K300-D304 WeakPolarHBondContact O-CB 3.33Å; K300-D304 PolarHBondContact O-N 2.71Å; D304-R308 WeakPolarHBondContact O-CG 2.92Å; D304-R308 PolarHBondContact O-NE 3.4Å; D304-R308 PolarHBondContact O-NH1 3.4Å; D304-R308 VanDerWaalsContact O-NH1 3.16Å; D304-R308 PolarHBondContact O-NH2 2.92Å
305	A	53	Low	56.9	Low	25 Å²	25	84.3 Å²	84.3	21%	0.207	42%	0.415	C	S	.	.	H	α-helix	trans	-82.5	-45.8	175.6	0	0	0	0	0	113.4	Q301 L302 N303 V307 R308 H309	Q301-A305 PolarHBondContact O-N 3.18Å; Q301-A305 VanDerWaalsContact O-N 3.14Å; L302-A305 PolarHBondContact O-N 2.72Å; N303-A305 PolarHBondContact O-N 3.17Å; A305-V307 PolarHBondContact O-N 3.18Å; A305-R308 PolarHBondContact O-N 3.02Å; A305-R308 VanDerWaalsContact O-N 3.1Å; A305-H309 PolarHBondContact O-CD2 3.18Å; A305-H309 PolarHBondContact O-N 3.31Å
306	D	49.7	Very low	56.5	Low	46 Å²	46	83.4 Å²	83.4	25%	0.246	41%	0.411	C	S	.	.	H	α-helix	trans	-61.7	-30.7	178	178.6	95.6	0	0	0	112	L302 N303 R310 R790	L302-D306 WeakPolarHBondContact O-CB 3.28Å; L302-D306 PolarHBondContact O-N 3.5Å; N303-D306 PolarHBondContact O-N 3.36Å; D306-R310 VanDerWaalsContact CG-NH2 3.31Å; D306-R310 WeakPolarHBondContact O-CB 2.93Å; D306-R310 PolarHBondContact O-N 3.34Å; D306-R310 PolarHBondContact O-NH1 3.47Å; D306-R310 IonicContact OD1-NH2 3.63Å; D306-R310 PolarHBondContact OD1-NH2 2.92Å; D306-R310 IonicContact OD2-CZ 2.64Å; D306-R310 IonicContact OD2-NH1 3.17Å; D306-R310 PolarHBondContact OD2-NH1 3.42Å; D306-R310 IonicContact OD2-NH2 2.64Å; D306-R310 PolarHBondContact OD2-NH2 2.71Å; D306-R790 IonicContact OD1-NH2 2.66Å; D306-R790 PolarHBondContact OD1-NH2 3.38Å
307	V	63.5	Low	55.7	Low	43 Å²	43	79.8 Å²	79.8	26%	0.261	40%	0.397	S	S	.	.	H	α-helix	trans	-69.6	-44	170.6	170.9	0	0	0	0	112.5	N303 A305 R310 Q311	N303-V307 WeakPolarHBondContact O-CB 3.45Å; N303-V307 WeakPolarHBondContact O-CG2 3.06Å; N303-V307 PolarHBondContact O-N 2.97Å; A305-V307 PolarHBondContact O-N 3.18Å; V307-R310 PolarHBondContact O-N 2.94Å; V307-Q311 WeakPolarHBondContact O-CG 3.16Å; V307-Q311 PolarHBondContact O-N 3.47Å
308	R	59.7	Low	54.7	Low	131 Å²	131	81.8 Å²	81.8	49%	0.494	40%	0.4	S	S	.	.	H	α-helix	trans	-61.4	-56.8	178.5	-77.7	-175.8	-67.7	-93.1	-2.4	111.3	D304 A305 R310 Q311 D312	D304-R308 WeakPolarHBondContact O-CG 2.92Å; D304-R308 PolarHBondContact O-NE 3.4Å; D304-R308 PolarHBondContact O-NH1 3.4Å; D304-R308 VanDerWaalsContact O-NH1 3.16Å; D304-R308 PolarHBondContact O-NH2 2.92Å; A305-R308 PolarHBondContact O-N 3.02Å; A305-R308 VanDerWaalsContact O-N 3.1Å; R308-R310 PolarHBondContact O-N 3.05Å; R308-Q311 WeakPolarHBondContact O-CA 3.43Å; R308-Q311 WeakPolarHBondContact O-CB 3.01Å; R308-Q311 PolarHBondContact O-N 3.21Å; R308-D312 VanDerWaalsContact C-OD2 3.24Å; R308-D312 PolarHBondContact O-N 2.93Å
309	H	48.3	Very low	54.3	Low	85 Å²	85	79.1 Å²	79.1	39%	0.394	39%	0.385	S	S	.	.	H	α-helix	trans	-55.7	-30.2	-179.7	-65.6	-53.8	0	0	0	113.5	A305 A313	A305-H309 PolarHBondContact O-CD2 3.18Å; A305-H309 PolarHBondContact O-N 3.31Å; H309-A313 VanDerWaalsContact O-CB 3.27Å; H309-A313 WeakPolarHBondContact O-CB 3.42Å; H309-A313 PolarHBondContact O-N 2.88Å
310	R	51.3	Low	53.9	Low	71 Å²	71	75 Å²	75	27%	0.268	37%	0.366	S	S	.	.	H	α-helix	trans	-72.3	-36.1	174.4	-174.6	173.8	-63.9	111.5	12.4	113.2	D306 V307 R308 E314 L622	D306-R310 VanDerWaalsContact CG-NH2 3.31Å; D306-R310 WeakPolarHBondContact O-CB 2.93Å; D306-R310 PolarHBondContact O-N 3.34Å; D306-R310 PolarHBondContact O-NH1 3.47Å; D306-R310 IonicContact OD1-NH2 3.63Å; D306-R310 PolarHBondContact OD1-NH2 2.92Å; D306-R310 IonicContact OD2-CZ 2.64Å; D306-R310 IonicContact OD2-NH1 3.17Å; D306-R310 PolarHBondContact OD2-NH1 3.42Å; D306-R310 IonicContact OD2-NH2 2.64Å; D306-R310 PolarHBondContact OD2-NH2 2.71Å; V307-R310 PolarHBondContact O-N 2.94Å; R308-R310 PolarHBondContact O-N 3.05Å; R310-E314 PolarHBondContact O-N 2.88Å; R310-L622 VanDerWaalsContact CZ-CD2 3.47Å
311	Q	57.4	Low	52.9	Low	127 Å²	127	71.7 Å²	71.7	59%	0.593	35%	0.352	S	S	*	.	H	α-helix	trans	-69.9	-41.6	174	-70	175.1	-16.1	0	0	111.2	V307 R308 E314 R315	V307-Q311 WeakPolarHBondContact O-CG 3.16Å; V307-Q311 PolarHBondContact O-N 3.47Å; R308-Q311 WeakPolarHBondContact O-CA 3.43Å; R308-Q311 WeakPolarHBondContact O-CB 3.01Å; R308-Q311 PolarHBondContact O-N 3.21Å; Q311-E314 PolarHBondContact O-N 2.84Å; Q311-R315 PolarHBondContact O-N 3.14Å
312	D	54.7	Low	52.4	Low	39 Å²	39	73.2 Å²	73.2	21%	0.209	35%	0.353	C	S	.	.	H	α-helix	trans	-65.5	-43.1	179.3	-50.5	-35.9	0	0	0	111.1	R308 R315 L316	R308-D312 VanDerWaalsContact C-OD2 3.24Å; R308-D312 PolarHBondContact O-N 2.93Å; D312-R315 WeakPolarHBondContact O-CB 3.28Å; D312-R315 PolarHBondContact O-N 2.9Å; D312-L316 WeakPolarHBondContact O-CG 3.03Å; D312-L316 PolarHBondContact O-N 2.87Å
313	A	46.5	Very low	52.2	Low	54 Å²	54	69.5 Å²	69.5	45%	0.446	34%	0.336	S	S	.	.	H	α-helix	trans	-63.5	-39.9	175.7	0	0	0	0	0	113.5	H309 R317	H309-A313 VanDerWaalsContact O-CB 3.27Å; H309-A313 WeakPolarHBondContact O-CB 3.42Å; H309-A313 PolarHBondContact O-N 2.88Å; A313-R317 VanDerWaalsContact O-CB 3.29Å; A313-R317 WeakPolarHBondContact O-CB 3.45Å; A313-R317 PolarHBondContact O-N 3.3Å
314	E	49	Very low	51.4	Low	51 Å²	51	68.6 Å²	68.6	24%	0.238	33%	0.329	C	S	.	.	H	α-helix	trans	-70.1	-32.3	174.5	-75.5	-72.6	-176.4	0	0	112.2	R310 Q311 R317 L318 S619	R310-E314 PolarHBondContact O-N 2.88Å; Q311-E314 PolarHBondContact O-N 2.84Å; E314-R317 PolarHBondContact O-N 3.04Å; E314-R317 WeakPolarHBondContact OE2-CD 3.37Å; E314-L318 VanDerWaalsContact O-CG 3.31Å; E314-L318 WeakPolarHBondContact O-CG 3.16Å; E314-L318 PolarHBondContact O-N 3.42Å; E314-S619 WeakPolarHBondContact OE1-CB 3.46Å; E314-S619 PolarHBondContact OE1-OG 3.03Å
315	R	51.1	Low	50.4	Low	102 Å²	102	74.8 Å²	74.8	39%	0.385	35%	0.347	S	S	.	.	H	α-helix	trans	-62.4	-53	172	-172.4	-169.9	-64.1	-155	24.7	111.1	Q311 D312 R317 L318 E319 E452	Q311-R315 PolarHBondContact O-N 3.14Å; D312-R315 WeakPolarHBondContact O-CB 3.28Å; D312-R315 PolarHBondContact O-N 2.9Å; R315-R317 VanDerWaalsContact C-N 3.25Å; R315-R317 PolarHBondContact O-N 3.45Å; R315-L318 PolarHBondContact O-N 3.42Å; R315-L318 VanDerWaalsContact O-N 3.08Å; R315-E319 PolarHBondContact O-N 2.98Å; R315-E319 VanDerWaalsContact O-N 3.11Å; R315-E452 WeakPolarHBondContact CD-OE2 3.48Å; R315-E452 IonicContact CZ-OE1 2.67Å; R315-E452 IonicContact CZ-OE2 3.55Å; R315-E452 IonicContact NE-OE2 3.57Å; R315-E452 PolarHBondContact NE-OE2 3Å; R315-E452 IonicContact NH1-OE1 2.66Å; R315-E452 PolarHBondContact NH1-OE1 2.8Å; R315-E452 IonicContact NH1-OE2 2.7Å; R315-E452 PolarHBondContact NH1-OE2 3.08Å; R315-E452 IonicContact NH2-OE1 3.26Å; R315-E452 PolarHBondContact NH2-OE1 3.48Å; R315-E452 IonicContact NH2-OE2 3.5Å; R315-E452 PolarHBondContact NH2-OE2 2.98Å
316	L	48.8	Very low	50.1	Low	76 Å²	76	74.3 Å²	74.3	40%	0.398	34%	0.342	S	S	.	.	H	α-helix	trans	-55.2	-42.2	176.8	-73.6	166.9	0	0	0	111.8	D312 L318 E319 L320 V449	D312-L316 WeakPolarHBondContact O-CG 3.03Å; D312-L316 PolarHBondContact O-N 2.87Å; L316-L318 PolarHBondContact O-N 3.11Å; L316-E319 PolarHBondContact O-N 3.48Å; L316-L320 PolarHBondContact O-N 2.84Å; L316-L320 VanDerWaalsContact O-N 3.08Å; L316-V449 HydrophobicContact CD2-CG1 3.45Å; L316-V449 VanDerWaalsContact CD2-CG1 3.45Å
317	R	47.7	Very low	50	Low	35 Å²	35	73.5 Å²	73.5	13%	0.132	34%	0.34	C	S	.	.	H	α-helix	trans	-62.9	-38.7	177.1	-172.3	-170.7	171.4	92.6	16.9	113	A313 E314 R315 L320 Q321 L612	A313-R317 VanDerWaalsContact O-CB 3.29Å; A313-R317 WeakPolarHBondContact O-CB 3.45Å; A313-R317 PolarHBondContact O-N 3.3Å; E314-R317 PolarHBondContact O-N 3.04Å; E314-R317 WeakPolarHBondContact OE2-CD 3.37Å; R315-R317 VanDerWaalsContact C-N 3.25Å; R315-R317 PolarHBondContact O-N 3.45Å; R317-L320 PolarHBondContact O-N 2.96Å; R317-Q321 PolarHBondContact O-N 3.06Å; R317-Q321 VanDerWaalsContact O-N 3.09Å; R317-L612 PolarHBondContact NH1-O 2.89Å; R317-L612 VanDerWaalsContact NH2-C 3.32Å; R317-L612 PolarHBondContact NH2-O 3.45Å
318	L	50.9	Low	49.2	Very low	97 Å²	97	75 Å²	75	51%	0.508	35%	0.352	S	S	.	.	H	α-helix	trans	-72.6	-30.6	178.5	-74.7	168.1	0	0	0	112.9	E314 R315 L316	E314-L318 VanDerWaalsContact O-CG 3.31Å; E314-L318 WeakPolarHBondContact O-CG 3.16Å; E314-L318 PolarHBondContact O-N 3.42Å; R315-L318 PolarHBondContact O-N 3.42Å; R315-L318 VanDerWaalsContact O-N 3.08Å; L316-L318 PolarHBondContact O-N 3.11Å
319	E	48	Very low	48.9	Very low	54 Å²	54	70.4 Å²	70.4	25%	0.252	34%	0.34	S	S	.	.	H	α-helix	trans	-66.8	-43.6	167.9	-67.2	-54.9	122.7	0	0	111.3	R315 L316 Q321 R322 S323 R445	R315-E319 PolarHBondContact O-N 2.98Å; R315-E319 VanDerWaalsContact O-N 3.11Å; L316-E319 PolarHBondContact O-N 3.48Å; E319-Q321 PolarHBondContact O-N 3.39Å; E319-R322 CarbonylContact O-C 3.51Å; E319-R322 VanDerWaalsContact O-CA 3.32Å; E319-R322 WeakPolarHBondContact O-CA 3.26Å; E319-R322 WeakPolarHBondContact O-CB 3.32Å; E319-R322 PolarHBondContact O-N 3.45Å; E319-S323 PolarHBondContact O-N 2.7Å; E319-S323 VanDerWaalsContact O-N 3.14Å; E319-R445 VanDerWaalsContact CD-NH2 3.32Å; E319-R445 IonicContact OE1-CZ 3.63Å; E319-R445 IonicContact OE1-NE 2.79Å; E319-R445 IonicContact OE1-NH2 3.89Å; E319-R445 PolarHBondContact OE1-NH2 3.35Å; E319-R445 IonicContact OE2-CZ 2.77Å; E319-R445 IonicContact OE2-NE 3.21Å; E319-R445 PolarHBondContact OE2-NE 3.07Å; E319-R445 IonicContact OE2-NH2 2.68Å; E319-R445 PolarHBondContact OE2-NH2 3.26Å; E319-R445 VanDerWaalsContact OE2-NH2 3.16Å
320	L	46.6	Very low	49.1	Very low	18 Å²	18	67.3 Å²	67.3	9%	0.094	33%	0.326	C	S	.	.	H	α-helix	trans	-63.3	-39.9	-179.7	-168.2	70	0	0	0	113	L316 R317 R322 S323 Q324 L801 L805	L316-L320 PolarHBondContact O-N 2.84Å; L316-L320 VanDerWaalsContact O-N 3.08Å; R317-L320 PolarHBondContact O-N 2.96Å; L320-R322 PolarHBondContact O-N 3.31Å; L320-S323 PolarHBondContact O-N 3.4Å; L320-S323 PolarHBondContact O-OG 3.46Å; L320-Q324 PolarHBondContact O-N 2.6Å; L320-L801 HydrophobicContact CD2-CD2 4.15Å; L320-L805 HydrophobicContact CD1-CD1 4.03Å
321	Q	47.5	Very low	49.2	Very low	66 Å²	66	67.8 Å²	67.8	31%	0.308	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-8.9	171.3	-80.3	-173.8	-22.1	0	0	113.8	R317 E319	R317-Q321 PolarHBondContact O-N 3.06Å; R317-Q321 VanDerWaalsContact O-N 3.09Å; E319-Q321 PolarHBondContact O-N 3.39Å
322	R	49.5	Very low	48.9	Very low	149 Å²	149	66 Å²	66	56%	0.562	33%	0.328	S	S	*	.	H	α-helix	trans	-103	-18.5	179.8	-136.9	175.3	-173.8	156.6	2.9	113.6	E319 L320 R442	E319-R322 CarbonylContact O-C 3.51Å; E319-R322 VanDerWaalsContact O-CA 3.32Å; E319-R322 WeakPolarHBondContact O-CA 3.26Å; E319-R322 WeakPolarHBondContact O-CB 3.32Å; E319-R322 PolarHBondContact O-N 3.45Å; L320-R322 PolarHBondContact O-N 3.31Å; R322-R442 PolarHBondContact O-NH2 3.29Å
323	S	48.7	Very low	48.7	Very low	29 Å²	29	65.9 Å²	65.9	20%	0.203	33%	0.328	C	S	.	.	H	α-helix	trans	-82.3	-48.1	168.4	57	0	0	0	0	111.4	E319 L320 R325 C326	E319-S323 PolarHBondContact O-N 2.7Å; E319-S323 VanDerWaalsContact O-N 3.14Å; L320-S323 PolarHBondContact O-N 3.4Å; L320-S323 PolarHBondContact O-OG 3.46Å; S323-R325 VanDerWaalsContact C-N 3.28Å; S323-R325 PolarHBondContact O-N 2.76Å; S323-C326 WeakPolarHBondContact O-CA 3.38Å; S323-C326 VanDerWaalsContact O-CB 3.27Å; S323-C326 WeakPolarHBondContact O-CB 3.47Å; S323-C326 PolarHBondContact O-N 3.46Å
324	Q	45.3	Very low	49	Very low	66 Å²	66	66.2 Å²	66.2	31%	0.308	32%	0.32	S	S	.	.	H	α-helix	trans	-53.1	-39.7	-178.9	-90.9	172.3	0.1	0	0	114.1	L320 C326 C327 E808	L320-Q324 PolarHBondContact O-N 2.6Å; Q324-C326 PolarHBondContact O-N 2.91Å; Q324-C327 PolarHBondContact O-N 3.28Å; Q324-E808 WeakPolarHBondContact CG-OE1 3.48Å; Q324-E808 PolarHBondContact NE2-OE2 3.33Å
325	R	42.1	Very low	49.4	Very low	206 Å²	206	69 Å²	69	78%	0.777	34%	0.336	S	S	*	.	H	α-helix	trans	-66.3	-1.7	175.2	-66.8	-173.9	-175.7	-163.6	2.8	114.9	S323	S323-R325 VanDerWaalsContact C-N 3.28Å; S323-R325 PolarHBondContact O-N 2.76Å
326	C	46.8	Very low	49.7	Very low	15 Å²	15	70.2 Å²	70.2	10%	0.101	34%	0.341	C	S	.	.	H	α-helix	trans	-110.2	-26.5	179.4	-149.1	0	0	0	0	113.5	S323 Q324 S328 S329 I330 R442	S323-C326 WeakPolarHBondContact O-CA 3.38Å; S323-C326 VanDerWaalsContact O-CB 3.27Å; S323-C326 WeakPolarHBondContact O-CB 3.47Å; S323-C326 PolarHBondContact O-N 3.46Å; Q324-C326 PolarHBondContact O-N 2.91Å; C326-S328 VanDerWaalsContact C-N 3.31Å; C326-S328 PolarHBondContact O-N 3.29Å; C326-S329 CarbonylContact O-C 3.55Å; C326-S329 WeakPolarHBondContact O-CA 3.37Å; C326-S329 WeakPolarHBondContact O-CB 3.32Å; C326-S329 PolarHBondContact O-N 2.78Å; C326-I330 PolarHBondContact O-N 3.21Å; C326-I330 VanDerWaalsContact O-N 3.1Å; C326-R442 VanDerWaalsContact CB-NH2 3.25Å; C326-R442 PolarHBondContact SG-NH1 3.47Å
327	C	47.7	Very low	49.9	Very low	30 Å²	30	67.4 Å²	67.4	20%	0.203	33%	0.326	C	S	.	.	H	α-helix	trans	-58.7	-45.9	172.3	-58.3	0	0	0	0	110.1	Q324 S329 I330 D331	Q324-C327 PolarHBondContact O-N 3.28Å; C327-S329 PolarHBondContact O-N 2.88Å; C327-I330 WeakPolarHBondContact O-CA 3.22Å; C327-I330 WeakPolarHBondContact O-CB 3.49Å; C327-I330 PolarHBondContact O-N 2.77Å; C327-D331 PolarHBondContact O-N 3.1Å
328	S	45.8	Very low	50.4	Low	73 Å²	73	67.4 Å²	67.4	51%	0.51	33%	0.331	S	S	.	.	H	α-helix	trans	-62.9	-21.3	172.6	56.3	0	0	0	0	114.8	C326 D332	C326-S328 VanDerWaalsContact C-N 3.31Å; C326-S328 PolarHBondContact O-N 3.29Å; S328-D332 PolarHBondContact O-N 2.83Å
329	S	52.8	Low	50.7	Low	36 Å²	36	66.9 Å²	66.9	25%	0.252	33%	0.329	S	S	.	.	H	α-helix	trans	-83.8	-16	171.4	179.8	0	0	0	0	113	C326 C327 R438	C326-S329 CarbonylContact O-C 3.55Å; C326-S329 WeakPolarHBondContact O-CA 3.37Å; C326-S329 WeakPolarHBondContact O-CB 3.32Å; C326-S329 PolarHBondContact O-N 2.78Å; C327-S329 PolarHBondContact O-N 2.88Å; S329-R438 PolarHBondContact OG-NH2 3.21Å
330	I	53.3	Low	50.9	Low	20 Å²	20	66.1 Å²	66.1	10%	0.103	33%	0.332	C	S	.	.	H	α-helix	trans	-85	-40.6	172.8	-66.5	167.8	0	0	0	109.1	C326 C327 D332 L333 Q334	C326-I330 PolarHBondContact O-N 3.21Å; C326-I330 VanDerWaalsContact O-N 3.1Å; C327-I330 WeakPolarHBondContact O-CA 3.22Å; C327-I330 WeakPolarHBondContact O-CB 3.49Å; C327-I330 PolarHBondContact O-N 2.77Å; I330-D332 PolarHBondContact O-N 3.5Å; I330-L333 WeakPolarHBondContact O-CB 3.42Å; I330-L333 PolarHBondContact O-N 3.09Å; I330-L333 VanDerWaalsContact O-N 3.16Å; I330-Q334 WeakPolarHBondContact O-CB 3.14Å; I330-Q334 PolarHBondContact O-N 2.68Å
331	D	53	Low	51	Low	81 Å²	81	67.7 Å²	67.7	43%	0.433	34%	0.339	S	S	.	.	H	α-helix	trans	-59.8	-42.9	173.7	-68.6	-40.9	0	0	0	112.5	C327 L333 Q334 N335	C327-D331 PolarHBondContact O-N 3.1Å; D331-L333 VanDerWaalsContact C-N 3.34Å; D331-L333 PolarHBondContact O-N 3.4Å; D331-Q334 PolarHBondContact O-N 2.04Å; D331-N335 WeakPolarHBondContact O-CB 3.36Å; D331-N335 PolarHBondContact O-N 3.27Å; D331-N335 PolarHBondContact O-ND2 2.84Å
332	D	50.7	Low	51.6	Low	88 Å²	88	69.7 Å²	69.7	47%	0.471	35%	0.352	S	S	.	.	H	α-helix	trans	-59.1	-44.4	173.3	-177.6	75	0	0	0	111.8	S328 I330 Q334 N335 R336	S328-D332 PolarHBondContact O-N 2.83Å; I330-D332 PolarHBondContact O-N 3.5Å; D332-Q334 PolarHBondContact O-N 3.47Å; D332-N335 PolarHBondContact O-N 2.91Å; D332-R336 WeakPolarHBondContact O-CG 3.36Å; D332-R336 PolarHBondContact O-N 2.85Å
333	L	51.5	Low	51.9	Low	37 Å²	37	68.4 Å²	68.4	19%	0.194	35%	0.35	C	S	.	.	H	α-helix	trans	-63.2	-42.5	177	-132	76	0	0	0	112	I330 D331 R336 M337 L431 L819	I330-L333 WeakPolarHBondContact O-CB 3.42Å; I330-L333 PolarHBondContact O-N 3.09Å; I330-L333 VanDerWaalsContact O-N 3.16Å; D331-L333 VanDerWaalsContact C-N 3.34Å; D331-L333 PolarHBondContact O-N 3.4Å; L333-R336 PolarHBondContact O-N 3.09Å; L333-M337 PolarHBondContact O-N 3.11Å; L333-L431 HydrophobicContact CD1-CD2 3.84Å; L333-L431 HydrophobicContact CD2-CD2 4.1Å; L333-L431 HydrophobicContact CG-CD2 4.06Å; L333-L819 HydrophobicContact CD2-CD2 4.2Å
334	Q	52.2	Low	52.2	Low	61 Å²	61	69 Å²	69	29%	0.285	35%	0.351	S	S	.	.	H	α-helix	trans	-66.6	-37.2	179.7	-172.8	162.7	-70.5	0	0	111.8	I330 D331 D332 S338 L819	I330-Q334 WeakPolarHBondContact O-CB 3.14Å; I330-Q334 PolarHBondContact O-N 2.68Å; D331-Q334 PolarHBondContact O-N 2.04Å; D332-Q334 PolarHBondContact O-N 3.47Å; Q334-S338 WeakPolarHBondContact O-CB 3.33Å; Q334-S338 PolarHBondContact O-N 2.82Å; Q334-S338 VanDerWaalsContact O-N 3.11Å; Q334-S338 PolarHBondContact O-OG 2.9Å; Q334-L819 HydrophobicContact CB-CD1 4.49Å
335	N	58	Low	52.5	Low	109 Å²	109	69 Å²	69	58%	0.583	36%	0.358	S	S	*	.	H	α-helix	trans	-65.8	-46.8	170.7	-76	-57.5	0	0	0	111.5	D331 D332 M337 S338 D339	D331-N335 WeakPolarHBondContact O-CB 3.36Å; D331-N335 PolarHBondContact O-N 3.27Å; D331-N335 PolarHBondContact O-ND2 2.84Å; D332-N335 PolarHBondContact O-N 2.91Å; N335-M337 PolarHBondContact O-N 3.46Å; N335-S338 WeakPolarHBondContact O-CB 3.26Å; N335-S338 PolarHBondContact O-N 3.49Å; N335-S338 VanDerWaalsContact O-N 3.16Å; N335-D339 PolarHBondContact O-N 2.9Å
336	R	56.5	Low	53.1	Low	129 Å²	129	62.3 Å²	62.3	49%	0.487	34%	0.343	S	S	.	.	H	α-helix	trans	-60.1	-41.7	176.9	-75.1	177.5	60.7	-167.4	-5.2	113.1	D332 L333 D339 A340 E427	D332-R336 WeakPolarHBondContact O-CG 3.36Å; D332-R336 PolarHBondContact O-N 2.85Å; L333-R336 PolarHBondContact O-N 3.09Å; R336-D339 PolarHBondContact O-N 3.49Å; R336-A340 PolarHBondContact O-N 2.96Å; R336-A340 VanDerWaalsContact O-N 3.13Å; R336-E427 IonicContact NH2-OE2 2.66Å
337	M	52.9	Low	53.3	Low	17 Å²	17	64.5 Å²	64.5	8%	0.084	36%	0.362	C	S	.	.	H	α-helix	trans	-64.6	-40	173.7	-86.2	-178.6	57.3	0	0	112.4	L333 N335 D339 A340 E341 L819 R822 L823	L333-M337 PolarHBondContact O-N 3.11Å; N335-M337 PolarHBondContact O-N 3.46Å; M337-D339 VanDerWaalsContact C-N 3.33Å; M337-D339 PolarHBondContact O-N 3.27Å; M337-A340 WeakPolarHBondContact O-CB 3.38Å; M337-A340 PolarHBondContact O-N 3.34Å; M337-A340 VanDerWaalsContact O-N 3.15Å; M337-E341 WeakPolarHBondContact O-CG 3.41Å; M337-E341 PolarHBondContact O-N 2.93Å; M337-L819 HydrophobicContact CE-CD1 4.11Å; M337-L819 HydrophobicContact SD-CD1 3.47Å; M337-L819 WeakPolarHBondContact SD-CD1 3.22Å; M337-L819 HydrophobicContact SD-CG 4.05Å; M337-R822 HydrophobicContact CE-CB 3.61Å; M337-L823 HydrophobicContact CE-CG 4.36Å; M337-L823 HydrophobicContact SD-CD1 4.5Å
338	S	58.2	Low	53.4	Low	34 Å²	34	65.6 Å²	65.6	24%	0.238	37%	0.37	C	S	.	.	H	α-helix	trans	-62.5	-40.8	177.5	-52.9	0	0	0	0	112	Q334 N335 A340 E341 N342 R822	Q334-S338 WeakPolarHBondContact O-CB 3.33Å; Q334-S338 PolarHBondContact O-N 2.82Å; Q334-S338 VanDerWaalsContact O-N 3.11Å; Q334-S338 PolarHBondContact O-OG 2.9Å; N335-S338 WeakPolarHBondContact O-CB 3.26Å; N335-S338 PolarHBondContact O-N 3.49Å; N335-S338 VanDerWaalsContact O-N 3.16Å; S338-A340 VanDerWaalsContact C-N 3.3Å; S338-A340 PolarHBondContact O-N 2.78Å; S338-E341 PolarHBondContact O-N 3.03Å; S338-N342 VanDerWaalsContact O-CG 3.31Å; S338-N342 PolarHBondContact O-N 2.85Å; S338-N342 VanDerWaalsContact O-N 3.14Å; S338-N342 PolarHBondContact O-ND2 3.07Å; S338-R822 PolarHBondContact OG-NH1 3.3Å; S338-R822 PolarHBondContact OG-NH2 3.26Å
339	D	57	Low	53.8	Low	86 Å²	86	68.3 Å²	68.3	46%	0.46	38%	0.375	S	S	.	.	H	α-helix	trans	-70.7	-23.9	176.5	-169	35.7	0	0	0	112.7	N335 R336 M337 K343	N335-D339 PolarHBondContact O-N 2.9Å; R336-D339 PolarHBondContact O-N 3.49Å; M337-D339 VanDerWaalsContact C-N 3.33Å; M337-D339 PolarHBondContact O-N 3.27Å; D339-K343 WeakPolarHBondContact O-CD 3.25Å; D339-K343 WeakPolarHBondContact O-CE 3.48Å; D339-K343 VanDerWaalsContact O-CG 3.25Å; D339-K343 WeakPolarHBondContact O-CG 3.37Å; D339-K343 WeakPolarHBondContact OD1-CE 3.3Å; D339-K343 IonicContact OD1-NZ 3.2Å; D339-K343 PolarHBondContact OD1-NZ 3.14Å; D339-K343 WeakPolarHBondContact OD2-CE 3.4Å; D339-K343 IonicContact OD2-NZ 2.75Å; D339-K343 PolarHBondContact OD2-NZ 3.14Å
340	A	52.6	Low	53.7	Low	39 Å²	39	70 Å²	70	32%	0.322	39%	0.386	S	S	.	.	H	α-helix	trans	-76.4	-47.4	170.5	0	0	0	0	0	112.6	R336 M337 S338 N342 K343 I344	R336-A340 PolarHBondContact O-N 2.96Å; R336-A340 VanDerWaalsContact O-N 3.13Å; M337-A340 WeakPolarHBondContact O-CB 3.38Å; M337-A340 PolarHBondContact O-N 3.34Å; M337-A340 VanDerWaalsContact O-N 3.15Å; S338-A340 VanDerWaalsContact C-N 3.3Å; S338-A340 PolarHBondContact O-N 2.78Å; A340-N342 VanDerWaalsContact C-N 3.29Å; A340-N342 PolarHBondContact O-N 2.67Å; A340-K343 PolarHBondContact O-N 2.96Å; A340-K343 VanDerWaalsContact O-N 3.15Å; A340-I344 WeakPolarHBondContact O-CG1 3.15Å; A340-I344 PolarHBondContact O-N 3.4Å
341	E	49.7	Very low	53.4	Low	50 Å²	50	71.9 Å²	71.9	23%	0.234	39%	0.394	C	S	.	.	H	α-helix	trans	-54.8	-43	176.2	-75.2	172.5	-172.4	0	0	111.8	M337 S338 S345 R822 L826	M337-E341 WeakPolarHBondContact O-CG 3.41Å; M337-E341 PolarHBondContact O-N 2.93Å; S338-E341 PolarHBondContact O-N 3.03Å; E341-S345 WeakPolarHBondContact O-CB 3.37Å; E341-S345 PolarHBondContact O-N 3.06Å; E341-S345 PolarHBondContact O-OG 3.45Å; E341-R822 IonicContact OE1-CZ 3.86Å; E341-R822 IonicContact OE1-NE 2.79Å; E341-R822 PolarHBondContact OE1-NE 2.85Å; E341-R822 IonicContact OE1-NH2 2.85Å; E341-R822 PolarHBondContact OE1-NH2 3.32Å; E341-R822 IonicContact OE2-CZ 2.96Å; E341-R822 IonicContact OE2-NE 2.66Å; E341-R822 IonicContact OE2-NH2 2.65Å; E341-R822 PolarHBondContact OE2-NH2 2.8Å; E341-L826 HydrophobicContact CG-CD1 3.72Å
342	N	59.1	Low	53.3	Low	108 Å²	108	72.5 Å²	72.5	58%	0.578	40%	0.397	S	S	*	.	H	α-helix	trans	-62.1	-42.9	176.9	-75	-29.1	0	0	0	112.7	S338 A340 S345 S346	S338-N342 VanDerWaalsContact O-CG 3.31Å; S338-N342 PolarHBondContact O-N 2.85Å; S338-N342 VanDerWaalsContact O-N 3.14Å; S338-N342 PolarHBondContact O-ND2 3.07Å; A340-N342 VanDerWaalsContact C-N 3.29Å; A340-N342 PolarHBondContact O-N 2.67Å; N342-S345 PolarHBondContact O-N 2.74Å; N342-S346 PolarHBondContact O-N 3.01Å
343	K	55.9	Low	53.3	Low	122 Å²	122	72.3 Å²	72.3	53%	0.53	40%	0.399	S	S	.	.	H	α-helix	trans	-68.3	-41.7	-179.8	-70.2	164.2	-162.8	162.7	0	112	D339 A340 S345 S346 A347	D339-K343 WeakPolarHBondContact O-CD 3.25Å; D339-K343 WeakPolarHBondContact O-CE 3.48Å; D339-K343 VanDerWaalsContact O-CG 3.25Å; D339-K343 WeakPolarHBondContact O-CG 3.37Å; D339-K343 WeakPolarHBondContact OD1-CE 3.3Å; D339-K343 IonicContact OD1-NZ 3.2Å; D339-K343 PolarHBondContact OD1-NZ 3.14Å; D339-K343 WeakPolarHBondContact OD2-CE 3.4Å; D339-K343 IonicContact OD2-NZ 2.75Å; D339-K343 PolarHBondContact OD2-NZ 3.14Å; A340-K343 PolarHBondContact O-N 2.96Å; A340-K343 VanDerWaalsContact O-N 3.15Å; K343-S345 VanDerWaalsContact C-N 3.34Å; K343-S346 PolarHBondContact O-N 3.42Å; K343-A347 WeakPolarHBondContact O-CB 3.11Å; K343-A347 PolarHBondContact O-N 3.01Å
344	I	54.9	Low	53.2	Low	43 Å²	43	75.3 Å²	75.3	22%	0.221	42%	0.415	C	S	.	.	H	α-helix	trans	-65.3	-40.3	176.4	-64.2	163.6	0	0	0	110.5	A340 A347 S348 L826 V829	A340-I344 WeakPolarHBondContact O-CG1 3.15Å; A340-I344 PolarHBondContact O-N 3.4Å; I344-A347 PolarHBondContact O-N 3.4Å; I344-S348 PolarHBondContact O-N 2.91Å; I344-L826 HydrophobicContact CD1-CD1 4.01Å; I344-V829 HydrophobicContact CG2-CG1 3.54Å
345	S	52.5	Low	52.9	Low	65 Å²	65	76.3 Å²	76.3	46%	0.455	42%	0.422	S	S	.	.	H	α-helix	trans	-60.3	-51	175.9	-58.7	0	0	0	0	111.4	E341 N342 K343 A347 S348 E349	E341-S345 WeakPolarHBondContact O-CB 3.37Å; E341-S345 PolarHBondContact O-N 3.06Å; E341-S345 PolarHBondContact O-OG 3.45Å; N342-S345 PolarHBondContact O-N 2.74Å; K343-S345 VanDerWaalsContact C-N 3.34Å; S345-A347 VanDerWaalsContact C-N 3.33Å; S345-A347 PolarHBondContact O-N 3.48Å; S345-S348 WeakPolarHBondContact O-CB 3.34Å; S345-S348 PolarHBondContact O-N 2.91Å; S345-S348 PolarHBondContact O-OG 3.07Å; S345-E349 PolarHBondContact O-N 2.87Å
346	S	54.4	Low	52.5	Low	66 Å²	66	77.2 Å²	77.2	46%	0.462	43%	0.426	S	S	.	.	H	α-helix	trans	-62.2	-35.7	178.1	-174	0	0	0	0	113.4	N342 K343 S350	N342-S346 PolarHBondContact O-N 3.01Å; K343-S346 PolarHBondContact O-N 3.42Å; S346-S350 WeakPolarHBondContact O-CB 3.43Å; S346-S350 PolarHBondContact O-N 3.21Å; S346-S350 PolarHBondContact O-OG 2.9Å
347	A	51	Low	52	Low	61 Å²	61	80.8 Å²	80.8	50%	0.504	44%	0.44	S	S	.	.	H	α-helix	trans	-64.2	-40.2	172.2	0	0	0	0	0	111.9	K343 I344 S345 S350 F351	K343-A347 WeakPolarHBondContact O-CB 3.11Å; K343-A347 PolarHBondContact O-N 3.01Å; I344-A347 PolarHBondContact O-N 3.4Å; S345-A347 VanDerWaalsContact C-N 3.33Å; S345-A347 PolarHBondContact O-N 3.48Å; A347-S350 WeakPolarHBondContact O-CB 3.38Å; A347-S350 PolarHBondContact O-N 2.66Å; A347-F351 PolarHBondContact O-N 3.48Å
348	S	48.8	Very low	51.6	Low	53 Å²	53	85.8 Å²	85.8	37%	0.371	47%	0.466	S	S	.	.	H	α-helix	trans	-66.7	-39.3	178.2	81.1	0	0	0	0	113	I344 S345 F351 N352	I344-S348 PolarHBondContact O-N 2.91Å; S345-S348 WeakPolarHBondContact O-CB 3.34Å; S345-S348 PolarHBondContact O-N 2.91Å; S345-S348 PolarHBondContact O-OG 3.07Å; S348-F351 PolarHBondContact O-N 2.94Å; S348-N352 PolarHBondContact O-N 3.15Å; S348-N352 PolarHBondContact O-ND2 3.4Å; S348-N352 VanDerWaalsContact O-ND2 3.12Å
349	E	54.9	Low	50.6	Low	130 Å²	130	93.9 Å²	93.9	61%	0.607	49%	0.492	S	S	*	.	H	α-helix	trans	-64.7	-44.5	174.2	-67.7	-178.4	139.5	0	0	111.3	S345 F351 N352 V353	S345-E349 PolarHBondContact O-N 2.87Å; E349-F351 PolarHBondContact O-N 2.99Å; E349-N352 PolarHBondContact O-N 2.86Å; E349-V353 WeakPolarHBondContact O-CG2 3.35Å; E349-V353 PolarHBondContact O-N 3.06Å
350	S	50.6	Low	49.8	Very low	71 Å²	71	95.6 Å²	95.6	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-57.7	-36.5	174.9	-58.9	0	0	0	0	112	S346 A347 L354	S346-S350 WeakPolarHBondContact O-CB 3.43Å; S346-S350 PolarHBondContact O-N 3.21Å; S346-S350 PolarHBondContact O-OG 2.9Å; A347-S350 WeakPolarHBondContact O-CB 3.38Å; A347-S350 PolarHBondContact O-N 2.66Å; S350-L354 PolarHBondContact O-N 3.49Å
351	F	47.3	Very low	49.1	Very low	59 Å²	59	97.7 Å²	97.7	26%	0.259	53%	0.533	S	S	.	.	H	α-helix	trans	-73.3	-40.2	176.6	-161.6	-88.4	0	0	0	112.9	A347 S348 E349 V353 L354 L355 V836 I840	A347-F351 PolarHBondContact O-N 3.48Å; S348-F351 PolarHBondContact O-N 2.94Å; E349-F351 PolarHBondContact O-N 2.99Å; F351-V353 VanDerWaalsContact C-N 3.29Å; F351-V353 PolarHBondContact O-N 3.07Å; F351-L354 WeakPolarHBondContact O-CB 3.28Å; F351-L354 PolarHBondContact O-N 3.38Å; F351-L355 HydrophobicContact CD1-CD1 4.39Å; F351-L355 HydrophobicContact CE1-CD1 3.73Å; F351-L355 PolarHBondContact O-N 3.03Å; F351-V836 HydrophobicContact CD1-CG1 3.84Å; F351-V836 HydrophobicContact CD1-CG2 4.42Å; F351-V836 HydrophobicContact CD2-CG1 4.4Å; F351-V836 HydrophobicContact CE1-CG1 3.43Å; F351-V836 VanDerWaalsContact CE1-CG1 3.43Å; F351-V836 HydrophobicContact CE2-CG1 4.04Å; F351-V836 HydrophobicContact CG-CG1 4.32Å; F351-V836 HydrophobicContact CZ-CG1 3.55Å; F351-I840 HydrophobicContact CE2-CD1 4.02Å; F351-I840 HydrophobicContact CE2-CG1 4.43Å; F351-I840 HydrophobicContact CZ-CD1 3.76Å; F351-I840 HydrophobicContact CZ-CG1 3.74Å
352	N	49.9	Very low	48.3	Very low	95 Å²	95	100.5 Å²	100.5	51%	0.508	56%	0.558	S	S	.	*	H	α-helix	trans	-60.1	-39.6	174.9	-70.3	-39.4	0	0	0	111.7	S348 E349 L354 L355 D356	S348-N352 PolarHBondContact O-N 3.15Å; S348-N352 PolarHBondContact O-ND2 3.4Å; S348-N352 VanDerWaalsContact O-ND2 3.12Å; E349-N352 PolarHBondContact O-N 2.86Å; N352-L354 VanDerWaalsContact C-N 3.26Å; N352-L354 PolarHBondContact O-N 3.04Å; N352-L355 WeakPolarHBondContact O-CB 3.3Å; N352-L355 PolarHBondContact O-N 3.48Å; N352-L355 VanDerWaalsContact O-N 3.14Å; N352-D356 PolarHBondContact O-N 3.42Å
353	V	51.9	Low	47.1	Very low	84 Å²	84	102.8 Å²	102.8	51%	0.509	57%	0.57	S	S	.	*	H	α-helix	trans	-64.8	-27.2	175.1	173.2	0	0	0	0	112.8	E349 F351 R357	E349-V353 WeakPolarHBondContact O-CG2 3.35Å; E349-V353 PolarHBondContact O-N 3.06Å; F351-V353 VanDerWaalsContact C-N 3.29Å; F351-V353 PolarHBondContact O-N 3.07Å; V353-R357 WeakPolarHBondContact O-CD 3.45Å; V353-R357 WeakPolarHBondContact O-CG 3.48Å
354	L	49.6	Very low	46.2	Very low	100 Å²	100	101.1 Å²	101.1	52%	0.524	59%	0.587	S	S	.	*	H	α-helix	trans	-76.6	-38.9	170.9	-72.7	167.3	0	0	0	111.8	S350 F351 N352 R357 L358	S350-L354 PolarHBondContact O-N 3.49Å; F351-L354 WeakPolarHBondContact O-CB 3.28Å; F351-L354 PolarHBondContact O-N 3.38Å; N352-L354 VanDerWaalsContact C-N 3.26Å; N352-L354 PolarHBondContact O-N 3.04Å; L354-R357 PolarHBondContact O-N 2.9Å; L354-L358 WeakPolarHBondContact O-CG 3.37Å
355	L	46	Very low	45	Very low	81 Å²	81	102.7 Å²	102.7	42%	0.424	61%	0.614	S	S	.	*	H	α-helix	trans	-62.4	-44.6	179.2	-145.1	90.5	0	0	0	112	F351 N352 R357 L358	F351-L355 HydrophobicContact CD1-CD1 4.39Å; F351-L355 HydrophobicContact CE1-CD1 3.73Å; F351-L355 PolarHBondContact O-N 3.03Å; N352-L355 WeakPolarHBondContact O-CB 3.3Å; N352-L355 PolarHBondContact O-N 3.48Å; N352-L355 VanDerWaalsContact O-N 3.14Å; L355-R357 VanDerWaalsContact C-N 3.25Å; L355-R357 PolarHBondContact O-N 2.97Å; L355-L358 PolarHBondContact O-N 2.92Å; L355-L358 VanDerWaalsContact O-N 3.08Å
356	D	47.8	Very low	44	Very low	128 Å²	128	109.2 Å²	109.2	68%	0.684	64%	0.638	S	S	*	*	H	α-helix	trans	-66.6	-28	-177.3	-135.4	33.9	0	0	0	112.3	N352 L358	N352-D356 PolarHBondContact O-N 3.42Å; D356-L358 VanDerWaalsContact C-N 3.29Å; D356-L358 PolarHBondContact O-N 3.06Å
357	R	47.3	Very low	42.9	Very low	205 Å²	205	112.1 Å²	112.1	77%	0.774	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-11.8	174.5	-71	175.3	-179.9	-144.3	-0.5	114.4	V353 L354 L355	V353-R357 WeakPolarHBondContact O-CD 3.45Å; V353-R357 WeakPolarHBondContact O-CG 3.48Å; L354-R357 PolarHBondContact O-N 2.9Å; L355-R357 VanDerWaalsContact C-N 3.25Å; L355-R357 PolarHBondContact O-N 2.97Å
358	L	43.8	Very low	42.1	Very low	121 Å²	121	118.4 Å²	118.4	63%	0.634	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	0.5	-175.8	-71.4	168.8	0	0	0	113.6	L354 L355 D356 P360	L354-L358 WeakPolarHBondContact O-CG 3.37Å; L355-L358 PolarHBondContact O-N 2.92Å; L355-L358 VanDerWaalsContact O-N 3.08Å; D356-L358 VanDerWaalsContact C-N 3.29Å; D356-L358 PolarHBondContact O-N 3.06Å; L358-P360 WeakPolarHBondContact O-CD 3.19Å
359	R	38	Very low	41.1	Very low	205 Å²	205	119.7 Å²	119.7	77%	0.774	70%	0.698	S	S	*	*			trans	-97.3	115.7	-171.7	-157.2	174.1	-166.7	163.1	3.5	112.4
360	P	39.3	Very low	40	Very low	122 Å²	122	117.7 Å²	117.7	79%	0.792	71%	0.712	S	S	*	*			trans	-73.6	144.9	173.6	-13.5	29.9	0	0	0	111.5	L358	L358-P360 WeakPolarHBondContact O-CD 3.19Å
361	G	37.8	Very low	38.9	Very low	83 Å²	83	118.4 Å²	118.4	86%	0.856	73%	0.732	S	S	*	*			trans	-91.3	125.5	-177.8	0	0	0	0	0	114.7
362	S	33	Very low	38.1	Very low	108 Å²	108	119.2 Å²	119.2	76%	0.755	76%	0.757	S	S	*	*			trans	-158.5	143.2	157.2	-130.7	0	0	0	0	106
363	D	34.7	Very low	37.1	Very low	157 Å²	157	119.6 Å²	119.6	84%	0.84	77%	0.773	S	S	*	*			cis	-118.1	178	7.1	-75.3	-39.8	0	0	0	113
364	G	35.5	Very low	36.2	Very low	86 Å²	86	124 Å²	124	89%	0.887	79%	0.791	S	S	*	*			trans	-87.4	159.6	-174.8	0	0	0	0	0	115.9
365	G	31	Very low	35.3	Very low	76 Å²	76	122.7 Å²	122.7	78%	0.784	80%	0.803	S	S	*	*			trans	-161.4	139.8	171.2	0	0	0	0	0	109.4
366	E	32.2	Very low	34.5	Very low	203 Å²	203	122.8 Å²	122.8	95%	0.949	82%	0.823	S	S	*	*			trans	-62.8	138.8	-165.4	-59	170.7	107.1	0	0	115.1
367	S	30.6	Very low	33.8	Very low	126 Å²	126	120.7 Å²	120.7	88%	0.881	83%	0.832	S	S	*	*			trans	-158.2	162.6	136.1	-161.4	0	0	0	0	111.7
368	Q	33.5	Very low	33	Very low	193 Å²	193	115 Å²	115	90%	0.902	84%	0.837	S	S	*	*			trans	-106.9	146.6	-169.7	-63.2	177.7	-6.8	0	0	113.5
369	G	29	Very low	32.4	Very low	80 Å²	80	113.8 Å²	113.8	83%	0.825	84%	0.844	S	S	*	*				94.1	103.9	128.5	0	0	0	0	0	119.6
370	G	30.3	Very low	32.1	Very low	88 Å²	88	110.7 Å²	110.7	91%	0.907	85%	0.848	S	S	*	*			trans	88.8	150.9	157.8	0	0	0	0	0	116
371	G	28.7	Very low	31.8	Very low	87 Å²	87	108.8 Å²	108.8	90%	0.897	85%	0.851	S	S	*	*			cis	161.9	110	-6.6	0	0	0	0	0	112.5
372	G	30.5	Very low	31.4	Very low	76 Å²	76	108.8 Å²	108.8	78%	0.784	85%	0.851	S	S	*	*			trans	141.8	92	-177.3	0	0	0	0	0	110.8
373	A	29.2	Very low	31.4	Very low	103 Å²	103	108.1 Å²	108.1	85%	0.851	85%	0.852	S	S	*	*				79.9	80.6	57.3	0	0	0	0	0	114.1
374	I	31.6	Very low	31.2	Very low	175 Å²	175	109.5 Å²	109.5	90%	0.897	86%	0.857	S	S	*	*			trans	-128	118.7	152.5	-67.7	169.9	0	0	0	107.5
375	G	31.5	Very low	30.9	Very low	74 Å²	74	109 Å²	109	76%	0.763	85%	0.853	S	S	*	*			trans	-91.7	173.9	161.3	0	0	0	0	0	110.4
376	G	29.4	Very low	30.9	Very low	82 Å²	82	109.7 Å²	109.7	85%	0.845	86%	0.859	S	S	*	*			cis	154.9	143.1	4.9	0	0	0	0	0	109.3
377	G	32.4	Very low	30.9	Very low	85 Å²	85	103.5 Å²	103.5	88%	0.876	85%	0.85	S	S	*	*			trans	116	123.3	-172	0	0	0	0	0	111.6
378	G	30.5	Very low	31.6	Very low	85 Å²	85	106.2 Å²	106.2	88%	0.876	86%	0.855	S	S	*	*			cis	113.1	100.5	-6.6	0	0	0	0	0	113.4
379	A	31.6	Very low	32.2	Very low	96 Å²	96	100.5 Å²	100.5	79%	0.793	85%	0.848	S	S	*	*			trans	-152.3	139.3	161.5	0	0	0	0	0	110.5
380	T	31.8	Very low	32.8	Very low	139 Å²	139	102 Å²	102	85%	0.853	84%	0.836	S	S	*	*			trans	-12.1	143.2	158.4	52.3	0	0	0	0	117.9
381	G	32.8	Very low	33.9	Very low	82 Å²	82	103.7 Å²	103.7	85%	0.845	83%	0.829	S	S	*	*			cis	103.1	99.7	18.5	0	0	0	0	0	111.2
382	G	30.6	Very low	34.7	Very low	83 Å²	83	106.4 Å²	106.4	86%	0.856	82%	0.818	S	S	*	*			trans	-161	139.4	178.7	0	0	0	0	0	110.2
383	A	32	Very low	35.6	Very low	95 Å²	95	107.7 Å²	107.7	79%	0.785	81%	0.811	S	S	*	*			trans	-139.4	-175.4	-170.9	0	0	0	0	0	111.5
384	I	30.5	Very low	36.6	Very low	185 Å²	185	111.5 Å²	111.5	95%	0.949	80%	0.803	S	S	*	*			trans	86.3	132.4	176.4	-49.6	167.4	0	0	0	114.2
385	G	28.8	Very low	37.6	Very low	77 Å²	77	107.5 Å²	107.5	79%	0.794	78%	0.783	S	S	*	*			trans	136	84.6	168.2	0	0	0	0	0	114
386	G	32.2	Very low	38.7	Very low	89 Å²	89	108.2 Å²	108.2	92%	0.918	77%	0.769	S	S	*	*			trans	-85.8	146.3	174.9	0	0	0	0	0	113
387	G	30.6	Very low	39.7	Very low	73 Å²	73	109.4 Å²	109.4	75%	0.753	76%	0.756	S	S	*	*			trans	-171.1	120.2	173.4	0	0	0	0	0	112.4	G389	G387-G389 PolarHBondContact O-N 3.02Å
388	N	46.2	Very low	40.6	Very low	183 Å²	183	111 Å²	111	98%	0.979	74%	0.743	S	S	*	*	S	Bend	trans	-76.6	120	175.2	-78.9	-16	0	0	0	110.3
389	G	45	Very low	41.6	Very low	73 Å²	73	112 Å²	112	75%	0.753	72%	0.724	S	S	*	*			trans	152.2	58.8	173.6	0	0	0	0	0	114.8	G387	G387-G389 PolarHBondContact O-N 3.02Å
390	L	42.3	Very low	42.6	Very low	113 Å²	113	112.2 Å²	112.2	59%	0.592	71%	0.711	S	S	*	*			trans	-149.7	19.9	-175.1	-118.7	169.2	0	0	0	115.6	V393 R394	L390-V393 HydrophobicContact CD2-CB 4.41Å; L390-R394 HydrophobicContact CD2-CG 4.43Å
391	T	53.3	Low	43.4	Very low	122 Å²	122	110.1 Å²	110.1	75%	0.748	70%	0.695	S	S	*	*	H	α-helix	trans	-79.2	-50.8	-180	43.3	0	0	0	0	112.7	R394 L395	T391-R394 PolarHBondContact O-N 3.38Å; T391-L395 PolarHBondContact O-N 3.27Å
392	E	46.2	Very low	44.2	Very low	145 Å²	145	108.2 Å²	108.2	68%	0.678	66%	0.664	S	S	*	*	H	α-helix	trans	-71.3	-42.2	-171.1	-165.7	165.1	-146.7	0	0	113	R394 L395 N396	E392-R394 VanDerWaalsContact C-N 3.32Å; E392-R394 PolarHBondContact O-N 2.85Å; E392-L395 PolarHBondContact O-N 3.08Å; E392-N396 PolarHBondContact O-N 3.43Å
393	V	48.8	Very low	45.3	Very low	102 Å²	102	109.7 Å²	109.7	62%	0.618	65%	0.652	S	S	*	*	H	α-helix	trans	-61.4	-39.1	176.8	-179.8	0	0	0	0	111.7	L390 L397	L390-V393 HydrophobicContact CD2-CB 4.41Å; V393-L397 WeakPolarHBondContact O-CB 3.34Å; V393-L397 PolarHBondContact O-N 3.1Å
394	R	50	Low	46.1	Very low	183 Å²	183	111.7 Å²	111.7	69%	0.691	64%	0.644	S	S	*	*	H	α-helix	trans	-70.5	-34	176.3	-93.5	-176.2	161.3	-173.7	-5.7	113	L390 T391 E392 L398	L390-R394 HydrophobicContact CD2-CG 4.43Å; T391-R394 PolarHBondContact O-N 3.38Å; E392-R394 VanDerWaalsContact C-N 3.32Å; E392-R394 PolarHBondContact O-N 2.85Å; R394-L398 PolarHBondContact O-N 3.19Å; R394-L398 VanDerWaalsContact O-N 3.1Å
395	L	52.9	Low	47.1	Very low	91 Å²	91	107.2 Å²	107.2	48%	0.476	62%	0.621	S	S	.	*	H	α-helix	trans	-68.7	-41.1	176.9	-141.9	78.3	0	0	0	111.5	T391 E392 L398 K399	T391-L395 PolarHBondContact O-N 3.27Å; E392-L395 PolarHBondContact O-N 3.08Å; L395-L398 PolarHBondContact O-N 3.37Å; L395-K399 PolarHBondContact O-N 2.97Å; L395-K399 VanDerWaalsContact O-N 3.13Å
396	N	54.4	Low	48.1	Very low	90 Å²	90	106.9 Å²	106.9	48%	0.481	60%	0.601	S	S	.	*	H	α-helix	trans	-68.4	-41	176.1	-67.4	-20.2	0	0	0	111.7	E392 L398 K399 D400	E392-N396 PolarHBondContact O-N 3.43Å; N396-L398 VanDerWaalsContact C-N 3.28Å; N396-L398 PolarHBondContact O-N 2.78Å; N396-K399 PolarHBondContact O-N 3.08Å; N396-K399 VanDerWaalsContact O-N 3.11Å; N396-D400 PolarHBondContact O-N 3.08Å
397	L	51.5	Low	49	Very low	107 Å²	107	105.4 Å²	105.4	56%	0.56	58%	0.577	S	S	*	*	H	α-helix	trans	-61.6	-34.7	174.8	-170.9	69	0	0	0	112.7	V393 L401	V393-L397 WeakPolarHBondContact O-CB 3.34Å; V393-L397 PolarHBondContact O-N 3.1Å; L397-L401 PolarHBondContact O-N 3.46Å
398	L	51.5	Low	49.7	Very low	117 Å²	117	104.7 Å²	104.7	61%	0.613	56%	0.56	S	S	*	*	H	α-helix	trans	-66.5	-41.1	172.7	-98.3	158	0	0	0	112.2	R394 L395 N396 L401 E402	R394-L398 PolarHBondContact O-N 3.19Å; R394-L398 VanDerWaalsContact O-N 3.1Å; L395-L398 PolarHBondContact O-N 3.37Å; N396-L398 VanDerWaalsContact C-N 3.28Å; N396-L398 PolarHBondContact O-N 2.78Å; L398-L401 PolarHBondContact O-N 3.1Å; L398-E402 VanDerWaalsContact O-CB 3.32Å; L398-E402 WeakPolarHBondContact O-CB 3.35Å; L398-E402 PolarHBondContact O-N 2.98Å
399	K	51.6	Low	49.9	Very low	107 Å²	107	99.8 Å²	99.8	47%	0.465	54%	0.537	S	S	.	.	H	α-helix	trans	-66.9	-38.8	175.1	-101.5	179.7	172.1	178.1	0	113.4	L395 N396 E402 L403 W855	L395-K399 PolarHBondContact O-N 2.97Å; L395-K399 VanDerWaalsContact O-N 3.13Å; N396-K399 PolarHBondContact O-N 3.08Å; N396-K399 VanDerWaalsContact O-N 3.11Å; K399-E402 PolarHBondContact O-N 3.2Å; K399-L403 WeakPolarHBondContact O-CB 3.5Å; K399-L403 WeakPolarHBondContact O-CG 3.5Å; K399-L403 PolarHBondContact O-N 3.32Å; K399-W855 HydrophobicContact CG-CZ2 4.38Å
400	D	50.9	Low	50.2	Low	100 Å²	100	99.3 Å²	99.3	54%	0.535	52%	0.517	S	S	.	.	H	α-helix	trans	-65.9	-40.2	173.7	-79.6	-10.7	0	0	0	110.9	N396 L403 H404	N396-D400 PolarHBondContact O-N 3.08Å; D400-L403 PolarHBondContact O-N 2.92Å; D400-H404 WeakPolarHBondContact O-CB 3.11Å; D400-H404 PolarHBondContact O-N 3Å
401	L	50.4	Low	50.5	Low	96 Å²	96	99.4 Å²	99.4	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-61.9	-46.3	172.8	-117.2	79.3	0	0	0	112.1	L397 L398 H404 I405	L397-L401 PolarHBondContact O-N 3.46Å; L398-L401 PolarHBondContact O-N 3.1Å; L401-H404 PolarHBondContact O-N 3.4Å; L401-I405 HydrophobicContact CB-CD1 4.49Å; L401-I405 HydrophobicContact CD2-CD1 4.23Å; L401-I405 HydrophobicContact CG-CD1 4.18Å; L401-I405 VanDerWaalsContact O-CB 3.31Å; L401-I405 WeakPolarHBondContact O-CB 3.07Å; L401-I405 VanDerWaalsContact O-CG1 3.25Å; L401-I405 WeakPolarHBondContact O-CG1 3.37Å; L401-I405 PolarHBondContact O-N 3.33Å
402	E	48.2	Very low	50.1	Low	42 Å²	42	98.3 Å²	98.3	20%	0.196	51%	0.507	C	S	.	.	H	α-helix	trans	-57.3	-49.2	176.9	171.7	173.6	-126.9	0	0	111.1	L398 K399 N406 M851 W855	L398-E402 VanDerWaalsContact O-CB 3.32Å; L398-E402 WeakPolarHBondContact O-CB 3.35Å; L398-E402 PolarHBondContact O-N 2.98Å; K399-E402 PolarHBondContact O-N 3.2Å; E402-N406 WeakPolarHBondContact O-CB 3.36Å; E402-N406 PolarHBondContact O-N 3.31Å; E402-M851 HydrophobicContact CB-CE 3.98Å; E402-M851 HydrophobicContact CG-CE 3.63Å; E402-M851 HydrophobicContact CG-SD 4.18Å; E402-W855 PolarHBondContact OE1-NE1 3.49Å; E402-W855 WeakPolarHBondContact OE2-CZ2 3.42Å
403	L	53.9	Low	50.2	Low	114 Å²	114	94.2 Å²	94.2	60%	0.597	49%	0.494	S	S	*	.	H	α-helix	trans	-64.7	-45.3	176.7	-75.3	167.5	0	0	0	112.6	K399 D400 S407	K399-L403 WeakPolarHBondContact O-CB 3.5Å; K399-L403 WeakPolarHBondContact O-CG 3.5Å; K399-L403 PolarHBondContact O-N 3.32Å; D400-L403 PolarHBondContact O-N 2.92Å; L403-S407 VanDerWaalsContact O-CB 3.32Å; L403-S407 WeakPolarHBondContact O-CB 3.34Å; L403-S407 PolarHBondContact O-N 3.26Å; L403-S407 PolarHBondContact O-OG 3.04Å
404	H	49.3	Very low	50.3	Low	136 Å²	136	92.1 Å²	92.1	63%	0.63	48%	0.484	S	S	*	.	H	α-helix	trans	-66.7	-43.5	-179.4	-111.5	-71.3	0	0	0	112.6	D400 L401 S407 S408	D400-H404 WeakPolarHBondContact O-CB 3.11Å; D400-H404 PolarHBondContact O-N 3Å; L401-H404 PolarHBondContact O-N 3.4Å; H404-S407 PolarHBondContact O-OG 3.13Å; H404-S408 WeakPolarHBondContact O-CB 3.45Å; H404-S408 PolarHBondContact O-N 3.1Å; H404-S408 PolarHBondContact O-OG 3.13Å
405	I	52.1	Low	50.1	Low	91 Å²	91	88.3 Å²	88.3	47%	0.467	47%	0.474	S	S	.	.	H	α-helix	trans	-70.7	-46.3	-178.9	-66.3	167.8	0	0	0	110	L401 V409	L401-I405 HydrophobicContact CB-CD1 4.49Å; L401-I405 HydrophobicContact CD2-CD1 4.23Å; L401-I405 HydrophobicContact CG-CD1 4.18Å; L401-I405 VanDerWaalsContact O-CB 3.31Å; L401-I405 WeakPolarHBondContact O-CB 3.07Å; L401-I405 VanDerWaalsContact O-CG1 3.25Å; L401-I405 WeakPolarHBondContact O-CG1 3.37Å; L401-I405 PolarHBondContact O-N 3.33Å; I405-V409 HydrophobicContact CG2-CG2 4.15Å; I405-V409 WeakPolarHBondContact O-CB 3.44Å; I405-V409 VanDerWaalsContact O-CG2 3.31Å; I405-V409 WeakPolarHBondContact O-CG2 3.34Å; I405-V409 PolarHBondContact O-N 2.86Å
406	N	49.5	Very low	49.9	Very low	70 Å²	70	89.3 Å²	89.3	37%	0.374	48%	0.479	S	S	.	.	H	α-helix	trans	-67.7	-39	-176.6	-159.8	6.1	0	0	0	111.9	E402 L410	E402-N406 WeakPolarHBondContact O-CB 3.36Å; E402-N406 PolarHBondContact O-N 3.31Å; N406-L410 VanDerWaalsContact O-CB 3.28Å; N406-L410 WeakPolarHBondContact O-CB 3.37Å; N406-L410 VanDerWaalsContact O-CG 3.27Å; N406-L410 WeakPolarHBondContact O-CG 3.26Å; N406-L410 PolarHBondContact O-N 3.34Å; N406-L410 WeakPolarHBondContact OD1-CD1 3.5Å
407	S	49.4	Very low	49.6	Very low	58 Å²	58	88.5 Å²	88.5	41%	0.406	47%	0.472	S	S	.	.	H	α-helix	trans	-69.9	-53.7	172.9	57.7	0	0	0	0	112.5	L403 H404 V409 Q411	L403-S407 VanDerWaalsContact O-CB 3.32Å; L403-S407 WeakPolarHBondContact O-CB 3.34Å; L403-S407 PolarHBondContact O-N 3.26Å; L403-S407 PolarHBondContact O-OG 3.04Å; H404-S407 PolarHBondContact O-OG 3.13Å; S407-V409 PolarHBondContact O-N 3.39Å; S407-Q411 WeakPolarHBondContact O-CB 3.29Å; S407-Q411 PolarHBondContact O-N 3.39Å
408	S	46.6	Very low	49.6	Very low	58 Å²	58	85.9 Å²	85.9	41%	0.406	47%	0.466	S	S	.	.	H	α-helix	trans	-65.2	-42.9	-172	-49.1	0	0	0	0	112.5	H404 V412	H404-S408 WeakPolarHBondContact O-CB 3.45Å; H404-S408 PolarHBondContact O-N 3.1Å; H404-S408 PolarHBondContact O-OG 3.13Å; S408-V412 WeakPolarHBondContact O-CB 3.39Å; S408-V412 WeakPolarHBondContact O-CG2 3.44Å; S408-V412 PolarHBondContact O-N 2.89Å; S408-V412 VanDerWaalsContact O-N 3.14Å
409	V	50	Low	49.5	Very low	81 Å²	81	85.4 Å²	85.4	49%	0.491	46%	0.464	S	S	.	.	H	α-helix	trans	-74.5	-47.1	-176.9	-179.2	0	0	0	0	110.8	I405 S407 Q411 C413	I405-V409 HydrophobicContact CG2-CG2 4.15Å; I405-V409 WeakPolarHBondContact O-CB 3.44Å; I405-V409 VanDerWaalsContact O-CG2 3.31Å; I405-V409 WeakPolarHBondContact O-CG2 3.34Å; I405-V409 PolarHBondContact O-N 2.86Å; S407-V409 PolarHBondContact O-N 3.39Å; V409-Q411 PolarHBondContact O-N 2.88Å; V409-C413 WeakPolarHBondContact O-CB 3.38Å; V409-C413 PolarHBondContact O-N 3.01Å; V409-C413 PolarHBondContact O-SG 2.96Å; V409-C413 VanDerWaalsContact O-SG 3.4Å
410	L	50.6	Low	49.5	Very low	62 Å²	62	85.2 Å²	85.2	33%	0.325	47%	0.468	S	S	.	.	H	α-helix	trans	-65.5	-38	179.9	-66.1	-173.6	0	0	0	112.5	N406 S414 K844	N406-L410 VanDerWaalsContact O-CB 3.28Å; N406-L410 WeakPolarHBondContact O-CB 3.37Å; N406-L410 VanDerWaalsContact O-CG 3.27Å; N406-L410 WeakPolarHBondContact O-CG 3.26Å; N406-L410 PolarHBondContact O-N 3.34Å; N406-L410 WeakPolarHBondContact OD1-CD1 3.5Å; L410-S414 VanDerWaalsContact O-CB 3.31Å; L410-S414 WeakPolarHBondContact O-CB 3.36Å; L410-S414 PolarHBondContact O-N 3.02Å; L410-S414 VanDerWaalsContact O-N 3.07Å; L410-S414 PolarHBondContact O-OG 3.29Å; L410-K844 HydrophobicContact CD2-CD 3.74Å; L410-K844 HydrophobicContact CD2-CG 3.97Å
