A0A060W3A0_ONCMY Loading...

Serine/threonine-protein kinase PRP4 homolog

AlphaFold DB , UniProt , Accession A0A060W3A0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110489887, Length 1,019 aa.

						>A0A060W3A0_ONCMY|A0A060W3A0|LOC110489887
MADVEMDIASSRMNNGNEHVKEDLESHDKSGSEEESGENSEEEEEREEKEVGEGEAETNGEKTAKVSKHHSSGSKHKKKKHKHRSKHKKHKHASEEDKDRKRKHRHKHKKHKRKDGSSSSAPGINSASSQRKTHISPSSDDKALLEELEKQRAMIKAELDSQVMEGGKVQSGMGLILQGYNSGSEEGDGEGRVRNGEQRQKGSMGKPPSPRGRSGKARRDSTEASKSSSKRHSRSKSKERTGKESKSDKTTKVSKDVAAKGRGRSKSKERKRSQSGGRSKERNKKSPSPSSRRAEQRSGRSDKRSSPQPDDRPNTERGSRRSRSRERPGRSESERERDKRPTKSPSKDASSGKENRSPHRRGGGVAISPSRRRSASPRPTRDSQQASASASTSKQGSPSRSARSPARRGRSRSPDARRRDADRPGSSPLRKRIRPEAGPGGRARSRETSPRGAPQRRRMSRSPFRRRSPSPFRRRSRSPMRRRSPERDRYGRLRQYGRRSNSRDRDRRRRHGRDEDKFKGSLSEGMKADKESSEEEVLEDFDGEEVDEEAIIEQRRQQRLAIVQKYRGGNEDSMASMASEPSSPQSSTRSRSPSPDDILERVAADVKEYELENLDTFEENIKAKQGLITQEKDGPKKPSAPDMFTESDVMFEAAIDSARMRAAGVGGKDFKENPNLRDNWTDAEGYYRVNIGETLDKRYDVYGYTGQGMFSNVIRGRDTARAGQDVAVKIIRNNELMQKTGLKELEFLKRLNDADPDDKFHCLRLFRHFYHKQHLCLVFEPLSMNLREVLKKYGKDVGLHIKAVRSYTQQLFLALKLLKRCSILHADIKPDNILVNESKTILKLCDFGSASHVADNDITPYLVSRFYRAPEIIIGKPYDYSIDMWSVGCTLYELYTGKILFPGSSNNHMIKLAMDLKGKMPNKMIRKGLFKDQHFDQNLNFLYIEVDKVTEREKVTVMSTINPTKDLLCDMVGGQRLPEEQRKKVLVLKDLIDGTLMLDPAKRISINQALQHPFIQEKI
					

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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	31.1	Very low	35.2	Very low	243 Å²	243	137.9 Å²	137.9	100%	1.197	81%	0.805	S	S	*	*				0	104.4	0	-73.1	-178.7	172.5	0	0	106.8
2	A	34.1	Very low	35.2	Very low	88 Å²	88	145.7 Å²	145.7	73%	0.727	81%	0.811	S	S	*	*			cis	-159.1	122.6	-19.6	0	0	0	0	0	103.2
3	D	37.9	Very low	35.3	Very low	147 Å²	147	148.4 Å²	148.4	79%	0.786	82%	0.817	S	S	*	*				66.9	135	84.4	-63.6	-43.1	0	0	0	115.4
4	V	37.6	Very low	35.2	Very low	127 Å²	127	147.6 Å²	147.6	77%	0.77	81%	0.811	S	S	*	*			trans	80.1	115.7	168.1	-163.9	0	0	0	0	115.8
5	E	39.1	Very low	35	Very low	161 Å²	161	147.1 Å²	147.1	75%	0.752	81%	0.807	S	S	*	*				78.2	154.5	54.2	-79.5	-173	159.6	0	0	115.2
6	M	38.8	Very low	34.7	Very low	136 Å²	136	140.9 Å²	140.9	67%	0.67	79%	0.788	S	S	*	*			cis	-104.3	-140.7	-3.9	-66.2	-173.4	174.8	0	0	110.6	I8	M6-I8 HydrophobicContact SD-CD1 4.09Å
7	D	32.6	Very low	34.5	Very low	139 Å²	139	141.8 Å²	141.8	74%	0.743	79%	0.791	S	S	*	*			cis	-142.5	154.6	4.4	-84.9	-71.2	0	0	0	108
8	I	36.9	Very low	34.6	Very low	133 Å²	133	143.2 Å²	143.2	68%	0.682	79%	0.79	S	S	*	*			cis	93	97.4	38.3	-56.3	174.9	0	0	0	115.5	M6	M6-I8 HydrophobicContact SD-CD1 4.09Å
9	A	32.7	Very low	34.4	Very low	101 Å²	101	145 Å²	145	84%	0.835	79%	0.792	S	S	*	*			trans	-155.2	129.9	144	0	0	0	0	0	110.3
10	S	35.3	Very low	34.4	Very low	122 Å²	122	143.3 Å²	143.3	85%	0.853	79%	0.785	S	S	*	*			trans	-91.1	158.5	-177.2	-61.2	0	0	0	0	111.7
11	S	31.3	Very low	34.2	Very low	120 Å²	120	144.1 Å²	144.1	84%	0.839	78%	0.781	S	S	*	*				-170.9	155.6	81.5	-168.6	0	0	0	0	113.9
12	R	34.8	Very low	34.3	Very low	231 Å²	231	139.3 Å²	139.3	87%	0.872	76%	0.756	S	S	*	*			trans	-122.6	163.1	173	-86.5	178.3	166.8	176.1	-4.2	108.9
13	M	36.3	Very low	34.2	Very low	181 Å²	181	141.8 Å²	141.8	89%	0.892	76%	0.757	S	S	*	*			trans	173	150.7	134.9	-97.1	166.4	-161.4	0	0	110.3
14	N	35	Very low	34	Very low	138 Å²	138	141.6 Å²	141.6	74%	0.738	76%	0.755	S	S	*	*			cis	-131.3	-129.6	-10.4	-154	24.6	0	0	0	109.6
15	N	31.6	Very low	33.7	Very low	139 Å²	139	144.1 Å²	144.1	74%	0.743	76%	0.758	S	S	*	*			cis	-154.3	177.7	-5.6	-151.2	82.1	0	0	0	109.3
16	G	29.8	Very low	33.3	Very low	49 Å²	49	140.9 Å²	140.9	51%	0.505	75%	0.754	S	S	.	*			trans	-160.5	-154.4	173	0	0	0	0	0	113.8
17	N	31	Very low	33	Very low	156 Å²	156	142.2 Å²	142.2	83%	0.834	76%	0.758	S	S	*	*			trans	77.8	159.1	177.3	-71.8	26.2	0	0	0	119
18	E	37.4	Very low	32.9	Very low	166 Å²	166	140.6 Å²	140.6	78%	0.776	75%	0.75	S	S	*	*			cis	-176.8	140.6	-46	-135	-179.3	-160.8	0	0	110.1
19	H	30.4	Very low	32.6	Very low	178 Å²	178	142 Å²	142	82%	0.824	75%	0.75	S	S	*	*			trans	-172.6	176.7	171.3	-113.7	59.6	0	0	0	112.2
20	V	35.2	Very low	32.4	Very low	110 Å²	110	142.7 Å²	142.7	67%	0.667	75%	0.749	S	S	*	*				178.2	154.2	-69.5	144	0	0	0	0	110.4
21	K	30.2	Very low	32.1	Very low	162 Å²	162	139.9 Å²	139.9	70%	0.704	74%	0.74	S	S	*	*			trans	80.8	120.6	-177.6	-66.9	-171.6	168	-76.7	0	116.5
