A0A096N8L7_PAPAN Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A096N8L7, Species PAPAN (Papio anubis, Olive baboon), Gene LATS2, Length 1,086 aa.

						>A0A096N8L7_PAPAN|A0A096N8L7|LATS2
MRPKTFPATTYSGNSRQRLQEIREGLKQPSKSSAQGLPVGPNSDTSLDAKVLGSKDAARQQQQMRATPKFGPYQKALREIRYSLLPFANESGTSAAAEVNRQMLQELVNAGCDQEMAGRALKQTGSRSIEAALEYISKMGYLDPRNEQIVRVIKQTSPGKGLMPAPVTRRPSFEGTSDSFASYHQLSGAPYEGPSFGADGPAALEEVPRPYVDYLFPGVGPHGPGHQHQHQHPPKGYGAGVEAAGAHFPLQGTHYGRPHLLVHGEPLGYGVQRSPSFQGKTPPETGGYASLPTKGQGGPPGAGLAFPPPTAGLYVPHPHHKQAGPTAHQLHVLGSRSQVFAGDSPPQSLLTPSRNSLNVDLYDLGSTSVQQWPAATLARRDSLQKPGLEAPPRAHVAFRPDCPVPSRTNSFNSHQPRPGAPGKAEPSLPAPNTVTAVTAAHILHPVKSVRVLRPEPQTAVGPSHPAWVPAPAPAPAPATEGLDAKEEHALALGGAGAYPLDVEYGGPDRRCPPPPYPKHLLLRSKSEQYDLDSLCAGVEQSLRAGPSEPEGGEKSRKSAKGDKGGKDKKQIQTSPVPVRKNSRDEEKRESRIKSYSPYAFKFFMEQHVENVIKTYQQKVNRRLQLEQEMAKAGLCEAEQEQMRKILYQKESNYNRLKRAKMDKSMFVKIKTLGIGAFGEVCLACKVDTHALYAMKTLRKKDVLNRNQVAHVKAERDILAEADNEWVVKLYYSFQDKDSLYFVMDYIPGGDMMSLLIRMEVFPEHLARFYIAELTLAIESVHKMGFIHRDIKPDNILIDLDGHIKLTDFGLCTGFRWTHNSKYYQKGSHVRQDSMEPSDLWDDVSNCRCGDRLKTLEQRARKQHQRCLAHSLVGTPNYIAPEVLLRKGYTQLCDWWSVGVILFEMLVGQPPFLAPTPTETQLKVINWENTLHIPAQVKLSPESRDLITKLCCSADHRLGRNGADDLKAHPFFSAIDFSSDIRKQPAPYVPTISHPMDTSNFDPVDEESPWNDASEGSAKAWDTLTSPSNKHPEHAFYEFTFRRFFDDNGYPFRCPKPSGAEASQSENSDLETSDLVDQTEGCQPVYV
					

Structure Viewer

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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	29	Very low	30.7	Very low	240 Å²	240	166.5 Å²	166.5	100%	1.182	86%	0.861	S	S	*	*				0	117.3	0	-69.7	-66.7	-89.3	0	0	109.2
2	R	26.8	Very low	31.1	Very low	241 Å²	241	161 Å²	161	91%	0.909	85%	0.848	S	S	*	*			trans	-105.1	129	168.3	-88	-174.5	175.7	169	-0.5	108.9
3	P	32.4	Very low	31.6	Very low	123 Å²	123	152.6 Å²	152.6	80%	0.799	82%	0.824	S	S	*	*			trans	-65.3	131.6	165.4	-18.8	32.5	0	0	0	110.6
4	K	34.8	Very low	32.6	Very low	206 Å²	206	151.1 Å²	151.1	90%	0.896	82%	0.815	S	S	*	*			trans	-105.7	85.1	170.9	-79.5	-171.7	175.3	-175.9	0	109.8
5	T	31.7	Very low	33	Very low	115 Å²	115	146.1 Å²	146.1	71%	0.706	80%	0.796	S	S	*	*			trans	-149.1	98.3	169.8	46.6	0	0	0	0	111.1
6	F	26.4	Very low	33.5	Very low	211 Å²	211	149.6 Å²	149.6	93%	0.925	80%	0.795	S	S	*	*			trans	-144.2	99.7	162.7	-87	-72.8	0	0	0	108.3
7	P	30.6	Very low	34.1	Very low	112 Å²	112	147.6 Å²	147.6	73%	0.727	78%	0.78	S	S	*	*			trans	-72	144	155	31.9	-31	0	0	0	108.8
8	A	32.3	Very low	34.4	Very low	107 Å²	107	149.4 Å²	149.4	88%	0.884	77%	0.774	S	S	*	*			trans	-89.5	118.2	177	0	0	0	0	0	110.4
9	T	27.9	Very low	34.8	Very low	118 Å²	118	147.7 Å²	147.7	72%	0.724	77%	0.766	S	S	*	*			trans	-129.3	136.7	169.6	52.7	0	0	0	0	109.6	Y11	T9-Y11 PolarHBondContact O-N 3.47Å
10	T	35.7	Very low	35.2	Very low	143 Å²	143	146.4 Å²	146.4	88%	0.877	76%	0.755	S	S	*	*			trans	-72.7	122.7	-171	36.9	0	0	0	0	112.9
11	Y	29.6	Very low	35.6	Very low	215 Å²	215	144.4 Å²	144.4	84%	0.843	74%	0.743	S	S	*	*			trans	-132.5	157.1	165.8	-96.8	-85.3	0	0	0	111	T9	T9-Y11 PolarHBondContact O-N 3.47Å
12	S	36.6	Very low	36.4	Very low	101 Å²	101	137.5 Å²	137.5	71%	0.706	71%	0.71	S	S	*	*			trans	-85.8	137.3	-151.8	44.7	0	0	0	0	116.6	N14	S12-N14 PolarHBondContact O-N 3.32Å
13	G	36.9	Very low	37.3	Very low	52 Å²	52	134.4 Å²	134.4	54%	0.536	70%	0.698	S	S	.	*	T	Hydrogen-bonded Turn	trans	51.1	-97.6	154.5	0	0	0	0	0	117.6	S15 R16	G13-S15 PolarHBondContact O-N 3.28Å; G13-R16 PolarHBondContact O-N 3.4Å
14	N	45.2	Very low	37.9	Very low	131 Å²	131	132.4 Å²	132.4	70%	0.701	68%	0.678	S	S	*	*	H	α-helix	trans	-72.8	-21	-150.2	-62.5	-1.7	0	0	0	115	S12 R18	S12-N14 PolarHBondContact O-N 3.32Å; N14-R18 PolarHBondContact O-N 3.46Å
15	S	39.5	Very low	38.4	Very low	76 Å²	76	125.1 Å²	125.1	53%	0.531	66%	0.662	S	S	.	*	H	α-helix	trans	-68.3	-37.7	176.4	59.1	0	0	0	0	111.9	G13 L19	G13-S15 PolarHBondContact O-N 3.28Å; S15-L19 WeakPolarHBondContact O-CG 3.37Å; S15-L19 PolarHBondContact O-N 3.33Å; S15-L19 VanDerWaalsContact O-N 3.11Å
16	R	40.3	Very low	38.8	Very low	203 Å²	203	125 Å²	125	77%	0.766	66%	0.656	S	S	*	*	H	α-helix	trans	-69.4	-43.1	-179.2	-142.2	175.9	-169.8	-179.3	1.9	110.9	G13 L19 Q20	G13-R16 PolarHBondContact O-N 3.4Å; R16-L19 PolarHBondContact O-N 3.3Å; R16-Q20 WeakPolarHBondContact O-CB 3.33Å; R16-Q20 PolarHBondContact O-N 2.7Å
17	Q	43.3	Very low	39.4	Very low	116 Å²	116	120.8 Å²	120.8	54%	0.542	64%	0.637	S	S	.	*	H	α-helix	trans	-61	-49.7	175.1	-178.9	175	-12.4	0	0	111.8	L19 Q20 E21	Q17-L19 VanDerWaalsContact C-N 3.32Å; Q17-L19 PolarHBondContact O-N 3.44Å; Q17-Q20 CarbonylContact O-C 3.57Å; Q17-Q20 WeakPolarHBondContact O-CA 3.49Å; Q17-Q20 WeakPolarHBondContact O-CB 3.35Å; Q17-Q20 PolarHBondContact O-N 2.75Å; Q17-E21 HydrophobicContact CG-CG 4.39Å; Q17-E21 VanDerWaalsContact CG-OE1 3.29Å; Q17-E21 WeakPolarHBondContact CG-OE1 3.46Å; Q17-E21 PolarHBondContact NE2-OE1 3.11Å; Q17-E21 WeakPolarHBondContact O-CG 3.36Å; Q17-E21 PolarHBondContact O-N 3.37Å
18	R	39.8	Very low	39.7	Very low	179 Å²	179	122.9 Å²	122.9	68%	0.675	64%	0.638	S	S	*	*	H	α-helix	trans	-61.1	-38.2	178.9	-170.5	-177.1	-69.5	178	-2.7	112.7	N14 Q20 I22	N14-R18 PolarHBondContact O-N 3.46Å; R18-Q20 VanDerWaalsContact C-N 3.31Å; R18-I22 HydrophobicContact CG-CD1 4.31Å; R18-I22 WeakPolarHBondContact O-CD1 3.42Å; R18-I22 VanDerWaalsContact O-CG1 3.27Å; R18-I22 WeakPolarHBondContact O-CG1 3.48Å; R18-I22 PolarHBondContact O-N 3.38Å
19	L	42.6	Very low	39.8	Very low	118 Å²	118	123.3 Å²	123.3	62%	0.618	63%	0.631	S	S	*	*	H	α-helix	trans	-67.8	-31.2	173.6	-74.5	170.2	0	0	0	112.6	S15 R16 Q17 R23	S15-L19 WeakPolarHBondContact O-CG 3.37Å; S15-L19 PolarHBondContact O-N 3.33Å; S15-L19 VanDerWaalsContact O-N 3.11Å; R16-L19 PolarHBondContact O-N 3.3Å; Q17-L19 VanDerWaalsContact C-N 3.32Å; Q17-L19 PolarHBondContact O-N 3.44Å; L19-R23 WeakPolarHBondContact O-CB 3.26Å; L19-R23 PolarHBondContact O-N 3.18Å; L19-R23 VanDerWaalsContact O-N 3.08Å
20	Q	43	Very low	40	Very low	120 Å²	120	123.4 Å²	123.4	56%	0.561	64%	0.637	S	S	*	*	H	α-helix	trans	-74.9	-40.5	176.1	-166.5	156.4	-26.3	0	0	111.5	R16 Q17 R18 I22 R23 E24	R16-Q20 WeakPolarHBondContact O-CB 3.33Å; R16-Q20 PolarHBondContact O-N 2.7Å; Q17-Q20 CarbonylContact O-C 3.57Å; Q17-Q20 WeakPolarHBondContact O-CA 3.49Å; Q17-Q20 WeakPolarHBondContact O-CB 3.35Å; Q17-Q20 PolarHBondContact O-N 2.75Å; R18-Q20 VanDerWaalsContact C-N 3.31Å; Q20-I22 PolarHBondContact O-N 3.33Å; Q20-R23 CarbonylContact O-C 3.5Å; Q20-R23 WeakPolarHBondContact O-CA 3.43Å; Q20-R23 WeakPolarHBondContact O-CB 3.4Å; Q20-R23 PolarHBondContact O-N 3.44Å; Q20-R23 VanDerWaalsContact O-N 3.08Å; Q20-E24 WeakPolarHBondContact O-CG 3.41Å; Q20-E24 PolarHBondContact O-N 3.3Å
21	E	44.1	Very low	39.7	Very low	106 Å²	106	126.5 Å²	126.5	50%	0.495	64%	0.638	S	S	.	*	H	α-helix	trans	-60.4	-42.8	171.6	-71.2	163.3	178	0	0	112	Q17 R23 E24 G25	Q17-E21 HydrophobicContact CG-CG 4.39Å; Q17-E21 VanDerWaalsContact CG-OE1 3.29Å; Q17-E21 WeakPolarHBondContact CG-OE1 3.46Å; Q17-E21 PolarHBondContact NE2-OE1 3.11Å; Q17-E21 WeakPolarHBondContact O-CG 3.36Å; Q17-E21 PolarHBondContact O-N 3.37Å; E21-R23 VanDerWaalsContact C-N 3.29Å; E21-R23 PolarHBondContact O-N 3.16Å; E21-E24 PolarHBondContact O-N 3.03Å; E21-G25 PolarHBondContact O-N 3.42Å
22	I	45.5	Very low	39.7	Very low	95 Å²	95	122 Å²	122	49%	0.487	64%	0.638	S	S	.	*	H	α-helix	trans	-62.2	-38.1	172.3	-69.2	164.7	0	0	0	111	R18 Q20 L26	R18-I22 HydrophobicContact CG-CD1 4.31Å; R18-I22 WeakPolarHBondContact O-CD1 3.42Å; R18-I22 VanDerWaalsContact O-CG1 3.27Å; R18-I22 WeakPolarHBondContact O-CG1 3.48Å; R18-I22 PolarHBondContact O-N 3.38Å; Q20-I22 PolarHBondContact O-N 3.33Å; I22-L26 HydrophobicContact CG2-CD1 4.21Å; I22-L26 VanDerWaalsContact O-CG 3.31Å; I22-L26 WeakPolarHBondContact O-CG 3.48Å; I22-L26 PolarHBondContact O-N 3.46Å; I22-L26 VanDerWaalsContact O-N 3.16Å
23	R	44.1	Very low	39.3	Very low	176 Å²	176	122.9 Å²	122.9	66%	0.664	64%	0.644	S	S	*	*	H	α-helix	trans	-71	-34.4	178	-168.3	178	-173.7	-173.4	0.8	113	L19 Q20 E21 K27	L19-R23 WeakPolarHBondContact O-CB 3.26Å; L19-R23 PolarHBondContact O-N 3.18Å; L19-R23 VanDerWaalsContact O-N 3.08Å; Q20-R23 CarbonylContact O-C 3.5Å; Q20-R23 WeakPolarHBondContact O-CA 3.43Å; Q20-R23 WeakPolarHBondContact O-CB 3.4Å; Q20-R23 PolarHBondContact O-N 3.44Å; Q20-R23 VanDerWaalsContact O-N 3.08Å; E21-R23 VanDerWaalsContact C-N 3.29Å; E21-R23 PolarHBondContact O-N 3.16Å; R23-K27 WeakPolarHBondContact O-CG 3.46Å; R23-K27 PolarHBondContact O-N 3.33Å
24	E	46.6	Very low	38.8	Very low	80 Å²	80	124.5 Å²	124.5	37%	0.374	65%	0.652	S	S	.	*	H	α-helix	trans	-73.8	-41.2	173.4	-67.2	-52.4	124.2	0	0	111.8	Q20 E21 L26 K27	Q20-E24 WeakPolarHBondContact O-CG 3.41Å; Q20-E24 PolarHBondContact O-N 3.3Å; E21-E24 PolarHBondContact O-N 3.03Å; E24-L26 PolarHBondContact O-N 3.2Å; E24-K27 WeakPolarHBondContact O-CB 3.42Å; E24-K27 PolarHBondContact O-N 2.86Å; E24-K27 WeakPolarHBondContact OE1-CD 3.49Å; E24-K27 WeakPolarHBondContact OE1-CE 3.09Å; E24-K27 IonicContact OE1-NZ 3.1Å; E24-K27 PolarHBondContact OE1-NZ 2.9Å; E24-K27 IonicContact OE2-NZ 3.55Å
25	G	45.1	Very low	38.1	Very low	54 Å²	54	125.1 Å²	125.1	56%	0.557	65%	0.651	S	S	*	*	H	α-helix	trans	-62.9	-24.8	174.6	0	0	0	0	0	114	E21	E21-G25 PolarHBondContact O-N 3.42Å
26	L	40.4	Very low	37.4	Very low	111 Å²	111	123.7 Å²	123.7	58%	0.581	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-13.4	171.6	-72.3	170.8	0	0	0	113.9	I22 E24	I22-L26 HydrophobicContact CG2-CD1 4.21Å; I22-L26 VanDerWaalsContact O-CG 3.31Å; I22-L26 WeakPolarHBondContact O-CG 3.48Å; I22-L26 PolarHBondContact O-N 3.46Å; I22-L26 VanDerWaalsContact O-N 3.16Å; E24-L26 PolarHBondContact O-N 3.2Å
27	K	38.8	Very low	36.8	Very low	123 Å²	123	118.7 Å²	118.7	54%	0.535	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.4	-23.5	-173.2	-94.9	172.1	165.2	-171.8	0	115.5	R23 E24 P29	R23-K27 WeakPolarHBondContact O-CG 3.46Å; R23-K27 PolarHBondContact O-N 3.33Å; E24-K27 WeakPolarHBondContact O-CB 3.42Å; E24-K27 PolarHBondContact O-N 2.86Å; E24-K27 WeakPolarHBondContact OE1-CD 3.49Å; E24-K27 WeakPolarHBondContact OE1-CE 3.09Å; E24-K27 IonicContact OE1-NZ 3.1Å; E24-K27 PolarHBondContact OE1-NZ 2.9Å; E24-K27 IonicContact OE2-NZ 3.55Å; K27-P29 WeakPolarHBondContact O-CD 3.39Å
28	Q	36.4	Very low	36.3	Very low	157 Å²	157	116.2 Å²	116.2	73%	0.734	63%	0.63	S	S	*	*			trans	-86.1	114.9	-173.4	-65.8	-163.1	7.9	0	0	112.3
29	P	34.9	Very low	35.7	Very low	116 Å²	116	114.2 Å²	114.2	75%	0.753	64%	0.637	S	S	*	*			trans	-78.8	136	162.9	33.5	-33.2	0	0	0	109.9	K27 K31	K27-P29 WeakPolarHBondContact O-CD 3.39Å; P29-K31 PolarHBondContact O-N 2.87Å
30	S	31.9	Very low	34.9	Very low	119 Å²	119	111.5 Å²	111.5	83%	0.832	64%	0.638	S	S	*	*			trans	-72.2	113.6	171.5	49.1	0	0	0	0	110.1	S32	S30-S32 PolarHBondContact O-N 3.46Å
31	K	29.2	Very low	35.1	Very low	209 Å²	209	111.1 Å²	111.1	91%	0.909	65%	0.646	S	S	*	*			trans	-63.7	130.8	163.6	-72.1	-175	176.7	-177.3	0	109	P29	P29-K31 PolarHBondContact O-N 2.87Å
32	S	29.3	Very low	34.2	Very low	121 Å²	121	113.1 Å²	113.1	85%	0.846	66%	0.66	S	S	*	*			trans	-90.3	134.1	172.2	51.8	0	0	0	0	111.1	S30	S30-S32 PolarHBondContact O-N 3.46Å
33	S	28.4	Very low	33.4	Very low	119 Å²	119	113.8 Å²	113.8	83%	0.832	67%	0.673	S	S	*	*			trans	-133	144.8	161.3	56	0	0	0	0	109.3
34	A	27.3	Very low	32.6	Very low	85 Å²	85	112.8 Å²	112.8	70%	0.702	68%	0.681	S	S	*	*			trans	-75.5	-178.6	169.9	0	0	0	0	0	110.1
35	Q	29.4	Very low	31.7	Very low	145 Å²	145	116 Å²	116	68%	0.678	71%	0.706	S	S	*	*			cis	-110.7	-169.1	-5.5	-52.7	109.3	-44.4	0	0	109.6
36	G	25.5	Very low	30.8	Very low	45 Å²	45	118 Å²	118	46%	0.464	71%	0.712	S	S	.	*			cis	158.2	165.2	17.5	0	0	0	0	0	108.5
37	L	26.9	Very low	30.2	Very low	98 Å²	98	119.9 Å²	119.9	51%	0.513	72%	0.721	S	S	.	*			trans	-70.9	172	164.4	-81.7	-175.2	0	0	0	110.2	F180 A181	L37-F180 HydrophobicContact CB-CD1 4.05Å; L37-F180 HydrophobicContact CB-CE1 4.36Å; L37-F180 HydrophobicContact CD1-CD1 3.88Å; L37-F180 HydrophobicContact CD1-CE1 3.44Å; L37-F180 VanDerWaalsContact CD1-CE1 3.44Å; L37-F180 HydrophobicContact CD1-CZ 3.84Å; L37-F180 HydrophobicContact CG-CD1 4Å; L37-F180 HydrophobicContact CG-CE1 3.78Å; L37-A181 HydrophobicContact CB-CB 4.46Å; L37-A181 WeakPolarHBondContact O-CB 3.19Å
38	P	33.9	Very low	29.6	Very low	65 Å²	65	120.3 Å²	120.3	42%	0.422	73%	0.73	S	S	.	*			cis	-145.5	-172.8	25.3	43.5	-22.5	0	0	0	118.2	Y183	P38-Y183 VanDerWaalsContact CD-CE2 3.47Å
39	V	26	Very low	29.3	Very low	136 Å²	136	116.6 Å²	116.6	82%	0.824	73%	0.725	S	S	*	*			trans	61.6	131.2	144	160.4	0	0	0	0	120.8
40	G	25.8	Very low	29	Very low	61 Å²	61	120.4 Å²	120.4	63%	0.629	73%	0.73	S	S	*	*			trans	-119.5	-177.4	148.3	0	0	0	0	0	109.1
41	P	48.1	Very low	28.9	Very low	112 Å²	112	120.5 Å²	120.5	73%	0.727	73%	0.726	S	S	*	*			cis	-138.7	-150.8	33.1	38.2	-16.1	0	0	0	113.2
42	N	25.9	Very low	28.8	Very low	149 Å²	149	118.6 Å²	118.6	80%	0.797	72%	0.724	S	S	*	*			trans	75.5	147.8	169.7	-55.9	-14.6	0	0	0	115.6
43	S	27.8	Very low	28.7	Very low	109 Å²	109	115.6 Å²	115.6	76%	0.762	71%	0.712	S	S	*	*			cis	-157.1	168.3	-12.4	40.6	0	0	0	0	110.2
44	D	26.6	Very low	28.6	Very low	155 Å²	155	116 Å²	116	83%	0.829	72%	0.716	S	S	*	*			trans	-64.6	152.6	-173.3	-54.2	-95	0	0	0	115.9
45	T	28.5	Very low	28.8	Very low	147 Å²	147	120.6 Å²	120.6	90%	0.902	72%	0.72	S	S	*	*			trans	-159.2	156.1	142.4	-1.7	0	0	0	0	109.5
46	S	25.8	Very low	28.8	Very low	96 Å²	96	120.4 Å²	120.4	67%	0.671	72%	0.723	S	S	*	*			trans	-150.4	156.4	-162.7	61.5	0	0	0	0	113.3
47	L	28.3	Very low	28.9	Very low	150 Å²	150	123.4 Å²	123.4	79%	0.785	74%	0.743	S	S	*	*			trans	68.6	159.4	169.5	-51.5	177.1	0	0	0	113.7
48	D	26.3	Very low	28.9	Very low	133 Å²	133	123.3 Å²	123.3	71%	0.711	76%	0.757	S	S	*	*			cis	-147.3	139.2	-12.8	-109.9	-25	0	0	0	106.8
49	A	30.8	Very low	28.7	Very low	78 Å²	78	131.7 Å²	131.7	65%	0.645	78%	0.78	S	S	*	*				61.4	93.5	80.3	0	0	0	0	0	116.5
50	K	27.3	Very low	28.8	Very low	197 Å²	197	134 Å²	134	86%	0.857	78%	0.782	S	S	*	*			trans	-163.4	137.3	149.7	-107.5	153	-174	173.6	0	109.6
51	V	29.1	Very low	28.9	Very low	121 Å²	121	140.5 Å²	140.5	73%	0.733	80%	0.796	S	S	*	*			cis	72.8	117.5	30.2	-175.8	0	0	0	0	110.1
52	L	28.9	Very low	28	Very low	168 Å²	168	144.4 Å²	144.4	88%	0.88	81%	0.805	S	S	*	*			cis	-143.1	176.9	9.3	-104.7	151.6	0	0	0	108.1
53	G	26.1	Very low	28.2	Very low	58 Å²	58	146.3 Å²	146.3	60%	0.598	81%	0.809	S	S	*	*			cis	162.6	-152.1	4.2	0	0	0	0	0	112.9
54	S	26.8	Very low	28.2	Very low	129 Å²	129	150.3 Å²	150.3	90%	0.902	82%	0.818	S	S	*	*			trans	78.6	129.1	171.9	-66.3	0	0	0	0	120.6
55	K	30.9	Very low	28.2	Very low	181 Å²	181	154.1 Å²	154.1	79%	0.787	82%	0.82	S	S	*	*			trans	-63.8	167.1	161.4	-78.3	176.1	162	-161.5	0	112.7
56	D	29.6	Very low	28.2	Very low	141 Å²	141	151.9 Å²	151.9	75%	0.754	82%	0.817	S	S	*	*			cis	-147.8	144.7	-6.8	-102.9	-37.7	0	0	0	106.7
57	A	27.7	Very low	28.6	Very low	107 Å²	107	153.4 Å²	153.4	88%	0.884	82%	0.822	S	S	*	*			trans	-144.4	147.7	176.9	0	0	0	0	0	112.6
58	A	27.3	Very low	28.9	Very low	97 Å²	97	151.1 Å²	151.1	80%	0.802	82%	0.816	S	S	*	*			trans	-81.7	143.4	-160	0	0	0	0	0	116
59	R	29.2	Very low	29.4	Very low	241 Å²	241	154.7 Å²	154.7	91%	0.909	83%	0.826	S	S	*	*			trans	55.1	136.8	147.7	-98.5	-179.3	171.3	174.8	-2.9	121.1
60	Q	28.2	Very low	29.6	Very low	183 Å²	183	158.6 Å²	158.6	86%	0.855	83%	0.828	S	S	*	*			trans	84.8	61	144.7	-155.2	172.2	11.5	0	0	119.6
61	Q	26.9	Very low	30.3	Very low	198 Å²	198	151.8 Å²	151.8	93%	0.925	81%	0.814	S	S	*	*			trans	-145	110.4	148.5	-99.9	-168.5	13.3	0	0	112.2
62	Q	29.3	Very low	30.9	Very low	195 Å²	195	151.2 Å²	151.2	91%	0.911	81%	0.812	S	S	*	*			trans	-161	84.4	152.4	-149.5	175.6	39.5	0	0	114
63	Q	31.9	Very low	31.5	Very low	189 Å²	189	150.9 Å²	150.9	88%	0.883	80%	0.801	S	S	*	*			trans	-158.6	86.7	151.6	-124.9	-176.1	55.9	0	0	112.7
64	M	26.9	Very low	32.5	Very low	192 Å²	192	154.2 Å²	154.2	95%	0.946	80%	0.801	S	S	*	*			trans	-156.2	157.9	143.2	-100.4	-49.2	156.8	0	0	110.4
65	R	27.4	Very low	33.4	Very low	235 Å²	235	154.5 Å²	154.5	89%	0.887	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-91.6	135.2	-171.9	-80.6	174	161.6	148.5	-6	113.1
66	A	27.8	Very low	34	Very low	100 Å²	100	147.9 Å²	147.9	83%	0.826	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-79.6	147.5	152.2	0	0	0	0	0	110.5
67	T	33	Very low	34.8	Very low	129 Å²	129	145.1 Å²	145.1	79%	0.791	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-100.8	138	-175.9	42.2	0	0	0	0	112.8
68	P	36.2	Very low	35.9	Very low	101 Å²	101	147.1 Å²	147.1	66%	0.656	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-79	144.4	178.6	31.8	-34.6	0	0	0	112.5	F70	P68-F70 HydrophobicContact CG-CE2 4.37Å
69	K	35.3	Very low	36.9	Very low	209 Å²	209	147.4 Å²	147.4	91%	0.909	72%	0.719	S	S	*	*			trans	-82.3	115.5	-176.3	-64.4	177.7	-179.9	176.2	0	112	G71	K69-G71 VanDerWaalsContact C-N 3.34Å; K69-G71 PolarHBondContact O-N 3.27Å
70	F	35.4	Very low	38	Very low	160 Å²	160	140.3 Å²	140.3	70%	0.702	70%	0.698	S	S	*	*			trans	-82.3	63.2	-179.1	-83.9	-95.7	0	0	0	114	P68	P68-F70 HydrophobicContact CG-CE2 4.37Å
71	G	42.7	Very low	38.8	Very low	53 Å²	53	138.4 Å²	138.4	55%	0.546	68%	0.683	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.3	-59.6	179.3	0	0	0	0	0	116.3	K69 Y73	K69-G71 VanDerWaalsContact C-N 3.34Å; K69-G71 PolarHBondContact O-N 3.27Å; G71-Y73 PolarHBondContact O-N 2.86Å
72	P	42.4	Very low	39.8	Very low	109 Å²	109	136.7 Å²	136.7	71%	0.708	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-29.1	-162.6	24.5	-33.9	0	0	0	114.5	Q74 K75	P72-Q74 VanDerWaalsContact C-N 3.28Å; P72-Q74 PolarHBondContact O-N 2.97Å; P72-K75 PolarHBondContact O-N 2.64Å
73	Y	41.1	Very low	40.4	Very low	162 Å²	162	130.9 Å²	130.9	64%	0.635	65%	0.65	S	S	*	*	H	α-helix	trans	-65.3	-29.2	-175.8	-115.8	-92.2	0	0	0	113.4	G71 K75 A76 L77	G71-Y73 PolarHBondContact O-N 2.86Å; Y73-K75 VanDerWaalsContact C-N 3.29Å; Y73-K75 PolarHBondContact O-N 3.13Å; Y73-A76 PolarHBondContact O-N 2.93Å; Y73-L77 HydrophobicContact CD1-CD1 4.25Å; Y73-L77 HydrophobicContact CD1-CG 4.37Å; Y73-L77 WeakPolarHBondContact O-CB 3.3Å; Y73-L77 VanDerWaalsContact O-CG 3.31Å; Y73-L77 WeakPolarHBondContact O-CG 3.28Å; Y73-L77 PolarHBondContact O-N 2.89Å
74	Q	46.4	Very low	40.9	Very low	128 Å²	128	126.3 Å²	126.3	60%	0.598	63%	0.632	S	S	*	*	H	α-helix	trans	-66.2	-29.3	178.7	-73.1	-166.2	-6.7	0	0	113	P72 R78	P72-Q74 VanDerWaalsContact C-N 3.28Å; P72-Q74 PolarHBondContact O-N 2.97Å; Q74-R78 VanDerWaalsContact O-CB 3.28Å; Q74-R78 WeakPolarHBondContact O-CB 3.41Å; Q74-R78 PolarHBondContact O-N 3.46Å; Q74-R78 VanDerWaalsContact O-N 3.08Å
75	K	45.8	Very low	41.5	Very low	134 Å²	134	122.1 Å²	122.1	58%	0.583	61%	0.612	S	S	*	*	H	α-helix	trans	-70.5	-49.3	177.2	-165.5	-170.1	-177.6	-126.6	0	110.8	P72 Y73 L77 R78 E79	P72-K75 PolarHBondContact O-N 2.64Å; Y73-K75 VanDerWaalsContact C-N 3.29Å; Y73-K75 PolarHBondContact O-N 3.13Å; K75-L77 PolarHBondContact O-N 2.87Å; K75-R78 WeakPolarHBondContact O-CA 3.48Å; K75-R78 WeakPolarHBondContact O-CB 3.32Å; K75-R78 PolarHBondContact O-N 2.94Å; K75-E79 WeakPolarHBondContact CE-OE1 3.34Å; K75-E79 IonicContact NZ-OE1 2.81Å; K75-E79 PolarHBondContact NZ-OE1 3.34Å; K75-E79 PolarHBondContact O-N 2.95Å
76	A	43.8	Very low	42.1	Very low	43 Å²	43	115.6 Å²	115.6	36%	0.355	60%	0.601	S	S	.	*	H	α-helix	trans	-59.9	-43.3	176.5	0	0	0	0	0	112.1	Y73 R78 E79 I80	Y73-A76 PolarHBondContact O-N 2.93Å; A76-R78 VanDerWaalsContact C-N 3.27Å; A76-R78 PolarHBondContact O-N 3.07Å; A76-E79 PolarHBondContact O-N 3.46Å; A76-I80 WeakPolarHBondContact O-CB 3.42Å; A76-I80 WeakPolarHBondContact O-CD1 3.36Å; A76-I80 VanDerWaalsContact O-CG1 3.22Å; A76-I80 WeakPolarHBondContact O-CG1 3.5Å; A76-I80 PolarHBondContact O-N 3.11Å
77	L	46.9	Very low	42.6	Very low	82 Å²	82	119 Å²	119	43%	0.429	60%	0.597	S	S	.	*	H	α-helix	trans	-64.6	-29.5	175.5	-70.8	169.6	0	0	0	113	Y73 K75 R81	Y73-L77 HydrophobicContact CD1-CD1 4.25Å; Y73-L77 HydrophobicContact CD1-CG 4.37Å; Y73-L77 WeakPolarHBondContact O-CB 3.3Å; Y73-L77 VanDerWaalsContact O-CG 3.31Å; Y73-L77 WeakPolarHBondContact O-CG 3.28Å; Y73-L77 PolarHBondContact O-N 2.89Å; K75-L77 PolarHBondContact O-N 2.87Å; L77-R81 WeakPolarHBondContact O-CG 3.36Å; L77-R81 PolarHBondContact O-N 3.38Å
78	R	49.6	Very low	42.9	Very low	150 Å²	150	115.9 Å²	115.9	57%	0.566	58%	0.584	S	S	*	*	H	α-helix	trans	-73.4	-46.2	174.5	-169.1	-175.9	-56.8	170.5	2.7	111.4	Q74 K75 A76 I80 R81 Y82	Q74-R78 VanDerWaalsContact O-CB 3.28Å; Q74-R78 WeakPolarHBondContact O-CB 3.41Å; Q74-R78 PolarHBondContact O-N 3.46Å; Q74-R78 VanDerWaalsContact O-N 3.08Å; K75-R78 WeakPolarHBondContact O-CA 3.48Å; K75-R78 WeakPolarHBondContact O-CB 3.32Å; K75-R78 PolarHBondContact O-N 2.94Å; A76-R78 VanDerWaalsContact C-N 3.27Å; A76-R78 PolarHBondContact O-N 3.07Å; R78-I80 VanDerWaalsContact C-N 3.34Å; R78-I80 PolarHBondContact O-N 3.13Å; R78-R81 PolarHBondContact O-N 2.88Å; R78-Y82 HydrophobicContact CG-CD2 4.13Å; R78-Y82 HydrophobicContact CG-CE2 4.15Å; R78-Y82 WeakPolarHBondContact O-CD2 3.44Å; R78-Y82 PolarHBondContact O-N 3.26Å
79	E	49.1	Very low	42.8	Very low	103 Å²	103	118.3 Å²	118.3	48%	0.481	59%	0.592	S	S	.	*	H	α-helix	trans	-62	-40.8	175.4	-72.2	165.9	-178.4	0	0	111.1	K75 A76 Y82 S83	K75-E79 WeakPolarHBondContact CE-OE1 3.34Å; K75-E79 IonicContact NZ-OE1 2.81Å; K75-E79 PolarHBondContact NZ-OE1 3.34Å; K75-E79 PolarHBondContact O-N 2.95Å; A76-E79 PolarHBondContact O-N 3.46Å; E79-Y82 PolarHBondContact O-N 3.33Å; E79-S83 PolarHBondContact O-N 3.31Å
80	I	51	Low	42.4	Very low	91 Å²	91	117.7 Å²	117.7	47%	0.467	59%	0.592	S	S	.	*	H	α-helix	trans	-61.5	-45.2	172.3	-69	164.2	0	0	0	111.2	A76 R78 Y82 S83 L84	A76-I80 WeakPolarHBondContact O-CB 3.42Å; A76-I80 WeakPolarHBondContact O-CD1 3.36Å; A76-I80 VanDerWaalsContact O-CG1 3.22Å; A76-I80 WeakPolarHBondContact O-CG1 3.5Å; A76-I80 PolarHBondContact O-N 3.11Å; R78-I80 VanDerWaalsContact C-N 3.34Å; R78-I80 PolarHBondContact O-N 3.13Å; I80-Y82 PolarHBondContact O-N 3.07Å; I80-S83 PolarHBondContact O-N 2.83Å; I80-S83 PolarHBondContact O-OG 2.9Å; I80-L84 HydrophobicContact CG2-CD1 3.95Å; I80-L84 WeakPolarHBondContact O-CG 3.49Å; I80-L84 PolarHBondContact O-N 3.39Å
81	R	45.5	Very low	42.3	Very low	143 Å²	143	116.1 Å²	116.1	54%	0.54	60%	0.601	S	S	.	*	H	α-helix	trans	-59.6	-43.6	173.7	-83.1	-177.4	174.4	173.2	-0.5	112.3	L77 R78 L84 L85	L77-R81 WeakPolarHBondContact O-CG 3.36Å; L77-R81 PolarHBondContact O-N 3.38Å; R78-R81 PolarHBondContact O-N 2.88Å; R81-L84 PolarHBondContact O-N 3.44Å; R81-L85 PolarHBondContact O-N 3.19Å
82	Y	47.5	Very low	41.6	Very low	162 Å²	162	117.1 Å²	117.1	64%	0.635	61%	0.611	S	S	*	*	H	α-helix	trans	-64	-39.8	177.4	-92.4	-80.2	0	0	0	112.7	R78 E79 I80 L84 L85	R78-Y82 HydrophobicContact CG-CD2 4.13Å; R78-Y82 HydrophobicContact CG-CE2 4.15Å; R78-Y82 WeakPolarHBondContact O-CD2 3.44Å; R78-Y82 PolarHBondContact O-N 3.26Å; E79-Y82 PolarHBondContact O-N 3.33Å; I80-Y82 PolarHBondContact O-N 3.07Å; Y82-L84 PolarHBondContact O-N 3.41Å; Y82-L85 HydrophobicContact CD1-CD1 3.57Å; Y82-L85 HydrophobicContact CE1-CD1 3.9Å; Y82-L85 HydrophobicContact CG-CD1 4.25Å; Y82-L85 PolarHBondContact O-N 2.99Å
83	S	42.3	Very low	41	Very low	73 Å²	73	118.7 Å²	118.7	51%	0.51	62%	0.619	S	S	.	*	H	α-helix	trans	-67.1	-18.2	176	72.1	0	0	0	0	114.1	E79 I80	E79-S83 PolarHBondContact O-N 3.31Å; I80-S83 PolarHBondContact O-N 2.83Å; I80-S83 PolarHBondContact O-OG 2.9Å
84	L	43	Very low	40.4	Very low	94 Å²	94	115 Å²	115	49%	0.492	62%	0.616	S	S	.	*	H	α-helix	trans	-97.8	-10	179.1	-67.9	171.8	0	0	0	114	I80 R81 Y82 P86 F87 A88	I80-L84 HydrophobicContact CG2-CD1 3.95Å; I80-L84 WeakPolarHBondContact O-CG 3.49Å; I80-L84 PolarHBondContact O-N 3.39Å; R81-L84 PolarHBondContact O-N 3.44Å; Y82-L84 PolarHBondContact O-N 3.41Å; L84-P86 VanDerWaalsContact C-CD 3.45Å; L84-F87 PolarHBondContact O-N 3.21Å; L84-A88 PolarHBondContact O-N 3.49Å
85	L	39.5	Very low	39.9	Very low	104 Å²	104	113.2 Å²	113.2	55%	0.545	62%	0.624	S	S	.	*	G	3₁₀ helix	trans	-54.3	-40	175.5	-77.8	169.6	0	0	0	114	R81 Y82 F87 A88	R81-L85 PolarHBondContact O-N 3.19Å; Y82-L85 HydrophobicContact CD1-CD1 3.57Å; Y82-L85 HydrophobicContact CE1-CD1 3.9Å; Y82-L85 HydrophobicContact CG-CD1 4.25Å; Y82-L85 PolarHBondContact O-N 2.99Å; L85-F87 PolarHBondContact O-N 2.94Å; L85-A88 WeakPolarHBondContact O-CB 3.17Å; L85-A88 PolarHBondContact O-N 3.3Å
86	P	39.4	Very low	39.6	Very low	98 Å²	98	111.2 Å²	111.2	64%	0.636	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-64.8	-7.6	176.3	-22.7	35.3	0	0	0	115	L84	L84-P86 VanDerWaalsContact C-CD 3.45Å
87	F	38.7	Very low	39.6	Very low	171 Å²	171	110.6 Å²	110.6	75%	0.75	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-114.7	6.1	177.6	-54	-78.2	0	0	0	112.4	L84 L85 N89	L84-F87 PolarHBondContact O-N 3.21Å; L85-F87 PolarHBondContact O-N 2.94Å; F87-N89 PolarHBondContact O-N 3Å
88	A	39.2	Very low	40.2	Very low	64 Å²	64	115 Å²	115	53%	0.529	65%	0.646	S	S	.	*			trans	-102.3	58.3	-172.1	0	0	0	0	0	112.7	L84 L85 E90	L84-A88 PolarHBondContact O-N 3.49Å; L85-A88 WeakPolarHBondContact O-CB 3.17Å; L85-A88 PolarHBondContact O-N 3.3Å; A88-E90 PolarHBondContact O-N 3.34Å
89	N	33.7	Very low	41.2	Very low	152 Å²	152	109.4 Å²	109.4	81%	0.813	63%	0.628	S	S	*	*			trans	-76.6	111.6	174	-81.9	15.9	0	0	0	111.8	F87	F87-N89 PolarHBondContact O-N 3Å
90	E	27.5	Very low	42.6	Very low	195 Å²	195	108.1 Å²	108.1	91%	0.911	63%	0.625	S	S	*	*			trans	50.5	117	151.9	-54.1	-161.3	150.1	0	0	119.8	A88	A88-E90 PolarHBondContact O-N 3.34Å
91	S	32.8	Very low	44	Very low	128 Å²	128	113.6 Å²	113.6	90%	0.895	64%	0.639	S	S	*	*			trans	-113.2	121.3	177.3	59	0	0	0	0	112
92	G	28.6	Very low	45.7	Very low	73 Å²	73	113.2 Å²	113.2	75%	0.753	64%	0.644	S	S	*	*			trans	142.5	136.9	171.5	0	0	0	0	0	111.4
93	T	28.7	Very low	47.4	Very low	143 Å²	143	106.6 Å²	106.6	88%	0.877	62%	0.619	S	S	*	*			cis	-142	154.4	4.9	53.2	0	0	0	0	110.9
94	S	30.2	Very low	49.3	Very low	83 Å²	83	104.7 Å²	104.7	58%	0.58	60%	0.603	S	S	*	*			trans	-158.2	102.1	158.2	-172.3	0	0	0	0	108.6
95	A	35.5	Very low	51.2	Low	92 Å²	92	104.5 Å²	104.5	76%	0.76	60%	0.599	S	S	*	*			trans	-63.5	140.7	154.9	0	0	0	0	0	107.2	A97	A95-A97 VanDerWaalsContact C-N 3.29Å; A95-A97 PolarHBondContact O-N 3.02Å
96	A	38.1	Very low	53.3	Low	92 Å²	92	103.8 Å²	103.8	76%	0.76	59%	0.593	S	S	*	*			trans	-70.7	84	-172.1	0	0	0	0	0	111.6	E98	A96-E98 PolarHBondContact O-N 2.86Å
97	A	45	Very low	55.2	Low	30 Å²	30	99.2 Å²	99.2	25%	0.248	56%	0.563	C	S	.	*	P	Polyproline II helix	trans	-57.5	119.2	168.8	0	0	0	0	0	108.8	A95	A95-A97 VanDerWaalsContact C-N 3.29Å; A95-A97 PolarHBondContact O-N 3.02Å
98	E	59.5	Low	57.4	Low	175 Å²	175	92.8 Å²	92.8	82%	0.818	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-71.4	135.6	168.6	-165.6	159.7	-156.6	0	0	108.4	A96 N100 S126	A96-E98 PolarHBondContact O-N 2.86Å; E98-N100 PolarHBondContact O-N 3.2Å; E98-S126 PolarHBondContact O-OG 3.16Å
99	V	70.6	Confident	59.3	Low	32 Å²	32	95.6 Å²	95.6	19%	0.194	54%	0.544	C	S	.	.	P	Polyproline II helix	trans	-80.3	123.1	-171.5	174	0	0	0	0	108.9	R101 L104 L121 K122	V99-R101 PolarHBondContact O-N 3.25Å; V99-L104 HydrophobicContact CG1-CB 4.2Å; V99-L104 HydrophobicContact CG1-CD2 4.16Å; V99-L121 HydrophobicContact CG1-CB 3.81Å; V99-L121 HydrophobicContact CG1-CD1 3.86Å; V99-K122 HydrophobicContact CG2-CB 3.74Å; V99-K122 HydrophobicContact CG2-CD 4.21Å; V99-K122 HydrophobicContact CG2-CG 4.16Å
100	N	77.4	Confident	61.1	Low	75 Å²	75	91.6 Å²	91.6	40%	0.401	53%	0.533	S	S	.	.			trans	-61.6	110.5	175	-176.8	-15.6	0	0	0	109.4	E98 Q102 M103 L104 S126	E98-N100 PolarHBondContact O-N 3.2Å; N100-Q102 PolarHBondContact O-N 3.39Å; N100-Q102 PolarHBondContact OD1-N 3.24Å; N100-Q102 VanDerWaalsContact OD1-N 3.1Å; N100-M103 HydrophobicContact CB-CB 4.4Å; N100-M103 HydrophobicContact CB-CG 4.2Å; N100-M103 HydrophobicContact CB-SD 3.78Å; N100-M103 PolarHBondContact ND2-SD 3.49Å; N100-M103 VanDerWaalsContact ND2-SD 3.43Å; N100-M103 PolarHBondContact O-N 3.23Å; N100-L104 PolarHBondContact O-N 2.83Å; N100-L104 VanDerWaalsContact O-N 3.1Å; N100-S126 PolarHBondContact N-OG 3.16Å; N100-S126 VanDerWaalsContact N-OG 3.14Å
101	R	80.9	Confident	62.9	Low	207 Å²	207	85.5 Å²	85.5	78%	0.781	52%	0.522	S	S	*	.	H	α-helix	trans	-63.7	-28.7	-173.8	-67.8	-172.6	179.8	-137.9	3.7	113.2	V99 Q105	V99-R101 PolarHBondContact O-N 3.25Å; R101-Q105 PolarHBondContact O-N 2.7Å
102	Q	82.3	Confident	64.8	Low	134 Å²	134	80.8 Å²	80.8	63%	0.626	49%	0.489	S	S	*	.	H	α-helix	trans	-73	-48.3	-178.9	-173.8	164.3	-14.8	0	0	111.1	N100 L104 Q105 E106	N100-Q102 PolarHBondContact O-N 3.39Å; N100-Q102 PolarHBondContact OD1-N 3.24Å; N100-Q102 VanDerWaalsContact OD1-N 3.1Å; Q102-L104 PolarHBondContact O-N 2.81Å; Q102-Q105 PolarHBondContact O-N 3.47Å; Q102-E106 WeakPolarHBondContact CG-OE1 3.42Å; Q102-E106 PolarHBondContact O-N 3.48Å
103	M	81.5	Confident	67.4	Low	23 Å²	23	81.8 Å²	81.8	11%	0.113	48%	0.477	C	S	.	.	H	α-helix	trans	-60.1	-34.7	172.8	-60.5	169.4	76.2	0	0	112.2	N100 L107 L121 S126 I129	N100-M103 HydrophobicContact CB-CB 4.4Å; N100-M103 HydrophobicContact CB-CG 4.2Å; N100-M103 HydrophobicContact CB-SD 3.78Å; N100-M103 PolarHBondContact ND2-SD 3.49Å; N100-M103 VanDerWaalsContact ND2-SD 3.43Å; N100-M103 PolarHBondContact O-N 3.23Å; M103-L107 WeakPolarHBondContact O-CG 3.18Å; M103-L107 PolarHBondContact O-N 3.04Å; M103-L121 HydrophobicContact CB-CD1 3.97Å; M103-L121 HydrophobicContact CB-CD2 3.98Å; M103-L121 HydrophobicContact CE-CD2 3.81Å; M103-L121 HydrophobicContact SD-CD2 4.39Å; M103-S126 WeakPolarHBondContact CE-O 3.08Å; M103-S126 VanDerWaalsContact SD-O 3.42Å; M103-I129 HydrophobicContact CB-CD1 4.39Å; M103-I129 HydrophobicContact CB-CG1 4.18Å; M103-I129 HydrophobicContact CE-CG1 3.82Å; M103-I129 HydrophobicContact CG-CD1 4.37Å; M103-I129 HydrophobicContact CG-CG1 4.18Å
104	L	83.8	Confident	69.8	Low	33 Å²	33	80.4 Å²	80.4	17%	0.173	46%	0.46	C	S	.	.	H	α-helix	trans	-64.8	-42.7	174.5	178.7	57.9	0	0	0	111.5	V99 N100 Q102 V108 A117 L121	V99-L104 HydrophobicContact CG1-CB 4.2Å; V99-L104 HydrophobicContact CG1-CD2 4.16Å; N100-L104 PolarHBondContact O-N 2.83Å; N100-L104 VanDerWaalsContact O-N 3.1Å; Q102-L104 PolarHBondContact O-N 2.81Å; L104-V108 HydrophobicContact CD1-CG2 4.44Å; L104-V108 VanDerWaalsContact O-CG2 3.27Å; L104-V108 WeakPolarHBondContact O-CG2 3.35Å; L104-V108 PolarHBondContact O-N 3.37Å; L104-V108 VanDerWaalsContact O-N 3.13Å; L104-A117 HydrophobicContact CD1-CB 3.73Å; L104-L121 HydrophobicContact CB-CD1 3.77Å; L104-L121 HydrophobicContact CD1-CD1 4.34Å
105	Q	83.1	Confident	71.9	Confident	91 Å²	91	82.3 Å²	82.3	43%	0.425	46%	0.46	S	S	.	.	H	α-helix	trans	-67.8	-39.1	177.5	-166	61.4	58.4	0	0	111.8	R101 Q102 V108 N109	R101-Q105 PolarHBondContact O-N 2.7Å; Q102-Q105 PolarHBondContact O-N 3.47Å; Q105-V108 PolarHBondContact O-N 2.85Å; Q105-N109 PolarHBondContact NE2-OD1 3.24Å; Q105-N109 WeakPolarHBondContact O-CB 3.39Å; Q105-N109 PolarHBondContact O-N 3.16Å; Q105-N109 PolarHBondContact O-OD1 3.29Å
106	E	82.1	Confident	73.8	Confident	89 Å²	89	81.9 Å²	81.9	42%	0.416	44%	0.443	S	S	.	.	H	α-helix	trans	-64.8	-42.9	177.2	-72.9	169.7	-154.2	0	0	112.1	Q102 V108 N109 A110 I129	Q102-E106 WeakPolarHBondContact CG-OE1 3.42Å; Q102-E106 PolarHBondContact O-N 3.48Å; E106-V108 PolarHBondContact O-N 3.37Å; E106-N109 PolarHBondContact O-N 3.49Å; E106-A110 WeakPolarHBondContact O-CB 3.32Å; E106-A110 PolarHBondContact O-N 3.35Å; E106-I129 HydrophobicContact CB-CD1 4.11Å; E106-I129 WeakPolarHBondContact OE2-CD1 3.39Å
107	L	79.9	Confident	75.8	Confident	1 Å²	1	77.5 Å²	77.5	1%	0.005	41%	0.407	C	S	.	.	H	α-helix	trans	-61.6	-40.1	172.8	-76.1	170.9	0	0	0	112.9	M103 A110 G111 C112 A117 L121 I129 A132 L133	M103-L107 WeakPolarHBondContact O-CG 3.18Å; M103-L107 PolarHBondContact O-N 3.04Å; L107-A110 PolarHBondContact O-N 2.86Å; L107-G111 PolarHBondContact O-N 3.47Å; L107-C112 HydrophobicContact CB-CB 4.48Å; L107-C112 VanDerWaalsContact O-CB 3.28Å; L107-C112 WeakPolarHBondContact O-CB 3.11Å; L107-C112 PolarHBondContact O-N 2.94Å; L107-A117 HydrophobicContact CB-CB 3.77Å; L107-A117 HydrophobicContact CD1-CB 3.96Å; L107-L121 HydrophobicContact CD1-CD1 3.84Å; L107-L121 HydrophobicContact CD1-CD2 4.15Å; L107-L121 HydrophobicContact CD1-CG 3.82Å; L107-I129 HydrophobicContact CD2-CG2 3.78Å; L107-I129 HydrophobicContact CG-CG2 4.27Å; L107-A132 HydrophobicContact CD1-CB 3.79Å; L107-L133 HydrophobicContact CD2-CD1 4.44Å; L107-L133 HydrophobicContact CD2-CD2 3.55Å; L107-L133 HydrophobicContact CD2-CG 3.72Å
108	V	84.1	Confident	77.5	Confident	36 Å²	36	76.9 Å²	76.9	22%	0.218	40%	0.404	C	S	.	.	H	α-helix	trans	-68.7	-41.8	177.4	169	0	0	0	0	111.2	L104 Q105 E106 A110 G111 Q114	L104-V108 HydrophobicContact CD1-CG2 4.44Å; L104-V108 VanDerWaalsContact O-CG2 3.27Å; L104-V108 WeakPolarHBondContact O-CG2 3.35Å; L104-V108 PolarHBondContact O-N 3.37Å; L104-V108 VanDerWaalsContact O-N 3.13Å; Q105-V108 PolarHBondContact O-N 2.85Å; E106-V108 PolarHBondContact O-N 3.37Å; V108-A110 PolarHBondContact O-N 2.88Å; V108-G111 PolarHBondContact O-N 3.27Å; V108-Q114 HydrophobicContact CG2-CB 3.68Å; V108-Q114 HydrophobicContact CG2-CG 3.77Å
109	N	80.3	Confident	78.3	Confident	123 Å²	123	76.2 Å²	76.2	66%	0.658	39%	0.394	S	S	*	.	H	α-helix	trans	-64.9	-30	175.4	-67	-1.3	0	0	0	111.7	Q105 E106 G111	Q105-N109 PolarHBondContact NE2-OD1 3.24Å; Q105-N109 WeakPolarHBondContact O-CB 3.39Å; Q105-N109 PolarHBondContact O-N 3.16Å; Q105-N109 PolarHBondContact O-OD1 3.29Å; E106-N109 PolarHBondContact O-N 3.49Å; N109-G111 PolarHBondContact O-N 3.38Å
110	A	70.6	Confident	78.8	Confident	69 Å²	69	74.7 Å²	74.7	57%	0.57	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	5.7	170.5	0	0	0	0	0	114.2	E106 L107 V108	E106-A110 WeakPolarHBondContact O-CB 3.32Å; E106-A110 PolarHBondContact O-N 3.35Å; L107-A110 PolarHBondContact O-N 2.86Å; V108-A110 PolarHBondContact O-N 2.88Å
111	G	64.9	Low	79.1	Confident	67 Å²	67	71.1 Å²	71.1	69%	0.691	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	10.8	174.3	0	0	0	0	0	115.7	L107 V108 N109	L107-G111 PolarHBondContact O-N 3.47Å; V108-G111 PolarHBondContact O-N 3.27Å; N109-G111 PolarHBondContact O-N 3.38Å
112	C	72.8	Confident	79	Confident	29 Å²	29	66.1 Å²	66.1	20%	0.196	35%	0.349	C	S	.	.			trans	-77.3	142.8	170.2	-63.9	0	0	0	0	111.1	L107 Q114 A117 I136	L107-C112 HydrophobicContact CB-CB 4.48Å; L107-C112 VanDerWaalsContact O-CB 3.28Å; L107-C112 WeakPolarHBondContact O-CB 3.11Å; L107-C112 PolarHBondContact O-N 2.94Å; C112-Q114 PolarHBondContact O-N 3.46Å; C112-A117 HydrophobicContact CB-CB 4.37Å; C112-I136 HydrophobicContact CB-CD1 4.41Å
113	D	83.9	Confident	78.7	Confident	94 Å²	94	65.4 Å²	65.4	50%	0.503	35%	0.346	S	S	.	.			trans	-58.5	136.6	173.8	171	-93.9	0	0	0	111.5	E115 M116 A117	D113-E115 PolarHBondContact O-N 3.06Å; D113-E115 WeakPolarHBondContact OD1-CA 3.17Å; D113-E115 WeakPolarHBondContact OD1-CB 3.36Å; D113-E115 PolarHBondContact OD1-N 2.92Å; D113-M116 HydrophobicContact CB-CB 3.89Å; D113-M116 PolarHBondContact O-N 3.41Å; D113-M116 VanDerWaalsContact O-N 3.14Å; D113-M116 PolarHBondContact OD1-N 2.89Å; D113-A117 WeakPolarHBondContact O-CB 3.49Å; D113-A117 PolarHBondContact O-N 3.13Å
114	Q	78.9	Confident	78.6	Confident	114 Å²	114	65.4 Å²	65.4	53%	0.533	35%	0.347	S	S	.	.	H	α-helix	trans	-68.9	-32.4	-171.1	-173.7	166.2	30	0	0	113.6	V108 C112 G118	V108-Q114 HydrophobicContact CG2-CB 3.68Å; V108-Q114 HydrophobicContact CG2-CG 3.77Å; C112-Q114 PolarHBondContact O-N 3.46Å; Q114-G118 PolarHBondContact O-N 3.32Å
115	E	75.6	Confident	78.3	Confident	123 Å²	123	65.5 Å²	65.5	58%	0.575	36%	0.356	S	S	*	.	H	α-helix	trans	-73.2	-37.9	170.9	-80	-154	-145.2	0	0	111.3	D113 G118 R119	D113-E115 PolarHBondContact O-N 3.06Å; D113-E115 WeakPolarHBondContact OD1-CA 3.17Å; D113-E115 WeakPolarHBondContact OD1-CB 3.36Å; D113-E115 PolarHBondContact OD1-N 2.92Å; E115-G118 PolarHBondContact O-N 3.26Å; E115-R119 WeakPolarHBondContact O-CB 3.4Å; E115-R119 WeakPolarHBondContact O-CD 3.42Å; E115-R119 WeakPolarHBondContact O-CG 3.33Å; E115-R119 PolarHBondContact O-N 2.8Å; E115-R119 IonicContact OE2-CZ 2.75Å; E115-R119 IonicContact OE2-NE 3.24Å; E115-R119 IonicContact OE2-NH2 2.83Å; E115-R119 PolarHBondContact OE2-NH2 3.22Å
116	M	75.3	Confident	78.1	Confident	83 Å²	83	62.2 Å²	62.2	41%	0.409	34%	0.343	S	S	.	.	H	α-helix	trans	-66.8	-45	179.2	-158.9	176.2	-61.9	0	0	112	D113 R119 A120 I136	D113-M116 HydrophobicContact CB-CB 3.89Å; D113-M116 PolarHBondContact O-N 3.41Å; D113-M116 VanDerWaalsContact O-N 3.14Å; D113-M116 PolarHBondContact OD1-N 2.89Å; M116-R119 PolarHBondContact O-N 3.22Å; M116-A120 WeakPolarHBondContact O-CB 3.45Å; M116-A120 PolarHBondContact O-N 3.15Å; M116-I136 HydrophobicContact CG-CG1 4.3Å; M116-I136 HydrophobicContact SD-CG2 3.98Å
117	A	79.3	Confident	77.6	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-63	-43.2	172.8	0	0	0	0	0	111.9	L104 L107 C112 D113 R119 A120 L121	L104-A117 HydrophobicContact CD1-CB 3.73Å; L107-A117 HydrophobicContact CB-CB 3.77Å; L107-A117 HydrophobicContact CD1-CB 3.96Å; C112-A117 HydrophobicContact CB-CB 4.37Å; D113-A117 WeakPolarHBondContact O-CB 3.49Å; D113-A117 PolarHBondContact O-N 3.13Å; A117-R119 VanDerWaalsContact C-N 3.35Å; A117-R119 PolarHBondContact O-N 2.6Å; A117-A120 PolarHBondContact O-N 3.39Å; A117-L121 PolarHBondContact O-N 3.44Å
118	G	80.3	Confident	77.7	Confident	17 Å²	17	70.1 Å²	70.1	18%	0.175	38%	0.375	C	S	.	.	H	α-helix	trans	-62.4	-38.8	176.3	0	0	0	0	0	113.1	Q114 E115 K122	Q114-G118 PolarHBondContact O-N 3.32Å; E115-G118 PolarHBondContact O-N 3.26Å; G118-K122 VanDerWaalsContact O-CB 3.32Å; G118-K122 WeakPolarHBondContact O-CB 3.24Å; G118-K122 PolarHBondContact O-N 2.6Å
119	R	77.3	Confident	77.3	Confident	160 Å²	160	70.4 Å²	70.4	60%	0.604	38%	0.375	S	S	*	.	H	α-helix	trans	-71.1	-39.8	174.1	-68.9	165.3	-168.3	-161.1	7.9	112.1	E115 M116 A117 K122 Q123	E115-R119 WeakPolarHBondContact O-CB 3.4Å; E115-R119 WeakPolarHBondContact O-CD 3.42Å; E115-R119 WeakPolarHBondContact O-CG 3.33Å; E115-R119 PolarHBondContact O-N 2.8Å; E115-R119 IonicContact OE2-CZ 2.75Å; E115-R119 IonicContact OE2-NE 3.24Å; E115-R119 IonicContact OE2-NH2 2.83Å; E115-R119 PolarHBondContact OE2-NH2 3.22Å; M116-R119 PolarHBondContact O-N 3.22Å; A117-R119 VanDerWaalsContact C-N 3.35Å; A117-R119 PolarHBondContact O-N 2.6Å; R119-K122 PolarHBondContact O-N 3.34Å; R119-Q123 WeakPolarHBondContact O-CG 3.17Å; R119-Q123 PolarHBondContact O-N 2.92Å
120	A	80.8	Confident	77.3	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-62.8	-52.9	178.6	0	0	0	0	0	111.5	M116 A117 K122 Q123 T124 A132 Y135 I136	M116-A120 WeakPolarHBondContact O-CB 3.45Å; M116-A120 PolarHBondContact O-N 3.15Å; A117-A120 PolarHBondContact O-N 3.39Å; A120-K122 VanDerWaalsContact C-N 3.26Å; A120-K122 PolarHBondContact O-N 2.99Å; A120-Q123 PolarHBondContact O-N 3.23Å; A120-Q123 VanDerWaalsContact O-N 3.08Å; A120-T124 WeakPolarHBondContact O-CG2 3.36Å; A120-T124 PolarHBondContact O-N 2.65Å; A120-T124 PolarHBondContact O-OG1 2.84Å; A120-A132 HydrophobicContact CB-CB 4.16Å; A120-Y135 HydrophobicContact CB-CD1 3.8Å; A120-I136 HydrophobicContact CB-CD1 3.97Å; A120-I136 HydrophobicContact CB-CG1 3.68Å
121	L	82.8	Confident	77.8	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-59.2	-37	175.9	-72.5	169.4	0	0	0	112.2	V99 M103 L104 L107 A117 Q123 G125 S126 A132	V99-L121 HydrophobicContact CG1-CB 3.81Å; V99-L121 HydrophobicContact CG1-CD1 3.86Å; M103-L121 HydrophobicContact CB-CD1 3.97Å; M103-L121 HydrophobicContact CB-CD2 3.98Å; M103-L121 HydrophobicContact CE-CD2 3.81Å; M103-L121 HydrophobicContact SD-CD2 4.39Å; L104-L121 HydrophobicContact CB-CD1 3.77Å; L104-L121 HydrophobicContact CD1-CD1 4.34Å; L107-L121 HydrophobicContact CD1-CD1 3.84Å; L107-L121 HydrophobicContact CD1-CD2 4.15Å; L107-L121 HydrophobicContact CD1-CG 3.82Å; A117-L121 PolarHBondContact O-N 3.44Å; L121-Q123 VanDerWaalsContact C-N 3.31Å; L121-Q123 PolarHBondContact O-N 3.16Å; L121-G125 CarbonylContact O-C 3.5Å; L121-G125 PolarHBondContact O-N 3.01Å; L121-S126 PolarHBondContact O-N 2.94Å; L121-A132 HydrophobicContact CD2-CB 3.9Å; L121-A132 HydrophobicContact CG-CB 4.23Å
122	K	79.5	Confident	78.6	Confident	102 Å²	102	66 Å²	66	44%	0.443	33%	0.326	S	S	.	.	H	α-helix	trans	-68.5	-27.9	177.6	-162.5	160	-169.3	166.9	0	113.6	V99 G118 R119 A120	V99-K122 HydrophobicContact CG2-CB 3.74Å; V99-K122 HydrophobicContact CG2-CD 4.21Å; V99-K122 HydrophobicContact CG2-CG 4.16Å; G118-K122 VanDerWaalsContact O-CB 3.32Å; G118-K122 WeakPolarHBondContact O-CB 3.24Å; G118-K122 PolarHBondContact O-N 2.6Å; R119-K122 PolarHBondContact O-N 3.34Å; A120-K122 VanDerWaalsContact C-N 3.26Å; A120-K122 PolarHBondContact O-N 2.99Å
123	Q	76.4	Confident	78.8	Confident	120 Å²	120	68.2 Å²	68.2	56%	0.561	34%	0.335	S	S	*	.	H	α-helix	trans	-88.9	-29.7	176.4	-72.7	-75.6	28	0	0	113.4	R119 A120 L121 G125 Y135	R119-Q123 WeakPolarHBondContact O-CG 3.17Å; R119-Q123 PolarHBondContact O-N 2.92Å; A120-Q123 PolarHBondContact O-N 3.23Å; A120-Q123 VanDerWaalsContact O-N 3.08Å; L121-Q123 VanDerWaalsContact C-N 3.31Å; L121-Q123 PolarHBondContact O-N 3.16Å; Q123-G125 VanDerWaalsContact C-N 3.27Å; Q123-Y135 HydrophobicContact CB-CD2 4.46Å; Q123-Y135 HydrophobicContact CB-CE1 4.23Å; Q123-Y135 HydrophobicContact CB-CE2 3.9Å; Q123-Y135 HydrophobicContact CG-CE1 4.42Å; Q123-Y135 HydrophobicContact CG-CE2 4.43Å
124	T	78.9	Confident	78.6	Confident	23 Å²	23	68.9 Å²	68.9	14%	0.141	34%	0.335	C	S	.	.	H	α-helix	trans	-83.7	-3.3	171.8	63.5	0	0	0	0	113.1	A120 S126 R127 A131 Y135	A120-T124 WeakPolarHBondContact O-CG2 3.36Å; A120-T124 PolarHBondContact O-N 2.65Å; A120-T124 PolarHBondContact O-OG1 2.84Å; T124-S126 VanDerWaalsContact C-N 3.34Å; T124-R127 WeakPolarHBondContact O-CB 3.26Å; T124-R127 VanDerWaalsContact O-CD 3.32Å; T124-R127 WeakPolarHBondContact O-CD 3.27Å; T124-R127 WeakPolarHBondContact O-CG 3.49Å; T124-A131 HydrophobicContact CG2-CB 4.16Å; T124-A131 WeakPolarHBondContact CG2-O 3.37Å; T124-Y135 HydrophobicContact CG2-CG 4.44Å
125	G	77.1	Confident	78.5	Confident	34 Å²	34	67.2 Å²	67.2	35%	0.351	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	30.5	-179	0	0	0	0	0	113.6	L121 Q123 R127	L121-G125 CarbonylContact O-C 3.5Å; L121-G125 PolarHBondContact O-N 3.01Å; Q123-G125 VanDerWaalsContact C-N 3.27Å; G125-R127 PolarHBondContact O-N 3.43Å
126	S	79.1	Confident	78.6	Confident	22 Å²	22	62.8 Å²	62.8	15%	0.154	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	29.4	-175.1	-52.8	0	0	0	0	114.4	E98 N100 M103 L121 T124	E98-S126 PolarHBondContact O-OG 3.16Å; N100-S126 PolarHBondContact N-OG 3.16Å; N100-S126 VanDerWaalsContact N-OG 3.14Å; M103-S126 WeakPolarHBondContact CE-O 3.08Å; M103-S126 VanDerWaalsContact SD-O 3.42Å; L121-S126 PolarHBondContact O-N 2.94Å; T124-S126 VanDerWaalsContact C-N 3.34Å
127	R	71	Confident	78.5	Confident	219 Å²	219	62 Å²	62	83%	0.826	31%	0.308	S	S	*	.			trans	-74	-40.6	-171.7	-72.3	175.6	-177.9	-169.6	0.4	115.3	T124 G125	T124-R127 WeakPolarHBondContact O-CB 3.26Å; T124-R127 VanDerWaalsContact O-CD 3.32Å; T124-R127 WeakPolarHBondContact O-CD 3.27Å; T124-R127 WeakPolarHBondContact O-CG 3.49Å; G125-R127 PolarHBondContact O-N 3.43Å
128	S	82.2	Confident	78	Confident	38 Å²	38	69.2 Å²	69.2	27%	0.266	34%	0.339	S	S	.	.			trans	-158.7	166.9	171.2	98.4	0	0	0	0	110.9	E130 A131 A132	S128-E130 WeakPolarHBondContact CB-OE2 3.27Å; S128-E130 PolarHBondContact OG-N 2.9Å; S128-E130 PolarHBondContact OG-OE2 2.76Å; S128-A131 PolarHBondContact OG-N 3.23Å; S128-A131 VanDerWaalsContact OG-N 3.1Å; S128-A132 PolarHBondContact O-N 2.86Å
129	I	75.4	Confident	77	Confident	42 Å²	42	74.7 Å²	74.7	22%	0.215	36%	0.361	C	S	.	.	H	α-helix	trans	-77.3	-38.1	178.2	-66.3	-177.2	0	0	0	110.6	M103 E106 L107 A131 A132 L133	M103-I129 HydrophobicContact CB-CD1 4.39Å; M103-I129 HydrophobicContact CB-CG1 4.18Å; M103-I129 HydrophobicContact CE-CG1 3.82Å; M103-I129 HydrophobicContact CG-CD1 4.37Å; M103-I129 HydrophobicContact CG-CG1 4.18Å; E106-I129 HydrophobicContact CB-CD1 4.11Å; E106-I129 WeakPolarHBondContact OE2-CD1 3.39Å; L107-I129 HydrophobicContact CD2-CG2 3.78Å; L107-I129 HydrophobicContact CG-CG2 4.27Å; I129-A131 VanDerWaalsContact C-N 3.34Å; I129-A131 PolarHBondContact O-N 2.85Å; I129-A132 WeakPolarHBondContact O-CB 3.49Å; I129-A132 PolarHBondContact O-N 2.83Å; I129-A132 VanDerWaalsContact O-N 3.15Å; I129-L133 HydrophobicContact CG2-CD1 4.09Å; I129-L133 HydrophobicContact CG2-CG 4.41Å; I129-L133 WeakPolarHBondContact O-CG 3.24Å; I129-L133 PolarHBondContact O-N 2.93Å
130	E	81.2	Confident	75.9	Confident	133 Å²	133	69.3 Å²	69.3	62%	0.621	36%	0.356	S	S	*	.	H	α-helix	trans	-60.3	-43.9	175.1	-52.2	75.7	-167.7	0	0	111	S128 A132 L133 E134	S128-E130 WeakPolarHBondContact CB-OE2 3.27Å; S128-E130 PolarHBondContact OG-N 2.9Å; S128-E130 PolarHBondContact OG-OE2 2.76Å; E130-A132 VanDerWaalsContact C-N 3.29Å; E130-A132 PolarHBondContact O-N 3.32Å; E130-L133 PolarHBondContact O-N 3.23Å; E130-E134 WeakPolarHBondContact O-CB 3.32Å; E130-E134 PolarHBondContact O-N 2.92Å
131	A	82.1	Confident	73.8	Confident	32 Å²	32	78 Å²	78	26%	0.264	39%	0.39	S	S	.	.	H	α-helix	trans	-60.5	-39.4	176.2	0	0	0	0	0	111.7	T124 S128 I129 Y135	T124-A131 HydrophobicContact CG2-CB 4.16Å; T124-A131 WeakPolarHBondContact CG2-O 3.37Å; S128-A131 PolarHBondContact OG-N 3.23Å; S128-A131 VanDerWaalsContact OG-N 3.1Å; I129-A131 VanDerWaalsContact C-N 3.34Å; I129-A131 PolarHBondContact O-N 2.85Å; A131-Y135 WeakPolarHBondContact O-CB 3.4Å; A131-Y135 PolarHBondContact O-N 3.46Å
132	A	80.5	Confident	71.6	Confident	0 Å²	0	86.7 Å²	86.7	0%	0	44%	0.436	C	S	.	.	H	α-helix	trans	-68.6	-41.5	175.9	0	0	0	0	0	112	L107 A120 L121 S128 I129 E130 Y135 I136	L107-A132 HydrophobicContact CD1-CB 3.79Å; A120-A132 HydrophobicContact CB-CB 4.16Å; L121-A132 HydrophobicContact CD2-CB 3.9Å; L121-A132 HydrophobicContact CG-CB 4.23Å; S128-A132 PolarHBondContact O-N 2.86Å; I129-A132 WeakPolarHBondContact O-CB 3.49Å; I129-A132 PolarHBondContact O-N 2.83Å; I129-A132 VanDerWaalsContact O-N 3.15Å; E130-A132 VanDerWaalsContact C-N 3.29Å; E130-A132 PolarHBondContact O-N 3.32Å; A132-Y135 PolarHBondContact O-N 3.03Å; A132-I136 VanDerWaalsContact O-CG1 3.24Å; A132-I136 WeakPolarHBondContact O-CG1 3.39Å; A132-I136 PolarHBondContact O-N 3.19Å
133	L	77.3	Confident	69.6	Low	76 Å²	76	87.5 Å²	87.5	40%	0.398	45%	0.445	S	S	.	.	H	α-helix	trans	-65.5	-38.1	174.9	-70.7	172.1	0	0	0	112.4	L107 I129 E130 I136 S137	L107-L133 HydrophobicContact CD2-CD1 4.44Å; L107-L133 HydrophobicContact CD2-CD2 3.55Å; L107-L133 HydrophobicContact CD2-CG 3.72Å; I129-L133 HydrophobicContact CG2-CD1 4.09Å; I129-L133 HydrophobicContact CG2-CG 4.41Å; I129-L133 WeakPolarHBondContact O-CG 3.24Å; I129-L133 PolarHBondContact O-N 2.93Å; E130-L133 PolarHBondContact O-N 3.23Å; L133-I136 PolarHBondContact O-N 3.34Å; L133-S137 WeakPolarHBondContact O-CB 3.47Å; L133-S137 PolarHBondContact O-N 3.33Å
134	E	79.6	Confident	68.1	Low	108 Å²	108	86.3 Å²	86.3	51%	0.505	45%	0.448	S	S	.	.	H	α-helix	trans	-66.8	-40.7	174.9	-160.6	-163	167.5	0	0	111.2	E130 S137 K138	E130-E134 WeakPolarHBondContact O-CB 3.32Å; E130-E134 PolarHBondContact O-N 2.92Å; E134-S137 PolarHBondContact O-N 2.84Å; E134-K138 HydrophobicContact CG-CD 4.5Å; E134-K138 WeakPolarHBondContact O-CB 3.49Å; E134-K138 WeakPolarHBondContact O-CG 3.41Å; E134-K138 PolarHBondContact O-N 3.43Å; E134-K138 WeakPolarHBondContact OE1-CE 3.49Å; E134-K138 IonicContact OE1-NZ 3.72Å; E134-K138 PolarHBondContact OE1-NZ 3.41Å
135	Y	77.8	Confident	66.6	Low	79 Å²	79	95 Å²	95	31%	0.31	48%	0.478	S	S	.	.	H	α-helix	trans	-61.1	-45.7	173.2	-173.3	-89.5	0	0	0	111.7	A120 Q123 T124 A131 A132 S137 K138 M139	A120-Y135 HydrophobicContact CB-CD1 3.8Å; Q123-Y135 HydrophobicContact CB-CD2 4.46Å; Q123-Y135 HydrophobicContact CB-CE1 4.23Å; Q123-Y135 HydrophobicContact CB-CE2 3.9Å; Q123-Y135 HydrophobicContact CG-CE1 4.42Å; Q123-Y135 HydrophobicContact CG-CE2 4.43Å; T124-Y135 HydrophobicContact CG2-CG 4.44Å; A131-Y135 WeakPolarHBondContact O-CB 3.4Å; A131-Y135 PolarHBondContact O-N 3.46Å; A132-Y135 PolarHBondContact O-N 3.03Å; Y135-S137 VanDerWaalsContact C-N 3.34Å; Y135-S137 PolarHBondContact O-N 2.87Å; Y135-K138 PolarHBondContact O-N 3.4Å; Y135-M139 HydrophobicContact CD1-CG 4.31Å; Y135-M139 HydrophobicContact CE1-CG 3.97Å; Y135-M139 WeakPolarHBondContact O-CG 3.47Å; Y135-M139 PolarHBondContact O-N 2.87Å
136	I	77	Confident	65.4	Low	30 Å²	30	98.5 Å²	98.5	15%	0.154	49%	0.488	C	S	.	.	H	α-helix	trans	-59	-45.9	173.7	-69	164.8	0	0	0	110.5	C112 M116 A120 A132 L133 K138 M139	C112-I136 HydrophobicContact CB-CD1 4.41Å; M116-I136 HydrophobicContact CG-CG1 4.3Å; M116-I136 HydrophobicContact SD-CG2 3.98Å; A120-I136 HydrophobicContact CB-CD1 3.97Å; A120-I136 HydrophobicContact CB-CG1 3.68Å; A132-I136 VanDerWaalsContact O-CG1 3.24Å; A132-I136 WeakPolarHBondContact O-CG1 3.39Å; A132-I136 PolarHBondContact O-N 3.19Å; L133-I136 PolarHBondContact O-N 3.34Å; I136-K138 VanDerWaalsContact C-N 3.29Å; I136-K138 PolarHBondContact O-N 3.31Å; I136-M139 PolarHBondContact O-N 3.29Å
137	S	73.2	Confident	63.8	Low	68 Å²	68	100 Å²	100	48%	0.476	49%	0.493	S	S	.	.	H	α-helix	trans	-66	-26.7	179.4	-171.6	0	0	0	0	113.8	L133 E134 Y135	L133-S137 WeakPolarHBondContact O-CB 3.47Å; L133-S137 PolarHBondContact O-N 3.33Å; E134-S137 PolarHBondContact O-N 2.84Å; Y135-S137 VanDerWaalsContact C-N 3.34Å; Y135-S137 PolarHBondContact O-N 2.87Å
138	K	68.8	Low	62.5	Low	150 Å²	150	95.7 Å²	95.7	65%	0.652	48%	0.482	S	S	*	.	H	α-helix	trans	-81.8	-22.9	177.2	-78.6	174.7	178.7	168.6	0	113.5	E134 Y135 I136 G140	E134-K138 HydrophobicContact CG-CD 4.5Å; E134-K138 WeakPolarHBondContact O-CB 3.49Å; E134-K138 WeakPolarHBondContact O-CG 3.41Å; E134-K138 PolarHBondContact O-N 3.43Å; E134-K138 WeakPolarHBondContact OE1-CE 3.49Å; E134-K138 IonicContact OE1-NZ 3.72Å; E134-K138 PolarHBondContact OE1-NZ 3.41Å; Y135-K138 PolarHBondContact O-N 3.4Å; I136-K138 VanDerWaalsContact C-N 3.29Å; I136-K138 PolarHBondContact O-N 3.31Å; K138-G140 VanDerWaalsContact C-N 3.32Å; K138-G140 PolarHBondContact O-N 2.93Å
139	M	59.7	Low	60.9	Low	132 Å²	132	99 Å²	99	65%	0.65	50%	0.496	S	S	*	.	S	Bend	trans	-85.3	1.2	-179.6	-69.6	-63.9	-63.5	0	0	114.2	Y135 I136 Y141	Y135-M139 HydrophobicContact CD1-CG 4.31Å; Y135-M139 HydrophobicContact CE1-CG 3.97Å; Y135-M139 WeakPolarHBondContact O-CG 3.47Å; Y135-M139 PolarHBondContact O-N 2.87Å; I136-M139 PolarHBondContact O-N 3.29Å; M139-Y141 PolarHBondContact O-N 2.94Å
140	G	52.9	Low	59.8	Low	48 Å²	48	100.6 Å²	100.6	50%	0.495	51%	0.507	S	S	.	.			trans	-98.9	49.7	-163	0	0	0	0	0	118.1	K138	K138-G140 VanDerWaalsContact C-N 3.32Å; K138-G140 PolarHBondContact O-N 2.93Å
141	Y	37.8	Very low	58.2	Low	182 Å²	182	100 Å²	100	71%	0.714	50%	0.5	S	S	*	.			trans	-141.5	98.9	168.5	-89.2	-78.9	0	0	0	113.3	M139 E147	M139-Y141 PolarHBondContact O-N 2.94Å; Y141-E147 WeakPolarHBondContact CE1-OE1 3.11Å
142	L	35.2	Very low	56.7	Low	183 Å²	183	102.5 Å²	102.5	96%	0.958	51%	0.511	S	S	*	.	S	Bend	trans	-176.8	36.1	138.7	-102.2	174.9	0	0	0	115.2
143	D	39.4	Very low	55.3	Low	118 Å²	118	107.3 Å²	107.3	63%	0.631	54%	0.536	S	S	*	.	S	Bend	trans	-156.6	132.7	145	-168.9	44.3	0	0	0	109.1	R145	D143-R145 PolarHBondContact O-N 3.47Å
144	P	44.9	Very low	53.8	Low	96 Å²	96	111.3 Å²	111.3	62%	0.623	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	11.6	-164.9	-23.4	35.9	0	0	0	117.8
145	R	45.7	Very low	52.1	Low	206 Å²	206	114.1 Å²	114.1	78%	0.777	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-21.5	-173.9	-79.5	-175	169.5	-114.3	-6	115.6	D143	D143-R145 PolarHBondContact O-N 3.47Å
146	N	52.4	Low	50.6	Low	106 Å²	106	115.4 Å²	115.4	57%	0.567	58%	0.579	S	S	*	*	S	Bend	trans	-92.3	-14	-177.1	-73.7	11.5	0	0	0	114.2	Q148 I149	N146-Q148 VanDerWaalsContact C-N 3.28Å; N146-Q148 PolarHBondContact O-N 3.05Å; N146-I149 PolarHBondContact O-N 3.46Å
147	E	46.5	Very low	48.8	Very low	53 Å²	53	118.5 Å²	118.5	25%	0.248	60%	0.604	C	S	.	*	H	α-helix	trans	-62.5	-33.3	-179.3	-66.3	179.3	-159.7	0	0	113.2	Y141 I149 R151	Y141-E147 WeakPolarHBondContact CE1-OE1 3.11Å; E147-I149 VanDerWaalsContact C-N 3.33Å; E147-I149 PolarHBondContact O-N 3.31Å; E147-R151 WeakPolarHBondContact O-CB 3.35Å; E147-R151 WeakPolarHBondContact O-CG 3.49Å; E147-R151 PolarHBondContact O-N 2.93Å; E147-R151 IonicContact OE2-CZ 2.65Å; E147-R151 IonicContact OE2-NH1 3.63Å; E147-R151 PolarHBondContact OE2-NH1 3.43Å; E147-R151 IonicContact OE2-NH2 3.25Å; E147-R151 PolarHBondContact OE2-NH2 3.44Å
148	Q	43.3	Very low	46.9	Very low	129 Å²	129	122 Å²	122	60%	0.603	63%	0.625	S	S	*	*	H	α-helix	trans	-65.3	-37.7	-175.4	-150.4	72.1	9.7	0	0	112	N146 V152	N146-Q148 VanDerWaalsContact C-N 3.28Å; N146-Q148 PolarHBondContact O-N 3.05Å; Q148-V152 WeakPolarHBondContact O-CG2 3.38Å; Q148-V152 PolarHBondContact O-N 2.84Å; Q148-V152 VanDerWaalsContact O-N 3.16Å
149	I	48.8	Very low	45.3	Very low	107 Å²	107	118.6 Å²	118.6	55%	0.549	63%	0.632	S	S	.	*	H	α-helix	trans	-70.4	-46	-178.1	-60	173.2	0	0	0	110.2	N146 E147 R151 V152 I153	N146-I149 PolarHBondContact O-N 3.46Å; E147-I149 VanDerWaalsContact C-N 3.33Å; E147-I149 PolarHBondContact O-N 3.31Å; I149-R151 VanDerWaalsContact C-N 3.35Å; I149-R151 PolarHBondContact O-N 2.87Å; I149-V152 PolarHBondContact O-N 2.85Å; I149-I153 HydrophobicContact CG2-CD1 4.13Å; I149-I153 WeakPolarHBondContact O-CG1 3.39Å; I149-I153 PolarHBondContact O-N 2.83Å