411	Q	48.4	Very low	49.5	Very low	116 Å²	116	85.9 Å²	85.9	54%	0.542	46%	0.463	S	S	.	.	H	α-helix	trans	-72	-41.7	-179.3	-166.7	167.5	-5	0	0	111.8	S407 V409 S414 H415	S407-Q411 WeakPolarHBondContact O-CB 3.29Å; S407-Q411 PolarHBondContact O-N 3.39Å; V409-Q411 PolarHBondContact O-N 2.88Å; Q411-S414 PolarHBondContact O-OG 2.88Å; Q411-H415 WeakPolarHBondContact O-CB 3.31Å; Q411-H415 PolarHBondContact O-N 2.84Å; Q411-H415 VanDerWaalsContact O-N 3.12Å; Q411-H415 PolarHBondContact O-ND1 3.14Å
412	V	46.9	Very low	49.9	Very low	99 Å²	99	86.2 Å²	86.2	60%	0.6	46%	0.461	S	S	*	.	H	α-helix	trans	-66.1	-45.6	176	171	0	0	0	0	111.7	S408 L416	S408-V412 WeakPolarHBondContact O-CB 3.39Å; S408-V412 WeakPolarHBondContact O-CG2 3.44Å; S408-V412 PolarHBondContact O-N 2.89Å; S408-V412 VanDerWaalsContact O-N 3.14Å; V412-L416 VanDerWaalsContact O-CB 3.26Å; V412-L416 WeakPolarHBondContact O-CB 3.49Å; V412-L416 PolarHBondContact O-N 3.04Å
413	C	47.9	Very low	50	Low	58 Å²	58	90.4 Å²	90.4	39%	0.392	48%	0.479	S	S	.	.	H	α-helix	trans	-63.9	-43.3	179.1	-70.5	0	0	0	0	112.4	V409 E417	V409-C413 WeakPolarHBondContact O-CB 3.38Å; V409-C413 PolarHBondContact O-N 3.01Å; V409-C413 PolarHBondContact O-SG 2.96Å; V409-C413 VanDerWaalsContact O-SG 3.4Å; C413-E417 WeakPolarHBondContact O-CB 3.14Å; C413-E417 PolarHBondContact O-N 2.86Å; C413-E417 VanDerWaalsContact O-N 3.08Å
414	S	49.8	Very low	49.9	Very low	59 Å²	59	86.7 Å²	86.7	41%	0.413	46%	0.461	S	S	.	.	H	α-helix	trans	-70.3	-35.5	-178.5	54.9	0	0	0	0	114.1	L410 Q411 A418	L410-S414 VanDerWaalsContact O-CB 3.31Å; L410-S414 WeakPolarHBondContact O-CB 3.36Å; L410-S414 PolarHBondContact O-N 3.02Å; L410-S414 VanDerWaalsContact O-N 3.07Å; L410-S414 PolarHBondContact O-OG 3.29Å; Q411-S414 PolarHBondContact O-OG 2.88Å; S414-A418 WeakPolarHBondContact O-CB 3.34Å; S414-A418 PolarHBondContact O-N 3.25Å
415	H	47.2	Very low	50.1	Low	103 Å²	103	85.1 Å²	85.1	48%	0.477	45%	0.454	S	S	.	.	H	α-helix	trans	-72	-44.5	175.6	-72.1	41.9	0	0	0	110.8	Q411 E417 A418 D419	Q411-H415 WeakPolarHBondContact O-CB 3.31Å; Q411-H415 PolarHBondContact O-N 2.84Å; Q411-H415 VanDerWaalsContact O-N 3.12Å; Q411-H415 PolarHBondContact O-ND1 3.14Å; H415-E417 VanDerWaalsContact C-N 3.28Å; H415-E417 PolarHBondContact O-N 3Å; H415-A418 PolarHBondContact O-N 3.27Å; H415-D419 WeakPolarHBondContact O-CB 3.36Å; H415-D419 VanDerWaalsContact O-CG 3.3Å; H415-D419 PolarHBondContact O-N 3.38Å
416	L	47.9	Very low	50.5	Low	111 Å²	111	87.9 Å²	87.9	58%	0.581	46%	0.459	S	S	*	.	H	α-helix	trans	-61.9	-36.4	179.6	-165.4	74.8	0	0	0	112.4	V412 L420	V412-L416 VanDerWaalsContact O-CB 3.26Å; V412-L416 WeakPolarHBondContact O-CB 3.49Å; V412-L416 PolarHBondContact O-N 3.04Å; L416-L420 HydrophobicContact CG-CD1 4.43Å; L416-L420 WeakPolarHBondContact O-CB 3.49Å; L416-L420 PolarHBondContact O-N 3.45Å
417	E	47.2	Very low	50.7	Low	74 Å²	74	88.5 Å²	88.5	35%	0.346	46%	0.459	S	S	.	.	H	α-helix	trans	-66.4	-47.8	174.7	-173.8	-177.1	152.4	0	0	112	C413 H415 R421 S837	C413-E417 WeakPolarHBondContact O-CB 3.14Å; C413-E417 PolarHBondContact O-N 2.86Å; C413-E417 VanDerWaalsContact O-N 3.08Å; H415-E417 VanDerWaalsContact C-N 3.28Å; H415-E417 PolarHBondContact O-N 3Å; E417-R421 WeakPolarHBondContact O-CB 3.3Å; E417-R421 PolarHBondContact O-N 2.99Å; E417-R421 VanDerWaalsContact O-N 3.09Å; E417-S837 WeakPolarHBondContact OE1-CB 3.43Å; E417-S837 PolarHBondContact OE1-OG 3.33Å
418	A	52.8	Low	50.9	Low	52 Å²	52	87.3 Å²	87.3	43%	0.43	45%	0.448	S	S	.	.	H	α-helix	trans	-64.1	-48.5	179.4	0	0	0	0	0	112.2	S414 H415 L420 R421 E422	S414-A418 WeakPolarHBondContact O-CB 3.34Å; S414-A418 PolarHBondContact O-N 3.25Å; H415-A418 PolarHBondContact O-N 3.27Å; A418-L420 PolarHBondContact O-N 2.72Å; A418-R421 PolarHBondContact O-N 3.14Å; A418-E422 WeakPolarHBondContact O-CB 3.49Å; A418-E422 PolarHBondContact O-N 2.82Å
419	D	49.3	Very low	51.4	Low	107 Å²	107	89 Å²	89	57%	0.572	45%	0.453	S	S	*	.	H	α-helix	trans	-61.1	-42.4	-178.6	-70.6	-22	0	0	0	111.5	H415 F423	H415-D419 WeakPolarHBondContact O-CB 3.36Å; H415-D419 VanDerWaalsContact O-CG 3.3Å; H415-D419 PolarHBondContact O-N 3.38Å; D419-F423 WeakPolarHBondContact O-CB 3.49Å; D419-F423 PolarHBondContact O-N 3.01Å
420	L	50.4	Low	51.7	Low	103 Å²	103	90.6 Å²	90.6	54%	0.539	46%	0.459	S	S	.	.	H	α-helix	trans	-64.9	-43.5	175.4	-99.5	156.6	0	0	0	112.2	L416 A418 V424	L416-L420 HydrophobicContact CG-CD1 4.43Å; L416-L420 WeakPolarHBondContact O-CB 3.49Å; L416-L420 PolarHBondContact O-N 3.45Å; A418-L420 PolarHBondContact O-N 2.72Å; L420-V424 WeakPolarHBondContact O-CB 3.38Å; L420-V424 VanDerWaalsContact O-CG2 3.3Å; L420-V424 WeakPolarHBondContact O-CG2 3.09Å; L420-V424 PolarHBondContact O-N 2.99Å
421	R	52.3	Low	51.7	Low	114 Å²	114	89.7 Å²	89.7	43%	0.43	45%	0.454	S	S	.	.	H	α-helix	trans	-66	-44.1	-178.5	-156	174.4	-158.6	-79.5	6.5	111.1	E417 A418 Q425 D834	E417-R421 WeakPolarHBondContact O-CB 3.3Å; E417-R421 PolarHBondContact O-N 2.99Å; E417-R421 VanDerWaalsContact O-N 3.09Å; A418-R421 PolarHBondContact O-N 3.14Å; R421-Q425 VanDerWaalsContact NH1-OE1 3.13Å; R421-Q425 WeakPolarHBondContact O-CB 3.43Å; R421-Q425 WeakPolarHBondContact O-CG 3.3Å; R421-Q425 PolarHBondContact O-N 3.41Å; R421-Q425 VanDerWaalsContact O-N 3.09Å; R421-D834 IonicContact CZ-OD1 3.24Å; R421-D834 IonicContact NE-OD1 2.63Å; R421-D834 PolarHBondContact NE-OD1 3.15Å; R421-D834 IonicContact NH2-OD1 3.37Å; R421-D834 PolarHBondContact NH2-OD1 3.14Å; R421-D834 IonicContact NH2-OD2 2.74Å; R421-D834 PolarHBondContact NH2-OD2 3.22Å
422	E	58.5	Low	52	Low	102 Å²	102	91.6 Å²	91.6	48%	0.477	46%	0.456	S	S	.	.	H	α-helix	trans	-71.3	-35.4	179.4	-154.5	-174.8	132.4	0	0	112.5	A418 R426	A418-E422 WeakPolarHBondContact O-CB 3.49Å; A418-E422 PolarHBondContact O-N 2.82Å; E422-R426 PolarHBondContact O-N 3.41Å; E422-R426 IonicContact OE1-CZ 2.89Å; E422-R426 IonicContact OE1-NH1 2.69Å; E422-R426 PolarHBondContact OE1-NH1 3.13Å; E422-R426 IonicContact OE1-NH2 3.15Å; E422-R426 PolarHBondContact OE1-NH2 3.34Å
423	F	50.3	Low	52.5	Low	131 Å²	131	91.3 Å²	91.3	58%	0.575	46%	0.455	S	S	*	.	H	α-helix	trans	-66.8	-49.1	174.7	-179.1	-99.4	0	0	0	112.3	D419 Q425 R426 E427	D419-F423 WeakPolarHBondContact O-CB 3.49Å; D419-F423 PolarHBondContact O-N 3.01Å; F423-Q425 PolarHBondContact O-N 2.75Å; F423-R426 PolarHBondContact O-N 3.21Å; F423-E427 HydrophobicContact CE1-CG 4.37Å; F423-E427 HydrophobicContact CZ-CG 4.17Å; F423-E427 PolarHBondContact O-N 2.99Å
424	V	51.5	Low	52.6	Low	36 Å²	36	91.2 Å²	91.2	22%	0.218	46%	0.458	C	S	.	.	H	α-helix	trans	-66.2	-37.7	-179	171.6	0	0	0	0	111.7	L420 L428	L420-V424 WeakPolarHBondContact O-CB 3.38Å; L420-V424 VanDerWaalsContact O-CG2 3.3Å; L420-V424 WeakPolarHBondContact O-CG2 3.09Å; L420-V424 PolarHBondContact O-N 2.99Å; V424-L428 HydrophobicContact CG1-CD1 4Å; V424-L428 WeakPolarHBondContact O-CD1 3.49Å; V424-L428 WeakPolarHBondContact O-CG 3.42Å; V424-L428 PolarHBondContact O-N 3.06Å
425	Q	52.8	Low	52.6	Low	102 Å²	102	92.2 Å²	92.2	48%	0.477	46%	0.455	S	S	.	.	H	α-helix	trans	-67	-38.5	176	-72.6	-170.7	-110.5	0	0	112.5	R421 F423 L428 D429	R421-Q425 VanDerWaalsContact NH1-OE1 3.13Å; R421-Q425 WeakPolarHBondContact O-CB 3.43Å; R421-Q425 WeakPolarHBondContact O-CG 3.3Å; R421-Q425 PolarHBondContact O-N 3.41Å; R421-Q425 VanDerWaalsContact O-N 3.09Å; F423-Q425 PolarHBondContact O-N 2.75Å; Q425-L428 PolarHBondContact O-N 3.44Å; Q425-D429 PolarHBondContact O-N 3.13Å; Q425-D429 VanDerWaalsContact O-N 3.13Å
426	R	61.4	Low	52.5	Low	150 Å²	150	90.2 Å²	90.2	57%	0.566	45%	0.452	S	S	*	.	H	α-helix	trans	-64.4	-49.9	176.9	-81.7	-160.8	-175.6	87.1	8.7	113.7	E422 F423 L428 D429 D430	E422-R426 PolarHBondContact O-N 3.41Å; E422-R426 IonicContact OE1-CZ 2.89Å; E422-R426 IonicContact OE1-NH1 2.69Å; E422-R426 PolarHBondContact OE1-NH1 3.13Å; E422-R426 IonicContact OE1-NH2 3.15Å; E422-R426 PolarHBondContact OE1-NH2 3.34Å; F423-R426 PolarHBondContact O-N 3.21Å; R426-L428 PolarHBondContact O-N 2.92Å; R426-D429 PolarHBondContact O-N 3.12Å; R426-D430 PolarHBondContact O-N 3.48Å
427	E	53.5	Low	52.3	Low	83 Å²	83	91.9 Å²	91.9	39%	0.388	46%	0.457	S	S	.	.	H	α-helix	trans	-59.8	-33.5	180	-74.7	-80.7	138.6	0	0	111.2	R336 F423 L431	R336-E427 IonicContact NH2-OE2 2.66Å; F423-E427 HydrophobicContact CE1-CG 4.37Å; F423-E427 HydrophobicContact CZ-CG 4.17Å; F423-E427 PolarHBondContact O-N 2.99Å; E427-L431 VanDerWaalsContact O-CB 3.27Å; E427-L431 WeakPolarHBondContact O-CB 3.38Å; E427-L431 WeakPolarHBondContact O-CD1 3.39Å; E427-L431 WeakPolarHBondContact O-CG 3.49Å; E427-L431 PolarHBondContact O-N 3.36Å
428	L	53.6	Low	52.3	Low	33 Å²	33	94.5 Å²	94.5	17%	0.173	46%	0.464	C	S	.	.	H	α-helix	trans	-70.3	-43.1	176.5	-75	168.9	0	0	0	113.5	V424 Q425 R426 R432 L823 L826	V424-L428 HydrophobicContact CG1-CD1 4Å; V424-L428 WeakPolarHBondContact O-CD1 3.49Å; V424-L428 WeakPolarHBondContact O-CG 3.42Å; V424-L428 PolarHBondContact O-N 3.06Å; Q425-L428 PolarHBondContact O-N 3.44Å; R426-L428 PolarHBondContact O-N 2.92Å; L428-R432 VanDerWaalsContact O-CB 3.26Å; L428-R432 WeakPolarHBondContact O-CB 3.07Å; L428-R432 PolarHBondContact O-N 3.21Å; L428-L823 HydrophobicContact CD2-CD2 3.7Å; L428-L826 HydrophobicContact CD2-CD2 4.03Å
429	D	56.9	Low	52	Low	93 Å²	93	95.9 Å²	95.9	50%	0.497	46%	0.46	S	S	.	.	H	α-helix	trans	-71.2	-36.1	178.4	-80.7	-30.2	0	0	0	112.7	Q425 R426 R432 T433	Q425-D429 PolarHBondContact O-N 3.13Å; Q425-D429 VanDerWaalsContact O-N 3.13Å; R426-D429 PolarHBondContact O-N 3.12Å; D429-R432 PolarHBondContact O-N 3.5Å; D429-T433 WeakPolarHBondContact O-CG2 3.42Å; D429-T433 PolarHBondContact O-N 3.29Å; D429-T433 PolarHBondContact O-OG1 3.18Å
430	D	55.5	Low	51.6	Low	115 Å²	115	96 Å²	96	62%	0.615	46%	0.461	S	S	*	.	H	α-helix	trans	-67.5	-41.8	173.6	-88.9	10.2	0	0	0	111.4	R426 T433 A434	R426-D430 PolarHBondContact O-N 3.48Å; D430-T433 PolarHBondContact O-OG1 3.16Å; D430-A434 VanDerWaalsContact O-CB 3.24Å; D430-A434 WeakPolarHBondContact O-CB 3.39Å; D430-A434 PolarHBondContact O-N 3.18Å
431	L	51.8	Low	51.3	Low	43 Å²	43	95.9 Å²	95.9	23%	0.225	46%	0.461	C	S	.	.	H	α-helix	trans	-61.7	-42.9	172.6	-76.8	168.4	0	0	0	111.7	L333 E427 F435	L333-L431 HydrophobicContact CD1-CD2 3.84Å; L333-L431 HydrophobicContact CD2-CD2 4.1Å; L333-L431 HydrophobicContact CG-CD2 4.06Å; E427-L431 VanDerWaalsContact O-CB 3.27Å; E427-L431 WeakPolarHBondContact O-CB 3.38Å; E427-L431 WeakPolarHBondContact O-CD1 3.39Å; E427-L431 WeakPolarHBondContact O-CG 3.49Å; E427-L431 PolarHBondContact O-N 3.36Å; L431-F435 WeakPolarHBondContact O-CB 3.4Å; L431-F435 PolarHBondContact O-N 3.12Å
432	R	54.5	Low	50.8	Low	156 Å²	156	94.2 Å²	94.2	59%	0.589	45%	0.454	S	S	*	.	H	α-helix	trans	-63	-47.3	179.9	-173.4	-179.4	-164.8	130.3	10.8	112.2	L428 D429 F435 S436	L428-R432 VanDerWaalsContact O-CB 3.26Å; L428-R432 WeakPolarHBondContact O-CB 3.07Å; L428-R432 PolarHBondContact O-N 3.21Å; D429-R432 PolarHBondContact O-N 3.5Å; R432-F435 PolarHBondContact O-N 3.36Å; R432-S436 PolarHBondContact O-N 2.95Å
433	T	56.4	Low	50	Low	93 Å²	93	93 Å²	93	57%	0.571	45%	0.454	S	S	*	.	H	α-helix	trans	-70.3	-36.9	-179.7	50	0	0	0	0	112.4	D429 D430 F435	D429-T433 WeakPolarHBondContact O-CG2 3.42Å; D429-T433 PolarHBondContact O-N 3.29Å; D429-T433 PolarHBondContact O-OG1 3.18Å; D430-T433 PolarHBondContact O-OG1 3.16Å; T433-F435 VanDerWaalsContact C-N 3.29Å; T433-F435 PolarHBondContact O-N 3.47Å
434	A	50.4	Low	49.5	Very low	55 Å²	55	94.1 Å²	94.1	46%	0.455	46%	0.459	S	S	.	.	H	α-helix	trans	-67.1	-27.4	172.8	0	0	0	0	0	113.4	D430	D430-A434 VanDerWaalsContact O-CB 3.24Å; D430-A434 WeakPolarHBondContact O-CB 3.39Å; D430-A434 PolarHBondContact O-N 3.18Å
435	F	49.7	Very low	49.1	Very low	81 Å²	81	96 Å²	96	36%	0.355	46%	0.462	S	S	.	.	H	α-helix	trans	-73.3	-58.7	178.4	-176.7	-103	0	0	0	112.1	L431 R432 T433 H437 R438 F439 L819	L431-F435 WeakPolarHBondContact O-CB 3.4Å; L431-F435 PolarHBondContact O-N 3.12Å; R432-F435 PolarHBondContact O-N 3.36Å; T433-F435 VanDerWaalsContact C-N 3.29Å; T433-F435 PolarHBondContact O-N 3.47Å; F435-H437 PolarHBondContact O-N 3.12Å; F435-R438 PolarHBondContact O-N 3.12Å; F435-R438 VanDerWaalsContact O-N 3.15Å; F435-F439 HydrophobicContact CE1-CD2 4.48Å; F435-F439 HydrophobicContact CE2-CD2 4.25Å; F435-F439 HydrophobicContact CE2-CE2 4.24Å; F435-F439 HydrophobicContact CZ-CD2 4.06Å; F435-F439 HydrophobicContact CZ-CE2 4.06Å; F435-F439 PolarHBondContact O-N 3.36Å; F435-L819 HydrophobicContact CE2-CD2 4.46Å
436	S	45	Very low	48.7	Very low	60 Å²	60	95.2 Å²	95.2	42%	0.42	46%	0.46	S	S	.	.	H	α-helix	trans	-56.9	-48.1	-175.8	-62.9	0	0	0	0	112.7	R432 R438 F439 D440	R432-S436 PolarHBondContact O-N 2.95Å; S436-R438 PolarHBondContact O-N 3.38Å; S436-F439 PolarHBondContact O-N 3.29Å; S436-D440 PolarHBondContact O-N 3.13Å; S436-D440 VanDerWaalsContact O-N 3.15Å
437	H	45.5	Very low	47.6	Very low	147 Å²	147	93.5 Å²	93.5	68%	0.681	46%	0.459	S	S	*	.	H	α-helix	trans	-62.7	-19.8	-176.7	-162.2	-41.2	0	0	0	113.4	F435	F435-H437 PolarHBondContact O-N 3.12Å
438	R	47.2	Very low	47	Very low	129 Å²	129	94 Å²	94	49%	0.487	46%	0.464	S	S	.	.	H	α-helix	trans	-98.3	-2.7	176.2	-61.8	-149.6	-48.7	-141.9	11	114.8	S329 F435 S436 R442	S329-R438 PolarHBondContact OG-NH2 3.21Å; F435-R438 PolarHBondContact O-N 3.12Å; F435-R438 VanDerWaalsContact O-N 3.15Å; S436-R438 PolarHBondContact O-N 3.38Å; R438-R442 PolarHBondContact O-NH1 3.46Å
439	F	45.6	Very low	46.5	Very low	81 Å²	81	93.9 Å²	93.9	36%	0.355	46%	0.464	S	S	.	.	H	α-helix	trans	-93.8	-48.8	169.7	-117.9	-85.7	0	0	0	110.6	F435 S436 D441 R442 T443	F435-F439 HydrophobicContact CE1-CD2 4.48Å; F435-F439 HydrophobicContact CE2-CD2 4.25Å; F435-F439 HydrophobicContact CE2-CE2 4.24Å; F435-F439 HydrophobicContact CZ-CD2 4.06Å; F435-F439 HydrophobicContact CZ-CE2 4.06Å; F435-F439 PolarHBondContact O-N 3.36Å; S436-F439 PolarHBondContact O-N 3.29Å; F439-D441 PolarHBondContact O-N 3.5Å; F439-R442 PolarHBondContact O-N 2.92Å; F439-T443 PolarHBondContact O-N 3.4Å; F439-T443 VanDerWaalsContact O-N 3.12Å; F439-T443 PolarHBondContact O-OG1 3.08Å
440	D	41.4	Very low	45.7	Very low	110 Å²	110	95.1 Å²	95.1	59%	0.588	47%	0.467	S	S	*	.	H	α-helix	trans	-60.8	-40.6	-176.6	-60.4	-30.6	0	0	0	112.8	S436 R442 T443 F444	S436-D440 PolarHBondContact O-N 3.13Å; S436-D440 VanDerWaalsContact O-N 3.15Å; D440-R442 PolarHBondContact O-N 3.46Å; D440-R442 VanDerWaalsContact O-N 3.17Å; D440-T443 PolarHBondContact O-N 2.77Å; D440-F444 PolarHBondContact O-N 2.97Å
441	D	44.1	Very low	45.2	Very low	100 Å²	100	94.8 Å²	94.8	54%	0.535	47%	0.465	S	S	.	.	H	α-helix	trans	-60.9	-20.2	174.5	-179.6	76.2	0	0	0	113.5	F439 R445	F439-D441 PolarHBondContact O-N 3.5Å; D441-R445 WeakPolarHBondContact O-CD 3.35Å; D441-R445 VanDerWaalsContact O-CG 3.28Å; D441-R445 WeakPolarHBondContact O-CG 3.48Å
442	R	41.3	Very low	44.8	Very low	78 Å²	78	95.7 Å²	95.7	29%	0.294	47%	0.468	S	S	.	.	H	α-helix	trans	-96.2	-39	178.5	-73	-163.9	172.5	101.5	-8.7	113.6	R322 C326 R438 F439 D440 F444 R445 I446	R322-R442 PolarHBondContact O-NH2 3.29Å; C326-R442 VanDerWaalsContact CB-NH2 3.25Å; C326-R442 PolarHBondContact SG-NH1 3.47Å; R438-R442 PolarHBondContact O-NH1 3.46Å; F439-R442 PolarHBondContact O-N 2.92Å; D440-R442 PolarHBondContact O-N 3.46Å; D440-R442 VanDerWaalsContact O-N 3.17Å; R442-F444 PolarHBondContact O-N 3.25Å; R442-R445 PolarHBondContact O-N 3.17Å; R442-I446 WeakPolarHBondContact O-CG1 3.5Å; R442-I446 PolarHBondContact O-N 2.9Å
443	T	41.3	Very low	44.3	Very low	76 Å²	76	91.8 Å²	91.8	47%	0.466	46%	0.461	S	S	.	.	H	α-helix	trans	-54.2	-45.6	175.5	-49.3	0	0	0	0	110.3	F439 D440 R445 I446 E447	F439-T443 PolarHBondContact O-N 3.4Å; F439-T443 VanDerWaalsContact O-N 3.12Å; F439-T443 PolarHBondContact O-OG1 3.08Å; D440-T443 PolarHBondContact O-N 2.77Å; T443-R445 VanDerWaalsContact C-N 3.26Å; T443-R445 PolarHBondContact O-N 2.87Å; T443-I446 PolarHBondContact O-N 2.66Å; T443-I446 VanDerWaalsContact O-N 3.14Å; T443-E447 PolarHBondContact O-N 3.16Å
444	F	40.4	Very low	43.5	Very low	156 Å²	156	93.7 Å²	93.7	68%	0.684	46%	0.464	S	S	*	.	H	α-helix	trans	-63.2	-24.7	179.2	-164.6	-93.8	0	0	0	114.5	D440 R442	D440-F444 PolarHBondContact O-N 2.97Å; R442-F444 PolarHBondContact O-N 3.25Å
445	R	42.6	Very low	43.6	Very low	75 Å²	75	97.5 Å²	97.5	28%	0.283	47%	0.472	S	S	.	.	H	α-helix	trans	-84.4	-22.7	177.6	-63.4	168.4	76.6	90.8	12.9	112.9	E319 D441 R442 T443 V449	E319-R445 VanDerWaalsContact CD-NH2 3.32Å; E319-R445 IonicContact OE1-CZ 3.63Å; E319-R445 IonicContact OE1-NE 2.79Å; E319-R445 IonicContact OE1-NH2 3.89Å; E319-R445 PolarHBondContact OE1-NH2 3.35Å; E319-R445 IonicContact OE2-CZ 2.77Å; E319-R445 IonicContact OE2-NE 3.21Å; E319-R445 PolarHBondContact OE2-NE 3.07Å; E319-R445 IonicContact OE2-NH2 2.68Å; E319-R445 PolarHBondContact OE2-NH2 3.26Å; E319-R445 VanDerWaalsContact OE2-NH2 3.16Å; D441-R445 WeakPolarHBondContact O-CD 3.35Å; D441-R445 VanDerWaalsContact O-CG 3.28Å; D441-R445 WeakPolarHBondContact O-CG 3.48Å; R442-R445 PolarHBondContact O-N 3.17Å; T443-R445 VanDerWaalsContact C-N 3.26Å; T443-R445 PolarHBondContact O-N 2.87Å; R445-V449 WeakPolarHBondContact O-CG2 3.29Å; R445-V449 PolarHBondContact O-N 3.42Å
446	I	44.2	Very low	43.3	Very low	85 Å²	85	96 Å²	96	44%	0.436	47%	0.468	S	S	.	.	H	α-helix	trans	-77.3	-43.3	180	-66.5	166.5	0	0	0	109.3	R442 T443 D448 V449 E450	R442-I446 WeakPolarHBondContact O-CG1 3.5Å; R442-I446 PolarHBondContact O-N 2.9Å; T443-I446 PolarHBondContact O-N 2.66Å; T443-I446 VanDerWaalsContact O-N 3.14Å; I446-D448 VanDerWaalsContact C-N 3.31Å; I446-D448 PolarHBondContact O-N 2.74Å; I446-V449 PolarHBondContact O-N 3.3Å; I446-V449 VanDerWaalsContact O-N 3.17Å; I446-E450 HydrophobicContact CG2-CG 4.43Å; I446-E450 WeakPolarHBondContact O-CG 3.36Å; I446-E450 PolarHBondContact O-N 2.96Å
447	E	37.8	Very low	43.3	Very low	115 Å²	115	99 Å²	99	54%	0.537	48%	0.475	S	S	.	.	H	α-helix	trans	-59.2	-38.1	174.5	-66.4	-178.1	120.4	0	0	112.8	T443 V449 E450 L451	T443-E447 PolarHBondContact O-N 3.16Å; E447-V449 VanDerWaalsContact C-N 3.34Å; E447-V449 PolarHBondContact O-N 2.88Å; E447-E450 PolarHBondContact O-N 3.36Å; E447-L451 PolarHBondContact O-N 2.86Å; E447-L451 VanDerWaalsContact O-N 3.08Å
448	D	42.8	Very low	43.5	Very low	94 Å²	94	95 Å²	95	50%	0.503	46%	0.464	S	S	.	.	H	α-helix	trans	-64.6	-36.9	177.5	-163.2	55.6	0	0	0	112.1	I446 E452	I446-D448 VanDerWaalsContact C-N 3.31Å; I446-D448 PolarHBondContact O-N 2.74Å; D448-E452 PolarHBondContact O-N 3.33Å
449	V	42.4	Very low	43.8	Very low	29 Å²	29	93.5 Å²	93.5	18%	0.176	47%	0.465	C	S	.	.	H	α-helix	trans	-74.9	-39.4	176.2	168.4	0	0	0	0	111.9	L316 R445 I446 E447 L451 E452 V453	L316-V449 HydrophobicContact CD2-CG1 3.45Å; L316-V449 VanDerWaalsContact CD2-CG1 3.45Å; R445-V449 WeakPolarHBondContact O-CG2 3.29Å; R445-V449 PolarHBondContact O-N 3.42Å; I446-V449 PolarHBondContact O-N 3.3Å; I446-V449 VanDerWaalsContact O-N 3.17Å; E447-V449 VanDerWaalsContact C-N 3.34Å; E447-V449 PolarHBondContact O-N 2.88Å; V449-L451 VanDerWaalsContact C-N 3.3Å; V449-L451 PolarHBondContact O-N 3.47Å; V449-E452 PolarHBondContact O-N 2.91Å; V449-V453 WeakPolarHBondContact O-CG2 3.48Å; V449-V453 PolarHBondContact O-N 2.99Å; V449-V453 VanDerWaalsContact O-N 3.17Å
450	E	40.7	Very low	43.8	Very low	119 Å²	119	94.5 Å²	94.5	56%	0.556	47%	0.474	S	S	*	.	H	α-helix	trans	-63.1	-36.9	176.5	-72.5	174.7	169.8	0	0	111.5	I446 E447 V453 E454	I446-E450 HydrophobicContact CG2-CG 4.43Å; I446-E450 WeakPolarHBondContact O-CG 3.36Å; I446-E450 PolarHBondContact O-N 2.96Å; E447-E450 PolarHBondContact O-N 3.36Å; E450-V453 PolarHBondContact O-N 2.83Å; E450-E454 PolarHBondContact O-N 2.96Å
451	L	44.2	Very low	44.2	Very low	108 Å²	108	93.7 Å²	93.7	57%	0.565	47%	0.469	S	S	*	.	H	α-helix	trans	-63.4	-41.1	172.9	-84.5	163.8	0	0	0	113.5	E447 V449 V453 E454 Q455	E447-L451 PolarHBondContact O-N 2.86Å; E447-L451 VanDerWaalsContact O-N 3.08Å; V449-L451 VanDerWaalsContact C-N 3.3Å; V449-L451 PolarHBondContact O-N 3.47Å; L451-V453 VanDerWaalsContact C-N 3.27Å; L451-V453 PolarHBondContact O-N 3.48Å; L451-E454 PolarHBondContact O-N 2.9Å; L451-Q455 WeakPolarHBondContact O-CB 3.29Å; L451-Q455 PolarHBondContact O-N 3.36Å
452	E	44.1	Very low	45	Very low	63 Å²	63	92.7 Å²	92.7	29%	0.294	46%	0.461	S	S	.	.	H	α-helix	trans	-64.5	-33.2	174.7	-71.5	-171	149	0	0	111.7	R315 D448 V449 L456	R315-E452 WeakPolarHBondContact CD-OE2 3.48Å; R315-E452 IonicContact CZ-OE1 2.67Å; R315-E452 IonicContact CZ-OE2 3.55Å; R315-E452 IonicContact NE-OE2 3.57Å; R315-E452 PolarHBondContact NE-OE2 3Å; R315-E452 IonicContact NH1-OE1 2.66Å; R315-E452 PolarHBondContact NH1-OE1 2.8Å; R315-E452 IonicContact NH1-OE2 2.7Å; R315-E452 PolarHBondContact NH1-OE2 3.08Å; R315-E452 IonicContact NH2-OE1 3.26Å; R315-E452 PolarHBondContact NH2-OE1 3.48Å; R315-E452 IonicContact NH2-OE2 3.5Å; R315-E452 PolarHBondContact NH2-OE2 2.98Å; D448-E452 PolarHBondContact O-N 3.33Å; V449-E452 PolarHBondContact O-N 2.91Å; E452-L456 PolarHBondContact O-N 2.84Å
453	V	43.8	Very low	45.4	Very low	74 Å²	74	94.1 Å²	94.1	45%	0.448	47%	0.471	S	S	.	.	H	α-helix	trans	-72	-44.9	176	174.3	0	0	0	0	112.5	V449 E450 L451 Q455 L456 Q457	V449-V453 WeakPolarHBondContact O-CG2 3.48Å; V449-V453 PolarHBondContact O-N 2.99Å; V449-V453 VanDerWaalsContact O-N 3.17Å; E450-V453 PolarHBondContact O-N 2.83Å; L451-V453 VanDerWaalsContact C-N 3.27Å; L451-V453 PolarHBondContact O-N 3.48Å; V453-Q455 VanDerWaalsContact C-N 3.25Å; V453-Q455 PolarHBondContact O-N 3.48Å; V453-L456 WeakPolarHBondContact O-CB 3.48Å; V453-L456 PolarHBondContact O-N 3.48Å; V453-Q457 PolarHBondContact O-N 3.39Å
454	E	40	Very low	45.9	Very low	133 Å²	133	94.7 Å²	94.7	62%	0.621	47%	0.471	S	S	*	.	H	α-helix	trans	-58.4	-40.4	172.9	-76.4	-157.3	146.6	0	0	111.2	E450 L451 Q457 S458	E450-E454 PolarHBondContact O-N 2.96Å; L451-E454 PolarHBondContact O-N 2.9Å; E454-Q457 PolarHBondContact O-N 3.4Å; E454-S458 PolarHBondContact O-N 2.89Å
455	Q	51.8	Low	47.1	Very low	134 Å²	134	95.6 Å²	95.6	63%	0.626	47%	0.47	S	S	*	.	H	α-helix	trans	-66.2	-40.3	178.8	-165	164.3	18.3	0	0	111.5	L451 V453 S458 N459	L451-Q455 WeakPolarHBondContact O-CB 3.29Å; L451-Q455 PolarHBondContact O-N 3.36Å; V453-Q455 VanDerWaalsContact C-N 3.25Å; V453-Q455 PolarHBondContact O-N 3.48Å; Q455-S458 PolarHBondContact O-N 2.85Å; Q455-S458 PolarHBondContact O-OG 3.49Å; Q455-N459 PolarHBondContact O-N 3.37Å; Q455-N459 PolarHBondContact O-ND2 3.26Å
456	L	43.3	Very low	47.9	Very low	51 Å²	51	98.9 Å²	98.9	27%	0.267	48%	0.483	S	S	.	.	H	α-helix	trans	-58	-47.1	170	-97.8	162.9	0	0	0	112.4	E452 V453 S458 N459 L460	E452-L456 PolarHBondContact O-N 2.84Å; V453-L456 WeakPolarHBondContact O-CB 3.48Å; V453-L456 PolarHBondContact O-N 3.48Å; L456-S458 VanDerWaalsContact C-N 3.34Å; L456-S458 PolarHBondContact O-N 3.39Å; L456-N459 PolarHBondContact O-N 3.07Å; L456-L460 PolarHBondContact O-N 2.97Å; L456-L460 VanDerWaalsContact O-N 3.12Å
457	Q	45.6	Very low	48.1	Very low	121 Å²	121	99.9 Å²	99.9	57%	0.565	49%	0.488	S	S	*	.	H	α-helix	trans	-62.7	-39.1	179.9	-167.5	177.6	11.2	0	0	112.1	V453 E454 N459 L460 L461	V453-Q457 PolarHBondContact O-N 3.39Å; E454-Q457 PolarHBondContact O-N 3.4Å; Q457-N459 VanDerWaalsContact C-N 3.34Å; Q457-N459 PolarHBondContact O-N 3.09Å; Q457-L460 PolarHBondContact O-N 2.92Å; Q457-L461 WeakPolarHBondContact O-CG 3.44Å; Q457-L461 PolarHBondContact O-N 3.24Å; Q457-L461 VanDerWaalsContact O-N 3.08Å
458	S	48.3	Very low	49.3	Very low	64 Å²	64	97.1 Å²	97.1	45%	0.448	48%	0.482	S	S	.	.	H	α-helix	trans	-63.9	-37.2	175.8	77.3	0	0	0	0	112.9	E454 Q455 L456 L461 E462	E454-S458 PolarHBondContact O-N 2.89Å; Q455-S458 PolarHBondContact O-N 2.85Å; Q455-S458 PolarHBondContact O-OG 3.49Å; L456-S458 VanDerWaalsContact C-N 3.34Å; L456-S458 PolarHBondContact O-N 3.39Å; S458-L461 PolarHBondContact O-N 3.47Å; S458-E462 PolarHBondContact O-N 3.45Å
459	N	54.4	Low	50.3	Low	98 Å²	98	95.6 Å²	95.6	52%	0.524	48%	0.482	S	S	.	.	H	α-helix	trans	-68.6	-36.8	176.6	-77.6	-69.3	0	0	0	112	Q455 L456 Q457 E462 Q463	Q455-N459 PolarHBondContact O-N 3.37Å; Q455-N459 PolarHBondContact O-ND2 3.26Å; L456-N459 PolarHBondContact O-N 3.07Å; Q457-N459 VanDerWaalsContact C-N 3.34Å; Q457-N459 PolarHBondContact O-N 3.09Å; N459-E462 PolarHBondContact O-N 2.98Å; N459-Q463 WeakPolarHBondContact O-CG 3.4Å; N459-Q463 PolarHBondContact O-N 3.17Å; N459-Q463 VanDerWaalsContact O-N 3.11Å
460	L	44.8	Very low	50.8	Low	102 Å²	102	98.2 Å²	98.2	53%	0.534	50%	0.495	S	S	.	.	H	α-helix	trans	-67.2	-40.4	175.2	-73.2	165.5	0	0	0	112	L456 Q457 E462 Q463 D464	L456-L460 PolarHBondContact O-N 2.97Å; L456-L460 VanDerWaalsContact O-N 3.12Å; Q457-L460 PolarHBondContact O-N 2.92Å; L460-E462 VanDerWaalsContact C-N 3.3Å; L460-E462 PolarHBondContact O-N 3.43Å; L460-Q463 WeakPolarHBondContact O-CB 3.37Å; L460-Q463 PolarHBondContact O-N 2.7Å; L460-D464 PolarHBondContact O-N 3.32Å
461	L	50.9	Low	51.6	Low	93 Å²	93	98.2 Å²	98.2	49%	0.487	50%	0.495	S	S	.	.	H	α-helix	trans	-65.8	-28.9	175.4	-73	166.5	0	0	0	113.4	Q457 S458 R465	Q457-L461 WeakPolarHBondContact O-CG 3.44Å; Q457-L461 PolarHBondContact O-N 3.24Å; Q457-L461 VanDerWaalsContact O-N 3.08Å; S458-L461 PolarHBondContact O-N 3.47Å; L461-R465 WeakPolarHBondContact O-CG 3.47Å; L461-R465 PolarHBondContact O-N 3.38Å; L461-R465 VanDerWaalsContact O-N 3.17Å
462	E	59.9	Low	52.4	Low	79 Å²	79	98.8 Å²	98.8	37%	0.369	50%	0.498	S	S	.	.	H	α-helix	trans	-76.4	-32.6	172.6	175.3	61.4	-168.1	0	0	112.3	S458 N459 L460 R466	S458-E462 PolarHBondContact O-N 3.45Å; N459-E462 PolarHBondContact O-N 2.98Å; L460-E462 VanDerWaalsContact C-N 3.3Å; L460-E462 PolarHBondContact O-N 3.43Å; E462-R466 WeakPolarHBondContact O-CD 3.36Å; E462-R466 VanDerWaalsContact O-CG 3.24Å; E462-R466 WeakPolarHBondContact O-CG 3.46Å; E462-R466 PolarHBondContact O-N 3.16Å; E462-R466 IonicContact OE1-CZ 2.74Å; E462-R466 IonicContact OE1-NE 3.75Å; E462-R466 PolarHBondContact OE1-NE 3.03Å; E462-R466 IonicContact OE1-NH2 3.81Å; E462-R466 PolarHBondContact OE1-NH2 3.46Å
463	Q	49.2	Very low	53.5	Low	108 Å²	108	102.1 Å²	102.1	51%	0.505	51%	0.514	S	S	.	.	H	α-helix	trans	-65.3	-46.8	170.5	-69.2	-79.8	-18.3	0	0	111.2	N459 L460 R465 R466 L467	N459-Q463 WeakPolarHBondContact O-CG 3.4Å; N459-Q463 PolarHBondContact O-N 3.17Å; N459-Q463 VanDerWaalsContact O-N 3.11Å; L460-Q463 WeakPolarHBondContact O-CB 3.37Å; L460-Q463 PolarHBondContact O-N 2.7Å; Q463-R465 PolarHBondContact O-N 3.13Å; Q463-R466 WeakPolarHBondContact O-CB 3.27Å; Q463-R466 PolarHBondContact O-N 3.41Å; Q463-R466 VanDerWaalsContact O-N 3.1Å; Q463-L467 PolarHBondContact O-N 3.4Å
464	D	53.8	Low	54	Low	88 Å²	88	99.1 Å²	99.1	47%	0.471	50%	0.496	S	S	.	.	H	α-helix	trans	-59.2	-44.7	177.7	177.3	68.8	0	0	0	112.7	L460 R466 L467 S468	L460-D464 PolarHBondContact O-N 3.32Å; D464-R466 VanDerWaalsContact C-N 3.28Å; D464-R466 PolarHBondContact O-N 2.73Å; D464-L467 PolarHBondContact O-N 3.24Å; D464-S468 WeakPolarHBondContact O-CB 3.41Å; D464-S468 PolarHBondContact O-N 3.12Å; D464-S468 PolarHBondContact O-OG 3.38Å
465	R	63.7	Low	55	Low	174 Å²	174	94.8 Å²	94.8	66%	0.657	48%	0.482	S	S	*	.	H	α-helix	trans	-60.7	-35.1	173.6	-79.9	-179.5	177.1	146.6	4.2	113.4	L461 Q463 A469	L461-R465 WeakPolarHBondContact O-CG 3.47Å; L461-R465 PolarHBondContact O-N 3.38Å; L461-R465 VanDerWaalsContact O-N 3.17Å; Q463-R465 PolarHBondContact O-N 3.13Å; R465-A469 VanDerWaalsContact O-CB 3.27Å; R465-A469 WeakPolarHBondContact O-CB 3.42Å; R465-A469 PolarHBondContact O-N 3.02Å
466	R	60.6	Low	55.4	Low	145 Å²	145	93 Å²	93	55%	0.547	47%	0.474	S	S	.	.	H	α-helix	trans	-71.6	-39.1	177.4	-72.5	167.9	-177.2	-145.8	-0	112	E462 Q463 D464 A469 L470	E462-R466 WeakPolarHBondContact O-CD 3.36Å; E462-R466 VanDerWaalsContact O-CG 3.24Å; E462-R466 WeakPolarHBondContact O-CG 3.46Å; E462-R466 PolarHBondContact O-N 3.16Å; E462-R466 IonicContact OE1-CZ 2.74Å; E462-R466 IonicContact OE1-NE 3.75Å; E462-R466 PolarHBondContact OE1-NE 3.03Å; E462-R466 IonicContact OE1-NH2 3.81Å; E462-R466 PolarHBondContact OE1-NH2 3.46Å; Q463-R466 WeakPolarHBondContact O-CB 3.27Å; Q463-R466 PolarHBondContact O-N 3.41Å; Q463-R466 VanDerWaalsContact O-N 3.1Å; D464-R466 VanDerWaalsContact C-N 3.28Å; D464-R466 PolarHBondContact O-N 2.73Å; R466-A469 PolarHBondContact O-N 3.3Å; R466-L470 WeakPolarHBondContact O-CG 3.25Å; R466-L470 PolarHBondContact O-N 3.35Å
467	L	49.1	Very low	55.9	Low	105 Å²	105	93.8 Å²	93.8	55%	0.55	48%	0.481	S	S	.	.	H	α-helix	trans	-62.1	-51.6	172	-72.9	163.6	0	0	0	110.7	Q463 D464 A469 L470 E471	Q463-L467 PolarHBondContact O-N 3.4Å; D464-L467 PolarHBondContact O-N 3.24Å; L467-A469 VanDerWaalsContact C-N 3.27Å; L467-A469 PolarHBondContact O-N 3.2Å; L467-L470 WeakPolarHBondContact O-CB 3.45Å; L467-L470 PolarHBondContact O-N 2.98Å; L467-L470 VanDerWaalsContact O-N 3.09Å; L467-E471 PolarHBondContact O-N 3.06Å
468	S	62.2	Low	55.8	Low	58 Å²	58	92.5 Å²	92.5	41%	0.406	47%	0.471	S	S	.	.	H	α-helix	trans	-57.3	-37.1	175.9	-70.6	0	0	0	0	113.2	D464 N472	D464-S468 WeakPolarHBondContact O-CB 3.41Å; D464-S468 PolarHBondContact O-N 3.12Å; D464-S468 PolarHBondContact O-OG 3.38Å; S468-N472 WeakPolarHBondContact O-CB 3.37Å; S468-N472 PolarHBondContact O-N 3.11Å
469	A	63.8	Low	56.2	Low	61 Å²	61	96.6 Å²	96.6	50%	0.504	48%	0.477	S	S	.	.	H	α-helix	trans	-68.6	-41	175.7	0	0	0	0	0	112.5	R465 R466 L467 Q473	R465-A469 VanDerWaalsContact O-CB 3.27Å; R465-A469 WeakPolarHBondContact O-CB 3.42Å; R465-A469 PolarHBondContact O-N 3.02Å; R466-A469 PolarHBondContact O-N 3.3Å; L467-A469 VanDerWaalsContact C-N 3.27Å; L467-A469 PolarHBondContact O-N 3.2Å; A469-Q473 WeakPolarHBondContact O-CB 3.32Å; A469-Q473 PolarHBondContact O-N 3.46Å; A469-Q473 VanDerWaalsContact O-N 3.13Å
470	L	53.3	Low	56.1	Low	85 Å²	85	99.7 Å²	99.7	45%	0.445	48%	0.481	S	S	.	.	H	α-helix	trans	-63.8	-49.6	174.4	-78.1	165	0	0	0	111.3	R466 L467 N472 Q473 T474	R466-L470 WeakPolarHBondContact O-CG 3.25Å; R466-L470 PolarHBondContact O-N 3.35Å; L467-L470 WeakPolarHBondContact O-CB 3.45Å; L467-L470 PolarHBondContact O-N 2.98Å; L467-L470 VanDerWaalsContact O-N 3.09Å; L470-N472 VanDerWaalsContact C-N 3.3Å; L470-N472 PolarHBondContact O-N 2.97Å; L470-Q473 CarbonylContact O-C 3.57Å; L470-Q473 WeakPolarHBondContact O-CA 3.49Å; L470-Q473 VanDerWaalsContact O-CB 3.28Å; L470-Q473 WeakPolarHBondContact O-CB 3.29Å; L470-Q473 PolarHBondContact O-N 3.4Å; L470-T474 PolarHBondContact O-N 2.85Å; L470-T474 PolarHBondContact O-OG1 3.36Å
471	E	57.4	Low	56.1	Low	119 Å²	119	99.7 Å²	99.7	56%	0.556	49%	0.485	S	S	*	.	H	α-helix	trans	-57.3	-41.8	179.4	-72.3	-167.2	145.4	0	0	112.8	L467 Q473 T474 A475	L467-E471 PolarHBondContact O-N 3.06Å; E471-Q473 VanDerWaalsContact C-N 3.29Å; E471-Q473 PolarHBondContact O-N 3.34Å; E471-T474 PolarHBondContact O-N 3.33Å; E471-A475 WeakPolarHBondContact O-CB 3.26Å; E471-A475 PolarHBondContact O-N 3.33Å
472	N	59.8	Low	55.6	Low	120 Å²	120	101.7 Å²	101.7	64%	0.642	49%	0.492	S	S	*	.	H	α-helix	trans	-66.5	-34.1	176.2	-162.1	8.3	0	0	0	111.3	S468 L470 A475 E476	S468-N472 WeakPolarHBondContact O-CB 3.37Å; S468-N472 PolarHBondContact O-N 3.11Å; L470-N472 VanDerWaalsContact C-N 3.3Å; L470-N472 PolarHBondContact O-N 2.97Å; N472-A475 PolarHBondContact O-N 3.47Å; N472-E476 PolarHBondContact O-N 3Å; N472-E476 VanDerWaalsContact O-N 3.1Å
473	Q	67.9	Low	54.6	Low	133 Å²	133	105 Å²	105	62%	0.621	51%	0.508	S	S	*	.	H	α-helix	trans	-68.7	-38.8	172.6	-153.1	170.3	23.7	0	0	111.8	A469 L470 E471 E476 T477	A469-Q473 WeakPolarHBondContact O-CB 3.32Å; A469-Q473 PolarHBondContact O-N 3.46Å; A469-Q473 VanDerWaalsContact O-N 3.13Å; L470-Q473 CarbonylContact O-C 3.57Å; L470-Q473 WeakPolarHBondContact O-CA 3.49Å; L470-Q473 VanDerWaalsContact O-CB 3.28Å; L470-Q473 WeakPolarHBondContact O-CB 3.29Å; L470-Q473 PolarHBondContact O-N 3.4Å; E471-Q473 VanDerWaalsContact C-N 3.29Å; E471-Q473 PolarHBondContact O-N 3.34Å; Q473-E476 PolarHBondContact O-N 2.95Å; Q473-T477 PolarHBondContact O-N 2.79Å; Q473-T477 PolarHBondContact O-OG1 3.11Å
474	T	54.4	Low	53.9	Low	10 Å²	10	104.7 Å²	104.7	6%	0.061	52%	0.516	C	S	.	.	H	α-helix	trans	-68.5	-34	173.8	-25.5	0	0	0	0	112.3	P199 E200 L470 E471 T477 R478	P199-T474 HydrophobicContact CB-CG2 4Å; P199-T474 HydrophobicContact CG-CG2 4.2Å; E200-T474 HydrophobicContact CG-CG2 4.22Å; L470-T474 PolarHBondContact O-N 2.85Å; L470-T474 PolarHBondContact O-OG1 3.36Å; E471-T474 PolarHBondContact O-N 3.33Å; T474-T477 WeakPolarHBondContact CA-OG1 3.32Å; T474-T477 PolarHBondContact O-OG1 3.36Å; T474-R478 WeakPolarHBondContact O-CB 3.47Å; T474-R478 PolarHBondContact O-N 2.91Å
475	A	61.5	Low	52.8	Low	42 Å²	42	108.7 Å²	108.7	35%	0.347	53%	0.532	S	S	.	.	H	α-helix	trans	-65.8	-40.6	174.4	0	0	0	0	0	111.8	E471 N472 R479	E471-A475 WeakPolarHBondContact O-CB 3.26Å; E471-A475 PolarHBondContact O-N 3.33Å; N472-A475 PolarHBondContact O-N 3.47Å; A475-R479 WeakPolarHBondContact O-CB 3.48Å; A475-R479 PolarHBondContact O-N 2.84Å
476	E	59.7	Low	51.2	Low	97 Å²	97	106.4 Å²	106.4	45%	0.453	54%	0.541	S	S	.	.	H	α-helix	trans	-70.3	-38	175.7	-178.3	59.8	-164.7	0	0	112.3	N472 Q473 R479 R480	N472-E476 PolarHBondContact O-N 3Å; N472-E476 VanDerWaalsContact O-N 3.1Å; Q473-E476 PolarHBondContact O-N 2.95Å; E476-R479 PolarHBondContact O-N 2.89Å; E476-R480 VanDerWaalsContact O-CG 3.28Å; E476-R480 WeakPolarHBondContact O-CG 3.12Å; E476-R480 PolarHBondContact O-N 3.33Å; E476-R480 VanDerWaalsContact O-N 3.12Å; E476-R480 WeakPolarHBondContact OE1-CD 3.26Å
477	T	53.1	Low	50	Low	68 Å²	68	106.4 Å²	106.4	42%	0.417	56%	0.557	S	S	.	*	H	α-helix	trans	-63.8	-44.2	172.8	49.9	0	0	0	0	111.7	Q473 T474 R479 R480 V481	Q473-T477 PolarHBondContact O-N 2.79Å; Q473-T477 PolarHBondContact O-OG1 3.11Å; T474-T477 WeakPolarHBondContact CA-OG1 3.32Å; T474-T477 PolarHBondContact O-OG1 3.36Å; T477-R479 PolarHBondContact O-N 3.26Å; T477-R480 PolarHBondContact O-N 3.36Å; T477-V481 WeakPolarHBondContact O-CG2 3.39Å; T477-V481 PolarHBondContact O-N 3.44Å
478	R	43.8	Very low	49.1	Very low	94 Å²	94	105.2 Å²	105.2	36%	0.355	57%	0.571	S	S	.	*	H	α-helix	trans	-56.4	-50	175.7	-172.9	177.3	-52.2	121.3	25.2	112.2	E203 T474 R480 V481 E482	E203-R478 IonicContact OE1-CZ 3.54Å; E203-R478 IonicContact OE1-NE 3.78Å; E203-R478 PolarHBondContact OE1-NE 2.89Å; E203-R478 IonicContact OE1-NH2 2.71Å; E203-R478 PolarHBondContact OE1-NH2 3.43Å; T474-R478 WeakPolarHBondContact O-CB 3.47Å; T474-R478 PolarHBondContact O-N 2.91Å; R478-R480 VanDerWaalsContact C-N 3.26Å; R478-R480 PolarHBondContact O-N 3.46Å; R478-V481 PolarHBondContact O-N 3.36Å; R478-V481 VanDerWaalsContact O-N 3.07Å; R478-E482 WeakPolarHBondContact O-CG 3.37Å; R478-E482 PolarHBondContact O-N 2.83Å
479	R	57.5	Low	47.7	Very low	149 Å²	149	106.6 Å²	106.6	56%	0.562	59%	0.593	S	S	*	*	H	α-helix	trans	-55.5	-41.5	176.8	-175	-175.9	-177.5	117.2	10.8	112.3	A475 E476 T477 E482 E483	A475-R479 WeakPolarHBondContact O-CB 3.48Å; A475-R479 PolarHBondContact O-N 2.84Å; E476-R479 PolarHBondContact O-N 2.89Å; T477-R479 PolarHBondContact O-N 3.26Å; R479-E482 PolarHBondContact O-N 2.97Å; R479-E483 PolarHBondContact O-N 3.21Å; R479-E483 VanDerWaalsContact O-N 3.17Å
480	R	51.9	Low	46.1	Very low	164 Å²	164	107.4 Å²	107.4	62%	0.619	61%	0.608	S	S	*	*	H	α-helix	trans	-75.9	-22.2	179.8	-66.1	178.7	74.7	-171.2	4.9	113.5	E476 T477 R478 C484	E476-R480 VanDerWaalsContact O-CG 3.28Å; E476-R480 WeakPolarHBondContact O-CG 3.12Å; E476-R480 PolarHBondContact O-N 3.33Å; E476-R480 VanDerWaalsContact O-N 3.12Å; E476-R480 WeakPolarHBondContact OE1-CD 3.26Å; T477-R480 PolarHBondContact O-N 3.36Å; R478-R480 VanDerWaalsContact C-N 3.26Å; R478-R480 PolarHBondContact O-N 3.46Å; R480-C484 PolarHBondContact O-SG 2.98Å
481	V	44	Very low	45.1	Very low	101 Å²	101	113.8 Å²	113.8	61%	0.612	63%	0.632	S	S	*	*	H	α-helix	trans	-75	-38.9	168.7	171.5	0	0	0	0	110.9	T477 R478 C484	T477-V481 WeakPolarHBondContact O-CG2 3.39Å; T477-V481 PolarHBondContact O-N 3.44Å; R478-V481 PolarHBondContact O-N 3.36Å; R478-V481 VanDerWaalsContact O-N 3.07Å; V481-C484 PolarHBondContact O-N 3.45Å
482	E	41.8	Very low	43.8	Very low	136 Å²	136	111.5 Å²	111.5	64%	0.636	64%	0.641	S	S	*	*	H	α-helix	trans	-63.6	-38.9	176.7	-71.4	172	178.5	0	0	112.5	R478 R479 C484	R478-E482 WeakPolarHBondContact O-CG 3.37Å; R478-E482 PolarHBondContact O-N 2.83Å; R479-E482 PolarHBondContact O-N 2.97Å; E482-C484 PolarHBondContact O-N 3.42Å
483	E	38.8	Very low	42.3	Very low	149 Å²	149	115 Å²	115	70%	0.696	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-11.2	175.6	-78.4	-174.7	166.8	0	0	114.5	R479	R479-E483 PolarHBondContact O-N 3.21Å; R479-E483 VanDerWaalsContact O-N 3.17Å
484	C	33.5	Very low	40.5	Very low	101 Å²	101	116.4 Å²	116.4	68%	0.682	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	7.3	-176.5	-78.5	0	0	0	0	115.7	R480 V481 E482 C486	R480-C484 PolarHBondContact O-SG 2.98Å; V481-C484 PolarHBondContact O-N 3.45Å; E482-C484 PolarHBondContact O-N 3.42Å; C484-C486 PolarHBondContact O-N 2.85Å
485	H	31.2	Very low	39.3	Very low	172 Å²	172	126.8 Å²	126.8	80%	0.796	70%	0.698	S	S	*	*			trans	-87.8	108.8	-177.4	-119.7	91.7	0	0	0	114
486	C	30.9	Very low	37.8	Very low	125 Å²	125	128.8 Å²	128.8	85%	0.845	72%	0.723	S	S	*	*			trans	-83.5	123.3	179.7	-63.3	0	0	0	0	113	C484	C484-C486 PolarHBondContact O-N 2.85Å
487	T	34	Very low	36.5	Very low	145 Å²	145	127.5 Å²	127.5	89%	0.89	74%	0.735	S	S	*	*			trans	-100.3	136.7	172.1	54.4	0	0	0	0	112
488	G	31.3	Very low	35.5	Very low	81 Å²	81	131.5 Å²	131.5	84%	0.835	75%	0.754	S	S	*	*			trans	-136.1	83.1	-170	0	0	0	0	0	116.6
489	G	31.7	Very low	35	Very low	86 Å²	86	133.3 Å²	133.3	89%	0.887	78%	0.776	S	S	*	*			trans	58.4	131	146.1	0	0	0	0	0	122.2
490	G	30.2	Very low	33.9	Very low	78 Å²	78	131.7 Å²	131.7	80%	0.804	78%	0.782	S	S	*	*			trans	-178.4	43.9	174.6	0	0	0	0	0	122
491	K	33.4	Very low	32.8	Very low	219 Å²	219	132.6 Å²	132.6	95%	0.952	79%	0.793	S	S	*	*			trans	34.3	136	157.9	-62.4	-178	176.1	-177.3	0	122.3
492	G	28.7	Very low	32.2	Very low	72 Å²	72	130.7 Å²	130.7	74%	0.742	79%	0.794	S	S	*	*			trans	162.3	101.2	150.4	0	0	0	0	0	119.3
493	E	29	Very low	31.6	Very low	194 Å²	194	133.9 Å²	133.9	91%	0.907	81%	0.806	S	S	*	*			trans	38.7	143.2	150.6	-73.6	159.1	108.4	0	0	127
494	E	29.6	Very low	31.3	Very low	162 Å²	162	133.1 Å²	133.1	76%	0.757	81%	0.812	S	S	*	*			trans	-12.3	165.4	164.7	-37.2	-166.6	149.5	0	0	122.5
495	R	30.9	Very low	31.3	Very low	228 Å²	228	132 Å²	132	86%	0.86	82%	0.817	S	S	*	*			cis	-171.9	141.9	27	-155.7	170.6	178.6	-171.5	0.6	114.9
496	G	29.3	Very low	31.5	Very low	84 Å²	84	130 Å²	130	87%	0.866	82%	0.823	S	S	*	*			trans	73.8	154.7	157.9	0	0	0	0	0	119.4
497	G	32.4	Very low	31.6	Very low	70 Å²	70	128 Å²	128	72%	0.722	82%	0.823	S	S	*	*			cis	-179.3	163.1	-7	0	0	0	0	0	115.3
498	D	32.5	Very low	31.8	Very low	152 Å²	152	125.1 Å²	125.1	81%	0.813	82%	0.822	S	S	*	*			trans	78.2	114.2	154.4	-60.6	-10.7	0	0	0	126.4
499	T	31.9	Very low	31.9	Very low	131 Å²	131	125.6 Å²	125.6	80%	0.804	83%	0.827	S	S	*	*			trans	72.9	151.8	133.9	58.7	0	0	0	0	123.8
500	V	34.6	Very low	32.1	Very low	115 Å²	115	125.5 Å²	125.5	70%	0.697	83%	0.826	S	S	*	*			cis	-170.1	153.6	-35.5	109.4	0	0	0	0	112.1
501	E	29.7	Very low	32.4	Very low	184 Å²	184	127.2 Å²	127.2	86%	0.86	83%	0.833	S	S	*	*			trans	58.6	157	164.8	-74.7	161.6	-149.6	0	0	121.9
502	G	31.7	Very low	32.5	Very low	60 Å²	60	120.1 Å²	120.1	62%	0.619	82%	0.822	S	S	*	*			cis	170.1	131.8	-13.3	0	0	0	0	0	117.3
503	F	28.9	Very low	32.9	Very low	203 Å²	203	123 Å²	123	89%	0.89	83%	0.831	S	S	*	*			trans	62.3	172.8	160.6	-53	-79.6	0	0	0	120.2
504	T	32.4	Very low	33.2	Very low	134 Å²	134	118.6 Å²	118.6	82%	0.822	83%	0.827	S	S	*	*			cis	-158.6	142.1	-1	-15.1	0	0	0	0	114.8
505	G	32.4	Very low	33.2	Very low	77 Å²	77	113.9 Å²	113.9	79%	0.794	82%	0.822	S	S	*	*			trans	63.4	169	147.9	0	0	0	0	0	123.1
506	S	36.6	Very low	33.3	Very low	130 Å²	130	110.2 Å²	110.2	91%	0.909	83%	0.825	S	S	*	*			cis	-173.2	141.8	-26	-164.1	0	0	0	0	114.8
507	G	33.3	Very low	33.4	Very low	82 Å²	82	110.2 Å²	110.2	85%	0.845	83%	0.826	S	S	*	*			trans	81.1	154.1	156.9	0	0	0	0	0	120.9
508	G	36.5	Very low	33.3	Very low	85 Å²	85	110.5 Å²	110.5	88%	0.876	83%	0.828	S	S	*	*			cis	167.1	143.8	-14.3	0	0	0	0	0	117.3
509	G	34.9	Very low	33.2	Very low	91 Å²	91	110.5 Å²	110.5	94%	0.938	83%	0.834	S	S	*	*			trans	90.4	145.9	167.3	0	0	0	0	0	117.5
510	G	35.2	Very low	33	Very low	85 Å²	85	108.1 Å²	108.1	88%	0.876	84%	0.836	S	S	*	*			cis	138.3	148.7	1.2	0	0	0	0	0	110.6
511	A	37	Very low	32.8	Very low	114 Å²	114	106.8 Å²	106.8	94%	0.942	85%	0.845	S	S	*	*			cis	-162.1	-173.4	-4.6	0	0	0	0	0	107.5
512	G	34.5	Very low	32.7	Very low	70 Å²	70	101.8 Å²	101.8	72%	0.722	84%	0.843	S	S	*	*			cis	160.8	162.7	-2.2	0	0	0	0	0	112.7
513	S	37.3	Very low	32.6	Very low	133 Å²	133	107.5 Å²	107.5	93%	0.93	86%	0.858	S	S	*	*			trans	73.6	153.1	166.6	-80.8	0	0	0	0	121.4
514	A	36.2	Very low	32.6	Very low	100 Å²	100	104 Å²	104	83%	0.826	86%	0.859	S	S	*	*			cis	-166.4	167.9	-8	0	0	0	0	0	114.1
515	G	29.6	Very low	32.4	Very low	63 Å²	63	101.4 Å²	101.4	65%	0.649	86%	0.859	S	S	*	*			trans	121.3	99.7	160.5	0	0	0	0	0	116.1
516	T	33.4	Very low	32.4	Very low	151 Å²	151	101.4 Å²	101.4	93%	0.926	86%	0.859	S	S	*	*				74.1	125.3	70.1	62.4	0	0	0	0	116.5
517	G	30.2	Very low	32.2	Very low	85 Å²	85	106 Å²	106	88%	0.876	86%	0.857	S	S	*	*			cis	165	168.8	-8.8	0	0	0	0	0	115.6
518	G	30.3	Very low	32.5	Very low	75 Å²	75	110.5 Å²	110.5	77%	0.773	86%	0.855	S	S	*	*			trans	98.5	147.9	168.1	0	0	0	0	0	117
519	T	30.3	Very low	32.8	Very low	152 Å²	152	112.1 Å²	112.1	93%	0.933	84%	0.844	S	S	*	*			cis	-162	142.8	-11.1	42.4	0	0	0	0	111.4
520	G	28.6	Very low	33	Very low	82 Å²	82	113.6 Å²	113.6	85%	0.845	84%	0.835	S	S	*	*			trans	128.7	118.7	145.7	0	0	0	0	0	120.1
521	G	29.8	Very low	33.6	Very low	86 Å²	86	114 Å²	114	89%	0.887	82%	0.82	S	S	*	*			trans	102.8	132.4	148.1	0	0	0	0	0	119.2
522	G	28	Very low	33.6	Very low	79 Å²	79	115.6 Å²	115.6	81%	0.814	81%	0.806	S	S	*	*			trans	99.6	144.5	166.6	0	0	0	0	0	115.8
523	L	29.6	Very low	34.1	Very low	180 Å²	180	118.9 Å²	118.9	94%	0.942	80%	0.801	S	S	*	*			trans	-137	151.6	-173.9	-85.3	172.7	0	0	0	114.1
524	S	27.7	Very low	34.3	Very low	129 Å²	129	115.7 Å²	115.7	90%	0.902	78%	0.779	S	S	*	*			trans	74.4	118.9	163.2	-155.6	0	0	0	0	117.9
525	G	29.2	Very low	34.4	Very low	80 Å²	80	115.9 Å²	115.9	83%	0.825	77%	0.765	S	S	*	*			trans	176.2	36.3	178.8	0	0	0	0	0	114.4
526	G	32.6	Very low	34.9	Very low	78 Å²	78	118 Å²	118	80%	0.804	76%	0.758	S	S	*	*			trans	-87.1	146.1	-174.7	0	0	0	0	0	114.4
527	R	33	Very low	35.2	Very low	227 Å²	227	120.5 Å²	120.5	86%	0.857	75%	0.75	S	S	*	*			trans	120.8	61.2	155.3	-157.1	171.8	-168.3	154.9	1.2	116.2	N529	R527-N529 PolarHBondContact O-N 2.9Å
528	E	39.4	Very low	35.7	Very low	175 Å²	175	123.8 Å²	123.8	82%	0.818	74%	0.736	S	S	*	*			trans	-55.2	123	155.2	-59.1	176.1	109.1	0	0	110.1
529	N	42.3	Very low	36.5	Very low	120 Å²	120	124.8 Å²	124.8	64%	0.642	73%	0.728	S	S	*	*			trans	-167.2	-2.1	165.4	-113.2	-66	0	0	0	115.3	R527	R527-N529 PolarHBondContact O-N 2.9Å
530	T	39.5	Very low	37.3	Very low	121 Å²	121	122 Å²	122	74%	0.742	71%	0.71	S	S	*	*	S	Bend	trans	-98.3	-36.6	-178.3	46.9	0	0	0	0	113.3
531	T	46.9	Very low	38.1	Very low	93 Å²	93	122 Å²	122	57%	0.571	70%	0.702	S	S	*	*	H	α-helix	trans	-68.9	-42	-175.4	46.9	0	0	0	0	113.5	K533 S534	T531-K533 PolarHBondContact O-N 3.34Å; T531-S534 WeakPolarHBondContact O-CB 3.38Å; T531-S534 PolarHBondContact O-N 3.04Å; T531-S534 VanDerWaalsContact O-N 3.13Å