22	E	33.1	Very low	31.8	Very low	141 Å²	141	139.2 Å²	139.2	66%	0.659	74%	0.735	S	S	*	*				68	130.3	67.5	-66.5	170	167.9	0	0	111.3
23	D	32.3	Very low	31.6	Very low	140 Å²	140	135.8 Å²	135.8	75%	0.749	73%	0.729	S	S	*	*			cis	-164.5	-177.6	3.8	-105.4	-27.6	0	0	0	111.6
24	L	32.9	Very low	31.3	Very low	144 Å²	144	135.5 Å²	135.5	75%	0.754	73%	0.725	S	S	*	*			trans	104.2	107.2	156.2	-57.7	174.6	0	0	0	120.7
25	E	31.4	Very low	31.1	Very low	179 Å²	179	136.6 Å²	136.6	84%	0.836	73%	0.726	S	S	*	*				50.6	140.2	120.5	-69.3	-176.9	159.4	0	0	121.5
26	S	31	Very low	30.9	Very low	94 Å²	94	134.9 Å²	134.9	66%	0.657	73%	0.725	S	S	*	*			cis	-170.6	158.5	10.4	48.7	0	0	0	0	114.2
27	H	31.9	Very low	30.8	Very low	163 Å²	163	136.1 Å²	136.1	76%	0.755	74%	0.738	S	S	*	*			trans	57.7	121.6	149.1	-78.1	-61.4	0	0	0	121.6
28	D	30.4	Very low	31	Very low	106 Å²	106	137.7 Å²	137.7	57%	0.567	74%	0.74	S	S	*	*				68.5	141.5	87.9	-89.3	-24	0	0	0	114.3
29	K	31	Very low	30.6	Very low	161 Å²	161	137 Å²	137	70%	0.7	74%	0.742	S	S	*	*			cis	-170.3	153.4	6.4	-131.7	159.7	-162.1	134.6	0	112.8
30	S	28.1	Very low	30.7	Very low	116 Å²	116	133.3 Å²	133.3	81%	0.811	74%	0.736	S	S	*	*			trans	41.6	145.1	140.7	64.6	0	0	0	0	126.1
31	G	28.2	Very low	30.4	Very low	63 Å²	63	137 Å²	137	65%	0.649	75%	0.746	S	S	*	*			trans	132.1	115.6	153.8	0	0	0	0	0	113
32	S	26.8	Very low	30.5	Very low	106 Å²	106	138.3 Å²	138.3	74%	0.741	76%	0.755	S	S	*	*				59.8	136.7	73.9	71.8	0	0	0	0	113
33	E	29.6	Very low	30.4	Very low	160 Å²	160	140.6 Å²	140.6	75%	0.748	77%	0.765	S	S	*	*			cis	-150.6	167.5	19.8	-112.7	130.6	-135.5	0	0	109.3
34	E	29.8	Very low	30.3	Very low	174 Å²	174	142.7 Å²	142.7	81%	0.813	77%	0.77	S	S	*	*				42	146.4	102.6	-47.5	-170.5	161.8	0	0	116.2
35	E	30.7	Very low	30.1	Very low	161 Å²	161	143.6 Å²	143.6	75%	0.752	77%	0.771	S	S	*	*			cis	-161.7	-167.6	9.7	-145.5	-158.8	-162	0	0	110.9
36	S	27.7	Very low	30	Very low	103 Å²	103	145.5 Å²	145.5	72%	0.72	77%	0.77	S	S	*	*			trans	7.9	160	153	62.1	0	0	0	0	122.8
37	G	28.6	Very low	30.1	Very low	75 Å²	75	149 Å²	149	77%	0.773	78%	0.776	S	S	*	*			cis	-175.5	-160.1	12	0	0	0	0	0	113.3
38	E	33.6	Very low	29.9	Very low	189 Å²	189	150.6 Å²	150.6	88%	0.883	78%	0.784	S	S	*	*			trans	-82.7	158.4	-165.1	-59.5	159.9	129	0	0	115
39	N	29.4	Very low	30.1	Very low	153 Å²	153	154.5 Å²	154.5	82%	0.818	80%	0.796	S	S	*	*				-168	145.5	117	-111.5	2.4	0	0	0	114.6
40	S	32.5	Very low	30.1	Very low	99 Å²	99	155.3 Å²	155.3	69%	0.692	80%	0.802	S	S	*	*			trans	-97.6	160.3	167.1	50.4	0	0	0	0	111.1
41	E	29.4	Very low	30.3	Very low	189 Å²	189	153.4 Å²	153.4	88%	0.883	79%	0.786	S	S	*	*			trans	-166.7	159.6	139.3	-109.4	157.1	-154.9	0	0	112
42	E	32.3	Very low	30.5	Very low	189 Å²	189	151.6 Å²	151.6	88%	0.883	77%	0.767	S	S	*	*			trans	-112.6	-149.3	-169	-60	-175.2	119.5	0	0	112.4
43	E	30.1	Very low	30.7	Very low	189 Å²	189	151.5 Å²	151.5	88%	0.883	75%	0.754	S	S	*	*			trans	78.4	124.1	177.5	-52.4	-171	164.7	0	0	115.5
44	E	30.5	Very low	30.8	Very low	183 Å²	183	146.5 Å²	146.5	86%	0.855	75%	0.746	S	S	*	*			cis	106.4	151.7	24.1	-161.1	168.9	-125.6	0	0	113.2
45	E	29.6	Very low	31	Very low	163 Å²	163	147.6 Å²	147.6	76%	0.762	75%	0.751	S	S	*	*			trans	69.9	170.2	173.4	-61	-138.6	122.8	0	0	119.4
46	R	28.8	Very low	30.8	Very low	219 Å²	219	144.1 Å²	144.1	83%	0.826	75%	0.75	S	S	*	*				-157.4	-177.7	-66.8	-118.3	178.9	-168.5	-134	8.5	109.9
47	E	32.8	Very low	31	Very low	169 Å²	169	147.9 Å²	147.9	79%	0.79	76%	0.756	S	S	*	*			trans	-62.1	155.9	-179.3	-53.4	171.7	112.3	0	0	114.3
48	E	29.1	Very low	31.2	Very low	196 Å²	196	149.1 Å²	149.1	92%	0.916	75%	0.749	S	S	*	*			trans	-153.8	163.6	133.4	-124.4	175.3	-158.5	0	0	114.5
49	K	33.5	Very low	31	Very low	188 Å²	188	148 Å²	148	82%	0.817	75%	0.749	S	S	*	*			trans	-117	154.7	-177	-61.7	168.4	179.3	164.6	0	110.1
50	E	30.6	Very low	30.8	Very low	177 Å²	177	144.7 Å²	144.7	83%	0.827	75%	0.751	S	S	*	*			trans	-163.2	159.8	148.8	-94.3	-131	128.6	0	0	110.7
51	V	32.6	Very low	30.6	Very low	77 Å²	77	147.1 Å²	147.1	47%	0.467	75%	0.752	S	S	.	*			cis	-163.7	163.5	-36.8	116.4	0	0	0	0	107.9	H359	V51-H359 VanDerWaalsContact CG1-C 3.46Å; V51-H359 VanDerWaalsContact CG1-CA 3.45Å; V51-H359 PolarHBondContact O-CE1 3.25Å; V51-H359 PolarHBondContact O-ND1 3Å