150	V	51.6	Low	44	Very low	76 Å²	76	122.7 Å²	122.7	46%	0.461	65%	0.646	S	S	.	*	H	α-helix	trans	-67.7	-33.8	179.5	-177.4	0	0	0	0	111.8	K154	V150-K154 PolarHBondContact O-N 3.14Å
151	R	47.7	Very low	42.9	Very low	122 Å²	122	123.5 Å²	123.5	46%	0.46	66%	0.655	S	S	.	*	H	α-helix	trans	-65	-44.8	173	-77.6	-177.7	-176.7	114	11.4	112.5	E147 I149 K154 Q155	E147-R151 WeakPolarHBondContact O-CB 3.35Å; E147-R151 WeakPolarHBondContact O-CG 3.49Å; E147-R151 PolarHBondContact O-N 2.93Å; E147-R151 IonicContact OE2-CZ 2.65Å; E147-R151 IonicContact OE2-NH1 3.63Å; E147-R151 PolarHBondContact OE2-NH1 3.43Å; E147-R151 IonicContact OE2-NH2 3.25Å; E147-R151 PolarHBondContact OE2-NH2 3.44Å; I149-R151 VanDerWaalsContact C-N 3.35Å; I149-R151 PolarHBondContact O-N 2.87Å; R151-K154 PolarHBondContact O-N 3.03Å; R151-Q155 WeakPolarHBondContact O-CG 3.46Å; R151-Q155 PolarHBondContact O-N 3.43Å
152	V	49.7	Very low	42.6	Very low	84 Å²	84	123.3 Å²	123.3	51%	0.509	67%	0.666	S	S	.	*	H	α-helix	trans	-62.6	-46.7	-179.6	168.1	0	0	0	0	111.1	Q148 I149 K154 Q155	Q148-V152 WeakPolarHBondContact O-CG2 3.38Å; Q148-V152 PolarHBondContact O-N 2.84Å; Q148-V152 VanDerWaalsContact O-N 3.16Å; I149-V152 PolarHBondContact O-N 2.85Å; V152-K154 VanDerWaalsContact C-N 3.31Å; V152-K154 PolarHBondContact O-N 2.81Å; V152-Q155 PolarHBondContact O-N 2.89Å; V152-Q155 VanDerWaalsContact O-N 3.11Å
153	I	51.5	Low	42.1	Very low	100 Å²	100	122.9 Å²	122.9	51%	0.513	66%	0.661	S	S	.	*	H	α-helix	trans	-62.5	-37.7	178.7	-64.4	169.4	0	0	0	111.5	I149 Q155 T156	I149-I153 HydrophobicContact CG2-CD1 4.13Å; I149-I153 WeakPolarHBondContact O-CG1 3.39Å; I149-I153 PolarHBondContact O-N 2.83Å; I153-Q155 VanDerWaalsContact C-N 3.26Å; I153-Q155 PolarHBondContact O-N 3.4Å; I153-T156 PolarHBondContact O-OG1 3.1Å
154	K	46.6	Very low	42.4	Very low	161 Å²	161	122.3 Å²	122.3	70%	0.7	66%	0.664	S	S	*	*	H	α-helix	trans	-72.2	-10.3	176.7	-86.4	-170.3	171.2	-178.1	0	115.2	V150 R151 V152	V150-K154 PolarHBondContact O-N 3.14Å; R151-K154 PolarHBondContact O-N 3.03Å; V152-K154 VanDerWaalsContact C-N 3.31Å; V152-K154 PolarHBondContact O-N 2.81Å
155	Q	44.1	Very low	41.7	Very low	166 Å²	166	122.1 Å²	122.1	78%	0.776	67%	0.67	S	S	*	*	H	α-helix	trans	-96.9	-7.4	178.6	-75.6	-177	-31.6	0	0	113.9	R151 V152 I153	R151-Q155 WeakPolarHBondContact O-CG 3.46Å; R151-Q155 PolarHBondContact O-N 3.43Å; V152-Q155 PolarHBondContact O-N 2.89Å; V152-Q155 VanDerWaalsContact O-N 3.11Å; I153-Q155 VanDerWaalsContact C-N 3.26Å; I153-Q155 PolarHBondContact O-N 3.4Å
156	T	45.5	Very low	41.7	Very low	106 Å²	106	117.9 Å²	117.9	65%	0.65	67%	0.669	S	S	*	*	S	Bend	trans	-114.7	37.1	-174	57.9	0	0	0	0	113.5	I153	I153-T156 PolarHBondContact O-OG1 3.1Å
157	S	38.7	Very low	40.6	Very low	96 Å²	96	119.2 Å²	119.2	67%	0.671	68%	0.681	S	S	*	*			trans	-149.5	130.2	176.8	-68.1	0	0	0	0	111.9
158	P	35	Very low	39.9	Very low	140 Å²	140	122 Å²	122	91%	0.909	70%	0.702	S	S	*	*			trans	-95.9	136.8	-170	35.2	-34	0	0	0	114.1
159	G	33.4	Very low	39.2	Very low	79 Å²	79	127.8 Å²	127.8	81%	0.814	72%	0.718	S	S	*	*			trans	168.1	129.3	167.8	0	0	0	0	0	117.7
160	K	32.7	Very low	38.1	Very low	218 Å²	218	134 Å²	134	95%	0.948	74%	0.735	S	S	*	*			trans	-53.6	159	170.4	-53	158.2	-177.6	176	0	112.6
161	G	30	Very low	37.8	Very low	66 Å²	66	135.3 Å²	135.3	68%	0.68	75%	0.745	S	S	*	*			cis	158.7	173.2	-1.6	0	0	0	0	0	112.6
162	L	31.2	Very low	36.9	Very low	178 Å²	178	134.4 Å²	134.4	93%	0.932	76%	0.757	S	S	*	*			trans	77.6	168	172.8	-73.9	98.7	0	0	0	120.6
163	M	26.4	Very low	36.1	Very low	173 Å²	173	138.6 Å²	138.6	85%	0.852	77%	0.769	S	S	*	*			trans	-155.4	-179.9	-158.6	-92.5	-77.2	158.8	0	0	107.6
164	P	45.6	Very low	35.1	Very low	107 Å²	107	142.2 Å²	142.2	70%	0.695	78%	0.784	S	S	*	*			cis	-138.1	160.7	-17.6	31.7	-10.7	0	0	0	117.1
165	A	28.5	Very low	34.3	Very low	91 Å²	91	137.3 Å²	137.3	75%	0.752	78%	0.778	S	S	*	*			trans	64.1	-168.6	138.1	0	0	0	0	0	120.4
166	P	47.3	Very low	33.6	Very low	118 Å²	118	136.4 Å²	136.4	77%	0.766	78%	0.784	S	S	*	*				-134.7	-159.1	-87.5	42.2	-24.5	0	0	0	116
167	V	29.3	Very low	32.8	Very low	133 Å²	133	135.8 Å²	135.8	81%	0.806	78%	0.784	S	S	*	*			trans	118.9	150.2	157.6	-175	0	0	0	0	117.4
168	T	30.5	Very low	32.2	Very low	113 Å²	113	137.5 Å²	137.5	69%	0.693	79%	0.786	S	S	*	*			trans	-81	160.6	-167.2	57.5	0	0	0	0	117.5
169	R	28.4	Very low	32	Very low	249 Å²	249	135.6 Å²	135.6	94%	0.94	78%	0.776	S	S	*	*				-179.5	174.6	114.1	-100.5	175.6	-174.8	-159.6	1.6	116.4
170	R	26.6	Very low	31.6	Very low	238 Å²	238	139.9 Å²	139.9	90%	0.898	77%	0.773	S	S	*	*			trans	-111.8	-174.4	177.3	-125.3	-174.3	-176.4	-173.4	3	108.1
171	P	46.3	Very low	31.4	Very low	104 Å²	104	131.5 Å²	131.5	68%	0.675	74%	0.744	S	S	*	*			cis	-138.7	-147.7	-17.7	39.3	-16.5	0	0	0	113
172	S	28.1	Very low	31.2	Very low	103 Å²	103	131.1 Å²	131.1	72%	0.72	73%	0.731	S	S	*	*			trans	82.6	152.1	153.4	-76.1	0	0	0	0	120.2
173	F	33	Very low	31.1	Very low	172 Å²	172	129.2 Å²	129.2	75%	0.754	71%	0.712	S	S	*	*			cis	-168	172.4	-23.7	-152.8	-111.2	0	0	0	110.2
174	E	30.3	Very low	31.4	Very low	176 Å²	176	128.4 Å²	128.4	82%	0.822	71%	0.706	S	S	*	*			trans	58.5	158.7	168.1	-90.8	145.1	-151.1	0	0	119.8
175	G	28.6	Very low	30.8	Very low	57 Å²	57	130 Å²	130	59%	0.588	71%	0.705	S	S	*	*			cis	164.3	141.6	-12.5	0	0	0	0	0	114.2
176	T	29.9	Very low	31	Very low	147 Å²	147	132.7 Å²	132.7	90%	0.902	71%	0.705	S	S	*	*			trans	56.6	159	160.9	44.9	0	0	0	0	120.6
177	S	28.3	Very low	30.1	Very low	93 Å²	93	132.3 Å²	132.3	65%	0.65	71%	0.706	S	S	*	*			cis	-163.7	177.5	-27.5	61	0	0	0	0	111.2
178	D	27	Very low	30	Very low	132 Å²	132	129.4 Å²	129.4	71%	0.706	70%	0.702	S	S	*	*			trans	76.9	110.8	151.7	-74.9	-68.4	0	0	0	126
179	S	29.6	Very low	30	Very low	101 Å²	101	128.5 Å²	128.5	71%	0.706	71%	0.706	S	S	*	*				89.8	153.9	116.1	-69.4	0	0	0	0	125.4
180	F	26	Very low	31.5	Very low	168 Å²	168	122.1 Å²	122.1	74%	0.737	70%	0.697	S	S	*	*			trans	-70.3	173.6	-171.5	-63.1	-83.2	0	0	0	115.9	L37	L37-F180 HydrophobicContact CB-CD1 4.05Å; L37-F180 HydrophobicContact CB-CE1 4.36Å; L37-F180 HydrophobicContact CD1-CD1 3.88Å; L37-F180 HydrophobicContact CD1-CE1 3.44Å; L37-F180 VanDerWaalsContact CD1-CE1 3.44Å; L37-F180 HydrophobicContact CD1-CZ 3.84Å; L37-F180 HydrophobicContact CG-CD1 4Å; L37-F180 HydrophobicContact CG-CE1 3.78Å
181	A	27.6	Very low	31.6	Very low	42 Å²	42	119.7 Å²	119.7	35%	0.347	69%	0.689	S	S	.	*			cis	-169.5	167.1	-18.7	0	0	0	0	0	108.1	L37	L37-A181 HydrophobicContact CB-CB 4.46Å; L37-A181 WeakPolarHBondContact O-CB 3.19Å
182	S	27.7	Very low	30.8	Very low	58 Å²	58	122.5 Å²	122.5	41%	0.406	69%	0.693	S	S	.	*				166	146.2	93.2	-62.4	0	0	0	0	113.6
183	Y	28.7	Very low	30.8	Very low	138 Å²	138	120.9 Å²	120.9	54%	0.541	69%	0.693	S	S	.	*			trans	45.5	143.5	141.9	-87	-96.2	0	0	0	128	P38	P38-Y183 VanDerWaalsContact CD-CE2 3.47Å
184	H	32.6	Very low	31.7	Very low	157 Å²	157	118.9 Å²	118.9	73%	0.727	70%	0.697	S	S	*	*			trans	62.5	171.4	157.6	-70.3	-64.9	0	0	0	121
185	Q	32.2	Very low	31.9	Very low	141 Å²	141	115.6 Å²	115.6	66%	0.659	69%	0.694	S	S	*	*				-174.2	157.5	-59.7	-145.9	-175	-32.4	0	0	110.4
186	L	32.6	Very low	31.9	Very low	147 Å²	147	123.2 Å²	123.2	77%	0.77	71%	0.711	S	S	*	*			trans	66	163.1	161	-70	161.3	0	0	0	116.6
187	S	28	Very low	31.9	Very low	110 Å²	110	119.6 Å²	119.6	77%	0.769	70%	0.703	S	S	*	*			cis	-166.9	164.8	-23.7	-173.5	0	0	0	0	111.8
188	G	27.4	Very low	32.1	Very low	71 Å²	71	119.5 Å²	119.5	73%	0.732	71%	0.708	S	S	*	*			trans	80.1	170.4	160.9	0	0	0	0	0	117.6
189	A	32.1	Very low	32.1	Very low	95 Å²	95	121.1 Å²	121.1	79%	0.785	72%	0.717	S	S	*	*			cis	-177	-164.9	-20.1	0	0	0	0	0	106.7
190	P	58	Low	32.2	Very low	115 Å²	115	119.6 Å²	119.6	75%	0.747	72%	0.717	S	S	*	*			cis	-130.4	-171.2	-28.3	35.9	-16.3	0	0	0	113.6
191	Y	30.4	Very low	33.4	Very low	187 Å²	187	118.1 Å²	118.1	73%	0.733	72%	0.724	S	S	*	*				142.3	127.9	116	-141.4	-112.4	0	0	0	119.2
192	E	28.8	Very low	33.7	Very low	162 Å²	162	120.8 Å²	120.8	76%	0.757	75%	0.746	S	S	*	*			trans	55.4	164.7	159.3	-87.9	-179.5	-164.9	0	0	127.2
193	G	29	Very low	34	Very low	69 Å²	69	122.3 Å²	122.3	71%	0.711	76%	0.762	S	S	*	*			trans	-121.7	-135.8	-169.5	0	0	0	0	0	114.3
194	P	51.3	Low	34	Very low	131 Å²	131	122.7 Å²	122.7	85%	0.851	77%	0.772	S	S	*	*			cis	-137.6	-175.7	13.9	44.1	-25.7	0	0	0	118.1
195	S	33.3	Very low	33.7	Very low	106 Å²	106	122.5 Å²	122.5	74%	0.741	77%	0.772	S	S	*	*			trans	-15.3	151.7	169.4	-48.1	0	0	0	0	125
196	F	28.4	Very low	33.4	Very low	217 Å²	217	124.6 Å²	124.6	95%	0.952	78%	0.782	S	S	*	*				-168.2	161.3	107.9	-113.7	-77.8	0	0	0	113.2
197	G	30.4	Very low	33.2	Very low	71 Å²	71	123.7 Å²	123.7	73%	0.732	78%	0.782	S	S	*	*			trans	-179.6	174.1	177.4	0	0	0	0	0	115
198	A	33.5	Very low	34.3	Very low	91 Å²	91	123.9 Å²	123.9	75%	0.752	78%	0.781	S	S	*	*			trans	-164.2	157.7	177.9	0	0	0	0	0	108.8
199	D	27.1	Very low	34.7	Very low	167 Å²	167	131.9 Å²	131.9	89%	0.893	79%	0.789	S	S	*	*			cis	-138.3	174.9	9.2	-86	-59	0	0	0	112
200	G	31	Very low	35.3	Very low	69 Å²	69	133.6 Å²	133.6	71%	0.711	79%	0.792	S	S	*	*			trans	-142.4	-148.4	173.9	0	0	0	0	0	112
201	P	52.3	Low	33.8	Very low	137 Å²	137	138.7 Å²	138.7	89%	0.89	80%	0.798	S	S	*	*			cis	-137.5	-153.8	-4.3	43.1	-22.9	0	0	0	114.7
202	A	33.8	Very low	34.1	Very low	97 Å²	97	135 Å²	135	80%	0.802	79%	0.794	S	S	*	*			trans	-80.8	-169.6	-174.1	0	0	0	0	0	114.8
203	A	32.9	Very low	34	Very low	90 Å²	90	134.8 Å²	134.8	74%	0.744	80%	0.798	S	S	*	*			cis	-155	-148.4	20.6	0	0	0	0	0	111.6
204	L	28	Very low	34.2	Very low	146 Å²	146	140.9 Å²	140.9	76%	0.764	80%	0.802	S	S	*	*			cis	-159.6	-173.1	10.6	-130.4	-169.5	0	0	0	112.6
205	E	27.2	Very low	33.1	Very low	153 Å²	153	142.8 Å²	142.8	72%	0.715	80%	0.804	S	S	*	*			trans	-12.3	123.3	171.3	-87.5	150.8	-165.9	0	0	125.6
206	E	26.9	Very low	32.9	Very low	186 Å²	186	146.1 Å²	146.1	87%	0.869	81%	0.805	S	S	*	*				54.5	179	105.8	-120.9	-172.2	-154.2	0	0	126.5
207	V	27.8	Very low	33.8	Very low	128 Å²	128	141.9 Å²	141.9	78%	0.776	80%	0.799	S	S	*	*			trans	73.5	163.1	177.6	-111.2	0	0	0	0	118.3
208	P	50.2	Low	33.8	Very low	114 Å²	114	141.3 Å²	141.3	74%	0.74	79%	0.794	S	S	*	*				-129.5	-174.5	-110.6	45.2	-28.6	0	0	0	117.9
209	R	35.5	Very low	33.5	Very low	239 Å²	239	144.3 Å²	144.3	90%	0.902	80%	0.802	S	S	*	*			trans	-61.6	156	174.7	-68.4	-177.8	171.4	-177.5	-3.3	114.2
210	P	44.6	Very low	33.5	Very low	131 Å²	131	139.3 Å²	139.3	85%	0.851	79%	0.79	S	S	*	*				-135.9	-143.4	104.4	40.4	-28.9	0	0	0	115.3
211	Y	27.3	Very low	34.7	Very low	221 Å²	221	141.3 Å²	141.3	87%	0.867	79%	0.791	S	S	*	*			trans	-95.3	-173.3	-147.9	-157.2	-113.3	0	0	0	116.3
212	V	37.4	Very low	33.6	Very low	109 Å²	109	143.8 Å²	143.8	66%	0.661	79%	0.79	S	S	*	*			trans	-95.2	159.9	-169.6	-66.8	0	0	0	0	115.4
213	D	25.4	Very low	33.3	Very low	158 Å²	158	142.5 Å²	142.5	85%	0.845	79%	0.786	S	S	*	*			trans	-158	173.9	137.5	-133.6	-35.5	0	0	0	114.1
214	Y	34.3	Very low	34.2	Very low	198 Å²	198	143.8 Å²	143.8	78%	0.776	79%	0.787	S	S	*	*			trans	-86.7	159.7	-169.8	-96.8	-102	0	0	0	116.9
215	L	27.6	Very low	34.3	Very low	171 Å²	171	139.8 Å²	139.8	90%	0.895	78%	0.781	S	S	*	*				-179.9	162.6	125.8	-97.6	164.3	0	0	0	115.6
216	F	30.1	Very low	34.6	Very low	176 Å²	176	140.4 Å²	140.4	77%	0.772	78%	0.783	S	S	*	*			trans	-103.4	-175.7	175.2	-97.8	-77	0	0	0	110.1
217	P	46.9	Very low	34.6	Very low	128 Å²	128	140 Å²	140	83%	0.831	78%	0.781	S	S	*	*			cis	-142.4	176	21	43.3	-23	0	0	0	119.3
218	G	29.3	Very low	34.6	Very low	59 Å²	59	142.2 Å²	142.2	61%	0.608	78%	0.783	S	S	*	*			trans	144.5	162.9	168	0	0	0	0	0	113.6
219	V	27.9	Very low	33.5	Very low	153 Å²	153	144.5 Å²	144.5	93%	0.927	78%	0.784	S	S	*	*			cis	-151.7	173.8	-14.7	-163.1	0	0	0	0	107.4
220	G	27.4	Very low	33.2	Very low	63 Å²	63	139.8 Å²	139.8	65%	0.649	77%	0.772	S	S	*	*			trans	-145.7	-165.3	173.9	0	0	0	0	0	113.2
221	P	56.5	Low	32.2	Very low	111 Å²	111	141 Å²	141	72%	0.721	77%	0.766	S	S	*	*			cis	-145.2	179.3	20.9	40.9	-20.3	0	0	0	119.1
222	H	28.3	Very low	32.1	Very low	189 Å²	189	139.2 Å²	139.2	88%	0.875	77%	0.765	S	S	*	*			trans	82.2	135.3	159.3	-59.8	-52.7	0	0	0	121.8
223	G	27	Very low	33	Very low	69 Å²	69	139 Å²	139	71%	0.711	77%	0.766	S	S	*	*			trans	-144	-130.9	179	0	0	0	0	0	110.1
224	P	52.6	Low	34.3	Very low	118 Å²	118	136.5 Å²	136.5	77%	0.766	76%	0.758	S	S	*	*			cis	-90.5	-132.9	7.9	40.6	-38.4	0	0	0	111.3	H226	P224-H226 WeakPolarHBondContact CB-NE2 3.18Å
225	G	30.2	Very low	34.1	Very low	62 Å²	62	136.6 Å²	136.6	64%	0.639	76%	0.763	S	S	*	*			cis	156.1	177.1	6	0	0	0	0	0	109.2
226	H	33.9	Very low	34.1	Very low	165 Å²	165	131.9 Å²	131.9	76%	0.764	76%	0.755	S	S	*	*			cis	-165.2	174	-22.9	-78	-47	0	0	0	105.4	P224	P224-H226 WeakPolarHBondContact CB-NE2 3.18Å
227	Q	25.8	Very low	34	Very low	178 Å²	178	134.8 Å²	134.8	83%	0.832	76%	0.763	S	S	*	*			cis	-150.2	-149.4	6.5	-150.3	169.6	-25.5	0	0	109.5
228	H	29	Very low	33.2	Very low	174 Å²	174	131.9 Å²	131.9	81%	0.806	76%	0.757	S	S	*	*			trans	-149.1	154.2	-179.3	-71.4	-50.3	0	0	0	112.4
229	Q	27.5	Very low	33.2	Very low	162 Å²	162	134.6 Å²	134.6	76%	0.757	77%	0.773	S	S	*	*				168.3	134.2	102.4	-89.2	-165.4	-19.1	0	0	116.8
230	H	28.4	Very low	33.2	Very low	141 Å²	141	130.7 Å²	130.7	65%	0.653	76%	0.764	S	S	*	*			trans	65.2	136.9	133.7	-71.9	-42.3	0	0	0	128.2
231	Q	23.3	Very low	33.3	Very low	155 Å²	155	134.9 Å²	134.9	72%	0.724	78%	0.777	S	S	*	*			trans	85.2	99.6	131.4	-75.3	170.3	45.2	0	0	123.9
232	H	25.1	Very low	32	Very low	185 Å²	185	138.7 Å²	138.7	86%	0.856	79%	0.785	S	S	*	*				66.5	164.7	110	-81.7	-48.8	0	0	0	123.3
233	P	56.6	Low	31.9	Very low	105 Å²	105	134.9 Å²	134.9	68%	0.682	79%	0.786	S	S	*	*			trans	-109.2	-152.2	-149.5	47.4	-40.1	0	0	0	113
234	P	52	Low	32	Very low	105 Å²	105	136.8 Å²	136.8	68%	0.682	80%	0.795	S	S	*	*			cis	-147.8	-167.8	3.3	38.1	-13.3	0	0	0	119.4
235	K	30.3	Very low	30.8	Very low	199 Å²	199	134.7 Å²	134.7	87%	0.865	80%	0.795	S	S	*	*			trans	91.1	138.2	153.7	-71	173	-179.7	178.7	0	120.4
236	G	27.5	Very low	30.8	Very low	72 Å²	72	136.2 Å²	136.2	74%	0.742	80%	0.802	S	S	*	*			trans	-178.6	149	168.5	0	0	0	0	0	109.9
237	Y	28.5	Very low	30.5	Very low	237 Å²	237	136.4 Å²	136.4	93%	0.929	80%	0.803	S	S	*	*			trans	-134.1	144	-168	-101	-100.9	0	0	0	113.5
238	G	30.4	Very low	30.6	Very low	68 Å²	68	137.3 Å²	137.3	70%	0.701	80%	0.804	S	S	*	*				95.3	118.7	111.1	0	0	0	0	0	123
239	A	30	Very low	31.6	Very low	115 Å²	115	133.8 Å²	133.8	95%	0.95	80%	0.797	S	S	*	*			trans	69.8	158.4	133.7	0	0	0	0	0	122.1
240	G	27.9	Very low	31.5	Very low	71 Å²	71	133 Å²	133	73%	0.732	80%	0.797	S	S	*	*			trans	-163.8	-33.7	-178.2	0	0	0	0	0	123.3
241	V	27.8	Very low	31.5	Very low	152 Å²	152	135.2 Å²	135.2	92%	0.921	81%	0.807	S	S	*	*			trans	69.2	150.6	168.4	179.4	0	0	0	0	119.3
242	E	29.1	Very low	31.6	Very low	190 Å²	190	130.7 Å²	130.7	89%	0.888	80%	0.802	S	S	*	*			trans	-100.3	163.4	175.5	-54.1	168.5	102.7	0	0	113.3
243	A	28	Very low	31.9	Very low	109 Å²	109	127.8 Å²	127.8	90%	0.901	80%	0.798	S	S	*	*			trans	-157.5	155.3	155.7	0	0	0	0	0	113.2
244	A	29.1	Very low	30.7	Very low	109 Å²	109	129.5 Å²	129.5	90%	0.901	80%	0.796	S	S	*	*			trans	-109.4	175.9	-168.6	0	0	0	0	0	115
245	G	26.5	Very low	29.7	Very low	74 Å²	74	134.4 Å²	134.4	76%	0.763	80%	0.803	S	S	*	*			trans	136.9	104.5	137.9	0	0	0	0	0	121.5
246	A	29.4	Very low	29.5	Very low	95 Å²	95	128.3 Å²	128.3	79%	0.785	80%	0.797	S	S	*	*			trans	61.8	115.9	136.6	0	0	0	0	0	125
247	H	27.4	Very low	29.6	Very low	169 Å²	169	136.3 Å²	136.3	78%	0.782	80%	0.804	S	S	*	*			trans	32.5	132.3	133.5	-66.4	-82.8	0	0	0	124.4
248	F	28.6	Very low	30.6	Very low	197 Å²	197	129.3 Å²	129.3	86%	0.864	79%	0.788	S	S	*	*				-177.6	177.6	105.2	-99.1	-60.9	0	0	0	110.7
249	P	49.2	Very low	30.5	Very low	100 Å²	100	133.5 Å²	133.5	65%	0.649	79%	0.789	S	S	*	*			trans	-136.8	-164.7	-136.8	44.8	-24.3	0	0	0	118
250	L	26.7	Very low	30.5	Very low	146 Å²	146	134.3 Å²	134.3	76%	0.764	78%	0.776	S	S	*	*			trans	86	141	157.2	-74.6	162.9	0	0	0	121.1
251	Q	28.1	Very low	30.6	Very low	186 Å²	186	138.1 Å²	138.1	87%	0.869	78%	0.779	S	S	*	*			trans	50	140.3	152	-67.4	170.2	-18	0	0	119
252	G	26.2	Very low	30.6	Very low	60 Å²	60	136.5 Å²	136.5	62%	0.619	77%	0.769	S	S	*	*			cis	146.1	135.4	18	0	0	0	0	0	110.2
253	T	30.9	Very low	30.6	Very low	125 Å²	125	136.3 Å²	136.3	77%	0.767	77%	0.768	S	S	*	*			trans	67.8	121.6	146	48.3	0	0	0	0	124.2
254	H	30.1	Very low	30.5	Very low	140 Å²	140	134.9 Å²	134.9	65%	0.648	76%	0.764	S	S	*	*				94.4	129.2	121.8	-78.6	-44.6	0	0	0	124.7
255	Y	31.2	Very low	30.6	Very low	209 Å²	209	138.6 Å²	138.6	82%	0.82	76%	0.763	S	S	*	*			trans	58.7	151.7	152.8	-55.1	-57.5	0	0	0	119.7
256	G	26.1	Very low	31.5	Very low	71 Å²	71	140.8 Å²	140.8	73%	0.732	76%	0.763	S	S	*	*			cis	-173.3	174.2	-2.1	0	0	0	0	0	114.4
257	R	30.6	Very low	31.6	Very low	240 Å²	240	143.9 Å²	143.9	91%	0.906	77%	0.766	S	S	*	*			trans	-74.8	174.9	168.8	-123.4	-165.6	169.7	-165.5	-0.8	110.2
258	P	48.8	Very low	31.7	Very low	89 Å²	89	139.1 Å²	139.1	58%	0.578	76%	0.762	S	S	*	*			cis	-154.1	-175.9	42.5	39.8	-15.5	0	0	0	119.4
259	H	28.3	Very low	31.9	Very low	156 Å²	156	140.5 Å²	140.5	72%	0.722	76%	0.764	S	S	*	*			trans	68.5	155.9	154.6	-60.5	-40.4	0	0	0	120.5
260	L	31.2	Very low	30.9	Very low	132 Å²	132	139.3 Å²	139.3	69%	0.691	77%	0.769	S	S	*	*			cis	-166.9	160.4	-21.5	-110.8	168.4	0	0	0	110.5
261	L	29.1	Very low	31.2	Very low	151 Å²	151	137.7 Å²	137.7	79%	0.791	77%	0.765	S	S	*	*			trans	65	159.1	159.6	-65.1	161.4	0	0	0	118.3
262	V	28.3	Very low	31.2	Very low	118 Å²	118	136 Å²	136	72%	0.715	76%	0.757	S	S	*	*			cis	-158.6	167.1	-39.3	103.4	0	0	0	0	110.6
263	H	28	Very low	31.3	Very low	187 Å²	187	143.3 Å²	143.3	87%	0.866	77%	0.766	S	S	*	*			trans	-12.7	146.1	176.5	-74.6	-88.7	0	0	0	123
264	G	26.4	Very low	31.5	Very low	79 Å²	79	141.9 Å²	141.9	81%	0.814	76%	0.762	S	S	*	*			trans	171.4	118.3	148.6	0	0	0	0	0	117.1
265	E	31.9	Very low	32.5	Very low	187 Å²	187	140.5 Å²	140.5	87%	0.874	77%	0.765	S	S	*	*			trans	-108.2	149	156	-99.6	-157.8	163.1	0	0	108.2
266	P	44.1	Very low	32.8	Very low	119 Å²	119	135.7 Å²	135.7	77%	0.773	76%	0.762	S	S	*	*				-155.3	-168.1	91.3	41.1	-20.1	0	0	0	116.7
267	L	33.3	Very low	33	Very low	160 Å²	160	140.6 Å²	140.6	84%	0.838	76%	0.763	S	S	*	*			trans	-59.9	164.6	178.5	-53.1	76.9	0	0	0	114.2
268	G	29.8	Very low	33.3	Very low	69 Å²	69	136.3 Å²	136.3	71%	0.711	75%	0.754	S	S	*	*			cis	160.7	-171.1	-2.6	0	0	0	0	0	113.8
269	Y	31.1	Very low	32.6	Very low	227 Å²	227	135.1 Å²	135.1	89%	0.89	76%	0.758	S	S	*	*			trans	79	141	170.1	-83.7	-89.3	0	0	0	122	V271	Y269-V271 HydrophobicContact CD1-CG2 4.29Å
270	G	28	Very low	32.7	Very low	74 Å²	74	137.8 Å²	137.8	76%	0.763	77%	0.767	S	S	*	*			trans	172.2	9.8	179.6	0	0	0	0	0	121.4
271	V	33.7	Very low	32.7	Very low	113 Å²	113	138 Å²	138	69%	0.685	77%	0.774	S	S	*	*			trans	43.1	113.1	144.4	-176	0	0	0	0	121.9	Y269	Y269-V271 HydrophobicContact CD1-CG2 4.29Å
272	Q	29.1	Very low	33.3	Very low	151 Å²	151	136.7 Å²	136.7	71%	0.706	77%	0.774	S	S	*	*			trans	176.9	159.8	131.6	-103.5	168.3	109.3	0	0	110.4
273	R	28.6	Very low	34.5	Very low	212 Å²	212	136.6 Å²	136.6	80%	0.8	78%	0.776	S	S	*	*			cis	-145.6	-159.9	-9.9	-155.3	179.8	-101.6	-124.8	-3.3	108.5
274	S	34.5	Very low	34.7	Very low	96 Å²	96	136.1 Å²	136.1	67%	0.671	77%	0.774	S	S	*	*			trans	-157.4	-167.6	178.8	67.3	0	0	0	0	109.1
275	P	50.9	Low	34.9	Very low	111 Å²	111	139.1 Å²	139.1	72%	0.721	78%	0.777	S	S	*	*			cis	-77.3	-163.9	16.8	36.4	-40.3	0	0	0	113.1
276	S	36.8	Very low	34.7	Very low	108 Å²	108	134.2 Å²	134.2	76%	0.755	78%	0.777	S	S	*	*			cis	-160.2	161.1	14	-8.6	0	0	0	0	110.3
277	F	31	Very low	33.9	Very low	173 Å²	173	132.4 Å²	132.4	76%	0.759	78%	0.78	S	S	*	*			cis	-151.2	-92.7	-12.7	179.1	-118.4	0	0	0	111.3
278	Q	37.3	Very low	33.6	Very low	151 Å²	151	136.6 Å²	136.6	71%	0.706	79%	0.786	S	S	*	*			trans	-155	158.7	-173.2	-62.4	-177	-11.3	0	0	109.7
279	G	34.1	Very low	33.6	Very low	64 Å²	64	137.5 Å²	137.5	66%	0.66	79%	0.787	S	S	*	*			cis	111.9	123.7	-4.3	0	0	0	0	0	114.9
280	K	28.7	Very low	33.4	Very low	212 Å²	212	132.7 Å²	132.7	92%	0.922	79%	0.786	S	S	*	*			trans	-144.1	149.9	159.5	-82	-159.8	174.7	-176	0	111.7
281	T	31.4	Very low	33.5	Very low	135 Å²	135	137 Å²	137	83%	0.828	79%	0.791	S	S	*	*			trans	-138.8	165.6	-165.9	49.3	0	0	0	0	112.1
282	P	42.3	Very low	34.3	Very low	124 Å²	124	136.5 Å²	136.5	81%	0.805	79%	0.79	S	S	*	*			trans	-108	158.1	167.9	38.8	-31	0	0	0	113.4
283	P	53.4	Low	34.6	Very low	117 Å²	117	135.1 Å²	135.1	76%	0.76	79%	0.792	S	S	*	*			trans	-124.3	137.1	170.7	38.1	-25.8	0	0	0	116.2
284	E	31.6	Very low	34.7	Very low	176 Å²	176	135 Å²	135	82%	0.822	80%	0.797	S	S	*	*			trans	37.7	162.4	134.7	-53.9	-160.6	143.9	0	0	126.7
285	T	31.4	Very low	34.6	Very low	142 Å²	142	134.1 Å²	134.1	87%	0.871	80%	0.804	S	S	*	*			trans	93.7	141.7	158.7	69.8	0	0	0	0	118.9
286	G	28.5	Very low	33.8	Very low	85 Å²	85	138 Å²	138	88%	0.876	81%	0.813	S	S	*	*			trans	-120.7	-166.8	-164.4	0	0	0	0	0	115.5
287	G	26.1	Very low	33.5	Very low	80 Å²	80	136.1 Å²	136.1	83%	0.825	81%	0.809	S	S	*	*			trans	-164.8	159.1	-177.9	0	0	0	0	0	113.2
288	Y	27.2	Very low	33.6	Very low	248 Å²	248	131.5 Å²	131.5	97%	0.973	81%	0.811	S	S	*	*			trans	-102.9	168.9	-170	-111.2	-103.5	0	0	0	114.4
289	A	29.7	Very low	34.7	Very low	88 Å²	88	130.3 Å²	130.3	73%	0.727	82%	0.817	S	S	*	*			trans	-77.5	165.5	-170.2	0	0	0	0	0	116.5
290	S	27.1	Very low	35.7	Very low	126 Å²	126	133.4 Å²	133.4	88%	0.881	83%	0.825	S	S	*	*			trans	-161.6	151.5	145.3	-83.6	0	0	0	0	113.6
291	L	30.1	Very low	35.9	Very low	165 Å²	165	126.6 Å²	126.6	86%	0.864	82%	0.815	S	S	*	*			trans	-99.8	-173.7	173.8	-94.1	167	0	0	0	109
292	P	51	Low	36	Very low	102 Å²	102	125.6 Å²	125.6	66%	0.662	82%	0.82	S	S	*	*			cis	-155.6	169.8	27.8	45.4	-22.9	0	0	0	122.1
293	T	35.7	Very low	35.6	Very low	122 Å²	122	122.8 Å²	122.8	75%	0.748	81%	0.814	S	S	*	*			trans	51.4	124	141.9	55	0	0	0	0	124.3
294	K	30.3	Very low	34.7	Very low	209 Å²	209	125.1 Å²	125.1	91%	0.909	82%	0.819	S	S	*	*				-158.8	143.2	88.6	-88.8	174.8	178.5	179.3	0	106.4
295	G	32.8	Very low	34.5	Very low	78 Å²	78	120.9 Å²	120.9	80%	0.804	81%	0.814	S	S	*	*			cis	109.2	137.7	31.8	0	0	0	0	0	108.4
296	Q	34.6	Very low	34.5	Very low	194 Å²	194	123.1 Å²	123.1	91%	0.907	81%	0.812	S	S	*	*			cis	-168.5	153.4	-9.1	171.3	178	-16.5	0	0	106.8
297	G	29.3	Very low	35.6	Very low	67 Å²	67	124.4 Å²	124.4	69%	0.691	81%	0.805	S	S	*	*			cis	131	110.5	-4	0	0	0	0	0	113.2
298	G	32.2	Very low	37.3	Very low	77 Å²	77	125.9 Å²	125.9	79%	0.794	80%	0.8	S	S	*	*			trans	-170.9	162.8	177	0	0	0	0	0	116
299	P	62.3	Low	38.6	Very low	126 Å²	126	119.1 Å²	119.1	82%	0.818	79%	0.787	S	S	*	*			trans	-129.7	-148.1	-159.4	44.8	-26	0	0	0	111.9
300	P	54.4	Low	38.8	Very low	128 Å²	128	121.4 Å²	121.4	83%	0.831	79%	0.791	S	S	*	*			cis	-125.6	-167.6	-19.1	38.6	-19.5	0	0	0	112.5
301	G	33.4	Very low	39.2	Very low	69 Å²	69	119.8 Å²	119.8	71%	0.711	79%	0.786	S	S	*	*			cis	146.8	136.5	-14.6	0	0	0	0	0	115.1
302	A	33.8	Very low	39.2	Very low	114 Å²	114	115.3 Å²	115.3	94%	0.942	78%	0.779	S	S	*	*			trans	63.7	156.3	167.3	0	0	0	0	0	119.9
303	G	32.1	Very low	38.2	Very low	65 Å²	65	117.6 Å²	117.6	67%	0.67	79%	0.785	S	S	*	*			cis	154.1	174.3	-11.9	0	0	0	0	0	115.6
304	L	35.8	Very low	38	Very low	166 Å²	166	121.1 Å²	121.1	87%	0.869	79%	0.786	S	S	*	*			trans	78.9	149.7	167.7	-47.2	174.6	0	0	0	116.9
305	A	27.1	Very low	38	Very low	87 Å²	87	116.5 Å²	116.5	72%	0.719	78%	0.775	S	S	*	*			cis	-150.9	133.8	5.7	0	0	0	0	0	114.9
306	F	31	Very low	38.8	Very low	189 Å²	189	117.7 Å²	117.7	83%	0.829	77%	0.769	S	S	*	*				30.2	158.9	112.1	-81.4	-64.6	0	0	0	123.2
307	P	51.7	Low	38.8	Very low	112 Å²	112	115.7 Å²	115.7	73%	0.727	76%	0.759	S	S	*	*			cis	-136.3	-143.2	-3.2	49.4	-29.4	0	0	0	114.2
308	P	62.8	Low	39.6	Very low	112 Å²	112	118.4 Å²	118.4	73%	0.727	77%	0.765	S	S	*	*			trans	-131.7	-147.6	-137.4	42.2	-13.6	0	0	0	113
309	P	53.5	Low	39.6	Very low	106 Å²	106	122.2 Å²	122.2	69%	0.688	76%	0.762	S	S	*	*			cis	-142.6	153	49.8	41.6	-22	0	0	0	118.4
310	T	33.1	Very low	38.2	Very low	135 Å²	135	123.7 Å²	123.7	83%	0.828	76%	0.757	S	S	*	*			trans	37.7	152.5	143.1	59.5	0	0	0	0	123.4
311	A	35.8	Very low	36.9	Very low	93 Å²	93	124.8 Å²	124.8	77%	0.769	75%	0.749	S	S	*	*			cis	177.8	159.3	-18.7	0	0	0	0	0	105.9
312	G	30.7	Very low	36.8	Very low	70 Å²	70	130 Å²	130	72%	0.722	76%	0.755	S	S	*	*			cis	-176.7	-164.1	5.8	0	0	0	0	0	107.5
313	L	30.9	Very low	36.4	Very low	151 Å²	151	129.7 Å²	129.7	79%	0.791	75%	0.752	S	S	*	*			cis	-177.4	151.4	-6.1	-92.3	144.4	0	0	0	104.9
314	Y	30.1	Very low	36.4	Very low	195 Å²	195	129.9 Å²	129.9	77%	0.765	76%	0.755	S	S	*	*			cis	-165.1	128.6	-17.5	-136.3	-139	0	0	0	106.6
315	V	30.3	Very low	36.9	Very low	112 Å²	112	127.5 Å²	127.5	68%	0.679	75%	0.749	S	S	*	*				82.4	149.7	96.9	167.6	0	0	0	0	116.2
316	P	49.1	Very low	36.9	Very low	104 Å²	104	130 Å²	130	68%	0.675	76%	0.755	S	S	*	*			trans	-128.3	-177.3	-165.4	43.9	-28.3	0	0	0	117.5
317	H	35.2	Very low	36.9	Very low	152 Å²	152	125.2 Å²	125.2	70%	0.704	75%	0.751	S	S	*	*			trans	73	154	161.6	-88.9	68.7	0	0	0	117.6
318	P	46.4	Very low	35.8	Very low	124 Å²	124	127.7 Å²	127.7	81%	0.805	75%	0.753	S	S	*	*				-147.3	-167.9	60.4	40.9	-18.3	0	0	0	118.2
319	H	31.7	Very low	34.1	Very low	156 Å²	156	128.4 Å²	128.4	72%	0.722	75%	0.746	S	S	*	*			trans	-100.5	172.5	-173.6	-47.2	-92.9	0	0	0	115.2
320	H	32.8	Very low	32.9	Very low	158 Å²	158	132 Å²	132	73%	0.731	76%	0.759	S	S	*	*				178.1	152.9	102.6	-135.8	34.3	0	0	0	118.5
321	K	28.7	Very low	32.6	Very low	151 Å²	151	134.3 Å²	134.3	66%	0.657	76%	0.759	S	S	*	*			trans	67.8	113.4	149.6	-87.9	173.2	-176.6	158.5	0	126.7
322	Q	29.8	Very low	32.2	Very low	177 Å²	177	136.2 Å²	136.2	83%	0.827	76%	0.761	S	S	*	*				59	115.5	124.5	-73.1	178.9	-34.9	0	0	124
323	A	26.3	Very low	32	Very low	108 Å²	108	141.3 Å²	141.3	89%	0.893	77%	0.771	S	S	*	*				-170	157.9	125.5	0	0	0	0	0	112
324	G	32.4	Very low	31.8	Very low	70 Å²	70	137.3 Å²	137.3	72%	0.722	77%	0.766	S	S	*	*			trans	-114.5	-175.8	159.5	0	0	0	0	0	110.1
325	P	45.2	Very low	31.8	Very low	116 Å²	116	134 Å²	134	75%	0.753	77%	0.772	S	S	*	*			cis	-146.8	-152.9	30.3	42.4	-20.5	0	0	0	115.1
326	T	27.5	Very low	31.6	Very low	138 Å²	138	140 Å²	140	85%	0.847	78%	0.782	S	S	*	*			trans	73.8	160.8	159.2	46	0	0	0	0	120.1
327	A	30	Very low	30.6	Very low	89 Å²	89	140 Å²	140	74%	0.736	79%	0.785	S	S	*	*			trans	-145.1	143.4	-171.5	0	0	0	0	0	112.5
328	H	29.9	Very low	30.1	Very low	165 Å²	165	141.6 Å²	141.6	76%	0.764	79%	0.792	S	S	*	*			trans	-139.6	138.3	161.9	-78.2	-76.8	0	0	0	107.3
329	Q	26	Very low	29.2	Very low	127 Å²	127	141.8 Å²	141.8	59%	0.593	79%	0.791	S	S	*	*			cis	72.1	89.6	49.4	-167.9	-169.9	24.1	0	0	112	H331	Q329-H331 PolarHBondContact NE2-NE2 3.29Å
330	L	28.7	Very low	28.9	Very low	181 Å²	181	143.9 Å²	143.9	95%	0.948	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-97.2	128.8	164.1	-74.6	174.6	0	0	0	109.6
331	H	26.8	Very low	28.6	Very low	183 Å²	183	140.8 Å²	140.8	85%	0.847	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-90.1	157.8	-176.7	-109	-94.1	0	0	0	112.7	Q329	Q329-H331 PolarHBondContact NE2-NE2 3.29Å
332	V	28.1	Very low	28.5	Very low	134 Å²	134	137.2 Å²	137.2	81%	0.812	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-75.1	130.9	170.8	174.9	0	0	0	0	109.2
333	L	26.8	Very low	28.3	Very low	176 Å²	176	135.7 Å²	135.7	92%	0.921	80%	0.804	S	S	*	*			trans	-109.3	127.4	160.9	-107.1	164.1	0	0	0	108.5
334	G	25.2	Very low	28.3	Very low	67 Å²	67	135.3 Å²	135.3	69%	0.691	79%	0.794	S	S	*	*			trans	-127.7	148.2	177.9	0	0	0	0	0	111.2
335	S	30.1	Very low	29.1	Very low	126 Å²	126	137.7 Å²	137.7	88%	0.881	80%	0.797	S	S	*	*			trans	-137.8	154.2	173.9	56.3	0	0	0	0	110.1
336	R	26.1	Very low	28.7	Very low	239 Å²	239	137.6 Å²	137.6	90%	0.902	80%	0.797	S	S	*	*			trans	-159.3	161.1	-173.8	-143.3	-178.8	-173.8	-152	0.5	110.6
337	S	28.3	Very low	28.7	Very low	103 Å²	103	140.1 Å²	140.1	72%	0.72	80%	0.799	S	S	*	*			trans	77.3	145.9	177.2	-49.1	0	0	0	0	114.5
338	Q	26	Very low	28.5	Very low	186 Å²	186	140.3 Å²	140.3	87%	0.869	80%	0.795	S	S	*	*			cis	-154.4	-168	-6.5	-125.2	167	-19.5	0	0	111.7
339	V	26.6	Very low	28.4	Very low	128 Å²	128	139.8 Å²	139.8	78%	0.776	80%	0.797	S	S	*	*			trans	-140	141.6	-163.4	174	0	0	0	0	113.9
340	F	25.1	Very low	28.5	Very low	199 Å²	199	141.4 Å²	141.4	87%	0.873	81%	0.809	S	S	*	*			trans	177.4	150.3	154.9	-92.8	-62.8	0	0	0	108.1
341	A	27.3	Very low	28.5	Very low	93 Å²	93	138.8 Å²	138.8	77%	0.769	80%	0.8	S	S	*	*			cis	76.4	131.7	8.5	0	0	0	0	0	117.7
342	G	26.6	Very low	28.9	Very low	76 Å²	76	135.6 Å²	135.6	78%	0.784	80%	0.796	S	S	*	*			cis	179.7	-173.3	-1.1	0	0	0	0	0	109.6
343	D	24.6	Very low	28.7	Very low	146 Å²	146	134.1 Å²	134.1	78%	0.781	79%	0.791	S	S	*	*			cis	-171	169.1	-6.7	-163.6	-97.5	0	0	0	111.6
344	S	27.3	Very low	28.8	Very low	99 Å²	99	136 Å²	136	69%	0.692	79%	0.786	S	S	*	*			trans	68.5	170.5	157.5	-80.9	0	0	0	0	121.4
345	P	49.8	Very low	28.9	Very low	121 Å²	121	138.6 Å²	138.6	79%	0.786	78%	0.784	S	S	*	*			cis	-106.4	-128.2	-2.6	42.1	-28.4	0	0	0	112.3
346	P	34.9	Very low	28.7	Very low	114 Å²	114	137.4 Å²	137.4	74%	0.74	78%	0.776	S	S	*	*			cis	-129.3	-157.3	14.4	45.5	-26.4	0	0	0	115.8
347	Q	27.8	Very low	28.9	Very low	190 Å²	190	134 Å²	134	89%	0.888	78%	0.775	S	S	*	*			trans	-144	167.7	173.6	-60.5	-172.5	-12.1	0	0	110
348	S	25.6	Very low	29	Very low	93 Å²	93	136.1 Å²	136.1	65%	0.65	78%	0.778	S	S	*	*			cis	-173.4	167.2	40.5	59.7	0	0	0	0	115.9
349	L	28	Very low	29.1	Very low	155 Å²	155	133.2 Å²	133.2	81%	0.812	77%	0.773	S	S	*	*			trans	76.1	143.5	145.6	-79.3	167.9	0	0	0	125.2
350	L	28.4	Very low	29.1	Very low	161 Å²	161	134.4 Å²	134.4	84%	0.843	78%	0.775	S	S	*	*			trans	80.6	123.4	156.5	-70.1	165.7	0	0	0	122.5
351	T	28.9	Very low	29.3	Very low	125 Å²	125	131 Å²	131	77%	0.767	77%	0.765	S	S	*	*			trans	-92.5	159.9	160.6	54.9	0	0	0	0	109.9
352	P	34.9	Very low	29.5	Very low	117 Å²	117	135.4 Å²	135.4	76%	0.76	76%	0.763	S	S	*	*				-151.7	150.2	93.8	38.2	-20	0	0	0	117.9
353	S	25.2	Very low	29.5	Very low	102 Å²	102	139.2 Å²	139.2	71%	0.713	77%	0.765	S	S	*	*			trans	13.5	141	148	72.2	0	0	0	0	123.2
354	R	27.7	Very low	29.7	Very low	216 Å²	216	138.8 Å²	138.8	82%	0.815	76%	0.762	S	S	*	*				138.6	145.2	93.4	-130.8	-169.5	153.9	144	-1.7	115
355	N	26.6	Very low	29.7	Very low	121 Å²	121	137.6 Å²	137.6	65%	0.647	77%	0.766	S	S	*	*			trans	54.7	127.2	165.5	-59.8	5.7	0	0	0	117.9
356	S	27.4	Very low	28.8	Very low	102 Å²	102	137 Å²	137	71%	0.713	77%	0.765	S	S	*	*			cis	83	114.1	27.2	85.8	0	0	0	0	116.7
357	L	30.3	Very low	28.5	Very low	168 Å²	168	137.4 Å²	137.4	88%	0.88	77%	0.765	S	S	*	*			trans	-161.4	154.3	137.6	-110.1	168.2	0	0	0	110.5
358	N	29.2	Very low	28.5	Very low	147 Å²	147	132.6 Å²	132.6	79%	0.786	75%	0.753	S	S	*	*			trans	-98.6	172.2	175.1	-58.1	-48.7	0	0	0	110.1
359	V	28.2	Very low	28.6	Very low	124 Å²	124	133.9 Å²	133.9	75%	0.752	76%	0.756	S	S	*	*				179.1	142.8	108.2	150.6	0	0	0	0	108.3
360	D	28.2	Very low	28.5	Very low	153 Å²	153	134.4 Å²	134.4	82%	0.818	75%	0.754	S	S	*	*			trans	-149.6	156.4	151.2	-129.8	-26.4	0	0	0	111.6
361	L	28.9	Very low	28.4	Very low	127 Å²	127	133.4 Å²	133.4	67%	0.665	75%	0.746	S	S	*	*			trans	-153.4	164	-162.6	-121.2	59.3	0	0	0	109.9
362	Y	31.3	Very low	28.2	Very low	186 Å²	186	137.9 Å²	137.9	73%	0.729	75%	0.749	S	S	*	*			cis	-152	145.7	8.2	-147.6	-34.8	0	0	0	107.6	L364	Y362-L364 HydrophobicContact CD1-CD1 4.21Å; Y362-L364 HydrophobicContact CE1-CD1 3.88Å
363	D	26.8	Very low	28.4	Very low	156 Å²	156	137.8 Å²	137.8	83%	0.834	75%	0.748	S	S	*	*			trans	-127.5	149.2	161.8	-163.4	6.2	0	0	0	110.5
364	L	28.6	Very low	28.7	Very low	137 Å²	137	138 Å²	138	72%	0.717	76%	0.756	S	S	*	*			trans	-131.9	102.6	-165.9	-140.3	79.5	0	0	0	108.1	Y362	Y362-L364 HydrophobicContact CD1-CD1 4.21Å; Y362-L364 HydrophobicContact CE1-CD1 3.88Å
365	G	27.3	Very low	28.8	Very low	74 Å²	74	132 Å²	132	76%	0.763	75%	0.753	S	S	*	*				96.7	148.5	70.1	0	0	0	0	0	109.3
366	S	30.9	Very low	28.8	Very low	109 Å²	109	132.3 Å²	132.3	76%	0.762	76%	0.759	S	S	*	*			cis	-151.1	-161.3	-14.7	53.1	0	0	0	0	106.3
367	T	27.4	Very low	28.8	Very low	123 Å²	123	135.1 Å²	135.1	76%	0.755	77%	0.765	S	S	*	*			cis	-164.5	178.1	14.7	-12.5	0	0	0	0	105.6
368	S	27.7	Very low	28.6	Very low	89 Å²	89	131.3 Å²	131.3	62%	0.622	76%	0.757	S	S	*	*			cis	-160.5	136.6	2.4	47.8	0	0	0	0	110.4
369	V	29.6	Very low	28.5	Very low	120 Å²	120	135 Å²	135	73%	0.727	76%	0.76	S	S	*	*			trans	65	137.7	130.7	178	0	0	0	0	117.4
370	Q	25.7	Very low	28.5	Very low	165 Å²	165	138.2 Å²	138.2	77%	0.771	76%	0.759	S	S	*	*			cis	-155.7	177.4	15.2	-138	144	18.2	0	0	108.6
371	Q	24.8	Very low	28.4	Very low	141 Å²	141	137.5 Å²	137.5	66%	0.659	76%	0.755	S	S	*	*				-155.8	136.3	-69	-102.4	-168.6	-35	0	0	108.6
372	W	26.3	Very low	28.6	Very low	219 Å²	219	136.9 Å²	136.9	83%	0.83	76%	0.761	S	S	*	*			trans	67.4	163.2	146.7	-70	53.3	0	0	0	119.9
373	P	37.8	Very low	28.5	Very low	115 Å²	115	135.3 Å²	135.3	75%	0.747	77%	0.765	S	S	*	*			cis	-132	-178.7	-45.3	39.2	-24.4	0	0	0	112.5
374	A	32.3	Very low	28.5	Very low	106 Å²	106	136.3 Å²	136.3	88%	0.876	76%	0.764	S	S	*	*			trans	-136.3	139.6	-178.9	0	0	0	0	0	114.9
375	A	29.8	Very low	28.7	Very low	91 Å²	91	139.1 Å²	139.1	75%	0.752	77%	0.771	S	S	*	*			trans	-169.1	151.4	168.6	0	0	0	0	0	108.6
376	T	26.4	Very low	29.6	Very low	126 Å²	126	141.8 Å²	141.8	77%	0.773	78%	0.775	S	S	*	*			cis	-161.9	155.8	-14.8	18.6	0	0	0	0	109.2
377	L	26.8	Very low	29.5	Very low	162 Å²	162	140 Å²	140	85%	0.848	77%	0.774	S	S	*	*			trans	55.8	114.2	151.6	-75.3	163.5	0	0	0	122.1
378	A	26	Very low	29.8	Very low	87 Å²	87	142.4 Å²	142.4	72%	0.719	78%	0.781	S	S	*	*				82	120.1	123.6	0	0	0	0	0	123.3
379	R	27.8	Very low	29.7	Very low	224 Å²	224	147 Å²	147	85%	0.845	79%	0.793	S	S	*	*			trans	70.8	105.2	141	-88.3	-166.4	171.6	-175.8	1.2	121.6
380	R	28.4	Very low	29.8	Very low	193 Å²	193	145.5 Å²	145.5	73%	0.728	79%	0.793	S	S	*	*				90.7	126	103.2	-146.2	-163.4	174.1	153.8	7.4	120.6
381	D	26.2	Very low	31.5	Very low	137 Å²	137	143.3 Å²	143.3	73%	0.733	79%	0.793	S	S	*	*			trans	62.4	165	155.6	-63.7	-23.2	0	0	0	119
382	S	31.7	Very low	33	Very low	114 Å²	114	141.4 Å²	141.4	80%	0.797	79%	0.793	S	S	*	*			trans	-134.2	154.8	-158.5	-173.4	0	0	0	0	112.6
383	L	29.2	Very low	33.2	Very low	153 Å²	153	142.5 Å²	142.5	80%	0.801	80%	0.797	S	S	*	*			trans	155.2	144.7	165.7	-82.7	154.9	0	0	0	105.3
384	Q	28.3	Very low	32.8	Very low	177 Å²	177	140.6 Å²	140.6	83%	0.827	79%	0.79	S	S	*	*			cis	-151	-170.4	20.3	-128.8	161.7	37.9	0	0	113.1
385	K	32.9	Very low	32.6	Very low	196 Å²	196	144 Å²	144	85%	0.852	79%	0.788	S	S	*	*			trans	-74.4	-179.6	-174	-83.8	-177.3	178.5	-177	0	114.8
386	P	45.3	Very low	32.4	Very low	130 Å²	130	146.1 Å²	146.1	84%	0.844	79%	0.791	S	S	*	*			cis	-136.3	-178.1	15.6	42	-22.6	0	0	0	118.1
387	G	29.9	Very low	32.4	Very low	72 Å²	72	143.9 Å²	143.9	74%	0.742	79%	0.786	S	S	*	*			trans	-165.2	173.3	177.8	0	0	0	0	0	114.4
388	L	33.1	Very low	32.4	Very low	173 Å²	173	146.5 Å²	146.5	91%	0.906	79%	0.79	S	S	*	*			trans	-150.4	174	-172.1	-73	173.4	0	0	0	109.7
389	E	25.3	Very low	32.8	Very low	186 Å²	186	151.7 Å²	151.7	87%	0.869	79%	0.791	S	S	*	*			cis	-123.8	-170.9	1.2	-90.2	-158.8	111.8	0	0	111.7
390	A	31.1	Very low	33.4	Very low	89 Å²	89	146.9 Å²	146.9	74%	0.736	79%	0.789	S	S	*	*			trans	-140.1	-164.9	-178.4	0	0	0	0	0	109.3
391	P	61.3	Low	33.5	Very low	118 Å²	118	143.5 Å²	143.5	77%	0.766	79%	0.786	S	S	*	*			cis	-133	-147.1	-2.5	46.6	-27.1	0	0	0	110.9
392	P	56.9	Low	33.6	Very low	101 Å²	101	142.9 Å²	142.9	66%	0.656	79%	0.791	S	S	*	*			cis	-134.8	157.1	-16	37.6	-19.4	0	0	0	117.7
393	R	30.6	Very low	34	Very low	243 Å²	243	143.4 Å²	143.4	92%	0.917	79%	0.791	S	S	*	*			trans	64.2	147.7	148.8	-71.1	175.7	171.5	157	-1.8	120.3
394	A	29.9	Very low	34.3	Very low	74 Å²	74	142.3 Å²	142.3	61%	0.612	79%	0.791	S	S	*	*			cis	-168.9	167.8	-18.6	0	0	0	0	0	113.8
395	H	27	Very low	35	Very low	178 Å²	178	139.1 Å²	139.1	82%	0.824	79%	0.785	S	S	*	*			trans	82.4	110.9	152.9	-69.8	-65.3	0	0	0	123.7
396	V	26.8	Very low	34.9	Very low	136 Å²	136	134.5 Å²	134.5	82%	0.824	78%	0.778	S	S	*	*				79.8	145.8	128.6	178.6	0	0	0	0	119.1
397	A	26	Very low	34.2	Very low	79 Å²	79	139.1 Å²	139.1	65%	0.653	78%	0.778	S	S	*	*			trans	-127.9	159.2	178.2	0	0	0	0	0	110.7
398	F	26.8	Very low	34.2	Very low	216 Å²	216	142 Å²	142	95%	0.947	78%	0.782	S	S	*	*			trans	-175.5	160.2	143.1	-113.2	-79.3	0	0	0	111.3
399	R	34.5	Very low	34	Very low	196 Å²	196	140.8 Å²	140.8	74%	0.74	78%	0.776	S	S	*	*			trans	-97.3	151.7	162.7	-95.9	-176.8	166	-119.3	3.5	109.4	D401	R399-D401 IonicContact NH1-OD1 2.85Å; R399-D401 PolarHBondContact NH1-OD1 2.94Å
400	P	40.4	Very low	34.4	Very low	123 Å²	123	136.4 Å²	136.4	80%	0.799	77%	0.766	S	S	*	*				-149.6	-169.4	99.8	38.1	-18.9	0	0	0	115
401	D	29.7	Very low	34.2	Very low	122 Å²	122	140.5 Å²	140.5	65%	0.652	77%	0.768	S	S	*	*			trans	-108.7	168.1	-163.9	-50	-91.6	0	0	0	116.3	R399	R399-D401 IonicContact NH1-OD1 2.85Å; R399-D401 PolarHBondContact NH1-OD1 2.94Å
402	C	27.9	Very low	32.8	Very low	125 Å²	125	141.6 Å²	141.6	85%	0.845	77%	0.767	S	S	*	*			trans	74.2	162.8	164.9	-64.8	0	0	0	0	118.3
403	P	41.7	Very low	31.4	Very low	124 Å²	124	140.5 Å²	140.5	81%	0.805	76%	0.762	S	S	*	*			cis	-132.4	-169.3	8.7	43.6	-25.6	0	0	0	117.6
404	V	34.4	Very low	31.4	Very low	130 Å²	130	137.6 Å²	137.6	79%	0.788	76%	0.758	S	S	*	*			trans	-82.2	158.5	177.7	-161.6	0	0	0	0	109.2
405	P	44.4	Very low	31.4	Very low	110 Å²	110	142.9 Å²	142.9	71%	0.714	77%	0.77	S	S	*	*			cis	-163.8	175.3	48.6	47.2	-23.5	0	0	0	124
406	S	30.3	Very low	32.3	Very low	99 Å²	99	140.1 Å²	140.1	69%	0.692	77%	0.768	S	S	*	*			trans	75.9	115.3	138.3	-76.4	0	0	0	0	126.7
407	R	30.6	Very low	32.3	Very low	228 Å²	228	144.8 Å²	144.8	86%	0.86	77%	0.771	S	S	*	*				84.7	156.3	123.3	-77	-172.5	163.9	-163.1	-4.3	124.1
408	T	28.8	Very low	33.2	Very low	133 Å²	133	147.2 Å²	147.2	82%	0.816	78%	0.78	S	S	*	*			trans	78.6	159.6	165.9	67.3	0	0	0	0	119
409	N	30.4	Very low	33.2	Very low	146 Å²	146	140.8 Å²	140.8	78%	0.781	77%	0.774	S	S	*	*				-168.9	165.3	-55.9	-130	23	0	0	0	110.5
410	S	32	Very low	33	Very low	94 Å²	94	136.1 Å²	136.1	66%	0.657	78%	0.778	S	S	*	*			trans	72.9	154	156.2	-56.9	0	0	0	0	119.5
411	F	28.8	Very low	33.1	Very low	176 Å²	176	136.5 Å²	136.5	77%	0.772	78%	0.781	S	S	*	*			cis	-162.6	151.1	-20.1	-128.4	-111.6	0	0	0	108.7
412	N	31.3	Very low	33	Very low	140 Å²	140	134.3 Å²	134.3	75%	0.749	79%	0.787	S	S	*	*			trans	34.5	157.1	144.3	-75.3	12.4	0	0	0	123.8
413	S	28.2	Very low	33.1	Very low	78 Å²	78	138.7 Å²	138.7	55%	0.545	79%	0.791	S	S	.	*			cis	-168.6	166.2	2.3	154	0	0	0	0	110.9
414	H	29.1	Very low	32.5	Very low	182 Å²	182	137.8 Å²	137.8	84%	0.843	79%	0.794	S	S	*	*			trans	138.3	149.9	139.6	-73.1	-72.6	0	0	0	117.7
415	Q	31.4	Very low	32.3	Very low	185 Å²	185	140.2 Å²	140.2	86%	0.864	80%	0.797	S	S	*	*			trans	-122.2	172.1	178.6	-92.5	-171.4	2.6	0	0	108.4
416	P	44.5	Very low	31.8	Very low	120 Å²	120	141 Å²	141	78%	0.779	80%	0.802	S	S	*	*			cis	-143	-164.3	28.9	41.4	-18.6	0	0	0	118
417	R	27.6	Very low	31.8	Very low	234 Å²	234	141.5 Å²	141.5	88%	0.883	81%	0.806	S	S	*	*			trans	-61	179.7	180	-64.2	176.4	169.6	-178.1	-3.8	115.9
418	P	44	Very low	32.3	Very low	131 Å²	131	139.2 Å²	139.2	85%	0.851	81%	0.81	S	S	*	*			cis	-130.9	170.1	-5.6	28	-6.2	0	0	0	116.4
419	G	27.4	Very low	32.8	Very low	80 Å²	80	138.7 Å²	138.7	83%	0.825	81%	0.808	S	S	*	*			trans	175.1	147.6	164.8	0	0	0	0	0	114.5
420	A	30.8	Very low	32.9	Very low	99 Å²	99	136.1 Å²	136.1	82%	0.818	81%	0.807	S	S	*	*			trans	-160.7	172.4	177.3	0	0	0	0	0	109.6
421	P	42.3	Very low	33.3	Very low	131 Å²	131	137.3 Å²	137.3	85%	0.851	81%	0.813	S	S	*	*			cis	-125.6	174.4	-7.1	41.2	-27.4	0	0	0	113.8
422	G	26.4	Very low	33.4	Very low	76 Å²	76	136.3 Å²	136.3	78%	0.784	82%	0.816	S	S	*	*			trans	171.2	122.6	166.4	0	0	0	0	0	117.4
423	K	29.8	Very low	33.5	Very low	217 Å²	217	136.3 Å²	136.3	94%	0.943	82%	0.821	S	S	*	*			trans	2.9	136.3	163	-60.8	179.9	177.5	-178.1	0	120.3
424	A	29.3	Very low	33.5	Very low	104 Å²	104	138.7 Å²	138.7	86%	0.86	83%	0.832	S	S	*	*			trans	-135.4	156.5	162.4	0	0	0	0	0	111.6
425	E	30.2	Very low	33.8	Very low	181 Å²	181	136.2 Å²	136.2	85%	0.846	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-81.8	163	178.4	-87	-169	139.2	0	0	113.6
426	P	34.2	Very low	33.7	Very low	128 Å²	128	131.6 Å²	131.6	83%	0.831	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-76.4	128.9	-173.4	30	-35.6	0	0	0	113.8
427	S	29.8	Very low	33	Very low	109 Å²	109	132.5 Å²	132.5	76%	0.762	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-99.6	141.3	166.9	57.8	0	0	0	0	111.7	P429	S427-P429 WeakPolarHBondContact O-CD 3.14Å
428	L	43.1	Very low	33.1	Very low	180 Å²	180	127.8 Å²	127.8	94%	0.942	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-70.2	126.4	177.6	-67.9	163	0	0	0	112.6
429	P	37.8	Very low	32.5	Very low	122 Å²	122	126 Å²	126	79%	0.792	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-103.2	136.9	165.7	35.1	-25.8	0	0	0	111.8	S427	S427-P429 WeakPolarHBondContact O-CD 3.14Å
430	A	33.1	Very low	32.7	Very low	91 Å²	91	126.3 Å²	126.3	75%	0.752	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-92.8	137.8	172	0	0	0	0	0	111
431	P	39.5	Very low	32.7	Very low	120 Å²	120	130.8 Å²	130.8	78%	0.779	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-82.5	120.7	-179.9	31.4	-33	0	0	0	112.1
432	N	32.7	Very low	32.3	Very low	155 Å²	155	131.7 Å²	131.7	83%	0.829	81%	0.814	S	S	*	*			trans	-149	91.2	163.2	-85.3	-59	0	0	0	109
433	T	33	Very low	33	Very low	139 Å²	139	136 Å²	136	85%	0.853	82%	0.818	S	S	*	*			trans	-81	125.3	179.2	-52.2	0	0	0	0	110.8
434	V	28.4	Very low	33.2	Very low	129 Å²	129	134.1 Å²	134.1	78%	0.782	81%	0.813	S	S	*	*			trans	-80.2	126	177.4	177.3	0	0	0	0	110	A436	V434-A436 PolarHBondContact O-N 3.07Å
435	T	33.8	Very low	33.5	Very low	130 Å²	130	134.7 Å²	134.7	80%	0.798	81%	0.808	S	S	*	*			trans	-81.7	111.6	170.1	-52.1	0	0	0	0	109.4
436	A	29.2	Very low	33.8	Very low	88 Å²	88	133 Å²	133	73%	0.727	81%	0.809	S	S	*	*			trans	-70.5	133.8	174.2	0	0	0	0	0	110.8	V434	V434-A436 PolarHBondContact O-N 3.07Å
437	V	31.1	Very low	33.9	Very low	139 Å²	139	136.4 Å²	136.4	84%	0.842	81%	0.811	S	S	*	*			trans	-94.5	109.3	175.5	179	0	0	0	0	108.9	A439	V437-A439 PolarHBondContact O-N 3.02Å
438	T	30.1	Very low	34.2	Very low	134 Å²	134	136.8 Å²	136.8	82%	0.822	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-67.4	124.8	169.7	43.4	0	0	0	0	110.3
439	A	30.8	Very low	33.9	Very low	93 Å²	93	134.8 Å²	134.8	77%	0.769	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-77	135.5	-178	0	0	0	0	0	112.2	V437	V437-A439 PolarHBondContact O-N 3.02Å
440	A	30.4	Very low	33.7	Very low	88 Å²	88	140.6 Å²	140.6	73%	0.727	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-78.2	147	168.1	0	0	0	0	0	110.9	I442	A440-I442 PolarHBondContact O-N 2.93Å
441	H	31.2	Very low	33.6	Very low	193 Å²	193	142.9 Å²	142.9	89%	0.894	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-65.5	131.4	-176.5	-77.4	-126.6	0	0	0	112.2
442	I	35	Very low	33.4	Very low	149 Å²	149	145.3 Å²	145.3	76%	0.764	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-93.7	120.6	179.4	-61	173.4	0	0	0	109.5	A440	A440-I442 PolarHBondContact O-N 2.93Å
443	L	41.5	Very low	33.3	Very low	166 Å²	166	149.3 Å²	149.3	87%	0.869	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-77.2	135.4	167.9	-66.9	173.8	0	0	0	110.4
444	H	33.4	Very low	33.4	Very low	179 Å²	179	148.2 Å²	148.2	83%	0.829	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-70.1	138.8	-172.3	-73.7	-71.3	0	0	0	113.8
445	P	36.2	Very low	33.7	Very low	116 Å²	116	150.9 Å²	150.9	75%	0.753	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-71.6	139.4	173.8	-18.1	31.8	0	0	0	113.7
446	V	35.8	Very low	33.7	Very low	144 Å²	144	150.6 Å²	150.6	87%	0.873	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-72.7	133.7	171.2	-178.7	0	0	0	0	110.4
447	K	36.2	Very low	33.7	Very low	200 Å²	200	155.6 Å²	155.6	87%	0.87	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-74.6	125.9	-178.1	-62.5	176.7	-177.3	174.2	0	111.4
448	S	35.6	Very low	33.7	Very low	118 Å²	118	155.6 Å²	155.6	83%	0.825	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-96.4	127.6	172.6	52.3	0	0	0	0	111.9
449	V	37.3	Very low	33.7	Very low	137 Å²	137	153.1 Å²	153.1	83%	0.83	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-83.9	140.2	176.7	177.3	0	0	0	0	109.9
450	R	34.1	Very low	33.6	Very low	245 Å²	245	155.7 Å²	155.7	93%	0.925	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-77	134.5	174.7	-67.4	-176.3	-179.9	-179.1	1	110.7
451	V	30	Very low	33.5	Very low	139 Å²	139	154.9 Å²	154.9	84%	0.842	84%	0.835	S	S	*	*			trans	-116.2	134.1	169.3	-178.7	0	0	0	0	108.6
452	L	35	Very low	34.4	Very low	171 Å²	171	151.7 Å²	151.7	90%	0.895	83%	0.831	S	S	*	*			trans	-78.5	157.8	177.8	-79.2	163.4	0	0	0	111.5
453	R	31.3	Very low	34.1	Very low	239 Å²	239	150.3 Å²	150.3	90%	0.902	84%	0.835	S	S	*	*			trans	-106.2	116.2	-170.3	-173	-175.2	-166.5	171.3	5	111.1
454	P	34.3	Very low	33.4	Very low	116 Å²	116	151.3 Å²	151.3	75%	0.753	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-72.4	156.4	171	-16.5	31.7	0	0	0	112.5
455	E	34.9	Very low	33.9	Very low	184 Å²	184	148.5 Å²	148.5	86%	0.86	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-86.9	152.2	170.3	-65.1	-166.5	126.8	0	0	111.9
456	P	33.9	Very low	33.5	Very low	124 Å²	124	147 Å²	147	81%	0.805	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-86.7	125.7	178.9	33.2	-32.2	0	0	0	112.6
457	Q	30.5	Very low	33.1	Very low	194 Å²	194	151.6 Å²	151.6	91%	0.907	83%	0.832	S	S	*	*			trans	-105.7	175	160.6	-69.5	-166.4	-1.1	0	0	111.3
458	T	30.7	Very low	32.8	Very low	139 Å²	139	147.5 Å²	147.5	85%	0.853	82%	0.823	S	S	*	*			trans	-110.1	144.8	-147.5	-28.7	0	0	0	0	115.4
459	A	29	Very low	33.2	Very low	81 Å²	81	147 Å²	147	67%	0.669	82%	0.818	S	S	*	*			trans	79.8	157.9	149.2	0	0	0	0	0	121.4
460	V	30.1	Very low	33	Very low	148 Å²	148	144.9 Å²	144.9	90%	0.897	81%	0.814	S	S	*	*			trans	56.1	135.4	163.1	-75.1	0	0	0	0	122
461	G	28	Very low	33.2	Very low	70 Å²	70	139.5 Å²	139.5	72%	0.722	81%	0.811	S	S	*	*			trans	-121	-152.1	150.3	0	0	0	0	0	108.5
462	P	50	Low	33.2	Very low	126 Å²	126	137.4 Å²	137.4	82%	0.818	81%	0.808	S	S	*	*			cis	-130	174.8	-4.2	42.4	-28.2	0	0	0	114.2
463	S	28.3	Very low	34.5	Very low	121 Å²	121	135.5 Å²	135.5	85%	0.846	81%	0.806	S	S	*	*			trans	-176.5	161.2	155.4	17.7	0	0	0	0	115.1
464	H	27.4	Very low	34.6	Very low	187 Å²	187	128.8 Å²	128.8	87%	0.866	80%	0.801	S	S	*	*			trans	-113.8	-169.7	165.6	-67.5	-101.3	0	0	0	108.9
465	P	43.5	Very low	35.4	Very low	119 Å²	119	129 Å²	129	77%	0.773	80%	0.803	S	S	*	*			cis	-139.8	174.4	-7.2	39.5	-19.4	0	0	0	118.1
466	A	26.7	Very low	35.2	Very low	85 Å²	85	124.4 Å²	124.4	70%	0.702	80%	0.797	S	S	*	*			trans	61.5	140.2	138.1	0	0	0	0	0	127.6
467	W	28.6	Very low	36.1	Very low	241 Å²	241	124.1 Å²	124.1	91%	0.913	80%	0.795	S	S	*	*			trans	77.6	168	144.5	-79.5	20.1	0	0	0	122
468	V	29	Very low	36.6	Very low	113 Å²	113	119 Å²	119	69%	0.685	79%	0.785	S	S	*	*			cis	170.7	160.3	-42	110.7	0	0	0	0	109.7
469	P	44.1	Very low	37	Very low	109 Å²	109	117.9 Å²	117.9	71%	0.708	78%	0.778	S	S	*	*			cis	-134.7	-169.3	-28.1	44.3	-26.5	0	0	0	115.5
470	A	33.8	Very low	37.2	Very low	91 Å²	91	121.2 Å²	121.2	75%	0.752	78%	0.78	S	S	*	*			trans	65.4	170.7	151.9	0	0	0	0	0	120
471	P	39.1	Very low	37.3	Very low	133 Å²	133	116.8 Å²	116.8	86%	0.864	76%	0.764	S	S	*	*			cis	-125.8	-151	2.2	44.2	-26.5	0	0	0	115.5
472	A	28.4	Very low	37.8	Very low	94 Å²	94	121 Å²	121	78%	0.777	77%	0.769	S	S	*	*			trans	-133	-153.5	-162.2	0	0	0	0	0	115.9
473	P	63.9	Low	37.1	Very low	131 Å²	131	122 Å²	122	85%	0.851	77%	0.768	S	S	*	*				-129.4	176.8	-123.7	38.6	-17.1	0	0	0	118.9
474	A	31.6	Very low	37.7	Very low	98 Å²	98	119.7 Å²	119.7	81%	0.81	76%	0.756	S	S	*	*			trans	-161.1	166	168.4	0	0	0	0	0	113.1
475	P	51.9	Low	38	Very low	122 Å²	122	118.8 Å²	118.8	79%	0.792	75%	0.75	S	S	*	*			trans	-135.7	-174.2	-150.7	45.5	-30.5	0	0	0	119.3
476	A	31.7	Very low	37.5	Very low	87 Å²	87	119.7 Å²	119.7	72%	0.719	74%	0.744	S	S	*	*			trans	74.1	169.9	151.5	0	0	0	0	0	118.5
477	P	51.7	Low	37.8	Very low	118 Å²	118	123.1 Å²	123.1	77%	0.766	75%	0.745	S	S	*	*			cis	-117.5	167.5	-2	44.1	-31.3	0	0	0	114
478	A	41.8	Very low	38	Very low	86 Å²	86	119.6 Å²	119.6	71%	0.711	74%	0.739	S	S	*	*			cis	76.5	154.9	29	0	0	0	0	0	113.8
479	T	38.3	Very low	37.9	Very low	115 Å²	115	117.9 Å²	117.9	71%	0.706	74%	0.736	S	S	*	*			cis	-83.9	-137.6	3.4	-16.6	0	0	0	0	113.1
480	E	32.8	Very low	37.1	Very low	152 Å²	152	121 Å²	121	71%	0.71	75%	0.746	S	S	*	*			cis	-147.7	166.2	12.3	-141.6	54.3	-92.6	0	0	106.6
481	G	33.5	Very low	36.9	Very low	54 Å²	54	120.6 Å²	120.6	56%	0.557	74%	0.743	S	S	*	*			cis	94.6	125.6	17	0	0	0	0	0	110.6
482	L	37.6	Very low	36.7	Very low	158 Å²	158	122.5 Å²	122.5	83%	0.827	75%	0.745	S	S	*	*			cis	-129	-165.4	-3.4	-51.9	169.7	0	0	0	106.9
483	D	36.1	Very low	36.8	Very low	147 Å²	147	121.7 Å²	121.7	79%	0.786	75%	0.745	S	S	*	*			cis	-162.7	177	-5.9	-139	-22.2	0	0	0	105.1
484	A	39.9	Very low	35.1	Very low	74 Å²	74	119.3 Å²	119.3	61%	0.612	75%	0.745	S	S	*	*			cis	-156.5	-166.5	-1.3	0	0	0	0	0	106.7
485	K	33.5	Very low	35.1	Very low	167 Å²	167	119.8 Å²	119.8	73%	0.726	75%	0.748	S	S	*	*			cis	-157.4	-150.1	-0.6	-147	175.9	-169.7	-74.9	0	109.9
486	E	33.5	Very low	33.9	Very low	138 Å²	138	117.8 Å²	117.8	65%	0.645	75%	0.75	S	S	*	*			trans	-57.5	154.7	178.2	-75.7	136.4	-158.6	0	0	117.4
487	E	33.9	Very low	33.7	Very low	158 Å²	158	117.5 Å²	117.5	74%	0.738	75%	0.748	S	S	*	*			cis	-155.5	167.7	3.3	-132.7	179.6	173.3	0	0	114.9
488	H	31.5	Very low	32.6	Very low	167 Å²	167	122.4 Å²	122.4	77%	0.773	75%	0.753	S	S	*	*			trans	6.1	151.7	153.3	-76	-46.1	0	0	0	123
489	A	27.7	Very low	32.5	Very low	76 Å²	76	123 Å²	123	63%	0.628	75%	0.749	S	S	*	*			cis	-170.8	171.1	-2.3	0	0	0	0	0	114.3
490	L	27	Very low	32	Very low	174 Å²	174	124.4 Å²	124.4	91%	0.911	75%	0.752	S	S	*	*			trans	74.5	171.2	153.5	-79.9	168.7	0	0	0	120.8
491	A	30	Very low	31.8	Very low	83 Å²	83	123.3 Å²	123.3	69%	0.686	75%	0.75	S	S	*	*			trans	-150.1	-165.8	-162.6	0	0	0	0	0	112.4
492	L	33.6	Very low	31.5	Very low	174 Å²	174	126 Å²	126	91%	0.911	76%	0.756	S	S	*	*			trans	77.1	141.2	-176.3	-58.7	112.9	0	0	0	115.7
493	G	30.8	Very low	31	Very low	76 Å²	76	126.4 Å²	126.4	78%	0.784	75%	0.754	S	S	*	*			cis	165.3	157.6	-10.2	0	0	0	0	0	114.9
494	G	29.4	Very low	30.5	Very low	82 Å²	82	129.8 Å²	129.8	85%	0.845	76%	0.757	S	S	*	*			trans	101	137.9	170.1	0	0	0	0	0	115.4
495	A	29.9	Very low	29.8	Very low	107 Å²	107	129.5 Å²	129.5	88%	0.884	76%	0.761	S	S	*	*			cis	-158.7	139.6	-7.7	0	0	0	0	0	113
496	G	27	Very low	29.6	Very low	81 Å²	81	125.4 Å²	125.4	84%	0.835	77%	0.766	S	S	*	*			trans	84.3	144.9	159.7	0	0	0	0	0	117.8
497	A	28.5	Very low	29.6	Very low	80 Å²	80	125 Å²	125	66%	0.661	78%	0.775	S	S	*	*			cis	-162.8	145.8	-12.5	0	0	0	0	0	113
498	Y	29	Very low	29.2	Very low	222 Å²	222	123.9 Å²	123.9	87%	0.871	78%	0.775	S	S	*	*			trans	70.5	149.1	158.9	-69.7	-60.4	0	0	0	118.8
499	P	38	Very low	29.1	Very low	97 Å²	97	126.4 Å²	126.4	63%	0.63	78%	0.777	S	S	*	*				-140.9	-172.2	-115.1	46.7	-29.8	0	0	0	115.6
500	L	28.5	Very low	28.9	Very low	146 Å²	146	134.4 Å²	134.4	76%	0.764	79%	0.791	S	S	*	*			trans	44.2	129.2	145.8	-65.6	158.2	0	0	0	117.9
501	D	28.1	Very low	29.4	Very low	128 Å²	128	132 Å²	132	68%	0.684	79%	0.787	S	S	*	*			cis	-164.9	135	44.2	-108.1	-26.8	0	0	0	108.7
502	V	28.7	Very low	29.6	Very low	112 Å²	112	133.4 Å²	133.4	68%	0.679	79%	0.79	S	S	*	*				90.1	125.8	90.3	156.5	0	0	0	0	116
503	E	26	Very low	30.1	Very low	165 Å²	165	130.6 Å²	130.6	77%	0.771	78%	0.782	S	S	*	*			trans	69.4	134.5	154.6	-78.2	-175.4	145.6	0	0	125.9
504	Y	26.6	Very low	30.1	Very low	219 Å²	219	132.7 Å²	132.7	86%	0.859	78%	0.781	S	S	*	*			trans	51.7	131.9	139.7	-89.8	-109.9	0	0	0	123.7
505	G	24.1	Very low	30.3	Very low	67 Å²	67	134.1 Å²	134.1	69%	0.691	78%	0.776	S	S	*	*				111.5	113.9	116.6	0	0	0	0	0	117.2
506	G	30.2	Very low	30.5	Very low	81 Å²	81	139.6 Å²	139.6	84%	0.835	78%	0.775	S	S	*	*			trans	-87.8	148.9	152.8	0	0	0	0	0	110.6
507	P	32.3	Very low	30.9	Very low	130 Å²	130	141 Å²	141	84%	0.844	77%	0.769	S	S	*	*			trans	-132.9	171.8	148.4	38.5	-28.2	0	0	0	114.6
508	D	26	Very low	30.8	Very low	135 Å²	135	145.2 Å²	145.2	72%	0.722	77%	0.773	S	S	*	*			trans	-59.7	147.3	-168.8	-98.2	-74.4	0	0	0	118.8
509	R	30.1	Very low	30.9	Very low	219 Å²	219	142 Å²	142	83%	0.826	77%	0.766	S	S	*	*				13.6	120	128.8	-57.2	174.6	179.3	-120.9	-2.5	117.4
510	R	22.8	Very low	30.4	Very low	245 Å²	245	144.4 Å²	144.4	93%	0.925	77%	0.772	S	S	*	*				-173.8	145	103.6	-99.2	166.8	-165.5	-158.4	5.5	112.9
511	C	38.2	Very low	30.3	Very low	122 Å²	122	144.5 Å²	144.5	82%	0.824	77%	0.773	S	S	*	*			trans	-66.5	152	166.4	-41.9	0	0	0	0	110.4
512	P	34.2	Very low	30.1	Very low	114 Å²	114	146.2 Å²	146.2	74%	0.74	78%	0.781	S	S	*	*				-139.4	178.2	89.5	37.9	-22.2	0	0	0	112.9
513	P	43.9	Very low	29.8	Very low	114 Å²	114	151.1 Å²	151.1	74%	0.74	79%	0.787	S	S	*	*			trans	-80.5	176.8	-173	36.2	-37.9	0	0	0	112.4
