A0A5K4FBN6_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBN6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 880 aa.

						>A0A5K4FBN6_SCHMA|A0A5K4FBN6
MNSASSNFQCTTLLPDCLNSNALKTSSLYMRRWRRRQCIKLETDQIEGQQCQQPQPQQRQKPLYDDFVSNTNHFQNSSVNLNQCMDDIHRTNSVLAINELSNCSGDTSITTTSTIDVIYTNSNNNNSDRSYQSLTTNTLVANRSNTDAEFCMVSNSTPVMFNGGVTSPGNYKKILIDRYLLSQSMSHCGTIYESINPFTKMVHVPLLQGEQTDLSNEKAMKVPLNTDTNYHLETKSTIPEELINRKESNSSDNQIRNFQSLLRKLLCDILTRELLANKYKDKPYMIQSTVSSNHKRYCNTFNPNVTLQNPIITINDRIYNPDSSNTETKLSFNSENYEEAISTPCFDPNVGHEFLNELQSLLRNNCYSNGMKASDHQPTAMQILSHEKNSSLYTCLGSSKSSLLKINPNNQLTTPLLGMRNSVDKLLCPEVIKKNSVDASKPKHSQKSFYHSLAETSMSRISKDFINNNNTVNTTTTTTVFSPNFLHSLHCSVKNPNIQNSTLNSLLLVCSQPCTTMSIDSELSTLTSSTCSTHKQQQYPSVETSVSHPSSPLFKYRHPMDDHKFSTTSPHSSLLSSIHITPEKCFHTTIITSTTPITTIITTNSKISEQTNTHQSHLPFTITSISPTQINTPNVNQISMFNDNNNSNDNNLVQSYCDLQFMDIDNYQCKNSSNCKQTVSNGTDNCTTFNTFSSIPTLNSNKHSNTTSTTTTTTTNDTNKSSSINSSLIQHRTSNGLFVCMVCSRQFTRSDMLVRHAHVHTGHKPFECTICGQAFSRSDHLSTHQRTHTGQRPYQCSLCYYSASRRDMITRHLRVHQRKGQIVSTNESGGALKLHFTINFSQPSKYSLKHKGDRNTSSLVNVTDNRSSVISQSSHLNSFH
					

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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	40.2	Very low	31.8	Very low	227 Å²	227	132.2 Å²	132.2	100%	1.118	76%	0.764	S	S	*	*				0	75.2	0	-67.3	174.8	177.7	0	0	106.8
2	N	30.9	Very low	31.6	Very low	146 Å²	146	131.1 Å²	131.1	78%	0.781	76%	0.761	S	S	*	*				83.3	95.1	67.5	-65.9	37.6	0	0	0	108.1
3	S	31.3	Very low	31.4	Very low	100 Å²	100	132.3 Å²	132.3	70%	0.699	76%	0.762	S	S	*	*				77.6	103.9	90.9	68.6	0	0	0	0	110.7
4	A	35.6	Very low	31.2	Very low	86 Å²	86	134.4 Å²	134.4	71%	0.711	77%	0.767	S	S	*	*				78.2	148.3	81.4	0	0	0	0	0	112.7
5	S	32	Very low	31.5	Very low	117 Å²	117	132.1 Å²	132.1	82%	0.818	76%	0.76	S	S	*	*			trans	64.1	157.9	177.7	16.8	0	0	0	0	115.6
6	S	33	Very low	31.2	Very low	88 Å²	88	132.9 Å²	132.9	62%	0.615	76%	0.761	S	S	*	*			cis	-177.7	161.9	-21.7	50.8	0	0	0	0	111.3
7	N	33	Very low	30.8	Very low	134 Å²	134	130.7 Å²	130.7	72%	0.717	75%	0.754	S	S	*	*			trans	80.9	161.8	152.3	-54.6	-26.1	0	0	0	121.5
8	F	29.5	Very low	30.5	Very low	170 Å²	170	132.1 Å²	132.1	75%	0.746	76%	0.758	S	S	*	*			trans	83.4	99.2	155.1	-72.9	-68.4	0	0	0	122.7
9	Q	30.6	Very low	30.2	Very low	161 Å²	161	133.1 Å²	133.1	75%	0.752	76%	0.76	S	S	*	*				58.3	145.8	119.1	-82	-176.4	-25.1	0	0	124.2
10	C	26	Very low	30	Very low	103 Å²	103	130.9 Å²	130.9	70%	0.696	75%	0.753	S	S	*	*			trans	81.4	113.8	148.7	-71.9	0	0	0	0	122.2
11	T	28.3	Very low	29.8	Very low	122 Å²	122	132.3 Å²	132.3	75%	0.748	76%	0.758	S	S	*	*			trans	67.6	139.1	134.2	53.4	0	0	0	0	123
12	T	28.7	Very low	29.5	Very low	119 Å²	119	125.9 Å²	125.9	73%	0.73	74%	0.741	S	S	*	*			trans	72.1	122.4	150.5	37.7	0	0	0	0	122.1
13	L	28.7	Very low	29.6	Very low	147 Å²	147	127.5 Å²	127.5	77%	0.77	75%	0.749	S	S	*	*			trans	67.5	116.7	136.7	-63.6	168.4	0	0	0	121.9
14	L	28.9	Very low	29.8	Very low	161 Å²	161	129 Å²	129	84%	0.843	74%	0.743	S	S	*	*			trans	69.8	161.7	147.7	-92.8	79.4	0	0	0	118.7
15	P	36.8	Very low	29.7	Very low	101 Å²	101	130 Å²	130	66%	0.656	74%	0.74	S	S	*	*			trans	-97.9	164.8	-165.5	40.2	-36.9	0	0	0	112.8
16	D	25.9	Very low	29.9	Very low	144 Å²	144	129.3 Å²	129.3	77%	0.77	74%	0.735	S	S	*	*				-163.4	153.6	108.6	-118.5	-35.5	0	0	0	117
17	C	24.4	Very low	29.9	Very low	96 Å²	96	130.2 Å²	130.2	65%	0.649	74%	0.741	S	S	*	*			trans	-0.6	144	158.8	-69.9	0	0	0	0	123.9
18	L	25.7	Very low	29.7	Very low	156 Å²	156	131.2 Å²	131.2	82%	0.817	75%	0.746	S	S	*	*			trans	79.4	140	155.7	-55.8	148.5	0	0	0	116.2
19	N	24.5	Very low	29.6	Very low	150 Å²	150	126.7 Å²	126.7	80%	0.802	73%	0.725	S	S	*	*			cis	-158.2	171.6	10.4	-142.7	-29.4	0	0	0	113.4
20	S	25.7	Very low	29.5	Very low	89 Å²	89	123.9 Å²	123.9	62%	0.622	71%	0.713	S	S	*	*			trans	82.2	98.7	158.7	-177.5	0	0	0	0	123.9
21	N	27	Very low	29.5	Very low	162 Å²	162	129.9 Å²	129.9	87%	0.866	72%	0.721	S	S	*	*			trans	72.6	159	132.2	-63.1	-59.6	0	0	0	123.5
22	A	33.6	Very low	29.6	Very low	92 Å²	92	130.4 Å²	130.4	76%	0.76	71%	0.709	S	S	*	*			trans	-153.6	174.9	-169.6	0	0	0	0	0	113.6
23	L	32.1	Very low	29.6	Very low	179 Å²	179	133.9 Å²	133.9	94%	0.937	71%	0.709	S	S	*	*			trans	-178.8	168	132.9	-100.6	167.2	0	0	0	116.7
24	K	36	Very low	29.8	Very low	133 Å²	133	131.9 Å²	131.9	58%	0.578	69%	0.691	S	S	*	*			trans	-102.7	170.5	-171.9	-76.5	-172.3	169.2	-170.7	0	115.5	D643	K24-D643 IonicContact NZ-OD1 2.75Å; K24-D643 PolarHBondContact NZ-OD1 2.97Å; K24-D643 IonicContact NZ-OD2 2.77Å; K24-D643 PolarHBondContact NZ-OD2 2.86Å
25	T	34.1	Very low	29.9	Very low	107 Å²	107	135.1 Å²	135.1	66%	0.656	69%	0.692	S	S	*	*			trans	95	132.7	144	70.7	0	0	0	0	121.7
26	S	36.7	Very low	29.6	Very low	101 Å²	101	137.2 Å²	137.2	71%	0.706	69%	0.687	S	S	*	*			trans	-179.6	133	131.3	48.6	0	0	0	0	113.4
27	S	31.6	Very low	29.8	Very low	107 Å²	107	138.6 Å²	138.6	75%	0.748	69%	0.689	S	S	*	*			trans	-166.2	108.6	164.9	-179.6	0	0	0	0	111.2
28	L	28.2	Very low	29.9	Very low	156 Å²	156	140 Å²	140	82%	0.817	70%	0.698	S	S	*	*			trans	-170.9	21.3	160.7	-118.4	180	0	0	0	117.2
29	Y	27.7	Very low	30.2	Very low	75 Å²	75	140.5 Å²	140.5	29%	0.294	70%	0.7	S	S	.	*			trans	-147.5	128.6	-178.7	175.3	-89.9	0	0	0	109.3	I870 S871 Q872	Y29-I870 VanDerWaalsContact CD1-O 3.23Å; Y29-I870 WeakPolarHBondContact CD1-O 3.43Å; Y29-I870 HydrophobicContact CD2-CB 3.63Å; Y29-I870 HydrophobicContact CD2-CD1 4.43Å; Y29-I870 HydrophobicContact CD2-CG1 4.48Å; Y29-I870 HydrophobicContact CD2-CG2 4.04Å; Y29-I870 WeakPolarHBondContact CE1-O 3.44Å; Y29-I870 HydrophobicContact CE2-CB 4.06Å; Y29-I870 HydrophobicContact CG-CB 3.92Å; Y29-I870 HydrophobicContact CG-CG2 4.07Å; Y29-I870 VanDerWaalsContact CZ-O 3.27Å; Y29-S871 WeakPolarHBondContact CB-O 3.48Å; Y29-S871 CarbonylContact O-C 3.55Å; Y29-Q872 HydrophobicContact CD1-CB 3.46Å; Y29-Q872 VanDerWaalsContact CD1-CB 3.46Å; Y29-Q872 HydrophobicContact CD1-CG 3.41Å; Y29-Q872 VanDerWaalsContact CD1-CG 3.41Å; Y29-Q872 HydrophobicContact CE1-CB 3.79Å; Y29-Q872 HydrophobicContact CE1-CG 3.86Å; Y29-Q872 HydrophobicContact CG-CG 4.41Å; Y29-Q872 WeakPolarHBondContact O-CA 3.09Å; Y29-Q872 WeakPolarHBondContact O-CG 3.28Å; Y29-Q872 PolarHBondContact O-N 2.79Å
30	M	28.5	Very low	30.6	Very low	102 Å²	102	142.2 Å²	142.2	50%	0.502	70%	0.7	S	S	.	*			trans	-164.9	43.3	-174.1	-131.5	-47.8	-144.6	0	0	113.3	Q872 S873	M30-Q872 HydrophobicContact SD-CG 4.4Å; M30-S873 WeakPolarHBondContact CE-O 3.46Å
31	R	27.3	Very low	30.7	Very low	228 Å²	228	144.5 Å²	144.5	86%	0.86	71%	0.705	S	S	*	*	S	Bend	trans	-148.4	25.3	-172.3	-80.9	-158.2	177.7	-174.1	-0.2	117.4	Q872	R31-Q872 VanDerWaalsContact N-OE1 3.15Å
32	R	29.9	Very low	31	Very low	133 Å²	133	146 Å²	146	50%	0.502	71%	0.707	S	S	.	*	S	Bend	trans	-161.6	26.8	174.5	-117.9	156.3	-156.3	-143.2	2.3	121.1	A831 L832	R32-A831 WeakPolarHBondContact CD-O 3.46Å; R32-A831 HydrophobicContact CG-CB 4.28Å; R32-A831 WeakPolarHBondContact CG-O 3.42Å; R32-A831 PolarHBondContact NE-O 3.47Å; R32-A831 PolarHBondContact NH1-O 3.1Å; R32-L832 PolarHBondContact NH1-O 3.39Å
33	W	29.2	Very low	30.9	Very low	192 Å²	192	147.6 Å²	147.6	73%	0.727	71%	0.707	S	S	*	*			trans	-145.8	115	176.9	-150.8	84	0	0	0	115.4
34	R	31.3	Very low	31.1	Very low	106 Å²	106	146.5 Å²	146.5	40%	0.4	70%	0.702	S	S	.	*			trans	176.5	102.7	142.2	-101.2	177.3	-165.4	-104.8	-4.2	111	S874 L876 N877	R34-S874 PolarHBondContact NE-O 2.64Å; R34-S874 PolarHBondContact NH2-O 3.24Å; R34-L876 PolarHBondContact NE-O 3.09Å; R34-L876 PolarHBondContact NH1-O 3.39Å; R34-N877 VanDerWaalsContact CZ-OD1 3.25Å; R34-N877 PolarHBondContact NH1-OD1 2.94Å; R34-N877 PolarHBondContact NH2-OD1 3.08Å
35	R	30.9	Very low	31	Very low	229 Å²	229	147.5 Å²	147.5	86%	0.864	71%	0.709	S	S	*	*			trans	174.1	131.5	148.7	-102.1	-177.8	-174.1	-157.6	1.9	108.6
36	R	31	Very low	31	Very low	144 Å²	144	149.4 Å²	149.4	54%	0.543	71%	0.714	S	S	.	*			cis	-154.6	158.5	-35.8	-128.4	176.6	-170.1	159.7	1.1	106.7	S878 H880	R36-S878 PolarHBondContact NH2-O 3.34Å; R36-S878 VanDerWaalsContact NH2-O 3.1Å; R36-H880 PolarHBondContact NH1-O 2.88Å; R36-H880 PolarHBondContact NH1-OXT 2.71Å; R36-H880 PolarHBondContact NH2-O 3.43Å; R36-H880 PolarHBondContact NH2-OXT 3.08Å
37	Q	29.4	Very low	30.7	Very low	174 Å²	174	153.6 Å²	153.6	81%	0.813	72%	0.722	S	S	*	*			trans	-107.9	144	173.8	-83.6	-80	-17.2	0	0	108.9
38	C	28.3	Very low	30.8	Very low	125 Å²	125	152.2 Å²	152.2	85%	0.845	72%	0.724	S	S	*	*			trans	170.9	107.8	151	-99.2	0	0	0	0	111.6
39	I	31.1	Very low	31.2	Very low	166 Å²	166	153.4 Å²	153.4	85%	0.851	73%	0.726	S	S	*	*			trans	-146.8	119.3	155.3	-60.6	-175.5	0	0	0	108.8
40	K	32.4	Very low	31.3	Very low	187 Å²	187	157.8 Å²	157.8	81%	0.813	75%	0.749	S	S	*	*			trans	166.5	144.1	160.2	-102.3	-165	174.2	-170.3	0	107.7
41	L	29.1	Very low	31.2	Very low	136 Å²	136	157.9 Å²	157.9	71%	0.712	76%	0.759	S	S	*	*			cis	-134.8	168.8	-8.3	-60.4	95.5	0	0	0	108.4
42	E	32.4	Very low	31.5	Very low	194 Å²	194	155.7 Å²	155.7	91%	0.907	76%	0.758	S	S	*	*				-168.5	167.8	121	-107.1	162.7	-167.8	0	0	111.2
43	T	32.4	Very low	31.5	Very low	125 Å²	125	158.1 Å²	158.1	77%	0.767	78%	0.775	S	S	*	*			trans	-151.4	133.1	-172.9	48.7	0	0	0	0	111
44	D	35.3	Very low	31.8	Very low	157 Å²	157	154.6 Å²	154.6	84%	0.84	78%	0.777	S	S	*	*			trans	-179.5	162.8	160.2	-93.9	-19.3	0	0	0	107.4
45	Q	33.7	Very low	31.9	Very low	154 Å²	154	158.4 Å²	158.4	72%	0.72	80%	0.799	S	S	*	*			cis	-174.3	165.3	-34.1	-109.5	-92.4	12	0	0	106.5
46	I	35.3	Very low	32	Very low	147 Å²	147	151.8 Å²	151.8	75%	0.754	79%	0.786	S	S	*	*			trans	76	155.4	161.8	-63.6	151.8	0	0	0	119
47	E	29.8	Very low	31.8	Very low	189 Å²	189	152.6 Å²	152.6	88%	0.883	80%	0.796	S	S	*	*			trans	-98	168.9	-158.6	-53.7	155.2	117.5	0	0	114.1
48	G	33.8	Very low	31.9	Very low	77 Å²	77	150.2 Å²	150.2	79%	0.794	79%	0.785	S	S	*	*			trans	-175.6	74.4	178.3	0	0	0	0	0	118.4
49	Q	35.7	Very low	31.8	Very low	181 Å²	181	153.9 Å²	153.9	85%	0.846	78%	0.781	S	S	*	*			trans	22.5	120.7	153.3	-66.9	-178.3	-9.7	0	0	123.3
50	Q	30.3	Very low	32	Very low	167 Å²	167	155 Å²	155	78%	0.78	78%	0.782	S	S	*	*				55.3	129.1	123.8	-71.3	-169.9	-22.4	0	0	124.8
51	C	25.4	Very low	31.8	Very low	105 Å²	105	155.5 Å²	155.5	71%	0.709	78%	0.784	S	S	*	*				58.6	107.8	129.2	-58.3	0	0	0	0	122.2
52	Q	35.2	Very low	31.8	Very low	181 Å²	181	153.7 Å²	153.7	85%	0.846	78%	0.781	S	S	*	*				-179.7	109.5	107.7	-95.4	171.1	22.1	0	0	109.4
53	Q	30.2	Very low	31.4	Very low	185 Å²	185	151.4 Å²	151.4	86%	0.864	77%	0.774	S	S	*	*				80.9	133.3	100.8	-84.4	-160.6	-3.9	0	0	115.9
54	P	35	Very low	31	Very low	118 Å²	118	154.3 Å²	154.3	77%	0.766	77%	0.773	S	S	*	*			trans	-98.4	164.1	-179.2	39.4	-35.5	0	0	0	113.4
55	Q	33.1	Very low	30.4	Very low	186 Å²	186	152.3 Å²	152.3	87%	0.869	76%	0.762	S	S	*	*			trans	-138.1	149.4	151.7	-90.2	-70.5	-30.3	0	0	110
56	P	32.3	Very low	30.2	Very low	90 Å²	90	151.2 Å²	151.2	58%	0.584	76%	0.761	S	S	*	*			trans	-120.9	-165.9	-171	34.6	-14.4	0	0	0	112.9
57	Q	28.5	Very low	29.6	Very low	160 Å²	160	152.8 Å²	152.8	75%	0.748	76%	0.763	S	S	*	*			trans	73.3	158.3	169.2	-54.2	-176.8	20.2	0	0	114.1
58	Q	31.3	Very low	29.7	Very low	124 Å²	124	149.7 Å²	149.7	58%	0.579	76%	0.756	S	S	*	*			cis	-153.4	171.1	18.4	-147	165.4	82	0	0	111.4
59	R	24.4	Very low	29.2	Very low	203 Å²	203	150.4 Å²	150.4	77%	0.766	75%	0.749	S	S	*	*			trans	16	134.2	154.8	-69.6	177.5	-88.1	-142.4	2	117.8
60	Q	35.4	Very low	28.7	Very low	189 Å²	189	148.4 Å²	148.4	88%	0.883	74%	0.744	S	S	*	*				-157	149.7	56.6	-72	174.4	9	0	0	113.9
61	K	29.2	Very low	28.5	Very low	197 Å²	197	145 Å²	145	86%	0.857	74%	0.735	S	S	*	*			trans	-79.1	166.2	153.7	-109.9	-175.9	179.1	-177.5	0	108.2
62	P	29.6	Very low	28.4	Very low	99 Å²	99	146.8 Å²	146.8	64%	0.643	74%	0.738	S	S	*	*			cis	-154.6	-161.3	44.9	39.2	-13.8	0	0	0	115.7
63	L	23.8	Very low	27.9	Very low	145 Å²	145	145.2 Å²	145.2	76%	0.759	73%	0.73	S	S	*	*			trans	41.9	149.2	135.9	-72.3	162.9	0	0	0	121
64	Y	22.8	Very low	27.5	Very low	187 Å²	187	144.7 Å²	144.7	73%	0.733	73%	0.725	S	S	*	*			cis	-173.5	177.5	-12	-156.3	-149.9	0	0	0	108.9
65	D	23.5	Very low	27	Very low	114 Å²	114	146.7 Å²	146.7	61%	0.61	72%	0.724	S	S	*	*			trans	62.9	166.7	150.3	-80.2	-11.3	0	0	0	123.9
66	D	28.8	Very low	26.6	Very low	132 Å²	132	144.7 Å²	144.7	71%	0.706	72%	0.719	S	S	*	*			trans	66.2	119.5	173.5	-62.6	-29.1	0	0	0	118.9
67	F	23.3	Very low	26.2	Very low	180 Å²	180	144.6 Å²	144.6	79%	0.789	72%	0.721	S	S	*	*				58.5	133	64.2	-69.7	-81.7	0	0	0	110.7
68	V	31.5	Very low	26.1	Very low	123 Å²	123	142.4 Å²	142.4	75%	0.745	72%	0.723	S	S	*	*				-145.5	143.9	53.1	159.8	0	0	0	0	111.8
69	S	24.5	Very low	25.9	Very low	93 Å²	93	142.2 Å²	142.2	65%	0.65	73%	0.73	S	S	*	*			trans	-82.3	138.6	165	-51.1	0	0	0	0	111.2
70	N	25.7	Very low	26	Very low	139 Å²	139	138 Å²	138	74%	0.743	72%	0.723	S	S	*	*			trans	-164.7	118.8	147	-88.5	-31.6	0	0	0	106.5
71	T	24.5	Very low	25.6	Very low	95 Å²	95	136.8 Å²	136.8	58%	0.583	72%	0.722	S	S	*	*				65.6	140.5	62.4	72.6	0	0	0	0	114.2
72	N	24.9	Very low	25.4	Very low	143 Å²	143	132.4 Å²	132.4	77%	0.765	71%	0.708	S	S	*	*			trans	70.3	150.7	168.9	-53.1	-38	0	0	0	115.4
73	H	23	Very low	25.2	Very low	148 Å²	148	135.2 Å²	135.2	69%	0.685	71%	0.712	S	S	*	*			cis	172.5	146.5	-28.7	-142.2	-53.7	0	0	0	103.3
74	F	22.2	Very low	25.1	Very low	174 Å²	174	132 Å²	132	76%	0.763	70%	0.701	S	S	*	*			trans	67.5	167.6	159.8	-91.6	-71	0	0	0	119.4
75	Q	25.5	Very low	25.3	Very low	160 Å²	160	131 Å²	131	75%	0.748	71%	0.705	S	S	*	*			trans	70.1	107.5	166.3	-71.8	164.6	9.7	0	0	115
76	N	23.5	Very low	25.2	Very low	143 Å²	143	131.5 Å²	131.5	77%	0.765	71%	0.708	S	S	*	*				89.1	142.8	77.4	-77	8.3	0	0	0	110.8
77	S	25.3	Very low	25	Very low	88 Å²	88	131.8 Å²	131.8	62%	0.615	71%	0.709	S	S	*	*			cis	-168.9	153.5	-8.8	-94.9	0	0	0	0	109.7
78	S	25.2	Very low	25.1	Very low	114 Å²	114	129.6 Å²	129.6	80%	0.797	70%	0.704	S	S	*	*			trans	59.3	179.4	157.1	65.2	0	0	0	0	115.9
79	V	27.5	Very low	24.7	Very low	121 Å²	121	131.1 Å²	131.1	73%	0.733	70%	0.703	S	S	*	*			cis	-132.8	113	-2.2	179.2	0	0	0	0	104.9
80	N	25.8	Very low	24.8	Very low	114 Å²	114	138.4 Å²	138.4	61%	0.61	72%	0.716	S	S	*	*				60.7	96	87.3	-166.4	14.7	0	0	0	116.7	N82	N80-N82 PolarHBondContact OD1-ND2 2.72Å; N80-N82 PolarHBondContact OD1-OD1 2.78Å
81	L	28.6	Very low	24.7	Very low	163 Å²	163	137.4 Å²	137.4	85%	0.853	72%	0.715	S	S	*	*			trans	-157.6	111.1	146.3	-133.5	68	0	0	0	106.7
82	N	24.8	Very low	24.7	Very low	106 Å²	106	139.6 Å²	139.6	57%	0.567	72%	0.724	S	S	*	*				61	132.1	61.8	-61	-29.6	0	0	0	112.6	N80	N80-N82 PolarHBondContact OD1-ND2 2.72Å; N80-N82 PolarHBondContact OD1-OD1 2.78Å
83	Q	25.2	Very low	24.8	Very low	157 Å²	157	137.4 Å²	137.4	73%	0.734	72%	0.719	S	S	*	*			cis	-161.4	-175.8	-8.3	-177.9	53.6	17.1	0	0	107.7
84	C	21.9	Very low	24.9	Very low	78 Å²	78	136.6 Å²	136.6	53%	0.527	73%	0.725	S	S	.	*			trans	-43.2	138	170.1	-51.9	0	0	0	0	114.6
85	M	25.5	Very low	25	Very low	166 Å²	166	135.9 Å²	135.9	82%	0.818	73%	0.728	S	S	*	*				-152.5	136	96.7	-72.2	-48.1	173.1	0	0	106.5
86	D	22.2	Very low	25	Very low	125 Å²	125	131.9 Å²	131.9	67%	0.668	72%	0.722	S	S	*	*				74.7	152.4	54.5	-67.7	-55	0	0	0	114.3
87	D	24.9	Very low	25	Very low	138 Å²	138	132.5 Å²	132.5	74%	0.738	72%	0.724	S	S	*	*			trans	76.4	95.2	170.8	-67.2	-18.5	0	0	0	122.7
88	I	24.1	Very low	25	Very low	133 Å²	133	133 Å²	133	68%	0.682	72%	0.719	S	S	*	*				76.8	114.4	113.5	-70.3	166.6	0	0	0	120.1
89	H	24	Very low	24.9	Very low	156 Å²	156	130.1 Å²	130.1	72%	0.722	69%	0.694	S	S	*	*			trans	40.5	121.2	145.1	-70.4	-110.4	0	0	0	121
90	R	25.8	Very low	24.7	Very low	246 Å²	246	130 Å²	130	93%	0.928	69%	0.688	S	S	*	*				-164.3	123.4	102.8	-103.7	166.8	-174.9	99.5	-7.1	113.1
91	T	24.3	Very low	24.6	Very low	117 Å²	117	127.9 Å²	127.9	72%	0.718	68%	0.682	S	S	*	*			trans	-92.3	128.5	166	47.4	0	0	0	0	110.4
92	N	24.7	Very low	24.4	Very low	142 Å²	142	125.5 Å²	125.5	76%	0.759	67%	0.67	S	S	*	*				171.7	162.8	117.2	-92	-35	0	0	0	115.6
93	S	26.4	Very low	24.3	Very low	97 Å²	97	123.8 Å²	123.8	68%	0.678	67%	0.666	S	S	*	*			trans	59.1	121.2	152.7	47	0	0	0	0	120.4
94	V	26.1	Very low	24.2	Very low	131 Å²	131	121.5 Å²	121.5	79%	0.794	67%	0.667	S	S	*	*			trans	-105.3	139.2	165.6	172.3	0	0	0	0	109.5
95	L	24.4	Very low	24.4	Very low	158 Å²	158	120.9 Å²	120.9	83%	0.827	67%	0.674	S	S	*	*			trans	-138.8	158.8	165.7	-69.1	172.2	0	0	0	107.3
96	A	24.3	Very low	24.2	Very low	76 Å²	76	120.1 Å²	120.1	63%	0.628	67%	0.673	S	S	*	*			cis	-172	174.3	-24.5	0	0	0	0	0	107.6
97	I	24.3	Very low	24.3	Very low	157 Å²	157	120.2 Å²	120.2	81%	0.805	68%	0.679	S	S	*	*			trans	66.3	156.2	167.6	-81.8	169.7	0	0	0	113.9
98	N	24.7	Very low	24.2	Very low	97 Å²	97	118.2 Å²	118.2	52%	0.519	68%	0.676	S	S	.	*			cis	-135.9	178.7	-13.9	-135.2	41.5	0	0	0	107.4
99	E	23.9	Very low	24.1	Very low	55 Å²	55	119.1 Å²	119.1	26%	0.257	68%	0.68	S	S	.	*			cis	71.5	128.8	23.9	-79.1	-57.1	-1.6	0	0	118.7	L876 N877	E99-L876 HydrophobicContact CG-CD2 4.11Å; E99-L876 VanDerWaalsContact OE2-CA 3.24Å; E99-L876 WeakPolarHBondContact OE2-CA 3.27Å; E99-L876 PolarHBondContact OE2-N 2.98Å; E99-N877 WeakPolarHBondContact OE1-CA 3.4Å; E99-N877 PolarHBondContact OE1-N 2.75Å; E99-N877 PolarHBondContact OE2-N 3.32Å
100	L	23.4	Very low	24	Very low	119 Å²	119	116.6 Å²	116.6	62%	0.623	68%	0.676	S	S	*	*			trans	56.8	166.2	-169.7	-54.6	-178	0	0	0	113.6	S878	L100-S878 VanDerWaalsContact C-OG 3.27Å; L100-S878 WeakPolarHBondContact O-CB 3.34Å; L100-S878 PolarHBondContact O-OG 3.14Å
101	S	24	Very low	23.9	Very low	69 Å²	69	110.5 Å²	110.5	48%	0.483	67%	0.666	S	S	.	*			cis	-131.1	-158.1	8.6	69.7	0	0	0	0	109.9	S878 F879 H880	S101-S878 PolarHBondContact N-OG 2.74Å; S101-F879 WeakPolarHBondContact O-CB 3.12Å; S101-F879 PolarHBondContact O-N 2.77Å; S101-H880 PolarHBondContact O-N 2.95Å
102	N	23.4	Very low	23.9	Very low	112 Å²	112	110.6 Å²	110.6	60%	0.599	67%	0.667	S	S	*	*			cis	160	-13.5	6.3	-66.1	99.2	0	0	0	117.7	H880	N102-H880 PolarHBondContact N-CD2 2.8Å; N102-H880 PolarHBondContact ND2-NE2 2.85Å
103	C	22.7	Very low	24	Very low	71 Å²	71	108.3 Å²	108.3	48%	0.48	66%	0.662	S	S	.	*			cis	-128.4	-58.8	11.2	-62.5	0	0	0	0	101.6	H880	C103-H880 WeakPolarHBondContact CA-CD2 3.44Å; C103-H880 WeakPolarHBondContact CA-CE1 3.45Å; C103-H880 WeakPolarHBondContact CA-ND1 3.25Å; C103-H880 WeakPolarHBondContact CA-NE2 3.38Å; C103-H880 HydrophobicContact CB-CB 3.45Å; C103-H880 VanDerWaalsContact CB-CB 3.45Å; C103-H880 WeakPolarHBondContact CB-CD2 3.13Å; C103-H880 WeakPolarHBondContact CB-CE1 3.47Å; C103-H880 WeakPolarHBondContact CB-ND1 3.32Å; C103-H880 WeakPolarHBondContact CB-NE2 3.47Å; C103-H880 PolarHBondContact N-CD2 3.15Å; C103-H880 PolarHBondContact N-CE1 2.77Å; C103-H880 PolarHBondContact N-ND1 3.26Å; C103-H880 PolarHBondContact N-NE2 2.76Å; C103-H880 WeakPolarHBondContact O-CB 3.1Å; C103-H880 VanDerWaalsContact O-CG 3.23Å; C103-H880 PolarHBondContact O-ND1 3.22Å; C103-H880 PolarHBondContact SG-CD2 2.87Å; C103-H880 PolarHBondContact SG-NE2 2.78Å
104	S	24.2	Very low	24.2	Very low	109 Å²	109	109.5 Å²	109.5	76%	0.762	67%	0.665	S	S	*	*	S	Bend	trans	-133.2	137.4	-174.6	-40.6	0	0	0	0	106.6	H880	S104-H880 PolarHBondContact N-CE1 3.12Å; S104-H880 PolarHBondContact N-ND1 3.29Å; S104-H880 PolarHBondContact OG-ND1 2.84Å; S104-H880 VanDerWaalsContact OG-ND1 3.11Å
105	G	24.2	Very low	24.2	Very low	65 Å²	65	109.8 Å²	109.8	67%	0.67	66%	0.661	S	S	*	*			trans	109.6	105.4	-177.2	0	0	0	0	0	113.4
106	D	22.8	Very low	24.1	Very low	150 Å²	150	108.8 Å²	108.8	80%	0.802	66%	0.656	S	S	*	*			trans	61.8	115.8	130.5	-51.6	-25.6	0	0	0	122.3
107	T	23.5	Very low	24.1	Very low	127 Å²	127	109.4 Å²	109.4	78%	0.779	65%	0.652	S	S	*	*			trans	80.8	113.4	135.2	55.6	0	0	0	0	122.1
108	S	22.7	Very low	24.1	Very low	96 Å²	96	107.7 Å²	107.7	67%	0.671	64%	0.643	S	S	*	*				75.3	120.2	126.7	69.9	0	0	0	0	123.1
109	I	22.6	Very low	24.1	Very low	152 Å²	152	112.2 Å²	112.2	78%	0.779	65%	0.654	S	S	*	*				72.7	131.3	121.6	-66.8	175.8	0	0	0	117.9
110	T	22.3	Very low	24.1	Very low	102 Å²	102	114.5 Å²	114.5	63%	0.626	67%	0.672	S	S	*	*			cis	-167.6	159.2	-4.6	25.5	0	0	0	0	112.1
111	T	23.9	Very low	24.2	Very low	119 Å²	119	116.2 Å²	116.2	73%	0.73	68%	0.682	S	S	*	*			trans	65.4	151.7	143.4	56.4	0	0	0	0	120.1
112	T	24.4	Very low	24.2	Very low	119 Å²	119	116.9 Å²	116.9	73%	0.73	69%	0.686	S	S	*	*			cis	-163.6	142.3	-0.1	8.5	0	0	0	0	114.5
113	S	26.8	Very low	24.3	Very low	93 Å²	93	118.3 Å²	118.3	65%	0.65	69%	0.694	S	S	*	*			trans	61.2	159.1	139.4	75.6	0	0	0	0	121.3
114	T	29.2	Very low	24.5	Very low	123 Å²	123	121.4 Å²	121.4	76%	0.755	71%	0.706	S	S	*	*			cis	-135.2	156.1	4.4	43.3	0	0	0	0	111.2
115	I	26	Very low	24.6	Very low	136 Å²	136	122.5 Å²	122.5	70%	0.697	70%	0.703	S	S	*	*			cis	90.1	131.7	20.7	-59.2	167.7	0	0	0	113.8
116	D	23.2	Very low	24.6	Very low	138 Å²	138	126.7 Å²	126.7	74%	0.738	71%	0.71	S	S	*	*			cis	177.6	177	-23.9	-100.3	-38.7	0	0	0	108.2
117	V	24.9	Very low	24.7	Very low	88 Å²	88	124.9 Å²	124.9	53%	0.533	71%	0.71	S	S	.	*			cis	-162.1	128.2	1	112.3	0	0	0	0	113.5	Y119	V117-Y119 HydrophobicContact CG1-CE2 4.09Å
118	I	23.5	Very low	24.9	Very low	121 Å²	121	126.3 Å²	126.3	62%	0.621	71%	0.712	S	S	*	*			trans	60.2	176.9	142.8	-55.6	167.4	0	0	0	120.8	T120	I118-T120 HydrophobicContact CG2-CG2 4.22Å
119	Y	25.5	Very low	25	Very low	193 Å²	193	133.2 Å²	133.2	76%	0.757	72%	0.724	S	S	*	*			trans	115.2	149.3	152.9	-70.6	-85.6	0	0	0	118.5	V117	V117-Y119 HydrophobicContact CG1-CE2 4.09Å
120	T	23.8	Very low	25.1	Very low	103 Å²	103	130.3 Å²	130.3	63%	0.632	72%	0.717	S	S	*	*				-176.1	138.6	-83.1	42.9	0	0	0	0	110.7	I118	I118-T120 HydrophobicContact CG2-CG2 4.22Å
121	N	24.3	Very low	25.1	Very low	155 Å²	155	134.7 Å²	134.7	83%	0.829	72%	0.723	S	S	*	*			trans	81.9	147.2	147.8	-157.1	35.2	0	0	0	121.9
122	S	25.1	Very low	25.1	Very low	82 Å²	82	136.9 Å²	136.9	57%	0.573	73%	0.725	S	S	*	*			trans	113.7	128.1	150.4	-44.1	0	0	0	0	119.7
123	N	25.7	Very low	25	Very low	142 Å²	142	136.5 Å²	136.5	76%	0.759	73%	0.727	S	S	*	*			trans	70.6	114.1	145.6	-62.2	-10.8	0	0	0	123.1
124	N	25.6	Very low	24.9	Very low	136 Å²	136	139.1 Å²	139.1	73%	0.727	73%	0.733	S	S	*	*				51.7	136.1	122.1	-64.6	-5.7	0	0	0	123.4
125	N	25.8	Very low	24.7	Very low	133 Å²	133	138.7 Å²	138.7	71%	0.711	73%	0.731	S	S	*	*			trans	74.1	101.7	145.3	-61.1	-9.8	0	0	0	120.5
126	N	25.3	Very low	24.7	Very low	152 Å²	152	137.2 Å²	137.2	81%	0.813	73%	0.728	S	S	*	*			trans	69.8	159.6	131.4	-70.8	-8.8	0	0	0	121.9
127	S	25.3	Very low	24.8	Very low	113 Å²	113	137.3 Å²	137.3	79%	0.79	73%	0.729	S	S	*	*			trans	69.8	120.9	165.5	57.2	0	0	0	0	118.6	R129	S127-R129 PolarHBondContact O-N 2.75Å
128	D	26.9	Very low	25	Very low	157 Å²	157	138.8 Å²	138.8	84%	0.84	74%	0.738	S	S	*	*			trans	-58.7	128.7	158.5	-53.9	-90.7	0	0	0	111
129	R	25.7	Very low	25	Very low	241 Å²	241	140.6 Å²	140.6	91%	0.909	75%	0.748	S	S	*	*			trans	-167.4	129.3	135.5	-107.1	160.5	-168.7	-158.3	2.1	113.7	S127	S127-R129 PolarHBondContact O-N 2.75Å
130	S	23.9	Very low	25.2	Very low	90 Å²	90	137.6 Å²	137.6	63%	0.629	75%	0.749	S	S	*	*			trans	-38.2	140.1	155.6	50.5	0	0	0	0	115.3
131	Y	22.1	Very low	25.5	Very low	195 Å²	195	136.5 Å²	136.5	77%	0.765	75%	0.751	S	S	*	*				173	138	103.8	-109.9	-83.4	0	0	0	114.7
132	Q	24.2	Very low	25.7	Very low	164 Å²	164	136 Å²	136	77%	0.766	75%	0.748	S	S	*	*			trans	65.3	149.4	144.2	-100.9	165	4.6	0	0	125.1
133	S	23	Very low	26	Very low	111 Å²	111	141.9 Å²	141.9	78%	0.776	76%	0.758	S	S	*	*			trans	79.9	147.6	152.1	75.9	0	0	0	0	120.2
134	L	24	Very low	26	Very low	148 Å²	148	139 Å²	139	78%	0.775	75%	0.749	S	S	*	*			cis	-165.9	145.8	-36	-163.3	72.9	0	0	0	109.3
135	T	24	Very low	26.3	Very low	114 Å²	114	139 Å²	139	70%	0.699	75%	0.749	S	S	*	*			trans	63.2	162.4	159.6	30.1	0	0	0	0	117.5
136	T	27	Very low	26.3	Very low	106 Å²	106	138.1 Å²	138.1	65%	0.65	75%	0.748	S	S	*	*			cis	-147	138	9.2	-7.6	0	0	0	0	110.8
137	N	25	Very low	26.2	Very low	140 Å²	140	138 Å²	138	75%	0.749	75%	0.748	S	S	*	*			trans	54.3	151.6	146.8	-54.1	-13.2	0	0	0	119.6
138	T	28.2	Very low	26.3	Very low	119 Å²	119	136.8 Å²	136.8	73%	0.73	75%	0.745	S	S	*	*			cis	-151.4	136.2	26.3	-42.5	0	0	0	0	111.8
139	L	25.4	Very low	26.2	Very low	158 Å²	158	137.5 Å²	137.5	83%	0.827	74%	0.743	S	S	*	*			trans	17.2	148.7	149.3	-54.6	166.8	0	0	0	120.1
140	V	29	Very low	26.1	Very low	130 Å²	130	134.9 Å²	134.9	79%	0.788	74%	0.738	S	S	*	*			cis	-152.1	131.3	47.7	168.9	0	0	0	0	112.3
141	A	30.2	Very low	26	Very low	80 Å²	80	135.6 Å²	135.6	66%	0.661	74%	0.742	S	S	*	*			trans	34.1	156	143.5	0	0	0	0	0	121.7
142	N	27.7	Very low	26.1	Very low	145 Å²	145	134.8 Å²	134.8	78%	0.775	75%	0.747	S	S	*	*			cis	-164.5	165.8	2	-127.9	-10.7	0	0	0	107.6
143	R	31.1	Very low	26.4	Very low	205 Å²	205	134 Å²	134	77%	0.774	75%	0.753	S	S	*	*			cis	-149.3	164.3	-7.6	-165.6	172.1	176.1	-154.8	-3.9	109
144	S	27.4	Very low	26.6	Very low	81 Å²	81	133.2 Å²	133.2	57%	0.566	75%	0.748	S	S	*	*			trans	-70.4	156.6	167.4	58.1	0	0	0	0	114.9
145	N	30.3	Very low	26.9	Very low	138 Å²	138	133.3 Å²	133.3	74%	0.738	75%	0.749	S	S	*	*				-167.5	172.5	103	-100.7	25.2	0	0	0	111.8
146	T	26.8	Very low	27.2	Very low	113 Å²	113	132.7 Å²	132.7	69%	0.693	75%	0.75	S	S	*	*			trans	-119.3	174.4	-163	48.1	0	0	0	0	113.4
147	D	23.8	Very low	27.2	Very low	151 Å²	151	133.8 Å²	133.8	81%	0.807	76%	0.756	S	S	*	*			trans	79.7	166	155.7	-50	-51.1	0	0	0	119.7
148	A	25.7	Very low	27.6	Very low	87 Å²	87	132.6 Å²	132.6	72%	0.719	76%	0.756	S	S	*	*			trans	81.5	99.3	171.2	0	0	0	0	0	120.6
149	E	25.7	Very low	27.6	Very low	171 Å²	171	133.3 Å²	133.3	80%	0.799	76%	0.761	S	S	*	*				69	119.9	118.1	-65.4	-171.3	138.8	0	0	124.4
150	F	22.7	Very low	27.6	Very low	186 Å²	186	133.8 Å²	133.8	82%	0.816	76%	0.76	S	S	*	*			trans	73.9	153.6	131.3	-89.3	-91	0	0	0	124.4
151	C	23.1	Very low	27.5	Very low	105 Å²	105	137.6 Å²	137.6	71%	0.709	77%	0.767	S	S	*	*			trans	59.8	117.7	168	-65.5	0	0	0	0	118
152	M	24.1	Very low	27.2	Very low	178 Å²	178	141.5 Å²	141.5	88%	0.877	78%	0.777	S	S	*	*				64.6	111.9	56.7	-64.2	-72.2	-170.6	0	0	114.5
153	V	29.8	Very low	27	Very low	147 Å²	147	138.6 Å²	138.6	89%	0.891	78%	0.781	S	S	*	*				-173.8	143.2	117.4	145.5	0	0	0	0	109.3
154	S	28.3	Very low	26.8	Very low	96 Å²	96	132.6 Å²	132.6	67%	0.671	78%	0.782	S	S	*	*			trans	-106.1	166	178.4	55	0	0	0	0	112.4
155	N	29.5	Very low	26.7	Very low	149 Å²	149	135.1 Å²	135.1	80%	0.797	79%	0.794	S	S	*	*			trans	150.5	152.1	152.1	-77.1	-14	0	0	0	110.2
156	S	30	Very low	26.6	Very low	101 Å²	101	134.4 Å²	134.4	71%	0.706	80%	0.795	S	S	*	*			cis	-160.7	160.4	-21.5	-91.6	0	0	0	0	111.5
157	T	27.3	Very low	26.6	Very low	129 Å²	129	134 Å²	134	79%	0.791	80%	0.797	S	S	*	*			trans	-52.6	-179.3	174	55.2	0	0	0	0	117.4
158	P	33.7	Very low	27.1	Very low	115 Å²	115	131.4 Å²	131.4	75%	0.747	79%	0.788	S	S	*	*			cis	-138.2	-162.3	-48.8	41.4	-23.2	0	0	0	111.7
159	V	28.1	Very low	27.2	Very low	135 Å²	135	130.5 Å²	130.5	82%	0.818	79%	0.787	S	S	*	*			trans	173.8	154.2	139.1	145.4	0	0	0	0	111.7
160	M	24.3	Very low	27.2	Very low	167 Å²	167	128.6 Å²	128.6	82%	0.823	78%	0.782	S	S	*	*			trans	-110.2	156.5	176.5	-56.6	-165.2	-59.6	0	0	113
161	F	28.1	Very low	27.3	Very low	210 Å²	210	125.7 Å²	125.7	92%	0.921	77%	0.767	S	S	*	*			trans	-155.6	162.7	148.7	-108	-72.5	0	0	0	112.7
162	N	24.2	Very low	27.5	Very low	163 Å²	163	126.6 Å²	126.6	87%	0.872	76%	0.759	S	S	*	*			trans	-115.8	151.1	-168.3	-89	-40.5	0	0	0	114.1
163	G	24	Very low	28	Very low	84 Å²	84	125.1 Å²	125.1	87%	0.866	75%	0.748	S	S	*	*			trans	105.2	142.9	148.6	0	0	0	0	0	118.1
164	G	26	Very low	28	Very low	78 Å²	78	121.8 Å²	121.8	80%	0.804	72%	0.724	S	S	*	*			trans	160.4	124.9	173.9	0	0	0	0	0	112.7
165	V	25.6	Very low	28.2	Very low	135 Å²	135	120.9 Å²	120.9	82%	0.818	71%	0.711	S	S	*	*			trans	-114.6	158.8	-162.5	-158.3	0	0	0	0	112.8
166	T	26.6	Very low	28.4	Very low	123 Å²	123	119 Å²	119	76%	0.755	70%	0.7	S	S	*	*			trans	100.9	107.3	152.7	67.7	0	0	0	0	123.1
167	S	27.3	Very low	28.4	Very low	105 Å²	105	116.9 Å²	116.9	73%	0.734	68%	0.681	S	S	*	*				77.4	160.4	126.1	-76.4	0	0	0	0	123.3
168	P	33.8	Very low	28.8	Very low	96 Å²	96	116 Å²	116	62%	0.623	66%	0.663	S	S	*	*			trans	-136.8	175.3	-141.2	46.1	-31.3	0	0	0	118.7
169	G	27.9	Very low	28.8	Very low	67 Å²	67	118 Å²	118	69%	0.691	66%	0.657	S	S	*	*			trans	-174.4	125	159.2	0	0	0	0	0	117.7
170	N	26.1	Very low	28.9	Very low	131 Å²	131	119.6 Å²	119.6	70%	0.701	66%	0.66	S	S	*	*			trans	30	143.7	135.7	-62.8	-17.1	0	0	0	121.9
171	Y	25	Very low	29.2	Very low	125 Å²	125	118 Å²	118	49%	0.49	65%	0.654	S	S	.	*			cis	-170.5	129.1	2	-113.6	-52.5	0	0	0	112.2
172	K	28.5	Very low	29.4	Very low	125 Å²	125	112.2 Å²	112.2	54%	0.543	64%	0.639	S	S	.	*				62.9	154	129.8	169.4	-175.1	-177.5	174.9	0	123.7	L859 V860	K172-L859 WeakPolarHBondContact CD-O 3.27Å; K172-L859 WeakPolarHBondContact CE-O 3.37Å; K172-L859 PolarHBondContact NZ-O 2.78Å; K172-V860 HydrophobicContact CB-CG2 4.41Å; K172-V860 HydrophobicContact CD-CG2 3.85Å; K172-V860 HydrophobicContact CG-CG2 3.71Å
173	K	33	Very low	29.7	Very low	147 Å²	147	110 Å²	110	64%	0.639	62%	0.624	S	S	*	*			cis	177.8	165.3	-35.8	-157.1	-168.5	165.5	-172.8	0	111.4	V860	K173-V860 HydrophobicContact CB-CG2 4.1Å; K173-V860 HydrophobicContact CD-CB 4.26Å; K173-V860 HydrophobicContact CD-CG1 4.43Å; K173-V860 HydrophobicContact CD-CG2 3.57Å; K173-V860 HydrophobicContact CG-CG2 4.47Å
174	I	31.4	Very low	30.1	Very low	76 Å²	76	110.7 Å²	110.7	39%	0.39	62%	0.615	S	S	.	*			trans	87.6	148.5	150.6	-68.1	-161.8	0	0	0	121.5	V860 V862	I174-V860 HydrophobicContact CD1-CG1 3.61Å; I174-V860 HydrophobicContact CG1-CG1 4.38Å; I174-V862 HydrophobicContact CD1-CG2 3.28Å
175	L	32.2	Very low	30.2	Very low	77 Å²	77	114.4 Å²	114.4	40%	0.403	61%	0.614	S	S	.	*			cis	-171.3	174.1	-20.8	-100.3	-179.3	0	0	0	114.1	R866	L175-R866 PolarHBondContact O-NH1 2.86Å; L175-R866 PolarHBondContact O-NH2 3.24Å
176	I	33.4	Very low	30.5	Very low	111 Å²	111	111.7 Å²	111.7	57%	0.569	60%	0.6	S	S	*	*			trans	-118.7	179.7	-177.4	-14.5	177	0	0	0	114.7	N646 R866	I176-N646 VanDerWaalsContact CB-OD1 3.28Å; I176-N646 WeakPolarHBondContact CB-OD1 3.49Å; I176-N646 WeakPolarHBondContact CG2-OD1 3.37Å; I176-R866 PolarHBondContact O-NH1 3.19Å
177	D	30.2	Very low	30.5	Very low	55 Å²	55	113.1 Å²	113.1	29%	0.294	60%	0.598	S	S	.	*			trans	-148.2	130.8	-163	-166.7	51.2	0	0	0	120.5	N646	D177-N646 PolarHBondContact N-OD1 3.13Å; D177-N646 PolarHBondContact O-ND2 2.98Å