532	K	37.5	Very low	39	Very low	148 Å²	148	121.8 Å²	121.8	64%	0.643	68%	0.681	S	S	*	*	H	α-helix	trans	-61	-42	-173.9	-165.9	171.7	-178.2	177.2	0	113.3	S534 L535 E536	K532-S534 VanDerWaalsContact C-N 3.27Å; K532-S534 PolarHBondContact O-N 2.77Å; K532-L535 PolarHBondContact O-N 3.25Å; K532-L535 VanDerWaalsContact O-N 3.14Å; K532-E536 PolarHBondContact O-N 3.48Å
533	K	45	Very low	39.8	Very low	139 Å²	139	122.2 Å²	122.2	60%	0.604	66%	0.662	S	S	*	*	H	α-helix	trans	-64.9	-27.3	177.8	-73	-174.3	170.8	-174.7	0	113.6	T531 L535 W537	T531-K533 PolarHBondContact O-N 3.34Å; K533-L535 VanDerWaalsContact C-N 3.26Å; K533-L535 PolarHBondContact O-N 3.26Å; K533-W537 PolarHBondContact O-N 3.07Å
534	S	40.7	Very low	40.8	Very low	67 Å²	67	116.4 Å²	116.4	47%	0.469	65%	0.645	S	S	.	*	H	α-helix	trans	-74.7	-14.4	177	-178.2	0	0	0	0	113.4	T531 K532 R538	T531-S534 WeakPolarHBondContact O-CB 3.38Å; T531-S534 PolarHBondContact O-N 3.04Å; T531-S534 VanDerWaalsContact O-N 3.13Å; K532-S534 VanDerWaalsContact C-N 3.27Å; K532-S534 PolarHBondContact O-N 2.77Å; S534-R538 PolarHBondContact O-NE 3.03Å; S534-R538 PolarHBondContact O-NH2 2.98Å
535	L	38.7	Very low	41.7	Very low	103 Å²	103	117.2 Å²	117.2	54%	0.539	63%	0.634	S	S	.	*	H	α-helix	trans	-90	-41.7	173.4	-71.6	163.6	0	0	0	111.4	K532 K533 W537 R538 V539	K532-L535 PolarHBondContact O-N 3.25Å; K532-L535 VanDerWaalsContact O-N 3.14Å; K533-L535 VanDerWaalsContact C-N 3.26Å; K533-L535 PolarHBondContact O-N 3.26Å; L535-W537 PolarHBondContact O-N 3.04Å; L535-R538 PolarHBondContact O-N 3.25Å; L535-R538 VanDerWaalsContact O-N 3.13Å; L535-V539 PolarHBondContact O-N 3.34Å
536	E	39.4	Very low	42.7	Very low	108 Å²	108	118.2 Å²	118.2	51%	0.505	62%	0.62	S	S	.	*	H	α-helix	trans	-57.4	-46.5	178.9	-69.8	168.5	154.1	0	0	112.3	K532 R538 V539 V540	K532-E536 PolarHBondContact O-N 3.48Å; E536-R538 VanDerWaalsContact C-N 3.28Å; E536-R538 PolarHBondContact O-N 3Å; E536-V539 PolarHBondContact O-N 2.88Å; E536-V539 VanDerWaalsContact O-N 3.14Å; E536-V540 PolarHBondContact O-N 3.06Å; E536-V540 VanDerWaalsContact O-N 3.15Å
537	W	41	Very low	43.2	Very low	203 Å²	203	122.7 Å²	122.7	77%	0.769	61%	0.612	S	S	*	*	H	α-helix	trans	-61.9	-29.7	177.5	-80.2	108	0	0	0	114.4	K533 L535 A541	K533-W537 PolarHBondContact O-N 3.07Å; L535-W537 PolarHBondContact O-N 3.04Å; W537-A541 PolarHBondContact O-N 3.05Å
538	R	39.9	Very low	43.6	Very low	154 Å²	154	118.5 Å²	118.5	58%	0.581	60%	0.602	S	S	*	*	H	α-helix	trans	-79	-24.4	176.5	-80.5	-176	-75	169.5	-5.7	113.4	S534 L535 E536	S534-R538 PolarHBondContact O-NE 3.03Å; S534-R538 PolarHBondContact O-NH2 2.98Å; L535-R538 PolarHBondContact O-N 3.25Å; L535-R538 VanDerWaalsContact O-N 3.13Å; E536-R538 VanDerWaalsContact C-N 3.28Å; E536-R538 PolarHBondContact O-N 3Å
539	V	47.7	Very low	43.9	Very low	97 Å²	97	117 Å²	117	59%	0.588	59%	0.593	S	S	*	*	H	α-helix	trans	-75.8	-44.4	173.9	176.6	0	0	0	0	110.6	L535 E536 A541 N542 E543	L535-V539 PolarHBondContact O-N 3.34Å; E536-V539 PolarHBondContact O-N 2.88Å; E536-V539 VanDerWaalsContact O-N 3.14Å; V539-A541 VanDerWaalsContact C-N 3.32Å; V539-A541 PolarHBondContact O-N 3.33Å; V539-N542 PolarHBondContact O-N 2.9Å; V539-N542 VanDerWaalsContact O-N 3.11Å; V539-E543 PolarHBondContact O-N 3.28Å
540	V	47.1	Very low	43.7	Very low	93 Å²	93	116 Å²	116	56%	0.564	59%	0.588	S	S	*	*	H	α-helix	trans	-60.9	-39.9	178.8	175.9	0	0	0	0	111.8	E536 N542 E543	E536-V540 PolarHBondContact O-N 3.06Å; E536-V540 VanDerWaalsContact O-N 3.15Å; V540-N542 PolarHBondContact O-N 2.98Å; V540-E543 PolarHBondContact O-N 3.07Å
541	A	45.3	Very low	44	Very low	82 Å²	82	114 Å²	114	68%	0.678	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	-25.9	176.9	0	0	0	0	0	114.2	W537 V539	W537-A541 PolarHBondContact O-N 3.05Å; V539-A541 VanDerWaalsContact C-N 3.32Å; V539-A541 PolarHBondContact O-N 3.33Å
542	N	47.5	Very low	43.9	Very low	82 Å²	82	116.5 Å²	116.5	44%	0.439	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.7	-2.9	-176.4	-77.1	-8.7	0	0	0	114.2	V539 V540 G544 Q545 I546	V539-N542 PolarHBondContact O-N 2.9Å; V539-N542 VanDerWaalsContact O-N 3.11Å; V540-N542 PolarHBondContact O-N 2.98Å; N542-G544 VanDerWaalsContact C-N 3.25Å; N542-G544 PolarHBondContact O-N 3.18Å; N542-Q545 PolarHBondContact O-N 3.29Å; N542-I546 PolarHBondContact O-N 3.33Å
543	E	45.5	Very low	44.1	Very low	88 Å²	88	114 Å²	114	41%	0.411	57%	0.568	S	S	.	*	H	α-helix	trans	-59.3	-36	-173.6	-154.1	-157.3	131.9	0	0	112.8	V539 V540 Q545 I546 R547	V539-E543 PolarHBondContact O-N 3.28Å; V540-E543 PolarHBondContact O-N 3.07Å; E543-Q545 VanDerWaalsContact C-N 3.31Å; E543-Q545 PolarHBondContact O-N 3.41Å; E543-I546 PolarHBondContact O-N 3.44Å; E543-R547 PolarHBondContact O-N 3.29Å; E543-R547 VanDerWaalsContact O-N 3.13Å; E543-R547 IonicContact OE1-CZ 3.33Å; E543-R547 IonicContact OE1-NE 2.74Å; E543-R547 PolarHBondContact OE1-NE 2.9Å; E543-R547 IonicContact OE1-NH2 2.94Å; E543-R547 PolarHBondContact OE1-NH2 3.26Å
544	G	50.6	Low	43.8	Very low	58 Å²	58	114.5 Å²	114.5	60%	0.598	57%	0.57	S	S	*	*	H	α-helix	trans	-61.8	-34	175.7	0	0	0	0	0	113.9	N542	N542-G544 VanDerWaalsContact C-N 3.25Å; N542-G544 PolarHBondContact O-N 3.18Å
545	Q	47.8	Very low	43.9	Very low	145 Å²	145	117.7 Å²	117.7	68%	0.678	58%	0.582	S	S	*	*	H	α-helix	trans	-74.3	-37.9	176.5	-61.8	-170.6	3.6	0	0	111.3	N542 E543 R547 H548 F549	N542-Q545 PolarHBondContact O-N 3.29Å; E543-Q545 VanDerWaalsContact C-N 3.31Å; E543-Q545 PolarHBondContact O-N 3.41Å; Q545-R547 VanDerWaalsContact C-N 3.33Å; Q545-R547 PolarHBondContact O-N 2.75Å; Q545-H548 PolarHBondContact O-N 3.26Å; Q545-F549 PolarHBondContact O-N 2.89Å
546	I	48.4	Very low	43.9	Very low	101 Å²	101	118.8 Å²	118.8	52%	0.518	59%	0.588	S	S	.	*	H	α-helix	trans	-63.9	-37.8	178.7	-63.1	170.3	0	0	0	111.1	N542 E543 H548 F549 N550	N542-I546 PolarHBondContact O-N 3.33Å; E543-I546 PolarHBondContact O-N 3.44Å; I546-H548 PolarHBondContact O-N 3.43Å; I546-F549 WeakPolarHBondContact O-CB 3.41Å; I546-F549 PolarHBondContact O-N 3.1Å; I546-N550 PolarHBondContact O-N 2.57Å
547	R	43.8	Very low	43.9	Very low	172 Å²	172	118 Å²	118	65%	0.649	60%	0.595	S	S	*	*	H	α-helix	trans	-63.9	-37.5	174.8	-66.1	-177.6	-171.5	-167.1	5.5	112.6	E543 Q545 F549 T551	E543-R547 PolarHBondContact O-N 3.29Å; E543-R547 VanDerWaalsContact O-N 3.13Å; E543-R547 IonicContact OE1-CZ 3.33Å; E543-R547 IonicContact OE1-NE 2.74Å; E543-R547 PolarHBondContact OE1-NE 2.9Å; E543-R547 IonicContact OE1-NH2 2.94Å; E543-R547 PolarHBondContact OE1-NH2 3.26Å; Q545-R547 VanDerWaalsContact C-N 3.33Å; Q545-R547 PolarHBondContact O-N 2.75Å; R547-F549 VanDerWaalsContact C-N 3.35Å; R547-T551 PolarHBondContact O-N 3.33Å
548	H	42.6	Very low	44	Very low	139 Å²	139	113.4 Å²	113.4	64%	0.644	59%	0.588	S	S	*	*	H	α-helix	trans	-74.8	-22.1	174.5	-169.4	54	0	0	0	113.7	Q545 I546 T551 R552	Q545-H548 PolarHBondContact O-N 3.26Å; I546-H548 PolarHBondContact O-N 3.43Å; H548-T551 PolarHBondContact O-OG1 3.1Å; H548-R552 PolarHBondContact NE2-NH2 3.25Å
549	F	44.3	Very low	44.2	Very low	143 Å²	143	110.1 Å²	110.1	63%	0.627	59%	0.589	S	S	*	*	H	α-helix	trans	-73.6	-42.6	171.7	-164.4	-102	0	0	0	111.1	Q545 I546 R547 T551 R552 L553	Q545-F549 PolarHBondContact O-N 2.89Å; I546-F549 WeakPolarHBondContact O-CB 3.41Å; I546-F549 PolarHBondContact O-N 3.1Å; R547-F549 VanDerWaalsContact C-N 3.35Å; F549-T551 PolarHBondContact O-N 2.74Å; F549-R552 PolarHBondContact O-N 3.46Å; F549-L553 HydrophobicContact CD1-CD1 3.9Å; F549-L553 HydrophobicContact CE1-CD1 3.62Å; F549-L553 PolarHBondContact O-N 2.88Å; F549-L553 VanDerWaalsContact O-N 3.15Å
550	N	38.3	Very low	44.1	Very low	100 Å²	100	108.2 Å²	108.2	54%	0.535	59%	0.589	S	S	.	*	H	α-helix	trans	-64.4	-34.9	179.7	-164.2	-13.6	0	0	0	113	I546 L553 K554	I546-N550 PolarHBondContact O-N 2.57Å; N550-L553 PolarHBondContact O-N 3.08Å; N550-K554 PolarHBondContact O-N 2.69Å
551	T	46	Very low	43.7	Very low	80 Å²	80	109.7 Å²	109.7	49%	0.491	59%	0.594	S	S	.	*	H	α-helix	trans	-63.6	-42.5	174	44.9	0	0	0	0	112.4	R547 H548 F549 L553 K554	R547-T551 PolarHBondContact O-N 3.33Å; H548-T551 PolarHBondContact O-OG1 3.1Å; F549-T551 PolarHBondContact O-N 2.74Å; T551-L553 VanDerWaalsContact C-N 3.27Å; T551-L553 PolarHBondContact O-N 3.24Å; T551-K554 PolarHBondContact O-N 3.47Å
552	R	43.9	Very low	43.9	Very low	144 Å²	144	108.9 Å²	108.9	54%	0.543	58%	0.583	S	S	.	*	H	α-helix	trans	-65.6	-30.3	174.7	-61.6	-172.2	-164.1	-167.5	7.3	113.2	H548 F549 K554 D555 L556	H548-R552 PolarHBondContact NE2-NH2 3.25Å; F549-R552 PolarHBondContact O-N 3.46Å; R552-K554 PolarHBondContact O-N 3.01Å; R552-D555 PolarHBondContact O-N 3.48Å; R552-L556 PolarHBondContact O-N 3.15Å
553	L	42.9	Very low	43.7	Very low	95 Å²	95	111.2 Å²	111.2	50%	0.497	60%	0.595	S	S	.	*	H	α-helix	trans	-70.5	-18.3	179.7	-126.5	148	0	0	0	112.9	F549 N550 T551	F549-L553 HydrophobicContact CD1-CD1 3.9Å; F549-L553 HydrophobicContact CE1-CD1 3.62Å; F549-L553 PolarHBondContact O-N 2.88Å; F549-L553 VanDerWaalsContact O-N 3.15Å; N550-L553 PolarHBondContact O-N 3.08Å; T551-L553 VanDerWaalsContact C-N 3.27Å; T551-L553 PolarHBondContact O-N 3.24Å
554	K	38.7	Very low	43.6	Very low	151 Å²	151	113.4 Å²	113.4	66%	0.657	61%	0.605	S	S	*	*	H	α-helix	trans	-84.4	-29.9	171.6	-74.9	-169.9	171.2	-172.7	0	114.1	N550 T551 R552 L556 S557	N550-K554 PolarHBondContact O-N 2.69Å; T551-K554 PolarHBondContact O-N 3.47Å; R552-K554 PolarHBondContact O-N 3.01Å; K554-L556 VanDerWaalsContact C-N 3.26Å; K554-L556 PolarHBondContact O-N 3.01Å; K554-S557 PolarHBondContact O-N 3.43Å; K554-S557 PolarHBondContact O-OG 3.38Å
555	D	41.8	Very low	43.3	Very low	134 Å²	134	115.7 Å²	115.7	72%	0.717	60%	0.604	S	S	*	*	H	α-helix	trans	-70.1	-27.6	172.1	-68.1	-20.7	0	0	0	111.4	R552 S557	R552-D555 PolarHBondContact O-N 3.48Å; D555-S557 PolarHBondContact O-N 2.96Å
556	L	40.3	Very low	43.2	Very low	126 Å²	126	117.5 Å²	117.5	66%	0.66	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-12.9	178.5	-74.3	165.8	0	0	0	114.8	R552 K554 V558 S559	R552-L556 PolarHBondContact O-N 3.15Å; K554-L556 VanDerWaalsContact C-N 3.26Å; K554-L556 PolarHBondContact O-N 3.01Å; L556-V558 VanDerWaalsContact C-N 3.27Å; L556-V558 PolarHBondContact O-N 3.18Å; L556-S559 PolarHBondContact O-OG 3.09Å
557	S	38	Very low	43	Very low	92 Å²	92	116.9 Å²	116.9	64%	0.643	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	3.9	177.8	64.1	0	0	0	0	114.6	K554 D555 S559	K554-S557 PolarHBondContact O-N 3.43Å; K554-S557 PolarHBondContact O-OG 3.38Å; D555-S557 PolarHBondContact O-N 2.96Å; S557-S559 VanDerWaalsContact C-N 3.25Å; S557-S559 PolarHBondContact O-N 3.44Å
558	V	43.4	Very low	43	Very low	106 Å²	106	113.5 Å²	113.5	64%	0.642	60%	0.599	S	S	*	*			trans	-95.3	40.9	174.2	-161	0	0	0	0	110.8	L556	L556-V558 VanDerWaalsContact C-N 3.27Å; L556-V558 PolarHBondContact O-N 3.18Å
559	S	44.1	Very low	42.9	Very low	84 Å²	84	112 Å²	112	59%	0.587	60%	0.596	S	S	*	*			trans	-101.7	-5.7	-176.8	35.5	0	0	0	0	113.8	L556 S557	L556-S559 PolarHBondContact O-OG 3.09Å; S557-S559 VanDerWaalsContact C-N 3.25Å; S557-S559 PolarHBondContact O-N 3.44Å
560	G	44.8	Very low	42.9	Very low	58 Å²	58	110.8 Å²	110.8	60%	0.598	60%	0.595	S	S	*	*	S	Bend	trans	-71.8	-45.6	179.5	0	0	0	0	0	114.2	S562	G560-S562 PolarHBondContact O-N 3.03Å
561	D	40.1	Very low	43.2	Very low	124 Å²	124	108.8 Å²	108.8	66%	0.663	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-30.7	-171	-55.1	-40.5	0	0	0	112.6	L563 H564	D561-L563 PolarHBondContact O-N 3.13Å; D561-L563 VanDerWaalsContact O-N 3.12Å; D561-H564 PolarHBondContact O-N 3.27Å
562	S	48.8	Very low	43	Very low	65 Å²	65	110 Å²	110	46%	0.455	59%	0.589	S	S	.	*	H	α-helix	trans	-59.3	-23.8	179.7	-174.7	0	0	0	0	114.2	G560 R566	G560-S562 PolarHBondContact O-N 3.03Å; S562-R566 WeakPolarHBondContact O-CG 3.48Å; S562-R566 PolarHBondContact O-N 3.25Å
563	L	42.8	Very low	43.3	Very low	131 Å²	131	107 Å²	107	69%	0.686	58%	0.584	S	S	*	*	H	α-helix	trans	-77.5	-26.7	178.1	-148.4	81.6	0	0	0	112.7	D561 V567	D561-L563 PolarHBondContact O-N 3.13Å; D561-L563 VanDerWaalsContact O-N 3.12Å; L563-V567 WeakPolarHBondContact O-CG2 3.43Å; L563-V567 PolarHBondContact O-N 3.11Å
564	H	44.4	Very low	43.5	Very low	133 Å²	133	107 Å²	107	62%	0.616	59%	0.587	S	S	*	*	H	α-helix	trans	-76.5	-46.9	-178.2	-163.3	67.6	0	0	0	111.3	D561 R566 V567 L568	D561-H564 PolarHBondContact O-N 3.27Å; H564-R566 VanDerWaalsContact C-N 3.33Å; H564-R566 PolarHBondContact O-N 3.18Å; H564-V567 PolarHBondContact O-N 3.2Å; H564-V567 VanDerWaalsContact O-N 3.15Å; H564-L568 PolarHBondContact O-N 2.97Å
565	D	44.1	Very low	44.1	Very low	107 Å²	107	107.5 Å²	107.5	57%	0.572	59%	0.585	S	S	*	*	H	α-helix	trans	-61.8	-40.1	177.1	-72.4	-16.1	0	0	0	111.8	V567 L568 D569	D565-V567 VanDerWaalsContact C-N 3.27Å; D565-V567 PolarHBondContact O-N 3.05Å; D565-L568 WeakPolarHBondContact O-CB 3.33Å; D565-L568 PolarHBondContact O-N 3.47Å; D565-D569 PolarHBondContact O-N 3.33Å
566	R	46.4	Very low	44.7	Very low	182 Å²	182	102.7 Å²	102.7	69%	0.687	56%	0.564	S	S	*	*	H	α-helix	trans	-62.6	-29.3	175.9	-78.7	-179.3	164.5	-153.2	-5.6	114	S562 H564 L570	S562-R566 WeakPolarHBondContact O-CG 3.48Å; S562-R566 PolarHBondContact O-N 3.25Å; H564-R566 VanDerWaalsContact C-N 3.33Å; H564-R566 PolarHBondContact O-N 3.18Å; R566-L570 WeakPolarHBondContact O-CB 3.41Å; R566-L570 PolarHBondContact O-N 3.34Å; R566-L570 VanDerWaalsContact O-N 3.13Å
567	V	44.4	Very low	45.2	Very low	89 Å²	89	101.4 Å²	101.4	54%	0.539	56%	0.557	S	S	.	*	H	α-helix	trans	-77.7	-29.5	174.7	171	0	0	0	0	111.3	L563 H564 D565 S571	L563-V567 WeakPolarHBondContact O-CG2 3.43Å; L563-V567 PolarHBondContact O-N 3.11Å; H564-V567 PolarHBondContact O-N 3.2Å; H564-V567 VanDerWaalsContact O-N 3.15Å; D565-V567 VanDerWaalsContact C-N 3.27Å; D565-V567 PolarHBondContact O-N 3.05Å; V567-S571 WeakPolarHBondContact O-CB 3.24Å; V567-S571 PolarHBondContact O-N 3.05Å; V567-S571 PolarHBondContact O-OG 2.91Å
568	L	43.3	Very low	45.5	Very low	101 Å²	101	102.5 Å²	102.5	53%	0.529	55%	0.55	S	S	.	*	H	α-helix	trans	-71.3	-44.1	172.2	-74.2	165.1	0	0	0	112	H564 D565 S571 H572	H564-L568 PolarHBondContact O-N 2.97Å; D565-L568 WeakPolarHBondContact O-CB 3.33Å; D565-L568 PolarHBondContact O-N 3.47Å; L568-S571 WeakPolarHBondContact O-CB 3.45Å; L568-S571 PolarHBondContact O-N 3.17Å; L568-H572 PolarHBondContact O-N 3.25Å
569	D	41	Very low	46	Very low	107 Å²	107	102.1 Å²	102.1	57%	0.572	55%	0.552	S	S	*	*	H	α-helix	trans	-60.3	-50.2	174.6	-104.4	-6	0	0	0	111.2	D565 S571 H572 D573	D565-D569 PolarHBondContact O-N 3.33Å; D569-S571 PolarHBondContact O-N 3.16Å; D569-S571 VanDerWaalsContact O-N 3.16Å; D569-H572 CarbonylContact O-C 3.56Å; D569-H572 WeakPolarHBondContact O-CA 3.41Å; D569-H572 VanDerWaalsContact O-CB 3.3Å; D569-H572 WeakPolarHBondContact O-CB 3.46Å; D569-H572 PolarHBondContact O-N 3.33Å; D569-D573 PolarHBondContact O-N 3.12Å
570	L	43.8	Very low	46.3	Very low	117 Å²	117	104 Å²	104	61%	0.613	56%	0.555	S	S	*	*	H	α-helix	trans	-60.3	-32.3	178.4	-159.1	74.2	0	0	0	112.1	R566 H572 V574	R566-L570 WeakPolarHBondContact O-CB 3.41Å; R566-L570 PolarHBondContact O-N 3.34Å; R566-L570 VanDerWaalsContact O-N 3.13Å; L570-H572 VanDerWaalsContact C-N 3.31Å; L570-V574 VanDerWaalsContact O-CG2 3.3Å; L570-V574 WeakPolarHBondContact O-CG2 3.44Å; L570-V574 PolarHBondContact O-N 2.82Å
571	S	44.3	Very low	46.6	Very low	59 Å²	59	104.8 Å²	104.8	41%	0.413	55%	0.548	S	S	.	.	H	α-helix	trans	-72.7	-21.9	174.2	-61.6	0	0	0	0	113.5	V567 L568 D569 R575	V567-S571 WeakPolarHBondContact O-CB 3.24Å; V567-S571 PolarHBondContact O-N 3.05Å; V567-S571 PolarHBondContact O-OG 2.91Å; L568-S571 WeakPolarHBondContact O-CB 3.45Å; L568-S571 PolarHBondContact O-N 3.17Å; D569-S571 PolarHBondContact O-N 3.16Å; D569-S571 VanDerWaalsContact O-N 3.16Å; S571-R575 VanDerWaalsContact O-CZ 3.3Å; S571-R575 PolarHBondContact O-NE 3.45Å; S571-R575 PolarHBondContact O-NH2 2.93Å
572	H	42.8	Very low	46.9	Very low	106 Å²	106	100.5 Å²	100.5	49%	0.491	53%	0.534	S	S	.	.	H	α-helix	trans	-82.6	-44.9	172	-177.3	-94.8	0	0	0	110.7	L568 D569 L570 V574 R575 A576	L568-H572 PolarHBondContact O-N 3.25Å; D569-H572 CarbonylContact O-C 3.56Å; D569-H572 WeakPolarHBondContact O-CA 3.41Å; D569-H572 VanDerWaalsContact O-CB 3.3Å; D569-H572 WeakPolarHBondContact O-CB 3.46Å; D569-H572 PolarHBondContact O-N 3.33Å; L570-H572 VanDerWaalsContact C-N 3.31Å; H572-V574 PolarHBondContact O-N 3.27Å; H572-R575 CarbonylContact O-C 3.55Å; H572-R575 WeakPolarHBondContact O-CA 3.41Å; H572-R575 WeakPolarHBondContact O-CB 3.44Å; H572-R575 PolarHBondContact O-N 3.15Å; H572-A576 PolarHBondContact O-N 3.13Å
573	D	48.7	Very low	47	Very low	80 Å²	80	103.3 Å²	103.3	43%	0.428	54%	0.544	S	S	.	.	H	α-helix	trans	-64.7	-40.9	-179.9	-71.9	-17.2	0	0	0	112.9	D569 R575 A576 I577	D569-D573 PolarHBondContact O-N 3.12Å; D573-R575 PolarHBondContact O-N 3.48Å; D573-A576 PolarHBondContact O-N 3.12Å; D573-A576 VanDerWaalsContact O-N 3.1Å; D573-I577 WeakPolarHBondContact O-CB 3.48Å; D573-I577 VanDerWaalsContact O-CG1 3.27Å; D573-I577 WeakPolarHBondContact O-CG1 3.43Å; D573-I577 PolarHBondContact O-N 2.86Å
574	V	48.3	Very low	47.3	Very low	94 Å²	94	104.3 Å²	104.3	57%	0.57	55%	0.55	S	S	*	.	H	α-helix	trans	-59.3	-29.8	171.6	168.8	0	0	0	0	111.7	L570 H572 K578	L570-V574 VanDerWaalsContact O-CG2 3.3Å; L570-V574 WeakPolarHBondContact O-CG2 3.44Å; L570-V574 PolarHBondContact O-N 2.82Å; H572-V574 PolarHBondContact O-N 3.27Å; V574-K578 WeakPolarHBondContact O-CB 3.21Å; V574-K578 PolarHBondContact O-N 3.01Å; V574-K578 VanDerWaalsContact O-N 3.13Å
575	R	51.4	Low	47.7	Very low	162 Å²	162	99.5 Å²	99.5	61%	0.611	54%	0.536	S	S	*	.	H	α-helix	trans	-76.2	-39.9	175.1	-128.7	174.8	-60.8	141.7	5.3	111.9	S571 H572 D573 K578 S579	S571-R575 VanDerWaalsContact O-CZ 3.3Å; S571-R575 PolarHBondContact O-NE 3.45Å; S571-R575 PolarHBondContact O-NH2 2.93Å; H572-R575 CarbonylContact O-C 3.55Å; H572-R575 WeakPolarHBondContact O-CA 3.41Å; H572-R575 WeakPolarHBondContact O-CB 3.44Å; H572-R575 PolarHBondContact O-N 3.15Å; D573-R575 PolarHBondContact O-N 3.48Å; R575-K578 PolarHBondContact O-N 3.08Å; R575-S579 PolarHBondContact O-N 3Å; R575-S579 VanDerWaalsContact O-N 3.11Å
576	A	53.3	Low	48.1	Very low	33 Å²	33	102.3 Å²	102.3	27%	0.273	55%	0.546	S	S	.	.	H	α-helix	trans	-64.8	-47.1	174.2	0	0	0	0	0	111.5	H572 D573 K578 S579 L580	H572-A576 PolarHBondContact O-N 3.13Å; D573-A576 PolarHBondContact O-N 3.12Å; D573-A576 VanDerWaalsContact O-N 3.1Å; A576-K578 VanDerWaalsContact C-N 3.32Å; A576-K578 PolarHBondContact O-N 2.94Å; A576-S579 WeakPolarHBondContact O-CA 3.44Å; A576-S579 PolarHBondContact O-N 3.11Å; A576-S579 PolarHBondContact O-OG 3.27Å; A576-L580 WeakPolarHBondContact O-CG 3.31Å; A576-L580 PolarHBondContact O-N 3.46Å; A576-L580 VanDerWaalsContact O-N 3.1Å
577	I	51.5	Low	48.4	Very low	99 Å²	99	98.4 Å²	98.4	51%	0.508	54%	0.538	S	S	.	.	H	α-helix	trans	-54.7	-48	173.3	-69.3	164.4	0	0	0	110.3	D573 S579 L580 T581	D573-I577 WeakPolarHBondContact O-CB 3.48Å; D573-I577 VanDerWaalsContact O-CG1 3.27Å; D573-I577 WeakPolarHBondContact O-CG1 3.43Å; D573-I577 PolarHBondContact O-N 2.86Å; I577-S579 PolarHBondContact O-N 2.85Å; I577-L580 PolarHBondContact O-N 3.27Å; I577-T581 HydrophobicContact CG2-CG2 4.42Å; I577-T581 PolarHBondContact O-N 3.49Å; I577-T581 PolarHBondContact O-OG1 2.99Å
578	K	44.3	Very low	48.5	Very low	115 Å²	115	101.3 Å²	101.3	50%	0.5	54%	0.544	S	S	.	.	H	α-helix	trans	-60.1	-33.1	177.2	-174.5	167.9	-178.3	172.7	0	113.1	V574 R575 A576 L580 G582 D583	V574-K578 WeakPolarHBondContact O-CB 3.21Å; V574-K578 PolarHBondContact O-N 3.01Å; V574-K578 VanDerWaalsContact O-N 3.13Å; R575-K578 PolarHBondContact O-N 3.08Å; A576-K578 VanDerWaalsContact C-N 3.32Å; A576-K578 PolarHBondContact O-N 2.94Å; K578-L580 VanDerWaalsContact C-N 3.35Å; K578-G582 PolarHBondContact O-N 3.45Å; K578-D583 WeakPolarHBondContact CE-OD1 3.42Å; K578-D583 IonicContact NZ-OD1 3.41Å; K578-D583 PolarHBondContact NZ-OD1 3.4Å
579	S	53.8	Low	48.5	Very low	98 Å²	98	102.3 Å²	102.3	69%	0.685	55%	0.55	S	S	*	.	H	α-helix	trans	-75.1	-19.6	174.2	73.1	0	0	0	0	114.5	R575 A576 I577	R575-S579 PolarHBondContact O-N 3Å; R575-S579 VanDerWaalsContact O-N 3.11Å; A576-S579 WeakPolarHBondContact O-CA 3.44Å; A576-S579 PolarHBondContact O-N 3.11Å; A576-S579 PolarHBondContact O-OG 3.27Å; I577-S579 PolarHBondContact O-N 2.85Å
580	L	50.6	Low	48.7	Very low	125 Å²	125	105.2 Å²	105.2	65%	0.654	55%	0.553	S	S	*	*	H	α-helix	trans	-92.1	-38.1	-179.3	-74	164.2	0	0	0	113.2	A576 I577 K578 N587	A576-L580 WeakPolarHBondContact O-CG 3.31Å; A576-L580 PolarHBondContact O-N 3.46Å; A576-L580 VanDerWaalsContact O-N 3.1Å; I577-L580 PolarHBondContact O-N 3.27Å; K578-L580 VanDerWaalsContact C-N 3.35Å; L580-N587 PolarHBondContact O-ND2 3.41Å; L580-N587 VanDerWaalsContact O-ND2 3.13Å
581	T	49.4	Very low	49	Very low	73 Å²	73	104.4 Å²	104.4	45%	0.448	55%	0.548	S	S	.	.	H	α-helix	trans	-77.6	-29	177.3	56.5	0	0	0	0	113	I577 G585	I577-T581 HydrophobicContact CG2-CG2 4.42Å; I577-T581 PolarHBondContact O-N 3.49Å; I577-T581 PolarHBondContact O-OG1 2.99Å; T581-G585 WeakPolarHBondContact O-CA 3.45Å
582	G	47.8	Very low	48.9	Very low	35 Å²	35	104.2 Å²	104.2	36%	0.361	54%	0.544	S	S	.	.			trans	71.5	155.2	-165.4	0	0	0	0	0	111.9	K578 N584 G585	K578-G582 PolarHBondContact O-N 3.45Å; G582-N584 PolarHBondContact O-N 3.13Å; G582-N584 VanDerWaalsContact O-N 3.08Å; G582-G585 PolarHBondContact O-N 3.45Å
583	D	51	Low	49.1	Very low	124 Å²	124	105.1 Å²	105.1	66%	0.663	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-22.3	-172.3	-86.2	-81.3	0	0	0	114.7	K578	K578-D583 WeakPolarHBondContact CE-OD1 3.42Å; K578-D583 IonicContact NZ-OD1 3.41Å; K578-D583 PolarHBondContact NZ-OD1 3.4Å
584	N	49.5	Very low	48.9	Very low	152 Å²	152	106.1 Å²	106.1	81%	0.813	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.6	17	178.8	-68.4	-50.7	0	0	0	114.7	G582 E586	G582-N584 PolarHBondContact O-N 3.13Å; G582-N584 VanDerWaalsContact O-N 3.08Å; N584-E586 PolarHBondContact O-N 3.12Å
585	G	51.3	Low	48.7	Very low	31 Å²	31	106.1 Å²	106.1	32%	0.32	55%	0.552	S	S	.	*			trans	75.7	18.3	167.1	0	0	0	0	0	117.8	T581 G582 N587 F588	T581-G585 WeakPolarHBondContact O-CA 3.45Å; G582-G585 PolarHBondContact O-N 3.45Å; G585-N587 PolarHBondContact O-N 3.24Å; G585-N587 VanDerWaalsContact O-N 3.1Å; G585-F588 WeakPolarHBondContact O-CB 3.47Å; G585-F588 PolarHBondContact O-N 3.39Å
586	E	52.8	Low	48.1	Very low	167 Å²	167	104.9 Å²	104.9	78%	0.78	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	-27.9	-173.9	-62	-179.5	156.7	0	0	114.4	N584 F588	N584-E586 PolarHBondContact O-N 3.12Å; E586-F588 VanDerWaalsContact C-N 3.26Å; E586-F588 PolarHBondContact O-N 2.9Å
587	N	53	Low	47.4	Very low	100 Å²	100	110.8 Å²	110.8	54%	0.535	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.2	-19.9	176.4	-83.8	-27.5	0	0	0	114.1	L580 G585 R590	L580-N587 PolarHBondContact O-ND2 3.41Å; L580-N587 VanDerWaalsContact O-ND2 3.13Å; G585-N587 PolarHBondContact O-N 3.24Å; G585-N587 VanDerWaalsContact O-N 3.1Å; N587-R590 PolarHBondContact O-N 3.01Å
588	F	47	Very low	47	Very low	149 Å²	149	113 Å²	113	65%	0.654	59%	0.589	S	S	*	*	H	α-helix	trans	-69.5	-37.7	-173.7	-148.6	-92.9	0	0	0	112.4	G585 E586 R590 I591 V592	G585-F588 WeakPolarHBondContact O-CB 3.47Å; G585-F588 PolarHBondContact O-N 3.39Å; E586-F588 VanDerWaalsContact C-N 3.26Å; E586-F588 PolarHBondContact O-N 2.9Å; F588-R590 PolarHBondContact O-N 3.4Å; F588-I591 PolarHBondContact O-N 3.27Å; F588-V592 HydrophobicContact CD1-CG2 3.93Å; F588-V592 HydrophobicContact CE1-CG2 4.16Å; F588-V592 WeakPolarHBondContact O-CG2 3.46Å; F588-V592 PolarHBondContact O-N 3.2Å
589	N	43.2	Very low	46.8	Very low	123 Å²	123	110.8 Å²	110.8	66%	0.658	60%	0.599	S	S	*	*	H	α-helix	trans	-62.7	-30.2	179.2	-72	-18.5	0	0	0	113	M593	N589-M593 PolarHBondContact O-N 2.91Å; N589-M593 VanDerWaalsContact O-N 3.16Å
590	R	45.6	Very low	46.4	Very low	168 Å²	168	115 Å²	115	63%	0.634	61%	0.608	S	S	*	*	H	α-helix	trans	-70.1	-41.7	176.7	-179.1	176.4	168.7	179.8	-4.2	111.8	N587 F588 V592 M593 E594	N587-R590 PolarHBondContact O-N 3.01Å; F588-R590 PolarHBondContact O-N 3.4Å; R590-V592 VanDerWaalsContact C-N 3.35Å; R590-M593 PolarHBondContact O-N 3.39Å; R590-E594 IonicContact CZ-OE1 2.92Å; R590-E594 IonicContact NE-OE1 3.12Å; R590-E594 PolarHBondContact NE-OE1 2.84Å; R590-E594 IonicContact NH2-OE1 3.04Å; R590-E594 PolarHBondContact NH2-OE1 2.89Å; R590-E594 PolarHBondContact O-N 3.12Å
591	I	48.6	Very low	46.1	Very low	99 Å²	99	116.6 Å²	116.6	51%	0.508	62%	0.617	S	S	.	*	H	α-helix	trans	-68.7	-37.8	178.8	-62	174.1	0	0	0	110.2	F588 E594 V595	F588-I591 PolarHBondContact O-N 3.27Å; I591-E594 PolarHBondContact O-N 3.23Å; I591-V595 WeakPolarHBondContact O-CG2 3.41Å; I591-V595 PolarHBondContact O-N 3.03Å
592	V	43.7	Very low	46	Very low	56 Å²	56	117 Å²	117	34%	0.339	62%	0.623	S	S	.	*	H	α-helix	trans	-57.8	-48.5	172.6	173	0	0	0	0	110.8	F588 R590 E594 V595 E596	F588-V592 HydrophobicContact CD1-CG2 3.93Å; F588-V592 HydrophobicContact CE1-CG2 4.16Å; F588-V592 WeakPolarHBondContact O-CG2 3.46Å; F588-V592 PolarHBondContact O-N 3.2Å; R590-V592 VanDerWaalsContact C-N 3.35Å; V592-E594 PolarHBondContact O-N 3.18Å; V592-V595 PolarHBondContact O-N 3.26Å; V592-V595 VanDerWaalsContact O-N 3.14Å; V592-E596 HydrophobicContact CG1-CG 4.33Å; V592-E596 WeakPolarHBondContact O-CG 3.35Å; V592-E596 PolarHBondContact O-N 3.14Å
593	M	45.2	Very low	45.8	Very low	124 Å²	124	120.8 Å²	120.8	61%	0.611	63%	0.631	S	S	*	*	H	α-helix	trans	-65	-35.8	176.8	-76.4	-158	73.2	0	0	114.2	N589 R590 V595 M597	N589-M593 PolarHBondContact O-N 2.91Å; N589-M593 VanDerWaalsContact O-N 3.16Å; R590-M593 PolarHBondContact O-N 3.39Å; M593-V595 VanDerWaalsContact C-N 3.26Å; M593-V595 PolarHBondContact O-N 3.13Å; M593-M597 WeakPolarHBondContact O-CG 3.41Å; M593-M597 PolarHBondContact O-N 3.33Å
594	E	45.7	Very low	45.4	Very low	102 Å²	102	120.8 Å²	120.8	48%	0.477	63%	0.63	S	S	.	*	H	α-helix	trans	-69.1	-24.4	174.8	-73.5	174.7	-170.2	0	0	111.9	R590 I591 V592	R590-E594 IonicContact CZ-OE1 2.92Å; R590-E594 IonicContact NE-OE1 3.12Å; R590-E594 PolarHBondContact NE-OE1 2.84Å; R590-E594 IonicContact NH2-OE1 3.04Å; R590-E594 PolarHBondContact NH2-OE1 2.89Å; R590-E594 PolarHBondContact O-N 3.12Å; I591-E594 PolarHBondContact O-N 3.23Å; V592-E594 PolarHBondContact O-N 3.18Å
595	V	44.6	Very low	45	Very low	94 Å²	94	117.7 Å²	117.7	57%	0.57	62%	0.619	S	S	*	*	H	α-helix	trans	-84.2	-40.7	173.7	170.5	0	0	0	0	112.7	I591 V592 M593 M597 L598	I591-V595 WeakPolarHBondContact O-CG2 3.41Å; I591-V595 PolarHBondContact O-N 3.03Å; V592-V595 PolarHBondContact O-N 3.26Å; V592-V595 VanDerWaalsContact O-N 3.14Å; M593-V595 VanDerWaalsContact C-N 3.26Å; M593-V595 PolarHBondContact O-N 3.13Å; V595-M597 PolarHBondContact O-N 3.07Å; V595-L598 PolarHBondContact O-N 2.64Å
596	E	37.9	Very low	44.6	Very low	135 Å²	135	119.9 Å²	119.9	63%	0.631	63%	0.63	S	S	*	*	H	α-helix	trans	-60.3	-31.6	177.9	-75	177.2	150.1	0	0	112.3	V592 L598 G599	V592-E596 HydrophobicContact CG1-CG 4.33Å; V592-E596 WeakPolarHBondContact O-CG 3.35Å; V592-E596 PolarHBondContact O-N 3.14Å; E596-L598 VanDerWaalsContact C-N 3.25Å; E596-L598 PolarHBondContact O-N 2.89Å; E596-G599 PolarHBondContact O-N 3.2Å
597	M	38.8	Very low	44.2	Very low	158 Å²	158	117.5 Å²	117.5	78%	0.778	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-7.9	175	-74.4	-62.8	-55.7	0	0	115.1	M593 V595	M593-M597 WeakPolarHBondContact O-CG 3.41Å; M593-M597 PolarHBondContact O-N 3.33Å; V595-M597 PolarHBondContact O-N 3.07Å
598	L	44.1	Very low	43.9	Very low	144 Å²	144	114.5 Å²	114.5	75%	0.754	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-2.4	177.4	-70.9	164.1	0	0	0	113.3	V595 E596 Q600	V595-L598 PolarHBondContact O-N 2.64Å; E596-L598 VanDerWaalsContact C-N 3.25Å; E596-L598 PolarHBondContact O-N 2.89Å; L598-Q600 PolarHBondContact O-N 2.97Å
599	G	39.8	Very low	43.6	Very low	69 Å²	69	112.9 Å²	112.9	71%	0.711	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	5.4	-170.8	0	0	0	0	0	117.6	E596	E596-G599 PolarHBondContact O-N 3.2Å
600	Q	44.7	Very low	43.7	Very low	187 Å²	187	109.9 Å²	109.9	87%	0.874	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	-14.3	-169.5	-76	-169.8	-21.3	0	0	117.1	L598	L598-Q600 PolarHBondContact O-N 2.97Å
601	D	45.4	Very low	43.5	Very low	159 Å²	159	106.7 Å²	106.7	85%	0.85	58%	0.581	S	S	*	*			trans	-124	87.5	-178.3	-80.7	-51.9	0	0	0	112.8
602	C	46.4	Very low	43.2	Very low	82 Å²	82	103.6 Å²	103.6	55%	0.554	57%	0.565	S	S	*	*			trans	-113.4	77.3	174.8	-164.1	0	0	0	0	112.8	L604 C605	C602-L604 PolarHBondContact O-N 3.28Å; C602-C605 PolarHBondContact O-N 2.75Å
603	E	43	Very low	43.1	Very low	113 Å²	113	106.3 Å²	106.3	53%	0.528	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.6	-3.1	173.8	-67.8	-156	151.6	0	0	115.1	M23 R607	M23-E603 WeakPolarHBondContact CE-OE1 3.45Å; E603-R607 PolarHBondContact O-NH1 2.82Å; E603-R607 IonicContact OE2-CZ 3Å; E603-R607 IonicContact OE2-NH1 2.72Å; E603-R607 PolarHBondContact OE2-NH1 3.35Å; E603-R607 IonicContact OE2-NH2 3.75Å
604	L	43.5	Very low	43	Very low	125 Å²	125	104.6 Å²	104.6	65%	0.654	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-36.3	-177.4	-74.3	164.5	0	0	0	112.3	C602 R607 V608	C602-L604 PolarHBondContact O-N 3.28Å; L604-R607 PolarHBondContact O-N 3.49Å; L604-V608 WeakPolarHBondContact O-CG2 3.26Å; L604-V608 PolarHBondContact O-N 3.49Å; L604-V608 VanDerWaalsContact O-N 3.16Å
605	C	40.8	Very low	42.7	Very low	86 Å²	86	104.5 Å²	104.5	58%	0.581	57%	0.57	S	S	*	*	H	α-helix	trans	-64.9	-45.1	-176.6	-63.4	0	0	0	0	112.1	C602 R607 V608 E609	C602-C605 PolarHBondContact O-N 2.75Å; C605-R607 VanDerWaalsContact C-N 3.28Å; C605-R607 PolarHBondContact O-N 3.4Å; C605-V608 PolarHBondContact O-N 3.49Å; C605-V608 VanDerWaalsContact O-N 3.17Å; C605-E609 PolarHBondContact O-N 3.23Å
606	S	43.9	Very low	42.4	Very low	78 Å²	78	102.1 Å²	102.1	55%	0.545	55%	0.552	S	S	.	*	H	α-helix	trans	-65.2	-28.6	179.1	57.2	0	0	0	0	113.5	A610	S606-A610 WeakPolarHBondContact O-CB 3.21Å; S606-A610 PolarHBondContact O-N 3.22Å
607	R	43.6	Very low	42.5	Very low	116 Å²	116	101.1 Å²	101.1	44%	0.438	55%	0.551	S	S	.	*	H	α-helix	trans	-70.3	-44.1	171.8	-75.6	178.5	167.7	109.4	-8.6	111.8	E603 L604 C605 E609 A610 D611	E603-R607 PolarHBondContact O-NH1 2.82Å; E603-R607 IonicContact OE2-CZ 3Å; E603-R607 IonicContact OE2-NH1 2.72Å; E603-R607 PolarHBondContact OE2-NH1 3.35Å; E603-R607 IonicContact OE2-NH2 3.75Å; L604-R607 PolarHBondContact O-N 3.49Å; C605-R607 VanDerWaalsContact C-N 3.28Å; C605-R607 PolarHBondContact O-N 3.4Å; R607-E609 PolarHBondContact O-N 2.89Å; R607-A610 PolarHBondContact O-N 3.1Å; R607-D611 PolarHBondContact O-N 3.34Å
608	V	45.8	Very low	42.7	Very low	38 Å²	38	101.4 Å²	101.4	23%	0.23	54%	0.544	C	S	.	.	H	α-helix	trans	-63	-40.7	178.4	173.2	0	0	0	0	111.5	L604 C605 L612 M804	L604-V608 WeakPolarHBondContact O-CG2 3.26Å; L604-V608 PolarHBondContact O-N 3.49Å; L604-V608 VanDerWaalsContact O-N 3.16Å; C605-V608 PolarHBondContact O-N 3.49Å; C605-V608 VanDerWaalsContact O-N 3.17Å; V608-L612 HydrophobicContact CG1-CD1 4.11Å; V608-L612 WeakPolarHBondContact O-CB 3.47Å; V608-L612 WeakPolarHBondContact O-CG 3.42Å; V608-L612 PolarHBondContact O-N 3.28Å; V608-M804 HydrophobicContact CG1-CE 4.36Å; V608-M804 HydrophobicContact CG1-SD 4.01Å
609	E	40.7	Very low	42.6	Very low	115 Å²	115	96 Å²	96	54%	0.537	52%	0.518	S	S	.	.	H	α-helix	trans	-66.6	-39.2	177.4	-164.5	178.4	-178.8	0	0	112.5	C605 R607 L612 Q613	C605-E609 PolarHBondContact O-N 3.23Å; R607-E609 PolarHBondContact O-N 2.89Å; E609-L612 PolarHBondContact O-N 2.87Å; E609-Q613 PolarHBondContact O-N 2.83Å; E609-Q613 VanDerWaalsContact O-N 3.08Å
610	A	46.1	Very low	42.8	Very low	59 Å²	59	99.3 Å²	99.3	49%	0.488	52%	0.515	S	S	.	.	H	α-helix	trans	-66.8	-44.4	175.4	0	0	0	0	0	112.8	S606 R607 L612 Q613 N614	S606-A610 WeakPolarHBondContact O-CB 3.21Å; S606-A610 PolarHBondContact O-N 3.22Å; R607-A610 PolarHBondContact O-N 3.1Å; A610-L612 VanDerWaalsContact C-N 3.32Å; A610-L612 PolarHBondContact O-N 2.86Å; A610-Q613 PolarHBondContact O-N 3.22Å; A610-N614 PolarHBondContact O-N 3.45Å
611	D	41.8	Very low	42.9	Very low	101 Å²	101	95.7 Å²	95.7	54%	0.54	50%	0.502	S	S	.	.	H	α-helix	trans	-65.3	-36.3	175.7	-78.5	-28.5	0	0	0	111.5	R607 N614 L615	R607-D611 PolarHBondContact O-N 3.34Å; D611-N614 PolarHBondContact O-N 3.17Å; D611-L615 PolarHBondContact O-N 3.07Å
612	L	41.7	Very low	42.7	Very low	34 Å²	34	90.8 Å²	90.8	18%	0.178	48%	0.475	C	S	.	.	H	α-helix	trans	-59.7	-46.6	171.5	-84.5	168.3	0	0	0	111.7	R317 V608 E609 A610 N614 L615 Q616	R317-L612 PolarHBondContact NH1-O 2.89Å; R317-L612 VanDerWaalsContact NH2-C 3.32Å; R317-L612 PolarHBondContact NH2-O 3.45Å; V608-L612 HydrophobicContact CG1-CD1 4.11Å; V608-L612 WeakPolarHBondContact O-CB 3.47Å; V608-L612 WeakPolarHBondContact O-CG 3.42Å; V608-L612 PolarHBondContact O-N 3.28Å; E609-L612 PolarHBondContact O-N 2.87Å; A610-L612 VanDerWaalsContact C-N 3.32Å; A610-L612 PolarHBondContact O-N 2.86Å; L612-N614 VanDerWaalsContact C-N 3.3Å; L612-N614 PolarHBondContact O-N 3.28Å; L612-L615 PolarHBondContact O-N 3.36Å; L612-Q616 PolarHBondContact O-N 3.39Å
613	Q	42	Very low	42.5	Very low	113 Å²	113	91 Å²	91	53%	0.528	48%	0.478	S	S	.	.	H	α-helix	trans	-62.8	-36.9	176.1	-73.1	-170.9	5.3	0	0	112.4	E609 A610 L615 Q616 N617	E609-Q613 PolarHBondContact O-N 2.83Å; E609-Q613 VanDerWaalsContact O-N 3.08Å; A610-Q613 PolarHBondContact O-N 3.22Å; Q613-L615 VanDerWaalsContact C-N 3.3Å; Q613-L615 PolarHBondContact O-N 3.11Å; Q613-Q616 WeakPolarHBondContact O-CB 3.49Å; Q613-Q616 PolarHBondContact O-N 3.31Å; Q613-N617 PolarHBondContact O-N 3.09Å
614	N	42.9	Very low	42.6	Very low	88 Å²	88	88.3 Å²	88.3	47%	0.471	48%	0.475	S	S	.	.	H	α-helix	trans	-65.9	-31.9	178.7	-156.7	1	0	0	0	112.6	A610 D611 L612	A610-N614 PolarHBondContact O-N 3.45Å; D611-N614 PolarHBondContact O-N 3.17Å; L612-N614 VanDerWaalsContact C-N 3.3Å; L612-N614 PolarHBondContact O-N 3.28Å
615	L	39.7	Very low	42.5	Very low	101 Å²	101	87.7 Å²	87.7	53%	0.529	47%	0.47	S	S	.	.	H	α-helix	trans	-69	-37.8	171.3	-73.7	165	0	0	0	112.8	D611 L612 Q613 N617 R618 S619	D611-L615 PolarHBondContact O-N 3.07Å; L612-L615 PolarHBondContact O-N 3.36Å; Q613-L615 VanDerWaalsContact C-N 3.3Å; Q613-L615 PolarHBondContact O-N 3.11Å; L615-N617 VanDerWaalsContact C-N 3.34Å; L615-N617 PolarHBondContact O-N 3.47Å; L615-R618 WeakPolarHBondContact O-CB 3.41Å; L615-R618 PolarHBondContact O-N 3.08Å; L615-R618 VanDerWaalsContact O-N 3.1Å; L615-S619 PolarHBondContact O-N 3.03Å
616	Q	38.5	Very low	42.5	Very low	43 Å²	43	88.6 Å²	88.6	20%	0.201	47%	0.466	C	S	.	.	H	α-helix	trans	-66.1	-34	-179.6	-155.1	161.8	2.7	0	0	113	L612 Q613 R618 S619	L612-Q616 PolarHBondContact O-N 3.39Å; Q613-Q616 WeakPolarHBondContact O-CB 3.49Å; Q613-Q616 PolarHBondContact O-N 3.31Å; Q616-R618 VanDerWaalsContact C-N 3.29Å; Q616-S619 PolarHBondContact O-OG 3.46Å; Q616-S619 VanDerWaalsContact O-OG 3.1Å
617	N	39.1	Very low	42.5	Very low	114 Å²	114	92.3 Å²	92.3	61%	0.61	47%	0.474	S	S	*	.	H	α-helix	trans	-76.8	-17.9	175.4	-65.9	-27.8	0	0	0	112.5	Q613 L615	Q613-N617 PolarHBondContact O-N 3.09Å; L615-N617 VanDerWaalsContact C-N 3.34Å; L615-N617 PolarHBondContact O-N 3.47Å
618	R	43.4	Very low	42.5	Very low	164 Å²	164	89.6 Å²	89.6	62%	0.619	48%	0.477	S	S	*	.	H	α-helix	trans	-85.1	-26.8	177.5	-88.9	175.1	155.5	169.1	-5.9	114	L615 Q616 Q620 L622	L615-R618 WeakPolarHBondContact O-CB 3.41Å; L615-R618 PolarHBondContact O-N 3.08Å; L615-R618 VanDerWaalsContact O-N 3.1Å; Q616-R618 VanDerWaalsContact C-N 3.29Å; R618-Q620 VanDerWaalsContact C-N 3.34Å; R618-L622 VanDerWaalsContact O-CD1 3.23Å; R618-L622 WeakPolarHBondContact O-CD1 3.32Å
619	S	42.7	Very low	42.4	Very low	31 Å²	31	92.7 Å²	92.7	22%	0.217	49%	0.491	C	S	.	.	H	α-helix	trans	-69.6	-31.6	178.2	59.7	0	0	0	0	112.8	E314 L615 Q616 D621 L622	E314-S619 WeakPolarHBondContact OE1-CB 3.46Å; E314-S619 PolarHBondContact OE1-OG 3.03Å; L615-S619 PolarHBondContact O-N 3.03Å; Q616-S619 PolarHBondContact O-OG 3.46Å; Q616-S619 VanDerWaalsContact O-OG 3.1Å; S619-D621 PolarHBondContact O-N 3.01Å; S619-L622 PolarHBondContact O-N 3.25Å
620	Q	43.3	Very low	42.6	Very low	138 Å²	138	92.2 Å²	92.2	65%	0.645	49%	0.489	S	S	*	.	H	α-helix	trans	-65.1	-37.8	177.5	-63.4	-173.2	-4.7	0	0	112.7	R618 L622 S623	R618-Q620 VanDerWaalsContact C-N 3.34Å; Q620-L622 PolarHBondContact O-N 3.18Å; Q620-S623 WeakPolarHBondContact O-CB 3.43Å; Q620-S623 PolarHBondContact O-N 3.08Å; Q620-S623 PolarHBondContact O-OG 3.32Å
621	D	45.6	Very low	42.5	Very low	111 Å²	111	94.3 Å²	94.3	59%	0.594	49%	0.492	S	S	*	.	H	α-helix	trans	-65.8	-21.1	180	-117.4	2.5	0	0	0	113.1	S619 S623 A624	S619-D621 PolarHBondContact O-N 3.01Å; D621-S623 VanDerWaalsContact C-N 3.27Å; D621-S623 PolarHBondContact O-N 3.4Å; D621-A624 PolarHBondContact O-N 3.05Å
622	L	42.8	Very low	42.6	Very low	57 Å²	57	94.2 Å²	94.2	30%	0.298	49%	0.491	S	S	.	.	H	α-helix	trans	-69.3	-24.1	177	-88.6	75.4	0	0	0	113	R310 R618 S619 Q620 A624 M625 Q626	R310-L622 VanDerWaalsContact CZ-CD2 3.47Å; R618-L622 VanDerWaalsContact O-CD1 3.23Å; R618-L622 WeakPolarHBondContact O-CD1 3.32Å; S619-L622 PolarHBondContact O-N 3.25Å; Q620-L622 PolarHBondContact O-N 3.18Å; L622-A624 VanDerWaalsContact C-N 3.32Å; L622-A624 PolarHBondContact O-N 2.99Å; L622-M625 HydrophobicContact CG-CE 4.39Å; L622-M625 WeakPolarHBondContact O-CB 3.37Å; L622-M625 PolarHBondContact O-N 3.38Å; L622-M625 VanDerWaalsContact O-N 3.13Å; L622-Q626 PolarHBondContact O-N 3.06Å
623	S	42.6	Very low	42.7	Very low	86 Å²	86	98.2 Å²	98.2	60%	0.601	51%	0.509	S	S	*	.	H	α-helix	trans	-60.5	-40.5	176.9	63.6	0	0	0	0	112.6	Q620 D621 M625 Q626	Q620-S623 WeakPolarHBondContact O-CB 3.43Å; Q620-S623 PolarHBondContact O-N 3.08Å; Q620-S623 PolarHBondContact O-OG 3.32Å; D621-S623 VanDerWaalsContact C-N 3.27Å; D621-S623 PolarHBondContact O-N 3.4Å; S623-M625 VanDerWaalsContact C-N 3.31Å; S623-M625 PolarHBondContact O-N 3.32Å; S623-Q626 WeakPolarHBondContact O-CB 3.5Å; S623-Q626 PolarHBondContact O-N 3.1Å
624	A	43	Very low	42.9	Very low	57 Å²	57	98 Å²	98	47%	0.471	51%	0.512	S	S	.	.	H	α-helix	trans	-72.1	-24.1	176.6	0	0	0	0	0	113.1	D621 L622 Q626 A628	D621-A624 PolarHBondContact O-N 3.05Å; L622-A624 VanDerWaalsContact C-N 3.32Å; L622-A624 PolarHBondContact O-N 2.99Å; A624-Q626 VanDerWaalsContact C-N 3.34Å; A624-A628 PolarHBondContact O-N 2.97Å
625	M	42	Very low	43	Very low	112 Å²	112	101.8 Å²	101.8	55%	0.552	52%	0.519	S	S	*	.	H	α-helix	trans	-71.7	-31.5	176.9	-152.3	-177.4	-57	0	0	111.7	L622 S623 A628 L629	L622-M625 HydrophobicContact CG-CE 4.39Å; L622-M625 WeakPolarHBondContact O-CB 3.37Å; L622-M625 PolarHBondContact O-N 3.38Å; L622-M625 VanDerWaalsContact O-N 3.13Å; S623-M625 VanDerWaalsContact C-N 3.31Å; S623-M625 PolarHBondContact O-N 3.32Å; M625-A628 PolarHBondContact O-N 3.26Å; M625-L629 PolarHBondContact O-N 3.34Å; M625-L629 VanDerWaalsContact O-N 3.13Å
626	Q	40.6	Very low	43.4	Very low	105 Å²	105	100.5 Å²	100.5	49%	0.491	52%	0.516	S	S	.	.	H	α-helix	trans	-65.3	-44.3	177.2	-155.9	111.8	7.4	0	0	111.9	L622 S623 A624 A628 L629 Q630	L622-Q626 PolarHBondContact O-N 3.06Å; S623-Q626 WeakPolarHBondContact O-CB 3.5Å; S623-Q626 PolarHBondContact O-N 3.1Å; A624-Q626 VanDerWaalsContact C-N 3.34Å; Q626-A628 VanDerWaalsContact C-N 3.33Å; Q626-A628 PolarHBondContact O-N 3.45Å; Q626-L629 PolarHBondContact O-N 3.02Å; Q626-Q630 PolarHBondContact O-N 3.18Å; Q626-Q630 VanDerWaalsContact O-N 3.12Å
627	E	44.2	Very low	43.6	Very low	155 Å²	155	100.2 Å²	100.2	72%	0.724	52%	0.524	S	S	*	.	H	α-helix	trans	-63.9	-37.4	174.4	-70.7	-164.9	125.7	0	0	112.4	Q630 N631	E627-Q630 PolarHBondContact O-N 2.76Å; E627-N631 WeakPolarHBondContact O-CB 3.31Å; E627-N631 PolarHBondContact O-N 3.16Å; E627-N631 VanDerWaalsContact O-N 3.08Å
628	A	44	Very low	43.7	Very low	59 Å²	59	98 Å²	98	49%	0.488	52%	0.518	S	S	.	.	H	α-helix	trans	-63.7	-41.4	178.3	0	0	0	0	0	112.1	A624 M625 Q626 N631 L632	A624-A628 PolarHBondContact O-N 2.97Å; M625-A628 PolarHBondContact O-N 3.26Å; Q626-A628 VanDerWaalsContact C-N 3.33Å; Q626-A628 PolarHBondContact O-N 3.45Å; A628-N631 PolarHBondContact O-N 3.32Å; A628-L632 PolarHBondContact O-N 3.23Å; A628-L632 VanDerWaalsContact O-N 3.12Å
629	L	42.7	Very low	43.6	Very low	103 Å²	103	94.8 Å²	94.8	54%	0.539	51%	0.512	S	S	.	.	H	α-helix	trans	-65.7	-44.1	174.9	-76.6	167	0	0	0	112	M625 Q626 N631 L632 E633	M625-L629 PolarHBondContact O-N 3.34Å; M625-L629 VanDerWaalsContact O-N 3.13Å; Q626-L629 PolarHBondContact O-N 3.02Å; L629-N631 VanDerWaalsContact C-N 3.26Å; L629-N631 PolarHBondContact O-N 2.71Å; L629-L632 WeakPolarHBondContact O-CA 3.34Å; L629-L632 WeakPolarHBondContact O-CB 3.33Å; L629-L632 PolarHBondContact O-N 2.81Å; L629-E633 PolarHBondContact O-N 2.76Å
630	Q	44.9	Very low	43.5	Very low	105 Å²	105	96.3 Å²	96.3	49%	0.491	52%	0.515	S	S	.	.	H	α-helix	trans	-61.7	-35.1	178.8	-161.8	65.9	82.3	0	0	112.4	Q626 E627 L632 E633 N634	Q626-Q630 PolarHBondContact O-N 3.18Å; Q626-Q630 VanDerWaalsContact O-N 3.12Å; E627-Q630 PolarHBondContact O-N 2.76Å; Q630-L632 VanDerWaalsContact C-N 3.35Å; Q630-E633 PolarHBondContact NE2-OE2 2.97Å; Q630-N634 PolarHBondContact O-N 3.38Å; Q630-N634 PolarHBondContact O-ND2 3.19Å
631	N	44.7	Very low	43.4	Very low	104 Å²	104	94.1 Å²	94.1	56%	0.556	51%	0.511	S	S	*	.	H	α-helix	trans	-71.9	-29	173.7	-161.4	-15.1	0	0	0	112.2	E627 A628 L629 R635	E627-N631 WeakPolarHBondContact O-CB 3.31Å; E627-N631 PolarHBondContact O-N 3.16Å; E627-N631 VanDerWaalsContact O-N 3.08Å; A628-N631 PolarHBondContact O-N 3.32Å; L629-N631 VanDerWaalsContact C-N 3.26Å; L629-N631 PolarHBondContact O-N 2.71Å; N631-R635 VanDerWaalsContact O-CG 3.32Å; N631-R635 WeakPolarHBondContact O-CG 3.43Å; N631-R635 PolarHBondContact O-N 3.17Å
632	L	43.9	Very low	43.1	Very low	98 Å²	98	97.4 Å²	97.4	51%	0.513	52%	0.516	S	S	.	.	H	α-helix	trans	-73.4	-43.8	175.6	-135.1	159.5	0	0	0	111.6	A628 L629 Q630 N634 R635 V636	A628-L632 PolarHBondContact O-N 3.23Å; A628-L632 VanDerWaalsContact O-N 3.12Å; L629-L632 WeakPolarHBondContact O-CA 3.34Å; L629-L632 WeakPolarHBondContact O-CB 3.33Å; L629-L632 PolarHBondContact O-N 2.81Å; Q630-L632 VanDerWaalsContact C-N 3.35Å; L632-N634 PolarHBondContact O-N 3.04Å; L632-R635 PolarHBondContact O-N 2.81Å; L632-V636 HydrophobicContact CD2-CG2 4.21Å; L632-V636 WeakPolarHBondContact O-CG2 3.3Å; L632-V636 PolarHBondContact O-N 2.98Å
633	E	43.4	Very low	43	Very low	118 Å²	118	99.8 Å²	99.8	55%	0.551	53%	0.528	S	S	*	.	H	α-helix	trans	-55.5	-49.1	171.2	-74	-164.8	109.3	0	0	111.9	L629 Q630 R635 V636 G637	L629-E633 PolarHBondContact O-N 2.76Å; Q630-E633 PolarHBondContact NE2-OE2 2.97Å; E633-R635 PolarHBondContact O-N 3.26Å; E633-V636 PolarHBondContact O-N 3.38Å; E633-G637 PolarHBondContact O-N 3.33Å
634	N	46.7	Very low	42.8	Very low	110 Å²	110	100.9 Å²	100.9	59%	0.588	53%	0.527	S	S	*	.	H	α-helix	trans	-59.1	-36.1	178.4	-77.9	-41.9	0	0	0	112.3	Q630 L632 S638	Q630-N634 PolarHBondContact O-N 3.38Å; Q630-N634 PolarHBondContact O-ND2 3.19Å; L632-N634 PolarHBondContact O-N 3.04Å; N634-S638 WeakPolarHBondContact O-CB 3.43Å; N634-S638 PolarHBondContact O-N 2.81Å; N634-S638 VanDerWaalsContact O-N 3.08Å
635	R	44.8	Very low	42.7	Very low	166 Å²	166	102.5 Å²	102.5	63%	0.626	54%	0.535	S	S	*	.	H	α-helix	trans	-72.3	-36.4	174.2	-74.2	172.1	60.7	-172.4	-3.8	112.8	N631 L632 E633 S638 I639	N631-R635 VanDerWaalsContact O-CG 3.32Å; N631-R635 WeakPolarHBondContact O-CG 3.43Å; N631-R635 PolarHBondContact O-N 3.17Å; L632-R635 PolarHBondContact O-N 2.81Å; E633-R635 PolarHBondContact O-N 3.26Å; R635-S638 PolarHBondContact O-N 3.45Å; R635-I639 VanDerWaalsContact O-CG1 3.29Å; R635-I639 WeakPolarHBondContact O-CG1 3.23Å; R635-I639 PolarHBondContact O-N 3.02Å; R635-I639 VanDerWaalsContact O-N 3.1Å