514	P	31.5	Very low	29.7	Very low	120 Å²	120	147.6 Å²	147.6	78%	0.779	78%	0.781	S	S	*	*				-142.3	-148.2	105.2	48.2	-33.7	0	0	0	111.5
515	P	31.9	Very low	29.5	Very low	113 Å²	113	146.6 Å²	146.6	73%	0.734	78%	0.781	S	S	*	*			trans	-129.9	-173.7	-133.6	28.2	-0	0	0	0	115.8	P517	P515-P517 WeakPolarHBondContact O-CD 3.45Å
516	Y	34.7	Very low	29.5	Very low	222 Å²	222	146.5 Å²	146.5	87%	0.871	77%	0.77	S	S	*	*			trans	-59	132.7	167.6	-91.8	-92.7	0	0	0	114.2
517	P	35.5	Very low	29.3	Very low	109 Å²	109	150.2 Å²	150.2	71%	0.708	77%	0.766	S	S	*	*			trans	-95.5	143.6	138.8	34.5	-28	0	0	0	109.9	P515	P515-P517 WeakPolarHBondContact O-CD 3.45Å
518	K	27.5	Very low	28.9	Very low	170 Å²	170	150.1 Å²	150.1	74%	0.739	75%	0.754	S	S	*	*			cis	90.3	97.4	30.5	-70.8	-168.4	170.9	-179.9	0	116
519	H	29.6	Very low	28.8	Very low	154 Å²	154	152.5 Å²	152.5	71%	0.713	75%	0.754	S	S	*	*			trans	63.5	118.1	135.9	-50.2	-57.3	0	0	0	121.9
520	L	28.6	Very low	28.6	Very low	147 Å²	147	148.5 Å²	148.5	77%	0.77	75%	0.749	S	S	*	*				51.6	134.4	120.5	-68.4	167.5	0	0	0	122.5
521	L	25.8	Very low	28.7	Very low	148 Å²	148	143.3 Å²	143.3	78%	0.775	74%	0.739	S	S	*	*			trans	74	102.6	143.5	-67.9	164.3	0	0	0	120.6
522	L	24.2	Very low	28.1	Very low	164 Å²	164	144.1 Å²	144.1	86%	0.859	74%	0.735	S	S	*	*				-176.8	139.4	116.6	-114.6	59.2	0	0	0	106.4
523	R	22.8	Very low	27.8	Very low	215 Å²	215	144.2 Å²	144.2	81%	0.811	74%	0.738	S	S	*	*			cis	103.3	99.9	17.4	-160.2	-110.7	171.4	128.2	2.1	114.7
524	S	23.8	Very low	27.1	Very low	92 Å²	92	146.5 Å²	146.5	64%	0.643	74%	0.744	S	S	*	*			trans	71	109.8	154.4	-60	0	0	0	0	120.2
525	K	21.8	Very low	27	Very low	198 Å²	198	146.4 Å²	146.4	86%	0.861	74%	0.744	S	S	*	*				167.8	158.9	114.8	-93.4	-166.7	173.2	-158.9	0	110.3
526	S	25	Very low	26.8	Very low	64 Å²	64	145.6 Å²	145.6	45%	0.448	75%	0.747	S	S	.	*			cis	-177.2	160.3	-38.2	50.7	0	0	0	0	107.2
527	E	24.8	Very low	26.5	Very low	160 Å²	160	137.9 Å²	137.9	75%	0.748	74%	0.735	S	S	*	*			trans	64.8	147.4	167.8	-73.7	100.7	-130.7	0	0	118.2
528	Q	23.9	Very low	26.2	Very low	128 Å²	128	139.4 Å²	139.4	60%	0.598	74%	0.742	S	S	*	*			cis	-169.6	169.1	-19.6	-161.9	168.4	-6.4	0	0	110.3
529	Y	24.5	Very low	26.3	Very low	185 Å²	185	138.4 Å²	138.4	73%	0.725	74%	0.74	S	S	*	*			trans	73.4	146.2	162	-61	-62.4	0	0	0	119.1
530	D	25.3	Very low	26.3	Very low	135 Å²	135	139 Å²	139	72%	0.722	74%	0.743	S	S	*	*			cis	-165.6	-176.6	-28.8	-145.4	-15.4	0	0	0	112
531	L	26.1	Very low	26.4	Very low	135 Å²	135	136.5 Å²	136.5	71%	0.707	74%	0.738	S	S	*	*			trans	99.1	96.9	144.2	-130.6	72.7	0	0	0	121.3
532	D	25	Very low	26.5	Very low	139 Å²	139	136.4 Å²	136.4	74%	0.743	74%	0.738	S	S	*	*			trans	68.9	151.2	131.3	-66.7	-11.7	0	0	0	125.5
533	S	27.7	Very low	26.7	Very low	116 Å²	116	139.7 Å²	139.7	81%	0.811	74%	0.739	S	S	*	*			trans	-137.9	143.2	169.7	-65.7	0	0	0	0	110.1
534	L	29.3	Very low	26.9	Very low	163 Å²	163	134.5 Å²	134.5	85%	0.853	74%	0.741	S	S	*	*			trans	-148.2	147.7	173.6	-75.8	175.9	0	0	0	108.3
535	C	28.4	Very low	27.2	Very low	117 Å²	117	133.6 Å²	133.6	79%	0.791	75%	0.747	S	S	*	*			cis	-165.3	166.1	-22.9	-137	0	0	0	0	106.4
536	A	28.7	Very low	28.6	Very low	96 Å²	96	130.7 Å²	130.7	79%	0.793	75%	0.748	S	S	*	*			cis	-148.3	-165.5	3.2	0	0	0	0	0	107.4
537	G	27.3	Very low	28.6	Very low	60 Å²	60	133.4 Å²	133.4	62%	0.619	77%	0.768	S	S	*	*			cis	163.4	172.7	0.8	0	0	0	0	0	111
538	V	29.2	Very low	28.9	Very low	141 Å²	141	134.3 Å²	134.3	86%	0.855	77%	0.772	S	S	*	*			trans	71.2	127.8	172.5	-173.5	0	0	0	0	113
539	E	29.5	Very low	30	Very low	150 Å²	150	133 Å²	133	70%	0.701	77%	0.774	S	S	*	*			cis	-150.7	158.9	17.4	-154.8	153.6	-158.8	0	0	114.8
540	Q	30.5	Very low	30.5	Very low	165 Å²	165	133.3 Å²	133.3	77%	0.771	78%	0.782	S	S	*	*			trans	20.6	151.3	153.2	-66.3	176	61.7	0	0	123.5
541	S	31.1	Very low	30.7	Very low	96 Å²	96	130.6 Å²	130.6	67%	0.671	79%	0.786	S	S	*	*			cis	-176.1	173.6	-16.6	-169.5	0	0	0	0	112
542	L	28.1	Very low	30.7	Very low	146 Å²	146	128.4 Å²	128.4	76%	0.764	80%	0.796	S	S	*	*			trans	86.5	100.6	159.4	-56.1	-180	0	0	0	123.3
543	R	27.8	Very low	31	Very low	233 Å²	233	129.8 Å²	129.8	88%	0.879	80%	0.798	S	S	*	*				47.1	122.9	128.1	-65.8	-178.5	175.6	-172.7	-2.1	120.7
544	A	27.2	Very low	31.2	Very low	105 Å²	105	132.9 Å²	132.9	87%	0.868	80%	0.797	S	S	*	*				73.2	140.9	69	0	0	0	0	0	114.8
545	G	29.4	Very low	31.1	Very low	74 Å²	74	130.8 Å²	130.8	76%	0.763	80%	0.796	S	S	*	*			cis	-158.7	-157.7	12.8	0	0	0	0	0	115.1
546	P	50.9	Low	31.4	Very low	136 Å²	136	136.4 Å²	136.4	88%	0.883	80%	0.8	S	S	*	*			trans	-123.3	175.1	-152.3	43.7	-34.6	0	0	0	118.6
547	S	26.6	Very low	31.3	Very low	122 Å²	122	142 Å²	142	85%	0.853	81%	0.807	S	S	*	*			trans	-162	139.3	160.7	60.1	0	0	0	0	115.6
548	E	30.1	Very low	31.3	Very low	178 Å²	178	144.8 Å²	144.8	83%	0.832	82%	0.817	S	S	*	*			trans	-96	-166.9	167.8	-88.4	-90	146.5	0	0	109.9
549	P	47.5	Very low	31.4	Very low	101 Å²	101	143.2 Å²	143.2	66%	0.656	82%	0.819	S	S	*	*			cis	-147.9	-171.9	10.3	48.1	-28.4	0	0	0	119.3
550	E	34	Very low	31.4	Very low	192 Å²	192	146.6 Å²	146.6	90%	0.897	83%	0.831	S	S	*	*			trans	65.7	155.3	157.1	-61	-161	161.3	0	0	121.1
551	G	29.5	Very low	31.3	Very low	78 Å²	78	142.5 Å²	142.5	80%	0.804	83%	0.833	S	S	*	*			cis	170.2	159.9	-6.7	0	0	0	0	0	113.3
552	G	26.6	Very low	31.2	Very low	88 Å²	88	144.5 Å²	144.5	91%	0.907	84%	0.836	S	S	*	*			trans	152	149.4	169	0	0	0	0	0	119.6
553	E	31.6	Very low	31.4	Very low	168 Å²	168	146.3 Å²	146.3	79%	0.785	84%	0.838	S	S	*	*			trans	-118.3	159.9	-176	-56.9	-176.6	105.4	0	0	115.5
554	K	31.1	Very low	31.4	Very low	182 Å²	182	139 Å²	139	79%	0.791	84%	0.835	S	S	*	*				169.1	136.4	106.8	-101.8	155.5	-172.2	166.4	0	119.9
555	S	29.1	Very low	31.6	Very low	119 Å²	119	137.4 Å²	137.4	83%	0.832	83%	0.83	S	S	*	*			trans	78.1	165.7	139.5	-148.9	0	0	0	0	123
556	R	33	Very low	31.9	Very low	234 Å²	234	143.4 Å²	143.4	88%	0.883	84%	0.835	S	S	*	*			trans	-135	160.1	-165.4	-58.8	171.3	172.6	168.4	-4	112.9
557	K	27.3	Very low	31.2	Very low	213 Å²	213	145 Å²	145	93%	0.926	84%	0.836	S	S	*	*			trans	-167.9	165.7	138.6	-112.4	168.2	-175.4	177.6	0	113.7
558	S	27.2	Very low	31.8	Very low	119 Å²	119	148.6 Å²	148.6	83%	0.832	84%	0.836	S	S	*	*			trans	-139.5	154	-170.3	-38.8	0	0	0	0	112.1
559	A	31.3	Very low	32.2	Very low	109 Å²	109	150.1 Å²	150.1	90%	0.901	84%	0.84	S	S	*	*			trans	-168.9	159.2	154	0	0	0	0	0	114.6
560	K	29.9	Very low	31.5	Very low	220 Å²	220	154.4 Å²	154.4	96%	0.957	85%	0.851	S	S	*	*			trans	-76.3	164.3	-177.5	-67.6	173.5	171.3	177.4	0	115.3
561	G	28.3	Very low	31.8	Very low	79 Å²	79	152 Å²	152	81%	0.814	84%	0.843	S	S	*	*			trans	-161.2	156.2	160.2	0	0	0	0	0	111.2
562	D	29.1	Very low	32.3	Very low	138 Å²	138	157.6 Å²	157.6	74%	0.738	85%	0.848	S	S	*	*			trans	-143.7	162.7	-165	-177	29.6	0	0	0	114.2
563	K	31.3	Very low	32.9	Very low	184 Å²	184	158.5 Å²	158.5	80%	0.8	84%	0.836	S	S	*	*			trans	77.4	145	165.1	-46.6	-166.2	-179.5	-179.5	0	120.8
564	G	28.8	Very low	33	Very low	79 Å²	79	155.2 Å²	155.2	81%	0.814	83%	0.832	S	S	*	*			trans	123.7	78.8	146.4	0	0	0	0	0	117.4
565	G	30.8	Very low	33.3	Very low	73 Å²	73	152.9 Å²	152.9	75%	0.753	84%	0.835	S	S	*	*			trans	-79.8	166.3	174.2	0	0	0	0	0	114.9
566	K	35.4	Very low	34.1	Very low	200 Å²	200	152.4 Å²	152.4	87%	0.87	83%	0.827	S	S	*	*			trans	-171.4	114.6	160.6	-108.7	152	-172.5	167.8	0	111.8
567	D	36.6	Very low	34.4	Very low	170 Å²	170	146.9 Å²	146.9	91%	0.909	82%	0.821	S	S	*	*			trans	-61.8	143.5	170.8	-63.8	-79	0	0	0	112.2
568	K	40.3	Very low	34.8	Very low	196 Å²	196	143.3 Å²	143.3	85%	0.852	82%	0.817	S	S	*	*			trans	-127.6	121.7	171.5	-74.3	-176.2	178.5	175.4	0	109.8	Q570	K568-Q570 PolarHBondContact O-N 3.36Å
569	K	37.6	Very low	35.3	Very low	210 Å²	210	147.9 Å²	147.9	91%	0.913	82%	0.816	S	S	*	*			trans	-55.7	124.3	177.8	-61.8	-179.6	179.5	-177.7	0	109.9	I571	K569-I571 PolarHBondContact O-N 3Å
570	Q	33.3	Very low	35.7	Very low	191 Å²	191	152 Å²	152	89%	0.893	81%	0.814	S	S	*	*			trans	-76.7	115.7	-179.3	-173.5	173.2	2.6	0	0	110.2	K568	K568-Q570 PolarHBondContact O-N 3.36Å
571	I	39.7	Very low	36	Very low	143 Å²	143	148.8 Å²	148.8	73%	0.733	81%	0.807	S	S	*	*			trans	-74.6	128.3	168.3	-62.2	174.9	0	0	0	107.6	K569 T573	K569-I571 PolarHBondContact O-N 3Å; I571-T573 VanDerWaalsContact C-N 3.28Å; I571-T573 HydrophobicContact CG2-CG2 4.46Å; I571-T573 PolarHBondContact O-N 3.44Å
572	Q	39.2	Very low	36.4	Very low	194 Å²	194	150.1 Å²	150.1	91%	0.907	80%	0.804	S	S	*	*			trans	-77.4	74.4	-177.7	-165	179.4	31.5	0	0	111.2
573	T	39.8	Very low	36.8	Very low	107 Å²	107	154.8 Å²	154.8	66%	0.656	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-71.7	143.1	169.1	54.9	0	0	0	0	110.3	I571	I571-T573 VanDerWaalsContact C-N 3.28Å; I571-T573 HydrophobicContact CG2-CG2 4.46Å; I571-T573 PolarHBondContact O-N 3.44Å
574	S	33	Very low	37.2	Very low	100 Å²	100	152 Å²	152	70%	0.699	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-53.1	147.8	177.1	-46.6	0	0	0	0	112	V576	S574-V576 PolarHBondContact O-N 3.38Å; S574-V576 VanDerWaalsContact O-N 3.13Å
575	P	39	Very low	37.6	Very low	132 Å²	132	156.6 Å²	156.6	86%	0.857	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-52.5	119.9	-176.8	-28.4	35.7	0	0	0	112.7
576	V	45.8	Very low	38.3	Very low	110 Å²	110	159 Å²	159	67%	0.667	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-72.4	129.5	170.6	178.5	0	0	0	0	107.4	S574 V578	S574-V576 PolarHBondContact O-N 3.38Å; S574-V576 VanDerWaalsContact O-N 3.13Å; V576-V578 PolarHBondContact O-N 3.44Å; V576-V578 VanDerWaalsContact O-N 3.11Å
577	P	38.4	Very low	38.8	Very low	117 Å²	117	156.4 Å²	156.4	76%	0.76	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-53.9	120.7	176	-27.7	35.7	0	0	0	111	R579	P577-R579 PolarHBondContact O-N 3.25Å; P577-R579 VanDerWaalsContact O-N 3.16Å
578	V	36.3	Very low	39.1	Very low	138 Å²	138	159.9 Å²	159.9	84%	0.836	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-65.1	116.6	-175.8	178.8	0	0	0	0	108.9	V576 K580	V576-V578 PolarHBondContact O-N 3.44Å; V576-V578 VanDerWaalsContact O-N 3.11Å; V578-K580 PolarHBondContact O-N 3.1Å; V578-K580 VanDerWaalsContact O-N 3.16Å
579	R	38.1	Very low	39.1	Very low	216 Å²	216	157.2 Å²	157.2	82%	0.815	78%	0.777	S	S	*	*			trans	-66.8	113.3	166.2	-79.9	-172.5	167.6	90.4	-2	108.2	P577 N581	P577-R579 PolarHBondContact O-N 3.25Å; P577-R579 VanDerWaalsContact O-N 3.16Å; R579-N581 PolarHBondContact O-N 3.37Å; R579-N581 PolarHBondContact O-OD1 2.88Å
580	K	39.3	Very low	39.4	Very low	195 Å²	195	152.5 Å²	152.5	85%	0.848	77%	0.77	S	S	*	*			trans	-68.6	110.3	169.8	-168.7	175.5	-175.9	178.9	0	107.5	V578 S582	V578-K580 PolarHBondContact O-N 3.1Å; V578-K580 VanDerWaalsContact O-N 3.16Å; K580-S582 VanDerWaalsContact C-N 3.34Å; K580-S582 PolarHBondContact O-N 2.62Å
581	N	36.7	Very low	40.4	Very low	152 Å²	152	152 Å²	152	81%	0.813	76%	0.76	S	S	*	*			trans	-74.6	81.3	-176.7	-71.6	-10.2	0	0	0	111.4	R579	R579-N581 PolarHBondContact O-N 3.37Å; R579-N581 PolarHBondContact O-OD1 2.88Å
582	S	35.7	Very low	40.9	Very low	107 Å²	107	152.8 Å²	152.8	75%	0.748	76%	0.764	S	S	*	*			trans	-72.6	144.8	154.5	50.8	0	0	0	0	109.7	K580	K580-S582 VanDerWaalsContact C-N 3.34Å; K580-S582 PolarHBondContact O-N 2.62Å
583	R	37	Very low	41.7	Very low	237 Å²	237	150.4 Å²	150.4	89%	0.894	75%	0.751	S	S	*	*			trans	-52.7	144.7	-167.1	-69	175.3	172.3	165.6	-3.8	114.7	E585	R583-E585 VanDerWaalsContact C-N 3.25Å; R583-E585 PolarHBondContact O-N 2.77Å
584	D	41.3	Very low	42.5	Very low	124 Å²	124	150.7 Å²	150.7	66%	0.663	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	65.2	173.9	-92.3	-85.1	0	0	0	113.3	K587	D584-K587 IonicContact OD1-NZ 2.6Å; D584-K587 PolarHBondContact OD1-NZ 3Å
585	E	37.1	Very low	44	Very low	176 Å²	176	150.9 Å²	150.9	82%	0.822	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-23.3	170.6	-78	-86.9	113.1	0	0	112.7	R583 K587	R583-E585 VanDerWaalsContact C-N 3.25Å; R583-E585 PolarHBondContact O-N 2.77Å; E585-K587 PolarHBondContact O-N 3.38Å
586	E	44	Very low	45.6	Very low	124 Å²	124	146.4 Å²	146.4	58%	0.579	72%	0.715	S	S	*	*			trans	-80.5	38.5	-176.9	-150.6	-149.9	138	0	0	113.9	R588 R591	E586-R588 PolarHBondContact O-N 3Å; E586-R591 IonicContact OE1-CZ 3.24Å; E586-R591 VanDerWaalsContact OE1-CZ 3.23Å; E586-R591 IonicContact OE1-NE 3.03Å; E586-R591 PolarHBondContact OE1-NE 2.9Å; E586-R591 IonicContact OE1-NH2 3.25Å; E586-R591 PolarHBondContact OE1-NH2 3.06Å; E586-R591 IonicContact OE2-CZ 2.83Å; E586-R591 IonicContact OE2-NH2 2.77Å; E586-R591 PolarHBondContact OE2-NH2 3.42Å; E586-R591 VanDerWaalsContact OE2-NH2 3.1Å
587	K	46.5	Very low	47	Very low	145 Å²	145	146.7 Å²	146.7	63%	0.63	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	37.7	-158.2	-146.9	173.7	-164.8	133.1	0	116.8	D584 E585	D584-K587 IonicContact OD1-NZ 2.6Å; D584-K587 PolarHBondContact OD1-NZ 3Å; E585-K587 PolarHBondContact O-N 3.38Å
588	R	42.1	Very low	48.3	Very low	244 Å²	244	146.3 Å²	146.3	92%	0.921	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-160	19.2	156.9	-117.3	167.4	-149.5	-126.4	7.9	118.8	E586 S590	E586-R588 PolarHBondContact O-N 3Å; R588-S590 PolarHBondContact O-N 3.42Å
589	E	40.2	Very low	49.9	Very low	140 Å²	140	139.8 Å²	139.8	65%	0.654	66%	0.664	S	S	*	*			trans	-66.4	105.1	169.2	-157.5	81.4	-83.1	0	0	110	R591	E589-R591 HydrophobicContact CB-CG 4.04Å; E589-R591 HydrophobicContact CG-CG 3.79Å; E589-R591 PolarHBondContact O-N 2.87Å
590	S	45.1	Very low	51.8	Low	110 Å²	110	135 Å²	135	77%	0.769	65%	0.649	S	S	*	*			trans	-79	69.9	-178	51.3	0	0	0	0	110.8	R588 I592	R588-S590 PolarHBondContact O-N 3.42Å; S590-I592 PolarHBondContact O-N 2.84Å
591	R	55	Low	53.6	Low	181 Å²	181	130.1 Å²	130.1	68%	0.683	63%	0.628	S	S	*	*			trans	-62	34.4	-167.4	-69.3	179.3	173.4	-159.7	0.3	117.9	E586 E589 K593	E586-R591 IonicContact OE1-CZ 3.24Å; E586-R591 VanDerWaalsContact OE1-CZ 3.23Å; E586-R591 IonicContact OE1-NE 3.03Å; E586-R591 PolarHBondContact OE1-NE 2.9Å; E586-R591 IonicContact OE1-NH2 3.25Å; E586-R591 PolarHBondContact OE1-NH2 3.06Å; E586-R591 IonicContact OE2-CZ 2.83Å; E586-R591 IonicContact OE2-NH2 2.77Å; E586-R591 PolarHBondContact OE2-NH2 3.42Å; E586-R591 VanDerWaalsContact OE2-NH2 3.1Å; E589-R591 HydrophobicContact CB-CG 4.04Å; E589-R591 HydrophobicContact CG-CG 3.79Å; E589-R591 PolarHBondContact O-N 2.87Å; R591-K593 VanDerWaalsContact C-N 3.31Å; R591-K593 PolarHBondContact O-N 2.97Å
592	I	50.1	Low	55.2	Low	159 Å²	159	123.1 Å²	123.1	82%	0.815	59%	0.59	S	S	*	*			trans	-76.4	90.7	149.5	-57.4	-180	0	0	0	106.4	S590 S594	S590-I592 PolarHBondContact O-N 2.84Å; I592-S594 PolarHBondContact O-N 3.04Å; I592-S594 VanDerWaalsContact O-N 3.17Å
593	K	56	Low	57.2	Low	145 Å²	145	121.5 Å²	121.5	63%	0.63	57%	0.57	S	S	*	*			trans	-55.8	122.4	170.5	-74.8	-176.6	169.3	-171.7	0	108.7	R591 Y595	R591-K593 VanDerWaalsContact C-N 3.31Å; R591-K593 PolarHBondContact O-N 2.97Å; K593-Y595 VanDerWaalsContact C-N 3.25Å; K593-Y595 HydrophobicContact CB-CD1 4.04Å; K593-Y595 HydrophobicContact CB-CE1 3.42Å; K593-Y595 VanDerWaalsContact CB-CE1 3.42Å; K593-Y595 HydrophobicContact CB-CE2 4.18Å; K593-Y595 HydrophobicContact CD-CE1 3.89Å; K593-Y595 WeakPolarHBondContact CD-OH 3.46Å; K593-Y595 HydrophobicContact CG-CE1 4.3Å; K593-Y595 PolarHBondContact O-N 3.17Å
594	S	56.4	Low	59.3	Low	113 Å²	113	113.6 Å²	113.6	79%	0.79	54%	0.544	S	S	*	.			trans	-76.3	72.9	-175.3	57.5	0	0	0	0	111.3	I592	I592-S594 PolarHBondContact O-N 3.04Å; I592-S594 VanDerWaalsContact O-N 3.17Å
595	Y	63.6	Low	61.1	Low	103 Å²	103	111.4 Å²	111.4	40%	0.404	53%	0.529	S	S	.	.			trans	-68.5	139.5	177.1	-53.9	-46	0	0	0	111.3	K593 Y1036	K593-Y595 VanDerWaalsContact C-N 3.25Å; K593-Y595 HydrophobicContact CB-CD1 4.04Å; K593-Y595 HydrophobicContact CB-CE1 3.42Å; K593-Y595 VanDerWaalsContact CB-CE1 3.42Å; K593-Y595 HydrophobicContact CB-CE2 4.18Å; K593-Y595 HydrophobicContact CD-CE1 3.89Å; K593-Y595 WeakPolarHBondContact CD-OH 3.46Å; K593-Y595 HydrophobicContact CG-CE1 4.3Å; K593-Y595 PolarHBondContact O-N 3.17Å; Y595-Y1036 WeakPolarHBondContact CD1-OH 3.46Å; Y595-Y1036 HydrophobicContact CE1-CE1 4.15Å; Y595-Y1036 AromaticContact CE1-CZ 3.74Å; Y595-Y1036 WeakPolarHBondContact CE1-OH 3.43Å
596	S	73.1	Confident	62.8	Low	38 Å²	38	103.5 Å²	103.5	27%	0.266	49%	0.493	S	S	.	.			trans	-55.1	144.5	166.9	55.3	0	0	0	0	111.1	Y598 A599 F600 E1032	S596-Y598 PolarHBondContact O-N 2.67Å; S596-A599 WeakPolarHBondContact O-CB 3.43Å; S596-A599 PolarHBondContact O-N 2.88Å; S596-A599 VanDerWaalsContact OG-CB 3.28Å; S596-A599 WeakPolarHBondContact OG-CB 3.43Å; S596-A599 PolarHBondContact OG-N 3.47Å; S596-F600 PolarHBondContact O-N 3.05Å; S596-E1032 WeakPolarHBondContact CB-OE2 3.39Å; S596-E1032 PolarHBondContact N-OE2 3.29Å; S596-E1032 PolarHBondContact OG-OE2 2.8Å
597	P	74.9	Confident	64.4	Low	116 Å²	116	101.5 Å²	101.5	75%	0.753	48%	0.483	S	S	*	.	H	α-helix	trans	-56.5	-27	176.7	-27.6	35.6	0	0	0	113.3	K601	P597-K601 WeakPolarHBondContact O-CB 3.37Å; P597-K601 PolarHBondContact O-N 2.72Å
598	Y	66.2	Low	66.2	Low	110 Å²	110	98.1 Å²	98.1	43%	0.431	47%	0.474	S	S	.	.	H	α-helix	trans	-67.6	-48.4	173.4	-165.7	-87.7	0	0	0	112.1	S596 F600 K601 F602 Y822 H1033	S596-Y598 PolarHBondContact O-N 2.67Å; Y598-F600 VanDerWaalsContact C-N 3.32Å; Y598-F600 PolarHBondContact O-N 2.74Å; Y598-K601 PolarHBondContact O-N 3.38Å; Y598-F602 WeakPolarHBondContact O-CB 3.41Å; Y598-F602 PolarHBondContact O-N 2.9Å; Y598-Y822 AromaticContact CE1-CZ 3.88Å; Y598-Y822 WeakPolarHBondContact CE1-OH 3.35Å; Y598-Y822 WeakPolarHBondContact OH-CE2 3.32Å; Y598-Y822 PolarHBondContact OH-OH 3.1Å; Y598-H1033 AromaticContact CD1-CE1 3.87Å; Y598-H1033 AromaticContact CE1-CE1 3.89Å
599	A	68.6	Low	68	Low	1 Å²	1	91.4 Å²	91.4	1%	0.008	45%	0.454	C	S	.	.	H	α-helix	trans	-61.2	-39.6	174.8	0	0	0	0	0	112.3	S596 F603 E1032 H1033 Y1036	S596-A599 WeakPolarHBondContact O-CB 3.43Å; S596-A599 PolarHBondContact O-N 2.88Å; S596-A599 VanDerWaalsContact OG-CB 3.28Å; S596-A599 WeakPolarHBondContact OG-CB 3.43Å; S596-A599 PolarHBondContact OG-N 3.47Å; A599-F603 WeakPolarHBondContact O-CB 3.32Å; A599-F603 PolarHBondContact O-N 2.71Å; A599-E1032 HydrophobicContact CB-CB 4.23Å; A599-H1033 HydrophobicContact CB-CB 3.84Å; A599-Y1036 HydrophobicContact CB-CE2 4.42Å
600	F	77.9	Confident	69.8	Low	116 Å²	116	87.1 Å²	87.1	51%	0.509	44%	0.435	S	S	.	.	H	α-helix	trans	-67	-41.2	174.2	-177.1	-101.6	0	0	0	112.5	S596 Y598 F603 M604	S596-F600 PolarHBondContact O-N 3.05Å; Y598-F600 VanDerWaalsContact C-N 3.32Å; Y598-F600 PolarHBondContact O-N 2.74Å; F600-F603 PolarHBondContact O-N 3.15Å; F600-M604 HydrophobicContact CD1-CG 4.17Å; F600-M604 HydrophobicContact CD2-CG 4.39Å; F600-M604 HydrophobicContact CE1-CG 3.66Å; F600-M604 HydrophobicContact CE2-CG 3.91Å; F600-M604 HydrophobicContact CE2-SD 4.19Å; F600-M604 HydrophobicContact CZ-CG 3.51Å; F600-M604 HydrophobicContact CZ-SD 3.94Å; F600-M604 WeakPolarHBondContact O-CB 3.4Å; F600-M604 WeakPolarHBondContact O-CG 3.38Å; F600-M604 PolarHBondContact O-N 3.38Å
601	K	78.7	Confident	71.6	Confident	92 Å²	92	85.6 Å²	85.6	40%	0.4	42%	0.421	S	S	.	.	H	α-helix	trans	-60.5	-51.3	174.3	-171.6	-167.8	-178.3	-118.4	0	111.1	P597 Y598 F603 M604 E605	P597-K601 WeakPolarHBondContact O-CB 3.37Å; P597-K601 PolarHBondContact O-N 2.72Å; Y598-K601 PolarHBondContact O-N 3.38Å; K601-F603 VanDerWaalsContact C-N 3.32Å; K601-F603 PolarHBondContact O-N 2.81Å; K601-M604 PolarHBondContact O-N 3.07Å; K601-M604 VanDerWaalsContact O-N 3.13Å; K601-E605 VanDerWaalsContact CE-CD 3.44Å; K601-E605 WeakPolarHBondContact CE-OE1 3.44Å; K601-E605 WeakPolarHBondContact CE-OE2 3.24Å; K601-E605 HydrophobicContact CG-CG 4.24Å; K601-E605 IonicContact NZ-OE1 3.55Å; K601-E605 PolarHBondContact NZ-OE1 2.89Å; K601-E605 IonicContact NZ-OE2 3.66Å; K601-E605 PolarHBondContact NZ-OE2 3.26Å; K601-E605 WeakPolarHBondContact O-CG 3.38Å; K601-E605 PolarHBondContact O-N 3.28Å
602	F	69.9	Low	73	Confident	5 Å²	5	81 Å²	81	2%	0.022	41%	0.409	C	S	.	.	H	α-helix	trans	-52.1	-50.8	176.2	171.3	-85.6	0	0	0	111.1	Y598 M604 E605 Q606 W816 Y822 H1033	Y598-F602 WeakPolarHBondContact O-CB 3.41Å; Y598-F602 PolarHBondContact O-N 2.9Å; F602-M604 PolarHBondContact O-N 2.83Å; F602-E605 PolarHBondContact O-N 3.01Å; F602-Q606 WeakPolarHBondContact O-CB 3.05Å; F602-Q606 PolarHBondContact O-N 3.14Å; F602-W816 AromaticContact CD2-CH2 3.6Å; F602-W816 HydrophobicContact CD2-CH2 3.6Å; F602-W816 AromaticContact CD2-CZ3 3.86Å; F602-W816 HydrophobicContact CD2-CZ3 3.86Å; F602-W816 AromaticContact CE2-CH2 3.51Å; F602-W816 HydrophobicContact CE2-CH2 3.51Å; F602-W816 AromaticContact CE2-CZ3 3.65Å; F602-W816 HydrophobicContact CE2-CZ3 3.65Å; F602-Y822 HydrophobicContact CD2-CE1 4.3Å; F602-Y822 WeakPolarHBondContact CD2-OH 3.32Å; F602-Y822 HydrophobicContact CE2-CE1 4.25Å; F602-H1033 HydrophobicContact CD1-CB 3.75Å; F602-H1033 AromaticContact CD1-CD2 3.97Å; F602-H1033 AromaticContact CD2-CD2 3.78Å; F602-H1033 HydrophobicContact CE1-CB 4.17Å; F602-H1033 AromaticContact CE2-CD2 3.96Å; F602-H1033 HydrophobicContact CG-CB 4.22Å; F602-H1033 AromaticContact CG-CD2 3.79Å
603	F	77.8	Confident	74.5	Confident	73 Å²	73	76.5 Å²	76.5	32%	0.32	38%	0.383	S	S	.	.	H	α-helix	trans	-59.2	-44.7	177.5	175.3	-94.5	0	0	0	112	A599 F600 K601 H607 Y1036	A599-F603 WeakPolarHBondContact O-CB 3.32Å; A599-F603 PolarHBondContact O-N 2.71Å; F600-F603 PolarHBondContact O-N 3.15Å; K601-F603 VanDerWaalsContact C-N 3.32Å; K601-F603 PolarHBondContact O-N 2.81Å; F603-H607 HydrophobicContact CE1-CB 4.41Å; F603-H607 HydrophobicContact CZ-CB 4.5Å; F603-H607 WeakPolarHBondContact O-CA 3.49Å; F603-H607 WeakPolarHBondContact O-CB 3.07Å; F603-H607 PolarHBondContact O-N 2.75Å; F603-Y1036 HydrophobicContact CD2-CG 4.35Å
604	M	80.9	Confident	75.7	Confident	70 Å²	70	71 Å²	71	35%	0.345	36%	0.362	S	S	.	.	H	α-helix	trans	-70.6	-40.5	-178.9	-74.1	-56.9	-49.5	0	0	113.7	F600 K601 F602 V608	F600-M604 HydrophobicContact CD1-CG 4.17Å; F600-M604 HydrophobicContact CD2-CG 4.39Å; F600-M604 HydrophobicContact CE1-CG 3.66Å; F600-M604 HydrophobicContact CE2-CG 3.91Å; F600-M604 HydrophobicContact CE2-SD 4.19Å; F600-M604 HydrophobicContact CZ-CG 3.51Å; F600-M604 HydrophobicContact CZ-SD 3.94Å; F600-M604 WeakPolarHBondContact O-CB 3.4Å; F600-M604 WeakPolarHBondContact O-CG 3.38Å; F600-M604 PolarHBondContact O-N 3.38Å; K601-M604 PolarHBondContact O-N 3.07Å; K601-M604 VanDerWaalsContact O-N 3.13Å; F602-M604 PolarHBondContact O-N 2.83Å; M604-V608 VanDerWaalsContact O-CG2 3.3Å; M604-V608 WeakPolarHBondContact O-CG2 3.49Å; M604-V608 PolarHBondContact O-N 2.57Å; M604-V608 VanDerWaalsContact O-N 3.11Å
605	E	79.8	Confident	77.1	Confident	78 Å²	78	73.2 Å²	73.2	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-60.8	-51.1	175.4	-71	-174.1	135.2	0	0	109.8	K601 F602 V608 E609 R830	K601-E605 VanDerWaalsContact CE-CD 3.44Å; K601-E605 WeakPolarHBondContact CE-OE1 3.44Å; K601-E605 WeakPolarHBondContact CE-OE2 3.24Å; K601-E605 HydrophobicContact CG-CG 4.24Å; K601-E605 IonicContact NZ-OE1 3.55Å; K601-E605 PolarHBondContact NZ-OE1 2.89Å; K601-E605 IonicContact NZ-OE2 3.66Å; K601-E605 PolarHBondContact NZ-OE2 3.26Å; K601-E605 WeakPolarHBondContact O-CG 3.38Å; K601-E605 PolarHBondContact O-N 3.28Å; F602-E605 PolarHBondContact O-N 3.01Å; E605-V608 PolarHBondContact O-N 2.87Å; E605-E609 PolarHBondContact O-N 2.7Å; E605-E609 VanDerWaalsContact O-N 3.14Å; E605-R830 VanDerWaalsContact CD-NH2 3.29Å; E605-R830 IonicContact OE1-NH2 3.6Å; E605-R830 PolarHBondContact OE1-NH2 3.21Å; E605-R830 IonicContact OE2-NH2 2.79Å; E605-R830 PolarHBondContact OE2-NH2 3.33Å
606	Q	71.3	Confident	78.2	Confident	11 Å²	11	73.3 Å²	73.3	5%	0.051	36%	0.358	C	S	.	.	H	α-helix	trans	-70.9	-35.1	-177.8	-165.4	65.6	79.7	0	0	113	F602 E609 N610 E1037	F602-Q606 WeakPolarHBondContact O-CB 3.05Å; F602-Q606 PolarHBondContact O-N 3.14Å; Q606-E609 PolarHBondContact NE2-OE2 2.85Å; Q606-E609 PolarHBondContact O-N 2.97Å; Q606-N610 WeakPolarHBondContact O-CB 3.44Å; Q606-N610 PolarHBondContact O-N 3.3Å; Q606-N610 PolarHBondContact O-ND2 3.06Å; Q606-E1037 WeakPolarHBondContact CG-OE1 3.22Å; Q606-E1037 WeakPolarHBondContact CG-OE2 3.39Å
607	H	78.4	Confident	78.7	Confident	82 Å²	82	75.5 Å²	75.5	38%	0.38	36%	0.364	S	S	.	.	H	α-helix	trans	-63.5	-42.3	174.6	178.2	73.7	0	0	0	111.9	F603 N610 V611	F603-H607 HydrophobicContact CE1-CB 4.41Å; F603-H607 HydrophobicContact CZ-CB 4.5Å; F603-H607 WeakPolarHBondContact O-CA 3.49Å; F603-H607 WeakPolarHBondContact O-CB 3.07Å; F603-H607 PolarHBondContact O-N 2.75Å; H607-N610 PolarHBondContact O-N 2.88Å; H607-V611 WeakPolarHBondContact O-CB 3.49Å; H607-V611 VanDerWaalsContact O-CG2 3.29Å; H607-V611 WeakPolarHBondContact O-CG2 3.44Å; H607-V611 PolarHBondContact O-N 3.18Å
608	V	83.9	Confident	79.2	Confident	73 Å²	73	73 Å²	73	44%	0.442	34%	0.342	S	S	.	.	H	α-helix	trans	-65.7	-44.6	177	169.4	0	0	0	0	110.7	M604 E605 N610 V611 I612	M604-V608 VanDerWaalsContact O-CG2 3.3Å; M604-V608 WeakPolarHBondContact O-CG2 3.49Å; M604-V608 PolarHBondContact O-N 2.57Å; M604-V608 VanDerWaalsContact O-N 3.11Å; E605-V608 PolarHBondContact O-N 2.87Å; V608-N610 PolarHBondContact O-N 2.78Å; V608-V611 PolarHBondContact O-N 3.14Å; V608-I612 HydrophobicContact CG1-CD1 3.86Å; V608-I612 WeakPolarHBondContact O-CG1 3.17Å; V608-I612 PolarHBondContact O-N 2.85Å
609	E	80.6	Confident	80.3	Confident	104 Å²	104	70.9 Å²	70.9	49%	0.486	34%	0.34	S	S	.	.	H	α-helix	trans	-57.6	-46.8	173.7	-176.2	173.6	-142.6	0	0	111.5	E605 Q606 V611 I612 K613	E605-E609 PolarHBondContact O-N 2.7Å; E605-E609 VanDerWaalsContact O-N 3.14Å; Q606-E609 PolarHBondContact NE2-OE2 2.85Å; Q606-E609 PolarHBondContact O-N 2.97Å; E609-V611 PolarHBondContact O-N 2.87Å; E609-I612 PolarHBondContact O-N 2.76Å; E609-K613 WeakPolarHBondContact O-CB 3.43Å; E609-K613 PolarHBondContact O-N 2.74Å
610	N	77.9	Confident	81.2	Confident	49 Å²	49	75.6 Å²	75.6	26%	0.262	37%	0.365	S	S	.	.	H	α-helix	trans	-65.8	-32.8	177.9	-84.7	-42.7	0	0	0	113.9	Q606 H607 V608 T614 E1037	Q606-N610 WeakPolarHBondContact O-CB 3.44Å; Q606-N610 PolarHBondContact O-N 3.3Å; Q606-N610 PolarHBondContact O-ND2 3.06Å; H607-N610 PolarHBondContact O-N 2.88Å; V608-N610 PolarHBondContact O-N 2.78Å; N610-T614 WeakPolarHBondContact O-CB 3.42Å; N610-T614 PolarHBondContact O-N 3.45Å; N610-T614 PolarHBondContact O-OG1 3.18Å; N610-E1037 PolarHBondContact ND2-OE1 3.13Å; N610-E1037 PolarHBondContact ND2-OE2 3.14Å
611	V	82.3	Confident	81.8	Confident	78 Å²	78	72 Å²	72	47%	0.473	35%	0.348	S	S	.	.	H	α-helix	trans	-67.5	-42.4	172.9	165.9	0	0	0	0	110.5	H607 V608 E609 Y615	H607-V611 WeakPolarHBondContact O-CB 3.49Å; H607-V611 VanDerWaalsContact O-CG2 3.29Å; H607-V611 WeakPolarHBondContact O-CG2 3.44Å; H607-V611 PolarHBondContact O-N 3.18Å; V608-V611 PolarHBondContact O-N 3.14Å; E609-V611 PolarHBondContact O-N 2.87Å; V611-Y615 WeakPolarHBondContact O-CB 3.39Å; V611-Y615 PolarHBondContact O-N 3.29Å
612	I	85.1	Confident	82.2	Confident	85 Å²	85	73.4 Å²	73.4	44%	0.436	35%	0.351	S	S	.	.	H	α-helix	trans	-65	-50	175.9	-66.6	165.5	0	0	0	110.7	V608 E609 T614 Y615 Q616	V608-I612 HydrophobicContact CG1-CD1 3.86Å; V608-I612 WeakPolarHBondContact O-CG1 3.17Å; V608-I612 PolarHBondContact O-N 2.85Å; E609-I612 PolarHBondContact O-N 2.76Å; I612-T614 VanDerWaalsContact C-N 3.33Å; I612-T614 PolarHBondContact O-N 2.85Å; I612-Y615 WeakPolarHBondContact O-CB 3.14Å; I612-Y615 PolarHBondContact O-N 3.36Å; I612-Y615 VanDerWaalsContact O-N 3.08Å; I612-Q616 HydrophobicContact CG2-CG 4.38Å; I612-Q616 WeakPolarHBondContact O-CG 3.49Å; I612-Q616 PolarHBondContact O-N 3.44Å
613	K	81.7	Confident	83.3	Confident	64 Å²	64	77.8 Å²	77.8	28%	0.278	37%	0.374	S	S	.	.	H	α-helix	trans	-57.8	-44.4	176.2	-172.1	170.1	-173.7	164.6	0	111.2	E609 Y615 Q616 Q617 E720	E609-K613 WeakPolarHBondContact O-CB 3.43Å; E609-K613 PolarHBondContact O-N 2.74Å; K613-Y615 PolarHBondContact O-N 2.65Å; K613-Q616 PolarHBondContact O-N 3.06Å; K613-Q617 WeakPolarHBondContact O-CB 3.29Å; K613-Q617 VanDerWaalsContact O-CG 3.27Å; K613-Q617 WeakPolarHBondContact O-CG 3.39Å; K613-Q617 PolarHBondContact O-N 3.37Å; K613-E720 IonicContact NZ-OE1 2.79Å; K613-E720 PolarHBondContact NZ-OE1 2.65Å; K613-E720 IonicContact NZ-OE2 3.58Å; K613-E720 PolarHBondContact NZ-OE2 2.67Å
614	T	81.2	Confident	83.9	Confident	29 Å²	29	79.1 Å²	79.1	18%	0.178	38%	0.381	C	S	.	.	H	α-helix	trans	-61.4	-42.7	174.5	-61.1	0	0	0	0	111.4	N610 I612 K618	N610-T614 WeakPolarHBondContact O-CB 3.42Å; N610-T614 PolarHBondContact O-N 3.45Å; N610-T614 PolarHBondContact O-OG1 3.18Å; I612-T614 VanDerWaalsContact C-N 3.33Å; I612-T614 PolarHBondContact O-N 2.85Å; T614-K618 VanDerWaalsContact O-CG 3.31Å; T614-K618 WeakPolarHBondContact O-CG 3.38Å; T614-K618 PolarHBondContact O-N 3.45Å; T614-K618 VanDerWaalsContact O-N 3.15Å
615	Y	84.6	Confident	84.4	Confident	160 Å²	160	77.1 Å²	77.1	63%	0.627	37%	0.372	S	S	*	.	H	α-helix	trans	-65.8	-47.1	177.9	175.7	-99.6	0	0	0	112.2	V611 I612 K613 Q617 K618 V619	V611-Y615 WeakPolarHBondContact O-CB 3.39Å; V611-Y615 PolarHBondContact O-N 3.29Å; I612-Y615 WeakPolarHBondContact O-CB 3.14Å; I612-Y615 PolarHBondContact O-N 3.36Å; I612-Y615 VanDerWaalsContact O-N 3.08Å; K613-Y615 PolarHBondContact O-N 2.65Å; Y615-Q617 VanDerWaalsContact C-N 3.35Å; Y615-Q617 PolarHBondContact O-N 2.99Å; Y615-K618 WeakPolarHBondContact O-CB 3.14Å; Y615-K618 PolarHBondContact O-N 3.21Å; Y615-K618 VanDerWaalsContact O-N 3.1Å; Y615-V619 HydrophobicContact CD1-CG2 4.31Å; Y615-V619 HydrophobicContact CE1-CG2 3.83Å; Y615-V619 HydrophobicContact CE2-CG2 4.18Å; Y615-V619 WeakPolarHBondContact O-CG2 3.39Å; Y615-V619 PolarHBondContact O-N 2.91Å
616	Q	87.1	Confident	84.9	Confident	106 Å²	106	75.4 Å²	75.4	50%	0.495	36%	0.364	S	S	.	.	H	α-helix	trans	-57.1	-46.4	175.3	-72	168.9	-26.9	0	0	111.4	I612 K613 K618 V619 N620	I612-Q616 HydrophobicContact CG2-CG 4.38Å; I612-Q616 WeakPolarHBondContact O-CG 3.49Å; I612-Q616 PolarHBondContact O-N 3.44Å; K613-Q616 PolarHBondContact O-N 3.06Å; Q616-K618 VanDerWaalsContact C-N 3.29Å; Q616-K618 PolarHBondContact O-N 2.95Å; Q616-V619 PolarHBondContact O-N 3.28Å; Q616-V619 VanDerWaalsContact O-N 3.15Å; Q616-N620 WeakPolarHBondContact O-CB 3.32Å; Q616-N620 VanDerWaalsContact O-CG 3.25Å; Q616-N620 PolarHBondContact O-N 3.01Å; Q616-N620 PolarHBondContact O-OD1 3.06Å
617	Q	83.6	Confident	85.9	Confident	83 Å²	83	79.7 Å²	79.7	39%	0.388	38%	0.384	S	S	.	.	H	α-helix	trans	-59.1	-36	175.5	-76.5	177.9	-14.2	0	0	113.3	K613 Y615 R621	K613-Q617 WeakPolarHBondContact O-CB 3.29Å; K613-Q617 VanDerWaalsContact O-CG 3.27Å; K613-Q617 WeakPolarHBondContact O-CG 3.39Å; K613-Q617 PolarHBondContact O-N 3.37Å; Y615-Q617 VanDerWaalsContact C-N 3.35Å; Y615-Q617 PolarHBondContact O-N 2.99Å; Q617-R621 WeakPolarHBondContact O-CB 3.2Å; Q617-R621 PolarHBondContact O-N 2.87Å
618	K	85.8	Confident	86.5	Confident	64 Å²	64	80.2 Å²	80.2	28%	0.278	39%	0.386	S	S	.	.	H	α-helix	trans	-67.9	-43	174.2	-68.8	-179.5	-173.2	-132.8	0	112.2	T614 Y615 Q616 R622 E650 N654	T614-K618 VanDerWaalsContact O-CG 3.31Å; T614-K618 WeakPolarHBondContact O-CG 3.38Å; T614-K618 PolarHBondContact O-N 3.45Å; T614-K618 VanDerWaalsContact O-N 3.15Å; Y615-K618 WeakPolarHBondContact O-CB 3.14Å; Y615-K618 PolarHBondContact O-N 3.21Å; Y615-K618 VanDerWaalsContact O-N 3.1Å; Q616-K618 VanDerWaalsContact C-N 3.29Å; Q616-K618 PolarHBondContact O-N 2.95Å; K618-R622 PolarHBondContact O-N 3.1Å; K618-E650 WeakPolarHBondContact CD-OE2 3.42Å; K618-E650 WeakPolarHBondContact CE-OE2 3.32Å; K618-E650 WeakPolarHBondContact CG-OE1 3.22Å; K618-E650 IonicContact NZ-OE2 2.7Å; K618-E650 PolarHBondContact NZ-OE2 2.99Å; K618-N654 VanDerWaalsContact NZ-CG 3.28Å; K618-N654 PolarHBondContact NZ-ND2 2.93Å; K618-N654 PolarHBondContact NZ-OD1 3.28Å
619	V	88.6	Confident	86.9	Confident	65 Å²	65	76.9 Å²	76.9	39%	0.394	37%	0.366	S	S	.	.	H	α-helix	trans	-63.4	-44.2	176.4	174	0	0	0	0	110.2	Y615 Q616 R622 L623	Y615-V619 HydrophobicContact CD1-CG2 4.31Å; Y615-V619 HydrophobicContact CE1-CG2 3.83Å; Y615-V619 HydrophobicContact CE2-CG2 4.18Å; Y615-V619 WeakPolarHBondContact O-CG2 3.39Å; Y615-V619 PolarHBondContact O-N 2.91Å; Q616-V619 PolarHBondContact O-N 3.28Å; Q616-V619 VanDerWaalsContact O-N 3.15Å; V619-R622 PolarHBondContact O-N 3.08Å; V619-L623 WeakPolarHBondContact O-CB 3.47Å; V619-L623 PolarHBondContact O-N 3.2Å
620	N	88.8	Confident	87.4	Confident	101 Å²	101	75.3 Å²	75.3	54%	0.54	37%	0.371	S	S	.	.	H	α-helix	trans	-64.4	-47.3	178.9	-68	8	0	0	0	111.9	Q616 R622 L623 Q624	Q616-N620 WeakPolarHBondContact O-CB 3.32Å; Q616-N620 VanDerWaalsContact O-CG 3.25Å; Q616-N620 PolarHBondContact O-N 3.01Å; Q616-N620 PolarHBondContact O-OD1 3.06Å; N620-R622 VanDerWaalsContact C-N 3.29Å; N620-R622 PolarHBondContact O-N 3.42Å; N620-L623 PolarHBondContact O-N 3.3Å; N620-Q624 WeakPolarHBondContact O-CB 3.32Å; N620-Q624 PolarHBondContact O-N 2.83Å
621	R	89.3	Confident	88.1	Confident	41 Å²	41	81.2 Å²	81.2	16%	0.155	39%	0.394	C	S	.	.	H	α-helix	trans	-58.9	-38.5	174.4	-81.2	-169.2	-66.7	-82.1	-0.9	112.6	Q617 L625 E650	Q617-R621 WeakPolarHBondContact O-CB 3.2Å; Q617-R621 PolarHBondContact O-N 2.87Å; R621-L625 WeakPolarHBondContact O-CB 3.31Å; R621-L625 PolarHBondContact O-N 3.45Å; R621-L625 VanDerWaalsContact O-N 3.13Å; R621-E650 IonicContact CZ-OE1 3.24Å; R621-E650 IonicContact NE-OE1 2.79Å; R621-E650 PolarHBondContact NE-OE1 2.94Å; R621-E650 IonicContact NH2-OE1 2.79Å; R621-E650 PolarHBondContact NH2-OE1 2.76Å
622	R	89	Confident	88.5	Confident	121 Å²	121	80.8 Å²	80.8	46%	0.457	40%	0.399	S	S	.	.	H	α-helix	trans	-65.5	-49.2	173.7	-176.5	-177.5	172.9	-164.9	-2.9	111.1	K618 V619 N620 Q624 L625 E626 L646	K618-R622 PolarHBondContact O-N 3.1Å; V619-R622 PolarHBondContact O-N 3.08Å; N620-R622 VanDerWaalsContact C-N 3.29Å; N620-R622 PolarHBondContact O-N 3.42Å; R622-Q624 VanDerWaalsContact C-N 3.35Å; R622-Q624 PolarHBondContact O-N 2.99Å; R622-L625 PolarHBondContact O-N 3.21Å; R622-E626 HydrophobicContact CG-CG 4.07Å; R622-E626 IonicContact CZ-OE1 3.57Å; R622-E626 VanDerWaalsContact CZ-OE1 3.31Å; R622-E626 IonicContact NE-OE1 2.66Å; R622-E626 PolarHBondContact NE-OE1 3.4Å; R622-E626 IonicContact NH2-OE1 3.1Å; R622-E626 PolarHBondContact NH2-OE1 2.81Å; R622-E626 WeakPolarHBondContact O-CG 3.48Å; R622-E626 PolarHBondContact O-N 2.85Å; R622-L646 HydrophobicContact CB-CD2 4.18Å
623	L	91.3	Very high	88.8	Confident	96 Å²	96	79.9 Å²	79.9	50%	0.503	41%	0.41	S	S	.	.	H	α-helix	trans	-61.6	-42.5	-178.1	-179.9	61	0	0	0	111.9	V619 N620 E626 Q627	V619-L623 WeakPolarHBondContact O-CB 3.47Å; V619-L623 PolarHBondContact O-N 3.2Å; N620-L623 PolarHBondContact O-N 3.3Å; L623-E626 PolarHBondContact O-N 2.81Å; L623-Q627 VanDerWaalsContact O-CG 3.29Å; L623-Q627 WeakPolarHBondContact O-CG 3.33Å; L623-Q627 PolarHBondContact O-N 3Å
624	Q	90.5	Very high	89.3	Confident	102 Å²	102	79.1 Å²	79.1	48%	0.477	41%	0.409	S	S	.	.	H	α-helix	trans	-56.2	-50.5	172.3	175.7	-180	-2.3	0	0	110.9	N620 R622 E626 Q627 E628	N620-Q624 WeakPolarHBondContact O-CB 3.32Å; N620-Q624 PolarHBondContact O-N 2.83Å; R622-Q624 VanDerWaalsContact C-N 3.35Å; R622-Q624 PolarHBondContact O-N 2.99Å; Q624-E626 PolarHBondContact O-N 2.91Å; Q624-Q627 WeakPolarHBondContact O-CB 3.22Å; Q624-Q627 PolarHBondContact O-N 3.14Å; Q624-Q627 VanDerWaalsContact O-N 3.14Å; Q624-E628 HydrophobicContact CG-CG 4.44Å; Q624-E628 WeakPolarHBondContact CG-OE1 3.3Å; Q624-E628 PolarHBondContact NE2-OE1 3.43Å; Q624-E628 WeakPolarHBondContact O-CG 3.15Å; Q624-E628 PolarHBondContact O-N 3.44Å
625	L	91.1	Very high	89.9	Confident	28 Å²	28	81 Å²	81	15%	0.147	42%	0.423	C	S	.	.	H	α-helix	trans	-62.2	-42.5	-179.4	-174.5	64.2	0	0	0	112.4	R621 R622 Q627 E628 M629 M642 L646	R621-L625 WeakPolarHBondContact O-CB 3.31Å; R621-L625 PolarHBondContact O-N 3.45Å; R621-L625 VanDerWaalsContact O-N 3.13Å; R622-L625 PolarHBondContact O-N 3.21Å; L625-Q627 VanDerWaalsContact C-N 3.28Å; L625-Q627 PolarHBondContact O-N 3.18Å; L625-E628 PolarHBondContact O-N 3.42Å; L625-M629 HydrophobicContact CD1-CG 4.34Å; L625-M629 HydrophobicContact CD1-SD 4.33Å; L625-M629 HydrophobicContact CD2-SD 4.31Å; L625-M629 HydrophobicContact CG-CG 4.32Å; L625-M629 HydrophobicContact CG-SD 3.82Å; L625-M629 WeakPolarHBondContact O-CB 3.3Å; L625-M629 WeakPolarHBondContact O-CG 3.41Å; L625-M629 PolarHBondContact O-N 2.85Å; L625-M642 HydrophobicContact CD1-CG 3.74Å; L625-M642 HydrophobicContact CD2-CG 4.09Å; L625-M642 HydrophobicContact CG-CG 4.27Å; L625-L646 HydrophobicContact CB-CD2 4.36Å; L625-L646 HydrophobicContact CD2-CB 3.68Å; L625-L646 HydrophobicContact CD2-CD2 3.66Å; L625-L646 HydrophobicContact CD2-CG 4.23Å
626	E	91.5	Very high	90.3	Very high	42 Å²	42	79 Å²	79	20%	0.196	42%	0.419	C	S	.	.	H	α-helix	trans	-65.8	-32.7	177.8	-52.1	-98.8	-155.8	0	0	110.9	R622 L623 Q624 M629 A630 R643	R622-E626 HydrophobicContact CG-CG 4.07Å; R622-E626 IonicContact CZ-OE1 3.57Å; R622-E626 VanDerWaalsContact CZ-OE1 3.31Å; R622-E626 IonicContact NE-OE1 2.66Å; R622-E626 PolarHBondContact NE-OE1 3.4Å; R622-E626 IonicContact NH2-OE1 3.1Å; R622-E626 PolarHBondContact NH2-OE1 2.81Å; R622-E626 WeakPolarHBondContact O-CG 3.48Å; R622-E626 PolarHBondContact O-N 2.85Å; L623-E626 PolarHBondContact O-N 2.81Å; Q624-E626 PolarHBondContact O-N 2.91Å; E626-M629 WeakPolarHBondContact OE2-CE 3.47Å; E626-A630 VanDerWaalsContact O-CB 3.26Å; E626-A630 WeakPolarHBondContact O-CB 3.28Å; E626-A630 PolarHBondContact O-N 3.25Å; E626-R643 IonicContact OE1-NE 2.7Å; E626-R643 PolarHBondContact OE1-NE 2.99Å; E626-R643 IonicContact OE2-CZ 2.75Å; E626-R643 VanDerWaalsContact OE2-CZ 3.26Å; E626-R643 IonicContact OE2-NE 2.81Å; E626-R643 PolarHBondContact OE2-NE 2.71Å; E626-R643 IonicContact OE2-NH2 3.64Å; E626-R643 PolarHBondContact OE2-NH2 3.47Å
627	Q	91.9	Very high	90.5	Very high	100 Å²	100	77.5 Å²	77.5	47%	0.467	43%	0.425	S	S	.	.	H	α-helix	trans	-70.2	-41.5	172.2	-72.3	174.6	10.3	0	0	113	L623 Q624 L625 A630 K631	L623-Q627 VanDerWaalsContact O-CG 3.29Å; L623-Q627 WeakPolarHBondContact O-CG 3.33Å; L623-Q627 PolarHBondContact O-N 3Å; Q624-Q627 WeakPolarHBondContact O-CB 3.22Å; Q624-Q627 PolarHBondContact O-N 3.14Å; Q624-Q627 VanDerWaalsContact O-N 3.14Å; L625-Q627 VanDerWaalsContact C-N 3.28Å; L625-Q627 PolarHBondContact O-N 3.18Å; Q627-A630 PolarHBondContact O-N 2.69Å; Q627-K631 WeakPolarHBondContact O-CB 3.31Å; Q627-K631 VanDerWaalsContact O-CG 3.27Å; Q627-K631 WeakPolarHBondContact O-CG 3.35Å; Q627-K631 PolarHBondContact O-N 2.77Å
628	E	91.1	Very high	90.9	Very high	93 Å²	93	78.2 Å²	78.2	44%	0.435	43%	0.428	S	S	.	.	H	α-helix	trans	-65.9	-45.1	176.9	-73.8	167.1	-175.6	0	0	111	Q624 L625 A630 K631 A632	Q624-E628 HydrophobicContact CG-CG 4.44Å; Q624-E628 WeakPolarHBondContact CG-OE1 3.3Å; Q624-E628 PolarHBondContact NE2-OE1 3.43Å; Q624-E628 WeakPolarHBondContact O-CG 3.15Å; Q624-E628 PolarHBondContact O-N 3.44Å; L625-E628 PolarHBondContact O-N 3.42Å; E628-A630 VanDerWaalsContact C-N 3.33Å; E628-A630 PolarHBondContact O-N 2.85Å; E628-K631 PolarHBondContact O-N 2.87Å; E628-A632 WeakPolarHBondContact O-CB 3.22Å; E628-A632 PolarHBondContact O-N 2.8Å
629	M	92.9	Very high	91.1	Very high	3 Å²	3	77.1 Å²	77.1	2%	0.015	42%	0.424	C	S	.	.	H	α-helix	trans	-59.9	-40.7	173.9	-71	174.3	2.2	0	0	112.4	L625 E626 G633 L634 Q639 M642 R643	L625-M629 HydrophobicContact CD1-CG 4.34Å; L625-M629 HydrophobicContact CD1-SD 4.33Å; L625-M629 HydrophobicContact CD2-SD 4.31Å; L625-M629 HydrophobicContact CG-CG 4.32Å; L625-M629 HydrophobicContact CG-SD 3.82Å; L625-M629 WeakPolarHBondContact O-CB 3.3Å; L625-M629 WeakPolarHBondContact O-CG 3.41Å; L625-M629 PolarHBondContact O-N 2.85Å; E626-M629 WeakPolarHBondContact OE2-CE 3.47Å; M629-G633 PolarHBondContact O-N 3.4Å; M629-L634 HydrophobicContact CB-CD1 4.39Å; M629-L634 HydrophobicContact CG-CD1 4.14Å; M629-L634 PolarHBondContact O-N 3.35Å; M629-Q639 HydrophobicContact CB-CG 4.31Å; M629-Q639 HydrophobicContact CE-CB 3.57Å; M629-Q639 HydrophobicContact CE-CG 3.84Å; M629-Q639 HydrophobicContact SD-CB 4.39Å; M629-M642 HydrophobicContact CG-CB 4.48Å; M629-M642 HydrophobicContact CG-CG 4.42Å; M629-M642 HydrophobicContact SD-CB 3.72Å; M629-M642 HydrophobicContact SD-CG 4Å; M629-R643 HydrophobicContact CE-CG 4.15Å
630	A	90.6	Very high	91.3	Very high	71 Å²	71	77.2 Å²	77.2	59%	0.587	42%	0.42	S	S	*	.	H	α-helix	trans	-68.8	-41.8	176.4	0	0	0	0	0	112.6	E626 Q627 E628 A632 G633	E626-A630 VanDerWaalsContact O-CB 3.26Å; E626-A630 WeakPolarHBondContact O-CB 3.28Å; E626-A630 PolarHBondContact O-N 3.25Å; Q627-A630 PolarHBondContact O-N 2.69Å; E628-A630 VanDerWaalsContact C-N 3.33Å; E628-A630 PolarHBondContact O-N 2.85Å; A630-A632 VanDerWaalsContact C-N 3.31Å; A630-A632 PolarHBondContact O-N 3.1Å; A630-G633 PolarHBondContact O-N 3.46Å
631	K	92.9	Very high	91.4	Very high	174 Å²	174	78.4 Å²	78.4	76%	0.757	42%	0.423	S	S	*	.	H	α-helix	trans	-62.3	-37.5	174.4	-75.8	170.3	179.2	178.7	0	112.4	Q627 E628 G633	Q627-K631 WeakPolarHBondContact O-CB 3.31Å; Q627-K631 VanDerWaalsContact O-CG 3.27Å; Q627-K631 WeakPolarHBondContact O-CG 3.35Å; Q627-K631 PolarHBondContact O-N 2.77Å; E628-K631 PolarHBondContact O-N 2.87Å; K631-G633 VanDerWaalsContact C-N 3.29Å; K631-G633 PolarHBondContact O-N 3.1Å
632	A	90.9	Very high	91.4	Very high	68 Å²	68	80.1 Å²	80.1	56%	0.562	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-7	178.4	0	0	0	0	0	114	E628 A630 L634	E628-A632 WeakPolarHBondContact O-CB 3.22Å; E628-A632 PolarHBondContact O-N 2.8Å; A630-A632 VanDerWaalsContact C-N 3.31Å; A630-A632 PolarHBondContact O-N 3.1Å; A632-L634 HydrophobicContact CB-CD1 4.45Å; A632-L634 HydrophobicContact CB-CD2 4.34Å; A632-L634 HydrophobicContact CB-CG 3.94Å; A632-L634 PolarHBondContact O-N 3.01Å
633	G	90.6	Very high	91.6	Very high	66 Å²	66	76.1 Å²	76.1	68%	0.68	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	19.8	177	0	0	0	0	0	115.1	M629 A630 K631	M629-G633 PolarHBondContact O-N 3.4Å; A630-G633 PolarHBondContact O-N 3.46Å; K631-G633 VanDerWaalsContact C-N 3.29Å; K631-G633 PolarHBondContact O-N 3.1Å
634	L	92.3	Very high	91.5	Very high	49 Å²	49	77.2 Å²	77.2	26%	0.257	42%	0.419	S	S	.	.			trans	-60	145.5	-173.7	-62.7	178.4	0	0	0	112.4	M629 A632 E638 Q639	M629-L634 HydrophobicContact CB-CD1 4.39Å; M629-L634 HydrophobicContact CG-CD1 4.14Å; M629-L634 PolarHBondContact O-N 3.35Å; A632-L634 HydrophobicContact CB-CD1 4.45Å; A632-L634 HydrophobicContact CB-CD2 4.34Å; A632-L634 HydrophobicContact CB-CG 3.94Å; A632-L634 PolarHBondContact O-N 3.01Å; L634-E638 HydrophobicContact CB-CB 4.12Å; L634-Q639 HydrophobicContact CB-CG 4.06Å; L634-Q639 PolarHBondContact O-NE2 3.11Å
635	C	92.9	Very high	91.5	Very high	69 Å²	69	75.7 Å²	75.7	47%	0.466	41%	0.413	S	S	.	.			trans	-72.1	157	177	79.7	0	0	0	0	111.5	A637 E638 Q639	C635-A637 PolarHBondContact O-N 2.94Å; C635-A637 VanDerWaalsContact O-N 3.07Å; C635-E638 PolarHBondContact N-OE2 2.87Å; C635-E638 WeakPolarHBondContact O-CB 3.43Å; C635-E638 PolarHBondContact O-N 2.95Å; C635-E638 PolarHBondContact SG-OE2 3.44Å; C635-Q639 WeakPolarHBondContact O-CG 3.4Å; C635-Q639 PolarHBondContact O-N 2.7Å
636	E	92.8	Very high	91.3	Very high	117 Å²	117	75.5 Å²	75.5	55%	0.547	41%	0.412	S	S	.	.	H	α-helix	trans	-55.5	-33.1	-173.8	-123	-66.6	122.3	0	0	113.3	Q639 E640 R643	E636-Q639 PolarHBondContact O-N 2.59Å; E636-E640 VanDerWaalsContact O-CB 3.26Å; E636-E640 WeakPolarHBondContact O-CB 3.2Å; E636-E640 PolarHBondContact O-N 3.47Å; E636-R643 IonicContact OE1-CZ 3.14Å; E636-R643 IonicContact OE1-NH1 3.26Å; E636-R643 PolarHBondContact OE1-NH1 2.79Å; E636-R643 IonicContact OE1-NH2 2.64Å
637	A	91.6	Very high	91.1	Very high	75 Å²	75	79.7 Å²	79.7	62%	0.62	43%	0.427	S	S	*	.	H	α-helix	trans	-65.7	-40.4	175.7	0	0	0	0	0	113	C635 Q641	C635-A637 PolarHBondContact O-N 2.94Å; C635-A637 VanDerWaalsContact O-N 3.07Å; A637-Q641 WeakPolarHBondContact O-CB 3.46Å; A637-Q641 PolarHBondContact O-N 3.27Å
638	E	91.5	Very high	90.9	Very high	97 Å²	97	79.8 Å²	79.8	45%	0.453	43%	0.428	S	S	.	.	H	α-helix	trans	-71.7	-41.5	175.6	-66	165.8	129.6	0	0	111.1	L634 C635 E640 Q641 M642	L634-E638 HydrophobicContact CB-CB 4.12Å; C635-E638 PolarHBondContact N-OE2 2.87Å; C635-E638 WeakPolarHBondContact O-CB 3.43Å; C635-E638 PolarHBondContact O-N 2.95Å; C635-E638 PolarHBondContact SG-OE2 3.44Å; E638-E640 VanDerWaalsContact C-N 3.34Å; E638-E640 PolarHBondContact O-N 3.47Å; E638-Q641 PolarHBondContact O-N 3.21Å; E638-M642 WeakPolarHBondContact O-CB 3.39Å; E638-M642 PolarHBondContact O-N 3.32Å
639	Q	90.6	Very high	90.5	Very high	41 Å²	41	80.6 Å²	80.6	19%	0.192	43%	0.43	C	S	.	.	H	α-helix	trans	-55.8	-49.5	173.3	-67.6	-168.9	28	0	0	110.9	M629 L634 C635 E636 M642 R643	M629-Q639 HydrophobicContact CB-CG 4.31Å; M629-Q639 HydrophobicContact CE-CB 3.57Å; M629-Q639 HydrophobicContact CE-CG 3.84Å; M629-Q639 HydrophobicContact SD-CB 4.39Å; L634-Q639 HydrophobicContact CB-CG 4.06Å; L634-Q639 PolarHBondContact O-NE2 3.11Å; C635-Q639 WeakPolarHBondContact O-CG 3.4Å; C635-Q639 PolarHBondContact O-N 2.7Å; E636-Q639 PolarHBondContact O-N 2.59Å; Q639-M642 PolarHBondContact O-N 3.39Å; Q639-R643 VanDerWaalsContact O-CG 3.32Å; Q639-R643 WeakPolarHBondContact O-CG 3.37Å; Q639-R643 PolarHBondContact O-N 3.47Å
640	E	92.4	Very high	90.1	Very high	67 Å²	67	81.5 Å²	81.5	31%	0.313	43%	0.434	S	S	.	.	H	α-helix	trans	-70.4	-31.3	179.9	176.1	51.8	-157.2	0	0	112.7	E636 E638 K644	E636-E640 VanDerWaalsContact O-CB 3.26Å; E636-E640 WeakPolarHBondContact O-CB 3.2Å; E636-E640 PolarHBondContact O-N 3.47Å; E638-E640 VanDerWaalsContact C-N 3.34Å; E638-E640 PolarHBondContact O-N 3.47Å; E640-K644 VanDerWaalsContact CG-NZ 3.27Å; E640-K644 WeakPolarHBondContact O-CB 3.39Å; E640-K644 VanDerWaalsContact O-CG 3.3Å; E640-K644 WeakPolarHBondContact O-CG 3.01Å; E640-K644 PolarHBondContact O-N 3.01Å; E640-K644 IonicContact OE1-NZ 2.7Å; E640-K644 PolarHBondContact OE1-NZ 2.86Å
641	Q	92.4	Very high	89.8	Confident	127 Å²	127	80.6 Å²	80.6	59%	0.593	42%	0.423	S	S	*	.	H	α-helix	trans	-63.5	-42.8	168	176.8	169.1	-37.1	0	0	111.6	A637 E638 K644 I645	A637-Q641 WeakPolarHBondContact O-CB 3.46Å; A637-Q641 PolarHBondContact O-N 3.27Å; E638-Q641 PolarHBondContact O-N 3.21Å; Q641-K644 WeakPolarHBondContact O-CB 3.14Å; Q641-K644 PolarHBondContact O-N 2.93Å; Q641-I645 HydrophobicContact CG-CD1 4.27Å; Q641-I645 WeakPolarHBondContact O-CG1 3.41Å; Q641-I645 PolarHBondContact O-N 3.05Å
642	M	88.8	Confident	89.2	Confident	76 Å²	76	75.8 Å²	75.8	37%	0.374	41%	0.406	S	S	.	.	H	α-helix	trans	-70.8	-38.5	-179.6	-162.3	66.8	75.7	0	0	112	L625 M629 E638 Q639 K644 I645 L646	L625-M642 HydrophobicContact CD1-CG 3.74Å; L625-M642 HydrophobicContact CD2-CG 4.09Å; L625-M642 HydrophobicContact CG-CG 4.27Å; M629-M642 HydrophobicContact CG-CB 4.48Å; M629-M642 HydrophobicContact CG-CG 4.42Å; M629-M642 HydrophobicContact SD-CB 3.72Å; M629-M642 HydrophobicContact SD-CG 4Å; E638-M642 WeakPolarHBondContact O-CB 3.39Å; E638-M642 PolarHBondContact O-N 3.32Å; Q639-M642 PolarHBondContact O-N 3.39Å; M642-K644 PolarHBondContact O-N 3.14Å; M642-I645 WeakPolarHBondContact O-CB 3.39Å; M642-I645 PolarHBondContact O-N 3.09Å; M642-I645 HydrophobicContact SD-CD1 4.2Å; M642-L646 PolarHBondContact O-N 2.79Å
643	R	92.2	Very high	88.5	Confident	37 Å²	37	73.5 Å²	73.5	14%	0.14	38%	0.383	C	S	.	.	H	α-helix	trans	-56.3	-47.5	168	-71.1	173.5	-170.3	124.9	10	111.3	E626 M629 E636 Q639 I645 L646 Y647	E626-R643 IonicContact OE1-NE 2.7Å; E626-R643 PolarHBondContact OE1-NE 2.99Å; E626-R643 IonicContact OE2-CZ 2.75Å; E626-R643 VanDerWaalsContact OE2-CZ 3.26Å; E626-R643 IonicContact OE2-NE 2.81Å; E626-R643 PolarHBondContact OE2-NE 2.71Å; E626-R643 IonicContact OE2-NH2 3.64Å; E626-R643 PolarHBondContact OE2-NH2 3.47Å; M629-R643 HydrophobicContact CE-CG 4.15Å; E636-R643 IonicContact OE1-CZ 3.14Å; E636-R643 IonicContact OE1-NH1 3.26Å; E636-R643 PolarHBondContact OE1-NH1 2.79Å; E636-R643 IonicContact OE1-NH2 2.64Å; Q639-R643 VanDerWaalsContact O-CG 3.32Å; Q639-R643 WeakPolarHBondContact O-CG 3.37Å; Q639-R643 PolarHBondContact O-N 3.47Å; R643-I645 VanDerWaalsContact C-N 3.34Å; R643-I645 PolarHBondContact O-N 3.17Å; R643-L646 PolarHBondContact O-N 3.05Å; R643-Y647 HydrophobicContact CB-CE2 4.25Å; R643-Y647 WeakPolarHBondContact O-CD2 3.44Å; R643-Y647 PolarHBondContact O-N 2.85Å
644	K	90.9	Very high	87.9	Confident	119 Å²	119	72.6 Å²	72.6	52%	0.517	36%	0.363	S	S	.	.	H	α-helix	trans	-57.5	-42.4	174.4	-77.3	176.4	174.9	74.7	0	112.3	E640 Q641 M642 Y647 Q648	E640-K644 VanDerWaalsContact CG-NZ 3.27Å; E640-K644 WeakPolarHBondContact O-CB 3.39Å; E640-K644 VanDerWaalsContact O-CG 3.3Å; E640-K644 WeakPolarHBondContact O-CG 3.01Å; E640-K644 PolarHBondContact O-N 3.01Å; E640-K644 IonicContact OE1-NZ 2.7Å; E640-K644 PolarHBondContact OE1-NZ 2.86Å; Q641-K644 WeakPolarHBondContact O-CB 3.14Å; Q641-K644 PolarHBondContact O-N 2.93Å; M642-K644 PolarHBondContact O-N 3.14Å; K644-Y647 PolarHBondContact O-N 2.84Å; K644-Q648 WeakPolarHBondContact O-CB 3.49Å; K644-Q648 PolarHBondContact O-N 3.16Å
645	I	89.1	Confident	87.2	Confident	71 Å²	71	76.1 Å²	76.1	36%	0.364	37%	0.372	S	S	.	.	H	α-helix	trans	-61.2	-45	176.3	-69.5	165.1	0	0	0	110.8	Q641 M642 R643 Q648 K649	Q641-I645 HydrophobicContact CG-CD1 4.27Å; Q641-I645 WeakPolarHBondContact O-CG1 3.41Å; Q641-I645 PolarHBondContact O-N 3.05Å; M642-I645 WeakPolarHBondContact O-CB 3.39Å; M642-I645 PolarHBondContact O-N 3.09Å; M642-I645 HydrophobicContact SD-CD1 4.2Å; R643-I645 VanDerWaalsContact C-N 3.34Å; R643-I645 PolarHBondContact O-N 3.17Å; I645-Q648 PolarHBondContact O-N 2.97Å; I645-K649 HydrophobicContact CG2-CD 4.41Å; I645-K649 WeakPolarHBondContact O-CG 3.31Å; I645-K649 PolarHBondContact O-N 3.18Å
646	L	88.3	Confident	86.3	Confident	24 Å²	24	75.8 Å²	75.8	13%	0.126	37%	0.366	C	S	.	.	H	α-helix	trans	-62.4	-44.7	175.7	179.8	62.1	0	0	0	112.1	R622 L625 M642 R643 Q648 K649 E650	R622-L646 HydrophobicContact CB-CD2 4.18Å; L625-L646 HydrophobicContact CB-CD2 4.36Å; L625-L646 HydrophobicContact CD2-CB 3.68Å; L625-L646 HydrophobicContact CD2-CD2 3.66Å; L625-L646 HydrophobicContact CD2-CG 4.23Å; M642-L646 PolarHBondContact O-N 2.79Å; R643-L646 PolarHBondContact O-N 3.05Å; L646-Q648 VanDerWaalsContact C-N 3.29Å; L646-Q648 PolarHBondContact O-N 3.45Å; L646-K649 PolarHBondContact O-N 2.68Å; L646-E650 WeakPolarHBondContact O-CB 3.46Å; L646-E650 PolarHBondContact O-N 2.75Å
647	Y	87.3	Confident	85.3	Confident	129 Å²	129	75.7 Å²	75.7	51%	0.506	36%	0.364	S	S	.	.	H	α-helix	trans	-62	-35.4	175.7	-71	-54.5	0	0	0	112.5	R643 K644 S651	R643-Y647 HydrophobicContact CB-CE2 4.25Å; R643-Y647 WeakPolarHBondContact O-CD2 3.44Å; R643-Y647 PolarHBondContact O-N 2.85Å; K644-Y647 PolarHBondContact O-N 2.84Å; Y647-S651 VanDerWaalsContact O-CB 3.24Å; Y647-S651 WeakPolarHBondContact O-CB 3.47Å; Y647-S651 PolarHBondContact O-N 3.31Å
648	Q	86.3	Confident	84.3	Confident	102 Å²	102	81.1 Å²	81.1	48%	0.477	37%	0.368	S	S	.	.	H	α-helix	trans	-71.7	-42.2	175.8	-172.7	57.9	48	0	0	112.1	K644 I645 L646 S651 N652	K644-Q648 WeakPolarHBondContact O-CB 3.49Å; K644-Q648 PolarHBondContact O-N 3.16Å; I645-Q648 PolarHBondContact O-N 2.97Å; L646-Q648 VanDerWaalsContact C-N 3.29Å; L646-Q648 PolarHBondContact O-N 3.45Å; Q648-S651 PolarHBondContact O-N 3.1Å; Q648-N652 PolarHBondContact NE2-ND2 3.16Å; Q648-N652 PolarHBondContact NE2-OD1 3.27Å; Q648-N652 VanDerWaalsContact NE2-OD1 3.07Å; Q648-N652 WeakPolarHBondContact O-CB 3.35Å; Q648-N652 PolarHBondContact O-N 3.01Å
649	K	83	Confident	83.7	Confident	111 Å²	111	79.2 Å²	79.2	48%	0.483	37%	0.369	S	S	.	.	H	α-helix	trans	-58.7	-48.2	172.1	-75	-174.4	177.7	-172.6	0	110.9	I645 L646 N652 Y653 F1044	I645-K649 HydrophobicContact CG2-CD 4.41Å; I645-K649 WeakPolarHBondContact O-CG 3.31Å; I645-K649 PolarHBondContact O-N 3.18Å; L646-K649 PolarHBondContact O-N 2.68Å; K649-N652 PolarHBondContact O-N 3.43Å; K649-Y653 PolarHBondContact O-N 3.48Å; K649-F1044 HydrophobicContact CD-CE1 4.48Å
650	E	84.9	Confident	83.2	Confident	21 Å²	21	83.9 Å²	83.9	10%	0.098	39%	0.388	C	S	.	.	H	α-helix	trans	-57.4	-52.5	172.2	-85	-68.6	154.2	0	0	112	K618 R621 L646 N652 Y653 N654 F1043	K618-E650 WeakPolarHBondContact CD-OE2 3.42Å; K618-E650 WeakPolarHBondContact CE-OE2 3.32Å; K618-E650 WeakPolarHBondContact CG-OE1 3.22Å; K618-E650 IonicContact NZ-OE2 2.7Å; K618-E650 PolarHBondContact NZ-OE2 2.99Å; R621-E650 IonicContact CZ-OE1 3.24Å; R621-E650 IonicContact NE-OE1 2.79Å; R621-E650 PolarHBondContact NE-OE1 2.94Å; R621-E650 IonicContact NH2-OE1 2.79Å; R621-E650 PolarHBondContact NH2-OE1 2.76Å; L646-E650 WeakPolarHBondContact O-CB 3.46Å; L646-E650 PolarHBondContact O-N 2.75Å; E650-N652 PolarHBondContact O-N 2.83Å; E650-Y653 PolarHBondContact O-N 2.9Å; E650-N654 WeakPolarHBondContact O-CB 3.43Å; E650-N654 PolarHBondContact O-N 3.14Å; E650-N654 PolarHBondContact O-ND2 3.04Å; E650-N654 PolarHBondContact OE2-ND2 2.82Å; E650-F1043 HydrophobicContact CG-CE2 4.37Å; E650-F1043 HydrophobicContact CG-CZ 4.11Å; E650-F1043 WeakPolarHBondContact OE1-CE2 3.4Å; E650-F1043 VanDerWaalsContact OE1-CZ 3.24Å; E650-F1043 WeakPolarHBondContact OE1-CZ 3.42Å
651	S	83.9	Confident	82.8	Confident	52 Å²	52	81.3 Å²	81.3	36%	0.364	38%	0.376	S	S	.	.	H	α-helix	trans	-53.9	-42.5	179.3	-175.8	0	0	0	0	111.8	Y647 Q648 R655	Y647-S651 VanDerWaalsContact O-CB 3.24Å; Y647-S651 WeakPolarHBondContact O-CB 3.47Å; Y647-S651 PolarHBondContact O-N 3.31Å; Q648-S651 PolarHBondContact O-N 3.1Å; S651-R655 PolarHBondContact O-N 3.15Å; S651-R655 PolarHBondContact O-NH2 3.26Å; S651-R655 PolarHBondContact OG-NH2 3.38Å