52	G	33.2	Very low	30.7	Very low	24 Å²	24	145.6 Å²	145.6	25%	0.247	74%	0.742	C	S	.	*			trans	-81.8	-159.2	-145.3	0	0	0	0	0	129.9	H359	G52-H359 WeakPolarHBondContact CA-CD2 3.23Å; G52-H359 WeakPolarHBondContact CA-CE1 3.13Å; G52-H359 WeakPolarHBondContact CA-ND1 3.27Å; G52-H359 WeakPolarHBondContact CA-NE2 3.19Å; G52-H359 VanDerWaalsContact N-CA 3.3Å; G52-H359 PolarHBondContact N-CD2 3.22Å; G52-H359 PolarHBondContact N-CE1 2.66Å; G52-H359 VanDerWaalsContact N-CE1 3.31Å; G52-H359 PolarHBondContact N-ND1 2.94Å; G52-H359 PolarHBondContact O-CD2 3.19Å; G52-H359 PolarHBondContact O-CE1 2.85Å; G52-H359 PolarHBondContact O-ND1 3.42Å; G52-H359 PolarHBondContact O-NE2 3.39Å
53	E	30.1	Very low	30.4	Very low	104 Å²	104	142.7 Å²	142.7	49%	0.486	74%	0.738	S	S	.	*			trans	85.1	151	170.3	-56.1	163.6	-109.1	0	0	115.3	H359 R360	E53-H359 HydrophobicContact CG-CB 4.16Å; E53-H359 PolarHBondContact N-CD2 3.45Å; E53-H359 PolarHBondContact N-CE1 3.48Å; E53-H359 VanDerWaalsContact N-CG 3.25Å; E53-H359 PolarHBondContact N-NE2 3.49Å; E53-H359 WeakPolarHBondContact OE1-CB 3.35Å; E53-R360 WeakPolarHBondContact OE1-CD 3.37Å; E53-R360 VanDerWaalsContact OE1-CG 3.24Å; E53-R360 WeakPolarHBondContact OE1-CG 3.4Å; E53-R360 IonicContact OE1-CZ 3.29Å; E53-R360 IonicContact OE1-NE 2.82Å; E53-R360 PolarHBondContact OE1-NE 2.86Å; E53-R360 IonicContact OE2-CZ 3.45Å; E53-R360 IonicContact OE2-NE 2.66Å; E53-R360 PolarHBondContact OE2-NE 3.48Å; E53-R360 IonicContact OE2-NH2 2.76Å; E53-R360 PolarHBondContact OE2-NH2 2.89Å
54	G	31.2	Very low	30.4	Very low	55 Å²	55	137.3 Å²	137.3	57%	0.567	73%	0.725	S	S	*	*			cis	97	144.8	16.7	0	0	0	0	0	111.3
55	E	34.9	Very low	30.3	Very low	197 Å²	197	138.1 Å²	138.1	92%	0.921	73%	0.726	S	S	*	*			cis	-151.4	162.1	-5.8	-68.5	-171.1	132.1	0	0	109.1
56	A	27.4	Very low	30.2	Very low	89 Å²	89	135.8 Å²	135.8	74%	0.736	72%	0.722	S	S	*	*			trans	-179.3	119.2	154.4	0	0	0	0	0	108.3
57	E	31.3	Very low	30.2	Very low	182 Å²	182	130.1 Å²	130.1	85%	0.85	72%	0.717	S	S	*	*				62.7	142.7	84.5	-64.9	-154.2	148.2	0	0	116.2
58	T	31.9	Very low	30	Very low	101 Å²	101	130.1 Å²	130.1	62%	0.62	71%	0.714	S	S	*	*			cis	-165	171.7	-25.1	40.8	0	0	0	0	110.1
59	N	29.3	Very low	30	Very low	164 Å²	164	126.9 Å²	126.9	88%	0.877	70%	0.699	S	S	*	*			trans	81.4	143	150.8	-64.5	-32.9	0	0	0	123.6
60	G	26	Very low	29.8	Very low	84 Å²	84	126 Å²	126	87%	0.866	70%	0.697	S	S	*	*			trans	152.3	118.5	162.3	0	0	0	0	0	115.1
61	E	29	Very low	29.6	Very low	151 Å²	151	122.6 Å²	122.6	71%	0.706	69%	0.693	S	S	*	*			trans	-137.9	165.8	-171.3	-155.1	-155.3	146.9	0	0	112.7
62	K	30.6	Very low	29.4	Very low	156 Å²	156	124.3 Å²	124.3	68%	0.678	71%	0.708	S	S	*	*			trans	73	154.9	163.3	-75.6	150.6	175	136.6	0	116.7
63	T	27	Very low	29.1	Very low	129 Å²	129	126.5 Å²	126.5	79%	0.791	73%	0.731	S	S	*	*			cis	-160.5	150.3	18	-10.8	0	0	0	0	115.1
64	A	29.1	Very low	28.9	Very low	76 Å²	76	126.7 Å²	126.7	63%	0.628	74%	0.744	S	S	*	*			trans	63.8	127.2	131.6	0	0	0	0	0	127.1
65	K	28.1	Very low	28.8	Very low	199 Å²	199	132.6 Å²	132.6	87%	0.865	75%	0.754	S	S	*	*				66.6	153.9	123.7	-66.3	-174.2	177.7	178.5	0	120.8
66	V	28.3	Very low	28.7	Very low	114 Å²	114	131.4 Å²	131.4	69%	0.691	75%	0.748	S	S	*	*			cis	-166.7	140	-8.6	128.1	0	0	0	0	112.8
67	S	27.6	Very low	28.8	Very low	101 Å²	101	135.4 Å²	135.4	71%	0.706	75%	0.749	S	S	*	*			trans	59.6	155.3	159.2	74.1	0	0	0	0	119
68	K	29.9	Very low	28.8	Very low	169 Å²	169	135 Å²	135	74%	0.735	75%	0.745	S	S	*	*			cis	-148.2	170.9	25.9	-76.7	171.7	169.5	-82.6	0	109.8
69	H	28.8	Very low	28.8	Very low	128 Å²	128	138.6 Å²	138.6	59%	0.593	75%	0.751	S	S	*	*			cis	-147.6	-86.3	-13.1	-115.4	-56.9	0	0	0	111.5
70	H	28.4	Very low	28.9	Very low	168 Å²	168	138.5 Å²	138.5	78%	0.778	74%	0.743	S	S	*	*			trans	-152.3	168.6	-164.2	-53.5	-56.5	0	0	0	110.4
71	S	26.6	Very low	29.1	Very low	106 Å²	106	142 Å²	142	74%	0.741	74%	0.737	S	S	*	*			cis	-154.5	175.3	22.4	64.1	0	0	0	0	115.2
72	S	28.1	Very low	29.5	Very low	113 Å²	113	143.6 Å²	143.6	79%	0.79	74%	0.741	S	S	*	*			trans	-22.1	154.9	162.4	52.5	0	0	0	0	119.2
73	G	27.1	Very low	29.6	Very low	71 Å²	71	145.2 Å²	145.2	73%	0.732	75%	0.751	S	S	*	*			cis	145.2	155.2	1.7	0	0	0	0	0	113.3