636	V	48.3	Very low	42.7	Very low	75 Å²	75	105.2 Å²	105.2	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-65.4	-43.4	173.4	172.2	0	0	0	0	110.6	L632 E633 S638 I639 Q640	L632-V636 HydrophobicContact CD2-CG2 4.21Å; L632-V636 WeakPolarHBondContact O-CG2 3.3Å; L632-V636 PolarHBondContact O-N 2.98Å; E633-V636 PolarHBondContact O-N 3.38Å; V636-S638 VanDerWaalsContact C-N 3.31Å; V636-S638 PolarHBondContact O-N 3Å; V636-I639 PolarHBondContact O-N 2.89Å; V636-Q640 PolarHBondContact O-N 2.81Å
637	G	43.4	Very low	42.7	Very low	37 Å²	37	103.7 Å²	103.7	38%	0.381	56%	0.559	S	S	.	*	H	α-helix	trans	-59.6	-38.1	173.3	0	0	0	0	0	113.5	E633 I639 T641	E633-G637 PolarHBondContact O-N 3.33Å; G637-I639 VanDerWaalsContact C-N 3.29Å; G637-I639 PolarHBondContact O-N 3.48Å; G637-T641 WeakPolarHBondContact O-CG2 3.48Å; G637-T641 PolarHBondContact O-N 3.21Å; G637-T641 VanDerWaalsContact O-N 3.1Å; G637-T641 PolarHBondContact O-OG1 2.84Å
638	S	39.8	Very low	42.5	Very low	67 Å²	67	97.7 Å²	97.7	47%	0.469	54%	0.539	S	S	.	.	H	α-helix	trans	-69	-21.1	173.1	-175.2	0	0	0	0	114.2	N634 R635 V636 T641 R642	N634-S638 WeakPolarHBondContact O-CB 3.43Å; N634-S638 PolarHBondContact O-N 2.81Å; N634-S638 VanDerWaalsContact O-N 3.08Å; R635-S638 PolarHBondContact O-N 3.45Å; V636-S638 VanDerWaalsContact C-N 3.31Å; V636-S638 PolarHBondContact O-N 3Å; S638-T641 PolarHBondContact O-OG1 2.96Å; S638-R642 WeakPolarHBondContact O-CD 3.29Å; S638-R642 VanDerWaalsContact O-CG 3.3Å; S638-R642 WeakPolarHBondContact O-CG 3.42Å
639	I	42.4	Very low	42.3	Very low	97 Å²	97	97.6 Å²	97.6	50%	0.497	54%	0.544	S	S	.	.	H	α-helix	trans	-88.7	-41.7	175.2	-68.3	166.2	0	0	0	110.3	R635 V636 G637 R642 L643	R635-I639 VanDerWaalsContact O-CG1 3.29Å; R635-I639 WeakPolarHBondContact O-CG1 3.23Å; R635-I639 PolarHBondContact O-N 3.02Å; R635-I639 VanDerWaalsContact O-N 3.1Å; V636-I639 PolarHBondContact O-N 2.89Å; G637-I639 VanDerWaalsContact C-N 3.29Å; G637-I639 PolarHBondContact O-N 3.48Å; I639-R642 PolarHBondContact O-N 3.47Å; I639-R642 VanDerWaalsContact O-N 3.08Å; I639-L643 HydrophobicContact CG2-CD1 4.02Å; I639-L643 PolarHBondContact O-N 3.12Å
640	Q	39.9	Very low	42.1	Very low	63 Å²	63	97.6 Å²	97.6	29%	0.294	55%	0.551	S	S	.	*	H	α-helix	trans	-56.3	-52.1	175.2	-170.9	66	50.7	0	0	111	V636 R642 L643 D644	V636-Q640 PolarHBondContact O-N 2.81Å; Q640-R642 PolarHBondContact O-N 3.01Å; Q640-R642 VanDerWaalsContact O-N 3.08Å; Q640-L643 PolarHBondContact O-N 3.07Å; Q640-D644 PolarHBondContact NE2-OD1 3.5Å; Q640-D644 PolarHBondContact NE2-OD2 3.05Å; Q640-D644 VanDerWaalsContact O-CG 3.29Å; Q640-D644 PolarHBondContact O-N 3.25Å
641	T	41.5	Very low	41.9	Very low	91 Å²	91	96.3 Å²	96.3	56%	0.558	55%	0.553	S	S	*	*	H	α-helix	trans	-61.3	-19.7	176.6	47.2	0	0	0	0	114.5	G637 S638 S645	G637-T641 WeakPolarHBondContact O-CG2 3.48Å; G637-T641 PolarHBondContact O-N 3.21Å; G637-T641 VanDerWaalsContact O-N 3.1Å; G637-T641 PolarHBondContact O-OG1 2.84Å; S638-T641 PolarHBondContact O-OG1 2.96Å; T641-S645 PolarHBondContact O-OG 3.45Å
642	R	39.8	Very low	41.9	Very low	181 Å²	181	101 Å²	101	68%	0.683	56%	0.564	S	S	*	*	H	α-helix	trans	-89.8	-25	173.3	-73.4	-178.4	62.8	-154.8	-6.4	113.9	S638 I639 Q640 S645	S638-R642 WeakPolarHBondContact O-CD 3.29Å; S638-R642 VanDerWaalsContact O-CG 3.3Å; S638-R642 WeakPolarHBondContact O-CG 3.42Å; I639-R642 PolarHBondContact O-N 3.47Å; I639-R642 VanDerWaalsContact O-N 3.08Å; Q640-R642 PolarHBondContact O-N 3.01Å; Q640-R642 VanDerWaalsContact O-N 3.08Å; R642-S645 WeakPolarHBondContact CA-OG 3.38Å; R642-S645 PolarHBondContact O-OG 3.29Å
643	L	41.1	Very low	42.1	Very low	107 Å²	107	101.5 Å²	101.5	56%	0.56	57%	0.57	S	S	*	*	H	α-helix	trans	-77.2	-41.2	171.1	-76.1	162.6	0	0	0	111	I639 Q640 S645 E646	I639-L643 HydrophobicContact CG2-CD1 4.02Å; I639-L643 PolarHBondContact O-N 3.12Å; Q640-L643 PolarHBondContact O-N 3.07Å; L643-S645 PolarHBondContact O-N 2.98Å; L643-E646 PolarHBondContact O-N 3.18Å; L643-E646 VanDerWaalsContact O-N 3.1Å
644	D	37.4	Very low	41.8	Very low	108 Å²	108	99.9 Å²	99.9	58%	0.578	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-65.6	-19.3	177.9	-61.5	-33.5	0	0	0	112.6	Q640	Q640-D644 PolarHBondContact NE2-OD1 3.5Å; Q640-D644 PolarHBondContact NE2-OD2 3.05Å; Q640-D644 VanDerWaalsContact O-CG 3.29Å; Q640-D644 PolarHBondContact O-N 3.25Å
645	S	41.7	Very low	41.7	Very low	92 Å²	92	97.7 Å²	97.7	64%	0.643	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-91.8	-5.5	174.7	40.4	0	0	0	0	115.1	T641 R642 L643	T641-S645 PolarHBondContact O-OG 3.45Å; R642-S645 WeakPolarHBondContact CA-OG 3.38Å; R642-S645 PolarHBondContact O-OG 3.29Å; L643-S645 PolarHBondContact O-N 2.98Å
646	E	41.1	Very low	41.9	Very low	168 Å²	168	92.9 Å²	92.9	79%	0.785	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-105.2	25	169.1	-68.1	-163.1	141.8	0	0	112.8	L643 G648	L643-E646 PolarHBondContact O-N 3.18Å; L643-E646 VanDerWaalsContact O-N 3.1Å; E646-G648 VanDerWaalsContact C-N 3.25Å; E646-G648 PolarHBondContact O-N 3.38Å
647	G	40.7	Very low	41.8	Very low	74 Å²	74	95 Å²	95	76%	0.763	56%	0.563	S	S	*	*			trans	-66.7	63.9	179.4	0	0	0	0	0	115.7
648	G	39.7	Very low	41.7	Very low	29 Å²	29	97.9 Å²	97.9	30%	0.299	57%	0.566	S	S	.	*			trans	-138.3	15.4	-172.9	0	0	0	0	0	116.5	E646	E646-G648 VanDerWaalsContact C-N 3.25Å; E646-G648 PolarHBondContact O-N 3.38Å
649	G	40.8	Very low	42	Very low	57 Å²	57	98.6 Å²	98.6	59%	0.588	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-65.5	-175	0	0	0	0	0	114.8	S651	G649-S651 PolarHBondContact O-N 3.46Å
650	C	37.8	Very low	42.4	Very low	103 Å²	103	98.9 Å²	98.9	70%	0.696	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-28.5	-168.8	-58.5	0	0	0	0	114.5
651	S	41.6	Very low	42.8	Very low	77 Å²	77	99 Å²	99	54%	0.538	57%	0.572	S	S	.	*	H	α-helix	trans	-66.1	-38.1	178.6	49.1	0	0	0	0	112.2	G649 V653 C654 S655	G649-S651 PolarHBondContact O-N 3.46Å; S651-V653 VanDerWaalsContact C-N 3.26Å; S651-V653 PolarHBondContact O-N 3.31Å; S651-C654 PolarHBondContact O-N 3.47Å; S651-S655 PolarHBondContact O-OG 2.92Å
652	R	45.2	Very low	43	Very low	204 Å²	204	100.6 Å²	100.6	77%	0.77	57%	0.568	S	S	*	*	H	α-helix	trans	-67.9	-16	-176.9	-83.2	-177.9	153.1	-174.8	-6	115.5	P656	R652-P656 WeakPolarHBondContact O-CD 3.49Å; R652-P656 WeakPolarHBondContact O-CG 3.42Å
653	V	47.1	Very low	43.4	Very low	108 Å²	108	94.6 Å²	94.6	66%	0.655	55%	0.554	S	S	*	*	H	α-helix	trans	-94.6	-30.4	-179.1	-175.3	0	0	0	0	112	S651	S651-V653 VanDerWaalsContact C-N 3.26Å; S651-V653 PolarHBondContact O-N 3.31Å
654	C	37.3	Very low	43.7	Very low	84 Å²	84	94.6 Å²	94.6	57%	0.568	55%	0.554	S	S	*	*	H	α-helix	trans	-79.5	-30.7	-179.6	-65.5	0	0	0	0	113.6	S651 Q658	S651-C654 PolarHBondContact O-N 3.47Å; C654-Q658 WeakPolarHBondContact O-CB 3.48Å; C654-Q658 PolarHBondContact O-N 3.02Å
655	S	44.1	Very low	44.2	Very low	64 Å²	64	94.9 Å²	94.9	45%	0.448	55%	0.547	S	S	.	.	H	α-helix	trans	-64.5	-51.3	-180	-46.3	0	0	0	0	113.4	S651 L657 Q658 D659	S651-S655 PolarHBondContact O-OG 2.92Å; S655-L657 VanDerWaalsContact C-N 3.34Å; S655-L657 PolarHBondContact O-N 3.38Å; S655-Q658 PolarHBondContact O-N 3.18Å; S655-Q658 VanDerWaalsContact O-N 3.11Å; S655-D659 PolarHBondContact O-N 3Å
656	P	50.2	Low	44.7	Very low	65 Å²	65	93.4 Å²	93.4	42%	0.422	53%	0.532	S	S	.	.	H	α-helix	trans	-59.5	-44.3	-178.6	-22.6	34.4	0	0	0	112.1	R652 Q658 D659 D660	R652-P656 WeakPolarHBondContact O-CD 3.49Å; R652-P656 WeakPolarHBondContact O-CG 3.42Å; P656-Q658 VanDerWaalsContact C-N 3.27Å; P656-Q658 PolarHBondContact O-N 3.48Å; P656-D659 PolarHBondContact O-N 3.05Å; P656-D659 VanDerWaalsContact O-N 3.09Å; P656-D660 WeakPolarHBondContact O-CB 3.43Å; P656-D660 VanDerWaalsContact O-CG 3.29Å; P656-D660 PolarHBondContact O-N 2.89Å
657	L	44.4	Very low	45.2	Very low	118 Å²	118	90.6 Å²	90.6	62%	0.618	52%	0.519	S	S	*	.	H	α-helix	trans	-62.8	-33.1	179.1	-167.7	69.1	0	0	0	112.5	S655 V661	S655-L657 VanDerWaalsContact C-N 3.34Å; S655-L657 PolarHBondContact O-N 3.38Å; L657-V661 VanDerWaalsContact O-CG2 3.28Å; L657-V661 WeakPolarHBondContact O-CG2 3.48Å; L657-V661 PolarHBondContact O-N 3.26Å
658	Q	42.2	Very low	45.8	Very low	98 Å²	98	91.6 Å²	91.6	46%	0.458	51%	0.51	S	S	.	.	H	α-helix	trans	-73.3	-33.2	175.7	-165.3	176.7	49.6	0	0	112.3	C654 S655 P656 R662	C654-Q658 WeakPolarHBondContact O-CB 3.48Å; C654-Q658 PolarHBondContact O-N 3.02Å; S655-Q658 PolarHBondContact O-N 3.18Å; S655-Q658 VanDerWaalsContact O-N 3.11Å; P656-Q658 VanDerWaalsContact C-N 3.27Å; P656-Q658 PolarHBondContact O-N 3.48Å; Q658-R662 VanDerWaalsContact CD-NH2 3.33Å; Q658-R662 WeakPolarHBondContact O-CG 3.4Å; Q658-R662 PolarHBondContact O-N 3.26Å; Q658-R662 VanDerWaalsContact OE1-NH2 3.16Å
659	D	46.8	Very low	46.2	Very low	82 Å²	82	95.8 Å²	95.8	44%	0.439	52%	0.517	S	S	.	.	H	α-helix	trans	-77.8	-35.8	175.3	-72.9	-42.2	0	0	0	112.6	S655 P656 V661 R662 S663	S655-D659 PolarHBondContact O-N 3Å; P656-D659 PolarHBondContact O-N 3.05Å; P656-D659 VanDerWaalsContact O-N 3.09Å; D659-V661 VanDerWaalsContact C-N 3.35Å; D659-V661 PolarHBondContact O-N 3.42Å; D659-R662 WeakPolarHBondContact O-CB 3.45Å; D659-R662 PolarHBondContact O-N 2.92Å; D659-R662 IonicContact OD1-CZ 3.26Å; D659-R662 IonicContact OD1-NH1 2.95Å; D659-R662 PolarHBondContact OD1-NH1 2.9Å; D659-S663 WeakPolarHBondContact O-CB 3.47Å; D659-S663 PolarHBondContact O-N 2.95Å
660	D	49.7	Very low	46.4	Very low	103 Å²	103	98.6 Å²	98.6	55%	0.551	51%	0.51	S	S	*	.	H	α-helix	trans	-60.8	-42.6	171.9	-71.8	-29.4	0	0	0	111.3	P656 R662 S663 L664	P656-D660 WeakPolarHBondContact O-CB 3.43Å; P656-D660 VanDerWaalsContact O-CG 3.29Å; P656-D660 PolarHBondContact O-N 2.89Å; D660-R662 VanDerWaalsContact C-N 3.35Å; D660-R662 PolarHBondContact O-N 3.47Å; D660-S663 PolarHBondContact O-N 3.1Å; D660-L664 WeakPolarHBondContact O-CB 3.39Å; D660-L664 PolarHBondContact O-N 3Å
661	V	49.2	Very low	46.6	Very low	66 Å²	66	97.3 Å²	97.3	40%	0.4	50%	0.501	S	S	.	.	H	α-helix	trans	-66.8	-33.7	175.7	169.5	0	0	0	0	112	L657 D659 R665	L657-V661 VanDerWaalsContact O-CG2 3.28Å; L657-V661 WeakPolarHBondContact O-CG2 3.48Å; L657-V661 PolarHBondContact O-N 3.26Å; D659-V661 VanDerWaalsContact C-N 3.35Å; D659-V661 PolarHBondContact O-N 3.42Å; V661-R665 WeakPolarHBondContact O-CB 3.38Å; V661-R665 PolarHBondContact O-N 3.36Å
662	R	46.1	Very low	46.6	Very low	124 Å²	124	97.8 Å²	97.8	47%	0.468	50%	0.504	S	S	.	.	H	α-helix	trans	-66.9	-45.7	170.6	-70.4	168	-171	153.5	4.7	111.3	Q658 D659 D660 L664 R665 D666	Q658-R662 VanDerWaalsContact CD-NH2 3.33Å; Q658-R662 WeakPolarHBondContact O-CG 3.4Å; Q658-R662 PolarHBondContact O-N 3.26Å; Q658-R662 VanDerWaalsContact OE1-NH2 3.16Å; D659-R662 WeakPolarHBondContact O-CB 3.45Å; D659-R662 PolarHBondContact O-N 2.92Å; D659-R662 IonicContact OD1-CZ 3.26Å; D659-R662 IonicContact OD1-NH1 2.95Å; D659-R662 PolarHBondContact OD1-NH1 2.9Å; D660-R662 VanDerWaalsContact C-N 3.35Å; D660-R662 PolarHBondContact O-N 3.47Å; R662-L664 PolarHBondContact O-N 2.91Å; R662-R665 WeakPolarHBondContact O-CB 3.22Å; R662-R665 PolarHBondContact O-N 2.96Å; R662-D666 PolarHBondContact O-N 3Å
663	S	47.4	Very low	46.5	Very low	56 Å²	56	93.1 Å²	93.1	39%	0.392	49%	0.491	S	S	.	.	H	α-helix	trans	-58.9	-47.8	178.3	-167	0	0	0	0	111.2	D659 D660 R665 D666 E667	D659-S663 WeakPolarHBondContact O-CB 3.47Å; D659-S663 PolarHBondContact O-N 2.95Å; D660-S663 PolarHBondContact O-N 3.1Å; S663-R665 VanDerWaalsContact C-N 3.33Å; S663-R665 PolarHBondContact O-N 2.97Å; S663-D666 CarbonylContact O-C 3.48Å; S663-D666 PolarHBondContact O-N 3.09Å; S663-D666 VanDerWaalsContact O-N 3.14Å; S663-E667 WeakPolarHBondContact O-CG 3.29Å; S663-E667 PolarHBondContact O-N 3.27Å
664	L	48	Very low	46.3	Very low	107 Å²	107	98.2 Å²	98.2	56%	0.56	50%	0.499	S	S	*	.	H	α-helix	trans	-62	-38.4	176.4	-171.6	67.6	0	0	0	112.2	D660 R662 E667 V668	D660-L664 WeakPolarHBondContact O-CB 3.39Å; D660-L664 PolarHBondContact O-N 3Å; R662-L664 PolarHBondContact O-N 2.91Å; L664-E667 PolarHBondContact O-N 2.84Å; L664-V668 WeakPolarHBondContact O-CB 3.26Å; L664-V668 VanDerWaalsContact O-CG2 3.31Å; L664-V668 WeakPolarHBondContact O-CG2 3.44Å; L664-V668 PolarHBondContact O-N 3.35Å
665	R	47.4	Very low	46.4	Very low	114 Å²	114	99.5 Å²	99.5	43%	0.43	51%	0.507	S	S	.	.	H	α-helix	trans	-63.4	-41.2	173.6	175.1	169.5	-79.2	151.6	-1.6	111.8	E267 V661 R662 S663 R669	E267-R665 IonicContact OE1-CZ 2.88Å; E267-R665 IonicContact OE1-NH1 3.6Å; E267-R665 PolarHBondContact OE1-NH1 2.96Å; E267-R665 IonicContact OE1-NH2 3.35Å; E267-R665 PolarHBondContact OE1-NH2 3.02Å; E267-R665 IonicContact OE2-CZ 2.72Å; E267-R665 IonicContact OE2-NH1 3.02Å; E267-R665 PolarHBondContact OE2-NH1 2.92Å; E267-R665 IonicContact OE2-NH2 3.42Å; E267-R665 PolarHBondContact OE2-NH2 2.99Å; V661-R665 WeakPolarHBondContact O-CB 3.38Å; V661-R665 PolarHBondContact O-N 3.36Å; R662-R665 WeakPolarHBondContact O-CB 3.22Å; R662-R665 PolarHBondContact O-N 2.96Å; S663-R665 VanDerWaalsContact C-N 3.33Å; S663-R665 PolarHBondContact O-N 2.97Å; R665-R669 VanDerWaalsContact O-CB 3.25Å; R665-R669 WeakPolarHBondContact O-CB 3.38Å; R665-R669 PolarHBondContact O-N 2.83Å
666	D	52.8	Low	46.3	Very low	60 Å²	60	99.4 Å²	99.4	32%	0.321	52%	0.516	S	S	.	.	H	α-helix	trans	-73.9	-28.5	175.3	-88	-31.5	0	0	0	113.6	R662 S663 R669 R670	R662-D666 PolarHBondContact O-N 3Å; S663-D666 CarbonylContact O-C 3.48Å; S663-D666 PolarHBondContact O-N 3.09Å; S663-D666 VanDerWaalsContact O-N 3.14Å; D666-R669 IonicContact OD1-CZ 2.81Å; D666-R669 VanDerWaalsContact OD1-CZ 3.28Å; D666-R669 IonicContact OD1-NE 3.81Å; D666-R669 PolarHBondContact OD1-NE 3.16Å; D666-R669 IonicContact OD1-NH2 2.67Å; D666-R669 PolarHBondContact OD1-NH2 2.75Å; D666-R670 VanDerWaalsContact O-CB 3.32Å; D666-R670 WeakPolarHBondContact O-CB 3.45Å; D666-R670 VanDerWaalsContact O-CG 3.25Å; D666-R670 WeakPolarHBondContact O-CG 3.45Å; D666-R670 PolarHBondContact O-N 3.14Å; D666-R670 PolarHBondContact O-NE 3.02Å
667	E	51	Low	45.8	Very low	109 Å²	109	102.1 Å²	102.1	51%	0.509	53%	0.532	S	S	.	.	H	α-helix	trans	-71.6	-44.5	171.1	-72.8	-169.3	159.5	0	0	112.5	S663 L664 R669 R670 C671	S663-E667 WeakPolarHBondContact O-CG 3.29Å; S663-E667 PolarHBondContact O-N 3.27Å; L664-E667 PolarHBondContact O-N 2.84Å; E667-R669 VanDerWaalsContact C-N 3.28Å; E667-R669 PolarHBondContact O-N 2.66Å; E667-R670 VanDerWaalsContact CG-NH2 3.32Å; E667-R670 PolarHBondContact O-N 2.81Å; E667-C671 VanDerWaalsContact O-CB 3.32Å; E667-C671 WeakPolarHBondContact O-CB 3.37Å; E667-C671 PolarHBondContact O-N 2.88Å
668	V	52.6	Low	45.3	Very low	96 Å²	96	100.2 Å²	100.2	58%	0.582	54%	0.541	S	S	*	.	H	α-helix	trans	-61.1	-39.8	172.7	170.4	0	0	0	0	110.6	L664 C671 S672	L664-V668 WeakPolarHBondContact O-CB 3.26Å; L664-V668 VanDerWaalsContact O-CG2 3.31Å; L664-V668 WeakPolarHBondContact O-CG2 3.44Å; L664-V668 PolarHBondContact O-N 3.35Å; V668-C671 PolarHBondContact O-N 3.26Å; V668-S672 WeakPolarHBondContact O-CB 3.42Å; V668-S672 PolarHBondContact O-N 3.37Å
669	R	47.6	Very low	44.8	Very low	116 Å²	116	102.4 Å²	102.4	44%	0.438	56%	0.561	S	S	.	*	H	α-helix	trans	-64.3	-48.8	174.3	-174.3	175.2	63.3	81.9	-5.3	112.2	R665 D666 E667 C671 S672 E673	R665-R669 VanDerWaalsContact O-CB 3.25Å; R665-R669 WeakPolarHBondContact O-CB 3.38Å; R665-R669 PolarHBondContact O-N 2.83Å; D666-R669 IonicContact OD1-CZ 2.81Å; D666-R669 VanDerWaalsContact OD1-CZ 3.28Å; D666-R669 IonicContact OD1-NE 3.81Å; D666-R669 PolarHBondContact OD1-NE 3.16Å; D666-R669 IonicContact OD1-NH2 2.67Å; D666-R669 PolarHBondContact OD1-NH2 2.75Å; E667-R669 VanDerWaalsContact C-N 3.28Å; E667-R669 PolarHBondContact O-N 2.66Å; R669-C671 PolarHBondContact O-N 2.88Å; R669-S672 WeakPolarHBondContact O-CB 3.43Å; R669-S672 PolarHBondContact O-N 3.46Å; R669-E673 VanDerWaalsContact CG-OE1 3.27Å; R669-E673 WeakPolarHBondContact CG-OE1 3.47Å; R669-E673 IonicContact CZ-OE1 2.92Å; R669-E673 IonicContact NH1-OE1 2.88Å; R669-E673 PolarHBondContact NH1-OE1 3.14Å; R669-E673 IonicContact NH1-OE2 2.76Å; R669-E673 PolarHBondContact NH1-OE2 3.48Å; R669-E673 WeakPolarHBondContact O-CB 3.46Å; R669-E673 WeakPolarHBondContact O-CG 3.33Å; R669-E673 PolarHBondContact O-N 3Å
670	R	46.7	Very low	44.1	Very low	117 Å²	117	102.3 Å²	102.3	44%	0.442	58%	0.579	S	S	.	*	H	α-helix	trans	-59.9	-31.9	174	-78.4	-179.7	-70.3	-116.2	1	113	D666 E667 R674	D666-R670 VanDerWaalsContact O-CB 3.32Å; D666-R670 WeakPolarHBondContact O-CB 3.45Å; D666-R670 VanDerWaalsContact O-CG 3.25Å; D666-R670 WeakPolarHBondContact O-CG 3.45Å; D666-R670 PolarHBondContact O-N 3.14Å; D666-R670 PolarHBondContact O-NE 3.02Å; E667-R670 VanDerWaalsContact CG-NH2 3.32Å; E667-R670 PolarHBondContact O-N 2.81Å; R670-R674 WeakPolarHBondContact O-CB 3.41Å; R670-R674 WeakPolarHBondContact O-CG 3.46Å; R670-R674 PolarHBondContact O-N 2.72Å; R670-R674 VanDerWaalsContact O-N 3.12Å
671	C	41.1	Very low	43.1	Very low	76 Å²	76	104.6 Å²	104.6	51%	0.514	60%	0.597	S	S	.	*	H	α-helix	trans	-72	-44.4	175.2	-163.9	0	0	0	0	111.3	E667 V668 R669 R674 C675	E667-C671 VanDerWaalsContact O-CB 3.32Å; E667-C671 WeakPolarHBondContact O-CB 3.37Å; E667-C671 PolarHBondContact O-N 2.88Å; V668-C671 PolarHBondContact O-N 3.26Å; R669-C671 PolarHBondContact O-N 2.88Å; C671-R674 PolarHBondContact O-N 3.02Å; C671-C675 PolarHBondContact O-N 3.46Å; C671-C675 PolarHBondContact O-SG 3.3Å
672	S	42.6	Very low	42.4	Very low	87 Å²	87	105.5 Å²	105.5	61%	0.608	62%	0.619	S	S	*	*	H	α-helix	trans	-59.3	-47.7	173.6	-166.9	0	0	0	0	112	V668 R669 R674 C675 G676	V668-S672 WeakPolarHBondContact O-CB 3.42Å; V668-S672 PolarHBondContact O-N 3.37Å; R669-S672 WeakPolarHBondContact O-CB 3.43Å; R669-S672 PolarHBondContact O-N 3.46Å; S672-R674 VanDerWaalsContact C-N 3.26Å; S672-R674 PolarHBondContact O-N 2.87Å; S672-C675 PolarHBondContact O-N 2.67Å; S672-G676 PolarHBondContact O-N 2.83Å
673	E	42.3	Very low	41.5	Very low	106 Å²	106	105.4 Å²	105.4	50%	0.495	64%	0.638	S	S	.	*	H	α-helix	trans	-59.7	-34.4	175.8	-72	166.5	-175.5	0	0	112.3	R669	R669-E673 VanDerWaalsContact CG-OE1 3.27Å; R669-E673 WeakPolarHBondContact CG-OE1 3.47Å; R669-E673 IonicContact CZ-OE1 2.92Å; R669-E673 IonicContact NH1-OE1 2.88Å; R669-E673 PolarHBondContact NH1-OE1 3.14Å; R669-E673 IonicContact NH1-OE2 2.76Å; R669-E673 PolarHBondContact NH1-OE2 3.48Å; R669-E673 WeakPolarHBondContact O-CB 3.46Å; R669-E673 WeakPolarHBondContact O-CG 3.33Å; R669-E673 PolarHBondContact O-N 3Å
674	R	42.2	Very low	40.5	Very low	215 Å²	215	111.9 Å²	111.9	81%	0.811	66%	0.659	S	S	*	*	H	α-helix	trans	-76.9	-30.9	175.2	-81.9	-178.9	168.1	-165.7	-3.5	114.4	R670 C671 S672 G676	R670-R674 WeakPolarHBondContact O-CB 3.41Å; R670-R674 WeakPolarHBondContact O-CG 3.46Å; R670-R674 PolarHBondContact O-N 2.72Å; R670-R674 VanDerWaalsContact O-N 3.12Å; C671-R674 PolarHBondContact O-N 3.02Å; S672-R674 VanDerWaalsContact C-N 3.26Å; S672-R674 PolarHBondContact O-N 2.87Å; R674-G676 VanDerWaalsContact C-N 3.32Å
675	C	40.1	Very low	39.7	Very low	110 Å²	110	113.7 Å²	113.7	74%	0.743	68%	0.675	S	S	*	*	H	α-helix	trans	-80.3	-12.1	177.7	-70.5	0	0	0	0	113.5	C671 S672	C671-C675 PolarHBondContact O-N 3.46Å; C671-C675 PolarHBondContact O-SG 3.3Å; S672-C675 PolarHBondContact O-N 2.67Å
676	G	42.6	Very low	39	Very low	62 Å²	62	112.9 Å²	112.9	64%	0.639	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-8.7	-175.4	0	0	0	0	0	117.2	S672 R674	S672-G676 PolarHBondContact O-N 2.83Å; R674-G676 VanDerWaalsContact C-N 3.32Å
677	T	39.8	Very low	38	Very low	123 Å²	123	113.5 Å²	113.5	76%	0.755	71%	0.713	S	S	*	*			trans	-130.4	75.2	-170.1	44.3	0	0	0	0	113.6
678	G	32.9	Very low	37.2	Very low	78 Å²	78	116.4 Å²	116.4	80%	0.804	73%	0.732	S	S	*	*			trans	-109.8	8.4	-175.1	0	0	0	0	0	117.3
679	T	31.9	Very low	36.2	Very low	144 Å²	144	114.9 Å²	114.9	88%	0.883	74%	0.736	S	S	*	*			trans	-129.3	113.6	179.9	52.2	0	0	0	0	111.7
680	G	32.2	Very low	35.5	Very low	79 Å²	79	114.7 Å²	114.7	81%	0.814	75%	0.752	S	S	*	*			trans	-112.3	120.2	-175.7	0	0	0	0	0	114.5
681	T	29.4	Very low	35	Very low	152 Å²	152	115.6 Å²	115.6	93%	0.933	77%	0.771	S	S	*	*			trans	-139.9	134.2	145.2	35.2	0	0	0	0	107.2
682	G	34.3	Very low	34.5	Very low	84 Å²	84	115.6 Å²	115.6	87%	0.866	78%	0.784	S	S	*	*			trans	-105.2	179.3	-161.3	0	0	0	0	0	115.4
683	S	26.3	Very low	34.4	Very low	122 Å²	122	117.9 Å²	117.9	85%	0.853	79%	0.794	S	S	*	*			trans	-145	139.6	162.1	-172.8	0	0	0	0	110.2
684	F	27.8	Very low	34.7	Very low	192 Å²	192	118.7 Å²	118.7	84%	0.842	81%	0.808	S	S	*	*			trans	-100.7	140.6	172.8	-98	-95.8	0	0	0	109.7
685	T	30.5	Very low	34.3	Very low	146 Å²	146	113 Å²	113	90%	0.896	81%	0.807	S	S	*	*			trans	-131.1	147.8	137	51.5	0	0	0	0	108.6
686	A	33.2	Very low	34.2	Very low	97 Å²	97	112.8 Å²	112.8	80%	0.802	81%	0.813	S	S	*	*			trans	-145.7	152.3	-172.8	0	0	0	0	0	111.5
687	G	30.5	Very low	33.6	Very low	73 Å²	73	113.7 Å²	113.7	75%	0.753	82%	0.823	S	S	*	*			trans	163.9	143.1	168.2	0	0	0	0	0	113.3
688	N	33.8	Very low	33.3	Very low	170 Å²	170	111.3 Å²	111.3	91%	0.909	82%	0.822	S	S	*	*			cis	-161.5	152.4	-13.7	-159.7	3.1	0	0	0	111.8
689	G	32.1	Very low	33	Very low	63 Å²	63	118.6 Å²	118.6	65%	0.649	83%	0.833	S	S	*	*			trans	77.1	151.9	173	0	0	0	0	0	115.9
690	S	33.7	Very low	32.8	Very low	112 Å²	112	115.3 Å²	115.3	78%	0.783	83%	0.827	S	S	*	*			cis	-172.4	160.8	-6.9	47.6	0	0	0	0	109
691	T	35.3	Very low	33.7	Very low	136 Å²	136	118.1 Å²	118.1	83%	0.834	83%	0.831	S	S	*	*			cis	-166.7	137.7	-16.7	26.9	0	0	0	0	106.8
692	G	31.9	Very low	33.8	Very low	76 Å²	76	114.3 Å²	114.3	78%	0.784	82%	0.822	S	S	*	*			trans	-172.2	24.9	-173.3	0	0	0	0	0	121.5
693	V	40.2	Very low	33.7	Very low	136 Å²	136	117.8 Å²	117.8	82%	0.824	82%	0.82	S	S	*	*			trans	19.7	141.7	142.3	-178.2	0	0	0	0	120
694	P	49.1	Very low	33.9	Very low	122 Å²	122	118.8 Å²	118.8	79%	0.792	82%	0.816	S	S	*	*			cis	-124.3	-170.6	4.1	39.5	-20.9	0	0	0	113.4
695	A	33.4	Very low	34.1	Very low	95 Å²	95	114.1 Å²	114.1	79%	0.785	81%	0.813	S	S	*	*			cis	-150.5	171.6	15.2	0	0	0	0	0	114.6
696	A	36.8	Very low	34.1	Very low	106 Å²	106	116.4 Å²	116.4	88%	0.876	81%	0.813	S	S	*	*			trans	-31.5	156.7	-178.1	0	0	0	0	0	120.7
697	G	30.9	Very low	34	Very low	82 Å²	82	121.1 Å²	121.1	85%	0.845	82%	0.816	S	S	*	*			cis	129.4	152.1	6.1	0	0	0	0	0	112
698	G	32.1	Very low	34.8	Very low	72 Å²	72	122.6 Å²	122.6	74%	0.742	81%	0.812	S	S	*	*			cis	174.1	-172.2	-0.5	0	0	0	0	0	112.5
699	F	28.5	Very low	34.7	Very low	232 Å²	232	121.6 Å²	121.6	100%	1.018	81%	0.806	S	S	*	*			trans	75.4	137	173	-73.3	-86.3	0	0	0	122.2
700	G	27.6	Very low	34.6	Very low	74 Å²	74	125.8 Å²	125.8	76%	0.763	81%	0.813	S	S	*	*			trans	131.4	115.8	154.5	0	0	0	0	0	118.1
701	P	50.7	Low	34.5	Very low	138 Å²	138	124.1 Å²	124.1	90%	0.896	81%	0.814	S	S	*	*			trans	-126.8	168.3	-176.2	42	-30.3	0	0	0	117.2
702	G	30.2	Very low	34.3	Very low	73 Å²	73	126.2 Å²	126.2	75%	0.753	81%	0.814	S	S	*	*			trans	162.6	102.8	159.1	0	0	0	0	0	120.6
703	L	32	Very low	34.4	Very low	156 Å²	156	127.3 Å²	127.3	82%	0.817	81%	0.809	S	S	*	*			trans	41.7	121.4	137.2	-53.2	176.8	0	0	0	124.6
704	D	31.4	Very low	34.1	Very low	143 Å²	143	126.7 Å²	126.7	77%	0.765	81%	0.806	S	S	*	*				66.2	121.8	118	-56.8	-7.2	0	0	0	126.3
705	A	32.6	Very low	33.7	Very low	95 Å²	95	128.9 Å²	128.9	79%	0.785	81%	0.809	S	S	*	*				99.4	156	122.3	0	0	0	0	0	124.8
706	E	31.1	Very low	33.7	Very low	193 Å²	193	128.2 Å²	128.2	90%	0.902	81%	0.812	S	S	*	*			trans	89.9	152	158.9	-52.5	-135.7	113.3	0	0	122.6
707	K	30.1	Very low	33.7	Very low	197 Å²	197	127 Å²	127	86%	0.857	81%	0.809	S	S	*	*			trans	-116.3	-154.3	172.7	-54.8	176.2	173.7	175.7	0	106.5
708	P	47.6	Very low	34.1	Very low	103 Å²	103	127.6 Å²	127.6	67%	0.669	80%	0.8	S	S	*	*			cis	-137.6	172.7	-18.3	37.2	-17.4	0	0	0	116.8
709	L	31.8	Very low	34.3	Very low	149 Å²	149	133.8 Å²	133.8	78%	0.78	81%	0.807	S	S	*	*			trans	70.3	159.6	140.1	-79.8	167.4	0	0	0	124.6
710	D	30.1	Very low	35.4	Very low	152 Å²	152	127.4 Å²	127.4	81%	0.813	78%	0.784	S	S	*	*			trans	68.5	154.3	156.7	-62.5	-17.9	0	0	0	122.7
711	G	30.8	Very low	36.7	Very low	77 Å²	77	127.9 Å²	127.9	79%	0.794	78%	0.775	S	S	*	*			trans	142.7	36.6	154.6	0	0	0	0	0	122.2
712	H	31.6	Very low	36.9	Very low	179 Å²	179	126.7 Å²	126.7	83%	0.829	76%	0.761	S	S	*	*			trans	6	128	159.6	-99.7	-73.3	0	0	0	122.6
713	S	32.9	Very low	37.9	Very low	99 Å²	99	129 Å²	129	69%	0.692	75%	0.753	S	S	*	*				82.1	139.6	127.6	-76.9	0	0	0	0	124.7
714	V	33.8	Very low	39.1	Very low	123 Å²	123	127.7 Å²	127.7	75%	0.745	75%	0.745	S	S	*	*			trans	81.3	104.5	146.9	173.3	0	0	0	0	120.4
715	I	41.3	Very low	40.2	Very low	169 Å²	169	127.7 Å²	127.7	87%	0.867	74%	0.739	S	S	*	*			trans	39.7	109.8	136.4	-47.4	173.9	0	0	0	118.2
716	G	33.3	Very low	41.7	Very low	81 Å²	81	126.9 Å²	126.9	84%	0.835	72%	0.724	S	S	*	*			trans	167.1	73.2	157.8	0	0	0	0	0	119.2
717	G	37.8	Very low	42.9	Very low	79 Å²	79	122.9 Å²	122.9	81%	0.814	71%	0.708	S	S	*	*			trans	101	163.8	151.9	0	0	0	0	0	119.4
718	S	38.8	Very low	44.3	Very low	95 Å²	95	119.5 Å²	119.5	66%	0.664	70%	0.695	S	S	*	*			trans	57	90.5	176.4	-152.5	0	0	0	0	118.2	N720	S718-N720 VanDerWaalsContact C-N 3.35Å; S718-N720 PolarHBondContact O-N 3.4Å; S718-N720 PolarHBondContact OG-OD1 3.18Å
719	F	36.6	Very low	45.3	Very low	203 Å²	203	116.1 Å²	116.1	89%	0.89	68%	0.68	S	S	*	*			trans	-66.1	92.4	156.5	-75.3	-76.4	0	0	0	109.9
720	N	52.3	Low	47	Very low	98 Å²	98	114 Å²	114	52%	0.524	67%	0.665	S	S	.	*			trans	-69.7	134.2	176.7	-71.9	-20.6	0	0	0	110.6	S718 N722 Q723	S718-N720 VanDerWaalsContact C-N 3.35Å; S718-N720 PolarHBondContact O-N 3.4Å; S718-N720 PolarHBondContact OG-OD1 3.18Å; N720-N722 PolarHBondContact O-N 3.44Å; N720-Q723 PolarHBondContact O-N 3.46Å
721	S	54	Low	48.7	Very low	84 Å²	84	111.7 Å²	111.7	59%	0.587	65%	0.653	S	S	*	*	H	α-helix	trans	-57.1	-16.2	-175.7	55.8	0	0	0	0	115.1	K725	S721-K725 PolarHBondContact O-N 3.03Å
722	N	55.2	Low	50.4	Low	112 Å²	112	111 Å²	111	60%	0.599	64%	0.636	S	S	*	*	H	α-helix	trans	-66.4	-41.5	174.3	-63.6	-13	0	0	0	112.5	N720 L724 K725 T726	N720-N722 PolarHBondContact O-N 3.44Å; N722-L724 VanDerWaalsContact C-N 3.28Å; N722-L724 PolarHBondContact O-N 2.82Å; N722-K725 WeakPolarHBondContact O-CB 3.42Å; N722-K725 PolarHBondContact O-N 3.11Å; N722-K725 VanDerWaalsContact O-N 3.14Å; N722-T726 PolarHBondContact O-N 3.27Å; N722-T726 PolarHBondContact O-OG1 2.86Å; N722-T726 VanDerWaalsContact O-OG1 3.13Å
723	Q	52	Low	52	Low	123 Å²	123	107.8 Å²	107.8	58%	0.575	63%	0.625	S	S	*	*	H	α-helix	trans	-65.6	-33.5	178.1	-79.2	-172.3	-34.6	0	0	112.2	N720 K725 T726 L727	N720-Q723 PolarHBondContact O-N 3.46Å; Q723-K725 VanDerWaalsContact C-N 3.29Å; Q723-K725 PolarHBondContact O-N 3.18Å; Q723-T726 PolarHBondContact O-N 3.37Å; Q723-L727 PolarHBondContact O-N 2.66Å
724	L	55.5	Low	53.9	Low	127 Å²	127	107.3 Å²	107.3	67%	0.665	61%	0.614	S	S	*	*	H	α-helix	trans	-68.3	-31.5	176.8	-139.5	151.5	0	0	0	111.1	N722 Q728	N722-L724 VanDerWaalsContact C-N 3.28Å; N722-L724 PolarHBondContact O-N 2.82Å; L724-Q728 VanDerWaalsContact O-CB 3.25Å; L724-Q728 WeakPolarHBondContact O-CB 3.49Å; L724-Q728 PolarHBondContact O-N 3.18Å
725	K	56	Low	55.6	Low	144 Å²	144	106.7 Å²	106.7	63%	0.626	61%	0.605	S	S	*	*	H	α-helix	trans	-72.3	-38	168.8	-72.1	-179.2	175.9	-179.8	0	113.2	S721 N722 Q723 Q728 G729	S721-K725 PolarHBondContact O-N 3.03Å; N722-K725 WeakPolarHBondContact O-CB 3.42Å; N722-K725 PolarHBondContact O-N 3.11Å; N722-K725 VanDerWaalsContact O-N 3.14Å; Q723-K725 VanDerWaalsContact C-N 3.29Å; Q723-K725 PolarHBondContact O-N 3.18Å; K725-Q728 PolarHBondContact O-N 2.95Å; K725-G729 PolarHBondContact O-N 2.96Å
726	T	63	Low	56.8	Low	78 Å²	78	106.3 Å²	106.3	48%	0.479	60%	0.597	S	S	.	*	H	α-helix	trans	-61.5	-50.5	174.5	-50	0	0	0	0	110.6	N722 Q723 Q728 G729 E730	N722-T726 PolarHBondContact O-N 3.27Å; N722-T726 PolarHBondContact O-OG1 2.86Å; N722-T726 VanDerWaalsContact O-OG1 3.13Å; Q723-T726 PolarHBondContact O-N 3.37Å; T726-Q728 VanDerWaalsContact C-N 3.3Å; T726-Q728 PolarHBondContact O-N 3.14Å; T726-G729 WeakPolarHBondContact O-CA 3.31Å; T726-G729 PolarHBondContact O-N 2.88Å; T726-E730 WeakPolarHBondContact CG2-OE1 3.24Å; T726-E730 WeakPolarHBondContact O-CG 3.48Å; T726-E730 PolarHBondContact O-N 3.42Å
727	L	55.7	Low	58.8	Low	109 Å²	109	106.1 Å²	106.1	57%	0.571	58%	0.58	S	S	*	*	H	α-helix	trans	-61.6	-35.5	175.2	-73.7	168.1	0	0	0	112.5	Q723 G729 L731	Q723-L727 PolarHBondContact O-N 2.66Å; L727-G729 VanDerWaalsContact C-N 3.34Å; L727-L731 WeakPolarHBondContact O-CB 3.35Å; L727-L731 PolarHBondContact O-N 2.79Å
728	Q	61.1	Low	60.4	Low	125 Å²	125	109.1 Å²	109.1	58%	0.584	57%	0.571	S	S	*	*	H	α-helix	trans	-67	-34.6	173.4	-173.9	176.7	7.3	0	0	112.3	L724 K725 T726 S732	L724-Q728 VanDerWaalsContact O-CB 3.25Å; L724-Q728 WeakPolarHBondContact O-CB 3.49Å; L724-Q728 PolarHBondContact O-N 3.18Å; K725-Q728 PolarHBondContact O-N 2.95Å; T726-Q728 VanDerWaalsContact C-N 3.3Å; T726-Q728 PolarHBondContact O-N 3.14Å; Q728-S732 WeakPolarHBondContact O-CB 3.09Å; Q728-S732 PolarHBondContact O-N 3.2Å; Q728-S732 VanDerWaalsContact O-N 3.09Å; Q728-S732 PolarHBondContact O-OG 3.13Å
729	G	68.2	Low	61.9	Low	33 Å²	33	106 Å²	106	34%	0.34	55%	0.554	S	S	.	*	H	α-helix	trans	-67.6	-53.3	172.5	0	0	0	0	0	112.1	K725 T726 L727 L731 S732 D733	K725-G729 PolarHBondContact O-N 2.96Å; T726-G729 WeakPolarHBondContact O-CA 3.31Å; T726-G729 PolarHBondContact O-N 2.88Å; L727-G729 VanDerWaalsContact C-N 3.34Å; G729-L731 VanDerWaalsContact C-N 3.31Å; G729-L731 PolarHBondContact O-N 2.64Å; G729-S732 CarbonylContact O-C 3.56Å; G729-S732 WeakPolarHBondContact O-CA 3.5Å; G729-S732 VanDerWaalsContact O-CB 3.31Å; G729-S732 WeakPolarHBondContact O-CB 3.38Å; G729-S732 PolarHBondContact O-N 3.31Å; G729-D733 PolarHBondContact O-N 3.44Å
730	E	67.5	Low	63.6	Low	103 Å²	103	99.5 Å²	99.5	48%	0.481	53%	0.533	S	S	.	.	H	α-helix	trans	-57.4	-42.1	176.7	-70.3	170.8	-173.6	0	0	111.9	T726 S732 D733 I734	T726-E730 WeakPolarHBondContact CG2-OE1 3.24Å; T726-E730 WeakPolarHBondContact O-CG 3.48Å; T726-E730 PolarHBondContact O-N 3.42Å; E730-S732 VanDerWaalsContact C-N 3.3Å; E730-S732 PolarHBondContact O-N 3.1Å; E730-D733 PolarHBondContact O-N 2.87Å; E730-I734 WeakPolarHBondContact O-CB 3.46Å; E730-I734 VanDerWaalsContact O-CG1 3.24Å; E730-I734 WeakPolarHBondContact O-CG1 3.31Å; E730-I734 PolarHBondContact O-N 3.28Å
731	L	65	Low	64.7	Low	104 Å²	104	99.3 Å²	99.3	55%	0.545	53%	0.531	S	S	.	.	H	α-helix	trans	-65.4	-33.5	174.2	-163.9	77.8	0	0	0	112	L727 G729 I734 I735	L727-L731 WeakPolarHBondContact O-CB 3.35Å; L727-L731 PolarHBondContact O-N 2.79Å; G729-L731 VanDerWaalsContact C-N 3.31Å; G729-L731 PolarHBondContact O-N 2.64Å; L731-I734 PolarHBondContact O-N 2.86Å; L731-I735 HydrophobicContact CG-CD1 4.26Å; L731-I735 WeakPolarHBondContact O-CB 3.45Å; L731-I735 WeakPolarHBondContact O-CD1 3.43Å; L731-I735 WeakPolarHBondContact O-CG1 3.42Å; L731-I735 PolarHBondContact O-N 3.28Å
732	S	66.4	Low	65.7	Low	63 Å²	63	99.5 Å²	99.5	44%	0.441	53%	0.526	S	S	.	.	H	α-helix	trans	-69.4	-40.1	175.6	-59.3	0	0	0	0	111.9	Q728 G729 E730 I735 F736	Q728-S732 WeakPolarHBondContact O-CB 3.09Å; Q728-S732 PolarHBondContact O-N 3.2Å; Q728-S732 VanDerWaalsContact O-N 3.09Å; Q728-S732 PolarHBondContact O-OG 3.13Å; G729-S732 CarbonylContact O-C 3.56Å; G729-S732 WeakPolarHBondContact O-CA 3.5Å; G729-S732 VanDerWaalsContact O-CB 3.31Å; G729-S732 WeakPolarHBondContact O-CB 3.38Å; G729-S732 PolarHBondContact O-N 3.31Å; E730-S732 VanDerWaalsContact C-N 3.3Å; E730-S732 PolarHBondContact O-N 3.1Å; S732-I735 PolarHBondContact O-N 3.41Å; S732-F736 WeakPolarHBondContact O-CB 3.48Å; S732-F736 PolarHBondContact O-N 2.61Å
733	D	65.1	Low	66.6	Low	112 Å²	112	98.3 Å²	98.3	60%	0.599	52%	0.52	S	S	*	.	H	α-helix	trans	-69	-34.9	174	-74.4	-22	0	0	0	112	G729 E730 F736 T737	G729-D733 PolarHBondContact O-N 3.44Å; E730-D733 PolarHBondContact O-N 2.87Å; D733-F736 PolarHBondContact O-N 2.94Å; D733-T737 WeakPolarHBondContact O-CB 3.25Å; D733-T737 WeakPolarHBondContact O-CG2 3.48Å; D733-T737 PolarHBondContact O-N 3.38Å; D733-T737 PolarHBondContact O-OG1 2.83Å
734	I	72.5	Confident	67.8	Low	89 Å²	89	96.8 Å²	96.8	46%	0.456	52%	0.519	S	S	.	.	H	α-helix	trans	-63.9	-43.4	170.3	-70.5	165.2	0	0	0	110.6	E730 L731 T737 F738	E730-I734 WeakPolarHBondContact O-CB 3.46Å; E730-I734 VanDerWaalsContact O-CG1 3.24Å; E730-I734 WeakPolarHBondContact O-CG1 3.31Å; E730-I734 PolarHBondContact O-N 3.28Å; L731-I734 PolarHBondContact O-N 2.86Å; I734-T737 WeakPolarHBondContact CA-OG1 3.5Å; I734-T737 PolarHBondContact O-N 3.49Å; I734-T737 PolarHBondContact O-OG1 3.16Å; I734-T737 VanDerWaalsContact O-OG1 3.04Å; I734-F738 HydrophobicContact CG2-CD2 4.06Å; I734-F738 HydrophobicContact CG2-CE2 4.37Å; I734-F738 WeakPolarHBondContact O-CB 3.49Å; I734-F738 WeakPolarHBondContact O-CD2 3.42Å; I734-F738 PolarHBondContact O-N 3.1Å
735	I	69.8	Low	68.8	Low	110 Å²	110	95.9 Å²	95.9	56%	0.564	51%	0.514	S	S	*	.	H	α-helix	trans	-64.3	-39.8	174.6	-71.8	163.4	0	0	0	111.1	L731 S732 F738 G739	L731-I735 HydrophobicContact CG-CD1 4.26Å; L731-I735 WeakPolarHBondContact O-CB 3.45Å; L731-I735 WeakPolarHBondContact O-CD1 3.43Å; L731-I735 WeakPolarHBondContact O-CG1 3.42Å; L731-I735 PolarHBondContact O-N 3.28Å; S732-I735 PolarHBondContact O-N 3.41Å; I735-F738 PolarHBondContact O-N 3.46Å; I735-G739 PolarHBondContact O-N 3.08Å
736	F	66.2	Low	69.6	Low	161 Å²	161	95.4 Å²	95.4	71%	0.706	51%	0.508	S	S	*	.	H	α-helix	trans	-69.3	-39.2	179.3	-160.3	-88.9	0	0	0	112.3	S732 D733 G739 S740	S732-F736 WeakPolarHBondContact O-CB 3.48Å; S732-F736 PolarHBondContact O-N 2.61Å; D733-F736 PolarHBondContact O-N 2.94Å; F736-G739 PolarHBondContact O-N 3.17Å; F736-S740 PolarHBondContact O-N 3.24Å
737	T	75.7	Confident	70.2	Confident	77 Å²	77	93.7 Å²	93.7	47%	0.472	51%	0.507	S	S	.	.	H	α-helix	trans	-69.7	-37.8	173.6	48.4	0	0	0	0	112.2	D733 I734 G739 S740 I741	D733-T737 WeakPolarHBondContact O-CB 3.25Å; D733-T737 WeakPolarHBondContact O-CG2 3.48Å; D733-T737 PolarHBondContact O-N 3.38Å; D733-T737 PolarHBondContact O-OG1 2.83Å; I734-T737 WeakPolarHBondContact CA-OG1 3.5Å; I734-T737 PolarHBondContact O-N 3.49Å; I734-T737 PolarHBondContact O-OG1 3.16Å; I734-T737 VanDerWaalsContact O-OG1 3.04Å; T737-G739 VanDerWaalsContact C-N 3.33Å; T737-G739 PolarHBondContact O-N 3.2Å; T737-S740 PolarHBondContact O-N 2.93Å; T737-I741 WeakPolarHBondContact O-CB 3.43Å; T737-I741 VanDerWaalsContact O-CG1 3.26Å; T737-I741 WeakPolarHBondContact O-CG1 3.5Å; T737-I741 PolarHBondContact O-N 3.26Å
738	F	71.1	Confident	71	Confident	141 Å²	141	94.2 Å²	94.2	62%	0.618	51%	0.509	S	S	*	.	H	α-helix	trans	-62.3	-38.3	168.5	-99.4	-81.7	0	0	0	112.6	I734 I735 I741 N742	I734-F738 HydrophobicContact CG2-CD2 4.06Å; I734-F738 HydrophobicContact CG2-CE2 4.37Å; I734-F738 WeakPolarHBondContact O-CB 3.49Å; I734-F738 WeakPolarHBondContact O-CD2 3.42Å; I734-F738 PolarHBondContact O-N 3.1Å; I735-F738 PolarHBondContact O-N 3.46Å; F738-I741 PolarHBondContact O-N 3.21Å; F738-N742 VanDerWaalsContact O-CB 3.3Å; F738-N742 WeakPolarHBondContact O-CB 3.28Å; F738-N742 PolarHBondContact O-N 3.42Å
739	G	71.3	Confident	71.5	Confident	30 Å²	30	93.5 Å²	93.5	31%	0.309	51%	0.506	S	S	.	.	H	α-helix	trans	-59.9	-50.4	172.4	0	0	0	0	0	112.1	I735 F736 T737 I741 N742 D743	I735-G739 PolarHBondContact O-N 3.08Å; F736-G739 PolarHBondContact O-N 3.17Å; T737-G739 VanDerWaalsContact C-N 3.33Å; T737-G739 PolarHBondContact O-N 3.2Å; G739-I741 PolarHBondContact O-N 3.4Å; G739-N742 WeakPolarHBondContact O-CB 3.26Å; G739-N742 PolarHBondContact O-N 2.89Å; G739-D743 PolarHBondContact O-N 3.33Å
740	S	71.4	Confident	71.5	Confident	66 Å²	66	98 Å²	98	46%	0.462	52%	0.518	S	S	.	.	H	α-helix	trans	-59.3	-41.8	175.6	-176.8	0	0	0	0	112.7	F736 T737 D743 T744	F736-S740 PolarHBondContact O-N 3.24Å; T737-S740 PolarHBondContact O-N 2.93Å; S740-D743 PolarHBondContact O-N 3.45Å; S740-T744 WeakPolarHBondContact O-CG2 3.35Å; S740-T744 PolarHBondContact O-N 3.17Å; S740-T744 PolarHBondContact O-OG1 3.13Å
741	I	76.4	Confident	71.9	Confident	94 Å²	94	95.8 Å²	95.8	48%	0.482	51%	0.513	S	S	.	.	H	α-helix	trans	-62.5	-47.7	173.9	-70.3	164.4	0	0	0	110.3	T737 F738 G739 D743 T744 L745	T737-I741 WeakPolarHBondContact O-CB 3.43Å; T737-I741 VanDerWaalsContact O-CG1 3.26Å; T737-I741 WeakPolarHBondContact O-CG1 3.5Å; T737-I741 PolarHBondContact O-N 3.26Å; F738-I741 PolarHBondContact O-N 3.21Å; G739-I741 PolarHBondContact O-N 3.4Å; I741-D743 VanDerWaalsContact C-N 3.29Å; I741-D743 PolarHBondContact O-N 3.27Å; I741-T744 WeakPolarHBondContact CA-OG1 3.36Å; I741-T744 PolarHBondContact O-N 3.35Å; I741-T744 PolarHBondContact O-OG1 2.95Å; I741-L745 WeakPolarHBondContact O-CB 3.38Å; I741-L745 PolarHBondContact O-N 3.17Å
742	N	75.8	Confident	72.6	Confident	89 Å²	89	95.4 Å²	95.4	48%	0.476	52%	0.516	S	S	.	.	H	α-helix	trans	-60.4	-37.2	177.6	-174.3	56.5	0	0	0	112.5	F738 G739 L745 R746	F738-N742 VanDerWaalsContact O-CB 3.3Å; F738-N742 WeakPolarHBondContact O-CB 3.28Å; F738-N742 PolarHBondContact O-N 3.42Å; G739-N742 WeakPolarHBondContact O-CB 3.26Å; G739-N742 PolarHBondContact O-N 2.89Å; N742-L745 PolarHBondContact O-N 2.95Å; N742-R746 PolarHBondContact ND2-NH2 3.26Å; N742-R746 WeakPolarHBondContact O-CB 3.48Å; N742-R746 PolarHBondContact O-N 3.49Å
743	D	74.1	Confident	72.8	Confident	87 Å²	87	98.4 Å²	98.4	47%	0.465	52%	0.523	S	S	.	.	H	α-helix	trans	-71.3	-38.6	176.2	-71.6	-19.1	0	0	0	112.7	G739 S740 I741 L745 R746 G747	G739-D743 PolarHBondContact O-N 3.33Å; S740-D743 PolarHBondContact O-N 3.45Å; I741-D743 VanDerWaalsContact C-N 3.29Å; I741-D743 PolarHBondContact O-N 3.27Å; D743-L745 VanDerWaalsContact C-N 3.35Å; D743-R746 PolarHBondContact O-N 3.24Å; D743-R746 IonicContact OD1-CZ 3Å; D743-R746 IonicContact OD1-NE 3.99Å; D743-R746 IonicContact OD1-NH2 2.71Å; D743-R746 PolarHBondContact OD1-NH2 2.95Å; D743-G747 PolarHBondContact O-N 3.12Å
744	T	77.2	Confident	73.5	Confident	90 Å²	90	99.1 Å²	99.1	55%	0.552	52%	0.52	S	S	*	.	H	α-helix	trans	-67.1	-34.3	171.6	55.7	0	0	0	0	112.7	S740 I741 G747 L748	S740-T744 WeakPolarHBondContact O-CG2 3.35Å; S740-T744 PolarHBondContact O-N 3.17Å; S740-T744 PolarHBondContact O-OG1 3.13Å; I741-T744 WeakPolarHBondContact CA-OG1 3.36Å; I741-T744 PolarHBondContact O-N 3.35Å; I741-T744 PolarHBondContact O-OG1 2.95Å; T744-G747 PolarHBondContact O-N 3.21Å; T744-L748 PolarHBondContact O-N 3.42Å
745	L	74.6	Confident	73.5	Confident	109 Å²	109	100.3 Å²	100.3	57%	0.571	52%	0.524	S	S	*	.	H	α-helix	trans	-68.6	-42.8	176.5	-150.6	159.4	0	0	0	111	I741 N742 D743 L748 E749	I741-L745 WeakPolarHBondContact O-CB 3.38Å; I741-L745 PolarHBondContact O-N 3.17Å; N742-L745 PolarHBondContact O-N 2.95Å; D743-L745 VanDerWaalsContact C-N 3.35Å; L745-L748 WeakPolarHBondContact O-CA 3.44Å; L745-L748 VanDerWaalsContact O-CB 3.31Å; L745-L748 WeakPolarHBondContact O-CB 3.48Å; L745-L748 PolarHBondContact O-N 3.22Å; L745-L748 VanDerWaalsContact O-N 3.14Å; L745-E749 PolarHBondContact O-N 3.22Å
746	R	73.9	Confident	73.9	Confident	133 Å²	133	96.7 Å²	96.7	50%	0.502	51%	0.514	S	S	.	.	H	α-helix	trans	-63.7	-36.8	172	-156.7	-167.4	-38.3	-148.7	10.6	112.7	N742 D743 L748 E749 H750	N742-R746 PolarHBondContact ND2-NH2 3.26Å; N742-R746 WeakPolarHBondContact O-CB 3.48Å; N742-R746 PolarHBondContact O-N 3.49Å; D743-R746 PolarHBondContact O-N 3.24Å; D743-R746 IonicContact OD1-CZ 3Å; D743-R746 IonicContact OD1-NE 3.99Å; D743-R746 IonicContact OD1-NH2 2.71Å; D743-R746 PolarHBondContact OD1-NH2 2.95Å; R746-L748 VanDerWaalsContact C-N 3.34Å; R746-E749 PolarHBondContact O-N 3.43Å; R746-H750 PolarHBondContact O-N 3.04Å
747	G	75.2	Confident	74.3	Confident	43 Å²	43	91.7 Å²	91.7	44%	0.443	50%	0.499	S	S	.	.	H	α-helix	trans	-65	-37.2	170.9	0	0	0	0	0	112.6	D743 T744 S751	D743-G747 PolarHBondContact O-N 3.12Å; T744-G747 PolarHBondContact O-N 3.21Å; G747-S751 WeakPolarHBondContact O-CB 3.36Å; G747-S751 PolarHBondContact O-N 3.07Å; G747-S751 VanDerWaalsContact O-N 3.07Å
748	L	72.3	Confident	74.5	Confident	119 Å²	119	92.1 Å²	92.1	62%	0.623	50%	0.497	S	S	*	.	H	α-helix	trans	-66.8	-46.2	173.8	-140.2	93.6	0	0	0	111.4	T744 L745 R746 H750 S751 V752	T744-L748 PolarHBondContact O-N 3.42Å; L745-L748 WeakPolarHBondContact O-CA 3.44Å; L745-L748 VanDerWaalsContact O-CB 3.31Å; L745-L748 WeakPolarHBondContact O-CB 3.48Å; L745-L748 PolarHBondContact O-N 3.22Å; L745-L748 VanDerWaalsContact O-N 3.14Å; R746-L748 VanDerWaalsContact C-N 3.34Å; L748-H750 PolarHBondContact O-N 3.35Å; L748-S751 CarbonylContact O-C 3.52Å; L748-S751 WeakPolarHBondContact O-CA 3.5Å; L748-S751 WeakPolarHBondContact O-CB 3.41Å; L748-S751 PolarHBondContact O-N 2.94Å; L748-S751 VanDerWaalsContact O-N 3.1Å; L748-V752 WeakPolarHBondContact O-CG2 3.45Å; L748-V752 PolarHBondContact O-N 2.79Å
749	E	71.4	Confident	74.8	Confident	111 Å²	111	91.1 Å²	91.1	52%	0.519	50%	0.497	S	S	.	.	H	α-helix	trans	-54.4	-50.8	175.8	179.3	-176.7	-161.6	0	0	111.5	L745 R746 S751 V752 Q753	L745-E749 PolarHBondContact O-N 3.22Å; R746-E749 PolarHBondContact O-N 3.43Å; E749-S751 VanDerWaalsContact C-N 3.29Å; E749-S751 PolarHBondContact O-N 3.32Å; E749-V752 PolarHBondContact O-N 2.79Å; E749-Q753 PolarHBondContact O-N 3.43Å
750	H	69.1	Low	75.1	Confident	128 Å²	128	93.7 Å²	93.7	59%	0.593	51%	0.507	S	S	*	.	H	α-helix	trans	-61.9	-36.2	176.1	-177.7	-95.5	0	0	0	112.4	R746 L748 K754	R746-H750 PolarHBondContact O-N 3.04Å; L748-H750 PolarHBondContact O-N 3.35Å; H750-K754 WeakPolarHBondContact O-CB 3.32Å; H750-K754 PolarHBondContact O-N 3.42Å
751	S	76.4	Confident	75.2	Confident	55 Å²	55	95 Å²	95	39%	0.385	51%	0.508	S	S	.	.	H	α-helix	trans	-68.7	-38.1	174.8	-163.1	0	0	0	0	112.4	G747 L748 E749 K754 H755	G747-S751 WeakPolarHBondContact O-CB 3.36Å; G747-S751 PolarHBondContact O-N 3.07Å; G747-S751 VanDerWaalsContact O-N 3.07Å; L748-S751 CarbonylContact O-C 3.52Å; L748-S751 WeakPolarHBondContact O-CA 3.5Å; L748-S751 WeakPolarHBondContact O-CB 3.41Å; L748-S751 PolarHBondContact O-N 2.94Å; L748-S751 VanDerWaalsContact O-N 3.1Å; E749-S751 VanDerWaalsContact C-N 3.29Å; E749-S751 PolarHBondContact O-N 3.32Å; S751-K754 PolarHBondContact O-N 3.46Å; S751-H755 PolarHBondContact O-N 2.77Å; S751-H755 PolarHBondContact O-ND1 3.11Å
752	V	78.1	Confident	75.1	Confident	97 Å²	97	96.2 Å²	96.2	59%	0.588	52%	0.515	S	S	*	.	H	α-helix	trans	-67.8	-43.7	174.8	170.3	0	0	0	0	110.9	L748 E749 K754 H755 G756	L748-V752 WeakPolarHBondContact O-CG2 3.45Å; L748-V752 PolarHBondContact O-N 2.79Å; E749-V752 PolarHBondContact O-N 2.79Å; V752-K754 VanDerWaalsContact C-N 3.31Å; V752-K754 PolarHBondContact O-N 3.18Å; V752-H755 PolarHBondContact O-N 3.14Å; V752-H755 VanDerWaalsContact O-N 3.16Å; V752-G756 PolarHBondContact O-N 3.47Å
753	Q	70.8	Confident	74.9	Confident	126 Å²	126	93.2 Å²	93.2	59%	0.589	51%	0.505	S	S	*	.	H	α-helix	trans	-58.3	-42	172.5	-80.9	-178.6	-16.9	0	0	112	E749 H755 G756 S757	E749-Q753 PolarHBondContact O-N 3.43Å; Q753-H755 PolarHBondContact O-N 3.29Å; Q753-G756 WeakPolarHBondContact O-CA 3.46Å; Q753-G756 PolarHBondContact O-N 3.48Å; Q753-G756 VanDerWaalsContact O-N 3.16Å; Q753-S757 PolarHBondContact O-N 2.92Å
754	K	80.7	Confident	75	Confident	127 Å²	127	94 Å²	94	55%	0.552	51%	0.51	S	S	*	.	H	α-helix	trans	-65	-34.7	175.6	-173.9	177.8	178.5	-176.5	0	113.1	H750 S751 V752 S757 I758	H750-K754 WeakPolarHBondContact O-CB 3.32Å; H750-K754 PolarHBondContact O-N 3.42Å; S751-K754 PolarHBondContact O-N 3.46Å; V752-K754 VanDerWaalsContact C-N 3.31Å; V752-K754 PolarHBondContact O-N 3.18Å; K754-S757 PolarHBondContact O-OG 3.19Å; K754-I758 HydrophobicContact CG-CD1 4.28Å; K754-I758 WeakPolarHBondContact O-CD1 3.47Å; K754-I758 VanDerWaalsContact O-CG1 3.25Å; K754-I758 WeakPolarHBondContact O-CG1 3.5Å; K754-I758 PolarHBondContact O-N 3.23Å