652	N	80.2	Confident	82.6	Confident	74 Å²	74	77.8 Å²	77.8	40%	0.396	36%	0.362	S	S	.	.	H	α-helix	trans	-69.4	-49.4	176.7	-75.2	-9.8	0	0	0	112.6	Q648 K649 E650 N654 R655 L656	Q648-N652 PolarHBondContact NE2-ND2 3.16Å; Q648-N652 PolarHBondContact NE2-OD1 3.27Å; Q648-N652 VanDerWaalsContact NE2-OD1 3.07Å; Q648-N652 WeakPolarHBondContact O-CB 3.35Å; Q648-N652 PolarHBondContact O-N 3.01Å; K649-N652 PolarHBondContact O-N 3.43Å; E650-N652 PolarHBondContact O-N 2.83Å; N652-N654 VanDerWaalsContact C-N 3.3Å; N652-N654 PolarHBondContact O-N 3.2Å; N652-R655 CarbonylContact O-C 3.53Å; N652-R655 WeakPolarHBondContact O-CA 3.48Å; N652-R655 WeakPolarHBondContact O-CB 3.19Å; N652-R655 PolarHBondContact O-N 3.15Å; N652-R655 PolarHBondContact OD1-NH2 3.26Å; N652-L656 WeakPolarHBondContact O-CB 3.42Å; N652-L656 PolarHBondContact O-N 2.58Å
653	Y	76.9	Confident	82.7	Confident	20 Å²	20	79.2 Å²	79.2	8%	0.078	37%	0.366	C	S	.	.	H	α-helix	trans	-56.9	-42.4	175.7	170.5	-107.2	0	0	0	112.4	K649 E650 R655 L656 K657 F1043	K649-Y653 PolarHBondContact O-N 3.48Å; E650-Y653 PolarHBondContact O-N 2.9Å; Y653-R655 PolarHBondContact O-N 2.66Å; Y653-L656 PolarHBondContact O-N 2.81Å; Y653-L656 VanDerWaalsContact O-N 3.15Å; Y653-K657 HydrophobicContact CE1-CD 4.21Å; Y653-K657 WeakPolarHBondContact O-CB 3.34Å; Y653-K657 PolarHBondContact O-N 3.25Å; Y653-F1043 AromaticContact CD1-CD2 3.32Å; Y653-F1043 HydrophobicContact CD1-CD2 3.32Å; Y653-F1043 AromaticContact CD1-CE2 3.49Å; Y653-F1043 HydrophobicContact CD1-CE2 3.49Å; Y653-F1043 VanDerWaalsContact CD1-CE2 3.49Å; Y653-F1043 HydrophobicContact CD2-CB 4.42Å; Y653-F1043 AromaticContact CD2-CD2 3.84Å; Y653-F1043 HydrophobicContact CD2-CD2 3.84Å; Y653-F1043 HydrophobicContact CD2-CE2 4.49Å; Y653-F1043 HydrophobicContact CD2-CG 4.41Å; Y653-F1043 AromaticContact CE1-CD2 3.63Å; Y653-F1043 HydrophobicContact CE1-CD2 3.63Å; Y653-F1043 HydrophobicContact CE1-CE2 4.17Å; Y653-F1043 HydrophobicContact CE2-CB 4.3Å; Y653-F1043 HydrophobicContact CE2-CD2 4.15Å; Y653-F1043 AromaticContact CG-CD2 3.41Å; Y653-F1043 HydrophobicContact CG-CD2 3.41Å; Y653-F1043 VanDerWaalsContact CG-CD2 3.41Å; Y653-F1043 AromaticContact CG-CE2 3.65Å; Y653-F1043 HydrophobicContact CG-CE2 3.65Å; Y653-F1043 HydrophobicContact CG-CG 4.33Å
654	N	77.1	Confident	82.7	Confident	47 Å²	47	82.4 Å²	82.4	25%	0.251	39%	0.394	S	S	.	.	H	α-helix	trans	-70.8	-16.7	178	-69.7	-102.5	0	0	0	112.1	K618 E650 N652 R658	K618-N654 VanDerWaalsContact NZ-CG 3.28Å; K618-N654 PolarHBondContact NZ-ND2 2.93Å; K618-N654 PolarHBondContact NZ-OD1 3.28Å; E650-N654 WeakPolarHBondContact O-CB 3.43Å; E650-N654 PolarHBondContact O-N 3.14Å; E650-N654 PolarHBondContact O-ND2 3.04Å; E650-N654 PolarHBondContact OE2-ND2 2.82Å; N652-N654 VanDerWaalsContact C-N 3.3Å; N652-N654 PolarHBondContact O-N 3.2Å; N654-R658 PolarHBondContact O-NE 2.91Å; N654-R658 PolarHBondContact O-NH2 2.96Å
655	R	77.8	Confident	82.8	Confident	122 Å²	122	80 Å²	80	46%	0.46	39%	0.385	S	S	.	.	H	α-helix	trans	-81.3	-43.8	168.6	-145	-171.1	-42.9	-72.7	-12.1	110.4	S651 N652 Y653 R658 A659	S651-R655 PolarHBondContact O-N 3.15Å; S651-R655 PolarHBondContact O-NH2 3.26Å; S651-R655 PolarHBondContact OG-NH2 3.38Å; N652-R655 CarbonylContact O-C 3.53Å; N652-R655 WeakPolarHBondContact O-CA 3.48Å; N652-R655 WeakPolarHBondContact O-CB 3.19Å; N652-R655 PolarHBondContact O-N 3.15Å; N652-R655 PolarHBondContact OD1-NH2 3.26Å; Y653-R655 PolarHBondContact O-N 2.66Å; R655-R658 WeakPolarHBondContact O-CB 3.33Å; R655-R658 PolarHBondContact O-N 3.01Å; R655-R658 VanDerWaalsContact O-N 3.07Å; R655-A659 PolarHBondContact O-N 2.95Å
656	L	74.3	Confident	83.1	Confident	62 Å²	62	77.3 Å²	77.3	33%	0.325	37%	0.371	S	S	.	.	H	α-helix	trans	-66	-41.7	-177.8	-161	66.6	0	0	0	112.1	N652 Y653 R658 A659	N652-L656 WeakPolarHBondContact O-CB 3.42Å; N652-L656 PolarHBondContact O-N 2.58Å; Y653-L656 PolarHBondContact O-N 2.81Å; Y653-L656 VanDerWaalsContact O-N 3.15Å; L656-R658 PolarHBondContact O-N 2.82Å; L656-R658 VanDerWaalsContact O-N 3.14Å; L656-A659 WeakPolarHBondContact O-CB 3.43Å; L656-A659 PolarHBondContact O-N 2.61Å
657	K	71.6	Confident	83.4	Confident	116 Å²	116	80 Å²	80	50%	0.504	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-9.7	171.3	-173.4	167	-179.1	169.8	0	113.9	Y653	Y653-K657 HydrophobicContact CE1-CD 4.21Å; Y653-K657 WeakPolarHBondContact O-CB 3.34Å; Y653-K657 PolarHBondContact O-N 3.25Å
658	R	72	Confident	83.8	Confident	188 Å²	188	77.7 Å²	77.7	71%	0.709	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-10.5	171.4	-83	176.8	-78	150.6	-6.1	113.5	N654 R655 L656	N654-R658 PolarHBondContact O-NE 2.91Å; N654-R658 PolarHBondContact O-NH2 2.96Å; R655-R658 WeakPolarHBondContact O-CB 3.33Å; R655-R658 PolarHBondContact O-N 3.01Å; R655-R658 VanDerWaalsContact O-N 3.07Å; L656-R658 PolarHBondContact O-N 2.82Å; L656-R658 VanDerWaalsContact O-N 3.14Å
659	A	77.3	Confident	84.2	Confident	57 Å²	57	76.1 Å²	76.1	47%	0.471	38%	0.375	S	S	.	.	S	Bend	trans	-73.4	131.6	168.9	0	0	0	0	0	108.9	R655 L656	R655-A659 PolarHBondContact O-N 2.95Å; L656-A659 WeakPolarHBondContact O-CB 3.43Å; L656-A659 PolarHBondContact O-N 2.61Å
660	K	79.7	Confident	84.7	Confident	139 Å²	139	74.2 Å²	74.2	60%	0.604	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-75	140.1	169.9	179.5	166.8	169.4	-81.3	0	108.6	D662 M665	K660-D662 IonicContact NZ-OD1 2.66Å; K660-D662 PolarHBondContact NZ-OD1 2.84Å; K660-D662 IonicContact NZ-OD2 3.6Å; K660-D662 PolarHBondContact NZ-OD2 3.29Å; K660-M665 WeakPolarHBondContact O-CE 3.34Å
661	M	84.4	Confident	85	Confident	13 Å²	13	73.8 Å²	73.8	6%	0.064	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-101.6	148.4	170.9	-66.6	-171.9	61.8	0	0	110.2	M665 F666 Y731 F733	M661-M665 HydrophobicContact CB-SD 4.25Å; M661-M665 HydrophobicContact CG-SD 4.28Å; M661-F666 HydrophobicContact CE-CE2 3.78Å; M661-F666 HydrophobicContact CE-CZ 3.79Å; M661-Y731 HydrophobicContact CE-CD1 4.08Å; M661-Y731 HydrophobicContact CE-CD2 3.63Å; M661-Y731 HydrophobicContact CE-CE2 4.23Å; M661-Y731 HydrophobicContact CE-CG 3.52Å; M661-Y731 HydrophobicContact SD-CD1 3.92Å; M661-Y731 HydrophobicContact SD-CG 3.84Å; M661-F733 HydrophobicContact CB-CB 4.01Å; M661-F733 HydrophobicContact CB-CD1 4.02Å; M661-F733 HydrophobicContact CB-CD2 4.38Å; M661-F733 HydrophobicContact CB-CG 3.89Å; M661-F733 HydrophobicContact CE-CD1 4.1Å; M661-F733 HydrophobicContact CE-CE1 4.18Å
662	D	87.9	Confident	85.3	Confident	53 Å²	53	72 Å²	72	28%	0.283	35%	0.352	S	S	.	.			trans	-144.6	151.5	-173.1	-82.9	-71.1	0	0	0	110.3	K660 S664 M665	K660-D662 IonicContact NZ-OD1 2.66Å; K660-D662 PolarHBondContact NZ-OD1 2.84Å; K660-D662 IonicContact NZ-OD2 3.6Å; K660-D662 PolarHBondContact NZ-OD2 3.29Å; D662-S664 PolarHBondContact O-N 2.7Å; D662-S664 VanDerWaalsContact O-N 3.17Å; D662-M665 WeakPolarHBondContact O-CB 3.41Å; D662-M665 WeakPolarHBondContact O-CG 3.4Å; D662-M665 PolarHBondContact O-N 2.86Å
663	K	91.9	Very high	85.6	Confident	106 Å²	106	69.6 Å²	69.6	46%	0.461	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-55.5	-37.1	-175.6	-170.7	-176	-174.7	178.3	0	112.4	M665 F666 M694 Y740	K663-M665 PolarHBondContact O-N 3.23Å; K663-F666 PolarHBondContact O-N 3.09Å; K663-M694 HydrophobicContact CG-CE 4.13Å; K663-Y740 HydrophobicContact CD-CE1 4.14Å; K663-Y740 HydrophobicContact CG-CE1 4.24Å
664	S	92.4	Very high	85.8	Confident	105 Å²	105	72 Å²	72	73%	0.734	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-66.1	-2.2	179.8	54	0	0	0	0	115.7	D662	D662-S664 PolarHBondContact O-N 2.7Å; D662-S664 VanDerWaalsContact O-N 3.17Å
665	M	91.8	Very high	85.7	Confident	68 Å²	68	71.6 Å²	71.6	34%	0.335	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-77.7	-8.9	166.9	-60.8	179.2	178.3	0	0	112.6	K660 M661 D662 K663 K685 V686	K660-M665 WeakPolarHBondContact O-CE 3.34Å; M661-M665 HydrophobicContact CB-SD 4.25Å; M661-M665 HydrophobicContact CG-SD 4.28Å; D662-M665 WeakPolarHBondContact O-CB 3.41Å; D662-M665 WeakPolarHBondContact O-CG 3.4Å; D662-M665 PolarHBondContact O-N 2.86Å; K663-M665 PolarHBondContact O-N 3.23Å; M665-K685 WeakPolarHBondContact O-CA 3.12Å; M665-V686 PolarHBondContact O-N 3.02Å
666	F	95.3	Very high	85.5	Confident	14 Å²	14	68.7 Å²	68.7	6%	0.061	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.8	-176.1	-58.5	-89.9	0	0	0	110.6	M661 K663 A683 C684 K685 Y692 M694 Y731 F733 V742	M661-F666 HydrophobicContact CE-CE2 3.78Å; M661-F666 HydrophobicContact CE-CZ 3.79Å; K663-F666 PolarHBondContact O-N 3.09Å; F666-A683 HydrophobicContact CB-CB 4.37Å; F666-C684 CarbonylContact C-O 3.58Å; F666-C684 WeakPolarHBondContact CA-O 3.35Å; F666-K685 HydrophobicContact CD1-CB 3.8Å; F666-K685 HydrophobicContact CD1-CG 4.09Å; F666-K685 HydrophobicContact CE1-CB 3.68Å; F666-K685 HydrophobicContact CE1-CD 3.76Å; F666-K685 HydrophobicContact CE1-CG 3.64Å; F666-K685 HydrophobicContact CZ-CD 4.02Å; F666-K685 HydrophobicContact CZ-CG 4.1Å; F666-Y692 HydrophobicContact CE1-CD2 4.11Å; F666-Y692 HydrophobicContact CE1-CE2 4.39Å; F666-M694 HydrophobicContact CB-SD 3.76Å; F666-M694 HydrophobicContact CD1-SD 4.45Å; F666-M694 HydrophobicContact CD2-CE 4.48Å; F666-M694 HydrophobicContact CD2-SD 4.3Å; F666-M694 HydrophobicContact CG-SD 3.92Å; F666-Y731 HydrophobicContact CE1-CD2 4.43Å; F666-Y731 HydrophobicContact CE1-CE2 4.42Å; F666-Y731 AromaticContact CZ-CD2 3.83Å; F666-Y731 HydrophobicContact CZ-CD2 3.83Å; F666-Y731 HydrophobicContact CZ-CE2 4.05Å; F666-F733 HydrophobicContact CD2-CE1 4.26Å; F666-F733 HydrophobicContact CD2-CZ 4.04Å; F666-F733 AromaticContact CE2-CE1 3.72Å; F666-F733 HydrophobicContact CE2-CE1 3.72Å; F666-F733 AromaticContact CE2-CZ 3.93Å; F666-F733 HydrophobicContact CE2-CZ 3.93Å; F666-F733 HydrophobicContact CZ-CE1 4.48Å; F666-V742 HydrophobicContact CD1-CG1 4.5Å; F666-V742 HydrophobicContact CE1-CG1 3.72Å; F666-V742 HydrophobicContact CE1-CG2 4.12Å; F666-V742 HydrophobicContact CE2-CG2 4.25Å; F666-V742 HydrophobicContact CZ-CG1 4.11Å; F666-V742 HydrophobicContact CZ-CG2 3.9Å
667	V	95.6	Very high	85.6	Confident	82 Å²	82	68.1 Å²	68.1	50%	0.497	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	122.1	171.3	175.9	0	0	0	0	107.9	A683 C684 V686	V667-A683 CarbonylContact O-C 3.54Å; V667-A683 WeakPolarHBondContact O-CA 3.19Å; V667-C684 PolarHBondContact N-O 3.2Å; V667-C684 PolarHBondContact O-N 2.98Å; V667-V686 HydrophobicContact CG2-CG2 3.79Å
668	K	95.3	Very high	86.2	Confident	80 Å²	80	62.9 Å²	62.9	35%	0.348	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	129.3	171.5	177.1	173.3	176.6	-179.7	0	108.7	T671 E679 C681	K668-T671 VanDerWaalsContact CE-OG1 3.22Å; K668-T671 WeakPolarHBondContact CE-OG1 3.09Å; K668-T671 PolarHBondContact NZ-OG1 2.95Å; K668-E679 VanDerWaalsContact NZ-CD 3.25Å; K668-E679 IonicContact NZ-OE1 3.16Å; K668-E679 PolarHBondContact NZ-OE1 2.89Å; K668-E679 VanDerWaalsContact NZ-OE1 3.14Å; K668-E679 IonicContact NZ-OE2 3.69Å; K668-E679 PolarHBondContact NZ-OE2 3.2Å; K668-C681 HydrophobicContact CD-CB 3.98Å; K668-C681 HydrophobicContact CG-CB 3.9Å
669	I	94.2	Very high	87.1	Confident	69 Å²	69	55 Å²	55	35%	0.354	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-56.7	176.3	-66.4	161.5	0	0	0	109.7	L682 C684 L691 M995	I669-L682 HydrophobicContact CB-CB 4.41Å; I669-L682 HydrophobicContact CB-CD2 4.25Å; I669-L682 HydrophobicContact CB-CG 4.09Å; I669-L682 HydrophobicContact CD1-CD2 4.23Å; I669-L682 HydrophobicContact CD1-CG 3.95Å; I669-L682 HydrophobicContact CG2-CD2 4.05Å; I669-L682 HydrophobicContact CG2-CG 4.45Å; I669-L682 PolarHBondContact N-O 2.78Å; I669-C684 HydrophobicContact CD1-CB 3.77Å; I669-C684 HydrophobicContact CG1-CB 4.4Å; I669-L691 HydrophobicContact CD1-CD2 3.53Å; I669-M995 HydrophobicContact CD1-CG 4.34Å; I669-M995 HydrophobicContact CD1-SD 3.79Å
670	K	93.6	Very high	87.9	Confident	71 Å²	71	54.2 Å²	54.2	31%	0.309	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	149.7	-178.6	-174.6	177.6	162.3	-172.3	0	110.9	C681 L682 T997	K670-C681 CarbonylContact O-C 3.54Å; K670-C681 VanDerWaalsContact O-CA 3.28Å; K670-C681 WeakPolarHBondContact O-CA 3.43Å; K670-C681 VanDerWaalsContact O-CB 3.3Å; K670-C681 WeakPolarHBondContact O-CB 3.36Å; K670-L682 PolarHBondContact O-N 2.83Å; K670-T997 HydrophobicContact CD-CG2 4.21Å; K670-T997 VanDerWaalsContact CD-OG1 3.31Å; K670-T997 WeakPolarHBondContact CD-OG1 3.39Å; K670-T997 PolarHBondContact NZ-OG1 3.26Å
671	T	92.7	Very high	88.6	Confident	11 Å²	11	47.8 Å²	47.8	7%	0.067	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130.8	170.5	-44.6	0	0	0	0	109.9	K668 I674 E679 V1003	K668-T671 VanDerWaalsContact CE-OG1 3.22Å; K668-T671 WeakPolarHBondContact CE-OG1 3.09Å; K668-T671 PolarHBondContact NZ-OG1 2.95Å; T671-I674 HydrophobicContact CG2-CG1 4.25Å; T671-E679 HydrophobicContact CG2-CB 4.36Å; T671-V1003 HydrophobicContact CG2-CB 4.38Å; T671-V1003 HydrophobicContact CG2-CG1 3.9Å; T671-V1003 HydrophobicContact CG2-CG2 4.45Å
672	L	90.2	Very high	89.2	Confident	15 Å²	15	47.2 Å²	47.2	8%	0.079	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-22.3	179.7	-63	175.3	0	0	0	112.7	V680 L682 A693 Y745 T997 F1000	L672-V680 HydrophobicContact CB-CG1 4.3Å; L672-V680 HydrophobicContact CD1-CG1 4.32Å; L672-V680 PolarHBondContact N-O 2.92Å; L672-L682 HydrophobicContact CD1-CB 4.1Å; L672-L682 HydrophobicContact CD2-CB 4.17Å; L672-L682 HydrophobicContact CG-CB 4.16Å; L672-A693 HydrophobicContact CD1-CB 4.5Å; L672-Y745 HydrophobicContact CD1-CD2 3.89Å; L672-Y745 HydrophobicContact CD1-CE2 3.65Å; L672-Y745 HydrophobicContact CD2-CE2 4.05Å; L672-T997 HydrophobicContact CD2-CG2 3.49Å; L672-T997 VanDerWaalsContact CD2-CG2 3.49Å; L672-F1000 HydrophobicContact CB-CD1 4.06Å; L672-F1000 HydrophobicContact CB-CE1 4.13Å; L672-F1000 HydrophobicContact CD1-CE1 4.33Å; L672-F1000 HydrophobicContact CD1-CZ 4.39Å; L672-F1000 HydrophobicContact CD2-CD1 4.1Å; L672-F1000 HydrophobicContact CD2-CD2 4.12Å; L672-F1000 HydrophobicContact CD2-CE1 4.15Å; L672-F1000 HydrophobicContact CD2-CE2 4.17Å; L672-F1000 HydrophobicContact CD2-CG 4.08Å; L672-F1000 HydrophobicContact CD2-CZ 4.18Å; L672-F1000 HydrophobicContact CG-CE1 4.43Å
673	G	85.7	Confident	89.6	Confident	24 Å²	24	44.7 Å²	44.7	25%	0.247	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.7	154.4	177.9	0	0	0	0	0	112.3	V680	G673-V680 PolarHBondContact N-O 2.74Å; G673-V680 PolarHBondContact O-N 2.86Å
674	I	81.4	Confident	89.7	Confident	70 Å²	70	40.9 Å²	40.9	36%	0.359	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	111.8	179.8	-63.7	-179.7	0	0	0	109	T671 V1003 S1007 W1009	T671-I674 HydrophobicContact CG2-CG1 4.25Å; I674-V1003 HydrophobicContact CD1-CG1 3.52Å; I674-V1003 HydrophobicContact CG1-CG1 3.77Å; I674-S1007 VanDerWaalsContact CD1-CB 3.49Å; I674-S1007 WeakPolarHBondContact CD1-OG 3.34Å; I674-W1009 HydrophobicContact CG2-CZ2 4.42Å; I674-W1009 VanDerWaalsContact CG2-NE1 3.27Å
675	G	74.9	Confident	89.8	Confident	39 Å²	39	36.2 Å²	36.2	40%	0.402	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	166.5	175.6	0	0	0	0	0	112.3	F677 G678	G675-F677 PolarHBondContact O-N 3.28Å; G675-G678 CarbonylContact C-O 3.51Å; G675-G678 WeakPolarHBondContact CA-O 3.18Å; G675-G678 PolarHBondContact N-O 2.98Å; G675-G678 PolarHBondContact O-N 2.63Å
676	A	72.8	Confident	89.8	Confident	60 Å²	60	36.5 Å²	36.5	50%	0.496	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-16.9	-175.7	0	0	0	0	0	115	R705	A676-R705 PolarHBondContact O-NH1 3.25Å
677	F	76.7	Confident	89.5	Confident	50 Å²	50	41.3 Å²	41.3	22%	0.219	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	0.3	-174.6	-45.8	-84	0	0	0	114	G675 L697 R698 V702 R705 Q707	G675-F677 PolarHBondContact O-N 3.28Å; F677-L697 HydrophobicContact CB-CD2 4.44Å; F677-L697 WeakPolarHBondContact O-CA 3.25Å; F677-R698 PolarHBondContact O-N 2.82Å; F677-V702 HydrophobicContact CB-CG2 4.38Å; F677-R705 HydrophobicContact CE1-CB 4.1Å; F677-R705 VanDerWaalsContact CE1-CD 3.46Å; F677-R705 HydrophobicContact CE1-CG 4.43Å; F677-Q707 HydrophobicContact CE1-CB 4.3Å; F677-Q707 HydrophobicContact CE1-CG 3.63Å; F677-Q707 HydrophobicContact CZ-CB 4.48Å; F677-Q707 HydrophobicContact CZ-CG 3.72Å
678	G	85.2	Confident	89.1	Confident	6 Å²	6	39.3 Å²	39.3	6%	0.062	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.6	179.1	-165.3	0	0	0	0	0	114.3	G675 T696 W1009	G675-G678 CarbonylContact C-O 3.51Å; G675-G678 WeakPolarHBondContact CA-O 3.18Å; G675-G678 PolarHBondContact N-O 2.98Å; G675-G678 PolarHBondContact O-N 2.63Å; G678-T696 CarbonylContact C-O 3.59Å; G678-T696 WeakPolarHBondContact CA-O 3.47Å; G678-W1009 VanDerWaalsContact CA-CZ3 3.46Å; G678-W1009 VanDerWaalsContact N-CZ3 3.31Å
679	E	90.6	Very high	88.8	Confident	24 Å²	24	42.5 Å²	42.5	11%	0.112	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	154	175.3	60.2	170.8	-158.8	0	0	112.1	K668 T671 K695 T696	K668-E679 VanDerWaalsContact NZ-CD 3.25Å; K668-E679 IonicContact NZ-OE1 3.16Å; K668-E679 PolarHBondContact NZ-OE1 2.89Å; K668-E679 VanDerWaalsContact NZ-OE1 3.14Å; K668-E679 IonicContact NZ-OE2 3.69Å; K668-E679 PolarHBondContact NZ-OE2 3.2Å; T671-E679 HydrophobicContact CG2-CB 4.36Å; E679-K695 CarbonylContact O-C 3.39Å; E679-K695 WeakPolarHBondContact O-CA 3.44Å; E679-T696 PolarHBondContact N-O 3.45Å; E679-T696 VanDerWaalsContact N-O 3.16Å; E679-T696 PolarHBondContact O-N 3.41Å
680	V	92.9	Very high	88.7	Confident	40 Å²	40	39.4 Å²	39.4	24%	0.242	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.4	159.5	-176	0	0	0	0	107.3	L672 G673 A693 K695	L672-V680 HydrophobicContact CB-CG1 4.3Å; L672-V680 HydrophobicContact CD1-CG1 4.32Å; L672-V680 PolarHBondContact N-O 2.92Å; G673-V680 PolarHBondContact N-O 2.74Å; G673-V680 PolarHBondContact O-N 2.86Å; V680-A693 HydrophobicContact CG1-CB 4.32Å; V680-K695 HydrophobicContact CG2-CB 4.13Å; V680-K695 HydrophobicContact CG2-CD 4.31Å; V680-K695 HydrophobicContact CG2-CG 3.87Å
681	C	95.2	Very high	88.7	Confident	4 Å²	4	36.8 Å²	36.8	3%	0.027	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	150.5	177.8	62.6	0	0	0	0	111.9	K668 K670 M694	K668-C681 HydrophobicContact CD-CB 3.98Å; K668-C681 HydrophobicContact CG-CB 3.9Å; K670-C681 CarbonylContact O-C 3.54Å; K670-C681 VanDerWaalsContact O-CA 3.28Å; K670-C681 WeakPolarHBondContact O-CA 3.43Å; K670-C681 VanDerWaalsContact O-CB 3.3Å; K670-C681 WeakPolarHBondContact O-CB 3.36Å; C681-M694 PolarHBondContact N-O 3.17Å; C681-M694 PolarHBondContact O-N 3.29Å; C681-M694 PolarHBondContact SG-O 2.89Å; C681-M694 VanDerWaalsContact SG-O 3.38Å
682	L	96.1	Very high	88.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	127.9	165.2	175.6	59.8	0	0	0	107.5	I669 K670 L672 L691 Y745 M995 T997	I669-L682 HydrophobicContact CB-CB 4.41Å; I669-L682 HydrophobicContact CB-CD2 4.25Å; I669-L682 HydrophobicContact CB-CG 4.09Å; I669-L682 HydrophobicContact CD1-CD2 4.23Å; I669-L682 HydrophobicContact CD1-CG 3.95Å; I669-L682 HydrophobicContact CG2-CD2 4.05Å; I669-L682 HydrophobicContact CG2-CG 4.45Å; I669-L682 PolarHBondContact N-O 2.78Å; K670-L682 PolarHBondContact O-N 2.83Å; L672-L682 HydrophobicContact CD1-CB 4.1Å; L672-L682 HydrophobicContact CD2-CB 4.17Å; L672-L682 HydrophobicContact CG-CB 4.16Å; L682-L691 HydrophobicContact CD1-CB 4.2Å; L682-L691 HydrophobicContact CD1-CD2 4.32Å; L682-Y745 HydrophobicContact CD1-CD1 3.66Å; L682-Y745 HydrophobicContact CD1-CD2 3.81Å; L682-Y745 HydrophobicContact CD1-CE1 3.88Å; L682-Y745 HydrophobicContact CD1-CE2 4.05Å; L682-Y745 HydrophobicContact CD1-CG 3.62Å; L682-Y745 HydrophobicContact CD2-CE1 4.33Å; L682-M995 HydrophobicContact CD2-CB 4Å; L682-M995 HydrophobicContact CD2-CG 4.39Å; L682-T997 HydrophobicContact CD2-CG2 4.19Å
683	A	96.3	Very high	89.1	Confident	1 Å²	1	36 Å²	36	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	137.7	-178.3	0	0	0	0	0	112.4	F666 V667 Y692 M694	F666-A683 HydrophobicContact CB-CB 4.37Å; V667-A683 CarbonylContact O-C 3.54Å; V667-A683 WeakPolarHBondContact O-CA 3.19Å; A683-Y692 PolarHBondContact N-O 3.39Å; A683-Y692 PolarHBondContact O-N 3.32Å; A683-M694 HydrophobicContact CB-CB 3.91Å; A683-M694 HydrophobicContact CB-SD 4.19Å
684	C	95.8	Very high	89.6	Confident	25 Å²	25	35.1 Å²	35.1	17%	0.169	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.5	175	172.9	0	0	0	0	110.6	F666 V667 I669 A690 L691	F666-C684 CarbonylContact C-O 3.58Å; F666-C684 WeakPolarHBondContact CA-O 3.35Å; V667-C684 PolarHBondContact N-O 3.2Å; V667-C684 PolarHBondContact O-N 2.98Å; I669-C684 HydrophobicContact CD1-CB 3.77Å; I669-C684 HydrophobicContact CG1-CB 4.4Å; C684-A690 WeakPolarHBondContact CA-O 3.2Å; C684-L691 HydrophobicContact CB-CD2 4.06Å
685	K	93.8	Very high	90.3	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.035	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	112.9	-178.7	-177.2	-179.8	159.7	-66.8	0	111.5	M665 F666 D687 T688 H689 A690 Y692 Y731	M665-K685 WeakPolarHBondContact O-CA 3.12Å; F666-K685 HydrophobicContact CD1-CB 3.8Å; F666-K685 HydrophobicContact CD1-CG 4.09Å; F666-K685 HydrophobicContact CE1-CB 3.68Å; F666-K685 HydrophobicContact CE1-CD 3.76Å; F666-K685 HydrophobicContact CE1-CG 3.64Å; F666-K685 HydrophobicContact CZ-CD 4.02Å; F666-K685 HydrophobicContact CZ-CG 4.1Å; K685-D687 WeakPolarHBondContact CE-OD1 3.48Å; K685-D687 WeakPolarHBondContact CG-OD1 3.32Å; K685-D687 IonicContact NZ-OD1 2.67Å; K685-D687 PolarHBondContact NZ-OD1 3.32Å; K685-D687 IonicContact NZ-OD2 3.81Å; K685-D687 PolarHBondContact NZ-OD2 3.36Å; K685-D687 PolarHBondContact O-N 2.87Å; K685-D687 VanDerWaalsContact O-N 3.16Å; K685-T688 WeakPolarHBondContact CD-OG1 3.4Å; K685-T688 WeakPolarHBondContact CG-OG1 3.37Å; K685-T688 PolarHBondContact NZ-OG1 2.83Å; K685-T688 PolarHBondContact O-N 3.09Å; K685-T688 PolarHBondContact O-OG1 3.19Å; K685-H689 PolarHBondContact O-N 3.04Å; K685-A690 PolarHBondContact N-O 3.28Å; K685-Y692 HydrophobicContact CB-CD2 3.99Å; K685-Y692 HydrophobicContact CB-CE2 3.63Å; K685-Y692 HydrophobicContact CD-CE2 3.68Å; K685-Y692 HydrophobicContact CG-CE2 4.29Å; K685-Y731 HydrophobicContact CD-CE2 3.86Å; K685-Y731 WeakPolarHBondContact CE-OH 3.42Å
686	V	92.5	Very high	91.2	Very high	74 Å²	74	32 Å²	32	45%	0.448	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-36.9	-160.1	176.8	0	0	0	0	115.4	M665 V667 T688	M665-V686 PolarHBondContact O-N 3.02Å; V667-V686 HydrophobicContact CG2-CG2 3.79Å; V686-T688 VanDerWaalsContact C-N 3.34Å
687	D	87.7	Confident	92.1	Very high	115 Å²	115	29.4 Å²	29.4	62%	0.615	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-5.4	-178.1	61.2	-44.3	0	0	0	114.2	K685	K685-D687 WeakPolarHBondContact CE-OD1 3.48Å; K685-D687 WeakPolarHBondContact CG-OD1 3.32Å; K685-D687 IonicContact NZ-OD1 2.67Å; K685-D687 PolarHBondContact NZ-OD1 3.32Å; K685-D687 IonicContact NZ-OD2 3.81Å; K685-D687 PolarHBondContact NZ-OD2 3.36Å; K685-D687 PolarHBondContact O-N 2.87Å; K685-D687 VanDerWaalsContact O-N 3.16Å
688	T	88.6	Confident	92.8	Very high	39 Å²	39	30.6 Å²	30.6	24%	0.239	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.8	-12	-173	39.8	0	0	0	0	114.4	K685 V686 A690	K685-T688 WeakPolarHBondContact CD-OG1 3.4Å; K685-T688 WeakPolarHBondContact CG-OG1 3.37Å; K685-T688 PolarHBondContact NZ-OG1 2.83Å; K685-T688 PolarHBondContact O-N 3.09Å; K685-T688 PolarHBondContact O-OG1 3.19Å; V686-T688 VanDerWaalsContact C-N 3.34Å; T688-A690 PolarHBondContact O-N 3.25Å
689	H	88.9	Confident	93	Very high	147 Å²	147	31.4 Å²	31.4	68%	0.681	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	12.5	-169.8	-56.7	-80.1	0	0	0	115.5	K685	K685-H689 PolarHBondContact O-N 3.04Å
690	A	90.8	Very high	92.9	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.033	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	133.8	179	0	0	0	0	0	111.8	C684 K685 T688 Y692 G1048	C684-A690 WeakPolarHBondContact CA-O 3.2Å; K685-A690 PolarHBondContact N-O 3.28Å; T688-A690 PolarHBondContact O-N 3.25Å; A690-Y692 HydrophobicContact CB-CD2 4.39Å; A690-Y692 HydrophobicContact CB-CE2 3.53Å; A690-Y692 WeakPolarHBondContact O-CD2 3.3Å; A690-G1048 WeakPolarHBondContact CB-O 3.16Å
691	L	94.2	Very high	92.6	Very high	17 Å²	17	32.7 Å²	32.7	9%	0.089	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	137.8	176.7	-61.7	176.8	0	0	0	111.4	I669 L682 C684 P994 M995 P1050	I669-L691 HydrophobicContact CD1-CD2 3.53Å; L682-L691 HydrophobicContact CD1-CB 4.2Å; L682-L691 HydrophobicContact CD1-CD2 4.32Å; C684-L691 HydrophobicContact CB-CD2 4.06Å; L691-P994 HydrophobicContact CD1-CB 3.87Å; L691-P994 WeakPolarHBondContact CD1-O 3.38Å; L691-M995 HydrophobicContact CD1-CG 3.61Å; L691-M995 HydrophobicContact CD2-CG 3.95Å; L691-M995 HydrophobicContact CD2-SD 4.34Å; L691-M995 HydrophobicContact CG-CG 4.45Å; L691-P1050 WeakPolarHBondContact O-CG 3.22Å
692	Y	95.8	Very high	92.3	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	155.2	178	-61.2	-82.5	0	0	0	111	F666 A683 K685 A690 Y730 V742 M743 P1050	F666-Y692 HydrophobicContact CE1-CD2 4.11Å; F666-Y692 HydrophobicContact CE1-CE2 4.39Å; A683-Y692 PolarHBondContact N-O 3.39Å; A683-Y692 PolarHBondContact O-N 3.32Å; K685-Y692 HydrophobicContact CB-CD2 3.99Å; K685-Y692 HydrophobicContact CB-CE2 3.63Å; K685-Y692 HydrophobicContact CD-CE2 3.68Å; K685-Y692 HydrophobicContact CG-CE2 4.29Å; A690-Y692 HydrophobicContact CB-CD2 4.39Å; A690-Y692 HydrophobicContact CB-CE2 3.53Å; A690-Y692 WeakPolarHBondContact O-CD2 3.3Å; Y692-Y730 AromaticContact CD1-CD2 3.81Å; Y692-Y730 HydrophobicContact CD1-CD2 3.81Å; Y692-Y730 HydrophobicContact CD1-CE2 4.15Å; Y692-Y730 HydrophobicContact CD1-CG 4.36Å; Y692-Y730 HydrophobicContact CE1-CD1 4.14Å; Y692-Y730 AromaticContact CE1-CD2 3.56Å; Y692-Y730 HydrophobicContact CE1-CD2 3.56Å; Y692-Y730 HydrophobicContact CE1-CE1 4.43Å; Y692-Y730 AromaticContact CE1-CE2 3.9Å; Y692-Y730 HydrophobicContact CE1-CE2 3.9Å; Y692-Y730 AromaticContact CE1-CG 3.72Å; Y692-Y730 HydrophobicContact CE1-CG 3.72Å; Y692-V742 HydrophobicContact CD1-CG1 3.77Å; Y692-V742 HydrophobicContact CD2-CG1 3.97Å; Y692-V742 HydrophobicContact CE1-CG1 4.46Å; Y692-V742 HydrophobicContact CG-CG1 3.47Å; Y692-V742 VanDerWaalsContact CG-CG1 3.47Å; Y692-M743 WeakPolarHBondContact CA-O 3.45Å; Y692-M743 WeakPolarHBondContact CB-O 3.45Å; Y692-P1050 HydrophobicContact CD1-CG 4.35Å; Y692-P1050 HydrophobicContact CE1-CB 4.46Å; Y692-P1050 HydrophobicContact CE1-CG 4.01Å
693	A	96.2	Very high	91.8	Very high	8 Å²	8	34 Å²	34	7%	0.066	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	131	158.5	0	0	0	0	0	109.3	L672 V680 M743 D744	L672-A693 HydrophobicContact CD1-CB 4.5Å; V680-A693 HydrophobicContact CG1-CB 4.32Å; A693-M743 HydrophobicContact CB-CG 3.82Å; A693-M743 PolarHBondContact N-O 3.35Å; A693-M743 PolarHBondContact O-N 2.68Å; A693-D744 WeakPolarHBondContact CB-O 3.45Å
694	M	95.8	Very high	91.2	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.025	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	105	-178	-177	166.8	174.5	0	0	110.4	K663 F666 C681 A683 F733 Y740 F741 V742	K663-M694 HydrophobicContact CG-CE 4.13Å; F666-M694 HydrophobicContact CB-SD 3.76Å; F666-M694 HydrophobicContact CD1-SD 4.45Å; F666-M694 HydrophobicContact CD2-CE 4.48Å; F666-M694 HydrophobicContact CD2-SD 4.3Å; F666-M694 HydrophobicContact CG-SD 3.92Å; C681-M694 PolarHBondContact N-O 3.17Å; C681-M694 PolarHBondContact O-N 3.29Å; C681-M694 PolarHBondContact SG-O 2.89Å; C681-M694 VanDerWaalsContact SG-O 3.38Å; A683-M694 HydrophobicContact CB-CB 3.91Å; A683-M694 HydrophobicContact CB-SD 4.19Å; M694-F733 HydrophobicContact CE-CZ 3.85Å; M694-Y740 HydrophobicContact CE-CD1 3.3Å; M694-Y740 HydrophobicContact CE-CE1 3.84Å; M694-Y740 HydrophobicContact CE-CG 3.92Å; M694-F741 CarbonylContact C-O 3.53Å; M694-F741 WeakPolarHBondContact CA-O 3.48Å; M694-V742 HydrophobicContact CG-CG2 4.32Å; M694-V742 HydrophobicContact SD-CG2 4.49Å
695	K	94.8	Very high	90.6	Very high	31 Å²	31	42.8 Å²	42.8	14%	0.135	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	115.3	179.3	-170.7	175.7	-174.4	178.2	0	109.1	E679 V680 L697 E714 Y740 F741 M743 D807	E679-K695 CarbonylContact O-C 3.39Å; E679-K695 WeakPolarHBondContact O-CA 3.44Å; V680-K695 HydrophobicContact CG2-CB 4.13Å; V680-K695 HydrophobicContact CG2-CD 4.31Å; V680-K695 HydrophobicContact CG2-CG 3.87Å; K695-L697 HydrophobicContact CD-CD1 4.46Å; K695-L697 HydrophobicContact CG-CD1 3.86Å; K695-E714 WeakPolarHBondContact CD-OE1 3.39Å; K695-E714 WeakPolarHBondContact CE-OE1 3.17Å; K695-E714 IonicContact NZ-OE1 2.72Å; K695-E714 PolarHBondContact NZ-OE1 2.9Å; K695-E714 IonicContact NZ-OE2 3.42Å; K695-Y740 WeakPolarHBondContact O-CA 3.48Å; K695-F741 HydrophobicContact CB-CB 4.26Å; K695-F741 HydrophobicContact CB-CD2 4.48Å; K695-F741 PolarHBondContact N-O 3.36Å; K695-F741 PolarHBondContact O-N 3.41Å; K695-M743 HydrophobicContact CB-CE 3.86Å; K695-M743 HydrophobicContact CD-CE 4.25Å; K695-D807 IonicContact NZ-OD1 2.67Å; K695-D807 PolarHBondContact NZ-OD1 3.25Å
696	T	94.4	Very high	90.1	Very high	13 Å²	13	46.1 Å²	46.1	8%	0.08	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	110	-174.8	-62.9	0	0	0	0	110.4	G678 E679 L739 Y740	G678-T696 CarbonylContact C-O 3.59Å; G678-T696 WeakPolarHBondContact CA-O 3.47Å; E679-T696 PolarHBondContact N-O 3.45Å; E679-T696 VanDerWaalsContact N-O 3.16Å; E679-T696 PolarHBondContact O-N 3.41Å; T696-L739 CarbonylContact C-O 3.53Å; T696-L739 WeakPolarHBondContact CA-O 3.29Å; T696-Y740 HydrophobicContact CG2-CD1 3.89Å; T696-Y740 HydrophobicContact CG2-CE1 3.42Å; T696-Y740 VanDerWaalsContact CG2-CE1 3.42Å; T696-Y740 WeakPolarHBondContact OG1-CD1 3.33Å; T696-Y740 WeakPolarHBondContact OG1-CE1 3.25Å
697	L	92.5	Very high	89.7	Confident	6 Å²	6	44.8 Å²	44.8	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.2	-177.8	-54.8	78.6	0	0	0	111.4	F677 K695 K699 V702 V711 S738 L739 F741	F677-L697 HydrophobicContact CB-CD2 4.44Å; F677-L697 WeakPolarHBondContact O-CA 3.25Å; K695-L697 HydrophobicContact CD-CD1 4.46Å; K695-L697 HydrophobicContact CG-CD1 3.86Å; L697-K699 PolarHBondContact O-N 3.31Å; L697-V702 HydrophobicContact CB-CG2 4.15Å; L697-V702 HydrophobicContact CD2-CG2 4.26Å; L697-V711 HydrophobicContact CD2-CG1 4.48Å; L697-V711 HydrophobicContact CD2-CG2 3.77Å; L697-S738 CarbonylContact O-C 3.52Å; L697-S738 WeakPolarHBondContact O-CA 3.4Å; L697-L739 HydrophobicContact CB-CB 4.42Å; L697-L739 PolarHBondContact N-O 3.37Å; L697-L739 PolarHBondContact O-N 2.62Å; L697-F741 HydrophobicContact CD1-CD2 3.58Å; L697-F741 HydrophobicContact CD1-CE2 3.52Å; L697-F741 HydrophobicContact CD2-CE2 4.42Å
698	R	90.9	Very high	89.6	Confident	75 Å²	75	39.4 Å²	39.4	28%	0.283	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	117.9	176	-62	-167.3	-61	-137.7	-3	110	F677 K700 D701 V702 W1009	F677-R698 PolarHBondContact O-N 2.82Å; R698-K700 PolarHBondContact O-N 2.94Å; R698-K700 VanDerWaalsContact O-N 3.15Å; R698-D701 HydrophobicContact CB-CB 4.38Å; R698-D701 IonicContact CZ-OD2 2.71Å; R698-D701 VanDerWaalsContact CZ-OD2 3.24Å; R698-D701 IonicContact NE-OD2 2.8Å; R698-D701 PolarHBondContact NE-OD2 3.4Å; R698-D701 IonicContact NH2-OD2 2.66Å; R698-D701 PolarHBondContact NH2-OD2 3.48Å; R698-D701 PolarHBondContact O-N 3.45Å; R698-V702 PolarHBondContact O-N 2.85Å; R698-V702 VanDerWaalsContact O-N 3.15Å; R698-W1009 HydrophobicContact CG-CZ3 4.22Å
699	K	90.2	Very high	89.3	Confident	23 Å²	23	37.6 Å²	37.6	10%	0.1	18%	0.175	C	C	.	.	H	α-helix	trans	-54.9	-38.4	-178.1	-68.4	177.6	-164	-177.3	0	112.4	L697 D701 V702 L703 D735 K736 D737 S738 L739 F1035	L697-K699 PolarHBondContact O-N 3.31Å; K699-D701 VanDerWaalsContact C-N 3.3Å; K699-D701 PolarHBondContact O-N 2.92Å; K699-V702 PolarHBondContact O-N 3.47Å; K699-L703 VanDerWaalsContact O-CB 3.31Å; K699-L703 WeakPolarHBondContact O-CB 3.27Å; K699-L703 VanDerWaalsContact O-CG 3.24Å; K699-L703 WeakPolarHBondContact O-CG 3.49Å; K699-L703 PolarHBondContact O-N 3.08Å; K699-D735 PolarHBondContact NZ-O 2.86Å; K699-K736 WeakPolarHBondContact CD-O 3.4Å; K699-K736 WeakPolarHBondContact CE-O 3.06Å; K699-K736 PolarHBondContact NZ-O 3.35Å; K699-D737 VanDerWaalsContact CB-O 3.26Å; K699-D737 WeakPolarHBondContact CB-O 3.44Å; K699-D737 WeakPolarHBondContact CG-O 3.43Å; K699-D737 PolarHBondContact N-O 3.49Å; K699-S738 WeakPolarHBondContact CE-O 3.29Å; K699-L739 HydrophobicContact CD-CD2 4.18Å; K699-L739 HydrophobicContact CG-CD1 4.32Å; K699-L739 HydrophobicContact CG-CD2 3.82Å; K699-L739 HydrophobicContact CG-CG 3.69Å; K699-F1035 HydrophobicContact CB-CE2 4.14Å; K699-F1035 HydrophobicContact CD-CD2 4.21Å; K699-F1035 HydrophobicContact CD-CE2 4.4Å; K699-F1035 HydrophobicContact CG-CD2 4.34Å; K699-F1035 HydrophobicContact CG-CE2 4.13Å
700	K	87.9	Confident	89	Confident	68 Å²	68	31.6 Å²	31.6	30%	0.296	15%	0.147	S	C	.	.	H	α-helix	trans	-58.1	-40.3	178.6	-171.7	-108.7	-153.4	73.5	0	111.9	R698 N704 W1020	R698-K700 PolarHBondContact O-N 2.94Å; R698-K700 VanDerWaalsContact O-N 3.15Å; K700-N704 VanDerWaalsContact O-CB 3.24Å; K700-N704 WeakPolarHBondContact O-CB 3.33Å; K700-N704 PolarHBondContact O-N 3.01Å; K700-N704 PolarHBondContact O-ND2 3.28Å; K700-N704 PolarHBondContact O-OD1 2.75Å; K700-W1020 VanDerWaalsContact NZ-CD2 3.32Å; K700-W1020 VanDerWaalsContact NZ-CG 3.28Å
701	D	87.2	Confident	88.9	Confident	22 Å²	22	31.7 Å²	31.7	12%	0.118	15%	0.147	C	C	.	.	H	α-helix	trans	-79.1	-39	-179.1	-59.8	-12.8	0	0	0	111.3	R698 K699 L703 R705	R698-D701 HydrophobicContact CB-CB 4.38Å; R698-D701 IonicContact CZ-OD2 2.71Å; R698-D701 VanDerWaalsContact CZ-OD2 3.24Å; R698-D701 IonicContact NE-OD2 2.8Å; R698-D701 PolarHBondContact NE-OD2 3.4Å; R698-D701 IonicContact NH2-OD2 2.66Å; R698-D701 PolarHBondContact NH2-OD2 3.48Å; R698-D701 PolarHBondContact O-N 3.45Å; K699-D701 VanDerWaalsContact C-N 3.3Å; K699-D701 PolarHBondContact O-N 2.92Å; D701-L703 VanDerWaalsContact C-N 3.32Å; D701-L703 PolarHBondContact O-N 2.98Å; D701-R705 WeakPolarHBondContact O-CB 3.42Å; D701-R705 WeakPolarHBondContact O-CG 3.4Å; D701-R705 PolarHBondContact O-N 3.06Å; D701-R705 VanDerWaalsContact O-N 3.09Å
702	V	87.3	Confident	88.5	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.8	-43.1	171.8	175.6	0	0	0	0	111.1	F677 L697 R698 K699 N706 Q707 V708 V711 F1035	F677-V702 HydrophobicContact CB-CG2 4.38Å; L697-V702 HydrophobicContact CB-CG2 4.15Å; L697-V702 HydrophobicContact CD2-CG2 4.26Å; R698-V702 PolarHBondContact O-N 2.85Å; R698-V702 VanDerWaalsContact O-N 3.15Å; K699-V702 PolarHBondContact O-N 3.47Å; V702-N706 PolarHBondContact O-N 3.03Å; V702-Q707 HydrophobicContact CG1-CB 4.38Å; V702-Q707 PolarHBondContact O-N 3.46Å; V702-V708 HydrophobicContact CG1-CG2 4.35Å; V702-V711 HydrophobicContact CG1-CB 4.38Å; V702-V711 HydrophobicContact CG1-CG2 3.75Å; V702-V711 HydrophobicContact CG2-CG2 4.05Å; V702-F1035 HydrophobicContact CG1-CE1 4.24Å; V702-F1035 HydrophobicContact CG1-CZ 3.99Å
703	L	86.3	Confident	88	Confident	32 Å²	32	31.2 Å²	31.2	17%	0.168	15%	0.145	C	C	.	.	H	α-helix	trans	-69.6	-51.3	177.4	-75.2	170.8	0	0	0	112.1	K699 D701 R705 N706 V708 H1030 A1034 F1035	K699-L703 VanDerWaalsContact O-CB 3.31Å; K699-L703 WeakPolarHBondContact O-CB 3.27Å; K699-L703 VanDerWaalsContact O-CG 3.24Å; K699-L703 WeakPolarHBondContact O-CG 3.49Å; K699-L703 PolarHBondContact O-N 3.08Å; D701-L703 VanDerWaalsContact C-N 3.32Å; D701-L703 PolarHBondContact O-N 2.98Å; L703-R705 PolarHBondContact O-N 3.17Å; L703-N706 PolarHBondContact O-N 3.05Å; L703-V708 HydrophobicContact CD2-CG2 3.82Å; L703-H1030 HydrophobicContact CD1-CB 4.41Å; L703-A1034 HydrophobicContact CD2-CB 4.48Å; L703-F1035 HydrophobicContact CD1-CE2 4.19Å; L703-F1035 HydrophobicContact CD2-CE2 4.16Å; L703-F1035 HydrophobicContact CD2-CZ 4.3Å; L703-F1035 HydrophobicContact CG-CE2 4.03Å; L703-F1035 HydrophobicContact CG-CZ 4.23Å
704	N	84.3	Confident	87.7	Confident	77 Å²	77	31.1 Å²	31.1	41%	0.412	14%	0.143	S	C	.	.	H	α-helix	trans	-62.3	-27.4	-176.8	-73.3	-6.2	0	0	0	112.8	K700	K700-N704 VanDerWaalsContact O-CB 3.24Å; K700-N704 WeakPolarHBondContact O-CB 3.33Å; K700-N704 PolarHBondContact O-N 3.01Å; K700-N704 PolarHBondContact O-ND2 3.28Å; K700-N704 PolarHBondContact O-OD1 2.75Å
705	R	82.8	Confident	87.4	Confident	134 Å²	134	32 Å²	32	51%	0.506	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	5.5	176.1	-63.1	175.8	177.5	176.6	7.4	113.9	A676 F677 D701 L703 Q707	A676-R705 PolarHBondContact O-NH1 3.25Å; F677-R705 HydrophobicContact CE1-CB 4.1Å; F677-R705 VanDerWaalsContact CE1-CD 3.46Å; F677-R705 HydrophobicContact CE1-CG 4.43Å; D701-R705 WeakPolarHBondContact O-CB 3.42Å; D701-R705 WeakPolarHBondContact O-CG 3.4Å; D701-R705 PolarHBondContact O-N 3.06Å; D701-R705 VanDerWaalsContact O-N 3.09Å; L703-R705 PolarHBondContact O-N 3.17Å; R705-Q707 VanDerWaalsContact C-N 3.29Å; R705-Q707 HydrophobicContact CB-CG 3.99Å; R705-Q707 PolarHBondContact O-N 3.11Å
706	N	82.4	Confident	87	Confident	78 Å²	78	30.8 Å²	30.8	42%	0.417	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	23.3	179.8	-55.3	-79.5	0	0	0	115.9	V702 L703 V708	V702-N706 PolarHBondContact O-N 3.03Å; L703-N706 PolarHBondContact O-N 3.05Å; N706-V708 VanDerWaalsContact C-N 3.3Å; N706-V708 PolarHBondContact O-N 3.27Å
707	Q	84.4	Confident	86.7	Confident	46 Å²	46	30.1 Å²	30.1	22%	0.215	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	16.5	-171.8	-59.9	-69.2	76.3	0	0	114.5	F677 V702 R705 A709 H710 V711	F677-Q707 HydrophobicContact CE1-CB 4.3Å; F677-Q707 HydrophobicContact CE1-CG 3.63Å; F677-Q707 HydrophobicContact CZ-CB 4.48Å; F677-Q707 HydrophobicContact CZ-CG 3.72Å; V702-Q707 HydrophobicContact CG1-CB 4.38Å; V702-Q707 PolarHBondContact O-N 3.46Å; R705-Q707 VanDerWaalsContact C-N 3.29Å; R705-Q707 HydrophobicContact CB-CG 3.99Å; R705-Q707 PolarHBondContact O-N 3.11Å; Q707-A709 VanDerWaalsContact C-N 3.26Å; Q707-A709 PolarHBondContact O-N 3.03Å; Q707-H710 PolarHBondContact NE2-ND1 2.69Å; Q707-H710 PolarHBondContact O-N 3.34Å; Q707-H710 VanDerWaalsContact O-N 3.09Å; Q707-H710 PolarHBondContact OE1-CE1 3.24Å; Q707-H710 VanDerWaalsContact OE1-CE1 3.3Å; Q707-H710 PolarHBondContact OE1-ND1 3.22Å; Q707-V711 PolarHBondContact O-N 3.16Å; Q707-V711 VanDerWaalsContact O-N 3.15Å
708	V	85.3	Confident	86.6	Confident	2 Å²	2	30 Å²	30	1%	0.012	14%	0.136	C	C	.	.	H	α-helix	trans	-55.9	-41.1	-179.2	177.7	0	0	0	0	111.9	V702 L703 N706 H710 K712 Y823 A1034 F1035	V702-V708 HydrophobicContact CG1-CG2 4.35Å; L703-V708 HydrophobicContact CD2-CG2 3.82Å; N706-V708 VanDerWaalsContact C-N 3.3Å; N706-V708 PolarHBondContact O-N 3.27Å; V708-H710 VanDerWaalsContact C-N 3.33Å; V708-H710 PolarHBondContact O-N 3.18Å; V708-K712 WeakPolarHBondContact O-CB 3.35Å; V708-K712 WeakPolarHBondContact O-CG 3.32Å; V708-K712 PolarHBondContact O-N 2.82Å; V708-Y823 HydrophobicContact CB-CD1 4.22Å; V708-Y823 HydrophobicContact CB-CD2 4Å; V708-Y823 HydrophobicContact CB-CE2 4.38Å; V708-Y823 HydrophobicContact CB-CG 3.9Å; V708-Y823 HydrophobicContact CG1-CD1 3.72Å; V708-Y823 HydrophobicContact CG1-CD2 3.94Å; V708-Y823 HydrophobicContact CG1-CE1 3.68Å; V708-Y823 HydrophobicContact CG1-CE2 3.89Å; V708-Y823 HydrophobicContact CG1-CG 3.86Å; V708-A1034 HydrophobicContact CG1-CB 3.6Å; V708-A1034 HydrophobicContact CG2-CB 4.07Å; V708-F1035 HydrophobicContact CG1-CE1 4.25Å; V708-F1035 HydrophobicContact CG2-CE1 4.36Å; V708-F1035 HydrophobicContact CG2-CZ 4.1Å
709	A	82.9	Confident	86.4	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.1	-36.5	178.2	0	0	0	0	0	113.1	Q707 K712 A713 Y823	Q707-A709 VanDerWaalsContact C-N 3.26Å; Q707-A709 PolarHBondContact O-N 3.03Å; A709-K712 WeakPolarHBondContact O-CB 3.5Å; A709-K712 PolarHBondContact O-N 3Å; A709-A713 WeakPolarHBondContact O-CB 3.39Å; A709-A713 PolarHBondContact O-N 3.38Å; A709-Y823 HydrophobicContact CB-CD2 4.01Å; A709-Y823 HydrophobicContact CB-CE2 4.15Å
710	H	83.5	Confident	86.1	Confident	21 Å²	21	30 Å²	30	10%	0.097	14%	0.143	C	C	.	.	H	α-helix	trans	-71.8	-47.7	179.7	-65.3	151.2	0	0	0	111.4	Q707 V708 K712 A713 E714 G809	Q707-H710 PolarHBondContact NE2-ND1 2.69Å; Q707-H710 PolarHBondContact O-N 3.34Å; Q707-H710 VanDerWaalsContact O-N 3.09Å; Q707-H710 PolarHBondContact OE1-CE1 3.24Å; Q707-H710 VanDerWaalsContact OE1-CE1 3.3Å; Q707-H710 PolarHBondContact OE1-ND1 3.22Å; V708-H710 VanDerWaalsContact C-N 3.33Å; V708-H710 PolarHBondContact O-N 3.18Å; H710-K712 PolarHBondContact O-N 2.75Å; H710-A713 PolarHBondContact O-N 3.49Å; H710-A713 VanDerWaalsContact O-N 3.11Å; H710-E714 WeakPolarHBondContact O-CB 3.41Å; H710-E714 PolarHBondContact O-N 2.86Å; H710-G809 WeakPolarHBondContact CA-O 3.44Å; H710-G809 WeakPolarHBondContact CB-O 3.47Å; H710-G809 PolarHBondContact CD2-O 2.92Å; H710-G809 VanDerWaalsContact CG-O 3.25Å
711	V	89	Confident	86	Confident	7 Å²	7	26.9 Å²	26.9	4%	0.042	13%	0.13	C	C	.	.	H	α-helix	trans	-62.7	-26.8	174.1	178	0	0	0	0	111.8	L697 V702 Q707 R715 L739 F741 F1038	L697-V711 HydrophobicContact CD2-CG1 4.48Å; L697-V711 HydrophobicContact CD2-CG2 3.77Å; V702-V711 HydrophobicContact CG1-CB 4.38Å; V702-V711 HydrophobicContact CG1-CG2 3.75Å; V702-V711 HydrophobicContact CG2-CG2 4.05Å; Q707-V711 PolarHBondContact O-N 3.16Å; Q707-V711 VanDerWaalsContact O-N 3.15Å; V711-R715 WeakPolarHBondContact O-CB 3.32Å; V711-R715 PolarHBondContact O-N 2.82Å; V711-L739 HydrophobicContact CG1-CD1 3.8Å; V711-F741 HydrophobicContact CG1-CE2 4.2Å; V711-F741 HydrophobicContact CG1-CZ 4.03Å; V711-F1038 HydrophobicContact CG1-CD2 4.3Å; V711-F1038 HydrophobicContact CG1-CE2 3.74Å
712	K	85.2	Confident	85.7	Confident	8 Å²	8	31.1 Å²	31.1	4%	0.035	15%	0.153	C	C	.	.	H	α-helix	trans	-73.5	-47.7	170	-84.6	-72.8	-178.5	175.5	0	112.8	V708 A709 H710 E714 R715 D716 A1034 E1037	V708-K712 WeakPolarHBondContact O-CB 3.35Å; V708-K712 WeakPolarHBondContact O-CG 3.32Å; V708-K712 PolarHBondContact O-N 2.82Å; A709-K712 WeakPolarHBondContact O-CB 3.5Å; A709-K712 PolarHBondContact O-N 3Å; H710-K712 PolarHBondContact O-N 2.75Å; K712-E714 VanDerWaalsContact C-N 3.33Å; K712-E714 PolarHBondContact O-N 2.84Å; K712-R715 PolarHBondContact O-N 2.77Å; K712-D716 WeakPolarHBondContact O-CB 3.01Å; K712-D716 PolarHBondContact O-N 3.37Å; K712-A1034 VanDerWaalsContact CE-O 3.27Å; K712-A1034 WeakPolarHBondContact CE-O 3.49Å; K712-E1037 VanDerWaalsContact NZ-C 3.33Å; K712-E1037 PolarHBondContact NZ-O 3.02Å
713	A	84.4	Confident	85.6	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-56.9	-47.1	176.6	0	0	0	0	0	111.6	A709 H710 D716 I717 H818	A709-A713 WeakPolarHBondContact O-CB 3.39Å; A709-A713 PolarHBondContact O-N 3.38Å; H710-A713 PolarHBondContact O-N 3.49Å; H710-A713 VanDerWaalsContact O-N 3.11Å; A713-D716 PolarHBondContact O-N 3.14Å; A713-I717 WeakPolarHBondContact O-CB 3.39Å; A713-I717 WeakPolarHBondContact O-CD1 3.4Å; A713-I717 VanDerWaalsContact O-CG1 3.24Å; A713-I717 WeakPolarHBondContact O-CG1 3.35Å; A713-I717 PolarHBondContact O-N 2.84Å; A713-H818 HydrophobicContact CB-CB 4.16Å
714	E	90.6	Very high	85.8	Confident	6 Å²	6	37.3 Å²	37.3	3%	0.028	18%	0.182	C	C	.	.	H	α-helix	trans	-55.7	-53.6	176.8	-174.4	-177.8	-178.1	0	0	111.9	K695 H710 K712 D716 I717 L718 F741 F808	K695-E714 WeakPolarHBondContact CD-OE1 3.39Å; K695-E714 WeakPolarHBondContact CE-OE1 3.17Å; K695-E714 IonicContact NZ-OE1 2.72Å; K695-E714 PolarHBondContact NZ-OE1 2.9Å; K695-E714 IonicContact NZ-OE2 3.42Å; H710-E714 WeakPolarHBondContact O-CB 3.41Å; H710-E714 PolarHBondContact O-N 2.86Å; K712-E714 VanDerWaalsContact C-N 3.33Å; K712-E714 PolarHBondContact O-N 2.84Å; E714-D716 PolarHBondContact O-N 2.86Å; E714-I717 PolarHBondContact O-N 2.91Å; E714-L718 HydrophobicContact CG-CD1 3.76Å; E714-L718 WeakPolarHBondContact O-CB 3.33Å; E714-L718 VanDerWaalsContact O-CG 3.23Å; E714-L718 WeakPolarHBondContact O-CG 3.45Å; E714-L718 PolarHBondContact O-N 3.39Å; E714-F741 HydrophobicContact CB-CE1 4.4Å; E714-F741 HydrophobicContact CB-CZ 4.29Å; E714-F741 HydrophobicContact CG-CE1 3.96Å; E714-F741 HydrophobicContact CG-CZ 4.05Å; E714-F808 HydrophobicContact CG-CB 4.48Å
715	R	90.3	Very high	86.3	Confident	22 Å²	22	35.1 Å²	35.1	8%	0.083	17%	0.168	C	C	.	.	H	α-helix	trans	-59.8	-47.3	179	-172.5	-148	71.1	123.8	-6.2	112	V711 K712 A719 F741 E1037 F1038	V711-R715 WeakPolarHBondContact O-CB 3.32Å; V711-R715 PolarHBondContact O-N 2.82Å; K712-R715 PolarHBondContact O-N 2.77Å; R715-A719 WeakPolarHBondContact O-CB 3.26Å; R715-A719 PolarHBondContact O-N 3.49Å; R715-F741 HydrophobicContact CB-CE1 3.76Å; R715-F741 HydrophobicContact CB-CZ 4.29Å; R715-F741 HydrophobicContact CG-CE1 4.33Å; R715-E1037 PolarHBondContact NE-O 2.9Å; R715-E1037 PolarHBondContact NH1-O 3.48Å; R715-F1038 HydrophobicContact CB-CE2 4.44Å; R715-F1038 WeakPolarHBondContact CD-O 3.23Å; R715-F1038 HydrophobicContact CG-CE2 4.5Å
716	D	86	Confident	86.8	Confident	6 Å²	6	29 Å²	29	3%	0.032	15%	0.145	C	C	.	.	H	α-helix	trans	-69.1	-35.9	-173.7	-78.4	53.4	0	0	0	111.6	K712 A713 E714 E720 R815	K712-D716 WeakPolarHBondContact O-CB 3.01Å; K712-D716 PolarHBondContact O-N 3.37Å; A713-D716 PolarHBondContact O-N 3.14Å; E714-D716 PolarHBondContact O-N 2.86Å; D716-E720 WeakPolarHBondContact O-CB 3.45Å; D716-E720 VanDerWaalsContact O-CG 3.25Å; D716-E720 WeakPolarHBondContact O-CG 3.29Å; D716-E720 PolarHBondContact O-N 3.41Å; D716-R815 IonicContact OD2-CZ 3.3Å; D716-R815 VanDerWaalsContact OD2-CZ 3.24Å; D716-R815 IonicContact OD2-NH1 3.47Å; D716-R815 PolarHBondContact OD2-NH1 2.85Å; D716-R815 IonicContact OD2-NH2 2.65Å; D716-R815 PolarHBondContact OD2-NH2 3.4Å
717	I	87.4	Confident	87.3	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-70.4	-52.5	175	-65.8	164.5	0	0	0	110.7	A713 E714 A719 E720 A721 F785 F808 C811	A713-I717 WeakPolarHBondContact O-CB 3.39Å; A713-I717 WeakPolarHBondContact O-CD1 3.4Å; A713-I717 VanDerWaalsContact O-CG1 3.24Å; A713-I717 WeakPolarHBondContact O-CG1 3.35Å; A713-I717 PolarHBondContact O-N 2.84Å; E714-I717 PolarHBondContact O-N 2.91Å; I717-A719 PolarHBondContact O-N 2.79Å; I717-E720 PolarHBondContact O-N 2.84Å; I717-A721 WeakPolarHBondContact O-CB 3.43Å; I717-A721 PolarHBondContact O-N 2.7Å; I717-F785 HydrophobicContact CD1-CB 4.2Å; I717-F785 HydrophobicContact CD1-CD1 3.69Å; I717-F785 HydrophobicContact CD1-CD2 4.47Å; I717-F785 HydrophobicContact CD1-CE1 4.19Å; I717-F785 HydrophobicContact CD1-CG 3.87Å; I717-F785 HydrophobicContact CG1-CB 4.46Å; I717-F785 HydrophobicContact CG1-CD1 3.51Å; I717-F785 HydrophobicContact CG1-CD2 3.83Å; I717-F785 HydrophobicContact CG1-CE1 3.56Å; I717-F785 HydrophobicContact CG1-CE2 3.86Å; I717-F785 HydrophobicContact CG1-CG 3.66Å; I717-F785 HydrophobicContact CG1-CZ 3.73Å; I717-F785 HydrophobicContact CG2-CD2 4.28Å; I717-F808 HydrophobicContact CB-CB 4.32Å; I717-F808 HydrophobicContact CB-CD1 4.35Å; I717-F808 HydrophobicContact CB-CG 4.43Å; I717-F808 HydrophobicContact CD1-CB 4.13Å; I717-F808 HydrophobicContact CD1-CD1 4.3Å; I717-F808 HydrophobicContact CG2-CB 4.37Å; I717-F808 HydrophobicContact CG2-CD1 3.53Å; I717-F808 HydrophobicContact CG2-CE1 3.98Å; I717-F808 HydrophobicContact CG2-CG 3.95Å; I717-C811 HydrophobicContact CD1-CB 3.26Å
718	L	90.1	Very high	87.7	Confident	2 Å²	2	25.7 Å²	25.7	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-64.5	-24.6	-178.3	-63.3	170.2	0	0	0	113	E714 V726 V727 L729 F741 F808 R1042	E714-L718 HydrophobicContact CG-CD1 3.76Å; E714-L718 WeakPolarHBondContact O-CB 3.33Å; E714-L718 VanDerWaalsContact O-CG 3.23Å; E714-L718 WeakPolarHBondContact O-CG 3.45Å; E714-L718 PolarHBondContact O-N 3.39Å; L718-V726 HydrophobicContact CD2-CG1 3.86Å; L718-V727 VanDerWaalsContact CD2-O 3.3Å; L718-V727 WeakPolarHBondContact CD2-O 3.37Å; L718-L729 HydrophobicContact CB-CB 3.71Å; L718-L729 HydrophobicContact CB-CD2 4.14Å; L718-L729 HydrophobicContact CB-CG 4.48Å; L718-F741 HydrophobicContact CD1-CD1 4.44Å; L718-F808 HydrophobicContact CD2-CD2 3.5Å; L718-F808 VanDerWaalsContact CD2-CD2 3.5Å; L718-F808 HydrophobicContact CD2-CE2 3.67Å; L718-F808 HydrophobicContact CD2-CG 4.47Å; L718-F808 HydrophobicContact CG-CD2 4.05Å; L718-R1042 PolarHBondContact O-NH2 2.91Å
719	A	87.3	Confident	88	Confident	19 Å²	19	25.6 Å²	25.6	16%	0.157	13%	0.126	C	C	.	.	H	α-helix	trans	-82.4	-20.3	174.6	0	0	0	0	0	114.2	R715 I717 L729 F1040	R715-A719 WeakPolarHBondContact O-CB 3.26Å; R715-A719 PolarHBondContact O-N 3.49Å; I717-A719 PolarHBondContact O-N 2.79Å; A719-L729 HydrophobicContact CB-CD2 4.29Å; A719-F1040 HydrophobicContact CB-CD1 4.12Å; A719-F1040 HydrophobicContact CB-CD2 3.72Å; A719-F1040 HydrophobicContact CB-CE1 4.04Å; A719-F1040 HydrophobicContact CB-CE2 3.65Å; A719-F1040 HydrophobicContact CB-CG 3.96Å; A719-F1040 HydrophobicContact CB-CZ 3.8Å
720	E	83.9	Confident	88.4	Confident	79 Å²	79	26.5 Å²	26.5	37%	0.369	13%	0.13	S	C	.	.	H	α-helix	trans	-101.2	-24.1	178.8	-68.5	-176.2	-155.9	0	0	112.4	K613 D716 I717 D722 R815	K613-E720 IonicContact NZ-OE1 2.79Å; K613-E720 PolarHBondContact NZ-OE1 2.65Å; K613-E720 IonicContact NZ-OE2 3.58Å; K613-E720 PolarHBondContact NZ-OE2 2.67Å; D716-E720 WeakPolarHBondContact O-CB 3.45Å; D716-E720 VanDerWaalsContact O-CG 3.25Å; D716-E720 WeakPolarHBondContact O-CG 3.29Å; D716-E720 PolarHBondContact O-N 3.41Å; I717-E720 PolarHBondContact O-N 2.84Å; E720-D722 PolarHBondContact O-N 2.89Å; E720-R815 IonicContact OE1-NH1 2.9Å
721	A	85.2	Confident	88.7	Confident	4 Å²	4	25.5 Å²	25.5	3%	0.033	13%	0.125	C	C	.	.			trans	-66.3	119.5	169.5	0	0	0	0	0	111.3	I717 V726 M783 R1042	I717-A721 WeakPolarHBondContact O-CB 3.43Å; I717-A721 PolarHBondContact O-N 2.7Å; A721-V726 HydrophobicContact CB-CB 3.91Å; A721-V726 HydrophobicContact CB-CG1 3.63Å; A721-V726 HydrophobicContact CB-CG2 4.33Å; A721-M783 HydrophobicContact CB-CE 4.09Å; A721-M783 HydrophobicContact CB-SD 4.07Å; A721-R1042 PolarHBondContact O-NH1 3.35Å; A721-R1042 PolarHBondContact O-NH2 3.09Å; A721-R1042 VanDerWaalsContact O-NH2 3.09Å
722	D	81.6	Confident	88.9	Confident	111 Å²	111	25.2 Å²	25.2	59%	0.594	12%	0.123	S	C	*	.			trans	-134.6	60.9	171.5	-147.2	28.1	0	0	0	107.3	E720 R1042	E720-D722 PolarHBondContact O-N 2.89Å; D722-R1042 IonicContact OD1-CZ 2.79Å; D722-R1042 IonicContact OD1-NH1 3.79Å; D722-R1042 PolarHBondContact OD1-NH1 3.05Å
723	N	85.3	Confident	89.3	Confident	40 Å²	40	25 Å²	25	21%	0.214	12%	0.122	C	C	.	.	S	Bend	trans	-140.2	167.4	179.6	68.9	63.4	0	0	0	109.2	W725 V726 S779 M783	N723-W725 WeakPolarHBondContact OD1-CB 3.26Å; N723-W725 PolarHBondContact OD1-N 3.06Å; N723-V726 PolarHBondContact OD1-N 3Å; N723-S779 PolarHBondContact ND2-OG 2.85Å; N723-M783 WeakPolarHBondContact ND2-CE 3.09Å
724	E	90.1	Very high	89.6	Confident	121 Å²	121	27.2 Å²	27.2	57%	0.565	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-7	-173.4	-62.7	-179.7	121.8	0	0	114.5	K804	E724-K804 PolarHBondContact O-NZ 3.49Å
725	W	93.9	Very high	89.6	Confident	32 Å²	32	29.7 Å²	29.7	12%	0.121	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-14	-178	-58.9	111.1	0	0	0	114	N723 E772 L775 A776 I803 K804 L805 I980 R981	N723-W725 WeakPolarHBondContact OD1-CB 3.26Å; N723-W725 PolarHBondContact OD1-N 3.06Å; W725-E772 HydrophobicContact CH2-CB 4.33Å; W725-E772 HydrophobicContact CH2-CG 4.26Å; W725-E772 HydrophobicContact CZ3-CB 3.82Å; W725-E772 HydrophobicContact CZ3-CG 4.06Å; W725-L775 HydrophobicContact CD2-CB 4.47Å; W725-L775 HydrophobicContact CH2-CB 4.08Å; W725-L775 HydrophobicContact CH2-CD1 4.02Å; W725-L775 HydrophobicContact CZ2-CB 3.67Å; W725-L775 HydrophobicContact CZ2-CD1 3.77Å; W725-L775 HydrophobicContact CZ2-CG 4.39Å; W725-A776 HydrophobicContact CB-CB 3.82Å; W725-A776 HydrophobicContact CD2-CB 4.12Å; W725-A776 HydrophobicContact CE3-CB 3.89Å; W725-A776 HydrophobicContact CG-CB 4.11Å; W725-I803 HydrophobicContact CZ3-CG1 4.5Å; W725-K804 WeakPolarHBondContact O-CA 3.34Å; W725-L805 PolarHBondContact O-N 3.13Å; W725-I980 HydrophobicContact CH2-CG2 3.73Å; W725-I980 HydrophobicContact CZ2-CG2 4.31Å; W725-R981 HydrophobicContact CH2-CG 3.56Å; W725-R981 HydrophobicContact CZ2-CG 3.94Å; W725-R981 HydrophobicContact CZ3-CG 4.09Å
726	V	94	Very high	89.4	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.024	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-120.8	134.6	-175.7	174.7	0	0	0	0	109.1	L718 A721 N723 K728 V780 M783 F808	L718-V726 HydrophobicContact CD2-CG1 3.86Å; A721-V726 HydrophobicContact CB-CB 3.91Å; A721-V726 HydrophobicContact CB-CG1 3.63Å; A721-V726 HydrophobicContact CB-CG2 4.33Å; N723-V726 PolarHBondContact OD1-N 3Å; V726-K728 PolarHBondContact O-N 3.45Å; V726-V780 HydrophobicContact CG2-CG2 4.13Å; V726-M783 HydrophobicContact CG2-CE 4.34Å; V726-F808 HydrophobicContact CB-CZ 4.24Å; V726-F808 HydrophobicContact CG1-CE1 4.45Å; V726-F808 HydrophobicContact CG1-CE2 3.67Å; V726-F808 HydrophobicContact CG1-CZ 3.57Å; V726-F808 HydrophobicContact CG2-CE1 4.42Å; V726-F808 HydrophobicContact CG2-CZ 3.86Å
727	V	93.3	Very high	89.6	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.006	20%	0.197	C	C	.	.			trans	-54.6	125.1	175.1	167.2	0	0	0	0	110.9	L718 L729 M743 D744 I746 L796 K804 L805	L718-V727 VanDerWaalsContact CD2-O 3.3Å; L718-V727 WeakPolarHBondContact CD2-O 3.37Å; V727-L729 PolarHBondContact O-N 2.97Å; V727-M743 HydrophobicContact CG1-CB 3.74Å; V727-M743 HydrophobicContact CG1-CG 3.78Å; V727-M743 HydrophobicContact CG1-SD 3.81Å; V727-D744 HydrophobicContact CG1-CB 4.39Å; V727-I746 HydrophobicContact CG2-CG1 4.24Å; V727-L796 HydrophobicContact CG2-CD1 4Å; V727-K804 HydrophobicContact CG2-CB 4.01Å; V727-L805 WeakPolarHBondContact CG2-O 3.48Å; V727-L805 PolarHBondContact N-O 2.78Å