74	S	26.6	Very low	29.8	Very low	108 Å²	108	149 Å²	149	76%	0.755	75%	0.75	S	S	*	*			trans	79.2	138.9	164.3	-129.7	0	0	0	0	121.6
75	K	29.8	Very low	29.8	Very low	178 Å²	178	151.1 Å²	151.1	77%	0.774	76%	0.761	S	S	*	*			trans	78.8	103.2	147.7	-72.2	162	-173.2	174.9	0	122.8
76	H	31.1	Very low	30	Very low	173 Å²	173	149.1 Å²	149.1	80%	0.801	75%	0.752	S	S	*	*				67	139.8	115.5	-84.2	-27.4	0	0	0	124.5
77	K	30.9	Very low	30.3	Very low	173 Å²	173	152.7 Å²	152.7	75%	0.752	76%	0.761	S	S	*	*			trans	97.5	113.7	144.1	-78.6	168.6	-178	173.1	0	121.1
78	K	30.9	Very low	30.5	Very low	174 Å²	174	155.6 Å²	155.6	76%	0.757	76%	0.761	S	S	*	*				67.6	122.2	126.3	-71.8	-177.5	175	178.8	0	122.1
79	K	31.8	Very low	30.6	Very low	176 Å²	176	153.9 Å²	153.9	77%	0.765	75%	0.753	S	S	*	*				71.2	119.2	130	-77.4	-172.3	171.4	-176.4	0	121.2
80	K	31.6	Very low	30.7	Very low	162 Å²	162	154.8 Å²	154.8	70%	0.704	76%	0.758	S	S	*	*				90.4	134.6	122.2	-89.6	-175.5	159.1	-127.6	0	122.1
81	H	30.9	Very low	30.8	Very low	157 Å²	157	155 Å²	155	73%	0.727	76%	0.756	S	S	*	*			trans	86.9	143.4	148.9	-79.1	-70.9	0	0	0	121.7
82	K	37.5	Very low	31.1	Very low	184 Å²	184	157.9 Å²	157.9	80%	0.8	76%	0.758	S	S	*	*			trans	-63.3	156.9	-179.6	-57.7	173.6	172.7	-178.7	0	111.8
83	H	32.2	Very low	31.1	Very low	191 Å²	191	155.7 Å²	155.7	88%	0.884	75%	0.747	S	S	*	*				-163.3	145.2	117.5	-104.7	-77.2	0	0	0	114.5
84	R	29.8	Very low	31.2	Very low	207 Å²	207	157 Å²	157	78%	0.781	75%	0.745	S	S	*	*			trans	-46.5	151.9	171.7	179.8	-164.9	-158	-172.3	8.8	117.1
85	S	30.8	Very low	31.4	Very low	121 Å²	121	160.6 Å²	160.6	85%	0.846	75%	0.749	S	S	*	*			trans	-147.3	161.7	148.6	-165	0	0	0	0	112.2
86	K	31.3	Very low	31.3	Very low	158 Å²	158	161.3 Å²	161.3	69%	0.687	76%	0.755	S	S	*	*			trans	-138.2	159.4	-176.7	-81	-172.8	169.5	-168.9	0	110
87	H	34.5	Very low	31.2	Very low	189 Å²	189	159.1 Å²	159.1	88%	0.875	75%	0.75	S	S	*	*			trans	158.4	152.9	143.3	-89.4	-62.5	0	0	0	109.7
88	K	31.4	Very low	31.2	Very low	162 Å²	162	158.9 Å²	158.9	70%	0.704	75%	0.749	S	S	*	*			cis	-148.9	172.2	-8.8	-165.7	-157.4	165.7	-173.7	0	107.3	H90	K88-H90 WeakPolarHBondContact CE-NE2 3.23Å; K88-H90 PolarHBondContact NZ-CD2 2.82Å; K88-H90 PolarHBondContact NZ-NE2 2.67Å
89	K	32.3	Very low	31.4	Very low	132 Å²	132	158.2 Å²	158.2	57%	0.574	75%	0.753	S	S	*	*			trans	-149.8	155.8	175.7	-168.5	168.6	-179.2	177.9	0	114.1	D529 K530	K89-D529 PolarHBondContact NZ-O 2.82Å; K89-K530 PolarHBondContact NZ-O 3.19Å
90	H	31.6	Very low	31.2	Very low	148 Å²	148	160.2 Å²	160.2	69%	0.685	76%	0.756	S	S	*	*			trans	-163.7	160	168.7	-79.2	-81.5	0	0	0	107.6	K88	K88-H90 WeakPolarHBondContact CE-NE2 3.23Å; K88-H90 PolarHBondContact NZ-CD2 2.82Å; K88-H90 PolarHBondContact NZ-NE2 2.67Å
91	K	30.9	Very low	31	Very low	172 Å²	172	161.3 Å²	161.3	75%	0.748	76%	0.761	S	S	*	*			cis	-164.7	138.3	-26	179	-91.5	177.8	-161	0	107.1
92	H	32.4	Very low	30.9	Very low	167 Å²	167	165.2 Å²	165.2	77%	0.773	77%	0.769	S	S	*	*			trans	-99.8	150.5	-176.9	165.5	82.2	0	0	0	114.8
93	A	27.4	Very low	30.3	Very low	67 Å²	67	165.1 Å²	165.1	55%	0.554	77%	0.769	S	S	*	*			trans	-163.1	152.1	156.7	0	0	0	0	0	107.9
94	S	29.2	Very low	30.2	Very low	99 Å²	99	163.4 Å²	163.4	69%	0.692	76%	0.761	S	S	*	*			cis	-167.2	146.7	-19.5	44	0	0	0	0	106.8
95	E	30.3	Very low	30.1	Very low	183 Å²	183	162.6 Å²	162.6	86%	0.855	76%	0.758	S	S	*	*			trans	-83.5	137.9	172	-69.6	-167.1	140.5	0	0	111.7
96	E	28.1	Very low	30	Very low	192 Å²	192	163.7 Å²	163.7	90%	0.897	75%	0.749	S	S	*	*			trans	151.6	83.7	149	-88.9	-167.3	156	0	0	109.8
97	D	30.2	Very low	29.9	Very low	128 Å²	128	164.6 Å²	164.6	68%	0.684	75%	0.753	S	S	*	*			trans	-163.1	138.9	153.3	-142.5	-11.9	0	0	0	113.1
98	K	30.9	Very low	29.7	Very low	168 Å²	168	163.1 Å²	163.1	73%	0.73	75%	0.746	S	S	*	*			trans	64.2	73.2	165	-61.7	134.7	-175.8	153	0	119.2
99	D	34.2	Very low	29.7	Very low	160 Å²	160	164 Å²	164	86%	0.856	75%	0.75	S	S	*	*				-85.7	105.7	126.1	-172.9	9.8	0	0	0	109.3
100	R	28.1	Very low	29.8	Very low	218 Å²	218	165 Å²	165	82%	0.823	75%	0.754	S	S	*	*			trans	-179.8	136.5	152.7	-102.9	154.3	-173.1	-160	2	115.7
101	K	27	Very low	30	Very low	185 Å²	185	164.3 Å²	164.3	80%	0.804	75%	0.751	S	S	*	*			trans	74.9	91.9	152	-68.6	175.5	178.2	172.7	0	118.7