755	H	72.7	Confident	74.9	Confident	113 Å²	113	93.2 Å²	93.2	52%	0.523	51%	0.505	S	S	.	.	H	α-helix	trans	-70.3	-37.9	171	-76.1	82.1	0	0	0	111.5	S751 V752 Q753 S757 I758 I759	S751-H755 PolarHBondContact O-N 2.77Å; S751-H755 PolarHBondContact O-ND1 3.11Å; V752-H755 PolarHBondContact O-N 3.14Å; V752-H755 VanDerWaalsContact O-N 3.16Å; Q753-H755 PolarHBondContact O-N 3.29Å; H755-S757 PolarHBondContact O-N 3.36Å; H755-I758 PolarHBondContact O-N 3.49Å; H755-I759 WeakPolarHBondContact O-CB 3.41Å; H755-I759 VanDerWaalsContact O-CG1 3.26Å; H755-I759 WeakPolarHBondContact O-CG1 3.48Å; H755-I759 PolarHBondContact O-N 3.37Å
756	G	77.2	Confident	74.8	Confident	35 Å²	35	92.8 Å²	92.8	36%	0.361	50%	0.498	S	S	.	.	H	α-helix	trans	-56.8	-46.4	172.7	0	0	0	0	0	112.8	V752 Q753 I759 T760	V752-G756 PolarHBondContact O-N 3.47Å; Q753-G756 WeakPolarHBondContact O-CA 3.46Å; Q753-G756 PolarHBondContact O-N 3.48Å; Q753-G756 VanDerWaalsContact O-N 3.16Å; G756-I759 PolarHBondContact O-N 3.39Å; G756-T760 PolarHBondContact O-N 2.79Å; G756-T760 PolarHBondContact O-OG1 3.03Å; G756-T760 VanDerWaalsContact O-OG1 3.14Å
757	S	75.2	Confident	74.6	Confident	55 Å²	55	90.8 Å²	90.8	39%	0.385	50%	0.498	S	S	.	.	H	α-helix	trans	-63.8	-43	176.6	65.4	0	0	0	0	112.2	Q753 K754 H755 I759 T760 D761	Q753-S757 PolarHBondContact O-N 2.92Å; K754-S757 PolarHBondContact O-OG 3.19Å; H755-S757 PolarHBondContact O-N 3.36Å; S757-I759 VanDerWaalsContact C-N 3.31Å; S757-I759 PolarHBondContact O-N 3.16Å; S757-T760 WeakPolarHBondContact CA-OG1 3.48Å; S757-T760 PolarHBondContact O-N 3.27Å; S757-T760 PolarHBondContact O-OG1 3Å; S757-D761 PolarHBondContact O-N 3.05Å
758	I	80.8	Confident	74.7	Confident	87 Å²	87	94.8 Å²	94.8	45%	0.446	50%	0.503	S	S	.	.	H	α-helix	trans	-62.1	-38.1	176.4	-68.6	165.2	0	0	0	111.5	K754 H755 D761 L762	K754-I758 HydrophobicContact CG-CD1 4.28Å; K754-I758 WeakPolarHBondContact O-CD1 3.47Å; K754-I758 VanDerWaalsContact O-CG1 3.25Å; K754-I758 WeakPolarHBondContact O-CG1 3.5Å; K754-I758 PolarHBondContact O-N 3.23Å; H755-I758 PolarHBondContact O-N 3.49Å; I758-D761 PolarHBondContact O-N 3.05Å; I758-L762 VanDerWaalsContact O-CB 3.31Å; I758-L762 WeakPolarHBondContact O-CB 3.18Å; I758-L762 PolarHBondContact O-N 3.42Å
759	I	76.1	Confident	74.6	Confident	119 Å²	119	94.2 Å²	94.2	61%	0.61	50%	0.499	S	S	*	.	H	α-helix	trans	-67.2	-41.3	176.5	-70.4	163.9	0	0	0	110.9	H755 G756 S757 L762 G763	H755-I759 WeakPolarHBondContact O-CB 3.41Å; H755-I759 VanDerWaalsContact O-CG1 3.26Å; H755-I759 WeakPolarHBondContact O-CG1 3.48Å; H755-I759 PolarHBondContact O-N 3.37Å; G756-I759 PolarHBondContact O-N 3.39Å; S757-I759 VanDerWaalsContact C-N 3.31Å; S757-I759 PolarHBondContact O-N 3.16Å; I759-L762 PolarHBondContact O-N 3.34Å; I759-G763 PolarHBondContact O-N 2.8Å
760	T	78.3	Confident	74.5	Confident	84 Å²	84	91.9 Å²	91.9	52%	0.515	49%	0.49	S	S	.	.	H	α-helix	trans	-67.5	-39.2	174.1	43.1	0	0	0	0	112.8	G756 S757 L762 G763 N764	G756-T760 PolarHBondContact O-N 2.79Å; G756-T760 PolarHBondContact O-OG1 3.03Å; G756-T760 VanDerWaalsContact O-OG1 3.14Å; S757-T760 WeakPolarHBondContact CA-OG1 3.48Å; S757-T760 PolarHBondContact O-N 3.27Å; S757-T760 PolarHBondContact O-OG1 3Å; T760-L762 VanDerWaalsContact C-N 3.32Å; T760-L762 PolarHBondContact O-N 3.14Å; T760-G763 PolarHBondContact O-N 3.47Å; T760-N764 PolarHBondContact O-N 2.77Å; T760-N764 PolarHBondContact O-ND2 2.7Å; T760-N764 VanDerWaalsContact O-ND2 3.17Å
761	D	73.9	Confident	74.8	Confident	93 Å²	93	88.9 Å²	88.9	50%	0.497	48%	0.483	S	S	.	.	H	α-helix	trans	-64.6	-37.2	174.9	-72.2	-28.6	0	0	0	111.9	S757 I758 T765	S757-D761 PolarHBondContact O-N 3.05Å; I758-D761 PolarHBondContact O-N 3.05Å; D761-T765 WeakPolarHBondContact O-CB 3.33Å; D761-T765 PolarHBondContact O-N 3.49Å; D761-T765 PolarHBondContact O-OG1 3.15Å
762	L	74.2	Confident	74.6	Confident	120 Å²	120	90.3 Å²	90.3	63%	0.628	48%	0.484	S	S	*	.	H	α-helix	trans	-68.1	-37.1	173.4	-173.2	63.2	0	0	0	112	I758 I759 T760 T765 K766	I758-L762 VanDerWaalsContact O-CB 3.31Å; I758-L762 WeakPolarHBondContact O-CB 3.18Å; I758-L762 PolarHBondContact O-N 3.42Å; I759-L762 PolarHBondContact O-N 3.34Å; T760-L762 VanDerWaalsContact C-N 3.32Å; T760-L762 PolarHBondContact O-N 3.14Å; L762-T765 PolarHBondContact O-N 2.92Å; L762-K766 PolarHBondContact O-N 3.16Å
763	G	70.9	Confident	73.9	Confident	26 Å²	26	89.7 Å²	89.7	27%	0.268	48%	0.477	S	S	.	.	H	α-helix	trans	-60.5	-53.3	170.8	0	0	0	0	0	112.1	I759 T760 T765 K766 D767	I759-G763 PolarHBondContact O-N 2.8Å; T760-G763 PolarHBondContact O-N 3.47Å; G763-T765 PolarHBondContact O-N 3.46Å; G763-K766 WeakPolarHBondContact O-CB 3.5Å; G763-K766 PolarHBondContact O-N 3.26Å; G763-K766 VanDerWaalsContact O-N 3.07Å; G763-D767 PolarHBondContact O-N 3.12Å
764	N	75.5	Confident	73.6	Confident	104 Å²	104	88.2 Å²	88.2	56%	0.556	47%	0.473	S	S	*	.	H	α-helix	trans	-55	-36.7	174.5	-65.9	-32.6	0	0	0	112.1	T760 K768	T760-N764 PolarHBondContact O-N 2.77Å; T760-N764 PolarHBondContact O-ND2 2.7Å; T760-N764 VanDerWaalsContact O-ND2 3.17Å; N764-K768 WeakPolarHBondContact O-CB 3.41Å; N764-K768 PolarHBondContact O-N 2.97Å
765	T	76.1	Confident	73.1	Confident	73 Å²	73	87.1 Å²	87.1	45%	0.448	47%	0.468	S	S	.	.	H	α-helix	trans	-71.2	-42.4	177.1	-57	0	0	0	0	112.1	D761 L762 G763 K768 I769	D761-T765 WeakPolarHBondContact O-CB 3.33Å; D761-T765 PolarHBondContact O-N 3.49Å; D761-T765 PolarHBondContact O-OG1 3.15Å; L762-T765 PolarHBondContact O-N 2.92Å; G763-T765 PolarHBondContact O-N 3.46Å; T765-K768 PolarHBondContact O-N 3.43Å; T765-I769 HydrophobicContact CG2-CD1 4.06Å; T765-I769 VanDerWaalsContact O-CG1 3.27Å; T765-I769 WeakPolarHBondContact O-CG1 3.27Å; T765-I769 PolarHBondContact O-N 3.45Å
766	K	72.6	Confident	72.7	Confident	100 Å²	100	86.2 Å²	86.2	44%	0.435	47%	0.466	S	S	.	.	H	α-helix	trans	-57.7	-51.1	172.5	170.6	-161.9	162.9	-166.5	0	110.6	L762 G763 K768 I769 I770	L762-K766 PolarHBondContact O-N 3.16Å; G763-K766 WeakPolarHBondContact O-CB 3.5Å; G763-K766 PolarHBondContact O-N 3.26Å; G763-K766 VanDerWaalsContact O-N 3.07Å; K766-K768 VanDerWaalsContact C-N 3.29Å; K766-K768 PolarHBondContact O-N 2.96Å; K766-I769 WeakPolarHBondContact O-CB 3.42Å; K766-I769 PolarHBondContact O-N 2.88Å; K766-I770 HydrophobicContact CD-CD1 4.46Å; K766-I770 HydrophobicContact CG-CD1 3.98Å; K766-I770 WeakPolarHBondContact O-CG1 3.04Å; K766-I770 PolarHBondContact O-N 2.92Å
767	D	69.9	Low	71.7	Confident	91 Å²	91	88.6 Å²	88.6	49%	0.487	47%	0.468	S	S	.	.	H	α-helix	trans	-68.3	-33.4	-174.1	-61.5	-20.1	0	0	0	110.9	G763 I770 S771	G763-D767 PolarHBondContact O-N 3.12Å; D767-I770 PolarHBondContact O-N 2.84Å; D767-S771 PolarHBondContact O-N 3.33Å
768	K	76.3	Confident	71.3	Confident	128 Å²	128	91.7 Å²	91.7	56%	0.557	48%	0.476	S	S	*	.	H	α-helix	trans	-62.3	-46.5	167.6	-173.8	174.5	-178.9	179.8	0	112.4	N764 T765 K766 I770 S771 E772	N764-K768 WeakPolarHBondContact O-CB 3.41Å; N764-K768 PolarHBondContact O-N 2.97Å; T765-K768 PolarHBondContact O-N 3.43Å; K766-K768 VanDerWaalsContact C-N 3.29Å; K766-K768 PolarHBondContact O-N 2.96Å; K768-I770 VanDerWaalsContact C-N 3.28Å; K768-I770 PolarHBondContact O-N 2.84Å; K768-S771 PolarHBondContact O-N 2.86Å; K768-S771 VanDerWaalsContact O-N 3.14Å; K768-S771 PolarHBondContact O-OG 3.15Å; K768-E772 WeakPolarHBondContact O-CG 3.29Å; K768-E772 PolarHBondContact O-N 3.16Å
769	I	70.2	Confident	70.3	Confident	106 Å²	106	92.1 Å²	92.1	54%	0.544	48%	0.476	S	S	.	.	H	α-helix	trans	-59.5	-40.9	177.4	-71.9	163.9	0	0	0	110.7	T765 K766 E772 L773	T765-I769 HydrophobicContact CG2-CD1 4.06Å; T765-I769 VanDerWaalsContact O-CG1 3.27Å; T765-I769 WeakPolarHBondContact O-CG1 3.27Å; T765-I769 PolarHBondContact O-N 3.45Å; K766-I769 WeakPolarHBondContact O-CB 3.42Å; K766-I769 PolarHBondContact O-N 2.88Å; I769-E772 PolarHBondContact O-N 2.94Å; I769-L773 WeakPolarHBondContact O-CB 3.31Å; I769-L773 PolarHBondContact O-N 3.42Å
770	I	69.7	Low	69.5	Low	63 Å²	63	90 Å²	90	32%	0.323	47%	0.469	S	S	.	.	H	α-helix	trans	-60.2	-47.7	174.1	-67.3	167.7	0	0	0	110.4	K766 D767 K768 E772 L773 D774	K766-I770 HydrophobicContact CD-CD1 4.46Å; K766-I770 HydrophobicContact CG-CD1 3.98Å; K766-I770 WeakPolarHBondContact O-CG1 3.04Å; K766-I770 PolarHBondContact O-N 2.92Å; D767-I770 PolarHBondContact O-N 2.84Å; K768-I770 VanDerWaalsContact C-N 3.28Å; K768-I770 PolarHBondContact O-N 2.84Å; I770-E772 VanDerWaalsContact C-N 3.33Å; I770-E772 PolarHBondContact O-N 3.3Å; I770-L773 WeakPolarHBondContact O-CA 3.27Å; I770-L773 WeakPolarHBondContact O-CB 3.45Å; I770-L773 PolarHBondContact O-N 3.08Å; I770-D774 PolarHBondContact O-N 3.05Å
771	S	75.4	Confident	68.7	Low	65 Å²	65	89.8 Å²	89.8	46%	0.455	47%	0.468	S	S	.	.	H	α-helix	trans	-63.3	-33.4	179.7	72.6	0	0	0	0	114.3	D767 K768 K775	D767-S771 PolarHBondContact O-N 3.33Å; K768-S771 PolarHBondContact O-N 2.86Å; K768-S771 VanDerWaalsContact O-N 3.14Å; K768-S771 PolarHBondContact O-OG 3.15Å; S771-K775 VanDerWaalsContact O-CB 3.24Å; S771-K775 WeakPolarHBondContact O-CB 3.41Å; S771-K775 PolarHBondContact O-N 3.23Å; S771-K775 VanDerWaalsContact O-N 3.13Å
772	E	72	Confident	68.2	Low	84 Å²	84	89.1 Å²	89.1	39%	0.393	46%	0.462	S	S	.	.	H	α-helix	trans	-74.1	-31.2	172.9	-60.8	-77.9	-172.5	0	0	111	K768 I769 I770 I776	K768-E772 WeakPolarHBondContact O-CG 3.29Å; K768-E772 PolarHBondContact O-N 3.16Å; I769-E772 PolarHBondContact O-N 2.94Å; I770-E772 VanDerWaalsContact C-N 3.33Å; I770-E772 PolarHBondContact O-N 3.3Å; E772-I776 WeakPolarHBondContact O-CB 3.48Å; E772-I776 WeakPolarHBondContact O-CD1 3.34Å; E772-I776 WeakPolarHBondContact O-CG1 3.28Å; E772-I776 PolarHBondContact O-N 3.15Å
773	L	63.8	Low	67.3	Low	85 Å²	85	89.5 Å²	89.5	45%	0.445	46%	0.46	S	S	.	.	H	α-helix	trans	-67.8	-48.4	175.2	-145.8	81.8	0	0	0	111.5	I769 I770 K775 I776 Q777	I769-L773 WeakPolarHBondContact O-CB 3.31Å; I769-L773 PolarHBondContact O-N 3.42Å; I770-L773 WeakPolarHBondContact O-CA 3.27Å; I770-L773 WeakPolarHBondContact O-CB 3.45Å; I770-L773 PolarHBondContact O-N 3.08Å; L773-K775 VanDerWaalsContact C-N 3.26Å; L773-K775 PolarHBondContact O-N 3.03Å; L773-I776 PolarHBondContact O-N 3.05Å; L773-Q777 WeakPolarHBondContact O-CB 3.47Å; L773-Q777 PolarHBondContact O-N 3.36Å
774	D	63.8	Low	66.6	Low	95 Å²	95	92.3 Å²	92.3	51%	0.508	47%	0.472	S	S	.	.	H	α-helix	trans	-58.6	-40.9	174.9	-68.2	-29.1	0	0	0	110.7	I770 Q777 Q778	I770-D774 PolarHBondContact O-N 3.05Å; D774-Q777 PolarHBondContact O-N 3.27Å; D774-Q778 PolarHBondContact O-N 3.15Å
775	K	70.9	Confident	65.9	Low	103 Å²	103	93 Å²	93	45%	0.448	47%	0.472	S	S	.	.	H	α-helix	trans	-66.1	-44.2	176.5	-178.2	173.5	173.5	-74.4	0	112.6	S771 L773 Q777 Q778 E779	S771-K775 VanDerWaalsContact O-CB 3.24Å; S771-K775 WeakPolarHBondContact O-CB 3.41Å; S771-K775 PolarHBondContact O-N 3.23Å; S771-K775 VanDerWaalsContact O-N 3.13Å; L773-K775 VanDerWaalsContact C-N 3.26Å; L773-K775 PolarHBondContact O-N 3.03Å; K775-Q777 VanDerWaalsContact C-N 3.31Å; K775-Q778 PolarHBondContact O-N 3.45Å; K775-E779 WeakPolarHBondContact CE-OE1 3.49Å; K775-E779 IonicContact NZ-OE1 2.67Å; K775-E779 PolarHBondContact NZ-OE1 3.31Å; K775-E779 WeakPolarHBondContact O-CB 3.43Å; K775-E779 WeakPolarHBondContact O-CG 3.46Å; K775-E779 PolarHBondContact O-N 3.01Å
776	I	64.3	Low	64.9	Low	95 Å²	95	95 Å²	95	49%	0.487	47%	0.471	S	S	.	.	H	α-helix	trans	-62.3	-41.7	173.8	-72.4	163.3	0	0	0	110.3	E772 L773 Q778 E779 V780	E772-I776 WeakPolarHBondContact O-CB 3.48Å; E772-I776 WeakPolarHBondContact O-CD1 3.34Å; E772-I776 WeakPolarHBondContact O-CG1 3.28Å; E772-I776 PolarHBondContact O-N 3.15Å; L773-I776 PolarHBondContact O-N 3.05Å; I776-Q778 VanDerWaalsContact C-N 3.35Å; I776-Q778 PolarHBondContact O-N 3.12Å; I776-E779 PolarHBondContact O-N 3.41Å; I776-V780 HydrophobicContact CG2-CG2 4.39Å; I776-V780 WeakPolarHBondContact O-CB 3.49Å; I776-V780 VanDerWaalsContact O-CG2 3.3Å; I776-V780 WeakPolarHBondContact O-CG2 3.23Å; I776-V780 PolarHBondContact O-N 3.06Å
777	Q	55.5	Low	63.8	Low	85 Å²	85	91.8 Å²	91.8	40%	0.397	46%	0.461	S	S	.	.	H	α-helix	trans	-61.8	-42.4	176.8	-173.3	171.3	-22.4	0	0	111.3	L773 D774 K775 T781	L773-Q777 WeakPolarHBondContact O-CB 3.47Å; L773-Q777 PolarHBondContact O-N 3.36Å; D774-Q777 PolarHBondContact O-N 3.27Å; K775-Q777 VanDerWaalsContact C-N 3.31Å; Q777-T781 PolarHBondContact O-N 3.41Å; Q777-T781 PolarHBondContact O-OG1 3.34Å
778	Q	67.7	Low	63.1	Low	119 Å²	119	92.7 Å²	92.7	56%	0.556	46%	0.462	S	S	*	.	H	α-helix	trans	-65	-46.6	172.8	-176.8	176.6	-24.2	0	0	112.4	D774 K775 I776 V780 T781 E782	D774-Q778 PolarHBondContact O-N 3.15Å; K775-Q778 PolarHBondContact O-N 3.45Å; I776-Q778 VanDerWaalsContact C-N 3.35Å; I776-Q778 PolarHBondContact O-N 3.12Å; Q778-V780 VanDerWaalsContact C-N 3.27Å; Q778-V780 PolarHBondContact O-N 2.95Å; Q778-T781 PolarHBondContact O-N 2.99Å; Q778-T781 VanDerWaalsContact O-N 3.16Å; Q778-E782 HydrophobicContact CG-CG 4.39Å; Q778-E782 PolarHBondContact NE2-OE1 3.22Å; Q778-E782 WeakPolarHBondContact O-CG 3.35Å; Q778-E782 PolarHBondContact O-N 3.32Å
779	E	59.6	Low	62.2	Low	96 Å²	96	90.3 Å²	90.3	45%	0.449	45%	0.453	S	S	.	.	H	α-helix	trans	-58.9	-38.7	178.4	-76.9	178.6	-161.5	0	0	111.9	K775 I776 H783	K775-E779 WeakPolarHBondContact CE-OE1 3.49Å; K775-E779 IonicContact NZ-OE1 2.67Å; K775-E779 PolarHBondContact NZ-OE1 3.31Å; K775-E779 WeakPolarHBondContact O-CB 3.43Å; K775-E779 WeakPolarHBondContact O-CG 3.46Å; K775-E779 PolarHBondContact O-N 3.01Å; I776-E779 PolarHBondContact O-N 3.41Å; E779-H783 WeakPolarHBondContact O-CB 3.4Å; E779-H783 PolarHBondContact O-N 3.44Å
780	V	59.8	Low	61.5	Low	75 Å²	75	91.6 Å²	91.6	46%	0.455	45%	0.451	S	S	.	.	H	α-helix	trans	-67.4	-46.7	173.4	169.2	0	0	0	0	111.4	I776 Q778 E782 H783 V784	I776-V780 HydrophobicContact CG2-CG2 4.39Å; I776-V780 WeakPolarHBondContact O-CB 3.49Å; I776-V780 VanDerWaalsContact O-CG2 3.3Å; I776-V780 WeakPolarHBondContact O-CG2 3.23Å; I776-V780 PolarHBondContact O-N 3.06Å; Q778-V780 VanDerWaalsContact C-N 3.27Å; Q778-V780 PolarHBondContact O-N 2.95Å; V780-E782 VanDerWaalsContact C-N 3.35Å; V780-E782 PolarHBondContact O-N 3.49Å; V780-H783 PolarHBondContact O-N 3Å; V780-V784 WeakPolarHBondContact O-CG2 3.33Å; V780-V784 PolarHBondContact O-N 3.02Å
781	T	60.7	Low	60.6	Low	80 Å²	80	93.7 Å²	93.7	49%	0.491	46%	0.463	S	S	.	.	H	α-helix	trans	-59.8	-44.5	177.7	-60.7	0	0	0	0	111.5	Q777 Q778 H783 V784 Q785	Q777-T781 PolarHBondContact O-N 3.41Å; Q777-T781 PolarHBondContact O-OG1 3.34Å; Q778-T781 PolarHBondContact O-N 2.99Å; Q778-T781 VanDerWaalsContact O-N 3.16Å; T781-H783 VanDerWaalsContact C-N 3.32Å; T781-H783 PolarHBondContact O-N 3.17Å; T781-V784 PolarHBondContact O-N 3.23Å; T781-Q785 PolarHBondContact O-N 3.48Å
782	E	63.6	Low	59.5	Low	78 Å²	78	94 Å²	94	36%	0.364	46%	0.459	S	S	.	.	H	α-helix	trans	-65.8	-33	173.8	-67.6	-177.7	-157.6	0	0	112.4	Q778 V780 Q785 R786	Q778-E782 HydrophobicContact CG-CG 4.39Å; Q778-E782 PolarHBondContact NE2-OE1 3.22Å; Q778-E782 WeakPolarHBondContact O-CG 3.35Å; Q778-E782 PolarHBondContact O-N 3.32Å; V780-E782 VanDerWaalsContact C-N 3.35Å; V780-E782 PolarHBondContact O-N 3.49Å; E782-Q785 PolarHBondContact O-N 3.19Å; E782-R786 VanDerWaalsContact O-CB 3.29Å; E782-R786 WeakPolarHBondContact O-CB 3.48Å; E782-R786 VanDerWaalsContact O-CG 3.22Å; E782-R786 WeakPolarHBondContact O-CG 3.28Å; E782-R786 PolarHBondContact O-N 3.42Å; E782-R786 IonicContact OE2-CZ 2.71Å; E782-R786 IonicContact OE2-NH2 3.28Å; E782-R786 PolarHBondContact OE2-NH2 3Å
783	H	55.1	Low	58.6	Low	128 Å²	128	96.3 Å²	96.3	59%	0.593	46%	0.464	S	S	*	.	H	α-helix	trans	-70.2	-36.5	176.1	-160.9	-57.7	0	0	0	112.3	E779 V780 T781 S787	E779-H783 WeakPolarHBondContact O-CB 3.4Å; E779-H783 PolarHBondContact O-N 3.44Å; V780-H783 PolarHBondContact O-N 3Å; T781-H783 VanDerWaalsContact C-N 3.32Å; T781-H783 PolarHBondContact O-N 3.17Å; H783-S787 WeakPolarHBondContact O-CB 3.35Å; H783-S787 PolarHBondContact O-N 3.37Å
784	V	56.8	Low	57.9	Low	85 Å²	85	95.9 Å²	95.9	52%	0.515	47%	0.465	S	S	.	.	H	α-helix	trans	-62.7	-49.6	170.6	173.3	0	0	0	0	109.6	V780 T781 R786 S787 Q788	V780-V784 WeakPolarHBondContact O-CG2 3.33Å; V780-V784 PolarHBondContact O-N 3.02Å; T781-V784 PolarHBondContact O-N 3.23Å; V784-R786 PolarHBondContact O-N 3.25Å; V784-S787 CarbonylContact O-C 3.51Å; V784-S787 WeakPolarHBondContact O-CA 3.45Å; V784-S787 VanDerWaalsContact O-CB 3.28Å; V784-S787 WeakPolarHBondContact O-CB 3.41Å; V784-S787 PolarHBondContact O-N 3.19Å; V784-Q788 PolarHBondContact O-N 3.44Å
785	Q	59.3	Low	57.2	Low	119 Å²	119	94.7 Å²	94.7	56%	0.556	46%	0.459	S	S	*	.	H	α-helix	trans	-64.8	-38.7	-179.6	-171.8	164.8	-16.4	0	0	112.9	T781 E782 S787 Q788 E789	T781-Q785 PolarHBondContact O-N 3.48Å; E782-Q785 PolarHBondContact O-N 3.19Å; Q785-S787 PolarHBondContact O-N 3.1Å; Q785-Q788 WeakPolarHBondContact O-CB 3.44Å; Q785-Q788 PolarHBondContact O-N 3.32Å; Q785-E789 WeakPolarHBondContact O-CG 3.45Å; Q785-E789 PolarHBondContact O-N 3.13Å
786	R	55.3	Low	56.5	Low	116 Å²	116	96.5 Å²	96.5	44%	0.438	46%	0.463	S	S	.	.	H	α-helix	trans	-64.9	-26.4	171.3	-73	-178.9	-118.5	114.4	-9.6	112.9	E782 V784 R790	E782-R786 VanDerWaalsContact O-CB 3.29Å; E782-R786 WeakPolarHBondContact O-CB 3.48Å; E782-R786 VanDerWaalsContact O-CG 3.22Å; E782-R786 WeakPolarHBondContact O-CG 3.28Å; E782-R786 PolarHBondContact O-N 3.42Å; E782-R786 IonicContact OE2-CZ 2.71Å; E782-R786 IonicContact OE2-NH2 3.28Å; E782-R786 PolarHBondContact OE2-NH2 3Å; V784-R786 PolarHBondContact O-N 3.25Å; R786-R790 WeakPolarHBondContact O-CG 3.47Å; R786-R790 PolarHBondContact O-N 3.26Å
787	S	50.1	Low	56	Low	32 Å²	32	96 Å²	96	22%	0.224	46%	0.461	C	S	.	.	H	α-helix	trans	-76.1	-43.1	171.8	-158.3	0	0	0	0	111.5	H783 V784 Q785 E789 R790 L791	H783-S787 WeakPolarHBondContact O-CB 3.35Å; H783-S787 PolarHBondContact O-N 3.37Å; V784-S787 CarbonylContact O-C 3.51Å; V784-S787 WeakPolarHBondContact O-CA 3.45Å; V784-S787 VanDerWaalsContact O-CB 3.28Å; V784-S787 WeakPolarHBondContact O-CB 3.41Å; V784-S787 PolarHBondContact O-N 3.19Å; Q785-S787 PolarHBondContact O-N 3.1Å; S787-E789 PolarHBondContact O-N 3Å; S787-R790 WeakPolarHBondContact O-CB 3.43Å; S787-R790 PolarHBondContact O-N 3.36Å; S787-R790 VanDerWaalsContact O-N 3.11Å; S787-L791 WeakPolarHBondContact O-CG 3.28Å; S787-L791 PolarHBondContact O-N 3.27Å
788	Q	54.7	Low	55.7	Low	109 Å²	109	95.8 Å²	95.8	51%	0.509	47%	0.466	S	S	.	.	H	α-helix	trans	-54.7	-52.3	172.3	-156.9	89.7	18	0	0	110.3	V784 Q785 R790 L791 D792	V784-Q788 PolarHBondContact O-N 3.44Å; Q785-Q788 WeakPolarHBondContact O-CB 3.44Å; Q785-Q788 PolarHBondContact O-N 3.32Å; Q788-R790 PolarHBondContact O-N 3.31Å; Q788-R790 VanDerWaalsContact O-N 3.15Å; Q788-L791 PolarHBondContact O-N 3.11Å; Q788-D792 PolarHBondContact O-N 3.19Å
789	E	58.8	Low	54.9	Low	78 Å²	78	96.7 Å²	96.7	36%	0.364	46%	0.464	S	S	.	.	H	α-helix	trans	-62	-24	177.9	-76	-175.6	-151.3	0	0	114.5	Q785 S787 R793	Q785-E789 WeakPolarHBondContact O-CG 3.45Å; Q785-E789 PolarHBondContact O-N 3.13Å; S787-E789 PolarHBondContact O-N 3Å; E789-R793 WeakPolarHBondContact O-CB 3.46Å; E789-R793 VanDerWaalsContact O-CG 3.25Å; E789-R793 WeakPolarHBondContact O-CG 3.36Å; E789-R793 PolarHBondContact O-N 3.13Å; E789-R793 PolarHBondContact O-NE 3.42Å; E789-R793 IonicContact OE2-NH2 3.28Å; E789-R793 PolarHBondContact OE2-NH2 3.45Å
790	R	54.2	Low	54.6	Low	133 Å²	133	98.9 Å²	98.9	50%	0.502	47%	0.468	S	S	.	.	H	α-helix	trans	-74	-47.8	170.7	-83	179.7	61.9	-144.6	-5.7	110.3	D306 R786 S787 Q788 R793 T794	D306-R790 IonicContact OD1-NH2 2.66Å; D306-R790 PolarHBondContact OD1-NH2 3.38Å; R786-R790 WeakPolarHBondContact O-CG 3.47Å; R786-R790 PolarHBondContact O-N 3.26Å; S787-R790 WeakPolarHBondContact O-CB 3.43Å; S787-R790 PolarHBondContact O-N 3.36Å; S787-R790 VanDerWaalsContact O-N 3.11Å; Q788-R790 PolarHBondContact O-N 3.31Å; Q788-R790 VanDerWaalsContact O-N 3.15Å; R790-R793 WeakPolarHBondContact O-CB 3.49Å; R790-R793 PolarHBondContact O-N 3.03Å; R790-R793 VanDerWaalsContact O-N 3.12Å; R790-T794 PolarHBondContact O-N 3.24Å; R790-T794 PolarHBondContact O-OG1 3.35Å; R790-T794 VanDerWaalsContact O-OG1 3.13Å
791	L	50.7	Low	54.1	Low	108 Å²	108	98.5 Å²	98.5	57%	0.565	46%	0.463	S	S	*	.	H	α-helix	trans	-62.2	-43.8	178.3	-67.2	170.2	0	0	0	111.2	S787 Q788 R793 T794 D795	S787-L791 WeakPolarHBondContact O-CG 3.28Å; S787-L791 PolarHBondContact O-N 3.27Å; Q788-L791 PolarHBondContact O-N 3.11Å; L791-R793 PolarHBondContact O-N 3.43Å; L791-T794 WeakPolarHBondContact O-CB 3.38Å; L791-T794 PolarHBondContact O-N 3.11Å; L791-T794 VanDerWaalsContact O-N 3.12Å; L791-D795 PolarHBondContact O-N 3.07Å
792	D	52.7	Low	53.4	Low	72 Å²	72	100.1 Å²	100.1	39%	0.385	47%	0.465	S	S	.	.	H	α-helix	trans	-62.1	-29.5	174.5	-60.4	-22.1	0	0	0	112.3	Q788 R796	Q788-D792 PolarHBondContact O-N 3.19Å; D792-R796 VanDerWaalsContact CB-NH2 3.31Å; D792-R796 WeakPolarHBondContact O-CG 3.46Å; D792-R796 PolarHBondContact O-N 3.28Å; D792-R796 PolarHBondContact O-NE 3.4Å; D792-R796 PolarHBondContact O-NH2 3.01Å
793	R	52.8	Low	52.7	Low	132 Å²	132	100.1 Å²	100.1	50%	0.498	47%	0.474	S	S	.	.	H	α-helix	trans	-73.1	-46.4	173	-81.3	174.8	-114	-158.2	-7	110.4	E789 R790 L791 D795 R796 D797	E789-R793 WeakPolarHBondContact O-CB 3.46Å; E789-R793 VanDerWaalsContact O-CG 3.25Å; E789-R793 WeakPolarHBondContact O-CG 3.36Å; E789-R793 PolarHBondContact O-N 3.13Å; E789-R793 PolarHBondContact O-NE 3.42Å; E789-R793 IonicContact OE2-NH2 3.28Å; E789-R793 PolarHBondContact OE2-NH2 3.45Å; R790-R793 WeakPolarHBondContact O-CB 3.49Å; R790-R793 PolarHBondContact O-N 3.03Å; R790-R793 VanDerWaalsContact O-N 3.12Å; L791-R793 PolarHBondContact O-N 3.43Å; R793-D795 PolarHBondContact O-N 3.18Å; R793-R796 PolarHBondContact O-N 3.18Å; R793-D797 PolarHBondContact O-N 3.49Å
794	T	49.9	Very low	52.4	Low	76 Å²	76	96.4 Å²	96.4	47%	0.466	46%	0.457	S	S	.	.	H	α-helix	trans	-58.4	-44.8	174.8	-51.9	0	0	0	0	112.2	R790 L791 R796 D797 V798	R790-T794 PolarHBondContact O-N 3.24Å; R790-T794 PolarHBondContact O-OG1 3.35Å; R790-T794 VanDerWaalsContact O-OG1 3.13Å; L791-T794 WeakPolarHBondContact O-CB 3.38Å; L791-T794 PolarHBondContact O-N 3.11Å; L791-T794 VanDerWaalsContact O-N 3.12Å; T794-R796 PolarHBondContact O-N 3.35Å; T794-D797 PolarHBondContact O-N 3.28Å; T794-V798 HydrophobicContact CG2-CG2 4.37Å; T794-V798 WeakPolarHBondContact O-CB 3.44Å; T794-V798 VanDerWaalsContact O-CG2 3.27Å; T794-V798 WeakPolarHBondContact O-CG2 3.27Å; T794-V798 PolarHBondContact O-N 3.06Å
795	D	49.6	Very low	52.1	Low	70 Å²	70	96.1 Å²	96.1	37%	0.374	45%	0.452	S	S	.	.	H	α-helix	trans	-59.5	-45.7	175.5	169.8	92.7	0	0	0	111.7	L791 R793 D797 V798 R799	L791-D795 PolarHBondContact O-N 3.07Å; R793-D795 PolarHBondContact O-N 3.18Å; D795-D797 PolarHBondContact O-N 3.4Å; D795-V798 PolarHBondContact O-N 2.71Å; D795-R799 VanDerWaalsContact CG-NE 3.31Å; D795-R799 WeakPolarHBondContact O-CG 3.14Å; D795-R799 PolarHBondContact O-N 3.18Å; D795-R799 IonicContact OD1-CZ 3.31Å; D795-R799 IonicContact OD1-NE 3.46Å; D795-R799 PolarHBondContact OD1-NE 3.04Å; D795-R799 IonicContact OD1-NH2 2.6Å; D795-R799 PolarHBondContact OD1-NH2 3.37Å; D795-R799 IonicContact OD2-CZ 3.47Å; D795-R799 IonicContact OD2-NE 2.7Å; D795-R799 PolarHBondContact OD2-NE 3Å; D795-R799 IonicContact OD2-NH2 2.77Å
796	R	56.4	Low	51.8	Low	140 Å²	140	95 Å²	95	53%	0.528	45%	0.453	S	S	.	.	H	α-helix	trans	-64.2	-39.5	175.6	-78.7	174.9	-71.1	-159.8	-7.1	112.7	D792 R793 T794 R800	D792-R796 VanDerWaalsContact CB-NH2 3.31Å; D792-R796 WeakPolarHBondContact O-CG 3.46Å; D792-R796 PolarHBondContact O-N 3.28Å; D792-R796 PolarHBondContact O-NE 3.4Å; D792-R796 PolarHBondContact O-NH2 3.01Å; R793-R796 PolarHBondContact O-N 3.18Å; T794-R796 PolarHBondContact O-N 3.35Å; R796-R800 WeakPolarHBondContact O-CB 3.41Å; R796-R800 PolarHBondContact O-N 3.23Å
797	D	53.9	Low	51.8	Low	85 Å²	85	91.7 Å²	91.7	46%	0.455	45%	0.451	S	S	.	.	H	α-helix	trans	-69.6	-36.6	176.8	-72.5	-31.4	0	0	0	111.5	R793 T794 D795 R800 L801	R793-D797 PolarHBondContact O-N 3.49Å; T794-D797 PolarHBondContact O-N 3.28Å; D795-D797 PolarHBondContact O-N 3.4Å; D797-R800 PolarHBondContact O-N 3.06Å; D797-L801 WeakPolarHBondContact O-CB 3.35Å; D797-L801 WeakPolarHBondContact O-CG 3.32Å; D797-L801 PolarHBondContact O-N 3.1Å
798	V	49.1	Very low	51.8	Low	81 Å²	81	92.5 Å²	92.5	49%	0.491	45%	0.451	S	S	.	.	H	α-helix	trans	-64.4	-51.4	172.4	168.1	0	0	0	0	111.1	T794 D795 R800 L801 E802	T794-V798 HydrophobicContact CG2-CG2 4.37Å; T794-V798 WeakPolarHBondContact O-CB 3.44Å; T794-V798 VanDerWaalsContact O-CG2 3.27Å; T794-V798 WeakPolarHBondContact O-CG2 3.27Å; T794-V798 PolarHBondContact O-N 3.06Å; D795-V798 PolarHBondContact O-N 2.71Å; V798-R800 PolarHBondContact O-N 3.37Å; V798-L801 PolarHBondContact O-N 3.48Å; V798-L801 VanDerWaalsContact O-N 3.1Å; V798-E802 WeakPolarHBondContact O-CB 3.42Å; V798-E802 PolarHBondContact O-N 2.87Å
799	R	49.1	Very low	51.7	Low	138 Å²	138	90.3 Å²	90.3	52%	0.521	45%	0.445	S	S	.	.	H	α-helix	trans	-58.5	-31.7	174.6	-70.2	176.8	-161.6	-81.3	-11.9	112.6	D795 S803	D795-R799 VanDerWaalsContact CG-NE 3.31Å; D795-R799 WeakPolarHBondContact O-CG 3.14Å; D795-R799 PolarHBondContact O-N 3.18Å; D795-R799 IonicContact OD1-CZ 3.31Å; D795-R799 IonicContact OD1-NE 3.46Å; D795-R799 PolarHBondContact OD1-NE 3.04Å; D795-R799 IonicContact OD1-NH2 2.6Å; D795-R799 PolarHBondContact OD1-NH2 3.37Å; D795-R799 IonicContact OD2-CZ 3.47Å; D795-R799 IonicContact OD2-NE 2.7Å; D795-R799 PolarHBondContact OD2-NE 3Å; D795-R799 IonicContact OD2-NH2 2.77Å; R799-S803 VanDerWaalsContact O-CB 3.28Å; R799-S803 WeakPolarHBondContact O-CB 3.34Å; R799-S803 PolarHBondContact O-N 3.17Å; R799-S803 PolarHBondContact O-OG 3.05Å
800	R	53.5	Low	51.4	Low	142 Å²	142	87.7 Å²	87.7	54%	0.536	44%	0.439	S	S	.	.	H	α-helix	trans	-76.1	-35.4	177.6	-167.2	179.2	-173.6	-164.8	0.1	112.1	R796 D797 V798 M804	R796-R800 WeakPolarHBondContact O-CB 3.41Å; R796-R800 PolarHBondContact O-N 3.23Å; D797-R800 PolarHBondContact O-N 3.06Å; V798-R800 PolarHBondContact O-N 3.37Å; R800-M804 HydrophobicContact CG-CE 4.05Å; R800-M804 WeakPolarHBondContact O-CB 3.43Å; R800-M804 WeakPolarHBondContact O-CE 3.24Å; R800-M804 PolarHBondContact O-N 3.48Å
801	L	49	Very low	51.2	Low	67 Å²	67	85.1 Å²	85.1	35%	0.351	44%	0.435	S	S	.	.	H	α-helix	trans	-68.5	-43.3	170.3	-75	166.3	0	0	0	111.6	L320 D797 V798 M804 L805	L320-L801 HydrophobicContact CD2-CD2 4.15Å; D797-L801 WeakPolarHBondContact O-CB 3.35Å; D797-L801 WeakPolarHBondContact O-CG 3.32Å; D797-L801 PolarHBondContact O-N 3.1Å; V798-L801 PolarHBondContact O-N 3.48Å; V798-L801 VanDerWaalsContact O-N 3.1Å; L801-M804 PolarHBondContact O-N 3.31Å; L801-L805 WeakPolarHBondContact O-CB 3.41Å; L801-L805 PolarHBondContact O-N 3.27Å
802	E	46.7	Very low	51	Low	114 Å²	114	81.4 Å²	81.4	53%	0.533	42%	0.418	S	S	.	.	H	α-helix	trans	-56.2	-50.6	171.1	179.5	-171.3	-167.9	0	0	110.7	V798 M804 L805 V806	V798-E802 WeakPolarHBondContact O-CB 3.42Å; V798-E802 PolarHBondContact O-N 2.87Å; E802-M804 VanDerWaalsContact C-N 3.33Å; E802-M804 PolarHBondContact O-N 3.25Å; E802-L805 PolarHBondContact O-N 2.93Å; E802-V806 WeakPolarHBondContact O-CB 3.49Å; E802-V806 WeakPolarHBondContact O-CG2 3.41Å; E802-V806 PolarHBondContact O-N 3.25Å
803	S	48.9	Very low	51	Low	78 Å²	78	86.4 Å²	86.4	55%	0.545	43%	0.432	S	S	.	.	H	α-helix	trans	-60.8	-39	176.7	-61	0	0	0	0	112.7	R799 A807	R799-S803 VanDerWaalsContact O-CB 3.28Å; R799-S803 WeakPolarHBondContact O-CB 3.34Å; R799-S803 PolarHBondContact O-N 3.17Å; R799-S803 PolarHBondContact O-OG 3.05Å; S803-A807 VanDerWaalsContact O-CB 3.24Å; S803-A807 WeakPolarHBondContact O-CB 3.2Å; S803-A807 PolarHBondContact O-N 3.2Å
804	M	49.9	Very low	51.1	Low	50 Å²	50	87.8 Å²	87.8	25%	0.246	44%	0.437	C	S	.	.	H	α-helix	trans	-66.9	-44.3	173.5	-99.3	-179.4	-75.1	0	0	111.8	V608 R800 L801 E802 A807 E808	V608-M804 HydrophobicContact CG1-CE 4.36Å; V608-M804 HydrophobicContact CG1-SD 4.01Å; R800-M804 HydrophobicContact CG-CE 4.05Å; R800-M804 WeakPolarHBondContact O-CB 3.43Å; R800-M804 WeakPolarHBondContact O-CE 3.24Å; R800-M804 PolarHBondContact O-N 3.48Å; L801-M804 PolarHBondContact O-N 3.31Å; E802-M804 VanDerWaalsContact C-N 3.33Å; E802-M804 PolarHBondContact O-N 3.25Å; M804-A807 PolarHBondContact O-N 3.1Å; M804-E808 VanDerWaalsContact O-CB 3.23Å; M804-E808 WeakPolarHBondContact O-CB 3.46Å; M804-E808 PolarHBondContact O-N 2.87Å
805	L	50.1	Low	51.2	Low	78 Å²	78	86.1 Å²	86.1	41%	0.408	43%	0.428	S	S	.	.	H	α-helix	trans	-63.8	-43.4	179.7	-175.4	65.8	0	0	0	111.1	L320 L801 E802 T809	L320-L805 HydrophobicContact CD1-CD1 4.03Å; L801-L805 WeakPolarHBondContact O-CB 3.41Å; L801-L805 PolarHBondContact O-N 3.27Å; E802-L805 PolarHBondContact O-N 2.93Å; L805-T809 HydrophobicContact CD1-CG2 4.09Å; L805-T809 HydrophobicContact CG-CG2 4.43Å; L805-T809 VanDerWaalsContact O-CB 3.27Å; L805-T809 WeakPolarHBondContact O-CB 3.22Å; L805-T809 VanDerWaalsContact O-CG2 3.25Å; L805-T809 WeakPolarHBondContact O-CG2 3.47Å; L805-T809 PolarHBondContact O-N 3.07Å; L805-T809 PolarHBondContact O-OG1 2.9Å
806	V	53.3	Low	51.4	Low	96 Å²	96	83.2 Å²	83.2	58%	0.582	42%	0.415	S	S	*	.	H	α-helix	trans	-66.9	-38.8	176	172.7	0	0	0	0	111.7	E802 T809 G810	E802-V806 WeakPolarHBondContact O-CB 3.49Å; E802-V806 WeakPolarHBondContact O-CG2 3.41Å; E802-V806 PolarHBondContact O-N 3.25Å; V806-T809 PolarHBondContact O-OG1 3Å; V806-G810 WeakPolarHBondContact O-CA 3.36Å; V806-G810 PolarHBondContact O-N 3.32Å
807	A	53.7	Low	51.2	Low	47 Å²	47	79.9 Å²	79.9	39%	0.388	41%	0.408	S	S	.	.	H	α-helix	trans	-66.2	-50.7	174.3	0	0	0	0	0	111.8	S803 M804 G810 D811	S803-A807 VanDerWaalsContact O-CB 3.24Å; S803-A807 WeakPolarHBondContact O-CB 3.2Å; S803-A807 PolarHBondContact O-N 3.2Å; M804-A807 PolarHBondContact O-N 3.1Å; A807-G810 CarbonylContact O-C 3.6Å; A807-G810 WeakPolarHBondContact O-CA 3.41Å; A807-G810 PolarHBondContact O-N 3.23Å; A807-G810 VanDerWaalsContact O-N 3.14Å; A807-D811 PolarHBondContact O-N 2.89Å
808	E	51.4	Low	51.4	Low	49 Å²	49	77.3 Å²	77.3	23%	0.229	40%	0.401	C	S	.	.	H	α-helix	trans	-73.8	-33.5	-173.5	-170.9	159.4	-157.1	0	0	112.5	Q324 M804 C812	Q324-E808 WeakPolarHBondContact CG-OE1 3.48Å; Q324-E808 PolarHBondContact NE2-OE2 3.33Å; M804-E808 VanDerWaalsContact O-CB 3.23Å; M804-E808 WeakPolarHBondContact O-CB 3.46Å; M804-E808 PolarHBondContact O-N 2.87Å; E808-C812 WeakPolarHBondContact O-CB 3.25Å; E808-C812 PolarHBondContact O-N 3.48Å
809	T	51.6	Low	51.7	Low	63 Å²	63	73.7 Å²	73.7	39%	0.387	38%	0.379	S	S	.	.	H	α-helix	trans	-70.1	-36.1	166.3	56.8	0	0	0	0	111.9	L805 V806 R813	L805-T809 HydrophobicContact CD1-CG2 4.09Å; L805-T809 HydrophobicContact CG-CG2 4.43Å; L805-T809 VanDerWaalsContact O-CB 3.27Å; L805-T809 WeakPolarHBondContact O-CB 3.22Å; L805-T809 VanDerWaalsContact O-CG2 3.25Å; L805-T809 WeakPolarHBondContact O-CG2 3.47Å; L805-T809 PolarHBondContact O-N 3.07Å; L805-T809 PolarHBondContact O-OG1 2.9Å; V806-T809 PolarHBondContact O-OG1 3Å; T809-R813 VanDerWaalsContact O-CB 3.23Å; T809-R813 WeakPolarHBondContact O-CB 3.27Å; T809-R813 PolarHBondContact O-N 3.21Å
810	G	52.8	Low	51.9	Low	23 Å²	23	73.3 Å²	73.3	24%	0.237	38%	0.383	C	S	.	.	H	α-helix	trans	-61	-43.9	173.3	0	0	0	0	0	112.8	V806 A807 R813 R814	V806-G810 WeakPolarHBondContact O-CA 3.36Å; V806-G810 PolarHBondContact O-N 3.32Å; A807-G810 CarbonylContact O-C 3.6Å; A807-G810 WeakPolarHBondContact O-CA 3.41Å; A807-G810 PolarHBondContact O-N 3.23Å; A807-G810 VanDerWaalsContact O-N 3.14Å; G810-R813 PolarHBondContact O-N 3.24Å; G810-R814 WeakPolarHBondContact O-CB 3.35Å; G810-R814 VanDerWaalsContact O-CG 3.32Å; G810-R814 WeakPolarHBondContact O-CG 3.47Å; G810-R814 PolarHBondContact O-N 3.23Å
811	D	50.5	Low	52.2	Low	78 Å²	78	72.8 Å²	72.8	42%	0.417	39%	0.385	S	S	.	.	H	α-helix	trans	-73.8	-39.6	177.1	-74.1	-38.7	0	0	0	112.5	A807 R813 R814 S815	A807-D811 PolarHBondContact O-N 2.89Å; D811-R813 VanDerWaalsContact C-N 3.28Å; D811-R813 PolarHBondContact O-N 3.42Å; D811-R814 PolarHBondContact O-N 3Å; D811-R814 IonicContact OD1-CZ 2.69Å; D811-R814 IonicContact OD1-NE 2.7Å; D811-R814 PolarHBondContact OD1-NE 3.32Å; D811-R814 IonicContact OD1-NH2 2.72Å; D811-R814 PolarHBondContact OD1-NH2 3.09Å; D811-R814 IonicContact OD2-NH2 3.17Å; D811-S815 WeakPolarHBondContact O-CB 3.39Å; D811-S815 PolarHBondContact O-N 3.22Å; D811-S815 PolarHBondContact O-OG 3.4Å
812	C	47.2	Very low	52.6	Low	31 Å²	31	71.9 Å²	71.9	21%	0.209	38%	0.377	C	S	.	.	H	α-helix	trans	-57.4	-41.9	169.9	-174	0	0	0	0	111.6	E808 G816	E808-C812 WeakPolarHBondContact O-CB 3.25Å; E808-C812 PolarHBondContact O-N 3.48Å; C812-G816 PolarHBondContact O-N 2.95Å
813	R	51.9	Low	53.1	Low	177 Å²	177	68.7 Å²	68.7	67%	0.668	36%	0.363	S	S	*	.	H	α-helix	trans	-69.1	-43.2	175.4	-172.4	176.1	-176.5	166	3.8	112.6	T809 G810 D811 S815 G816 D817	T809-R813 VanDerWaalsContact O-CB 3.23Å; T809-R813 WeakPolarHBondContact O-CB 3.27Å; T809-R813 PolarHBondContact O-N 3.21Å; G810-R813 PolarHBondContact O-N 3.24Å; D811-R813 VanDerWaalsContact C-N 3.28Å; D811-R813 PolarHBondContact O-N 3.42Å; R813-S815 VanDerWaalsContact C-N 3.31Å; R813-S815 PolarHBondContact O-N 2.89Å; R813-G816 PolarHBondContact O-N 3.44Å; R813-G816 VanDerWaalsContact O-N 3.16Å; R813-D817 PolarHBondContact O-N 2.99Å
814	R	54.8	Low	53.6	Low	161 Å²	161	68.2 Å²	68.2	61%	0.608	36%	0.36	S	S	*	.	H	α-helix	trans	-59.8	-40.6	174.3	-79.1	-173.1	-80.8	-120.1	5.6	111.8	G810 D811 G818	G810-R814 WeakPolarHBondContact O-CB 3.35Å; G810-R814 VanDerWaalsContact O-CG 3.32Å; G810-R814 WeakPolarHBondContact O-CG 3.47Å; G810-R814 PolarHBondContact O-N 3.23Å; D811-R814 PolarHBondContact O-N 3Å; D811-R814 IonicContact OD1-CZ 2.69Å; D811-R814 IonicContact OD1-NE 2.7Å; D811-R814 PolarHBondContact OD1-NE 3.32Å; D811-R814 IonicContact OD1-NH2 2.72Å; D811-R814 PolarHBondContact OD1-NH2 3.09Å; D811-R814 IonicContact OD2-NH2 3.17Å; R814-G818 PolarHBondContact O-N 3.13Å
815	S	52.7	Low	53.9	Low	40 Å²	40	72.9 Å²	72.9	28%	0.28	38%	0.379	S	S	.	.	H	α-helix	trans	-67.3	-39.1	173.6	-66.1	0	0	0	0	112	D811 R813 G818 L819	D811-S815 WeakPolarHBondContact O-CB 3.39Å; D811-S815 PolarHBondContact O-N 3.22Å; D811-S815 PolarHBondContact O-OG 3.4Å; R813-S815 VanDerWaalsContact C-N 3.31Å; R813-S815 PolarHBondContact O-N 2.89Å; S815-G818 PolarHBondContact O-N 2.97Å; S815-L819 VanDerWaalsContact O-CB 3.26Å; S815-L819 WeakPolarHBondContact O-CB 3.38Å; S815-L819 PolarHBondContact O-N 2.7Å
816	G	52.3	Low	54.2	Low	9 Å²	9	70 Å²	70	9%	0.093	36%	0.363	C	S	.	.	H	α-helix	trans	-58.5	-54.5	171.1	0	0	0	0	0	113	C812 R813 G818 L819 E820	C812-G816 PolarHBondContact O-N 2.95Å; R813-G816 PolarHBondContact O-N 3.44Å; R813-G816 VanDerWaalsContact O-N 3.16Å; G816-G818 PolarHBondContact O-N 2.69Å; G816-L819 WeakPolarHBondContact O-CB 3.18Å; G816-L819 PolarHBondContact O-N 3.1Å; G816-L819 VanDerWaalsContact O-N 3.12Å; G816-E820 PolarHBondContact O-N 2.97Å
817	D	52.8	Low	54.4	Low	71 Å²	71	69.9 Å²	69.9	38%	0.38	36%	0.357	S	S	.	.	H	α-helix	trans	-57.4	-34.5	175.6	-76.5	15.2	0	0	0	112.4	R813 K821	R813-D817 PolarHBondContact O-N 2.99Å; D817-K821 WeakPolarHBondContact O-CB 3.25Å; D817-K821 WeakPolarHBondContact O-CD 3.41Å; D817-K821 WeakPolarHBondContact O-CE 3.21Å; D817-K821 WeakPolarHBondContact O-CG 3.41Å; D817-K821 PolarHBondContact O-N 3.26Å
818	G	58.5	Low	54.5	Low	31 Å²	31	69.4 Å²	69.4	32%	0.32	36%	0.356	S	S	.	.	H	α-helix	trans	-72.1	-40.9	176	0	0	0	0	0	112.8	R814 S815 G816 R822	R814-G818 PolarHBondContact O-N 3.13Å; S815-G818 PolarHBondContact O-N 2.97Å; G816-G818 PolarHBondContact O-N 2.69Å; G818-R822 WeakPolarHBondContact O-CG 3.47Å; G818-R822 PolarHBondContact O-N 3.41Å
819	L	55.7	Low	54.8	Low	5 Å²	5	69.2 Å²	69.2	3%	0.026	36%	0.358	C	S	.	.	H	α-helix	trans	-67.4	-43.8	177.7	-166.6	74.1	0	0	0	111.3	L333 Q334 M337 F435 S815 G816 K821 R822 L823	L333-L819 HydrophobicContact CD2-CD2 4.2Å; Q334-L819 HydrophobicContact CB-CD1 4.49Å; M337-L819 HydrophobicContact CE-CD1 4.11Å; M337-L819 HydrophobicContact SD-CD1 3.47Å; M337-L819 WeakPolarHBondContact SD-CD1 3.22Å; M337-L819 HydrophobicContact SD-CG 4.05Å; F435-L819 HydrophobicContact CE2-CD2 4.46Å; S815-L819 VanDerWaalsContact O-CB 3.26Å; S815-L819 WeakPolarHBondContact O-CB 3.38Å; S815-L819 PolarHBondContact O-N 2.7Å; G816-L819 WeakPolarHBondContact O-CB 3.18Å; G816-L819 PolarHBondContact O-N 3.1Å; G816-L819 VanDerWaalsContact O-N 3.12Å; L819-K821 PolarHBondContact O-N 3.11Å; L819-R822 WeakPolarHBondContact O-CA 3.48Å; L819-R822 WeakPolarHBondContact O-CB 3.4Å; L819-R822 PolarHBondContact O-N 3.39Å; L819-L823 PolarHBondContact O-N 3.5Å
820	E	52.4	Low	54.8	Low	130 Å²	130	68.1 Å²	68.1	61%	0.607	35%	0.352	S	S	*	.	H	α-helix	trans	-61.4	-44.2	175.8	-172.7	169.4	-154.2	0	0	111.2	G816 R822 L823 S824	G816-E820 PolarHBondContact O-N 2.97Å; E820-R822 PolarHBondContact O-N 2.8Å; E820-L823 WeakPolarHBondContact O-CB 3.27Å; E820-L823 PolarHBondContact O-N 3.32Å; E820-L823 VanDerWaalsContact O-N 3.1Å; E820-S824 PolarHBondContact O-N 2.68Å; E820-S824 PolarHBondContact O-OG 3.03Å
821	K	59.7	Low	54.8	Low	130 Å²	130	70.1 Å²	70.1	57%	0.565	37%	0.367	S	S	*	.	H	α-helix	trans	-63.4	-20.6	173.7	-72	164.7	-160.9	156.6	0	113.8	D817 L819 K825	D817-K821 WeakPolarHBondContact O-CB 3.25Å; D817-K821 WeakPolarHBondContact O-CD 3.41Å; D817-K821 WeakPolarHBondContact O-CE 3.21Å; D817-K821 WeakPolarHBondContact O-CG 3.41Å; D817-K821 PolarHBondContact O-N 3.26Å; L819-K821 PolarHBondContact O-N 3.11Å; K821-K825 WeakPolarHBondContact O-CD 3.5Å; K821-K825 VanDerWaalsContact O-CG 3.29Å; K821-K825 WeakPolarHBondContact O-CG 3.36Å
822	R	58	Low	55.1	Low	48 Å²	48	74.9 Å²	74.9	18%	0.181	38%	0.379	C	S	.	.	H	α-helix	trans	-84.6	-39.3	170.5	-71.8	177.9	71.7	173.8	9.8	111.9	M337 S338 E341 G818 L819 E820 S824 K825 L826	M337-R822 HydrophobicContact CE-CB 3.61Å; S338-R822 PolarHBondContact OG-NH1 3.3Å; S338-R822 PolarHBondContact OG-NH2 3.26Å; E341-R822 IonicContact OE1-CZ 3.86Å; E341-R822 IonicContact OE1-NE 2.79Å; E341-R822 PolarHBondContact OE1-NE 2.85Å; E341-R822 IonicContact OE1-NH2 2.85Å; E341-R822 PolarHBondContact OE1-NH2 3.32Å; E341-R822 IonicContact OE2-CZ 2.96Å; E341-R822 IonicContact OE2-NE 2.66Å; E341-R822 IonicContact OE2-NH2 2.65Å; E341-R822 PolarHBondContact OE2-NH2 2.8Å; G818-R822 WeakPolarHBondContact O-CG 3.47Å; G818-R822 PolarHBondContact O-N 3.41Å; L819-R822 WeakPolarHBondContact O-CA 3.48Å; L819-R822 WeakPolarHBondContact O-CB 3.4Å; L819-R822 PolarHBondContact O-N 3.39Å; E820-R822 PolarHBondContact O-N 2.8Å; R822-S824 PolarHBondContact O-N 3.1Å; R822-K825 WeakPolarHBondContact O-CB 3.45Å; R822-K825 PolarHBondContact O-N 2.91Å; R822-K825 VanDerWaalsContact O-N 3.1Å; R822-L826 PolarHBondContact O-N 3.2Å
823	L	57.4	Low	55.4	Low	48 Å²	48	77.9 Å²	77.9	25%	0.251	39%	0.392	S	S	.	.	H	α-helix	trans	-55.3	-49.7	171.6	-113.1	144.4	0	0	0	111.2	M337 L428 L819 E820 K825 L826 E827	M337-L823 HydrophobicContact CE-CG 4.36Å; M337-L823 HydrophobicContact SD-CD1 4.5Å; L428-L823 HydrophobicContact CD2-CD2 3.7Å; L819-L823 PolarHBondContact O-N 3.5Å; E820-L823 WeakPolarHBondContact O-CB 3.27Å; E820-L823 PolarHBondContact O-N 3.32Å; E820-L823 VanDerWaalsContact O-N 3.1Å; L823-K825 VanDerWaalsContact C-N 3.28Å; L823-K825 PolarHBondContact O-N 3.15Å; L823-L826 WeakPolarHBondContact O-CB 3.47Å; L823-L826 PolarHBondContact O-N 3.36Å; L823-E827 WeakPolarHBondContact O-CG 3.42Å; L823-E827 PolarHBondContact O-N 3.27Å
824	S	59.2	Low	55.4	Low	67 Å²	67	72.7 Å²	72.7	47%	0.469	38%	0.378	S	S	.	.	H	α-helix	trans	-63.9	-29.2	175.7	-51.2	0	0	0	0	113.9	E820 R822 G828	E820-S824 PolarHBondContact O-N 2.68Å; E820-S824 PolarHBondContact O-OG 3.03Å; R822-S824 PolarHBondContact O-N 3.1Å; S824-G828 PolarHBondContact O-N 3.38Å; S824-G828 VanDerWaalsContact O-N 3.15Å
825	K	56.5	Low	55.4	Low	149 Å²	149	66.9 Å²	66.9	65%	0.648	37%	0.368	S	S	*	.	H	α-helix	trans	-70.8	-39.1	171.6	-76.1	171.3	-178.8	178.8	0	111.3	K821 R822 L823 G828 V829	K821-K825 WeakPolarHBondContact O-CD 3.5Å; K821-K825 VanDerWaalsContact O-CG 3.29Å; K821-K825 WeakPolarHBondContact O-CG 3.36Å; R822-K825 WeakPolarHBondContact O-CB 3.45Å; R822-K825 PolarHBondContact O-N 2.91Å; R822-K825 VanDerWaalsContact O-N 3.1Å; L823-K825 VanDerWaalsContact C-N 3.28Å; L823-K825 PolarHBondContact O-N 3.15Å; K825-G828 CarbonylContact O-C 3.55Å; K825-G828 WeakPolarHBondContact O-CA 3.24Å; K825-G828 PolarHBondContact O-N 3.27Å; K825-V829 PolarHBondContact O-N 3.38Å
826	L	56.6	Low	55.5	Low	17 Å²	17	67 Å²	67	9%	0.089	37%	0.367	C	S	.	.	H	α-helix	trans	-66.9	-42.8	177.6	-157.7	81.1	0	0	0	111.5	E341 I344 L428 R822 L823 G828 V829 C830	E341-L826 HydrophobicContact CG-CD1 3.72Å; I344-L826 HydrophobicContact CD1-CD1 4.01Å; L428-L826 HydrophobicContact CD2-CD2 4.03Å; R822-L826 PolarHBondContact O-N 3.2Å; L823-L826 WeakPolarHBondContact O-CB 3.47Å; L823-L826 PolarHBondContact O-N 3.36Å; L826-G828 VanDerWaalsContact C-N 3.25Å; L826-G828 PolarHBondContact O-N 3.43Å; L826-V829 WeakPolarHBondContact O-CA 3.22Å; L826-V829 WeakPolarHBondContact O-CB 3.28Å; L826-V829 PolarHBondContact O-N 3.42Å; L826-C830 PolarHBondContact O-N 2.65Å
827	E	57	Low	55.5	Low	94 Å²	94	67.8 Å²	67.8	44%	0.439	37%	0.371	S	S	.	.	H	α-helix	trans	-55.1	-42.2	169.2	-69.9	176	149	0	0	111.1	L823 V829 C830 A831	L823-E827 WeakPolarHBondContact O-CG 3.42Å; L823-E827 PolarHBondContact O-N 3.27Å; E827-V829 VanDerWaalsContact C-N 3.27Å; E827-V829 PolarHBondContact O-N 3.05Å; E827-C830 WeakPolarHBondContact O-CB 3.43Å; E827-C830 PolarHBondContact O-N 3.44Å; E827-A831 PolarHBondContact O-N 3.27Å
828	G	56.5	Low	55.6	Low	36 Å²	36	68.5 Å²	68.5	37%	0.371	38%	0.375	S	S	.	.	H	α-helix	trans	-63.7	-24.6	172.5	0	0	0	0	0	115	S824 K825 L826 R832	S824-G828 PolarHBondContact O-N 3.38Å; S824-G828 VanDerWaalsContact O-N 3.15Å; K825-G828 CarbonylContact O-C 3.55Å; K825-G828 WeakPolarHBondContact O-CA 3.24Å; K825-G828 PolarHBondContact O-N 3.27Å; L826-G828 VanDerWaalsContact C-N 3.25Å; L826-G828 PolarHBondContact O-N 3.43Å; G828-R832 WeakPolarHBondContact O-CG 3.32Å
829	V	56.4	Low	55.5	Low	46 Å²	46	69.3 Å²	69.3	28%	0.279	38%	0.376	S	S	.	.	H	α-helix	trans	-81.2	-36.4	171.8	177.8	0	0	0	0	111.1	I344 K825 L826 E827 A831 R832 L833	I344-V829 HydrophobicContact CG2-CG1 3.54Å; K825-V829 PolarHBondContact O-N 3.38Å; L826-V829 WeakPolarHBondContact O-CA 3.22Å; L826-V829 WeakPolarHBondContact O-CB 3.28Å; L826-V829 PolarHBondContact O-N 3.42Å; E827-V829 VanDerWaalsContact C-N 3.27Å; E827-V829 PolarHBondContact O-N 3.05Å; V829-A831 VanDerWaalsContact C-N 3.3Å; V829-A831 PolarHBondContact O-N 3.43Å; V829-R832 WeakPolarHBondContact O-CA 3.46Å; V829-R832 WeakPolarHBondContact O-CB 3.36Å; V829-R832 PolarHBondContact O-N 3.13Å; V829-L833 PolarHBondContact O-N 2.96Å; V829-L833 VanDerWaalsContact O-N 3.13Å
830	C	52.6	Low	55.6	Low	39 Å²	39	71.7 Å²	71.7	26%	0.264	39%	0.388	S	S	.	.	H	α-helix	trans	-58.9	-41.2	170	-65.2	0	0	0	0	111.6	L826 E827 R832 L833 D834	L826-C830 PolarHBondContact O-N 2.65Å; E827-C830 WeakPolarHBondContact O-CB 3.43Å; E827-C830 PolarHBondContact O-N 3.44Å; C830-R832 PolarHBondContact O-N 3.08Å; C830-L833 WeakPolarHBondContact O-CB 3.44Å; C830-L833 PolarHBondContact O-N 3.34Å; C830-D834 PolarHBondContact O-N 3.31Å
831	A	52.9	Low	55.8	Low	65 Å²	65	68 Å²	68	54%	0.537	38%	0.376	S	S	.	.	H	α-helix	trans	-62.6	-23.7	173	0	0	0	0	0	113.8	E827 V829	E827-A831 PolarHBondContact O-N 3.27Å; V829-A831 VanDerWaalsContact C-N 3.3Å; V829-A831 PolarHBondContact O-N 3.43Å