728	K	91.6	Very high	89.8	Confident	55 Å²	55	41.2 Å²	41.2	24%	0.239	20%	0.203	C	C	.	.			trans	-81.4	115.3	-170.6	-161.2	173.4	-176.1	177.3	0	110.9	V726 Y730 M743 D744	V726-K728 PolarHBondContact O-N 3.45Å; K728-Y730 HydrophobicContact CB-CE2 4.28Å; K728-Y730 WeakPolarHBondContact O-CD2 3.07Å; K728-Y730 WeakPolarHBondContact O-CE2 3.4Å; K728-Y730 PolarHBondContact O-N 3.2Å; K728-M743 CarbonylContact O-C 3.54Å; K728-M743 WeakPolarHBondContact O-CA 3Å; K728-D744 WeakPolarHBondContact CA-OD2 3.5Å; K728-D744 WeakPolarHBondContact CB-OD2 3.48Å; K728-D744 PolarHBondContact N-OD2 3.03Å; K728-D744 PolarHBondContact O-N 3.15Å; K728-D744 VanDerWaalsContact O-N 3.11Å
729	L	92.9	Very high	90	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	120.2	168.3	-176.5	73.3	0	0	0	110.1	L718 A719 V727 Y731 F741 F1040 R1042	L718-L729 HydrophobicContact CB-CB 3.71Å; L718-L729 HydrophobicContact CB-CD2 4.14Å; L718-L729 HydrophobicContact CB-CG 4.48Å; A719-L729 HydrophobicContact CB-CD2 4.29Å; V727-L729 PolarHBondContact O-N 2.97Å; L729-Y731 WeakPolarHBondContact CD1-O 3.5Å; L729-F741 HydrophobicContact CD1-CB 3.84Å; L729-F741 HydrophobicContact CD1-CD1 3.86Å; L729-F741 HydrophobicContact CD1-CG 4.35Å; L729-F741 HydrophobicContact CD2-CD1 4.43Å; L729-F1040 HydrophobicContact CD2-CD1 3.75Å; L729-F1040 HydrophobicContact CD2-CE1 4.26Å; L729-F1040 HydrophobicContact CD2-CG 4.47Å; L729-F1040 HydrophobicContact CG-CD1 4.08Å; L729-F1040 HydrophobicContact CG-CE1 4.36Å; L729-R1042 PolarHBondContact O-NE 3.17Å; L729-R1042 PolarHBondContact O-NH2 2.89Å
730	Y	90.2	Very high	90.3	Very high	18 Å²	18	40.4 Å²	40.4	7%	0.071	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-48	172.3	-65.6	-94.6	0	0	0	110.5	Y692 K728 V742 D744 R1041 R1042 P1050	Y692-Y730 AromaticContact CD1-CD2 3.81Å; Y692-Y730 HydrophobicContact CD1-CD2 3.81Å; Y692-Y730 HydrophobicContact CD1-CE2 4.15Å; Y692-Y730 HydrophobicContact CD1-CG 4.36Å; Y692-Y730 HydrophobicContact CE1-CD1 4.14Å; Y692-Y730 AromaticContact CE1-CD2 3.56Å; Y692-Y730 HydrophobicContact CE1-CD2 3.56Å; Y692-Y730 HydrophobicContact CE1-CE1 4.43Å; Y692-Y730 AromaticContact CE1-CE2 3.9Å; Y692-Y730 HydrophobicContact CE1-CE2 3.9Å; Y692-Y730 AromaticContact CE1-CG 3.72Å; Y692-Y730 HydrophobicContact CE1-CG 3.72Å; K728-Y730 HydrophobicContact CB-CE2 4.28Å; K728-Y730 WeakPolarHBondContact O-CD2 3.07Å; K728-Y730 WeakPolarHBondContact O-CE2 3.4Å; K728-Y730 PolarHBondContact O-N 3.2Å; Y730-V742 PolarHBondContact N-O 2.79Å; Y730-D744 WeakPolarHBondContact CE2-OD1 3.49Å; Y730-D744 PolarHBondContact OH-OD1 3.45Å; Y730-R1041 CarbonylContact O-C 3.52Å; Y730-R1041 WeakPolarHBondContact O-CA 3.28Å; Y730-R1042 PolarHBondContact O-N 2.65Å; Y730-P1050 HydrophobicContact CE2-CB 4.37Å
731	Y	90.9	Very high	90.9	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	146.1	-173.7	-36.1	-61.1	0	0	0	110.7	M661 F666 K685 L729 V742 F1040 R1041 D1045	M661-Y731 HydrophobicContact CE-CD1 4.08Å; M661-Y731 HydrophobicContact CE-CD2 3.63Å; M661-Y731 HydrophobicContact CE-CE2 4.23Å; M661-Y731 HydrophobicContact CE-CG 3.52Å; M661-Y731 HydrophobicContact SD-CD1 3.92Å; M661-Y731 HydrophobicContact SD-CG 3.84Å; F666-Y731 HydrophobicContact CE1-CD2 4.43Å; F666-Y731 HydrophobicContact CE1-CE2 4.42Å; F666-Y731 AromaticContact CZ-CD2 3.83Å; F666-Y731 HydrophobicContact CZ-CD2 3.83Å; F666-Y731 HydrophobicContact CZ-CE2 4.05Å; K685-Y731 HydrophobicContact CD-CE2 3.86Å; K685-Y731 WeakPolarHBondContact CE-OH 3.42Å; L729-Y731 WeakPolarHBondContact CD1-O 3.5Å; Y731-V742 HydrophobicContact CD2-CB 3.82Å; Y731-V742 HydrophobicContact CD2-CG1 3.8Å; Y731-V742 HydrophobicContact CD2-CG2 4.32Å; Y731-V742 HydrophobicContact CE2-CG1 4.35Å; Y731-V742 HydrophobicContact CG-CB 4.47Å; Y731-V742 PolarHBondContact N-O 2.73Å; Y731-V742 PolarHBondContact O-N 3.02Å; Y731-F1040 WeakPolarHBondContact CA-O 3.46Å; Y731-R1041 HydrophobicContact CD1-CB 4.41Å; Y731-R1041 HydrophobicContact CD1-CG 3.81Å; Y731-R1041 HydrophobicContact CE1-CG 4.09Å; Y731-D1045 WeakPolarHBondContact CE1-OD2 3.4Å; Y731-D1045 VanDerWaalsContact OH-CG 3.26Å; Y731-D1045 PolarHBondContact OH-OD1 3.1Å; Y731-D1045 PolarHBondContact OH-OD2 2.9Å; Y731-D1045 VanDerWaalsContact OH-OD2 3.05Å
732	S	93	Very high	91.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	143.4	155.3	63.8	0	0	0	0	109.8	Y740 F1038 T1039 F1040	S732-Y740 CarbonylContact C-O 3.56Å; S732-Y740 WeakPolarHBondContact CA-O 3.46Å; S732-Y740 WeakPolarHBondContact CB-O 3.43Å; S732-F1038 PolarHBondContact OG-O 3.41Å; S732-T1039 CarbonylContact O-C 3.58Å; S732-T1039 WeakPolarHBondContact O-CA 3.4Å; S732-T1039 WeakPolarHBondContact O-CG2 3.37Å; S732-F1040 PolarHBondContact N-O 3.39Å; S732-F1040 PolarHBondContact O-N 3.03Å; S732-F1040 WeakPolarHBondContact OG-CB 2.92Å; S732-F1040 PolarHBondContact OG-N 3.27Å
733	F	92.4	Very high	91.9	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	174.7	-177.6	63.9	-87.7	0	0	0	111.4	M661 F666 M694 Y740 V742 F1038	M661-F733 HydrophobicContact CB-CB 4.01Å; M661-F733 HydrophobicContact CB-CD1 4.02Å; M661-F733 HydrophobicContact CB-CD2 4.38Å; M661-F733 HydrophobicContact CB-CG 3.89Å; M661-F733 HydrophobicContact CE-CD1 4.1Å; M661-F733 HydrophobicContact CE-CE1 4.18Å; F666-F733 HydrophobicContact CD2-CE1 4.26Å; F666-F733 HydrophobicContact CD2-CZ 4.04Å; F666-F733 AromaticContact CE2-CE1 3.72Å; F666-F733 HydrophobicContact CE2-CE1 3.72Å; F666-F733 AromaticContact CE2-CZ 3.93Å; F666-F733 HydrophobicContact CE2-CZ 3.93Å; F666-F733 HydrophobicContact CZ-CE1 4.48Å; M694-F733 HydrophobicContact CE-CZ 3.85Å; F733-Y740 AromaticContact CD2-CD2 3.56Å; F733-Y740 HydrophobicContact CD2-CD2 3.56Å; F733-Y740 HydrophobicContact CD2-CE2 4.36Å; F733-Y740 HydrophobicContact CD2-CG 4.13Å; F733-Y740 HydrophobicContact CE1-CG 4.48Å; F733-Y740 AromaticContact CE2-CD2 3.33Å; F733-Y740 HydrophobicContact CE2-CD2 3.33Å; F733-Y740 AromaticContact CE2-CE2 3.99Å; F733-Y740 HydrophobicContact CE2-CE2 3.99Å; F733-Y740 AromaticContact CE2-CG 3.67Å; F733-Y740 HydrophobicContact CE2-CG 3.67Å; F733-Y740 HydrophobicContact CG-CD2 4.39Å; F733-Y740 HydrophobicContact CZ-CD2 4.04Å; F733-Y740 AromaticContact CZ-CG 3.87Å; F733-Y740 HydrophobicContact CZ-CG 3.87Å; F733-Y740 PolarHBondContact N-O 2.93Å; F733-Y740 PolarHBondContact O-N 3.45Å; F733-V742 HydrophobicContact CE1-CG2 3.81Å; F733-F1038 WeakPolarHBondContact O-CD1 3.15Å; F733-F1038 WeakPolarHBondContact O-CE1 3.19Å
734	Q	91.9	Very high	92.3	Very high	46 Å²	46	30.8 Å²	30.8	22%	0.215	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	151.6	-177.4	69.9	-173.6	-66.2	0	0	110.8	S738 L739 F1035 F1038	Q734-S738 WeakPolarHBondContact CA-O 3.36Å; Q734-S738 WeakPolarHBondContact CB-O 3.23Å; Q734-L739 HydrophobicContact CB-CD2 3.81Å; Q734-F1035 PolarHBondContact NE2-O 3.47Å; Q734-F1038 HydrophobicContact CB-CD1 4.3Å
735	D	90	Very high	92.5	Very high	58 Å²	58	25.6 Å²	25.6	31%	0.31	12%	0.122	S	C	.	.			trans	-104.4	-141.7	167.9	58.1	33	0	0	0	110	K699 D737 S738 Y740	K699-D735 PolarHBondContact NZ-O 2.86Å; D735-D737 PolarHBondContact OD1-N 2.84Å; D735-S738 PolarHBondContact N-O 3.44Å; D735-S738 PolarHBondContact OD1-N 3.02Å; D735-Y740 HydrophobicContact CB-CE2 4.38Å; D735-Y740 WeakPolarHBondContact OD2-CE2 3.38Å; D735-Y740 VanDerWaalsContact OD2-CZ 3.29Å; D735-Y740 PolarHBondContact OD2-OH 3.36Å
736	K	87.1	Confident	92.6	Very high	160 Å²	160	24.6 Å²	24.6	70%	0.696	12%	0.118	S	C	*	.	S	Bend	trans	-71.2	-48.9	172.6	-177.8	-169.3	162.1	-156.7	0	111	K699	K699-K736 WeakPolarHBondContact CD-O 3.4Å; K699-K736 WeakPolarHBondContact CE-O 3.06Å; K699-K736 PolarHBondContact NZ-O 3.35Å
737	D	89	Confident	92.5	Very high	92 Å²	92	24.5 Å²	24.5	49%	0.492	12%	0.118	S	C	.	.	S	Bend	trans	-115.5	-19.3	-158.1	-54.6	-63.4	0	0	0	113.8	K699 D735	K699-D737 VanDerWaalsContact CB-O 3.26Å; K699-D737 WeakPolarHBondContact CB-O 3.44Å; K699-D737 WeakPolarHBondContact CG-O 3.43Å; K699-D737 PolarHBondContact N-O 3.49Å; D735-D737 PolarHBondContact OD1-N 2.84Å
738	S	92.3	Very high	92.5	Very high	18 Å²	18	24.5 Å²	24.5	13%	0.126	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	158.8	-174	-70.2	0	0	0	0	114.3	L697 K699 Q734 D735 Y740	L697-S738 CarbonylContact O-C 3.52Å; L697-S738 WeakPolarHBondContact O-CA 3.4Å; K699-S738 WeakPolarHBondContact CE-O 3.29Å; Q734-S738 WeakPolarHBondContact CA-O 3.36Å; Q734-S738 WeakPolarHBondContact CB-O 3.23Å; D735-S738 PolarHBondContact N-O 3.44Å; D735-S738 PolarHBondContact OD1-N 3.02Å; S738-Y740 WeakPolarHBondContact CB-OH 3.02Å
739	L	93.5	Very high	92.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139	173.5	-55.3	174.9	0	0	0	108.8	T696 L697 K699 V711 Q734 F1035 F1038	T696-L739 CarbonylContact C-O 3.53Å; T696-L739 WeakPolarHBondContact CA-O 3.29Å; L697-L739 HydrophobicContact CB-CB 4.42Å; L697-L739 PolarHBondContact N-O 3.37Å; L697-L739 PolarHBondContact O-N 2.62Å; K699-L739 HydrophobicContact CD-CD2 4.18Å; K699-L739 HydrophobicContact CG-CD1 4.32Å; K699-L739 HydrophobicContact CG-CD2 3.82Å; K699-L739 HydrophobicContact CG-CG 3.69Å; V711-L739 HydrophobicContact CG1-CD1 3.8Å; Q734-L739 HydrophobicContact CB-CD2 3.81Å; L739-F1035 HydrophobicContact CD1-CD1 3.81Å; L739-F1035 HydrophobicContact CD1-CE1 3.59Å; L739-F1035 HydrophobicContact CD1-CG 4.48Å; L739-F1035 HydrophobicContact CD1-CZ 4.07Å; L739-F1035 HydrophobicContact CD2-CB 4.33Å; L739-F1035 HydrophobicContact CD2-CD1 4.1Å; L739-F1035 HydrophobicContact CD2-CG 4.07Å; L739-F1038 HydrophobicContact CB-CD1 4.23Å; L739-F1038 HydrophobicContact CB-CE1 3.77Å; L739-F1038 HydrophobicContact CB-CE2 4.25Å; L739-F1038 HydrophobicContact CB-CZ 3.8Å; L739-F1038 HydrophobicContact CD1-CD2 4.33Å; L739-F1038 HydrophobicContact CD1-CE2 4.3Å; L739-F1038 HydrophobicContact CD2-CB 4.33Å; L739-F1038 HydrophobicContact CD2-CD1 3.83Å; L739-F1038 HydrophobicContact CD2-CD2 4.23Å; L739-F1038 HydrophobicContact CD2-CE1 4.26Å; L739-F1038 HydrophobicContact CD2-CG 3.82Å
740	Y	94.7	Very high	92.5	Very high	5 Å²	5	23.1 Å²	23.1	2%	0.02	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	125.7	-175.7	-56.8	-79.2	0	0	0	111	K663 M694 K695 T696 S732 F733 D735 S738 F1038	K663-Y740 HydrophobicContact CD-CE1 4.14Å; K663-Y740 HydrophobicContact CG-CE1 4.24Å; M694-Y740 HydrophobicContact CE-CD1 3.3Å; M694-Y740 HydrophobicContact CE-CE1 3.84Å; M694-Y740 HydrophobicContact CE-CG 3.92Å; K695-Y740 WeakPolarHBondContact O-CA 3.48Å; T696-Y740 HydrophobicContact CG2-CD1 3.89Å; T696-Y740 HydrophobicContact CG2-CE1 3.42Å; T696-Y740 VanDerWaalsContact CG2-CE1 3.42Å; T696-Y740 WeakPolarHBondContact OG1-CD1 3.33Å; T696-Y740 WeakPolarHBondContact OG1-CE1 3.25Å; S732-Y740 CarbonylContact C-O 3.56Å; S732-Y740 WeakPolarHBondContact CA-O 3.46Å; S732-Y740 WeakPolarHBondContact CB-O 3.43Å; F733-Y740 AromaticContact CD2-CD2 3.56Å; F733-Y740 HydrophobicContact CD2-CD2 3.56Å; F733-Y740 HydrophobicContact CD2-CE2 4.36Å; F733-Y740 HydrophobicContact CD2-CG 4.13Å; F733-Y740 HydrophobicContact CE1-CG 4.48Å; F733-Y740 AromaticContact CE2-CD2 3.33Å; F733-Y740 HydrophobicContact CE2-CD2 3.33Å; F733-Y740 AromaticContact CE2-CE2 3.99Å; F733-Y740 HydrophobicContact CE2-CE2 3.99Å; F733-Y740 AromaticContact CE2-CG 3.67Å; F733-Y740 HydrophobicContact CE2-CG 3.67Å; F733-Y740 HydrophobicContact CG-CD2 4.39Å; F733-Y740 HydrophobicContact CZ-CD2 4.04Å; F733-Y740 AromaticContact CZ-CG 3.87Å; F733-Y740 HydrophobicContact CZ-CG 3.87Å; F733-Y740 PolarHBondContact N-O 2.93Å; F733-Y740 PolarHBondContact O-N 3.45Å; D735-Y740 HydrophobicContact CB-CE2 4.38Å; D735-Y740 WeakPolarHBondContact OD2-CE2 3.38Å; D735-Y740 VanDerWaalsContact OD2-CZ 3.29Å; D735-Y740 PolarHBondContact OD2-OH 3.36Å; S738-Y740 WeakPolarHBondContact CB-OH 3.02Å; Y740-F1038 WeakPolarHBondContact O-CE1 3.49Å
741	F	95.1	Very high	92.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	137.4	163	-59	-107.2	0	0	0	108.6	M694 K695 L697 V711 E714 R715 L718 L729 M743 F1038	M694-F741 CarbonylContact C-O 3.53Å; M694-F741 WeakPolarHBondContact CA-O 3.48Å; K695-F741 HydrophobicContact CB-CB 4.26Å; K695-F741 HydrophobicContact CB-CD2 4.48Å; K695-F741 PolarHBondContact N-O 3.36Å; K695-F741 PolarHBondContact O-N 3.41Å; L697-F741 HydrophobicContact CD1-CD2 3.58Å; L697-F741 HydrophobicContact CD1-CE2 3.52Å; L697-F741 HydrophobicContact CD2-CE2 4.42Å; V711-F741 HydrophobicContact CG1-CE2 4.2Å; V711-F741 HydrophobicContact CG1-CZ 4.03Å; E714-F741 HydrophobicContact CB-CE1 4.4Å; E714-F741 HydrophobicContact CB-CZ 4.29Å; E714-F741 HydrophobicContact CG-CE1 3.96Å; E714-F741 HydrophobicContact CG-CZ 4.05Å; R715-F741 HydrophobicContact CB-CE1 3.76Å; R715-F741 HydrophobicContact CB-CZ 4.29Å; R715-F741 HydrophobicContact CG-CE1 4.33Å; L718-F741 HydrophobicContact CD1-CD1 4.44Å; L729-F741 HydrophobicContact CD1-CB 3.84Å; L729-F741 HydrophobicContact CD1-CD1 3.86Å; L729-F741 HydrophobicContact CD1-CG 4.35Å; L729-F741 HydrophobicContact CD2-CD1 4.43Å; F741-M743 HydrophobicContact CB-CE 3.57Å; F741-M743 HydrophobicContact CG-CE 4.41Å; F741-F1038 HydrophobicContact CD1-CZ 4.35Å; F741-F1038 AromaticContact CD2-CZ 3.84Å; F741-F1038 HydrophobicContact CD2-CZ 3.84Å; F741-F1038 HydrophobicContact CE1-CE2 4.19Å; F741-F1038 HydrophobicContact CE1-CZ 4.12Å; F741-F1038 AromaticContact CE2-CE2 3.85Å; F741-F1038 HydrophobicContact CE2-CE2 3.85Å; F741-F1038 AromaticContact CE2-CZ 3.55Å; F741-F1038 HydrophobicContact CE2-CZ 3.55Å; F741-F1038 HydrophobicContact CG-CZ 4.24Å; F741-F1038 AromaticContact CZ-CE2 3.65Å; F741-F1038 HydrophobicContact CZ-CE2 3.65Å; F741-F1038 AromaticContact CZ-CZ 3.72Å; F741-F1038 HydrophobicContact CZ-CZ 3.72Å
742	V	95	Very high	92.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	112.5	174.8	-175.6	0	0	0	0	108.1	F666 Y692 M694 Y730 Y731 F733	F666-V742 HydrophobicContact CD1-CG1 4.5Å; F666-V742 HydrophobicContact CE1-CG1 3.72Å; F666-V742 HydrophobicContact CE1-CG2 4.12Å; F666-V742 HydrophobicContact CE2-CG2 4.25Å; F666-V742 HydrophobicContact CZ-CG1 4.11Å; F666-V742 HydrophobicContact CZ-CG2 3.9Å; Y692-V742 HydrophobicContact CD1-CG1 3.77Å; Y692-V742 HydrophobicContact CD2-CG1 3.97Å; Y692-V742 HydrophobicContact CE1-CG1 4.46Å; Y692-V742 HydrophobicContact CG-CG1 3.47Å; Y692-V742 VanDerWaalsContact CG-CG1 3.47Å; M694-V742 HydrophobicContact CG-CG2 4.32Å; M694-V742 HydrophobicContact SD-CG2 4.49Å; Y730-V742 PolarHBondContact N-O 2.79Å; Y731-V742 HydrophobicContact CD2-CB 3.82Å; Y731-V742 HydrophobicContact CD2-CG1 3.8Å; Y731-V742 HydrophobicContact CD2-CG2 4.32Å; Y731-V742 HydrophobicContact CE2-CG1 4.35Å; Y731-V742 HydrophobicContact CG-CB 4.47Å; Y731-V742 PolarHBondContact N-O 2.73Å; Y731-V742 PolarHBondContact O-N 3.02Å; F733-V742 HydrophobicContact CE1-CG2 3.81Å
743	M	94.6	Very high	92.4	Very high	11 Å²	11	25.7 Å²	25.7	5%	0.054	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	172.8	-167.6	68.7	-168.8	71.8	0	0	111.4	Y692 A693 K695 V727 K728 F741 Y745	Y692-M743 WeakPolarHBondContact CA-O 3.45Å; Y692-M743 WeakPolarHBondContact CB-O 3.45Å; A693-M743 HydrophobicContact CB-CG 3.82Å; A693-M743 PolarHBondContact N-O 3.35Å; A693-M743 PolarHBondContact O-N 2.68Å; K695-M743 HydrophobicContact CB-CE 3.86Å; K695-M743 HydrophobicContact CD-CE 4.25Å; V727-M743 HydrophobicContact CG1-CB 3.74Å; V727-M743 HydrophobicContact CG1-CG 3.78Å; V727-M743 HydrophobicContact CG1-SD 3.81Å; K728-M743 CarbonylContact O-C 3.54Å; K728-M743 WeakPolarHBondContact O-CA 3Å; F741-M743 HydrophobicContact CB-CE 3.57Å; F741-M743 HydrophobicContact CG-CE 4.41Å; M743-Y745 PolarHBondContact O-N 2.96Å
744	D	92.7	Very high	92.4	Very high	20 Å²	20	25.6 Å²	25.6	11%	0.107	13%	0.128	C	C	.	.			trans	-49.1	139.2	174.2	-64.3	-43.4	0	0	0	111.1	A693 V727 K728 Y730 I746	A693-D744 WeakPolarHBondContact CB-O 3.45Å; V727-D744 HydrophobicContact CG1-CB 4.39Å; K728-D744 WeakPolarHBondContact CA-OD2 3.5Å; K728-D744 WeakPolarHBondContact CB-OD2 3.48Å; K728-D744 PolarHBondContact N-OD2 3.03Å; K728-D744 PolarHBondContact O-N 3.15Å; K728-D744 VanDerWaalsContact O-N 3.11Å; Y730-D744 WeakPolarHBondContact CE2-OD1 3.49Å; Y730-D744 PolarHBondContact OH-OD1 3.45Å; D744-I746 HydrophobicContact CB-CD1 3.69Å; D744-I746 HydrophobicContact CB-CG1 4.22Å
745	Y	94.8	Very high	92.3	Very high	13 Å²	13	24 Å²	24	5%	0.051	12%	0.121	C	C	.	.			trans	-86.8	123.8	162.9	177.4	-126.1	0	0	0	109	L672 L682 M743 P747 D996 T997 F1000	L672-Y745 HydrophobicContact CD1-CD2 3.89Å; L672-Y745 HydrophobicContact CD1-CE2 3.65Å; L672-Y745 HydrophobicContact CD2-CE2 4.05Å; L682-Y745 HydrophobicContact CD1-CD1 3.66Å; L682-Y745 HydrophobicContact CD1-CD2 3.81Å; L682-Y745 HydrophobicContact CD1-CE1 3.88Å; L682-Y745 HydrophobicContact CD1-CE2 4.05Å; L682-Y745 HydrophobicContact CD1-CG 3.62Å; L682-Y745 HydrophobicContact CD2-CE1 4.33Å; M743-Y745 PolarHBondContact O-N 2.96Å; Y745-P747 HydrophobicContact CE1-CB 3.98Å; Y745-D996 PolarHBondContact OH-O 2.99Å; Y745-T997 WeakPolarHBondContact OH-CG2 3.33Å; Y745-F1000 AromaticContact CE2-CE2 3.91Å; Y745-F1000 HydrophobicContact CE2-CE2 3.91Å; Y745-F1000 AromaticContact CE2-CZ 3.86Å; Y745-F1000 HydrophobicContact CE2-CZ 3.86Å
746	I	94.9	Very high	92.1	Very high	10 Å²	10	26.4 Å²	26.4	5%	0.051	13%	0.133	C	C	.	.			trans	-113.9	99.1	-174.5	-56.7	-58.5	0	0	0	108.3	V727 D744 G748 L796 I797 D798 K804 F1000	V727-I746 HydrophobicContact CG2-CG1 4.24Å; D744-I746 HydrophobicContact CB-CD1 3.69Å; D744-I746 HydrophobicContact CB-CG1 4.22Å; I746-G748 PolarHBondContact O-N 3.21Å; I746-L796 HydrophobicContact CB-CB 4.24Å; I746-L796 HydrophobicContact CB-CD1 4.02Å; I746-L796 HydrophobicContact CG1-CD1 4.08Å; I746-L796 HydrophobicContact CG2-CB 3.64Å; I746-L796 HydrophobicContact CG2-CD1 4.36Å; I746-I797 VanDerWaalsContact CG2-C 3.49Å; I746-I797 WeakPolarHBondContact CG2-O 3.12Å; I746-D798 HydrophobicContact CG2-CB 4.35Å; I746-K804 HydrophobicContact CD1-CD 3.83Å; I746-F1000 VanDerWaalsContact O-CZ 3.3Å; I746-F1000 WeakPolarHBondContact O-CZ 3.43Å
747	P	93.4	Very high	92.2	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.019	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-11.8	-163.9	31.8	-39.3	0	0	0	115.7	Y745 G749 L799 I991 N999 F1051	Y745-P747 HydrophobicContact CE1-CB 3.98Å; P747-G749 PolarHBondContact O-N 3.11Å; P747-L799 HydrophobicContact CG-CB 4.13Å; P747-I991 HydrophobicContact CB-CD1 3.92Å; P747-I991 HydrophobicContact CB-CG1 4.22Å; P747-I991 HydrophobicContact CB-CG2 4.4Å; P747-I991 HydrophobicContact CG-CD1 3.56Å; P747-I991 HydrophobicContact CG-CG1 4.4Å; P747-N999 PolarHBondContact O-ND2 3.21Å; P747-F1051 HydrophobicContact CG-CE2 4.09Å
748	G	93.4	Very high	92.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-1.2	-179.3	0	0	0	0	0	114.9	I746 I797 N999	I746-G748 PolarHBondContact O-N 3.21Å; G748-I797 WeakPolarHBondContact CA-O 3.38Å; G748-I797 PolarHBondContact N-O 3.32Å; G748-I797 VanDerWaalsContact N-O 3.1Å; G748-N999 VanDerWaalsContact C-CB 3.47Å; G748-N999 WeakPolarHBondContact O-CB 3.46Å
749	G	91.9	Very high	92.1	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.01	14%	0.143	C	C	.	.			trans	76.7	-150.9	-175	0	0	0	0	0	112.3	P747 L796 I797 N999	P747-G749 PolarHBondContact O-N 3.11Å; G749-L796 CarbonylContact O-C 3.6Å; G749-L796 WeakPolarHBondContact O-CA 3.37Å; G749-I797 PolarHBondContact O-N 2.87Å; G749-N999 WeakPolarHBondContact CA-O 3.46Å
750	D	92.3	Very high	92.1	Very high	26 Å²	26	33.4 Å²	33.4	14%	0.139	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-120.3	168	-179	70	85.4	0	0	0	113.1	M752 S753 L754 I795 L796	D750-M752 VanDerWaalsContact C-N 3.34Å; D750-M752 PolarHBondContact O-N 3.11Å; D750-M752 VanDerWaalsContact OD1-CA 3.26Å; D750-M752 WeakPolarHBondContact OD1-CA 3.4Å; D750-M752 WeakPolarHBondContact OD1-CB 3.41Å; D750-M752 PolarHBondContact OD1-N 3.18Å; D750-S753 PolarHBondContact O-N 3.28Å; D750-S753 PolarHBondContact OD1-N 2.78Å; D750-S753 PolarHBondContact OD1-OG 2.83Å; D750-S753 WeakPolarHBondContact OD2-CB 3.5Å; D750-S753 PolarHBondContact OD2-OG 3.41Å; D750-L754 PolarHBondContact O-N 2.84Å; D750-L754 VanDerWaalsContact O-N 3.14Å; D750-I795 CarbonylContact C-O 3.41Å; D750-I795 WeakPolarHBondContact CA-O 3.3Å; D750-L796 HydrophobicContact CB-CD2 3.77Å
751	M	94.7	Very high	92.2	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-71.9	-24.7	-177	-167.6	65.8	66.4	0	0	113	L754 L755 F761 Y769 P792 I795 I797 I803 M904	M751-L754 PolarHBondContact O-N 2.96Å; M751-L754 HydrophobicContact SD-CD2 4.19Å; M751-L755 HydrophobicContact CG-CD1 4.44Å; M751-L755 WeakPolarHBondContact O-CB 3.33Å; M751-L755 VanDerWaalsContact O-CG 3.29Å; M751-L755 WeakPolarHBondContact O-CG 3.33Å; M751-L755 PolarHBondContact O-N 3.1Å; M751-F761 HydrophobicContact SD-CE2 3.6Å; M751-F761 HydrophobicContact SD-CZ 3.68Å; M751-Y769 HydrophobicContact CE-CD1 3.9Å; M751-Y769 HydrophobicContact CE-CD2 3.7Å; M751-Y769 HydrophobicContact CE-CE1 4.16Å; M751-Y769 HydrophobicContact CE-CE2 3.95Å; M751-Y769 HydrophobicContact CE-CG 3.68Å; M751-Y769 HydrophobicContact SD-CD2 4.08Å; M751-Y769 HydrophobicContact SD-CE2 4.29Å; M751-P792 HydrophobicContact CB-CB 4.03Å; M751-P792 WeakPolarHBondContact CB-O 3.17Å; M751-P792 HydrophobicContact CG-CB 4.27Å; M751-P792 PolarHBondContact N-O 3.29Å; M751-I795 HydrophobicContact CB-CB 3.92Å; M751-I795 HydrophobicContact CB-CG2 4.08Å; M751-I795 HydrophobicContact CE-CG2 3.98Å; M751-I795 PolarHBondContact N-O 3.43Å; M751-I797 HydrophobicContact CE-CD1 3.94Å; M751-I797 HydrophobicContact CE-CG1 4.18Å; M751-I797 HydrophobicContact SD-CD1 4.27Å; M751-I803 HydrophobicContact CE-CG2 3.79Å; M751-M904 HydrophobicContact CE-CE 4.42Å; M751-M904 HydrophobicContact CG-CE 4.03Å; M751-M904 HydrophobicContact SD-CE 3.93Å
752	M	89.6	Confident	92.2	Very high	57 Å²	57	36 Å²	36	28%	0.281	18%	0.18	S	C	.	.	H	α-helix	trans	-67.3	-47.1	172.8	-166.7	66.1	-171	0	0	109.7	D750 L754 L755 I756 P792	D750-M752 VanDerWaalsContact C-N 3.34Å; D750-M752 PolarHBondContact O-N 3.11Å; D750-M752 VanDerWaalsContact OD1-CA 3.26Å; D750-M752 WeakPolarHBondContact OD1-CA 3.4Å; D750-M752 WeakPolarHBondContact OD1-CB 3.41Å; D750-M752 PolarHBondContact OD1-N 3.18Å; M752-L754 PolarHBondContact O-N 2.66Å; M752-L755 PolarHBondContact O-N 2.71Å; M752-I756 HydrophobicContact CE-CD1 4.2Å; M752-I756 HydrophobicContact CE-CG1 4.34Å; M752-I756 HydrophobicContact CG-CD1 4Å; M752-I756 VanDerWaalsContact O-CG1 3.3Å; M752-I756 WeakPolarHBondContact O-CG1 3.09Å; M752-I756 PolarHBondContact O-N 2.85Å; M752-P792 HydrophobicContact CB-CB 3.9Å; M752-P792 HydrophobicContact SD-CB 4.09Å; M752-P792 HydrophobicContact SD-CG 4.32Å
753	S	88.1	Confident	92.2	Very high	14 Å²	14	38.4 Å²	38.4	10%	0.098	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-25.1	174.2	-61.1	0	0	0	0	113.3	D750 R757	D750-S753 PolarHBondContact O-N 3.28Å; D750-S753 PolarHBondContact OD1-N 2.78Å; D750-S753 PolarHBondContact OD1-OG 2.83Å; D750-S753 WeakPolarHBondContact OD2-CB 3.5Å; D750-S753 PolarHBondContact OD2-OG 3.41Å; S753-R757 WeakPolarHBondContact O-CG 3.37Å; S753-R757 PolarHBondContact O-NE 3.38Å
754	L	91.4	Very high	92.2	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-80.8	-42.8	170.8	-173	59.5	0	0	0	112.6	D750 M751 M752 I756 R757 M758 F761 Y769 I797 Y987	D750-L754 PolarHBondContact O-N 2.84Å; D750-L754 VanDerWaalsContact O-N 3.14Å; M751-L754 PolarHBondContact O-N 2.96Å; M751-L754 HydrophobicContact SD-CD2 4.19Å; M752-L754 PolarHBondContact O-N 2.66Å; L754-I756 PolarHBondContact O-N 3.49Å; L754-R757 PolarHBondContact O-N 2.95Å; L754-M758 HydrophobicContact CD1-CG 4.06Å; L754-M758 HydrophobicContact CD1-SD 3.86Å; L754-M758 HydrophobicContact CG-CG 4.5Å; L754-M758 HydrophobicContact CG-SD 4.12Å; L754-M758 PolarHBondContact O-N 3.14Å; L754-F761 HydrophobicContact CB-CZ 4.22Å; L754-F761 HydrophobicContact CD2-CE1 4.37Å; L754-F761 HydrophobicContact CD2-CE2 4.45Å; L754-F761 HydrophobicContact CD2-CZ 3.74Å; L754-F761 HydrophobicContact CG-CE1 3.94Å; L754-F761 HydrophobicContact CG-CZ 3.69Å; L754-Y769 HydrophobicContact CD2-CE2 4.04Å; L754-I797 HydrophobicContact CB-CD1 4.16Å; L754-I797 HydrophobicContact CD2-CD1 3.55Å; L754-I797 HydrophobicContact CG-CD1 4.47Å; L754-Y987 HydrophobicContact CD1-CD1 4.26Å; L754-Y987 HydrophobicContact CD1-CD2 4.22Å; L754-Y987 HydrophobicContact CD1-CE1 3.8Å; L754-Y987 HydrophobicContact CD1-CE2 3.75Å; L754-Y987 HydrophobicContact CD1-CG 4.46Å; L754-Y987 HydrophobicContact CD2-CD1 3.75Å; L754-Y987 HydrophobicContact CD2-CE1 3.89Å; L754-Y987 HydrophobicContact CD2-CG 4.2Å; L754-Y987 HydrophobicContact CG-CE1 4.49Å
755	L	89.8	Confident	92.4	Very high	12 Å²	12	42.8 Å²	42.8	6%	0.063	21%	0.211	C	C	.	.	H	α-helix	trans	-58.5	-45.9	174.9	-77.3	165.7	0	0	0	111.6	M751 M752 R757 M758 E759 F761 P792 E903 M904	M751-L755 HydrophobicContact CG-CD1 4.44Å; M751-L755 WeakPolarHBondContact O-CB 3.33Å; M751-L755 VanDerWaalsContact O-CG 3.29Å; M751-L755 WeakPolarHBondContact O-CG 3.33Å; M751-L755 PolarHBondContact O-N 3.1Å; M752-L755 PolarHBondContact O-N 2.71Å; L755-R757 VanDerWaalsContact C-N 3.28Å; L755-R757 PolarHBondContact O-N 3.17Å; L755-M758 PolarHBondContact O-N 3.33Å; L755-E759 WeakPolarHBondContact O-CA 3.3Å; L755-E759 PolarHBondContact O-N 2.8Å; L755-F761 HydrophobicContact CD2-CD1 3.99Å; L755-F761 HydrophobicContact CD2-CE1 3.69Å; L755-F761 HydrophobicContact CD2-CE2 4.24Å; L755-F761 HydrophobicContact CD2-CG 4.39Å; L755-F761 HydrophobicContact CD2-CZ 3.81Å; L755-F761 HydrophobicContact CG-CE1 4.11Å; L755-F761 HydrophobicContact CG-CZ 3.97Å; L755-P792 HydrophobicContact CD1-CB 3.78Å; L755-P792 HydrophobicContact CD1-CG 3.63Å; L755-E903 HydrophobicContact CD1-CG 4.3Å; L755-M904 HydrophobicContact CD2-CB 4.42Å; L755-M904 HydrophobicContact CD2-CG 3.96Å
756	I	87	Confident	92.5	Very high	110 Å²	110	42.2 Å²	42.2	56%	0.564	21%	0.209	S	C	*	.	H	α-helix	trans	-59.8	-37.4	176.5	-67.7	165.1	0	0	0	111.6	M752 L754	M752-I756 HydrophobicContact CE-CD1 4.2Å; M752-I756 HydrophobicContact CE-CG1 4.34Å; M752-I756 HydrophobicContact CG-CD1 4Å; M752-I756 VanDerWaalsContact O-CG1 3.3Å; M752-I756 WeakPolarHBondContact O-CG1 3.09Å; M752-I756 PolarHBondContact O-N 2.85Å; L754-I756 PolarHBondContact O-N 3.49Å
757	R	88	Confident	92.7	Very high	121 Å²	121	43.6 Å²	43.6	46%	0.457	21%	0.213	S	C	.	.	H	α-helix	trans	-77	-26.1	179.8	-77.3	-175.9	-68.4	176.2	-1.4	114.4	S753 L754 L755 N999	S753-R757 WeakPolarHBondContact O-CG 3.37Å; S753-R757 PolarHBondContact O-NE 3.38Å; L754-R757 PolarHBondContact O-N 2.95Å; L755-R757 VanDerWaalsContact C-N 3.28Å; L755-R757 PolarHBondContact O-N 3.17Å; R757-N999 PolarHBondContact NH1-OD1 3.49Å; R757-N999 PolarHBondContact NH2-OD1 2.86Å
758	M	90.4	Very high	92.8	Very high	71 Å²	71	44 Å²	44	35%	0.35	22%	0.215	S	C	.	.	H	α-helix	trans	-103.9	-15.8	-177.2	-66.1	-169	66.7	0	0	114.1	L754 L755 V760 F761 L765	L754-M758 HydrophobicContact CD1-CG 4.06Å; L754-M758 HydrophobicContact CD1-SD 3.86Å; L754-M758 HydrophobicContact CG-CG 4.5Å; L754-M758 HydrophobicContact CG-SD 4.12Å; L754-M758 PolarHBondContact O-N 3.14Å; L755-M758 PolarHBondContact O-N 3.33Å; M758-V760 PolarHBondContact O-N 2.89Å; M758-F761 HydrophobicContact CB-CD1 3.92Å; M758-F761 HydrophobicContact CB-CE1 3.93Å; M758-F761 HydrophobicContact CE-CD1 4.36Å; M758-F761 HydrophobicContact CG-CD1 4.44Å; M758-F761 HydrophobicContact CG-CE1 4.19Å; M758-F761 HydrophobicContact SD-CD1 3.88Å; M758-F761 HydrophobicContact SD-CE1 3.74Å; M758-L765 HydrophobicContact CE-CD2 3.68Å; M758-L765 HydrophobicContact SD-CD2 3.74Å
759	E	89.1	Confident	93.1	Very high	156 Å²	156	44 Å²	44	73%	0.729	22%	0.215	S	C	*	.	S	Bend	trans	59.6	-55.3	-168.5	-56.8	-175.6	169.3	0	0	114.4	L755 G907	L755-E759 WeakPolarHBondContact O-CA 3.3Å; L755-E759 PolarHBondContact O-N 2.8Å; E759-G907 VanDerWaalsContact O-CA 3.24Å; E759-G907 WeakPolarHBondContact O-CA 3.24Å
760	V	93.3	Very high	93.4	Very high	68 Å²	68	44 Å²	44	41%	0.412	22%	0.215	S	C	.	.	S	Bend	trans	-137.8	130.2	178.7	-176	0	0	0	0	109.7	M758	M758-V760 PolarHBondContact O-N 2.89Å
761	F	96	Very high	93.6	Very high	5 Å²	5	42.8 Å²	42.8	2%	0.022	21%	0.208	C	C	.	.			trans	-79.9	137.9	177.4	-73.4	8.1	0	0	0	111.5	M751 L754 L755 M758 L765 A766 Y769 M904	M751-F761 HydrophobicContact SD-CE2 3.6Å; M751-F761 HydrophobicContact SD-CZ 3.68Å; L754-F761 HydrophobicContact CB-CZ 4.22Å; L754-F761 HydrophobicContact CD2-CE1 4.37Å; L754-F761 HydrophobicContact CD2-CE2 4.45Å; L754-F761 HydrophobicContact CD2-CZ 3.74Å; L754-F761 HydrophobicContact CG-CE1 3.94Å; L754-F761 HydrophobicContact CG-CZ 3.69Å; L755-F761 HydrophobicContact CD2-CD1 3.99Å; L755-F761 HydrophobicContact CD2-CE1 3.69Å; L755-F761 HydrophobicContact CD2-CE2 4.24Å; L755-F761 HydrophobicContact CD2-CG 4.39Å; L755-F761 HydrophobicContact CD2-CZ 3.81Å; L755-F761 HydrophobicContact CG-CE1 4.11Å; L755-F761 HydrophobicContact CG-CZ 3.97Å; M758-F761 HydrophobicContact CB-CD1 3.92Å; M758-F761 HydrophobicContact CB-CE1 3.93Å; M758-F761 HydrophobicContact CE-CD1 4.36Å; M758-F761 HydrophobicContact CG-CD1 4.44Å; M758-F761 HydrophobicContact CG-CE1 4.19Å; M758-F761 HydrophobicContact SD-CD1 3.88Å; M758-F761 HydrophobicContact SD-CE1 3.74Å; F761-L765 HydrophobicContact CB-CD2 4.22Å; F761-L765 HydrophobicContact CD1-CD2 4.16Å; F761-L765 HydrophobicContact CD2-CD2 3.93Å; F761-L765 HydrophobicContact CD2-CG 4.05Å; F761-L765 HydrophobicContact CE2-CD2 4.32Å; F761-L765 HydrophobicContact CG-CD2 3.85Å; F761-L765 HydrophobicContact CG-CG 4.36Å; F761-A766 HydrophobicContact CB-CB 4.35Å; F761-Y769 HydrophobicContact CD2-CD2 4.43Å; F761-Y769 AromaticContact CE2-CD2 3.91Å; F761-Y769 HydrophobicContact CE2-CD2 3.91Å; F761-Y769 HydrophobicContact CE2-CE2 4.31Å; F761-M904 HydrophobicContact CB-CB 4.27Å; F761-M904 WeakPolarHBondContact CB-O 3.31Å; F761-M904 HydrophobicContact CD2-CB 4.09Å; F761-M904 HydrophobicContact CD2-CE 4.32Å; F761-M904 HydrophobicContact CD2-CG 3.69Å; F761-M904 HydrophobicContact CD2-SD 4.03Å; F761-M904 HydrophobicContact CE2-CE 3.96Å; F761-M904 HydrophobicContact CE2-CG 4Å; F761-M904 HydrophobicContact CE2-SD 4.27Å; F761-M904 HydrophobicContact CG-CB 4.34Å; F761-M904 HydrophobicContact CG-CG 4.34Å; F761-M904 PolarHBondContact N-O 3.21Å
762	P	95.6	Very high	93.7	Very high	56 Å²	56	42.8 Å²	42.8	36%	0.364	21%	0.208	S	C	.	.			trans	-55.5	142.4	162.9	-24.7	34.8	0	0	0	111.4	H764 L765 A766	P762-H764 VanDerWaalsContact CB-CE1 3.43Å; P762-H764 WeakPolarHBondContact CB-CE1 3.16Å; P762-H764 PolarHBondContact O-N 3.4Å; P762-L765 WeakPolarHBondContact O-CB 3.31Å; P762-L765 PolarHBondContact O-N 2.89Å; P762-A766 PolarHBondContact O-N 3.45Å; P762-A766 VanDerWaalsContact O-N 3.09Å
763	E	95.4	Very high	94.1	Very high	50 Å²	50	40.2 Å²	40.2	23%	0.234	20%	0.195	C	C	.	.	H	α-helix	trans	-58.7	-28.6	-173.1	-164.7	-175.8	119.4	0	0	113.7	R767 L905 S939 S942 F970	E763-R767 WeakPolarHBondContact O-CB 3.24Å; E763-R767 PolarHBondContact O-N 2.96Å; E763-R767 IonicContact OE1-CZ 3.28Å; E763-R767 IonicContact OE1-NH2 2.74Å; E763-R767 PolarHBondContact OE1-NH2 3.22Å; E763-L905 HydrophobicContact CB-CD2 4.23Å; E763-L905 HydrophobicContact CG-CD2 4.21Å; E763-S939 WeakPolarHBondContact OE1-CB 3.19Å; E763-S939 PolarHBondContact OE1-OG 3.42Å; E763-S939 VanDerWaalsContact OE2-CB 3.23Å; E763-S939 WeakPolarHBondContact OE2-CB 3.22Å; E763-S939 PolarHBondContact OE2-N 3.14Å; E763-S939 PolarHBondContact OE2-OG 3.41Å; E763-S942 PolarHBondContact OE1-OG 3.42Å; E763-S942 PolarHBondContact OE2-OG 3.11Å; E763-F970 HydrophobicContact CG-CE2 4.02Å
764	H	95.1	Very high	94.5	Very high	116 Å²	116	39.5 Å²	39.5	54%	0.537	19%	0.191	S	C	.	.	H	α-helix	trans	-70.7	-33.7	174.7	66.8	-99	0	0	0	113.4	P762 F768	P762-H764 VanDerWaalsContact CB-CE1 3.43Å; P762-H764 WeakPolarHBondContact CB-CE1 3.16Å; P762-H764 PolarHBondContact O-N 3.4Å; H764-F768 PolarHBondContact O-N 2.71Å; H764-F768 VanDerWaalsContact O-N 3.1Å
765	L	96.5	Very high	94.8	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.037	20%	0.197	C	C	.	.	H	α-helix	trans	-72.6	-45.4	176	-177.3	67.3	0	0	0	110.3	M758 F761 P762 R767 F768 Y769 P986	M758-L765 HydrophobicContact CE-CD2 3.68Å; M758-L765 HydrophobicContact SD-CD2 3.74Å; F761-L765 HydrophobicContact CB-CD2 4.22Å; F761-L765 HydrophobicContact CD1-CD2 4.16Å; F761-L765 HydrophobicContact CD2-CD2 3.93Å; F761-L765 HydrophobicContact CD2-CG 4.05Å; F761-L765 HydrophobicContact CE2-CD2 4.32Å; F761-L765 HydrophobicContact CG-CD2 3.85Å; F761-L765 HydrophobicContact CG-CG 4.36Å; P762-L765 WeakPolarHBondContact O-CB 3.31Å; P762-L765 PolarHBondContact O-N 2.89Å; L765-R767 VanDerWaalsContact C-N 3.34Å; L765-R767 PolarHBondContact O-N 2.7Å; L765-F768 PolarHBondContact O-N 3.19Å; L765-Y769 HydrophobicContact CD1-CD2 4Å; L765-Y769 HydrophobicContact CD1-CE2 3.56Å; L765-Y769 HydrophobicContact CG-CD2 4.07Å; L765-Y769 HydrophobicContact CG-CE2 3.99Å; L765-Y769 PolarHBondContact O-N 3.33Å; L765-P986 HydrophobicContact CD1-CB 3.93Å
766	A	97.3	Very high	95.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.2	-43.6	172.8	0	0	0	0	0	111.6	F761 P762 F768 Y769 I770 L901 M904 L905	F761-A766 HydrophobicContact CB-CB 4.35Å; P762-A766 PolarHBondContact O-N 3.45Å; P762-A766 VanDerWaalsContact O-N 3.09Å; A766-F768 PolarHBondContact O-N 3.23Å; A766-Y769 PolarHBondContact O-N 3.42Å; A766-I770 VanDerWaalsContact O-CB 3.3Å; A766-I770 WeakPolarHBondContact O-CB 3.48Å; A766-I770 WeakPolarHBondContact O-CG1 3.48Å; A766-I770 PolarHBondContact O-N 3.2Å; A766-L901 HydrophobicContact CB-CD1 4.43Å; A766-M904 HydrophobicContact CB-CB 4.04Å; A766-M904 HydrophobicContact CB-SD 4.12Å; A766-L905 HydrophobicContact CB-CD2 3.8Å; A766-L905 HydrophobicContact CB-CG 4.23Å
767	R	97.6	Very high	95.4	Very high	39 Å²	39	35 Å²	35	15%	0.147	17%	0.167	C	C	.	.	H	α-helix	trans	-57.3	-45.3	175	176.6	-176	-69.1	104.2	12.6	112.7	E763 L765 A771 F970 F971 I974	E763-R767 WeakPolarHBondContact O-CB 3.24Å; E763-R767 PolarHBondContact O-N 2.96Å; E763-R767 IonicContact OE1-CZ 3.28Å; E763-R767 IonicContact OE1-NH2 2.74Å; E763-R767 PolarHBondContact OE1-NH2 3.22Å; L765-R767 VanDerWaalsContact C-N 3.34Å; L765-R767 PolarHBondContact O-N 2.7Å; R767-A771 VanDerWaalsContact O-CB 3.29Å; R767-A771 WeakPolarHBondContact O-CB 3.27Å; R767-A771 PolarHBondContact O-N 3.43Å; R767-F970 HydrophobicContact CB-CE1 3.92Å; R767-F970 HydrophobicContact CB-CE2 4.43Å; R767-F970 HydrophobicContact CB-CZ 3.73Å; R767-F970 WeakPolarHBondContact CD-O 3.41Å; R767-F970 HydrophobicContact CG-CE1 4.13Å; R767-F970 HydrophobicContact CG-CZ 4.34Å; R767-F970 PolarHBondContact NE-O 3.26Å; R767-F971 HydrophobicContact CG-CD1 4.43Å; R767-I974 HydrophobicContact CG-CD1 4.2Å; R767-I974 HydrophobicContact CG-CG1 3.95Å
768	F	97.3	Very high	95.8	Very high	11 Å²	11	30.2 Å²	30.2	5%	0.048	15%	0.15	C	C	.	.	H	α-helix	trans	-62.2	-54	177	178.1	-93.2	0	0	0	111.5	H764 L765 A766 I770 A771 E772 H802 I980 A985 P986	H764-F768 PolarHBondContact O-N 2.71Å; H764-F768 VanDerWaalsContact O-N 3.1Å; L765-F768 PolarHBondContact O-N 3.19Å; A766-F768 PolarHBondContact O-N 3.23Å; F768-I770 PolarHBondContact O-N 3.31Å; F768-A771 WeakPolarHBondContact O-CB 3.4Å; F768-A771 PolarHBondContact O-N 3.23Å; F768-A771 VanDerWaalsContact O-N 3.15Å; F768-E772 HydrophobicContact CD1-CG 4.44Å; F768-E772 HydrophobicContact CE1-CG 4.03Å; F768-E772 HydrophobicContact CZ-CG 4.14Å; F768-E772 PolarHBondContact O-N 3.33Å; F768-H802 AromaticContact CZ-CE1 3.72Å; F768-H802 AromaticContact CZ-ND1 3.68Å; F768-I980 HydrophobicContact CD2-CD1 4.1Å; F768-I980 HydrophobicContact CD2-CG1 4.43Å; F768-I980 HydrophobicContact CE2-CD1 4.03Å; F768-I980 HydrophobicContact CE2-CG1 3.91Å; F768-A985 HydrophobicContact CE1-CB 3.91Å; F768-A985 HydrophobicContact CZ-CB 3.9Å; F768-P986 HydrophobicContact CB-CG 3.89Å; F768-P986 VanDerWaalsContact CD1-CD 3.43Å; F768-P986 HydrophobicContact CD1-CG 4.17Å; F768-P986 HydrophobicContact CD2-CG 4Å; F768-P986 VanDerWaalsContact CG-CD 3.43Å; F768-P986 HydrophobicContact CG-CG 3.75Å
769	Y	97.9	Very high	95.9	Very high	2 Å²	2	28 Å²	28	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-68.1	-31.7	-176.7	-74	-43.7	0	0	0	113.9	M751 L754 F761 L765 A766 L773 G801 I803 Y987	M751-Y769 HydrophobicContact CE-CD1 3.9Å; M751-Y769 HydrophobicContact CE-CD2 3.7Å; M751-Y769 HydrophobicContact CE-CE1 4.16Å; M751-Y769 HydrophobicContact CE-CE2 3.95Å; M751-Y769 HydrophobicContact CE-CG 3.68Å; M751-Y769 HydrophobicContact SD-CD2 4.08Å; M751-Y769 HydrophobicContact SD-CE2 4.29Å; L754-Y769 HydrophobicContact CD2-CE2 4.04Å; F761-Y769 HydrophobicContact CD2-CD2 4.43Å; F761-Y769 AromaticContact CE2-CD2 3.91Å; F761-Y769 HydrophobicContact CE2-CD2 3.91Å; F761-Y769 HydrophobicContact CE2-CE2 4.31Å; L765-Y769 HydrophobicContact CD1-CD2 4Å; L765-Y769 HydrophobicContact CD1-CE2 3.56Å; L765-Y769 HydrophobicContact CG-CD2 4.07Å; L765-Y769 HydrophobicContact CG-CE2 3.99Å; L765-Y769 PolarHBondContact O-N 3.33Å; A766-Y769 PolarHBondContact O-N 3.42Å; Y769-L773 WeakPolarHBondContact O-CB 3.5Å; Y769-L773 PolarHBondContact O-N 3.44Å; Y769-G801 WeakPolarHBondContact CE1-O 3.21Å; Y769-G801 PolarHBondContact OH-O 3.05Å; Y769-G801 VanDerWaalsContact OH-O 3.09Å; Y769-I803 HydrophobicContact CD1-CG2 3.47Å; Y769-I803 VanDerWaalsContact CD1-CG2 3.47Å; Y769-I803 HydrophobicContact CE1-CG2 3.75Å; Y769-I803 HydrophobicContact CG-CG2 4.39Å; Y769-Y987 PolarHBondContact OH-O 3.27Å
770	I	98.1	Very high	96	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-74.7	-29.3	174	-63	-66.5	0	0	0	111.5	A766 F768 L773 T774 V897 I900 L901 M904 F971	A766-I770 VanDerWaalsContact O-CB 3.3Å; A766-I770 WeakPolarHBondContact O-CB 3.48Å; A766-I770 WeakPolarHBondContact O-CG1 3.48Å; A766-I770 PolarHBondContact O-N 3.2Å; F768-I770 PolarHBondContact O-N 3.31Å; I770-L773 HydrophobicContact CD1-CD2 4.11Å; I770-T774 WeakPolarHBondContact O-CB 3.23Å; I770-T774 PolarHBondContact O-N 3.48Å; I770-T774 PolarHBondContact O-OG1 2.89Å; I770-V897 HydrophobicContact CD1-CG1 4.11Å; I770-V897 HydrophobicContact CG2-CG1 3.78Å; I770-I900 HydrophobicContact CD1-CG2 4.08Å; I770-L901 HydrophobicContact CD1-CB 4.07Å; I770-L901 HydrophobicContact CG1-CB 4.15Å; I770-L901 HydrophobicContact CG1-CD1 4.06Å; I770-M904 HydrophobicContact CD1-CE 4.35Å; I770-M904 HydrophobicContact CD1-SD 3.92Å; I770-M904 HydrophobicContact CG1-SD 3.88Å; I770-F971 HydrophobicContact CB-CE1 4.44Å; I770-F971 HydrophobicContact CG2-CE1 4.03Å; I770-F971 HydrophobicContact CG2-CZ 3.88Å
771	A	97.4	Very high	95.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-67.1	-46	170.1	0	0	0	0	0	111.8	R767 F768 T774 L775 F971 I974 F976 I980	R767-A771 VanDerWaalsContact O-CB 3.29Å; R767-A771 WeakPolarHBondContact O-CB 3.27Å; R767-A771 PolarHBondContact O-N 3.43Å; F768-A771 WeakPolarHBondContact O-CB 3.4Å; F768-A771 PolarHBondContact O-N 3.23Å; F768-A771 VanDerWaalsContact O-N 3.15Å; A771-T774 WeakPolarHBondContact O-CB 3.21Å; A771-T774 PolarHBondContact O-N 2.79Å; A771-L775 PolarHBondContact O-N 3.27Å; A771-F971 HydrophobicContact CB-CD1 3.97Å; A771-F971 HydrophobicContact CB-CE1 4.04Å; A771-I974 HydrophobicContact CB-CG1 4.31Å; A771-I974 HydrophobicContact CB-CG2 4.04Å; A771-F976 HydrophobicContact CB-CE1 3.78Å; A771-F976 HydrophobicContact CB-CZ 3.83Å; A771-I980 HydrophobicContact CB-CD1 4.2Å
772	E	97.4	Very high	95.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.2	-45.3	172.5	-72.2	-142	126.1	0	0	112	W725 F768 T774 L775 A776 H802 I803 I980	W725-E772 HydrophobicContact CH2-CB 4.33Å; W725-E772 HydrophobicContact CH2-CG 4.26Å; W725-E772 HydrophobicContact CZ3-CB 3.82Å; W725-E772 HydrophobicContact CZ3-CG 4.06Å; F768-E772 HydrophobicContact CD1-CG 4.44Å; F768-E772 HydrophobicContact CE1-CG 4.03Å; F768-E772 HydrophobicContact CZ-CG 4.14Å; F768-E772 PolarHBondContact O-N 3.33Å; E772-T774 PolarHBondContact O-N 2.79Å; E772-L775 PolarHBondContact O-N 3.19Å; E772-L775 VanDerWaalsContact O-N 3.11Å; E772-A776 WeakPolarHBondContact O-CB 3.04Å; E772-A776 PolarHBondContact O-N 2.85Å; E772-H802 IonicContact OE1-CE1 2.85Å; E772-H802 IonicContact OE1-CG 3.31Å; E772-H802 IonicContact OE1-ND1 3.46Å; E772-H802 PolarHBondContact OE1-ND1 3.33Å; E772-H802 WeakPolarHBondContact OE2-CA 3.28Å; E772-H802 IonicContact OE2-ND1 2.84Å; E772-I803 HydrophobicContact CB-CD1 3.7Å; E772-I803 HydrophobicContact CB-CG1 3.88Å; E772-I803 PolarHBondContact OE2-N 2.83Å; E772-I980 HydrophobicContact CG-CD1 4.34Å; E772-I980 HydrophobicContact CG-CG2 4.2Å
773	L	97.7	Very high	95.2	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-62.5	-33.8	178.7	-174.7	59.7	0	0	0	111.8	Y769 I770 A776 I777 I795 I803 L805 V897 I900	Y769-L773 WeakPolarHBondContact O-CB 3.5Å; Y769-L773 PolarHBondContact O-N 3.44Å; I770-L773 HydrophobicContact CD1-CD2 4.11Å; L773-A776 PolarHBondContact O-N 3.15Å; L773-I777 HydrophobicContact CD1-CD1 3.8Å; L773-I777 HydrophobicContact CD1-CG1 4.07Å; L773-I777 HydrophobicContact CG-CD1 3.79Å; L773-I777 HydrophobicContact CG-CG1 4.43Å; L773-I777 WeakPolarHBondContact O-CB 3.4Å; L773-I777 WeakPolarHBondContact O-CG1 3.35Å; L773-I777 PolarHBondContact O-N 3.43Å; L773-I795 HydrophobicContact CD1-CD1 3.85Å; L773-I795 HydrophobicContact CD1-CG1 4.26Å; L773-I795 HydrophobicContact CD2-CD1 3.91Å; L773-I803 HydrophobicContact CB-CD1 3.93Å; L773-I803 HydrophobicContact CD1-CD1 4.28Å; L773-L805 HydrophobicContact CD1-CD2 3.91Å; L773-V897 HydrophobicContact CD2-CG1 4.38Å; L773-V897 HydrophobicContact CD2-CG2 3.93Å; L773-V897 HydrophobicContact CG-CG2 4.11Å; L773-I900 HydrophobicContact CD2-CD1 4.2Å
774	T	96.9	Very high	94.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63	-44.8	173.2	-60.6	0	0	0	0	111.6	I770 A771 E772 E778 W894 A962 L965 K966	I770-T774 WeakPolarHBondContact O-CB 3.23Å; I770-T774 PolarHBondContact O-N 3.48Å; I770-T774 PolarHBondContact O-OG1 2.89Å; A771-T774 WeakPolarHBondContact O-CB 3.21Å; A771-T774 PolarHBondContact O-N 2.79Å; E772-T774 PolarHBondContact O-N 2.79Å; T774-E778 WeakPolarHBondContact O-CB 3.24Å; T774-E778 PolarHBondContact O-N 3.4Å; T774-W894 HydrophobicContact CG2-CH2 4.2Å; T774-W894 HydrophobicContact CG2-CZ3 4.27Å; T774-A962 HydrophobicContact CG2-CB 4.28Å; T774-L965 HydrophobicContact CG2-CB 4.01Å; T774-L965 HydrophobicContact CG2-CD2 4.17Å; T774-K966 HydrophobicContact CG2-CG 4.31Å
775	L	95.9	Very high	94.3	Very high	27 Å²	27	19.9 Å²	19.9	14%	0.141	11%	0.105	C	C	.	.	H	α-helix	trans	-69	-37.7	176.1	-65.2	174.4	0	0	0	112.4	W725 A771 E772 E778 S779 F976 I980	W725-L775 HydrophobicContact CD2-CB 4.47Å; W725-L775 HydrophobicContact CH2-CB 4.08Å; W725-L775 HydrophobicContact CH2-CD1 4.02Å; W725-L775 HydrophobicContact CZ2-CB 3.67Å; W725-L775 HydrophobicContact CZ2-CD1 3.77Å; W725-L775 HydrophobicContact CZ2-CG 4.39Å; A771-L775 PolarHBondContact O-N 3.27Å; E772-L775 PolarHBondContact O-N 3.19Å; E772-L775 VanDerWaalsContact O-N 3.11Å; L775-E778 PolarHBondContact O-N 3.29Å; L775-S779 WeakPolarHBondContact O-CB 3.22Å; L775-S779 PolarHBondContact O-N 2.93Å; L775-F976 HydrophobicContact CD1-CD1 4.27Å; L775-F976 HydrophobicContact CD2-CD1 4.16Å; L775-F976 HydrophobicContact CG-CD1 4.26Å; L775-F976 HydrophobicContact CG-CE1 4.45Å; L775-I980 HydrophobicContact CD1-CG2 3.68Å
776	A	96	Very high	94	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.4	-49.9	178.2	0	0	0	0	0	112.1	W725 E772 L773 S779 V780 L805	W725-A776 HydrophobicContact CB-CB 3.82Å; W725-A776 HydrophobicContact CD2-CB 4.12Å; W725-A776 HydrophobicContact CE3-CB 3.89Å; W725-A776 HydrophobicContact CG-CB 4.11Å; E772-A776 WeakPolarHBondContact O-CB 3.04Å; E772-A776 PolarHBondContact O-N 2.85Å; L773-A776 PolarHBondContact O-N 3.15Å; A776-S779 WeakPolarHBondContact O-CB 3.3Å; A776-S779 PolarHBondContact O-N 3Å; A776-V780 WeakPolarHBondContact O-CG2 3.39Å; A776-V780 PolarHBondContact O-N 3.15Å; A776-V780 VanDerWaalsContact O-N 3.11Å; A776-L805 HydrophobicContact CB-CD1 3.79Å; A776-L805 HydrophobicContact CB-CG 4.05Å
777	I	95.3	Very high	93.7	Very high	1 Å²	1	20 Å²	20	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-65.5	-40.4	177.1	-68.7	170.7	0	0	0	110.6	L773 S779 V780 H781 I790 L805 D893 W894 V897	L773-I777 HydrophobicContact CD1-CD1 3.8Å; L773-I777 HydrophobicContact CD1-CG1 4.07Å; L773-I777 HydrophobicContact CG-CD1 3.79Å; L773-I777 HydrophobicContact CG-CG1 4.43Å; L773-I777 WeakPolarHBondContact O-CB 3.4Å; L773-I777 WeakPolarHBondContact O-CG1 3.35Å; L773-I777 PolarHBondContact O-N 3.43Å; I777-S779 VanDerWaalsContact C-N 3.26Å; I777-S779 PolarHBondContact O-N 3.13Å; I777-V780 PolarHBondContact O-N 3.22Å; I777-V780 VanDerWaalsContact O-N 3.17Å; I777-H781 WeakPolarHBondContact CG2-CE1 3.35Å; I777-H781 WeakPolarHBondContact CG2-NE2 3.46Å; I777-H781 PolarHBondContact O-CD2 2.87Å; I777-H781 PolarHBondContact O-N 2.81Å; I777-I790 HydrophobicContact CD1-CD1 3.9Å; I777-I790 HydrophobicContact CD1-CG1 3.99Å; I777-I790 HydrophobicContact CD1-CG2 4.18Å; I777-I790 HydrophobicContact CG1-CD1 3.87Å; I777-I790 HydrophobicContact CG1-CG1 4.37Å; I777-L805 HydrophobicContact CG1-CD1 4.4Å; I777-D893 HydrophobicContact CG2-CB 4Å; I777-W894 HydrophobicContact CB-CH2 3.87Å; I777-W894 HydrophobicContact CB-CZ3 3.81Å; I777-W894 HydrophobicContact CD1-CZ3 4.23Å; I777-W894 HydrophobicContact CG2-CE3 4.13Å; I777-W894 HydrophobicContact CG2-CH2 3.57Å; I777-W894 HydrophobicContact CG2-CZ2 4.04Å; I777-W894 HydrophobicContact CG2-CZ3 3.62Å; I777-V897 HydrophobicContact CD1-CG2 3.3Å
778	E	94.4	Very high	93.4	Very high	21 Å²	21	19 Å²	19	10%	0.098	10%	0.102	C	C	.	.	H	α-helix	trans	-57.8	-39.9	172.9	-172.1	-171.5	-154.7	0	0	111.9	T774 L775 H781 K782 A962 K966	T774-E778 WeakPolarHBondContact O-CB 3.24Å; T774-E778 PolarHBondContact O-N 3.4Å; L775-E778 PolarHBondContact O-N 3.29Å; E778-H781 PolarHBondContact O-N 2.81Å; E778-K782 VanDerWaalsContact CD-CE 3.43Å; E778-K782 HydrophobicContact CG-CD 3.99Å; E778-K782 HydrophobicContact CG-CG 4.41Å; E778-K782 WeakPolarHBondContact O-CB 3.45Å; E778-K782 VanDerWaalsContact O-CG 3.28Å; E778-K782 WeakPolarHBondContact O-CG 3.48Å; E778-K782 PolarHBondContact O-N 2.92Å; E778-K782 WeakPolarHBondContact OE1-CE 3.5Å; E778-K782 IonicContact OE1-NZ 3.45Å; E778-K782 PolarHBondContact OE1-NZ 3.11Å; E778-K782 IonicContact OE2-NZ 2.72Å; E778-K782 PolarHBondContact OE2-NZ 2.79Å; E778-K782 VanDerWaalsContact OE2-NZ 3.1Å; E778-A962 HydrophobicContact CB-CB 3.71Å; E778-A962 HydrophobicContact CG-CB 3.59Å; E778-K966 IonicContact OE1-NZ 2.76Å; E778-K966 PolarHBondContact OE1-NZ 2.66Å; E778-K966 IonicContact OE2-NZ 2.81Å; E778-K966 PolarHBondContact OE2-NZ 3.3Å
779	S	93.1	Very high	93.1	Very high	25 Å²	25	18.7 Å²	18.7	18%	0.175	10%	0.101	C	C	.	.	H	α-helix	trans	-62.9	-44.3	176.1	-155.2	0	0	0	0	111.9	N723 L775 A776 I777 K782 M783	N723-S779 PolarHBondContact ND2-OG 2.85Å; L775-S779 WeakPolarHBondContact O-CB 3.22Å; L775-S779 PolarHBondContact O-N 2.93Å; A776-S779 WeakPolarHBondContact O-CB 3.3Å; A776-S779 PolarHBondContact O-N 3Å; I777-S779 VanDerWaalsContact C-N 3.26Å; I777-S779 PolarHBondContact O-N 3.13Å; S779-K782 PolarHBondContact O-N 3.12Å; S779-M783 WeakPolarHBondContact O-CG 3.32Å; S779-M783 PolarHBondContact O-N 3.46Å; S779-M783 VanDerWaalsContact O-N 3.14Å
780	V	91.9	Very high	93	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	10%	0.1	C	C	.	.	H	α-helix	trans	-62.6	-43.9	175.8	176.6	0	0	0	0	111.3	V726 A776 I777 M783 F785 L805 F808	V726-V780 HydrophobicContact CG2-CG2 4.13Å; A776-V780 WeakPolarHBondContact O-CG2 3.39Å; A776-V780 PolarHBondContact O-N 3.15Å; A776-V780 VanDerWaalsContact O-N 3.11Å; I777-V780 PolarHBondContact O-N 3.22Å; I777-V780 VanDerWaalsContact O-N 3.17Å; V780-M783 HydrophobicContact CG2-CE 4.41Å; V780-M783 PolarHBondContact O-N 3.22Å; V780-F785 CarbonylContact C-O 3.53Å; V780-F785 HydrophobicContact CG1-CB 3.88Å; V780-F785 PolarHBondContact O-N 3.15Å; V780-F785 VanDerWaalsContact O-N 3.16Å; V780-L805 HydrophobicContact CG2-CD1 3.98Å; V780-F808 HydrophobicContact CG2-CE1 3.97Å
781	H	91.1	Very high	92.8	Very high	19 Å²	19	19.9 Å²	19.9	9%	0.088	11%	0.106	C	C	.	.	H	α-helix	trans	-65.5	-40.3	176.9	-68.6	-176.1	0	0	0	112.3	I777 E778 M783 G784 F785 Q890 D893 W894	I777-H781 WeakPolarHBondContact CG2-CE1 3.35Å; I777-H781 WeakPolarHBondContact CG2-NE2 3.46Å; I777-H781 PolarHBondContact O-CD2 2.87Å; I777-H781 PolarHBondContact O-N 2.81Å; E778-H781 PolarHBondContact O-N 2.81Å; H781-M783 VanDerWaalsContact C-N 3.25Å; H781-M783 PolarHBondContact O-N 3Å; H781-G784 WeakPolarHBondContact O-CA 3.36Å; H781-G784 PolarHBondContact O-N 3.43Å; H781-F785 WeakPolarHBondContact CA-O 3.4Å; H781-F785 PolarHBondContact CD2-O 3.03Å; H781-Q890 PolarHBondContact CE1-O 3.2Å; H781-Q890 VanDerWaalsContact CE1-O 3.27Å; H781-Q890 PolarHBondContact ND1-NE2 3.09Å; H781-D893 IonicContact CD2-OD2 3.24Å; H781-D893 IonicContact CE1-OD2 3.69Å; H781-D893 IonicContact NE2-OD2 3.92Å; H781-D893 PolarHBondContact NE2-OD2 2.74Å; H781-W894 AromaticContact ND1-CZ2 4Å
782	K	90	Very high	92.6	Very high	150 Å²	150	19.9 Å²	19.9	65%	0.652	11%	0.106	S	C	*	.	H	α-helix	trans	-64	-27.6	175.2	-78.7	171.8	-179.9	167.1	0	113	E778 S779 G784	E778-K782 VanDerWaalsContact CD-CE 3.43Å; E778-K782 HydrophobicContact CG-CD 3.99Å; E778-K782 HydrophobicContact CG-CG 4.41Å; E778-K782 WeakPolarHBondContact O-CB 3.45Å; E778-K782 VanDerWaalsContact O-CG 3.28Å; E778-K782 WeakPolarHBondContact O-CG 3.48Å; E778-K782 PolarHBondContact O-N 2.92Å; E778-K782 WeakPolarHBondContact OE1-CE 3.5Å; E778-K782 IonicContact OE1-NZ 3.45Å; E778-K782 PolarHBondContact OE1-NZ 3.11Å; E778-K782 IonicContact OE2-NZ 2.72Å; E778-K782 PolarHBondContact OE2-NZ 2.79Å; E778-K782 VanDerWaalsContact OE2-NZ 3.1Å; S779-K782 PolarHBondContact O-N 3.12Å; K782-G784 PolarHBondContact O-N 3.32Å
783	M	86.1	Confident	92.2	Very high	55 Å²	55	23.3 Å²	23.3	27%	0.271	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-2.5	170.5	-67.1	-174.8	-65.9	0	0	113.5	A721 N723 V726 S779 V780 H781 F785	A721-M783 HydrophobicContact CB-CE 4.09Å; A721-M783 HydrophobicContact CB-SD 4.07Å; N723-M783 WeakPolarHBondContact ND2-CE 3.09Å; V726-M783 HydrophobicContact CG2-CE 4.34Å; S779-M783 WeakPolarHBondContact O-CG 3.32Å; S779-M783 PolarHBondContact O-N 3.46Å; S779-M783 VanDerWaalsContact O-N 3.14Å; V780-M783 HydrophobicContact CG2-CE 4.41Å; V780-M783 PolarHBondContact O-N 3.22Å; H781-M783 VanDerWaalsContact C-N 3.25Å; H781-M783 PolarHBondContact O-N 3Å; M783-F785 HydrophobicContact CB-CD2 3.67Å; M783-F785 HydrophobicContact CB-CE2 3.97Å
784	G	85.4	Confident	92	Very high	45 Å²	45	23.6 Å²	23.6	46%	0.464	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	85	17.6	179.3	0	0	0	0	0	114.5	H781 K782 G813	H781-G784 WeakPolarHBondContact O-CA 3.36Å; H781-G784 PolarHBondContact O-N 3.43Å; K782-G784 PolarHBondContact O-N 3.32Å; G784-G813 WeakPolarHBondContact O-CA 3.46Å
785	F	87.4	Confident	92	Very high	10 Å²	10	23.7 Å²	23.7	4%	0.044	13%	0.126	C	C	.	.			trans	-110.6	150.1	179.4	-58.1	-70.5	0	0	0	112	I717 V780 H781 M783 T812 H818	I717-F785 HydrophobicContact CD1-CB 4.2Å; I717-F785 HydrophobicContact CD1-CD1 3.69Å; I717-F785 HydrophobicContact CD1-CD2 4.47Å; I717-F785 HydrophobicContact CD1-CE1 4.19Å; I717-F785 HydrophobicContact CD1-CG 3.87Å; I717-F785 HydrophobicContact CG1-CB 4.46Å; I717-F785 HydrophobicContact CG1-CD1 3.51Å; I717-F785 HydrophobicContact CG1-CD2 3.83Å; I717-F785 HydrophobicContact CG1-CE1 3.56Å; I717-F785 HydrophobicContact CG1-CE2 3.86Å; I717-F785 HydrophobicContact CG1-CG 3.66Å; I717-F785 HydrophobicContact CG1-CZ 3.73Å; I717-F785 HydrophobicContact CG2-CD2 4.28Å; V780-F785 CarbonylContact C-O 3.53Å; V780-F785 HydrophobicContact CG1-CB 3.88Å; V780-F785 PolarHBondContact O-N 3.15Å; V780-F785 VanDerWaalsContact O-N 3.16Å; H781-F785 WeakPolarHBondContact CA-O 3.4Å; H781-F785 PolarHBondContact CD2-O 3.03Å; M783-F785 HydrophobicContact CB-CD2 3.67Å; M783-F785 HydrophobicContact CB-CE2 3.97Å; F785-T812 CarbonylContact C-O 3.56Å; F785-T812 VanDerWaalsContact CA-O 3.29Å; F785-T812 WeakPolarHBondContact CA-O 3.46Å; F785-H818 AromaticContact CE1-CE1 3.89Å
786	I	89.6	Confident	92.1	Very high	7 Å²	7	23.8 Å²	23.8	4%	0.036	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-113.5	136	169.1	-51.6	171.9	0	0	0	107.2	R788 C811 T812 F814 Q890 D893	I786-R788 HydrophobicContact CB-CG 4.19Å; I786-R788 HydrophobicContact CG2-CG 3.64Å; I786-C811 VanDerWaalsContact O-CA 3.25Å; I786-C811 WeakPolarHBondContact O-CA 3.22Å; I786-C811 WeakPolarHBondContact O-CB 3.36Å; I786-T812 HydrophobicContact CB-CG2 4.02Å; I786-T812 HydrophobicContact CD1-CG2 4.23Å; I786-T812 HydrophobicContact CG1-CG2 4.42Å; I786-T812 PolarHBondContact N-O 3.13Å; I786-T812 PolarHBondContact O-N 3.35Å; I786-F814 HydrophobicContact CD1-CE2 3.72Å; I786-F814 HydrophobicContact CD1-CZ 3.63Å; I786-F814 HydrophobicContact CG1-CE2 4.39Å; I786-Q890 HydrophobicContact CD1-CB 4.29Å; I786-Q890 HydrophobicContact CG1-CB 3.9Å; I786-D893 WeakPolarHBondContact CG2-OD2 3.37Å