102	R	28.1	Very low	30.1	Very low	239 Å²	239	162.7 Å²	162.7	90%	0.902	74%	0.744	S	S	*	*				17.7	127.6	114.1	-65.6	-179.9	174.8	-172.6	-1.6	116.2
103	K	26.7	Very low	30	Very low	182 Å²	182	163.9 Å²	163.9	79%	0.791	74%	0.742	S	S	*	*				176.8	128.9	120.2	-98.9	166.9	-179	-177.3	0	113.4
104	H	28.7	Very low	30.2	Very low	155 Å²	155	168.9 Å²	168.9	72%	0.718	75%	0.751	S	S	*	*			trans	63.9	158.3	140.2	-65.1	-39.2	0	0	0	119
105	R	28.2	Very low	30.2	Very low	189 Å²	189	169.1 Å²	169.1	71%	0.713	75%	0.745	S	S	*	*			cis	-160.1	137.7	-10.7	-121.2	165.2	70.5	-174.3	5.9	111.2
106	H	29.3	Very low	30.2	Very low	144 Å²	144	164.1 Å²	164.1	67%	0.667	74%	0.742	S	S	*	*			trans	60.6	150.5	134.1	-95.8	-44.8	0	0	0	124.1
107	K	28.8	Very low	30.2	Very low	177 Å²	177	160.1 Å²	160.1	77%	0.77	74%	0.736	S	S	*	*			trans	83.4	144.7	149.9	-76	163.5	175.6	-171.8	0	117.2
108	H	30.3	Very low	30.1	Very low	158 Å²	158	158.7 Å²	158.7	73%	0.731	74%	0.735	S	S	*	*			cis	176.2	171.2	-30.7	-119.8	-59.9	0	0	0	107.7
109	K	31.5	Very low	29.8	Very low	181 Å²	181	155.9 Å²	155.9	79%	0.787	74%	0.737	S	S	*	*			trans	77.2	145.7	167.4	-67.1	-175.8	176.1	167.7	0	114.6
110	K	33.2	Very low	29.4	Very low	152 Å²	152	154.3 Å²	154.3	66%	0.661	74%	0.739	S	S	*	*			cis	-159.2	133.9	1.7	-121.9	-172.7	178.6	-175.7	0	108.8
111	H	35.8	Very low	29.3	Very low	135 Å²	135	148.4 Å²	148.4	63%	0.625	74%	0.736	S	S	*	*				77.7	148.3	97.4	-87.9	10.4	0	0	0	116.6
112	K	33.1	Very low	29.8	Very low	137 Å²	137	146 Å²	146	60%	0.596	74%	0.739	S	S	*	*			cis	-168.5	169.5	-2.8	-133.9	177.1	179.4	151.5	0	113
113	R	31.1	Very low	29.8	Very low	193 Å²	193	138.1 Å²	138.1	73%	0.728	73%	0.733	S	S	*	*			trans	76.1	144.7	147.6	-82.1	169.4	173.4	169.6	-3.6	116.7
114	K	31.5	Very low	29.9	Very low	172 Å²	172	136.8 Å²	136.8	75%	0.748	73%	0.733	S	S	*	*			cis	-91.8	-138.2	13.1	-82.4	-168	91	-59.4	0	116.4
115	D	30	Very low	29.9	Very low	104 Å²	104	136.2 Å²	136.2	56%	0.556	74%	0.735	S	S	*	*			trans	171	145.1	-140	22.5	-123.8	0	0	0	103.9
116	G	29.8	Very low	30.1	Very low	78 Å²	78	133 Å²	133	80%	0.804	74%	0.742	S	S	*	*			cis	170.4	-164.3	29.4	0	0	0	0	0	108.6
117	S	28.7	Very low	30.4	Very low	108 Å²	108	130.5 Å²	130.5	76%	0.755	75%	0.746	S	S	*	*			cis	-168.8	165.3	-0.5	55.2	0	0	0	0	111.8
118	S	26.4	Very low	30.8	Very low	97 Å²	97	127.4 Å²	127.4	68%	0.678	75%	0.746	S	S	*	*			trans	53.4	128.3	147.8	55.8	0	0	0	0	121.5
119	S	26.3	Very low	30.9	Very low	109 Å²	109	124.5 Å²	124.5	76%	0.762	74%	0.744	S	S	*	*			cis	85.1	111.8	32.1	81.4	0	0	0	0	117.3
120	S	25	Very low	30.9	Very low	128 Å²	128	124.8 Å²	124.8	90%	0.895	75%	0.748	S	S	*	*			trans	-176.4	156.2	143.2	45.1	0	0	0	0	113.1
121	A	25.2	Very low	31	Very low	93 Å²	93	128.3 Å²	128.3	77%	0.769	76%	0.757	S	S	*	*			trans	-89.1	-169.4	170.9	0	0	0	0	0	110.1
122	P	38.5	Very low	30.8	Very low	134 Å²	134	132.1 Å²	132.1	87%	0.87	77%	0.772	S	S	*	*			cis	-142	-159.3	29.5	42.2	-20	0	0	0	114.3
123	G	27.6	Very low	30.8	Very low	74 Å²	74	130.6 Å²	130.6	76%	0.763	78%	0.775	S	S	*	*			trans	143.2	147.4	157.8	0	0	0	0	0	116.5
124	I	28.4	Very low	30.9	Very low	155 Å²	155	131 Å²	131	80%	0.795	78%	0.784	S	S	*	*			trans	-132.2	139.5	-168.1	-72.1	171.2	0	0	0	111.9
125	N	30.3	Very low	31.2	Very low	142 Å²	142	129.5 Å²	129.5	76%	0.759	78%	0.783	S	S	*	*			trans	60.3	146.1	163	-67.2	-17.3	0	0	0	119.9
126	S	31.3	Very low	31.9	Very low	122 Å²	122	129.5 Å²	129.5	85%	0.853	79%	0.791	S	S	*	*			trans	66.4	160	-131.8	82.8	0	0	0	0	112.1
127	A	35.3	Very low	32.5	Very low	92 Å²	92	129 Å²	129	76%	0.76	77%	0.774	S	S	*	*			cis	-137	159.8	-0.9	0	0	0	0	0	111.3
128	S	36.9	Very low	33.8	Very low	111 Å²	111	126.3 Å²	126.3	78%	0.776	76%	0.755	S	S	*	*			trans	-152.4	174.8	173.1	84.7	0	0	0	0	108.9
129	S	33.6	Very low	34.9	Very low	98 Å²	98	125.8 Å²	125.8	69%	0.685	75%	0.751	S	S	*	*	S	Bend	cis	-152.2	152.9	16.9	-113.6	0	0	0	0	108.8
130	Q	31.7	Very low	36.5	Very low	187 Å²	187	125.8 Å²	125.8	87%	0.874	74%	0.742	S	S	*	*			cis	-134.2	152.2	13.6	-62.2	-178.8	-24.8	0	0	111.6
131	R	34.5	Very low	38.1	Very low	225 Å²	225	123 Å²	123	85%	0.849	72%	0.717	S	S	*	*			trans	-98.1	158.9	173.1	-64.3	174.6	175.3	171	-2.1	110.9
132	K	32.5	Very low	40	Very low	215 Å²	215	124.8 Å²	124.8	94%	0.935	71%	0.708	S	S	*	*			trans	-146.5	144	139.2	-111.1	165.9	-172.7	178	0	110.7