832	R	55.2	Low	55.9	Low	178 Å²	178	67.1 Å²	67.1	67%	0.672	37%	0.373	S	S	*	.	H	α-helix	trans	-81.5	-26.9	173.4	-67.3	174.1	70.1	-161.2	0.5	112.7	G828 V829 C830 G835 V836	G828-R832 WeakPolarHBondContact O-CG 3.32Å; V829-R832 WeakPolarHBondContact O-CA 3.46Å; V829-R832 WeakPolarHBondContact O-CB 3.36Å; V829-R832 PolarHBondContact O-N 3.13Å; C830-R832 PolarHBondContact O-N 3.08Å; R832-G835 PolarHBondContact O-N 3.49Å; R832-V836 PolarHBondContact O-N 3.39Å
833	L	54	Low	56	Low	94 Å²	94	68.6 Å²	68.6	49%	0.492	39%	0.386	S	S	.	.	H	α-helix	trans	-67.6	-35.1	172.1	-81.8	154.2	0	0	0	111.9	V829 C830 G835 V836 S837	V829-L833 PolarHBondContact O-N 2.96Å; V829-L833 VanDerWaalsContact O-N 3.13Å; C830-L833 WeakPolarHBondContact O-CB 3.44Å; C830-L833 PolarHBondContact O-N 3.34Å; L833-G835 VanDerWaalsContact C-N 3.3Å; L833-G835 PolarHBondContact O-N 3.4Å; L833-V836 WeakPolarHBondContact O-CA 3.47Å; L833-V836 WeakPolarHBondContact O-CB 3.26Å; L833-V836 PolarHBondContact O-N 3.44Å; L833-S837 PolarHBondContact O-N 3.37Å
834	D	51.3	Low	55.8	Low	69 Å²	69	71.1 Å²	71.1	37%	0.369	40%	0.396	S	S	.	.	H	α-helix	trans	-62	-37.9	172.1	-73.6	-19.4	0	0	0	111.8	R421 C830 V836 S837 D838	R421-D834 IonicContact CZ-OD1 3.24Å; R421-D834 IonicContact NE-OD1 2.63Å; R421-D834 PolarHBondContact NE-OD1 3.15Å; R421-D834 IonicContact NH2-OD1 3.37Å; R421-D834 PolarHBondContact NH2-OD1 3.14Å; R421-D834 IonicContact NH2-OD2 2.74Å; R421-D834 PolarHBondContact NH2-OD2 3.22Å; C830-D834 PolarHBondContact O-N 3.31Å; D834-V836 PolarHBondContact O-N 3.14Å; D834-S837 PolarHBondContact O-N 2.65Å; D834-D838 WeakPolarHBondContact O-CB 3.39Å; D834-D838 PolarHBondContact O-N 3.01Å
835	G	55.1	Low	55.9	Low	38 Å²	38	74.6 Å²	74.6	39%	0.392	40%	0.404	S	S	.	.	H	α-helix	trans	-65.6	-23.2	171.6	0	0	0	0	0	114.3	R832 L833 S839	R832-G835 PolarHBondContact O-N 3.49Å; L833-G835 VanDerWaalsContact C-N 3.3Å; L833-G835 PolarHBondContact O-N 3.4Å; G835-S839 WeakPolarHBondContact O-CB 3.13Å; G835-S839 PolarHBondContact O-N 3.04Å; G835-S839 PolarHBondContact O-OG 3.38Å
836	V	55.9	Low	56.2	Low	42 Å²	42	69.2 Å²	69.2	26%	0.255	39%	0.391	S	S	.	.	H	α-helix	trans	-76.6	-44.5	172	167.9	0	0	0	0	110.8	F351 R832 L833 D834 D838 S839 I840	F351-V836 HydrophobicContact CD1-CG1 3.84Å; F351-V836 HydrophobicContact CD1-CG2 4.42Å; F351-V836 HydrophobicContact CD2-CG1 4.4Å; F351-V836 HydrophobicContact CE1-CG1 3.43Å; F351-V836 VanDerWaalsContact CE1-CG1 3.43Å; F351-V836 HydrophobicContact CE2-CG1 4.04Å; F351-V836 HydrophobicContact CG-CG1 4.32Å; F351-V836 HydrophobicContact CZ-CG1 3.55Å; R832-V836 PolarHBondContact O-N 3.39Å; L833-V836 WeakPolarHBondContact O-CA 3.47Å; L833-V836 WeakPolarHBondContact O-CB 3.26Å; L833-V836 PolarHBondContact O-N 3.44Å; D834-V836 PolarHBondContact O-N 3.14Å; V836-D838 VanDerWaalsContact C-N 3.33Å; V836-D838 PolarHBondContact O-N 3.32Å; V836-S839 WeakPolarHBondContact O-CA 3.43Å; V836-S839 WeakPolarHBondContact O-CB 3.23Å; V836-S839 PolarHBondContact O-N 3.13Å; V836-S839 VanDerWaalsContact O-N 3.08Å; V836-I840 HydrophobicContact CG1-CD1 3.99Å; V836-I840 HydrophobicContact CG1-CG1 4.48Å; V836-I840 WeakPolarHBondContact O-CG1 3.32Å; V836-I840 PolarHBondContact O-N 3.12Å
837	S	51.5	Low	56.4	Low	26 Å²	26	74.2 Å²	74.2	18%	0.182	42%	0.417	C	S	.	.	H	α-helix	trans	-57	-45.5	172.8	176.7	0	0	0	0	112.1	E417 L833 D834 S839 I840 S841	E417-S837 WeakPolarHBondContact OE1-CB 3.43Å; E417-S837 PolarHBondContact OE1-OG 3.33Å; L833-S837 PolarHBondContact O-N 3.37Å; D834-S837 PolarHBondContact O-N 2.65Å; S837-S839 PolarHBondContact O-N 3.14Å; S837-I840 PolarHBondContact O-N 3.31Å; S837-S841 WeakPolarHBondContact O-CB 3.24Å; S837-S841 PolarHBondContact O-N 3.34Å; S837-S841 PolarHBondContact O-OG 3.48Å
838	D	54.9	Low	56.4	Low	86 Å²	86	73.3 Å²	73.3	46%	0.46	42%	0.416	S	S	.	.	H	α-helix	trans	-64.7	-27.4	177.1	-167.1	42.5	0	0	0	112.2	D834 V836 K842	D834-D838 WeakPolarHBondContact O-CB 3.39Å; D834-D838 PolarHBondContact O-N 3.01Å; V836-D838 VanDerWaalsContact C-N 3.33Å; V836-D838 PolarHBondContact O-N 3.32Å; D838-K842 VanDerWaalsContact CG-NZ 3.27Å; D838-K842 VanDerWaalsContact O-CD 3.25Å; D838-K842 WeakPolarHBondContact O-CD 3.47Å; D838-K842 VanDerWaalsContact O-CE 3.28Å; D838-K842 WeakPolarHBondContact O-CE 3.49Å; D838-K842 VanDerWaalsContact O-CG 3.31Å; D838-K842 WeakPolarHBondContact O-CG 3.49Å; D838-K842 PolarHBondContact O-N 3.4Å; D838-K842 IonicContact OD1-NZ 2.99Å; D838-K842 WeakPolarHBondContact OD2-CE 3.34Å; D838-K842 IonicContact OD2-NZ 4Å; D838-K842 PolarHBondContact OD2-NZ 3.39Å
839	S	56.5	Low	56.8	Low	49 Å²	49	78.6 Å²	78.6	34%	0.343	43%	0.43	S	S	.	.	H	α-helix	trans	-77.8	-41.2	172.9	-60.5	0	0	0	0	112.8	G835 V836 S837 S841 K842 V843	G835-S839 WeakPolarHBondContact O-CB 3.13Å; G835-S839 PolarHBondContact O-N 3.04Å; G835-S839 PolarHBondContact O-OG 3.38Å; V836-S839 WeakPolarHBondContact O-CA 3.43Å; V836-S839 WeakPolarHBondContact O-CB 3.23Å; V836-S839 PolarHBondContact O-N 3.13Å; V836-S839 VanDerWaalsContact O-N 3.08Å; S837-S839 PolarHBondContact O-N 3.14Å; S839-S841 VanDerWaalsContact C-N 3.28Å; S839-S841 PolarHBondContact O-N 3.35Å; S839-K842 PolarHBondContact O-N 3.02Å; S839-V843 WeakPolarHBondContact O-CG2 3.5Å; S839-V843 PolarHBondContact O-N 3.06Å; S839-V843 VanDerWaalsContact O-N 3.07Å
840	I	58.1	Low	57	Low	54 Å²	54	83.9 Å²	83.9	28%	0.277	45%	0.451	S	S	.	.	H	α-helix	trans	-60.1	-41.8	173.1	-67.3	165.2	0	0	0	110.2	F351 V836 S837 K842 V843 K844	F351-I840 HydrophobicContact CE2-CD1 4.02Å; F351-I840 HydrophobicContact CE2-CG1 4.43Å; F351-I840 HydrophobicContact CZ-CD1 3.76Å; F351-I840 HydrophobicContact CZ-CG1 3.74Å; V836-I840 HydrophobicContact CG1-CD1 3.99Å; V836-I840 HydrophobicContact CG1-CG1 4.48Å; V836-I840 WeakPolarHBondContact O-CG1 3.32Å; V836-I840 PolarHBondContact O-N 3.12Å; S837-I840 PolarHBondContact O-N 3.31Å; I840-K842 VanDerWaalsContact C-N 3.35Å; I840-K842 PolarHBondContact O-N 2.98Å; I840-V843 PolarHBondContact O-N 3.35Å; I840-K844 WeakPolarHBondContact O-CB 3.27Å; I840-K844 PolarHBondContact O-N 3.05Å
841	S	56.4	Low	57.2	Low	52 Å²	52	85.5 Å²	85.5	36%	0.364	46%	0.456	S	S	.	.	H	α-helix	trans	-60.4	-41.2	177.3	-65.9	0	0	0	0	112.5	S837 S839 K844 E845	S837-S841 WeakPolarHBondContact O-CB 3.24Å; S837-S841 PolarHBondContact O-N 3.34Å; S837-S841 PolarHBondContact O-OG 3.48Å; S839-S841 VanDerWaalsContact C-N 3.28Å; S839-S841 PolarHBondContact O-N 3.35Å; S841-K844 WeakPolarHBondContact O-CB 3.4Å; S841-K844 PolarHBondContact O-N 3.21Å; S841-E845 PolarHBondContact O-N 3.3Å
842	K	61.6	Low	57.7	Low	113 Å²	113	86 Å²	86	49%	0.491	46%	0.455	S	S	.	.	H	α-helix	trans	-69.3	-36.8	175.9	-69	159.6	-162.4	166.1	0	112.8	D838 S839 I840 E845 G846	D838-K842 VanDerWaalsContact CG-NZ 3.27Å; D838-K842 VanDerWaalsContact O-CD 3.25Å; D838-K842 WeakPolarHBondContact O-CD 3.47Å; D838-K842 VanDerWaalsContact O-CE 3.28Å; D838-K842 WeakPolarHBondContact O-CE 3.49Å; D838-K842 VanDerWaalsContact O-CG 3.31Å; D838-K842 WeakPolarHBondContact O-CG 3.49Å; D838-K842 PolarHBondContact O-N 3.4Å; D838-K842 IonicContact OD1-NZ 2.99Å; D838-K842 WeakPolarHBondContact OD2-CE 3.34Å; D838-K842 IonicContact OD2-NZ 4Å; D838-K842 PolarHBondContact OD2-NZ 3.39Å; S839-K842 PolarHBondContact O-N 3.02Å; I840-K842 VanDerWaalsContact C-N 3.35Å; I840-K842 PolarHBondContact O-N 2.98Å; K842-E845 PolarHBondContact O-N 3.07Å; K842-G846 PolarHBondContact O-N 2.99Å
843	V	59.6	Low	58.2	Low	78 Å²	78	79 Å²	79	47%	0.473	44%	0.44	S	S	.	.	H	α-helix	trans	-63.4	-42.1	172.5	172.1	0	0	0	0	110.9	S839 I840 G846 L847	S839-V843 WeakPolarHBondContact O-CG2 3.5Å; S839-V843 PolarHBondContact O-N 3.06Å; S839-V843 VanDerWaalsContact O-N 3.07Å; I840-V843 PolarHBondContact O-N 3.35Å; V843-G846 PolarHBondContact O-N 2.94Å; V843-L847 PolarHBondContact O-N 3.23Å
844	K	53.9	Low	58.8	Low	102 Å²	102	80.1 Å²	80.1	44%	0.443	45%	0.445	S	S	.	.	H	α-helix	trans	-61	-44.1	175.3	171.3	-175.9	178.9	-175.4	0	112.5	L410 I840 S841 N848	L410-K844 HydrophobicContact CD2-CD 3.74Å; L410-K844 HydrophobicContact CD2-CG 3.97Å; I840-K844 WeakPolarHBondContact O-CB 3.27Å; I840-K844 PolarHBondContact O-N 3.05Å; S841-K844 WeakPolarHBondContact O-CB 3.4Å; S841-K844 PolarHBondContact O-N 3.21Å; K844-N848 PolarHBondContact O-N 3.36Å; K844-N848 VanDerWaalsContact O-N 3.12Å
845	E	61.8	Low	59.4	Low	139 Å²	139	81.5 Å²	81.5	65%	0.65	45%	0.445	S	S	*	.	H	α-helix	trans	-64.1	-45.6	174.2	-73.4	-166.9	129.2	0	0	112.2	S841 K842 L847 N848 H849	S841-E845 PolarHBondContact O-N 3.3Å; K842-E845 PolarHBondContact O-N 3.07Å; E845-L847 VanDerWaalsContact C-N 3.32Å; E845-L847 PolarHBondContact O-N 3.24Å; E845-N848 PolarHBondContact O-N 3.1Å; E845-H849 WeakPolarHBondContact O-CB 3.45Å; E845-H849 PolarHBondContact O-N 3.39Å
846	G	62.5	Low	59.7	Low	36 Å²	36	83.3 Å²	83.3	37%	0.371	45%	0.452	S	S	.	.	H	α-helix	trans	-57.8	-42.1	176.5	0	0	0	0	0	113	K842 V843 H849 H850	K842-G846 PolarHBondContact O-N 2.99Å; V843-G846 PolarHBondContact O-N 2.94Å; G846-H849 PolarHBondContact O-N 3.15Å; G846-H850 PolarHBondContact O-N 2.96Å
847	L	60.2	Low	60	Low	122 Å²	122	88.3 Å²	88.3	64%	0.639	47%	0.472	S	S	*	.	H	α-helix	trans	-63.6	-46.5	176.6	-137.3	81.8	0	0	0	111.9	V843 E845 H849 H850 M851	V843-L847 PolarHBondContact O-N 3.23Å; E845-L847 VanDerWaalsContact C-N 3.32Å; E845-L847 PolarHBondContact O-N 3.24Å; L847-H849 VanDerWaalsContact C-N 3.28Å; L847-H849 PolarHBondContact O-N 3.45Å; L847-H850 PolarHBondContact O-N 3.13Å; L847-M851 WeakPolarHBondContact O-CB 3.46Å; L847-M851 PolarHBondContact O-N 3.05Å
848	N	56.6	Low	60.8	Low	76 Å²	76	89.5 Å²	89.5	41%	0.406	48%	0.478	S	S	.	.	H	α-helix	trans	-58.8	-39	174.1	-91.9	-15	0	0	0	112	K844 E845 M851 S852	K844-N848 PolarHBondContact O-N 3.36Å; K844-N848 VanDerWaalsContact O-N 3.12Å; E845-N848 PolarHBondContact O-N 3.1Å; N848-M851 PolarHBondContact O-N 3.36Å; N848-S852 WeakPolarHBondContact O-CB 3.44Å; N848-S852 PolarHBondContact O-N 3Å; N848-S852 PolarHBondContact O-OG 2.9Å
849	H	65.8	Low	61.1	Low	147 Å²	147	88.6 Å²	88.6	68%	0.681	48%	0.479	S	S	*	.	H	α-helix	trans	-69.4	-39.8	-179.1	-142.5	-38	0	0	0	111.9	E845 G846 L847 G853	E845-H849 WeakPolarHBondContact O-CB 3.45Å; E845-H849 PolarHBondContact O-N 3.39Å; G846-H849 PolarHBondContact O-N 3.15Å; L847-H849 VanDerWaalsContact C-N 3.28Å; L847-H849 PolarHBondContact O-N 3.45Å; H849-G853 PolarHBondContact O-N 3.2Å
850	H	60.4	Low	61.8	Low	156 Å²	156	87.9 Å²	87.9	72%	0.722	48%	0.479	S	S	*	.	H	α-helix	trans	-66	-44.7	172.6	-82.5	-152.4	0	0	0	112.1	G846 L847 S852 G853 L854	G846-H850 PolarHBondContact O-N 2.96Å; L847-H850 PolarHBondContact O-N 3.13Å; H850-S852 VanDerWaalsContact C-N 3.33Å; H850-S852 PolarHBondContact O-N 2.99Å; H850-G853 PolarHBondContact O-N 3.43Å; H850-L854 PolarHBondContact O-N 3.4Å
851	M	57	Low	62.3	Low	73 Å²	73	91.2 Å²	91.2	36%	0.36	50%	0.497	S	S	.	.	H	α-helix	trans	-60.9	-41.9	177.3	-169.6	160.6	-122	0	0	111.6	E402 L847 N848 L854 W855	E402-M851 HydrophobicContact CB-CE 3.98Å; E402-M851 HydrophobicContact CG-CE 3.63Å; E402-M851 HydrophobicContact CG-SD 4.18Å; L847-M851 WeakPolarHBondContact O-CB 3.46Å; L847-M851 PolarHBondContact O-N 3.05Å; N848-M851 PolarHBondContact O-N 3.36Å; M851-L854 PolarHBondContact O-N 3.08Å; M851-W855 PolarHBondContact O-N 2.64Å
852	S	64	Low	62.7	Low	75 Å²	75	93 Å²	93	52%	0.524	50%	0.503	S	S	.	.	H	α-helix	trans	-63.2	-42.2	173.6	-57.2	0	0	0	0	112.5	N848 H850 L854 W855 S856	N848-S852 WeakPolarHBondContact O-CB 3.44Å; N848-S852 PolarHBondContact O-N 3Å; N848-S852 PolarHBondContact O-OG 2.9Å; H850-S852 VanDerWaalsContact C-N 3.33Å; H850-S852 PolarHBondContact O-N 2.99Å; S852-L854 VanDerWaalsContact C-N 3.32Å; S852-L854 PolarHBondContact O-N 2.89Å; S852-W855 PolarHBondContact O-N 3Å; S852-S856 PolarHBondContact O-N 2.89Å
853	G	64.7	Low	63	Low	33 Å²	33	93.4 Å²	93.4	34%	0.34	51%	0.506	S	S	.	.	H	α-helix	trans	-63.4	-36.3	175.3	0	0	0	0	0	113.1	H849 H850 S856 H857	H849-G853 PolarHBondContact O-N 3.2Å; H850-G853 PolarHBondContact O-N 3.43Å; G853-S856 WeakPolarHBondContact O-CB 3.49Å; G853-S856 PolarHBondContact O-N 3.43Å; G853-H857 PolarHBondContact O-N 2.99Å; G853-H857 PolarHBondContact O-ND1 3.34Å
854	L	67.3	Low	63.6	Low	116 Å²	116	92.4 Å²	92.4	61%	0.607	50%	0.502	S	S	*	.	H	α-helix	trans	-73.1	-40.8	177.4	-160.4	146.1	0	0	0	111.5	H850 M851 S852 S856 H857 V858	H850-L854 PolarHBondContact O-N 3.4Å; M851-L854 PolarHBondContact O-N 3.08Å; S852-L854 VanDerWaalsContact C-N 3.32Å; S852-L854 PolarHBondContact O-N 2.89Å; L854-S856 VanDerWaalsContact C-N 3.28Å; L854-S856 PolarHBondContact O-N 3.4Å; L854-H857 PolarHBondContact O-N 3.49Å; L854-H857 VanDerWaalsContact O-N 3.15Å; L854-V858 HydrophobicContact CD2-CG2 4.16Å; L854-V858 WeakPolarHBondContact O-CG2 3.47Å; L854-V858 PolarHBondContact O-N 2.98Å
855	W	63	Low	64.3	Low	99 Å²	99	93.5 Å²	93.5	38%	0.375	51%	0.512	S	S	.	.	H	α-helix	trans	-58.8	-35.8	170.4	-90.2	114	0	0	0	113.2	K399 E402 M851 S852 V858 S859	K399-W855 HydrophobicContact CG-CZ2 4.38Å; E402-W855 PolarHBondContact OE1-NE1 3.49Å; E402-W855 WeakPolarHBondContact OE2-CZ2 3.42Å; M851-W855 PolarHBondContact O-N 2.64Å; S852-W855 PolarHBondContact O-N 3Å; W855-V858 HydrophobicContact CE3-CB 4.46Å; W855-V858 HydrophobicContact CE3-CG1 4.34Å; W855-V858 HydrophobicContact CZ3-CG1 4.25Å; W855-V858 PolarHBondContact O-N 3.01Å; W855-S859 PolarHBondContact O-N 3.44Å; W855-S859 PolarHBondContact O-OG 3.21Å
856	S	61.5	Low	64.7	Low	76 Å²	76	91.9 Å²	91.9	53%	0.531	51%	0.507	S	S	.	.	H	α-helix	trans	-62.8	-41.5	173.6	-170	0	0	0	0	112.5	S852 G853 L854 S859 G860	S852-S856 PolarHBondContact O-N 2.89Å; G853-S856 WeakPolarHBondContact O-CB 3.49Å; G853-S856 PolarHBondContact O-N 3.43Å; L854-S856 VanDerWaalsContact C-N 3.28Å; L854-S856 PolarHBondContact O-N 3.4Å; S856-S859 PolarHBondContact O-N 3.45Å; S856-S859 PolarHBondContact O-OG 2.68Å; S856-G860 PolarHBondContact O-N 3.07Å
857	H	62.6	Low	65.1	Low	146 Å²	146	96.1 Å²	96.1	68%	0.676	52%	0.517	S	S	*	.	H	α-helix	trans	-68.2	-38.4	175.3	-73.1	81.6	0	0	0	112.3	G853 L854 G860 L861	G853-H857 PolarHBondContact O-N 2.99Å; G853-H857 PolarHBondContact O-ND1 3.34Å; L854-H857 PolarHBondContact O-N 3.49Å; L854-H857 VanDerWaalsContact O-N 3.15Å; H857-G860 PolarHBondContact O-N 3.06Å; H857-L861 WeakPolarHBondContact O-CG 3.44Å; H857-L861 PolarHBondContact O-N 3.09Å
858	V	67.6	Low	65.4	Low	51 Å²	51	96 Å²	96	31%	0.309	51%	0.513	S	S	.	.	H	α-helix	trans	-65.1	-40.6	175.6	172.8	0	0	0	0	111.6	L854 W855 L861 N862	L854-V858 HydrophobicContact CD2-CG2 4.16Å; L854-V858 WeakPolarHBondContact O-CG2 3.47Å; L854-V858 PolarHBondContact O-N 2.98Å; W855-V858 HydrophobicContact CE3-CB 4.46Å; W855-V858 HydrophobicContact CE3-CG1 4.34Å; W855-V858 HydrophobicContact CZ3-CG1 4.25Å; W855-V858 PolarHBondContact O-N 3.01Å; V858-L861 PolarHBondContact O-N 2.9Å; V858-N862 PolarHBondContact O-N 3.12Å
859	S	62.7	Low	66.1	Low	67 Å²	67	94.2 Å²	94.2	47%	0.469	51%	0.512	S	S	.	.	H	α-helix	trans	-68.8	-38.1	176.4	73.8	0	0	0	0	112.1	W855 S856 N862 Q863	W855-S859 PolarHBondContact O-N 3.44Å; W855-S859 PolarHBondContact O-OG 3.21Å; S856-S859 PolarHBondContact O-N 3.45Å; S856-S859 PolarHBondContact O-OG 2.68Å; S859-N862 WeakPolarHBondContact O-CB 3.44Å; S859-N862 PolarHBondContact O-N 3.06Å; S859-Q863 PolarHBondContact O-N 3.14Å
860	G	69.8	Low	66.4	Low	34 Å²	34	89.2 Å²	89.2	35%	0.351	50%	0.501	S	S	.	.	H	α-helix	trans	-60	-43.2	171.8	0	0	0	0	0	113.2	S856 H857 N862 Q863 S864	S856-G860 PolarHBondContact O-N 3.07Å; H857-G860 PolarHBondContact O-N 3.06Å; G860-N862 VanDerWaalsContact C-N 3.34Å; G860-N862 PolarHBondContact O-N 3.03Å; G860-Q863 WeakPolarHBondContact O-CB 3.41Å; G860-Q863 PolarHBondContact O-N 3.12Å; G860-S864 PolarHBondContact O-N 3.23Å; G860-S864 PolarHBondContact O-OG 3.21Å
861	L	69.3	Low	67.1	Low	125 Å²	125	86.7 Å²	86.7	65%	0.654	49%	0.492	S	S	*	.	H	α-helix	trans	-63.4	-38.5	174.2	-74.3	169.4	0	0	0	112.4	H857 V858 S864 L865	H857-L861 WeakPolarHBondContact O-CG 3.44Å; H857-L861 PolarHBondContact O-N 3.09Å; V858-L861 PolarHBondContact O-N 2.9Å; L861-S864 PolarHBondContact O-N 3.31Å; L861-L865 PolarHBondContact O-N 2.97Å
862	N	64.7	Low	67.8	Low	90 Å²	90	89 Å²	89	48%	0.481	51%	0.505	S	S	.	.	H	α-helix	trans	-64.7	-41.3	174	-170.9	41.2	0	0	0	111.7	V858 S859 G860 S864 L865 I866	V858-N862 PolarHBondContact O-N 3.12Å; S859-N862 WeakPolarHBondContact O-CB 3.44Å; S859-N862 PolarHBondContact O-N 3.06Å; G860-N862 VanDerWaalsContact C-N 3.34Å; G860-N862 PolarHBondContact O-N 3.03Å; N862-S864 VanDerWaalsContact C-N 3.33Å; N862-S864 PolarHBondContact O-N 3.49Å; N862-L865 PolarHBondContact O-N 3.13Å; N862-I866 WeakPolarHBondContact O-CG1 3.49Å; N862-I866 PolarHBondContact O-N 3.07Å
863	Q	68.2	Low	68.1	Low	121 Å²	121	89.1 Å²	89.1	57%	0.565	50%	0.499	S	S	*	.	H	α-helix	trans	-57.6	-45.1	174.5	-158.9	78.7	9.6	0	0	111.4	S859 G860 I866 Q867	S859-Q863 PolarHBondContact O-N 3.14Å; G860-Q863 WeakPolarHBondContact O-CB 3.41Å; G860-Q863 PolarHBondContact O-N 3.12Å; Q863-I866 PolarHBondContact O-N 2.85Å; Q863-Q867 WeakPolarHBondContact O-CG 3.29Å; Q863-Q867 PolarHBondContact O-N 3.06Å
864	S	71.1	Confident	68.5	Low	56 Å²	56	89.8 Å²	89.8	39%	0.392	50%	0.502	S	S	.	.	H	α-helix	trans	-64.1	-40.3	175.2	-60.7	0	0	0	0	112.5	G860 L861 N862 I866 Q867 H868	G860-S864 PolarHBondContact O-N 3.23Å; G860-S864 PolarHBondContact O-OG 3.21Å; L861-S864 PolarHBondContact O-N 3.31Å; N862-S864 VanDerWaalsContact C-N 3.33Å; N862-S864 PolarHBondContact O-N 3.49Å; S864-I866 VanDerWaalsContact C-N 3.35Å; S864-I866 PolarHBondContact O-N 3.49Å; S864-Q867 PolarHBondContact O-N 3.44Å; S864-H868 PolarHBondContact O-CD2 3.19Å; S864-H868 VanDerWaalsContact O-CD2 3.27Å; S864-H868 PolarHBondContact O-N 3.16Å
865	L	70	Confident	68.9	Low	125 Å²	125	88.2 Å²	88.2	65%	0.654	50%	0.497	S	S	*	.	H	α-helix	trans	-63.8	-40.6	177.5	-165.4	71.7	0	0	0	111.6	L861 N862 H868 G869	L861-L865 PolarHBondContact O-N 2.97Å; N862-L865 PolarHBondContact O-N 3.13Å; L865-H868 PolarHBondContact O-N 3.24Å; L865-G869 PolarHBondContact O-N 3.5Å
866	I	69.3	Low	69.3	Low	106 Å²	106	88.9 Å²	88.9	54%	0.544	50%	0.504	S	S	.	.	H	α-helix	trans	-63.7	-41.8	174.4	-67.3	164.4	0	0	0	110.9	N862 Q863 S864 G869 G870	N862-I866 WeakPolarHBondContact O-CG1 3.49Å; N862-I866 PolarHBondContact O-N 3.07Å; Q863-I866 PolarHBondContact O-N 2.85Å; S864-I866 VanDerWaalsContact C-N 3.35Å; S864-I866 PolarHBondContact O-N 3.49Å; I866-G869 PolarHBondContact O-N 3.13Å; I866-G870 PolarHBondContact O-N 3.19Å
867	Q	70.8	Confident	69.9	Low	124 Å²	124	90.2 Å²	90.2	58%	0.579	50%	0.5	S	S	*	.	H	α-helix	trans	-62.2	-44.3	175	-73	176.3	-0.7	0	0	112.2	Q863 S864 G869 G870 I871	Q863-Q867 WeakPolarHBondContact O-CG 3.29Å; Q863-Q867 PolarHBondContact O-N 3.06Å; S864-Q867 PolarHBondContact O-N 3.44Å; Q867-G869 VanDerWaalsContact C-N 3.32Å; Q867-G869 PolarHBondContact O-N 2.9Å; Q867-G870 PolarHBondContact O-N 3.07Å; Q867-I871 WeakPolarHBondContact O-CG1 3.48Å; Q867-I871 PolarHBondContact O-N 2.71Å; Q867-I871 VanDerWaalsContact O-N 3.09Å
868	H	66.7	Low	70.6	Confident	121 Å²	121	87.2 Å²	87.2	56%	0.56	49%	0.489	S	S	*	.	H	α-helix	trans	-62.7	-36.8	173.3	-81.8	-71.4	0	0	0	112.7	S864 L865 I871 L872	S864-H868 PolarHBondContact O-CD2 3.19Å; S864-H868 VanDerWaalsContact O-CD2 3.27Å; S864-H868 PolarHBondContact O-N 3.16Å; L865-H868 PolarHBondContact O-N 3.24Å; H868-I871 PolarHBondContact O-N 3.29Å; H868-L872 WeakPolarHBondContact O-CG 3.19Å; H868-L872 PolarHBondContact O-N 3.48Å
869	G	71.2	Confident	70.7	Confident	37 Å²	37	90.5 Å²	90.5	38%	0.381	50%	0.501	S	S	.	.	H	α-helix	trans	-60.6	-43.5	171.9	0	0	0	0	0	113.1	L865 I866 Q867 I871 L872 D873	L865-G869 PolarHBondContact O-N 3.5Å; I866-G869 PolarHBondContact O-N 3.13Å; Q867-G869 VanDerWaalsContact C-N 3.32Å; Q867-G869 PolarHBondContact O-N 2.9Å; G869-I871 VanDerWaalsContact C-N 3.33Å; G869-I871 PolarHBondContact O-N 3.15Å; G869-L872 PolarHBondContact O-N 3.47Å; G869-D873 PolarHBondContact O-N 3.4Å
870	G	72.3	Confident	71.2	Confident	43 Å²	43	92.3 Å²	92.3	44%	0.443	50%	0.502	S	S	.	.	H	α-helix	trans	-63.5	-35.6	175.1	0	0	0	0	0	113.6	I866 Q867 A874	I866-G870 PolarHBondContact O-N 3.19Å; Q867-G870 PolarHBondContact O-N 3.07Å; G870-A874 WeakPolarHBondContact O-CB 3.41Å; G870-A874 PolarHBondContact O-N 3.08Å
871	I	74.9	Confident	71.4	Confident	103 Å²	103	98.8 Å²	98.8	53%	0.528	52%	0.516	S	S	.	.	H	α-helix	trans	-66.4	-41.6	173.3	-66.4	165.6	0	0	0	110.7	Q867 H868 G869 A874 V875	Q867-I871 WeakPolarHBondContact O-CG1 3.48Å; Q867-I871 PolarHBondContact O-N 2.71Å; Q867-I871 VanDerWaalsContact O-N 3.09Å; H868-I871 PolarHBondContact O-N 3.29Å; G869-I871 VanDerWaalsContact C-N 3.33Å; G869-I871 PolarHBondContact O-N 3.15Å; I871-A874 PolarHBondContact O-N 3.46Å; I871-V875 WeakPolarHBondContact O-CG2 3.39Å; I871-V875 PolarHBondContact O-N 3.42Å
872	L	72.7	Confident	71.7	Confident	121 Å²	121	97.1 Å²	97.1	63%	0.634	51%	0.511	S	S	*	.	H	α-helix	trans	-64.7	-42.3	176.9	-74.9	164.8	0	0	0	112.4	H868 G869 A874 V875 Q876	H868-L872 WeakPolarHBondContact O-CG 3.19Å; H868-L872 PolarHBondContact O-N 3.48Å; G869-L872 PolarHBondContact O-N 3.47Å; L872-A874 VanDerWaalsContact C-N 3.34Å; L872-A874 PolarHBondContact O-N 2.9Å; L872-V875 WeakPolarHBondContact O-CB 3.36Å; L872-V875 PolarHBondContact O-N 3.39Å; L872-Q876 PolarHBondContact O-N 3.08Å
873	D	70.6	Confident	71.9	Confident	77 Å²	77	97.6 Å²	97.6	41%	0.412	51%	0.51	S	S	.	.	H	α-helix	trans	-62.7	-38.6	173.9	174.9	65.4	0	0	0	112.2	G869 Q876 K877	G869-D873 PolarHBondContact O-N 3.4Å; D873-Q876 PolarHBondContact O-N 3.44Å; D873-K877 WeakPolarHBondContact O-CB 3.41Å; D873-K877 WeakPolarHBondContact O-CG 3.19Å; D873-K877 PolarHBondContact O-N 3Å; D873-K877 IonicContact OD1-NZ 2.69Å; D873-K877 PolarHBondContact OD1-NZ 2.66Å; D873-K877 IonicContact OD2-NZ 2.62Å; D873-K877 PolarHBondContact OD2-NZ 3.44Å
874	A	72.8	Confident	72.2	Confident	47 Å²	47	95 Å²	95	39%	0.388	51%	0.506	S	S	.	.	H	α-helix	trans	-65.5	-36.1	173	0	0	0	0	0	112.8	G870 I871 L872 N878	G870-A874 WeakPolarHBondContact O-CB 3.41Å; G870-A874 PolarHBondContact O-N 3.08Å; I871-A874 PolarHBondContact O-N 3.46Å; L872-A874 VanDerWaalsContact C-N 3.34Å; L872-A874 PolarHBondContact O-N 2.9Å; A874-N878 PolarHBondContact O-N 3.3Å; A874-N878 VanDerWaalsContact O-N 3.16Å; A874-N878 PolarHBondContact O-ND2 3.28Å
875	V	74.8	Confident	72.4	Confident	83 Å²	83	101.3 Å²	101.3	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-66.1	-45.9	171.9	170	0	0	0	0	110.6	I871 L872 N878 Q879	I871-V875 WeakPolarHBondContact O-CG2 3.39Å; I871-V875 PolarHBondContact O-N 3.42Å; L872-V875 WeakPolarHBondContact O-CB 3.36Å; L872-V875 PolarHBondContact O-N 3.39Å; V875-N878 PolarHBondContact O-N 2.88Å; V875-N878 VanDerWaalsContact O-N 3.13Å; V875-Q879 PolarHBondContact O-N 3.21Å
876	Q	72.3	Confident	72.8	Confident	113 Å²	113	99.6 Å²	99.6	53%	0.528	52%	0.515	S	S	.	.	H	α-helix	trans	-64.1	-44.1	-179.8	-174.1	165.1	-36.5	0	0	112.2	L872 D873 N878 Q879 E880	L872-Q876 PolarHBondContact O-N 3.08Å; D873-Q876 PolarHBondContact O-N 3.44Å; Q876-N878 VanDerWaalsContact C-N 3.26Å; Q876-N878 PolarHBondContact O-N 3.28Å; Q876-Q879 CarbonylContact O-C 3.59Å; Q876-Q879 WeakPolarHBondContact O-CA 3.3Å; Q876-Q879 WeakPolarHBondContact O-CB 3.41Å; Q876-Q879 PolarHBondContact O-N 3.33Å; Q876-Q879 VanDerWaalsContact O-N 3.08Å; Q876-E880 WeakPolarHBondContact O-CG 3.38Å; Q876-E880 PolarHBondContact O-N 3.07Å
877	K	74.4	Confident	73	Confident	105 Å²	105	101 Å²	101	46%	0.457	52%	0.518	S	S	.	.	H	α-helix	trans	-60.8	-33.1	172.7	-77	175.1	168.2	98.5	0	112.8	D873 R881	D873-K877 WeakPolarHBondContact O-CB 3.41Å; D873-K877 WeakPolarHBondContact O-CG 3.19Å; D873-K877 PolarHBondContact O-N 3Å; D873-K877 IonicContact OD1-NZ 2.69Å; D873-K877 PolarHBondContact OD1-NZ 2.66Å; D873-K877 IonicContact OD2-NZ 2.62Å; D873-K877 PolarHBondContact OD2-NZ 3.44Å; K877-R881 VanDerWaalsContact O-CG 3.28Å; K877-R881 WeakPolarHBondContact O-CG 3.26Å; K877-R881 PolarHBondContact O-N 3.34Å
878	N	76	Confident	73.1	Confident	83 Å²	83	98.3 Å²	98.3	44%	0.444	51%	0.512	S	S	.	.	H	α-helix	trans	-73.4	-36.4	172.5	-77.4	-50.5	0	0	0	112.5	A874 V875 Q876 E880 R881 V882	A874-N878 PolarHBondContact O-N 3.3Å; A874-N878 VanDerWaalsContact O-N 3.16Å; A874-N878 PolarHBondContact O-ND2 3.28Å; V875-N878 PolarHBondContact O-N 2.88Å; V875-N878 VanDerWaalsContact O-N 3.13Å; Q876-N878 VanDerWaalsContact C-N 3.26Å; Q876-N878 PolarHBondContact O-N 3.28Å; N878-E880 VanDerWaalsContact C-N 3.33Å; N878-R881 PolarHBondContact O-N 3.33Å; N878-R881 PolarHBondContact OD1-NH1 3.41Å; N878-V882 WeakPolarHBondContact O-CG2 3.32Å; N878-V882 PolarHBondContact O-N 2.99Å
879	Q	71	Confident	73.4	Confident	119 Å²	119	98.2 Å²	98.2	56%	0.556	52%	0.515	S	S	*	.	H	α-helix	trans	-62.7	-39.4	171.5	-176.6	172.1	-16.6	0	0	111.7	V875 Q876 V882 Q883	V875-Q879 PolarHBondContact O-N 3.21Å; Q876-Q879 CarbonylContact O-C 3.59Å; Q876-Q879 WeakPolarHBondContact O-CA 3.3Å; Q876-Q879 WeakPolarHBondContact O-CB 3.41Å; Q876-Q879 PolarHBondContact O-N 3.33Å; Q876-Q879 VanDerWaalsContact O-N 3.08Å; Q879-V882 PolarHBondContact O-N 2.98Å; Q879-Q883 PolarHBondContact O-N 3.29Å
880	E	73.3	Confident	73.6	Confident	105 Å²	105	101 Å²	101	49%	0.491	52%	0.521	S	S	.	.	H	α-helix	trans	-65.4	-40.2	172.5	-72.4	172.5	-168.7	0	0	112.2	Q876 N878 V882 Q883 S884	Q876-E880 WeakPolarHBondContact O-CG 3.38Å; Q876-E880 PolarHBondContact O-N 3.07Å; N878-E880 VanDerWaalsContact C-N 3.33Å; E880-V882 VanDerWaalsContact C-N 3.34Å; E880-V882 PolarHBondContact O-N 3.05Å; E880-Q883 PolarHBondContact O-N 3.16Å; E880-S884 WeakPolarHBondContact O-CB 3.49Å; E880-S884 PolarHBondContact O-N 3.37Å; E880-S884 PolarHBondContact O-OG 3.22Å
881	R	73	Confident	73.5	Confident	170 Å²	170	102 Å²	102	64%	0.642	52%	0.522	S	S	*	.	H	α-helix	trans	-65.5	-33	172.2	-72.1	172.3	79.9	-154.6	10.5	113	K877 N878 S884 R885	K877-R881 VanDerWaalsContact O-CG 3.28Å; K877-R881 WeakPolarHBondContact O-CG 3.26Å; K877-R881 PolarHBondContact O-N 3.34Å; N878-R881 PolarHBondContact O-N 3.33Å; N878-R881 PolarHBondContact OD1-NH1 3.41Å; R881-S884 PolarHBondContact O-OG 3.38Å; R881-S884 VanDerWaalsContact O-OG 3.12Å; R881-R885 WeakPolarHBondContact O-CG 3.2Å; R881-R885 PolarHBondContact O-N 3.02Å; R881-R885 VanDerWaalsContact O-N 3.11Å
882	V	75.9	Confident	73.4	Confident	91 Å²	91	100.2 Å²	100.2	55%	0.552	52%	0.518	S	S	*	.	H	α-helix	trans	-69	-46.4	171.5	170.6	0	0	0	0	110	N878 Q879 E880 S884 R885 V886	N878-V882 WeakPolarHBondContact O-CG2 3.32Å; N878-V882 PolarHBondContact O-N 2.99Å; Q879-V882 PolarHBondContact O-N 2.98Å; E880-V882 VanDerWaalsContact C-N 3.34Å; E880-V882 PolarHBondContact O-N 3.05Å; V882-S884 VanDerWaalsContact C-N 3.34Å; V882-S884 PolarHBondContact O-N 2.98Å; V882-R885 PolarHBondContact O-N 3.03Å; V882-V886 HydrophobicContact CG1-CG2 4.47Å; V882-V886 WeakPolarHBondContact O-CG2 3.49Å; V882-V886 PolarHBondContact O-N 2.87Å
883	Q	69.1	Low	73.1	Confident	99 Å²	99	99.8 Å²	99.8	46%	0.463	52%	0.516	S	S	.	.	H	α-helix	trans	-62.9	-35.7	176.1	-75.2	-163.9	17	0	0	113.2	Q879 E880 V886 K887	Q879-Q883 PolarHBondContact O-N 3.29Å; E880-Q883 PolarHBondContact O-N 3.16Å; Q883-V886 PolarHBondContact O-N 3.49Å; Q883-K887 WeakPolarHBondContact O-CB 3.41Å; Q883-K887 VanDerWaalsContact O-CG 3.29Å; Q883-K887 WeakPolarHBondContact O-CG 3.16Å; Q883-K887 PolarHBondContact O-N 2.94Å
884	S	73.5	Confident	72.8	Confident	68 Å²	68	99.4 Å²	99.4	48%	0.476	52%	0.516	S	S	.	.	H	α-helix	trans	-70.7	-36.5	176.1	71.7	0	0	0	0	111.8	E880 R881 V882 K887 S888	E880-S884 WeakPolarHBondContact O-CB 3.49Å; E880-S884 PolarHBondContact O-N 3.37Å; E880-S884 PolarHBondContact O-OG 3.22Å; R881-S884 PolarHBondContact O-OG 3.38Å; R881-S884 VanDerWaalsContact O-OG 3.12Å; V882-S884 VanDerWaalsContact C-N 3.34Å; V882-S884 PolarHBondContact O-N 2.98Å; S884-K887 PolarHBondContact O-N 2.74Å; S884-S888 VanDerWaalsContact O-CB 3.25Å; S884-S888 WeakPolarHBondContact O-CB 3.46Å; S884-S888 PolarHBondContact O-N 3.21Å
885	R	76.9	Confident	72.1	Confident	188 Å²	188	102.9 Å²	102.9	71%	0.709	53%	0.525	S	S	*	.	H	α-helix	trans	-65.4	-38.4	169.5	-73.2	-176.6	72.7	-173.5	2.5	112.7	R881 V882 S888 L889	R881-R885 WeakPolarHBondContact O-CG 3.2Å; R881-R885 PolarHBondContact O-N 3.02Å; R881-R885 VanDerWaalsContact O-N 3.11Å; V882-R885 PolarHBondContact O-N 3.03Å; R885-S888 PolarHBondContact O-N 2.8Å; R885-L889 WeakPolarHBondContact O-CB 3.27Å; R885-L889 WeakPolarHBondContact O-CG 3.43Å; R885-L889 PolarHBondContact O-N 2.94Å
886	V	77.6	Confident	71.6	Confident	88 Å²	88	104 Å²	104	53%	0.533	53%	0.531	S	S	.	.	H	α-helix	trans	-67.1	-43	174.1	170.3	0	0	0	0	111.2	V882 Q883 S888 L889 N890	V882-V886 HydrophobicContact CG1-CG2 4.47Å; V882-V886 WeakPolarHBondContact O-CG2 3.49Å; V882-V886 PolarHBondContact O-N 2.87Å; Q883-V886 PolarHBondContact O-N 3.49Å; V886-S888 VanDerWaalsContact C-N 3.33Å; V886-S888 PolarHBondContact O-N 3.1Å; V886-L889 PolarHBondContact O-N 2.57Å; V886-N890 VanDerWaalsContact O-CB 3.31Å; V886-N890 WeakPolarHBondContact O-CB 3.26Å; V886-N890 PolarHBondContact O-N 3.01Å
887	K	73.8	Confident	70.7	Confident	137 Å²	137	105.5 Å²	105.5	60%	0.596	54%	0.538	S	S	*	.	H	α-helix	trans	-62.9	-38.8	173.3	-74.8	169.7	-179.8	171.5	0	111.8	Q883 S884 N890 S891	Q883-K887 WeakPolarHBondContact O-CB 3.41Å; Q883-K887 VanDerWaalsContact O-CG 3.29Å; Q883-K887 WeakPolarHBondContact O-CG 3.16Å; Q883-K887 PolarHBondContact O-N 2.94Å; S884-K887 PolarHBondContact O-N 2.74Å; K887-N890 PolarHBondContact O-N 3.18Å; K887-S891 PolarHBondContact O-N 3.47Å; K887-S891 PolarHBondContact O-OG 3.24Å
888	S	71.4	Confident	69.6	Low	66 Å²	66	108.1 Å²	108.1	46%	0.462	55%	0.55	S	S	.	.	H	α-helix	trans	-64.2	-50.4	174.6	175.7	0	0	0	0	111.6	S884 R885 V886 N890 S891 S892	S884-S888 VanDerWaalsContact O-CB 3.25Å; S884-S888 WeakPolarHBondContact O-CB 3.46Å; S884-S888 PolarHBondContact O-N 3.21Å; R885-S888 PolarHBondContact O-N 2.8Å; V886-S888 VanDerWaalsContact C-N 3.33Å; V886-S888 PolarHBondContact O-N 3.1Å; S888-N890 VanDerWaalsContact C-N 3.3Å; S888-N890 PolarHBondContact O-N 3.17Å; S888-S891 WeakPolarHBondContact CA-OG 3.47Å; S888-S891 CarbonylContact O-C 3.59Å; S888-S891 WeakPolarHBondContact O-CA 3.38Å; S888-S891 PolarHBondContact O-N 2.88Å; S888-S891 PolarHBondContact O-OG 3.11Å; S888-S892 PolarHBondContact O-N 3.13Å; S888-S892 PolarHBondContact O-OG 2.9Å
889	L	74.9	Confident	68.3	Low	119 Å²	119	111.5 Å²	111.5	62%	0.623	56%	0.563	S	S	*	*	H	α-helix	trans	-57.2	-41.9	173.2	-79.6	164.3	0	0	0	112.2	R885 V886 S891 S892 L893	R885-L889 WeakPolarHBondContact O-CB 3.27Å; R885-L889 WeakPolarHBondContact O-CG 3.43Å; R885-L889 PolarHBondContact O-N 2.94Å; V886-L889 PolarHBondContact O-N 2.57Å; L889-S891 VanDerWaalsContact C-N 3.35Å; L889-S892 PolarHBondContact O-N 3.4Å; L889-L893 WeakPolarHBondContact O-CB 3.43Å; L889-L893 PolarHBondContact O-N 3Å
890	N	73.5	Confident	67.1	Low	95 Å²	95	112.4 Å²	112.4	51%	0.508	57%	0.571	S	S	.	*	H	α-helix	trans	-65.4	-37.5	175.6	-165.2	40.9	0	0	0	111.6	V886 K887 S888 L893 V894	V886-N890 VanDerWaalsContact O-CB 3.31Å; V886-N890 WeakPolarHBondContact O-CB 3.26Å; V886-N890 PolarHBondContact O-N 3.01Å; K887-N890 PolarHBondContact O-N 3.18Å; S888-N890 VanDerWaalsContact C-N 3.3Å; S888-N890 PolarHBondContact O-N 3.17Å; N890-L893 PolarHBondContact O-N 3.38Å; N890-V894 VanDerWaalsContact O-CB 3.31Å; N890-V894 WeakPolarHBondContact O-CB 3.42Å; N890-V894 VanDerWaalsContact O-CG2 3.23Å; N890-V894 WeakPolarHBondContact O-CG2 3.32Å; N890-V894 PolarHBondContact O-N 3.39Å
891	S	70.9	Confident	65.6	Low	66 Å²	66	115.3 Å²	115.3	46%	0.462	58%	0.584	S	S	.	*	H	α-helix	trans	-68.1	-35.4	173.2	65.6	0	0	0	0	112.9	K887 S888 L889 Q895	K887-S891 PolarHBondContact O-N 3.47Å; K887-S891 PolarHBondContact O-OG 3.24Å; S888-S891 WeakPolarHBondContact CA-OG 3.47Å; S888-S891 CarbonylContact O-C 3.59Å; S888-S891 WeakPolarHBondContact O-CA 3.38Å; S888-S891 PolarHBondContact O-N 2.88Å; S888-S891 PolarHBondContact O-OG 3.11Å; L889-S891 VanDerWaalsContact C-N 3.35Å; S891-Q895 VanDerWaalsContact O-CB 3.27Å; S891-Q895 WeakPolarHBondContact O-CB 3.42Å; S891-Q895 PolarHBondContact O-N 3.4Å
892	S	72	Confident	63.6	Low	64 Å²	64	114.3 Å²	114.3	45%	0.448	60%	0.597	S	S	.	*	H	α-helix	trans	-66.1	-42.5	171.7	-57.6	0	0	0	0	111.8	S888 L889 Q895 V896	S888-S892 PolarHBondContact O-N 3.13Å; S888-S892 PolarHBondContact O-OG 2.9Å; L889-S892 PolarHBondContact O-N 3.4Å; S892-Q895 PolarHBondContact O-N 3.05Å; S892-V896 WeakPolarHBondContact O-CG2 3.46Å; S892-V896 PolarHBondContact O-N 3.41Å
893	L	66.5	Low	61.5	Low	112 Å²	112	113.5 Å²	113.5	59%	0.586	61%	0.607	S	S	*	*	H	α-helix	trans	-63.1	-46.1	175.8	-169.8	72.7	0	0	0	111.2	L889 N890 Q895 V896 Q897	L889-L893 WeakPolarHBondContact O-CB 3.43Å; L889-L893 PolarHBondContact O-N 3Å; N890-L893 PolarHBondContact O-N 3.38Å; L893-Q895 VanDerWaalsContact C-N 3.31Å; L893-Q895 PolarHBondContact O-N 2.91Å; L893-V896 PolarHBondContact O-N 3.04Å; L893-Q897 WeakPolarHBondContact O-CB 3.46Å; L893-Q897 PolarHBondContact O-N 2.99Å
894	V	64.9	Low	60	Low	69 Å²	69	118.2 Å²	118.2	42%	0.418	63%	0.629	S	S	.	*	H	α-helix	trans	-65.3	-32.7	175.1	168.3	0	0	0	0	111.6	N890 Q897 K898	N890-V894 VanDerWaalsContact O-CB 3.31Å; N890-V894 WeakPolarHBondContact O-CB 3.42Å; N890-V894 VanDerWaalsContact O-CG2 3.23Å; N890-V894 WeakPolarHBondContact O-CG2 3.32Å; N890-V894 PolarHBondContact O-N 3.39Å; V894-Q897 CarbonylContact O-C 3.56Å; V894-Q897 PolarHBondContact O-N 2.64Å; V894-K898 WeakPolarHBondContact O-CB 3.43Å; V894-K898 PolarHBondContact O-N 3.35Å
895	Q	59.4	Low	58	Low	121 Å²	121	121.6 Å²	121.6	57%	0.565	65%	0.648	S	S	*	*	H	α-helix	trans	-70.7	-44.1	175.7	-174.6	161	-20.9	0	0	111.8	S891 S892 L893 Q897 K898 E899	S891-Q895 VanDerWaalsContact O-CB 3.27Å; S891-Q895 WeakPolarHBondContact O-CB 3.42Å; S891-Q895 PolarHBondContact O-N 3.4Å; S892-Q895 PolarHBondContact O-N 3.05Å; L893-Q895 VanDerWaalsContact C-N 3.31Å; L893-Q895 PolarHBondContact O-N 2.91Å; Q895-Q897 PolarHBondContact O-N 3.22Å; Q895-K898 PolarHBondContact O-N 3.23Å; Q895-E899 PolarHBondContact O-N 3Å
896	V	62.5	Low	56	Low	106 Å²	106	116 Å²	116	64%	0.642	65%	0.648	S	S	*	*	H	α-helix	trans	-58	-37.6	169.8	170.6	0	0	0	0	111.3	S892 L893 K898	S892-V896 WeakPolarHBondContact O-CG2 3.46Å; S892-V896 PolarHBondContact O-N 3.41Å; L893-V896 PolarHBondContact O-N 3.04Å; V896-K898 VanDerWaalsContact C-N 3.35Å
897	Q	55.1	Low	54.2	Low	144 Å²	144	120 Å²	120	67%	0.673	67%	0.665	S	S	*	*	H	α-helix	trans	-73.4	-23	175.5	-168.4	172.3	-2.4	0	0	113.5	L893 V894 Q895	L893-Q897 WeakPolarHBondContact O-CB 3.46Å; L893-Q897 PolarHBondContact O-N 2.99Å; V894-Q897 CarbonylContact O-C 3.56Å; V894-Q897 PolarHBondContact O-N 2.64Å; Q895-Q897 PolarHBondContact O-N 3.22Å
898	K	50.9	Low	52.7	Low	160 Å²	160	119.3 Å²	119.3	70%	0.696	68%	0.675	S	S	*	*	H	α-helix	trans	-96.5	-17.8	-175.9	-167.6	170.2	-174.6	178.2	0	113.9	V894 Q895 V896 L900	V894-K898 WeakPolarHBondContact O-CB 3.43Å; V894-K898 PolarHBondContact O-N 3.35Å; Q895-K898 PolarHBondContact O-N 3.23Å; V896-K898 VanDerWaalsContact C-N 3.35Å; K898-L900 PolarHBondContact O-N 3.27Å
899	E	48.1	Very low	51.3	Low	154 Å²	154	119.2 Å²	119.2	72%	0.72	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-9.7	164.7	-73.4	175	-168.9	0	0	112.3	Q895	Q895-E899 PolarHBondContact O-N 3Å
900	L	46.9	Very low	50.3	Low	138 Å²	138	119.7 Å²	119.7	72%	0.723	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-0.8	-178.8	-141.7	78.2	0	0	0	115.6	K898	K898-L900 PolarHBondContact O-N 3.27Å
901	Q	39.7	Very low	49.2	Very low	166 Å²	166	121.3 Å²	121.3	78%	0.776	71%	0.711	S	S	*	*			trans	-160.1	129.3	173.5	-117.2	136.9	94.5	0	0	113.7
902	T	31.5	Very low	48.1	Very low	149 Å²	149	121.9 Å²	121.9	91%	0.914	73%	0.727	S	S	*	*			trans	-99.3	151	-176.3	47.8	0	0	0	0	112.1
903	G	32.8	Very low	47.2	Very low	74 Å²	74	128.4 Å²	128.4	76%	0.763	75%	0.75	S	S	*	*			trans	175.9	22.2	-178.9	0	0	0	0	0	123
904	Q	37.7	Very low	46.4	Very low	198 Å²	198	133.2 Å²	133.2	93%	0.925	77%	0.766	S	S	*	*			trans	59.6	174.1	165.4	-64.6	-178.1	-13.1	0	0	118.4
905	T	31.9	Very low	45.5	Very low	140 Å²	140	133.5 Å²	133.5	86%	0.859	78%	0.783	S	S	*	*			trans	-145.9	145.5	-159.3	-45.6	0	0	0	0	112.9
906	G	35.1	Very low	45	Very low	70 Å²	70	136.5 Å²	136.5	72%	0.722	80%	0.802	S	S	*	*			trans	-144.6	150.2	165.4	0	0	0	0	0	111.2
907	L	38	Very low	44.1	Very low	171 Å²	171	140.4 Å²	140.4	90%	0.895	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-102.4	142.5	-167	-70.7	166.2	0	0	0	113.9
908	P	42.3	Very low	43.7	Very low	123 Å²	123	136.9 Å²	136.9	80%	0.799	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-91.9	159.5	170.9	7.7	11.8	0	0	0	113.6
909	G	42.3	Very low	43.8	Very low	64 Å²	64	137.5 Å²	137.5	66%	0.66	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-92.8	164.1	170.8	0	0	0	0	0	114.1
910	P	54.3	Low	44.4	Very low	129 Å²	129	136.1 Å²	136.1	84%	0.838	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-80.7	134.5	-171.9	31.1	-35	0	0	0	114.2
911	P	50.5	Low	44.9	Very low	130 Å²	130	132.8 Å²	132.8	84%	0.844	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-73.4	143	165.2	-15.9	31.5	0	0	0	112.3
912	G	48.2	Very low	46	Very low	77 Å²	77	131.3 Å²	131.3	79%	0.794	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-82.4	163.4	-178.6	0	0	0	0	0	115.4
913	E	52	Low	47.4	Very low	202 Å²	202	136 Å²	136	94%	0.944	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-72.5	150.8	-178.6	-59.9	-176.2	131.5	0	0	113.1
914	K	50	Low	48.6	Very low	212 Å²	212	135 Å²	135	92%	0.922	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-88	142.1	175.8	-85	-177	173.2	178.7	0	111.6
915	G	45.7	Very low	49.9	Very low	75 Å²	75	131.4 Å²	131.4	77%	0.773	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-74.9	172.9	-173.2	0	0	0	0	0	116.6
916	L	50.4	Low	51.6	Low	185 Å²	185	130.9 Å²	130.9	97%	0.969	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-62.7	154.1	-176	-63.1	162.5	0	0	0	113.9
917	M	42.7	Very low	52.7	Low	188 Å²	188	130.6 Å²	130.6	93%	0.926	82%	0.817	S	S	*	*			trans	-143.1	123.5	174	-166.8	-170.7	-54	0	0	111.9
918	G	47.3	Very low	54	Low	69 Å²	69	128.3 Å²	128.3	71%	0.711	81%	0.812	S	S	*	*			trans	75.4	108.3	159	0	0	0	0	0	117.9
919	L	52.6	Low	55.2	Low	174 Å²	174	128.5 Å²	128.5	91%	0.911	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-74.4	129.4	156.2	-77.6	167.3	0	0	0	109.4
920	P	61.3	Low	56	Low	125 Å²	125	129.1 Å²	129.1	81%	0.812	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-62.8	140.1	169.2	-22.7	34.6	0	0	0	111.8
921	G	58	Low	56.2	Low	67 Å²	67	131.5 Å²	131.5	69%	0.691	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-69.7	159.1	179.6	0	0	0	0	0	113.7
922	P	62.7	Low	56.8	Low	135 Å²	135	134.7 Å²	134.7	88%	0.877	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-64.9	144.6	-179	27.1	-34.7	0	0	0	112.6	G924	P922-G924 PolarHBondContact O-N 2.94Å
923	R	59.2	Low	57.5	Low	247 Å²	247	134.2 Å²	134.2	93%	0.932	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-65.5	128	178.7	-176.5	178.1	179.8	174.2	0.4	110.8
924	G	59.2	Low	58.1	Low	53 Å²	53	132.6 Å²	132.6	55%	0.546	82%	0.817	S	S	.	*	P	Polyproline II helix	trans	-63.8	153.8	174.6	0	0	0	0	0	113	P922	P922-G924 PolarHBondContact O-N 2.94Å
925	P	64	Low	58.6	Low	123 Å²	123	127.3 Å²	127.3	80%	0.799	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-67.4	153.2	-178.6	28.7	-35.3	0	0	0	112.2
926	P	68	Low	59.1	Low	129 Å²	129	127.4 Å²	127.4	84%	0.838	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-61	146.4	173.8	-21.5	33.6	0	0	0	112.7
927	G	58.8	Low	59.8	Low	65 Å²	65	124.3 Å²	124.3	67%	0.67	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-71	153.6	170.9	0	0	0	0	0	112.3
928	P	65.2	Low	60.6	Low	122 Å²	122	126.9 Å²	126.9	79%	0.792	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-68.5	151.9	178.7	29.3	-35.1	0	0	0	112
929	P	67.6	Low	61	Low	128 Å²	128	126.6 Å²	126.6	83%	0.831	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-59.4	148.2	173.8	-23.7	34.6	0	0	0	113.1
930	G	57.7	Low	61.3	Low	77 Å²	77	128 Å²	128	79%	0.794	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-66.6	149	175	0	0	0	0	0	112.8
931	L	60.1	Low	61.5	Low	178 Å²	178	127.7 Å²	127.7	93%	0.932	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-67.1	138.3	177.7	-66.7	172.8	0	0	0	111.2
932	K	62.8	Low	61.5	Low	198 Å²	198	127.5 Å²	127.5	86%	0.861	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-69.9	131.5	173.3	-174.6	-179.9	-179.8	-178.9	0	109.3
933	G	62.3	Low	61.7	Low	66 Å²	66	127.4 Å²	127.4	68%	0.68	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-65.4	147.6	176.6	0	0	0	0	0	112.8
934	D	64.1	Low	61.8	Low	168 Å²	168	125 Å²	125	90%	0.898	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-65.2	149.1	-177.8	-65.8	-60.9	0	0	0	113
935	A	61.1	Low	61.7	Low	101 Å²	101	125.3 Å²	125.3	84%	0.835	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-74.5	135.2	176.5	0	0	0	0	0	111.1
936	G	56.8	Low	61.6	Low	78 Å²	78	128.3 Å²	128.3	80%	0.804	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-58.5	137.6	176	0	0	0	0	0	112.3	R938	G936-R938 PolarHBondContact O-N 3.42Å
937	S	63.8	Low	61.3	Low	120 Å²	120	127.8 Å²	127.8	84%	0.839	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-61.8	131.2	-178.4	53.8	0	0	0	0	112.2	G939	S937-G939 PolarHBondContact O-N 3.37Å
938	R	59.8	Low	60.9	Low	241 Å²	241	128 Å²	128	91%	0.909	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-56.3	129.8	172.2	-175	176.1	-177	163.6	1.5	110.1	G936	G936-R938 PolarHBondContact O-N 3.42Å
939	G	55.3	Low	60.2	Low	63 Å²	63	130 Å²	130	65%	0.649	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-57.1	144.3	177.3	0	0	0	0	0	112.3	S937	S937-G939 PolarHBondContact O-N 3.37Å
940	F	58.9	Low	59.4	Low	203 Å²	203	129.4 Å²	129.4	89%	0.89	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-62.1	143.1	179.9	-68.3	-77.9	0	0	0	111.6
941	P	67	Low	58.7	Low	119 Å²	119	129 Å²	129	77%	0.773	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-55.6	144.2	167.9	-22.7	33.7	0	0	0	111.2
942	G	56.2	Low	58	Low	63 Å²	63	127.1 Å²	127.1	65%	0.649	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-58.9	151.2	172.4	0	0	0	0	0	111.5	K944	G942-K944 PolarHBondContact O-N 2.63Å
943	P	67.3	Low	57.1	Low	133 Å²	133	124.7 Å²	124.7	86%	0.864	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-58.4	133.7	178.6	25.6	-33.9	0	0	0	110.1	G945	P943-G945 PolarHBondContact O-N 3.4Å
944	K	61.9	Low	56.1	Low	197 Å²	197	125.4 Å²	125.4	86%	0.857	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-59.5	128.5	172.2	-174	-177	178.6	-176.9	0	108.2	G942	G942-K944 PolarHBondContact O-N 2.63Å
945	G	57.3	Low	55.5	Low	59 Å²	59	126.1 Å²	126.1	61%	0.608	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-53.2	144.4	174.3	0	0	0	0	0	111.2	P943	P943-G945 PolarHBondContact O-N 3.4Å
946	E	62.4	Low	55.3	Low	186 Å²	186	130.2 Å²	130.2	87%	0.869	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-57	138.1	-177.6	-63.2	-168.1	147.7	0	0	110.3	G948	E946-G948 PolarHBondContact O-N 2.75Å
947	P	61.3	Low	55.7	Low	118 Å²	118	128.7 Å²	128.7	77%	0.766	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-55.6	130	170.1	-21.4	32.8	0	0	0	109.1	L949	P947-L949 PolarHBondContact O-N 2.75Å
948	G	49.2	Very low	56	Low	69 Å²	69	129.6 Å²	129.6	71%	0.711	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-52.1	143.3	169.2	0	0	0	0	0	109.8	E946	E946-G948 PolarHBondContact O-N 2.75Å
949	L	50.4	Low	57.2	Low	164 Å²	164	118.6 Å²	118.6	86%	0.859	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-46.5	135.8	179.4	-73.6	169.2	0	0	0	109.8	P947 G951	P947-L949 PolarHBondContact O-N 2.75Å; L949-G951 PolarHBondContact O-N 3.37Å; L949-G951 VanDerWaalsContact O-N 3.11Å