787	H	91.9	Very high	92.1	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.009	13%	0.127	C	C	.	.			trans	-79.7	-48.9	-172	-161.9	-89.6	0	0	0	112.9	D789 I790 T806 F808 C811 D893	H787-D789 PolarHBondContact CE1-O 3.4Å; H787-D789 VanDerWaalsContact ND1-C 3.35Å; H787-D789 PolarHBondContact ND1-O 2.87Å; H787-D789 PolarHBondContact O-N 2.81Å; H787-I790 HydrophobicContact CB-CD1 3.82Å; H787-I790 HydrophobicContact CB-CG1 3.77Å; H787-I790 VanDerWaalsContact CG-CD1 3.47Å; H787-I790 WeakPolarHBondContact ND1-CD1 3.39Å; H787-I790 PolarHBondContact ND1-N 3Å; H787-T806 PolarHBondContact NE2-O 3.4Å; H787-F808 AromaticContact CD2-CD1 3.74Å; H787-F808 AromaticContact CD2-CE1 3.62Å; H787-F808 AromaticContact NE2-CD1 3.87Å; H787-F808 AromaticContact NE2-CE1 3.81Å; H787-C811 VanDerWaalsContact CA-SG 3.57Å; H787-C811 WeakPolarHBondContact O-CA 3.4Å; H787-C811 PolarHBondContact O-SG 2.87Å; H787-D893 PolarHBondContact N-OD1 2.73Å; H787-D893 PolarHBondContact N-OD2 3.15Å
788	R	90.8	Very high	92	Very high	18 Å²	18	24.5 Å²	24.5	7%	0.068	13%	0.131	C	C	.	.	S	Bend	trans	66.3	-7.1	175.2	-46.1	-170.2	-68.4	179	-2.9	117.4	I786 L810 C811 V872 G873 Y888 D893	I786-R788 HydrophobicContact CB-CG 4.19Å; I786-R788 HydrophobicContact CG2-CG 3.64Å; R788-L810 PolarHBondContact NE-O 2.72Å; R788-L810 PolarHBondContact NH2-O 3.05Å; R788-C811 PolarHBondContact NH2-O 3.22Å; R788-C811 VanDerWaalsContact NH2-O 3.15Å; R788-V872 HydrophobicContact CB-CG2 3.95Å; R788-G873 WeakPolarHBondContact O-CA 3.17Å; R788-Y888 VanDerWaalsContact CD-CE2 3.48Å; R788-Y888 VanDerWaalsContact CD-OH 3.25Å; R788-Y888 WeakPolarHBondContact CD-OH 3.4Å; R788-Y888 HydrophobicContact CG-CE2 4.1Å; R788-Y888 PolarHBondContact NH1-OH 2.89Å; R788-D893 PolarHBondContact N-OD1 2.81Å
789	D	91.1	Very high	91.9	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.032	14%	0.136	C	C	.	.			trans	-138.1	54.7	169.6	-161.9	45.6	0	0	0	110.2	H787 K791 N794 L810 G873 T874	H787-D789 PolarHBondContact CE1-O 3.4Å; H787-D789 VanDerWaalsContact ND1-C 3.35Å; H787-D789 PolarHBondContact ND1-O 2.87Å; H787-D789 PolarHBondContact O-N 2.81Å; D789-K791 IonicContact OD1-NZ 2.7Å; D789-K791 WeakPolarHBondContact OD2-CE 3.42Å; D789-K791 IonicContact OD2-NZ 3.99Å; D789-K791 PolarHBondContact OD2-NZ 3.27Å; D789-N794 PolarHBondContact O-ND2 3.24Å; D789-N794 PolarHBondContact OD2-ND2 3.43Å; D789-L810 HydrophobicContact CB-CB 4.13Å; D789-L810 HydrophobicContact CB-CD1 3.81Å; D789-G873 WeakPolarHBondContact OD1-CA 3.37Å; D789-T874 VanDerWaalsContact OD1-CB 3.3Å; D789-T874 WeakPolarHBondContact OD1-CB 3.41Å; D789-T874 PolarHBondContact OD1-N 2.87Å; D789-T874 PolarHBondContact OD1-OG1 3.41Å
790	I	95.6	Very high	91.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.			trans	-74.6	122.7	169	-68.8	-68.5	0	0	0	107.8	I777 H787 L805 Y877 D893 S896 I900	I777-I790 HydrophobicContact CD1-CD1 3.9Å; I777-I790 HydrophobicContact CD1-CG1 3.99Å; I777-I790 HydrophobicContact CD1-CG2 4.18Å; I777-I790 HydrophobicContact CG1-CD1 3.87Å; I777-I790 HydrophobicContact CG1-CG1 4.37Å; H787-I790 HydrophobicContact CB-CD1 3.82Å; H787-I790 HydrophobicContact CB-CG1 3.77Å; H787-I790 VanDerWaalsContact CG-CD1 3.47Å; H787-I790 WeakPolarHBondContact ND1-CD1 3.39Å; H787-I790 PolarHBondContact ND1-N 3Å; I790-L805 HydrophobicContact CD1-CD1 4.36Å; I790-L805 HydrophobicContact CD1-CD2 4.07Å; I790-Y877 WeakPolarHBondContact O-CB 3.36Å; I790-D893 HydrophobicContact CG1-CB 4.26Å; I790-S896 WeakPolarHBondContact O-CB 3.33Å; I790-I900 HydrophobicContact CG2-CD1 3.62Å
791	K	93.5	Very high	92.1	Very high	27 Å²	27	28.9 Å²	28.9	12%	0.117	15%	0.152	C	C	.	.	S	Bend	trans	-165	162.8	-176.8	64.4	-173.2	-164.5	-150.1	0	109.3	D789 D793 N794 I795 T874 Y877	D789-K791 IonicContact OD1-NZ 2.7Å; D789-K791 WeakPolarHBondContact OD2-CE 3.42Å; D789-K791 IonicContact OD2-NZ 3.99Å; D789-K791 PolarHBondContact OD2-NZ 3.27Å; K791-D793 VanDerWaalsContact C-N 3.32Å; K791-D793 HydrophobicContact CD-CB 4.47Å; K791-D793 WeakPolarHBondContact CD-OD2 3.47Å; K791-D793 WeakPolarHBondContact CE-OD2 3.47Å; K791-D793 HydrophobicContact CG-CB 4.37Å; K791-D793 WeakPolarHBondContact CG-OD2 3.38Å; K791-D793 PolarHBondContact O-N 3.46Å; K791-N794 WeakPolarHBondContact CE-ND2 3.29Å; K791-N794 WeakPolarHBondContact CE-OD1 3.34Å; K791-N794 HydrophobicContact CG-CB 4.06Å; K791-N794 PolarHBondContact O-N 3.46Å; K791-N794 VanDerWaalsContact O-N 3.12Å; K791-I795 WeakPolarHBondContact O-CG1 3.2Å; K791-T874 HydrophobicContact CD-CG2 4.34Å; K791-T874 WeakPolarHBondContact CD-OG1 3.36Å; K791-T874 PolarHBondContact NZ-OG1 2.94Å; K791-Y877 HydrophobicContact CB-CD1 4.4Å; K791-Y877 HydrophobicContact CB-CD2 3.49Å; K791-Y877 VanDerWaalsContact CB-CD2 3.49Å; K791-Y877 HydrophobicContact CB-CE2 3.64Å; K791-Y877 HydrophobicContact CB-CG 3.9Å
792	P	93.7	Very high	92.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-57.5	-38.4	-177.8	-25.5	35.7	0	0	0	114.4	M751 M752 L755 N794 I795 Y877 I900 E903	M751-P792 HydrophobicContact CB-CB 4.03Å; M751-P792 WeakPolarHBondContact CB-O 3.17Å; M751-P792 HydrophobicContact CG-CB 4.27Å; M751-P792 PolarHBondContact N-O 3.29Å; M752-P792 HydrophobicContact CB-CB 3.9Å; M752-P792 HydrophobicContact SD-CB 4.09Å; M752-P792 HydrophobicContact SD-CG 4.32Å; L755-P792 HydrophobicContact CD1-CB 3.78Å; L755-P792 HydrophobicContact CD1-CG 3.63Å; P792-N794 PolarHBondContact O-N 3.29Å; P792-N794 VanDerWaalsContact O-N 3.13Å; P792-I795 PolarHBondContact O-N 2.95Å; P792-Y877 VanDerWaalsContact CD-CZ 3.43Å; P792-Y877 WeakPolarHBondContact CD-OH 3.29Å; P792-Y877 HydrophobicContact CG-CE1 4.3Å; P792-I900 HydrophobicContact CG-CG1 4.41Å; P792-E903 VanDerWaalsContact CG-OE2 3.32Å; P792-E903 WeakPolarHBondContact CG-OE2 3.47Å
793	D	89.2	Confident	92.7	Very high	72 Å²	72	21.2 Å²	21.2	39%	0.385	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-61	-26.2	179.9	-22.4	-133.8	0	0	0	112.8	K791	K791-D793 VanDerWaalsContact C-N 3.32Å; K791-D793 HydrophobicContact CD-CB 4.47Å; K791-D793 WeakPolarHBondContact CD-OD2 3.47Å; K791-D793 WeakPolarHBondContact CE-OD2 3.47Å; K791-D793 HydrophobicContact CG-CB 4.37Å; K791-D793 WeakPolarHBondContact CG-OD2 3.38Å; K791-D793 PolarHBondContact O-N 3.46Å
794	N	94.3	Very high	93.1	Very high	9 Å²	9	19.8 Å²	19.8	5%	0.048	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-95.9	7.3	-177.8	-70.4	-10	0	0	0	112.8	D789 K791 P792 T806	D789-N794 PolarHBondContact O-ND2 3.24Å; D789-N794 PolarHBondContact OD2-ND2 3.43Å; K791-N794 WeakPolarHBondContact CE-ND2 3.29Å; K791-N794 WeakPolarHBondContact CE-OD1 3.34Å; K791-N794 HydrophobicContact CG-CB 4.06Å; K791-N794 PolarHBondContact O-N 3.46Å; K791-N794 VanDerWaalsContact O-N 3.12Å; P792-N794 PolarHBondContact O-N 3.29Å; P792-N794 VanDerWaalsContact O-N 3.13Å; N794-T806 PolarHBondContact O-N 2.93Å
795	I	96.9	Very high	93.7	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	100.3	178.1	-60	168.5	0	0	0	107.6	D750 M751 L773 K791 P792 I803 L805 I900	D750-I795 CarbonylContact C-O 3.41Å; D750-I795 WeakPolarHBondContact CA-O 3.3Å; M751-I795 HydrophobicContact CB-CB 3.92Å; M751-I795 HydrophobicContact CB-CG2 4.08Å; M751-I795 HydrophobicContact CE-CG2 3.98Å; M751-I795 PolarHBondContact N-O 3.43Å; L773-I795 HydrophobicContact CD1-CD1 3.85Å; L773-I795 HydrophobicContact CD1-CG1 4.26Å; L773-I795 HydrophobicContact CD2-CD1 3.91Å; K791-I795 WeakPolarHBondContact O-CG1 3.2Å; P792-I795 PolarHBondContact O-N 2.95Å; I795-I803 HydrophobicContact CG2-CB 3.77Å; I795-I803 HydrophobicContact CG2-CD1 4.19Å; I795-I803 HydrophobicContact CG2-CG2 3.81Å; I795-L805 HydrophobicContact CG1-CD2 3.95Å; I795-I900 HydrophobicContact CD1-CD1 3.96Å
796	L	96.6	Very high	93.9	Very high	30 Å²	30	18.3 Å²	18.3	16%	0.157	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	156.6	177.5	-52.7	-174.6	0	0	0	111.2	V727 I746 G749 D750 I803 K804 T806	V727-L796 HydrophobicContact CG2-CD1 4Å; I746-L796 HydrophobicContact CB-CB 4.24Å; I746-L796 HydrophobicContact CB-CD1 4.02Å; I746-L796 HydrophobicContact CG1-CD1 4.08Å; I746-L796 HydrophobicContact CG2-CB 3.64Å; I746-L796 HydrophobicContact CG2-CD1 4.36Å; G749-L796 CarbonylContact O-C 3.6Å; G749-L796 WeakPolarHBondContact O-CA 3.37Å; D750-L796 HydrophobicContact CB-CD2 3.77Å; L796-I803 CarbonylContact O-C 3.57Å; L796-I803 WeakPolarHBondContact O-CA 3.19Å; L796-K804 PolarHBondContact N-O 3.05Å; L796-K804 PolarHBondContact O-N 2.87Å; L796-T806 HydrophobicContact CD1-CG2 3.99Å; L796-T806 HydrophobicContact CD2-CG2 3.95Å; L796-T806 HydrophobicContact CG-CG2 3.73Å
797	I	95.8	Very high	93.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.1	179.6	-55.3	179.6	0	0	0	109.6	I746 G748 G749 M751 L754 P989	I746-I797 VanDerWaalsContact CG2-C 3.49Å; I746-I797 WeakPolarHBondContact CG2-O 3.12Å; G748-I797 WeakPolarHBondContact CA-O 3.38Å; G748-I797 PolarHBondContact N-O 3.32Å; G748-I797 VanDerWaalsContact N-O 3.1Å; G749-I797 PolarHBondContact O-N 2.87Å; M751-I797 HydrophobicContact CE-CD1 3.94Å; M751-I797 HydrophobicContact CE-CG1 4.18Å; M751-I797 HydrophobicContact SD-CD1 4.27Å; L754-I797 HydrophobicContact CB-CD1 4.16Å; L754-I797 HydrophobicContact CD2-CD1 3.55Å; L754-I797 HydrophobicContact CG-CD1 4.47Å; I797-P989 HydrophobicContact CG2-CG 4.3Å
798	D	94.1	Very high	93.3	Very high	15 Å²	15	20.3 Å²	20.3	8%	0.08	11%	0.105	C	C	.	.			trans	-82.2	175.9	179.8	73.1	24.4	0	0	0	113.9	I746 D800 G801 H802 K804 R981 P989	I746-D798 HydrophobicContact CG2-CB 4.35Å; D798-D800 PolarHBondContact O-N 2.98Å; D798-D800 PolarHBondContact OD1-N 2.75Å; D798-G801 PolarHBondContact O-N 2.73Å; D798-G801 PolarHBondContact OD1-N 2.73Å; D798-H802 PolarHBondContact N-O 3.44Å; D798-H802 PolarHBondContact OD1-N 2.97Å; D798-K804 WeakPolarHBondContact OD2-CE 3.15Å; D798-K804 IonicContact OD2-NZ 2.87Å; D798-K804 PolarHBondContact OD2-NZ 3.43Å; D798-R981 IonicContact OD2-CZ 2.74Å; D798-R981 IonicContact OD2-NH2 3.95Å; D798-R981 PolarHBondContact OD2-NH2 3.02Å; D798-P989 WeakPolarHBondContact O-CG 3.2Å
799	L	92.5	Very high	92.6	Very high	42 Å²	42	19.8 Å²	19.8	22%	0.22	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.1	-171.3	71	97.8	0	0	0	113.9	P747 I991	P747-L799 HydrophobicContact CG-CB 4.13Å; L799-I991 HydrophobicContact CB-CD1 3.93Å
800	D	93.5	Very high	92	Very high	97 Å²	97	21.3 Å²	21.3	52%	0.519	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	0.2	176.9	-62	-64.9	0	0	0	111.5	D798 H802 A985	D798-D800 PolarHBondContact O-N 2.98Å; D798-D800 PolarHBondContact OD1-N 2.75Å; D800-H802 PolarHBondContact O-CD2 2.94Å; D800-A985 WeakPolarHBondContact O-CB 3.24Å
801	G	94.8	Very high	91.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	92.8	5	177.4	0	0	0	0	0	115.8	Y769 D798 Y987	Y769-G801 WeakPolarHBondContact CE1-O 3.21Å; Y769-G801 PolarHBondContact OH-O 3.05Å; Y769-G801 VanDerWaalsContact OH-O 3.09Å; D798-G801 PolarHBondContact O-N 2.73Å; D798-G801 PolarHBondContact OD1-N 2.73Å; G801-Y987 VanDerWaalsContact CA-O 3.31Å; G801-Y987 WeakPolarHBondContact CA-O 3.33Å
802	H	96.6	Very high	90.5	Very high	8 Å²	8	20.7 Å²	20.7	4%	0.037	11%	0.112	C	C	.	.			trans	-96.2	148.6	-174.8	-64.7	-91.9	0	0	0	112.6	F768 E772 D798 D800 I980 R981 Q983	F768-H802 AromaticContact CZ-CE1 3.72Å; F768-H802 AromaticContact CZ-ND1 3.68Å; E772-H802 IonicContact OE1-CE1 2.85Å; E772-H802 IonicContact OE1-CG 3.31Å; E772-H802 IonicContact OE1-ND1 3.46Å; E772-H802 PolarHBondContact OE1-ND1 3.33Å; E772-H802 WeakPolarHBondContact OE2-CA 3.28Å; E772-H802 IonicContact OE2-ND1 2.84Å; D798-H802 PolarHBondContact N-O 3.44Å; D798-H802 PolarHBondContact OD1-N 2.97Å; D800-H802 PolarHBondContact O-CD2 2.94Å; H802-I980 PolarHBondContact CE1-O 2.89Å; H802-R981 VanDerWaalsContact CB-CZ 3.47Å; H802-Q983 PolarHBondContact CE1-O 3.25Å; H802-Q983 PolarHBondContact NE2-O 2.77Å; H802-Q983 VanDerWaalsContact NE2-O 3.14Å
803	I	96.9	Very high	88.9	Confident	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	155.7	-171.3	74	178.9	0	0	0	113.8	W725 M751 Y769 E772 L773 I795 L796 R981	W725-I803 HydrophobicContact CZ3-CG1 4.5Å; M751-I803 HydrophobicContact CE-CG2 3.79Å; Y769-I803 HydrophobicContact CD1-CG2 3.47Å; Y769-I803 VanDerWaalsContact CD1-CG2 3.47Å; Y769-I803 HydrophobicContact CE1-CG2 3.75Å; Y769-I803 HydrophobicContact CG-CG2 4.39Å; E772-I803 HydrophobicContact CB-CD1 3.7Å; E772-I803 HydrophobicContact CB-CG1 3.88Å; E772-I803 PolarHBondContact OE2-N 2.83Å; L773-I803 HydrophobicContact CB-CD1 3.93Å; L773-I803 HydrophobicContact CD1-CD1 4.28Å; I795-I803 HydrophobicContact CG2-CB 3.77Å; I795-I803 HydrophobicContact CG2-CD1 4.19Å; I795-I803 HydrophobicContact CG2-CG2 3.81Å; L796-I803 CarbonylContact O-C 3.57Å; L796-I803 WeakPolarHBondContact O-CA 3.19Å; I803-R981 VanDerWaalsContact O-CZ 3.31Å; I803-R981 PolarHBondContact O-NH1 2.71Å; I803-R981 PolarHBondContact O-NH2 2.81Å
804	K	96.1	Very high	87.8	Confident	25 Å²	25	20.7 Å²	20.7	11%	0.109	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	136.5	163.5	-57.8	-167.3	-163.8	-57.7	0	111.2	E724 W725 V727 I746 L796 D798	E724-K804 PolarHBondContact O-NZ 3.49Å; W725-K804 WeakPolarHBondContact O-CA 3.34Å; V727-K804 HydrophobicContact CG2-CB 4.01Å; I746-K804 HydrophobicContact CD1-CD 3.83Å; L796-K804 PolarHBondContact N-O 3.05Å; L796-K804 PolarHBondContact O-N 2.87Å; D798-K804 WeakPolarHBondContact OD2-CE 3.15Å; D798-K804 IonicContact OD2-NZ 2.87Å; D798-K804 PolarHBondContact OD2-NZ 3.43Å
805	L	96.3	Very high	86.6	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	142.9	178	-65.6	178.4	0	0	0	112.1	W725 V727 L773 A776 I777 V780 I790 I795 F808	W725-L805 PolarHBondContact O-N 3.13Å; V727-L805 WeakPolarHBondContact CG2-O 3.48Å; V727-L805 PolarHBondContact N-O 2.78Å; L773-L805 HydrophobicContact CD1-CD2 3.91Å; A776-L805 HydrophobicContact CB-CD1 3.79Å; A776-L805 HydrophobicContact CB-CG 4.05Å; I777-L805 HydrophobicContact CG1-CD1 4.4Å; V780-L805 HydrophobicContact CG2-CD1 3.98Å; I790-L805 HydrophobicContact CD1-CD1 4.36Å; I790-L805 HydrophobicContact CD1-CD2 4.07Å; I795-L805 HydrophobicContact CG1-CD2 3.95Å; L805-F808 HydrophobicContact CB-CE2 4.36Å; L805-F808 HydrophobicContact CB-CZ 3.72Å; L805-F808 WeakPolarHBondContact O-CE2 3.45Å
806	T	92.6	Very high	84.8	Confident	23 Å²	23	27 Å²	27	14%	0.141	14%	0.136	C	C	.	.			trans	-138	179.4	178.6	-163.1	0	0	0	0	112.9	H787 N794 L796	H787-T806 PolarHBondContact NE2-O 3.4Å; N794-T806 PolarHBondContact O-N 2.93Å; L796-T806 HydrophobicContact CD1-CG2 3.99Å; L796-T806 HydrophobicContact CD2-CG2 3.95Å; L796-T806 HydrophobicContact CG-CG2 3.73Å
807	D	84.5	Confident	83.4	Confident	51 Å²	51	25.7 Å²	25.7	27%	0.273	13%	0.129	S	C	.	.			trans	50.5	55.7	-179	-155.5	43.3	0	0	0	116.6	K695 G809	K695-D807 IonicContact NZ-OD1 2.67Å; K695-D807 PolarHBondContact NZ-OD1 3.25Å; D807-G809 PolarHBondContact O-N 2.86Å
808	F	84.4	Confident	82.3	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-67.8	16.6	177.1	-62	-97.8	0	0	0	115	E714 I717 L718 V726 V780 H787 L805 L810 C811	E714-F808 HydrophobicContact CG-CB 4.48Å; I717-F808 HydrophobicContact CB-CB 4.32Å; I717-F808 HydrophobicContact CB-CD1 4.35Å; I717-F808 HydrophobicContact CB-CG 4.43Å; I717-F808 HydrophobicContact CD1-CB 4.13Å; I717-F808 HydrophobicContact CD1-CD1 4.3Å; I717-F808 HydrophobicContact CG2-CB 4.37Å; I717-F808 HydrophobicContact CG2-CD1 3.53Å; I717-F808 HydrophobicContact CG2-CE1 3.98Å; I717-F808 HydrophobicContact CG2-CG 3.95Å; L718-F808 HydrophobicContact CD2-CD2 3.5Å; L718-F808 VanDerWaalsContact CD2-CD2 3.5Å; L718-F808 HydrophobicContact CD2-CE2 3.67Å; L718-F808 HydrophobicContact CD2-CG 4.47Å; L718-F808 HydrophobicContact CG-CD2 4.05Å; V726-F808 HydrophobicContact CB-CZ 4.24Å; V726-F808 HydrophobicContact CG1-CE1 4.45Å; V726-F808 HydrophobicContact CG1-CE2 3.67Å; V726-F808 HydrophobicContact CG1-CZ 3.57Å; V726-F808 HydrophobicContact CG2-CE1 4.42Å; V726-F808 HydrophobicContact CG2-CZ 3.86Å; V780-F808 HydrophobicContact CG2-CE1 3.97Å; H787-F808 AromaticContact CD2-CD1 3.74Å; H787-F808 AromaticContact CD2-CE1 3.62Å; H787-F808 AromaticContact NE2-CD1 3.87Å; H787-F808 AromaticContact NE2-CE1 3.81Å; L805-F808 HydrophobicContact CB-CE2 4.36Å; L805-F808 HydrophobicContact CB-CZ 3.72Å; L805-F808 WeakPolarHBondContact O-CE2 3.45Å; F808-L810 VanDerWaalsContact C-N 3.34Å; F808-L810 PolarHBondContact O-N 3.49Å; F808-C811 WeakPolarHBondContact CA-SG 3.34Å; F808-C811 HydrophobicContact CB-CB 4.39Å; F808-C811 WeakPolarHBondContact O-CB 3.42Å; F808-C811 PolarHBondContact O-N 3.43Å; F808-C811 PolarHBondContact O-SG 2.98Å
809	G	74.7	Confident	81.3	Confident	8 Å²	8	28.3 Å²	28.3	8%	0.082	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-62.5	-37.9	-179.3	0	0	0	0	0	113	H710 D807 C811	H710-G809 WeakPolarHBondContact CA-O 3.44Å; H710-G809 WeakPolarHBondContact CB-O 3.47Å; H710-G809 PolarHBondContact CD2-O 2.92Å; H710-G809 VanDerWaalsContact CG-O 3.25Å; D807-G809 PolarHBondContact O-N 2.86Å; G809-C811 VanDerWaalsContact C-N 3.34Å
810	L	78.8	Confident	80.3	Confident	38 Å²	38	27.5 Å²	27.5	20%	0.199	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-86.7	2	178.3	-66.6	-178	0	0	0	114	R788 D789 F808 V872	R788-L810 PolarHBondContact NE-O 2.72Å; R788-L810 PolarHBondContact NH2-O 3.05Å; D789-L810 HydrophobicContact CB-CB 4.13Å; D789-L810 HydrophobicContact CB-CD1 3.81Å; F808-L810 VanDerWaalsContact C-N 3.34Å; F808-L810 PolarHBondContact O-N 3.49Å; L810-V872 HydrophobicContact CD1-CB 4.41Å; L810-V872 HydrophobicContact CD2-CB 4.17Å; L810-V872 HydrophobicContact CD2-CG1 4.1Å
811	C	81	Confident	79.4	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.007	14%	0.143	C	C	.	.			trans	-70.9	164.5	-176.6	-60.4	0	0	0	0	113.9	I717 I786 H787 R788 F808 G809	I717-C811 HydrophobicContact CD1-CB 3.26Å; I786-C811 VanDerWaalsContact O-CA 3.25Å; I786-C811 WeakPolarHBondContact O-CA 3.22Å; I786-C811 WeakPolarHBondContact O-CB 3.36Å; H787-C811 VanDerWaalsContact CA-SG 3.57Å; H787-C811 WeakPolarHBondContact O-CA 3.4Å; H787-C811 PolarHBondContact O-SG 2.87Å; R788-C811 PolarHBondContact NH2-O 3.22Å; R788-C811 VanDerWaalsContact NH2-O 3.15Å; F808-C811 WeakPolarHBondContact CA-SG 3.34Å; F808-C811 HydrophobicContact CB-CB 4.39Å; F808-C811 WeakPolarHBondContact O-CB 3.42Å; F808-C811 PolarHBondContact O-N 3.43Å; F808-C811 PolarHBondContact O-SG 2.98Å; G809-C811 VanDerWaalsContact C-N 3.34Å
812	T	77.2	Confident	78.1	Confident	12 Å²	12	31.7 Å²	31.7	7%	0.074	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-138.9	142.1	170.6	-180	0	0	0	0	111.2	F785 I786 F814 A868	F785-T812 CarbonylContact C-O 3.56Å; F785-T812 VanDerWaalsContact CA-O 3.29Å; F785-T812 WeakPolarHBondContact CA-O 3.46Å; I786-T812 HydrophobicContact CB-CG2 4.02Å; I786-T812 HydrophobicContact CD1-CG2 4.23Å; I786-T812 HydrophobicContact CG1-CG2 4.42Å; I786-T812 PolarHBondContact N-O 3.13Å; I786-T812 PolarHBondContact O-N 3.35Å; T812-F814 HydrophobicContact CG2-CZ 4.5Å; T812-F814 PolarHBondContact OG1-N 3.2Å; T812-A868 HydrophobicContact CG2-CB 4.19Å
813	G	61.2	Low	76.9	Confident	15 Å²	15	31.9 Å²	31.9	16%	0.155	15%	0.154	C	C	.	.			trans	-125.2	25.5	168.1	0	0	0	0	0	112.1	G784 R815	G784-G813 WeakPolarHBondContact O-CA 3.46Å; G813-R815 PolarHBondContact O-N 2.93Å
814	F	64.9	Low	75.6	Confident	58 Å²	58	36.2 Å²	36.2	25%	0.254	17%	0.174	S	C	.	.	S	Bend	trans	57.1	1.5	-176.1	-56.1	-79.6	0	0	0	116.3	I786 T812 W816 C866 A868	I786-F814 HydrophobicContact CD1-CE2 3.72Å; I786-F814 HydrophobicContact CD1-CZ 3.63Å; I786-F814 HydrophobicContact CG1-CE2 4.39Å; T812-F814 HydrophobicContact CG2-CZ 4.5Å; T812-F814 PolarHBondContact OG1-N 3.2Å; F814-W816 PolarHBondContact O-N 2.88Å; F814-C866 VanDerWaalsContact CZ-C 3.46Å; F814-C866 WeakPolarHBondContact CZ-O 3.44Å; F814-A868 HydrophobicContact CE1-CB 4.06Å; F814-A868 HydrophobicContact CZ-CB 4.32Å
815	R	68.3	Low	73.4	Confident	63 Å²	63	42.6 Å²	42.6	24%	0.238	20%	0.202	C	C	.	.			trans	-62.1	131.8	169.6	-67.2	177.3	62.3	-154.5	-14	109.9	D716 E720 G813 T817 H818	D716-R815 IonicContact OD2-CZ 3.3Å; D716-R815 VanDerWaalsContact OD2-CZ 3.24Å; D716-R815 IonicContact OD2-NH1 3.47Å; D716-R815 PolarHBondContact OD2-NH1 2.85Å; D716-R815 IonicContact OD2-NH2 2.65Å; D716-R815 PolarHBondContact OD2-NH2 3.4Å; E720-R815 IonicContact OE1-NH1 2.9Å; G813-R815 PolarHBondContact O-N 2.93Å; R815-T817 PolarHBondContact O-N 3Å; R815-T817 VanDerWaalsContact O-N 3.17Å; R815-H818 WeakPolarHBondContact O-CB 3.16Å; R815-H818 PolarHBondContact O-N 3.4Å
816	W	59.5	Low	71.2	Confident	79 Å²	79	44.8 Å²	44.8	30%	0.299	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-60	-27.5	-178.6	58.9	-91.3	0	0	0	113.2	F602 F814 H818 N819 Y822	F602-W816 AromaticContact CD2-CH2 3.6Å; F602-W816 HydrophobicContact CD2-CH2 3.6Å; F602-W816 AromaticContact CD2-CZ3 3.86Å; F602-W816 HydrophobicContact CD2-CZ3 3.86Å; F602-W816 AromaticContact CE2-CH2 3.51Å; F602-W816 HydrophobicContact CE2-CH2 3.51Å; F602-W816 AromaticContact CE2-CZ3 3.65Å; F602-W816 HydrophobicContact CE2-CZ3 3.65Å; F814-W816 PolarHBondContact O-N 2.88Å; W816-H818 PolarHBondContact O-N 3.16Å; W816-N819 WeakPolarHBondContact O-CB 3.38Å; W816-N819 PolarHBondContact O-N 2.91Å; W816-N819 VanDerWaalsContact O-N 3.17Å; W816-Y822 HydrophobicContact CE3-CD1 4.41Å; W816-Y822 AromaticContact CE3-CD2 3.84Å; W816-Y822 HydrophobicContact CE3-CD2 3.84Å; W816-Y822 HydrophobicContact CE3-CE1 4.31Å; W816-Y822 AromaticContact CE3-CE2 3.71Å; W816-Y822 HydrophobicContact CE3-CE2 3.71Å; W816-Y822 HydrophobicContact CE3-CG 4.2Å; W816-Y822 AromaticContact CE3-CZ 3.98Å; W816-Y822 HydrophobicContact CZ3-CD1 4.3Å; W816-Y822 HydrophobicContact CZ3-CD2 4.18Å; W816-Y822 AromaticContact CZ3-CE1 3.79Å; W816-Y822 HydrophobicContact CZ3-CE1 3.79Å; W816-Y822 AromaticContact CZ3-CE2 3.64Å; W816-Y822 HydrophobicContact CZ3-CE2 3.64Å; W816-Y822 HydrophobicContact CZ3-CG 4.49Å; W816-Y822 AromaticContact CZ3-CZ 3.44Å; W816-Y822 VanDerWaalsContact CZ3-CZ 3.44Å
817	T	68.5	Low	68.6	Low	4 Å²	4	49.7 Å²	49.7	3%	0.025	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-64.2	-17.8	171.7	46.5	0	0	0	0	114	R815 Y823	R815-T817 PolarHBondContact O-N 3Å; R815-T817 VanDerWaalsContact O-N 3.17Å; T817-Y823 WeakPolarHBondContact O-CE2 3.4Å
818	H	72.8	Confident	66.8	Low	8 Å²	8	52.9 Å²	52.9	4%	0.037	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-98.8	5.9	178.3	-56.7	-164	0	0	0	111.3	A713 F785 R815 W816	A713-H818 HydrophobicContact CB-CB 4.16Å; F785-H818 AromaticContact CE1-CE1 3.89Å; R815-H818 WeakPolarHBondContact O-CB 3.16Å; R815-H818 PolarHBondContact O-N 3.4Å; W816-H818 PolarHBondContact O-N 3.16Å
819	N	72.4	Confident	64.9	Low	62 Å²	62	58.9 Å²	58.9	33%	0.332	31%	0.309	S	S	.	.			trans	-100.6	112.1	-179.7	-174.8	-13.7	0	0	0	111.1	W816 K821 Y822	W816-N819 WeakPolarHBondContact O-CB 3.38Å; W816-N819 PolarHBondContact O-N 2.91Å; W816-N819 VanDerWaalsContact O-N 3.17Å; N819-K821 PolarHBondContact O-N 3.39Å; N819-K821 WeakPolarHBondContact OD1-CB 3.4Å; N819-K821 WeakPolarHBondContact OD1-CG 3.24Å; N819-K821 PolarHBondContact OD1-N 3.09Å; N819-K821 VanDerWaalsContact OD1-N 3.08Å; N819-Y822 VanDerWaalsContact O-CB 3.27Å; N819-Y822 WeakPolarHBondContact O-CB 3.5Å; N819-Y822 PolarHBondContact O-N 3.45Å
820	S	72.1	Confident	63.4	Low	24 Å²	24	64.7 Å²	64.7	17%	0.168	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-58.1	-24.9	-178.2	-42.9	0	0	0	0	114	Y822 Y823 Q824	S820-Y822 PolarHBondContact O-N 3.35Å; S820-Y823 PolarHBondContact O-N 3.26Å; S820-Q824 WeakPolarHBondContact O-CG 3.36Å; S820-Q824 PolarHBondContact O-N 2.83Å
821	K	73	Confident	61.5	Low	132 Å²	132	70 Å²	70	57%	0.574	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-58.6	-31.4	173.4	-64.3	-178	179.2	-178.5	0	112.8	N819 Y823 Q824	N819-K821 PolarHBondContact O-N 3.39Å; N819-K821 WeakPolarHBondContact OD1-CB 3.4Å; N819-K821 WeakPolarHBondContact OD1-CG 3.24Å; N819-K821 PolarHBondContact OD1-N 3.09Å; N819-K821 VanDerWaalsContact OD1-N 3.08Å; K821-Y823 VanDerWaalsContact C-N 3.32Å; K821-Y823 PolarHBondContact O-N 3.32Å; K821-Q824 PolarHBondContact O-N 2.89Å
822	Y	68.9	Low	59.5	Low	53 Å²	53	72.8 Å²	72.8	21%	0.208	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-65.3	-34.9	-179.6	-178.7	-92.9	0	0	0	112.7	Y598 F602 W816 N819 S820 H1033	Y598-Y822 AromaticContact CE1-CZ 3.88Å; Y598-Y822 WeakPolarHBondContact CE1-OH 3.35Å; Y598-Y822 WeakPolarHBondContact OH-CE2 3.32Å; Y598-Y822 PolarHBondContact OH-OH 3.1Å; F602-Y822 HydrophobicContact CD2-CE1 4.3Å; F602-Y822 WeakPolarHBondContact CD2-OH 3.32Å; F602-Y822 HydrophobicContact CE2-CE1 4.25Å; W816-Y822 HydrophobicContact CE3-CD1 4.41Å; W816-Y822 AromaticContact CE3-CD2 3.84Å; W816-Y822 HydrophobicContact CE3-CD2 3.84Å; W816-Y822 HydrophobicContact CE3-CE1 4.31Å; W816-Y822 AromaticContact CE3-CE2 3.71Å; W816-Y822 HydrophobicContact CE3-CE2 3.71Å; W816-Y822 HydrophobicContact CE3-CG 4.2Å; W816-Y822 AromaticContact CE3-CZ 3.98Å; W816-Y822 HydrophobicContact CZ3-CD1 4.3Å; W816-Y822 HydrophobicContact CZ3-CD2 4.18Å; W816-Y822 AromaticContact CZ3-CE1 3.79Å; W816-Y822 HydrophobicContact CZ3-CE1 3.79Å; W816-Y822 AromaticContact CZ3-CE2 3.64Å; W816-Y822 HydrophobicContact CZ3-CE2 3.64Å; W816-Y822 HydrophobicContact CZ3-CG 4.49Å; W816-Y822 AromaticContact CZ3-CZ 3.44Å; W816-Y822 VanDerWaalsContact CZ3-CZ 3.44Å; N819-Y822 VanDerWaalsContact O-CB 3.27Å; N819-Y822 WeakPolarHBondContact O-CB 3.5Å; N819-Y822 PolarHBondContact O-N 3.45Å; S820-Y822 PolarHBondContact O-N 3.35Å; Y822-H1033 AromaticContact CE1-NE2 3.57Å
823	Y	71.7	Confident	57.9	Low	13 Å²	13	75.6 Å²	75.6	5%	0.051	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-93	-1.4	-178.5	-61.5	-72.8	0	0	0	113.6	V708 A709 T817 S820 K821 P1031	V708-Y823 HydrophobicContact CB-CD1 4.22Å; V708-Y823 HydrophobicContact CB-CD2 4Å; V708-Y823 HydrophobicContact CB-CE2 4.38Å; V708-Y823 HydrophobicContact CB-CG 3.9Å; V708-Y823 HydrophobicContact CG1-CD1 3.72Å; V708-Y823 HydrophobicContact CG1-CD2 3.94Å; V708-Y823 HydrophobicContact CG1-CE1 3.68Å; V708-Y823 HydrophobicContact CG1-CE2 3.89Å; V708-Y823 HydrophobicContact CG1-CG 3.86Å; A709-Y823 HydrophobicContact CB-CD2 4.01Å; A709-Y823 HydrophobicContact CB-CE2 4.15Å; T817-Y823 WeakPolarHBondContact O-CE2 3.4Å; S820-Y823 PolarHBondContact O-N 3.26Å; K821-Y823 VanDerWaalsContact C-N 3.32Å; K821-Y823 PolarHBondContact O-N 3.32Å; Y823-P1031 HydrophobicContact CD1-CB 4.42Å
824	Q	68.9	Low	56.8	Low	92 Å²	92	81 Å²	81	43%	0.43	41%	0.41	S	S	.	.	S	Bend	trans	-77.3	148.6	176.8	-75.8	167.6	-1.4	0	0	111.5	S820 K821 G826	S820-Q824 WeakPolarHBondContact O-CG 3.36Å; S820-Q824 PolarHBondContact O-N 2.83Å; K821-Q824 PolarHBondContact O-N 2.89Å; Q824-G826 PolarHBondContact O-N 3.49Å
825	K	50.3	Low	55.5	Low	159 Å²	159	85 Å²	85	69%	0.691	43%	0.43	S	S	*	.	S	Bend	trans	-77.7	77.6	-166.6	-162.9	176.6	-173.1	-179	0	112.1	N1028	K825-N1028 PolarHBondContact NZ-OD1 3.02Å
826	G	48.9	Very low	53.9	Low	46 Å²	46	86.7 Å²	86.7	47%	0.474	45%	0.448	S	S	.	.	S	Bend	trans	-153	159.3	178.8	0	0	0	0	0	113.8	Q824 H828	Q824-G826 PolarHBondContact O-N 3.49Å; G826-H828 PolarHBondContact O-N 3.26Å
827	S	38.6	Very low	52.8	Low	126 Å²	126	86.2 Å²	86.2	88%	0.881	46%	0.457	S	S	*	.			trans	-79	60.8	177	-178.7	0	0	0	0	111.7	V829	S827-V829 PolarHBondContact O-N 2.91Å; S827-V829 VanDerWaalsContact O-N 3.07Å
828	H	46.3	Very low	51.4	Low	117 Å²	117	93 Å²	93	54%	0.542	49%	0.494	S	S	.	.			trans	-72.3	102.8	176.6	-67.9	-70	0	0	0	110.6	G826	G826-H828 PolarHBondContact O-N 3.26Å
829	V	44.5	Very low	49.9	Very low	127 Å²	127	99.7 Å²	99.7	77%	0.77	53%	0.529	S	S	*	.			trans	-52.5	147.4	150.3	179.3	0	0	0	0	107.6	S827 Q831	S827-V829 PolarHBondContact O-N 2.91Å; S827-V829 VanDerWaalsContact O-N 3.07Å; V829-Q831 PolarHBondContact O-N 3.07Å
830	R	42.6	Very low	48.6	Very low	129 Å²	129	107 Å²	107	49%	0.487	55%	0.552	S	S	.	*			trans	-54.3	112.1	179.3	-79.6	180	169.3	-169.6	8	110.6	E605 D832	E605-R830 VanDerWaalsContact CD-NH2 3.29Å; E605-R830 IonicContact OE1-NH2 3.6Å; E605-R830 PolarHBondContact OE1-NH2 3.21Å; E605-R830 IonicContact OE2-NH2 2.79Å; E605-R830 PolarHBondContact OE2-NH2 3.33Å; R830-D832 VanDerWaalsContact CD-OD1 3.3Å; R830-D832 WeakPolarHBondContact CD-OD1 3.26Å; R830-D832 WeakPolarHBondContact CD-OD2 3.4Å; R830-D832 IonicContact NE-OD1 2.72Å; R830-D832 IonicContact NH1-OD1 3.48Å; R830-D832 IonicContact NH1-OD2 3.14Å; R830-D832 PolarHBondContact NH1-OD2 3.42Å
831	Q	39.8	Very low	47	Very low	150 Å²	150	112.5 Å²	112.5	70%	0.701	58%	0.58	S	S	*	*			trans	-87.3	89.3	138.7	-74.2	-175	-31.4	0	0	105.8	V829	V829-Q831 PolarHBondContact O-N 3.07Å
832	D	38.8	Very low	45.2	Very low	59 Å²	59	112.4 Å²	112.4	32%	0.316	59%	0.585	S	S	.	*			trans	-61.2	135.5	164.5	-77.1	-24	0	0	0	106.8	R830 M834 E835	R830-D832 VanDerWaalsContact CD-OD1 3.3Å; R830-D832 WeakPolarHBondContact CD-OD1 3.26Å; R830-D832 WeakPolarHBondContact CD-OD2 3.4Å; R830-D832 IonicContact NE-OD1 2.72Å; R830-D832 IonicContact NH1-OD1 3.48Å; R830-D832 IonicContact NH1-OD2 3.14Å; R830-D832 PolarHBondContact NH1-OD2 3.42Å; D832-M834 PolarHBondContact O-N 2.95Å; D832-E835 PolarHBondContact O-N 3.47Å
833	S	44.5	Very low	44	Very low	72 Å²	72	115.7 Å²	115.7	50%	0.503	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70	25.5	-171.2	-163.9	0	0	0	0	114.7
834	M	38.1	Very low	42.8	Very low	129 Å²	129	119.6 Å²	119.6	64%	0.635	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139	-10.5	-172.5	-172.3	153.1	54.1	0	0	113	D832 R865	D832-M834 PolarHBondContact O-N 2.95Å; M834-R865 PolarHBondContact O-NH2 2.66Å
835	E	37.1	Very low	41.5	Very low	141 Å²	141	122.9 Å²	122.9	66%	0.659	66%	0.66	S	S	*	*	S	Bend	trans	-94.9	127.5	174.4	-164.5	146.3	-114.7	0	0	110	D832	D832-E835 PolarHBondContact O-N 3.47Å
836	P	33.8	Very low	40.9	Very low	98 Å²	98	120.6 Å²	120.6	64%	0.636	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-63.4	154.3	173.9	-19.4	32.7	0	0	0	111.6	D838	P836-D838 PolarHBondContact O-N 2.91Å
837	S	36.3	Very low	40.6	Very low	69 Å²	69	130.6 Å²	130.6	48%	0.483	69%	0.687	S	S	.	*	P	Polyproline II helix	trans	-63.1	135.7	174.4	-167.3	0	0	0	0	111.1	L839	S837-L839 PolarHBondContact O-N 2.97Å
838	D	40.3	Very low	40.7	Very low	148 Å²	148	129.8 Å²	129.8	79%	0.791	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	17	-177.7	-49.6	-82.3	0	0	0	115.7	P836	P836-D838 PolarHBondContact O-N 2.91Å
839	L	40.8	Very low	40.3	Very low	147 Å²	147	127.6 Å²	127.6	77%	0.77	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-11.9	-179.1	-87.4	160.3	0	0	0	113.5	S837	S837-L839 PolarHBondContact O-N 2.97Å
840	W	44.5	Very low	40.2	Very low	215 Å²	215	128.3 Å²	128.3	81%	0.814	69%	0.688	S	S	*	*	S	Bend	trans	-114.2	5.3	-174.2	-69.7	0.6	0	0	0	114.1	D842	W840-D842 VanDerWaalsContact C-N 3.27Å; W840-D842 PolarHBondContact O-N 3.03Å
841	D	38.6	Very low	40.6	Very low	141 Å²	141	133.4 Å²	133.4	75%	0.754	71%	0.707	S	S	*	*			trans	-93	37.3	-179.5	-130.5	39.1	0	0	0	112.5	V843	D841-V843 PolarHBondContact O-N 3.23Å
842	D	36.5	Very low	40.9	Very low	129 Å²	129	134.1 Å²	134.1	69%	0.69	72%	0.715	S	S	*	*			trans	-79.3	64.1	169.2	-161	-8.1	0	0	0	110.4	W840 S844	W840-D842 VanDerWaalsContact C-N 3.27Å; W840-D842 PolarHBondContact O-N 3.03Å; D842-S844 PolarHBondContact O-N 3.08Å; D842-S844 WeakPolarHBondContact OD1-CB 3.34Å; D842-S844 PolarHBondContact OD1-OG 3.42Å
843	V	44.2	Very low	41.7	Very low	122 Å²	122	138 Å²	138	74%	0.739	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	49.4	-179.8	-166.4	0	0	0	0	110.2	D841	D841-V843 PolarHBondContact O-N 3.23Å
844	S	45.3	Very low	42.4	Very low	96 Å²	96	137.7 Å²	137.7	67%	0.671	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	-12.7	-172.2	-57.3	0	0	0	0	114.1	D842	D842-S844 PolarHBondContact O-N 3.08Å; D842-S844 WeakPolarHBondContact OD1-CB 3.34Å; D842-S844 PolarHBondContact OD1-OG 3.42Å
845	N	42.7	Very low	43	Very low	161 Å²	161	138.3 Å²	138.3	86%	0.861	73%	0.729	S	S	*	*	S	Bend	trans	-140.1	39.2	-164.3	-144.1	6.3	0	0	0	116.9
846	C	37	Very low	43.7	Very low	111 Å²	111	136.8 Å²	136.8	75%	0.75	72%	0.722	S	S	*	*			trans	-148.9	125.2	158.7	-162.9	0	0	0	0	112.6
847	R	42	Very low	44.6	Very low	256 Å²	256	136.9 Å²	136.9	97%	0.966	71%	0.714	S	S	*	*			trans	-113.9	49.4	-174.1	-140	-176.4	-175.5	-149.1	2.3	112.2
848	C	41.5	Very low	45.5	Very low	108 Å²	108	141.6 Å²	141.6	73%	0.73	72%	0.721	S	S	*	*	S	Bend	trans	-158.6	160.4	171.4	57.7	0	0	0	0	113.6
849	G	36.7	Very low	46.2	Very low	71 Å²	71	137 Å²	137	73%	0.732	71%	0.705	S	S	*	*			trans	91.3	22	150.6	0	0	0	0	0	120.3	R851	G849-R851 PolarHBondContact O-N 3.41Å
850	D	43.3	Very low	46.8	Very low	142 Å²	142	137.4 Å²	137.4	76%	0.759	70%	0.696	S	S	*	*			trans	-75.9	59	177.2	-159.2	23.7	0	0	0	113.7
851	R	50.5	Low	47.4	Very low	236 Å²	236	133.8 Å²	133.8	89%	0.891	69%	0.686	S	S	*	*	S	Bend	trans	-135.6	119.3	163.3	-77.1	-166.9	173.7	-141	-3.1	109.3	G849	G849-R851 PolarHBondContact O-N 3.41Å
852	L	47	Very low	48.2	Very low	165 Å²	165	133.1 Å²	133.1	86%	0.864	68%	0.678	S	S	*	*			trans	66.1	77	175.4	-130.4	74	0	0	0	115.1	T854	L852-T854 PolarHBondContact O-N 3.07Å; L852-T854 VanDerWaalsContact O-N 3.14Å
853	K	54.4	Low	49.1	Very low	140 Å²	140	132 Å²	132	61%	0.609	67%	0.669	S	S	*	*			trans	-48.7	120.5	148.6	-75.4	162.9	179.1	146.5	0	107.6
854	T	59.8	Low	49.6	Very low	66 Å²	66	131.3 Å²	131.3	41%	0.405	66%	0.657	S	S	.	*			trans	-57.3	149.6	-171.6	60.2	0	0	0	0	110.8	L852 E856 Q857 R858	L852-T854 PolarHBondContact O-N 3.07Å; L852-T854 VanDerWaalsContact O-N 3.14Å; T854-E856 PolarHBondContact O-N 2.67Å; T854-E856 VanDerWaalsContact O-N 3.16Å; T854-Q857 PolarHBondContact O-N 3.42Å; T854-Q857 WeakPolarHBondContact OG1-CG 3.48Å; T854-Q857 PolarHBondContact OG1-N 2.93Å; T854-Q857 VanDerWaalsContact OG1-N 3.08Å; T854-R858 PolarHBondContact O-N 3.28Å
855	L	51.7	Low	49.7	Very low	142 Å²	142	133.1 Å²	133.1	74%	0.743	65%	0.649	S	S	*	*	H	α-helix	trans	-53.9	-35.8	174.5	-70.1	174.6	0	0	0	110.6	R858 A859	L855-R858 PolarHBondContact O-N 3.45Å; L855-A859 WeakPolarHBondContact O-CB 3.44Å; L855-A859 PolarHBondContact O-N 2.81Å
856	E	51.7	Low	50.5	Low	109 Å²	109	128 Å²	128	51%	0.509	63%	0.626	S	S	.	*	H	α-helix	trans	-62.5	-46.3	172.9	-162.4	-165	-174.4	0	0	113.6	T854 R858 A859 R860	T854-E856 PolarHBondContact O-N 2.67Å; T854-E856 VanDerWaalsContact O-N 3.16Å; E856-R858 VanDerWaalsContact C-N 3.26Å; E856-R858 PolarHBondContact O-N 3.09Å; E856-A859 PolarHBondContact O-N 3.37Å; E856-R860 HydrophobicContact CG-CG 4.46Å; E856-R860 WeakPolarHBondContact O-CB 3.37Å; E856-R860 VanDerWaalsContact O-CG 3.28Å; E856-R860 WeakPolarHBondContact O-CG 3.25Å; E856-R860 PolarHBondContact O-N 3.2Å; E856-R860 IonicContact OE1-CZ 2.65Å; E856-R860 VanDerWaalsContact OE1-CZ 3.27Å; E856-R860 IonicContact OE1-NE 2.61Å; E856-R860 PolarHBondContact OE1-NE 3.12Å; E856-R860 VanDerWaalsContact OE1-NE 3.14Å; E856-R860 IonicContact OE1-NH2 3.63Å; E856-R860 PolarHBondContact OE1-NH2 3.46Å; E856-R860 IonicContact OE2-NH2 3.23Å
857	Q	51.3	Low	51.5	Low	101 Å²	101	124.2 Å²	124.2	47%	0.472	60%	0.598	S	S	.	*	H	α-helix	trans	-61.9	-35.3	174.1	-79.4	-178.7	8.3	0	0	112.2	T854 K861	T854-Q857 PolarHBondContact O-N 3.42Å; T854-Q857 WeakPolarHBondContact OG1-CG 3.48Å; T854-Q857 PolarHBondContact OG1-N 2.93Å; T854-Q857 VanDerWaalsContact OG1-N 3.08Å; Q857-K861 WeakPolarHBondContact O-CB 3.36Å; Q857-K861 WeakPolarHBondContact O-CG 3.5Å; Q857-K861 PolarHBondContact O-N 3.14Å; Q857-K861 VanDerWaalsContact O-N 3.09Å
858	R	55.3	Low	51.9	Low	167 Å²	167	112.4 Å²	112.4	63%	0.63	56%	0.555	S	S	*	*	H	α-helix	trans	-67.6	-45.2	173.4	-172.8	-179	-65.3	-177.8	0.4	111	T854 L855 E856 K861 Q862	T854-R858 PolarHBondContact O-N 3.28Å; L855-R858 PolarHBondContact O-N 3.45Å; E856-R858 VanDerWaalsContact C-N 3.26Å; E856-R858 PolarHBondContact O-N 3.09Å; R858-K861 PolarHBondContact O-N 3.24Å; R858-Q862 WeakPolarHBondContact O-CB 3.47Å; R858-Q862 PolarHBondContact O-N 2.74Å
859	A	54.8	Low	52.5	Low	53 Å²	53	112.6 Å²	112.6	44%	0.438	55%	0.545	S	S	.	.	H	α-helix	trans	-62.1	-46	177.3	0	0	0	0	0	111.6	L855 E856 K861 Q862 H863	L855-A859 WeakPolarHBondContact O-CB 3.44Å; L855-A859 PolarHBondContact O-N 2.81Å; E856-A859 PolarHBondContact O-N 3.37Å; A859-K861 PolarHBondContact O-N 2.7Å; A859-Q862 PolarHBondContact O-N 3.05Å; A859-H863 WeakPolarHBondContact O-CB 3.29Å; A859-H863 PolarHBondContact O-N 3.3Å
860	R	54.1	Low	53.5	Low	155 Å²	155	111.9 Å²	111.9	59%	0.585	53%	0.529	S	S	*	.	H	α-helix	trans	-57.5	-45.1	173.6	-70	174.5	-175.2	-157.9	6	111.5	E856 Q864	E856-R860 HydrophobicContact CG-CG 4.46Å; E856-R860 WeakPolarHBondContact O-CB 3.37Å; E856-R860 VanDerWaalsContact O-CG 3.28Å; E856-R860 WeakPolarHBondContact O-CG 3.25Å; E856-R860 PolarHBondContact O-N 3.2Å; E856-R860 IonicContact OE1-CZ 2.65Å; E856-R860 VanDerWaalsContact OE1-CZ 3.27Å; E856-R860 IonicContact OE1-NE 2.61Å; E856-R860 PolarHBondContact OE1-NE 3.12Å; E856-R860 VanDerWaalsContact OE1-NE 3.14Å; E856-R860 IonicContact OE1-NH2 3.63Å; E856-R860 PolarHBondContact OE1-NH2 3.46Å; E856-R860 IonicContact OE2-NH2 3.23Å; R860-Q864 WeakPolarHBondContact O-CB 3.35Å; R860-Q864 PolarHBondContact O-N 2.83Å
861	K	57.1	Low	54.5	Low	138 Å²	138	108.8 Å²	108.8	60%	0.6	51%	0.512	S	S	*	.	H	α-helix	trans	-71.4	-27.2	176.7	-72.8	-170.5	177.1	-164.8	0	114.1	Q857 R858 A859 R865	Q857-K861 WeakPolarHBondContact O-CB 3.36Å; Q857-K861 WeakPolarHBondContact O-CG 3.5Å; Q857-K861 PolarHBondContact O-N 3.14Å; Q857-K861 VanDerWaalsContact O-N 3.09Å; R858-K861 PolarHBondContact O-N 3.24Å; A859-K861 PolarHBondContact O-N 2.7Å; K861-R865 WeakPolarHBondContact O-CG 3.37Å; K861-R865 PolarHBondContact O-N 3.1Å
862	Q	55.9	Low	55	Low	128 Å²	128	98.7 Å²	98.7	60%	0.598	48%	0.476	S	S	*	.	H	α-helix	trans	-75.9	-47	172.7	-179.6	172.8	-18.1	0	0	111	R858 A859 Q864 R865 C866	R858-Q862 WeakPolarHBondContact O-CB 3.47Å; R858-Q862 PolarHBondContact O-N 2.74Å; A859-Q862 PolarHBondContact O-N 3.05Å; Q862-Q864 VanDerWaalsContact C-N 3.34Å; Q862-Q864 PolarHBondContact O-N 2.88Å; Q862-R865 WeakPolarHBondContact O-CB 3.27Å; Q862-R865 PolarHBondContact O-N 3.35Å; Q862-C866 PolarHBondContact O-N 3.25Å; Q862-C866 PolarHBondContact O-SG 3.25Å
863	H	55.8	Low	55.6	Low	106 Å²	106	91.8 Å²	91.8	49%	0.491	45%	0.445	S	S	.	.	H	α-helix	trans	-55.1	-47.9	173.8	177.7	86.7	0	0	0	111.1	A859 R865 C866 L867	A859-H863 WeakPolarHBondContact O-CB 3.29Å; A859-H863 PolarHBondContact O-N 3.3Å; H863-R865 PolarHBondContact O-N 2.81Å; H863-C866 CarbonylContact O-C 3.08Å; H863-C866 WeakPolarHBondContact O-CA 3.44Å; H863-C866 PolarHBondContact O-N 2.83Å; H863-L867 PolarHBondContact O-N 2.93Å
864	Q	52.9	Low	56.6	Low	107 Å²	107	87 Å²	87	50%	0.5	43%	0.428	S	S	.	.	H	α-helix	trans	-60.2	-28.2	176.6	-167.2	177	20.1	0	0	113.7	R860 Q862 C866	R860-Q864 WeakPolarHBondContact O-CB 3.35Å; R860-Q864 PolarHBondContact O-N 2.83Å; Q862-Q864 VanDerWaalsContact C-N 3.34Å; Q862-Q864 PolarHBondContact O-N 2.88Å; Q864-C866 VanDerWaalsContact C-N 3.31Å
865	R	49.3	Very low	57.5	Low	133 Å²	133	85.7 Å²	85.7	50%	0.502	42%	0.42	S	S	.	.	H	α-helix	trans	-77.2	-17	172.9	-74.3	169.6	165.4	-176.3	-7.9	113.5	M834 K861 Q862 H863	M834-R865 PolarHBondContact O-NH2 2.66Å; K861-R865 WeakPolarHBondContact O-CG 3.37Å; K861-R865 PolarHBondContact O-N 3.1Å; Q862-R865 WeakPolarHBondContact O-CB 3.27Å; Q862-R865 PolarHBondContact O-N 3.35Å; H863-R865 PolarHBondContact O-N 2.81Å
866	C	58	Low	59.2	Low	55 Å²	55	80.6 Å²	80.6	37%	0.372	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	12.7	174.6	-57.3	0	0	0	0	112.7	F814 Q862 H863 Q864	F814-C866 VanDerWaalsContact CZ-C 3.46Å; F814-C866 WeakPolarHBondContact CZ-O 3.44Å; Q862-C866 PolarHBondContact O-N 3.25Å; Q862-C866 PolarHBondContact O-SG 3.25Å; H863-C866 CarbonylContact O-C 3.08Å; H863-C866 WeakPolarHBondContact O-CA 3.44Å; H863-C866 PolarHBondContact O-N 2.83Å; Q864-C866 VanDerWaalsContact C-N 3.31Å
867	L	57.8	Low	61.2	Low	31 Å²	31	75.9 Å²	75.9	16%	0.162	37%	0.371	C	S	.	.			trans	-91	117.8	173.3	-65.5	-179.4	0	0	0	110.7	H863 H869 Y888 T889	H863-L867 PolarHBondContact O-N 2.93Å; L867-H869 PolarHBondContact O-CD2 3.48Å; L867-Y888 WeakPolarHBondContact CA-O 3.25Å; L867-T889 HydrophobicContact CD2-CG2 3.7Å
868	A	52.3	Low	63.1	Low	8 Å²	8	71.5 Å²	71.5	7%	0.066	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-85.7	144	165.7	0	0	0	0	0	109.8	T812 F814 G887 Y888	T812-A868 HydrophobicContact CG2-CB 4.19Å; F814-A868 HydrophobicContact CE1-CB 4.06Å; F814-A868 HydrophobicContact CZ-CB 4.32Å; A868-G887 WeakPolarHBondContact O-CA 3.48Å; A868-Y888 HydrophobicContact CB-CD2 4.08Å; A868-Y888 HydrophobicContact CB-CE1 4.12Å; A868-Y888 HydrophobicContact CB-CE2 3.51Å; A868-Y888 PolarHBondContact N-O 3.46Å; A868-Y888 WeakPolarHBondContact O-CD1 3.5Å; A868-Y888 WeakPolarHBondContact O-CE1 3.28Å; A868-Y888 PolarHBondContact O-N 3Å
869	H	53.6	Low	65	Low	112 Å²	112	63.6 Å²	63.6	52%	0.519	32%	0.322	S	S	.	.			trans	-121.8	6	-175.3	-66.8	-82.4	0	0	0	113.8	L867	L867-H869 PolarHBondContact O-CD2 3.48Å
870	S	56.9	Low	66.8	Low	56 Å²	56	61.4 Å²	61.4	39%	0.392	30%	0.303	S	S	.	.			trans	-85.1	128.4	178.9	-56.6	0	0	0	0	110.9	V872 Y888	S870-V872 PolarHBondContact O-N 3.32Å; S870-Y888 WeakPolarHBondContact O-CE1 3.5Å; S870-Y888 PolarHBondContact O-OH 3.47Å
871	L	63.8	Low	68.5	Low	77 Å²	77	55 Å²	55	40%	0.403	28%	0.279	S	S	.	.			trans	-73.8	107.9	167.5	179.1	63.4	0	0	0	108.8	I878 V882 L883	L871-I878 HydrophobicContact CD1-CD1 4.09Å; L871-V882 HydrophobicContact CD1-CG1 4.41Å; L871-L883 HydrophobicContact CD1-CD2 3.86Å
872	V	61.6	Low	70	Confident	23 Å²	23	48.7 Å²	48.7	14%	0.139	25%	0.252	C	S	.	.			trans	-148.9	159.8	179.3	-65.6	0	0	0	0	109.2	R788 L810 S870 I878	R788-V872 HydrophobicContact CB-CG2 3.95Å; L810-V872 HydrophobicContact CD1-CB 4.41Å; L810-V872 HydrophobicContact CD2-CB 4.17Å; L810-V872 HydrophobicContact CD2-CG1 4.1Å; S870-V872 PolarHBondContact O-N 3.32Å; V872-I878 WeakPolarHBondContact O-CD1 3.02Å
873	G	59.9	Low	71.3	Confident	21 Å²	21	43.4 Å²	43.4	22%	0.216	23%	0.228	C	C	.	.	S	Bend	trans	111.7	157.4	178.8	0	0	0	0	0	113.1	R788 D789	R788-G873 WeakPolarHBondContact O-CA 3.17Å; D789-G873 WeakPolarHBondContact OD1-CA 3.37Å
874	T	75.6	Confident	72.7	Confident	40 Å²	40	42 Å²	42	25%	0.245	22%	0.224	C	C	.	.			trans	-76.4	129.3	-177.3	-59.3	0	0	0	0	110.6	D789 K791 N876 Y877 I878	D789-T874 VanDerWaalsContact OD1-CB 3.3Å; D789-T874 WeakPolarHBondContact OD1-CB 3.41Å; D789-T874 PolarHBondContact OD1-N 2.87Å; D789-T874 PolarHBondContact OD1-OG1 3.41Å; K791-T874 HydrophobicContact CD-CG2 4.34Å; K791-T874 WeakPolarHBondContact CD-OG1 3.36Å; K791-T874 PolarHBondContact NZ-OG1 2.94Å; T874-N876 VanDerWaalsContact C-N 3.28Å; T874-N876 PolarHBondContact O-N 2.78Å; T874-Y877 HydrophobicContact CG2-CD2 3.89Å; T874-Y877 HydrophobicContact CG2-CE2 4.08Å; T874-Y877 PolarHBondContact O-N 3.38Å; T874-I878 PolarHBondContact O-N 3.29Å
875	P	78.5	Confident	73.9	Confident	38 Å²	38	44.8 Å²	44.8	25%	0.247	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.9	-165.3	-30.4	36.2	0	0	0	117.7	I878 P916 T919	P875-I878 WeakPolarHBondContact O-CG2 3.31Å; P875-P916 HydrophobicContact CG-CB 4.24Å; P875-T919 HydrophobicContact CB-CG2 4.08Å; P875-T919 VanDerWaalsContact O-CG2 3.24Å; P875-T919 WeakPolarHBondContact O-CG2 3.38Å
876	N	86.9	Confident	74.9	Confident	34 Å²	34	46 Å²	46	18%	0.182	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-30.7	178.9	-65.5	-15.4	0	0	0	112.6	T874 V899 P909 T919	T874-N876 VanDerWaalsContact C-N 3.28Å; T874-N876 PolarHBondContact O-N 2.78Å; N876-V899 WeakPolarHBondContact O-CG1 3.26Å; N876-P909 HydrophobicContact CB-CB 4.19Å; N876-P909 HydrophobicContact CB-CG 4.04Å; N876-T919 WeakPolarHBondContact OD1-CG2 3.16Å
877	Y	94.1	Very high	75.6	Confident	10 Å²	10	43.8 Å²	43.8	4%	0.039	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-6.9	-170.6	-47.9	-80.1	0	0	0	113.9	I790 K791 P792 T874 S896 V899 I900 E903	I790-Y877 WeakPolarHBondContact O-CB 3.36Å; K791-Y877 HydrophobicContact CB-CD1 4.4Å; K791-Y877 HydrophobicContact CB-CD2 3.49Å; K791-Y877 VanDerWaalsContact CB-CD2 3.49Å; K791-Y877 HydrophobicContact CB-CE2 3.64Å; K791-Y877 HydrophobicContact CB-CG 3.9Å; P792-Y877 VanDerWaalsContact CD-CZ 3.43Å; P792-Y877 WeakPolarHBondContact CD-OH 3.29Å; P792-Y877 HydrophobicContact CG-CE1 4.3Å; T874-Y877 HydrophobicContact CG2-CD2 3.89Å; T874-Y877 HydrophobicContact CG2-CE2 4.08Å; T874-Y877 PolarHBondContact O-N 3.38Å; Y877-S896 PolarHBondContact O-OG 3.22Å; Y877-V899 HydrophobicContact CD1-CB 4.13Å; Y877-V899 HydrophobicContact CD1-CG1 3.44Å; Y877-V899 VanDerWaalsContact CD1-CG1 3.44Å; Y877-V899 HydrophobicContact CE1-CG1 3.94Å; Y877-V899 HydrophobicContact CG-CG1 4.31Å; Y877-I900 HydrophobicContact CD1-CG1 4.04Å; Y877-I900 HydrophobicContact CE1-CG1 4.16Å; Y877-E903 VanDerWaalsContact CE1-OE2 3.32Å; Y877-E903 WeakPolarHBondContact CE1-OE2 3.44Å; Y877-E903 PolarHBondContact OH-OE1 2.89Å; Y877-E903 PolarHBondContact OH-OE2 3.28Å; Y877-E903 VanDerWaalsContact OH-OE2 3.12Å
878	I	91.9	Very high	76.7	Confident	10 Å²	10	42.5 Å²	42.5	5%	0.051	22%	0.219	C	C	.	.			trans	-70.1	139.3	-177.9	-163.7	166.5	0	0	0	111.5	L871 V872 T874 P875 V882 L883 W895 V923	L871-I878 HydrophobicContact CD1-CD1 4.09Å; V872-I878 WeakPolarHBondContact O-CD1 3.02Å; T874-I878 PolarHBondContact O-N 3.29Å; P875-I878 WeakPolarHBondContact O-CG2 3.31Å; I878-V882 HydrophobicContact CD1-CB 4.27Å; I878-V882 HydrophobicContact CD1-CG1 3.82Å; I878-V882 HydrophobicContact CG1-CB 3.9Å; I878-V882 HydrophobicContact CG1-CG1 3.92Å; I878-V882 HydrophobicContact CG1-CG2 4.44Å; I878-L883 HydrophobicContact CD1-CD2 3.77Å; I878-L883 HydrophobicContact CD1-CG 4.44Å; I878-L883 HydrophobicContact CG1-CD2 4.32Å; I878-L883 HydrophobicContact CG2-CD1 4.06Å; I878-L883 HydrophobicContact CG2-CD2 3.87Å; I878-L883 HydrophobicContact CG2-CG 3.98Å; I878-W895 PolarHBondContact O-NE1 2.88Å; I878-V923 VanDerWaalsContact O-CG1 3.31Å; I878-V923 WeakPolarHBondContact O-CG1 3.39Å
879	A	93.4	Very high	78.4	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.008	22%	0.222	C	C	.	.			trans	-80.8	147.2	179.8	0	0	0	0	0	112.6	E881 V882 L883 C892 W895	A879-E881 VanDerWaalsContact C-N 3.3Å; A879-E881 VanDerWaalsContact CB-OE1 3.24Å; A879-E881 WeakPolarHBondContact CB-OE1 3.4Å; A879-E881 PolarHBondContact O-N 3.09Å; A879-V882 HydrophobicContact CB-CG2 4.15Å; A879-V882 VanDerWaalsContact O-CB 3.31Å; A879-V882 WeakPolarHBondContact O-CB 3.4Å; A879-V882 PolarHBondContact O-N 3.45Å; A879-L883 PolarHBondContact O-N 3.2Å; A879-C892 HydrophobicContact CB-CB 3.73Å; A879-W895 VanDerWaalsContact CA-CD1 3.5Å; A879-W895 HydrophobicContact CB-CB 3.67Å; A879-W895 HydrophobicContact CB-CD2 4.23Å; A879-W895 HydrophobicContact CB-CG 3.64Å
880	P	93.1	Very high	80.1	Confident	6 Å²	6	41.5 Å²	41.5	4%	0.039	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-34.1	-174.9	21.7	-32.8	0	0	0	113.4	V882 L883 L884 W895 V923	P880-V882 PolarHBondContact O-N 3.27Å; P880-L883 PolarHBondContact O-N 2.64Å; P880-L884 WeakPolarHBondContact O-CB 3.45Å; P880-L884 VanDerWaalsContact O-CG 3.23Å; P880-L884 WeakPolarHBondContact O-CG 3.39Å; P880-L884 PolarHBondContact O-N 3.46Å; P880-W895 HydrophobicContact CG-CE3 4.18Å; P880-W895 HydrophobicContact CG-CH2 3.86Å; P880-W895 HydrophobicContact CG-CZ2 4.27Å; P880-W895 HydrophobicContact CG-CZ3 3.79Å; P880-V923 HydrophobicContact CB-CG1 4.24Å
881	E	90.6	Very high	81.9	Confident	20 Å²	20	39.7 Å²	39.7	9%	0.093	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-25.6	176.4	67	-82.6	-174	0	0	113.8	A879 R885 C892 A953 R956	A879-E881 VanDerWaalsContact C-N 3.3Å; A879-E881 VanDerWaalsContact CB-OE1 3.24Å; A879-E881 WeakPolarHBondContact CB-OE1 3.4Å; A879-E881 PolarHBondContact O-N 3.09Å; E881-R885 PolarHBondContact O-N 3.03Å; E881-C892 WeakPolarHBondContact OE1-CA 3.36Å; E881-A953 HydrophobicContact CG-CB 4.35Å; E881-R956 IonicContact OE1-CZ 2.68Å; E881-R956 IonicContact OE1-NH1 3.86Å; E881-R956 PolarHBondContact OE1-NH1 3.29Å; E881-R956 IonicContact OE1-NH2 3.14Å; E881-R956 PolarHBondContact OE1-NH2 2.83Å; E881-R956 IonicContact OE2-CZ 3.82Å; E881-R956 IonicContact OE2-NH1 2.85Å; E881-R956 IonicContact OE2-NH2 2.66Å; E881-R956 PolarHBondContact OE2-NH2 3.25Å
882	V	87.3	Confident	83.3	Confident	6 Å²	6	36.1 Å²	36.1	4%	0.036	18%	0.182	C	C	.	.	H	α-helix	trans	-72	-45.9	173.8	-174.6	0	0	0	0	109.9	L871 I878 A879 P880 R885 Y888 C892	L871-V882 HydrophobicContact CD1-CG1 4.41Å; I878-V882 HydrophobicContact CD1-CB 4.27Å; I878-V882 HydrophobicContact CD1-CG1 3.82Å; I878-V882 HydrophobicContact CG1-CB 3.9Å; I878-V882 HydrophobicContact CG1-CG1 3.92Å; I878-V882 HydrophobicContact CG1-CG2 4.44Å; A879-V882 HydrophobicContact CB-CG2 4.15Å; A879-V882 VanDerWaalsContact O-CB 3.31Å; A879-V882 WeakPolarHBondContact O-CB 3.4Å; A879-V882 PolarHBondContact O-N 3.45Å; P880-V882 PolarHBondContact O-N 3.27Å; V882-R885 PolarHBondContact O-N 3.29Å; V882-Y888 HydrophobicContact CB-CD1 4.06Å; V882-Y888 HydrophobicContact CB-CE1 4.19Å; V882-Y888 HydrophobicContact CG1-CD1 4.11Å; V882-Y888 HydrophobicContact CG1-CE1 3.72Å; V882-Y888 HydrophobicContact CG2-CD1 3.75Å; V882-Y888 HydrophobicContact CG2-CD2 3.98Å; V882-Y888 HydrophobicContact CG2-CE1 4.06Å; V882-Y888 HydrophobicContact CG2-CE2 4.26Å; V882-Y888 HydrophobicContact CG2-CG 3.72Å; V882-C892 HydrophobicContact CG2-CB 3.84Å
883	L	85.3	Confident	84.9	Confident	18 Å²	18	35 Å²	35	9%	0.094	18%	0.175	C	C	.	.	H	α-helix	trans	-62.1	-43.7	175.7	-64.5	-177.7	0	0	0	112	L871 I878 A879 P880 R885 Q920 V923 I924	L871-L883 HydrophobicContact CD1-CD2 3.86Å; I878-L883 HydrophobicContact CD1-CD2 3.77Å; I878-L883 HydrophobicContact CD1-CG 4.44Å; I878-L883 HydrophobicContact CG1-CD2 4.32Å; I878-L883 HydrophobicContact CG2-CD1 4.06Å; I878-L883 HydrophobicContact CG2-CD2 3.87Å; I878-L883 HydrophobicContact CG2-CG 3.98Å; A879-L883 PolarHBondContact O-N 3.2Å; P880-L883 PolarHBondContact O-N 2.64Å; L883-R885 PolarHBondContact O-N 2.77Å; L883-Q920 HydrophobicContact CD1-CB 4.03Å; L883-Q920 HydrophobicContact CD1-CG 4.03Å; L883-Q920 HydrophobicContact CD2-CG 3.84Å; L883-V923 HydrophobicContact CD1-CB 3.79Å; L883-V923 HydrophobicContact CD1-CG1 3.55Å; L883-I924 HydrophobicContact CB-CD1 4.22Å; L883-I924 HydrophobicContact CB-CG1 4.08Å; L883-I924 HydrophobicContact CD1-CD1 4.33Å; L883-I924 HydrophobicContact CD1-CG1 3.91Å
884	L	83.8	Confident	86.7	Confident	77 Å²	77	34.1 Å²	34.1	40%	0.403	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-6.5	179.6	-67.4	170.7	0	0	0	113.8	P880 K886 I924	P880-L884 WeakPolarHBondContact O-CB 3.45Å; P880-L884 VanDerWaalsContact O-CG 3.23Å; P880-L884 WeakPolarHBondContact O-CG 3.39Å; P880-L884 PolarHBondContact O-N 3.46Å; L884-K886 HydrophobicContact CB-CD 4.29Å; L884-K886 HydrophobicContact CB-CG 4.12Å; L884-K886 PolarHBondContact O-N 2.81Å; L884-I924 HydrophobicContact CD2-CG1 4.48Å; L884-I924 HydrophobicContact CD2-CG2 4.27Å
885	R	77.6	Confident	87.8	Confident	165 Å²	165	32.2 Å²	32.2	62%	0.623	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	16.4	177.2	-52.1	-175.1	-176	-172.9	0.5	115.8	E881 V882 L883 G887	E881-R885 PolarHBondContact O-N 3.03Å; V882-R885 PolarHBondContact O-N 3.29Å; L883-R885 PolarHBondContact O-N 2.77Å; R885-G887 PolarHBondContact O-N 3.37Å
886	K	71.6	Confident	88.7	Confident	158 Å²	158	30.7 Å²	30.7	69%	0.687	14%	0.143	S	C	*	.	S	Bend	trans	-63.5	-11	-179.6	-68.1	179	178.2	177.9	0	113.5	L884	L884-K886 HydrophobicContact CB-CD 4.29Å; L884-K886 HydrophobicContact CB-CG 4.12Å; L884-K886 PolarHBondContact O-N 2.81Å
887	G	72.6	Confident	89.2	Confident	9 Å²	9	29 Å²	29	9%	0.093	14%	0.135	C	C	.	.			trans	95	139.2	-163.3	0	0	0	0	0	109.1	A868 R885	A868-G887 WeakPolarHBondContact O-CA 3.48Å; R885-G887 PolarHBondContact O-N 3.37Å
888	Y	80	Confident	89.4	Confident	4 Å²	4	28.6 Å²	28.6	2%	0.016	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-140.8	149.6	-179	59.7	-93	0	0	0	112	R788 L867 A868 S870 V882 C892	R788-Y888 VanDerWaalsContact CD-CE2 3.48Å; R788-Y888 VanDerWaalsContact CD-OH 3.25Å; R788-Y888 WeakPolarHBondContact CD-OH 3.4Å; R788-Y888 HydrophobicContact CG-CE2 4.1Å; R788-Y888 PolarHBondContact NH1-OH 2.89Å; L867-Y888 WeakPolarHBondContact CA-O 3.25Å; A868-Y888 HydrophobicContact CB-CD2 4.08Å; A868-Y888 HydrophobicContact CB-CE1 4.12Å; A868-Y888 HydrophobicContact CB-CE2 3.51Å; A868-Y888 PolarHBondContact N-O 3.46Å; A868-Y888 WeakPolarHBondContact O-CD1 3.5Å; A868-Y888 WeakPolarHBondContact O-CE1 3.28Å; A868-Y888 PolarHBondContact O-N 3Å; S870-Y888 WeakPolarHBondContact O-CE1 3.5Å; S870-Y888 PolarHBondContact O-OH 3.47Å; V882-Y888 HydrophobicContact CB-CD1 4.06Å; V882-Y888 HydrophobicContact CB-CE1 4.19Å; V882-Y888 HydrophobicContact CG1-CD1 4.11Å; V882-Y888 HydrophobicContact CG1-CE1 3.72Å; V882-Y888 HydrophobicContact CG2-CD1 3.75Å; V882-Y888 HydrophobicContact CG2-CD2 3.98Å; V882-Y888 HydrophobicContact CG2-CE1 4.06Å; V882-Y888 HydrophobicContact CG2-CE2 4.26Å; V882-Y888 HydrophobicContact CG2-CG 3.72Å; Y888-C892 HydrophobicContact CD2-CB 4.29Å
889	T	87.9	Confident	89.7	Confident	21 Å²	21	28.1 Å²	28.1	13%	0.129	13%	0.13	C	C	.	.			trans	-102.6	-169.7	178.9	60.8	0	0	0	0	110.6	L867 L891 C892	L867-T889 HydrophobicContact CD2-CG2 3.7Å; T889-L891 PolarHBondContact O-N 2.99Å; T889-L891 WeakPolarHBondContact OG1-CG 3.44Å; T889-C892 PolarHBondContact O-N 3.28Å; T889-C892 PolarHBondContact O-SG 2.73Å