133	T	32.8	Very low	41.4	Very low	106 Å²	106	120.8 Å²	120.8	65%	0.65	69%	0.687	S	S	*	*			trans	-108.4	143	-156	43.6	0	0	0	0	112.7	I135	T133-I135 PolarHBondContact O-N 3.41Å
134	H	32.6	Very low	43.5	Very low	201 Å²	201	122 Å²	122	93%	0.931	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-65.2	121.1	157.4	-90.6	-88.5	0	0	0	109.2
135	I	38.8	Very low	45.6	Very low	141 Å²	141	119.6 Å²	119.6	72%	0.723	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-88.5	121.1	171.1	-64.7	170.5	0	0	0	107.3	T133	T133-I135 PolarHBondContact O-N 3.41Å
136	S	43.5	Very low	47.7	Very low	104 Å²	104	118 Å²	118	73%	0.727	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-74.7	127.3	163	51.6	0	0	0	0	108.7
137	P	43.8	Very low	50.1	Low	67 Å²	67	117.5 Å²	117.5	44%	0.435	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-59.7	138.6	-174.9	20.7	-31.2	0	0	0	112.3	D141	P137-D141 HydrophobicContact CB-CB 3.5Å; P137-D141 VanDerWaalsContact CB-CB 3.5Å
138	S	54.3	Low	52.2	Low	51 Å²	51	117.3 Å²	117.3	36%	0.357	62%	0.621	S	S	.	*			trans	-65.2	175.4	177.7	66.6	0	0	0	0	112.3	D140 D141 K142	S138-D140 PolarHBondContact O-N 3.03Å; S138-D140 PolarHBondContact OG-N 3.47Å; S138-D141 WeakPolarHBondContact CB-OD2 3.15Å; S138-D141 PolarHBondContact N-OD2 3.12Å; S138-D141 VanDerWaalsContact OG-CG 3.22Å; S138-D141 PolarHBondContact OG-N 2.66Å; S138-D141 VanDerWaalsContact OG-N 3.1Å; S138-D141 PolarHBondContact OG-OD2 3.47Å; S138-K142 WeakPolarHBondContact O-CG 3.24Å; S138-K142 PolarHBondContact O-N 2.72Å
139	S	50.3	Low	54.1	Low	86 Å²	86	118.8 Å²	118.8	60%	0.601	62%	0.616	S	S	*	*	H	α-helix	trans	-58.1	-32.3	169.1	46.5	0	0	0	0	111.9	K142 A143	S139-K142 PolarHBondContact O-N 3.49Å; S139-A143 PolarHBondContact O-N 3.33Å
140	D	59.3	Low	56.4	Low	109 Å²	109	120 Å²	120	58%	0.583	61%	0.609	S	S	*	*	H	α-helix	trans	-82.8	-34.1	-171	-49.6	-13.6	0	0	0	109.6	S138 K142 A143 L144	S138-D140 PolarHBondContact O-N 3.03Å; S138-D140 PolarHBondContact OG-N 3.47Å; D140-K142 VanDerWaalsContact C-N 3.29Å; D140-K142 PolarHBondContact O-N 3.49Å; D140-A143 PolarHBondContact O-N 3.05Å; D140-L144 WeakPolarHBondContact O-CB 3.32Å; D140-L144 WeakPolarHBondContact O-CG 3.49Å; D140-L144 PolarHBondContact O-N 2.99Å
141	D	59.3	Low	58.7	Low	69 Å²	69	115.8 Å²	115.8	37%	0.369	59%	0.589	S	S	.	*	H	α-helix	trans	-64.1	-33	167.2	-62.3	-57.3	0	0	0	112.2	P137 S138 L145	P137-D141 HydrophobicContact CB-CB 3.5Å; P137-D141 VanDerWaalsContact CB-CB 3.5Å; S138-D141 WeakPolarHBondContact CB-OD2 3.15Å; S138-D141 PolarHBondContact N-OD2 3.12Å; S138-D141 VanDerWaalsContact OG-CG 3.22Å; S138-D141 PolarHBondContact OG-N 2.66Å; S138-D141 VanDerWaalsContact OG-N 3.1Å; S138-D141 PolarHBondContact OG-OD2 3.47Å; D141-L145 WeakPolarHBondContact O-CB 3.42Å; D141-L145 WeakPolarHBondContact O-CG 3.41Å; D141-L145 PolarHBondContact O-N 3.19Å
142	K	64.2	Low	60.8	Low	131 Å²	131	114.1 Å²	114.1	57%	0.57	58%	0.582	S	S	*	*	H	α-helix	trans	-74.7	-36.7	174.2	-71.4	177.5	-176.5	178.3	0	112.1	S138 S139 D140 L145 E146	S138-K142 WeakPolarHBondContact O-CG 3.24Å; S138-K142 PolarHBondContact O-N 2.72Å; S139-K142 PolarHBondContact O-N 3.49Å; D140-K142 VanDerWaalsContact C-N 3.29Å; D140-K142 PolarHBondContact O-N 3.49Å; K142-L145 PolarHBondContact O-N 3.06Å; K142-E146 PolarHBondContact O-N 3.03Å
143	A	68.9	Low	62.8	Low	51 Å²	51	106.7 Å²	106.7	42%	0.421	56%	0.561	S	S	.	*	H	α-helix	trans	-63.7	-43	171	0	0	0	0	0	111	S139 D140 L145 E146 E147	S139-A143 PolarHBondContact O-N 3.33Å; D140-A143 PolarHBondContact O-N 3.05Å; A143-L145 VanDerWaalsContact C-N 3.33Å; A143-L145 PolarHBondContact O-N 3.47Å; A143-E146 PolarHBondContact O-N 3.15Å; A143-E147 VanDerWaalsContact O-CB 3.27Å; A143-E147 WeakPolarHBondContact O-CB 3.39Å; A143-E147 PolarHBondContact O-N 3.42Å
144	L	72.4	Confident	65	Low	100 Å²	100	108 Å²	108	52%	0.524	56%	0.561	S	S	.	*	H	α-helix	trans	-63.3	-34.6	173.2	-76.4	170	0	0	0	112.9	D140 L148	D140-L144 WeakPolarHBondContact O-CB 3.32Å; D140-L144 WeakPolarHBondContact O-CG 3.49Å; D140-L144 PolarHBondContact O-N 2.99Å; L144-L148 VanDerWaalsContact O-CB 3.26Å; L144-L148 WeakPolarHBondContact O-CB 3.41Å; L144-L148 WeakPolarHBondContact O-CG 3.34Å; L144-L148 PolarHBondContact O-N 3.07Å