950	P	51.1	Low	59	Low	117 Å²	117	117 Å²	117	76%	0.76	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-49.3	125.6	172.8	-26	34.2	0	0	0	108.9	V952	P950-V952 PolarHBondContact O-N 2.95Å; P950-V952 VanDerWaalsContact O-N 3.09Å
951	G	43.1	Very low	60.6	Low	67 Å²	67	107.7 Å²	107.7	69%	0.691	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-52.5	122.9	173.6	0	0	0	0	0	107.4	L949 D953	L949-G951 PolarHBondContact O-N 3.37Å; L949-G951 VanDerWaalsContact O-N 3.11Å; G951-D953 PolarHBondContact O-N 3.36Å
952	V	45.6	Very low	61.9	Low	140 Å²	140	103.2 Å²	103.2	85%	0.848	62%	0.616	S	S	*	*			trans	-62.1	113.4	-175.9	-161.8	0	0	0	0	106.5	P950 A954	P950-V952 PolarHBondContact O-N 2.95Å; P950-V952 VanDerWaalsContact O-N 3.09Å; V952-A954 PolarHBondContact O-N 2.93Å
953	D	43.3	Very low	63.6	Low	146 Å²	146	100.2 Å²	100.2	78%	0.781	59%	0.585	S	S	*	*			trans	-62.8	89.5	175.3	-85.8	-41	0	0	0	108	G951 H955	G951-D953 PolarHBondContact O-N 3.36Å; D953-H955 PolarHBondContact O-N 3.25Å; D953-H955 PolarHBondContact O-ND1 3.07Å
954	A	41.4	Very low	64.7	Low	82 Å²	82	93.9 Å²	93.9	68%	0.678	54%	0.544	S	S	*	.			trans	-57.9	104.4	174.8	0	0	0	0	0	106.6	V952 R956	V952-A954 PolarHBondContact O-N 2.93Å; A954-R956 PolarHBondContact O-N 3.34Å
955	H	51.7	Low	66	Low	182 Å²	182	84.8 Å²	84.8	84%	0.843	51%	0.505	S	S	*	.			trans	-64.3	71.9	172.1	-92.1	47.4	0	0	0	108.7	D953 P957	D953-H955 PolarHBondContact O-N 3.25Å; D953-H955 PolarHBondContact O-ND1 3.07Å; H955-P957 WeakPolarHBondContact O-CD 3.46Å
956	R	58.4	Low	67	Low	187 Å²	187	83.7 Å²	83.7	71%	0.706	49%	0.487	S	S	*	.			trans	-58	118.9	161.5	-69.1	-170.1	-170.9	-112.2	6.2	105.4	A954 M958	A954-R956 PolarHBondContact O-N 3.34Å; R956-M958 PolarHBondContact O-N 3.43Å
957	P	64.7	Low	67.6	Low	46 Å²	46	77.3 Å²	77.3	30%	0.299	47%	0.465	S	S	.	.			trans	-65.8	109.2	175	27.4	-32	0	0	0	107.5	H955 L959 L1094 E1097	H955-P957 WeakPolarHBondContact O-CD 3.46Å; P957-L959 VanDerWaalsContact C-N 3.34Å; P957-L959 HydrophobicContact CB-CD2 3.85Å; P957-L959 HydrophobicContact CB-CG 3.98Å; P957-L959 HydrophobicContact CG-CG 4.46Å; P957-L959 PolarHBondContact O-N 2.97Å; P957-L1094 HydrophobicContact CG-CD2 4.3Å; P957-E1097 WeakPolarHBondContact CD-OE1 3.27Å; P957-E1097 WeakPolarHBondContact CG-OE1 3.41Å
958	M	69.6	Low	68.2	Low	139 Å²	139	76.1 Å²	76.1	69%	0.685	45%	0.452	S	S	*	.			trans	-74.8	95.5	173.2	-158.8	167.5	83.9	0	0	107.1	R956 E984	R956-M958 PolarHBondContact O-N 3.43Å; M958-E984 WeakPolarHBondContact CE-OE1 3.3Å; M958-E984 VanDerWaalsContact O-CB 3.3Å; M958-E984 WeakPolarHBondContact O-CB 3.44Å
959	L	85.6	Confident	69.7	Low	10 Å²	10	74.6 Å²	74.6	5%	0.052	43%	0.426	C	S	.	.			trans	-102.4	107.4	-177.4	-54.7	-176.5	0	0	0	108.8	P957 F987 P998 V999 Y1003 M1093 L1094	P957-L959 VanDerWaalsContact C-N 3.34Å; P957-L959 HydrophobicContact CB-CD2 3.85Å; P957-L959 HydrophobicContact CB-CG 3.98Å; P957-L959 HydrophobicContact CG-CG 4.46Å; P957-L959 PolarHBondContact O-N 2.97Å; L959-F987 HydrophobicContact CD2-CD2 3.7Å; L959-F987 HydrophobicContact CD2-CE2 3.53Å; L959-P998 HydrophobicContact CD1-CG 3.36Å; L959-P998 HydrophobicContact CD2-CG 4.34Å; L959-P998 HydrophobicContact CG-CG 4.49Å; L959-V999 HydrophobicContact CD1-CG2 3.95Å; L959-Y1003 HydrophobicContact CD1-CE1 4.13Å; L959-M1093 CarbonylContact O-C 3.56Å; L959-M1093 VanDerWaalsContact O-CA 3.26Å; L959-M1093 WeakPolarHBondContact O-CA 3.45Å; L959-L1094 HydrophobicContact CB-CB 3.84Å; L959-L1094 HydrophobicContact CD1-CB 4.26Å; L959-L1094 HydrophobicContact CD1-CD2 3.91Å; L959-L1094 HydrophobicContact CG-CB 4.33Å; L959-L1094 HydrophobicContact CG-CD2 4.14Å; L959-L1094 PolarHBondContact O-N 3.44Å
960	S	91.7	Very high	70.9	Confident	31 Å²	31	71.9 Å²	71.9	22%	0.217	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	144.9	171.7	80.5	0	0	0	0	111.4	V982 N983 E984 G1092	S960-V982 WeakPolarHBondContact OG-CG1 3.34Å; S960-N983 CarbonylContact O-C 3.5Å; S960-N983 WeakPolarHBondContact O-CA 3.33Å; S960-E984 WeakPolarHBondContact CB-OE2 3.44Å; S960-E984 PolarHBondContact O-N 3.37Å; S960-E984 PolarHBondContact OG-OE2 3.28Å; S960-G1092 CarbonylContact C-O 3.57Å; S960-G1092 WeakPolarHBondContact CA-O 3.11Å
961	F	94.3	Very high	72.2	Confident	6 Å²	6	70.5 Å²	70.5	3%	0.026	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	151.7	167.3	76	-87.5	0	0	0	111.3	V982 N983 Y988 F995 F1005 F1090 N1091 G1092	F961-V982 CarbonylContact C-O 3.57Å; F961-V982 WeakPolarHBondContact CA-O 3.48Å; F961-V982 WeakPolarHBondContact CB-O 3.4Å; F961-N983 HydrophobicContact CB-CB 4.48Å; F961-Y988 HydrophobicContact CD2-CD1 4.29Å; F961-Y988 AromaticContact CD2-CD2 3.76Å; F961-Y988 HydrophobicContact CD2-CD2 3.76Å; F961-Y988 HydrophobicContact CD2-CE2 4.47Å; F961-Y988 AromaticContact CD2-CG 3.65Å; F961-Y988 HydrophobicContact CD2-CG 3.65Å; F961-Y988 AromaticContact CE2-CD2 3.59Å; F961-Y988 HydrophobicContact CE2-CD2 3.59Å; F961-Y988 HydrophobicContact CE2-CE2 4.08Å; F961-Y988 HydrophobicContact CE2-CG 4.01Å; F961-Y988 HydrophobicContact CG-CD2 4.43Å; F961-Y988 HydrophobicContact CG-CG 4.11Å; F961-Y988 HydrophobicContact CZ-CD2 4.12Å; F961-F995 AromaticContact CD1-CD2 3.4Å; F961-F995 HydrophobicContact CD1-CD2 3.4Å; F961-F995 AromaticContact CD1-CE2 3.73Å; F961-F995 HydrophobicContact CD1-CE2 3.73Å; F961-F995 HydrophobicContact CD1-CG 4.18Å; F961-F995 HydrophobicContact CE1-CB 3.8Å; F961-F995 HydrophobicContact CE1-CD1 4.32Å; F961-F995 AromaticContact CE1-CD2 3.21Å; F961-F995 HydrophobicContact CE1-CD2 3.21Å; F961-F995 AromaticContact CE1-CE2 3.8Å; F961-F995 HydrophobicContact CE1-CE2 3.8Å; F961-F995 AromaticContact CE1-CG 3.52Å; F961-F995 HydrophobicContact CE1-CG 3.52Å; F961-F995 HydrophobicContact CG-CD2 4.41Å; F961-F995 HydrophobicContact CZ-CB 3.88Å; F961-F995 HydrophobicContact CZ-CD2 4.13Å; F961-F995 HydrophobicContact CZ-CG 4.12Å; F961-F1005 HydrophobicContact CE1-CD1 4.29Å; F961-F1005 AromaticContact CE1-CE1 3.79Å; F961-F1005 HydrophobicContact CE1-CE1 3.79Å; F961-F1005 HydrophobicContact CZ-CD1 4.07Å; F961-F1005 AromaticContact CZ-CE1 3.87Å; F961-F1005 HydrophobicContact CZ-CE1 3.87Å; F961-F1090 AromaticContact CE2-CD1 3.8Å; F961-F1090 HydrophobicContact CE2-CD1 3.8Å; F961-F1090 HydrophobicContact CE2-CD2 4.43Å; F961-F1090 AromaticContact CE2-CE1 3.85Å; F961-F1090 HydrophobicContact CE2-CE1 3.85Å; F961-F1090 HydrophobicContact CE2-CE2 4.49Å; F961-F1090 HydrophobicContact CE2-CG 4.11Å; F961-F1090 HydrophobicContact CE2-CZ 4.21Å; F961-F1090 HydrophobicContact CZ-CD1 4.23Å; F961-F1090 AromaticContact CZ-CE1 3.82Å; F961-F1090 HydrophobicContact CZ-CE1 3.82Å; F961-F1090 HydrophobicContact CZ-CE2 4.18Å; F961-F1090 AromaticContact CZ-CZ 3.8Å; F961-F1090 HydrophobicContact CZ-CZ 3.8Å; F961-N1091 CarbonylContact O-C 3.58Å; F961-N1091 VanDerWaalsContact O-CA 3.3Å; F961-N1091 WeakPolarHBondContact O-CA 3.43Å; F961-G1092 WeakPolarHBondContact CD1-O 3.43Å; F961-G1092 VanDerWaalsContact CE1-CA 3.41Å; F961-G1092 PolarHBondContact N-O 2.67Å; F961-G1092 PolarHBondContact O-N 2.87Å
962	S	93.8	Very high	74.1	Confident	25 Å²	25	71.7 Å²	71.7	18%	0.175	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	123.4	173.7	-179.4	0	0	0	0	107.7	F981 V982 N1091	S962-F981 PolarHBondContact O-N 3.36Å; S962-V982 PolarHBondContact N-O 3.27Å; S962-V982 PolarHBondContact O-N 3.45Å; S962-V982 VanDerWaalsContact O-N 3.16Å; S962-N1091 VanDerWaalsContact CB-OD1 3.25Å; S962-N1091 WeakPolarHBondContact CB-OD1 3.31Å; S962-N1091 PolarHBondContact OG-OD1 3.24Å
963	A	92.4	Very high	76	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	134.6	-177.1	0	0	0	0	0	111.5	F977 K979 V980 Y988 V1089 F1090	A963-F977 HydrophobicContact CB-CB 3.71Å; A963-K979 CarbonylContact C-O 3.49Å; A963-K979 WeakPolarHBondContact CA-O 3.47Å; A963-V980 HydrophobicContact CB-CG2 4.49Å; A963-Y988 HydrophobicContact CB-CD1 4.1Å; A963-Y988 HydrophobicContact CB-CE1 3.57Å; A963-V1089 CarbonylContact O-C 3.47Å; A963-V1089 WeakPolarHBondContact O-CA 3.25Å; A963-F1090 PolarHBondContact N-O 3.28Å; A963-F1090 PolarHBondContact O-N 3.24Å
964	G	90.3	Very high	78.3	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	150.8	178.1	0	0	0	0	0	112.3	F977 N978 K979 T1088	G964-F977 CarbonylContact O-C 3.56Å; G964-N978 PolarHBondContact O-N 3.31Å; G964-K979 PolarHBondContact N-O 3.02Å; G964-K979 WeakPolarHBondContact O-CB 3.31Å; G964-K979 PolarHBondContact O-N 3Å; G964-T1088 WeakPolarHBondContact CA-O 3.31Å
965	L	87.6	Confident	80.6	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.031	31%	0.312	C	S	.	.			trans	-84.5	122	169.8	-176.2	68.4	0	0	0	109.6	A967 K969 V975 V976 F977 L1080 T1088	L965-A967 VanDerWaalsContact CD1-O 3.26Å; L965-A967 WeakPolarHBondContact CD1-O 3.39Å; L965-A967 VanDerWaalsContact CG-O 3.22Å; L965-A967 WeakPolarHBondContact CG-O 3.31Å; L965-K969 HydrophobicContact CD2-CB 4.4Å; L965-V975 HydrophobicContact CD1-CG1 4.15Å; L965-V975 HydrophobicContact CD2-CG1 4.26Å; L965-V976 VanDerWaalsContact CD1-O 3.28Å; L965-V976 WeakPolarHBondContact CD1-O 3.15Å; L965-F977 HydrophobicContact CB-CD1 4.12Å; L965-L1080 HydrophobicContact CD2-CB 3.68Å; L965-L1080 HydrophobicContact CD2-CD1 4.06Å; L965-T1088 HydrophobicContact CB-CG2 3.71Å; L965-T1088 HydrophobicContact CD2-CG2 3.82Å; L965-T1088 HydrophobicContact CG-CG2 4.43Å; L965-T1088 PolarHBondContact N-O 2.58Å
966	T	79.9	Confident	82.5	Confident	37 Å²	37	51.3 Å²	51.3	23%	0.227	29%	0.286	C	S	.	.			trans	-125	4.6	167	68.9	0	0	0	0	113.9	N978 K979 H1082	T966-N978 PolarHBondContact N-OD1 3.33Å; T966-N978 PolarHBondContact OG1-ND2 3.44Å; T966-K979 HydrophobicContact CG2-CB 3.9Å; T966-K979 HydrophobicContact CG2-CD 3.6Å; T966-K979 HydrophobicContact CG2-CG 4.38Å; T966-H1082 PolarHBondContact O-ND1 2.9Å
967	A	74.3	Confident	84	Confident	51 Å²	51	42.4 Å²	42.4	42%	0.421	25%	0.252	S	S	.	.	S	Bend	trans	-96.8	142.7	163.4	0	0	0	0	0	110.1	L965 K969 N978	L965-A967 VanDerWaalsContact CD1-O 3.26Å; L965-A967 WeakPolarHBondContact CD1-O 3.39Å; L965-A967 VanDerWaalsContact CG-O 3.22Å; L965-A967 WeakPolarHBondContact CG-O 3.31Å; A967-K969 PolarHBondContact O-N 3.12Å; A967-N978 PolarHBondContact N-OD1 3.38Å
968	L	73.5	Confident	85.1	Confident	93 Å²	93	43.3 Å²	43.3	49%	0.487	26%	0.255	S	S	.	.			trans	-66.8	124.2	172.2	-175.8	73.4	0	0	0	109.2	E970 L1080 H1082	L968-E970 HydrophobicContact CD2-CG 3.55Å; L968-E970 HydrophobicContact CG-CG 3.71Å; L968-L1080 WeakPolarHBondContact CD1-O 3.33Å; L968-H1082 HydrophobicContact CB-CB 4.42Å
969	K	80.9	Confident	86.1	Confident	37 Å²	37	40.8 Å²	40.8	16%	0.161	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-104.2	103.4	173.6	-176.1	81.4	-166.3	-164.4	0	109.1	L965 A967 T971 G973 T974 L1075 L1080	L965-K969 HydrophobicContact CD2-CB 4.4Å; A967-K969 PolarHBondContact O-N 3.12Å; K969-T971 WeakPolarHBondContact CE-O 3.36Å; K969-G973 PolarHBondContact NZ-O 2.99Å; K969-T974 PolarHBondContact NZ-O 2.92Å; K969-L1075 HydrophobicContact CB-CD2 4.47Å; K969-L1075 HydrophobicContact CG-CD2 3.72Å; K969-L1080 HydrophobicContact CB-CB 4.29Å; K969-L1080 PolarHBondContact N-O 3.24Å; K969-L1080 PolarHBondContact O-N 3Å
970	E	75.3	Confident	86.3	Confident	107 Å²	107	43 Å²	43	50%	0.5	25%	0.254	S	S	.	.			trans	-99.2	-22.2	179.2	-61.6	-156.8	110.4	0	0	114.8	L968 R1079	L968-E970 HydrophobicContact CD2-CG 3.55Å; L968-E970 HydrophobicContact CG-CG 3.71Å; E970-R1079 HydrophobicContact CB-CG 4.34Å; E970-R1079 IonicContact OE1-NH1 3.22Å; E970-R1079 PolarHBondContact OE1-NH1 3.04Å
971	T	78.4	Confident	86.3	Confident	89 Å²	89	45.8 Å²	45.8	55%	0.546	26%	0.262	S	S	.	.	S	Bend	trans	-99	151.7	-176.8	49.6	0	0	0	0	112.1	K969	K969-T971 WeakPolarHBondContact CE-O 3.36Å
972	P	83.3	Confident	86.1	Confident	91 Å²	91	48.2 Å²	48.2	59%	0.591	28%	0.277	S	S	*	.	S	Bend	trans	-60.6	166.9	166.3	-25.9	36.4	0	0	0	113.7	L1075	P972-L1075 CarbonylContact C-O 3.53Å; P972-L1075 WeakPolarHBondContact CA-O 3.4Å; P972-L1075 WeakPolarHBondContact CB-O 3.35Å
973	G	86.6	Confident	86	Confident	31 Å²	31	48.3 Å²	48.3	32%	0.32	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	92.7	-174	-175.5	0	0	0	0	0	113.6	K969 V975 L1075	K969-G973 PolarHBondContact NZ-O 2.99Å; G973-V975 PolarHBondContact O-N 2.77Å; G973-L1075 PolarHBondContact N-O 2.9Å; G973-L1075 PolarHBondContact O-N 2.85Å
974	T	89.9	Confident	85.8	Confident	45 Å²	45	51.7 Å²	51.7	28%	0.276	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	130.2	-164.4	-42.5	0	0	0	0	114.5	K969 C1072 D1074	K969-T974 PolarHBondContact NZ-O 2.92Å; T974-C1072 HydrophobicContact CG2-CB 3.73Å; T974-D1074 WeakPolarHBondContact CA-OD1 3.5Å; T974-D1074 VanDerWaalsContact CB-OD1 3.25Å; T974-D1074 WeakPolarHBondContact CB-OD1 3.5Å; T974-D1074 PolarHBondContact N-OD1 3Å; T974-D1074 PolarHBondContact OG1-OD1 2.84Å
975	V	90.5	Very high	85.3	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.312	C	S	.	.			trans	-83.5	118.9	178.3	-176.4	0	0	0	0	109	L965 G973 F977 V1073 L1075 L1080	L965-V975 HydrophobicContact CD1-CG1 4.15Å; L965-V975 HydrophobicContact CD2-CG1 4.26Å; G973-V975 PolarHBondContact O-N 2.77Å; V975-F977 HydrophobicContact CB-CD2 4.39Å; V975-F977 HydrophobicContact CB-CE2 3.68Å; V975-F977 HydrophobicContact CB-CZ 3.95Å; V975-F977 HydrophobicContact CG1-CD1 4.44Å; V975-F977 HydrophobicContact CG1-CD2 4.06Å; V975-F977 HydrophobicContact CG1-CE1 4.01Å; V975-F977 HydrophobicContact CG1-CE2 3.58Å; V975-F977 HydrophobicContact CG1-CG 4.46Å; V975-F977 HydrophobicContact CG1-CZ 3.54Å; V975-F977 VanDerWaalsContact O-CD2 3.27Å; V975-F977 WeakPolarHBondContact O-CD2 3.38Å; V975-F977 WeakPolarHBondContact O-CE2 3.15Å; V975-F977 PolarHBondContact O-N 3.46Å; V975-V1073 PolarHBondContact N-O 3.49Å; V975-L1075 HydrophobicContact CG2-CB 3.84Å; V975-L1080 HydrophobicContact CG1-CD1 3.97Å; V975-L1080 HydrophobicContact CG2-CD1 3.88Å
976	V	91.3	Very high	85.3	Confident	46 Å²	46	59.8 Å²	59.8	28%	0.279	35%	0.345	S	S	.	.			trans	-95.8	95.9	-177.6	-174.9	0	0	0	0	109.1	L965 N978 P990	L965-V976 VanDerWaalsContact CD1-O 3.28Å; L965-V976 WeakPolarHBondContact CD1-O 3.15Å; V976-N978 PolarHBondContact O-N 3.19Å; V976-P990 WeakPolarHBondContact CG1-O 3.49Å
977	F	91	Very high	85.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.35	C	S	.	.			trans	-77.4	89.2	177.3	-52.3	-103.9	0	0	0	108.7	A963 G964 L965 V975 Y988 L1009 V1073 T1088 F1090	A963-F977 HydrophobicContact CB-CB 3.71Å; G964-F977 CarbonylContact O-C 3.56Å; L965-F977 HydrophobicContact CB-CD1 4.12Å; V975-F977 HydrophobicContact CB-CD2 4.39Å; V975-F977 HydrophobicContact CB-CE2 3.68Å; V975-F977 HydrophobicContact CB-CZ 3.95Å; V975-F977 HydrophobicContact CG1-CD1 4.44Å; V975-F977 HydrophobicContact CG1-CD2 4.06Å; V975-F977 HydrophobicContact CG1-CE1 4.01Å; V975-F977 HydrophobicContact CG1-CE2 3.58Å; V975-F977 HydrophobicContact CG1-CG 4.46Å; V975-F977 HydrophobicContact CG1-CZ 3.54Å; V975-F977 VanDerWaalsContact O-CD2 3.27Å; V975-F977 WeakPolarHBondContact O-CD2 3.38Å; V975-F977 WeakPolarHBondContact O-CE2 3.15Å; V975-F977 PolarHBondContact O-N 3.46Å; F977-Y988 WeakPolarHBondContact CB-OH 3.41Å; F977-Y988 PolarHBondContact N-OH 2.92Å; F977-Y988 PolarHBondContact O-OH 3.47Å; F977-L1009 HydrophobicContact CE1-CD2 4.04Å; F977-L1009 HydrophobicContact CZ-CD2 3.84Å; F977-V1073 HydrophobicContact CE2-CB 4.14Å; F977-V1073 HydrophobicContact CE2-CG2 4.32Å; F977-V1073 HydrophobicContact CZ-CB 4.3Å; F977-V1073 HydrophobicContact CZ-CG2 4.41Å; F977-T1088 HydrophobicContact CD1-CG2 4.34Å; F977-T1088 HydrophobicContact CE1-CG2 3.71Å; F977-F1090 HydrophobicContact CD1-CB 3.76Å; F977-F1090 HydrophobicContact CD2-CB 3.7Å; F977-F1090 AromaticContact CD2-CD1 3.92Å; F977-F1090 HydrophobicContact CD2-CD1 3.92Å; F977-F1090 HydrophobicContact CD2-CG 4.28Å; F977-F1090 HydrophobicContact CE1-CB 3.63Å; F977-F1090 HydrophobicContact CE2-CB 3.59Å; F977-F1090 AromaticContact CE2-CD1 3.88Å; F977-F1090 HydrophobicContact CE2-CD1 3.88Å; F977-F1090 HydrophobicContact CE2-CG 4.05Å; F977-F1090 HydrophobicContact CG-CB 3.81Å; F977-F1090 HydrophobicContact CZ-CB 3.56Å; F977-F1090 HydrophobicContact CZ-CG 4.34Å
978	N	87.5	Confident	86.8	Confident	66 Å²	66	59.2 Å²	59.2	35%	0.353	33%	0.33	S	S	.	.			trans	-80.5	-15.8	-166.7	65.6	-62.5	0	0	0	114.6	G964 T966 A967 V976	G964-N978 PolarHBondContact O-N 3.31Å; T966-N978 PolarHBondContact N-OD1 3.33Å; T966-N978 PolarHBondContact OG1-ND2 3.44Å; A967-N978 PolarHBondContact N-OD1 3.38Å; V976-N978 PolarHBondContact O-N 3.19Å
979	K	89.5	Confident	87.7	Confident	85 Å²	85	58.3 Å²	58.3	37%	0.37	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	90.3	179.5	-174.7	179.6	-178.2	-173.9	0	110.5	A963 G964 T966 F981	A963-K979 CarbonylContact C-O 3.49Å; A963-K979 WeakPolarHBondContact CA-O 3.47Å; G964-K979 PolarHBondContact N-O 3.02Å; G964-K979 WeakPolarHBondContact O-CB 3.31Å; G964-K979 PolarHBondContact O-N 3Å; T966-K979 HydrophobicContact CG2-CB 3.9Å; T966-K979 HydrophobicContact CG2-CD 3.6Å; T966-K979 HydrophobicContact CG2-CG 4.38Å; K979-F981 HydrophobicContact CD-CE1 3.88Å; K979-F981 HydrophobicContact CD-CZ 4.11Å; K979-F981 HydrophobicContact CG-CE1 3.93Å; K979-F981 HydrophobicContact CG-CZ 4.15Å
980	V	91.3	Very high	88.2	Confident	57 Å²	57	58.8 Å²	58.8	35%	0.345	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	134.1	175.4	179.1	0	0	0	0	110.7	A963 V982 N983 Y988 P990	A963-V980 HydrophobicContact CB-CG2 4.49Å; V980-V982 WeakPolarHBondContact CG1-O 3.44Å; V980-N983 HydrophobicContact CG1-CB 3.68Å; V980-Y988 HydrophobicContact CG2-CD1 4.47Å; V980-P990 HydrophobicContact CG2-CB 3.67Å; V980-P990 HydrophobicContact CG2-CG 3.87Å
981	F	90.3	Very high	88.8	Confident	89 Å²	89	57.5 Å²	57.5	39%	0.39	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-41.9	166.6	-48.4	-67.3	0	0	0	111	S962 K979 P1086 V1089	S962-F981 PolarHBondContact O-N 3.36Å; K979-F981 HydrophobicContact CD-CE1 3.88Å; K979-F981 HydrophobicContact CD-CZ 4.11Å; K979-F981 HydrophobicContact CG-CE1 3.93Å; K979-F981 HydrophobicContact CG-CZ 4.15Å; F981-P1086 HydrophobicContact CE1-CG 4.27Å; F981-P1086 HydrophobicContact CE2-CG 4.38Å; F981-P1086 HydrophobicContact CZ-CB 3.91Å; F981-P1086 HydrophobicContact CZ-CG 3.59Å; F981-V1089 HydrophobicContact CE2-CG1 4.32Å
982	V	90.8	Very high	89.4	Confident	57 Å²	57	56.4 Å²	56.4	35%	0.345	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	142.3	179.6	-174.1	0	0	0	0	108.3	S960 F961 S962 V980 E984	S960-V982 WeakPolarHBondContact OG-CG1 3.34Å; F961-V982 CarbonylContact C-O 3.57Å; F961-V982 WeakPolarHBondContact CA-O 3.48Å; F961-V982 WeakPolarHBondContact CB-O 3.4Å; S962-V982 PolarHBondContact N-O 3.27Å; S962-V982 PolarHBondContact O-N 3.45Å; S962-V982 VanDerWaalsContact O-N 3.16Å; V980-V982 WeakPolarHBondContact CG1-O 3.44Å; V982-E984 HydrophobicContact CG1-CG 3.88Å
983	N	91.8	Very high	89.8	Confident	27 Å²	27	52 Å²	52	14%	0.144	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	61	175.3	-169	11.7	0	0	0	109.9	S960 F961 V980 G985 N986 F987 Y988	S960-N983 CarbonylContact O-C 3.5Å; S960-N983 WeakPolarHBondContact O-CA 3.33Å; F961-N983 HydrophobicContact CB-CB 4.48Å; V980-N983 HydrophobicContact CG1-CB 3.68Å; N983-G985 PolarHBondContact O-N 3.15Å; N983-N986 PolarHBondContact O-N 2.95Å; N983-N986 WeakPolarHBondContact OD1-CA 3.38Å; N983-F987 PolarHBondContact OD1-N 3.43Å; N983-Y988 PolarHBondContact ND2-O 2.75Å; N983-Y988 WeakPolarHBondContact OD1-CB 3.43Å; N983-Y988 PolarHBondContact OD1-N 3.01Å
984	E	87	Confident	90.1	Very high	71 Å²	71	52 Å²	52	33%	0.332	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-62.5	122	-178.8	-62.6	176.6	139	0	0	109.9	M958 S960 V982 N986	M958-E984 WeakPolarHBondContact CE-OE1 3.3Å; M958-E984 VanDerWaalsContact O-CB 3.3Å; M958-E984 WeakPolarHBondContact O-CB 3.44Å; S960-E984 WeakPolarHBondContact CB-OE2 3.44Å; S960-E984 PolarHBondContact O-N 3.37Å; S960-E984 PolarHBondContact OG-OE2 3.28Å; V982-E984 HydrophobicContact CG1-CG 3.88Å; E984-N986 VanDerWaalsContact C-N 3.33Å
985	G	79.9	Confident	90.3	Very high	43 Å²	43	50.2 Å²	50.2	44%	0.443	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	83.2	-5.2	-171.8	0	0	0	0	0	115.9	N983 F987	N983-G985 PolarHBondContact O-N 3.15Å; G985-F987 VanDerWaalsContact C-N 3.3Å; G985-F987 VanDerWaalsContact CA-CE2 3.47Å; G985-F987 WeakPolarHBondContact O-CD2 3.34Å; G985-F987 WeakPolarHBondContact O-CE2 3.36Å; G985-F987 WeakPolarHBondContact O-CZ 3.3Å; G985-F987 PolarHBondContact O-N 3.36Å
986	N	89	Confident	90.5	Very high	134 Å²	134	53 Å²	53	72%	0.717	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	60.3	29.4	179.7	-60.7	-73	0	0	0	115.4	N983 E984	N983-N986 PolarHBondContact O-N 2.95Å; N983-N986 WeakPolarHBondContact OD1-CA 3.38Å; E984-N986 VanDerWaalsContact C-N 3.33Å
987	F	91.3	Very high	90.6	Very high	73 Å²	73	50.9 Å²	50.9	32%	0.32	29%	0.291	S	S	.	.			trans	-85.3	-9.4	-176.1	-61.6	-63.6	0	0	0	114.6	L959 N983 G985 F995 T996 P998	L959-F987 HydrophobicContact CD2-CD2 3.7Å; L959-F987 HydrophobicContact CD2-CE2 3.53Å; N983-F987 PolarHBondContact OD1-N 3.43Å; G985-F987 VanDerWaalsContact C-N 3.3Å; G985-F987 VanDerWaalsContact CA-CE2 3.47Å; G985-F987 WeakPolarHBondContact O-CD2 3.34Å; G985-F987 WeakPolarHBondContact O-CE2 3.36Å; G985-F987 WeakPolarHBondContact O-CZ 3.3Å; G985-F987 PolarHBondContact O-N 3.36Å; F987-F995 HydrophobicContact CB-CD2 4.2Å; F987-F995 HydrophobicContact CB-CE2 3.7Å; F987-F995 HydrophobicContact CB-CZ 4.42Å; F987-F995 WeakPolarHBondContact O-CA 3.41Å; F987-F995 WeakPolarHBondContact O-CD2 3.13Å; F987-T996 PolarHBondContact O-N 3.23Å; F987-P998 HydrophobicContact CD1-CB 3.77Å; F987-P998 HydrophobicContact CD1-CG 3.97Å; F987-P998 HydrophobicContact CD2-CB 4.33Å; F987-P998 HydrophobicContact CD2-CG 3.74Å; F987-P998 HydrophobicContact CE1-CB 3.48Å; F987-P998 VanDerWaalsContact CE1-CB 3.48Å; F987-P998 HydrophobicContact CE1-CG 3.98Å; F987-P998 HydrophobicContact CE2-CB 4.04Å; F987-P998 HydrophobicContact CE2-CG 3.7Å; F987-P998 HydrophobicContact CG-CB 4.2Å; F987-P998 HydrophobicContact CG-CG 3.86Å; F987-P998 HydrophobicContact CZ-CB 3.61Å; F987-P998 HydrophobicContact CZ-CG 3.83Å
988	Y	94	Very high	90.6	Very high	3 Å²	3	52.1 Å²	52.1	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131.4	163.5	179.7	-102.9	0	0	0	111	F961 A963 F977 V980 N983 P990 G993 F995 F1090	F961-Y988 HydrophobicContact CD2-CD1 4.29Å; F961-Y988 AromaticContact CD2-CD2 3.76Å; F961-Y988 HydrophobicContact CD2-CD2 3.76Å; F961-Y988 HydrophobicContact CD2-CE2 4.47Å; F961-Y988 AromaticContact CD2-CG 3.65Å; F961-Y988 HydrophobicContact CD2-CG 3.65Å; F961-Y988 AromaticContact CE2-CD2 3.59Å; F961-Y988 HydrophobicContact CE2-CD2 3.59Å; F961-Y988 HydrophobicContact CE2-CE2 4.08Å; F961-Y988 HydrophobicContact CE2-CG 4.01Å; F961-Y988 HydrophobicContact CG-CD2 4.43Å; F961-Y988 HydrophobicContact CG-CG 4.11Å; F961-Y988 HydrophobicContact CZ-CD2 4.12Å; A963-Y988 HydrophobicContact CB-CD1 4.1Å; A963-Y988 HydrophobicContact CB-CE1 3.57Å; F977-Y988 WeakPolarHBondContact CB-OH 3.41Å; F977-Y988 PolarHBondContact N-OH 2.92Å; F977-Y988 PolarHBondContact O-OH 3.47Å; V980-Y988 HydrophobicContact CG2-CD1 4.47Å; N983-Y988 PolarHBondContact ND2-O 2.75Å; N983-Y988 WeakPolarHBondContact OD1-CB 3.43Å; N983-Y988 PolarHBondContact OD1-N 3.01Å; Y988-P990 HydrophobicContact CD1-CB 4.43Å; Y988-P990 HydrophobicContact CE1-CB 4.01Å; Y988-P990 WeakPolarHBondContact O-CD 3.34Å; Y988-G993 WeakPolarHBondContact OH-CA 3.45Å; Y988-F995 HydrophobicContact CD2-CB 4.16Å; Y988-F1090 AromaticContact CE2-CD1 3.98Å; Y988-F1090 HydrophobicContact CE2-CD1 3.98Å; Y988-F1090 HydrophobicContact CE2-CE1 4.09Å
989	N	93	Very high	90.7	Very high	73 Å²	73	50.6 Å²	50.6	39%	0.39	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	104.8	177	-176.5	-17.6	0	0	0	111.1	A991 T992 G993 V994	N989-A991 PolarHBondContact O-N 2.84Å; N989-A991 WeakPolarHBondContact OD1-CB 3.4Å; N989-A991 PolarHBondContact OD1-N 3.44Å; N989-T992 WeakPolarHBondContact CB-OG1 2.83Å; N989-T992 PolarHBondContact O-N 3.31Å; N989-T992 PolarHBondContact O-OG1 2.97Å; N989-G993 PolarHBondContact O-N 2.9Å; N989-V994 PolarHBondContact N-O 3.38Å
990	P	90.3	Very high	90.9	Very high	47 Å²	47	50 Å²	50	31%	0.305	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-3.6	-177.2	32.1	-37.3	0	0	0	114.4	V976 V980 Y988	V976-P990 WeakPolarHBondContact CG1-O 3.49Å; V980-P990 HydrophobicContact CG2-CB 3.67Å; V980-P990 HydrophobicContact CG2-CG 3.87Å; Y988-P990 HydrophobicContact CD1-CB 4.43Å; Y988-P990 HydrophobicContact CE1-CB 4.01Å; Y988-P990 WeakPolarHBondContact O-CD 3.34Å
991	A	88.9	Confident	90.9	Very high	80 Å²	80	47.3 Å²	47.3	66%	0.661	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-24.5	171.9	0	0	0	0	0	112.7	N989	N989-A991 PolarHBondContact O-N 2.84Å; N989-A991 WeakPolarHBondContact OD1-CB 3.4Å; N989-A991 PolarHBondContact OD1-N 3.44Å
992	T	90.3	Very high	91	Very high	66 Å²	66	45.2 Å²	45.2	41%	0.405	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-19.6	-179.9	60.7	0	0	0	0	113.8	N989 V994	N989-T992 WeakPolarHBondContact CB-OG1 2.83Å; N989-T992 PolarHBondContact O-N 3.31Å; N989-T992 PolarHBondContact O-OG1 2.97Å; T992-V994 PolarHBondContact OG1-N 3.18Å
993	G	90.8	Very high	91.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	8.1	-174.8	0	0	0	0	0	114.4	Y988 N989	Y988-G993 WeakPolarHBondContact OH-CA 3.45Å; N989-G993 PolarHBondContact O-N 2.9Å
994	V	93.8	Very high	91.3	Very high	30 Å²	30	44.8 Å²	44.8	18%	0.182	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.7	-167.8	-176.4	0	0	0	0	111.4	N989 T992 T1070 C1072	N989-V994 PolarHBondContact N-O 3.38Å; T992-V994 PolarHBondContact OG1-N 3.18Å; V994-T1070 HydrophobicContact CG1-CG2 3.88Å; V994-C1072 HydrophobicContact CG2-CB 4.09Å
995	F	95	Very high	91.7	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.035	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	143.4	162.4	176.1	-100.3	0	0	0	110.3	F961 F987 Y988 A997 Y1003 F1005 L1065 T1070 V1071	F961-F995 AromaticContact CD1-CD2 3.4Å; F961-F995 HydrophobicContact CD1-CD2 3.4Å; F961-F995 AromaticContact CD1-CE2 3.73Å; F961-F995 HydrophobicContact CD1-CE2 3.73Å; F961-F995 HydrophobicContact CD1-CG 4.18Å; F961-F995 HydrophobicContact CE1-CB 3.8Å; F961-F995 HydrophobicContact CE1-CD1 4.32Å; F961-F995 AromaticContact CE1-CD2 3.21Å; F961-F995 HydrophobicContact CE1-CD2 3.21Å; F961-F995 AromaticContact CE1-CE2 3.8Å; F961-F995 HydrophobicContact CE1-CE2 3.8Å; F961-F995 AromaticContact CE1-CG 3.52Å; F961-F995 HydrophobicContact CE1-CG 3.52Å; F961-F995 HydrophobicContact CG-CD2 4.41Å; F961-F995 HydrophobicContact CZ-CB 3.88Å; F961-F995 HydrophobicContact CZ-CD2 4.13Å; F961-F995 HydrophobicContact CZ-CG 4.12Å; F987-F995 HydrophobicContact CB-CD2 4.2Å; F987-F995 HydrophobicContact CB-CE2 3.7Å; F987-F995 HydrophobicContact CB-CZ 4.42Å; F987-F995 WeakPolarHBondContact O-CA 3.41Å; F987-F995 WeakPolarHBondContact O-CD2 3.13Å; Y988-F995 HydrophobicContact CD2-CB 4.16Å; F995-A997 HydrophobicContact CE1-CB 4.18Å; F995-Y1003 HydrophobicContact CE1-CD1 4.06Å; F995-Y1003 AromaticContact CE1-CE1 3.98Å; F995-Y1003 HydrophobicContact CE1-CE1 3.98Å; F995-Y1003 HydrophobicContact CZ-CD1 4.01Å; F995-Y1003 AromaticContact CZ-CE1 3.69Å; F995-Y1003 HydrophobicContact CZ-CE1 3.69Å; F995-F1005 HydrophobicContact CB-CE1 4.4Å; F995-F1005 AromaticContact CD1-CE1 3.84Å; F995-F1005 HydrophobicContact CD1-CE1 3.84Å; F995-F1005 AromaticContact CD1-CZ 3.66Å; F995-F1005 HydrophobicContact CD1-CZ 3.66Å; F995-F1005 HydrophobicContact CE1-CE1 4.37Å; F995-F1005 AromaticContact CE1-CZ 3.91Å; F995-F1005 HydrophobicContact CE1-CZ 3.91Å; F995-F1005 HydrophobicContact CG-CE1 4.18Å; F995-F1005 HydrophobicContact CG-CZ 4.45Å; F995-L1065 HydrophobicContact CD1-CD1 4.4Å; F995-L1065 HydrophobicContact CE1-CD1 4.07Å; F995-T1070 CarbonylContact O-C 3.54Å; F995-T1070 VanDerWaalsContact O-CA 3.22Å; F995-T1070 WeakPolarHBondContact O-CA 3.34Å; F995-V1071 PolarHBondContact N-O 2.8Å; F995-V1071 PolarHBondContact O-N 3.48Å
996	T	94.4	Very high	92.4	Very high	58 Å²	58	40.1 Å²	40.1	36%	0.356	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.1	173.4	-53.4	0	0	0	0	109.9	F987 P998 D1069 T1070	F987-T996 PolarHBondContact O-N 3.23Å; T996-P998 WeakPolarHBondContact O-CD 3.48Å; T996-D1069 WeakPolarHBondContact CA-O 3.36Å; T996-T1070 HydrophobicContact CG2-CG2 4.38Å
997	A	93.1	Very high	92.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.008	19%	0.193	C	C	.	.			trans	-66.4	122.6	-179.9	0	0	0	0	0	111.6	F995 Y1003 L1065 R1067 G1068 D1069	F995-A997 HydrophobicContact CE1-CB 4.18Å; A997-Y1003 HydrophobicContact CB-CE2 4.01Å; A997-L1065 HydrophobicContact CB-CB 3.79Å; A997-L1065 HydrophobicContact CB-CD1 3.81Å; A997-L1065 HydrophobicContact CB-CG 4.48Å; A997-R1067 CarbonylContact O-C 3.57Å; A997-R1067 WeakPolarHBondContact O-CA 3.48Å; A997-G1068 PolarHBondContact O-N 3.06Å; A997-D1069 PolarHBondContact N-O 2.87Å
998	P	90.1	Very high	92.5	Very high	26 Å²	26	32.4 Å²	32.4	17%	0.169	19%	0.191	C	C	.	.	S	Bend	trans	-86	-16.5	177.8	34.6	-39.1	0	0	0	114.4	L959 F987 T996 Y1003 R1067	L959-P998 HydrophobicContact CD1-CG 3.36Å; L959-P998 HydrophobicContact CD2-CG 4.34Å; L959-P998 HydrophobicContact CG-CG 4.49Å; F987-P998 HydrophobicContact CD1-CB 3.77Å; F987-P998 HydrophobicContact CD1-CG 3.97Å; F987-P998 HydrophobicContact CD2-CB 4.33Å; F987-P998 HydrophobicContact CD2-CG 3.74Å; F987-P998 HydrophobicContact CE1-CB 3.48Å; F987-P998 VanDerWaalsContact CE1-CB 3.48Å; F987-P998 HydrophobicContact CE1-CG 3.98Å; F987-P998 HydrophobicContact CE2-CB 4.04Å; F987-P998 HydrophobicContact CE2-CG 3.7Å; F987-P998 HydrophobicContact CG-CB 4.2Å; F987-P998 HydrophobicContact CG-CG 3.86Å; F987-P998 HydrophobicContact CZ-CB 3.61Å; F987-P998 HydrophobicContact CZ-CG 3.83Å; T996-P998 WeakPolarHBondContact O-CD 3.48Å; P998-Y1003 WeakPolarHBondContact CD-OH 3.38Å; P998-R1067 WeakPolarHBondContact O-CD 3.42Å; P998-R1067 VanDerWaalsContact O-CG 3.27Å; P998-R1067 WeakPolarHBondContact O-CG 3.35Å; P998-R1067 PolarHBondContact O-NE 3.44Å
999	V	91.1	Very high	92.2	Very high	35 Å²	35	32.3 Å²	32.3	21%	0.212	19%	0.19	C	C	.	.	S	Bend	trans	-139.2	161.4	-176.6	-62.6	0	0	0	0	110.1	L959 Y1003 L1094 E1097	L959-V999 HydrophobicContact CD1-CG2 3.95Å; V999-Y1003 WeakPolarHBondContact CG2-OH 3.39Å; V999-Y1003 PolarHBondContact O-OH 3.42Å; V999-L1094 HydrophobicContact CG2-CD2 4.07Å; V999-E1097 HydrophobicContact CG2-CG 4.13Å
1000	D	92	Very high	91.9	Very high	72 Å²	72	30.4 Å²	30.4	39%	0.385	18%	0.181	S	C	.	.	S	Bend	trans	-81.1	128.1	175.8	-72.4	23.8	0	0	0	109.1	L1065 R1067 E1097 N1098	D1000-L1065 WeakPolarHBondContact CA-O 3.48Å; D1000-R1067 VanDerWaalsContact OD1-CB 3.29Å; D1000-R1067 WeakPolarHBondContact OD1-CB 3.46Å; D1000-R1067 PolarHBondContact OD1-N 2.82Å; D1000-E1097 WeakPolarHBondContact O-CA 3.33Å; D1000-N1098 PolarHBondContact O-N 2.99Å
1001	G	91.7	Very high	91.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173	-176.8	-176.4	0	0	0	0	0	115.6	P1064 L1065 Y1096	G1001-P1064 WeakPolarHBondContact O-CA 3.44Å; G1001-L1065 PolarHBondContact N-O 2.85Å; G1001-L1065 PolarHBondContact O-N 3.26Å; G1001-Y1096 WeakPolarHBondContact CA-O 3.43Å
1002	H	92.8	Very high	90.4	Very high	46 Å²	46	28.8 Å²	28.8	21%	0.213	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	115.1	178.7	-73.6	-106.4	0	0	0	110.2	V1062 L1095 Y1096 N1098	H1002-V1062 HydrophobicContact CB-CG1 4.15Å; H1002-L1095 WeakPolarHBondContact O-CB 3.42Å; H1002-L1095 PolarHBondContact O-N 2.95Å; H1002-Y1096 HydrophobicContact CB-CD1 4.47Å; H1002-Y1096 HydrophobicContact CB-CD2 4.14Å; H1002-Y1096 HydrophobicContact CB-CE1 4.02Å; H1002-Y1096 HydrophobicContact CB-CE2 3.68Å; H1002-Y1096 AromaticContact CD2-CE2 3.37Å; H1002-Y1096 WeakPolarHBondContact CD2-CE2 3.17Å; H1002-Y1096 AromaticContact CD2-CZ 3.96Å; H1002-Y1096 AromaticContact CG-CE2 3.51Å; H1002-Y1096 AromaticContact CG-CZ 3.62Å; H1002-Y1096 PolarHBondContact N-O 3.24Å; H1002-N1098 PolarHBondContact CD2-OD1 3.01Å; H1002-N1098 VanDerWaalsContact CD2-OD1 3.29Å
1003	Y	93.9	Very high	89.3	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131	-177.8	-69.1	-97	0	0	0	110.5	L959 F995 A997 P998 V999 F1005 V1062 L1063 L1065 M1093 L1094	L959-Y1003 HydrophobicContact CD1-CE1 4.13Å; F995-Y1003 HydrophobicContact CE1-CD1 4.06Å; F995-Y1003 AromaticContact CE1-CE1 3.98Å; F995-Y1003 HydrophobicContact CE1-CE1 3.98Å; F995-Y1003 HydrophobicContact CZ-CD1 4.01Å; F995-Y1003 AromaticContact CZ-CE1 3.69Å; F995-Y1003 HydrophobicContact CZ-CE1 3.69Å; A997-Y1003 HydrophobicContact CB-CE2 4.01Å; P998-Y1003 WeakPolarHBondContact CD-OH 3.38Å; V999-Y1003 WeakPolarHBondContact CG2-OH 3.39Å; V999-Y1003 PolarHBondContact O-OH 3.42Å; Y1003-F1005 VanDerWaalsContact CB-CE2 3.46Å; Y1003-F1005 HydrophobicContact CG-CE2 4.4Å; Y1003-V1062 CarbonylContact O-C 3.52Å; Y1003-V1062 WeakPolarHBondContact O-CA 3.48Å; Y1003-L1063 PolarHBondContact N-O 3.36Å; Y1003-L1063 PolarHBondContact O-N 3.06Å; Y1003-L1065 HydrophobicContact CD2-CB 3.67Å; Y1003-L1065 HydrophobicContact CD2-CD1 3.64Å; Y1003-L1065 HydrophobicContact CD2-CG 3.68Å; Y1003-L1065 HydrophobicContact CE2-CB 3.83Å; Y1003-L1065 HydrophobicContact CE2-CD1 4.14Å; Y1003-L1065 HydrophobicContact CE2-CG 4.29Å; Y1003-L1065 HydrophobicContact CG-CD1 3.89Å; Y1003-L1065 HydrophobicContact CG-CG 4.28Å; Y1003-M1093 CarbonylContact C-O 3.57Å; Y1003-M1093 VanDerWaalsContact CA-O 3.22Å; Y1003-M1093 WeakPolarHBondContact CA-O 3.42Å; Y1003-L1094 HydrophobicContact CD1-CB 4.01Å; Y1003-L1094 HydrophobicContact CD1-CD1 4.29Å; Y1003-L1094 HydrophobicContact CD2-CD1 4.28Å; Y1003-L1094 HydrophobicContact CE1-CB 3.77Å; Y1003-L1094 HydrophobicContact CE1-CD1 3.94Å; Y1003-L1094 HydrophobicContact CE1-CG 4.4Å; Y1003-L1094 HydrophobicContact CE2-CD1 3.95Å; Y1003-L1094 HydrophobicContact CG-CD1 4.46Å
1004	Y	94.9	Very high	88.1	Confident	75 Å²	75	38.3 Å²	38.3	29%	0.294	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	127.6	168.3	173.7	-104.7	0	0	0	109.5	S1060 V1062 G1092 M1093	Y1004-S1060 PolarHBondContact OH-OG 3.26Å; Y1004-V1062 HydrophobicContact CD2-CG2 4.04Å; Y1004-G1092 CarbonylContact O-C 3.56Å; Y1004-G1092 WeakPolarHBondContact O-CA 3.25Å; Y1004-M1093 HydrophobicContact CD1-CE 4.34Å; Y1004-M1093 HydrophobicContact CD1-CG 4.21Å; Y1004-M1093 HydrophobicContact CD1-SD 4.36Å; Y1004-M1093 PolarHBondContact N-O 3.04Å; Y1004-M1093 PolarHBondContact O-N 3.29Å
1005	F	95.4	Very high	87	Confident	2 Å²	2	39 Å²	39	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140.3	171.9	-67.6	-86.3	0	0	0	110.4	F961 F995 Y1003 S1060 L1061 L1063 L1065 V1071 F1090 N1091	F961-F1005 HydrophobicContact CE1-CD1 4.29Å; F961-F1005 AromaticContact CE1-CE1 3.79Å; F961-F1005 HydrophobicContact CE1-CE1 3.79Å; F961-F1005 HydrophobicContact CZ-CD1 4.07Å; F961-F1005 AromaticContact CZ-CE1 3.87Å; F961-F1005 HydrophobicContact CZ-CE1 3.87Å; F995-F1005 HydrophobicContact CB-CE1 4.4Å; F995-F1005 AromaticContact CD1-CE1 3.84Å; F995-F1005 HydrophobicContact CD1-CE1 3.84Å; F995-F1005 AromaticContact CD1-CZ 3.66Å; F995-F1005 HydrophobicContact CD1-CZ 3.66Å; F995-F1005 HydrophobicContact CE1-CE1 4.37Å; F995-F1005 AromaticContact CE1-CZ 3.91Å; F995-F1005 HydrophobicContact CE1-CZ 3.91Å; F995-F1005 HydrophobicContact CG-CE1 4.18Å; F995-F1005 HydrophobicContact CG-CZ 4.45Å; Y1003-F1005 VanDerWaalsContact CB-CE2 3.46Å; Y1003-F1005 HydrophobicContact CG-CE2 4.4Å; F1005-S1060 WeakPolarHBondContact O-CA 3.46Å; F1005-L1061 PolarHBondContact N-O 3.16Å; F1005-L1061 PolarHBondContact O-N 2.86Å; F1005-L1063 HydrophobicContact CD2-CB 4.25Å; F1005-L1063 HydrophobicContact CD2-CD1 3.83Å; F1005-L1063 HydrophobicContact CD2-CG 4.12Å; F1005-L1063 HydrophobicContact CE2-CB 4.25Å; F1005-L1063 HydrophobicContact CE2-CD1 4.09Å; F1005-L1065 HydrophobicContact CE2-CD1 3.78Å; F1005-L1065 HydrophobicContact CE2-CG 4.47Å; F1005-L1065 HydrophobicContact CZ-CD1 3.76Å; F1005-V1071 HydrophobicContact CD1-CG1 4.09Å; F1005-V1071 HydrophobicContact CD2-CG1 4.44Å; F1005-V1071 HydrophobicContact CE1-CB 3.98Å; F1005-V1071 HydrophobicContact CE1-CG1 3.89Å; F1005-V1071 HydrophobicContact CE1-CG2 4.35Å; F1005-V1071 HydrophobicContact CE2-CB 4.42Å; F1005-V1071 HydrophobicContact CE2-CG1 4.27Å; F1005-V1071 HydrophobicContact CE2-CG2 3.97Å; F1005-V1071 HydrophobicContact CG-CG1 4.35Å; F1005-V1071 HydrophobicContact CZ-CB 3.85Å; F1005-V1071 HydrophobicContact CZ-CG1 4Å; F1005-V1071 HydrophobicContact CZ-CG2 3.71Å; F1005-F1090 HydrophobicContact CB-CE2 4.34Å; F1005-F1090 AromaticContact CD1-CE2 3.7Å; F1005-F1090 HydrophobicContact CD1-CE2 3.7Å; F1005-F1090 AromaticContact CD1-CZ 3.82Å; F1005-F1090 HydrophobicContact CD1-CZ 3.82Å; F1005-F1090 HydrophobicContact CE1-CZ 4.25Å; F1005-F1090 HydrophobicContact CG-CE2 4.44Å; F1005-N1091 WeakPolarHBondContact CA-O 3.23Å
1006	S	94.3	Very high	86	Confident	14 Å²	14	42.2 Å²	42.2	10%	0.098	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	125.7	168.9	-174.3	0	0	0	0	111.2	F1059 S1060 N1091	S1006-F1059 CarbonylContact C-O 3.56Å; S1006-F1059 WeakPolarHBondContact CA-O 3.42Å; S1006-F1059 PolarHBondContact OG-O 3.08Å; S1006-F1059 VanDerWaalsContact OG-O 3.1Å; S1006-S1060 PolarHBondContact OG-OG 2.88Å; S1006-N1091 PolarHBondContact N-O 3.27Å; S1006-N1091 WeakPolarHBondContact O-CB 3.36Å; S1006-N1091 PolarHBondContact O-N 3.45Å; S1006-N1091 PolarHBondContact O-ND2 2.83Å
1007	A	91.6	Very high	85.6	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125.9	177.7	0	0	0	0	0	109.9	V1058 F1059 V1073 V1089 F1090	A1007-V1058 CarbonylContact O-C 3.58Å; A1007-V1058 WeakPolarHBondContact O-CA 3.46Å; A1007-F1059 HydrophobicContact CB-CB 4.26Å; A1007-F1059 HydrophobicContact CB-CD2 3.89Å; A1007-F1059 HydrophobicContact CB-CG 4.47Å; A1007-F1059 PolarHBondContact N-O 3.42Å; A1007-F1059 PolarHBondContact O-N 2.69Å; A1007-V1073 HydrophobicContact CB-CG2 3.95Å; A1007-V1089 CarbonylContact C-O 3.54Å; A1007-V1089 WeakPolarHBondContact CA-O 3.48Å; A1007-F1090 HydrophobicContact CB-CB 4.38Å; A1007-F1090 HydrophobicContact CB-CD2 3.77Å; A1007-F1090 HydrophobicContact CB-CE2 4.5Å; A1007-F1090 HydrophobicContact CB-CG 4.4Å
1008	V	91.1	Very high	85.3	Confident	44 Å²	44	40.7 Å²	40.7	27%	0.267	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.2	173.6	179.3	0	0	0	0	107.1	L1056 V1058 T1088 V1089	V1008-L1056 HydrophobicContact CG1-CD1 3.84Å; V1008-V1058 HydrophobicContact CG1-CG2 4.37Å; V1008-V1058 HydrophobicContact CG2-CG1 4.25Å; V1008-V1058 HydrophobicContact CG2-CG2 4.33Å; V1008-T1088 CarbonylContact O-C 3.47Å; V1008-T1088 VanDerWaalsContact O-CA 3.24Å; V1008-T1088 WeakPolarHBondContact O-CA 3.32Å; V1008-V1089 PolarHBondContact N-O 2.96Å; V1008-V1089 PolarHBondContact O-N 3.4Å
1009	L	88.4	Confident	85.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	113.9	175.6	-50.3	-176.9	0	0	0	109.1	F977 I1017 A1019 L1056 A1057 F1059 V1073 L1080 T1088	F977-L1009 HydrophobicContact CE1-CD2 4.04Å; F977-L1009 HydrophobicContact CZ-CD2 3.84Å; L1009-I1017 HydrophobicContact CB-CD1 4.34Å; L1009-I1017 HydrophobicContact CD1-CG2 4.36Å; L1009-I1017 WeakPolarHBondContact O-CD1 3.28Å; L1009-A1019 HydrophobicContact CD1-CB 3.41Å; L1009-A1019 VanDerWaalsContact CD1-CB 3.41Å; L1009-L1056 WeakPolarHBondContact O-CA 3.4Å; L1009-A1057 HydrophobicContact CB-CB 4.27Å; L1009-A1057 PolarHBondContact N-O 2.62Å; L1009-A1057 PolarHBondContact O-N 3Å; L1009-F1059 HydrophobicContact CD1-CE2 4Å; L1009-F1059 HydrophobicContact CG-CE2 4.42Å; L1009-V1073 HydrophobicContact CD1-CG1 4.06Å; L1009-V1073 HydrophobicContact CD2-CG1 4.39Å; L1009-L1080 HydrophobicContact CB-CD2 4.03Å; L1009-L1080 HydrophobicContact CD2-CD1 4.36Å; L1009-T1088 HydrophobicContact CD2-CG2 3.74Å
1010	T	85.4	Confident	85.3	Confident	33 Å²	33	38.5 Å²	38.5	20%	0.202	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	130	168.7	-59.1	0	0	0	0	108.7	P1081 L1087 T1088	T1010-P1081 WeakPolarHBondContact O-CD 3.37Å; T1010-L1087 VanDerWaalsContact CB-O 3.32Å; T1010-L1087 WeakPolarHBondContact CB-O 3.35Å; T1010-L1087 HydrophobicContact CG2-CB 4.18Å; T1010-L1087 HydrophobicContact CG2-CD1 4.44Å; T1010-L1087 PolarHBondContact OG1-O 3.33Å; T1010-T1088 PolarHBondContact N-OG1 3.37Å; T1010-T1088 PolarHBondContact O-OG1 2.92Å
1011	G	77.4	Confident	85.4	Confident	5 Å²	5	35.1 Å²	35.1	5%	0.052	17%	0.17	C	C	.	.			trans	-107.2	172.9	-174.5	0	0	0	0	0	113.4	I1017 S1055	G1011-I1017 VanDerWaalsContact CA-CD1 3.44Å; G1011-I1017 VanDerWaalsContact N-CD1 3.29Å; G1011-S1055 WeakPolarHBondContact CA-OG 3.42Å; G1011-S1055 PolarHBondContact N-O 2.85Å
1012	H	71.4	Confident	85.4	Confident	89 Å²	89	35.2 Å²	35.2	41%	0.412	17%	0.171	S	C	.	.			trans	-68	149.1	179.1	-161.7	-84.8	0	0	0	111.4	N1014 E1015 S1055 R1079	H1012-N1014 PolarHBondContact O-N 2.9Å; H1012-E1015 HydrophobicContact CB-CB 4.22Å; H1012-E1015 PolarHBondContact O-N 3Å; H1012-S1055 PolarHBondContact O-OG 3.31Å; H1012-R1079 PolarHBondContact N-O 2.82Å; H1012-R1079 VanDerWaalsContact N-O 3.16Å
1013	K	66.1	Low	85.4	Confident	154 Å²	154	35.3 Å²	35.3	67%	0.67	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	137	174.7	-70	-177	178.3	-179.8	0	110.1	E1015	K1013-E1015 VanDerWaalsContact C-N 3.3Å; K1013-E1015 PolarHBondContact O-N 3.48Å
1014	N	66.7	Low	85.2	Confident	111 Å²	111	36.8 Å²	36.8	59%	0.594	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	22.4	-176.6	-55.4	-19.3	0	0	0	116	H1012 V1051 S1052	H1012-N1014 PolarHBondContact O-N 2.9Å; N1014-V1051 WeakPolarHBondContact OD1-CG1 3.43Å; N1014-S1052 PolarHBondContact OD1-O 2.87Å
1015	E	69.4	Low	84.7	Confident	44 Å²	44	40.2 Å²	40.2	21%	0.206	21%	0.205	C	C	.	.			trans	-126.2	133.4	-177.8	-162.7	164.6	156	0	0	112.7	H1012 K1013 S1055 G1078 R1079	H1012-E1015 HydrophobicContact CB-CB 4.22Å; H1012-E1015 PolarHBondContact O-N 3Å; K1013-E1015 VanDerWaalsContact C-N 3.3Å; K1013-E1015 PolarHBondContact O-N 3.48Å; E1015-S1055 WeakPolarHBondContact O-CB 3.44Å; E1015-S1055 PolarHBondContact O-OG 2.88Å; E1015-G1078 WeakPolarHBondContact OE1-CA 3.44Å; E1015-R1079 WeakPolarHBondContact OE1-CB 3.47Å; E1015-R1079 WeakPolarHBondContact OE1-CG 3.31Å; E1015-R1079 IonicContact OE1-CZ 3.26Å; E1015-R1079 PolarHBondContact OE1-N 3.46Å; E1015-R1079 IonicContact OE1-NE 2.97Å; E1015-R1079 PolarHBondContact OE1-NE 2.87Å; E1015-R1079 IonicContact OE1-NH2 3.58Å; E1015-R1079 IonicContact OE2-CZ 3.48Å; E1015-R1079 VanDerWaalsContact OE2-CZ 3.26Å; E1015-R1079 IonicContact OE2-NE 3.94Å; E1015-R1079 PolarHBondContact OE2-NE 3.32Å; E1015-R1079 IonicContact OE2-NH2 2.86Å; E1015-R1079 PolarHBondContact OE2-NH2 2.92Å
1016	K	75.6	Confident	84.3	Confident	77 Å²	77	48.8 Å²	48.8	34%	0.335	24%	0.239	S	C	.	.			trans	-78.3	120.4	179.3	-153.6	-167.1	-148.8	-147.1	0	109.7	D1032 G1078	K1016-D1032 WeakPolarHBondContact CD-OD1 3.32Å; K1016-D1032 WeakPolarHBondContact CE-OD1 3.11Å; K1016-D1032 WeakPolarHBondContact CE-OD2 3.31Å; K1016-D1032 WeakPolarHBondContact CG-OD1 3.07Å; K1016-D1032 IonicContact NZ-OD1 3.7Å; K1016-D1032 PolarHBondContact NZ-OD1 3.04Å; K1016-D1032 IonicContact NZ-OD2 3.36Å; K1016-D1032 PolarHBondContact NZ-OD2 3.32Å; K1016-G1078 VanDerWaalsContact O-CA 3.26Å; K1016-G1078 WeakPolarHBondContact O-CA 3.37Å