890	Q	90.9	Very high	89.9	Confident	78 Å²	78	28 Å²	28	36%	0.364	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-13.4	175.2	78.3	-165.5	73	0	0	114.8	H781 I786 C892 D893	H781-Q890 PolarHBondContact CE1-O 3.2Å; H781-Q890 VanDerWaalsContact CE1-O 3.27Å; H781-Q890 PolarHBondContact ND1-NE2 3.09Å; I786-Q890 HydrophobicContact CD1-CB 4.29Å; I786-Q890 HydrophobicContact CG1-CB 3.9Å; Q890-C892 PolarHBondContact O-N 3.34Å; Q890-D893 PolarHBondContact O-N 3.42Å
891	L	93.1	Very high	90.2	Very high	17 Å²	17	27.8 Å²	27.8	9%	0.089	13%	0.128	C	C	.	.	H	α-helix	trans	-67.7	-15.4	-179.8	-54.7	-178.6	0	0	0	113.4	T889 D893 W894 W895 A953 R956 G958 R959	T889-L891 PolarHBondContact O-N 2.99Å; T889-L891 WeakPolarHBondContact OG1-CG 3.44Å; L891-D893 VanDerWaalsContact C-N 3.26Å; L891-D893 PolarHBondContact O-N 3.06Å; L891-W894 PolarHBondContact O-N 3.34Å; L891-W895 PolarHBondContact O-N 2.99Å; L891-A953 WeakPolarHBondContact CD1-O 3.42Å; L891-R956 PolarHBondContact O-NH1 3.04Å; L891-G958 VanDerWaalsContact CD2-O 3.24Å; L891-G958 WeakPolarHBondContact CD2-O 3.38Å; L891-R959 HydrophobicContact CD1-CB 4.32Å; L891-R959 HydrophobicContact CD1-CG 4.4Å
892	C	94	Very high	90.5	Very high	3 Å²	3	27 Å²	27	2%	0.02	13%	0.125	C	C	.	.	H	α-helix	trans	-66.1	-28.9	173.6	63.2	0	0	0	0	112.5	A879 E881 V882 Y888 T889 Q890 W894 W895 S896	A879-C892 HydrophobicContact CB-CB 3.73Å; E881-C892 WeakPolarHBondContact OE1-CA 3.36Å; V882-C892 HydrophobicContact CG2-CB 3.84Å; Y888-C892 HydrophobicContact CD2-CB 4.29Å; T889-C892 PolarHBondContact O-N 3.28Å; T889-C892 PolarHBondContact O-SG 2.73Å; Q890-C892 PolarHBondContact O-N 3.34Å; C892-W894 VanDerWaalsContact C-N 3.34Å; C892-W895 WeakPolarHBondContact O-CB 3.45Å; C892-W895 PolarHBondContact O-N 3.36Å; C892-S896 PolarHBondContact O-N 3.23Å; C892-S896 PolarHBondContact O-OG 3.48Å
893	D	95.9	Very high	90.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-68.1	-35.4	175.2	-63.9	-26.7	0	0	0	111	I777 H781 I786 H787 R788 I790 Q890 L891 W895 S896 V897	I777-D893 HydrophobicContact CG2-CB 4Å; H781-D893 IonicContact CD2-OD2 3.24Å; H781-D893 IonicContact CE1-OD2 3.69Å; H781-D893 IonicContact NE2-OD2 3.92Å; H781-D893 PolarHBondContact NE2-OD2 2.74Å; I786-D893 WeakPolarHBondContact CG2-OD2 3.37Å; H787-D893 PolarHBondContact N-OD1 2.73Å; H787-D893 PolarHBondContact N-OD2 3.15Å; R788-D893 PolarHBondContact N-OD1 2.81Å; I790-D893 HydrophobicContact CG1-CB 4.26Å; Q890-D893 PolarHBondContact O-N 3.42Å; L891-D893 VanDerWaalsContact C-N 3.26Å; L891-D893 PolarHBondContact O-N 3.06Å; D893-W895 VanDerWaalsContact C-N 3.33Å; D893-W895 PolarHBondContact O-N 2.77Å; D893-S896 WeakPolarHBondContact O-CB 3.4Å; D893-S896 PolarHBondContact O-N 3.06Å; D893-V897 PolarHBondContact O-N 3.33Å; D893-V897 VanDerWaalsContact O-N 3.09Å
894	W	97.3	Very high	91.5	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.008	12%	0.122	C	C	.	.	H	α-helix	trans	-68	-29.4	176.3	-61.3	139.6	0	0	0	113.6	T774 I777 H781 L891 C892 V897 G898 L949 A962 L965	T774-W894 HydrophobicContact CG2-CH2 4.2Å; T774-W894 HydrophobicContact CG2-CZ3 4.27Å; I777-W894 HydrophobicContact CB-CH2 3.87Å; I777-W894 HydrophobicContact CB-CZ3 3.81Å; I777-W894 HydrophobicContact CD1-CZ3 4.23Å; I777-W894 HydrophobicContact CG2-CE3 4.13Å; I777-W894 HydrophobicContact CG2-CH2 3.57Å; I777-W894 HydrophobicContact CG2-CZ2 4.04Å; I777-W894 HydrophobicContact CG2-CZ3 3.62Å; H781-W894 AromaticContact ND1-CZ2 4Å; L891-W894 PolarHBondContact O-N 3.34Å; C892-W894 VanDerWaalsContact C-N 3.34Å; W894-V897 HydrophobicContact CE3-CG2 3.94Å; W894-V897 HydrophobicContact CZ3-CG2 4.33Å; W894-V897 PolarHBondContact O-N 3.11Å; W894-G898 PolarHBondContact O-N 2.98Å; W894-L949 HydrophobicContact CB-CD2 4.16Å; W894-A962 HydrophobicContact CH2-CB 3.95Å; W894-A962 HydrophobicContact CZ2-CB 3.8Å; W894-L965 HydrophobicContact CD2-CD1 4.18Å; W894-L965 HydrophobicContact CD2-CD2 4.04Å; W894-L965 HydrophobicContact CE3-CD1 4.48Å; W894-L965 HydrophobicContact CE3-CD2 3.55Å; W894-L965 HydrophobicContact CG-CD1 4.47Å; W894-L965 HydrophobicContact CH2-CD2 4.49Å; W894-L965 HydrophobicContact CZ3-CD2 3.82Å
895	W	97.4	Very high	92.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.1	-47.2	169.3	172.5	-82.7	0	0	0	110.6	I878 A879 P880 L891 C892 D893 V897 G898 V899 F911 V923 W926 C950 C951	I878-W895 PolarHBondContact O-NE1 2.88Å; A879-W895 VanDerWaalsContact CA-CD1 3.5Å; A879-W895 HydrophobicContact CB-CB 3.67Å; A879-W895 HydrophobicContact CB-CD2 4.23Å; A879-W895 HydrophobicContact CB-CG 3.64Å; P880-W895 HydrophobicContact CG-CE3 4.18Å; P880-W895 HydrophobicContact CG-CH2 3.86Å; P880-W895 HydrophobicContact CG-CZ2 4.27Å; P880-W895 HydrophobicContact CG-CZ3 3.79Å; L891-W895 PolarHBondContact O-N 2.99Å; C892-W895 WeakPolarHBondContact O-CB 3.45Å; C892-W895 PolarHBondContact O-N 3.36Å; D893-W895 VanDerWaalsContact C-N 3.33Å; D893-W895 PolarHBondContact O-N 2.77Å; W895-V897 VanDerWaalsContact C-N 3.28Å; W895-V897 PolarHBondContact O-N 3.35Å; W895-G898 WeakPolarHBondContact O-CA 3.36Å; W895-G898 PolarHBondContact O-N 3.39Å; W895-V899 WeakPolarHBondContact O-CG2 3.41Å; W895-V899 PolarHBondContact O-N 2.99Å; W895-F911 HydrophobicContact CH2-CE2 4.19Å; W895-F911 HydrophobicContact CH2-CZ 4.02Å; W895-F911 HydrophobicContact CZ2-CD2 4.33Å; W895-F911 AromaticContact CZ2-CE2 3.41Å; W895-F911 HydrophobicContact CZ2-CE2 3.41Å; W895-F911 VanDerWaalsContact CZ2-CE2 3.41Å; W895-F911 AromaticContact CZ2-CZ 3.7Å; W895-F911 HydrophobicContact CZ2-CZ 3.7Å; W895-V923 HydrophobicContact CZ2-CG1 4.11Å; W895-W926 HydrophobicContact CH2-CB 3.64Å; W895-W926 HydrophobicContact CH2-CD2 4.13Å; W895-W926 AromaticContact CH2-CG 3.62Å; W895-W926 HydrophobicContact CH2-CG 3.62Å; W895-W926 HydrophobicContact CZ2-CB 4.39Å; W895-W926 HydrophobicContact CZ3-CD2 4.27Å; W895-W926 HydrophobicContact CZ3-CG 4.18Å; W895-C950 HydrophobicContact CE3-CB 4.41Å; W895-C950 HydrophobicContact CH2-CB 4.41Å; W895-C950 HydrophobicContact CZ3-CB 4.24Å; W895-C951 WeakPolarHBondContact CZ3-O 3.44Å
896	S	97.6	Very high	92.9	Very high	5 Å²	5	16.3 Å²	16.3	4%	0.035	8%	0.08	C	C	.	.	H	α-helix	trans	-60.2	-36.5	178.1	-50.7	0	0	0	0	112.2	I790 Y877 C892 D893 G898 V899 I900	I790-S896 WeakPolarHBondContact O-CB 3.33Å; Y877-S896 PolarHBondContact O-OG 3.22Å; C892-S896 PolarHBondContact O-N 3.23Å; C892-S896 PolarHBondContact O-OG 3.48Å; D893-S896 WeakPolarHBondContact O-CB 3.4Å; D893-S896 PolarHBondContact O-N 3.06Å; S896-G898 VanDerWaalsContact C-N 3.34Å; S896-G898 PolarHBondContact O-N 3.49Å; S896-V899 PolarHBondContact O-N 3.21Å; S896-I900 VanDerWaalsContact O-CG1 3.29Å; S896-I900 WeakPolarHBondContact O-CG1 3.36Å; S896-I900 PolarHBondContact O-N 3.45Å
897	V	98.1	Very high	93.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60	-41.6	171.2	178.4	0	0	0	0	111.9	I770 L773 I777 D893 W894 W895 I900 L901 L949	I770-V897 HydrophobicContact CD1-CG1 4.11Å; I770-V897 HydrophobicContact CG2-CG1 3.78Å; L773-V897 HydrophobicContact CD2-CG1 4.38Å; L773-V897 HydrophobicContact CD2-CG2 3.93Å; L773-V897 HydrophobicContact CG-CG2 4.11Å; I777-V897 HydrophobicContact CD1-CG2 3.3Å; D893-V897 PolarHBondContact O-N 3.33Å; D893-V897 VanDerWaalsContact O-N 3.09Å; W894-V897 HydrophobicContact CE3-CG2 3.94Å; W894-V897 HydrophobicContact CZ3-CG2 4.33Å; W894-V897 PolarHBondContact O-N 3.11Å; W895-V897 VanDerWaalsContact C-N 3.28Å; W895-V897 PolarHBondContact O-N 3.35Å; V897-I900 PolarHBondContact O-N 2.89Å; V897-L901 WeakPolarHBondContact O-CB 3.39Å; V897-L901 PolarHBondContact O-N 3.43Å; V897-L949 HydrophobicContact CG1-CD1 4.15Å
898	G	97.9	Very high	94.6	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.7	-39.3	175.4	0	0	0	0	0	113.3	W894 W895 S896 L901 F902	W894-G898 PolarHBondContact O-N 2.98Å; W895-G898 WeakPolarHBondContact O-CA 3.36Å; W895-G898 PolarHBondContact O-N 3.39Å; S896-G898 VanDerWaalsContact C-N 3.34Å; S896-G898 PolarHBondContact O-N 3.49Å; G898-L901 PolarHBondContact O-N 3.27Å; G898-F902 PolarHBondContact O-N 3.22Å
899	V	98.1	Very high	95.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.7	-45.3	174.8	178	0	0	0	0	110.7	N876 Y877 W895 S896 F902 E903 P909 P910 F911	N876-V899 WeakPolarHBondContact O-CG1 3.26Å; Y877-V899 HydrophobicContact CD1-CB 4.13Å; Y877-V899 HydrophobicContact CD1-CG1 3.44Å; Y877-V899 VanDerWaalsContact CD1-CG1 3.44Å; Y877-V899 HydrophobicContact CE1-CG1 3.94Å; Y877-V899 HydrophobicContact CG-CG1 4.31Å; W895-V899 WeakPolarHBondContact O-CG2 3.41Å; W895-V899 PolarHBondContact O-N 2.99Å; S896-V899 PolarHBondContact O-N 3.21Å; V899-F902 PolarHBondContact O-N 3.29Å; V899-E903 WeakPolarHBondContact O-CB 3.16Å; V899-E903 PolarHBondContact O-N 3.23Å; V899-P909 HydrophobicContact CG1-CB 4.05Å; V899-P910 HydrophobicContact CG1-CG 4.3Å; V899-P910 HydrophobicContact CG2-CG 4.5Å; V899-F911 HydrophobicContact CG2-CE2 4.29Å
900	I	98.1	Very high	95.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.4	-39.9	178	-66.3	168.4	0	0	0	111.2	I770 L773 I790 P792 I795 Y877 S896 V897 F902 E903 M904	I770-I900 HydrophobicContact CD1-CG2 4.08Å; L773-I900 HydrophobicContact CD2-CD1 4.2Å; I790-I900 HydrophobicContact CG2-CD1 3.62Å; P792-I900 HydrophobicContact CG-CG1 4.41Å; I795-I900 HydrophobicContact CD1-CD1 3.96Å; Y877-I900 HydrophobicContact CD1-CG1 4.04Å; Y877-I900 HydrophobicContact CE1-CG1 4.16Å; S896-I900 VanDerWaalsContact O-CG1 3.29Å; S896-I900 WeakPolarHBondContact O-CG1 3.36Å; S896-I900 PolarHBondContact O-N 3.45Å; V897-I900 PolarHBondContact O-N 2.89Å; I900-F902 VanDerWaalsContact C-N 3.34Å; I900-F902 PolarHBondContact O-N 2.79Å; I900-E903 PolarHBondContact O-N 2.83Å; I900-M904 HydrophobicContact CG2-CE 3.66Å; I900-M904 HydrophobicContact CG2-CG 4.3Å; I900-M904 HydrophobicContact CG2-SD 4.11Å; I900-M904 WeakPolarHBondContact O-CB 3.45Å; I900-M904 VanDerWaalsContact O-CG 3.31Å; I900-M904 WeakPolarHBondContact O-CG 3.27Å; I900-M904 PolarHBondContact O-N 3.5Å
901	L	98.4	Very high	95.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.6	-40.1	174.5	173.9	63.1	0	0	0	111.8	A766 I770 V897 G898 L905 L945 I946 F970	A766-L901 HydrophobicContact CB-CD1 4.43Å; I770-L901 HydrophobicContact CD1-CB 4.07Å; I770-L901 HydrophobicContact CG1-CB 4.15Å; I770-L901 HydrophobicContact CG1-CD1 4.06Å; V897-L901 WeakPolarHBondContact O-CB 3.39Å; V897-L901 PolarHBondContact O-N 3.43Å; G898-L901 PolarHBondContact O-N 3.27Å; L901-L905 HydrophobicContact CD1-CD1 3.6Å; L901-L905 HydrophobicContact CD1-CG 4.14Å; L901-L905 HydrophobicContact CG-CD1 4.18Å; L901-L905 WeakPolarHBondContact O-CB 3.36Å; L901-L905 VanDerWaalsContact O-CG 3.27Å; L901-L905 WeakPolarHBondContact O-CG 3.38Å; L901-L905 PolarHBondContact O-N 3.17Å; L901-L945 HydrophobicContact CD2-CB 4.07Å; L901-L945 HydrophobicContact CD2-CD2 3.58Å; L901-L945 HydrophobicContact CD2-CG 3.69Å; L901-I946 HydrophobicContact CB-CG1 4.41Å; L901-I946 HydrophobicContact CD2-CG1 3.74Å; L901-I946 HydrophobicContact CG-CD1 4.27Å; L901-I946 HydrophobicContact CG-CG1 3.79Å; L901-F970 HydrophobicContact CD1-CE1 4.27Å; L901-F970 HydrophobicContact CD1-CE2 4.41Å; L901-F970 HydrophobicContact CD1-CZ 3.76Å
902	F	97.8	Very high	95.5	Very high	5 Å²	5	14.1 Å²	14.1	2%	0.022	8%	0.083	C	C	.	.	H	α-helix	trans	-62.9	-48	172.2	-177.5	-70.9	0	0	0	110.6	G898 V899 I900 L905 V906 Q908 P910 L930 I932 I946	G898-F902 PolarHBondContact O-N 3.22Å; V899-F902 PolarHBondContact O-N 3.29Å; I900-F902 VanDerWaalsContact C-N 3.34Å; I900-F902 PolarHBondContact O-N 2.79Å; F902-L905 CarbonylContact O-C 3.55Å; F902-L905 PolarHBondContact O-N 3.15Å; F902-L905 VanDerWaalsContact O-N 3.1Å; F902-V906 HydrophobicContact CD1-CB 3.79Å; F902-V906 HydrophobicContact CD1-CG1 4.26Å; F902-V906 HydrophobicContact CD1-CG2 3.86Å; F902-V906 HydrophobicContact CD2-CG2 4.33Å; F902-V906 HydrophobicContact CE1-CB 3.59Å; F902-V906 HydrophobicContact CE1-CG1 3.53Å; F902-V906 HydrophobicContact CE1-CG2 3.77Å; F902-V906 HydrophobicContact CE2-CG2 4.25Å; F902-V906 HydrophobicContact CG-CG2 4.15Å; F902-V906 HydrophobicContact CZ-CB 4.21Å; F902-V906 HydrophobicContact CZ-CG1 3.93Å; F902-V906 HydrophobicContact CZ-CG2 3.98Å; F902-V906 VanDerWaalsContact O-CB 3.25Å; F902-V906 WeakPolarHBondContact O-CB 3.46Å; F902-V906 WeakPolarHBondContact O-CG2 3.31Å; F902-V906 PolarHBondContact O-N 3.08Å; F902-Q908 VanDerWaalsContact CD1-O 3.28Å; F902-Q908 WeakPolarHBondContact CD1-O 3.04Å; F902-Q908 WeakPolarHBondContact CE1-O 3.36Å; F902-P910 HydrophobicContact CB-CG 4.18Å; F902-P910 HydrophobicContact CD1-CB 3.83Å; F902-P910 VanDerWaalsContact CD1-CD 3.42Å; F902-P910 HydrophobicContact CD1-CG 4.01Å; F902-P910 HydrophobicContact CD2-CB 3.9Å; F902-P910 HydrophobicContact CD2-CG 4.27Å; F902-P910 HydrophobicContact CE1-CB 3.77Å; F902-P910 HydrophobicContact CE1-CG 4.43Å; F902-P910 HydrophobicContact CE2-CB 3.83Å; F902-P910 HydrophobicContact CG-CB 3.9Å; F902-P910 HydrophobicContact CG-CG 3.92Å; F902-P910 HydrophobicContact CZ-CB 3.77Å; F902-L930 HydrophobicContact CD2-CD1 4.21Å; F902-L930 HydrophobicContact CE2-CD1 4.21Å; F902-I932 HydrophobicContact CD2-CG1 4.17Å; F902-I932 HydrophobicContact CE2-CB 4.48Å; F902-I932 HydrophobicContact CE2-CG1 3.82Å; F902-I946 HydrophobicContact CB-CD1 4.13Å; F902-I946 HydrophobicContact CB-CG1 4.49Å; F902-I946 HydrophobicContact CB-CG2 4.38Å; F902-I946 HydrophobicContact CD2-CD1 4.4Å; F902-I946 HydrophobicContact CD2-CG2 4.1Å
903	E	96.1	Very high	95.2	Very high	12 Å²	12	14.8 Å²	14.8	6%	0.056	9%	0.089	C	C	.	.	H	α-helix	trans	-61	-46.8	-179	-176.3	172.4	-131.7	0	0	112.4	L755 P792 Y877 V899 I900 L905 V906 G907 P909	L755-E903 HydrophobicContact CD1-CG 4.3Å; P792-E903 VanDerWaalsContact CG-OE2 3.32Å; P792-E903 WeakPolarHBondContact CG-OE2 3.47Å; Y877-E903 VanDerWaalsContact CE1-OE2 3.32Å; Y877-E903 WeakPolarHBondContact CE1-OE2 3.44Å; Y877-E903 PolarHBondContact OH-OE1 2.89Å; Y877-E903 PolarHBondContact OH-OE2 3.28Å; Y877-E903 VanDerWaalsContact OH-OE2 3.12Å; V899-E903 WeakPolarHBondContact O-CB 3.16Å; V899-E903 PolarHBondContact O-N 3.23Å; I900-E903 PolarHBondContact O-N 2.83Å; E903-L905 PolarHBondContact O-N 3Å; E903-V906 PolarHBondContact O-N 3.22Å; E903-G907 WeakPolarHBondContact O-CA 3.43Å; E903-G907 PolarHBondContact O-N 3.16Å; E903-P909 VanDerWaalsContact OE1-CD 3.26Å; E903-P909 WeakPolarHBondContact OE1-CD 3.37Å
904	M	97.1	Very high	94.7	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-53.4	-36.8	172.3	-76.2	175.8	175.5	0	0	112.7	M751 L755 F761 A766 I770 I900	M751-M904 HydrophobicContact CE-CE 4.42Å; M751-M904 HydrophobicContact CG-CE 4.03Å; M751-M904 HydrophobicContact SD-CE 3.93Å; L755-M904 HydrophobicContact CD2-CB 4.42Å; L755-M904 HydrophobicContact CD2-CG 3.96Å; F761-M904 HydrophobicContact CB-CB 4.27Å; F761-M904 WeakPolarHBondContact CB-O 3.31Å; F761-M904 HydrophobicContact CD2-CB 4.09Å; F761-M904 HydrophobicContact CD2-CE 4.32Å; F761-M904 HydrophobicContact CD2-CG 3.69Å; F761-M904 HydrophobicContact CD2-SD 4.03Å; F761-M904 HydrophobicContact CE2-CE 3.96Å; F761-M904 HydrophobicContact CE2-CG 4Å; F761-M904 HydrophobicContact CE2-SD 4.27Å; F761-M904 HydrophobicContact CG-CB 4.34Å; F761-M904 HydrophobicContact CG-CG 4.34Å; F761-M904 PolarHBondContact N-O 3.21Å; A766-M904 HydrophobicContact CB-CB 4.04Å; A766-M904 HydrophobicContact CB-SD 4.12Å; I770-M904 HydrophobicContact CD1-CE 4.35Å; I770-M904 HydrophobicContact CD1-SD 3.92Å; I770-M904 HydrophobicContact CG1-SD 3.88Å; I900-M904 HydrophobicContact CG2-CE 3.66Å; I900-M904 HydrophobicContact CG2-CG 4.3Å; I900-M904 HydrophobicContact CG2-SD 4.11Å; I900-M904 WeakPolarHBondContact O-CB 3.45Å; I900-M904 VanDerWaalsContact O-CG 3.31Å; I900-M904 WeakPolarHBondContact O-CG 3.27Å; I900-M904 PolarHBondContact O-N 3.5Å
905	L	96.8	Very high	94	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.026	15%	0.145	C	C	.	.	H	α-helix	trans	-97.7	-12.7	-173	-69	-178.5	0	0	0	114.6	E763 A766 L901 F902 E903 V936 L938 I946	E763-L905 HydrophobicContact CB-CD2 4.23Å; E763-L905 HydrophobicContact CG-CD2 4.21Å; A766-L905 HydrophobicContact CB-CD2 3.8Å; A766-L905 HydrophobicContact CB-CG 4.23Å; L901-L905 HydrophobicContact CD1-CD1 3.6Å; L901-L905 HydrophobicContact CD1-CG 4.14Å; L901-L905 HydrophobicContact CG-CD1 4.18Å; L901-L905 WeakPolarHBondContact O-CB 3.36Å; L901-L905 VanDerWaalsContact O-CG 3.27Å; L901-L905 WeakPolarHBondContact O-CG 3.38Å; L901-L905 PolarHBondContact O-N 3.17Å; F902-L905 CarbonylContact O-C 3.55Å; F902-L905 PolarHBondContact O-N 3.15Å; F902-L905 VanDerWaalsContact O-N 3.1Å; E903-L905 PolarHBondContact O-N 3Å; L905-V936 WeakPolarHBondContact O-CG1 3.16Å; L905-L938 HydrophobicContact CB-CD1 4.12Å; L905-L938 HydrophobicContact CB-CD2 3.72Å; L905-L938 HydrophobicContact CD1-CD1 4.38Å; L905-L938 HydrophobicContact CD1-CD2 4.3Å; L905-L938 HydrophobicContact CD2-CD2 4.47Å; L905-L938 HydrophobicContact CG-CD2 4.4Å; L905-I946 HydrophobicContact CD1-CD1 4.4Å
906	V	94.8	Very high	93.2	Very high	21 Å²	21	27.2 Å²	27.2	13%	0.127	17%	0.169	C	C	.	.	H	α-helix	trans	-125.1	-14.8	-174.2	-178.7	0	0	0	0	112.7	F902 E903 P933 V936 L938	F902-V906 HydrophobicContact CD1-CB 3.79Å; F902-V906 HydrophobicContact CD1-CG1 4.26Å; F902-V906 HydrophobicContact CD1-CG2 3.86Å; F902-V906 HydrophobicContact CD2-CG2 4.33Å; F902-V906 HydrophobicContact CE1-CB 3.59Å; F902-V906 HydrophobicContact CE1-CG1 3.53Å; F902-V906 HydrophobicContact CE1-CG2 3.77Å; F902-V906 HydrophobicContact CE2-CG2 4.25Å; F902-V906 HydrophobicContact CG-CG2 4.15Å; F902-V906 HydrophobicContact CZ-CB 4.21Å; F902-V906 HydrophobicContact CZ-CG1 3.93Å; F902-V906 HydrophobicContact CZ-CG2 3.98Å; F902-V906 VanDerWaalsContact O-CB 3.25Å; F902-V906 WeakPolarHBondContact O-CB 3.46Å; F902-V906 WeakPolarHBondContact O-CG2 3.31Å; F902-V906 PolarHBondContact O-N 3.08Å; E903-V906 PolarHBondContact O-N 3.22Å; V906-P933 HydrophobicContact CG1-CG 4.11Å; V906-V936 HydrophobicContact CG1-CG2 4.39Å; V906-V936 HydrophobicContact CG2-CG1 4.41Å; V906-L938 HydrophobicContact CG2-CD1 4.19Å
907	G	88.8	Confident	92.7	Very high	40 Å²	40	31.4 Å²	31.4	41%	0.412	19%	0.194	S	C	.	.	S	Bend	trans	82.9	3.8	178	0	0	0	0	0	115.6	E759 E903	E759-G907 VanDerWaalsContact O-CA 3.24Å; E759-G907 WeakPolarHBondContact O-CA 3.24Å; E903-G907 WeakPolarHBondContact O-CA 3.43Å; E903-G907 PolarHBondContact O-N 3.16Å
908	Q	89.7	Confident	92.3	Very high	101 Å²	101	34.8 Å²	34.8	47%	0.472	21%	0.21	S	C	.	.	S	Bend	trans	-158.1	154.3	173.4	59	175.6	-14.7	0	0	110.4	F902 L912	F902-Q908 VanDerWaalsContact CD1-O 3.28Å; F902-Q908 WeakPolarHBondContact CD1-O 3.04Å; F902-Q908 WeakPolarHBondContact CE1-O 3.36Å; Q908-L912 HydrophobicContact CB-CD2 4.35Å
909	P	92.9	Very high	91.9	Very high	8 Å²	8	34.9 Å²	34.9	5%	0.052	21%	0.211	C	C	.	.			trans	-75.2	143.5	-179.7	27.4	-27.3	0	0	0	111.3	N876 V899 E903 F911 L912	N876-P909 HydrophobicContact CB-CB 4.19Å; N876-P909 HydrophobicContact CB-CG 4.04Å; V899-P909 HydrophobicContact CG1-CB 4.05Å; E903-P909 VanDerWaalsContact OE1-CD 3.26Å; E903-P909 WeakPolarHBondContact OE1-CD 3.37Å; P909-F911 PolarHBondContact O-N 3.24Å; P909-L912 HydrophobicContact CG-CB 4.24Å; P909-L912 HydrophobicContact CG-CD1 4.41Å; P909-L912 WeakPolarHBondContact O-CB 3.5Å; P909-L912 PolarHBondContact O-N 3.35Å; P909-L912 VanDerWaalsContact O-N 3.15Å
910	P	95	Very high	91.5	Very high	20 Å²	20	38.1 Å²	38.1	13%	0.13	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.5	-166.4	19.5	-31.6	0	0	0	115.7	V899 F902 L930	V899-P910 HydrophobicContact CG1-CG 4.3Å; V899-P910 HydrophobicContact CG2-CG 4.5Å; F902-P910 HydrophobicContact CB-CG 4.18Å; F902-P910 HydrophobicContact CD1-CB 3.83Å; F902-P910 VanDerWaalsContact CD1-CD 3.42Å; F902-P910 HydrophobicContact CD1-CG 4.01Å; F902-P910 HydrophobicContact CD2-CB 3.9Å; F902-P910 HydrophobicContact CD2-CG 4.27Å; F902-P910 HydrophobicContact CE1-CB 3.77Å; F902-P910 HydrophobicContact CE1-CG 4.43Å; F902-P910 HydrophobicContact CE2-CB 3.83Å; F902-P910 HydrophobicContact CG-CB 3.9Å; F902-P910 HydrophobicContact CG-CG 3.92Å; F902-P910 HydrophobicContact CZ-CB 3.77Å; P910-L930 HydrophobicContact CB-CD1 3.58Å; P910-L930 HydrophobicContact CG-CD1 4.14Å
911	F	94.8	Very high	91.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	12.6	-175.2	-51.2	-65	0	0	0	113.3	W895 V899 P909 T919 K922 V923 W926 L930	W895-F911 HydrophobicContact CH2-CE2 4.19Å; W895-F911 HydrophobicContact CH2-CZ 4.02Å; W895-F911 HydrophobicContact CZ2-CD2 4.33Å; W895-F911 AromaticContact CZ2-CE2 3.41Å; W895-F911 HydrophobicContact CZ2-CE2 3.41Å; W895-F911 VanDerWaalsContact CZ2-CE2 3.41Å; W895-F911 AromaticContact CZ2-CZ 3.7Å; W895-F911 HydrophobicContact CZ2-CZ 3.7Å; V899-F911 HydrophobicContact CG2-CE2 4.29Å; P909-F911 PolarHBondContact O-N 3.24Å; F911-T919 HydrophobicContact CB-CG2 4.48Å; F911-T919 WeakPolarHBondContact O-CG2 3.31Å; F911-K922 HydrophobicContact CB-CB 4.01Å; F911-K922 HydrophobicContact CD1-CB 4.1Å; F911-K922 WeakPolarHBondContact O-CD 3.49Å; F911-V923 HydrophobicContact CB-CG2 3.68Å; F911-V923 HydrophobicContact CD2-CG2 3.7Å; F911-V923 HydrophobicContact CG-CG2 3.7Å; F911-W926 HydrophobicContact CE1-CB 3.83Å; F911-W926 HydrophobicContact CZ-CB 3.87Å; F911-L930 HydrophobicContact CE1-CB 3.99Å; F911-L930 HydrophobicContact CE1-CD1 4.43Å; F911-L930 HydrophobicContact CZ-CB 4.16Å; F911-L930 HydrophobicContact CZ-CD1 4.07Å
912	L	88.7	Confident	91.1	Very high	73 Å²	73	45.4 Å²	45.4	38%	0.382	26%	0.262	S	S	.	.			trans	-53.7	140.9	-177.2	-171.4	62.2	0	0	0	112.1	Q908 P909 K922	Q908-L912 HydrophobicContact CB-CD2 4.35Å; P909-L912 HydrophobicContact CG-CB 4.24Å; P909-L912 HydrophobicContact CG-CD1 4.41Å; P909-L912 WeakPolarHBondContact O-CB 3.5Å; P909-L912 PolarHBondContact O-N 3.35Å; P909-L912 VanDerWaalsContact O-N 3.15Å; L912-K922 PolarHBondContact O-NZ 2.98Å
913	A	88.9	Confident	90.9	Very high	17 Å²	17	45.1 Å²	45.1	14%	0.14	26%	0.261	C	S	.	.			trans	-153.9	156.4	-178.9	0	0	0	0	0	111.7	T915 E918 T919 K922	A913-T915 PolarHBondContact O-N 3.25Å; A913-T915 VanDerWaalsContact O-N 3.16Å; A913-E918 HydrophobicContact CB-CB 3.73Å; A913-E918 HydrophobicContact CB-CG 3.76Å; A913-E918 WeakPolarHBondContact CB-OE1 3.45Å; A913-T919 WeakPolarHBondContact CB-OG1 3.4Å; A913-K922 HydrophobicContact CB-CD 4.31Å
914	P	83.7	Confident	90.7	Very high	121 Å²	121	47.5 Å²	47.5	79%	0.786	27%	0.273	S	S	*	.	S	Bend	trans	-60.8	-19.1	174.7	-24.9	35	0	0	0	115.1
915	T	83.2	Confident	90.6	Very high	65 Å²	65	51.2 Å²	51.2	40%	0.399	29%	0.293	S	S	.	.	S	Bend	trans	-132.9	143.2	177.1	72.4	0	0	0	0	112	A913 T917 E918 T919	A913-T915 PolarHBondContact O-N 3.25Å; A913-T915 VanDerWaalsContact O-N 3.16Å; T915-T917 PolarHBondContact O-N 2.97Å; T915-T917 VanDerWaalsContact O-N 3.15Å; T915-E918 PolarHBondContact O-N 2.81Å; T915-E918 WeakPolarHBondContact OG1-CB 3.28Å; T915-E918 PolarHBondContact OG1-N 2.72Å; T915-T919 PolarHBondContact O-N 3.03Å; T915-T919 PolarHBondContact O-OG1 2.9Å
916	P	81	Confident	90.5	Very high	77 Å²	77	53 Å²	53	50%	0.5	30%	0.299	S	S	.	.	H	α-helix	trans	-57.4	-29.4	175.4	-27.6	35.8	0	0	0	114.2	P875 Q920	P875-P916 HydrophobicContact CG-CB 4.24Å; P916-Q920 WeakPolarHBondContact O-CB 3.42Å; P916-Q920 WeakPolarHBondContact O-CG 3.35Å; P916-Q920 PolarHBondContact O-N 2.79Å
917	T	86.1	Confident	90.5	Very high	92 Å²	92	58.7 Å²	58.7	56%	0.564	33%	0.325	S	S	*	.	H	α-helix	trans	-69.1	-41.3	176.3	-49.7	0	0	0	0	111.4	T915 Q920 L921	T915-T917 PolarHBondContact O-N 2.97Å; T915-T917 VanDerWaalsContact O-N 3.15Å; T917-Q920 PolarHBondContact O-N 3.19Å; T917-L921 WeakPolarHBondContact O-CG 3.35Å; T917-L921 PolarHBondContact O-N 3.36Å
918	E	90.3	Very high	90.8	Very high	71 Å²	71	62.6 Å²	62.6	33%	0.332	34%	0.336	S	S	.	.	H	α-helix	trans	-68.3	-40.2	174.3	-171.9	-164	135.7	0	0	111.2	A913 T915 Q920 L921 K922	A913-E918 HydrophobicContact CB-CB 3.73Å; A913-E918 HydrophobicContact CB-CG 3.76Å; A913-E918 WeakPolarHBondContact CB-OE1 3.45Å; T915-E918 PolarHBondContact O-N 2.81Å; T915-E918 WeakPolarHBondContact OG1-CB 3.28Å; T915-E918 PolarHBondContact OG1-N 2.72Å; E918-Q920 VanDerWaalsContact C-N 3.32Å; E918-Q920 PolarHBondContact O-N 3.25Å; E918-L921 PolarHBondContact O-N 3.11Å; E918-L921 VanDerWaalsContact O-N 3.15Å; E918-K922 WeakPolarHBondContact O-CG 3.39Å; E918-K922 PolarHBondContact O-N 3.2Å; E918-K922 WeakPolarHBondContact OE1-CE 3.34Å; E918-K922 IonicContact OE1-NZ 3.27Å; E918-K922 PolarHBondContact OE1-NZ 2.81Å
919	T	89.9	Confident	91.1	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.018	33%	0.325	C	S	.	.	H	α-helix	trans	-54.2	-48.9	170.6	-54	0	0	0	0	110.7	P875 N876 F911 A913 T915 L921 K922 V923	P875-T919 HydrophobicContact CB-CG2 4.08Å; P875-T919 VanDerWaalsContact O-CG2 3.24Å; P875-T919 WeakPolarHBondContact O-CG2 3.38Å; N876-T919 WeakPolarHBondContact OD1-CG2 3.16Å; F911-T919 HydrophobicContact CB-CG2 4.48Å; F911-T919 WeakPolarHBondContact O-CG2 3.31Å; A913-T919 WeakPolarHBondContact CB-OG1 3.4Å; T915-T919 PolarHBondContact O-N 3.03Å; T915-T919 PolarHBondContact O-OG1 2.9Å; T919-L921 VanDerWaalsContact C-N 3.33Å; T919-L921 PolarHBondContact O-N 3.12Å; T919-K922 PolarHBondContact O-N 2.92Å; T919-K922 VanDerWaalsContact O-N 3.17Å; T919-V923 HydrophobicContact CG2-CG2 4.49Å; T919-V923 WeakPolarHBondContact O-CG2 3.3Å; T919-V923 PolarHBondContact O-N 3.18Å
920	Q	89.9	Confident	91.2	Very high	67 Å²	67	60.9 Å²	60.9	31%	0.313	33%	0.331	S	S	.	.	H	α-helix	trans	-62.3	-38.2	178	-73.6	170	18	0	0	112.5	L883 P916 T917 E918 V923 I924	L883-Q920 HydrophobicContact CD1-CB 4.03Å; L883-Q920 HydrophobicContact CD1-CG 4.03Å; L883-Q920 HydrophobicContact CD2-CG 3.84Å; P916-Q920 WeakPolarHBondContact O-CB 3.42Å; P916-Q920 WeakPolarHBondContact O-CG 3.35Å; P916-Q920 PolarHBondContact O-N 2.79Å; T917-Q920 PolarHBondContact O-N 3.19Å; E918-Q920 VanDerWaalsContact C-N 3.32Å; E918-Q920 PolarHBondContact O-N 3.25Å; Q920-V923 PolarHBondContact O-N 2.97Å; Q920-I924 WeakPolarHBondContact O-CB 3.5Å; Q920-I924 WeakPolarHBondContact O-CD1 3.48Å; Q920-I924 WeakPolarHBondContact O-CG1 3.38Å; Q920-I924 PolarHBondContact O-N 2.98Å
921	L	92.3	Very high	91.1	Very high	99 Å²	99	66.1 Å²	66.1	52%	0.518	35%	0.353	S	S	.	.	H	α-helix	trans	-67.6	-35.4	174.8	-72.1	169.6	0	0	0	112.3	T917 E918 T919 N925	T917-L921 WeakPolarHBondContact O-CG 3.35Å; T917-L921 PolarHBondContact O-N 3.36Å; E918-L921 PolarHBondContact O-N 3.11Å; E918-L921 VanDerWaalsContact O-N 3.15Å; T919-L921 VanDerWaalsContact C-N 3.33Å; T919-L921 PolarHBondContact O-N 3.12Å; L921-N925 WeakPolarHBondContact O-CB 3.41Å; L921-N925 PolarHBondContact O-N 3.43Å; L921-N925 VanDerWaalsContact O-N 3.09Å; L921-N925 PolarHBondContact O-ND2 3.33Å
922	K	94.7	Very high	90.9	Very high	54 Å²	54	67.8 Å²	67.8	24%	0.235	36%	0.362	C	S	.	.	H	α-helix	trans	-65.1	-52.4	171.2	-69.9	174.8	-174.8	170.6	0	110.9	F911 L912 A913 E918 T919 I924 N925 W926 T929	F911-K922 HydrophobicContact CB-CB 4.01Å; F911-K922 HydrophobicContact CD1-CB 4.1Å; F911-K922 WeakPolarHBondContact O-CD 3.49Å; L912-K922 PolarHBondContact O-NZ 2.98Å; A913-K922 HydrophobicContact CB-CD 4.31Å; E918-K922 WeakPolarHBondContact O-CG 3.39Å; E918-K922 PolarHBondContact O-N 3.2Å; E918-K922 WeakPolarHBondContact OE1-CE 3.34Å; E918-K922 IonicContact OE1-NZ 3.27Å; E918-K922 PolarHBondContact OE1-NZ 2.81Å; T919-K922 PolarHBondContact O-N 2.92Å; T919-K922 VanDerWaalsContact O-N 3.17Å; K922-I924 VanDerWaalsContact C-N 3.31Å; K922-I924 PolarHBondContact O-N 3.42Å; K922-N925 CarbonylContact O-C 3.57Å; K922-N925 WeakPolarHBondContact O-CA 3.45Å; K922-N925 PolarHBondContact O-N 3.08Å; K922-W926 WeakPolarHBondContact O-CA 3.12Å; K922-W926 PolarHBondContact O-N 3.05Å; K922-T929 HydrophobicContact CB-CG2 4.39Å; K922-T929 HydrophobicContact CG-CG2 4.25Å; K922-T929 PolarHBondContact O-OG1 3.35Å
923	V	94	Very high	91	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-55.7	-42.1	177.1	173.5	0	0	0	0	112.2	I878 P880 L883 W895 F911 T919 Q920 W926	I878-V923 VanDerWaalsContact O-CG1 3.31Å; I878-V923 WeakPolarHBondContact O-CG1 3.39Å; P880-V923 HydrophobicContact CB-CG1 4.24Å; L883-V923 HydrophobicContact CD1-CB 3.79Å; L883-V923 HydrophobicContact CD1-CG1 3.55Å; W895-V923 HydrophobicContact CZ2-CG1 4.11Å; F911-V923 HydrophobicContact CB-CG2 3.68Å; F911-V923 HydrophobicContact CD2-CG2 3.7Å; F911-V923 HydrophobicContact CG-CG2 3.7Å; T919-V923 HydrophobicContact CG2-CG2 4.49Å; T919-V923 WeakPolarHBondContact O-CG2 3.3Å; T919-V923 PolarHBondContact O-N 3.18Å; Q920-V923 PolarHBondContact O-N 2.97Å; V923-W926 WeakPolarHBondContact O-CB 3.25Å; V923-W926 PolarHBondContact O-N 3.49Å
924	I	92.8	Very high	90.8	Very high	61 Å²	61	69.4 Å²	69.4	31%	0.313	38%	0.383	S	S	.	.	H	α-helix	trans	-65.1	-40.6	176.5	-72.2	165.8	0	0	0	111.2	L883 L884 Q920 K922 W926	L883-I924 HydrophobicContact CB-CD1 4.22Å; L883-I924 HydrophobicContact CB-CG1 4.08Å; L883-I924 HydrophobicContact CD1-CD1 4.33Å; L883-I924 HydrophobicContact CD1-CG1 3.91Å; L884-I924 HydrophobicContact CD2-CG1 4.48Å; L884-I924 HydrophobicContact CD2-CG2 4.27Å; Q920-I924 WeakPolarHBondContact O-CB 3.5Å; Q920-I924 WeakPolarHBondContact O-CD1 3.48Å; Q920-I924 WeakPolarHBondContact O-CG1 3.38Å; Q920-I924 PolarHBondContact O-N 2.98Å; K922-I924 VanDerWaalsContact C-N 3.31Å; K922-I924 PolarHBondContact O-N 3.42Å; I924-W926 VanDerWaalsContact C-N 3.35Å; I924-W926 PolarHBondContact O-N 2.87Å
925	N	94.2	Very high	90.9	Very high	80 Å²	80	71.1 Å²	71.1	43%	0.428	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	39	178.5	-59.6	-70.3	0	0	0	112.1	L921 K922 E927 N928 T929	L921-N925 WeakPolarHBondContact O-CB 3.41Å; L921-N925 PolarHBondContact O-N 3.43Å; L921-N925 VanDerWaalsContact O-N 3.09Å; L921-N925 PolarHBondContact O-ND2 3.33Å; K922-N925 CarbonylContact O-C 3.57Å; K922-N925 WeakPolarHBondContact O-CA 3.45Å; K922-N925 PolarHBondContact O-N 3.08Å; N925-E927 PolarHBondContact O-N 3.08Å; N925-N928 PolarHBondContact O-N 3.16Å; N925-T929 PolarHBondContact O-N 2.83Å; N925-T929 PolarHBondContact O-OG1 2.91Å
926	W	95.3	Very high	91.1	Very high	42 Å²	42	69.5 Å²	69.5	16%	0.159	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-55.8	-37.4	-173.7	63.1	-83.7	0	0	0	113	W895 F911 K922 V923 I924 N928 T929 L930 C950 C951 S952	W895-W926 HydrophobicContact CH2-CB 3.64Å; W895-W926 HydrophobicContact CH2-CD2 4.13Å; W895-W926 AromaticContact CH2-CG 3.62Å; W895-W926 HydrophobicContact CH2-CG 3.62Å; W895-W926 HydrophobicContact CZ2-CB 4.39Å; W895-W926 HydrophobicContact CZ3-CD2 4.27Å; W895-W926 HydrophobicContact CZ3-CG 4.18Å; F911-W926 HydrophobicContact CE1-CB 3.83Å; F911-W926 HydrophobicContact CZ-CB 3.87Å; K922-W926 WeakPolarHBondContact O-CA 3.12Å; K922-W926 PolarHBondContact O-N 3.05Å; V923-W926 WeakPolarHBondContact O-CB 3.25Å; V923-W926 PolarHBondContact O-N 3.49Å; I924-W926 VanDerWaalsContact C-N 3.35Å; I924-W926 PolarHBondContact O-N 2.87Å; W926-N928 PolarHBondContact O-N 3.35Å; W926-N928 VanDerWaalsContact O-N 3.1Å; W926-T929 WeakPolarHBondContact CA-OG1 3.44Å; W926-T929 PolarHBondContact O-N 2.81Å; W926-L930 VanDerWaalsContact O-CB 3.3Å; W926-L930 WeakPolarHBondContact O-CB 3.33Å; W926-L930 PolarHBondContact O-N 3.35Å; W926-C950 WeakPolarHBondContact CZ3-O 3.19Å; W926-C951 HydrophobicContact CH2-CB 3.61Å; W926-C951 HydrophobicContact CZ2-CB 4.3Å; W926-C951 HydrophobicContact CZ3-CB 3.82Å; W926-S952 VanDerWaalsContact CZ2-N 3.34Å
927	E	94.8	Very high	91.4	Very high	142 Å²	142	75.6 Å²	75.6	66%	0.664	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-54.1	-29.6	176.7	-63.1	173.9	-167.1	0	0	113.2	N925	N925-E927 PolarHBondContact O-N 3.08Å
928	N	95.1	Very high	91.7	Very high	122 Å²	122	72.1 Å²	72.1	65%	0.652	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-111.8	8.1	-178.1	-63.4	-72.5	0	0	0	113	N925 W926 H931	N925-N928 PolarHBondContact O-N 3.16Å; W926-N928 PolarHBondContact O-N 3.35Å; W926-N928 VanDerWaalsContact O-N 3.1Å; N928-H931 PolarHBondContact O-CE1 3.08Å
929	T	95.3	Very high	91.9	Very high	40 Å²	40	69.7 Å²	69.7	25%	0.245	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.8	-23.4	-174.5	58	0	0	0	0	114.8	K922 N925 W926 H931	K922-T929 HydrophobicContact CB-CG2 4.39Å; K922-T929 HydrophobicContact CG-CG2 4.25Å; K922-T929 PolarHBondContact O-OG1 3.35Å; N925-T929 PolarHBondContact O-N 2.83Å; N925-T929 PolarHBondContact O-OG1 2.91Å; W926-T929 WeakPolarHBondContact CA-OG1 3.44Å; W926-T929 PolarHBondContact O-N 2.81Å; T929-H931 VanDerWaalsContact C-ND1 3.3Å; T929-H931 PolarHBondContact O-N 3.07Å; T929-H931 PolarHBondContact O-ND1 3.42Å
930	L	95.4	Very high	92.2	Very high	32 Å²	32	74 Å²	74	17%	0.168	39%	0.386	C	S	.	.			trans	-69.5	92.6	173	179.7	62.4	0	0	0	110.6	F902 P910 F911 W926 C950	F902-L930 HydrophobicContact CD2-CD1 4.21Å; F902-L930 HydrophobicContact CE2-CD1 4.21Å; P910-L930 HydrophobicContact CB-CD1 3.58Å; P910-L930 HydrophobicContact CG-CD1 4.14Å; F911-L930 HydrophobicContact CE1-CB 3.99Å; F911-L930 HydrophobicContact CE1-CD1 4.43Å; F911-L930 HydrophobicContact CZ-CB 4.16Å; F911-L930 HydrophobicContact CZ-CD1 4.07Å; W926-L930 VanDerWaalsContact O-CB 3.3Å; W926-L930 WeakPolarHBondContact O-CB 3.33Å; W926-L930 PolarHBondContact O-N 3.35Å; L930-C950 HydrophobicContact CD2-CB 3.65Å
931	H	92.1	Very high	92.5	Very high	131 Å²	131	74.4 Å²	74.4	61%	0.606	39%	0.388	S	S	*	.			trans	-116.4	118.5	178.5	-63.1	90.1	0	0	0	110.7	N928 T929 P933	N928-H931 PolarHBondContact O-CE1 3.08Å; T929-H931 VanDerWaalsContact C-ND1 3.3Å; T929-H931 PolarHBondContact O-N 3.07Å; T929-H931 PolarHBondContact O-ND1 3.42Å; H931-P933 WeakPolarHBondContact O-CD 3.27Å
932	I	92.3	Very high	92.8	Very high	34 Å²	34	69.7 Å²	69.7	17%	0.174	36%	0.363	C	S	.	.			trans	-79.8	115.5	168.8	-61	176.3	0	0	0	107.5	F902 A934 L938 R943 I946	F902-I932 HydrophobicContact CD2-CG1 4.17Å; F902-I932 HydrophobicContact CE2-CB 4.48Å; F902-I932 HydrophobicContact CE2-CG1 3.82Å; I932-A934 PolarHBondContact O-N 3.02Å; I932-L938 HydrophobicContact CG2-CD1 3.82Å; I932-L938 HydrophobicContact CG2-CG 4.4Å; I932-R943 HydrophobicContact CD1-CB 4.05Å; I932-R943 HydrophobicContact CD1-CG 3.87Å; I932-I946 HydrophobicContact CD1-CD1 4.43Å; I932-I946 HydrophobicContact CD1-CG2 4.36Å
933	P	89.5	Confident	92.8	Very high	31 Å²	31	71 Å²	71	20%	0.201	37%	0.367	C	S	.	.			trans	-64.9	137.5	-172.6	-19.3	31.7	0	0	0	112.2	V906 H931 Q935 V936	V906-P933 HydrophobicContact CG1-CG 4.11Å; H931-P933 WeakPolarHBondContact O-CD 3.27Å; P933-Q935 VanDerWaalsContact CB-CD 3.46Å; P933-Q935 HydrophobicContact CB-CG 4.43Å; P933-Q935 VanDerWaalsContact CB-OE1 3.29Å; P933-Q935 PolarHBondContact O-N 3.3Å; P933-V936 HydrophobicContact CB-CG2 4.19Å; P933-V936 HydrophobicContact CG-CG2 4.42Å; P933-V936 PolarHBondContact O-N 2.87Å
934	A	85.3	Confident	93	Very high	94 Å²	94	73.7 Å²	73.7	78%	0.777	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.4	-172	0	0	0	0	0	113.9	I932 V936	I932-A934 PolarHBondContact O-N 3.02Å; A934-V936 VanDerWaalsContact C-N 3.26Å; A934-V936 PolarHBondContact O-N 3.24Å
935	Q	85.9	Confident	93.2	Very high	156 Å²	156	70.8 Å²	70.8	73%	0.729	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-21.7	174.7	65.5	-85.3	25	0	0	113.6	P933 K937	P933-Q935 VanDerWaalsContact CB-CD 3.46Å; P933-Q935 HydrophobicContact CB-CG 4.43Å; P933-Q935 VanDerWaalsContact CB-OE1 3.29Å; P933-Q935 PolarHBondContact O-N 3.3Å; Q935-K937 PolarHBondContact O-N 3.47Å
936	V	86.8	Confident	93.4	Very high	32 Å²	32	67 Å²	67	19%	0.194	35%	0.346	C	S	.	.	S	Bend	trans	-88.2	108.9	-178.9	-167	0	0	0	0	109.8	L905 V906 P933 A934 L938 R943	L905-V936 WeakPolarHBondContact O-CG1 3.16Å; V906-V936 HydrophobicContact CG1-CG2 4.39Å; V906-V936 HydrophobicContact CG2-CG1 4.41Å; P933-V936 HydrophobicContact CB-CG2 4.19Å; P933-V936 HydrophobicContact CG-CG2 4.42Å; P933-V936 PolarHBondContact O-N 2.87Å; A934-V936 VanDerWaalsContact C-N 3.26Å; A934-V936 PolarHBondContact O-N 3.24Å; V936-L938 HydrophobicContact CB-CG 4.45Å; V936-L938 HydrophobicContact CG1-CD2 3.5Å; V936-L938 VanDerWaalsContact CG1-CD2 3.5Å; V936-L938 HydrophobicContact CG1-CG 3.76Å; V936-L938 PolarHBondContact O-N 3.2Å; V936-R943 PolarHBondContact O-NH2 2.88Å
937	K	86.9	Confident	93.4	Very high	205 Å²	205	68.2 Å²	68.2	89%	0.891	36%	0.358	S	S	*	.			trans	-79.1	55.3	-174.9	-64.2	-176.9	-179.5	176.7	0	113.5	Q935	Q935-K937 PolarHBondContact O-N 3.47Å
938	L	92.5	Very high	93.5	Very high	19 Å²	19	65 Å²	65	10%	0.099	34%	0.342	C	S	.	.			trans	-67.5	141.2	175.1	-54.6	-169.6	0	0	0	112.2	L905 V906 I932 V936 R943 I946	L905-L938 HydrophobicContact CB-CD1 4.12Å; L905-L938 HydrophobicContact CB-CD2 3.72Å; L905-L938 HydrophobicContact CD1-CD1 4.38Å; L905-L938 HydrophobicContact CD1-CD2 4.3Å; L905-L938 HydrophobicContact CD2-CD2 4.47Å; L905-L938 HydrophobicContact CG-CD2 4.4Å; V906-L938 HydrophobicContact CG2-CD1 4.19Å; I932-L938 HydrophobicContact CG2-CD1 3.82Å; I932-L938 HydrophobicContact CG2-CG 4.4Å; V936-L938 HydrophobicContact CB-CG 4.45Å; V936-L938 HydrophobicContact CG1-CD2 3.5Å; V936-L938 VanDerWaalsContact CG1-CD2 3.5Å; V936-L938 HydrophobicContact CG1-CG 3.76Å; V936-L938 PolarHBondContact O-N 3.2Å; L938-R943 HydrophobicContact CB-CG 3.92Å; L938-R943 PolarHBondContact O-NE 2.92Å; L938-I946 HydrophobicContact CD1-CD1 4.19Å
939	S	95.7	Very high	93.6	Very high	20 Å²	20	59.3 Å²	59.3	14%	0.14	31%	0.311	C	S	.	.			trans	-57.7	152.6	171.8	65.9	0	0	0	0	112.3	E763 E941 S942 R943	E763-S939 WeakPolarHBondContact OE1-CB 3.19Å; E763-S939 PolarHBondContact OE1-OG 3.42Å; E763-S939 VanDerWaalsContact OE2-CB 3.23Å; E763-S939 WeakPolarHBondContact OE2-CB 3.22Å; E763-S939 PolarHBondContact OE2-N 3.14Å; E763-S939 PolarHBondContact OE2-OG 3.41Å; S939-E941 WeakPolarHBondContact CB-OE2 3.41Å; S939-E941 PolarHBondContact O-N 3.18Å; S939-S942 PolarHBondContact O-N 3.15Å; S939-S942 WeakPolarHBondContact OG-CB 3.43Å; S939-S942 PolarHBondContact OG-N 3.03Å; S939-S942 PolarHBondContact OG-OG 2.82Å; S939-R943 WeakPolarHBondContact O-CG 3.29Å; S939-R943 PolarHBondContact O-N 3.21Å; S939-R943 VanDerWaalsContact O-N 3.11Å
940	P	95.8	Very high	93.7	Very high	92 Å²	92	57.4 Å²	57.4	60%	0.597	30%	0.3	S	S	*	.	H	α-helix	trans	-59.6	-35.1	175.6	22.2	-29.1	0	0	0	111.6	S942 R943 D944	P940-S942 PolarHBondContact O-N 3.3Å; P940-R943 PolarHBondContact O-N 2.89Å; P940-D944 WeakPolarHBondContact O-CB 3.14Å; P940-D944 PolarHBondContact O-N 2.82Å
941	E	97	Very high	93.7	Very high	77 Å²	77	56.6 Å²	56.6	36%	0.36	30%	0.297	S	S	.	.	H	α-helix	trans	-64.7	-38.1	177.4	-61.2	71.4	-156.3	0	0	112.4	S939 L945 P969 F970	S939-E941 WeakPolarHBondContact CB-OE2 3.41Å; S939-E941 PolarHBondContact O-N 3.18Å; E941-L945 WeakPolarHBondContact O-CB 3.12Å; E941-L945 PolarHBondContact O-N 3.03Å; E941-P969 HydrophobicContact CG-CB 4.09Å; E941-F970 HydrophobicContact CB-CB 4.12Å
942	S	96.6	Very high	93.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-67.1	-46.2	174.6	-61.4	0	0	0	0	111.7	E763 S939 P940 D944 L945 I946 F970	E763-S942 PolarHBondContact OE1-OG 3.42Å; E763-S942 PolarHBondContact OE2-OG 3.11Å; S939-S942 PolarHBondContact O-N 3.15Å; S939-S942 WeakPolarHBondContact OG-CB 3.43Å; S939-S942 PolarHBondContact OG-N 3.03Å; S939-S942 PolarHBondContact OG-OG 2.82Å; P940-S942 PolarHBondContact O-N 3.3Å; S942-D944 VanDerWaalsContact C-N 3.34Å; S942-D944 PolarHBondContact O-N 3Å; S942-L945 PolarHBondContact O-N 2.99Å; S942-I946 WeakPolarHBondContact O-CB 3Å; S942-I946 VanDerWaalsContact O-CG1 3.29Å; S942-I946 WeakPolarHBondContact O-CG1 3.4Å; S942-I946 PolarHBondContact O-N 2.96Å; S942-F970 VanDerWaalsContact OG-CE2 3.31Å; S942-F970 WeakPolarHBondContact OG-CE2 3.41Å
943	R	96.1	Very high	93.7	Very high	81 Å²	81	51.8 Å²	51.8	31%	0.306	28%	0.282	S	S	.	.	H	α-helix	trans	-61.2	-44.6	178.5	-67.3	169.1	174.2	-93.5	-6.4	110.8	I932 V936 L938 S939 P940 T947	I932-R943 HydrophobicContact CD1-CB 4.05Å; I932-R943 HydrophobicContact CD1-CG 3.87Å; V936-R943 PolarHBondContact O-NH2 2.88Å; L938-R943 HydrophobicContact CB-CG 3.92Å; L938-R943 PolarHBondContact O-NE 2.92Å; S939-R943 WeakPolarHBondContact O-CG 3.29Å; S939-R943 PolarHBondContact O-N 3.21Å; S939-R943 VanDerWaalsContact O-N 3.11Å; P940-R943 PolarHBondContact O-N 2.89Å; R943-T947 WeakPolarHBondContact O-CG2 3.16Å; R943-T947 PolarHBondContact O-N 3Å; R943-T947 PolarHBondContact O-OG1 3.24Å
944	D	97.1	Very high	93.8	Very high	57 Å²	57	55.3 Å²	55.3	31%	0.305	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-48.7	176.8	-176.3	37.6	0	0	0	111.6	P940 S942 I946 T947 K948 H968	P940-D944 WeakPolarHBondContact O-CB 3.14Å; P940-D944 PolarHBondContact O-N 2.82Å; S942-D944 VanDerWaalsContact C-N 3.34Å; S942-D944 PolarHBondContact O-N 3Å; D944-I946 PolarHBondContact O-N 3.42Å; D944-T947 PolarHBondContact O-N 3.18Å; D944-T947 PolarHBondContact O-OG1 3.26Å; D944-K948 WeakPolarHBondContact O-CB 3.5Å; D944-K948 WeakPolarHBondContact O-CG 3.42Å; D944-K948 PolarHBondContact O-N 3.02Å; D944-K948 WeakPolarHBondContact OD1-CD 3.46Å; D944-K948 WeakPolarHBondContact OD1-CE 3.24Å; D944-K948 IonicContact OD1-NZ 3.87Å; D944-K948 PolarHBondContact OD1-NZ 3.17Å; D944-K948 IonicContact OD2-NZ 2.71Å; D944-K948 PolarHBondContact OD2-NZ 3.37Å; D944-H968 IonicContact OD2-CE1 3.89Å; D944-H968 PolarHBondContact OD2-CE1 2.71Å; D944-H968 VanDerWaalsContact OD2-CE1 3.24Å; D944-H968 IonicContact OD2-NE2 2.59Å; D944-H968 PolarHBondContact OD2-NE2 3.24Å; D944-H968 VanDerWaalsContact OD2-NE2 3.16Å
945	L	97.9	Very high	94.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.7	-44.8	177.1	-176.1	55.5	0	0	0	112.7	L901 E941 S942 T947 K948 L949 L957 H968 F970 F971	L901-L945 HydrophobicContact CD2-CB 4.07Å; L901-L945 HydrophobicContact CD2-CD2 3.58Å; L901-L945 HydrophobicContact CD2-CG 3.69Å; E941-L945 WeakPolarHBondContact O-CB 3.12Å; E941-L945 PolarHBondContact O-N 3.03Å; S942-L945 PolarHBondContact O-N 2.99Å; L945-T947 PolarHBondContact O-N 3.39Å; L945-K948 PolarHBondContact O-N 3Å; L945-L949 HydrophobicContact CD1-CD1 3.78Å; L945-L949 HydrophobicContact CD1-CG 3.99Å; L945-L949 HydrophobicContact CG-CD1 3.88Å; L945-L949 HydrophobicContact CG-CG 4.48Å; L945-L949 WeakPolarHBondContact O-CG 3.46Å; L945-L949 PolarHBondContact O-N 2.97Å; L945-L957 HydrophobicContact CD1-CD2 3.73Å; L945-H968 HydrophobicContact CD1-CB 4.36Å; L945-H968 PolarHBondContact N-CE1 3.29Å; L945-F970 HydrophobicContact CB-CB 4.32Å; L945-F970 HydrophobicContact CD2-CB 3.9Å; L945-F970 HydrophobicContact CD2-CD1 3.26Å; L945-F970 HydrophobicContact CD2-CE1 3.84Å; L945-F970 HydrophobicContact CD2-CG 3.68Å; L945-F971 HydrophobicContact CD2-CE2 3.78Å; L945-F971 HydrophobicContact CD2-CZ 3.74Å
946	I	97.6	Very high	94.6	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56.5	-50.3	175.8	-71.9	168	0	0	0	110.2	L901 F902 L905 I932 L938 S942 D944 K948 L949 C950	L901-I946 HydrophobicContact CB-CG1 4.41Å; L901-I946 HydrophobicContact CD2-CG1 3.74Å; L901-I946 HydrophobicContact CG-CD1 4.27Å; L901-I946 HydrophobicContact CG-CG1 3.79Å; F902-I946 HydrophobicContact CB-CD1 4.13Å; F902-I946 HydrophobicContact CB-CG1 4.49Å; F902-I946 HydrophobicContact CB-CG2 4.38Å; F902-I946 HydrophobicContact CD2-CD1 4.4Å; F902-I946 HydrophobicContact CD2-CG2 4.1Å; L905-I946 HydrophobicContact CD1-CD1 4.4Å; I932-I946 HydrophobicContact CD1-CD1 4.43Å; I932-I946 HydrophobicContact CD1-CG2 4.36Å; L938-I946 HydrophobicContact CD1-CD1 4.19Å; S942-I946 WeakPolarHBondContact O-CB 3Å; S942-I946 VanDerWaalsContact O-CG1 3.29Å; S942-I946 WeakPolarHBondContact O-CG1 3.4Å; S942-I946 PolarHBondContact O-N 2.96Å; D944-I946 PolarHBondContact O-N 3.42Å; I946-K948 VanDerWaalsContact C-N 3.31Å; I946-K948 PolarHBondContact O-N 3.05Å; I946-L949 PolarHBondContact O-N 2.66Å; I946-C950 WeakPolarHBondContact O-CB 3.42Å; I946-C950 PolarHBondContact O-N 3.07Å
947	T	96.3	Very high	94.9	Very high	67 Å²	67	50.9 Å²	50.9	41%	0.411	26%	0.261	S	S	.	.	H	α-helix	trans	-68.2	-27.1	-178.5	57.9	0	0	0	0	113.9	R943 D944 L945 C951	R943-T947 WeakPolarHBondContact O-CG2 3.16Å; R943-T947 PolarHBondContact O-N 3Å; R943-T947 PolarHBondContact O-OG1 3.24Å; D944-T947 PolarHBondContact O-N 3.18Å; D944-T947 PolarHBondContact O-OG1 3.26Å; L945-T947 PolarHBondContact O-N 3.39Å; T947-C951 WeakPolarHBondContact O-CB 3.37Å
948	K	96.8	Very high	95.1	Very high	76 Å²	76	41.1 Å²	41.1	33%	0.33	22%	0.219	S	C	.	.	H	α-helix	trans	-79.4	-19.1	174.8	-77.2	165.6	169.2	162.3	0	114.4	D944 L945 I946 C951 L957 H968	D944-K948 WeakPolarHBondContact O-CB 3.5Å; D944-K948 WeakPolarHBondContact O-CG 3.42Å; D944-K948 PolarHBondContact O-N 3.02Å; D944-K948 WeakPolarHBondContact OD1-CD 3.46Å; D944-K948 WeakPolarHBondContact OD1-CE 3.24Å; D944-K948 IonicContact OD1-NZ 3.87Å; D944-K948 PolarHBondContact OD1-NZ 3.17Å; D944-K948 IonicContact OD2-NZ 2.71Å; D944-K948 PolarHBondContact OD2-NZ 3.37Å; L945-K948 PolarHBondContact O-N 3Å; I946-K948 VanDerWaalsContact C-N 3.31Å; I946-K948 PolarHBondContact O-N 3.05Å; K948-C951 PolarHBondContact O-SG 3.17Å; K948-L957 HydrophobicContact CB-CB 4.23Å; K948-L957 HydrophobicContact CB-CD2 4.44Å; K948-L957 PolarHBondContact O-N 3.4Å; K948-H968 VanDerWaalsContact CD-NE2 3.26Å; K948-H968 WeakPolarHBondContact CD-NE2 3.49Å; K948-H968 PolarHBondContact NZ-NE2 3.24Å
949	L	97.4	Very high	94.9	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-95.1	-44.9	173.9	-67.6	172.9	0	0	0	111.6	W894 V897 L945 I946 C951 R956 L957 L965	W894-L949 HydrophobicContact CB-CD2 4.16Å; V897-L949 HydrophobicContact CG1-CD1 4.15Å; L945-L949 HydrophobicContact CD1-CD1 3.78Å; L945-L949 HydrophobicContact CD1-CG 3.99Å; L945-L949 HydrophobicContact CG-CD1 3.88Å; L945-L949 HydrophobicContact CG-CG 4.48Å; L945-L949 WeakPolarHBondContact O-CG 3.46Å; L945-L949 PolarHBondContact O-N 2.97Å; I946-L949 PolarHBondContact O-N 2.66Å; L949-C951 PolarHBondContact O-N 3.08Å; L949-R956 WeakPolarHBondContact O-CD 3.29Å; L949-R956 VanDerWaalsContact O-CG 3.29Å; L949-R956 WeakPolarHBondContact O-CG 3.41Å; L949-R956 PolarHBondContact O-NE 3.49Å; L949-L957 HydrophobicContact CD2-CB 4.11Å; L949-L965 HydrophobicContact CD2-CD2 3.88Å; L949-L965 HydrophobicContact CD2-CG 4.16Å
950	C	97.1	Very high	94.4	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-85.6	51.5	178.1	-64.7	0	0	0	0	112.5	W895 W926 L930 I946	W895-C950 HydrophobicContact CE3-CB 4.41Å; W895-C950 HydrophobicContact CH2-CB 4.41Å; W895-C950 HydrophobicContact CZ3-CB 4.24Å; W926-C950 WeakPolarHBondContact CZ3-O 3.19Å; L930-C950 HydrophobicContact CD2-CB 3.65Å; I946-C950 WeakPolarHBondContact O-CB 3.42Å; I946-C950 PolarHBondContact O-N 3.07Å
951	C	95.5	Very high	94.1	Very high	15 Å²	15	49.6 Å²	49.6	10%	0.101	25%	0.252	C	S	.	.	S	Bend	trans	-131.8	-176.4	174.2	70.2	0	0	0	0	113	W895 W926 T947 K948 L949 R956	W895-C951 WeakPolarHBondContact CZ3-O 3.44Å; W926-C951 HydrophobicContact CH2-CB 3.61Å; W926-C951 HydrophobicContact CZ2-CB 4.3Å; W926-C951 HydrophobicContact CZ3-CB 3.82Å; T947-C951 WeakPolarHBondContact O-CB 3.37Å; K948-C951 PolarHBondContact O-SG 3.17Å; L949-C951 PolarHBondContact O-N 3.08Å; C951-R956 PolarHBondContact O-NE 2.97Å; C951-R956 PolarHBondContact O-NH2 2.95Å; C951-R956 VanDerWaalsContact SG-CA 3.57Å
952	S	93.3	Very high	93.9	Very high	39 Å²	39	46.2 Å²	46.2	27%	0.273	24%	0.237	S	C	.	.			trans	-62.4	140.3	-179.4	58.9	0	0	0	0	112.6	W926 D954 H955 R956	W926-S952 VanDerWaalsContact CZ2-N 3.34Å; S952-D954 PolarHBondContact O-N 3.45Å; S952-H955 PolarHBondContact O-N 3Å; S952-R956 PolarHBondContact O-N 3.17Å
953	A	91.6	Very high	93.7	Very high	25 Å²	25	51 Å²	51	21%	0.207	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.6	-170.5	0	0	0	0	0	114.9	E881 L891	E881-A953 HydrophobicContact CG-CB 4.35Å; L891-A953 WeakPolarHBondContact CD1-O 3.42Å
954	D	90.1	Very high	93.6	Very high	106 Å²	106	49.1 Å²	49.1	57%	0.567	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-26.9	174.4	-66.5	-70	0	0	0	113.2	S952 R959	S952-D954 PolarHBondContact O-N 3.45Å; D954-R959 WeakPolarHBondContact O-CD 3.3Å; D954-R959 PolarHBondContact O-NH1 2.88Å
955	H	92.3	Very high	93.5	Very high	155 Å²	155	46.5 Å²	46.5	72%	0.718	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-5.5	-178.6	-64.8	-77.1	0	0	0	113.6	S952	S952-H955 PolarHBondContact O-N 3Å
956	R	95.6	Very high	93.4	Very high	3 Å²	3	48.3 Å²	48.3	1%	0.011	25%	0.252	C	S	.	.			trans	-62.8	136.7	-177	-162.7	176.4	-59.6	146.4	4.3	112.7	E881 L891 L949 C951 S952 R959	E881-R956 IonicContact OE1-CZ 2.68Å; E881-R956 IonicContact OE1-NH1 3.86Å; E881-R956 PolarHBondContact OE1-NH1 3.29Å; E881-R956 IonicContact OE1-NH2 3.14Å; E881-R956 PolarHBondContact OE1-NH2 2.83Å; E881-R956 IonicContact OE2-CZ 3.82Å; E881-R956 IonicContact OE2-NH1 2.85Å; E881-R956 IonicContact OE2-NH2 2.66Å; E881-R956 PolarHBondContact OE2-NH2 3.25Å; L891-R956 PolarHBondContact O-NH1 3.04Å; L949-R956 WeakPolarHBondContact O-CD 3.29Å; L949-R956 VanDerWaalsContact O-CG 3.29Å; L949-R956 WeakPolarHBondContact O-CG 3.41Å; L949-R956 PolarHBondContact O-NE 3.49Å; C951-R956 PolarHBondContact O-NE 2.97Å; C951-R956 PolarHBondContact O-NH2 2.95Å; C951-R956 VanDerWaalsContact SG-CA 3.57Å; S952-R956 PolarHBondContact O-N 3.17Å; R956-R959 WeakPolarHBondContact O-CB 3.49Å; R956-R959 PolarHBondContact O-N 3.46Å
957	L	93.6	Very high	93.3	Very high	30 Å²	30	52.4 Å²	52.4	16%	0.157	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	140.3	172.4	-157.2	66.2	0	0	0	110	L945 K948 L949 D964 L965 H968	L945-L957 HydrophobicContact CD1-CD2 3.73Å; K948-L957 HydrophobicContact CB-CB 4.23Å; K948-L957 HydrophobicContact CB-CD2 4.44Å; K948-L957 PolarHBondContact O-N 3.4Å; L949-L957 HydrophobicContact CD2-CB 4.11Å; L957-D964 HydrophobicContact CD1-CB 3.97Å; L957-D964 HydrophobicContact CG-CB 4.12Å; L957-L965 HydrophobicContact CB-CD1 4.44Å; L957-L965 HydrophobicContact CD2-CG 4.13Å; L957-L965 HydrophobicContact CG-CD1 4.16Å; L957-L965 HydrophobicContact CG-CG 4.21Å; L957-H968 HydrophobicContact CD2-CB 4.41Å
958	G	90.3	Very high	93.3	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.01	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.5	1.3	-174.2	0	0	0	0	0	114.5	L891 N960 G961 D964	L891-G958 VanDerWaalsContact CD2-O 3.24Å; L891-G958 WeakPolarHBondContact CD2-O 3.38Å; G958-N960 VanDerWaalsContact C-N 3.27Å; G958-N960 PolarHBondContact O-N 3.37Å; G958-G961 WeakPolarHBondContact CA-O 3.45Å; G958-G961 PolarHBondContact O-N 3.28Å; G958-D964 VanDerWaalsContact C-OD2 3.29Å; G958-D964 WeakPolarHBondContact CA-OD2 3.42Å; G958-D964 PolarHBondContact N-OD2 3.06Å
959	R	88.7	Confident	93.3	Very high	148 Å²	148	49.4 Å²	49.4	56%	0.558	27%	0.274	S	S	*	.	S	Bend	trans	-59.3	-32.8	177.6	179.7	171.9	173.6	176.9	1.6	113.2	L891 D954 R956 D964	L891-R959 HydrophobicContact CD1-CB 4.32Å; L891-R959 HydrophobicContact CD1-CG 4.4Å; D954-R959 WeakPolarHBondContact O-CD 3.3Å; D954-R959 PolarHBondContact O-NH1 2.88Å; R956-R959 WeakPolarHBondContact O-CB 3.49Å; R956-R959 PolarHBondContact O-N 3.46Å; R959-D964 PolarHBondContact N-OD2 2.78Å; R959-D964 VanDerWaalsContact N-OD2 3.12Å
960	N	86.3	Confident	93.3	Very high	140 Å²	140	49.4 Å²	49.4	75%	0.749	27%	0.274	S	S	*	.	S	Bend	trans	-95.9	-10.9	178.3	-45.7	-62	0	0	0	112.7	G958 D964	G958-N960 VanDerWaalsContact C-N 3.27Å; G958-N960 PolarHBondContact O-N 3.37Å; N960-D964 WeakPolarHBondContact CB-OD2 3.37Å; N960-D964 PolarHBondContact N-OD2 2.71Å; N960-D964 PolarHBondContact ND2-OD1 3.07Å; N960-D964 PolarHBondContact ND2-OD2 3.41Å
961	G	88.4	Confident	93.3	Very high	21 Å²	21	49.6 Å²	49.6	22%	0.216	28%	0.275	C	S	.	.			trans	138.7	170.9	-176	0	0	0	0	0	111.5	G958 D963 D964	G958-G961 WeakPolarHBondContact CA-O 3.45Å; G958-G961 PolarHBondContact O-N 3.28Å; G961-D963 PolarHBondContact O-N 3.19Å; G961-D963 VanDerWaalsContact O-N 3.1Å; G961-D964 WeakPolarHBondContact O-CB 3.43Å; G961-D964 PolarHBondContact O-N 3.03Å
962	A	93.1	Very high	93.2	Very high	6 Å²	6	54 Å²	54	5%	0.05	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.6	-178.6	0	0	0	0	0	113.6	T774 E778 W894 D964 L965 K966	T774-A962 HydrophobicContact CG2-CB 4.28Å; E778-A962 HydrophobicContact CB-CB 3.71Å; E778-A962 HydrophobicContact CG-CB 3.59Å; W894-A962 HydrophobicContact CH2-CB 3.95Å; W894-A962 HydrophobicContact CZ2-CB 3.8Å; A962-D964 PolarHBondContact O-N 3.46Å; A962-L965 WeakPolarHBondContact O-CB 3.28Å; A962-L965 PolarHBondContact O-N 3.46Å; A962-K966 PolarHBondContact O-N 2.86Å; A962-K966 VanDerWaalsContact O-N 3.13Å
963	D	93.6	Very high	93.1	Very high	100 Å²	100	56 Å²	56	54%	0.535	33%	0.325	S	S	.	.	H	α-helix	trans	-65.1	-25.5	178.4	-54.9	-38.8	0	0	0	112.5	G961 L965 K966 A967	G961-D963 PolarHBondContact O-N 3.19Å; G961-D963 VanDerWaalsContact O-N 3.1Å; D963-L965 PolarHBondContact O-N 3.38Å; D963-K966 PolarHBondContact O-N 3.01Å; D963-K966 WeakPolarHBondContact OD1-CD 3.5Å; D963-K966 WeakPolarHBondContact OD1-CE 3.37Å; D963-K966 IonicContact OD1-NZ 2.57Å; D963-K966 PolarHBondContact OD1-NZ 2.8Å; D963-A967 WeakPolarHBondContact O-CB 3.46Å; D963-A967 PolarHBondContact O-N 2.95Å; D963-A967 VanDerWaalsContact O-N 3.09Å