178	R	35.8	Very low	30.5	Very low	112 Å²	112	112.6 Å²	112.6	42%	0.423	59%	0.594	S	S	.	*			trans	71.4	161.1	161.8	-80.6	175.1	166.2	-154.7	5.8	121.7	N646 S868	R178-N646 WeakPolarHBondContact O-CB 3.36Å; R178-N646 PolarHBondContact O-ND2 3.24Å; R178-N646 VanDerWaalsContact O-ND2 3.13Å; R178-S868 PolarHBondContact NH1-OG 2.54Å; R178-S868 PolarHBondContact NH2-OG 2.54Å
179	Y	32.7	Very low	30.3	Very low	156 Å²	156	110.9 Å²	110.9	61%	0.612	59%	0.593	S	S	*	*			cis	-156.5	168.4	23	-155.8	-84.2	0	0	0	114.5	L181	Y179-L181 HydrophobicContact CD1-CB 4.31Å; Y179-L181 HydrophobicContact CE1-CB 3.97Å; Y179-L181 HydrophobicContact CE1-CD1 4.1Å; Y179-L181 HydrophobicContact CE1-CG 3.9Å
180	L	30.6	Very low	30.2	Very low	169 Å²	169	111 Å²	111	89%	0.885	58%	0.581	S	S	*	*			trans	-155	156.3	156	-114.1	179.1	0	0	0	113.5
181	L	31.3	Very low	30.4	Very low	134 Å²	134	112.9 Å²	112.9	70%	0.702	59%	0.589	S	S	*	*			trans	-146.7	142.2	-158.4	-147.7	171.1	0	0	0	115.5	Y179	Y179-L181 HydrophobicContact CD1-CB 4.31Å; Y179-L181 HydrophobicContact CE1-CB 3.97Å; Y179-L181 HydrophobicContact CE1-CD1 4.1Å; Y179-L181 HydrophobicContact CE1-CG 3.9Å
182	S	32.4	Very low	30.4	Very low	88 Å²	88	115.8 Å²	115.8	62%	0.615	60%	0.6	S	S	*	*			trans	155.4	125.6	142.2	53.2	0	0	0	0	116.2	R814	S182-R814 PolarHBondContact O-NH1 2.87Å
183	Q	29.7	Very low	30.5	Very low	116 Å²	116	119.1 Å²	119.1	54%	0.542	62%	0.618	S	S	.	*			trans	171.3	110.6	153.6	-92.6	-167.5	-13.7	0	0	110.4	R818	Q183-R818 PolarHBondContact O-NH2 3.3Å
184	S	32.1	Very low	30.2	Very low	98 Å²	98	115.4 Å²	115.4	69%	0.685	61%	0.61	S	S	*	*			trans	-171.5	119.6	158.4	50	0	0	0	0	117.9
185	M	29.7	Very low	30.1	Very low	157 Å²	157	118.9 Å²	118.9	77%	0.773	63%	0.628	S	S	*	*				-138.9	160.7	123.6	-69.5	-173.5	78.2	0	0	105.4	R818	M185-R818 PolarHBondContact O-NH1 3.01Å
186	S	30.1	Very low	29.8	Very low	77 Å²	77	122 Å²	122	54%	0.538	65%	0.645	S	S	.	*			cis	-161.9	-150.3	-17.6	48.9	0	0	0	0	104.7
187	H	28.4	Very low	29.7	Very low	153 Å²	153	121.7 Å²	121.7	71%	0.708	65%	0.65	S	S	*	*			cis	-154.5	138.2	-24.4	-141	-68.3	0	0	0	107.6
188	C	26.6	Very low	29.4	Very low	95 Å²	95	128.3 Å²	128.3	64%	0.642	68%	0.677	S	S	*	*			trans	53.2	172.6	169.2	-62.9	0	0	0	0	117.7
189	G	28.8	Very low	28.9	Very low	59 Å²	59	129.3 Å²	129.3	61%	0.608	70%	0.696	S	S	*	*			cis	-139.6	163.1	-11.3	0	0	0	0	0	110.1	I822	G189-I822 WeakPolarHBondContact O-CG2 3.48Å
190	T	26	Very low	28.7	Very low	71 Å²	71	131.1 Å²	131.1	44%	0.436	71%	0.707	S	S	.	*			trans	-83.7	167.6	-172.1	-1	0	0	0	0	112.2	I822 V823	T190-I822 HydrophobicContact CG2-CG2 4.3Å; T190-I822 VanDerWaalsContact CG2-O 3.28Å; T190-I822 WeakPolarHBondContact CG2-O 3.18Å; T190-I822 PolarHBondContact OG1-O 3.33Å; T190-V823 HydrophobicContact CG2-CB 4.35Å; T190-V823 HydrophobicContact CG2-CG2 3.66Å
191	I	30.7	Very low	28.3	Very low	169 Å²	169	131.4 Å²	131.4	87%	0.867	71%	0.706	S	S	*	*				-148.4	168.7	67.4	-79.4	159.1	0	0	0	110.7
192	Y	24.7	Very low	27.9	Very low	186 Å²	186	130.9 Å²	130.9	73%	0.729	71%	0.708	S	S	*	*			trans	-141.6	138	-172	-148.8	-80.2	0	0	0	109.8	S194	Y192-S194 WeakPolarHBondContact CE1-OG 2.84Å
193	E	31.6	Very low	27.6	Very low	196 Å²	196	134.9 Å²	134.9	92%	0.916	72%	0.717	S	S	*	*			trans	-156	142.5	158.2	-142.8	168.3	-123.3	0	0	110
194	S	25.8	Very low	27.7	Very low	69 Å²	69	135 Å²	135	48%	0.483	73%	0.725	S	S	.	*			trans	-170.8	136.6	-166.9	64.3	0	0	0	0	115.4	Y192	Y192-S194 WeakPolarHBondContact CE1-OG 2.84Å
195	I	28.9	Very low	27.6	Very low	148 Å²	148	135.5 Å²	135.5	76%	0.759	73%	0.726	S	S	*	*			trans	66.6	119	140.8	-62.4	165.6	0	0	0	114.8
196	N	25.6	Very low	27.4	Very low	142 Å²	142	135 Å²	135	76%	0.759	73%	0.725	S	S	*	*				174.1	-167.1	63.3	-132.1	-7	0	0	0	108.8
197	P	33.1	Very low	27.3	Very low	105 Å²	105	138.6 Å²	138.6	68%	0.682	74%	0.738	S	S	*	*			cis	-126.8	-172.5	-42	33.5	-14.8	0	0	0	112.8
198	F	23.5	Very low	27.3	Very low	194 Å²	194	139 Å²	139	85%	0.851	74%	0.74	S	S	*	*			trans	-59.4	141.9	165.4	-72.7	-115.7	0	0	0	113.8
199	T	24.4	Very low	27.5	Very low	133 Å²	133	137.3 Å²	137.3	82%	0.816	74%	0.739	S	S	*	*				170.6	160	108.7	35.6	0	0	0	0	114.3
200	K	29.2	Very low	27.6	Very low	194 Å²	194	141.7 Å²	141.7	84%	0.843	74%	0.744	S	S	*	*			trans	77.2	95.7	167.6	-65.6	-171.6	176.6	-176.8	0	120.6
201	M	22.1	Very low	27.8	Very low	175 Å²	175	145 Å²	145	86%	0.862	75%	0.754	S	S	*	*				45.7	128.8	113	-82.8	176.1	139	0	0	122.4
202	V	23.5	Very low	27.6	Very low	124 Å²	124	142.3 Å²	142.3	75%	0.752	75%	0.746	S	S	*	*			trans	74.1	135.9	142.6	178	0	0	0	0	115.9
203	H	25.5	Very low	27.8	Very low	172 Å²	172	140 Å²	140	80%	0.796	75%	0.746	S	S	*	*			cis	-138.5	161.5	10.2	-143.5	-69.1	0	0	0	111.3
204	V	31.6	Very low	27.6	Very low	119 Å²	119	137.2 Å²	137.2	72%	0.721	74%	0.737	S	S	*	*			trans	-115.7	143.7	170	-173.3	0	0	0	0	110.2
205	P	30.3	Very low	27.8	Very low	108 Å²	108	138.7 Å²	138.7	70%	0.701	75%	0.747	S	S	*	*				-135.1	136.3	123.6	9.3	14	0	0	0	113.2
206	L	25.6	Very low	27.8	Very low	145 Å²	145	138.3 Å²	138.3	76%	0.759	75%	0.746	S	S	*	*				73.1	136.9	80.5	-66.6	173.1	0	0	0	114.7
207	L	28.1	Very low	27.8	Very low	154 Å²	154	137.5 Å²	137.5	81%	0.806	74%	0.738	S	S	*	*			cis	-128.4	-142.7	-11.6	-77.8	126.3	0	0	0	108
208	Q	28.7	Very low	27.7	Very low	160 Å²	160	140.1 Å²	140.1	75%	0.748	74%	0.739	S	S	*	*			cis	-161.8	157.3	-3.3	-178	173.9	-20.5	0	0	106.7
209	G	29.7	Very low	27.9	Very low	61 Å²	61	135.4 Å²	135.4	63%	0.629	74%	0.736	S	S	*	*			cis	165.1	175.1	-11	0	0	0	0	0	111.9
210	E	30.2	Very low	27.9	Very low	150 Å²	150	136.2 Å²	136.2	70%	0.701	73%	0.732	S	S	*	*			trans	71.2	145.6	163.9	-52.9	-166.1	105	0	0	118
211	Q	31.6	Very low	27.9	Very low	142 Å²	142	135.2 Å²	135.2	66%	0.664	73%	0.728	S	S	*	*			cis	-163.5	143.7	-9.5	-117.2	-173.1	49.9	0	0	110.4
212	T	26.3	Very low	28	Very low	111 Å²	111	132.6 Å²	132.6	68%	0.681	72%	0.722	S	S	*	*			trans	52.1	163.5	147.6	59.7	0	0	0	0	121.7
213	D	28.3	Very low	28.2	Very low	137 Å²	137	132.6 Å²	132.6	73%	0.733	72%	0.724	S	S	*	*			cis	-173	177.2	-19.4	-104.9	30.7	0	0	0	106.9
214	L	28.3	Very low	28.2	Very low	139 Å²	139	131.1 Å²	131.1	73%	0.728	72%	0.721	S	S	*	*			cis	-177	158.8	-31.4	178.4	60	0	0	0	108.5
215	S	29.4	Very low	27.8	Very low	100 Å²	100	132 Å²	132	70%	0.699	72%	0.722	S	S	*	*			trans	70	168.8	172.5	88.9	0	0	0	0	115.4
216	N	28.4	Very low	27.6	Very low	139 Å²	139	132 Å²	132	74%	0.743	72%	0.72	S	S	*	*			cis	-172.1	163.9	-18.3	-110.7	13.1	0	0	0	108.7
217	E	27.2	Very low	27.7	Very low	125 Å²	125	131.4 Å²	131.4	58%	0.584	72%	0.718	S	S	*	*			cis	-166.9	175.8	-22.9	-137.9	-157.9	144.8	0	0	111.6
218	K	30.7	Very low	27.6	Very low	160 Å²	160	129.4 Å²	129.4	70%	0.696	71%	0.712	S	S	*	*			trans	51.6	109.4	152.9	-76.1	174.4	174.9	79.5	0	123.4
219	A	26.6	Very low	27.4	Very low	96 Å²	96	127.8 Å²	127.8	79%	0.793	71%	0.708	S	S	*	*				63.8	149.5	115.6	0	0	0	0	0	124.2
220	M	24.7	Very low	27.1	Very low	149 Å²	149	135.2 Å²	135.2	73%	0.734	72%	0.719	S	S	*	*				169.3	118.7	119.4	-172.1	71.4	90.9	0	0	115.3
221	K	29.7	Very low	26.8	Very low	174 Å²	174	136.1 Å²	136.1	76%	0.757	72%	0.723	S	S	*	*			trans	53.8	128.6	154.2	-66.8	168.3	-176.1	167.9	0	120.5
222	V	24.8	Very low	26.3	Very low	120 Å²	120	136.5 Å²	136.5	73%	0.727	73%	0.729	S	S	*	*			cis	65.1	115.7	34.5	-173	0	0	0	0	113.1
223	P	27.3	Very low	26.2	Very low	123 Å²	123	139.7 Å²	139.7	80%	0.799	74%	0.736	S	S	*	*				-146.3	-166	70.4	23.2	3.3	0	0	0	114.9
224	L	24.1	Very low	26	Very low	141 Å²	141	138.8 Å²	138.8	74%	0.738	74%	0.736	S	S	*	*				-171.3	166	-51.2	-105.4	166.1	0	0	0	108.8
225	N	24.8	Very low	25.8	Very low	137 Å²	137	141 Å²	141	73%	0.733	74%	0.739	S	S	*	*			trans	71.3	143.4	165.1	-62.8	0	0	0	0	118.5
226	T	25.8	Very low	25.6	Very low	110 Å²	110	141.7 Å²	141.7	68%	0.675	74%	0.744	S	S	*	*			cis	-156.6	159.6	-9.2	10.2	0	0	0	0	111.3
227	D	26.4	Very low	25.3	Very low	132 Å²	132	140.1 Å²	140.1	71%	0.706	74%	0.739	S	S	*	*			trans	61.8	89.7	159.1	-57.3	-39.1	0	0	0	119.6
228	T	26.6	Very low	25.3	Very low	111 Å²	111	140.1 Å²	140.1	68%	0.681	74%	0.742	S	S	*	*				90.2	129.5	62.7	64.5	0	0	0	0	113.4
229	N	24.8	Very low	25.2	Very low	126 Å²	126	136.3 Å²	136.3	67%	0.674	73%	0.734	S	S	*	*			cis	-141.6	129.8	3.5	-102.5	-36.1	0	0	0	112.8
230	Y	23.5	Very low	25.3	Very low	217 Å²	217	137 Å²	137	85%	0.851	72%	0.721	S	S	*	*			trans	55.3	59.7	164.1	-59.9	-70.7	0	0	0	119
231	H	23.8	Very low	25.2	Very low	169 Å²	169	134.8 Å²	134.8	78%	0.782	71%	0.709	S	S	*	*			trans	-73.2	146.9	146.3	-138.8	-100.5	0	0	0	109.5
232	L	21.6	Very low	25.3	Very low	151 Å²	151	131.7 Å²	131.7	79%	0.791	70%	0.7	S	S	*	*			trans	-80.6	115.3	165.7	-84.6	88.9	0	0	0	109.1
233	E	23.2	Very low	25.6	Very low	177 Å²	177	129.6 Å²	129.6	83%	0.827	68%	0.684	S	S	*	*			trans	-138.6	157.5	165	-76.6	-155.7	149.8	0	0	113
234	T	23.6	Very low	25.7	Very low	119 Å²	119	129 Å²	129	73%	0.73	67%	0.674	S	S	*	*			trans	-83.7	154.5	-165	52.4	0	0	0	0	114.5
235	K	24	Very low	25.8	Very low	186 Å²	186	132.8 Å²	132.8	81%	0.809	68%	0.678	S	S	*	*				168.9	145.4	123	-90.5	151.8	-171.2	166.3	0	113.2
236	S	25.3	Very low	25.9	Very low	114 Å²	114	132.1 Å²	132.1	80%	0.797	67%	0.669	S	S	*	*			trans	55.5	134.6	163.2	46.3	0	0	0	0	118.2
237	T	22.2	Very low	26.1	Very low	105 Å²	105	130 Å²	130	64%	0.644	65%	0.651	S	S	*	*			cis	-134.7	165.3	22.8	-50.2	0	0	0	0	111.8
238	I	28.4	Very low	26.5	Very low	125 Å²	125	124.2 Å²	124.2	64%	0.641	62%	0.621	S	S	*	*			trans	-154.2	116.9	-179.9	-72.8	-176.4	0	0	0	108.1	Y319	I238-Y319 HydrophobicContact CG2-CD2 3.79Å; I238-Y319 HydrophobicContact CG2-CE2 3.33Å
239	P	27.9	Very low	26.9	Very low	80 Å²	80	121.9 Å²	121.9	52%	0.519	60%	0.604	S	S	.	*			trans	-157.2	144.8	142	33.5	-11.9	0	0	0	119.2	Y319	P239-Y319 VanDerWaalsContact C-CB 3.5Å; P239-Y319 VanDerWaalsContact C-CE2 3.4Å; P239-Y319 VanDerWaalsContact C-CG 3.41Å; P239-Y319 WeakPolarHBondContact O-CB 2.25Å
240	E	27.8	Very low	28.1	Very low	112 Å²	112	119.2 Å²	119.2	52%	0.523	60%	0.596	S	S	.	*	S	Bend	trans	140.3	-118.1	157.6	-59.8	62.8	-89.7	0	0	118.6	Y319	E240-Y319 VanDerWaalsContact C-CG 3.44Å; E240-Y319 WeakPolarHBondContact O-CD1 3.26Å; E240-Y319 WeakPolarHBondContact O-CE1 3.34Å; E240-Y319 WeakPolarHBondContact OE1-CE2 3Å; E240-Y319 PolarHBondContact OE1-OH 3.09Å
241	E	23.7	Very low	28.6	Very low	102 Å²	102	109.1 Å²	109.1	48%	0.477	56%	0.557	S	S	.	*	S	Bend	trans	-129.4	94.2	-175.8	-66.9	-145.2	139.3	0	0	121.7	I243 I318 N320	E241-I243 HydrophobicContact CB-CD1 3.62Å; E241-I243 HydrophobicContact CB-CG1 4.17Å; E241-I243 HydrophobicContact CG-CD1 3.77Å; E241-I243 HydrophobicContact CG-CG1 4.38Å; E241-I318 CarbonylContact C-O 3.55Å; E241-N320 VanDerWaalsContact C-N 3.26Å; E241-N320 VanDerWaalsContact N-N 3.13Å; E241-N320 PolarHBondContact O-N 2.65Å
242	L	31.9	Very low	29.1	Very low	109 Å²	109	104 Å²	104	57%	0.571	54%	0.535	S	S	*	.	S	Bend	trans	-162.3	35.2	146	-61.8	-170.3	0	0	0	107.4	R317 I318	L242-R317 WeakPolarHBondContact CD1-O 3.42Å; L242-R317 WeakPolarHBondContact CG-O 3.31Å; L242-I318 CarbonylContact C-O 3.59Å; L242-I318 VanDerWaalsContact C-O 3.31Å; L242-I318 WeakPolarHBondContact CA-O 3.14Å; L242-I318 WeakPolarHBondContact CB-O 3.35Å; L242-I318 PolarHBondContact N-O 2.74Å
243	I	30.5	Very low	29.7	Very low	76 Å²	76	101.5 Å²	101.5	39%	0.39	52%	0.523	S	S	.	.				56	95.6	103.6	-66	167.1	0	0	0	111.7	E241 R245	E241-I243 HydrophobicContact CB-CD1 3.62Å; E241-I243 HydrophobicContact CB-CG1 4.17Å; E241-I243 HydrophobicContact CG-CD1 3.77Å; E241-I243 HydrophobicContact CG-CG1 4.38Å; I243-R245 VanDerWaalsContact C-N 3.25Å; I243-R245 PolarHBondContact O-N 2.96Å
244	N	29.5	Very low	30.1	Very low	111 Å²	111	93.6 Å²	93.6	59%	0.594	49%	0.486	S	S	*	.				46.6	48.3	99.9	-48.9	-32.6	0	0	0	115.3
245	R	25.8	Very low	30.7	Very low	220 Å²	220	90.6 Å²	90.6	83%	0.83	47%	0.465	S	S	*	.				-110	103.4	116.1	-79.7	85.7	-151	-79.8	8.7	108.7	I243	I243-R245 VanDerWaalsContact C-N 3.25Å; I243-R245 PolarHBondContact O-N 2.96Å
246	K	28.2	Very low	31.3	Very low	123 Å²	123	88.2 Å²	88.2	54%	0.535	45%	0.451	S	S	.	.				65.3	115.5	68.9	-72.6	-173.6	143.7	-95.3	0	110.2	D562	K246-D562 IonicContact NZ-OD2 2.71Å
247	E	28.7	Very low	31.9	Very low	64 Å²	64	85.8 Å²	85.8	30%	0.299	43%	0.429	S	S	.	.			trans	74.5	137.4	130.3	-68.2	143.2	-142	0	0	116.6	M560 D561 D562	E247-M560 HydrophobicContact CB-SD 4.36Å; E247-D561 HydrophobicContact CB-CB 3.41Å; E247-D561 VanDerWaalsContact CB-CB 3.41Å; E247-D561 HydrophobicContact CG-CB 3.56Å; E247-D562 HydrophobicContact CG-CB 4.42Å
248	S	34.6	Very low	32.6	Very low	12 Å²	12	86.3 Å²	86.3	8%	0.084	42%	0.422	C	S	.	.				176	45.3	125.5	43.7	0	0	0	0	114.6	S251 H558 P559 M560 D561	S248-S251 WeakPolarHBondContact O-CA 3.32Å; S248-S251 WeakPolarHBondContact O-CB 3.47Å; S248-S251 PolarHBondContact O-N 2.96Å; S248-S251 PolarHBondContact O-OG 2.67Å; S248-S251 PolarHBondContact OG-OG 3.42Å; S248-H558 PolarHBondContact OG-CE1 2.78Å; S248-H558 PolarHBondContact OG-ND1 3.2Å; S248-P559 CarbonylContact O-C 3.31Å; S248-P559 VanDerWaalsContact O-CA 3.32Å; S248-P559 WeakPolarHBondContact O-CA 3.4Å; S248-M560 VanDerWaalsContact CA-CA 3.41Å; S248-M560 CarbonylContact O-C 3.46Å; S248-M560 WeakPolarHBondContact O-CA 3.04Å; S248-M560 PolarHBondContact O-N 3.13Å; S248-D561 WeakPolarHBondContact CA-OD1 3.37Å; S248-D561 PolarHBondContact N-OD1 2.86Å
249	N	36.1	Very low	33.3	Very low	61 Å²	61	85.7 Å²	85.7	33%	0.326	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	156.1	-169.6	-72.5	-25	0	0	0	119.3	S251 I255 P559 M560 D561	N249-S251 PolarHBondContact O-N 2.84Å; N249-I255 WeakPolarHBondContact OD1-CD1 3.08Å; N249-P559 CarbonylContact O-C 3.21Å; N249-P559 VanDerWaalsContact O-O 3.09Å; N249-M560 CarbonylContact C-O 3.28Å; N249-M560 VanDerWaalsContact C-O 3.28Å; N249-M560 PolarHBondContact N-O 3.44Å; N249-M560 CarbonylContact O-C 3.54Å; N249-M560 WeakPolarHBondContact O-CA 3.04Å; N249-M560 PolarHBondContact O-N 3.5Å; N249-D561 WeakPolarHBondContact CB-OD1 2.79Å; N249-D561 PolarHBondContact N-OD1 3.47Å; N249-D561 PolarHBondContact ND2-OD1 3.14Å; N249-D561 VanDerWaalsContact ND2-OD1 3.09Å; N249-D561 PolarHBondContact OD1-OD1 3.42Å
250	S	50.6	Low	34.1	Very low	71 Å²	71	84.2 Å²	84.2	50%	0.497	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	-3.6	-133	75.9	0	0	0	0	115.6	D252 N253 P559	S250-D252 VanDerWaalsContact N-N 3.16Å; S250-D252 PolarHBondContact N-OD2 2.57Å; S250-D252 PolarHBondContact O-N 3.33Å; S250-N253 PolarHBondContact O-N 3.01Å; S250-P559 CarbonylContact C-O 2.98Å; S250-P559 PolarHBondContact OG-O 2.91Å
251	S	33.1	Very low	35	Very low	5 Å²	5	81.7 Å²	81.7	4%	0.035	40%	0.398	C	S	.	.	H	α-helix		-33.6	-43.5	116	-103.3	0	0	0	0	107.7	S248 N249 N253 Q254 I255 P559	S248-S251 WeakPolarHBondContact O-CA 3.32Å; S248-S251 WeakPolarHBondContact O-CB 3.47Å; S248-S251 PolarHBondContact O-N 2.96Å; S248-S251 PolarHBondContact O-OG 2.67Å; S248-S251 PolarHBondContact OG-OG 3.42Å; N249-S251 PolarHBondContact O-N 2.84Å; S251-N253 CarbonylContact O-C 3.22Å; S251-N253 VanDerWaalsContact O-C 3.26Å; S251-N253 PolarHBondContact O-N 2.8Å; S251-Q254 CarbonylContact O-C 3.6Å; S251-Q254 WeakPolarHBondContact O-CA 3Å; S251-Q254 WeakPolarHBondContact O-CB 2.96Å; S251-Q254 PolarHBondContact O-N 2.99Å; S251-I255 PolarHBondContact O-N 2.8Å; S251-P559 VanDerWaalsContact N-C 3.31Å; S251-P559 PolarHBondContact N-O 3.09Å; S251-P559 VanDerWaalsContact N-O 3.09Å
252	D	34.8	Very low	36	Very low	60 Å²	60	80.6 Å²	80.6	32%	0.321	40%	0.395	S	S	.	.	H	α-helix	trans	-37.6	-30.2	171.8	-54.1	-63.1	0	0	0	116.6	S250 R256	S250-D252 VanDerWaalsContact N-N 3.16Å; S250-D252 PolarHBondContact N-OD2 2.57Å; S250-D252 PolarHBondContact O-N 3.33Å; D252-R256 WeakPolarHBondContact O-CA 3.38Å; D252-R256 WeakPolarHBondContact O-CB 3.38Å; D252-R256 WeakPolarHBondContact O-CG 3.08Å; D252-R256 VanDerWaalsContact O-CZ 3.29Å; D252-R256 PolarHBondContact O-N 2.71Å; D252-R256 PolarHBondContact O-NE 2.68Å
253	N	33.5	Very low	36.8	Very low	99 Å²	99	81.6 Å²	81.6	53%	0.529	39%	0.391	S	S	.	.	H	α-helix	trans	-70.9	-45.9	164	-86.1	-14.7	0	0	0	113.6	S250 S251 R256 N257	S250-N253 PolarHBondContact O-N 3.01Å; S251-N253 CarbonylContact O-C 3.22Å; S251-N253 VanDerWaalsContact O-C 3.26Å; S251-N253 PolarHBondContact O-N 2.8Å; N253-R256 PolarHBondContact OD1-NH2 3.44Å; N253-N257 VanDerWaalsContact O-CB 3.28Å; N253-N257 WeakPolarHBondContact O-CB 3.06Å; N253-N257 PolarHBondContact O-N 3.28Å; N253-N257 PolarHBondContact O-ND2 3.2Å
254	Q	31.3	Very low	37.6	Very low	11 Å²	11	84.2 Å²	84.2	5%	0.051	40%	0.4	C	S	.	.	H	α-helix	trans	-67.3	-47.6	164.1	-150.8	-159	129.7	0	0	118.1	S251 R256 N257 F258 R557 H558	S251-Q254 CarbonylContact O-C 3.6Å; S251-Q254 WeakPolarHBondContact O-CA 3Å; S251-Q254 WeakPolarHBondContact O-CB 2.96Å; S251-Q254 PolarHBondContact O-N 2.99Å; Q254-R256 VanDerWaalsContact C-N 3.29Å; Q254-N257 CarbonylContact O-C 3.57Å; Q254-N257 VanDerWaalsContact O-C 3.29Å; Q254-N257 WeakPolarHBondContact O-CA 3.02Å; Q254-N257 PolarHBondContact O-N 3.24Å; Q254-F258 WeakPolarHBondContact O-CA 3.38Å; Q254-F258 WeakPolarHBondContact O-CB 3.25Å; Q254-F258 PolarHBondContact O-N 2.99Å; Q254-R557 VanDerWaalsContact CB-O 3.26Å; Q254-R557 WeakPolarHBondContact CB-O 3.4Å; Q254-R557 HydrophobicContact CG-CB 4.16Å; Q254-R557 HydrophobicContact CG-CG 4.22Å; Q254-R557 WeakPolarHBondContact CG-O 3.14Å; Q254-R557 VanDerWaalsContact NE2-NE 3.2Å; Q254-H558 PolarHBondContact NE2-CD2 2.91Å; Q254-H558 PolarHBondContact NE2-CE1 3.42Å; Q254-H558 PolarHBondContact NE2-ND1 3.25Å; Q254-H558 VanDerWaalsContact NE2-ND1 3.14Å
255	I	35.7	Very low	38.5	Very low	56 Å²	56	82.9 Å²	82.9	29%	0.287	39%	0.392	S	S	.	.	H	α-helix	trans	-57.6	-38.3	168	-80.3	173	0	0	0	109.5	N249 S251 F258 Q259	N249-I255 WeakPolarHBondContact OD1-CD1 3.08Å; S251-I255 PolarHBondContact O-N 2.8Å; I255-F258 PolarHBondContact O-N 3.02Å; I255-Q259 HydrophobicContact CG2-CG 4.11Å; I255-Q259 WeakPolarHBondContact O-CA 3.05Å; I255-Q259 WeakPolarHBondContact O-CB 3.43Å; I255-Q259 WeakPolarHBondContact O-CG 3.28Å; I255-Q259 PolarHBondContact O-N 2.77Å
256	R	38.1	Very low	39.6	Very low	137 Å²	137	75.4 Å²	75.4	52%	0.517	37%	0.369	S	S	.	.	H	α-helix	trans	-67.4	-38.1	165.2	-72.8	178.4	-66.9	-106.4	3.5	112.2	D252 N253 Q254 F258 S260	D252-R256 WeakPolarHBondContact O-CA 3.38Å; D252-R256 WeakPolarHBondContact O-CB 3.38Å; D252-R256 WeakPolarHBondContact O-CG 3.08Å; D252-R256 VanDerWaalsContact O-CZ 3.29Å; D252-R256 PolarHBondContact O-N 2.71Å; D252-R256 PolarHBondContact O-NE 2.68Å; N253-R256 PolarHBondContact OD1-NH2 3.44Å; Q254-R256 VanDerWaalsContact C-N 3.29Å; R256-F258 VanDerWaalsContact C-N 3.33Å; R256-F258 PolarHBondContact O-N 3.47Å; R256-S260 WeakPolarHBondContact O-CA 2.93Å; R256-S260 WeakPolarHBondContact O-CB 3.38Å; R256-S260 PolarHBondContact O-N 3.05Å
257	N	38.2	Very low	40.6	Very low	63 Å²	63	70.7 Å²	70.7	34%	0.337	35%	0.351	S	S	.	.	H	α-helix	trans	-71.1	-24.4	175	-73.4	-21.1	0	0	0	113.5	N253 Q254 L261 Y337	N253-N257 VanDerWaalsContact O-CB 3.28Å; N253-N257 WeakPolarHBondContact O-CB 3.06Å; N253-N257 PolarHBondContact O-N 3.28Å; N253-N257 PolarHBondContact O-ND2 3.2Å; Q254-N257 CarbonylContact O-C 3.57Å; Q254-N257 VanDerWaalsContact O-C 3.29Å; Q254-N257 WeakPolarHBondContact O-CA 3.02Å; Q254-N257 PolarHBondContact O-N 3.24Å; N257-L261 WeakPolarHBondContact O-CA 2.94Å; N257-L261 WeakPolarHBondContact O-CB 3.37Å; N257-L261 PolarHBondContact O-N 3.31Å; N257-Y337 HydrophobicContact CB-CE2 4.38Å
258	F	37.1	Very low	41.6	Very low	116 Å²	116	70.4 Å²	70.4	51%	0.509	35%	0.351	S	S	.	.	H	α-helix	trans	-97.3	-29.5	-176.5	-169.1	-84.4	0	0	0	109.8	Q254 I255 R256 L262	Q254-F258 WeakPolarHBondContact O-CA 3.38Å; Q254-F258 WeakPolarHBondContact O-CB 3.25Å; Q254-F258 PolarHBondContact O-N 2.99Å; I255-F258 PolarHBondContact O-N 3.02Å; R256-F258 VanDerWaalsContact C-N 3.33Å; R256-F258 PolarHBondContact O-N 3.47Å; F258-L262 WeakPolarHBondContact O-CA 3.26Å; F258-L262 WeakPolarHBondContact O-CB 3.38Å; F258-L262 PolarHBondContact O-N 3.11Å
259	Q	42.5	Very low	42.4	Very low	111 Å²	111	71.3 Å²	71.3	52%	0.519	36%	0.355	S	S	.	.	H	α-helix	trans	-71.9	-34.3	160	-71.6	167.7	-10	0	0	110.3	I255 R263	I255-Q259 HydrophobicContact CG2-CG 4.11Å; I255-Q259 WeakPolarHBondContact O-CA 3.05Å; I255-Q259 WeakPolarHBondContact O-CB 3.43Å; I255-Q259 WeakPolarHBondContact O-CG 3.28Å; I255-Q259 PolarHBondContact O-N 2.77Å; Q259-R263 WeakPolarHBondContact O-CA 3.14Å; Q259-R263 WeakPolarHBondContact O-CB 3.22Å; Q259-R263 PolarHBondContact O-N 3.34Å
260	S	45.3	Very low	43	Very low	49 Å²	49	71.1 Å²	71.1	34%	0.343	35%	0.353	S	S	.	.	H	α-helix	trans	-71.5	-38.3	171	-177.9	0	0	0	0	110.4	R256 K264	R256-S260 WeakPolarHBondContact O-CA 2.93Å; R256-S260 WeakPolarHBondContact O-CB 3.38Å; R256-S260 PolarHBondContact O-N 3.05Å; S260-K264 WeakPolarHBondContact O-CB 3.4Å; S260-K264 WeakPolarHBondContact O-CG 3.32Å; S260-K264 PolarHBondContact O-N 2.94Å
261	L	45.1	Very low	43.2	Very low	60 Å²	60	69 Å²	69	31%	0.314	34%	0.338	S	S	.	.	H	α-helix	trans	-68.1	-42.2	171.4	-162.2	70.9	0	0	0	111	N257 K264 L265	N257-L261 WeakPolarHBondContact O-CA 2.94Å; N257-L261 WeakPolarHBondContact O-CB 3.37Å; N257-L261 PolarHBondContact O-N 3.31Å; L261-K264 CarbonylContact O-C 3.6Å; L261-K264 PolarHBondContact O-N 2.88Å; L261-L265 WeakPolarHBondContact O-CA 2.8Å; L261-L265 WeakPolarHBondContact O-CB 3.23Å; L261-L265 PolarHBondContact O-N 3.1Å
262	L	46.3	Very low	44.2	Very low	79 Å²	79	74.2 Å²	74.2	41%	0.414	36%	0.357	S	S	.	.	H	α-helix	trans	-71.8	-32.2	177.5	-174	72.5	0	0	0	111.2	F258 L265 L266	F258-L262 WeakPolarHBondContact O-CA 3.26Å; F258-L262 WeakPolarHBondContact O-CB 3.38Å; F258-L262 PolarHBondContact O-N 3.11Å; L262-L265 CarbonylContact O-C 3.15Å; L262-L265 PolarHBondContact O-N 3.27Å; L262-L266 HydrophobicContact CD1-CG 4.5Å; L262-L266 HydrophobicContact CD2-CD1 4.45Å; L262-L266 HydrophobicContact CG-CD1 3.93Å; L262-L266 HydrophobicContact CG-CG 4.3Å; L262-L266 WeakPolarHBondContact O-CA 2.73Å; L262-L266 WeakPolarHBondContact O-CB 2.86Å; L262-L266 WeakPolarHBondContact O-CD1 2.25Å; L262-L266 WeakPolarHBondContact O-CG 2.26Å; L262-L266 PolarHBondContact O-N 3.17Å
263	R	47.1	Very low	45.1	Very low	130 Å²	130	74.3 Å²	74.3	49%	0.491	36%	0.355	S	S	.	.	H	α-helix	trans	-79.5	-26.8	174.1	-165.3	173.6	-159.5	-98.2	-0.4	111.2	Q259 C267 C366	Q259-R263 WeakPolarHBondContact O-CA 3.14Å; Q259-R263 WeakPolarHBondContact O-CB 3.22Å; Q259-R263 PolarHBondContact O-N 3.34Å; R263-C267 WeakPolarHBondContact O-CA 3.32Å; R263-C267 WeakPolarHBondContact O-CB 2.83Å; R263-C267 PolarHBondContact O-N 2.94Å; R263-C267 PolarHBondContact O-SG 2.67Å; R263-C366 PolarHBondContact NH1-O 2.77Å; R263-C366 PolarHBondContact NH2-O 2.75Å
264	K	48.9	Very low	45.8	Very low	131 Å²	131	73 Å²	73	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-74.6	-38	164.3	-76.2	168.9	-179.4	169.8	0	111.8	S260 L261 D268	S260-K264 WeakPolarHBondContact O-CB 3.4Å; S260-K264 WeakPolarHBondContact O-CG 3.32Å; S260-K264 PolarHBondContact O-N 2.94Å; L261-K264 CarbonylContact O-C 3.6Å; L261-K264 PolarHBondContact O-N 2.88Å; K264-D268 WeakPolarHBondContact O-CB 3.24Å; K264-D268 PolarHBondContact O-N 2.68Å
265	L	48.6	Very low	46.7	Very low	83 Å²	83	73.1 Å²	73.1	44%	0.435	35%	0.349	S	S	.	.	H	α-helix	trans	-72.2	-36.8	177.2	-160.9	83.7	0	0	0	110.5	L261 L262 D268 I269	L261-L265 WeakPolarHBondContact O-CA 2.8Å; L261-L265 WeakPolarHBondContact O-CB 3.23Å; L261-L265 PolarHBondContact O-N 3.1Å; L262-L265 CarbonylContact O-C 3.15Å; L262-L265 PolarHBondContact O-N 3.27Å; L265-D268 CarbonylContact O-C 3.1Å; L265-D268 PolarHBondContact O-N 3.46Å; L265-I269 HydrophobicContact CD2-CD1 4.06Å; L265-I269 HydrophobicContact CG-CD1 3.91Å; L265-I269 WeakPolarHBondContact O-CA 3.39Å; L265-I269 WeakPolarHBondContact O-CB 3.4Å; L265-I269 WeakPolarHBondContact O-CD1 3.41Å; L265-I269 WeakPolarHBondContact O-CG1 2.81Å; L265-I269 PolarHBondContact O-N 3.47Å
266	L	46.9	Very low	47.8	Very low	63 Å²	63	72.7 Å²	72.7	33%	0.33	35%	0.353	S	S	.	.	H	α-helix	trans	-74.6	-42.3	171.4	-73.4	168.6	0	0	0	110.5	L262 D268 I269 L270	L262-L266 HydrophobicContact CD1-CG 4.5Å; L262-L266 HydrophobicContact CD2-CD1 4.45Å; L262-L266 HydrophobicContact CG-CD1 3.93Å; L262-L266 HydrophobicContact CG-CG 4.3Å; L262-L266 WeakPolarHBondContact O-CA 2.73Å; L262-L266 WeakPolarHBondContact O-CB 2.86Å; L262-L266 WeakPolarHBondContact O-CD1 2.25Å; L262-L266 WeakPolarHBondContact O-CG 2.26Å; L262-L266 PolarHBondContact O-N 3.17Å; L266-D268 PolarHBondContact O-N 3.13Å; L266-I269 PolarHBondContact O-N 2.89Å; L266-L270 HydrophobicContact CB-CD1 4.49Å; L266-L270 WeakPolarHBondContact O-CA 3.09Å; L266-L270 WeakPolarHBondContact O-CB 3.06Å; L266-L270 WeakPolarHBondContact O-CG 3.4Å; L266-L270 PolarHBondContact O-N 3.4Å
267	C	49.4	Very low	48.5	Very low	23 Å²	23	71.7 Å²	71.7	16%	0.155	36%	0.358	C	S	.	.	H	α-helix	trans	-64.8	-28.4	170.4	-69.7	0	0	0	0	111.1	R263 T271 C366	R263-C267 WeakPolarHBondContact O-CA 3.32Å; R263-C267 WeakPolarHBondContact O-CB 2.83Å; R263-C267 PolarHBondContact O-N 2.94Å; R263-C267 PolarHBondContact O-SG 2.67Å; C267-T271 WeakPolarHBondContact O-CA 3.2Å; C267-T271 WeakPolarHBondContact O-CB 3.36Å; C267-T271 PolarHBondContact O-N 3.28Å; C267-T271 PolarHBondContact O-OG1 2.8Å; C267-C366 WeakPolarHBondContact CB-SG 3.27Å; C267-C366 WeakPolarHBondContact SG-CB 3.17Å; C267-C366 CovalentContact SG-SG 2.07Å; C267-C366 PolarHBondContact SG-SG 3.01Å
268	D	50.4	Low	49	Very low	59 Å²	59	72.6 Å²	72.6	32%	0.316	36%	0.359	S	S	.	.	H	α-helix	trans	-76.4	-39	171.2	-90	-10.7	0	0	0	112.8	K264 L265 L266 R272	K264-D268 WeakPolarHBondContact O-CB 3.24Å; K264-D268 PolarHBondContact O-N 2.68Å; L265-D268 CarbonylContact O-C 3.1Å; L265-D268 PolarHBondContact O-N 3.46Å; L266-D268 PolarHBondContact O-N 3.13Å; D268-R272 VanDerWaalsContact O-CB 3.31Å; D268-R272 WeakPolarHBondContact O-CB 3.11Å; D268-R272 WeakPolarHBondContact O-CD 2.92Å; D268-R272 WeakPolarHBondContact O-CG 3.5Å; D268-R272 PolarHBondContact O-N 2.84Å
269	I	50.6	Low	49.5	Very low	31 Å²	31	68.8 Å²	68.8	16%	0.159	34%	0.342	C	S	.	.	H	α-helix	trans	-72	-51.3	177.5	-74.9	163.5	0	0	0	109.1	L265 L266 T271 R272 E273 I311	L265-I269 HydrophobicContact CD2-CD1 4.06Å; L265-I269 HydrophobicContact CG-CD1 3.91Å; L265-I269 WeakPolarHBondContact O-CA 3.39Å; L265-I269 WeakPolarHBondContact O-CB 3.4Å; L265-I269 WeakPolarHBondContact O-CD1 3.41Å; L265-I269 WeakPolarHBondContact O-CG1 2.81Å; L265-I269 PolarHBondContact O-N 3.47Å; L266-I269 PolarHBondContact O-N 2.89Å; I269-T271 VanDerWaalsContact C-N 3.3Å; I269-T271 PolarHBondContact O-N 3.06Å; I269-R272 CarbonylContact O-C 3.26Å; I269-R272 WeakPolarHBondContact O-CA 3.38Å; I269-R272 WeakPolarHBondContact O-CB 3.49Å; I269-R272 PolarHBondContact O-N 2.8Å; I269-E273 HydrophobicContact CG2-CG 4.22Å; I269-E273 WeakPolarHBondContact O-CB 3.47Å; I269-E273 WeakPolarHBondContact O-CG 3.49Å; I269-E273 PolarHBondContact O-N 3.33Å; I269-I311 HydrophobicContact CG2-CD1 4.25Å
270	L	48.7	Very low	49.9	Very low	56 Å²	56	70.6 Å²	70.6	29%	0.293	35%	0.348	S	S	.	.	H	α-helix	trans	-60.5	-36.8	171.1	-63.4	169.3	0	0	0	111.2	L266 E273 L274	L266-L270 HydrophobicContact CB-CD1 4.49Å; L266-L270 WeakPolarHBondContact O-CA 3.09Å; L266-L270 WeakPolarHBondContact O-CB 3.06Å; L266-L270 WeakPolarHBondContact O-CG 3.4Å; L266-L270 PolarHBondContact O-N 3.4Å; L270-E273 PolarHBondContact O-N 2.68Å; L270-L274 WeakPolarHBondContact O-CA 3.15Å; L270-L274 WeakPolarHBondContact O-CB 3.27Å; L270-L274 WeakPolarHBondContact O-CD1 2.9Å; L270-L274 WeakPolarHBondContact O-CG 3.39Å; L270-L274 PolarHBondContact O-N 3.14Å
271	T	55.2	Low	50	Low	28 Å²	28	75.2 Å²	75.2	17%	0.172	37%	0.369	C	S	.	.	H	α-helix	trans	-65.8	-41.2	170.6	-66.7	0	0	0	0	110.7	C267 I269 L275 L358	C267-T271 WeakPolarHBondContact O-CA 3.2Å; C267-T271 WeakPolarHBondContact O-CB 3.36Å; C267-T271 PolarHBondContact O-N 3.28Å; C267-T271 PolarHBondContact O-OG1 2.8Å; I269-T271 VanDerWaalsContact C-N 3.3Å; I269-T271 PolarHBondContact O-N 3.06Å; T271-L275 HydrophobicContact CG2-CD1 3.68Å; T271-L275 HydrophobicContact CG2-CG 4.09Å; T271-L275 WeakPolarHBondContact O-CB 3.19Å; T271-L275 WeakPolarHBondContact O-CG 3.19Å; T271-L275 PolarHBondContact O-N 3.01Å; T271-L358 HydrophobicContact CG2-CD1 4.4Å
272	R	53.8	Low	50.1	Low	114 Å²	114	77.4 Å²	77.4	43%	0.43	38%	0.376	S	S	.	.	H	α-helix	trans	-66.7	-36.2	175.4	-75.7	168.1	-168.6	177.1	9.8	113	D268 I269 A276	D268-R272 VanDerWaalsContact O-CB 3.31Å; D268-R272 WeakPolarHBondContact O-CB 3.11Å; D268-R272 WeakPolarHBondContact O-CD 2.92Å; D268-R272 WeakPolarHBondContact O-CG 3.5Å; D268-R272 PolarHBondContact O-N 2.84Å; I269-R272 CarbonylContact O-C 3.26Å; I269-R272 WeakPolarHBondContact O-CA 3.38Å; I269-R272 WeakPolarHBondContact O-CB 3.49Å; I269-R272 PolarHBondContact O-N 2.8Å; R272-A276 WeakPolarHBondContact O-CA 3.5Å; R272-A276 WeakPolarHBondContact O-CB 3.13Å; R272-A276 PolarHBondContact O-N 3.33Å
273	E	54.7	Low	49.8	Very low	62 Å²	62	77.7 Å²	77.7	29%	0.29	38%	0.382	S	S	.	.	H	α-helix	trans	-79.8	-41.2	-179.5	-73.3	177.5	161.7	0	0	111.2	I269 L270 A276 N277	I269-E273 HydrophobicContact CG2-CG 4.22Å; I269-E273 WeakPolarHBondContact O-CB 3.47Å; I269-E273 WeakPolarHBondContact O-CG 3.49Å; I269-E273 PolarHBondContact O-N 3.33Å; L270-E273 PolarHBondContact O-N 2.68Å; E273-A276 PolarHBondContact O-N 3.42Å; E273-N277 WeakPolarHBondContact O-CB 2.12Å; E273-N277 VanDerWaalsContact O-CG 3.22Å; E273-N277 PolarHBondContact O-N 2.82Å; E273-N277 PolarHBondContact O-ND2 3.39Å; E273-N277 VanDerWaalsContact O-ND2 3.08Å
274	L	49.1	Very low	49.5	Very low	71 Å²	71	78.7 Å²	78.7	37%	0.372	39%	0.387	S	S	.	.	H	α-helix	trans	-63.6	-42.8	169.1	-68.6	168.8	0	0	0	110.3	L270 K278	L270-L274 WeakPolarHBondContact O-CA 3.15Å; L270-L274 WeakPolarHBondContact O-CB 3.27Å; L270-L274 WeakPolarHBondContact O-CD1 2.9Å; L270-L274 WeakPolarHBondContact O-CG 3.39Å; L270-L274 PolarHBondContact O-N 3.14Å; L274-K278 WeakPolarHBondContact O-CB 2.98Å; L274-K278 PolarHBondContact O-N 3.18Å
275	L	50.1	Low	48.7	Very low	14 Å²	14	74.6 Å²	74.6	7%	0.073	37%	0.37	C	S	.	.	H	α-helix	trans	-66.7	-38.7	173.3	-70.6	175.9	0	0	0	112.1	T271 Y279 I286 F354 L358	T271-L275 HydrophobicContact CG2-CD1 3.68Å; T271-L275 HydrophobicContact CG2-CG 4.09Å; T271-L275 WeakPolarHBondContact O-CB 3.19Å; T271-L275 WeakPolarHBondContact O-CG 3.19Å; T271-L275 PolarHBondContact O-N 3.01Å; L275-Y279 HydrophobicContact CB-CD2 4.39Å; L275-Y279 HydrophobicContact CD2-CD2 3.62Å; L275-Y279 HydrophobicContact CD2-CE2 3.58Å; L275-Y279 VanDerWaalsContact O-CA 3.3Å; L275-Y279 WeakPolarHBondContact O-CA 2.13Å; L275-Y279 VanDerWaalsContact O-CB 3.23Å; L275-Y279 WeakPolarHBondContact O-CB 3.46Å; L275-Y279 WeakPolarHBondContact O-CD2 2.45Å; L275-Y279 PolarHBondContact O-N 2.85Å; L275-I286 HydrophobicContact CB-CD1 4.3Å; L275-I286 HydrophobicContact CB-CG1 4.37Å; L275-F354 HydrophobicContact CD2-CE2 3.78Å; L275-F354 HydrophobicContact CD2-CZ 3.57Å; L275-L358 HydrophobicContact CD2-CD1 4.18Å