1017	I	84.8	Confident	84	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.266	C	S	.	.			trans	-84.1	136.4	167.4	-51.9	166	0	0	0	108	L1009 G1011 A1019 D1032 S1033 A1057 L1075 R1077 L1080	L1009-I1017 HydrophobicContact CB-CD1 4.34Å; L1009-I1017 HydrophobicContact CD1-CG2 4.36Å; L1009-I1017 WeakPolarHBondContact O-CD1 3.28Å; G1011-I1017 VanDerWaalsContact CA-CD1 3.44Å; G1011-I1017 VanDerWaalsContact N-CD1 3.29Å; I1017-A1019 HydrophobicContact CG2-CB 4.41Å; I1017-D1032 WeakPolarHBondContact O-CA 3.27Å; I1017-S1033 PolarHBondContact N-OG 2.97Å; I1017-S1033 PolarHBondContact O-N 2.92Å; I1017-A1057 HydrophobicContact CB-CB 4.49Å; I1017-A1057 HydrophobicContact CD1-CB 4.35Å; I1017-A1057 HydrophobicContact CG2-CB 4.29Å; I1017-L1075 HydrophobicContact CG2-CD1 3.94Å; I1017-R1077 WeakPolarHBondContact CA-O 3.46Å; I1017-L1080 HydrophobicContact CD1-CD2 4.06Å; I1017-L1080 HydrophobicContact CG1-CD2 4.28Å; I1017-L1080 HydrophobicContact CG2-CD2 4.27Å
1018	E	87.6	Confident	83.8	Confident	25 Å²	25	55.8 Å²	55.8	12%	0.117	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.3	161	-171.3	175.9	-151.7	0	0	108.9	R1030 V1031 V1076 R1077	E1018-R1030 IonicContact OE1-CZ 3.45Å; E1018-R1030 IonicContact OE1-NE 3.1Å; E1018-R1030 PolarHBondContact OE1-NE 2.97Å; E1018-R1030 IonicContact OE1-NH2 3.61Å; E1018-R1030 PolarHBondContact OE1-NH2 3.22Å; E1018-R1030 IonicContact OE2-NH2 2.65Å; E1018-V1031 WeakPolarHBondContact CA-O 3.29Å; E1018-V1076 HydrophobicContact CB-CB 4.29Å; E1018-V1076 HydrophobicContact CG-CB 4.09Å; E1018-V1076 HydrophobicContact CG-CG1 4.43Å; E1018-V1076 WeakPolarHBondContact O-CA 3.47Å; E1018-V1076 PolarHBondContact O-N 3.06Å; E1018-R1077 HydrophobicContact CB-CB 3.69Å; E1018-R1077 PolarHBondContact N-O 3.39Å; E1018-R1077 PolarHBondContact O-N 3.41Å
1019	A	90.1	Very high	83.6	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	160.5	-177.6	0	0	0	0	0	111.9	L1009 I1017 R1030 V1031 F1059 V1073 D1074	L1009-A1019 HydrophobicContact CD1-CB 3.41Å; L1009-A1019 VanDerWaalsContact CD1-CB 3.41Å; I1017-A1019 HydrophobicContact CG2-CB 4.41Å; A1019-R1030 WeakPolarHBondContact O-CA 3.44Å; A1019-V1031 PolarHBondContact N-O 2.97Å; A1019-V1031 PolarHBondContact O-N 3.41Å; A1019-F1059 HydrophobicContact CB-CE2 4.07Å; A1019-F1059 HydrophobicContact CB-CZ 3.82Å; A1019-F1059 WeakPolarHBondContact O-CZ 3.23Å; A1019-V1073 HydrophobicContact CB-CG1 4.44Å; A1019-D1074 CarbonylContact C-O 3.33Å; A1019-D1074 VanDerWaalsContact CA-O 3.29Å; A1019-D1074 WeakPolarHBondContact CA-O 3.41Å
1020	V	91.9	Very high	83.6	Confident	15 Å²	15	62.2 Å²	62.2	9%	0.091	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.3	-179.5	169.3	0	0	0	0	110	S1027 A1029 R1030 V1073 D1074 V1076	V1020-S1027 VanDerWaalsContact CG1-CB 3.48Å; V1020-A1029 CarbonylContact C-O 3.56Å; V1020-A1029 VanDerWaalsContact CA-O 3.26Å; V1020-A1029 WeakPolarHBondContact CA-O 3.38Å; V1020-R1030 HydrophobicContact CG2-CB 4.09Å; V1020-R1030 HydrophobicContact CG2-CG 3.88Å; V1020-V1073 CarbonylContact O-C 3.46Å; V1020-V1073 WeakPolarHBondContact O-CA 3.43Å; V1020-D1074 PolarHBondContact N-O 3.44Å; V1020-D1074 PolarHBondContact O-N 3.12Å; V1020-V1076 HydrophobicContact CB-CG2 4.43Å; V1020-V1076 HydrophobicContact CG2-CG2 3.78Å
1021	L	93.2	Very high	83.5	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	113.1	162.8	-176.3	70.2	0	0	0	107.6	V1028 A1029 F1059 L1063 V1071 V1073 F1090	L1021-V1028 PolarHBondContact O-N 3.13Å; L1021-A1029 HydrophobicContact CB-CB 4.35Å; L1021-A1029 PolarHBondContact N-O 3.47Å; L1021-A1029 PolarHBondContact O-N 3.19Å; L1021-F1059 HydrophobicContact CB-CD1 3.74Å; L1021-F1059 HydrophobicContact CB-CE1 3.95Å; L1021-F1059 HydrophobicContact CB-CG 4.41Å; L1021-L1063 HydrophobicContact CD2-CD1 4.14Å; L1021-V1071 HydrophobicContact CD1-CG1 3.76Å; L1021-V1071 HydrophobicContact CG-CG1 4.36Å; L1021-V1073 HydrophobicContact CD1-CG2 3.92Å; L1021-F1090 HydrophobicContact CD1-CE2 4.24Å; L1021-F1090 HydrophobicContact CD1-CZ 4.39Å
1022	A	92	Very high	83.7	Confident	3 Å²	3	63.9 Å²	63.9	3%	0.025	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	139.3	-179.1	0	0	0	0	0	111	Y1026 V1071 C1072	A1022-Y1026 CarbonylContact C-O 3.58Å; A1022-Y1026 VanDerWaalsContact CA-O 3.27Å; A1022-Y1026 WeakPolarHBondContact CA-O 3.28Å; A1022-V1071 WeakPolarHBondContact O-CA 3.45Å; A1022-C1072 PolarHBondContact N-O 3.29Å; A1022-C1072 PolarHBondContact O-N 3.27Å; A1022-C1072 VanDerWaalsContact O-N 3.07Å
1023	K	93.2	Very high	83.8	Confident	47 Å²	47	61.3 Å²	61.3	20%	0.204	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.2	169.6	179.8	-167.8	169.6	175.5	0	108.5	N1025 Y1026 V1028 P1064 L1065 D1069 T1070 V1071	K1023-N1025 PolarHBondContact O-N 3.37Å; K1023-N1025 VanDerWaalsContact O-N 3.17Å; K1023-Y1026 PolarHBondContact N-O 3.32Å; K1023-Y1026 WeakPolarHBondContact O-CB 3.47Å; K1023-Y1026 PolarHBondContact O-N 3.42Å; K1023-V1028 HydrophobicContact CB-CG2 3.51Å; K1023-P1064 PolarHBondContact NZ-O 2.95Å; K1023-L1065 HydrophobicContact CD-CD2 3.6Å; K1023-L1065 VanDerWaalsContact CE-CD2 3.45Å; K1023-L1065 HydrophobicContact CG-CD2 3.87Å; K1023-D1069 WeakPolarHBondContact CE-OD1 3.46Å; K1023-D1069 WeakPolarHBondContact CE-OD2 3.47Å; K1023-D1069 IonicContact NZ-OD1 3.63Å; K1023-D1069 IonicContact NZ-OD2 3.39Å; K1023-D1069 PolarHBondContact NZ-OD2 3.25Å; K1023-T1070 CarbonylContact C-O 3.42Å; K1023-T1070 VanDerWaalsContact CA-O 3.27Å; K1023-T1070 WeakPolarHBondContact CA-O 3.42Å; K1023-V1071 HydrophobicContact CG-CG2 4.43Å
1024	S	89.3	Confident	83.5	Confident	32 Å²	32	56.5 Å²	56.5	22%	0.224	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	43.1	175.9	-58.2	0	0	0	0	112.5	Y1026 D1069 T1070	S1024-Y1026 VanDerWaalsContact C-N 3.29Å; S1024-Y1026 VanDerWaalsContact O-CD2 3.3Å; S1024-Y1026 WeakPolarHBondContact O-CD2 3.25Å; S1024-Y1026 PolarHBondContact O-N 2.87Å; S1024-D1069 WeakPolarHBondContact OG-CA 3.45Å; S1024-D1069 PolarHBondContact OG-OD1 3.26Å; S1024-T1070 WeakPolarHBondContact CA-OG1 3.47Å; S1024-T1070 PolarHBondContact N-O 3.4Å; S1024-T1070 PolarHBondContact OG-N 3.49Å
1025	N	84.8	Confident	82.9	Confident	147 Å²	147	53 Å²	53	79%	0.786	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	3.8	-173.4	-50	-45.8	0	0	0	117.1	K1023	K1023-N1025 PolarHBondContact O-N 3.37Å; K1023-N1025 VanDerWaalsContact O-N 3.17Å
1026	Y	86.6	Confident	81.3	Confident	181 Å²	181	61 Å²	61	71%	0.71	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	131.1	171.9	-63.9	-86.5	0	0	0	111.3	A1022 K1023 S1024 V1028	A1022-Y1026 CarbonylContact C-O 3.58Å; A1022-Y1026 VanDerWaalsContact CA-O 3.27Å; A1022-Y1026 WeakPolarHBondContact CA-O 3.28Å; K1023-Y1026 PolarHBondContact N-O 3.32Å; K1023-Y1026 WeakPolarHBondContact O-CB 3.47Å; K1023-Y1026 PolarHBondContact O-N 3.42Å; S1024-Y1026 VanDerWaalsContact C-N 3.29Å; S1024-Y1026 VanDerWaalsContact O-CD2 3.3Å; S1024-Y1026 WeakPolarHBondContact O-CD2 3.25Å; S1024-Y1026 PolarHBondContact O-N 2.87Å; Y1026-V1028 PolarHBondContact O-N 2.87Å
1027	S	86.7	Confident	79.7	Confident	95 Å²	95	64.8 Å²	64.8	66%	0.664	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	115.9	175	56.3	0	0	0	0	111.5	V1020	V1020-S1027 VanDerWaalsContact CG1-CB 3.48Å
1028	V	88.2	Confident	77.4	Confident	67 Å²	67	69.6 Å²	69.6	41%	0.406	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-36.3	-178.9	-171.8	0	0	0	0	112.4	L1021 K1023 Y1026 L1061 L1063	L1021-V1028 PolarHBondContact O-N 3.13Å; K1023-V1028 HydrophobicContact CB-CG2 3.51Å; Y1026-V1028 PolarHBondContact O-N 2.87Å; V1028-L1061 HydrophobicContact CG1-CD2 4.19Å; V1028-L1063 HydrophobicContact CG1-CD2 3.73Å
1029	A	87.1	Confident	75.5	Confident	29 Å²	29	76 Å²	76	24%	0.24	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	144.2	173.9	0	0	0	0	0	110.5	V1020 L1021 F1059 L1061	V1020-A1029 CarbonylContact C-O 3.56Å; V1020-A1029 VanDerWaalsContact CA-O 3.26Å; V1020-A1029 WeakPolarHBondContact CA-O 3.38Å; L1021-A1029 HydrophobicContact CB-CB 4.35Å; L1021-A1029 PolarHBondContact N-O 3.47Å; L1021-A1029 PolarHBondContact O-N 3.19Å; A1029-F1059 HydrophobicContact CB-CD1 4.09Å; A1029-F1059 HydrophobicContact CB-CE1 4.38Å; A1029-L1061 HydrophobicContact CB-CD2 4.38Å
1030	R	87.4	Confident	73.2	Confident	150 Å²	150	83.6 Å²	83.6	57%	0.566	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	135.7	175.8	-172.7	173.6	-176.7	167.1	-4.1	108.4	E1018 A1019 V1020	E1018-R1030 IonicContact OE1-CZ 3.45Å; E1018-R1030 IonicContact OE1-NE 3.1Å; E1018-R1030 PolarHBondContact OE1-NE 2.97Å; E1018-R1030 IonicContact OE1-NH2 3.61Å; E1018-R1030 PolarHBondContact OE1-NH2 3.22Å; E1018-R1030 IonicContact OE2-NH2 2.65Å; A1019-R1030 WeakPolarHBondContact O-CA 3.44Å; V1020-R1030 HydrophobicContact CG2-CB 4.09Å; V1020-R1030 HydrophobicContact CG2-CG 3.88Å
1031	V	84.6	Confident	70.6	Confident	34 Å²	34	90.4 Å²	90.4	21%	0.206	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.1	178	179.7	0	0	0	0	109.1	E1018 A1019 A1057 F1059	E1018-V1031 WeakPolarHBondContact CA-O 3.29Å; A1019-V1031 PolarHBondContact N-O 2.97Å; A1019-V1031 PolarHBondContact O-N 3.41Å; V1031-A1057 HydrophobicContact CB-CB 4.28Å; V1031-A1057 HydrophobicContact CG1-CB 3.55Å; V1031-F1059 HydrophobicContact CB-CE1 3.96Å; V1031-F1059 HydrophobicContact CB-CE2 4.25Å; V1031-F1059 HydrophobicContact CB-CZ 3.8Å; V1031-F1059 HydrophobicContact CG2-CD1 3.64Å; V1031-F1059 HydrophobicContact CG2-CD2 4.42Å; V1031-F1059 HydrophobicContact CG2-CE1 3.47Å; V1031-F1059 VanDerWaalsContact CG2-CE1 3.47Å; V1031-F1059 HydrophobicContact CG2-CE2 4.27Å; V1031-F1059 HydrophobicContact CG2-CG 4.13Å; V1031-F1059 HydrophobicContact CG2-CZ 3.8Å
1032	D	81.3	Confident	68	Low	39 Å²	39	98.9 Å²	98.9	21%	0.209	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	124	179.4	-176	-38.2	0	0	0	108.9	K1016 I1017 G1034 G1035	K1016-D1032 WeakPolarHBondContact CD-OD1 3.32Å; K1016-D1032 WeakPolarHBondContact CE-OD1 3.11Å; K1016-D1032 WeakPolarHBondContact CE-OD2 3.31Å; K1016-D1032 WeakPolarHBondContact CG-OD1 3.07Å; K1016-D1032 IonicContact NZ-OD1 3.7Å; K1016-D1032 PolarHBondContact NZ-OD1 3.04Å; K1016-D1032 IonicContact NZ-OD2 3.36Å; K1016-D1032 PolarHBondContact NZ-OD2 3.32Å; I1017-D1032 WeakPolarHBondContact O-CA 3.27Å; D1032-G1034 PolarHBondContact O-N 3.45Å; D1032-G1034 PolarHBondContact OD1-N 3.31Å; D1032-G1035 PolarHBondContact O-N 3.03Å
1033	S	72.9	Confident	65.7	Low	36 Å²	36	103.7 Å²	103.7	25%	0.252	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.7	-10.9	-175.5	73.5	0	0	0	0	114.5	I1017 S1055	I1017-S1033 PolarHBondContact N-OG 2.97Å; I1017-S1033 PolarHBondContact O-N 2.92Å; S1033-S1055 WeakPolarHBondContact OG-CB 3.35Å
1034	G	61.3	Low	62.9	Low	53 Å²	53	110 Å²	110	55%	0.546	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104	12.2	175.6	0	0	0	0	0	113.7	D1032	D1032-G1034 PolarHBondContact O-N 3.45Å; D1032-G1034 PolarHBondContact OD1-N 3.31Å
1035	G	52.3	Low	60.5	Low	36 Å²	36	115 Å²	115	37%	0.371	62%	0.618	S	S	.	*			trans	85.3	159.7	179.2	0	0	0	0	0	114	D1032 Q1037	D1032-G1035 PolarHBondContact O-N 3.03Å; G1035-Q1037 PolarHBondContact O-N 3.09Å
1036	Y	37.4	Very low	58.2	Low	212 Å²	212	114.7 Å²	114.7	83%	0.831	62%	0.621	S	S	*	*			trans	-75.8	102.9	-179	-169.9	-86.8	0	0	0	110.1
1037	Q	40.1	Very low	55.9	Low	158 Å²	158	110.2 Å²	110.2	74%	0.738	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-76.9	128.3	159.8	-78.2	-174.7	-42	0	0	108.1	G1035 E1039	G1035-Q1037 PolarHBondContact O-N 3.09Å; Q1037-E1039 PolarHBondContact O-N 3.24Å
1038	P	37.6	Very low	53.6	Low	101 Å²	101	115.3 Å²	115.3	66%	0.656	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-64.4	127.7	164.8	28.6	-31.9	0	0	0	108.5
1039	E	47	Very low	51.1	Low	161 Å²	161	117.7 Å²	117.7	75%	0.752	65%	0.654	S	S	*	*	S	Bend	trans	-64.2	150.3	162.8	-65	178.4	144.1	0	0	108.4	Q1037	Q1037-E1039 PolarHBondContact O-N 3.24Å
1040	D	41.6	Very low	48.8	Very low	158 Å²	158	125.9 Å²	125.9	85%	0.845	68%	0.684	S	S	*	*	S	Bend	trans	65.3	75.3	-176.4	-56.6	-27.5	0	0	0	117.6
1041	L	39.1	Very low	46.6	Very low	159 Å²	159	124.3 Å²	124.3	83%	0.832	69%	0.692	S	S	*	*	S	Bend		-173.5	125	115.1	-98.1	161.2	0	0	0	114.3
1042	E	38.3	Very low	44.6	Very low	178 Å²	178	126.8 Å²	126.8	83%	0.832	71%	0.71	S	S	*	*			trans	51.7	127.8	165.2	-56.6	-154	155.9	0	0	121.4
1043	A	43.6	Very low	42.8	Very low	104 Å²	104	130.5 Å²	130.5	86%	0.86	74%	0.739	S	S	*	*			trans	-91.5	118.6	-179.2	0	0	0	0	0	113.3
1044	K	34.4	Very low	42.1	Very low	181 Å²	181	130.3 Å²	130.3	79%	0.787	74%	0.743	S	S	*	*			trans	-136.8	139.6	154.3	-69.1	-175.8	-177	169.4	0	109.8	V1046	K1044-V1046 PolarHBondContact O-N 2.96Å
1045	P	39	Very low	42.6	Very low	136 Å²	136	128.3 Å²	128.3	88%	0.883	72%	0.721	S	S	*	*			trans	-74.6	94.8	178.2	30.5	-33.5	0	0	0	110.1
1046	V	35.5	Very low	43.9	Very low	140 Å²	140	130.9 Å²	130.9	85%	0.848	73%	0.725	S	S	*	*			trans	-67.8	137.4	165.6	-178.6	0	0	0	0	108.1	K1044	K1044-V1046 PolarHBondContact O-N 2.96Å
1047	A	37.8	Very low	46.1	Very low	88 Å²	88	120.8 Å²	120.8	73%	0.727	69%	0.686	S	S	*	*			trans	-54.8	144.6	-167.9	0	0	0	0	0	113.9	S1049	A1047-S1049 PolarHBondContact O-N 3.45Å
1048	E	38.4	Very low	48.5	Very low	201 Å²	201	116.4 Å²	116.4	94%	0.939	67%	0.67	S	S	*	*			trans	-53.6	110.4	179	-63.5	-177.7	134.1	0	0	111
1049	S	37.1	Very low	50.8	Low	117 Å²	117	112 Å²	112	82%	0.818	64%	0.64	S	S	*	*			trans	-70	135.3	179.3	51.3	0	0	0	0	110.3	A1047 V1051	A1047-S1049 PolarHBondContact O-N 3.45Å; S1049-V1051 PolarHBondContact O-N 3.23Å
1050	K	38.1	Very low	53	Low	201 Å²	201	107.6 Å²	107.6	87%	0.874	63%	0.627	S	S	*	*			trans	-48.8	130.8	-171	-69.8	173.3	176.2	173.6	0	112.8	S1052	K1050-S1052 PolarHBondContact O-N 3.06Å
1051	V	40.6	Very low	55.4	Low	118 Å²	118	103.2 Å²	103.2	72%	0.715	60%	0.603	S	S	*	*			trans	-3.8	105	160.3	-178.9	0	0	0	0	113.8	N1014 S1049	N1014-V1051 WeakPolarHBondContact OD1-CG1 3.43Å; S1049-V1051 PolarHBondContact O-N 3.23Å
1052	S	43.1	Very low	58	Low	85 Å²	85	98.6 Å²	98.6	59%	0.594	58%	0.582	S	S	*	*			trans	-102.5	134.1	180	-170.2	0	0	0	0	112	N1014 K1050 G1054	N1014-S1052 PolarHBondContact OD1-O 2.87Å; K1050-S1052 PolarHBondContact O-N 3.06Å; S1052-G1054 VanDerWaalsContact C-N 3.27Å; S1052-G1054 PolarHBondContact O-N 3.3Å
1053	S	44.4	Very low	60.6	Low	118 Å²	118	90.6 Å²	90.6	83%	0.825	54%	0.544	S	S	*	.	S	Bend	trans	-78.3	64.6	-169.4	-70.1	0	0	0	0	114.1
1054	G	57.9	Low	62.9	Low	31 Å²	31	89.1 Å²	89.1	32%	0.32	53%	0.526	S	S	.	.			trans	90.4	139.2	175.6	0	0	0	0	0	113	S1052	S1052-G1054 VanDerWaalsContact C-N 3.27Å; S1052-G1054 PolarHBondContact O-N 3.3Å
1055	S	70.8	Confident	65.8	Low	12 Å²	12	80.6 Å²	80.6	8%	0.084	49%	0.489	C	S	.	.			trans	-87.9	139.6	174.8	34.3	0	0	0	0	110.8	G1011 H1012 E1015 S1033	G1011-S1055 WeakPolarHBondContact CA-OG 3.42Å; G1011-S1055 PolarHBondContact N-O 2.85Å; H1012-S1055 PolarHBondContact O-OG 3.31Å; E1015-S1055 WeakPolarHBondContact O-CB 3.44Å; E1015-S1055 PolarHBondContact O-OG 2.88Å; S1033-S1055 WeakPolarHBondContact OG-CB 3.35Å
1056	L	80.9	Confident	68.3	Low	89 Å²	89	80.4 Å²	80.4	47%	0.466	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.5	173.5	-170.7	70.8	0	0	0	108.7	V1008 L1009 V1058	V1008-L1056 HydrophobicContact CG1-CD1 3.84Å; L1009-L1056 WeakPolarHBondContact O-CA 3.4Å; L1056-V1058 HydrophobicContact CD2-CG2 4.23Å; L1056-V1058 HydrophobicContact CG-CG2 4.1Å
1057	A	83.8	Confident	71	Confident	1 Å²	1	83.2 Å²	83.2	1%	0.008	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	127.6	173.5	0	0	0	0	0	108.7	L1009 I1017 V1031	L1009-A1057 HydrophobicContact CB-CB 4.27Å; L1009-A1057 PolarHBondContact N-O 2.62Å; L1009-A1057 PolarHBondContact O-N 3Å; I1017-A1057 HydrophobicContact CB-CB 4.49Å; I1017-A1057 HydrophobicContact CD1-CB 4.35Å; I1017-A1057 HydrophobicContact CG2-CB 4.29Å; V1031-A1057 HydrophobicContact CB-CB 4.28Å; V1031-A1057 HydrophobicContact CG1-CB 3.55Å
1058	V	88.8	Confident	73.6	Confident	66 Å²	66	81.3 Å²	81.3	40%	0.4	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.4	-176.9	-175.8	0	0	0	0	110.7	A1007 V1008 L1056	A1007-V1058 CarbonylContact O-C 3.58Å; A1007-V1058 WeakPolarHBondContact O-CA 3.46Å; V1008-V1058 HydrophobicContact CG1-CG2 4.37Å; V1008-V1058 HydrophobicContact CG2-CG1 4.25Å; V1008-V1058 HydrophobicContact CG2-CG2 4.33Å; L1056-V1058 HydrophobicContact CD2-CG2 4.23Å; L1056-V1058 HydrophobicContact CG-CG2 4.1Å
1059	F	87.8	Confident	76.3	Confident	8 Å²	8	72.9 Å²	72.9	4%	0.035	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.6	166.7	-54.2	-98.5	0	0	0	108.1	S1006 A1007 L1009 A1019 L1021 A1029 V1031 V1073	S1006-F1059 CarbonylContact C-O 3.56Å; S1006-F1059 WeakPolarHBondContact CA-O 3.42Å; S1006-F1059 PolarHBondContact OG-O 3.08Å; S1006-F1059 VanDerWaalsContact OG-O 3.1Å; A1007-F1059 HydrophobicContact CB-CB 4.26Å; A1007-F1059 HydrophobicContact CB-CD2 3.89Å; A1007-F1059 HydrophobicContact CB-CG 4.47Å; A1007-F1059 PolarHBondContact N-O 3.42Å; A1007-F1059 PolarHBondContact O-N 2.69Å; L1009-F1059 HydrophobicContact CD1-CE2 4Å; L1009-F1059 HydrophobicContact CG-CE2 4.42Å; A1019-F1059 HydrophobicContact CB-CE2 4.07Å; A1019-F1059 HydrophobicContact CB-CZ 3.82Å; A1019-F1059 WeakPolarHBondContact O-CZ 3.23Å; L1021-F1059 HydrophobicContact CB-CD1 3.74Å; L1021-F1059 HydrophobicContact CB-CE1 3.95Å; L1021-F1059 HydrophobicContact CB-CG 4.41Å; A1029-F1059 HydrophobicContact CB-CD1 4.09Å; A1029-F1059 HydrophobicContact CB-CE1 4.38Å; V1031-F1059 HydrophobicContact CB-CE1 3.96Å; V1031-F1059 HydrophobicContact CB-CE2 4.25Å; V1031-F1059 HydrophobicContact CB-CZ 3.8Å; V1031-F1059 HydrophobicContact CG2-CD1 3.64Å; V1031-F1059 HydrophobicContact CG2-CD2 4.42Å; V1031-F1059 HydrophobicContact CG2-CE1 3.47Å; V1031-F1059 VanDerWaalsContact CG2-CE1 3.47Å; V1031-F1059 HydrophobicContact CG2-CE2 4.27Å; V1031-F1059 HydrophobicContact CG2-CG 4.13Å; V1031-F1059 HydrophobicContact CG2-CZ 3.8Å; F1059-V1073 HydrophobicContact CE2-CG1 4.28Å
1060	S	91.6	Very high	79	Confident	68 Å²	68	69.2 Å²	69.2	48%	0.476	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	110.7	166.6	-71.8	0	0	0	0	107.8	Y1004 F1005 S1006	Y1004-S1060 PolarHBondContact OH-OG 3.26Å; F1005-S1060 WeakPolarHBondContact O-CA 3.46Å; S1006-S1060 PolarHBondContact OG-OG 2.88Å
1061	L	92.9	Very high	81.7	Confident	66 Å²	66	59.6 Å²	59.6	35%	0.346	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	144.5	-170.9	-172	59.3	0	0	0	111.6	F1005 V1028 A1029 L1063	F1005-L1061 PolarHBondContact N-O 3.16Å; F1005-L1061 PolarHBondContact O-N 2.86Å; V1028-L1061 HydrophobicContact CG1-CD2 4.19Å; A1029-L1061 HydrophobicContact CB-CD2 4.38Å; L1061-L1063 HydrophobicContact CD2-CD2 3.64Å; L1061-L1063 HydrophobicContact CD2-CG 4.5Å; L1061-L1063 HydrophobicContact CG-CD2 3.92Å; L1061-L1063 HydrophobicContact CG-CG 4.47Å
1062	V	93.4	Very high	84.2	Confident	63 Å²	63	54.4 Å²	54.4	38%	0.382	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.8	169	-178.5	0	0	0	0	109	H1002 Y1003 Y1004 L1095	H1002-V1062 HydrophobicContact CB-CG1 4.15Å; Y1003-V1062 CarbonylContact O-C 3.52Å; Y1003-V1062 WeakPolarHBondContact O-CA 3.48Å; Y1004-V1062 HydrophobicContact CD2-CG2 4.04Å; V1062-L1095 HydrophobicContact CG1-CD1 4.01Å; V1062-L1095 HydrophobicContact CG2-CD1 3.88Å
1063	L	92.4	Very high	86.6	Confident	9 Å²	9	50.3 Å²	50.3	5%	0.047	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.3	180	-63.5	-176.5	0	0	0	110.7	Y1003 F1005 L1021 V1028 L1061 L1065 V1071	Y1003-L1063 PolarHBondContact N-O 3.36Å; Y1003-L1063 PolarHBondContact O-N 3.06Å; F1005-L1063 HydrophobicContact CD2-CB 4.25Å; F1005-L1063 HydrophobicContact CD2-CD1 3.83Å; F1005-L1063 HydrophobicContact CD2-CG 4.12Å; F1005-L1063 HydrophobicContact CE2-CB 4.25Å; F1005-L1063 HydrophobicContact CE2-CD1 4.09Å; L1021-L1063 HydrophobicContact CD2-CD1 4.14Å; V1028-L1063 HydrophobicContact CG1-CD2 3.73Å; L1061-L1063 HydrophobicContact CD2-CD2 3.64Å; L1061-L1063 HydrophobicContact CD2-CG 4.5Å; L1061-L1063 HydrophobicContact CG-CD2 3.92Å; L1061-L1063 HydrophobicContact CG-CG 4.47Å; L1063-L1065 HydrophobicContact CB-CD2 4.03Å; L1063-L1065 HydrophobicContact CB-CG 4.43Å; L1063-L1065 PolarHBondContact O-N 3.41Å; L1063-V1071 HydrophobicContact CD1-CG1 4.44Å; L1063-V1071 HydrophobicContact CD1-CG2 4.42Å
1064	P	93.1	Very high	88.9	Confident	73 Å²	73	46.5 Å²	46.5	47%	0.474	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	121	163	29.7	-30.8	0	0	0	109.1	G1001 K1023	G1001-P1064 WeakPolarHBondContact O-CA 3.44Å; K1023-P1064 PolarHBondContact NZ-O 2.95Å
1065	L	93.7	Very high	90.4	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.4	176	-54.4	-174.6	0	0	0	110.2	F995 A997 D1000 G1001 Y1003 F1005 K1023 L1063 D1069 V1071	F995-L1065 HydrophobicContact CD1-CD1 4.4Å; F995-L1065 HydrophobicContact CE1-CD1 4.07Å; A997-L1065 HydrophobicContact CB-CB 3.79Å; A997-L1065 HydrophobicContact CB-CD1 3.81Å; A997-L1065 HydrophobicContact CB-CG 4.48Å; D1000-L1065 WeakPolarHBondContact CA-O 3.48Å; G1001-L1065 PolarHBondContact N-O 2.85Å; G1001-L1065 PolarHBondContact O-N 3.26Å; Y1003-L1065 HydrophobicContact CD2-CB 3.67Å; Y1003-L1065 HydrophobicContact CD2-CD1 3.64Å; Y1003-L1065 HydrophobicContact CD2-CG 3.68Å; Y1003-L1065 HydrophobicContact CE2-CB 3.83Å; Y1003-L1065 HydrophobicContact CE2-CD1 4.14Å; Y1003-L1065 HydrophobicContact CE2-CG 4.29Å; Y1003-L1065 HydrophobicContact CG-CD1 3.89Å; Y1003-L1065 HydrophobicContact CG-CG 4.28Å; F1005-L1065 HydrophobicContact CE2-CD1 3.78Å; F1005-L1065 HydrophobicContact CE2-CG 4.47Å; F1005-L1065 HydrophobicContact CZ-CD1 3.76Å; K1023-L1065 HydrophobicContact CD-CD2 3.6Å; K1023-L1065 VanDerWaalsContact CE-CD2 3.45Å; K1023-L1065 HydrophobicContact CG-CD2 3.87Å; L1063-L1065 HydrophobicContact CB-CD2 4.03Å; L1063-L1065 HydrophobicContact CB-CG 4.43Å; L1063-L1065 PolarHBondContact O-N 3.41Å; L1065-D1069 HydrophobicContact CB-CB 4.14Å; L1065-D1069 HydrophobicContact CD2-CB 4.21Å; L1065-V1071 HydrophobicContact CD1-CG2 3.71Å; L1065-V1071 HydrophobicContact CD2-CG2 3.82Å; L1065-V1071 HydrophobicContact CG-CG2 4.46Å
1066	Q	93.2	Very high	91.2	Very high	132 Å²	132	47.5 Å²	47.5	62%	0.617	26%	0.263	S	S	*	.			trans	-97.9	156.7	165.8	-68.7	176.1	-12.3	0	0	109.2	G1068 D1069	Q1066-G1068 PolarHBondContact O-N 3.48Å; Q1066-G1068 VanDerWaalsContact O-N 3.16Å; Q1066-D1069 PolarHBondContact N-OD2 3.11Å; Q1066-D1069 VanDerWaalsContact O-CB 3.27Å; Q1066-D1069 WeakPolarHBondContact O-CB 3.43Å; Q1066-D1069 PolarHBondContact O-N 3.38Å
1067	R	92	Very high	91.2	Very high	198 Å²	198	51.2 Å²	51.2	75%	0.747	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	118.1	176.6	177.1	171	-175.4	-167.9	1.4	111.5	A997 P998 D1000	A997-R1067 CarbonylContact O-C 3.57Å; A997-R1067 WeakPolarHBondContact O-CA 3.48Å; P998-R1067 WeakPolarHBondContact O-CD 3.42Å; P998-R1067 VanDerWaalsContact O-CG 3.27Å; P998-R1067 WeakPolarHBondContact O-CG 3.35Å; P998-R1067 PolarHBondContact O-NE 3.44Å; D1000-R1067 VanDerWaalsContact OD1-CB 3.29Å; D1000-R1067 WeakPolarHBondContact OD1-CB 3.46Å; D1000-R1067 PolarHBondContact OD1-N 2.82Å
1068	G	91.2	Very high	91	Very high	48 Å²	48	51.9 Å²	51.9	50%	0.495	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.7	-9.1	-175.8	0	0	0	0	0	114.8	A997 Q1066 T1070	A997-G1068 PolarHBondContact O-N 3.06Å; Q1066-G1068 PolarHBondContact O-N 3.48Å; Q1066-G1068 VanDerWaalsContact O-N 3.16Å; G1068-T1070 PolarHBondContact O-N 3.42Å
1069	D	94.8	Very high	90.6	Very high	25 Å²	25	53.3 Å²	53.3	13%	0.134	28%	0.276	C	S	.	.			trans	-60.2	136.1	168.7	-88	-48.6	0	0	0	110.4	T996 A997 K1023 S1024 L1065 Q1066	T996-D1069 WeakPolarHBondContact CA-O 3.36Å; A997-D1069 PolarHBondContact N-O 2.87Å; K1023-D1069 WeakPolarHBondContact CE-OD1 3.46Å; K1023-D1069 WeakPolarHBondContact CE-OD2 3.47Å; K1023-D1069 IonicContact NZ-OD1 3.63Å; K1023-D1069 IonicContact NZ-OD2 3.39Å; K1023-D1069 PolarHBondContact NZ-OD2 3.25Å; S1024-D1069 WeakPolarHBondContact OG-CA 3.45Å; S1024-D1069 PolarHBondContact OG-OD1 3.26Å; L1065-D1069 HydrophobicContact CB-CB 4.14Å; L1065-D1069 HydrophobicContact CD2-CB 4.21Å; Q1066-D1069 PolarHBondContact N-OD2 3.11Å; Q1066-D1069 VanDerWaalsContact O-CB 3.27Å; Q1066-D1069 WeakPolarHBondContact O-CB 3.43Å; Q1066-D1069 PolarHBondContact O-N 3.38Å
1070	T	94.4	Very high	90.1	Very high	39 Å²	39	53 Å²	53	24%	0.239	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	148.4	175.7	56.2	0	0	0	0	111.2	V994 F995 T996 K1023 S1024 G1068	V994-T1070 HydrophobicContact CG1-CG2 3.88Å; F995-T1070 CarbonylContact O-C 3.54Å; F995-T1070 VanDerWaalsContact O-CA 3.22Å; F995-T1070 WeakPolarHBondContact O-CA 3.34Å; T996-T1070 HydrophobicContact CG2-CG2 4.38Å; K1023-T1070 CarbonylContact C-O 3.42Å; K1023-T1070 VanDerWaalsContact CA-O 3.27Å; K1023-T1070 WeakPolarHBondContact CA-O 3.42Å; S1024-T1070 WeakPolarHBondContact CA-OG1 3.47Å; S1024-T1070 PolarHBondContact N-O 3.4Å; S1024-T1070 PolarHBondContact OG-N 3.49Å; G1068-T1070 PolarHBondContact O-N 3.42Å
1071	V	95.3	Very high	89	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131.4	172.7	-177	0	0	0	0	110.1	F995 F1005 L1021 A1022 K1023 L1063 L1065 F1090	F995-V1071 PolarHBondContact N-O 2.8Å; F995-V1071 PolarHBondContact O-N 3.48Å; F1005-V1071 HydrophobicContact CD1-CG1 4.09Å; F1005-V1071 HydrophobicContact CD2-CG1 4.44Å; F1005-V1071 HydrophobicContact CE1-CB 3.98Å; F1005-V1071 HydrophobicContact CE1-CG1 3.89Å; F1005-V1071 HydrophobicContact CE1-CG2 4.35Å; F1005-V1071 HydrophobicContact CE2-CB 4.42Å; F1005-V1071 HydrophobicContact CE2-CG1 4.27Å; F1005-V1071 HydrophobicContact CE2-CG2 3.97Å; F1005-V1071 HydrophobicContact CG-CG1 4.35Å; F1005-V1071 HydrophobicContact CZ-CB 3.85Å; F1005-V1071 HydrophobicContact CZ-CG1 4Å; F1005-V1071 HydrophobicContact CZ-CG2 3.71Å; L1021-V1071 HydrophobicContact CD1-CG1 3.76Å; L1021-V1071 HydrophobicContact CG-CG1 4.36Å; A1022-V1071 WeakPolarHBondContact O-CA 3.45Å; K1023-V1071 HydrophobicContact CG-CG2 4.43Å; L1063-V1071 HydrophobicContact CD1-CG1 4.44Å; L1063-V1071 HydrophobicContact CD1-CG2 4.42Å; L1065-V1071 HydrophobicContact CD1-CG2 3.71Å; L1065-V1071 HydrophobicContact CD2-CG2 3.82Å; L1065-V1071 HydrophobicContact CG-CG2 4.46Å; V1071-F1090 HydrophobicContact CG1-CZ 4.21Å
1072	C	93.1	Very high	87.8	Confident	8 Å²	8	53 Å²	53	5%	0.054	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	164.8	178.3	62.1	0	0	0	0	111.8	T974 V994 A1022	T974-C1072 HydrophobicContact CG2-CB 3.73Å; V994-C1072 HydrophobicContact CG2-CB 4.09Å; A1022-C1072 PolarHBondContact N-O 3.29Å; A1022-C1072 PolarHBondContact O-N 3.27Å; A1022-C1072 VanDerWaalsContact O-N 3.07Å
1073	V	93.4	Very high	86.2	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117.2	174.9	-176.8	0	0	0	0	108.5	V975 F977 A1007 L1009 A1019 V1020 L1021 F1059 F1090	V975-V1073 PolarHBondContact N-O 3.49Å; F977-V1073 HydrophobicContact CE2-CB 4.14Å; F977-V1073 HydrophobicContact CE2-CG2 4.32Å; F977-V1073 HydrophobicContact CZ-CB 4.3Å; F977-V1073 HydrophobicContact CZ-CG2 4.41Å; A1007-V1073 HydrophobicContact CB-CG2 3.95Å; L1009-V1073 HydrophobicContact CD1-CG1 4.06Å; L1009-V1073 HydrophobicContact CD2-CG1 4.39Å; A1019-V1073 HydrophobicContact CB-CG1 4.44Å; V1020-V1073 CarbonylContact O-C 3.46Å; V1020-V1073 WeakPolarHBondContact O-CA 3.43Å; L1021-V1073 HydrophobicContact CD1-CG2 3.92Å; F1059-V1073 HydrophobicContact CE2-CG1 4.28Å; V1073-F1090 HydrophobicContact CG2-CD1 4.35Å; V1073-F1090 HydrophobicContact CG2-CD2 4.13Å; V1073-F1090 HydrophobicContact CG2-CE1 4.36Å; V1073-F1090 HydrophobicContact CG2-CE2 4.12Å; V1073-F1090 HydrophobicContact CG2-CG 4.24Å; V1073-F1090 HydrophobicContact CG2-CZ 4.25Å
1074	D	91.8	Very high	84.3	Confident	38 Å²	38	57 Å²	57	20%	0.203	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.9	177.4	-66.5	-39.4	0	0	0	110.5	T974 A1019 V1020	T974-D1074 WeakPolarHBondContact CA-OD1 3.5Å; T974-D1074 VanDerWaalsContact CB-OD1 3.25Å; T974-D1074 WeakPolarHBondContact CB-OD1 3.5Å; T974-D1074 PolarHBondContact N-OD1 3Å; T974-D1074 PolarHBondContact OG1-OD1 2.84Å; A1019-D1074 CarbonylContact C-O 3.33Å; A1019-D1074 VanDerWaalsContact CA-O 3.29Å; A1019-D1074 WeakPolarHBondContact CA-O 3.41Å; V1020-D1074 PolarHBondContact N-O 3.44Å; V1020-D1074 PolarHBondContact O-N 3.12Å
1075	L	90.3	Very high	82.6	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	119.9	173.2	-172.4	62.3	0	0	0	108.6	K969 P972 G973 V975 I1017 R1077 G1078 L1080	K969-L1075 HydrophobicContact CB-CD2 4.47Å; K969-L1075 HydrophobicContact CG-CD2 3.72Å; P972-L1075 CarbonylContact C-O 3.53Å; P972-L1075 WeakPolarHBondContact CA-O 3.4Å; P972-L1075 WeakPolarHBondContact CB-O 3.35Å; G973-L1075 PolarHBondContact N-O 2.9Å; G973-L1075 PolarHBondContact O-N 2.85Å; V975-L1075 HydrophobicContact CG2-CB 3.84Å; I1017-L1075 HydrophobicContact CG2-CD1 3.94Å; L1075-R1077 WeakPolarHBondContact CD1-O 3.43Å; L1075-G1078 WeakPolarHBondContact CD2-O 3.4Å; L1075-L1080 HydrophobicContact CD1-CD1 4.23Å; L1075-L1080 HydrophobicContact CD1-CD2 4.38Å; L1075-L1080 HydrophobicContact CD1-CG 4.16Å; L1075-L1080 HydrophobicContact CD2-CD1 4.15Å; L1075-L1080 HydrophobicContact CD2-CG 4.02Å
1076	V	87.8	Confident	81.1	Confident	61 Å²	61	62.2 Å²	62.2	37%	0.37	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-40.6	177.6	-178.6	0	0	0	0	110.1	E1018 V1020	E1018-V1076 HydrophobicContact CB-CB 4.29Å; E1018-V1076 HydrophobicContact CG-CB 4.09Å; E1018-V1076 HydrophobicContact CG-CG1 4.43Å; E1018-V1076 WeakPolarHBondContact O-CA 3.47Å; E1018-V1076 PolarHBondContact O-N 3.06Å; V1020-V1076 HydrophobicContact CB-CG2 4.43Å; V1020-V1076 HydrophobicContact CG2-CG2 3.78Å
1077	R	80.8	Confident	79.9	Confident	168 Å²	168	60.3 Å²	60.3	63%	0.634	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151	154.5	-177.2	-153.3	174	-176.4	167.4	1.2	112.4	I1017 E1018 L1075	I1017-R1077 WeakPolarHBondContact CA-O 3.46Å; E1018-R1077 HydrophobicContact CB-CB 3.69Å; E1018-R1077 PolarHBondContact N-O 3.39Å; E1018-R1077 PolarHBondContact O-N 3.41Å; L1075-R1077 WeakPolarHBondContact CD1-O 3.43Å
1078	G	79.3	Confident	79.7	Confident	14 Å²	14	51 Å²	51	14%	0.144	27%	0.274	C	S	.	.	S	Bend	trans	84.4	178.4	-179.2	0	0	0	0	0	113	E1015 K1016 L1075	E1015-G1078 WeakPolarHBondContact OE1-CA 3.44Å; K1016-G1078 VanDerWaalsContact O-CA 3.26Å; K1016-G1078 WeakPolarHBondContact O-CA 3.37Å; L1075-G1078 WeakPolarHBondContact CD2-O 3.4Å
1079	R	79.8	Confident	79.7	Confident	97 Å²	97	50 Å²	50	37%	0.366	26%	0.258	S	S	.	.			trans	-125.8	138	-178	-63	177.6	-68.9	166.3	1.1	111.4	E970 H1012 E1015 P1081	E970-R1079 HydrophobicContact CB-CG 4.34Å; E970-R1079 IonicContact OE1-NH1 3.22Å; E970-R1079 PolarHBondContact OE1-NH1 3.04Å; H1012-R1079 PolarHBondContact N-O 2.82Å; H1012-R1079 VanDerWaalsContact N-O 3.16Å; E1015-R1079 WeakPolarHBondContact OE1-CB 3.47Å; E1015-R1079 WeakPolarHBondContact OE1-CG 3.31Å; E1015-R1079 IonicContact OE1-CZ 3.26Å; E1015-R1079 PolarHBondContact OE1-N 3.46Å; E1015-R1079 IonicContact OE1-NE 2.97Å; E1015-R1079 PolarHBondContact OE1-NE 2.87Å; E1015-R1079 IonicContact OE1-NH2 3.58Å; E1015-R1079 IonicContact OE2-CZ 3.48Å; E1015-R1079 VanDerWaalsContact OE2-CZ 3.26Å; E1015-R1079 IonicContact OE2-NE 3.94Å; E1015-R1079 PolarHBondContact OE2-NE 3.32Å; E1015-R1079 IonicContact OE2-NH2 2.86Å; E1015-R1079 PolarHBondContact OE2-NH2 2.92Å; R1079-P1081 WeakPolarHBondContact O-CD 3.4Å
1080	L	78.3	Confident	79.7	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-101.2	107.7	-178.9	-58	176	0	0	0	109.6	L965 L968 K969 V975 L1009 I1017 L1075 T1088	L965-L1080 HydrophobicContact CD2-CB 3.68Å; L965-L1080 HydrophobicContact CD2-CD1 4.06Å; L968-L1080 WeakPolarHBondContact CD1-O 3.33Å; K969-L1080 HydrophobicContact CB-CB 4.29Å; K969-L1080 PolarHBondContact N-O 3.24Å; K969-L1080 PolarHBondContact O-N 3Å; V975-L1080 HydrophobicContact CG1-CD1 3.97Å; V975-L1080 HydrophobicContact CG2-CD1 3.88Å; L1009-L1080 HydrophobicContact CB-CD2 4.03Å; L1009-L1080 HydrophobicContact CD2-CD1 4.36Å; I1017-L1080 HydrophobicContact CD1-CD2 4.06Å; I1017-L1080 HydrophobicContact CG1-CD2 4.28Å; I1017-L1080 HydrophobicContact CG2-CD2 4.27Å; L1075-L1080 HydrophobicContact CD1-CD1 4.23Å; L1075-L1080 HydrophobicContact CD1-CD2 4.38Å; L1075-L1080 HydrophobicContact CD1-CG 4.16Å; L1075-L1080 HydrophobicContact CD2-CD1 4.15Å; L1075-L1080 HydrophobicContact CD2-CG 4.02Å; L1080-T1088 HydrophobicContact CD1-CG2 4.41Å
1081	P	69.1	Low	79.7	Confident	32 Å²	32	49.1 Å²	49.1	21%	0.208	25%	0.252	C	S	.	.			trans	-63	143.6	-175.9	24	-34.8	0	0	0	113.2	T1010 R1079	T1010-P1081 WeakPolarHBondContact O-CD 3.37Å; R1079-P1081 WeakPolarHBondContact O-CD 3.4Å
1082	H	67.3	Low	79.6	Confident	102 Å²	102	49.3 Å²	49.3	47%	0.472	25%	0.253	S	S	.	.			trans	-66.4	140.2	160.7	166.3	82.9	0	0	0	110.3	T966 L968	T966-H1082 PolarHBondContact O-ND1 2.9Å; L968-H1082 HydrophobicContact CB-CB 4.42Å
1083	S	58.5	Low	79.7	Confident	34 Å²	34	53 Å²	53	24%	0.238	27%	0.271	C	S	.	.			trans	-143.6	150.5	165.9	168.5	0	0	0	0	109.2	E1085	S1083-E1085 VanDerWaalsContact C-N 3.29Å; S1083-E1085 CarbonylContact C-O 3.53Å; S1083-E1085 WeakPolarHBondContact CB-O 3.29Å; S1083-E1085 PolarHBondContact OG-N 2.87Å; S1083-E1085 PolarHBondContact OG-O 3.28Å
1084	V	53.4	Low	79.6	Confident	123 Å²	123	54.2 Å²	54.2	75%	0.745	28%	0.277	S	S	*	.	S	Bend	trans	-64.9	-38.6	177.8	-177.8	0	0	0	0	110.4
1085	E	58.3	Low	79.5	Confident	147 Å²	147	56.2 Å²	56.2	69%	0.687	29%	0.287	S	S	*	.	S	Bend	trans	-92.2	133.4	166.2	-66.6	-177.4	171.6	0	0	109.8	S1083 L1087	S1083-E1085 VanDerWaalsContact C-N 3.29Å; S1083-E1085 CarbonylContact C-O 3.53Å; S1083-E1085 WeakPolarHBondContact CB-O 3.29Å; S1083-E1085 PolarHBondContact OG-N 2.87Å; S1083-E1085 PolarHBondContact OG-O 3.28Å; E1085-L1087 PolarHBondContact O-N 3.41Å
1086	P	60.3	Low	79.4	Confident	39 Å²	39	61.3 Å²	61.3	25%	0.253	31%	0.307	S	S	.	.			trans	-76.4	84	-169.2	33.8	-38.7	0	0	0	111.7	F981 T1088 V1089	F981-P1086 HydrophobicContact CE1-CG 4.27Å; F981-P1086 HydrophobicContact CE2-CG 4.38Å; F981-P1086 HydrophobicContact CZ-CB 3.91Å; F981-P1086 HydrophobicContact CZ-CG 3.59Å; P1086-T1088 PolarHBondContact O-N 2.87Å; P1086-T1088 VanDerWaalsContact O-N 3.16Å; P1086-V1089 HydrophobicContact CB-CG2 4.45Å; P1086-V1089 VanDerWaalsContact O-CG2 3.24Å; P1086-V1089 WeakPolarHBondContact O-CG2 3.28Å
1087	L	70	Confident	79.3	Confident	92 Å²	92	61.3 Å²	61.3	48%	0.482	30%	0.304	S	S	.	.	S	Bend	trans	-66.7	-10.1	175.3	-61.3	175.8	0	0	0	113.7	T1010 E1085	T1010-L1087 VanDerWaalsContact CB-O 3.32Å; T1010-L1087 WeakPolarHBondContact CB-O 3.35Å; T1010-L1087 HydrophobicContact CG2-CB 4.18Å; T1010-L1087 HydrophobicContact CG2-CD1 4.44Å; T1010-L1087 PolarHBondContact OG1-O 3.33Å; E1085-L1087 PolarHBondContact O-N 3.41Å
1088	T	87.1	Confident	79.2	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.018	29%	0.294	C	S	.	.	S	Bend	trans	-127.6	120.8	-179.6	-72.7	0	0	0	0	108.9	G964 L965 F977 V1008 L1009 T1010 L1080 P1086	G964-T1088 WeakPolarHBondContact CA-O 3.31Å; L965-T1088 HydrophobicContact CB-CG2 3.71Å; L965-T1088 HydrophobicContact CD2-CG2 3.82Å; L965-T1088 HydrophobicContact CG-CG2 4.43Å; L965-T1088 PolarHBondContact N-O 2.58Å; F977-T1088 HydrophobicContact CD1-CG2 4.34Å; F977-T1088 HydrophobicContact CE1-CG2 3.71Å; V1008-T1088 CarbonylContact O-C 3.47Å; V1008-T1088 VanDerWaalsContact O-CA 3.24Å; V1008-T1088 WeakPolarHBondContact O-CA 3.32Å; L1009-T1088 HydrophobicContact CD2-CG2 3.74Å; T1010-T1088 PolarHBondContact N-OG1 3.37Å; T1010-T1088 PolarHBondContact O-OG1 2.92Å; L1080-T1088 HydrophobicContact CD1-CG2 4.41Å; P1086-T1088 PolarHBondContact O-N 2.87Å; P1086-T1088 VanDerWaalsContact O-N 3.16Å
1089	V	91.6	Very high	78.2	Confident	27 Å²	27	67.7 Å²	67.7	16%	0.164	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	141.3	-167.2	-167.6	0	0	0	0	110.5	A963 F981 A1007 V1008 P1086 N1091	A963-V1089 CarbonylContact O-C 3.47Å; A963-V1089 WeakPolarHBondContact O-CA 3.25Å; F981-V1089 HydrophobicContact CE2-CG1 4.32Å; A1007-V1089 CarbonylContact C-O 3.54Å; A1007-V1089 WeakPolarHBondContact CA-O 3.48Å; V1008-V1089 PolarHBondContact N-O 2.96Å; V1008-V1089 PolarHBondContact O-N 3.4Å; P1086-V1089 HydrophobicContact CB-CG2 4.45Å; P1086-V1089 VanDerWaalsContact O-CG2 3.24Å; P1086-V1089 WeakPolarHBondContact O-CG2 3.28Å; V1089-N1091 WeakPolarHBondContact CG1-OD1 3.5Å
1090	F	93.9	Very high	78.1	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.9	171.5	177.3	-146.3	0	0	0	110.3	F961 A963 F977 Y988 F1005 A1007 L1021 V1071 V1073	F961-F1090 AromaticContact CE2-CD1 3.8Å; F961-F1090 HydrophobicContact CE2-CD1 3.8Å; F961-F1090 HydrophobicContact CE2-CD2 4.43Å; F961-F1090 AromaticContact CE2-CE1 3.85Å; F961-F1090 HydrophobicContact CE2-CE1 3.85Å; F961-F1090 HydrophobicContact CE2-CE2 4.49Å; F961-F1090 HydrophobicContact CE2-CG 4.11Å; F961-F1090 HydrophobicContact CE2-CZ 4.21Å; F961-F1090 HydrophobicContact CZ-CD1 4.23Å; F961-F1090 AromaticContact CZ-CE1 3.82Å; F961-F1090 HydrophobicContact CZ-CE1 3.82Å; F961-F1090 HydrophobicContact CZ-CE2 4.18Å; F961-F1090 AromaticContact CZ-CZ 3.8Å; F961-F1090 HydrophobicContact CZ-CZ 3.8Å; A963-F1090 PolarHBondContact N-O 3.28Å; A963-F1090 PolarHBondContact O-N 3.24Å; F977-F1090 HydrophobicContact CD1-CB 3.76Å; F977-F1090 HydrophobicContact CD2-CB 3.7Å; F977-F1090 AromaticContact CD2-CD1 3.92Å; F977-F1090 HydrophobicContact CD2-CD1 3.92Å; F977-F1090 HydrophobicContact CD2-CG 4.28Å; F977-F1090 HydrophobicContact CE1-CB 3.63Å; F977-F1090 HydrophobicContact CE2-CB 3.59Å; F977-F1090 AromaticContact CE2-CD1 3.88Å; F977-F1090 HydrophobicContact CE2-CD1 3.88Å; F977-F1090 HydrophobicContact CE2-CG 4.05Å; F977-F1090 HydrophobicContact CG-CB 3.81Å; F977-F1090 HydrophobicContact CZ-CB 3.56Å; F977-F1090 HydrophobicContact CZ-CG 4.34Å; Y988-F1090 AromaticContact CE2-CD1 3.98Å; Y988-F1090 HydrophobicContact CE2-CD1 3.98Å; Y988-F1090 HydrophobicContact CE2-CE1 4.09Å; F1005-F1090 HydrophobicContact CB-CE2 4.34Å; F1005-F1090 AromaticContact CD1-CE2 3.7Å; F1005-F1090 HydrophobicContact CD1-CE2 3.7Å; F1005-F1090 AromaticContact CD1-CZ 3.82Å; F1005-F1090 HydrophobicContact CD1-CZ 3.82Å; F1005-F1090 HydrophobicContact CE1-CZ 4.25Å; F1005-F1090 HydrophobicContact CG-CE2 4.44Å; A1007-F1090 HydrophobicContact CB-CB 4.38Å; A1007-F1090 HydrophobicContact CB-CD2 3.77Å; A1007-F1090 HydrophobicContact CB-CE2 4.5Å; A1007-F1090 HydrophobicContact CB-CG 4.4Å; L1021-F1090 HydrophobicContact CD1-CE2 4.24Å; L1021-F1090 HydrophobicContact CD1-CZ 4.39Å; V1071-F1090 HydrophobicContact CG1-CZ 4.21Å; V1073-F1090 HydrophobicContact CG2-CD1 4.35Å; V1073-F1090 HydrophobicContact CG2-CD2 4.13Å; V1073-F1090 HydrophobicContact CG2-CE1 4.36Å; V1073-F1090 HydrophobicContact CG2-CE2 4.12Å; V1073-F1090 HydrophobicContact CG2-CG 4.24Å; V1073-F1090 HydrophobicContact CG2-CZ 4.25Å
1091	N	94.6	Very high	78.1	Confident	45 Å²	45	69.7 Å²	69.7	24%	0.241	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147.7	-176.3	-46.9	-69.6	0	0	0	109.9	F961 S962 F1005 S1006 V1089	F961-N1091 CarbonylContact O-C 3.58Å; F961-N1091 VanDerWaalsContact O-CA 3.3Å; F961-N1091 WeakPolarHBondContact O-CA 3.43Å; S962-N1091 VanDerWaalsContact CB-OD1 3.25Å; S962-N1091 WeakPolarHBondContact CB-OD1 3.31Å; S962-N1091 PolarHBondContact OG-OD1 3.24Å; F1005-N1091 WeakPolarHBondContact CA-O 3.23Å; S1006-N1091 PolarHBondContact N-O 3.27Å; S1006-N1091 WeakPolarHBondContact O-CB 3.36Å; S1006-N1091 PolarHBondContact O-N 3.45Å; S1006-N1091 PolarHBondContact O-ND2 2.83Å; V1089-N1091 WeakPolarHBondContact CG1-OD1 3.5Å
1092	G	93.8	Very high	78.6	Confident	3 Å²	3	71.8 Å²	71.8	3%	0.031	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	147.6	167.9	0	0	0	0	0	112.1	S960 F961 Y1004	S960-G1092 CarbonylContact C-O 3.57Å; S960-G1092 WeakPolarHBondContact CA-O 3.11Å; F961-G1092 WeakPolarHBondContact CD1-O 3.43Å; F961-G1092 VanDerWaalsContact CE1-CA 3.41Å; F961-G1092 PolarHBondContact N-O 2.67Å; F961-G1092 PolarHBondContact O-N 2.87Å; Y1004-G1092 CarbonylContact O-C 3.56Å; Y1004-G1092 WeakPolarHBondContact O-CA 3.25Å
1093	M	93.9	Very high	79.3	Confident	85 Å²	85	70.1 Å²	70.1	42%	0.419	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	147.5	176.6	64.2	-179.9	69.9	0	0	111.4	L959 Y1003 Y1004 L1095	L959-M1093 CarbonylContact O-C 3.56Å; L959-M1093 VanDerWaalsContact O-CA 3.26Å; L959-M1093 WeakPolarHBondContact O-CA 3.45Å; Y1003-M1093 CarbonylContact C-O 3.57Å; Y1003-M1093 VanDerWaalsContact CA-O 3.22Å; Y1003-M1093 WeakPolarHBondContact CA-O 3.42Å; Y1004-M1093 HydrophobicContact CD1-CE 4.34Å; Y1004-M1093 HydrophobicContact CD1-CG 4.21Å; Y1004-M1093 HydrophobicContact CD1-SD 4.36Å; Y1004-M1093 PolarHBondContact N-O 3.04Å; Y1004-M1093 PolarHBondContact O-N 3.29Å; M1093-L1095 HydrophobicContact CG-CD2 4.15Å; M1093-L1095 HydrophobicContact SD-CD2 4.09Å
1094	L	92.3	Very high	80.6	Confident	27 Å²	27	72.3 Å²	72.3	14%	0.141	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	126.3	165.5	176.8	66.8	0	0	0	109.2	P957 L959 V999 Y1003 Y1096 E1097	P957-L1094 HydrophobicContact CG-CD2 4.3Å; L959-L1094 HydrophobicContact CB-CB 3.84Å; L959-L1094 HydrophobicContact CD1-CB 4.26Å; L959-L1094 HydrophobicContact CD1-CD2 3.91Å; L959-L1094 HydrophobicContact CG-CB 4.33Å; L959-L1094 HydrophobicContact CG-CD2 4.14Å; L959-L1094 PolarHBondContact O-N 3.44Å; V999-L1094 HydrophobicContact CG2-CD2 4.07Å; Y1003-L1094 HydrophobicContact CD1-CB 4.01Å; Y1003-L1094 HydrophobicContact CD1-CD1 4.29Å; Y1003-L1094 HydrophobicContact CD2-CD1 4.28Å; Y1003-L1094 HydrophobicContact CE1-CB 3.77Å; Y1003-L1094 HydrophobicContact CE1-CD1 3.94Å; Y1003-L1094 HydrophobicContact CE1-CG 4.4Å; Y1003-L1094 HydrophobicContact CE2-CD1 3.95Å; Y1003-L1094 HydrophobicContact CG-CD1 4.46Å; L1094-Y1096 WeakPolarHBondContact CD1-O 3.44Å; L1094-E1097 HydrophobicContact CD1-CG 4.48Å; L1094-E1097 HydrophobicContact CD2-CG 3.72Å
1095	L	90.1	Very high	82.4	Confident	79 Å²	79	68.9 Å²	68.9	41%	0.414	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-44.2	173.1	-60	-179.6	0	0	0	111.5	H1002 V1062 M1093	H1002-L1095 WeakPolarHBondContact O-CB 3.42Å; H1002-L1095 PolarHBondContact O-N 2.95Å; V1062-L1095 HydrophobicContact CG1-CD1 4.01Å; V1062-L1095 HydrophobicContact CG2-CD1 3.88Å; M1093-L1095 HydrophobicContact CG-CD2 4.15Å; M1093-L1095 HydrophobicContact SD-CD2 4.09Å
1096	Y	86.6	Confident	84.1	Confident	109 Å²	109	63.4 Å²	63.4	43%	0.427	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	145.3	176.3	48.6	-87.9	0	0	0	110.2	G1001 H1002 L1094	G1001-Y1096 WeakPolarHBondContact CA-O 3.43Å; H1002-Y1096 HydrophobicContact CB-CD1 4.47Å; H1002-Y1096 HydrophobicContact CB-CD2 4.14Å; H1002-Y1096 HydrophobicContact CB-CE1 4.02Å; H1002-Y1096 HydrophobicContact CB-CE2 3.68Å; H1002-Y1096 AromaticContact CD2-CE2 3.37Å; H1002-Y1096 WeakPolarHBondContact CD2-CE2 3.17Å; H1002-Y1096 AromaticContact CD2-CZ 3.96Å; H1002-Y1096 AromaticContact CG-CE2 3.51Å; H1002-Y1096 AromaticContact CG-CZ 3.62Å; H1002-Y1096 PolarHBondContact N-O 3.24Å; L1094-Y1096 WeakPolarHBondContact CD1-O 3.44Å
1097	E	86.1	Confident	86	Confident	62 Å²	62	65.2 Å²	65.2	29%	0.29	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	154.4	170	-57.1	179.9	120.2	0	0	110	P957 V999 D1000 L1094	P957-E1097 WeakPolarHBondContact CD-OE1 3.27Å; P957-E1097 WeakPolarHBondContact CG-OE1 3.41Å; V999-E1097 HydrophobicContact CG2-CG 4.13Å; D1000-E1097 WeakPolarHBondContact O-CA 3.33Å; L1094-E1097 HydrophobicContact CD1-CG 4.48Å; L1094-E1097 HydrophobicContact CD2-CG 3.72Å
1098	N	79.5	Confident	87.3	Confident	83 Å²	83	63 Å²	63	44%	0.444	32%	0.317	S	S	.	.			trans	-89.6	112.4	165.8	-70.2	-24.9	0	0	0	107.9	D1000 H1002	D1000-N1098 PolarHBondContact O-N 2.99Å; H1002-N1098 PolarHBondContact CD2-OD1 3.01Å; H1002-N1098 VanDerWaalsContact CD2-OD1 3.29Å
1099	L	58.2	Low	87.3	Confident	233 Å²	233	68.5 Å²	68.5	100%	1.22	35%	0.345	S	S	*	.			trans	-78.3	0	179.4	-65.6	170.8	0	0	0	112.2

Retrieved 1,099 of 1,099 residues in 238.6 ms (Link to these results)

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