964	D	93.3	Very high	93.2	Very high	42 Å²	42	56.2 Å²	56.2	23%	0.225	32%	0.323	C	S	.	.	H	α-helix	trans	-56.7	-38.1	168.2	-70.2	-27.7	0	0	0	111.5	L957 G958 R959 N960 G961 A962	L957-D964 HydrophobicContact CD1-CB 3.97Å; L957-D964 HydrophobicContact CG-CB 4.12Å; G958-D964 VanDerWaalsContact C-OD2 3.29Å; G958-D964 WeakPolarHBondContact CA-OD2 3.42Å; G958-D964 PolarHBondContact N-OD2 3.06Å; R959-D964 PolarHBondContact N-OD2 2.78Å; R959-D964 VanDerWaalsContact N-OD2 3.12Å; N960-D964 WeakPolarHBondContact CB-OD2 3.37Å; N960-D964 PolarHBondContact N-OD2 2.71Å; N960-D964 PolarHBondContact ND2-OD1 3.07Å; N960-D964 PolarHBondContact ND2-OD2 3.41Å; G961-D964 WeakPolarHBondContact O-CB 3.43Å; G961-D964 PolarHBondContact O-N 3.03Å; A962-D964 PolarHBondContact O-N 3.46Å
965	L	94.7	Very high	93.2	Very high	1 Å²	1	55 Å²	55	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-77.1	-46.5	178.1	-75.4	76.1	0	0	0	110.4	T774 W894 L949 L957 A962 D963 A967 H968 F971	T774-L965 HydrophobicContact CG2-CB 4.01Å; T774-L965 HydrophobicContact CG2-CD2 4.17Å; W894-L965 HydrophobicContact CD2-CD1 4.18Å; W894-L965 HydrophobicContact CD2-CD2 4.04Å; W894-L965 HydrophobicContact CE3-CD1 4.48Å; W894-L965 HydrophobicContact CE3-CD2 3.55Å; W894-L965 HydrophobicContact CG-CD1 4.47Å; W894-L965 HydrophobicContact CH2-CD2 4.49Å; W894-L965 HydrophobicContact CZ3-CD2 3.82Å; L949-L965 HydrophobicContact CD2-CD2 3.88Å; L949-L965 HydrophobicContact CD2-CG 4.16Å; L957-L965 HydrophobicContact CB-CD1 4.44Å; L957-L965 HydrophobicContact CD2-CG 4.13Å; L957-L965 HydrophobicContact CG-CD1 4.16Å; L957-L965 HydrophobicContact CG-CG 4.21Å; A962-L965 WeakPolarHBondContact O-CB 3.28Å; A962-L965 PolarHBondContact O-N 3.46Å; D963-L965 PolarHBondContact O-N 3.38Å; L965-A967 PolarHBondContact O-N 3.26Å; L965-H968 WeakPolarHBondContact O-CB 3.4Å; L965-H968 PolarHBondContact O-N 3.05Å; L965-F971 WeakPolarHBondContact O-CD2 3.24Å; L965-F971 WeakPolarHBondContact O-CE2 3.47Å
966	K	95.3	Very high	93.2	Very high	38 Å²	38	49.9 Å²	49.9	17%	0.165	29%	0.292	C	S	.	.	H	α-helix	trans	-58.8	-32.7	-177.5	-62.1	173.2	-160.2	163.5	0	112.6	T774 E778 A962 D963 H968 F976	T774-K966 HydrophobicContact CG2-CG 4.31Å; E778-K966 IonicContact OE1-NZ 2.76Å; E778-K966 PolarHBondContact OE1-NZ 2.66Å; E778-K966 IonicContact OE2-NZ 2.81Å; E778-K966 PolarHBondContact OE2-NZ 3.3Å; A962-K966 PolarHBondContact O-N 2.86Å; A962-K966 VanDerWaalsContact O-N 3.13Å; D963-K966 PolarHBondContact O-N 3.01Å; D963-K966 WeakPolarHBondContact OD1-CD 3.5Å; D963-K966 WeakPolarHBondContact OD1-CE 3.37Å; D963-K966 IonicContact OD1-NZ 2.57Å; D963-K966 PolarHBondContact OD1-NZ 2.8Å; K966-H968 PolarHBondContact O-N 3.41Å; K966-F976 HydrophobicContact CB-CD2 3.68Å; K966-F976 HydrophobicContact CB-CE2 3.73Å; K966-F976 HydrophobicContact CB-CG 4.12Å; K966-F976 HydrophobicContact CB-CZ 4.22Å; K966-F976 HydrophobicContact CD-CB 4.28Å; K966-F976 HydrophobicContact CD-CD1 4.22Å; K966-F976 HydrophobicContact CD-CG 4.13Å; K966-F976 HydrophobicContact CG-CD1 3.99Å; K966-F976 HydrophobicContact CG-CD2 4Å; K966-F976 HydrophobicContact CG-CE1 4.01Å; K966-F976 HydrophobicContact CG-CE2 4.01Å; K966-F976 HydrophobicContact CG-CG 3.97Å; K966-F976 HydrophobicContact CG-CZ 4.02Å
967	A	95.5	Very high	92.7	Very high	86 Å²	86	55 Å²	55	71%	0.711	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-2.1	176.4	0	0	0	0	0	114.5	D963 L965	D963-A967 WeakPolarHBondContact O-CB 3.46Å; D963-A967 PolarHBondContact O-N 2.95Å; D963-A967 VanDerWaalsContact O-N 3.09Å; L965-A967 PolarHBondContact O-N 3.26Å
968	H	97.4	Very high	92.2	Very high	10 Å²	10	55.4 Å²	55.4	5%	0.046	33%	0.334	C	S	.	.	S	Bend	trans	-71.9	136.8	-176.9	-157.2	-97.3	0	0	0	112	D944 L945 K948 L957 L965 K966 F970 F971	D944-H968 IonicContact OD2-CE1 3.89Å; D944-H968 PolarHBondContact OD2-CE1 2.71Å; D944-H968 VanDerWaalsContact OD2-CE1 3.24Å; D944-H968 IonicContact OD2-NE2 2.59Å; D944-H968 PolarHBondContact OD2-NE2 3.24Å; D944-H968 VanDerWaalsContact OD2-NE2 3.16Å; L945-H968 HydrophobicContact CD1-CB 4.36Å; L945-H968 PolarHBondContact N-CE1 3.29Å; K948-H968 VanDerWaalsContact CD-NE2 3.26Å; K948-H968 WeakPolarHBondContact CD-NE2 3.49Å; K948-H968 PolarHBondContact NZ-NE2 3.24Å; L957-H968 HydrophobicContact CD2-CB 4.41Å; L965-H968 WeakPolarHBondContact O-CB 3.4Å; L965-H968 PolarHBondContact O-N 3.05Å; K966-H968 PolarHBondContact O-N 3.41Å; H968-F970 PolarHBondContact O-N 3.19Å; H968-F971 HydrophobicContact CB-CD2 3.96Å; H968-F971 HydrophobicContact CB-CE2 4.19Å; H968-F971 PolarHBondContact O-N 3.47Å
969	P	97.3	Very high	92	Very high	70 Å²	70	58.2 Å²	58.2	46%	0.455	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-54	-26.9	-178.6	-29.9	36.4	0	0	0	115.3	E941 F971 S972	E941-P969 HydrophobicContact CG-CB 4.09Å; P969-F971 PolarHBondContact O-N 3.26Å; P969-S972 WeakPolarHBondContact O-CB 3.31Å; P969-S972 PolarHBondContact O-N 2.88Å; P969-S972 PolarHBondContact O-OG 3.43Å
970	F	97.6	Very high	92	Very high	1 Å²	1	51.2 Å²	51.2	0%	0.004	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-54.8	-32.1	172.4	177.1	-101.4	0	0	0	113.3	E763 R767 L901 E941 S942 L945 H968	E763-F970 HydrophobicContact CG-CE2 4.02Å; R767-F970 HydrophobicContact CB-CE1 3.92Å; R767-F970 HydrophobicContact CB-CE2 4.43Å; R767-F970 HydrophobicContact CB-CZ 3.73Å; R767-F970 WeakPolarHBondContact CD-O 3.41Å; R767-F970 HydrophobicContact CG-CE1 4.13Å; R767-F970 HydrophobicContact CG-CZ 4.34Å; R767-F970 PolarHBondContact NE-O 3.26Å; L901-F970 HydrophobicContact CD1-CE1 4.27Å; L901-F970 HydrophobicContact CD1-CE2 4.41Å; L901-F970 HydrophobicContact CD1-CZ 3.76Å; E941-F970 HydrophobicContact CB-CB 4.12Å; S942-F970 VanDerWaalsContact OG-CE2 3.31Å; S942-F970 WeakPolarHBondContact OG-CE2 3.41Å; L945-F970 HydrophobicContact CB-CB 4.32Å; L945-F970 HydrophobicContact CD2-CB 3.9Å; L945-F970 HydrophobicContact CD2-CD1 3.26Å; L945-F970 HydrophobicContact CD2-CE1 3.84Å; L945-F970 HydrophobicContact CD2-CG 3.68Å; H968-F970 PolarHBondContact O-N 3.19Å
971	F	96.9	Very high	92.3	Very high	4 Å²	4	46 Å²	46	2%	0.018	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-97.1	14.5	177.9	-52	-76.1	0	0	0	113.8	R767 I770 A771 L945 L965 H968 P969 A973 I974 F976	R767-F971 HydrophobicContact CG-CD1 4.43Å; I770-F971 HydrophobicContact CB-CE1 4.44Å; I770-F971 HydrophobicContact CG2-CE1 4.03Å; I770-F971 HydrophobicContact CG2-CZ 3.88Å; A771-F971 HydrophobicContact CB-CD1 3.97Å; A771-F971 HydrophobicContact CB-CE1 4.04Å; L945-F971 HydrophobicContact CD2-CE2 3.78Å; L945-F971 HydrophobicContact CD2-CZ 3.74Å; L965-F971 WeakPolarHBondContact O-CD2 3.24Å; L965-F971 WeakPolarHBondContact O-CE2 3.47Å; H968-F971 HydrophobicContact CB-CD2 3.96Å; H968-F971 HydrophobicContact CB-CE2 4.19Å; H968-F971 PolarHBondContact O-N 3.47Å; P969-F971 PolarHBondContact O-N 3.26Å; F971-A973 PolarHBondContact O-N 3.06Å; F971-I974 HydrophobicContact CB-CB 4.37Å; F971-I974 HydrophobicContact CB-CG1 4.44Å; F971-I974 WeakPolarHBondContact O-CB 3.21Å; F971-I974 PolarHBondContact O-N 2.83Å; F971-F976 HydrophobicContact CB-CE2 3.61Å; F971-F976 HydrophobicContact CB-CZ 4.01Å; F971-F976 HydrophobicContact CD1-CE2 4.45Å; F971-F976 AromaticContact CD1-CZ 3.97Å; F971-F976 HydrophobicContact CD1-CZ 3.97Å; F971-F976 HydrophobicContact CD2-CE2 4.45Å; F971-F976 HydrophobicContact CD2-CZ 4.41Å; F971-F976 AromaticContact CG-CE2 3.96Å; F971-F976 HydrophobicContact CG-CE2 3.96Å; F971-F976 AromaticContact CG-CZ 3.89Å; F971-F976 HydrophobicContact CG-CZ 3.89Å
972	S	93.2	Very high	92.3	Very high	107 Å²	107	53 Å²	53	75%	0.748	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-19.1	-179.8	50.5	0	0	0	0	115.3	P969	P969-S972 WeakPolarHBondContact O-CB 3.31Å; P969-S972 PolarHBondContact O-N 2.88Å; P969-S972 PolarHBondContact O-OG 3.43Å
973	A	90.8	Very high	92.1	Very high	81 Å²	81	56.4 Å²	56.4	67%	0.669	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	5.7	174.5	0	0	0	0	0	114.7	F971	F971-A973 PolarHBondContact O-N 3.06Å
974	I	93.6	Very high	92	Very high	31 Å²	31	57.3 Å²	57.3	16%	0.159	34%	0.342	C	S	.	.			trans	-117.1	122.7	-176.3	-55.2	-63	0	0	0	110.4	R767 A771 F971 F976 I980	R767-I974 HydrophobicContact CG-CD1 4.2Å; R767-I974 HydrophobicContact CG-CG1 3.95Å; A771-I974 HydrophobicContact CB-CG1 4.31Å; A771-I974 HydrophobicContact CB-CG2 4.04Å; F971-I974 HydrophobicContact CB-CB 4.37Å; F971-I974 HydrophobicContact CB-CG1 4.44Å; F971-I974 WeakPolarHBondContact O-CB 3.21Å; F971-I974 PolarHBondContact O-N 2.83Å; I974-F976 HydrophobicContact CB-CE2 4.31Å; I974-F976 HydrophobicContact CG2-CD1 4.31Å; I974-F976 HydrophobicContact CG2-CD2 4.29Å; I974-F976 HydrophobicContact CG2-CE1 4.15Å; I974-F976 HydrophobicContact CG2-CE2 4.13Å; I974-F976 HydrophobicContact CG2-CG 4.39Å; I974-F976 HydrophobicContact CG2-CZ 4.06Å; I974-F976 PolarHBondContact O-N 3.24Å; I974-I980 HydrophobicContact CG2-CD1 3.9Å
975	D	90.6	Very high	92	Very high	81 Å²	81	55.8 Å²	55.8	43%	0.433	34%	0.335	S	S	.	.			trans	-90.5	94.7	172.9	178.6	15.9	0	0	0	111.9	S977 S978	D975-S977 PolarHBondContact O-N 3.29Å; D975-S977 WeakPolarHBondContact OD1-CA 3.38Å; D975-S977 VanDerWaalsContact OD1-CB 3.25Å; D975-S977 WeakPolarHBondContact OD1-CB 3.3Å; D975-S977 PolarHBondContact OD1-N 3.47Å; D975-S977 PolarHBondContact OD1-OG 3.38Å; D975-S977 PolarHBondContact OD2-OG 3.16Å; D975-S978 PolarHBondContact O-N 3.33Å; D975-S978 PolarHBondContact O-OG 2.99Å; D975-S978 PolarHBondContact OD1-N 3.06Å; D975-S978 WeakPolarHBondContact OD2-CB 3.47Å; D975-S978 PolarHBondContact OD2-N 3.15Å
976	F	91.3	Very high	92	Very high	47 Å²	47	59.1 Å²	59.1	21%	0.206	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-4.5	173.1	-64.6	-77.8	0	0	0	114.9	A771 L775 K966 F971 I974	A771-F976 HydrophobicContact CB-CE1 3.78Å; A771-F976 HydrophobicContact CB-CZ 3.83Å; L775-F976 HydrophobicContact CD1-CD1 4.27Å; L775-F976 HydrophobicContact CD2-CD1 4.16Å; L775-F976 HydrophobicContact CG-CD1 4.26Å; L775-F976 HydrophobicContact CG-CE1 4.45Å; K966-F976 HydrophobicContact CB-CD2 3.68Å; K966-F976 HydrophobicContact CB-CE2 3.73Å; K966-F976 HydrophobicContact CB-CG 4.12Å; K966-F976 HydrophobicContact CB-CZ 4.22Å; K966-F976 HydrophobicContact CD-CB 4.28Å; K966-F976 HydrophobicContact CD-CD1 4.22Å; K966-F976 HydrophobicContact CD-CG 4.13Å; K966-F976 HydrophobicContact CG-CD1 3.99Å; K966-F976 HydrophobicContact CG-CD2 4Å; K966-F976 HydrophobicContact CG-CE1 4.01Å; K966-F976 HydrophobicContact CG-CE2 4.01Å; K966-F976 HydrophobicContact CG-CG 3.97Å; K966-F976 HydrophobicContact CG-CZ 4.02Å; F971-F976 HydrophobicContact CB-CE2 3.61Å; F971-F976 HydrophobicContact CB-CZ 4.01Å; F971-F976 HydrophobicContact CD1-CE2 4.45Å; F971-F976 AromaticContact CD1-CZ 3.97Å; F971-F976 HydrophobicContact CD1-CZ 3.97Å; F971-F976 HydrophobicContact CD2-CE2 4.45Å; F971-F976 HydrophobicContact CD2-CZ 4.41Å; F971-F976 AromaticContact CG-CE2 3.96Å; F971-F976 HydrophobicContact CG-CE2 3.96Å; F971-F976 AromaticContact CG-CZ 3.89Å; F971-F976 HydrophobicContact CG-CZ 3.89Å; I974-F976 HydrophobicContact CB-CE2 4.31Å; I974-F976 HydrophobicContact CG2-CD1 4.31Å; I974-F976 HydrophobicContact CG2-CD2 4.29Å; I974-F976 HydrophobicContact CG2-CE1 4.15Å; I974-F976 HydrophobicContact CG2-CE2 4.13Å; I974-F976 HydrophobicContact CG2-CG 4.39Å; I974-F976 HydrophobicContact CG2-CZ 4.06Å; I974-F976 PolarHBondContact O-N 3.24Å
977	S	86.3	Confident	91.9	Very high	110 Å²	110	59.6 Å²	59.6	77%	0.769	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-27.5	170.5	80.6	0	0	0	0	111.9	D975	D975-S977 PolarHBondContact O-N 3.29Å; D975-S977 WeakPolarHBondContact OD1-CA 3.38Å; D975-S977 VanDerWaalsContact OD1-CB 3.25Å; D975-S977 WeakPolarHBondContact OD1-CB 3.3Å; D975-S977 PolarHBondContact OD1-N 3.47Å; D975-S977 PolarHBondContact OD1-OG 3.38Å; D975-S977 PolarHBondContact OD2-OG 3.16Å
978	S	82.5	Confident	91.9	Very high	39 Å²	39	59.3 Å²	59.3	27%	0.273	35%	0.347	S	S	.	.	S	Bend	trans	-76.1	160.3	165.6	82.6	0	0	0	0	111.9	D975 I980 Q983	D975-S978 PolarHBondContact O-N 3.33Å; D975-S978 PolarHBondContact O-OG 2.99Å; D975-S978 PolarHBondContact OD1-N 3.06Å; D975-S978 WeakPolarHBondContact OD2-CB 3.47Å; D975-S978 PolarHBondContact OD2-N 3.15Å; S978-I980 PolarHBondContact O-N 3.24Å; S978-Q983 PolarHBondContact OG-NE2 3.4Å
979	D	85.3	Confident	91.7	Very high	59 Å²	59	59.1 Å²	59.1	32%	0.316	35%	0.347	S	S	.	.			trans	-84	102.5	170.1	-176.2	-1.2	0	0	0	109.9	R981 K982	D979-R981 PolarHBondContact O-N 3.17Å; D979-R981 VanDerWaalsContact O-N 3.16Å; D979-R981 PolarHBondContact OD1-N 3.41Å; D979-K982 HydrophobicContact CB-CD 4.27Å; D979-K982 HydrophobicContact CB-CG 4.19Å; D979-K982 WeakPolarHBondContact O-CB 3.31Å; D979-K982 PolarHBondContact O-N 2.96Å; D979-K982 IonicContact OD2-NZ 2.65Å; D979-K982 PolarHBondContact OD2-NZ 2.98Å
980	I	90.1	Very high	91.5	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.01	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-59.3	-26.3	-176.8	-161.3	171.9	0	0	0	112.8	W725 F768 A771 E772 L775 H802 I974 S978 K982 Q983	W725-I980 HydrophobicContact CH2-CG2 3.73Å; W725-I980 HydrophobicContact CZ2-CG2 4.31Å; F768-I980 HydrophobicContact CD2-CD1 4.1Å; F768-I980 HydrophobicContact CD2-CG1 4.43Å; F768-I980 HydrophobicContact CE2-CD1 4.03Å; F768-I980 HydrophobicContact CE2-CG1 3.91Å; A771-I980 HydrophobicContact CB-CD1 4.2Å; E772-I980 HydrophobicContact CG-CD1 4.34Å; E772-I980 HydrophobicContact CG-CG2 4.2Å; L775-I980 HydrophobicContact CD1-CG2 3.68Å; H802-I980 PolarHBondContact CE1-O 2.89Å; I974-I980 HydrophobicContact CG2-CD1 3.9Å; S978-I980 PolarHBondContact O-N 3.24Å; I980-K982 PolarHBondContact O-N 3.5Å; I980-Q983 PolarHBondContact O-N 2.9Å; I980-Q983 VanDerWaalsContact O-N 3.09Å
981	R	91	Very high	91.3	Very high	31 Å²	31	63.4 Å²	63.4	12%	0.117	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-71.4	-4	175.2	-61	-162.7	87.1	94.9	-5.4	114.3	W725 D798 H802 I803 D979	W725-R981 HydrophobicContact CH2-CG 3.56Å; W725-R981 HydrophobicContact CZ2-CG 3.94Å; W725-R981 HydrophobicContact CZ3-CG 4.09Å; D798-R981 IonicContact OD2-CZ 2.74Å; D798-R981 IonicContact OD2-NH2 3.95Å; D798-R981 PolarHBondContact OD2-NH2 3.02Å; H802-R981 VanDerWaalsContact CB-CZ 3.47Å; I803-R981 VanDerWaalsContact O-CZ 3.31Å; I803-R981 PolarHBondContact O-NH1 2.71Å; I803-R981 PolarHBondContact O-NH2 2.81Å; D979-R981 PolarHBondContact O-N 3.17Å; D979-R981 VanDerWaalsContact O-N 3.16Å; D979-R981 PolarHBondContact OD1-N 3.41Å
982	K	88.9	Confident	91.1	Very high	168 Å²	168	67.6 Å²	67.6	73%	0.73	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-99	-7.4	171.7	-62.1	-171.5	174.2	73.9	0	113.1	D979 I980	D979-K982 HydrophobicContact CB-CD 4.27Å; D979-K982 HydrophobicContact CB-CG 4.19Å; D979-K982 WeakPolarHBondContact O-CB 3.31Å; D979-K982 PolarHBondContact O-N 2.96Å; D979-K982 IonicContact OD2-NZ 2.65Å; D979-K982 PolarHBondContact OD2-NZ 2.98Å; I980-K982 PolarHBondContact O-N 3.5Å
983	Q	88.8	Confident	91	Very high	77 Å²	77	67.1 Å²	67.1	36%	0.36	39%	0.386	S	S	.	.	S	Bend	trans	-90.5	140.8	172.1	-52.5	-173.6	15.3	0	0	108.3	H802 S978 I980 A985	H802-Q983 PolarHBondContact CE1-O 3.25Å; H802-Q983 PolarHBondContact NE2-O 2.77Å; H802-Q983 VanDerWaalsContact NE2-O 3.14Å; S978-Q983 PolarHBondContact OG-NE2 3.4Å; I980-Q983 PolarHBondContact O-N 2.9Å; I980-Q983 VanDerWaalsContact O-N 3.09Å; Q983-A985 PolarHBondContact O-N 3.01Å
984	P	91	Very high	90.8	Very high	119 Å²	119	65.7 Å²	65.7	77%	0.773	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-63.4	131.8	179.3	26.8	-34.3	0	0	0	111.1
985	A	94.4	Very high	90.8	Very high	9 Å²	9	68.6 Å²	68.6	7%	0.074	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-63.8	142.1	177.1	0	0	0	0	0	111.6	F768 D800 Q983 Y987	F768-A985 HydrophobicContact CE1-CB 3.91Å; F768-A985 HydrophobicContact CZ-CB 3.9Å; D800-A985 WeakPolarHBondContact O-CB 3.24Å; Q983-A985 PolarHBondContact O-N 3.01Å; A985-Y987 PolarHBondContact O-N 3.23Å
986	P	93.8	Very high	90.9	Very high	71 Å²	71	65.4 Å²	65.4	46%	0.461	37%	0.367	S	S	.	.	S	Bend	trans	-68	-17	179.7	-19.4	32.1	0	0	0	114.4	L765 F768	L765-P986 HydrophobicContact CD1-CB 3.93Å; F768-P986 HydrophobicContact CB-CG 3.89Å; F768-P986 VanDerWaalsContact CD1-CD 3.43Å; F768-P986 HydrophobicContact CD1-CG 4.17Å; F768-P986 HydrophobicContact CD2-CG 4Å; F768-P986 VanDerWaalsContact CG-CD 3.43Å; F768-P986 HydrophobicContact CG-CG 3.75Å
987	Y	94.2	Very high	90.9	Very high	48 Å²	48	64 Å²	64	19%	0.188	36%	0.362	C	S	.	.			trans	-127.7	126.9	168.4	169.1	-91.7	0	0	0	108.5	L754 Y769 G801 A985 P989	L754-Y987 HydrophobicContact CD1-CD1 4.26Å; L754-Y987 HydrophobicContact CD1-CD2 4.22Å; L754-Y987 HydrophobicContact CD1-CE1 3.8Å; L754-Y987 HydrophobicContact CD1-CE2 3.75Å; L754-Y987 HydrophobicContact CD1-CG 4.46Å; L754-Y987 HydrophobicContact CD2-CD1 3.75Å; L754-Y987 HydrophobicContact CD2-CE1 3.89Å; L754-Y987 HydrophobicContact CD2-CG 4.2Å; L754-Y987 HydrophobicContact CG-CE1 4.49Å; Y769-Y987 PolarHBondContact OH-O 3.27Å; G801-Y987 VanDerWaalsContact CA-O 3.31Å; G801-Y987 WeakPolarHBondContact CA-O 3.33Å; A985-Y987 PolarHBondContact O-N 3.23Å; Y987-P989 HydrophobicContact CE1-CB 4.07Å
988	V	94.9	Very high	91.1	Very high	80 Å²	80	62.6 Å²	62.6	49%	0.485	35%	0.352	S	S	.	.			trans	-116	124.6	173.3	-179.3	0	0	0	0	107.6
989	P	93.4	Very high	91.5	Very high	6 Å²	6	61.2 Å²	61.2	4%	0.039	34%	0.341	C	S	.	.			trans	-66.4	137.8	-178.5	26.8	-34.4	0	0	0	111.2	I797 D798 Y987 I991	I797-P989 HydrophobicContact CG2-CG 4.3Å; D798-P989 WeakPolarHBondContact O-CG 3.2Å; Y987-P989 HydrophobicContact CE1-CB 4.07Å; P989-I991 HydrophobicContact CB-CD1 4.39Å; P989-I991 HydrophobicContact CB-CG1 4.43Å; P989-I991 HydrophobicContact CG-CD1 3.92Å; P989-I991 HydrophobicContact CG-CG1 4.48Å; P989-I991 PolarHBondContact O-N 3.31Å
990	T	93.1	Very high	91.6	Very high	117 Å²	117	60.1 Å²	60.1	72%	0.718	33%	0.334	S	S	*	.			trans	-71.3	124.4	171.1	-58.2	0	0	0	0	109.2	N999	T990-N999 PolarHBondContact O-ND2 2.76Å
991	I	93.7	Very high	91.2	Very high	45 Å²	45	65.6 Å²	65.6	23%	0.231	36%	0.363	C	S	.	.			trans	-137.3	112.9	-177.3	-63.2	159.4	0	0	0	107	P747 L799 P989 D996	P747-I991 HydrophobicContact CB-CD1 3.92Å; P747-I991 HydrophobicContact CB-CG1 4.22Å; P747-I991 HydrophobicContact CB-CG2 4.4Å; P747-I991 HydrophobicContact CG-CD1 3.56Å; P747-I991 HydrophobicContact CG-CG1 4.4Å; L799-I991 HydrophobicContact CB-CD1 3.93Å; P989-I991 HydrophobicContact CB-CD1 4.39Å; P989-I991 HydrophobicContact CB-CG1 4.43Å; P989-I991 HydrophobicContact CG-CD1 3.92Å; P989-I991 HydrophobicContact CG-CG1 4.48Å; P989-I991 PolarHBondContact O-N 3.31Å; I991-D996 HydrophobicContact CG2-CB 4.15Å
992	S	91.5	Very high	90.6	Very high	91 Å²	91	69.6 Å²	69.6	64%	0.636	39%	0.393	S	S	*	.	S	Bend	trans	-79.6	-35.1	-175.9	62.4	0	0	0	0	113.7	D996	S992-D996 WeakPolarHBondContact CB-OD2 3.2Å; S992-D996 PolarHBondContact N-OD2 3.47Å; S992-D996 PolarHBondContact OG-OD2 2.98Å
993	H	91.2	Very high	90.2	Very high	98 Å²	98	63.3 Å²	63.3	45%	0.454	37%	0.369	S	S	.	.	S	Bend	trans	-155.4	163.5	-179.2	61.4	38.3	0	0	0	112.3	M995 D996	H993-M995 VanDerWaalsContact CE1-C 3.41Å; H993-M995 VanDerWaalsContact ND1-C 3.32Å; H993-M995 PolarHBondContact ND1-N 3.07Å; H993-M995 PolarHBondContact O-N 2.92Å; H993-D996 VanDerWaalsContact CE1-CA 3.47Å; H993-D996 WeakPolarHBondContact CE1-CA 3.37Å; H993-D996 PolarHBondContact CE1-N 3.44Å; H993-D996 WeakPolarHBondContact ND1-CA 3.09Å; H993-D996 WeakPolarHBondContact ND1-CB 3.32Å; H993-D996 PolarHBondContact ND1-N 3.48Å; H993-D996 WeakPolarHBondContact O-CB 3.33Å; H993-D996 PolarHBondContact O-N 2.81Å
994	P	88.4	Confident	89.5	Confident	51 Å²	51	66 Å²	66	33%	0.331	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.7	-174.1	-28	36.7	0	0	0	116.7	L691 F1051	L691-P994 HydrophobicContact CD1-CB 3.87Å; L691-P994 WeakPolarHBondContact CD1-O 3.38Å; P994-F1051 HydrophobicContact CB-CD1 3.99Å; P994-F1051 HydrophobicContact CB-CE1 3.72Å; P994-F1051 HydrophobicContact CB-CE2 4.28Å; P994-F1051 HydrophobicContact CB-CG 4.39Å; P994-F1051 HydrophobicContact CB-CZ 3.9Å; P994-F1051 HydrophobicContact CG-CD1 4.25Å; P994-F1051 HydrophobicContact CG-CE1 3.81Å; P994-F1051 HydrophobicContact CG-CZ 4.3Å
995	M	92.5	Very high	88.1	Confident	92 Å²	92	67 Å²	67	45%	0.453	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	17.1	176.1	-60.6	-178.3	-68.7	0	0	113.1	I669 L682 L691 H993 T997	I669-M995 HydrophobicContact CD1-CG 4.34Å; I669-M995 HydrophobicContact CD1-SD 3.79Å; L682-M995 HydrophobicContact CD2-CB 4Å; L682-M995 HydrophobicContact CD2-CG 4.39Å; L691-M995 HydrophobicContact CD1-CG 3.61Å; L691-M995 HydrophobicContact CD2-CG 3.95Å; L691-M995 HydrophobicContact CD2-SD 4.34Å; L691-M995 HydrophobicContact CG-CG 4.45Å; H993-M995 VanDerWaalsContact CE1-C 3.41Å; H993-M995 VanDerWaalsContact ND1-C 3.32Å; H993-M995 PolarHBondContact ND1-N 3.07Å; H993-M995 PolarHBondContact O-N 2.92Å; M995-T997 PolarHBondContact O-N 2.8Å
996	D	92.3	Very high	86.2	Confident	14 Å²	14	75.6 Å²	75.6	8%	0.075	42%	0.419	C	S	.	.			trans	-74.7	123.5	-172	-171	-12.3	0	0	0	111.1	Y745 I991 S992 H993 S998	Y745-D996 PolarHBondContact OH-O 2.99Å; I991-D996 HydrophobicContact CG2-CB 4.15Å; S992-D996 WeakPolarHBondContact CB-OD2 3.2Å; S992-D996 PolarHBondContact N-OD2 3.47Å; S992-D996 PolarHBondContact OG-OD2 2.98Å; H993-D996 VanDerWaalsContact CE1-CA 3.47Å; H993-D996 WeakPolarHBondContact CE1-CA 3.37Å; H993-D996 PolarHBondContact CE1-N 3.44Å; H993-D996 WeakPolarHBondContact ND1-CA 3.09Å; H993-D996 WeakPolarHBondContact ND1-CB 3.32Å; H993-D996 PolarHBondContact ND1-N 3.48Å; H993-D996 WeakPolarHBondContact O-CB 3.33Å; H993-D996 PolarHBondContact O-N 2.81Å; D996-S998 WeakPolarHBondContact OD1-CB 3.34Å; D996-S998 PolarHBondContact OD1-N 3.2Å; D996-S998 PolarHBondContact OD1-OG 2.93Å; D996-S998 PolarHBondContact OD2-OG 3Å
997	T	92.7	Very high	84.1	Confident	17 Å²	17	73.9 Å²	73.9	10%	0.104	41%	0.409	C	S	.	.			trans	-117.5	19.1	-176	49.7	0	0	0	0	112.5	K670 L672 L682 Y745 M995 N999 F1000	K670-T997 HydrophobicContact CD-CG2 4.21Å; K670-T997 VanDerWaalsContact CD-OG1 3.31Å; K670-T997 WeakPolarHBondContact CD-OG1 3.39Å; K670-T997 PolarHBondContact NZ-OG1 3.26Å; L672-T997 HydrophobicContact CD2-CG2 3.49Å; L672-T997 VanDerWaalsContact CD2-CG2 3.49Å; L682-T997 HydrophobicContact CD2-CG2 4.19Å; Y745-T997 WeakPolarHBondContact OH-CG2 3.33Å; M995-T997 PolarHBondContact O-N 2.8Å; T997-N999 VanDerWaalsContact C-N 3.27Å; T997-N999 PolarHBondContact O-N 2.93Å; T997-F1000 PolarHBondContact O-N 3.03Å
998	S	90.4	Very high	82	Confident	81 Å²	81	76.5 Å²	76.5	57%	0.566	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.1	178.7	55.6	0	0	0	0	114.2	D996 F1000	D996-S998 WeakPolarHBondContact OD1-CB 3.34Å; D996-S998 PolarHBondContact OD1-N 3.2Å; D996-S998 PolarHBondContact OD1-OG 2.93Å; D996-S998 PolarHBondContact OD2-OG 3Å; S998-F1000 VanDerWaalsContact C-N 3.27Å; S998-F1000 PolarHBondContact O-N 2.69Å
999	N	90.3	Very high	80	Confident	9 Å²	9	75.6 Å²	75.6	5%	0.048	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	13.1	171.1	-61.1	-68.6	0	0	0	113.8	P747 G748 G749 R757 T990 T997	P747-N999 PolarHBondContact O-ND2 3.21Å; G748-N999 VanDerWaalsContact C-CB 3.47Å; G748-N999 WeakPolarHBondContact O-CB 3.46Å; G749-N999 WeakPolarHBondContact CA-O 3.46Å; R757-N999 PolarHBondContact NH1-OD1 3.49Å; R757-N999 PolarHBondContact NH2-OD1 2.86Å; T990-N999 PolarHBondContact O-ND2 2.76Å; T997-N999 VanDerWaalsContact C-N 3.27Å; T997-N999 PolarHBondContact O-N 2.93Å
1000	F	86.8	Confident	77.7	Confident	37 Å²	37	79.9 Å²	79.9	16%	0.162	44%	0.442	C	S	.	.	S	Bend	trans	-120.6	142.8	174.7	-65.6	-99.7	0	0	0	109.8	L672 Y745 I746 T997 S998	L672-F1000 HydrophobicContact CB-CD1 4.06Å; L672-F1000 HydrophobicContact CB-CE1 4.13Å; L672-F1000 HydrophobicContact CD1-CE1 4.33Å; L672-F1000 HydrophobicContact CD1-CZ 4.39Å; L672-F1000 HydrophobicContact CD2-CD1 4.1Å; L672-F1000 HydrophobicContact CD2-CD2 4.12Å; L672-F1000 HydrophobicContact CD2-CE1 4.15Å; L672-F1000 HydrophobicContact CD2-CE2 4.17Å; L672-F1000 HydrophobicContact CD2-CG 4.08Å; L672-F1000 HydrophobicContact CD2-CZ 4.18Å; L672-F1000 HydrophobicContact CG-CE1 4.43Å; Y745-F1000 AromaticContact CE2-CE2 3.91Å; Y745-F1000 HydrophobicContact CE2-CE2 3.91Å; Y745-F1000 AromaticContact CE2-CZ 3.86Å; Y745-F1000 HydrophobicContact CE2-CZ 3.86Å; I746-F1000 VanDerWaalsContact O-CZ 3.3Å; I746-F1000 WeakPolarHBondContact O-CZ 3.43Å; T997-F1000 PolarHBondContact O-N 3.03Å; S998-F1000 VanDerWaalsContact C-N 3.27Å; S998-F1000 PolarHBondContact O-N 2.69Å
1001	D	81.6	Confident	75.3	Confident	116 Å²	116	81.3 Å²	81.3	62%	0.62	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-57.3	141.1	173.9	-76.5	-24.2	0	0	0	111.8	V1003	D1001-V1003 PolarHBondContact O-N 2.85Å
1002	P	79.9	Confident	73	Confident	116 Å²	116	81.2 Å²	81.2	75%	0.753	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-58.6	124.3	170.8	-23.5	34.4	0	0	0	111.3
1003	V	79.5	Confident	70.9	Confident	35 Å²	35	81.3 Å²	81.3	21%	0.212	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-99.6	119.8	174.3	-178.9	0	0	0	0	109	T671 I674 D1001 E1005	T671-V1003 HydrophobicContact CG2-CB 4.38Å; T671-V1003 HydrophobicContact CG2-CG1 3.9Å; T671-V1003 HydrophobicContact CG2-CG2 4.45Å; I674-V1003 HydrophobicContact CD1-CG1 3.52Å; I674-V1003 HydrophobicContact CG1-CG1 3.77Å; D1001-V1003 PolarHBondContact O-N 2.85Å; V1003-E1005 PolarHBondContact O-N 3.19Å; V1003-E1005 VanDerWaalsContact O-N 3.16Å
1004	D	74.2	Confident	68.7	Low	133 Å²	133	84.3 Å²	84.3	71%	0.711	47%	0.466	S	S	*	.			trans	-59.4	115.2	174.5	-62.3	-42.7	0	0	0	110.9	E1006 S1007	D1004-E1006 PolarHBondContact O-N 3.43Å; D1004-S1007 WeakPolarHBondContact O-CB 3.06Å; D1004-S1007 PolarHBondContact O-N 3.3Å; D1004-S1007 VanDerWaalsContact O-N 3.11Å
1005	E	62	Low	66.3	Low	141 Å²	141	84.8 Å²	84.8	66%	0.659	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-16.8	-176.4	-58.6	-155.2	131.1	0	0	113.2	V1003 S1007	V1003-E1005 PolarHBondContact O-N 3.19Å; V1003-E1005 VanDerWaalsContact O-N 3.16Å; E1005-S1007 PolarHBondContact O-N 2.85Å
1006	E	53.3	Low	63.9	Low	190 Å²	190	82.4 Å²	82.4	89%	0.888	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	0.4	171.3	-58.9	-167.6	151.2	0	0	113.6	D1004	D1004-E1006 PolarHBondContact O-N 3.43Å
1007	S	51.1	Low	61.7	Low	35 Å²	35	84.3 Å²	84.3	25%	0.245	49%	0.49	C	S	.	.	S	Bend	trans	-56.8	130.9	178.9	-163.3	0	0	0	0	111.7	I674 D1004 E1005 W1009	I674-S1007 VanDerWaalsContact CD1-CB 3.49Å; I674-S1007 WeakPolarHBondContact CD1-OG 3.34Å; D1004-S1007 WeakPolarHBondContact O-CB 3.06Å; D1004-S1007 PolarHBondContact O-N 3.3Å; D1004-S1007 VanDerWaalsContact O-N 3.11Å; E1005-S1007 PolarHBondContact O-N 2.85Å; S1007-W1009 PolarHBondContact O-N 3.09Å
1008	P	49.8	Very low	59.2	Low	102 Å²	102	91.5 Å²	91.5	66%	0.662	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	17.6	-170.5	-27.1	35.9	0	0	0	118.7
1009	W	52.7	Low	56.9	Low	61 Å²	61	90.1 Å²	90.1	23%	0.231	51%	0.513	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-28.1	175.4	-74.1	84.6	0	0	0	113.4	I674 G678 R698 S1007	I674-W1009 HydrophobicContact CG2-CZ2 4.42Å; I674-W1009 VanDerWaalsContact CG2-NE1 3.27Å; G678-W1009 VanDerWaalsContact CA-CZ3 3.46Å; G678-W1009 VanDerWaalsContact N-CZ3 3.31Å; R698-W1009 HydrophobicContact CG-CZ3 4.22Å; S1007-W1009 PolarHBondContact O-N 3.09Å
1010	N	45.8	Very low	54.6	Low	96 Å²	96	94.9 Å²	94.9	51%	0.513	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-59.5	178.5	-69.2	-38.4	0	0	0	112.1	A1012 S1013	N1010-A1012 VanDerWaalsContact C-N 3.3Å; N1010-A1012 PolarHBondContact O-N 2.8Å; N1010-S1013 VanDerWaalsContact O-CB 3.32Å; N1010-S1013 WeakPolarHBondContact O-CB 3.48Å; N1010-S1013 PolarHBondContact O-N 2.77Å
1011	D	42.6	Very low	52.6	Low	148 Å²	148	99.2 Å²	99.2	79%	0.791	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-19.7	-168.9	-70.7	-14.3	0	0	0	115.2	S1013	D1011-S1013 PolarHBondContact O-N 3.2Å
1012	A	44.2	Very low	50.6	Low	43 Å²	43	99.4 Å²	99.4	36%	0.355	56%	0.561	S	S	.	*	H	α-helix	trans	-63.2	-12.8	175.3	0	0	0	0	0	113.7	N1010 S1016	N1010-A1012 VanDerWaalsContact C-N 3.3Å; N1010-A1012 PolarHBondContact O-N 2.8Å; A1012-S1016 WeakPolarHBondContact O-CB 3.35Å; A1012-S1016 PolarHBondContact O-N 3.3Å
1013	S	47.9	Very low	48.5	Very low	92 Å²	92	100.1 Å²	100.1	64%	0.643	56%	0.558	S	S	*	*	H	α-helix	trans	-58.7	-54.3	-174.3	-171.6	0	0	0	0	113.8	N1010 D1011	N1010-S1013 VanDerWaalsContact O-CB 3.32Å; N1010-S1013 WeakPolarHBondContact O-CB 3.48Å; N1010-S1013 PolarHBondContact O-N 2.77Å; D1011-S1013 PolarHBondContact O-N 3.2Å
1014	E	45.2	Very low	46.4	Very low	162 Å²	162	102.6 Å²	102.6	76%	0.757	57%	0.573	S	S	*	*	H	α-helix	trans	-90.6	-43.7	-172.6	-62.1	-152.5	136	0	0	113.6	S1016	E1014-S1016 PolarHBondContact O-N 3.16Å
1015	G	38.1	Very low	44.5	Very low	60 Å²	60	99.7 Å²	99.7	62%	0.619	56%	0.563	S	S	*	*	H	α-helix	trans	-65.8	-37.2	-177.4	0	0	0	0	0	113.1
1016	S	42.2	Very low	43.3	Very low	42 Å²	42	99 Å²	99	29%	0.294	57%	0.571	S	S	.	*	H	α-helix	trans	-72.2	-39.4	-178.6	-153.3	0	0	0	0	112.1	A1012 E1014 K1018 A1019 W1020	A1012-S1016 WeakPolarHBondContact O-CB 3.35Å; A1012-S1016 PolarHBondContact O-N 3.3Å; E1014-S1016 PolarHBondContact O-N 3.16Å; S1016-K1018 VanDerWaalsContact C-N 3.33Å; S1016-K1018 PolarHBondContact O-N 3.15Å; S1016-A1019 PolarHBondContact O-N 3.4Å; S1016-W1020 VanDerWaalsContact O-CD1 3.27Å; S1016-W1020 PolarHBondContact O-N 3.04Å; S1016-W1020 VanDerWaalsContact OG-CD1 3.31Å; S1016-W1020 PolarHBondContact OG-NE1 2.72Å
1017	A	45	Very low	42.6	Very low	55 Å²	55	93.7 Å²	93.7	46%	0.455	56%	0.555	S	S	.	*	H	α-helix	trans	-51.7	-48.3	-173	0	0	0	0	0	113.1	A1019 W1020 D1021	A1017-A1019 PolarHBondContact O-N 2.98Å; A1017-W1020 PolarHBondContact O-N 3.18Å; A1017-D1021 PolarHBondContact O-N 2.88Å
1018	K	41.7	Very low	42.1	Very low	168 Å²	168	96.7 Å²	96.7	73%	0.73	57%	0.568	S	S	*	*	H	α-helix	trans	-67.3	-32.6	-178.9	-63.1	175.8	-177.7	170.5	0	113.4	S1016 T1022	S1016-K1018 VanDerWaalsContact C-N 3.33Å; S1016-K1018 PolarHBondContact O-N 3.15Å; K1018-T1022 PolarHBondContact O-OG1 2.92Å
1019	A	40.3	Very low	42.2	Very low	51 Å²	51	99.6 Å²	99.6	42%	0.421	57%	0.57	S	S	.	*	H	α-helix	trans	-70.9	-31.1	177.5	0	0	0	0	0	112.7	S1016 A1017	S1016-A1019 PolarHBondContact O-N 3.4Å; A1017-A1019 PolarHBondContact O-N 2.98Å
1020	W	42	Very low	42.2	Very low	110 Å²	110	100.8 Å²	100.8	42%	0.417	58%	0.578	S	S	.	*	H	α-helix	trans	-82.3	-37.3	-176	-78.5	85.1	0	0	0	113.9	K700 S1016 A1017 T1022 L1023 T1024	K700-W1020 VanDerWaalsContact NZ-CD2 3.32Å; K700-W1020 VanDerWaalsContact NZ-CG 3.28Å; S1016-W1020 VanDerWaalsContact O-CD1 3.27Å; S1016-W1020 PolarHBondContact O-N 3.04Å; S1016-W1020 VanDerWaalsContact OG-CD1 3.31Å; S1016-W1020 PolarHBondContact OG-NE1 2.72Å; A1017-W1020 PolarHBondContact O-N 3.18Å; W1020-T1022 PolarHBondContact O-N 3.39Å; W1020-L1023 PolarHBondContact O-N 2.86Å; W1020-T1024 PolarHBondContact O-N 2.91Å; W1020-T1024 PolarHBondContact O-OG1 2.93Å
1021	D	45.2	Very low	42.8	Very low	127 Å²	127	98 Å²	98	68%	0.679	57%	0.565	S	S	*	*	H	α-helix	trans	-60.8	-27.8	172.2	-75.7	-22.4	0	0	0	112	A1017 T1024	A1017-D1021 PolarHBondContact O-N 2.88Å; D1021-T1024 PolarHBondContact O-OG1 3.38Å; D1021-T1024 VanDerWaalsContact O-OG1 3.08Å
1022	T	40.1	Very low	43.5	Very low	120 Å²	120	94.7 Å²	94.7	74%	0.736	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-18.2	176.7	-49.9	0	0	0	0	113.1	K1018 W1020	K1018-T1022 PolarHBondContact O-OG1 2.92Å; W1020-T1022 PolarHBondContact O-N 3.39Å
1023	L	36.3	Very low	44.5	Very low	132 Å²	132	93.3 Å²	93.3	69%	0.691	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-3.9	-177.3	-71.7	172.2	0	0	0	114.1	W1020 S1025	W1020-L1023 PolarHBondContact O-N 2.86Å; L1023-S1025 VanDerWaalsContact C-N 3.29Å; L1023-S1025 PolarHBondContact O-N 3.27Å
1024	T	35.4	Very low	45.4	Very low	86 Å²	86	89 Å²	89	53%	0.528	50%	0.501	S	S	.	.			trans	-72.4	77.6	173.8	38	0	0	0	0	112.7	W1020 D1021	W1020-T1024 PolarHBondContact O-N 2.91Å; W1020-T1024 PolarHBondContact O-OG1 2.93Å; D1021-T1024 PolarHBondContact O-OG1 3.38Å; D1021-T1024 VanDerWaalsContact O-OG1 3.08Å
1025	S	33.3	Very low	47	Very low	73 Å²	73	82.3 Å²	82.3	51%	0.51	47%	0.47	S	S	.	.			trans	-57.2	133.4	166.3	-173.3	0	0	0	0	110.4	L1023 S1027 N1028	L1023-S1025 VanDerWaalsContact C-N 3.29Å; L1023-S1025 PolarHBondContact O-N 3.27Å; S1025-S1027 PolarHBondContact O-N 3.04Å; S1025-N1028 PolarHBondContact O-N 2.99Å
1026	P	37.9	Very low	48.5	Very low	126 Å²	126	82.9 Å²	82.9	82%	0.818	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-2.4	-171.9	-26.7	35.3	0	0	0	117
1027	S	37.8	Very low	49.9	Very low	79 Å²	79	82.2 Å²	82.2	55%	0.552	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-14.9	178.4	66.3	0	0	0	0	114.1	S1025 K1029	S1025-S1027 PolarHBondContact O-N 3.04Å; S1027-K1029 VanDerWaalsContact C-N 3.26Å; S1027-K1029 PolarHBondContact O-N 3.09Å
1028	N	41.8	Very low	51.7	Low	97 Å²	97	79.7 Å²	79.7	52%	0.519	43%	0.425	S	S	.	.			trans	-83.5	69.4	178	-97.4	-15.8	0	0	0	112.8	K825 S1025 H1030	K825-N1028 PolarHBondContact NZ-OD1 3.02Å; S1025-N1028 PolarHBondContact O-N 2.99Å; N1028-H1030 VanDerWaalsContact C-N 3.31Å; N1028-H1030 PolarHBondContact O-CD2 3.01Å; N1028-H1030 VanDerWaalsContact O-CD2 3.28Å; N1028-H1030 PolarHBondContact O-N 3.2Å
1029	K	51	Low	53.7	Low	163 Å²	163	75.7 Å²	75.7	71%	0.709	41%	0.414	S	S	*	.			trans	-65.6	89.5	163	-61.2	-178.5	-177.4	-179.4	0	109.5	S1027	S1027-K1029 VanDerWaalsContact C-N 3.26Å; S1027-K1029 PolarHBondContact O-N 3.09Å
1030	H	53.6	Low	55.8	Low	87 Å²	87	75.3 Å²	75.3	40%	0.403	40%	0.403	S	S	.	.			trans	-59.1	160.2	164.7	-67.3	-87.8	0	0	0	110	L703 N1028 E1032	L703-H1030 HydrophobicContact CD1-CB 4.41Å; N1028-H1030 VanDerWaalsContact C-N 3.31Å; N1028-H1030 PolarHBondContact O-CD2 3.01Å; N1028-H1030 VanDerWaalsContact O-CD2 3.28Å; N1028-H1030 PolarHBondContact O-N 3.2Å; H1030-E1032 PolarHBondContact O-N 3.5Å
1031	P	58	Low	57.8	Low	38 Å²	38	71.7 Å²	71.7	25%	0.247	39%	0.389	C	S	.	.			trans	-65.7	95.1	178.5	-17.6	31.5	0	0	0	110.7	Y823 H1033 A1034	Y823-P1031 HydrophobicContact CD1-CB 4.42Å; P1031-H1033 PolarHBondContact O-N 2.91Å; P1031-A1034 HydrophobicContact CB-CB 4.35Å; P1031-A1034 WeakPolarHBondContact O-CB 3.48Å; P1031-A1034 PolarHBondContact O-N 3.1Å
1032	E	56.1	Low	59.4	Low	77 Å²	77	66.2 Å²	66.2	36%	0.36	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-15.5	-176.8	-63.7	172.4	169.7	0	0	114.2	S596 A599 H1030 Y1036	S596-E1032 WeakPolarHBondContact CB-OE2 3.39Å; S596-E1032 PolarHBondContact N-OE2 3.29Å; S596-E1032 PolarHBondContact OG-OE2 2.8Å; A599-E1032 HydrophobicContact CB-CB 4.23Å; H1030-E1032 PolarHBondContact O-N 3.5Å; E1032-Y1036 WeakPolarHBondContact O-CE2 3.41Å; E1032-Y1036 PolarHBondContact O-OH 2.98Å
1033	H	65.9	Low	60.5	Low	14 Å²	14	62 Å²	62	7%	0.065	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-2.6	-174.9	60.9	-84.5	0	0	0	115.3	Y598 A599 F602 Y822 P1031 F1035 Y1036	Y598-H1033 AromaticContact CD1-CE1 3.87Å; Y598-H1033 AromaticContact CE1-CE1 3.89Å; A599-H1033 HydrophobicContact CB-CB 3.84Å; F602-H1033 HydrophobicContact CD1-CB 3.75Å; F602-H1033 AromaticContact CD1-CD2 3.97Å; F602-H1033 AromaticContact CD2-CD2 3.78Å; F602-H1033 HydrophobicContact CE1-CB 4.17Å; F602-H1033 AromaticContact CE2-CD2 3.96Å; F602-H1033 HydrophobicContact CG-CB 4.22Å; F602-H1033 AromaticContact CG-CD2 3.79Å; Y822-H1033 AromaticContact CE1-NE2 3.57Å; P1031-H1033 PolarHBondContact O-N 2.91Å; H1033-F1035 PolarHBondContact O-N 3.48Å; H1033-Y1036 VanDerWaalsContact CA-CD2 3.48Å; H1033-Y1036 VanDerWaalsContact CA-CE2 3.46Å; H1033-Y1036 HydrophobicContact CB-CD2 3.77Å; H1033-Y1036 HydrophobicContact CB-CE2 3.84Å; H1033-Y1036 PolarHBondContact O-N 3.29Å
1034	A	67.4	Low	61.7	Low	2 Å²	2	59.4 Å²	59.4	2%	0.017	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-41.5	-177.6	0	0	0	0	0	113.7	L703 V708 K712 P1031	L703-A1034 HydrophobicContact CD2-CB 4.48Å; V708-A1034 HydrophobicContact CG1-CB 3.6Å; V708-A1034 HydrophobicContact CG2-CB 4.07Å; K712-A1034 VanDerWaalsContact CE-O 3.27Å; K712-A1034 WeakPolarHBondContact CE-O 3.49Å; P1031-A1034 HydrophobicContact CB-CB 4.35Å; P1031-A1034 WeakPolarHBondContact O-CB 3.48Å; P1031-A1034 PolarHBondContact O-N 3.1Å
1035	F	78.8	Confident	62.6	Low	21 Å²	21	56.8 Å²	56.8	9%	0.092	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	12	-167.8	-49.7	-57.2	0	0	0	115.1	K699 V702 L703 V708 Q734 L739 H1033 E1037 F1038	K699-F1035 HydrophobicContact CB-CE2 4.14Å; K699-F1035 HydrophobicContact CD-CD2 4.21Å; K699-F1035 HydrophobicContact CD-CE2 4.4Å; K699-F1035 HydrophobicContact CG-CD2 4.34Å; K699-F1035 HydrophobicContact CG-CE2 4.13Å; V702-F1035 HydrophobicContact CG1-CE1 4.24Å; V702-F1035 HydrophobicContact CG1-CZ 3.99Å; L703-F1035 HydrophobicContact CD1-CE2 4.19Å; L703-F1035 HydrophobicContact CD2-CE2 4.16Å; L703-F1035 HydrophobicContact CD2-CZ 4.3Å; L703-F1035 HydrophobicContact CG-CE2 4.03Å; L703-F1035 HydrophobicContact CG-CZ 4.23Å; V708-F1035 HydrophobicContact CG1-CE1 4.25Å; V708-F1035 HydrophobicContact CG2-CE1 4.36Å; V708-F1035 HydrophobicContact CG2-CZ 4.1Å; Q734-F1035 PolarHBondContact NE2-O 3.47Å; L739-F1035 HydrophobicContact CD1-CD1 3.81Å; L739-F1035 HydrophobicContact CD1-CE1 3.59Å; L739-F1035 HydrophobicContact CD1-CG 4.48Å; L739-F1035 HydrophobicContact CD1-CZ 4.07Å; L739-F1035 HydrophobicContact CD2-CB 4.33Å; L739-F1035 HydrophobicContact CD2-CD1 4.1Å; L739-F1035 HydrophobicContact CD2-CG 4.07Å; H1033-F1035 PolarHBondContact O-N 3.48Å; F1035-E1037 PolarHBondContact O-N 2.9Å; F1035-F1038 HydrophobicContact CB-CB 4.18Å; F1035-F1038 WeakPolarHBondContact O-CB 3.47Å; F1035-F1038 PolarHBondContact O-N 3.26Å
1036	Y	69.5	Low	63.3	Low	73 Å²	73	58.3 Å²	58.3	29%	0.286	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-42.9	-178.5	-84.8	-52.4	0	0	0	112.9	Y595 A599 F603 E1032 H1033	Y595-Y1036 WeakPolarHBondContact CD1-OH 3.46Å; Y595-Y1036 HydrophobicContact CE1-CE1 4.15Å; Y595-Y1036 AromaticContact CE1-CZ 3.74Å; Y595-Y1036 WeakPolarHBondContact CE1-OH 3.43Å; A599-Y1036 HydrophobicContact CB-CE2 4.42Å; F603-Y1036 HydrophobicContact CD2-CG 4.35Å; E1032-Y1036 WeakPolarHBondContact O-CE2 3.41Å; E1032-Y1036 PolarHBondContact O-OH 2.98Å; H1033-Y1036 VanDerWaalsContact CA-CD2 3.48Å; H1033-Y1036 VanDerWaalsContact CA-CE2 3.46Å; H1033-Y1036 HydrophobicContact CB-CD2 3.77Å; H1033-Y1036 HydrophobicContact CB-CE2 3.84Å; H1033-Y1036 PolarHBondContact O-N 3.29Å
1037	E	71.3	Confident	63.6	Low	28 Å²	28	59.6 Å²	59.6	13%	0.131	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	46.3	174.9	-56.1	-163.5	158.5	0	0	111.4	Q606 N610 K712 R715 F1035 T1039	Q606-E1037 WeakPolarHBondContact CG-OE1 3.22Å; Q606-E1037 WeakPolarHBondContact CG-OE2 3.39Å; N610-E1037 PolarHBondContact ND2-OE1 3.13Å; N610-E1037 PolarHBondContact ND2-OE2 3.14Å; K712-E1037 VanDerWaalsContact NZ-C 3.33Å; K712-E1037 PolarHBondContact NZ-O 3.02Å; R715-E1037 PolarHBondContact NE-O 2.9Å; R715-E1037 PolarHBondContact NH1-O 3.48Å; F1035-E1037 PolarHBondContact O-N 2.9Å; E1037-T1039 VanDerWaalsContact C-N 3.34Å
1038	F	82	Confident	63.9	Low	1 Å²	1	56 Å²	56	0%	0.004	28%	0.275	C	S	.	.			trans	-77.9	-25.1	164.8	-170.7	-96.9	0	0	0	111.5	V711 R715 S732 F733 Q734 L739 Y740 F741 F1035	V711-F1038 HydrophobicContact CG1-CD2 4.3Å; V711-F1038 HydrophobicContact CG1-CE2 3.74Å; R715-F1038 HydrophobicContact CB-CE2 4.44Å; R715-F1038 WeakPolarHBondContact CD-O 3.23Å; R715-F1038 HydrophobicContact CG-CE2 4.5Å; S732-F1038 PolarHBondContact OG-O 3.41Å; F733-F1038 WeakPolarHBondContact O-CD1 3.15Å; F733-F1038 WeakPolarHBondContact O-CE1 3.19Å; Q734-F1038 HydrophobicContact CB-CD1 4.3Å; L739-F1038 HydrophobicContact CB-CD1 4.23Å; L739-F1038 HydrophobicContact CB-CE1 3.77Å; L739-F1038 HydrophobicContact CB-CE2 4.25Å; L739-F1038 HydrophobicContact CB-CZ 3.8Å; L739-F1038 HydrophobicContact CD1-CD2 4.33Å; L739-F1038 HydrophobicContact CD1-CE2 4.3Å; L739-F1038 HydrophobicContact CD2-CB 4.33Å; L739-F1038 HydrophobicContact CD2-CD1 3.83Å; L739-F1038 HydrophobicContact CD2-CD2 4.23Å; L739-F1038 HydrophobicContact CD2-CE1 4.26Å; L739-F1038 HydrophobicContact CD2-CG 3.82Å; Y740-F1038 WeakPolarHBondContact O-CE1 3.49Å; F741-F1038 HydrophobicContact CD1-CZ 4.35Å; F741-F1038 AromaticContact CD2-CZ 3.84Å; F741-F1038 HydrophobicContact CD2-CZ 3.84Å; F741-F1038 HydrophobicContact CE1-CE2 4.19Å; F741-F1038 HydrophobicContact CE1-CZ 4.12Å; F741-F1038 AromaticContact CE2-CE2 3.85Å; F741-F1038 HydrophobicContact CE2-CE2 3.85Å; F741-F1038 AromaticContact CE2-CZ 3.55Å; F741-F1038 HydrophobicContact CE2-CZ 3.55Å; F741-F1038 HydrophobicContact CG-CZ 4.24Å; F741-F1038 AromaticContact CZ-CE2 3.65Å; F741-F1038 HydrophobicContact CZ-CE2 3.65Å; F741-F1038 AromaticContact CZ-CZ 3.72Å; F741-F1038 HydrophobicContact CZ-CZ 3.72Å; F1035-F1038 HydrophobicContact CB-CB 4.18Å; F1035-F1038 WeakPolarHBondContact O-CB 3.47Å; F1035-F1038 PolarHBondContact O-N 3.26Å
1039	T	83.6	Confident	64	Low	84 Å²	84	60.5 Å²	60.5	52%	0.515	29%	0.286	S	S	.	.			trans	-76.1	126.3	-175.7	-47.1	0	0	0	0	112.8	S732 E1037	S732-T1039 CarbonylContact O-C 3.58Å; S732-T1039 WeakPolarHBondContact O-CA 3.4Å; S732-T1039 WeakPolarHBondContact O-CG2 3.37Å; E1037-T1039 VanDerWaalsContact C-N 3.34Å
1040	F	85.4	Confident	63.9	Low	43 Å²	43	54.6 Å²	54.6	19%	0.189	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	154.3	175.1	172.3	-100.3	0	0	0	111	A719 L729 Y731 S732 R1042	A719-F1040 HydrophobicContact CB-CD1 4.12Å; A719-F1040 HydrophobicContact CB-CD2 3.72Å; A719-F1040 HydrophobicContact CB-CE1 4.04Å; A719-F1040 HydrophobicContact CB-CE2 3.65Å; A719-F1040 HydrophobicContact CB-CG 3.96Å; A719-F1040 HydrophobicContact CB-CZ 3.8Å; L729-F1040 HydrophobicContact CD2-CD1 3.75Å; L729-F1040 HydrophobicContact CD2-CE1 4.26Å; L729-F1040 HydrophobicContact CD2-CG 4.47Å; L729-F1040 HydrophobicContact CG-CD1 4.08Å; L729-F1040 HydrophobicContact CG-CE1 4.36Å; Y731-F1040 WeakPolarHBondContact CA-O 3.46Å; S732-F1040 PolarHBondContact N-O 3.39Å; S732-F1040 PolarHBondContact O-N 3.03Å; S732-F1040 WeakPolarHBondContact OG-CB 2.92Å; S732-F1040 PolarHBondContact OG-N 3.27Å; F1040-R1042 HydrophobicContact CE1-CB 4.05Å; F1040-R1042 HydrophobicContact CZ-CB 4.14Å
1041	R	82.6	Confident	63.4	Low	34 Å²	34	51.7 Å²	51.7	13%	0.128	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	128.7	167.9	-178.8	148.8	-167.2	166.1	6.6	108.9	Y730 Y731 D1045	Y730-R1041 CarbonylContact O-C 3.52Å; Y730-R1041 WeakPolarHBondContact O-CA 3.28Å; Y731-R1041 HydrophobicContact CD1-CB 4.41Å; Y731-R1041 HydrophobicContact CD1-CG 3.81Å; Y731-R1041 HydrophobicContact CE1-CG 4.09Å; R1041-D1045 IonicContact CZ-OD2 2.89Å; R1041-D1045 IonicContact NE-OD2 2.96Å; R1041-D1045 PolarHBondContact NE-OD2 3.03Å; R1041-D1045 IonicContact NH2-OD2 2.71Å; R1041-D1045 PolarHBondContact NH2-OD2 3.08Å
1042	R	80	Confident	62.8	Low	13 Å²	13	60.1 Å²	60.1	5%	0.049	28%	0.277	C	S	.	.			trans	-64.9	153.9	179.3	-164.9	167.6	-68.6	-103.7	-4.3	111.2	L718 A721 D722 L729 Y730 F1040 F1044	L718-R1042 PolarHBondContact O-NH2 2.91Å; A721-R1042 PolarHBondContact O-NH1 3.35Å; A721-R1042 PolarHBondContact O-NH2 3.09Å; A721-R1042 VanDerWaalsContact O-NH2 3.09Å; D722-R1042 IonicContact OD1-CZ 2.79Å; D722-R1042 IonicContact OD1-NH1 3.79Å; D722-R1042 PolarHBondContact OD1-NH1 3.05Å; L729-R1042 PolarHBondContact O-NE 3.17Å; L729-R1042 PolarHBondContact O-NH2 2.89Å; Y730-R1042 PolarHBondContact O-N 2.65Å; F1040-R1042 HydrophobicContact CE1-CB 4.05Å; F1040-R1042 HydrophobicContact CZ-CB 4.14Å; R1042-F1044 WeakPolarHBondContact CG-O 3.4Å
1043	F	62.1	Low	62	Low	31 Å²	31	60.6 Å²	60.6	14%	0.136	29%	0.288	C	S	.	.	S	Bend	trans	-77.2	-46.7	-177.8	-174.1	-89.3	0	0	0	112.3	E650 Y653	E650-F1043 HydrophobicContact CG-CE2 4.37Å; E650-F1043 HydrophobicContact CG-CZ 4.11Å; E650-F1043 WeakPolarHBondContact OE1-CE2 3.4Å; E650-F1043 VanDerWaalsContact OE1-CZ 3.24Å; E650-F1043 WeakPolarHBondContact OE1-CZ 3.42Å; Y653-F1043 AromaticContact CD1-CD2 3.32Å; Y653-F1043 HydrophobicContact CD1-CD2 3.32Å; Y653-F1043 AromaticContact CD1-CE2 3.49Å; Y653-F1043 HydrophobicContact CD1-CE2 3.49Å; Y653-F1043 VanDerWaalsContact CD1-CE2 3.49Å; Y653-F1043 HydrophobicContact CD2-CB 4.42Å; Y653-F1043 AromaticContact CD2-CD2 3.84Å; Y653-F1043 HydrophobicContact CD2-CD2 3.84Å; Y653-F1043 HydrophobicContact CD2-CE2 4.49Å; Y653-F1043 HydrophobicContact CD2-CG 4.41Å; Y653-F1043 AromaticContact CE1-CD2 3.63Å; Y653-F1043 HydrophobicContact CE1-CD2 3.63Å; Y653-F1043 HydrophobicContact CE1-CE2 4.17Å; Y653-F1043 HydrophobicContact CE2-CB 4.3Å; Y653-F1043 HydrophobicContact CE2-CD2 4.15Å; Y653-F1043 AromaticContact CG-CD2 3.41Å; Y653-F1043 HydrophobicContact CG-CD2 3.41Å; Y653-F1043 VanDerWaalsContact CG-CD2 3.41Å; Y653-F1043 AromaticContact CG-CE2 3.65Å; Y653-F1043 HydrophobicContact CG-CE2 3.65Å; Y653-F1043 HydrophobicContact CG-CG 4.33Å
1044	F	62.1	Low	60.4	Low	78 Å²	78	64.4 Å²	64.4	34%	0.342	31%	0.314	S	S	.	.			trans	-92.4	105.6	167.8	-60.4	-66.5	0	0	0	107.9	K649 R1042	K649-F1044 HydrophobicContact CD-CE1 4.48Å; R1042-F1044 WeakPolarHBondContact CG-O 3.4Å
1045	D	54	Low	58.5	Low	31 Å²	31	72.7 Å²	72.7	17%	0.166	35%	0.35	C	S	.	.			trans	-114.2	85.1	173.9	-171.5	11.3	0	0	0	102.7	Y731 R1041 N1047	Y731-D1045 WeakPolarHBondContact CE1-OD2 3.4Å; Y731-D1045 VanDerWaalsContact OH-CG 3.26Å; Y731-D1045 PolarHBondContact OH-OD1 3.1Å; Y731-D1045 PolarHBondContact OH-OD2 2.9Å; Y731-D1045 VanDerWaalsContact OH-OD2 3.05Å; R1041-D1045 IonicContact CZ-OD2 2.89Å; R1041-D1045 IonicContact NE-OD2 2.96Å; R1041-D1045 PolarHBondContact NE-OD2 3.03Å; R1041-D1045 IonicContact NH2-OD2 2.71Å; R1041-D1045 PolarHBondContact NH2-OD2 3.08Å; D1045-N1047 PolarHBondContact O-N 3.14Å
1046	D	48.8	Very low	56.1	Low	104 Å²	104	77 Å²	77	56%	0.556	38%	0.38	S	S	*	.			trans	-76.2	64.9	-162.3	-66.5	-55.2	0	0	0	112.1	G1048	D1046-G1048 PolarHBondContact O-N 2.99Å
1047	N	43	Very low	54.5	Low	154 Å²	154	80.1 Å²	80.1	82%	0.824	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	19.9	171.4	-88.5	40.9	0	0	0	117.5	D1045	D1045-N1047 PolarHBondContact O-N 3.14Å
1048	G	44	Very low	52.9	Low	4 Å²	4	82.4 Å²	82.4	4%	0.041	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.6	20.8	165.3	0	0	0	0	0	116.7	A690 D1046 P1050	A690-G1048 WeakPolarHBondContact CB-O 3.16Å; D1046-G1048 PolarHBondContact O-N 2.99Å; G1048-P1050 VanDerWaalsContact O-CD 3.32Å; G1048-P1050 WeakPolarHBondContact O-CD 3.43Å
1049	Y	44.7	Very low	50.5	Low	191 Å²	191	86.6 Å²	86.6	75%	0.749	48%	0.479	S	S	*	.			trans	-117.4	74.5	169.9	-69.8	-79.7	0	0	0	112.5	F1051	Y1049-F1051 PolarHBondContact O-N 2.78Å
1050	P	48.9	Very low	47.9	Very low	38 Å²	38	91.2 Å²	91.2	25%	0.247	49%	0.494	C	S	.	.	S	Bend	trans	-65.9	-23.2	162.8	30.4	-34.6	0	0	0	111.5	L691 Y692 Y730 G1048	L691-P1050 WeakPolarHBondContact O-CG 3.22Å; Y692-P1050 HydrophobicContact CD1-CG 4.35Å; Y692-P1050 HydrophobicContact CE1-CB 4.46Å; Y692-P1050 HydrophobicContact CE1-CG 4.01Å; Y730-P1050 HydrophobicContact CE2-CB 4.37Å; G1048-P1050 VanDerWaalsContact O-CD 3.32Å; G1048-P1050 WeakPolarHBondContact O-CD 3.43Å
1051	F	43.8	Very low	45.3	Very low	27 Å²	27	94 Å²	94	12%	0.118	53%	0.525	C	S	.	.	S	Bend	trans	-99.4	113.2	176.7	-159.1	-85.5	0	0	0	110.2	P747 P994 Y1049 C1053	P747-F1051 HydrophobicContact CG-CE2 4.09Å; P994-F1051 HydrophobicContact CB-CD1 3.99Å; P994-F1051 HydrophobicContact CB-CE1 3.72Å; P994-F1051 HydrophobicContact CB-CE2 4.28Å; P994-F1051 HydrophobicContact CB-CG 4.39Å; P994-F1051 HydrophobicContact CB-CZ 3.9Å; P994-F1051 HydrophobicContact CG-CD1 4.25Å; P994-F1051 HydrophobicContact CG-CE1 3.81Å; P994-F1051 HydrophobicContact CG-CZ 4.3Å; Y1049-F1051 PolarHBondContact O-N 2.78Å; F1051-C1053 HydrophobicContact CD1-CB 4.44Å; F1051-C1053 PolarHBondContact O-N 2.76Å
1052	R	45	Very low	42.8	Very low	214 Å²	214	97.5 Å²	97.5	81%	0.808	56%	0.555	S	S	*	*			trans	-78.2	110.6	160.2	-77	-173.3	178.4	179	2.5	107.6
1053	C	38.4	Very low	40.4	Very low	88 Å²	88	106.5 Å²	106.5	60%	0.595	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-68.1	134.3	168.9	-167.8	0	0	0	0	109	F1051 K1055	F1051-C1053 HydrophobicContact CD1-CB 4.44Å; F1051-C1053 PolarHBondContact O-N 2.76Å; C1053-K1055 PolarHBondContact O-N 3.32Å
1054	P	33.9	Very low	38.7	Very low	93 Å²	93	110.2 Å²	110.2	60%	0.604	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-53.8	131.4	166.5	-24.2	34.2	0	0	0	109.5
1055	K	26.6	Very low	37.2	Very low	176 Å²	176	115 Å²	115	77%	0.765	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-63.2	133	165.6	-75.3	-175.2	175.3	-175.4	0	107.4	C1053 S1057	C1053-K1055 PolarHBondContact O-N 3.32Å; K1055-S1057 PolarHBondContact O-N 2.94Å
1056	P	29.5	Very low	35.9	Very low	113 Å²	113	120.6 Å²	120.6	73%	0.734	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-61.3	129.4	173	25.5	-33.1	0	0	0	109.8	G1058	P1056-G1058 VanDerWaalsContact C-N 3.29Å; P1056-G1058 PolarHBondContact O-N 2.71Å
1057	S	34.6	Very low	34.9	Very low	137 Å²	137	121.6 Å²	121.6	96%	0.958	70%	0.696	S	S	*	*	S	Bend	trans	-72.9	75.5	-176.1	-55.2	0	0	0	0	111.9	K1055	K1055-S1057 PolarHBondContact O-N 2.94Å
1058	G	37.4	Very low	34.2	Very low	77 Å²	77	121.6 Å²	121.6	79%	0.794	70%	0.696	S	S	*	*			trans	167.3	46.8	-179.2	0	0	0	0	0	115.4	P1056	P1056-G1058 VanDerWaalsContact C-N 3.29Å; P1056-G1058 PolarHBondContact O-N 2.71Å
1059	A	32.4	Very low	33.5	Very low	89 Å²	89	128.8 Å²	128.8	74%	0.736	73%	0.733	S	S	*	*			trans	-148.1	33.6	-178	0	0	0	0	0	115.1
1060	E	28.9	Very low	32.8	Very low	180 Å²	180	127.5 Å²	127.5	84%	0.841	73%	0.733	S	S	*	*			trans	-109.5	95.2	163.3	-67.8	-160	170.8	0	0	109.8	S1062	E1060-S1062 PolarHBondContact O-N 2.57Å
1061	A	30.6	Very low	31.8	Very low	101 Å²	101	131.8 Å²	131.8	84%	0.835	76%	0.759	S	S	*	*			trans	-82.2	98.9	172.3	0	0	0	0	0	109.6	Q1063	A1061-Q1063 PolarHBondContact O-N 2.9Å
1062	S	29.5	Very low	31	Very low	109 Å²	109	134.9 Å²	134.9	76%	0.762	78%	0.784	S	S	*	*			trans	-69	122.3	176.4	54.4	0	0	0	0	111.9	E1060	E1060-S1062 PolarHBondContact O-N 2.57Å
1063	Q	29.5	Very low	30.2	Very low	201 Å²	201	132 Å²	132	94%	0.939	79%	0.785	S	S	*	*			trans	-87.3	113.3	167	-70	-177.8	-21.9	0	0	110.5	A1061	A1061-Q1063 PolarHBondContact O-N 2.9Å
1064	S	27.7	Very low	29.8	Very low	109 Å²	109	135.3 Å²	135.3	76%	0.762	80%	0.796	S	S	*	*			trans	-157.7	149.3	163.3	52.7	0	0	0	0	110.2
1065	E	30	Very low	29.6	Very low	180 Å²	180	136.7 Å²	136.7	84%	0.841	80%	0.802	S	S	*	*			trans	-96.9	152.7	-159.9	-61.3	165.3	112.8	0	0	115
1066	N	27.2	Very low	29.7	Very low	148 Å²	148	134.2 Å²	134.2	79%	0.791	80%	0.797	S	S	*	*			trans	47	115	151.6	-59.5	-9.7	0	0	0	121.3
1067	S	27.6	Very low	29.6	Very low	125 Å²	125	136.2 Å²	136.2	87%	0.874	80%	0.797	S	S	*	*				-155	152.4	120.4	-31.8	0	0	0	0	110.3
1068	D	28.1	Very low	29.3	Very low	153 Å²	153	135.2 Å²	135.2	82%	0.818	79%	0.785	S	S	*	*			trans	-83.3	151.2	-174.9	-45	-94.2	0	0	0	114
1069	L	29.7	Very low	28.8	Very low	155 Å²	155	140.8 Å²	140.8	81%	0.812	79%	0.791	S	S	*	*				173.4	117.1	119.7	-90.8	165.9	0	0	0	114.4
1070	E	29.3	Very low	28.5	Very low	164 Å²	164	140.1 Å²	140.1	77%	0.766	79%	0.792	S	S	*	*			trans	29.9	125.4	145.7	-60.1	-171.4	133.3	0	0	125
1071	T	27.8	Very low	28.4	Very low	129 Å²	129	138 Å²	138	79%	0.791	80%	0.796	S	S	*	*			trans	89.9	129.2	132.4	48.6	0	0	0	0	125.7
1072	S	28.2	Very low	28.1	Very low	92 Å²	92	141.9 Å²	141.9	64%	0.643	80%	0.797	S	S	*	*			trans	74.2	98.1	139.6	65.4	0	0	0	0	123.7
1073	D	27.8	Very low	28.1	Very low	153 Å²	153	142 Å²	142	82%	0.818	80%	0.795	S	S	*	*				82.3	146.7	112.5	-56.9	-28	0	0	0	124.8
1074	L	29.2	Very low	27.8	Very low	157 Å²	157	138.8 Å²	138.8	82%	0.822	79%	0.789	S	S	*	*			trans	73.4	110.8	172.4	-55.8	172.1	0	0	0	116.3
1075	V	29.5	Very low	27.8	Very low	123 Å²	123	144.4 Å²	144.4	75%	0.745	80%	0.795	S	S	*	*				74.1	122.9	59.5	178.3	0	0	0	0	110.5
1076	D	29.1	Very low	28	Very low	123 Å²	123	145.8 Å²	145.8	66%	0.658	82%	0.815	S	S	*	*			cis	-152.1	-178.5	39	-147.7	-3.5	0	0	0	117.2
1077	Q	26.9	Very low	28	Very low	155 Å²	155	145.7 Å²	145.7	72%	0.724	82%	0.816	S	S	*	*			trans	-22	163.4	163.7	-70.3	158.4	76.6	0	0	119.7
1078	T	28.5	Very low	28.1	Very low	117 Å²	117	146.7 Å²	146.7	72%	0.718	81%	0.813	S	S	*	*			cis	-142	147.5	25.8	50.8	0	0	0	0	115.7
1079	E	28.3	Very low	28.1	Very low	194 Å²	194	146.4 Å²	146.4	91%	0.907	81%	0.813	S	S	*	*			trans	21.7	143.4	140.8	-52.6	-168.9	131.2	0	0	123.2
1080	G	24.8	Very low	28	Very low	74 Å²	74	145.9 Å²	145.9	76%	0.763	81%	0.813	S	S	*	*			trans	-131.6	153.1	169.2	0	0	0	0	0	113.4
1081	C	27	Very low	27.9	Very low	137 Å²	137	144.8 Å²	144.8	93%	0.926	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-95.4	144.3	-178.2	-62.5	0	0	0	0	113.3
1082	Q	25	Very low	27.9	Very low	182 Å²	182	145.8 Å²	145.8	85%	0.85	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-83.2	150.2	174.3	-66.7	-171.2	-1.9	0	0	112.5
1083	P	28.5	Very low	27.9	Very low	111 Å²	111	149.6 Å²	149.6	72%	0.721	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-78	137.7	173.6	32	-34	0	0	0	112.1
1084	V	24.6	Very low	27.9	Very low	134 Å²	134	149.4 Å²	149.4	81%	0.812	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-86	134.4	171.8	177	0	0	0	0	109.7
1085	Y	26.7	Very low	27.8	Very low	226 Å²	226	148.8 Å²	148.8	89%	0.886	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-85.5	141.4	171.2	-77	-93.7	0	0	0	111.5
1086	V	34.3	Very low	27.6	Very low	209 Å²	209	151.1 Å²	151.1	100%	1.267	84%	0.839	S	S	*	*			trans	-136.4	0	166.2	-176.5	0	0	0	0	108.2

Retrieved 1,086 of 1,086 residues in 532 ms (Link to these results)

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