276	A	58.2	Low	48.2	Very low	46 Å²	46	72.8 Å²	72.8	38%	0.38	36%	0.361	S	S	.	.	H	α-helix	trans	-74.7	-29.7	179.2	0	0	0	0	0	113.2	R272 E273 K280 I286	R272-A276 WeakPolarHBondContact O-CA 3.5Å; R272-A276 WeakPolarHBondContact O-CB 3.13Å; R272-A276 PolarHBondContact O-N 3.33Å; E273-A276 PolarHBondContact O-N 3.42Å; A276-K280 WeakPolarHBondContact O-CA 3.19Å; A276-K280 WeakPolarHBondContact O-CB 3.33Å; A276-K280 PolarHBondContact O-N 2.94Å; A276-K280 VanDerWaalsContact O-N 3.12Å; A276-I286 HydrophobicContact CB-CD1 4.47Å
277	N	52.1	Low	47.7	Very low	117 Å²	117	77.9 Å²	77.9	63%	0.626	38%	0.383	S	S	*	.	H	α-helix	trans	-80.5	-37.3	174.3	-73	-36.8	0	0	0	111.7	E273	E273-N277 WeakPolarHBondContact O-CB 2.12Å; E273-N277 VanDerWaalsContact O-CG 3.22Å; E273-N277 PolarHBondContact O-N 2.82Å; E273-N277 PolarHBondContact O-ND2 3.39Å; E273-N277 VanDerWaalsContact O-ND2 3.08Å
278	K	49.3	Very low	46.8	Very low	82 Å²	82	79.3 Å²	79.3	36%	0.357	39%	0.393	S	S	.	.	H	α-helix	trans	-84.6	-32.4	-179.7	-173.1	178.4	171.6	-173.3	0	114	L274 E357	L274-K278 WeakPolarHBondContact O-CB 2.98Å; L274-K278 PolarHBondContact O-N 3.18Å; K278-E357 IonicContact NZ-OE1 2.94Å; K278-E357 PolarHBondContact NZ-OE1 2.95Å; K278-E357 IonicContact NZ-OE2 3.48Å; K278-E357 PolarHBondContact NZ-OE2 3.15Å
279	Y	47.1	Very low	45.6	Very low	35 Å²	35	79.7 Å²	79.7	14%	0.137	40%	0.398	C	S	.	.	S	Bend	trans	-110.1	31.9	173.1	-54.9	-78.7	0	0	0	111.1	L275 D281 K282 M285 F354	L275-Y279 HydrophobicContact CB-CD2 4.39Å; L275-Y279 HydrophobicContact CD2-CD2 3.62Å; L275-Y279 HydrophobicContact CD2-CE2 3.58Å; L275-Y279 VanDerWaalsContact O-CA 3.3Å; L275-Y279 WeakPolarHBondContact O-CA 2.13Å; L275-Y279 VanDerWaalsContact O-CB 3.23Å; L275-Y279 WeakPolarHBondContact O-CB 3.46Å; L275-Y279 WeakPolarHBondContact O-CD2 2.45Å; L275-Y279 PolarHBondContact O-N 2.85Å; Y279-D281 PolarHBondContact O-N 2.68Å; Y279-K282 HydrophobicContact CD1-CB 4.35Å; Y279-K282 CarbonylContact O-C 3.48Å; Y279-K282 WeakPolarHBondContact O-CA 3.11Å; Y279-K282 PolarHBondContact O-N 3.44Å; Y279-M285 HydrophobicContact CD1-CG 4.4Å; Y279-M285 HydrophobicContact CG-CB 4.46Å; Y279-F354 HydrophobicContact CD2-CE2 4.21Å; Y279-F354 HydrophobicContact CE1-CD2 4.24Å; Y279-F354 HydrophobicContact CE1-CE2 4.41Å; Y279-F354 AromaticContact CE2-CD2 3.87Å; Y279-F354 HydrophobicContact CE2-CD2 3.87Å; Y279-F354 AromaticContact CE2-CE2 3.5Å; Y279-F354 HydrophobicContact CE2-CE2 3.5Å; Y279-F354 VanDerWaalsContact CE2-CE2 3.5Å; Y279-F354 HydrophobicContact CE2-CZ 4.5Å; Y279-F354 AromaticContact CZ-CD2 3.51Å; Y279-F354 AromaticContact CZ-CE2 3.64Å; Y279-F354 WeakPolarHBondContact OH-CD2 2.59Å
280	K	50.9	Low	44.6	Very low	150 Å²	150	81.7 Å²	81.7	65%	0.652	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-38.3	171	-163.1	172.2	-178.6	176.9	0	111.6	A276	A276-K280 WeakPolarHBondContact O-CA 3.19Å; A276-K280 WeakPolarHBondContact O-CB 3.33Å; A276-K280 PolarHBondContact O-N 2.94Å; A276-K280 VanDerWaalsContact O-N 3.12Å
281	D	48	Very low	43.7	Very low	145 Å²	145	82.6 Å²	82.6	78%	0.775	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-1.6	178.6	-43.4	-51.9	0	0	0	113.3	Y279	Y279-D281 PolarHBondContact O-N 2.68Å
282	K	46.5	Very low	42.4	Very low	107 Å²	107	84.7 Å²	84.7	47%	0.465	44%	0.438	S	S	.	.			trans	-142	54.2	-175.7	-62.6	-178.5	-177.3	171.4	0	112.9	Y279 Y284 M285	Y279-K282 HydrophobicContact CD1-CB 4.35Å; Y279-K282 CarbonylContact O-C 3.48Å; Y279-K282 WeakPolarHBondContact O-CA 3.11Å; Y279-K282 PolarHBondContact O-N 3.44Å; K282-Y284 HydrophobicContact CB-CD1 4.36Å; K282-Y284 HydrophobicContact CB-CE1 3.73Å; K282-Y284 HydrophobicContact CG-CE1 4.07Å; K282-Y284 PolarHBondContact O-N 3.2Å; K282-M285 HydrophobicContact CB-CG 3.97Å; K282-M285 WeakPolarHBondContact O-CB 3.44Å; K282-M285 WeakPolarHBondContact O-CG 2.13Å; K282-M285 PolarHBondContact O-N 2.95Å
283	P	40.7	Very low	41.2	Very low	84 Å²	84	82 Å²	82	55%	0.545	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-61.8	-18.4	-171.9	24.5	-35.6	0	0	0	115.1	M285 I286	P283-M285 PolarHBondContact O-N 3Å; P283-I286 PolarHBondContact O-N 2.81Å
284	Y	40.9	Very low	40	Very low	151 Å²	151	82.9 Å²	82.9	59%	0.592	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-63.6	-22.8	174.2	66.4	-89.6	0	0	0	113.2	K282 I286	K282-Y284 HydrophobicContact CB-CD1 4.36Å; K282-Y284 HydrophobicContact CB-CE1 3.73Å; K282-Y284 HydrophobicContact CG-CE1 4.07Å; K282-Y284 PolarHBondContact O-N 3.2Å; Y284-I286 PolarHBondContact O-N 3.36Å
285	M	32.4	Very low	39.1	Very low	45 Å²	45	85.2 Å²	85.2	22%	0.222	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-71.5	-8.5	179.8	-60.5	-97.7	57.6	0	0	113.6	Y279 K282 P283	Y279-M285 HydrophobicContact CD1-CG 4.4Å; Y279-M285 HydrophobicContact CG-CB 4.46Å; K282-M285 HydrophobicContact CB-CG 3.97Å; K282-M285 WeakPolarHBondContact O-CB 3.44Å; K282-M285 WeakPolarHBondContact O-CG 2.13Å; K282-M285 PolarHBondContact O-N 2.95Å; P283-M285 PolarHBondContact O-N 3Å
286	I	36.5	Very low	38.1	Very low	45 Å²	45	92.7 Å²	92.7	23%	0.231	47%	0.471	C	S	.	.	G	3₁₀ helix	trans	-98.8	-2.1	-168.5	-47.9	-178.6	0	0	0	112	L275 A276 P283 Y284 S288	L275-I286 HydrophobicContact CB-CD1 4.3Å; L275-I286 HydrophobicContact CB-CG1 4.37Å; A276-I286 HydrophobicContact CB-CD1 4.47Å; P283-I286 PolarHBondContact O-N 2.81Å; Y284-I286 PolarHBondContact O-N 3.36Å; I286-S288 PolarHBondContact O-N 3Å
287	Q	37	Very low	36.6	Very low	171 Å²	171	93.8 Å²	93.8	80%	0.799	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	62.9	-168.1	-62.9	-167.1	-4.5	0	0	116.1
288	S	30.1	Very low	35.4	Very low	52 Å²	52	91.7 Å²	91.7	36%	0.364	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.9	-16.4	165.7	-163.9	0	0	0	0	116.3	I286 V290 C345	I286-S288 PolarHBondContact O-N 3Å; S288-V290 VanDerWaalsContact C-N 3.32Å; S288-V290 PolarHBondContact O-N 2.07Å; S288-C345 WeakPolarHBondContact CB-O 3.49Å; S288-C345 PolarHBondContact OG-O 2.82Å
289	T	26	Very low	34.4	Very low	68 Å²	68	93.9 Å²	93.9	42%	0.417	47%	0.474	S	S	.	.			trans	-81.1	61.1	-172	42.1	0	0	0	0	114.6
290	V	29.6	Very low	33.5	Very low	72 Å²	72	93.9 Å²	93.9	44%	0.436	48%	0.478	S	S	.	.			trans	-159.4	128.5	152.1	123.5	0	0	0	0	112.1	S288 H294	S288-V290 VanDerWaalsContact C-N 3.32Å; S288-V290 PolarHBondContact O-N 2.07Å; V290-H294 HydrophobicContact CG1-CB 4.08Å; V290-H294 HydrophobicContact CG2-CB 3.79Å
291	S	29.2	Very low	32.2	Very low	75 Å²	75	93.6 Å²	93.6	52%	0.524	48%	0.477	S	S	.	.			trans	-73	151.8	174.8	176.9	0	0	0	0	111.8	N293 H294	S291-N293 PolarHBondContact O-N 2.86Å; S291-H294 WeakPolarHBondContact O-CB 2.13Å; S291-H294 PolarHBondContact O-N 3.4Å
292	S	28.5	Very low	31.2	Very low	73 Å²	73	89 Å²	89	51%	0.51	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-18.2	-178.7	52.8	0	0	0	0	114.7
293	N	28.1	Very low	30.2	Very low	57 Å²	57	89.8 Å²	89.8	31%	0.305	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-29.4	177.4	-59.2	-20	0	0	0	112.4	S291 K295 R296 L553	S291-N293 PolarHBondContact O-N 2.86Å; N293-K295 PolarHBondContact O-N 3.01Å; N293-R296 PolarHBondContact O-N 3.36Å; N293-R296 VanDerWaalsContact O-N 3.11Å; N293-L553 HydrophobicContact CB-CD2 4.05Å; N293-L553 WeakPolarHBondContact ND2-CD2 2.12Å; N293-L553 VanDerWaalsContact ND2-CG 3.33Å; N293-L553 WeakPolarHBondContact ND2-CG 2.12Å
294	H	30.6	Very low	29.7	Very low	81 Å²	81	90.6 Å²	90.6	38%	0.375	47%	0.469	S	S	.	.	H	α-helix	trans	-62.6	-34.6	173.6	-141.9	117.1	0	0	0	110.5	V290 S291 R296 Y297 C298	V290-H294 HydrophobicContact CG1-CB 4.08Å; V290-H294 HydrophobicContact CG2-CB 3.79Å; S291-H294 WeakPolarHBondContact O-CB 2.13Å; S291-H294 PolarHBondContact O-N 3.4Å; H294-R296 PolarHBondContact O-N 3.25Å; H294-R296 VanDerWaalsContact O-N 3.15Å; H294-Y297 PolarHBondContact O-N 3.33Å; H294-C298 PolarHBondContact O-N 3.22Å
295	K	30	Very low	29	Very low	120 Å²	120	87 Å²	87	52%	0.522	46%	0.462	S	S	.	.	H	α-helix	trans	-66.9	-9.7	176.4	-142.4	171.3	-172.9	175.4	0	114.5	N293 N299	N293-K295 PolarHBondContact O-N 3.01Å; K295-N299 PolarHBondContact O-OD1 2.95Å; K295-N299 VanDerWaalsContact O-OD1 3.12Å
296	R	28.6	Very low	28.8	Very low	171 Å²	171	91.1 Å²	91.1	65%	0.645	49%	0.49	S	S	*	.	H	α-helix	trans	-84.3	-23.4	166.5	-71	-171.1	179.8	-177.7	1.9	113.2	N293 H294	N293-R296 PolarHBondContact O-N 3.36Å; N293-R296 VanDerWaalsContact O-N 3.11Å; H294-R296 PolarHBondContact O-N 3.25Å; H294-R296 VanDerWaalsContact O-N 3.15Å
297	Y	26.1	Very low	28.2	Very low	68 Å²	68	93.5 Å²	93.5	27%	0.267	50%	0.502	S	S	.	.	H	α-helix	trans	-97.6	-10.2	-176.9	-74.6	-62.3	0	0	0	114.5	H294 T300 F332 K555 Y556	H294-Y297 PolarHBondContact O-N 3.33Å; Y297-T300 PolarHBondContact O-OG1 2.75Å; Y297-F332 HydrophobicContact CD1-CD1 4.47Å; Y297-F332 AromaticContact CD1-CE1 3.82Å; Y297-F332 HydrophobicContact CD1-CE1 3.82Å; Y297-F332 HydrophobicContact CD1-CZ 4.33Å; Y297-F332 HydrophobicContact CE1-CE1 4.48Å; Y297-K555 HydrophobicContact CD1-CD 3.73Å; Y297-K555 HydrophobicContact CD2-CD 4.06Å; Y297-K555 HydrophobicContact CE1-CD 3.44Å; Y297-K555 VanDerWaalsContact CE1-CD 3.44Å; Y297-K555 HydrophobicContact CE2-CB 4.35Å; Y297-K555 HydrophobicContact CE2-CD 3.78Å; Y297-K555 HydrophobicContact CG-CD 4.03Å; Y297-K555 VanDerWaalsContact CZ-CD 3.47Å; Y297-Y556 HydrophobicContact CE1-CE1 4.05Å
298	C	27.7	Very low	27.9	Very low	74 Å²	74	93.2 Å²	93.2	50%	0.5	50%	0.501	S	S	.	.	S	Bend	trans	-86.5	-28.6	169	-56.9	0	0	0	0	112.9	H294 T300 F301	H294-C298 PolarHBondContact O-N 3.22Å; C298-T300 PolarHBondContact O-N 2.79Å; C298-F301 PolarHBondContact O-N 2.75Å
299	N	27.2	Very low	27.8	Very low	127 Å²	127	96.3 Å²	96.3	68%	0.679	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	28.1	-176.9	-71.4	29.1	0	0	0	114.3	K295	K295-N299 PolarHBondContact O-OD1 2.95Å; K295-N299 VanDerWaalsContact O-OD1 3.12Å
300	T	28.4	Very low	27.8	Very low	35 Å²	35	96.5 Å²	96.5	22%	0.215	52%	0.516	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-15.5	174	30.4	0	0	0	0	112.2	Y297 C298 L330	Y297-T300 PolarHBondContact O-OG1 2.75Å; C298-T300 PolarHBondContact O-N 2.79Å; T300-L330 HydrophobicContact CG2-CB 4.15Å; T300-L330 HydrophobicContact CG2-CD1 4.13Å; T300-L330 HydrophobicContact CG2-CD2 4.34Å; T300-L330 HydrophobicContact CG2-CG 4.43Å; T300-L330 WeakPolarHBondContact O-CB 3.39Å; T300-L330 VanDerWaalsContact O-CD1 3.27Å; T300-L330 WeakPolarHBondContact O-CD1 3.4Å
301	F	24.9	Very low	27.7	Very low	145 Å²	145	97 Å²	97	64%	0.636	52%	0.515	S	S	*	.	S	Bend	trans	-87.6	130.6	163.3	-78.4	-95.9	0	0	0	109.4	C298	C298-F301 PolarHBondContact O-N 2.75Å
302	N	25.3	Very low	27.6	Very low	49 Å²	49	98.5 Å²	98.5	26%	0.262	52%	0.517	S	S	.	.			trans	-68.6	129.2	178.5	-177.8	-20.7	0	0	0	109.5	N304 T328	N302-N304 PolarHBondContact O-N 2.76Å; N302-N304 PolarHBondContact OD1-N 2.71Å; N302-N304 VanDerWaalsContact OD1-N 3.15Å; N302-T328 WeakPolarHBondContact CB-OG1 3.29Å; N302-T328 PolarHBondContact ND2-OG1 3.41Å
303	P	27.5	Very low	27.6	Very low	122 Å²	122	97 Å²	97	79%	0.792	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-0.9	-177.2	27.9	-37.6	0	0	0	116
304	N	28.4	Very low	27.5	Very low	102 Å²	102	99.5 Å²	99.5	55%	0.545	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-11.1	-176.7	-71.2	-3.3	0	0	0	115.3	N302 T306	N302-N304 PolarHBondContact O-N 2.76Å; N302-N304 PolarHBondContact OD1-N 2.71Å; N302-N304 VanDerWaalsContact OD1-N 3.15Å; N304-T306 PolarHBondContact O-N 2.69Å
305	V	28.1	Very low	27.4	Very low	74 Å²	74	100.2 Å²	100.2	45%	0.448	52%	0.523	S	S	.	.			trans	-86.7	104.9	174.8	-170.7	0	0	0	0	111.1	L307 E327	V305-L307 HydrophobicContact CG1-CD1 4.38Å; V305-E327 WeakPolarHBondContact CG2-O 3.48Å
306	T	26.6	Very low	27.3	Very low	133 Å²	133	98.5 Å²	98.5	82%	0.816	52%	0.52	S	S	*	.			trans	-78.8	129.9	164	43	0	0	0	0	110.7	N304	N304-T306 PolarHBondContact O-N 2.69Å
307	L	25.4	Very low	27.4	Very low	94 Å²	94	98.3 Å²	98.3	49%	0.492	52%	0.519	S	S	.	.			trans	-153.6	139.5	167.7	-103.1	169.5	0	0	0	110.6	V305 T313	V305-L307 HydrophobicContact CG1-CD1 4.38Å; L307-T313 HydrophobicContact CB-CG2 4.08Å; L307-T313 HydrophobicContact CD1-CG2 3.6Å; L307-T313 HydrophobicContact CD2-CG2 3.66Å; L307-T313 HydrophobicContact CG-CG2 3.95Å
308	Q	28.7	Very low	27.6	Very low	165 Å²	165	98.8 Å²	98.8	77%	0.771	53%	0.525	S	S	*	.			trans	-85.3	164.3	179.9	-73	146.7	-90.4	0	0	111.8	T313	Q308-T313 PolarHBondContact O-OG1 2.69Å
309	N	29.1	Very low	27.6	Very low	117 Å²	117	97.8 Å²	97.8	63%	0.626	51%	0.511	S	S	*	.			trans	52.3	104.7	167.9	-67.2	-4	0	0	0	118.4	I311 T313	N309-I311 PolarHBondContact O-N 3.32Å; N309-I311 VanDerWaalsContact O-N 3.13Å; N309-T313 PolarHBondContact O-OG1 3.35Å
310	P	26.9	Very low	27.6	Very low	72 Å²	72	96.9 Å²	96.9	47%	0.468	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.9	-164	-17.5	31.3	0	0	0	117.7	I314	P310-I314 WeakPolarHBondContact O-CD1 3.11Å
311	I	27.1	Very low	27.6	Very low	83 Å²	83	98.8 Å²	98.8	43%	0.426	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-19.9	-168.6	-61.9	178.3	0	0	0	112.8	I269 N309	I269-I311 HydrophobicContact CG2-CD1 4.25Å; N309-I311 PolarHBondContact O-N 3.32Å; N309-I311 VanDerWaalsContact O-N 3.13Å
312	I	27.3	Very low	27.7	Very low	107 Å²	107	99.2 Å²	99.2	55%	0.549	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-44.7	179.7	-66.4	174.7	0	0	0	110.7	I314 N315	I312-I314 PolarHBondContact O-N 3.46Å; I312-N315 PolarHBondContact O-N 2.74Å
313	T	27.3	Very low	27.9	Very low	41 Å²	41	102 Å²	102	25%	0.252	55%	0.552	S	S	.	*	H	α-helix	trans	-60.4	-19.2	-177.7	-69.1	0	0	0	0	115.1	L307 Q308 N309 N315	L307-T313 HydrophobicContact CB-CG2 4.08Å; L307-T313 HydrophobicContact CD1-CG2 3.6Å; L307-T313 HydrophobicContact CD2-CG2 3.66Å; L307-T313 HydrophobicContact CG-CG2 3.95Å; Q308-T313 PolarHBondContact O-OG1 2.69Å; N309-T313 PolarHBondContact O-OG1 3.35Å; T313-N315 VanDerWaalsContact C-N 3.35Å
314	I	27.1	Very low	28	Very low	110 Å²	110	101 Å²	101	56%	0.564	55%	0.547	S	S	*	.	H	α-helix	trans	-74.9	-24.7	177.1	-62.2	-178.9	0	0	0	111.9	P310 I312 I318	P310-I314 WeakPolarHBondContact O-CD1 3.11Å; I312-I314 PolarHBondContact O-N 3.46Å; I314-I318 VanDerWaalsContact O-CD1 3.25Å; I314-I318 WeakPolarHBondContact O-CD1 2.27Å
315	N	28	Very low	28	Very low	95 Å²	95	103 Å²	103	51%	0.508	56%	0.558	S	S	.	*	H	α-helix	trans	-97.6	-29	-176	-65.2	-20.9	0	0	0	113.8	I312 T313 I318	I312-N315 PolarHBondContact O-N 2.74Å; T313-N315 VanDerWaalsContact C-N 3.35Å; N315-I318 WeakPolarHBondContact O-CB 3.33Å
316	D	27.5	Very low	28.1	Very low	84 Å²	84	103.3 Å²	103.3	45%	0.449	56%	0.56	S	S	.	*	H	α-helix	trans	-94.8	-37.4	-172.1	-71.7	-41.6	0	0	0	114.5	I318 Y319	D316-I318 PolarHBondContact O-N 2.61Å; D316-I318 VanDerWaalsContact O-N 3.09Å; D316-Y319 PolarHBondContact O-N 3.01Å
317	R	31.6	Very low	28.1	Very low	167 Å²	167	103.6 Å²	103.6	63%	0.63	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	2.3	168.9	-100.4	-169.5	-173.6	178.5	4.3	113	L242 Y319	L242-R317 WeakPolarHBondContact CD1-O 3.42Å; L242-R317 WeakPolarHBondContact CG-O 3.31Å; R317-Y319 PolarHBondContact O-N 2.85Å
318	I	29.6	Very low	28.1	Very low	78 Å²	78	102.5 Å²	102.5	40%	0.4	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	1.3	160.3	-82.2	177.5	0	0	0	111.9	E241 L242 I314 N315 D316	E241-I318 CarbonylContact C-O 3.55Å; L242-I318 CarbonylContact C-O 3.59Å; L242-I318 VanDerWaalsContact C-O 3.31Å; L242-I318 WeakPolarHBondContact CA-O 3.14Å; L242-I318 WeakPolarHBondContact CB-O 3.35Å; L242-I318 PolarHBondContact N-O 2.74Å; I314-I318 VanDerWaalsContact O-CD1 3.25Å; I314-I318 WeakPolarHBondContact O-CD1 2.27Å; N315-I318 WeakPolarHBondContact O-CB 3.33Å; D316-I318 PolarHBondContact O-N 2.61Å; D316-I318 VanDerWaalsContact O-N 3.09Å
319	Y	28.3	Very low	28	Very low	54 Å²	54	103.3 Å²	103.3	21%	0.212	55%	0.551	C	S	.	*	S	Bend	trans	-145.3	111.3	176.9	-79.7	-34.1	0	0	0	116.7	I238 P239 E240 D316 R317	I238-Y319 HydrophobicContact CG2-CD2 3.79Å; I238-Y319 HydrophobicContact CG2-CE2 3.33Å; P239-Y319 VanDerWaalsContact C-CB 3.5Å; P239-Y319 VanDerWaalsContact C-CE2 3.4Å; P239-Y319 VanDerWaalsContact C-CG 3.41Å; P239-Y319 WeakPolarHBondContact O-CB 2.25Å; E240-Y319 VanDerWaalsContact C-CG 3.44Å; E240-Y319 WeakPolarHBondContact O-CD1 3.26Å; E240-Y319 WeakPolarHBondContact O-CE1 3.34Å; E240-Y319 WeakPolarHBondContact OE1-CE2 3Å; E240-Y319 PolarHBondContact OE1-OH 3.09Å; D316-Y319 PolarHBondContact O-N 3.01Å; R317-Y319 PolarHBondContact O-N 2.85Å
320	N	27	Very low	27.8	Very low	107 Å²	107	103 Å²	103	57%	0.572	55%	0.549	S	S	*	.			trans	87.9	140.1	167.6	-139	67.7	0	0	0	118.6	E241	E241-N320 VanDerWaalsContact C-N 3.26Å; E241-N320 VanDerWaalsContact N-N 3.13Å; E241-N320 PolarHBondContact O-N 2.65Å
321	P	28.2	Very low	27.7	Very low	76 Å²	76	103.8 Å²	103.8	49%	0.494	56%	0.556	S	S	.	*			trans	-110.9	-153.1	-157.2	44.6	-36.1	0	0	0	114.7
322	D	25.7	Very low	27.6	Very low	154 Å²	154	102.4 Å²	102.4	82%	0.824	55%	0.547	S	S	*	.			trans	58.9	69.7	158.6	-63.7	-6.5	0	0	0	119.4
323	S	30.5	Very low	27.5	Very low	108 Å²	108	103 Å²	103	76%	0.755	55%	0.551	S	S	*	*				-164.4	103.2	119.3	57.8	0	0	0	0	112.8
324	S	30.2	Very low	27.5	Very low	99 Å²	99	104.3 Å²	104.3	69%	0.692	56%	0.562	S	S	*	*			trans	27.4	115.4	142.9	56.9	0	0	0	0	118.2
325	N	28.4	Very low	27.5	Very low	146 Å²	146	106.6 Å²	106.6	78%	0.781	57%	0.57	S	S	*	*			cis	-159.8	157.4	43	-85.4	-47	0	0	0	116
326	T	29.3	Very low	27.5	Very low	80 Å²	80	103.9 Å²	103.9	49%	0.491	56%	0.556	S	S	.	*			trans	67.2	83	155.3	50.4	0	0	0	0	122.3
327	E	26.2	Very low	27.4	Very low	139 Å²	139	103.7 Å²	103.7	65%	0.65	55%	0.549	S	S	*	.				49.7	142.6	119.8	-57	178.4	170.7	0	0	122.5	V305	V305-E327 WeakPolarHBondContact CG2-O 3.48Å
328	T	26.2	Very low	27.2	Very low	71 Å²	71	103.4 Å²	103.4	44%	0.436	56%	0.555	S	S	.	*			cis	-161.2	166.1	29.3	-33.6	0	0	0	0	113.1	N302	N302-T328 WeakPolarHBondContact CB-OG1 3.29Å; N302-T328 PolarHBondContact ND2-OG1 3.41Å
329	K	26.7	Very low	27	Very low	182 Å²	182	103.8 Å²	103.8	79%	0.791	56%	0.555	S	S	*	*			trans	-91	166.5	173.1	-59.3	172.2	178.3	171.9	0	114.3
330	L	24.5	Very low	26.9	Very low	111 Å²	111	104.2 Å²	104.2	58%	0.581	57%	0.57	S	S	*	*			trans	-163.2	169.7	148.4	-103.1	139.7	0	0	0	113.9	T300	T300-L330 HydrophobicContact CG2-CB 4.15Å; T300-L330 HydrophobicContact CG2-CD1 4.13Å; T300-L330 HydrophobicContact CG2-CD2 4.34Å; T300-L330 HydrophobicContact CG2-CG 4.43Å; T300-L330 WeakPolarHBondContact O-CB 3.39Å; T300-L330 VanDerWaalsContact O-CD1 3.27Å; T300-L330 WeakPolarHBondContact O-CD1 3.4Å
331	S	25.7	Very low	26.7	Very low	88 Å²	88	104.4 Å²	104.4	62%	0.615	57%	0.57	S	S	*	*			trans	-126.7	-178.9	-165.7	62.2	0	0	0	0	114.5
332	F	23.7	Very low	26.6	Very low	53 Å²	53	106.2 Å²	106.2	23%	0.232	58%	0.584	C	S	.	*			trans	-149.2	146.6	-168.5	-76.5	-26.3	0	0	0	111.8	Y297 Y556 R557	Y297-F332 HydrophobicContact CD1-CD1 4.47Å; Y297-F332 AromaticContact CD1-CE1 3.82Å; Y297-F332 HydrophobicContact CD1-CE1 3.82Å; Y297-F332 HydrophobicContact CD1-CZ 4.33Å; Y297-F332 HydrophobicContact CE1-CE1 4.48Å; F332-Y556 HydrophobicContact CB-CD1 3.57Å; F332-Y556 HydrophobicContact CB-CE1 3.61Å; F332-Y556 HydrophobicContact CD1-CD1 4.24Å; F332-Y556 AromaticContact CD1-CE1 3.59Å; F332-Y556 HydrophobicContact CD1-CE1 3.59Å; F332-Y556 HydrophobicContact CG-CD1 4.04Å; F332-Y556 AromaticContact CG-CE1 3.84Å; F332-Y556 HydrophobicContact CG-CE1 3.84Å; F332-R557 HydrophobicContact CB-CG 4.49Å; F332-R557 WeakPolarHBondContact O-CD 3.07Å
333	N	26.7	Very low	26.6	Very low	119 Å²	119	103.6 Å²	103.6	64%	0.636	57%	0.574	S	S	*	*			trans	-146.6	116.2	-170.8	-94	3.5	0	0	0	118.7	E335 Y556	N333-E335 PolarHBondContact O-N 3.02Å; N333-Y556 VanDerWaalsContact C-CD2 3.46Å; N333-Y556 VanDerWaalsContact C-CG 3.46Å; N333-Y556 VanDerWaalsContact N-CD1 3.3Å; N333-Y556 WeakPolarHBondContact O-CB 3.05Å; N333-Y556 WeakPolarHBondContact O-CD2 3.15Å; N333-Y556 VanDerWaalsContact O-CE2 3.23Å; N333-Y556 WeakPolarHBondContact O-CE2 3.15Å; N333-Y556 VanDerWaalsContact O-CG 3.29Å
334	S	25.5	Very low	26.4	Very low	70 Å²	70	102.4 Å²	102.4	49%	0.49	56%	0.563	S	S	.	*	S	Bend	trans	47.8	-84	171	-60.8	0	0	0	0	125.4	N336 K555 Y556 R557	S334-N336 PolarHBondContact O-N 3.49Å; S334-K555 CarbonylContact C-O 3.57Å; S334-Y556 VanDerWaalsContact C-CB 3.4Å; S334-Y556 CarbonylContact O-C 3.18Å; S334-Y556 WeakPolarHBondContact O-CA 3.5Å; S334-Y556 WeakPolarHBondContact O-CB 3.37Å; S334-R557 VanDerWaalsContact CA-N 3.28Å; S334-R557 PolarHBondContact O-N 2.93Å
335	E	27.1	Very low	26.2	Very low	158 Å²	158	101.6 Å²	101.6	74%	0.738	56%	0.557	S	S	*	*	S	Bend		-81.9	1.5	-113.5	-60.5	-174	125.4	0	0	120	N333 F554	N333-E335 PolarHBondContact O-N 3.02Å; E335-F554 HydrophobicContact CB-CE2 4.34Å; E335-F554 HydrophobicContact CB-CZ 3.95Å
336	N	28.9	Very low	26.2	Very low	38 Å²	38	98.9 Å²	98.9	20%	0.203	54%	0.538	C	S	.	.			trans	-152.3	12.8	-130.2	-109.6	-146.6	0	0	0	115.4	S334 E338 F554 K555	S334-N336 PolarHBondContact O-N 3.49Å; N336-E338 PolarHBondContact O-N 3.28Å; N336-E338 VanDerWaalsContact O-N 3.14Å; N336-F554 HydrophobicContact CB-CB 3.5Å; N336-F554 VanDerWaalsContact CB-CB 3.5Å; N336-F554 HydrophobicContact CB-CD1 3.44Å; N336-F554 VanDerWaalsContact CB-CD1 3.44Å; N336-F554 HydrophobicContact CB-CD2 2.53Å; N336-F554 HydrophobicContact CB-CE1 3.93Å; N336-F554 HydrophobicContact CB-CE2 3.06Å; N336-F554 HydrophobicContact CB-CG 2.72Å; N336-F554 HydrophobicContact CB-CZ 3.74Å; N336-F554 WeakPolarHBondContact ND2-CD1 3.45Å; N336-F554 WeakPolarHBondContact ND2-CE1 3.17Å; N336-F554 WeakPolarHBondContact ND2-CE2 3.14Å; N336-F554 WeakPolarHBondContact ND2-CG 3.26Å; N336-F554 WeakPolarHBondContact ND2-CZ 3.06Å; N336-F554 CarbonylContact O-C 3.58Å; N336-F554 WeakPolarHBondContact O-CA 3.18Å; N336-F554 WeakPolarHBondContact O-CB 3.29Å; N336-F554 WeakPolarHBondContact OD1-CD1 3.44Å; N336-F554 WeakPolarHBondContact OD1-CD2 3.37Å; N336-F554 WeakPolarHBondContact OD1-CE1 3.41Å; N336-F554 WeakPolarHBondContact OD1-CE2 3.47Å; N336-F554 WeakPolarHBondContact OD1-CG 3.38Å; N336-F554 WeakPolarHBondContact OD1-CZ 3.44Å; N336-K555 WeakPolarHBondContact CA-O 3.45Å; N336-K555 WeakPolarHBondContact CB-O 3.27Å; N336-K555 PolarHBondContact N-O 2.88Å; N336-K555 VanDerWaalsContact N-O 3.11Å; N336-K555 PolarHBondContact O-N 2.91Å
337	Y	25.3	Very low	26.3	Very low	80 Å²	80	98.2 Å²	98.2	31%	0.314	53%	0.532	S	S	.	.			trans	-69.1	-11.8	-160.9	-113.4	-48.9	0	0	0	120.6	N257 K555 Y556	N257-Y337 HydrophobicContact CB-CE2 4.38Å; Y337-K555 HydrophobicContact CD1-CB 4.44Å; Y337-K555 HydrophobicContact CD1-CG 4.26Å; Y337-K555 HydrophobicContact CE1-CB 4.18Å; Y337-K555 HydrophobicContact CE1-CG 3.53Å; Y337-K555 HydrophobicContact CE2-CG 4.25Å; Y337-K555 WeakPolarHBondContact OH-CG 3.4Å; Y337-Y556 VanDerWaalsContact CE2-O 3.22Å; Y337-Y556 WeakPolarHBondContact CE2-O 3.35Å
338	E	26.6	Very low	26.6	Very low	161 Å²	161	94.7 Å²	94.7	75%	0.752	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-69.8	-53.1	-161.4	-79.4	-69.4	98.8	0	0	116.3	N336 A340	N336-E338 PolarHBondContact O-N 3.28Å; N336-E338 VanDerWaalsContact O-N 3.14Å; E338-A340 VanDerWaalsContact C-N 3.26Å; E338-A340 PolarHBondContact O-N 3.3Å
339	E	26.3	Very low	27.1	Very low	86 Å²	86	96.7 Å²	96.7	40%	0.402	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-89.6	21.7	-151.3	-62.6	169.6	126.3	0	0	114.2	I341 P552 L553	E339-I341 VanDerWaalsContact C-N 3.34Å; E339-I341 PolarHBondContact O-N 3.15Å; E339-P552 WeakPolarHBondContact OE1-CD 3.43Å; E339-P552 WeakPolarHBondContact OE2-CD 3.46Å; E339-L553 WeakPolarHBondContact O-CA 3.36Å; E339-L553 PolarHBondContact O-N 2.83Å
340	A	26.5	Very low	27.7	Very low	63 Å²	63	88.9 Å²	88.9	52%	0.521	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-87.1	4.7	-175	0	0	0	0	0	114.7	E338 S342	E338-A340 VanDerWaalsContact C-N 3.26Å; E338-A340 PolarHBondContact O-N 3.3Å; A340-S342 PolarHBondContact O-N 3.06Å
341	I	23	Very low	28.2	Very low	110 Å²	110	85.6 Å²	85.6	56%	0.564	49%	0.49	S	S	*	.			trans	-75.9	105.2	-175.7	-55.9	171.8	0	0	0	110.4	E339 P378	E339-I341 VanDerWaalsContact C-N 3.34Å; E339-I341 PolarHBondContact O-N 3.15Å; I341-P378 HydrophobicContact CD1-CB 3.99Å; I341-P378 HydrophobicContact CG2-CB 4.27Å
342	S	25.7	Very low	28.8	Very low	114 Å²	114	86.9 Å²	86.9	80%	0.797	49%	0.486	S	S	*	.			trans	-149.1	137.8	164.8	-75.6	0	0	0	0	109	A340	A340-S342 PolarHBondContact O-N 3.06Å
343	T	26.5	Very low	29.5	Very low	100 Å²	100	91.9 Å²	91.9	61%	0.613	51%	0.51	S	S	*	.			trans	-56.6	145.4	-166.9	39.6	0	0	0	0	113.5	C345	T343-C345 PolarHBondContact O-N 3.38Å
344	P	25.7	Very low	30.2	Very low	82 Å²	82	87.4 Å²	87.4	53%	0.532	49%	0.485	S	S	.	.			trans	-59	130.8	176.2	-20.9	31.6	0	0	0	111	F346	P344-F346 HydrophobicContact CB-CD2 4.11Å; P344-F346 HydrophobicContact CB-CE2 3.73Å; P344-F346 HydrophobicContact CB-CZ 4.15Å; P344-F346 HydrophobicContact CG-CE2 4.1Å; P344-F346 WeakPolarHBondContact O-CD2 3.17Å; P344-F346 PolarHBondContact O-N 2.73Å
345	C	25.4	Very low	31.1	Very low	83 Å²	83	86.1 Å²	86.1	56%	0.561	47%	0.472	S	S	*	.			trans	-74.5	76.8	174.2	-67.2	0	0	0	0	110.2	S288 T343	S288-C345 WeakPolarHBondContact CB-O 3.49Å; S288-C345 PolarHBondContact OG-O 2.82Å; T343-C345 PolarHBondContact O-N 3.38Å
346	F	28.1	Very low	31.9	Very low	88 Å²	88	82.5 Å²	82.5	39%	0.386	46%	0.458	S	S	.	.			trans	-62	144.6	167.6	-68.2	-76.6	0	0	0	110.5	P344 L355 L358	P344-F346 HydrophobicContact CB-CD2 4.11Å; P344-F346 HydrophobicContact CB-CE2 3.73Å; P344-F346 HydrophobicContact CB-CZ 4.15Å; P344-F346 HydrophobicContact CG-CE2 4.1Å; P344-F346 WeakPolarHBondContact O-CD2 3.17Å; P344-F346 PolarHBondContact O-N 2.73Å; F346-L355 HydrophobicContact CD1-CD2 3.92Å; F346-L355 HydrophobicContact CD2-CD2 4.43Å; F346-L355 HydrophobicContact CE1-CD2 4.09Å; F346-L355 HydrophobicContact CG-CD2 4.11Å; F346-L355 HydrophobicContact CZ-CD2 4.4Å; F346-L358 HydrophobicContact CE1-CD2 3.87Å; F346-L358 HydrophobicContact CZ-CD2 4.17Å
347	D	31.1	Very low	32.8	Very low	66 Å²	66	84.7 Å²	84.7	35%	0.353	47%	0.467	S	S	.	.			trans	-71.3	129	169.1	-176.6	-34.3	0	0	0	108.4	N349 V350	D347-N349 PolarHBondContact O-N 3.34Å; D347-N349 WeakPolarHBondContact OD1-CB 3.21Å; D347-N349 PolarHBondContact OD1-N 3.43Å; D347-N349 PolarHBondContact OD1-ND2 3.08Å; D347-V350 HydrophobicContact CB-CG2 4.08Å; D347-V350 VanDerWaalsContact O-CB 3.26Å; D347-V350 WeakPolarHBondContact O-CB 3.11Å; D347-V350 VanDerWaalsContact O-CG2 3.29Å; D347-V350 WeakPolarHBondContact O-CG2 2.98Å; D347-V350 PolarHBondContact O-N 3.26Å
348	P	34.2	Very low	33.7	Very low	66 Å²	66	82 Å²	82	43%	0.429	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-17.2	179	-22.9	32.4	0	0	0	115	V350 T787 H788	P348-V350 PolarHBondContact O-N 2.88Å; P348-T787 WeakPolarHBondContact CG-O 3.48Å; P348-H788 WeakPolarHBondContact CB-O 3.07Å
349	N	36.5	Very low	34.8	Very low	112 Å²	112	77.3 Å²	77.3	60%	0.599	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	0.3	176.8	-57.1	-81.8	0	0	0	112.9	D347 G351	D347-N349 PolarHBondContact O-N 3.34Å; D347-N349 WeakPolarHBondContact OD1-CB 3.21Å; D347-N349 PolarHBondContact OD1-N 3.43Å; D347-N349 PolarHBondContact OD1-ND2 3.08Å; N349-G351 PolarHBondContact O-N 3.28Å
350	V	38.9	Very low	36	Very low	18 Å²	18	75.8 Å²	75.8	11%	0.109	44%	0.435	C	S	.	.	S	Bend	trans	-76.2	111.3	173	175	0	0	0	0	109.3	D347 P348 F354 L355	D347-V350 HydrophobicContact CB-CG2 4.08Å; D347-V350 VanDerWaalsContact O-CB 3.26Å; D347-V350 WeakPolarHBondContact O-CB 3.11Å; D347-V350 VanDerWaalsContact O-CG2 3.29Å; D347-V350 WeakPolarHBondContact O-CG2 2.98Å; D347-V350 PolarHBondContact O-N 3.26Å; P348-V350 PolarHBondContact O-N 2.88Å; V350-F354 HydrophobicContact CG1-CB 3.72Å; V350-F354 HydrophobicContact CG1-CD1 3.11Å; V350-F354 HydrophobicContact CG1-CD2 4.08Å; V350-F354 HydrophobicContact CG1-CE1 3.61Å; V350-F354 HydrophobicContact CG1-CE2 4.48Å; V350-F354 HydrophobicContact CG1-CG 3.41Å; V350-F354 VanDerWaalsContact CG1-CG 3.41Å; V350-F354 HydrophobicContact CG1-CZ 4.27Å; V350-L355 HydrophobicContact CG1-CD2 3.97Å; V350-L355 HydrophobicContact CG1-CG 4.07Å
351	G	35.6	Very low	36.7	Very low	43 Å²	43	75.2 Å²	75.2	44%	0.443	42%	0.423	S	S	.	.			trans	-58.3	149.9	-176.7	0	0	0	0	0	113.7	N349 E353 F354 L355	N349-G351 PolarHBondContact O-N 3.28Å; G351-E353 PolarHBondContact O-N 2.82Å; G351-E353 VanDerWaalsContact O-N 3.1Å; G351-F354 WeakPolarHBondContact O-CB 3.41Å; G351-F354 PolarHBondContact O-N 2.75Å; G351-L355 PolarHBondContact O-N 3.47Å; G351-L355 VanDerWaalsContact O-N 3.13Å
352	H	37.7	Very low	37.6	Very low	114 Å²	114	72.8 Å²	72.8	53%	0.528	41%	0.411	S	S	.	.	H	α-helix	trans	-56.4	-30.7	-179.6	-145.2	-51.2	0	0	0	112.8	L355 N356	H352-L355 PolarHBondContact O-N 2.77Å; H352-N356 PolarHBondContact ND1-OD1 3.44Å; H352-N356 PolarHBondContact O-N 3.34Å; H352-N356 PolarHBondContact O-OD1 2.75Å
353	E	38.8	Very low	38.6	Very low	159 Å²	159	73.8 Å²	73.8	74%	0.743	40%	0.397	S	S	*	.	H	α-helix	trans	-64.6	-47.2	173.3	-169.8	169.1	-129.2	0	0	112.4	G351 L355 N356 E357	G351-E353 PolarHBondContact O-N 2.82Å; G351-E353 VanDerWaalsContact O-N 3.1Å; E353-L355 VanDerWaalsContact C-N 3.31Å; E353-L355 PolarHBondContact O-N 2.89Å; E353-N356 PolarHBondContact O-N 2.83Å; E353-E357 VanDerWaalsContact O-CB 3.31Å; E353-E357 WeakPolarHBondContact O-CB 3.18Å; E353-E357 PolarHBondContact O-N 2.8Å
354	F	40.1	Very low	39.4	Very low	25 Å²	25	73.9 Å²	73.9	11%	0.11	39%	0.394	C	S	.	.	H	α-helix	trans	-58	-43.8	171.7	176.9	-65	0	0	0	110.8	L275 Y279 V350 G351 E357 L358	L275-F354 HydrophobicContact CD2-CE2 3.78Å; L275-F354 HydrophobicContact CD2-CZ 3.57Å; Y279-F354 HydrophobicContact CD2-CE2 4.21Å; Y279-F354 HydrophobicContact CE1-CD2 4.24Å; Y279-F354 HydrophobicContact CE1-CE2 4.41Å; Y279-F354 AromaticContact CE2-CD2 3.87Å; Y279-F354 HydrophobicContact CE2-CD2 3.87Å; Y279-F354 AromaticContact CE2-CE2 3.5Å; Y279-F354 HydrophobicContact CE2-CE2 3.5Å; Y279-F354 VanDerWaalsContact CE2-CE2 3.5Å; Y279-F354 HydrophobicContact CE2-CZ 4.5Å; Y279-F354 AromaticContact CZ-CD2 3.51Å; Y279-F354 AromaticContact CZ-CE2 3.64Å; Y279-F354 WeakPolarHBondContact OH-CD2 2.59Å; V350-F354 HydrophobicContact CG1-CB 3.72Å; V350-F354 HydrophobicContact CG1-CD1 3.11Å; V350-F354 HydrophobicContact CG1-CD2 4.08Å; V350-F354 HydrophobicContact CG1-CE1 3.61Å; V350-F354 HydrophobicContact CG1-CE2 4.48Å; V350-F354 HydrophobicContact CG1-CG 3.41Å; V350-F354 VanDerWaalsContact CG1-CG 3.41Å; V350-F354 HydrophobicContact CG1-CZ 4.27Å; G351-F354 WeakPolarHBondContact O-CB 3.41Å; G351-F354 PolarHBondContact O-N 2.75Å; F354-E357 PolarHBondContact O-N 3.01Å; F354-L358 HydrophobicContact CD1-CB 4.17Å; F354-L358 HydrophobicContact CE1-CB 4.17Å; F354-L358 HydrophobicContact CE1-CD1 4.12Å; F354-L358 HydrophobicContact CE1-CD2 4.1Å; F354-L358 HydrophobicContact CE1-CG 4.36Å; F354-L358 HydrophobicContact CZ-CD1 4.41Å; F354-L358 WeakPolarHBondContact O-CB 3.1Å; F354-L358 PolarHBondContact O-N 3.11Å