145	L	70.8	Confident	67.1	Low	104 Å²	104	103.7 Å²	103.7	55%	0.545	54%	0.544	S	S	.	.	H	α-helix	trans	-68.7	-44.1	172.1	-82.4	163.3	0	0	0	112	D141 K142 A143 E147 L148 E149	D141-L145 WeakPolarHBondContact O-CB 3.42Å; D141-L145 WeakPolarHBondContact O-CG 3.41Å; D141-L145 PolarHBondContact O-N 3.19Å; K142-L145 PolarHBondContact O-N 3.06Å; A143-L145 VanDerWaalsContact C-N 3.33Å; A143-L145 PolarHBondContact O-N 3.47Å; L145-E147 VanDerWaalsContact C-N 3.29Å; L145-E147 PolarHBondContact O-N 3.3Å; L145-L148 PolarHBondContact O-N 3.33Å; L145-E149 VanDerWaalsContact O-CB 3.28Å; L145-E149 WeakPolarHBondContact O-CB 3.3Å; L145-E149 PolarHBondContact O-N 2.85Å
146	E	75.6	Confident	68.8	Low	107 Å²	107	103.3 Å²	103.3	50%	0.5	54%	0.537	S	S	.	.	H	α-helix	trans	-65	-34.2	175.1	-164.5	-170.4	136.6	0	0	111.7	K142 A143 E149 K150	K142-E146 PolarHBondContact O-N 3.03Å; A143-E146 PolarHBondContact O-N 3.15Å; E146-E149 PolarHBondContact O-N 2.98Å; E146-K150 WeakPolarHBondContact O-CB 3.29Å; E146-K150 WeakPolarHBondContact O-CG 3.47Å; E146-K150 PolarHBondContact O-N 2.98Å; E146-K150 WeakPolarHBondContact OE1-CE 3.47Å; E146-K150 IonicContact OE1-NZ 2.62Å; E146-K150 PolarHBondContact OE1-NZ 3.09Å
147	E	81.6	Confident	70.1	Confident	112 Å²	112	101.2 Å²	101.2	52%	0.523	53%	0.526	S	S	.	.	H	α-helix	trans	-74.6	-38.4	175.9	-172.3	151.8	-151.8	0	0	112.1	A143 L145 E149 K150 Q151	A143-E147 VanDerWaalsContact O-CB 3.27Å; A143-E147 WeakPolarHBondContact O-CB 3.39Å; A143-E147 PolarHBondContact O-N 3.42Å; L145-E147 VanDerWaalsContact C-N 3.29Å; L145-E147 PolarHBondContact O-N 3.3Å; E147-E149 VanDerWaalsContact C-N 3.3Å; E147-E149 PolarHBondContact O-N 3.39Å; E147-K150 PolarHBondContact O-N 2.81Å; E147-Q151 WeakPolarHBondContact O-CB 3.4Å; E147-Q151 VanDerWaalsContact O-CG 3.28Å; E147-Q151 WeakPolarHBondContact O-CG 3.4Å; E147-Q151 PolarHBondContact O-N 3.37Å
148	L	79	Confident	71.5	Confident	88 Å²	88	103.3 Å²	103.3	46%	0.461	53%	0.53	S	S	.	.	H	α-helix	trans	-64.3	-33.7	168.2	-83.7	166.2	0	0	0	112.3	L144 L145 Q151 R152	L144-L148 VanDerWaalsContact O-CB 3.26Å; L144-L148 WeakPolarHBondContact O-CB 3.41Å; L144-L148 WeakPolarHBondContact O-CG 3.34Å; L144-L148 PolarHBondContact O-N 3.07Å; L145-L148 PolarHBondContact O-N 3.33Å; L148-Q151 PolarHBondContact O-N 3.21Å; L148-R152 WeakPolarHBondContact O-CB 2.25Å; L148-R152 VanDerWaalsContact O-CG 3.25Å; L148-R152 WeakPolarHBondContact O-CG 2.25Å; L148-R152 PolarHBondContact O-N 2.81Å
149	E	77.4	Confident	72.2	Confident	142 Å²	142	105.8 Å²	105.8	66%	0.664	54%	0.539	S	S	*	.	H	α-helix	trans	-74.9	-36.5	176.9	-160.5	156.4	-127.5	0	0	111.1	L145 E146 E147 R152 A153	L145-E149 VanDerWaalsContact O-CB 3.28Å; L145-E149 WeakPolarHBondContact O-CB 3.3Å; L145-E149 PolarHBondContact O-N 2.85Å; E146-E149 PolarHBondContact O-N 2.98Å; E147-E149 VanDerWaalsContact C-N 3.3Å; E147-E149 PolarHBondContact O-N 3.39Å; E149-R152 PolarHBondContact O-N 2.49Å; E149-A153 WeakPolarHBondContact O-CB 3.31Å; E149-A153 PolarHBondContact O-N 3.32Å
150	K	81.7	Confident	72.7	Confident	125 Å²	125	105.6 Å²	105.6	54%	0.543	53%	0.531	S	S	.	.	H	α-helix	trans	-64.4	-40.8	166.2	-78.8	169	-175.3	157.9	0	112.6	E146 E147 A153 M154	E146-K150 WeakPolarHBondContact O-CB 3.29Å; E146-K150 WeakPolarHBondContact O-CG 3.47Å; E146-K150 PolarHBondContact O-N 2.98Å; E146-K150 WeakPolarHBondContact OE1-CE 3.47Å; E146-K150 IonicContact OE1-NZ 2.62Å; E146-K150 PolarHBondContact OE1-NZ 3.09Å; E147-K150 PolarHBondContact O-N 2.81Å; K150-A153 PolarHBondContact O-N 2.75Å; K150-M154 VanDerWaalsContact O-CB 3.29Å; K150-M154 WeakPolarHBondContact O-CB 2.24Å; K150-M154 PolarHBondContact O-N 2.9Å
151	Q	79.3	Confident	72.9	Confident	97 Å²	97	103.4 Å²	103.4	45%	0.453	53%	0.525	S	S	.	.	H	α-helix	trans	-65.3	-39.3	174	-76.2	176	5.3	0	0	111.3	E147 L148 M154 I155	E147-Q151 WeakPolarHBondContact O-CB 3.4Å; E147-Q151 VanDerWaalsContact O-CG 3.28Å; E147-Q151 WeakPolarHBondContact O-CG 3.4Å; E147-Q151 PolarHBondContact O-N 3.37Å; L148-Q151 PolarHBondContact O-N 3.21Å; Q151-M154 PolarHBondContact O-N 3.33Å; Q151-I155 WeakPolarHBondContact O-CB 3.37Å; Q151-I155 VanDerWaalsContact O-CG1 3.25Å; Q151-I155 WeakPolarHBondContact O-CG1 3.38Å; Q151-I155 PolarHBondContact O-N 3.31Å