355	L	44.4	Very low	39.9	Very low	42 Å²	42	74.4 Å²	74.4	22%	0.22	39%	0.392	C	S	.	.	H	α-helix	trans	-63.7	-44.5	-179.6	-68.5	176.9	0	0	0	111.4	F346 V350 G351 H352 E353 E357 Q359 L384	F346-L355 HydrophobicContact CD1-CD2 3.92Å; F346-L355 HydrophobicContact CD2-CD2 4.43Å; F346-L355 HydrophobicContact CE1-CD2 4.09Å; F346-L355 HydrophobicContact CG-CD2 4.11Å; F346-L355 HydrophobicContact CZ-CD2 4.4Å; V350-L355 HydrophobicContact CG1-CD2 3.97Å; V350-L355 HydrophobicContact CG1-CG 4.07Å; G351-L355 PolarHBondContact O-N 3.47Å; G351-L355 VanDerWaalsContact O-N 3.13Å; H352-L355 PolarHBondContact O-N 2.77Å; E353-L355 VanDerWaalsContact C-N 3.31Å; E353-L355 PolarHBondContact O-N 2.89Å; L355-E357 PolarHBondContact O-N 3.19Å; L355-Q359 WeakPolarHBondContact O-CB 3.42Å; L355-Q359 PolarHBondContact O-N 3.34Å; L355-L384 HydrophobicContact CD1-CD1 4.41Å
356	N	45.5	Very low	40.5	Very low	82 Å²	82	71 Å²	71	44%	0.439	37%	0.369	S	S	.	.	H	α-helix	trans	-63	-40.4	175.6	-66.2	-6.4	0	0	0	112	H352 E353 Q359 S360	H352-N356 PolarHBondContact ND1-OD1 3.44Å; H352-N356 PolarHBondContact O-N 3.34Å; H352-N356 PolarHBondContact O-OD1 2.75Å; E353-N356 PolarHBondContact O-N 2.83Å; N356-Q359 PolarHBondContact O-N 2.69Å; N356-S360 WeakPolarHBondContact O-CB 3.19Å; N356-S360 PolarHBondContact O-N 2.94Å
357	E	47	Very low	40.7	Very low	85 Å²	85	75 Å²	75	40%	0.397	38%	0.383	S	S	.	.	H	α-helix	trans	-79.5	-34.6	-176.3	-150.3	-163.4	141.8	0	0	112.5	K278 E353 F354 L355 S360 L361	K278-E357 IonicContact NZ-OE1 2.94Å; K278-E357 PolarHBondContact NZ-OE1 2.95Å; K278-E357 IonicContact NZ-OE2 3.48Å; K278-E357 PolarHBondContact NZ-OE2 3.15Å; E353-E357 VanDerWaalsContact O-CB 3.31Å; E353-E357 WeakPolarHBondContact O-CB 3.18Å; E353-E357 PolarHBondContact O-N 2.8Å; F354-E357 PolarHBondContact O-N 3.01Å; L355-E357 PolarHBondContact O-N 3.19Å; E357-S360 WeakPolarHBondContact O-CB 3.42Å; E357-S360 PolarHBondContact O-N 3.12Å; E357-L361 WeakPolarHBondContact O-CB 3.48Å; E357-L361 WeakPolarHBondContact O-CG 3.44Å; E357-L361 PolarHBondContact O-N 3.25Å
358	L	44.7	Very low	40.9	Very low	23 Å²	23	76.5 Å²	76.5	12%	0.12	40%	0.398	C	S	.	.	H	α-helix	trans	-66	-40	168	-166.5	91.4	0	0	0	110.3	T271 L275 F346 F354 S360 L361 L362	T271-L358 HydrophobicContact CG2-CD1 4.4Å; L275-L358 HydrophobicContact CD2-CD1 4.18Å; F346-L358 HydrophobicContact CE1-CD2 3.87Å; F346-L358 HydrophobicContact CZ-CD2 4.17Å; F354-L358 HydrophobicContact CD1-CB 4.17Å; F354-L358 HydrophobicContact CE1-CB 4.17Å; F354-L358 HydrophobicContact CE1-CD1 4.12Å; F354-L358 HydrophobicContact CE1-CD2 4.1Å; F354-L358 HydrophobicContact CE1-CG 4.36Å; F354-L358 HydrophobicContact CZ-CD1 4.41Å; F354-L358 WeakPolarHBondContact O-CB 3.1Å; F354-L358 PolarHBondContact O-N 3.11Å; L358-S360 VanDerWaalsContact C-N 3.27Å; L358-S360 PolarHBondContact O-N 2.84Å; L358-L361 PolarHBondContact O-N 3.47Å; L358-L362 HydrophobicContact CD2-CD1 3.93Å; L358-L362 HydrophobicContact CG-CD1 3.96Å; L358-L362 HydrophobicContact CG-CG 4.39Å; L358-L362 VanDerWaalsContact O-CB 3.27Å; L358-L362 WeakPolarHBondContact O-CB 3.18Å; L358-L362 VanDerWaalsContact O-CG 3.23Å; L358-L362 WeakPolarHBondContact O-CG 3.44Å; L358-L362 PolarHBondContact O-N 2.87Å
359	Q	50.1	Low	40.8	Very low	63 Å²	63	81 Å²	81	29%	0.294	42%	0.419	S	S	.	.	H	α-helix	trans	-63.1	-33.9	172.5	-175.3	-176.8	10.7	0	0	111.6	L355 N356 R363 M381	L355-Q359 WeakPolarHBondContact O-CB 3.42Å; L355-Q359 PolarHBondContact O-N 3.34Å; N356-Q359 PolarHBondContact O-N 2.69Å; Q359-R363 WeakPolarHBondContact O-CB 3.2Å; Q359-R363 PolarHBondContact O-N 3.5Å; Q359-M381 HydrophobicContact CG-SD 4.49Å; Q359-M381 PolarHBondContact NE2-SD 3.26Å
360	S	49.9	Very low	40.5	Very low	54 Å²	54	79.5 Å²	79.5	38%	0.378	43%	0.429	S	S	.	.	H	α-helix	trans	-68.1	-51.2	170.9	-171.2	0	0	0	0	111.7	N356 E357 L358 L362 R363 N364	N356-S360 WeakPolarHBondContact O-CB 3.19Å; N356-S360 PolarHBondContact O-N 2.94Å; E357-S360 WeakPolarHBondContact O-CB 3.42Å; E357-S360 PolarHBondContact O-N 3.12Å; L358-S360 VanDerWaalsContact C-N 3.27Å; L358-S360 PolarHBondContact O-N 2.84Å; S360-L362 PolarHBondContact O-N 3.23Å; S360-R363 WeakPolarHBondContact O-CB 3.45Å; S360-R363 PolarHBondContact O-N 3.32Å; S360-N364 WeakPolarHBondContact O-CB 3.49Å; S360-N364 PolarHBondContact O-N 3.47Å; S360-N364 PolarHBondContact O-ND2 2.64Å; S360-N364 PolarHBondContact O-OD1 2.77Å; S360-N364 PolarHBondContact OG-ND2 2.65Å
361	L	40.8	Very low	39.9	Very low	51 Å²	51	87.2 Å²	87.2	27%	0.267	47%	0.467	S	S	.	.	H	α-helix	trans	-60.5	-41.5	178.4	-74.5	166.6	0	0	0	112.5	E357 L358 N365	E357-L361 WeakPolarHBondContact O-CB 3.48Å; E357-L361 WeakPolarHBondContact O-CG 3.44Å; E357-L361 PolarHBondContact O-N 3.25Å; L358-L361 PolarHBondContact O-N 3.47Å; L361-N365 WeakPolarHBondContact O-CB 3.39Å; L361-N365 PolarHBondContact O-N 2.87Å; L361-N365 PolarHBondContact O-ND2 3.5Å
362	L	42.6	Very low	39.6	Very low	58 Å²	58	95.3 Å²	95.3	30%	0.304	49%	0.489	S	S	.	.	H	α-helix	trans	-68.3	-40.4	175.2	-71.5	168.1	0	0	0	111.6	L358 S360 C366 Y367	L358-L362 HydrophobicContact CD2-CD1 3.93Å; L358-L362 HydrophobicContact CG-CD1 3.96Å; L358-L362 HydrophobicContact CG-CG 4.39Å; L358-L362 VanDerWaalsContact O-CB 3.27Å; L358-L362 WeakPolarHBondContact O-CB 3.18Å; L358-L362 VanDerWaalsContact O-CG 3.23Å; L358-L362 WeakPolarHBondContact O-CG 3.44Å; L358-L362 PolarHBondContact O-N 2.87Å; S360-L362 PolarHBondContact O-N 3.23Å; L362-C366 WeakPolarHBondContact O-CA 3.49Å; L362-C366 VanDerWaalsContact O-CB 3.27Å; L362-C366 WeakPolarHBondContact O-CB 3.23Å; L362-C366 PolarHBondContact O-N 3.24Å; L362-Y367 WeakPolarHBondContact O-CD2 3.1Å
363	R	46.9	Very low	39.2	Very low	136 Å²	136	92.5 Å²	92.5	51%	0.513	49%	0.486	S	S	.	.	H	α-helix	trans	-60.5	-47.5	173.8	-175.5	179.7	-60.9	-157	-0.3	110.8	Q359 S360 Y367	Q359-R363 WeakPolarHBondContact O-CB 3.2Å; Q359-R363 PolarHBondContact O-N 3.5Å; S360-R363 WeakPolarHBondContact O-CB 3.45Å; S360-R363 PolarHBondContact O-N 3.32Å; R363-Y367 CarbonylContact O-C 3.13Å; R363-Y367 VanDerWaalsContact O-CA 3.29Å; R363-Y367 WeakPolarHBondContact O-CA 3.28Å; R363-Y367 WeakPolarHBondContact O-CB 3.36Å; R363-Y367 PolarHBondContact O-N 3.33Å
364	N	43	Very low	38.7	Very low	102 Å²	102	88.4 Å²	88.4	55%	0.545	48%	0.475	S	S	.	.	H	α-helix	trans	-75.1	-39.6	-173.5	-59.7	-12.3	0	0	0	112.7	S360	S360-N364 WeakPolarHBondContact O-CB 3.49Å; S360-N364 PolarHBondContact O-N 3.47Å; S360-N364 PolarHBondContact O-ND2 2.64Å; S360-N364 PolarHBondContact O-OD1 2.77Å; S360-N364 PolarHBondContact OG-ND2 2.65Å
365	N	37	Very low	38.1	Very low	93 Å²	93	94.1 Å²	94.1	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-94.3	-23.1	-175.6	-62.8	-77.6	0	0	0	114.1	L361	L361-N365 WeakPolarHBondContact O-CB 3.39Å; L361-N365 PolarHBondContact O-N 2.87Å; L361-N365 PolarHBondContact O-ND2 3.5Å
366	C	36.8	Very low	37.1	Very low	11 Å²	11	100 Å²	100	7%	0.074	53%	0.533	C	S	.	.	H	α-helix	trans	-111.2	-10	179.2	-51	0	0	0	0	113.4	R263 C267 L362	R263-C366 PolarHBondContact NH1-O 2.77Å; R263-C366 PolarHBondContact NH2-O 2.75Å; C267-C366 WeakPolarHBondContact CB-SG 3.27Å; C267-C366 WeakPolarHBondContact SG-CB 3.17Å; C267-C366 CovalentContact SG-SG 2.07Å; C267-C366 PolarHBondContact SG-SG 3.01Å; L362-C366 WeakPolarHBondContact O-CA 3.49Å; L362-C366 VanDerWaalsContact O-CB 3.27Å; L362-C366 WeakPolarHBondContact O-CB 3.23Å; L362-C366 PolarHBondContact O-N 3.24Å
367	Y	33.7	Very low	36.2	Very low	172 Å²	172	100.7 Å²	100.7	68%	0.675	53%	0.533	S	S	*	.			trans	-144.2	72.6	-175.7	-60.6	-85.4	0	0	0	115.8	L362 R363 N369	L362-Y367 WeakPolarHBondContact O-CD2 3.1Å; R363-Y367 CarbonylContact O-C 3.13Å; R363-Y367 VanDerWaalsContact O-CA 3.29Å; R363-Y367 WeakPolarHBondContact O-CA 3.28Å; R363-Y367 WeakPolarHBondContact O-CB 3.36Å; R363-Y367 PolarHBondContact O-N 3.33Å; Y367-N369 PolarHBondContact O-N 3.32Å
368	S	35.8	Very low	35.1	Very low	97 Å²	97	99.6 Å²	99.6	68%	0.678	53%	0.534	S	S	*	.			trans	-76.9	105.8	176.5	37.7	0	0	0	0	114.6
369	N	30.6	Very low	34.3	Very low	162 Å²	162	104.4 Å²	104.4	87%	0.866	56%	0.564	S	S	*	*	S	Bend	trans	63.8	86.4	150	-62	-18.4	0	0	0	121.3	Y367	Y367-N369 PolarHBondContact O-N 3.32Å
370	G	29.9	Very low	33.2	Very low	79 Å²	79	103.8 Å²	103.8	81%	0.814	57%	0.57	S	S	*	*			trans	97.5	122.4	153.4	0	0	0	0	0	114.6
371	M	26.4	Very low	32	Very low	181 Å²	181	106.5 Å²	106.5	89%	0.892	58%	0.578	S	S	*	*			cis	-104.9	-171.5	23.5	-71.9	-161.5	169.7	0	0	116.1	A373	M371-A373 PolarHBondContact O-N 2.91Å
372	K	30.2	Very low	31.3	Very low	212 Å²	212	112.5 Å²	112.5	92%	0.922	61%	0.605	S	S	*	*	S	Bend	trans	-71.2	65.9	170.6	-62.4	177.3	-178.3	174.3	0	112.5	S374	K372-S374 PolarHBondContact O-N 2.88Å
373	A	30.1	Very low	30.5	Very low	56 Å²	56	117.8 Å²	117.8	46%	0.463	63%	0.631	S	S	.	*	S	Bend	trans	58.7	41.1	158.5	0	0	0	0	0	117.9	M371 Q377	M371-A373 PolarHBondContact O-N 2.91Å; A373-Q377 HydrophobicContact CB-CG 4.11Å; A373-Q377 VanDerWaalsContact O-CG 3.24Å; A373-Q377 WeakPolarHBondContact O-CG 3.44Å
374	S	27.6	Very low	29.5	Very low	73 Å²	73	115 Å²	115	51%	0.51	63%	0.627	S	S	.	*			trans	-82	162.6	155.9	70.7	0	0	0	0	110.6	K372	K372-S374 PolarHBondContact O-N 2.88Å
375	D	27.7	Very low	28.6	Very low	145 Å²	145	115.1 Å²	115.1	78%	0.775	64%	0.635	S	S	*	*	S	Bend	trans	51	68.9	155.6	-39	-45.2	0	0	0	116.9
376	H	23.7	Very low	28.2	Very low	164 Å²	164	118.3 Å²	118.3	76%	0.759	65%	0.647	S	S	*	*			cis	-117	160.1	5	-47.8	-78.4	0	0	0	111.6	P378	H376-P378 WeakPolarHBondContact O-CD 3.09Å
377	Q	26.2	Very low	27.8	Very low	97 Å²	97	124.2 Å²	124.2	45%	0.453	67%	0.673	S	S	.	*			trans	-107.5	89.2	152.8	-73.2	-65.5	-82	0	0	109.6	A373 T379	A373-Q377 HydrophobicContact CB-CG 4.11Å; A373-Q377 VanDerWaalsContact O-CG 3.24Å; A373-Q377 WeakPolarHBondContact O-CG 3.44Å; Q377-T379 PolarHBondContact O-N 3.36Å
378	P	22.4	Very low	27.5	Very low	63 Å²	63	123.5 Å²	123.5	41%	0.409	67%	0.674	S	S	.	*			trans	-79.3	66	-177.4	33.8	-35.3	0	0	0	111.3	I341 H376 A380	I341-P378 HydrophobicContact CD1-CB 3.99Å; I341-P378 HydrophobicContact CG2-CB 4.27Å; H376-P378 WeakPolarHBondContact O-CD 3.09Å; P378-A380 PolarHBondContact O-N 3.02Å
379	T	29	Very low	27.1	Very low	123 Å²	123	125.9 Å²	125.9	76%	0.755	68%	0.679	S	S	*	*	S	Bend	trans	54.4	30.5	169	-35.3	0	0	0	0	114.5	Q377	Q377-T379 PolarHBondContact O-N 3.36Å
380	A	26.8	Very low	26.9	Very low	51 Å²	51	123.1 Å²	123.1	42%	0.421	67%	0.672	S	S	.	*			trans	-110.7	164.5	168.3	0	0	0	0	0	109.4	P378 Q382	P378-A380 PolarHBondContact O-N 3.02Å; A380-Q382 PolarHBondContact O-N 3.43Å
381	M	24.4	Very low	26.7	Very low	111 Å²	111	124.7 Å²	124.7	55%	0.547	67%	0.671	S	S	.	*	S	Bend	trans	70.4	20.5	169.3	-130.7	-177.4	-42.9	0	0	118	Q359	Q359-M381 HydrophobicContact CG-SD 4.49Å; Q359-M381 PolarHBondContact NE2-SD 3.26Å
382	Q	25.6	Very low	26.5	Very low	177 Å²	177	124 Å²	124	83%	0.827	67%	0.67	S	S	*	*			trans	-138.9	24.1	-178.3	-138.3	176.5	34.3	0	0	117.2	A380	A380-Q382 PolarHBondContact O-N 3.43Å
383	I	26.6	Very low	26.1	Very low	168 Å²	168	123.3 Å²	123.3	86%	0.862	66%	0.663	S	S	*	*	S	Bend	trans	-127.3	34	167.4	-36.9	-178.3	0	0	0	111
384	L	25.7	Very low	25.9	Very low	79 Å²	79	127.3 Å²	127.3	41%	0.414	68%	0.682	S	S	.	*	S	Bend	trans	-137.2	130.5	163.7	-66.3	177.4	0	0	0	106.4	L355	L355-L384 HydrophobicContact CD1-CD1 4.41Å
385	S	24.7	Very low	25.8	Very low	104 Å²	104	128.4 Å²	128.4	73%	0.727	69%	0.688	S	S	*	*	S	Bend	trans	66.6	137.2	-164.6	78.8	0	0	0	0	115.7
386	H	27.9	Very low	25.6	Very low	160 Å²	160	130.5 Å²	130.5	74%	0.741	70%	0.698	S	S	*	*			trans	57.5	150.5	179	-66.7	-85.9	0	0	0	117.7
387	E	28.2	Very low	25.5	Very low	135 Å²	135	125.3 Å²	125.3	63%	0.631	69%	0.689	S	S	*	*			cis	-151.3	-164.8	-40.8	-137.2	-174.9	140.6	0	0	109.8
388	K	27.1	Very low	25.4	Very low	157 Å²	157	125.2 Å²	125.2	68%	0.683	70%	0.699	S	S	*	*			trans	-62.3	148.1	-175.1	-56.5	142.9	-170	133.4	0	112.5
389	N	27.9	Very low	25.5	Very low	146 Å²	146	124.7 Å²	124.7	78%	0.781	70%	0.697	S	S	*	*			trans	96.6	113	157.6	-52.2	-31.2	0	0	0	119.8
390	S	26.6	Very low	25.4	Very low	105 Å²	105	123.8 Å²	123.8	73%	0.734	68%	0.683	S	S	*	*			trans	46.3	121.8	135.5	60.6	0	0	0	0	122.8
391	S	25.3	Very low	25.4	Very low	112 Å²	112	122.4 Å²	122.4	78%	0.783	67%	0.67	S	S	*	*			trans	62.3	98.6	139.6	60.4	0	0	0	0	120.1
392	L	22	Very low	25.6	Very low	165 Å²	165	121.6 Å²	121.6	86%	0.864	68%	0.675	S	S	*	*				-149.4	163	128	-105.6	164.2	0	0	0	108.8
393	Y	23.5	Very low	25.8	Very low	198 Å²	198	114.7 Å²	114.7	78%	0.776	64%	0.644	S	S	*	*			trans	58.7	104.9	-171.7	-67.1	-85.1	0	0	0	117.2
394	T	25.1	Very low	25.9	Very low	140 Å²	140	112.3 Å²	112.3	86%	0.859	63%	0.632	S	S	*	*			trans	-130.4	81.8	152.7	-31.3	0	0	0	0	109.1
395	C	24.5	Very low	26.1	Very low	96 Å²	96	114.9 Å²	114.9	65%	0.649	64%	0.64	S	S	*	*			trans	-61.8	136.4	179.3	-59	0	0	0	0	111.5	G397	C395-G397 PolarHBondContact O-N 3.3Å
396	L	23.6	Very low	26.5	Very low	189 Å²	189	115.9 Å²	115.9	99%	0.99	64%	0.636	S	S	*	*	S	Bend	trans	16.3	73.4	158.2	-72.3	164.4	0	0	0	116.3
397	G	23.6	Very low	26.6	Very low	55 Å²	55	115.1 Å²	115.1	57%	0.567	64%	0.637	S	S	*	*			trans	172.6	56.7	-176.4	0	0	0	0	0	117.9	C395	C395-G397 PolarHBondContact O-N 3.3Å
398	S	24.2	Very low	26.8	Very low	95 Å²	95	111.7 Å²	111.7	66%	0.664	63%	0.627	S	S	*	*			trans	44.2	117.3	154.1	62.9	0	0	0	0	119.8
399	S	24	Very low	26.9	Very low	52 Å²	52	109.8 Å²	109.8	36%	0.364	62%	0.624	S	S	.	*			trans	74.1	66.1	142.4	43.6	0	0	0	0	120.3	V759	S399-V759 WeakPolarHBondContact O-CG2 3.48Å
400	K	27	Very low	27	Very low	104 Å²	104	109.8 Å²	109.8	45%	0.452	62%	0.624	S	S	.	*				60	175.5	117	-62.1	-175.8	-84	144.1	0	121.7	V759 H760	K400-V759 HydrophobicContact CB-CB 4.39Å; K400-V759 HydrophobicContact CB-CG1 4.07Å; K400-V759 WeakPolarHBondContact CB-O 3.4Å; K400-V759 HydrophobicContact CD-CG1 4.41Å; K400-V759 WeakPolarHBondContact CD-O 3.21Å; K400-V759 VanDerWaalsContact CE-CG1 3.46Å; K400-V759 WeakPolarHBondContact CE-O 3.49Å; K400-V759 HydrophobicContact CG-CG1 4.5Å; K400-V759 VanDerWaalsContact NZ-C 3.32Å; K400-V759 PolarHBondContact NZ-O 3.05Å; K400-H760 PolarHBondContact NZ-CD2 3.39Å; K400-H760 PolarHBondContact NZ-CE1 3.23Å; K400-H760 PolarHBondContact NZ-ND1 3.29Å; K400-H760 PolarHBondContact NZ-NE2 3.14Å; K400-H760 VanDerWaalsContact NZ-NE2 3.15Å
401	S	26.6	Very low	27	Very low	23 Å²	23	112.3 Å²	112.3	16%	0.161	62%	0.624	C	S	.	*			trans	79.9	162.8	173.4	66.7	0	0	0	0	118.1	G762 K764 S776	S401-G762 VanDerWaalsContact CB-C 3.42Å; S401-G762 WeakPolarHBondContact CB-O 3.17Å; S401-K764 WeakPolarHBondContact O-CE 3.08Å; S401-K764 PolarHBondContact O-NZ 3.32Å; S401-K764 WeakPolarHBondContact OG-CE 3.47Å; S401-K764 WeakPolarHBondContact OG-CG 3.23Å; S401-S776 WeakPolarHBondContact OG-CB 3.05Å
402	S	28.8	Very low	26.9	Very low	93 Å²	93	113.5 Å²	113.5	65%	0.65	62%	0.621	S	S	*	*			trans	-154.2	163.9	177	-90.8	0	0	0	0	111.7	G762	S402-G762 PolarHBondContact N-O 3.15Å
403	L	28.8	Very low	27	Very low	32 Å²	32	111.4 Å²	111.4	17%	0.168	62%	0.615	C	S	.	*			trans	-138.6	151.1	-165.3	-150	174.9	0	0	0	110.5	K405 K764 F766 E767 A774	L403-K405 HydrophobicContact CD2-CB 4.45Å; L403-K764 HydrophobicContact CB-CB 3.75Å; L403-K764 HydrophobicContact CB-CD 4.25Å; L403-K764 HydrophobicContact CD1-CB 3.74Å; L403-K764 VanDerWaalsContact CD1-O 3.32Å; L403-K764 WeakPolarHBondContact CD1-O 3.04Å; L403-K764 HydrophobicContact CG-CB 3.69Å; L403-K764 VanDerWaalsContact CG-O 3.25Å; L403-K764 WeakPolarHBondContact CG-O 3.26Å; L403-F766 VanDerWaalsContact CD1-O 3.22Å; L403-F766 WeakPolarHBondContact CD1-O 3.47Å; L403-E767 HydrophobicContact CD1-CB 3.74Å; L403-E767 HydrophobicContact CD1-CG 4.21Å; L403-E767 HydrophobicContact CD2-CB 4.26Å; L403-E767 HydrophobicContact CD2-CG 4.19Å; L403-A774 HydrophobicContact CB-CB 3.32Å; L403-A774 HydrophobicContact CD1-CB 4.5Å
404	L	29.5	Very low	26.9	Very low	119 Å²	119	107.9 Å²	107.9	62%	0.623	62%	0.615	S	S	*	*			trans	-167.7	171	132.5	-104.5	160.3	0	0	0	113.8	E767 G772	L404-E767 HydrophobicContact CD2-CG 4.45Å; L404-E767 WeakPolarHBondContact CD2-OE1 3.09Å; L404-G772 WeakPolarHBondContact CG-O 2.27Å
405	K	29.9	Very low	27	Very low	133 Å²	133	106.3 Å²	106.3	58%	0.578	61%	0.607	S	S	*	*			trans	-151.8	-149.2	-156.8	-154.8	-163.3	-72.3	139	0	112.2	L403 E767	L403-K405 HydrophobicContact CD2-CB 4.45Å; K405-E767 WeakPolarHBondContact CB-OE2 2.24Å; K405-E767 WeakPolarHBondContact CD-OE2 3.37Å; K405-E767 WeakPolarHBondContact CE-OE2 2.26Å; K405-E767 IonicContact NZ-OE2 3.72Å; K405-E767 PolarHBondContact NZ-OE2 3.44Å
406	I	31.7	Very low	26.9	Very low	125 Å²	125	107.1 Å²	107.1	64%	0.641	60%	0.604	S	S	*	*			trans	84.3	138.9	174.6	-61.6	170.9	0	0	0	114.8
407	N	30.9	Very low	26.9	Very low	144 Å²	144	103.1 Å²	103.1	77%	0.77	58%	0.583	S	S	*	*			cis	-156.8	174.5	-19.6	-105.5	2.4	0	0	0	111.3
408	P	32.3	Very low	26.9	Very low	62 Å²	62	102.4 Å²	102.4	40%	0.403	58%	0.576	S	S	.	*			trans	-126.9	-177.9	-161	46.3	-38.5	0	0	0	120.8	N716	P408-N716 WeakPolarHBondContact CB-ND2 3.45Å; P408-N716 VanDerWaalsContact CG-ND2 3.34Å; P408-N716 WeakPolarHBondContact CG-ND2 3.36Å
409	N	30.4	Very low	26.9	Very low	118 Å²	118	103.8 Å²	103.8	63%	0.631	57%	0.573	S	S	*	*			trans	82.1	131.7	166	-57.6	-9.3	0	0	0	117	N716	N409-N716 PolarHBondContact OD1-ND2 3.5Å
410	N	28.9	Very low	27	Very low	145 Å²	145	110.8 Å²	110.8	78%	0.775	59%	0.592	S	S	*	*			cis	-158.9	156.9	42.4	-142.9	7.4	0	0	0	114.7
411	Q	26.2	Very low	26.9	Very low	158 Å²	158	112.3 Å²	112.3	74%	0.738	61%	0.605	S	S	*	*			trans	76.4	119.8	168.7	-56.8	-158	28.3	0	0	122.6
412	L	23.6	Very low	26.9	Very low	138 Å²	138	116.8 Å²	116.8	72%	0.723	64%	0.636	S	S	*	*			trans	66.7	116	147.4	-93.2	76.2	0	0	0	124.1
413	T	23.8	Very low	26.8	Very low	121 Å²	121	117.3 Å²	117.3	74%	0.742	64%	0.635	S	S	*	*			trans	55.7	112	137.6	52.9	0	0	0	0	121.1
414	T	22.7	Very low	26.6	Very low	124 Å²	124	123.1 Å²	123.1	76%	0.761	67%	0.666	S	S	*	*			trans	-41.4	145.3	157	53.5	0	0	0	0	114
415	P	25.2	Very low	26.6	Very low	107 Å²	107	127.2 Å²	127.2	70%	0.695	68%	0.679	S	S	*	*				-130.8	-168	89.2	40.2	-32.9	0	0	0	114.4
416	L	23.5	Very low	26.4	Very low	113 Å²	113	127.8 Å²	127.8	59%	0.592	69%	0.688	S	S	*	*			trans	-70.4	-172.7	167.8	-67.6	154.7	0	0	0	111.6	T711	L416-T711 PolarHBondContact O-OG1 3.36Å
417	L	23.9	Very low	26.2	Very low	104 Å²	104	128.7 Å²	128.7	55%	0.545	69%	0.693	S	S	.	*			trans	75.5	105.3	177.5	-52.8	101.3	0	0	0	120.4	S708 T709 T710 T711	L417-S708 WeakPolarHBondContact CD2-O 3.27Å; L417-T709 WeakPolarHBondContact CA-OG1 3.43Å; L417-T710 CarbonylContact C-O 3.37Å; L417-T710 VanDerWaalsContact N-C 3.32Å; L417-T710 VanDerWaalsContact N-N 3.19Å; L417-T711 VanDerWaalsContact CA-OG1 3.25Å; L417-T711 WeakPolarHBondContact CA-OG1 3.03Å; L417-T711 PolarHBondContact N-OG1 3.26Å; L417-T711 PolarHBondContact O-OG1 2.96Å
418	G	23.2	Very low	25.9	Very low	41 Å²	41	127.1 Å²	127.1	42%	0.423	69%	0.692	S	S	.	*			trans	151.1	67.1	163.7	0	0	0	0	0	122.5	T710 T711	G418-T710 PolarHBondContact N-O 2.71Å; G418-T711 VanDerWaalsContact CA-CG2 3.42Å; G418-T711 PolarHBondContact N-OG1 2.76Å; G418-T711 VanDerWaalsContact O-CG2 3.27Å; G418-T711 WeakPolarHBondContact O-CG2 3.47Å
419	M	24.8	Very low	25.9	Very low	123 Å²	123	129.5 Å²	129.5	61%	0.606	71%	0.708	S	S	*	*			trans	28.3	140.6	136.8	-52.8	-177.6	73.1	0	0	125.8	T709	M419-T709 HydrophobicContact CG-CG2 3.95Å
420	R	24.8	Very low	25.9	Very low	200 Å²	200	131.5 Å²	131.5	76%	0.755	71%	0.713	S	S	*	*			trans	65.3	118.9	133.3	-77.5	-171.3	178.2	161.1	-4.2	125
421	N	25.7	Very low	26	Very low	136 Å²	136	131.1 Å²	131.1	73%	0.727	72%	0.716	S	S	*	*				63	137.5	117.6	-59.1	13.4	0	0	0	124.9
422	S	26.8	Very low	26.1	Very low	116 Å²	116	129.7 Å²	129.7	81%	0.811	71%	0.712	S	S	*	*			trans	69.9	158.5	151.9	70	0	0	0	0	117.1
423	V	26.3	Very low	26.6	Very low	105 Å²	105	131.9 Å²	131.9	64%	0.636	72%	0.715	S	S	*	*			cis	-128.8	133.6	9.3	-166.1	0	0	0	0	106.6
424	D	25.5	Very low	27.1	Very low	153 Å²	153	134.1 Å²	134.1	82%	0.818	72%	0.715	S	S	*	*	S	Bend		-147.5	92	85.3	-87.5	-33.9	0	0	0	113.7
425	K	28.1	Very low	27.3	Very low	205 Å²	205	134.6 Å²	134.6	89%	0.891	71%	0.713	S	S	*	*	S	Bend	trans	-138.7	136.2	133.2	-87.4	-161.2	174.5	-174.2	0	108.2
426	L	26.9	Very low	27.4	Very low	145 Å²	145	134.1 Å²	134.1	76%	0.759	71%	0.712	S	S	*	*			trans	-76.2	128	-170.7	-72.9	161.6	0	0	0	112.6
427	L	26.7	Very low	27.9	Very low	145 Å²	145	134.3 Å²	134.3	76%	0.759	72%	0.718	S	S	*	*			trans	61.4	155.1	153.9	-72.4	83.4	0	0	0	117.9
428	C	24.5	Very low	28.2	Very low	111 Å²	111	136.6 Å²	136.6	75%	0.75	73%	0.73	S	S	*	*			cis	-157	174.9	-17.9	-110.1	0	0	0	0	110.1
429	P	32.4	Very low	28.5	Very low	111 Å²	111	138.5 Å²	138.5	72%	0.721	74%	0.742	S	S	*	*			trans	-128.1	-157.6	-153.5	43.8	-28.9	0	0	0	117.5
430	E	30.3	Very low	28.8	Very low	161 Å²	161	137.6 Å²	137.6	75%	0.752	75%	0.748	S	S	*	*			trans	88.6	153.9	173.1	-50.2	-145.8	117.4	0	0	116.1
431	V	30.5	Very low	29	Very low	136 Å²	136	137.6 Å²	137.6	82%	0.824	75%	0.754	S	S	*	*			cis	-137.7	171.4	33.4	173.5	0	0	0	0	113.6
432	I	28.5	Very low	29.1	Very low	129 Å²	129	137.1 Å²	137.1	66%	0.662	76%	0.758	S	S	*	*			trans	-120	157.9	-165.5	-53.6	158.6	0	0	0	112.7
433	K	34.3	Very low	29.2	Very low	183 Å²	183	140.5 Å²	140.5	80%	0.796	76%	0.758	S	S	*	*			trans	134.8	152	150.2	-73.9	155.1	-169.7	169.8	0	112.4
434	K	34.1	Very low	29.3	Very low	168 Å²	168	143.6 Å²	143.6	73%	0.73	77%	0.765	S	S	*	*			cis	-168.6	153.8	-15.1	-116.1	-172.5	174	-173.4	0	109.7
435	N	27.6	Very low	29.4	Very low	134 Å²	134	141.4 Å²	141.4	72%	0.717	76%	0.762	S	S	*	*			trans	49.7	156.2	137	-65.4	25.1	0	0	0	122
436	S	28.2	Very low	29.5	Very low	97 Å²	97	139 Å²	139	68%	0.678	75%	0.754	S	S	*	*			cis	-178.8	176.6	-10.9	46.8	0	0	0	0	111.8
437	V	33.5	Very low	29.6	Very low	118 Å²	118	140.5 Å²	140.5	72%	0.715	75%	0.754	S	S	*	*			trans	101.5	111.4	155.3	-178.8	0	0	0	0	119.8
438	D	30.2	Very low	29.6	Very low	151 Å²	151	137.4 Å²	137.4	81%	0.807	74%	0.744	S	S	*	*				38.5	155.4	127	-50.8	-19	0	0	0	123.8
439	A	30	Very low	29.8	Very low	81 Å²	81	140.1 Å²	140.1	67%	0.669	74%	0.744	S	S	*	*			cis	-170.1	163.1	-22.9	0	0	0	0	0	113.5
440	S	30.5	Very low	29.6	Very low	105 Å²	105	143.8 Å²	143.8	73%	0.734	75%	0.745	S	S	*	*			trans	75.2	118.2	145.3	67.4	0	0	0	0	124.5
441	K	29.2	Very low	29.6	Very low	200 Å²	200	143.6 Å²	143.6	87%	0.87	74%	0.743	S	S	*	*			trans	74.3	119.1	137.1	-68.2	175	179.5	171.7	0	122.4
442	P	27.5	Very low	29.6	Very low	125 Å²	125	141.7 Å²	141.7	81%	0.812	74%	0.736	S	S	*	*			trans	-105.5	167.3	159.5	39.4	-32.5	0	0	0	113.6
443	K	29.6	Very low	29.6	Very low	188 Å²	188	142.8 Å²	142.8	82%	0.817	74%	0.743	S	S	*	*			trans	-163.8	129.8	161.9	-116.2	-175.4	177.9	-173.7	0	116.6
444	H	27.7	Very low	29.3	Very low	170 Å²	170	137.8 Å²	137.8	79%	0.787	74%	0.735	S	S	*	*			trans	69.6	156.1	146	-85.4	-61.3	0	0	0	125.5
445	S	28	Very low	29.2	Very low	107 Å²	107	137.9 Å²	137.9	75%	0.748	74%	0.738	S	S	*	*			trans	89.1	140.8	160.8	85.2	0	0	0	0	116.5
446	Q	28.6	Very low	29.3	Very low	154 Å²	154	137.3 Å²	137.3	72%	0.72	74%	0.74	S	S	*	*			cis	-163.7	168.8	-11.7	-128	-175.6	21.2	0	0	111.5
447	K	30.3	Very low	29.4	Very low	176 Å²	176	137.2 Å²	137.2	77%	0.765	74%	0.739	S	S	*	*			trans	70.3	151.1	156	-72.8	163.5	-179.3	170.6	0	118.6
448	S	26.7	Very low	29.1	Very low	80 Å²	80	138 Å²	138	56%	0.559	74%	0.737	S	S	*	*			cis	-178.4	161.3	-27.1	45.9	0	0	0	0	110.8
449	F	29.5	Very low	28.9	Very low	168 Å²	168	135.2 Å²	135.2	74%	0.737	73%	0.729	S	S	*	*			trans	74.3	147.4	167.2	-59.4	-68.1	0	0	0	117.6
450	Y	27.7	Very low	28.8	Very low	188 Å²	188	140.6 Å²	140.6	74%	0.737	73%	0.732	S	S	*	*			cis	-134.6	158.7	-2.6	-115.6	-71.1	0	0	0	110.9
451	H	30.1	Very low	28.8	Very low	157 Å²	157	142.8 Å²	142.8	73%	0.727	73%	0.734	S	S	*	*			trans	-13.6	156.3	160.7	-79.5	-106.2	0	0	0	119.8
452	S	29.6	Very low	28.7	Very low	96 Å²	96	138 Å²	138	67%	0.671	73%	0.726	S	S	*	*			cis	-167.1	172.1	16.7	-109.9	0	0	0	0	108.3
453	L	28.2	Very low	28.9	Very low	153 Å²	153	140.4 Å²	140.4	80%	0.801	72%	0.724	S	S	*	*			cis	-170.6	157.7	-18.2	-176.3	64.6	0	0	0	108.2
454	A	29.6	Very low	28.8	Very low	77 Å²	77	137 Å²	137	64%	0.636	72%	0.715	S	S	*	*			trans	66.1	143.1	164.6	0	0	0	0	0	118.4
455	E	30.8	Very low	28.8	Very low	170 Å²	170	137.7 Å²	137.7	79%	0.794	72%	0.715	S	S	*	*			cis	-153.3	153.3	-4.7	-127.2	161.7	-151.6	0	0	113.6
456	T	30.9	Very low	29	Very low	122 Å²	122	138.5 Å²	138.5	75%	0.748	71%	0.71	S	S	*	*			trans	22.3	143.7	153.7	48.4	0	0	0	0	123.2
457	S	29.6	Very low	28.9	Very low	96 Å²	96	137.5 Å²	137.5	67%	0.671	71%	0.71	S	S	*	*			cis	-177.2	147.8	-6.5	50	0	0	0	0	114.7
458	M	26.5	Very low	29	Very low	134 Å²	134	135.7 Å²	135.7	66%	0.66	71%	0.708	S	S	*	*			trans	60.1	105.3	137.7	-66.9	-73.7	-78.2	0	0	121
459	S	26.9	Very low	29	Very low	92 Å²	92	137.7 Å²	137.7	64%	0.643	71%	0.713	S	S	*	*				98.2	165.8	94.7	83	0	0	0	0	114.1
460	R	27.9	Very low	28.8	Very low	194 Å²	194	136.3 Å²	136.3	73%	0.732	71%	0.713	S	S	*	*			cis	-168.3	163.3	7.9	-135.1	164.4	-160.7	177.9	5.7	110
461	I	29.7	Very low	28.8	Very low	151 Å²	151	134.4 Å²	134.4	77%	0.774	72%	0.721	S	S	*	*			trans	69.7	136.8	159.1	-60.4	155.2	0	0	0	116.1
462	S	28	Very low	28.5	Very low	101 Å²	101	132.7 Å²	132.7	71%	0.706	72%	0.721	S	S	*	*			cis	116.6	151.4	-0.4	-168	0	0	0	0	115.2
463	K	30.9	Very low	28.4	Very low	175 Å²	175	135.7 Å²	135.7	76%	0.761	73%	0.73	S	S	*	*			trans	84.5	152.3	174.7	-55.3	-163.5	166.5	-165.5	0	118.4
464	D	27.7	Very low	28.1	Very low	117 Å²	117	134.1 Å²	134.1	63%	0.626	73%	0.727	S	S	*	*			cis	-168.3	-176.2	-24.7	-94.3	-26	0	0	0	108.7
465	F	28.7	Very low	28	Very low	183 Å²	183	136.7 Å²	136.7	80%	0.803	74%	0.735	S	S	*	*			trans	80.3	149.4	165.3	-69.8	-101	0	0	0	119.9
466	I	30.6	Very low	27.6	Very low	125 Å²	125	134.3 Å²	134.3	64%	0.641	73%	0.732	S	S	*	*			cis	-172.5	153.8	-45.5	-111.5	160.9	0	0	0	109.3
467	N	28	Very low	27.3	Very low	132 Å²	132	135 Å²	135	71%	0.706	74%	0.737	S	S	*	*			trans	18.3	146.1	159.8	-55.6	-10.1	0	0	0	120.5
468	N	31.1	Very low	27.1	Very low	138 Å²	138	135.8 Å²	135.8	74%	0.738	74%	0.737	S	S	*	*				-168.6	177.4	54.4	-140	-21.5	0	0	0	115.6
469	N	27.3	Very low	27	Very low	123 Å²	123	134.9 Å²	134.9	66%	0.658	74%	0.74	S	S	*	*			trans	-76.4	155.8	-165.5	-66.8	-84.5	0	0	0	117.7
470	N	25.9	Very low	26.9	Very low	139 Å²	139	137.3 Å²	137.3	74%	0.743	75%	0.75	S	S	*	*			trans	27.1	129.2	137.3	-48.7	-26.6	0	0	0	120.5
471	T	26.8	Very low	26.8	Very low	147 Å²	147	136.1 Å²	136.1	90%	0.902	75%	0.75	S	S	*	*				-170.7	162	108.7	18	0	0	0	0	115
472	V	24.9	Very low	26.7	Very low	121 Å²	121	134.5 Å²	134.5	73%	0.733	75%	0.753	S	S	*	*			trans	-64.8	142.8	179.8	174.8	0	0	0	0	113.3
473	N	26.4	Very low	26.7	Very low	160 Å²	160	134 Å²	134	86%	0.856	75%	0.747	S	S	*	*				-172.8	165.1	129.9	-99.9	-37.3	0	0	0	115.8
474	T	22.5	Very low	26.6	Very low	119 Å²	119	131.8 Å²	131.8	73%	0.73	74%	0.744	S	S	*	*			trans	-112.6	140.6	-168	50.1	0	0	0	0	114.6
475	T	26.3	Very low	26.6	Very low	132 Å²	132	136.6 Å²	136.6	81%	0.81	76%	0.759	S	S	*	*			trans	-171.6	125.4	147.2	36	0	0	0	0	107.6
476	T	22.6	Very low	26.5	Very low	120 Å²	120	134.4 Å²	134.4	74%	0.736	76%	0.755	S	S	*	*				73.6	90.3	52	66.3	0	0	0	0	116.4
477	T	25.5	Very low	26.4	Very low	137 Å²	137	137.2 Å²	137.2	84%	0.84	77%	0.765	S	S	*	*			trans	-176.6	153	146.1	30.7	0	0	0	0	108.2
478	T	24.2	Very low	26.4	Very low	111 Å²	111	136 Å²	136	68%	0.681	77%	0.768	S	S	*	*				178.4	125.9	-53.2	26	0	0	0	0	107.8
479	T	24.6	Very low	26.1	Very low	116 Å²	116	137.2 Å²	137.2	71%	0.712	77%	0.773	S	S	*	*			trans	65.8	154.6	160.8	56.2	0	0	0	0	117.5	F481	T479-F481 HydrophobicContact CG2-CE2 4.35Å
480	V	26.4	Very low	26.1	Very low	142 Å²	142	139.3 Å²	139.3	86%	0.861	78%	0.778	S	S	*	*			cis	-130.8	162.2	39.8	177.7	0	0	0	0	113.9
481	F	25.4	Very low	26	Very low	169 Å²	169	137.7 Å²	137.7	74%	0.741	78%	0.777	S	S	*	*			trans	-99.8	163.4	-168.3	-83.4	-97.4	0	0	0	116.4	T479	T479-F481 HydrophobicContact CG2-CE2 4.35Å
482	S	27.9	Very low	25.9	Very low	118 Å²	118	136.5 Å²	136.5	83%	0.825	77%	0.774	S	S	*	*			trans	-152.4	152.1	135.5	-82.8	0	0	0	0	110.8
483	P	27.2	Very low	25.9	Very low	91 Å²	91	137.2 Å²	137.2	59%	0.591	78%	0.779	S	S	*	*			trans	-132.8	172.5	-131	42	-27.8	0	0	0	118.2
484	N	29.2	Very low	25.9	Very low	128 Å²	128	138.6 Å²	138.6	68%	0.684	78%	0.777	S	S	*	*			trans	68.8	120.9	163.8	-49.6	-31.5	0	0	0	116.8	L486	N484-L486 HydrophobicContact CB-CB 4.24Å
485	F	26.7	Very low	26	Very low	217 Å²	217	140.3 Å²	140.3	95%	0.952	78%	0.782	S	S	*	*			cis	59.9	37.3	-3.9	-129.4	-81	0	0	0	118.3
486	L	26.8	Very low	26.1	Very low	137 Å²	137	138.7 Å²	138.7	72%	0.717	77%	0.774	S	S	*	*			trans	-153.4	44.6	168.7	-121.4	179.5	0	0	0	115.1	N484	N484-L486 HydrophobicContact CB-CB 4.24Å
487	H	28.6	Very low	26.2	Very low	184 Å²	184	140.4 Å²	140.4	85%	0.852	78%	0.778	S	S	*	*			trans	-151.5	70.3	164.5	-121.7	68	0	0	0	114.2
488	S	27.8	Very low	26.3	Very low	108 Å²	108	141.5 Å²	141.5	76%	0.755	78%	0.777	S	S	*	*			trans	-104	159.3	143.5	-173.5	0	0	0	0	107.4
489	L	25.2	Very low	26.5	Very low	162 Å²	162	144.4 Å²	144.4	85%	0.848	78%	0.783	S	S	*	*			trans	70.9	75.1	177	-52.9	167.4	0	0	0	117.2
490	H	26.4	Very low	26.6	Very low	168 Å²	168	145.2 Å²	145.2	78%	0.778	78%	0.783	S	S	*	*				-146.9	153.1	123.7	-153.7	-91.5	0	0	0	111.9
491	C	24	Very low	26.6	Very low	104 Å²	104	142.7 Å²	142.7	70%	0.703	77%	0.772	S	S	*	*			trans	-89.6	162.5	-177.4	-68.4	0	0	0	0	113.8
492	S	24.5	Very low	26.8	Very low	122 Å²	122	140.9 Å²	140.9	85%	0.853	78%	0.775	S	S	*	*			trans	-27.4	125.3	161.7	-47.5	0	0	0	0	116
493	V	27	Very low	26.7	Very low	136 Å²	136	141.9 Å²	141.9	82%	0.824	77%	0.77	S	S	*	*			trans	-130.8	137.6	150.9	179.3	0	0	0	0	108
494	K	25.6	Very low	26.7	Very low	189 Å²	189	144.1 Å²	144.1	82%	0.822	78%	0.777	S	S	*	*			trans	-91.8	168.9	176.3	-64.2	175.4	-179.3	172.4	0	110.4
495	N	25	Very low	26.7	Very low	156 Å²	156	143.4 Å²	143.4	83%	0.834	78%	0.782	S	S	*	*			trans	74.9	154	162	-85.6	7.4	0	0	0	117.9
496	P	26.9	Very low	26.8	Very low	98 Å²	98	140.4 Å²	140.4	64%	0.636	78%	0.775	S	S	*	*	S	Bend	trans	-86.5	175.7	179.4	38.1	-37.7	0	0	0	112.3
497	N	25.7	Very low	26.6	Very low	155 Å²	155	141.2 Å²	141.2	83%	0.829	78%	0.779	S	S	*	*			trans	61.9	94.6	164.9	-58.5	-13.1	0	0	0	116.3
498	I	27	Very low	26.6	Very low	160 Å²	160	140.2 Å²	140.2	82%	0.821	78%	0.78	S	S	*	*			trans	-127.4	110.8	150.3	-61	-179.7	0	0	0	108.4
499	Q	28.2	Very low	26.4	Very low	172 Å²	172	140.8 Å²	140.8	80%	0.804	78%	0.778	S	S	*	*			trans	-94.6	139.8	141.9	-86.9	-166.5	-14.7	0	0	107.1
500	N	27.1	Very low	26.3	Very low	133 Å²	133	138.5 Å²	138.5	71%	0.711	77%	0.774	S	S	*	*			trans	64.3	149.8	162.9	-57.1	-21.4	0	0	0	115.9
501	S	27.6	Very low	26.4	Very low	89 Å²	89	136.4 Å²	136.4	62%	0.622	78%	0.779	S	S	*	*			cis	-168.4	154.8	-18	45	0	0	0	0	107.1
502	T	27.7	Very low	26.6	Very low	131 Å²	131	139.1 Å²	139.1	80%	0.804	78%	0.781	S	S	*	*			trans	61.6	148.8	172.7	46.2	0	0	0	0	115.2
503	L	27.5	Very low	26.8	Very low	140 Å²	140	138.9 Å²	138.9	73%	0.733	78%	0.776	S	S	*	*			cis	-151.5	163.2	8.8	-125.5	161.6	0	0	0	109.9
504	N	26.3	Very low	26.7	Very low	138 Å²	138	136.6 Å²	136.6	74%	0.738	77%	0.766	S	S	*	*			trans	-26.4	136.1	171.2	-50.4	-18	0	0	0	117.3
505	S	30.2	Very low	26.8	Very low	113 Å²	113	134 Å²	134	79%	0.79	77%	0.766	S	S	*	*				-174.5	161.2	108.2	-80.2	0	0	0	0	113.8
506	L	27.2	Very low	26.8	Very low	153 Å²	153	131.8 Å²	131.8	80%	0.801	76%	0.758	S	S	*	*			trans	-46.7	143.5	-173.1	-63.3	78.6	0	0	0	114.7
507	L	23.9	Very low	26.8	Very low	154 Å²	154	134.5 Å²	134.5	81%	0.806	76%	0.764	S	S	*	*				49.9	86.1	68.2	-86.8	166.6	0	0	0	114.1
508	L	27.4	Very low	27.1	Very low	164 Å²	164	131.6 Å²	131.6	86%	0.859	76%	0.756	S	S	*	*				-170.4	156.1	107.9	-125.6	63.3	0	0	0	115.8
509	V	24.6	Very low	27.2	Very low	120 Å²	120	129.9 Å²	129.9	73%	0.727	75%	0.747	S	S	*	*			trans	-48.1	145.4	176.5	171.3	0	0	0	0	116.1
510	C	22.7	Very low	27.4	Very low	113 Å²	113	128.6 Å²	128.6	76%	0.764	75%	0.746	S	S	*	*			trans	62.4	119.8	162.9	-74	0	0	0	0	119.5
511	S	27.4	Very low	27.7	Very low	125 Å²	125	125.4 Å²	125.4	87%	0.874	73%	0.734	S	S	*	*				-173.2	152	108.8	-79.7	0	0	0	0	112.9
512	Q	28.5	Very low	27.9	Very low	160 Å²	160	124.5 Å²	124.5	75%	0.748	72%	0.72	S	S	*	*			trans	-88.7	169.5	166.5	-132	-168.9	54.7	0	0	109.1	C514	Q512-C514 PolarHBondContact OE1-SG 3.39Å; Q512-C514 VanDerWaalsContact OE1-SG 3.38Å
513	P	28.5	Very low	28	Very low	117 Å²	117	123.3 Å²	123.3	76%	0.76	71%	0.708	S	S	*	*				-154.9	160.8	70	40.4	-19.2	0	0	0	119.6
514	C	26	Very low	28.1	Very low	89 Å²	89	120.9 Å²	120.9	60%	0.601	70%	0.703	S	S	*	*			trans	13.7	178.5	136.2	-51	0	0	0	0	125.6	Q512	Q512-C514 PolarHBondContact OE1-SG 3.39Å; Q512-C514 VanDerWaalsContact OE1-SG 3.38Å
515	T	26.7	Very low	28.2	Very low	135 Å²	135	119.6 Å²	119.6	83%	0.828	70%	0.7	S	S	*	*			trans	89	147.2	166	77.2	0	0	0	0	115.7
516	T	25.8	Very low	28.1	Very low	109 Å²	109	121.1 Å²	121.1	67%	0.669	70%	0.699	S	S	*	*			cis	-134.9	135.9	10.2	47.1	0	0	0	0	112.2
517	M	26.7	Very low	28.2	Very low	155 Å²	155	119.4 Å²	119.4	76%	0.764	70%	0.695	S	S	*	*				69.4	152.6	106.3	-55.2	176.2	69.7	0	0	116.8	I519	M517-I519 HydrophobicContact CE-CD1 4.16Å; M517-I519 HydrophobicContact CG-CD1 4.42Å
518	S	31.6	Very low	28.4	Very low	94 Å²	94	117.4 Å²	117.4	66%	0.657	69%	0.694	S	S	*	*			cis	-129.1	152.7	0.8	-82.3	0	0	0	0	109.3
519	I	30.3	Very low	28.7	Very low	124 Å²	124	114.5 Å²	114.5	64%	0.636	69%	0.687	S	S	*	*			cis	78.4	107.9	44.6	-55.1	160.3	0	0	0	113.6	M517	M517-I519 HydrophobicContact CE-CD1 4.16Å; M517-I519 HydrophobicContact CG-CD1 4.42Å
520	D	31	Very low	28.9	Very low	144 Å²	144	115 Å²	115	77%	0.77	69%	0.691	S	S	*	*				-156.4	137.2	117.8	-94.4	-35.9	0	0	0	107.9
521	S	34.3	Very low	29.1	Very low	67 Å²	67	114.4 Å²	114.4	47%	0.469	69%	0.687	S	S	.	*				75.2	125.8	54.6	-147.4	0	0	0	0	111.3	H534 K535	S521-H534 VanDerWaalsContact CA-CB 3.46Å; S521-H534 WeakPolarHBondContact CA-CD2 3.5Å; S521-K535 CarbonylContact C-O 3.44Å
522	E	32.6	Very low	29.3	Very low	69 Å²	69	113.4 Å²	113.4	32%	0.322	68%	0.679	S	S	.	*			cis	-88.2	164.4	31.8	170.4	-82	146.5	0	0	124.5	T533 H534 K535 Q536	E522-T533 WeakPolarHBondContact O-CA 3.48Å; E522-T533 WeakPolarHBondContact O-CB 3.3Å; E522-T533 VanDerWaalsContact O-CG2 3.26Å; E522-T533 WeakPolarHBondContact O-CG2 3.23Å; E522-H534 VanDerWaalsContact C-CB 3.46Å; E522-H534 VanDerWaalsContact CA-CB 3.42Å; E522-H534 WeakPolarHBondContact CA-CD2 3.44Å; E522-H534 WeakPolarHBondContact CA-CE1 3.31Å; E522-H534 WeakPolarHBondContact CA-ND1 3.15Å; E522-H534 WeakPolarHBondContact CA-NE2 3.25Å; E522-H534 WeakPolarHBondContact CB-CE1 3.47Å; E522-H534 WeakPolarHBondContact CB-ND1 3.35Å; E522-H534 WeakPolarHBondContact CB-NE2 3.21Å; E522-H534 WeakPolarHBondContact CG-CE1 3.01Å; E522-H534 WeakPolarHBondContact CG-ND1 3.31Å; E522-H534 PolarHBondContact N-CD2 2.87Å; E522-H534 PolarHBondContact N-ND1 3.3Å; E522-H534 VanDerWaalsContact N-ND1 3.1Å; E522-H534 WeakPolarHBondContact O-CA 3.33Å; E522-H534 WeakPolarHBondContact O-CB 3.45Å; E522-H534 PolarHBondContact O-CD2 3Å; E522-H534 PolarHBondContact O-CE1 2.65Å; E522-H534 PolarHBondContact O-ND1 3.23Å; E522-H534 PolarHBondContact O-NE2 3Å; E522-H534 IonicContact OE1-CE1 3.36Å; E522-H534 PolarHBondContact OE1-CE1 2.8Å; E522-H534 VanDerWaalsContact OE1-CE1 3.25Å; E522-H534 IonicContact OE1-ND1 2.95Å; E522-H534 IonicContact OE2-CE1 3.86Å; E522-H534 PolarHBondContact OE2-CE1 3.02Å; E522-H534 IonicContact OE2-ND1 3.25Å; E522-H534 PolarHBondContact OE2-ND1 3.34Å; E522-K535 PolarHBondContact N-O 3.1Å; E522-K535 IonicContact OE1-NZ 3.65Å; E522-K535 PolarHBondContact OE1-NZ 3.23Å; E522-K535 WeakPolarHBondContact OE2-CE 3.21Å; E522-K535 IonicContact OE2-NZ 3.62Å; E522-K535 PolarHBondContact OE2-NZ 3.12Å; E522-Q536 PolarHBondContact OE2-NE2 3.41Å
523	L	29.6	Very low	29.3	Very low	107 Å²	107	109.2 Å²	109.2	56%	0.56	67%	0.665	S	S	*	*				42.2	146.5	66	-97.8	63.4	0	0	0	116	T533 H534 K535	L523-T533 HydrophobicContact CD1-CG2 4.04Å; L523-H534 VanDerWaalsContact C-CE1 3.44Å; L523-H534 WeakPolarHBondContact CA-CE1 3.34Å; L523-H534 WeakPolarHBondContact CA-NE2 3.11Å; L523-H534 WeakPolarHBondContact CB-CE1 3.17Å; L523-H534 VanDerWaalsContact CB-NE2 3.31Å; L523-H534 WeakPolarHBondContact CB-NE2 3.37Å; L523-H534 PolarHBondContact N-CD2 3.05Å; L523-H534 PolarHBondContact N-CE1 3.01Å; L523-H534 PolarHBondContact N-ND1 3.13Å; L523-H534 PolarHBondContact N-NE2 3.26Å; L523-H534 PolarHBondContact O-CE1 3.46Å; L523-H534 PolarHBondContact O-ND1 3.29Å; L523-K535 WeakPolarHBondContact O-CD 3.41Å; L523-K535 PolarHBondContact O-NZ 3.03Å
524	S	29.7	Very low	29.3	Very low	88 Å²	88	106.4 Å²	106.4	62%	0.615	64%	0.642	S	S	*	*			cis	-147.3	163.5	-0.3	57.1	0	0	0	0	108.3
525	T	28.5	Very low	29.4	Very low	112 Å²	112	107.6 Å²	107.6	69%	0.687	64%	0.636	S	S	*	*			cis	-142.4	149.4	21.1	45.9	0	0	0	0	112.8
526	L	27.2	Very low	29.6	Very low	145 Å²	145	106.9 Å²	106.9	76%	0.759	62%	0.624	S	S	*	*			trans	27.1	137.8	135.4	-66.1	82.3	0	0	0	119.7
527	T	28.4	Very low	29.7	Very low	117 Å²	117	109.3 Å²	109.3	72%	0.718	63%	0.628	S	S	*	*			cis	-138.8	154.5	19.6	49.3	0	0	0	0	113.5
528	S	28.8	Very low	29.8	Very low	112 Å²	112	110.1 Å²	110.1	78%	0.783	63%	0.63	S	S	*	*	S	Bend	trans	43.9	99	155.4	59.7	0	0	0	0	117.3
529	S	33.5	Very low	29.6	Very low	102 Å²	102	115.8 Å²	115.8	71%	0.713	64%	0.638	S	S	*	*	S	Bend	cis	-149.3	138.4	13.1	51.2	0	0	0	0	112.2
530	T	29.9	Very low	29.5	Very low	131 Å²	131	114.8 Å²	114.8	80%	0.804	64%	0.64	S	S	*	*			trans	41.4	84.8	160.1	54.9	0	0	0	0	115.2
531	C	26.7	Very low	29.3	Very low	101 Å²	101	112.6 Å²	112.6	68%	0.682	64%	0.635	S	S	*	*			cis	57.3	102.6	28.5	-164.7	0	0	0	0	113.7
532	S	30.5	Very low	28.9	Very low	103 Å²	103	114.2 Å²	114.2	72%	0.72	64%	0.642	S	S	*	*			trans	-167.5	102.8	134.1	-93.5	0	0	0	0	108.4
533	T	28.4	Very low	28.6	Very low	73 Å²	73	118.5 Å²	118.5	45%	0.448	66%	0.662	S	S	.	*				77.2	134.9	91.3	64.7	0	0	0	0	113.4	E522 L523	E522-T533 WeakPolarHBondContact O-CA 3.48Å; E522-T533 WeakPolarHBondContact O-CB 3.3Å; E522-T533 VanDerWaalsContact O-CG2 3.26Å; E522-T533 WeakPolarHBondContact O-CG2 3.23Å; L523-T533 HydrophobicContact CD1-CG2 4.04Å
534	H	29.8	Very low	28.4	Very low	58 Å²	58	118.4 Å²	118.4	27%	0.269	67%	0.666	S	S	.	*			cis	-151.1	-174.3	10.7	-111.5	-73.7	0	0	0	106.4	S521 E522 L523	S521-H534 VanDerWaalsContact CA-CB 3.46Å; S521-H534 WeakPolarHBondContact CA-CD2 3.5Å; E522-H534 VanDerWaalsContact C-CB 3.46Å; E522-H534 VanDerWaalsContact CA-CB 3.42Å; E522-H534 WeakPolarHBondContact CA-CD2 3.44Å; E522-H534 WeakPolarHBondContact CA-CE1 3.31Å; E522-H534 WeakPolarHBondContact CA-ND1 3.15Å; E522-H534 WeakPolarHBondContact CA-NE2 3.25Å; E522-H534 WeakPolarHBondContact CB-CE1 3.47Å; E522-H534 WeakPolarHBondContact CB-ND1 3.35Å; E522-H534 WeakPolarHBondContact CB-NE2 3.21Å; E522-H534 WeakPolarHBondContact CG-CE1 3.01Å; E522-H534 WeakPolarHBondContact CG-ND1 3.31Å; E522-H534 PolarHBondContact N-CD2 2.87Å; E522-H534 PolarHBondContact N-ND1 3.3Å; E522-H534 VanDerWaalsContact N-ND1 3.1Å; E522-H534 WeakPolarHBondContact O-CA 3.33Å; E522-H534 WeakPolarHBondContact O-CB 3.45Å; E522-H534 PolarHBondContact O-CD2 3Å; E522-H534 PolarHBondContact O-CE1 2.65Å; E522-H534 PolarHBondContact O-ND1 3.23Å; E522-H534 PolarHBondContact O-NE2 3Å; E522-H534 IonicContact OE1-CE1 3.36Å; E522-H534 PolarHBondContact OE1-CE1 2.8Å; E522-H534 VanDerWaalsContact OE1-CE1 3.25Å; E522-H534 IonicContact OE1-ND1 2.95Å; E522-H534 IonicContact OE2-CE1 3.86Å; E522-H534 PolarHBondContact OE2-CE1 3.02Å; E522-H534 IonicContact OE2-ND1 3.25Å; E522-H534 PolarHBondContact OE2-ND1 3.34Å; L523-H534 VanDerWaalsContact C-CE1 3.44Å; L523-H534 WeakPolarHBondContact CA-CE1 3.34Å; L523-H534 WeakPolarHBondContact CA-NE2 3.11Å; L523-H534 WeakPolarHBondContact CB-CE1 3.17Å; L523-H534 VanDerWaalsContact CB-NE2 3.31Å; L523-H534 WeakPolarHBondContact CB-NE2 3.37Å; L523-H534 PolarHBondContact N-CD2 3.05Å; L523-H534 PolarHBondContact N-CE1 3.01Å; L523-H534 PolarHBondContact N-ND1 3.13Å; L523-H534 PolarHBondContact N-NE2 3.26Å; L523-H534 PolarHBondContact O-CE1 3.46Å; L523-H534 PolarHBondContact O-ND1 3.29Å
535	K	27.5	Very low	28.2	Very low	113 Å²	113	118.8 Å²	118.8	49%	0.491	67%	0.669	S	S	.	*			cis	70.9	87.8	18.7	-77.8	-176.9	70.6	-143.3	0	116	S521 E522 L523	S521-K535 CarbonylContact C-O 3.44Å; E522-K535 PolarHBondContact N-O 3.1Å; E522-K535 IonicContact OE1-NZ 3.65Å; E522-K535 PolarHBondContact OE1-NZ 3.23Å; E522-K535 WeakPolarHBondContact OE2-CE 3.21Å; E522-K535 IonicContact OE2-NZ 3.62Å; E522-K535 PolarHBondContact OE2-NZ 3.12Å; L523-K535 WeakPolarHBondContact O-CD 3.41Å; L523-K535 PolarHBondContact O-NZ 3.03Å
536	Q	30.4	Very low	28.3	Very low	120 Å²	120	119.8 Å²	119.8	56%	0.561	68%	0.675	S	S	*	*				-166.4	151.2	87.3	-92.4	170.6	15	0	0	111.6	E522	E522-Q536 PolarHBondContact OE2-NE2 3.41Å
537	Q	28.6	Very low	28.2	Very low	161 Å²	161	116.9 Å²	116.9	75%	0.752	67%	0.666	S	S	*	*				42.7	128.8	96.1	-43.1	178	-11.6	0	0	113.4
538	Q	27.8	Very low	28.2	Very low	172 Å²	172	120 Å²	120	80%	0.804	67%	0.672	S	S	*	*			cis	-141.6	167.5	32.5	-69.2	178.7	-5.8	0	0	115.2
539	Y	28.3	Very low	28.4	Very low	213 Å²	213	119.8 Å²	119.8	84%	0.835	67%	0.669	S	S	*	*			trans	-15.9	165.4	146	-64.6	-94.2	0	0	0	118.8
540	P	28.6	Very low	28.2	Very low	103 Å²	103	120 Å²	120	67%	0.669	67%	0.67	S	S	*	*			cis	-123.1	-177.2	-44	33.7	-14	0	0	0	108.4
541	S	26.5	Very low	28.3	Very low	97 Å²	97	118 Å²	118	68%	0.678	66%	0.662	S	S	*	*			cis	-158.9	142.5	43.1	-76.4	0	0	0	0	109.7
542	V	26.7	Very low	28.7	Very low	101 Å²	101	117.3 Å²	117.3	61%	0.612	66%	0.656	S	S	*	*				60.7	85.3	63.7	175.9	0	0	0	0	107.8
543	E	24.7	Very low	28.5	Very low	160 Å²	160	116.1 Å²	116.1	75%	0.748	64%	0.641	S	S	*	*				80	168	101.3	-75.5	162.7	-133.4	0	0	112.1
544	T	26.9	Very low	28.7	Very low	105 Å²	105	116.9 Å²	116.9	64%	0.644	64%	0.638	S	S	*	*			cis	-134	129	-6.4	-2.2	0	0	0	0	105.2
545	S	25.7	Very low	28.8	Very low	96 Å²	96	115.1 Å²	115.1	67%	0.671	63%	0.63	S	S	*	*				67.3	155.9	95	88.6	0	0	0	0	116.5
546	V	28.6	Very low	28.9	Very low	133 Å²	133	112.5 Å²	112.5	81%	0.806	62%	0.617	S	S	*	*			trans	77	129.1	164.7	178.5	0	0	0	0	118.2
547	S	26.1	Very low	28.9	Very low	83 Å²	83	110.9 Å²	110.9	58%	0.58	61%	0.606	S	S	*	*			cis	-171.6	127.6	-40.3	50.9	0	0	0	0	112.7
548	H	29	Very low	29.4	Very low	182 Å²	182	107.3 Å²	107.3	84%	0.843	59%	0.589	S	S	*	*			trans	56.9	-168.5	157.8	-57.9	-47.3	0	0	0	116
549	P	31.4	Very low	30	Very low	109 Å²	109	102.5 Å²	102.5	71%	0.708	57%	0.573	S	S	*	*			cis	-132	164.2	-21.2	16.6	8.7	0	0	0	116.8
550	S	29.9	Very low	30.3	Very low	107 Å²	107	98.7 Å²	98.7	75%	0.748	56%	0.564	S	S	*	*			trans	68.1	114.2	139	-68.2	0	0	0	0	126.1
551	S	31.4	Very low	30.5	Very low	89 Å²	89	96.7 Å²	96.7	62%	0.622	55%	0.548	S	S	*	.				120.8	-145.7	125.8	-50.7	0	0	0	0	124
552	P	35	Very low	30.9	Very low	86 Å²	86	96.2 Å²	96.2	56%	0.558	54%	0.538	S	S	*	.				-140.4	125	-113.3	42.7	-22.4	0	0	0	124	E339	E339-P552 WeakPolarHBondContact OE1-CD 3.43Å; E339-P552 WeakPolarHBondContact OE2-CD 3.46Å
553	L	28.2	Very low	31.5	Very low	78 Å²	78	99.5 Å²	99.5	41%	0.408	55%	0.546	S	S	.	.			trans	58.6	95.1	145.4	-176.9	-117.1	0	0	0	122.8	N293 E339	N293-L553 HydrophobicContact CB-CD2 4.05Å; N293-L553 WeakPolarHBondContact ND2-CD2 2.12Å; N293-L553 VanDerWaalsContact ND2-CG 3.33Å; N293-L553 WeakPolarHBondContact ND2-CG 2.12Å; E339-L553 WeakPolarHBondContact O-CA 3.36Å; E339-L553 PolarHBondContact O-N 2.83Å
554	F	31.4	Very low	31.8	Very low	89 Å²	89	101 Å²	101	39%	0.39	55%	0.55	S	S	.	*			trans	-162.7	-169.1	-178	-156.3	170.6	0	0	0	116.3	E335 N336 Y556	E335-F554 HydrophobicContact CB-CE2 4.34Å; E335-F554 HydrophobicContact CB-CZ 3.95Å; N336-F554 HydrophobicContact CB-CB 3.5Å; N336-F554 VanDerWaalsContact CB-CB 3.5Å; N336-F554 HydrophobicContact CB-CD1 3.44Å; N336-F554 VanDerWaalsContact CB-CD1 3.44Å; N336-F554 HydrophobicContact CB-CD2 2.53Å; N336-F554 HydrophobicContact CB-CE1 3.93Å; N336-F554 HydrophobicContact CB-CE2 3.06Å; N336-F554 HydrophobicContact CB-CG 2.72Å; N336-F554 HydrophobicContact CB-CZ 3.74Å; N336-F554 WeakPolarHBondContact ND2-CD1 3.45Å; N336-F554 WeakPolarHBondContact ND2-CE1 3.17Å; N336-F554 WeakPolarHBondContact ND2-CE2 3.14Å; N336-F554 WeakPolarHBondContact ND2-CG 3.26Å; N336-F554 WeakPolarHBondContact ND2-CZ 3.06Å; N336-F554 CarbonylContact O-C 3.58Å; N336-F554 WeakPolarHBondContact O-CA 3.18Å; N336-F554 WeakPolarHBondContact O-CB 3.29Å; N336-F554 WeakPolarHBondContact OD1-CD1 3.44Å; N336-F554 WeakPolarHBondContact OD1-CD2 3.37Å; N336-F554 WeakPolarHBondContact OD1-CE1 3.41Å; N336-F554 WeakPolarHBondContact OD1-CE2 3.47Å; N336-F554 WeakPolarHBondContact OD1-CG 3.38Å; N336-F554 WeakPolarHBondContact OD1-CZ 3.44Å; F554-Y556 HydrophobicContact CD2-CD2 4.41Å; F554-Y556 HydrophobicContact CE2-CD2 4.2Å; F554-Y556 HydrophobicContact CE2-CE2 4.12Å
555	K	31.3	Very low	32.2	Very low	21 Å²	21	105.9 Å²	105.9	9%	0.091	56%	0.563	C	S	.	*			trans	-155.9	170.3	-168.4	-157.2	-176	-178.6	-172.9	0	119	Y297 S334 N336 Y337	Y297-K555 HydrophobicContact CD1-CD 3.73Å; Y297-K555 HydrophobicContact CD2-CD 4.06Å; Y297-K555 HydrophobicContact CE1-CD 3.44Å; Y297-K555 VanDerWaalsContact CE1-CD 3.44Å; Y297-K555 HydrophobicContact CE2-CB 4.35Å; Y297-K555 HydrophobicContact CE2-CD 3.78Å; Y297-K555 HydrophobicContact CG-CD 4.03Å; Y297-K555 VanDerWaalsContact CZ-CD 3.47Å; S334-K555 CarbonylContact C-O 3.57Å; N336-K555 WeakPolarHBondContact CA-O 3.45Å; N336-K555 WeakPolarHBondContact CB-O 3.27Å; N336-K555 PolarHBondContact N-O 2.88Å; N336-K555 VanDerWaalsContact N-O 3.11Å; N336-K555 PolarHBondContact O-N 2.91Å; Y337-K555 HydrophobicContact CD1-CB 4.44Å; Y337-K555 HydrophobicContact CD1-CG 4.26Å; Y337-K555 HydrophobicContact CE1-CB 4.18Å; Y337-K555 HydrophobicContact CE1-CG 3.53Å; Y337-K555 HydrophobicContact CE2-CG 4.25Å; Y337-K555 WeakPolarHBondContact OH-CG 3.4Å
556	Y	30.7	Very low	32.4	Very low	57 Å²	57	105.6 Å²	105.6	22%	0.224	56%	0.56	C	S	.	*			trans	132.7	0	142.9	-41.7	-77.7	0	0	0	127.9	Y297 F332 N333 S334 Y337 F554	Y297-Y556 HydrophobicContact CE1-CE1 4.05Å; F332-Y556 HydrophobicContact CB-CD1 3.57Å; F332-Y556 HydrophobicContact CB-CE1 3.61Å; F332-Y556 HydrophobicContact CD1-CD1 4.24Å; F332-Y556 AromaticContact CD1-CE1 3.59Å; F332-Y556 HydrophobicContact CD1-CE1 3.59Å; F332-Y556 HydrophobicContact CG-CD1 4.04Å; F332-Y556 AromaticContact CG-CE1 3.84Å; F332-Y556 HydrophobicContact CG-CE1 3.84Å; N333-Y556 VanDerWaalsContact C-CD2 3.46Å; N333-Y556 VanDerWaalsContact C-CG 3.46Å; N333-Y556 VanDerWaalsContact N-CD1 3.3Å; N333-Y556 WeakPolarHBondContact O-CB 3.05Å; N333-Y556 WeakPolarHBondContact O-CD2 3.15Å; N333-Y556 VanDerWaalsContact O-CE2 3.23Å; N333-Y556 WeakPolarHBondContact O-CE2 3.15Å; N333-Y556 VanDerWaalsContact O-CG 3.29Å; S334-Y556 VanDerWaalsContact C-CB 3.4Å; S334-Y556 CarbonylContact O-C 3.18Å; S334-Y556 WeakPolarHBondContact O-CA 3.5Å; S334-Y556 WeakPolarHBondContact O-CB 3.37Å; Y337-Y556 VanDerWaalsContact CE2-O 3.22Å; Y337-Y556 WeakPolarHBondContact CE2-O 3.35Å; F554-Y556 HydrophobicContact CD2-CD2 4.41Å; F554-Y556 HydrophobicContact CE2-CD2 4.2Å; F554-Y556 HydrophobicContact CE2-CE2 4.12Å
557	R	30.5	Very low	32.4	Very low	86 Å²	86	104.9 Å²	104.9	33%	0.325	56%	0.556	S	S	.	*				0	0	0	-70.1	-165.2	92.5	-143.4	-4.9	132.3	Q254 F332 S334	Q254-R557 VanDerWaalsContact CB-O 3.26Å; Q254-R557 WeakPolarHBondContact CB-O 3.4Å; Q254-R557 HydrophobicContact CG-CB 4.16Å; Q254-R557 HydrophobicContact CG-CG 4.22Å; Q254-R557 WeakPolarHBondContact CG-O 3.14Å; Q254-R557 VanDerWaalsContact NE2-NE 3.2Å; F332-R557 HydrophobicContact CB-CG 4.49Å; F332-R557 WeakPolarHBondContact O-CD 3.07Å; S334-R557 VanDerWaalsContact CA-N 3.28Å; S334-R557 PolarHBondContact O-N 2.93Å
558	H	37.8	Very low	32.7	Very low	87 Å²	87	107.6 Å²	107.6	40%	0.403	57%	0.57	S	S	.	*				0	0	0	-105.4	-54.4	0	0	0	124.8	S248 Q254	S248-H558 PolarHBondContact OG-CE1 2.78Å; S248-H558 PolarHBondContact OG-ND1 3.2Å; Q254-H558 PolarHBondContact NE2-CD2 2.91Å; Q254-H558 PolarHBondContact NE2-CE1 3.42Å; Q254-H558 PolarHBondContact NE2-ND1 3.25Å; Q254-H558 VanDerWaalsContact NE2-ND1 3.14Å
559	P	40.6	Very low	32.6	Very low	71 Å²	71	104.1 Å²	104.1	46%	0.461	57%	0.566	S	S	.	*				0	0	0	42	-20.6	0	0	0	116.4	S248 N249 S250 S251	S248-P559 CarbonylContact O-C 3.31Å; S248-P559 VanDerWaalsContact O-CA 3.32Å; S248-P559 WeakPolarHBondContact O-CA 3.4Å; N249-P559 CarbonylContact O-C 3.21Å; N249-P559 VanDerWaalsContact O-O 3.09Å; S250-P559 CarbonylContact C-O 2.98Å; S250-P559 PolarHBondContact OG-O 2.91Å; S251-P559 VanDerWaalsContact N-C 3.31Å; S251-P559 PolarHBondContact N-O 3.09Å; S251-P559 VanDerWaalsContact N-O 3.09Å
560	M	35.4	Very low	32.9	Very low	132 Å²	132	103.3 Å²	103.3	65%	0.65	56%	0.561	S	S	*	*				0	160.4	0	-127.9	-43.7	-161.1	0	0	118.2	E247 S248 N249	E247-M560 HydrophobicContact CB-SD 4.36Å; S248-M560 VanDerWaalsContact CA-CA 3.41Å; S248-M560 CarbonylContact O-C 3.46Å; S248-M560 WeakPolarHBondContact O-CA 3.04Å; S248-M560 PolarHBondContact O-N 3.13Å; N249-M560 CarbonylContact C-O 3.28Å; N249-M560 VanDerWaalsContact C-O 3.28Å; N249-M560 PolarHBondContact N-O 3.44Å; N249-M560 CarbonylContact O-C 3.54Å; N249-M560 WeakPolarHBondContact O-CA 3.04Å; N249-M560 PolarHBondContact O-N 3.5Å
561	D	33.4	Very low	33	Very low	62 Å²	62	106.4 Å²	106.4	33%	0.332	56%	0.563	S	S	.	*			trans	-120	-174.6	-148.8	-137.2	84.9	0	0	0	125	E247 S248 N249	E247-D561 HydrophobicContact CB-CB 3.41Å; E247-D561 VanDerWaalsContact CB-CB 3.41Å; E247-D561 HydrophobicContact CG-CB 3.56Å; S248-D561 WeakPolarHBondContact CA-OD1 3.37Å; S248-D561 PolarHBondContact N-OD1 2.86Å; N249-D561 WeakPolarHBondContact CB-OD1 2.79Å; N249-D561 PolarHBondContact N-OD1 3.47Å; N249-D561 PolarHBondContact ND2-OD1 3.14Å; N249-D561 VanDerWaalsContact ND2-OD1 3.09Å; N249-D561 PolarHBondContact OD1-OD1 3.42Å
562	D	33.9	Very low	33	Very low	87 Å²	87	106.8 Å²	106.8	47%	0.465	57%	0.565	S	S	.	*				136.2	150.5	127.9	-143.2	-4.8	0	0	0	122.9	K246 E247	K246-D562 IonicContact NZ-OD2 2.71Å; E247-D562 HydrophobicContact CG-CB 4.42Å
563	H	39.1	Very low	33	Very low	169 Å²	169	107.7 Å²	107.7	78%	0.782	57%	0.574	S	S	*	*			trans	89.9	165.5	156.9	-80.1	17.9	0	0	0	126
564	K	31.7	Very low	33.1	Very low	193 Å²	193	111.2 Å²	111.2	84%	0.839	59%	0.593	S	S	*	*			trans	-157.8	148.2	-140.2	-179.7	-172	-173.1	-177.8	0	116.2
565	F	34.4	Very low	33.1	Very low	207 Å²	207	113.8 Å²	113.8	91%	0.908	61%	0.61	S	S	*	*			trans	-175.4	178.2	143.4	-111.1	-72.9	0	0	0	114.7
566	S	29.5	Very low	33.1	Very low	89 Å²	89	117.1 Å²	117.1	62%	0.622	64%	0.635	S	S	*	*			trans	-112.3	165.8	-164.9	50.7	0	0	0	0	114.7
567	T	29.6	Very low	33	Very low	118 Å²	118	119.4 Å²	119.4	72%	0.724	66%	0.66	S	S	*	*				-177.9	170.9	74.4	38.7	0	0	0	0	114.3
568	T	32.1	Very low	32.9	Very low	140 Å²	140	122.8 Å²	122.8	86%	0.859	68%	0.683	S	S	*	*			trans	73.2	151.2	151.7	36.2	0	0	0	0	123.9
569	S	28.1	Very low	32.4	Very low	110 Å²	110	126.3 Å²	126.3	77%	0.769	70%	0.699	S	S	*	*			trans	-152.3	-167.9	-179	-149.9	0	0	0	0	106
570	P	36.5	Very low	31.9	Very low	91 Å²	91	129.6 Å²	129.6	59%	0.591	71%	0.711	S	S	*	*			cis	-138	-153.9	-5.7	34.2	-8.9	0	0	0	113.9
571	H	33.1	Very low	31.6	Very low	173 Å²	173	129.1 Å²	129.1	80%	0.801	72%	0.716	S	S	*	*			trans	80.9	152.3	168	-53.9	-66.2	0	0	0	118.4
572	S	30.2	Very low	31.4	Very low	96 Å²	96	132.4 Å²	132.4	67%	0.671	74%	0.741	S	S	*	*			cis	-170.2	175.6	-29.2	62.4	0	0	0	0	110.2
573	S	35	Very low	31	Very low	106 Å²	106	135 Å²	135	74%	0.741	75%	0.75	S	S	*	*			trans	74.6	154.4	168.6	83.3	0	0	0	0	118.1
574	L	31.4	Very low	30.4	Very low	152 Å²	152	134.3 Å²	134.3	80%	0.796	75%	0.745	S	S	*	*			cis	-160.5	164.6	-25.1	-107.1	177	0	0	0	109.6
575	L	31.3	Very low	30.2	Very low	143 Å²	143	130.1 Å²	130.1	75%	0.749	74%	0.738	S	S	*	*			trans	59	99.3	161.7	-93.9	71.2	0	0	0	121.7
576	S	31.4	Very low	29.8	Very low	90 Å²	90	128.4 Å²	128.4	63%	0.629	73%	0.731	S	S	*	*				52.9	111.2	119.1	65.8	0	0	0	0	123
577	S	28.9	Very low	29.8	Very low	106 Å²	106	131.7 Å²	131.7	74%	0.741	74%	0.736	S	S	*	*				71.2	100	116.2	-54.8	0	0	0	0	121.4
578	I	27.7	Very low	29.7	Very low	156 Å²	156	130.6 Å²	130.6	80%	0.8	73%	0.729	S	S	*	*				155.9	144	110.3	-83	152.4	0	0	0	114.5
579	H	28.1	Very low	29.6	Very low	162 Å²	162	129 Å²	129	75%	0.75	72%	0.719	S	S	*	*			trans	63	79.9	166.1	-86.8	-63.2	0	0	0	122.7
580	I	28.6	Very low	29.6	Very low	139 Å²	139	130 Å²	130	71%	0.713	72%	0.715	S	S	*	*				48.2	88.7	117.1	-53.7	175.8	0	0	0	118.3
581	T	29.4	Very low	29.3	Very low	122 Å²	122	132.9 Å²	132.9	75%	0.748	72%	0.724	S	S	*	*			trans	36.2	122.6	132.9	61.4	0	0	0	0	122
582	P	28.7	Very low	29	Very low	131 Å²	131	129.9 Å²	129.9	85%	0.851	72%	0.718	S	S	*	*			trans	-89.5	-174	165.8	39.1	-36.4	0	0	0	113.7
583	E	25.8	Very low	28.9	Very low	141 Å²	141	129.8 Å²	129.8	66%	0.659	72%	0.717	S	S	*	*			trans	-72.5	174.5	172.2	-59.4	-163	103.7	0	0	114.4
584	K	27.5	Very low	28.9	Very low	156 Å²	156	130.9 Å²	130.9	68%	0.678	72%	0.72	S	S	*	*			trans	25.7	136.3	143.6	-58.8	153.3	-170.2	155.6	0	118.5
585	C	26.3	Very low	28.9	Very low	104 Å²	104	129.3 Å²	129.3	70%	0.703	72%	0.716	S	S	*	*				178.9	129	105	-92.5	0	0	0	0	114.8
586	F	26.8	Very low	29	Very low	172 Å²	172	128.1 Å²	128.1	75%	0.754	72%	0.717	S	S	*	*			trans	56.8	178.9	145.7	-68.8	-115.4	0	0	0	116.5
587	H	29	Very low	29.1	Very low	158 Å²	158	130.2 Å²	130.2	73%	0.731	72%	0.72	S	S	*	*			cis	-106.1	152.8	-14.7	-99.1	-95	0	0	0	108.6
588	T	27.6	Very low	29.3	Very low	94 Å²	94	131.7 Å²	131.7	58%	0.577	72%	0.724	S	S	*	*				56.3	130.9	74.5	-23.1	0	0	0	0	110.6
589	T	30	Very low	29.4	Very low	106 Å²	106	130 Å²	130	65%	0.65	72%	0.721	S	S	*	*				-164.7	135.6	56.1	-59.1	0	0	0	0	112.1
590	I	28.1	Very low	29.7	Very low	131 Å²	131	130 Å²	130	67%	0.672	73%	0.725	S	S	*	*			trans	22.2	132	139.1	-33.7	163.1	0	0	0	116.2	T592	I590-T592 HydrophobicContact CG2-CG2 4.36Å
591	I	29.9	Very low	29.9	Very low	152 Å²	152	129.9 Å²	129.9	78%	0.779	73%	0.725	S	S	*	*				-159.2	122.7	84.3	-84.2	160.7	0	0	0	112.7
592	T	26.7	Very low	30	Very low	110 Å²	110	129.3 Å²	129.3	68%	0.675	72%	0.721	S	S	*	*			trans	8.5	153.9	143.7	75.9	0	0	0	0	120.6	I590	I590-T592 HydrophobicContact CG2-CG2 4.36Å
593	S	28.6	Very low	30.3	Very low	94 Å²	94	129.1 Å²	129.1	66%	0.657	72%	0.718	S	S	*	*			cis	-170.2	154	46.9	46.7	0	0	0	0	116.9
594	T	34.4	Very low	30.5	Very low	130 Å²	130	129.2 Å²	129.2	80%	0.798	72%	0.723	S	S	*	*			trans	57.8	108	144.7	50.3	0	0	0	0	123.4
595	T	33.1	Very low	30.9	Very low	119 Å²	119	127.5 Å²	127.5	73%	0.73	73%	0.73	S	S	*	*			trans	-62.3	171.4	137.1	55.1	0	0	0	0	111.4
596	P	33.5	Very low	31.3	Very low	117 Å²	117	132.1 Å²	132.1	76%	0.76	74%	0.739	S	S	*	*				-134.5	171.2	57.6	17.3	10	0	0	0	114.1
597	I	31.7	Very low	31.7	Very low	135 Å²	135	132 Å²	132	69%	0.692	74%	0.744	S	S	*	*			cis	80.2	107.4	42.6	-51.1	165.9	0	0	0	116.4
598	T	33.7	Very low	31.6	Very low	136 Å²	136	128.4 Å²	128.4	83%	0.834	74%	0.737	S	S	*	*			trans	-157.4	135.2	146.7	48.9	0	0	0	0	107.5
599	T	30.4	Very low	31.7	Very low	120 Å²	120	131.1 Å²	131.1	74%	0.736	74%	0.743	S	S	*	*			cis	85.6	114.7	10.6	-42.8	0	0	0	0	116.2
600	I	33	Very low	31.9	Very low	162 Å²	162	133.3 Å²	133.3	83%	0.831	75%	0.746	S	S	*	*			trans	-155.3	-149.2	166.2	-146.9	165.6	0	0	0	113.5
601	I	32.8	Very low	31.9	Very low	137 Å²	137	132 Å²	132	70%	0.703	74%	0.744	S	S	*	*			trans	-121.6	144.9	-153.8	-74.5	166.8	0	0	0	111.1
602	T	31.4	Very low	31.9	Very low	110 Å²	110	131.4 Å²	131.4	68%	0.675	74%	0.743	S	S	*	*			cis	86.1	113.5	23.3	67.7	0	0	0	0	119.6
603	T	35.5	Very low	31.9	Very low	127 Å²	127	131 Å²	131	78%	0.779	74%	0.74	S	S	*	*			trans	-163.9	128.6	148.6	38.4	0	0	0	0	108.8
604	N	31.1	Very low	32.1	Very low	144 Å²	144	134.6 Å²	134.6	77%	0.77	75%	0.746	S	S	*	*				70.6	135.8	63.4	-61	-26.1	0	0	0	112.5
605	S	36.2	Very low	32	Very low	119 Å²	119	136.4 Å²	136.4	83%	0.832	75%	0.745	S	S	*	*			cis	-153.8	178.9	34	-63.1	0	0	0	0	116.2
606	K	34.7	Very low	31.9	Very low	201 Å²	201	134.4 Å²	134.4	87%	0.874	74%	0.736	S	S	*	*			trans	-58	169.6	176.5	-51.7	167.2	-178.4	175.2	0	114.3
607	I	34	Very low	32	Very low	170 Å²	170	136.5 Å²	136.5	87%	0.872	74%	0.736	S	S	*	*				-161.3	165.1	79.9	-85	166.7	0	0	0	111.6
608	S	27.6	Very low	32	Very low	82 Å²	82	137.8 Å²	137.8	57%	0.573	74%	0.743	S	S	*	*			trans	-118.6	169.3	-172.7	-174.4	0	0	0	0	112.8
609	E	29.9	Very low	32	Very low	152 Å²	152	135.8 Å²	135.8	71%	0.71	73%	0.733	S	S	*	*			trans	69.4	160	160.2	-75.3	147.1	-103.8	0	0	118.6
610	Q	33.7	Very low	31.8	Very low	151 Å²	151	139.1 Å²	139.1	71%	0.706	74%	0.737	S	S	*	*			cis	-151.4	136.3	7.4	-133.6	159.8	64.2	0	0	113
611	T	27	Very low	31.5	Very low	104 Å²	104	136.5 Å²	136.5	64%	0.638	73%	0.729	S	S	*	*			trans	33.9	145.5	142.2	60.6	0	0	0	0	125.7
612	N	30.3	Very low	31.2	Very low	140 Å²	140	137.1 Å²	137.1	75%	0.749	73%	0.732	S	S	*	*			trans	76.2	150.8	146.8	-62.3	-12.2	0	0	0	119.6
613	T	27.2	Very low	31.1	Very low	102 Å²	102	137.7 Å²	137.7	63%	0.626	74%	0.736	S	S	*	*			cis	-167.4	160.7	-21.6	27.7	0	0	0	0	109.4
614	H	32.4	Very low	30.7	Very low	169 Å²	169	135.8 Å²	135.8	78%	0.782	73%	0.727	S	S	*	*			trans	68.3	159	169.3	-58.9	-69.5	0	0	0	115.7
615	Q	33.8	Very low	30.8	Very low	167 Å²	167	136.7 Å²	136.7	78%	0.78	73%	0.731	S	S	*	*			cis	-151.3	141	2.3	-137.8	167.7	-31.3	0	0	112.9
616	S	30.5	Very low	30.4	Very low	77 Å²	77	136.1 Å²	136.1	54%	0.538	73%	0.727	S	S	.	*			trans	23.9	131.2	147	60.5	0	0	0	0	124.2
617	H	35.1	Very low	30.5	Very low	162 Å²	162	130.7 Å²	130.7	75%	0.75	71%	0.712	S	S	*	*				145.5	99.1	121.8	-80.6	-67	0	0	0	117.1
618	L	31.1	Very low	30.4	Very low	162 Å²	162	127.8 Å²	127.8	85%	0.848	70%	0.702	S	S	*	*			trans	45	159.9	135	-74.5	113.5	0	0	0	124.5
619	P	35.2	Very low	30.7	Very low	94 Å²	94	129 Å²	129	61%	0.61	70%	0.699	S	S	*	*			trans	-130	-166.9	-158.2	35.5	-12.9	0	0	0	115.9
620	F	26.4	Very low	30.7	Very low	190 Å²	190	128.7 Å²	128.7	83%	0.833	70%	0.7	S	S	*	*			trans	72.9	163.2	176.2	-62.3	-77.6	0	0	0	115.1
621	T	26.5	Very low	30.6	Very low	107 Å²	107	126.6 Å²	126.6	66%	0.656	69%	0.694	S	S	*	*			cis	-159.1	157.4	8.1	-13.7	0	0	0	0	110.6
622	I	26.4	Very low	30.6	Very low	150 Å²	150	126.4 Å²	126.4	77%	0.769	69%	0.693	S	S	*	*			trans	65.7	166.4	154.8	-72.5	161.5	0	0	0	113.6
623	T	28.7	Very low	30.8	Very low	122 Å²	122	125.3 Å²	125.3	75%	0.748	69%	0.693	S	S	*	*			cis	-145	171.6	6.2	6	0	0	0	0	106.6
624	S	28	Very low	30.8	Very low	87 Å²	87	126.9 Å²	126.9	61%	0.608	70%	0.698	S	S	*	*			cis	180	-170.2	-35.6	62.1	0	0	0	0	109
625	I	32.2	Very low	30.5	Very low	163 Å²	163	123.8 Å²	123.8	84%	0.836	69%	0.691	S	S	*	*			trans	75.2	149.7	165.1	-63.1	156.4	0	0	0	116.6
626	S	26.9	Very low	30.1	Very low	107 Å²	107	122.5 Å²	122.5	75%	0.748	69%	0.689	S	S	*	*			trans	-155.8	-130.7	-149.1	42.9	0	0	0	0	115.5
627	P	37.7	Very low	29.9	Very low	86 Å²	86	126.2 Å²	126.2	56%	0.558	70%	0.698	S	S	*	*				-125.1	-169	-115	41.3	-22.7	0	0	0	115.6
628	T	32.9	Very low	29.4	Very low	110 Å²	110	124.8 Å²	124.8	68%	0.675	69%	0.694	S	S	*	*			trans	-135.3	-166.5	-175.2	56.8	0	0	0	0	114	N671	T628-N671 PolarHBondContact O-ND2 2.95Å; T628-N671 VanDerWaalsContact O-ND2 3.12Å
629	Q	32.6	Very low	29.1	Very low	107 Å²	107	121.4 Å²	121.4	50%	0.5	69%	0.685	S	S	.	*			trans	-75.8	-177.7	-177.4	-64.4	-68.8	2.8	0	0	112.9	N671	Q629-N671 WeakPolarHBondContact CA-ND2 3.47Å; Q629-N671 PolarHBondContact OE1-ND2 3.29Å
630	I	30.9	Very low	28.5	Very low	145 Å²	145	125 Å²	125	74%	0.744	70%	0.695	S	S	*	*			cis	-145.3	-171	11.2	-155.1	156	0	0	0	112.1
631	N	30.4	Very low	28.5	Very low	107 Å²	107	125.5 Å²	125.5	57%	0.572	70%	0.698	S	S	*	*			trans	-103	152.3	-159.6	-69.1	-36.2	0	0	0	117.7	C669	N631-C669 PolarHBondContact OD1-SG 3.46Å
632	T	28.5	Very low	28.4	Very low	100 Å²	100	126.8 Å²	126.8	61%	0.613	70%	0.7	S	S	*	*			trans	-67.2	178.5	153.7	48.6	0	0	0	0	111.9
633	P	33.5	Very low	28.3	Very low	117 Å²	117	123.9 Å²	123.9	76%	0.76	69%	0.686	S	S	*	*			cis	-152.1	162.2	28.9	43.3	-20.8	0	0	0	122.4
634	N	28.2	Very low	28.1	Very low	136 Å²	136	122.6 Å²	122.6	73%	0.727	68%	0.675	S	S	*	*			trans	-3	142.6	136.5	-172.7	31.5	0	0	0	120.4
635	V	26.2	Very low	28.1	Very low	104 Å²	104	125 Å²	125	63%	0.63	68%	0.681	S	S	*	*				167.4	148.5	122.8	152.4	0	0	0	0	112.1
636	N	24.8	Very low	27.9	Very low	139 Å²	139	119.5 Å²	119.5	74%	0.743	65%	0.653	S	S	*	*			trans	70.8	155	170.7	-75.7	-21.8	0	0	0	116.5
637	Q	25.9	Very low	27.9	Very low	155 Å²	155	118.4 Å²	118.4	72%	0.724	65%	0.645	S	S	*	*			cis	-156.8	173.8	16.1	-137	167.8	20.8	0	0	112.4
638	I	25.7	Very low	27.4	Very low	132 Å²	132	117.7 Å²	117.7	68%	0.677	64%	0.637	S	S	*	*			trans	61.3	90.5	149.3	-74.9	154.7	0	0	0	119.3
639	S	23.7	Very low	27.5	Very low	92 Å²	92	119.3 Å²	119.3	64%	0.643	64%	0.642	S	S	*	*				32.3	116.3	112.6	65.3	0	0	0	0	122.3
640	M	23.1	Very low	27.4	Very low	169 Å²	169	119.6 Å²	119.6	83%	0.833	65%	0.646	S	S	*	*				40.3	111.6	124.2	-58.4	-178.4	70.5	0	0	120.6
641	F	25.1	Very low	27.3	Very low	201 Å²	201	119 Å²	119	88%	0.882	65%	0.645	S	S	*	*				-173.8	103.3	124.5	-90.9	-68.1	0	0	0	106.8
642	N	25.5	Very low	27.1	Very low	134 Å²	134	121.5 Å²	121.5	72%	0.717	66%	0.657	S	S	*	*				75.1	105.5	62.5	-171.3	37	0	0	0	114.7
643	D	24.4	Very low	27.1	Very low	88 Å²	88	122.2 Å²	122.2	47%	0.471	66%	0.661	S	S	.	*			trans	-168.1	143.6	136.7	-116.4	11.5	0	0	0	113.7	K24	K24-D643 IonicContact NZ-OD1 2.75Å; K24-D643 PolarHBondContact NZ-OD1 2.97Å; K24-D643 IonicContact NZ-OD2 2.77Å; K24-D643 PolarHBondContact NZ-OD2 2.86Å
644	N	24.9	Very low	26.7	Very low	96 Å²	96	126.2 Å²	126.2	51%	0.513	67%	0.67	S	S	.	*			trans	64.1	103.4	152.8	-52.8	-39.3	0	0	0	122
645	N	27.6	Very low	26.6	Very low	136 Å²	136	124.1 Å²	124.1	73%	0.727	67%	0.666	S	S	*	*				174.1	109.7	91	-87.4	-54.9	0	0	0	115.6
646	N	27.1	Very low	26.5	Very low	49 Å²	49	128.1 Å²	128.1	26%	0.262	67%	0.671	S	S	.	*			trans	60	125.6	140.6	-50	-48.4	0	0	0	123.2	I176 D177 R178	I176-N646 VanDerWaalsContact CB-OD1 3.28Å; I176-N646 WeakPolarHBondContact CB-OD1 3.49Å; I176-N646 WeakPolarHBondContact CG2-OD1 3.37Å; D177-N646 PolarHBondContact N-OD1 3.13Å; D177-N646 PolarHBondContact O-ND2 2.98Å; R178-N646 WeakPolarHBondContact O-CB 3.36Å; R178-N646 PolarHBondContact O-ND2 3.24Å; R178-N646 VanDerWaalsContact O-ND2 3.13Å
647	S	27.2	Very low	26.5	Very low	83 Å²	83	126.8 Å²	126.8	58%	0.58	67%	0.671	S	S	*	*			trans	-112.3	151.4	165	58.9	0	0	0	0	111.3
648	N	27	Very low	26.4	Very low	72 Å²	72	125.9 Å²	125.9	39%	0.385	67%	0.672	S	S	.	*			trans	-163.8	79.8	146.6	-136.1	-4.6	0	0	0	112.2
649	D	34.9	Very low	26.4	Very low	144 Å²	144	127 Å²	127	77%	0.77	68%	0.678	S	S	*	*			trans	-148.4	164.3	157.8	-131.4	-25.7	0	0	0	112
650	N	31.2	Very low	26.5	Very low	112 Å²	112	129.3 Å²	129.3	60%	0.599	68%	0.679	S	S	*	*			trans	-103.8	147.9	-141.9	-68.7	-94.8	0	0	0	117.4
651	N	28.3	Very low	26.7	Very low	134 Å²	134	129.5 Å²	129.5	72%	0.717	68%	0.675	S	S	*	*			trans	73.2	114.3	144.5	-70.1	-15.1	0	0	0	122.4
652	L	26	Very low	26.6	Very low	158 Å²	158	127.6 Å²	127.6	83%	0.827	67%	0.671	S	S	*	*				104.2	140.7	125.6	-129	74.1	0	0	0	119.9
653	V	27.9	Very low	26.7	Very low	115 Å²	115	126.5 Å²	126.5	70%	0.697	67%	0.665	S	S	*	*			trans	64.5	91.1	171.2	-165.6	0	0	0	0	116.1	S655	V653-S655 PolarHBondContact O-N 2.94Å
654	Q	26.2	Very low	26.9	Very low	201 Å²	201	128.9 Å²	128.9	94%	0.939	68%	0.676	S	S	*	*			trans	-72.5	97.3	155.7	-168.9	82.7	2.5	0	0	108.3
655	S	25	Very low	27.1	Very low	93 Å²	93	131.8 Å²	131.8	65%	0.65	69%	0.692	S	S	*	*			trans	-152.6	83.1	168.6	-168.1	0	0	0	0	109.9	V653	V653-S655 PolarHBondContact O-N 2.94Å
656	Y	25.2	Very low	27.2	Very low	188 Å²	188	132.3 Å²	132.3	74%	0.737	70%	0.695	S	S	*	*			trans	-137.9	80.7	165	-96.9	-80	0	0	0	107.2
657	C	25.5	Very low	27.1	Very low	111 Å²	111	141 Å²	141	75%	0.75	73%	0.725	S	S	*	*			trans	-100.9	111.9	141.2	-78.1	0	0	0	0	105.4
658	D	23.6	Very low	27.2	Very low	136 Å²	136	144.6 Å²	144.6	73%	0.727	73%	0.733	S	S	*	*			trans	56.1	159	134.1	-46.1	-54.4	0	0	0	120.7
659	L	25.3	Very low	27.2	Very low	156 Å²	156	144.7 Å²	144.7	82%	0.817	74%	0.739	S	S	*	*			trans	69.7	120.5	-165.7	-49.4	169.1	0	0	0	113.1
660	Q	25.4	Very low	27	Very low	140 Å²	140	143.1 Å²	143.1	65%	0.654	73%	0.725	S	S	*	*			cis	-139.9	169.3	-9.7	-72.6	124.2	-7.2	0	0	106
661	F	27.1	Very low	26.9	Very low	173 Å²	173	141.3 Å²	141.3	76%	0.759	72%	0.715	S	S	*	*			cis	-147.9	173.8	31.4	-82.3	-87.8	0	0	0	111.4
662	M	24.2	Very low	26.9	Very low	160 Å²	160	139 Å²	139	79%	0.788	71%	0.71	S	S	*	*			trans	-80	131.7	173.7	-70.5	176.1	159	0	0	112.4	I664	M662-I664 HydrophobicContact CB-CG1 4.3Å; M662-I664 HydrophobicContact SD-CD1 3.96Å
663	D	27.6	Very low	27	Very low	112 Å²	112	136.1 Å²	136.1	60%	0.599	70%	0.703	S	S	*	*			trans	-94.1	108.2	152.3	-65.4	-44	0	0	0	107.3	R732	D663-R732 WeakPolarHBondContact OD2-CD 3.08Å; D663-R732 IonicContact OD2-CZ 2.65Å; D663-R732 IonicContact OD2-NE 3.56Å; D663-R732 IonicContact OD2-NH1 2.77Å; D663-R732 PolarHBondContact OD2-NH1 3.14Å
664	I	28.6	Very low	27	Very low	137 Å²	137	137.9 Å²	137.9	70%	0.703	71%	0.708	S	S	*	*			trans	-113.1	105.3	167.5	-64	174.9	0	0	0	107.5	M662	M662-I664 HydrophobicContact CB-CG1 4.3Å; M662-I664 HydrophobicContact SD-CD1 3.96Å
665	D	28.4	Very low	26.9	Very low	158 Å²	158	133.6 Å²	133.6	85%	0.845	70%	0.699	S	S	*	*			trans	-164.4	84.4	159.7	-108.9	-28.2	0	0	0	110.7
666	N	28.8	Very low	27	Very low	147 Å²	147	138.2 Å²	138.2	79%	0.786	71%	0.708	S	S	*	*			trans	-174	109.1	149.6	-111.5	-49.3	0	0	0	112.3
667	Y	26.1	Very low	27.1	Very low	230 Å²	230	137.5 Å²	137.5	90%	0.902	71%	0.711	S	S	*	*			trans	-154.6	121.8	144.9	-117.1	-77	0	0	0	109.5
668	Q	27.7	Very low	27.1	Very low	159 Å²	159	137.9 Å²	137.9	74%	0.743	71%	0.71	S	S	*	*			trans	-125.5	133.9	164.8	-67	-170	21	0	0	108.9
669	C	27.4	Very low	27.2	Very low	74 Å²	74	137.6 Å²	137.6	50%	0.5	71%	0.713	S	S	.	*				-157	169.6	126.9	-150.2	0	0	0	0	109.9	N631	N631-C669 PolarHBondContact OD1-SG 3.46Å
670	K	30.4	Very low	27.3	Very low	111 Å²	111	134.5 Å²	134.5	48%	0.483	70%	0.704	S	S	.	*			trans	-123	136.2	-177.1	-52	166.4	-175.2	163.2	0	109.7
671	N	30.8	Very low	27.4	Very low	75 Å²	75	135.6 Å²	135.6	40%	0.401	72%	0.715	S	S	.	*				157.8	141.7	108.3	-84	-46.6	0	0	0	115.4	T628 Q629	T628-N671 PolarHBondContact O-ND2 2.95Å; T628-N671 VanDerWaalsContact O-ND2 3.12Å; Q629-N671 WeakPolarHBondContact CA-ND2 3.47Å; Q629-N671 PolarHBondContact OE1-ND2 3.29Å
672	S	27.7	Very low	27.4	Very low	86 Å²	86	130.8 Å²	130.8	60%	0.601	71%	0.714	S	S	*	*			trans	44.4	110.7	144.5	67.2	0	0	0	0	122.2
673	S	27.8	Very low	27.7	Very low	97 Å²	97	129 Å²	129	68%	0.678	71%	0.712	S	S	*	*				52.7	104.1	129.1	63.9	0	0	0	0	120.8
674	N	27.4	Very low	27.7	Very low	152 Å²	152	130.4 Å²	130.4	81%	0.813	72%	0.72	S	S	*	*				-174.9	162.6	94.3	-92.8	-29	0	0	0	112.3
675	C	25.1	Very low	27.6	Very low	111 Å²	111	131.9 Å²	131.9	75%	0.75	73%	0.729	S	S	*	*			trans	39.3	121.6	171.1	-65.8	0	0	0	0	119.4
676	K	26.2	Very low	27.4	Very low	189 Å²	189	129.6 Å²	129.6	82%	0.822	72%	0.724	S	S	*	*				60.7	138.9	61.6	-72.5	-168.9	172	-178.4	0	114.7
677	Q	28.2	Very low	27.4	Very low	174 Å²	174	128.8 Å²	128.8	81%	0.813	73%	0.725	S	S	*	*			trans	70.8	134.9	166.5	-70.8	166.9	-23.5	0	0	115.6
678	T	25.1	Very low	27.3	Very low	119 Å²	119	123.1 Å²	123.1	73%	0.73	71%	0.714	S	S	*	*			cis	-161.8	159.3	-16.7	2.1	0	0	0	0	109.4
679	V	25.9	Very low	27.2	Very low	129 Å²	129	123.9 Å²	123.9	78%	0.782	72%	0.715	S	S	*	*			trans	28.2	124.7	137.8	179.9	0	0	0	0	116.9
680	S	27.2	Very low	27.1	Very low	91 Å²	91	126.4 Å²	126.4	64%	0.636	72%	0.724	S	S	*	*			cis	-166.8	158.3	38.3	18.7	0	0	0	0	114.4
681	N	26.9	Very low	26.7	Very low	163 Å²	163	125.8 Å²	125.8	87%	0.872	73%	0.729	S	S	*	*			trans	50.5	117.7	142.4	-52.3	-4.5	0	0	0	120.2
682	G	28.5	Very low	26.4	Very low	72 Å²	72	131.3 Å²	131.3	74%	0.742	75%	0.75	S	S	*	*			trans	-177.6	38.8	174.8	0	0	0	0	0	117.8
683	T	29.4	Very low	26.2	Very low	123 Å²	123	132.2 Å²	132.2	76%	0.755	76%	0.757	S	S	*	*			trans	43.9	104.9	165.2	54.4	0	0	0	0	119.6
684	D	27.1	Very low	26.1	Very low	141 Å²	141	132.5 Å²	132.5	75%	0.754	76%	0.759	S	S	*	*				63.8	86.2	126.3	-45.5	-32.2	0	0	0	120.1
685	N	26.8	Very low	26.1	Very low	168 Å²	168	133.6 Å²	133.6	90%	0.898	76%	0.763	S	S	*	*				-158.1	135.1	106.7	-104.8	-57.1	0	0	0	114.2
686	C	24.9	Very low	26	Very low	111 Å²	111	132.8 Å²	132.8	75%	0.75	76%	0.756	S	S	*	*			trans	-73	158.7	167.3	-74.5	0	0	0	0	110.6
687	T	28.9	Very low	25.9	Very low	130 Å²	130	129.6 Å²	129.6	80%	0.798	75%	0.753	S	S	*	*			cis	-153.3	133.2	4.2	-0.3	0	0	0	0	109.3
688	T	24.9	Very low	25.8	Very low	110 Å²	110	128.4 Å²	128.4	68%	0.675	75%	0.751	S	S	*	*			trans	-79.5	179.9	147.4	38.4	0	0	0	0	109.5
689	F	24.8	Very low	25.8	Very low	175 Å²	175	130.4 Å²	130.4	77%	0.768	76%	0.757	S	S	*	*			trans	70.9	147.7	173	-65.1	-90.1	0	0	0	116.2
690	N	24.7	Very low	25.9	Very low	127 Å²	127	128.4 Å²	128.4	68%	0.679	75%	0.749	S	S	*	*			cis	-161.4	-171.6	-29.6	-133	19.9	0	0	0	111.7
691	T	22.9	Very low	25.9	Very low	98 Å²	98	130.8 Å²	130.8	60%	0.601	76%	0.755	S	S	*	*			trans	-38	151.1	156.1	52.9	0	0	0	0	115.8
692	F	23.5	Very low	26.1	Very low	191 Å²	191	131.9 Å²	131.9	84%	0.838	75%	0.752	S	S	*	*			trans	62.5	119.1	175.5	-53.3	-83	0	0	0	114.5
693	S	24	Very low	26.1	Very low	105 Å²	105	136.8 Å²	136.8	73%	0.734	76%	0.755	S	S	*	*				-166.5	171.1	53.7	-60.1	0	0	0	0	112.6
694	S	25.6	Very low	26.1	Very low	104 Å²	104	136 Å²	136	73%	0.727	76%	0.755	S	S	*	*			trans	69.5	64.7	151.9	-54.3	0	0	0	0	120.1
695	I	26.6	Very low	26.1	Very low	174 Å²	174	135.9 Å²	135.9	89%	0.892	75%	0.754	S	S	*	*			trans	-131.5	78	133.2	-50.8	-178.8	0	0	0	110.8
696	P	23.3	Very low	26.1	Very low	94 Å²	94	133 Å²	133	61%	0.61	74%	0.742	S	S	*	*			trans	-66.9	154.1	145.2	35.1	-36	0	0	0	108.8
697	T	25.7	Very low	26.2	Very low	123 Å²	123	133.3 Å²	133.3	76%	0.755	74%	0.741	S	S	*	*			cis	-159.2	-177.3	3.3	2.7	0	0	0	0	109.3	N699	T697-N699 PolarHBondContact O-N 3.44Å
698	L	25.1	Very low	26	Very low	148 Å²	148	131 Å²	131	78%	0.775	73%	0.73	S	S	*	*			trans	-38.2	124	152.3	-70.2	64.4	0	0	0	110.5	S700	L698-S700 VanDerWaalsContact C-N 3.29Å; L698-S700 PolarHBondContact O-N 3.3Å
699	N	25.9	Very low	26.1	Very low	161 Å²	161	128.6 Å²	128.6	86%	0.861	72%	0.716	S	S	*	*			trans	-97.3	61	163.2	-158.2	-7	0	0	0	110.5	T697	T697-N699 PolarHBondContact O-N 3.44Å
700	S	27.2	Very low	26.1	Very low	88 Å²	88	124.8 Å²	124.8	62%	0.615	71%	0.707	S	S	*	*			trans	-101.4	92.6	170.6	-67.5	0	0	0	0	109.2	L698	L698-S700 VanDerWaalsContact C-N 3.29Å; L698-S700 PolarHBondContact O-N 3.3Å
701	N	28	Very low	26.3	Very low	140 Å²	140	121.5 Å²	121.5	75%	0.749	69%	0.691	S	S	*	*			trans	61.7	104.3	161.6	-52.2	-38	0	0	0	117.7
702	K	30.9	Very low	26.4	Very low	186 Å²	186	122.7 Å²	122.7	81%	0.809	70%	0.699	S	S	*	*				-174.1	133.9	93.6	-95.9	163.6	-176.2	178.7	0	112.8
703	H	28.6	Very low	26.5	Very low	175 Å²	175	119.6 Å²	119.6	81%	0.81	70%	0.696	S	S	*	*			trans	8.6	125.5	166.1	-51.9	-76.2	0	0	0	118.1
704	S	28.5	Very low	26.6	Very low	107 Å²	107	120 Å²	120	75%	0.748	69%	0.694	S	S	*	*			cis	-150.7	179.6	46.1	-50.7	0	0	0	0	111.8
705	N	27.6	Very low	26.8	Very low	138 Å²	138	120.9 Å²	120.9	74%	0.738	70%	0.695	S	S	*	*			cis	-154.1	-179.2	10.9	-149.6	5.3	0	0	0	114.5
706	T	25.7	Very low	26.8	Very low	107 Å²	107	117.2 Å²	117.2	66%	0.656	68%	0.677	S	S	*	*			trans	-36	139.8	157.3	52.1	0	0	0	0	115
707	T	27.1	Very low	27.1	Very low	118 Å²	118	119.9 Å²	119.9	72%	0.724	69%	0.686	S	S	*	*			cis	-152.8	131	11.7	-63.6	0	0	0	0	113.2
708	S	25.4	Very low	27.3	Very low	82 Å²	82	119 Å²	119	57%	0.573	68%	0.681	S	S	*	*			trans	43.7	123.2	151.8	-51.5	0	0	0	0	124.9	L417	L417-S708 WeakPolarHBondContact CD2-O 3.27Å
709	T	27.6	Very low	27.7	Very low	60 Å²	60	119.3 Å²	119.3	37%	0.368	68%	0.683	S	S	.	*			trans	56.2	166.3	149.4	49.8	0	0	0	0	119.6	L417 M419	L417-T709 WeakPolarHBondContact CA-OG1 3.43Å; M419-T709 HydrophobicContact CG-CG2 3.95Å
710	T	25	Very low	28.1	Very low	94 Å²	94	120.5 Å²	120.5	58%	0.577	68%	0.681	S	S	*	*			cis	88.8	109.2	-2.2	70.3	0	0	0	0	122.9	L417 G418	L417-T710 CarbonylContact C-O 3.37Å; L417-T710 VanDerWaalsContact N-C 3.32Å; L417-T710 VanDerWaalsContact N-N 3.19Å; G418-T710 PolarHBondContact N-O 2.71Å
711	T	28.9	Very low	28.3	Very low	58 Å²	58	122.6 Å²	122.6	36%	0.356	70%	0.695	S	S	.	*			trans	-156.4	-174.1	167.3	11	0	0	0	0	112.2	L416 L417 G418	L416-T711 PolarHBondContact O-OG1 3.36Å; L417-T711 VanDerWaalsContact CA-OG1 3.25Å; L417-T711 WeakPolarHBondContact CA-OG1 3.03Å; L417-T711 PolarHBondContact N-OG1 3.26Å; L417-T711 PolarHBondContact O-OG1 2.96Å; G418-T711 VanDerWaalsContact CA-CG2 3.42Å; G418-T711 PolarHBondContact N-OG1 2.76Å; G418-T711 VanDerWaalsContact O-CG2 3.27Å; G418-T711 WeakPolarHBondContact O-CG2 3.47Å
712	T	23.8	Very low	28.7	Very low	124 Å²	124	119.3 Å²	119.3	76%	0.761	68%	0.683	S	S	*	*			trans	-151.4	130.3	-168.6	51	0	0	0	0	113.8
713	T	26.5	Very low	29.5	Very low	125 Å²	125	115.3 Å²	115.3	77%	0.767	68%	0.679	S	S	*	*			trans	-161.1	110.4	145.3	13.2	0	0	0	0	113.8
714	T	25.9	Very low	30.5	Very low	113 Å²	113	109.8 Å²	109.8	69%	0.693	66%	0.655	S	S	*	*			trans	17.9	120.9	143.1	56.6	0	0	0	0	122.4
715	T	28.9	Very low	31.1	Very low	124 Å²	124	108.9 Å²	108.9	76%	0.761	64%	0.642	S	S	*	*				-138.5	159	122.2	45.6	0	0	0	0	109.4
716	N	27.7	Very low	32	Very low	96 Å²	96	104.9 Å²	104.9	51%	0.513	62%	0.624	S	S	.	*			trans	-90.4	142.6	-176.9	-48.1	-84.3	0	0	0	111.3	P408 N409	P408-N716 WeakPolarHBondContact CB-ND2 3.45Å; P408-N716 VanDerWaalsContact CG-ND2 3.34Å; P408-N716 WeakPolarHBondContact CG-ND2 3.36Å; N409-N716 PolarHBondContact OD1-ND2 3.5Å
717	D	29.9	Very low	33.1	Very low	151 Å²	151	105 Å²	105	81%	0.807	63%	0.63	S	S	*	*			trans	-164.3	153.1	130	-110.5	-34	0	0	0	114.7
718	T	30.1	Very low	34.2	Very low	104 Å²	104	104.7 Å²	104.7	64%	0.638	62%	0.623	S	S	*	*			trans	12.3	137.2	164.5	63.8	0	0	0	0	122.8
719	N	32	Very low	35.6	Very low	154 Å²	154	101.3 Å²	101.3	82%	0.824	60%	0.598	S	S	*	*			trans	47.7	72.2	135.8	-57.5	-18.6	0	0	0	118.8
720	K	33.8	Very low	37.3	Very low	187 Å²	187	102.9 Å²	102.9	81%	0.813	60%	0.601	S	S	*	*			trans	-114.6	84.9	159.5	-100.2	-179.2	178.6	175.7	0	113.6	S722	K720-S722 PolarHBondContact O-N 3.04Å
721	S	32.6	Very low	39.1	Very low	131 Å²	131	103 Å²	103	92%	0.916	60%	0.595	S	S	*	*			trans	-72.1	67.9	158.2	50.8	0	0	0	0	110.4
722	S	36.2	Very low	41	Very low	71 Å²	71	107 Å²	107	50%	0.497	60%	0.604	S	S	.	*			trans	-141.2	129.8	-179.5	57.8	0	0	0	0	110.9	K720	K720-S722 PolarHBondContact O-N 3.04Å
723	S	46.9	Very low	43.1	Very low	103 Å²	103	102.6 Å²	102.6	72%	0.72	58%	0.577	S	S	*	*			trans	61	53.3	172.7	-54.3	0	0	0	0	117.1	N725	S723-N725 PolarHBondContact O-N 2.89Å
724	I	50	Low	45.1	Very low	59 Å²	59	103.2 Å²	103.2	30%	0.303	59%	0.586	S	S	.	*	S	Bend		-70.4	109.6	124.3	-63.7	179.3	0	0	0	104.5	S726 A757 H758 T761	I724-S726 PolarHBondContact O-N 3.36Å; I724-A757 HydrophobicContact CG2-CB 4.12Å; I724-H758 WeakPolarHBondContact CD1-ND1 3.44Å; I724-T761 HydrophobicContact CG2-CG2 4.41Å
725	N	41.9	Very low	47.4	Very low	88 Å²	88	102.3 Å²	102.3	47%	0.471	58%	0.577	S	S	.	*			trans	-50.5	114	-168.2	-80.3	-9	0	0	0	112.4	S723 S727 L728	S723-N725 PolarHBondContact O-N 2.89Å; N725-S727 PolarHBondContact O-N 3.04Å; N725-L728 HydrophobicContact CB-CD1 4.39Å; N725-L728 PolarHBondContact O-N 2.88Å
726	S	46.2	Very low	49.7	Very low	53 Å²	53	97.9 Å²	97.9	37%	0.371	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-52.6	-40	174.8	-168.7	0	0	0	0	111.1	I724 L728 I729 Q730	I724-S726 PolarHBondContact O-N 3.36Å; S726-L728 PolarHBondContact O-N 3.44Å; S726-I729 PolarHBondContact O-N 2.86Å; S726-I729 VanDerWaalsContact O-N 3.1Å; S726-Q730 PolarHBondContact O-N 3.21Å; S726-Q730 PolarHBondContact OG-NE2 3.48Å; S726-Q730 VanDerWaalsContact OG-NE2 3.14Å; S726-Q730 PolarHBondContact OG-OE1 2.74Å
727	S	48.8	Very low	52.5	Low	110 Å²	110	95.4 Å²	95.4	77%	0.769	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-61.5	-6.6	177.8	48.8	0	0	0	0	116.5	N725	N725-S727 PolarHBondContact O-N 3.04Å
728	L	49.7	Very low	55.1	Low	111 Å²	111	90.3 Å²	90.3	58%	0.581	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-96.7	-25.6	171.7	-85.6	170.1	0	0	0	113.7	N725 S726 M741	N725-L728 HydrophobicContact CB-CD1 4.39Å; N725-L728 PolarHBondContact O-N 2.88Å; S726-L728 PolarHBondContact O-N 3.44Å; L728-M741 WeakPolarHBondContact O-CB 3.4Å
729	I	55	Low	57.6	Low	12 Å²	12	86 Å²	86	6%	0.062	49%	0.487	C	S	.	.	S	Bend	trans	-149	41.9	-162.3	-36.9	-175.6	0	0	0	112.3	S726 C740 V742 L753 A757	S726-I729 PolarHBondContact O-N 2.86Å; S726-I729 VanDerWaalsContact O-N 3.1Å; I729-C740 HydrophobicContact CG2-CB 4.08Å; I729-C740 WeakPolarHBondContact CG2-SG 3.49Å; I729-V742 HydrophobicContact CD1-CG2 4.18Å; I729-V742 HydrophobicContact CG1-CG2 4.17Å; I729-L753 HydrophobicContact CG2-CD1 3.86Å; I729-L753 HydrophobicContact CG2-CG 4.3Å; I729-L753 WeakPolarHBondContact O-CD2 3.24Å; I729-A757 HydrophobicContact CD1-CB 3.69Å
730	Q	63.2	Low	60.3	Low	92 Å²	92	78.7 Å²	78.7	43%	0.43	45%	0.448	S	S	.	.			trans	-140.8	108.9	169.1	-63.4	-166.4	22.7	0	0	111.4	S726	S726-Q730 PolarHBondContact O-N 3.21Å; S726-Q730 PolarHBondContact OG-NE2 3.48Å; S726-Q730 VanDerWaalsContact OG-NE2 3.14Å; S726-Q730 PolarHBondContact OG-OE1 2.74Å
731	H	62.6	Low	62.6	Low	97 Å²	97	75.3 Å²	75.3	45%	0.449	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.6	156.4	178.3	-74	0	0	0	107.5	T733 V739 M741	H731-T733 PolarHBondContact ND1-N 2.83Å; H731-V739 PolarHBondContact O-N 3.1Å; H731-M741 HydrophobicContact CB-SD 3.64Å
732	R	68.8	Low	65.1	Low	142 Å²	142	72.9 Å²	72.9	54%	0.536	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	106.9	172.8	-168.9	179.7	-171.3	179.1	-1.5	108.3	D663 L737	D663-R732 WeakPolarHBondContact OD2-CD 3.08Å; D663-R732 IonicContact OD2-CZ 2.65Å; D663-R732 IonicContact OD2-NE 3.56Å; D663-R732 IonicContact OD2-NH1 2.77Å; D663-R732 PolarHBondContact OD2-NH1 3.14Å; R732-L737 WeakPolarHBondContact CA-O 3.07Å
733	T	69.1	Low	67.6	Low	31 Å²	31	72 Å²	72	19%	0.19	41%	0.409	C	S	.	.			trans	-68.7	160.1	176.3	33.3	0	0	0	0	111.2	H731 N735 G736 L737 V739	H731-T733 PolarHBondContact ND1-N 2.83Å; T733-N735 VanDerWaalsContact CB-OD1 3.27Å; T733-N735 WeakPolarHBondContact CB-OD1 3.19Å; T733-N735 PolarHBondContact O-N 2.71Å; T733-N735 PolarHBondContact OG1-OD1 3.16Å; T733-G736 WeakPolarHBondContact O-CA 3.23Å; T733-G736 PolarHBondContact O-N 3.48Å; T733-L737 PolarHBondContact N-O 3.21Å; T733-L737 PolarHBondContact OG1-O 2.92Å; T733-V739 HydrophobicContact CG2-CG2 3.62Å
734	S	68.2	Low	69.4	Low	138 Å²	138	71.4 Å²	71.4	97%	0.965	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-18.5	-178.6	49.9	0	0	0	0	114.8	G736	S734-G736 VanDerWaalsContact C-N 3.31Å
735	N	73.2	Confident	71.1	Confident	94 Å²	94	75.2 Å²	75.2	50%	0.503	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	10.5	171.6	63.2	5.9	0	0	0	114.2	T733 L737	T733-N735 VanDerWaalsContact CB-OD1 3.27Å; T733-N735 WeakPolarHBondContact CB-OD1 3.19Å; T733-N735 PolarHBondContact O-N 2.71Å; T733-N735 PolarHBondContact OG1-OD1 3.16Å; N735-L737 VanDerWaalsContact C-N 3.29Å; N735-L737 PolarHBondContact O-N 2.94Å; N735-L737 WeakPolarHBondContact OD1-CB 3.5Å; N735-L737 WeakPolarHBondContact OD1-CG 3.46Å; N735-L737 PolarHBondContact OD1-N 3.45Å
736	G	78.1	Confident	73.4	Confident	32 Å²	32	76.1 Å²	76.1	33%	0.33	42%	0.417	S	S	.	.	S	Bend	trans	77.2	0.9	178.9	0	0	0	0	0	116	T733 S734	T733-G736 WeakPolarHBondContact O-CA 3.23Å; T733-G736 PolarHBondContact O-N 3.48Å; S734-G736 VanDerWaalsContact C-N 3.31Å
737	L	86.4	Confident	75.3	Confident	43 Å²	43	75.5 Å²	75.5	23%	0.225	41%	0.408	C	S	.	.			trans	-81.4	148.5	-178.2	-57.8	179	0	0	0	112.6	R732 T733 N735 Q746 T748	R732-L737 WeakPolarHBondContact CA-O 3.07Å; T733-L737 PolarHBondContact N-O 3.21Å; T733-L737 PolarHBondContact OG1-O 2.92Å; N735-L737 VanDerWaalsContact C-N 3.29Å; N735-L737 PolarHBondContact O-N 2.94Å; N735-L737 WeakPolarHBondContact OD1-CB 3.5Å; N735-L737 WeakPolarHBondContact OD1-CG 3.46Å; N735-L737 PolarHBondContact OD1-N 3.45Å; L737-Q746 HydrophobicContact CB-CB 4.29Å; L737-Q746 HydrophobicContact CD1-CB 4.01Å; L737-T748 HydrophobicContact CD2-CG2 3.82Å
738	F	85.5	Confident	77.2	Confident	45 Å²	45	75.5 Å²	75.5	20%	0.197	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.1	176	-60.7	-92.3	0	0	0	109.9	Q746 F747 R749 L753	F738-Q746 CarbonylContact O-C 3.29Å; F738-F747 PolarHBondContact N-O 2.84Å; F738-F747 PolarHBondContact O-N 3.08Å; F738-R749 VanDerWaalsContact CD2-C 3.44Å; F738-L753 HydrophobicContact CB-CB 4.38Å; F738-L753 HydrophobicContact CB-CD2 3.68Å
739	V	82.4	Confident	78.7	Confident	14 Å²	14	76.7 Å²	76.7	9%	0.085	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	133.5	-173.9	-170.9	0	0	0	0	112.5	H731 T733 M741 Q746	H731-V739 PolarHBondContact O-N 3.1Å; T733-V739 HydrophobicContact CG2-CG2 3.62Å; V739-M741 PolarHBondContact O-N 3.38Å; V739-Q746 HydrophobicContact CG1-CG 4.49Å; V739-Q746 HydrophobicContact CG2-CG 4.05Å
740	C	87.8	Confident	80.1	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	41%	0.409	C	S	.	.			trans	-77.9	103.5	173.4	-172.6	0	0	0	0	111.8	I729 V742 C743 S744 R745 F747 L753	I729-C740 HydrophobicContact CG2-CB 4.08Å; I729-C740 WeakPolarHBondContact CG2-SG 3.49Å; C740-V742 PolarHBondContact O-N 3.41Å; C740-C743 PolarHBondContact O-N 3.04Å; C740-C743 VanDerWaalsContact O-N 3.08Å; C740-C743 VanDerWaalsContact SG-SG 3.62Å; C740-S744 VanDerWaalsContact O-CA 3.26Å; C740-S744 WeakPolarHBondContact O-CA 2.98Å; C740-S744 PolarHBondContact O-N 3.35Å; C740-R745 HydrophobicContact CB-CB 4.42Å; C740-R745 PolarHBondContact N-O 2.68Å; C740-F747 HydrophobicContact CB-CE2 4.21Å; C740-L753 HydrophobicContact CB-CD1 3.48Å; C740-L753 VanDerWaalsContact CB-CD1 3.48Å
741	M	83.3	Confident	81.1	Confident	115 Å²	115	75.7 Å²	75.7	57%	0.567	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-18.7	179.7	-56.8	-56.6	-72.2	0	0	114.7	L728 H731 V739	L728-M741 WeakPolarHBondContact O-CB 3.4Å; H731-M741 HydrophobicContact CB-SD 3.64Å; V739-M741 PolarHBondContact O-N 3.38Å
742	V	84.7	Confident	82.2	Confident	81 Å²	81	73.7 Å²	73.7	49%	0.491	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-6.5	-177.3	-159.1	0	0	0	0	113.1	I729 C740 H760	I729-V742 HydrophobicContact CD1-CG2 4.18Å; I729-V742 HydrophobicContact CG1-CG2 4.17Å; C740-V742 PolarHBondContact O-N 3.41Å; V742-H760 VanDerWaalsContact CB-CE1 3.49Å; V742-H760 WeakPolarHBondContact CB-CE1 2.98Å; V742-H760 WeakPolarHBondContact CB-ND1 3.07Å; V742-H760 WeakPolarHBondContact CG1-ND1 3.38Å; V742-H760 PolarHBondContact O-CE1 2.76Å
743	C	87	Confident	83.1	Confident	52 Å²	52	67.1 Å²	67.1	35%	0.351	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.7	13.5	173.8	69.1	0	0	0	0	115.5	C740 R745 H756	C740-C743 PolarHBondContact O-N 3.04Å; C740-C743 VanDerWaalsContact O-N 3.08Å; C740-C743 VanDerWaalsContact SG-SG 3.62Å; C743-R745 PolarHBondContact O-N 2.76Å; C743-H756 PolarHBondContact SG-NE2 2.98Å
744	S	85.8	Confident	83.9	Confident	90 Å²	90	68.4 Å²	68.4	63%	0.629	38%	0.375	S	S	*	.			trans	52.9	11.7	-178.3	-54.5	0	0	0	0	116.8	C740 Q746	C740-S744 VanDerWaalsContact O-CA 3.26Å; C740-S744 WeakPolarHBondContact O-CA 2.98Å; C740-S744 PolarHBondContact O-N 3.35Å; S744-Q746 PolarHBondContact O-N 3.05Å
745	R	86.3	Confident	84.7	Confident	140 Å²	140	66.8 Å²	66.8	53%	0.528	35%	0.348	S	S	.	.			trans	-67.5	130.2	176	-73.9	-177.5	176.4	-144.2	-4	111	C740 C743 F747	C740-R745 HydrophobicContact CB-CB 4.42Å; C740-R745 PolarHBondContact N-O 2.68Å; C743-R745 PolarHBondContact O-N 2.76Å; R745-F747 HydrophobicContact CB-CD2 4.48Å; R745-F747 HydrophobicContact CB-CE2 3.55Å; R745-F747 HydrophobicContact CB-CZ 3.86Å; R745-F747 WeakPolarHBondContact O-CD2 3.34Å; R745-F747 WeakPolarHBondContact O-CE2 3.25Å
746	Q	88.5	Confident	85.4	Confident	106 Å²	106	63 Å²	63	50%	0.495	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	140.8	179.1	-50	-174.6	-8.6	0	0	110.1	L737 F738 V739 S744	L737-Q746 HydrophobicContact CB-CB 4.29Å; L737-Q746 HydrophobicContact CD1-CB 4.01Å; F738-Q746 CarbonylContact O-C 3.29Å; V739-Q746 HydrophobicContact CG1-CG 4.49Å; V739-Q746 HydrophobicContact CG2-CG 4.05Å; S744-Q746 PolarHBondContact O-N 3.05Å
747	F	87.1	Confident	85.7	Confident	40 Å²	40	61.7 Å²	61.7	18%	0.175	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	143	-178.7	-61.8	-92.4	0	0	0	110.4	F738 C740 R745 R749 M752 L753 H756	F738-F747 PolarHBondContact N-O 2.84Å; F738-F747 PolarHBondContact O-N 3.08Å; C740-F747 HydrophobicContact CB-CE2 4.21Å; R745-F747 HydrophobicContact CB-CD2 4.48Å; R745-F747 HydrophobicContact CB-CE2 3.55Å; R745-F747 HydrophobicContact CB-CZ 3.86Å; R745-F747 WeakPolarHBondContact O-CD2 3.34Å; R745-F747 WeakPolarHBondContact O-CE2 3.25Å; F747-R749 VanDerWaalsContact C-N 3.26Å; F747-R749 PolarHBondContact O-N 2.71Å; F747-M752 HydrophobicContact CB-CB 4.22Å; F747-M752 HydrophobicContact CD1-CB 3.93Å; F747-M752 HydrophobicContact CG-CB 4.41Å; F747-L753 HydrophobicContact CB-CB 4.27Å; F747-L753 HydrophobicContact CD2-CB 4.01Å; F747-L753 HydrophobicContact CD2-CD1 3.65Å; F747-L753 HydrophobicContact CD2-CG 4.32Å; F747-L753 HydrophobicContact CE2-CD1 3.7Å; F747-L753 HydrophobicContact CG-CB 4.21Å; F747-H756 HydrophobicContact CE1-CB 4.07Å; F747-H756 HydrophobicContact CE2-CB 4.11Å; F747-H756 AromaticContact CE2-CD2 3.96Å; F747-H756 AromaticContact CE2-CG 3.96Å; F747-H756 HydrophobicContact CZ-CB 3.59Å; F747-H756 AromaticContact CZ-CD2 3.77Å; F747-H756 AromaticContact CZ-CG 3.38Å; F747-H756 AromaticContact CZ-ND1 3.74Å
748	T	87.7	Confident	85.8	Confident	110 Å²	110	61 Å²	61	68%	0.675	31%	0.309	S	S	*	.	S	Bend	trans	-76.1	-10.2	-179.3	50.8	0	0	0	0	114.2	L737	L737-T748 HydrophobicContact CD2-CG2 3.82Å
749	R	82	Confident	85.7	Confident	136 Å²	136	59.3 Å²	59.3	51%	0.513	30%	0.302	S	S	.	.	S	Bend	trans	-145.4	148.5	-179.3	-68.3	163.7	49.3	126.6	-9.2	110.9	F738 F747 D751 M752 L753	F738-R749 VanDerWaalsContact CD2-C 3.44Å; F747-R749 VanDerWaalsContact C-N 3.26Å; F747-R749 PolarHBondContact O-N 2.71Å; R749-D751 WeakPolarHBondContact CB-OD1 3.43Å; R749-D751 IonicContact CZ-OD1 2.78Å; R749-D751 IonicContact CZ-OD2 3.56Å; R749-D751 IonicContact NE-OD1 2.74Å; R749-D751 PolarHBondContact NE-OD1 2.88Å; R749-D751 IonicContact NE-OD2 3.85Å; R749-D751 VanDerWaalsContact NH2-CG 3.27Å; R749-D751 IonicContact NH2-OD1 3.57Å; R749-D751 PolarHBondContact NH2-OD1 3Å; R749-D751 IonicContact NH2-OD2 3.71Å; R749-D751 PolarHBondContact NH2-OD2 3.37Å; R749-M752 HydrophobicContact CB-CG 4.1Å; R749-M752 PolarHBondContact O-N 3.47Å; R749-L753 PolarHBondContact O-N 3.38Å
750	S	85.2	Confident	85.9	Confident	36 Å²	36	61.3 Å²	61.3	25%	0.252	31%	0.31	S	S	.	.	H	α-helix	trans	-62.4	-39.7	176.9	52.7	0	0	0	0	113	M752 L753 V754	S750-M752 VanDerWaalsContact C-N 3.33Å; S750-M752 PolarHBondContact O-N 2.11Å; S750-L753 CarbonylContact O-C 3.43Å; S750-L753 WeakPolarHBondContact O-CA 3.24Å; S750-L753 WeakPolarHBondContact O-CB 3.29Å; S750-L753 PolarHBondContact O-N 2.82Å; S750-L753 VanDerWaalsContact O-N 3.1Å; S750-V754 WeakPolarHBondContact O-CG2 3.37Å; S750-V754 PolarHBondContact O-N 2.91Å
751	D	83.3	Confident	85.6	Confident	47 Å²	47	64.9 Å²	64.9	25%	0.251	33%	0.332	S	S	.	.	H	α-helix	trans	-62.7	-37.3	178.6	73.9	-41.4	0	0	0	112.9	R749 L753 V754 R755	R749-D751 WeakPolarHBondContact CB-OD1 3.43Å; R749-D751 IonicContact CZ-OD1 2.78Å; R749-D751 IonicContact CZ-OD2 3.56Å; R749-D751 IonicContact NE-OD1 2.74Å; R749-D751 PolarHBondContact NE-OD1 2.88Å; R749-D751 IonicContact NE-OD2 3.85Å; R749-D751 VanDerWaalsContact NH2-CG 3.27Å; R749-D751 IonicContact NH2-OD1 3.57Å; R749-D751 PolarHBondContact NH2-OD1 3Å; R749-D751 IonicContact NH2-OD2 3.71Å; R749-D751 PolarHBondContact NH2-OD2 3.37Å; D751-L753 VanDerWaalsContact C-N 3.29Å; D751-L753 PolarHBondContact O-N 2.67Å; D751-V754 PolarHBondContact O-N 3.02Å; D751-R755 WeakPolarHBondContact O-CB 3.46Å; D751-R755 PolarHBondContact O-N 3.2Å
752	M	86.5	Confident	85.6	Confident	56 Å²	56	61 Å²	61	28%	0.276	32%	0.322	S	S	.	.	H	α-helix	trans	-64.2	-37.7	174.6	-62.9	-66.3	158.5	0	0	111.1	F747 R749 S750 R755 H756	F747-M752 HydrophobicContact CB-CB 4.22Å; F747-M752 HydrophobicContact CD1-CB 3.93Å; F747-M752 HydrophobicContact CG-CB 4.41Å; R749-M752 HydrophobicContact CB-CG 4.1Å; R749-M752 PolarHBondContact O-N 3.47Å; S750-M752 VanDerWaalsContact C-N 3.33Å; S750-M752 PolarHBondContact O-N 2.11Å; M752-R755 PolarHBondContact SD-NH2 3.34Å; M752-H756 WeakPolarHBondContact O-CB 3.5Å; M752-H756 PolarHBondContact O-N 3.15Å; M752-H756 VanDerWaalsContact O-N 3.08Å
753	L	87.1	Confident	85.6	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-72.2	-40	174	-179.4	53.3	0	0	0	112.2	I729 F738 C740 F747 R749 S750 D751 R755 H756 A757	I729-L753 HydrophobicContact CG2-CD1 3.86Å; I729-L753 HydrophobicContact CG2-CG 4.3Å; I729-L753 WeakPolarHBondContact O-CD2 3.24Å; F738-L753 HydrophobicContact CB-CB 4.38Å; F738-L753 HydrophobicContact CB-CD2 3.68Å; C740-L753 HydrophobicContact CB-CD1 3.48Å; C740-L753 VanDerWaalsContact CB-CD1 3.48Å; F747-L753 HydrophobicContact CB-CB 4.27Å; F747-L753 HydrophobicContact CD2-CB 4.01Å; F747-L753 HydrophobicContact CD2-CD1 3.65Å; F747-L753 HydrophobicContact CD2-CG 4.32Å; F747-L753 HydrophobicContact CE2-CD1 3.7Å; F747-L753 HydrophobicContact CG-CB 4.21Å; R749-L753 PolarHBondContact O-N 3.38Å; S750-L753 CarbonylContact O-C 3.43Å; S750-L753 WeakPolarHBondContact O-CA 3.24Å; S750-L753 WeakPolarHBondContact O-CB 3.29Å; S750-L753 PolarHBondContact O-N 2.82Å; S750-L753 VanDerWaalsContact O-N 3.1Å; D751-L753 VanDerWaalsContact C-N 3.29Å; D751-L753 PolarHBondContact O-N 2.67Å; L753-R755 VanDerWaalsContact C-N 3.34Å; L753-R755 PolarHBondContact O-N 3.11Å; L753-H756 CarbonylContact O-C 3.47Å; L753-H756 VanDerWaalsContact O-C 3.3Å; L753-H756 WeakPolarHBondContact O-CA 3.13Å; L753-H756 WeakPolarHBondContact O-CB 3.45Å; L753-H756 PolarHBondContact O-N 3.22Å; L753-A757 PolarHBondContact O-N 3.42Å
754	V	85.4	Confident	85.7	Confident	57 Å²	57	60.4 Å²	60.4	35%	0.345	31%	0.307	S	S	.	.	H	α-helix	trans	-62.6	-40.2	174	171	0	0	0	0	111.4	S750 D751 H756 A757 H758	S750-V754 WeakPolarHBondContact O-CG2 3.37Å; S750-V754 PolarHBondContact O-N 2.91Å; D751-V754 PolarHBondContact O-N 3.02Å; V754-H756 PolarHBondContact O-N 2.53Å; V754-A757 WeakPolarHBondContact O-CA 3.45Å; V754-A757 VanDerWaalsContact O-CB 3.28Å; V754-A757 WeakPolarHBondContact O-CB 3.31Å; V754-A757 PolarHBondContact O-N 2.71Å; V754-H758 PolarHBondContact O-N 2.81Å; V754-H758 VanDerWaalsContact O-N 3.13Å; V754-H758 PolarHBondContact O-ND1 2.82Å
755	R	86.4	Confident	85.7	Confident	104 Å²	104	58.5 Å²	58.5	39%	0.392	29%	0.293	S	S	.	.	H	α-helix	trans	-64.9	-29.6	172	-168.2	173.8	67.7	178.5	1.5	112.1	D751 M752 L753 R777	D751-R755 WeakPolarHBondContact O-CB 3.46Å; D751-R755 PolarHBondContact O-N 3.2Å; M752-R755 PolarHBondContact SD-NH2 3.34Å; L753-R755 VanDerWaalsContact C-N 3.34Å; L753-R755 PolarHBondContact O-N 3.11Å; R755-R777 HydrophobicContact CG-CG 4.22Å
756	H	85.9	Confident	85.9	Confident	16 Å²	16	55.4 Å²	55.4	7%	0.074	28%	0.283	C	S	.	.	H	α-helix	trans	-80.6	-17.4	170	-167.7	77.5	0	0	0	113.6	C743 F747 M752 L753 V754 V759 H760	C743-H756 PolarHBondContact SG-NE2 2.98Å; F747-H756 HydrophobicContact CE1-CB 4.07Å; F747-H756 HydrophobicContact CE2-CB 4.11Å; F747-H756 AromaticContact CE2-CD2 3.96Å; F747-H756 AromaticContact CE2-CG 3.96Å; F747-H756 HydrophobicContact CZ-CB 3.59Å; F747-H756 AromaticContact CZ-CD2 3.77Å; F747-H756 AromaticContact CZ-CG 3.38Å; F747-H756 AromaticContact CZ-ND1 3.74Å; M752-H756 WeakPolarHBondContact O-CB 3.5Å; M752-H756 PolarHBondContact O-N 3.15Å; M752-H756 VanDerWaalsContact O-N 3.08Å; L753-H756 CarbonylContact O-C 3.47Å; L753-H756 VanDerWaalsContact O-C 3.3Å; L753-H756 WeakPolarHBondContact O-CA 3.13Å; L753-H756 WeakPolarHBondContact O-CB 3.45Å; L753-H756 PolarHBondContact O-N 3.22Å; V754-H756 PolarHBondContact O-N 2.53Å; H756-V759 WeakPolarHBondContact O-CB 3.25Å; H756-V759 WeakPolarHBondContact O-CG1 3.5Å; H756-H760 AromaticContact CD2-CD2 3.96Å; H756-H760 AromaticContact CD2-NE2 3.95Å; H756-H760 AromaticContact NE2-CD2 3.89Å; H756-H760 AromaticContact NE2-NE2 3.47Å; H756-H760 PolarHBondContact NE2-NE2 2.86Å; H756-H760 PolarHBondContact O-CD2 3.26Å; H756-H760 PolarHBondContact O-N 3.15Å
757	A	84.7	Confident	85.9	Confident	4 Å²	4	51.6 Å²	51.6	3%	0.033	27%	0.266	C	S	.	.	H	α-helix	trans	-78.1	-41	175.8	0	0	0	0	0	112.3	I724 I729 L753 V754 V759 H760 T761	I724-A757 HydrophobicContact CG2-CB 4.12Å; I729-A757 HydrophobicContact CD1-CB 3.69Å; L753-A757 PolarHBondContact O-N 3.42Å; V754-A757 WeakPolarHBondContact O-CA 3.45Å; V754-A757 VanDerWaalsContact O-CB 3.28Å; V754-A757 WeakPolarHBondContact O-CB 3.31Å; V754-A757 PolarHBondContact O-N 2.71Å; A757-V759 PolarHBondContact O-N 2.72Å; A757-H760 WeakPolarHBondContact O-CA 3.12Å; A757-H760 PolarHBondContact O-N 2.96Å; A757-T761 PolarHBondContact O-N 3.13Å; A757-T761 PolarHBondContact O-OG1 3.06Å
758	H	88.2	Confident	86.1	Confident	29 Å²	29	49.7 Å²	49.7	13%	0.134	26%	0.257	C	S	.	.	H	α-helix	trans	-45.1	-40.6	168.2	-68.7	-2.8	0	0	0	112.1	I724 V754 H760 T761 G762 H763	I724-H758 WeakPolarHBondContact CD1-ND1 3.44Å; V754-H758 PolarHBondContact O-N 2.81Å; V754-H758 VanDerWaalsContact O-N 3.13Å; V754-H758 PolarHBondContact O-ND1 2.82Å; H758-H760 VanDerWaalsContact C-N 3.35Å; H758-T761 WeakPolarHBondContact CA-OG1 3.33Å; H758-T761 PolarHBondContact O-N 3.48Å; H758-T761 PolarHBondContact O-OG1 3.21Å; H758-G762 PolarHBondContact O-N 3.49Å; H758-G762 VanDerWaalsContact O-N 3.14Å; H758-H763 HydrophobicContact CB-CB 4.43Å; H758-H763 WeakPolarHBondContact CB-O 3.3Å; H758-H763 AromaticContact CE1-ND1 3.65Å; H758-H763 AromaticContact CG-ND1 3.75Å; H758-H763 AromaticContact ND1-ND1 3.41Å; H758-H763 PolarHBondContact ND1-ND1 3.15Å; H758-H763 PolarHBondContact O-N 2.82Å
759	V	85.1	Confident	86.1	Confident	8 Å²	8	50.4 Å²	50.4	5%	0.048	26%	0.262	C	S	.	.	H	α-helix	trans	-71	-24.2	-177.8	145.5	0	0	0	0	111.8	S399 K400 H756 A757	S399-V759 WeakPolarHBondContact O-CG2 3.48Å; K400-V759 HydrophobicContact CB-CB 4.39Å; K400-V759 HydrophobicContact CB-CG1 4.07Å; K400-V759 WeakPolarHBondContact CB-O 3.4Å; K400-V759 HydrophobicContact CD-CG1 4.41Å; K400-V759 WeakPolarHBondContact CD-O 3.21Å; K400-V759 VanDerWaalsContact CE-CG1 3.46Å; K400-V759 WeakPolarHBondContact CE-O 3.49Å; K400-V759 HydrophobicContact CG-CG1 4.5Å; K400-V759 VanDerWaalsContact NZ-C 3.32Å; K400-V759 PolarHBondContact NZ-O 3.05Å; H756-V759 WeakPolarHBondContact O-CB 3.25Å; H756-V759 WeakPolarHBondContact O-CG1 3.5Å; A757-V759 PolarHBondContact O-N 2.72Å
760	H	85.5	Confident	86.4	Confident	56 Å²	56	48.7 Å²	48.7	26%	0.259	26%	0.262	S	S	.	.	H	α-helix	trans	-85.8	-40.3	165.3	-79.9	-83.7	0	0	0	113.1	K400 V742 H756 A757 H758 G762	K400-H760 PolarHBondContact NZ-CD2 3.39Å; K400-H760 PolarHBondContact NZ-CE1 3.23Å; K400-H760 PolarHBondContact NZ-ND1 3.29Å; K400-H760 PolarHBondContact NZ-NE2 3.14Å; K400-H760 VanDerWaalsContact NZ-NE2 3.15Å; V742-H760 VanDerWaalsContact CB-CE1 3.49Å; V742-H760 WeakPolarHBondContact CB-CE1 2.98Å; V742-H760 WeakPolarHBondContact CB-ND1 3.07Å; V742-H760 WeakPolarHBondContact CG1-ND1 3.38Å; V742-H760 PolarHBondContact O-CE1 2.76Å; H756-H760 AromaticContact CD2-CD2 3.96Å; H756-H760 AromaticContact CD2-NE2 3.95Å; H756-H760 AromaticContact NE2-CD2 3.89Å; H756-H760 AromaticContact NE2-NE2 3.47Å; H756-H760 PolarHBondContact NE2-NE2 2.86Å; H756-H760 PolarHBondContact O-CD2 3.26Å; H756-H760 PolarHBondContact O-N 3.15Å; A757-H760 WeakPolarHBondContact O-CA 3.12Å; A757-H760 PolarHBondContact O-N 2.96Å; H758-H760 VanDerWaalsContact C-N 3.35Å; H760-G762 VanDerWaalsContact C-N 3.26Å; H760-G762 PolarHBondContact O-N 3.34Å
761	T	81.5	Confident	86.7	Confident	76 Å²	76	49.8 Å²	49.8	47%	0.466	27%	0.269	S	S	.	.	H	α-helix	trans	-79.7	-1.9	-171.8	56.6	0	0	0	0	114.9	I724 A757 H758 H763	I724-T761 HydrophobicContact CG2-CG2 4.41Å; A757-T761 PolarHBondContact O-N 3.13Å; A757-T761 PolarHBondContact O-OG1 3.06Å; H758-T761 WeakPolarHBondContact CA-OG1 3.33Å; H758-T761 PolarHBondContact O-N 3.48Å; H758-T761 PolarHBondContact O-OG1 3.21Å; T761-H763 PolarHBondContact O-N 3.48Å; T761-H763 VanDerWaalsContact OG1-CB 3.23Å; T761-H763 WeakPolarHBondContact OG1-CB 3.33Å; T761-H763 PolarHBondContact OG1-N 2.85Å
762	G	84.6	Confident	86.9	Confident	33 Å²	33	48.2 Å²	48.2	34%	0.34	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	-0.5	-171.3	0	0	0	0	0	113.7	S401 S402 H758 H760	S401-G762 VanDerWaalsContact CB-C 3.42Å; S401-G762 WeakPolarHBondContact CB-O 3.17Å; S402-G762 PolarHBondContact N-O 3.15Å; H758-G762 PolarHBondContact O-N 3.49Å; H758-G762 VanDerWaalsContact O-N 3.14Å; H760-G762 VanDerWaalsContact C-N 3.26Å; H760-G762 PolarHBondContact O-N 3.34Å
763	H	83.3	Confident	87	Confident	84 Å²	84	50.4 Å²	50.4	39%	0.389	27%	0.274	S	S	.	.			trans	-69.7	131.8	-173.7	-178.8	-105.4	0	0	0	112.8	H758 T761	H758-H763 HydrophobicContact CB-CB 4.43Å; H758-H763 WeakPolarHBondContact CB-O 3.3Å; H758-H763 AromaticContact CE1-ND1 3.65Å; H758-H763 AromaticContact CG-ND1 3.75Å; H758-H763 AromaticContact ND1-ND1 3.41Å; H758-H763 PolarHBondContact ND1-ND1 3.15Å; H758-H763 PolarHBondContact O-N 2.82Å; T761-H763 PolarHBondContact O-N 3.48Å; T761-H763 VanDerWaalsContact OG1-CB 3.23Å; T761-H763 WeakPolarHBondContact OG1-CB 3.33Å; T761-H763 PolarHBondContact OG1-N 2.85Å
764	K	88.8	Confident	87.1	Confident	36 Å²	36	50.5 Å²	50.5	16%	0.157	27%	0.274	C	S	.	.			trans	-135.8	114	175.6	-75.4	-162	162.7	162.1	0	111	S401 L403 A774 F775	S401-K764 WeakPolarHBondContact O-CE 3.08Å; S401-K764 PolarHBondContact O-NZ 3.32Å; S401-K764 WeakPolarHBondContact OG-CE 3.47Å; S401-K764 WeakPolarHBondContact OG-CG 3.23Å; L403-K764 HydrophobicContact CB-CB 3.75Å; L403-K764 HydrophobicContact CB-CD 4.25Å; L403-K764 HydrophobicContact CD1-CB 3.74Å; L403-K764 VanDerWaalsContact CD1-O 3.32Å; L403-K764 WeakPolarHBondContact CD1-O 3.04Å; L403-K764 HydrophobicContact CG-CB 3.69Å; L403-K764 VanDerWaalsContact CG-O 3.25Å; L403-K764 WeakPolarHBondContact CG-O 3.26Å; K764-A774 VanDerWaalsContact CD-C 3.43Å; K764-A774 HydrophobicContact CD-CB 3.9Å; K764-A774 WeakPolarHBondContact CD-O 3.39Å; K764-A774 VanDerWaalsContact CE-O 3.25Å; K764-A774 WeakPolarHBondContact CE-O 3.1Å; K764-A774 PolarHBondContact NZ-O 3.27Å; K764-F775 WeakPolarHBondContact CB-O 3.48Å
765	P	86.7	Confident	87.3	Confident	50 Å²	50	49.4 Å²	49.4	33%	0.325	27%	0.265	S	S	.	.			trans	-79.2	-23.1	-179.3	-11.2	25	0	0	0	114.5
766	F	89.5	Confident	87.4	Confident	75 Å²	75	45 Å²	45	33%	0.329	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	116.5	-160.6	-53.9	-79.7	0	0	0	111.7	L403 F775 R777 S778 L781	L403-F766 VanDerWaalsContact CD1-O 3.22Å; L403-F766 WeakPolarHBondContact CD1-O 3.47Å; F766-F775 HydrophobicContact CB-CB 4.26Å; F766-F775 WeakPolarHBondContact CB-O 3.36Å; F766-F775 PolarHBondContact N-O 2.84Å; F766-F775 WeakPolarHBondContact O-CA 3.49Å; F766-F775 WeakPolarHBondContact O-CB 3.41Å; F766-F775 PolarHBondContact O-N 2.82Å; F766-R777 VanDerWaalsContact CD2-CA 3.47Å; F766-S778 VanDerWaalsContact CD2-N 3.29Å; F766-L781 HydrophobicContact CB-CB 4.02Å; F766-L781 HydrophobicContact CB-CD2 3.9Å
767	E	90	Very high	87.6	Confident	26 Å²	26	47.5 Å²	47.5	12%	0.121	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.6	-170.4	-167.3	-171.6	146.3	0	0	112	L403 L404 K405 Q773 L781	L403-E767 HydrophobicContact CD1-CB 3.74Å; L403-E767 HydrophobicContact CD1-CG 4.21Å; L403-E767 HydrophobicContact CD2-CB 4.26Å; L403-E767 HydrophobicContact CD2-CG 4.19Å; L404-E767 HydrophobicContact CD2-CG 4.45Å; L404-E767 WeakPolarHBondContact CD2-OE1 3.09Å; K405-E767 WeakPolarHBondContact CB-OE2 2.24Å; K405-E767 WeakPolarHBondContact CD-OE2 3.37Å; K405-E767 WeakPolarHBondContact CE-OE2 2.26Å; K405-E767 IonicContact NZ-OE2 3.72Å; K405-E767 PolarHBondContact NZ-OE2 3.44Å; E767-Q773 CarbonylContact C-O 2.89Å; E767-Q773 WeakPolarHBondContact CA-O 2.25Å; E767-L781 WeakPolarHBondContact O-CD1 3.08Å; E767-L781 WeakPolarHBondContact O-CD2 2.24Å
768	C	91.5	Very high	87.7	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.			trans	-84.7	115	175.5	-170	0	0	0	0	112.1	I770 C771 G772 Q773 F775 L781 H784 H788	C768-I770 PolarHBondContact O-N 2.84Å; C768-C771 PolarHBondContact O-N 3.08Å; C768-G772 WeakPolarHBondContact O-CA 2.25Å; C768-G772 PolarHBondContact O-N 2.92Å; C768-Q773 HydrophobicContact CB-CB 4.33Å; C768-Q773 PolarHBondContact N-O 3.45Å; C768-F775 HydrophobicContact CB-CE2 4.43Å; C768-L781 HydrophobicContact CB-CD1 3.86Å; C768-H784 WeakPolarHBondContact CB-NE2 3.22Å; C768-H784 VanDerWaalsContact SG-CD2 3.6Å; C768-H784 PolarHBondContact SG-NE2 2.9Å; C768-H784 VanDerWaalsContact SG-NE2 3.38Å; C768-H788 VanDerWaalsContact SG-CD2 3.56Å; C768-H788 PolarHBondContact SG-NE2 3Å
769	T	86.6	Confident	87.6	Confident	126 Å²	126	51.4 Å²	51.4	77%	0.773	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-1.3	176.1	57	0	0	0	0	115.5
770	I	88.6	Confident	87.8	Confident	100 Å²	100	54.3 Å²	54.3	51%	0.513	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-29.5	-176.3	-58.1	174.3	0	0	0	112	C768 H788	C768-I770 PolarHBondContact O-N 2.84Å; I770-H788 HydrophobicContact CD1-CB 3.59Å; I770-H788 HydrophobicContact CG2-CB 4.23Å
771	C	90.6	Very high	88.1	Confident	58 Å²	58	52.7 Å²	52.7	39%	0.392	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.4	13.7	-177.6	64.1	0	0	0	0	114.6	C768 Q773 H784 H788	C768-C771 PolarHBondContact O-N 3.08Å; C771-Q773 PolarHBondContact O-N 3.47Å; C771-Q773 VanDerWaalsContact SG-CB 3.58Å; C771-H784 PolarHBondContact SG-NE2 3.34Å; C771-H788 WeakPolarHBondContact CB-CE1 2.26Å; C771-H788 PolarHBondContact SG-CE1 3.2Å; C771-H788 PolarHBondContact SG-NE2 2.72Å
772	G	88.9	Confident	88.3	Confident	15 Å²	15	51.9 Å²	51.9	16%	0.155	29%	0.288	C	S	.	.			trans	68.7	-4.4	-177.8	0	0	0	0	0	115.3	L404 C768	L404-G772 WeakPolarHBondContact CG-O 2.27Å; C768-G772 WeakPolarHBondContact O-CA 2.25Å; C768-G772 PolarHBondContact O-N 2.92Å
773	Q	87.6	Confident	88.5	Confident	102 Å²	102	52.3 Å²	52.3	48%	0.477	28%	0.284	S	S	.	.			trans	-61.4	156.9	-174.5	-88.6	-68.3	-10.2	0	0	114.3	E767 C768 C771 F775	E767-Q773 CarbonylContact C-O 2.89Å; E767-Q773 WeakPolarHBondContact CA-O 2.25Å; C768-Q773 HydrophobicContact CB-CB 4.33Å; C768-Q773 PolarHBondContact N-O 3.45Å; C771-Q773 PolarHBondContact O-N 3.47Å; C771-Q773 VanDerWaalsContact SG-CB 3.58Å; Q773-F775 VanDerWaalsContact C-CE2 3.42Å; Q773-F775 HydrophobicContact CB-CE2 3.99Å; Q773-F775 HydrophobicContact CB-CZ 4.09Å; Q773-F775 WeakPolarHBondContact O-CE2 2.27Å
774	A	89.9	Confident	88.9	Confident	5 Å²	5	49.8 Å²	49.8	4%	0.041	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	116.8	-139.1	0	0	0	0	0	111.6	L403 K764	L403-A774 HydrophobicContact CB-CB 3.32Å; L403-A774 HydrophobicContact CD1-CB 4.5Å; K764-A774 VanDerWaalsContact CD-C 3.43Å; K764-A774 HydrophobicContact CD-CB 3.9Å; K764-A774 WeakPolarHBondContact CD-O 3.39Å; K764-A774 VanDerWaalsContact CE-O 3.25Å; K764-A774 WeakPolarHBondContact CE-O 3.1Å; K764-A774 PolarHBondContact NZ-O 3.27Å
775	F	90.1	Very high	88.8	Confident	35 Å²	35	51 Å²	51	15%	0.154	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.9	-178.1	-52.2	-77.1	0	0	0	115.4	K764 F766 C768 Q773 R777 H780 L781 H784	K764-F775 WeakPolarHBondContact CB-O 3.48Å; F766-F775 HydrophobicContact CB-CB 4.26Å; F766-F775 WeakPolarHBondContact CB-O 3.36Å; F766-F775 PolarHBondContact N-O 2.84Å; F766-F775 WeakPolarHBondContact O-CA 3.49Å; F766-F775 WeakPolarHBondContact O-CB 3.41Å; F766-F775 PolarHBondContact O-N 2.82Å; C768-F775 HydrophobicContact CB-CE2 4.43Å; Q773-F775 VanDerWaalsContact C-CE2 3.42Å; Q773-F775 HydrophobicContact CB-CE2 3.99Å; Q773-F775 HydrophobicContact CB-CZ 4.09Å; Q773-F775 WeakPolarHBondContact O-CE2 2.27Å; F775-R777 WeakPolarHBondContact CB-O 3.12Å; F775-R777 PolarHBondContact O-N 2.87Å; F775-H780 HydrophobicContact CB-CB 4.11Å; F775-H780 HydrophobicContact CD1-CB 3.81Å; F775-H780 HydrophobicContact CG-CB 4.22Å; F775-L781 HydrophobicContact CB-CB 4.1Å; F775-L781 HydrophobicContact CD2-CB 3.83Å; F775-L781 HydrophobicContact CD2-CD1 3.89Å; F775-L781 HydrophobicContact CD2-CG 4.47Å; F775-L781 HydrophobicContact CE2-CD1 4.22Å; F775-L781 HydrophobicContact CG-CB 4.11Å; F775-H784 HydrophobicContact CE1-CB 3.92Å; F775-H784 HydrophobicContact CE2-CB 3.81Å; F775-H784 AromaticContact CE2-CD2 3.24Å; F775-H784 WeakPolarHBondContact CE2-CD2 3.46Å; F775-H784 AromaticContact CE2-CG 3.56Å; F775-H784 AromaticContact CE2-NE2 3.97Å; F775-H784 HydrophobicContact CZ-CB 3.42Å; F775-H784 VanDerWaalsContact CZ-CB 3.42Å; F775-H784 AromaticContact CZ-CD2 3.43Å; F775-H784 VanDerWaalsContact CZ-CD2 3.43Å; F775-H784 WeakPolarHBondContact CZ-CD2 3.18Å; F775-H784 AromaticContact CZ-CG 3.24Å; F775-H784 AromaticContact CZ-ND1 3.82Å
776	S	88.5	Confident	89	Confident	11 Å²	11	51.3 Å²	51.3	8%	0.077	27%	0.274	C	S	.	.	S	Bend	trans	-77.7	-8.6	173.9	43.4	0	0	0	0	113.2	S401	S401-S776 WeakPolarHBondContact OG-CB 3.05Å
777	R	88.4	Confident	89	Confident	69 Å²	69	51.3 Å²	51.3	26%	0.26	28%	0.28	S	S	.	.	S	Bend	trans	-143.4	145.9	-177.8	-65.3	168.2	47.8	168	-5.7	111	R755 F766 F775 D779 H780 L781	R755-R777 HydrophobicContact CG-CG 4.22Å; F766-R777 VanDerWaalsContact CD2-CA 3.47Å; F775-R777 WeakPolarHBondContact CB-O 3.12Å; F775-R777 PolarHBondContact O-N 2.87Å; R777-D779 VanDerWaalsContact CB-OD1 3.28Å; R777-D779 WeakPolarHBondContact CB-OD1 3.32Å; R777-D779 IonicContact CZ-OD1 3.67Å; R777-D779 VanDerWaalsContact CZ-OD1 3.31Å; R777-D779 IonicContact CZ-OD2 3.31Å; R777-D779 IonicContact NE-OD1 2.65Å; R777-D779 PolarHBondContact NE-OD1 3.05Å; R777-D779 IonicContact NE-OD2 2.81Å; R777-D779 IonicContact NH2-OD1 3.6Å; R777-D779 PolarHBondContact NH2-OD1 3.35Å; R777-D779 IonicContact NH2-OD2 2.97Å; R777-D779 PolarHBondContact NH2-OD2 2.84Å; R777-H780 HydrophobicContact CB-CB 4.35Å; R777-H780 PolarHBondContact NE-CE1 3.45Å; R777-H780 PolarHBondContact O-N 3Å; R777-L781 PolarHBondContact O-N 2.69Å
778	S	87.7	Confident	89	Confident	56 Å²	56	52.5 Å²	52.5	39%	0.392	29%	0.285	S	S	.	.	H	α-helix	trans	-64.2	-39.2	179.2	49.2	0	0	0	0	113.1	F766 H780 L781 S782	F766-S778 VanDerWaalsContact CD2-N 3.29Å; S778-H780 VanDerWaalsContact C-N 3.29Å; S778-H780 PolarHBondContact O-N 3.1Å; S778-L781 WeakPolarHBondContact O-CB 3.43Å; S778-L781 PolarHBondContact O-N 3.43Å; S778-S782 PolarHBondContact O-N 3.5Å; S778-S782 PolarHBondContact O-OG 3.48Å
779	D	86.3	Confident	88.7	Confident	58 Å²	58	54.6 Å²	54.6	31%	0.31	30%	0.298	S	S	.	.	H	α-helix	trans	-67.3	-30.6	178.8	69	-73.8	0	0	0	112.7	R777 T783	R777-D779 VanDerWaalsContact CB-OD1 3.28Å; R777-D779 WeakPolarHBondContact CB-OD1 3.32Å; R777-D779 IonicContact CZ-OD1 3.67Å; R777-D779 VanDerWaalsContact CZ-OD1 3.31Å; R777-D779 IonicContact CZ-OD2 3.31Å; R777-D779 IonicContact NE-OD1 2.65Å; R777-D779 PolarHBondContact NE-OD1 3.05Å; R777-D779 IonicContact NE-OD2 2.81Å; R777-D779 IonicContact NH2-OD1 3.6Å; R777-D779 PolarHBondContact NH2-OD1 3.35Å; R777-D779 IonicContact NH2-OD2 2.97Å; R777-D779 PolarHBondContact NH2-OD2 2.84Å; D779-T783 WeakPolarHBondContact O-CB 3.37Å; D779-T783 WeakPolarHBondContact O-CG2 3.49Å; D779-T783 PolarHBondContact O-N 2.64Å; D779-T783 PolarHBondContact O-OG1 3.07Å
780	H	88.7	Confident	88.8	Confident	70 Å²	70	50.4 Å²	50.4	32%	0.324	28%	0.28	S	S	.	.	H	α-helix	trans	-70.7	-39	173.3	-65.1	3.7	0	0	0	110.9	F775 R777 S778 T783 H784	F775-H780 HydrophobicContact CB-CB 4.11Å; F775-H780 HydrophobicContact CD1-CB 3.81Å; F775-H780 HydrophobicContact CG-CB 4.22Å; R777-H780 HydrophobicContact CB-CB 4.35Å; R777-H780 PolarHBondContact NE-CE1 3.45Å; R777-H780 PolarHBondContact O-N 3Å; S778-H780 VanDerWaalsContact C-N 3.29Å; S778-H780 PolarHBondContact O-N 3.1Å; H780-T783 WeakPolarHBondContact CA-OG1 3.25Å; H780-T783 PolarHBondContact O-OG1 2.96Å; H780-H784 VanDerWaalsContact O-CB 3.29Å; H780-H784 WeakPolarHBondContact O-CB 3.39Å; H780-H784 PolarHBondContact O-N 3.24Å
781	L	91.5	Very high	88.6	Confident	22 Å²	22	48 Å²	48	12%	0.115	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-49.5	169.4	170.4	60.5	0	0	0	111.7	F766 E767 C768 F775 R777 S778 T783 H784 Q785	F766-L781 HydrophobicContact CB-CB 4.02Å; F766-L781 HydrophobicContact CB-CD2 3.9Å; E767-L781 WeakPolarHBondContact O-CD1 3.08Å; E767-L781 WeakPolarHBondContact O-CD2 2.24Å; C768-L781 HydrophobicContact CB-CD1 3.86Å; F775-L781 HydrophobicContact CB-CB 4.1Å; F775-L781 HydrophobicContact CD2-CB 3.83Å; F775-L781 HydrophobicContact CD2-CD1 3.89Å; F775-L781 HydrophobicContact CD2-CG 4.47Å; F775-L781 HydrophobicContact CE2-CD1 4.22Å; F775-L781 HydrophobicContact CG-CB 4.11Å; R777-L781 PolarHBondContact O-N 2.69Å; S778-L781 WeakPolarHBondContact O-CB 3.43Å; S778-L781 PolarHBondContact O-N 3.43Å; L781-T783 VanDerWaalsContact C-N 3.32Å; L781-T783 PolarHBondContact O-N 2.89Å; L781-H784 CarbonylContact O-C 3.3Å; L781-H784 PolarHBondContact O-N 3.23Å; L781-H784 VanDerWaalsContact O-N 3.15Å; L781-Q785 HydrophobicContact CD1-CG 3.98Å; L781-Q785 HydrophobicContact CG-CG 4.46Å; L781-Q785 WeakPolarHBondContact O-CG 3.45Å; L781-Q785 PolarHBondContact O-N 2.59Å
782	S	87.1	Confident	88.5	Confident	59 Å²	59	50.9 Å²	50.9	41%	0.413	27%	0.269	S	S	.	.	H	α-helix	trans	-66.8	-29.6	-178.2	-61.1	0	0	0	0	113.7	S778	S778-S782 PolarHBondContact O-N 3.5Å; S778-S782 PolarHBondContact O-OG 3.48Å
783	T	89.1	Confident	88.3	Confident	42 Å²	42	50.6 Å²	50.6	26%	0.258	27%	0.265	S	S	.	.	H	α-helix	trans	-78.4	-30	172.1	48.5	0	0	0	0	112.6	D779 H780 L781 R805	D779-T783 WeakPolarHBondContact O-CB 3.37Å; D779-T783 WeakPolarHBondContact O-CG2 3.49Å; D779-T783 PolarHBondContact O-N 2.64Å; D779-T783 PolarHBondContact O-OG1 3.07Å; H780-T783 WeakPolarHBondContact CA-OG1 3.25Å; H780-T783 PolarHBondContact O-OG1 2.96Å; L781-T783 VanDerWaalsContact C-N 3.32Å; L781-T783 PolarHBondContact O-N 2.89Å; T783-R805 HydrophobicContact CG2-CG 4.29Å
784	H	90.1	Very high	88.4	Confident	31 Å²	31	47 Å²	47	14%	0.144	25%	0.247	C	C	.	.	H	α-helix	trans	-69.7	-37.9	168.7	167	67.8	0	0	0	112.8	C768 C771 F775 H780 L781 R786 T787 H788	C768-H784 WeakPolarHBondContact CB-NE2 3.22Å; C768-H784 VanDerWaalsContact SG-CD2 3.6Å; C768-H784 PolarHBondContact SG-NE2 2.9Å; C768-H784 VanDerWaalsContact SG-NE2 3.38Å; C771-H784 PolarHBondContact SG-NE2 3.34Å; F775-H784 HydrophobicContact CE1-CB 3.92Å; F775-H784 HydrophobicContact CE2-CB 3.81Å; F775-H784 AromaticContact CE2-CD2 3.24Å; F775-H784 WeakPolarHBondContact CE2-CD2 3.46Å; F775-H784 AromaticContact CE2-CG 3.56Å; F775-H784 AromaticContact CE2-NE2 3.97Å; F775-H784 HydrophobicContact CZ-CB 3.42Å; F775-H784 VanDerWaalsContact CZ-CB 3.42Å; F775-H784 AromaticContact CZ-CD2 3.43Å; F775-H784 VanDerWaalsContact CZ-CD2 3.43Å; F775-H784 WeakPolarHBondContact CZ-CD2 3.18Å; F775-H784 AromaticContact CZ-CG 3.24Å; F775-H784 AromaticContact CZ-ND1 3.82Å; H780-H784 VanDerWaalsContact O-CB 3.29Å; H780-H784 WeakPolarHBondContact O-CB 3.39Å; H780-H784 PolarHBondContact O-N 3.24Å; L781-H784 CarbonylContact O-C 3.3Å; L781-H784 PolarHBondContact O-N 3.23Å; L781-H784 VanDerWaalsContact O-N 3.15Å; H784-R786 PolarHBondContact O-N 2.79Å; H784-T787 PolarHBondContact ND1-OG1 3.48Å; H784-T787 WeakPolarHBondContact O-CB 3.43Å; H784-T787 PolarHBondContact O-N 3.11Å; H784-T787 PolarHBondContact O-OG1 3.02Å; H784-H788 AromaticContact CD2-NE2 3.2Å; H784-H788 PolarHBondContact CD2-NE2 3.5Å; H784-H788 AromaticContact CE1-NE2 2.53Å; H784-H788 PolarHBondContact CE1-NE2 3.24Å; H784-H788 AromaticContact CG-NE2 3.96Å; H784-H788 AromaticContact ND1-NE2 3.63Å; H784-H788 AromaticContact NE2-CD2 3.76Å; H784-H788 AromaticContact NE2-NE2 2.11Å; H784-H788 PolarHBondContact NE2-NE2 3.48Å
785	Q	87.7	Confident	88.2	Confident	62 Å²	62	50.3 Å²	50.3	29%	0.29	26%	0.262	S	S	.	.	H	α-helix	trans	-57.7	-26	176.5	-77.1	171.4	-44.3	0	0	112.8	L781 T787 H788 T789	L781-Q785 HydrophobicContact CD1-CG 3.98Å; L781-Q785 HydrophobicContact CG-CG 4.46Å; L781-Q785 WeakPolarHBondContact O-CG 3.45Å; L781-Q785 PolarHBondContact O-N 2.59Å; Q785-T787 VanDerWaalsContact C-N 3.27Å; Q785-T787 PolarHBondContact O-N 2.64Å; Q785-H788 PolarHBondContact O-N 2.8Å; Q785-H788 VanDerWaalsContact O-N 3.15Å; Q785-T789 PolarHBondContact O-N 3.04Å; Q785-T789 VanDerWaalsContact O-N 3.11Å; Q785-T789 PolarHBondContact O-OG1 3.24Å
786	R	91.4	Very high	88.1	Confident	55 Å²	55	48.7 Å²	48.7	21%	0.208	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.7	172.3	-61.6	178.9	-174.1	164.8	3.4	114.3	H784 H788 G790 Q791 S804	H784-R786 PolarHBondContact O-N 2.79Å; R786-H788 VanDerWaalsContact C-N 3.3Å; R786-G790 CarbonylContact O-C 3.56Å; R786-G790 PolarHBondContact O-N 3.3Å; R786-Q791 HydrophobicContact CB-CB 4.27Å; R786-Q791 HydrophobicContact CG-CB 4.15Å; R786-Q791 PolarHBondContact O-N 2.95Å; R786-S804 VanDerWaalsContact CD-O 3.31Å; R786-S804 WeakPolarHBondContact CD-O 3.35Å; R786-S804 PolarHBondContact NH1-O 3.31Å
787	T	89	Confident	87.9	Confident	76 Å²	76	50.3 Å²	50.3	47%	0.466	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-12.3	171.4	72.7	0	0	0	0	112.6	P348 H784 Q785	P348-T787 WeakPolarHBondContact CG-O 3.48Å; H784-T787 PolarHBondContact ND1-OG1 3.48Å; H784-T787 WeakPolarHBondContact O-CB 3.43Å; H784-T787 PolarHBondContact O-N 3.11Å; H784-T787 PolarHBondContact O-OG1 3.02Å; Q785-T787 VanDerWaalsContact C-N 3.27Å; Q785-T787 PolarHBondContact O-N 2.64Å
788	H	89.2	Confident	87.7	Confident	50 Å²	50	51.5 Å²	51.5	23%	0.231	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-42	169.6	-62	-64.9	0	0	0	111.6	P348 C768 I770 C771 H784 Q785 R786 G790	P348-H788 WeakPolarHBondContact CB-O 3.07Å; C768-H788 VanDerWaalsContact SG-CD2 3.56Å; C768-H788 PolarHBondContact SG-NE2 3Å; I770-H788 HydrophobicContact CD1-CB 3.59Å; I770-H788 HydrophobicContact CG2-CB 4.23Å; C771-H788 WeakPolarHBondContact CB-CE1 2.26Å; C771-H788 PolarHBondContact SG-CE1 3.2Å; C771-H788 PolarHBondContact SG-NE2 2.72Å; H784-H788 AromaticContact CD2-NE2 3.2Å; H784-H788 PolarHBondContact CD2-NE2 3.5Å; H784-H788 AromaticContact CE1-NE2 2.53Å; H784-H788 PolarHBondContact CE1-NE2 3.24Å; H784-H788 AromaticContact CG-NE2 3.96Å; H784-H788 AromaticContact ND1-NE2 3.63Å; H784-H788 AromaticContact NE2-CD2 3.76Å; H784-H788 AromaticContact NE2-NE2 2.11Å; H784-H788 PolarHBondContact NE2-NE2 3.48Å; Q785-H788 PolarHBondContact O-N 2.8Å; Q785-H788 VanDerWaalsContact O-N 3.15Å; R786-H788 VanDerWaalsContact C-N 3.3Å; H788-G790 VanDerWaalsContact C-N 3.25Å; H788-G790 PolarHBondContact O-N 3.36Å
789	T	86	Confident	87.7	Confident	44 Å²	44	51.1 Å²	51.1	27%	0.27	27%	0.274	S	S	.	.	S	Bend	trans	-82.3	2.7	-179.6	61.3	0	0	0	0	114.3	Q785 Q791 Y846	Q785-T789 PolarHBondContact O-N 3.04Å; Q785-T789 VanDerWaalsContact O-N 3.11Å; Q785-T789 PolarHBondContact O-OG1 3.24Å; T789-Q791 PolarHBondContact O-N 3.14Å; T789-Q791 WeakPolarHBondContact OG1-CG 3.43Å; T789-Y846 HydrophobicContact CG2-CE2 4.1Å
790	G	88.5	Confident	87.7	Confident	38 Å²	38	57.8 Å²	57.8	39%	0.392	30%	0.296	S	S	.	.			trans	62.7	3.4	-175.6	0	0	0	0	0	115.3	R786 H788 R792	R786-G790 CarbonylContact O-C 3.56Å; R786-G790 PolarHBondContact O-N 3.3Å; H788-G790 VanDerWaalsContact C-N 3.25Å; H788-G790 PolarHBondContact O-N 3.36Å; G790-R792 PolarHBondContact O-N 2.98Å
791	Q	84.2	Confident	87.7	Confident	50 Å²	50	57.3 Å²	57.3	23%	0.234	29%	0.292	C	S	.	.			trans	-66.1	117.5	-167.4	-79.4	-178.5	-4.4	0	0	113.1	R786 T789 P793 S804 S844	R786-Q791 HydrophobicContact CB-CB 4.27Å; R786-Q791 HydrophobicContact CG-CB 4.15Å; R786-Q791 PolarHBondContact O-N 2.95Å; T789-Q791 PolarHBondContact O-N 3.14Å; T789-Q791 WeakPolarHBondContact OG1-CG 3.43Å; Q791-P793 VanDerWaalsContact O-CD 3.25Å; Q791-P793 WeakPolarHBondContact O-CD 3.47Å; Q791-S804 WeakPolarHBondContact O-CA 3.37Å; Q791-S804 WeakPolarHBondContact O-CB 3.16Å; Q791-S844 PolarHBondContact NE2-OG 3.35Å
792	R	89	Confident	87.5	Confident	118 Å²	118	57.8 Å²	57.8	45%	0.445	30%	0.297	S	S	.	.			trans	-116.6	63.8	176	-64	167.7	76.5	142.1	5.3	111.2	G790 Y794 S802 A803	G790-R792 PolarHBondContact O-N 2.98Å; R792-Y794 PolarHBondContact O-N 3.25Å; R792-Y794 VanDerWaalsContact O-N 3.16Å; R792-S802 WeakPolarHBondContact CB-OG 3.23Å; R792-S802 PolarHBondContact NE-O 2.82Å; R792-S802 PolarHBondContact NE-OG 3.19Å; R792-S802 PolarHBondContact NH2-O 2.97Å; R792-A803 CarbonylContact C-O 3.11Å; R792-A803 VanDerWaalsContact CA-O 3.27Å; R792-A803 WeakPolarHBondContact CA-O 3.33Å
793	P	85	Confident	87.5	Confident	10 Å²	10	55.2 Å²	55.2	7%	0.065	28%	0.279	C	S	.	.			trans	-74.5	-4.6	-166.3	33.2	-38.6	0	0	0	114.7	Q791 F840 S841	Q791-P793 VanDerWaalsContact O-CD 3.25Å; Q791-P793 WeakPolarHBondContact O-CD 3.47Å; P793-F840 HydrophobicContact CB-CD2 4.27Å; P793-F840 HydrophobicContact CB-CE1 4.38Å; P793-F840 HydrophobicContact CB-CE2 3.71Å; P793-F840 HydrophobicContact CB-CZ 3.78Å; P793-F840 HydrophobicContact CG-CE2 4Å; P793-F840 HydrophobicContact CG-CZ 4.24Å; P793-F840 CarbonylContact O-C 3.59Å; P793-F840 VanDerWaalsContact O-CA 3.3Å; P793-F840 WeakPolarHBondContact O-CA 3.04Å; P793-F840 WeakPolarHBondContact O-CD2 3.49Å; P793-S841 WeakPolarHBondContact CB-O 3.49Å; P793-S841 PolarHBondContact O-N 3.37Å
794	Y	89.3	Confident	87.5	Confident	26 Å²	26	54.9 Å²	54.9	10%	0.102	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	107.1	176.8	-54.4	-79.2	0	0	0	110.7	R792 S802 A803 R805 R806 I809 I838 F840	R792-Y794 PolarHBondContact O-N 3.25Å; R792-Y794 VanDerWaalsContact O-N 3.16Å; Y794-S802 CarbonylContact O-C 3.51Å; Y794-S802 VanDerWaalsContact O-CA 3.24Å; Y794-S802 WeakPolarHBondContact O-CA 3.37Å; Y794-A803 WeakPolarHBondContact CD2-O 3.34Å; Y794-A803 PolarHBondContact N-O 2.95Å; Y794-A803 VanDerWaalsContact N-O 3.1Å; Y794-A803 PolarHBondContact O-N 2.81Å; Y794-R805 VanDerWaalsContact CE2-C 3.4Å; Y794-R806 HydrophobicContact CD1-CB 4.37Å; Y794-R806 HydrophobicContact CE1-CB 3.92Å; Y794-R806 HydrophobicContact CE2-CB 4.32Å; Y794-R806 VanDerWaalsContact CE2-N 3.32Å; Y794-I809 HydrophobicContact CD1-CG2 4.39Å; Y794-I809 HydrophobicContact CG-CG2 4.11Å; Y794-I838 HydrophobicContact CD1-CG2 4.35Å; Y794-F840 AromaticContact CD1-CD2 3.83Å; Y794-F840 HydrophobicContact CD1-CD2 3.83Å; Y794-F840 HydrophobicContact CD1-CE2 4.15Å; Y794-F840 AromaticContact CE1-CD2 3.7Å; Y794-F840 HydrophobicContact CE1-CD2 3.7Å; Y794-F840 AromaticContact CE1-CE2 3.68Å; Y794-F840 HydrophobicContact CE1-CE2 3.68Å; Y794-F840 AromaticContact CZ-CE2 3.96Å
795	Q	86.3	Confident	87.4	Confident	74 Å²	74	58.4 Å²	58.4	35%	0.346	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	141.7	-177.6	-175.1	178.7	-6	0	0	111.1	N839	Q795-N839 HydrophobicContact CB-CB 4.32Å; Q795-N839 PolarHBondContact N-O 3.35Å; Q795-N839 PolarHBondContact O-N 3.4Å
796	C	88.2	Confident	87.3	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.014	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	138	170.4	-176.6	0	0	0	0	110.3	L798 C799 Y801 I809 H812 L813 H816	C796-L798 VanDerWaalsContact C-N 3.34Å; C796-L798 PolarHBondContact SG-N 2.95Å; C796-C799 WeakPolarHBondContact CB-O 3.41Å; C796-Y801 PolarHBondContact N-O 3Å; C796-I809 HydrophobicContact CB-CD1 3.81Å; C796-H812 PolarHBondContact SG-NE2 2.77Å; C796-H812 VanDerWaalsContact SG-NE2 3.44Å; C796-L813 VanDerWaalsContact SG-CD2 3.56Å; C796-H816 PolarHBondContact SG-NE2 3.21Å
797	S	82.8	Confident	87	Confident	44 Å²	44	60.5 Å²	60.5	31%	0.308	30%	0.301	S	S	.	.	S	Bend	trans	-76.7	-19.7	172.6	58.1	0	0	0	0	113.9	T837	S797-T837 WeakPolarHBondContact CB-OG1 3.28Å; S797-T837 PolarHBondContact OG-O 3.39Å; S797-T837 VanDerWaalsContact OG-O 3.05Å; S797-T837 PolarHBondContact OG-OG1 3.3Å
798	L	85	Confident	87	Confident	95 Å²	95	59.3 Å²	59.3	50%	0.497	29%	0.291	S	S	.	.	S	Bend	trans	-99.6	-7.9	-177.4	-59.4	-176.5	0	0	0	114.5	C796 H816 F836	C796-L798 VanDerWaalsContact C-N 3.34Å; C796-L798 PolarHBondContact SG-N 2.95Å; L798-H816 HydrophobicContact CD1-CB 3.72Å; L798-F836 HydrophobicContact CD1-CD1 3.49Å; L798-F836 VanDerWaalsContact CD1-CD1 3.49Å; L798-F836 HydrophobicContact CD1-CE1 3.54Å
799	C	88.5	Confident	87	Confident	47 Å²	47	56.9 Å²	56.9	32%	0.318	28%	0.28	S	S	.	.	S	Bend	trans	-163	168.8	170.6	75	0	0	0	0	112	C796 Y801 H812	C796-C799 WeakPolarHBondContact CB-O 3.41Å; C799-Y801 PolarHBondContact O-N 3.13Å; C799-H812 PolarHBondContact SG-CE1 2.88Å; C799-H812 PolarHBondContact SG-NE2 3.04Å
800	Y	86.4	Confident	87.1	Confident	199 Å²	199	57.8 Å²	57.8	78%	0.78	29%	0.285	S	S	*	.	S	Bend	trans	-70	14.7	-178.3	-52.8	-79.7	0	0	0	116	S802	Y800-S802 PolarHBondContact O-N 2.74Å
801	Y	88.3	Confident	86.7	Confident	59 Å²	59	62.4 Å²	62.4	23%	0.231	29%	0.291	C	S	.	.			trans	-75.8	123.6	176.9	-179	-96	0	0	0	111.2	C796 C799 A803 I809 H812	C796-Y801 PolarHBondContact N-O 3Å; C799-Y801 PolarHBondContact O-N 3.13Å; Y801-A803 HydrophobicContact CE1-CB 4.04Å; Y801-I809 HydrophobicContact CD1-CD1 3.9Å; Y801-I809 HydrophobicContact CE1-CD1 4.33Å; Y801-H812 VanDerWaalsContact CB-CE1 3.44Å; Y801-H812 WeakPolarHBondContact CB-CE1 3.47Å; Y801-H812 HydrophobicContact CD1-CB 3.77Å; Y801-H812 AromaticContact CD1-CD2 3.78Å; Y801-H812 AromaticContact CD1-CE1 3.9Å; Y801-H812 AromaticContact CD1-CG 3.36Å; Y801-H812 AromaticContact CD1-ND1 3.45Å; Y801-H812 WeakPolarHBondContact CD1-ND1 3.47Å; Y801-H812 HydrophobicContact CE1-CB 3.69Å; Y801-H812 AromaticContact CE1-CG 3.81Å; Y801-H812 AromaticContact CG-CE1 3.7Å; Y801-H812 AromaticContact CG-CG 3.96Å; Y801-H812 AromaticContact CG-ND1 3.55Å
802	S	86.6	Confident	86.9	Confident	32 Å²	32	61.4 Å²	61.4	22%	0.224	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150.6	172.8	68.3	0	0	0	0	112.2	R792 Y794 Y800	R792-S802 WeakPolarHBondContact CB-OG 3.23Å; R792-S802 PolarHBondContact NE-O 2.82Å; R792-S802 PolarHBondContact NE-OG 3.19Å; R792-S802 PolarHBondContact NH2-O 2.97Å; Y794-S802 CarbonylContact O-C 3.51Å; Y794-S802 VanDerWaalsContact O-CA 3.24Å; Y794-S802 WeakPolarHBondContact O-CA 3.37Å; Y800-S802 PolarHBondContact O-N 2.74Å
803	A	87.1	Confident	86.7	Confident	5 Å²	5	56.4 Å²	56.4	4%	0.041	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	153.1	-178.8	0	0	0	0	0	112.8	R792 Y794 Y801 M808	R792-A803 CarbonylContact C-O 3.11Å; R792-A803 VanDerWaalsContact CA-O 3.27Å; R792-A803 WeakPolarHBondContact CA-O 3.33Å; Y794-A803 WeakPolarHBondContact CD2-O 3.34Å; Y794-A803 PolarHBondContact N-O 2.95Å; Y794-A803 VanDerWaalsContact N-O 3.1Å; Y794-A803 PolarHBondContact O-N 2.81Å; Y801-A803 HydrophobicContact CE1-CB 4.04Å; A803-M808 HydrophobicContact CB-CB 3.83Å
804	S	88.3	Confident	86.7	Confident	35 Å²	35	58.7 Å²	58.7	25%	0.245	28%	0.275	C	S	.	.	S	Bend	trans	-78.3	-15.8	175.7	55.3	0	0	0	0	114.1	R786 Q791	R786-S804 VanDerWaalsContact CD-O 3.31Å; R786-S804 WeakPolarHBondContact CD-O 3.35Å; R786-S804 PolarHBondContact NH1-O 3.31Å; Q791-S804 WeakPolarHBondContact O-CA 3.37Å; Q791-S804 WeakPolarHBondContact O-CB 3.16Å
805	R	88.9	Confident	86.6	Confident	106 Å²	106	60.7 Å²	60.7	40%	0.4	29%	0.29	S	S	.	.	S	Bend	trans	-132.7	149	-176.3	-63.9	161.5	47.3	150.8	-7.8	112.6	T783 Y794 D807 M808	T783-R805 HydrophobicContact CG2-CG 4.29Å; Y794-R805 VanDerWaalsContact CE2-C 3.4Å; R805-D807 WeakPolarHBondContact CB-OD1 3.24Å; R805-D807 IonicContact CZ-OD1 3.81Å; R805-D807 IonicContact CZ-OD2 2.64Å; R805-D807 IonicContact NE-OD1 2.71Å; R805-D807 PolarHBondContact NE-OD1 3.01Å; R805-D807 IonicContact NE-OD2 2.82Å; R805-D807 IonicContact NH2-OD1 2.75Å; R805-D807 PolarHBondContact NH2-OD1 3.13Å; R805-D807 IonicContact NH2-OD2 3.58Å; R805-D807 PolarHBondContact NH2-OD2 2.84Å; R805-M808 HydrophobicContact CB-CG 4.22Å; R805-M808 PolarHBondContact O-N 3.08Å
806	R	86.3	Confident	86.5	Confident	90 Å²	90	58.6 Å²	58.6	34%	0.34	28%	0.28	S	S	.	.	H	α-helix	trans	-66	-40	-178.4	176.5	171.3	-80.4	174.9	-6.4	113.1	Y794 M808 I809 T810 D864	Y794-R806 HydrophobicContact CD1-CB 4.37Å; Y794-R806 HydrophobicContact CE1-CB 3.92Å; Y794-R806 HydrophobicContact CE2-CB 4.32Å; Y794-R806 VanDerWaalsContact CE2-N 3.32Å; R806-M808 VanDerWaalsContact C-N 3.28Å; R806-M808 PolarHBondContact O-N 2.82Å; R806-I809 WeakPolarHBondContact O-CG2 3.46Å; R806-I809 PolarHBondContact O-N 2.65Å; R806-T810 PolarHBondContact O-N 2.78Å; R806-T810 PolarHBondContact O-OG1 3.13Å; R806-T810 VanDerWaalsContact O-OG1 3.08Å; R806-D864 IonicContact CZ-OD2 3.49Å; R806-D864 IonicContact NH1-OD2 2.64Å; R806-D864 IonicContact NH2-OD2 3.37Å; R806-D864 PolarHBondContact NH2-OD2 2.87Å
807	D	84.2	Confident	85.7	Confident	71 Å²	71	62.6 Å²	62.6	38%	0.38	30%	0.299	S	S	.	.	H	α-helix	trans	-63.2	-35.2	179.6	66.4	-45.5	0	0	0	112.5	R805 T810 R811	R805-D807 WeakPolarHBondContact CB-OD1 3.24Å; R805-D807 IonicContact CZ-OD1 3.81Å; R805-D807 IonicContact CZ-OD2 2.64Å; R805-D807 IonicContact NE-OD1 2.71Å; R805-D807 PolarHBondContact NE-OD1 3.01Å; R805-D807 IonicContact NE-OD2 2.82Å; R805-D807 IonicContact NH2-OD1 2.75Å; R805-D807 PolarHBondContact NH2-OD1 3.13Å; R805-D807 IonicContact NH2-OD2 3.58Å; R805-D807 PolarHBondContact NH2-OD2 2.84Å; D807-T810 PolarHBondContact O-N 2.86Å; D807-R811 WeakPolarHBondContact O-CB 3.47Å; D807-R811 PolarHBondContact O-N 3.13Å
808	M	89.8	Confident	84.8	Confident	50 Å²	50	64 Å²	64	25%	0.246	30%	0.297	C	S	.	.	H	α-helix	trans	-67.6	-41.5	177.5	-64.2	-61.6	164.6	0	0	112.4	A803 R805 R806 R811 H812	A803-M808 HydrophobicContact CB-CB 3.83Å; R805-M808 HydrophobicContact CB-CG 4.22Å; R805-M808 PolarHBondContact O-N 3.08Å; R806-M808 VanDerWaalsContact C-N 3.28Å; R806-M808 PolarHBondContact O-N 2.82Å; M808-R811 PolarHBondContact O-N 2.87Å; M808-R811 PolarHBondContact SD-NH2 2.67Å; M808-H812 WeakPolarHBondContact O-CB 3.36Å; M808-H812 PolarHBondContact O-N 3.28Å
809	I	89.5	Confident	83.4	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-70	-36.5	174.3	-168.3	62.7	0	0	0	111.9	Y794 C796 Y801 R806 R811 H812 L813 I838	Y794-I809 HydrophobicContact CD1-CG2 4.39Å; Y794-I809 HydrophobicContact CG-CG2 4.11Å; C796-I809 HydrophobicContact CB-CD1 3.81Å; Y801-I809 HydrophobicContact CD1-CD1 3.9Å; Y801-I809 HydrophobicContact CE1-CD1 4.33Å; R806-I809 WeakPolarHBondContact O-CG2 3.46Å; R806-I809 PolarHBondContact O-N 2.65Å; I809-R811 VanDerWaalsContact C-N 3.34Å; I809-R811 PolarHBondContact O-N 2.87Å; I809-H812 HydrophobicContact CD1-CB 4.33Å; I809-H812 CarbonylContact O-C 3.59Å; I809-H812 WeakPolarHBondContact O-CB 3.14Å; I809-H812 PolarHBondContact O-N 3.33Å; I809-H812 VanDerWaalsContact O-N 3.14Å; I809-L813 PolarHBondContact O-N 3.44Å; I809-I838 HydrophobicContact CG1-CG1 4.27Å; I809-I838 HydrophobicContact CG1-CG2 4.15Å; I809-I838 HydrophobicContact CG2-CD1 3.89Å; I809-I838 HydrophobicContact CG2-CG1 4.27Å; I809-I838 HydrophobicContact CG2-CG2 3.92Å
810	T	87.6	Confident	81.4	Confident	62 Å²	62	65.8 Å²	65.8	38%	0.38	31%	0.309	S	S	.	.	H	α-helix	trans	-67.4	-33.1	175.4	-59.4	0	0	0	0	112.1	R806 D807 R814	R806-T810 PolarHBondContact O-N 2.78Å; R806-T810 PolarHBondContact O-OG1 3.13Å; R806-T810 VanDerWaalsContact O-OG1 3.08Å; D807-T810 PolarHBondContact O-N 2.86Å; T810-R814 PolarHBondContact O-NE 2.95Å
811	R	80.5	Confident	79.2	Confident	135 Å²	135	63.7 Å²	63.7	51%	0.509	31%	0.306	S	S	.	.	H	α-helix	trans	-66.8	-42.4	168.3	-174.8	167.2	62	119.1	-4.2	111.5	D807 M808 I809 R814	D807-R811 WeakPolarHBondContact O-CB 3.47Å; D807-R811 PolarHBondContact O-N 3.13Å; M808-R811 PolarHBondContact O-N 2.87Å; M808-R811 PolarHBondContact SD-NH2 2.67Å; I809-R811 VanDerWaalsContact C-N 3.34Å; I809-R811 PolarHBondContact O-N 2.87Å; R811-R814 PolarHBondContact O-N 2.9Å
812	H	87.9	Confident	76.9	Confident	30 Å²	30	62.7 Å²	62.7	14%	0.139	30%	0.304	C	S	.	.	H	α-helix	trans	-63.5	-42.1	176.7	171.8	86.4	0	0	0	113.4	C796 C799 Y801 M808 I809 R814 V815 H816	C796-H812 PolarHBondContact SG-NE2 2.77Å; C796-H812 VanDerWaalsContact SG-NE2 3.44Å; C799-H812 PolarHBondContact SG-CE1 2.88Å; C799-H812 PolarHBondContact SG-NE2 3.04Å; Y801-H812 VanDerWaalsContact CB-CE1 3.44Å; Y801-H812 WeakPolarHBondContact CB-CE1 3.47Å; Y801-H812 HydrophobicContact CD1-CB 3.77Å; Y801-H812 AromaticContact CD1-CD2 3.78Å; Y801-H812 AromaticContact CD1-CE1 3.9Å; Y801-H812 AromaticContact CD1-CG 3.36Å; Y801-H812 AromaticContact CD1-ND1 3.45Å; Y801-H812 WeakPolarHBondContact CD1-ND1 3.47Å; Y801-H812 HydrophobicContact CE1-CB 3.69Å; Y801-H812 AromaticContact CE1-CG 3.81Å; Y801-H812 AromaticContact CG-CE1 3.7Å; Y801-H812 AromaticContact CG-CG 3.96Å; Y801-H812 AromaticContact CG-ND1 3.55Å; M808-H812 WeakPolarHBondContact O-CB 3.36Å; M808-H812 PolarHBondContact O-N 3.28Å; I809-H812 HydrophobicContact CD1-CB 4.33Å; I809-H812 CarbonylContact O-C 3.59Å; I809-H812 WeakPolarHBondContact O-CB 3.14Å; I809-H812 PolarHBondContact O-N 3.33Å; I809-H812 VanDerWaalsContact O-N 3.14Å; H812-R814 PolarHBondContact O-N 3.13Å; H812-R814 VanDerWaalsContact O-N 3.13Å; H812-V815 VanDerWaalsContact O-CB 3.25Å; H812-V815 WeakPolarHBondContact O-CB 3.28Å; H812-V815 WeakPolarHBondContact O-CG2 3.35Å; H812-V815 PolarHBondContact O-N 3.25Å; H812-H816 AromaticContact CD2-NE2 3.75Å; H812-H816 AromaticContact CE1-NE2 3.69Å; H812-H816 AromaticContact NE2-CD2 3.8Å; H812-H816 AromaticContact NE2-CE1 3.9Å; H812-H816 AromaticContact NE2-NE2 2.95Å; H812-H816 PolarHBondContact NE2-NE2 3.45Å
813	L	83.9	Confident	74.5	Confident	12 Å²	12	66.2 Å²	66.2	6%	0.063	32%	0.324	C	S	.	.	H	α-helix	trans	-60.5	-26.2	-179	-74	-173.1	0	0	0	114	C796 I809 V815 H816 Q817 F836 I838	C796-L813 VanDerWaalsContact SG-CD2 3.56Å; I809-L813 PolarHBondContact O-N 3.44Å; L813-V815 PolarHBondContact O-N 3.36Å; L813-H816 PolarHBondContact O-N 3.41Å; L813-H816 VanDerWaalsContact O-N 3.15Å; L813-Q817 PolarHBondContact O-N 2.78Å; L813-F836 HydrophobicContact CD1-CB 4.23Å; L813-I838 HydrophobicContact CD1-CD1 4.15Å; L813-I838 HydrophobicContact CD1-CG1 3.46Å; L813-I838 VanDerWaalsContact CD1-CG1 3.46Å; L813-I838 HydrophobicContact CG-CG1 4.45Å
814	R	86.2	Confident	71.7	Confident	58 Å²	58	71 Å²	71	22%	0.219	36%	0.357	C	S	.	.	H	α-helix	trans	-64.2	-20.4	173.7	-74.4	177.6	-84.9	177.8	-5.8	113.6	S182 T810 R811 H812 R818	S182-R814 PolarHBondContact O-NH1 2.87Å; T810-R814 PolarHBondContact O-NE 2.95Å; R811-R814 PolarHBondContact O-N 2.9Å; H812-R814 PolarHBondContact O-N 3.13Å; H812-R814 VanDerWaalsContact O-N 3.13Å; R814-R818 PolarHBondContact O-N 2.95Å
815	V	86.3	Confident	68.9	Low	68 Å²	68	74.6 Å²	74.6	41%	0.412	38%	0.378	S	S	.	.	H	α-helix	trans	-67.2	-39.7	173.3	-177.9	0	0	0	0	110.8	H812 L813 K819	H812-V815 VanDerWaalsContact O-CB 3.25Å; H812-V815 WeakPolarHBondContact O-CB 3.28Å; H812-V815 WeakPolarHBondContact O-CG2 3.35Å; H812-V815 PolarHBondContact O-N 3.25Å; L813-V815 PolarHBondContact O-N 3.36Å; V815-K819 PolarHBondContact O-N 3.5Å
816	H	84.8	Confident	66.1	Low	31 Å²	31	76.6 Å²	76.6	14%	0.144	40%	0.397	C	S	.	.	H	α-helix	trans	-75.6	-33.4	178.2	-55.4	-62.3	0	0	0	112.3	C796 L798 H812 L813 R818 K819 G820 F836	C796-H816 PolarHBondContact SG-NE2 3.21Å; L798-H816 HydrophobicContact CD1-CB 3.72Å; H812-H816 AromaticContact CD2-NE2 3.75Å; H812-H816 AromaticContact CE1-NE2 3.69Å; H812-H816 AromaticContact NE2-CD2 3.8Å; H812-H816 AromaticContact NE2-CE1 3.9Å; H812-H816 AromaticContact NE2-NE2 2.95Å; H812-H816 PolarHBondContact NE2-NE2 3.45Å; L813-H816 PolarHBondContact O-N 3.41Å; L813-H816 VanDerWaalsContact O-N 3.15Å; H816-R818 VanDerWaalsContact C-N 3.27Å; H816-R818 PolarHBondContact O-N 3.45Å; H816-K819 PolarHBondContact O-N 3.06Å; H816-K819 VanDerWaalsContact O-N 3.14Å; H816-G820 PolarHBondContact O-N 3.04Å; H816-F836 HydrophobicContact CB-CD1 4.04Å; H816-F836 HydrophobicContact CB-CE1 3.59Å
817	Q	71.6	Confident	63.7	Low	85 Å²	85	80.8 Å²	80.8	40%	0.397	42%	0.42	S	S	.	.	H	α-helix	trans	-58.5	-36.8	175.4	-72.2	173.3	-11.4	0	0	112.7	L813 F836	L813-Q817 PolarHBondContact O-N 2.78Å; Q817-F836 HydrophobicContact CB-CZ 4.42Å; Q817-F836 HydrophobicContact CG-CD1 4.48Å; Q817-F836 HydrophobicContact CG-CD2 3.82Å; Q817-F836 HydrophobicContact CG-CE1 4.25Å; Q817-F836 HydrophobicContact CG-CE2 3.55Å; Q817-F836 HydrophobicContact CG-CG 4.3Å; Q817-F836 HydrophobicContact CG-CZ 3.78Å
818	R	63.2	Low	61.2	Low	73 Å²	73	83.2 Å²	83.2	28%	0.275	44%	0.443	S	S	.	.	H	α-helix	trans	-74.5	-32.7	175.6	-63.6	-176.4	-162	172.8	6	113.1	Q183 M185 R814 H816 G820 Q821	Q183-R818 PolarHBondContact O-NH2 3.3Å; M185-R818 PolarHBondContact O-NH1 3.01Å; R814-R818 PolarHBondContact O-N 2.95Å; H816-R818 VanDerWaalsContact C-N 3.27Å; H816-R818 PolarHBondContact O-N 3.45Å; R818-G820 PolarHBondContact O-N 2.87Å; R818-Q821 PolarHBondContact O-N 3.38Å
819	K	55.3	Low	58.3	Low	135 Å²	135	84.9 Å²	84.9	59%	0.587	47%	0.473	S	S	*	.	H	α-helix	trans	-63.9	-27.9	176	-76.7	-162.8	164.5	-147.1	0	113.4	V815 H816 Q821	V815-K819 PolarHBondContact O-N 3.5Å; H816-K819 PolarHBondContact O-N 3.06Å; H816-K819 VanDerWaalsContact O-N 3.14Å; K819-Q821 PolarHBondContact O-N 3.1Å
820	G	46.9	Very low	55.6	Low	46 Å²	46	87.6 Å²	87.6	47%	0.474	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-1.8	175.9	0	0	0	0	0	115.9	H816 R818	H816-G820 PolarHBondContact O-N 3.04Å; R818-G820 PolarHBondContact O-N 2.87Å
821	Q	41.1	Very low	52.9	Low	154 Å²	154	87.4 Å²	87.4	72%	0.72	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	8.9	178.5	-62.6	-174.5	-68.2	0	0	113.4	R818 K819	R818-Q821 PolarHBondContact O-N 3.38Å; K819-Q821 PolarHBondContact O-N 3.1Å
822	I	38.9	Very low	50.8	Low	38 Å²	38	88.5 Å²	88.5	20%	0.195	52%	0.521	C	S	.	.	S	Bend	trans	-108.8	-9.8	-165.2	-53.2	-179.8	0	0	0	112.2	G189 T190	G189-I822 WeakPolarHBondContact O-CG2 3.48Å; T190-I822 HydrophobicContact CG2-CG2 4.3Å; T190-I822 VanDerWaalsContact CG2-O 3.28Å; T190-I822 WeakPolarHBondContact CG2-O 3.18Å; T190-I822 PolarHBondContact OG1-O 3.33Å
823	V	37.1	Very low	48.3	Very low	106 Å²	106	93.6 Å²	93.6	64%	0.642	54%	0.542	S	S	*	.			trans	-100.4	98.7	171.1	-171.9	0	0	0	0	108.1	T190	T190-V823 HydrophobicContact CG2-CB 4.35Å; T190-V823 HydrophobicContact CG2-CG2 3.66Å
824	S	28.1	Very low	46.2	Very low	105 Å²	105	98.8 Å²	98.8	73%	0.734	57%	0.57	S	S	*	*			trans	-154	56.2	177.4	67.3	0	0	0	0	112.9
825	T	28	Very low	43.8	Very low	112 Å²	112	100.5 Å²	100.5	69%	0.687	58%	0.58	S	S	*	*			trans	-133.5	127.4	166	47.4	0	0	0	0	109
826	N	30	Very low	41.6	Very low	148 Å²	148	98.9 Å²	98.9	79%	0.791	57%	0.567	S	S	*	*	S	Bend	trans	78	152	167.7	-48.2	-11	0	0	0	116.9
827	E	35.9	Very low	39.8	Very low	178 Å²	178	99.7 Å²	99.7	83%	0.832	58%	0.575	S	S	*	*	S	Bend	trans	66.6	92.4	169	-62.8	179.3	-152.8	0	0	118.9	G829	E827-G829 PolarHBondContact O-N 2.81Å
828	S	33.7	Very low	38.8	Very low	121 Å²	121	98.2 Å²	98.2	85%	0.846	57%	0.569	S	S	*	*	S	Bend	trans	48.8	66	137.4	46.3	0	0	0	0	120
829	G	28.5	Very low	38.1	Very low	86 Å²	86	98 Å²	98	89%	0.887	57%	0.573	S	S	*	*			trans	73.1	44.9	135.5	0	0	0	0	0	118.8	E827	E827-G829 PolarHBondContact O-N 2.81Å
830	G	31.9	Very low	37.4	Very low	57 Å²	57	94.6 Å²	94.6	59%	0.588	56%	0.559	S	S	*	*			trans	-106.3	-11.1	-172.2	0	0	0	0	0	119.7	L832	G830-L832 PolarHBondContact O-N 3.38Å
831	A	32.1	Very low	37.4	Very low	58 Å²	58	94.6 Å²	94.6	48%	0.479	55%	0.551	S	S	.	*			trans	43.5	43.2	166.5	0	0	0	0	0	118.5	R32	R32-A831 WeakPolarHBondContact CD-O 3.46Å; R32-A831 HydrophobicContact CG-CB 4.28Å; R32-A831 WeakPolarHBondContact CG-O 3.42Å; R32-A831 PolarHBondContact NE-O 3.47Å; R32-A831 PolarHBondContact NH1-O 3.1Å
832	L	35	Very low	37.4	Very low	157 Å²	157	94.8 Å²	94.8	82%	0.822	55%	0.552	S	S	*	*			trans	-67.6	151.5	-173.7	-61.9	176.7	0	0	0	115.1	R32 G830	R32-L832 PolarHBondContact NH1-O 3.39Å; G830-L832 PolarHBondContact O-N 3.38Å
833	K	35.9	Very low	37.2	Very low	137 Å²	137	97 Å²	97	60%	0.596	57%	0.569	S	S	*	*			trans	-141.7	105.7	-179.6	-171.8	176.8	-177.5	179.1	0	111.3
834	L	39.1	Very low	37.1	Very low	122 Å²	122	95.9 Å²	95.9	64%	0.639	57%	0.566	S	S	*	*			trans	-78.5	146.3	-173.4	-66.5	169.8	0	0	0	113.7	F836	L834-F836 HydrophobicContact CB-CE2 3.92Å; L834-F836 HydrophobicContact CB-CZ 3.88Å; L834-F836 WeakPolarHBondContact O-CE2 3.49Å
835	H	37	Very low	37.1	Very low	94 Å²	94	100.5 Å²	100.5	44%	0.435	57%	0.573	S	S	.	*			trans	-105.5	148.8	174	-166.3	-77.2	0	0	0	110.5	S868	H835-S868 PolarHBondContact NE2-O 2.67Å
836	F	40.1	Very low	37.1	Very low	33 Å²	33	104.6 Å²	104.6	15%	0.145	58%	0.577	C	S	.	*			trans	-131.7	111.9	-173	-61.1	-88.1	0	0	0	110.9	L798 L813 H816 Q817 L834	L798-F836 HydrophobicContact CD1-CD1 3.49Å; L798-F836 VanDerWaalsContact CD1-CD1 3.49Å; L798-F836 HydrophobicContact CD1-CE1 3.54Å; L813-F836 HydrophobicContact CD1-CB 4.23Å; H816-F836 HydrophobicContact CB-CD1 4.04Å; H816-F836 HydrophobicContact CB-CE1 3.59Å; Q817-F836 HydrophobicContact CB-CZ 4.42Å; Q817-F836 HydrophobicContact CG-CD1 4.48Å; Q817-F836 HydrophobicContact CG-CD2 3.82Å; Q817-F836 HydrophobicContact CG-CE1 4.25Å; Q817-F836 HydrophobicContact CG-CE2 3.55Å; Q817-F836 HydrophobicContact CG-CG 4.3Å; Q817-F836 HydrophobicContact CG-CZ 3.78Å; L834-F836 HydrophobicContact CB-CE2 3.92Å; L834-F836 HydrophobicContact CB-CZ 3.88Å; L834-F836 WeakPolarHBondContact O-CE2 3.49Å
837	T	46.1	Very low	36.9	Very low	49 Å²	49	102.7 Å²	102.7	30%	0.301	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-90.9	144.1	178.7	27.1	0	0	0	0	113	S797	S797-T837 WeakPolarHBondContact CB-OG1 3.28Å; S797-T837 PolarHBondContact OG-O 3.39Å; S797-T837 VanDerWaalsContact OG-O 3.05Å; S797-T837 PolarHBondContact OG-OG1 3.3Å
838	I	50.9	Low	36.6	Very low	53 Å²	53	102.8 Å²	102.8	27%	0.272	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103	119.7	162.6	-61.7	171.4	0	0	0	105.8	Y794 I809 L813	Y794-I838 HydrophobicContact CD1-CG2 4.35Å; I809-I838 HydrophobicContact CG1-CG1 4.27Å; I809-I838 HydrophobicContact CG1-CG2 4.15Å; I809-I838 HydrophobicContact CG2-CD1 3.89Å; I809-I838 HydrophobicContact CG2-CG1 4.27Å; I809-I838 HydrophobicContact CG2-CG2 3.92Å; L813-I838 HydrophobicContact CD1-CD1 4.15Å; L813-I838 HydrophobicContact CD1-CG1 3.46Å; L813-I838 VanDerWaalsContact CD1-CG1 3.46Å; L813-I838 HydrophobicContact CG-CG1 4.45Å
839	N	47.7	Very low	36.4	Very low	68 Å²	68	105.5 Å²	105.5	36%	0.364	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.5	137.5	174.4	-68	-3.4	0	0	0	108.7	Q795	Q795-N839 HydrophobicContact CB-CB 4.32Å; Q795-N839 PolarHBondContact N-O 3.35Å; Q795-N839 PolarHBondContact O-N 3.4Å
840	F	41	Very low	36.5	Very low	65 Å²	65	109.6 Å²	109.6	29%	0.285	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.8	112.5	177.5	-169.3	-93.4	0	0	0	110.8	P793 Y794 P843	P793-F840 HydrophobicContact CB-CD2 4.27Å; P793-F840 HydrophobicContact CB-CE1 4.38Å; P793-F840 HydrophobicContact CB-CE2 3.71Å; P793-F840 HydrophobicContact CB-CZ 3.78Å; P793-F840 HydrophobicContact CG-CE2 4Å; P793-F840 HydrophobicContact CG-CZ 4.24Å; P793-F840 CarbonylContact O-C 3.59Å; P793-F840 VanDerWaalsContact O-CA 3.3Å; P793-F840 WeakPolarHBondContact O-CA 3.04Å; P793-F840 WeakPolarHBondContact O-CD2 3.49Å; Y794-F840 AromaticContact CD1-CD2 3.83Å; Y794-F840 HydrophobicContact CD1-CD2 3.83Å; Y794-F840 HydrophobicContact CD1-CE2 4.15Å; Y794-F840 AromaticContact CE1-CD2 3.7Å; Y794-F840 HydrophobicContact CE1-CD2 3.7Å; Y794-F840 AromaticContact CE1-CE2 3.68Å; Y794-F840 HydrophobicContact CE1-CE2 3.68Å; Y794-F840 AromaticContact CZ-CE2 3.96Å; F840-P843 HydrophobicContact CE1-CB 4.21Å; F840-P843 HydrophobicContact CE1-CG 4.05Å; F840-P843 HydrophobicContact CZ-CB 4.49Å
841	S	47	Very low	36.4	Very low	46 Å²	46	116.3 Å²	116.3	32%	0.322	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-74	132.6	172.4	-41.6	0	0	0	0	109.3	P793	P793-S841 WeakPolarHBondContact CB-O 3.49Å; P793-S841 PolarHBondContact O-N 3.37Å
842	Q	41.7	Very low	36.2	Very low	157 Å²	157	117 Å²	117	73%	0.734	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-51.8	144.4	-166.3	-70.9	-75.3	-8.2	0	0	114.8
843	P	35.3	Very low	35.8	Very low	84 Å²	84	117 Å²	117	55%	0.545	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-89.9	116.2	-179.3	33.7	-25.3	0	0	0	111.1	F840	F840-P843 HydrophobicContact CE1-CB 4.21Å; F840-P843 HydrophobicContact CE1-CG 4.05Å; F840-P843 HydrophobicContact CZ-CB 4.49Å
844	S	33.3	Very low	35.4	Very low	83 Å²	83	120.4 Å²	120.4	58%	0.58	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-77.2	144.9	174.5	56.3	0	0	0	0	112.4	Q791	Q791-S844 PolarHBondContact NE2-OG 3.35Å
845	K	29.8	Very low	34.7	Very low	202 Å²	202	119 Å²	119	88%	0.878	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-77.9	134	-167.8	-58.9	170.2	-176.1	170.6	0	112.1
846	Y	27.8	Very low	34.2	Very low	199 Å²	199	121 Å²	121	78%	0.78	62%	0.62	S	S	*	*			trans	-115.6	145.2	152.8	-82.9	-90.6	0	0	0	108.9	T789	T789-Y846 HydrophobicContact CG2-CE2 4.1Å
847	S	24.9	Very low	33.6	Very low	108 Å²	108	124 Å²	124	76%	0.755	65%	0.646	S	S	*	*			trans	-129.2	135.4	-167.3	-171.7	0	0	0	0	111.6
848	L	29.6	Very low	32.6	Very low	179 Å²	179	124.7 Å²	124.7	94%	0.937	65%	0.653	S	S	*	*			trans	-124.3	144.2	170.8	-87.6	155.9	0	0	0	108.2
849	K	29.2	Very low	31.3	Very low	178 Å²	178	127.7 Å²	127.7	77%	0.774	67%	0.669	S	S	*	*			trans	-111.9	169.6	-171.5	-74.7	-179.3	176.5	175.5	0	112
850	H	31	Very low	30.3	Very low	172 Å²	172	126.4 Å²	126.4	80%	0.796	66%	0.663	S	S	*	*			trans	87.1	148.4	165.7	-57.9	-98	0	0	0	118.2
851	K	30.9	Very low	29.5	Very low	199 Å²	199	130.2 Å²	130.2	87%	0.865	69%	0.686	S	S	*	*				-163.1	116.2	-55.8	-131.8	-171.6	175	-172.9	0	109.3
852	G	27.2	Very low	28.6	Very low	73 Å²	73	131.2 Å²	131.2	75%	0.753	69%	0.691	S	S	*	*			trans	83.1	143.5	-179.6	0	0	0	0	0	113
853	D	26.8	Very low	27.8	Very low	157 Å²	157	128.3 Å²	128.3	84%	0.84	68%	0.684	S	S	*	*			cis	-108.1	-179.3	3.7	-123	-43.5	0	0	0	115.1
854	R	27.2	Very low	27.4	Very low	208 Å²	208	126.2 Å²	126.2	79%	0.785	67%	0.668	S	S	*	*			trans	-99.7	152	-171.7	-40.5	173.7	-159.5	179	3.8	109.6
855	N	24.2	Very low	27.1	Very low	93 Å²	93	127.9 Å²	127.9	50%	0.497	67%	0.67	S	S	.	*			cis	-143.4	154.3	1.5	-86	-52	0	0	0	106.8
856	T	25.8	Very low	27	Very low	134 Å²	134	122.7 Å²	122.7	82%	0.822	65%	0.645	S	S	*	*				-158.2	102.2	72.1	34.2	0	0	0	0	111.5
857	S	27.9	Very low	27	Very low	97 Å²	97	116.3 Å²	116.3	68%	0.678	63%	0.63	S	S	*	*			trans	-79.6	127.7	178.2	-64.1	0	0	0	0	112
858	S	24.5	Very low	27.1	Very low	64 Å²	64	111.8 Å²	111.8	45%	0.448	60%	0.598	S	S	.	*			trans	-133.9	98.3	165.3	54.5	0	0	0	0	112.2	V860	S858-V860 PolarHBondContact O-N 2.88Å
859	L	25.2	Very low	27.1	Very low	116 Å²	116	108.8 Å²	108.8	61%	0.607	59%	0.587	S	S	*	*			trans	-60.7	121	173.7	-75.4	89.7	0	0	0	111.1	K172	K172-L859 WeakPolarHBondContact CD-O 3.27Å; K172-L859 WeakPolarHBondContact CE-O 3.37Å; K172-L859 PolarHBondContact NZ-O 2.78Å
860	V	25.3	Very low	27	Very low	41 Å²	41	104.3 Å²	104.3	25%	0.248	57%	0.571	C	S	.	*			trans	-128.6	97.5	173	-168.6	0	0	0	0	111.3	K172 K173 I174 S858 V862	K172-V860 HydrophobicContact CB-CG2 4.41Å; K172-V860 HydrophobicContact CD-CG2 3.85Å; K172-V860 HydrophobicContact CG-CG2 3.71Å; K173-V860 HydrophobicContact CB-CG2 4.1Å; K173-V860 HydrophobicContact CD-CB 4.26Å; K173-V860 HydrophobicContact CD-CG1 4.43Å; K173-V860 HydrophobicContact CD-CG2 3.57Å; K173-V860 HydrophobicContact CG-CG2 4.47Å; I174-V860 HydrophobicContact CD1-CG1 3.61Å; I174-V860 HydrophobicContact CG1-CG1 4.38Å; S858-V860 PolarHBondContact O-N 2.88Å; V860-V862 HydrophobicContact CG1-CG2 3.88Å; V860-V862 PolarHBondContact O-N 3.37Å; V860-V862 VanDerWaalsContact O-N 3.08Å
861	N	24.6	Very low	26.9	Very low	144 Å²	144	98.6 Å²	98.6	77%	0.77	55%	0.55	S	S	*	*			trans	-55.4	110.1	154.3	-64.5	-2.7	0	0	0	107.6
862	V	27.7	Very low	27	Very low	68 Å²	68	90.6 Å²	90.6	41%	0.412	52%	0.516	S	S	.	.			trans	-100.4	95.9	161.1	-171.1	0	0	0	0	106.4	I174 V860 D864	I174-V862 HydrophobicContact CD1-CG2 3.28Å; V860-V862 HydrophobicContact CG1-CG2 3.88Å; V860-V862 PolarHBondContact O-N 3.37Å; V860-V862 VanDerWaalsContact O-N 3.08Å; V862-D864 VanDerWaalsContact C-N 3.29Å; V862-D864 HydrophobicContact CG1-CB 4.32Å; V862-D864 PolarHBondContact O-N 3.01Å
863	T	25.4	Very low	26.9	Very low	96 Å²	96	90.6 Å²	90.6	59%	0.589	50%	0.504	S	S	*	.			trans	-62.6	100	155.4	45.2	0	0	0	0	106.2	N865	T863-N865 PolarHBondContact O-N 3.47Å
864	D	27.2	Very low	27.1	Very low	40 Å²	40	83.9 Å²	83.9	21%	0.214	47%	0.469	C	S	.	.			trans	-78.2	44.7	-173.5	-144.3	15.9	0	0	0	111.7	R806 V862 R866	R806-D864 IonicContact CZ-OD2 3.49Å; R806-D864 IonicContact NH1-OD2 2.64Å; R806-D864 IonicContact NH2-OD2 3.37Å; R806-D864 PolarHBondContact NH2-OD2 2.87Å; V862-D864 VanDerWaalsContact C-N 3.29Å; V862-D864 HydrophobicContact CG1-CB 4.32Å; V862-D864 PolarHBondContact O-N 3.01Å; D864-R866 PolarHBondContact O-N 2.76Å
865	N	27	Very low	27.2	Very low	117 Å²	117	80.2 Å²	80.2	63%	0.626	46%	0.461	S	S	*	.			trans	-70.7	56	169.3	-73.9	-1	0	0	0	109.6	T863 S867	T863-N865 PolarHBondContact O-N 3.47Å; N865-S867 VanDerWaalsContact C-N 3.32Å; N865-S867 PolarHBondContact O-N 3.34Å
866	R	28.4	Very low	27.4	Very low	93 Å²	93	79.2 Å²	79.2	35%	0.351	46%	0.455	S	S	.	.			trans	-93.9	71.8	172.5	-72.5	-164	161.9	-153	-10.8	110.5	L175 I176 D864 S868	L175-R866 PolarHBondContact O-NH1 2.86Å; L175-R866 PolarHBondContact O-NH2 3.24Å; I176-R866 PolarHBondContact O-NH1 3.19Å; D864-R866 PolarHBondContact O-N 2.76Å; R866-S868 PolarHBondContact O-N 2.95Å; R866-S868 VanDerWaalsContact O-N 3.13Å
867	S	27.7	Very low	27.5	Very low	65 Å²	65	77.2 Å²	77.2	46%	0.455	44%	0.439	S	S	.	.			trans	-56.5	106.3	153.4	44.8	0	0	0	0	108.7	N865 V869	N865-S867 VanDerWaalsContact C-N 3.32Å; N865-S867 PolarHBondContact O-N 3.34Å; S867-V869 VanDerWaalsContact C-N 3.34Å; S867-V869 PolarHBondContact O-N 2.98Å
868	S	26.3	Very low	27.6	Very low	13 Å²	13	74.8 Å²	74.8	9%	0.091	42%	0.422	C	S	.	.			trans	-68.7	88.4	178.9	61.5	0	0	0	0	110.4	R178 H835 R866	R178-S868 PolarHBondContact NH1-OG 2.54Å; R178-S868 PolarHBondContact NH2-OG 2.54Å; H835-S868 PolarHBondContact NE2-O 2.67Å; R866-S868 PolarHBondContact O-N 2.95Å; R866-S868 VanDerWaalsContact O-N 3.13Å
869	V	29.2	Very low	27.7	Very low	117 Å²	117	78.6 Å²	78.6	71%	0.709	43%	0.431	S	S	*	.			trans	-67.8	138.4	170	179.3	0	0	0	0	107.9	S867	S867-V869 VanDerWaalsContact C-N 3.34Å; S867-V869 PolarHBondContact O-N 2.98Å
870	I	27	Very low	28	Very low	84 Å²	84	77.7 Å²	77.7	43%	0.431	42%	0.424	S	S	.	.			trans	-126.9	128.1	167	-20.9	178.6	0	0	0	106.3	Y29	Y29-I870 VanDerWaalsContact CD1-O 3.23Å; Y29-I870 WeakPolarHBondContact CD1-O 3.43Å; Y29-I870 HydrophobicContact CD2-CB 3.63Å; Y29-I870 HydrophobicContact CD2-CD1 4.43Å; Y29-I870 HydrophobicContact CD2-CG1 4.48Å; Y29-I870 HydrophobicContact CD2-CG2 4.04Å; Y29-I870 WeakPolarHBondContact CE1-O 3.44Å; Y29-I870 HydrophobicContact CE2-CB 4.06Å; Y29-I870 HydrophobicContact CG-CB 3.92Å; Y29-I870 HydrophobicContact CG-CG2 4.07Å; Y29-I870 VanDerWaalsContact CZ-O 3.27Å
871	S	29.3	Very low	28.1	Very low	52 Å²	52	79.5 Å²	79.5	36%	0.364	43%	0.432	S	S	.	.			trans	-130.4	146.7	179.8	52.1	0	0	0	0	108.4	Y29	Y29-S871 WeakPolarHBondContact CB-O 3.48Å; Y29-S871 CarbonylContact O-C 3.55Å
872	Q	32	Very low	28.3	Very low	31 Å²	31	76.1 Å²	76.1	15%	0.145	42%	0.415	C	S	.	.			cis	70.7	49.4	27.1	-80.1	-177.1	-125.2	0	0	115.9	Y29 M30 R31 S874	Y29-Q872 HydrophobicContact CD1-CB 3.46Å; Y29-Q872 VanDerWaalsContact CD1-CB 3.46Å; Y29-Q872 HydrophobicContact CD1-CG 3.41Å; Y29-Q872 VanDerWaalsContact CD1-CG 3.41Å; Y29-Q872 HydrophobicContact CE1-CB 3.79Å; Y29-Q872 HydrophobicContact CE1-CG 3.86Å; Y29-Q872 HydrophobicContact CG-CG 4.41Å; Y29-Q872 WeakPolarHBondContact O-CA 3.09Å; Y29-Q872 WeakPolarHBondContact O-CG 3.28Å; Y29-Q872 PolarHBondContact O-N 2.79Å; M30-Q872 HydrophobicContact SD-CG 4.4Å; R31-Q872 VanDerWaalsContact N-OE1 3.15Å; Q872-S874 PolarHBondContact NE2-OG 2.76Å; Q872-S874 PolarHBondContact O-N 2.99Å
873	S	26.4	Very low	28.3	Very low	72 Å²	72	76.6 Å²	76.6	50%	0.503	42%	0.415	S	S	.	.				-44.2	50.1	115.7	49.5	0	0	0	0	115.3	M30 H875	M30-S873 WeakPolarHBondContact CE-O 3.46Å; S873-H875 PolarHBondContact O-N 3.4Å
874	S	29.9	Very low	28.5	Very low	16 Å²	16	75.4 Å²	75.4	11%	0.112	41%	0.405	C	S	.	.			trans	-91.4	57.2	159.1	58.7	0	0	0	0	109.4	R34 Q872 L876	R34-S874 PolarHBondContact NE-O 2.64Å; R34-S874 PolarHBondContact NH2-O 3.24Å; Q872-S874 PolarHBondContact NE2-OG 2.76Å; Q872-S874 PolarHBondContact O-N 2.99Å; S874-L876 VanDerWaalsContact C-N 3.27Å; S874-L876 PolarHBondContact O-N 3.43Å; S874-L876 VanDerWaalsContact O-N 3.13Å
875	H	29.4	Very low	28.6	Very low	131 Å²	131	77.6 Å²	77.6	61%	0.606	42%	0.416	S	S	*	.			trans	-72.9	94.1	156.6	-76.4	-95.2	0	0	0	106.5	S873	S873-H875 PolarHBondContact O-N 3.4Å
876	L	29.3	Very low	28.7	Very low	73 Å²	73	75 Å²	75	38%	0.382	40%	0.403	S	S	.	.			trans	-125.9	76.4	151.2	-58.6	-179.7	0	0	0	104.7	R34 E99 S874 S878	R34-L876 PolarHBondContact NE-O 3.09Å; R34-L876 PolarHBondContact NH1-O 3.39Å; E99-L876 HydrophobicContact CG-CD2 4.11Å; E99-L876 VanDerWaalsContact OE2-CA 3.24Å; E99-L876 WeakPolarHBondContact OE2-CA 3.27Å; E99-L876 PolarHBondContact OE2-N 2.98Å; S874-L876 VanDerWaalsContact C-N 3.27Å; S874-L876 PolarHBondContact O-N 3.43Å; S874-L876 VanDerWaalsContact O-N 3.13Å; L876-S878 PolarHBondContact O-N 3.05Å
877	N	27.8	Very low	28.7	Very low	91 Å²	91	73.7 Å²	73.7	49%	0.487	41%	0.406	S	S	.	.			trans	-74.6	51	173.7	-101	12.4	0	0	0	111.6	R34 E99 F879	R34-N877 VanDerWaalsContact CZ-OD1 3.25Å; R34-N877 PolarHBondContact NH1-OD1 2.94Å; R34-N877 PolarHBondContact NH2-OD1 3.08Å; E99-N877 WeakPolarHBondContact OE1-CA 3.4Å; E99-N877 PolarHBondContact OE1-N 2.75Å; E99-N877 PolarHBondContact OE2-N 3.32Å; N877-F879 PolarHBondContact O-N 2.75Å
878	S	29.4	Very low	28.8	Very low	46 Å²	46	74.4 Å²	74.4	32%	0.322	40%	0.402	S	S	.	.			trans	-64.9	126.5	154.5	-170.3	0	0	0	0	108.6	R36 L100 S101 L876	R36-S878 PolarHBondContact NH2-O 3.34Å; R36-S878 VanDerWaalsContact NH2-O 3.1Å; L100-S878 VanDerWaalsContact C-OG 3.27Å; L100-S878 WeakPolarHBondContact O-CB 3.34Å; L100-S878 PolarHBondContact O-OG 3.14Å; S101-S878 PolarHBondContact N-OG 2.74Å; L876-S878 PolarHBondContact O-N 3.05Å
879	F	27.3	Very low	29	Very low	144 Å²	144	79.5 Å²	79.5	63%	0.632	43%	0.428	S	S	*	.			trans	-96.7	-44	-146.8	-156.9	-10	0	0	0	111.9	S101 N877	S101-F879 WeakPolarHBondContact O-CB 3.12Å; S101-F879 PolarHBondContact O-N 2.77Å; N877-F879 PolarHBondContact O-N 2.75Å
880	H	31.5	Very low	29	Very low	97 Å²	97	76.1 Å²	76.1	45%	0.449	40%	0.403	S	S	.	.			trans	-80.6	0	179.1	-63.8	-127.9	0	0	0	112.8	R36 S101 N102 C103 S104	R36-H880 PolarHBondContact NH1-O 2.88Å; R36-H880 PolarHBondContact NH1-OXT 2.71Å; R36-H880 PolarHBondContact NH2-O 3.43Å; R36-H880 PolarHBondContact NH2-OXT 3.08Å; S101-H880 PolarHBondContact O-N 2.95Å; N102-H880 PolarHBondContact N-CD2 2.8Å; N102-H880 PolarHBondContact ND2-NE2 2.85Å; C103-H880 WeakPolarHBondContact CA-CD2 3.44Å; C103-H880 WeakPolarHBondContact CA-CE1 3.45Å; C103-H880 WeakPolarHBondContact CA-ND1 3.25Å; C103-H880 WeakPolarHBondContact CA-NE2 3.38Å; C103-H880 HydrophobicContact CB-CB 3.45Å; C103-H880 VanDerWaalsContact CB-CB 3.45Å; C103-H880 WeakPolarHBondContact CB-CD2 3.13Å; C103-H880 WeakPolarHBondContact CB-CE1 3.47Å; C103-H880 WeakPolarHBondContact CB-ND1 3.32Å; C103-H880 WeakPolarHBondContact CB-NE2 3.47Å; C103-H880 PolarHBondContact N-CD2 3.15Å; C103-H880 PolarHBondContact N-CE1 2.77Å; C103-H880 PolarHBondContact N-ND1 3.26Å; C103-H880 PolarHBondContact N-NE2 2.76Å; C103-H880 WeakPolarHBondContact O-CB 3.1Å; C103-H880 VanDerWaalsContact O-CG 3.23Å; C103-H880 PolarHBondContact O-ND1 3.22Å; C103-H880 PolarHBondContact SG-CD2 2.87Å; C103-H880 PolarHBondContact SG-NE2 2.78Å; S104-H880 PolarHBondContact N-CE1 3.12Å; S104-H880 PolarHBondContact N-ND1 3.29Å; S104-H880 PolarHBondContact OG-ND1 2.84Å; S104-H880 VanDerWaalsContact OG-ND1 3.11Å

Retrieved 880 of 880 residues in 1423.5 ms (Link to these results)

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