152	R	78.9	Confident	72.6	Confident	190 Å²	190	105.8 Å²	105.8	72%	0.717	53%	0.534	S	S	*	.	H	α-helix	trans	-65.2	-39.8	171.9	-76.6	170.3	178.6	-122.7	-1.2	112.3	L148 E149 K156	L148-R152 WeakPolarHBondContact O-CB 2.25Å; L148-R152 VanDerWaalsContact O-CG 3.25Å; L148-R152 WeakPolarHBondContact O-CG 2.25Å; L148-R152 PolarHBondContact O-N 2.81Å; E149-R152 PolarHBondContact O-N 2.49Å; R152-K156 WeakPolarHBondContact O-CB 3.42Å; R152-K156 PolarHBondContact O-N 2.59Å
153	A	75.3	Confident	72.3	Confident	59 Å²	59	104.5 Å²	104.5	49%	0.488	54%	0.536	S	S	.	.	H	α-helix	trans	-66.7	-37.7	174.5	0	0	0	0	0	111.9	E149 K150 K156 A157	E149-A153 WeakPolarHBondContact O-CB 3.31Å; E149-A153 PolarHBondContact O-N 3.32Å; K150-A153 PolarHBondContact O-N 2.75Å; A153-K156 PolarHBondContact O-N 3.22Å; A153-A157 VanDerWaalsContact O-CB 3.24Å; A153-A157 WeakPolarHBondContact O-CB 2.26Å; A153-A157 PolarHBondContact O-N 3.4Å
154	M	77.6	Confident	71.3	Confident	133 Å²	133	109.7 Å²	109.7	66%	0.655	55%	0.554	S	S	*	*	H	α-helix	trans	-68.9	-47.1	175.6	-174	177	-72.8	0	0	111.5	K150 Q151 K156 A157 E158	K150-M154 VanDerWaalsContact O-CB 3.29Å; K150-M154 WeakPolarHBondContact O-CB 2.24Å; K150-M154 PolarHBondContact O-N 2.9Å; Q151-M154 PolarHBondContact O-N 3.33Å; M154-K156 VanDerWaalsContact C-N 3.29Å; M154-K156 PolarHBondContact O-N 2.6Å; M154-A157 CarbonylContact O-C 3.59Å; M154-A157 PolarHBondContact O-N 2.98Å; M154-E158 VanDerWaalsContact O-CB 3.31Å; M154-E158 WeakPolarHBondContact O-CB 3.39Å; M154-E158 PolarHBondContact O-N 2.72Å
155	I	77.8	Confident	70	Confident	111 Å²	111	111.9 Å²	111.9	57%	0.569	56%	0.561	S	S	*	*	H	α-helix	trans	-61.2	-39.2	173.8	-69.9	165.1	0	0	0	110.6	Q151 E158 L159	Q151-I155 WeakPolarHBondContact O-CB 3.37Å; Q151-I155 VanDerWaalsContact O-CG1 3.25Å; Q151-I155 WeakPolarHBondContact O-CG1 3.38Å; Q151-I155 PolarHBondContact O-N 3.31Å; I155-E158 PolarHBondContact O-N 3.5Å; I155-L159 WeakPolarHBondContact O-CB 3.33Å; I155-L159 PolarHBondContact O-N 3.14Å
156	K	74.9	Confident	68.7	Low	134 Å²	134	109.2 Å²	109.2	58%	0.583	56%	0.559	S	S	*	*	H	α-helix	trans	-66.7	-45.1	175.2	-172.8	-173.4	173.5	-164.4	0	111.6	R152 A153 M154 E158 L159 D160	R152-K156 WeakPolarHBondContact O-CB 3.42Å; R152-K156 PolarHBondContact O-N 2.59Å; A153-K156 PolarHBondContact O-N 3.22Å; M154-K156 VanDerWaalsContact C-N 3.29Å; M154-K156 PolarHBondContact O-N 2.6Å; K156-E158 VanDerWaalsContact C-N 3.28Å; K156-E158 PolarHBondContact O-N 2.87Å; K156-L159 PolarHBondContact O-N 3.41Å; K156-D160 WeakPolarHBondContact O-CB 3.15Å; K156-D160 VanDerWaalsContact O-CG 3.28Å; K156-D160 PolarHBondContact O-N 2.87Å
157	A	70.4	Confident	67.1	Low	60 Å²	60	107 Å²	107	50%	0.496	57%	0.565	S	S	.	*	H	α-helix	trans	-64.8	-32.7	176	0	0	0	0	0	112.2	A153 M154 S161	A153-A157 VanDerWaalsContact O-CB 3.24Å; A153-A157 WeakPolarHBondContact O-CB 2.26Å; A153-A157 PolarHBondContact O-N 3.4Å; M154-A157 CarbonylContact O-C 3.59Å; M154-A157 PolarHBondContact O-N 2.98Å; A157-S161 WeakPolarHBondContact O-CB 3.17Å; A157-S161 PolarHBondContact O-N 3.23Å
158	E	73.6	Confident	65.2	Low	111 Å²	111	111.6 Å²	111.6	52%	0.519	58%	0.583	S	S	.	*	H	α-helix	trans	-75	-34.9	174.2	-170.8	165.7	175.5	0	0	111.6	M154 I155 K156 S161 Q162	M154-E158 VanDerWaalsContact O-CB 3.31Å; M154-E158 WeakPolarHBondContact O-CB 3.39Å; M154-E158 PolarHBondContact O-N 2.72Å; I155-E158 PolarHBondContact O-N 3.5Å; K156-E158 VanDerWaalsContact C-N 3.28Å; K156-E158 PolarHBondContact O-N 2.87Å; E158-S161 PolarHBondContact O-N 3.03Å; E158-Q162 WeakPolarHBondContact O-CB 3.11Å; E158-Q162 VanDerWaalsContact O-CG 3.24Å; E158-Q162 WeakPolarHBondContact O-CG 3.38Å; E158-Q162 PolarHBondContact O-N 3.29Å
159	L	68.1	Low	62.9	Low	102 Å²	102	113.9 Å²	113.9	53%	0.534	60%	0.601	S	S	.	*	H	α-helix	trans	-65.3	-45.5	169.9	-145.4	84.2	0	0	0	111.2	I155 K156 S161 Q162 V163	I155-L159 WeakPolarHBondContact O-CB 3.33Å; I155-L159 PolarHBondContact O-N 3.14Å; K156-L159 PolarHBondContact O-N 3.41Å; L159-S161 VanDerWaalsContact C-N 3.33Å; L159-Q162 PolarHBondContact O-N 2.76Å; L159-V163 WeakPolarHBondContact O-CG2 3.45Å; L159-V163 PolarHBondContact O-N 3.24Å
160	D	60.8	Low	60.7	Low	83 Å²	83	116.3 Å²	116.3	44%	0.444	61%	0.612	S	S	.	*	H	α-helix	trans	-66.4	-35.7	176.9	-70	-25.3	0	0	0	110.5	K156 V163 M164	K156-D160 WeakPolarHBondContact O-CB 3.15Å; K156-D160 VanDerWaalsContact O-CG 3.28Å; K156-D160 PolarHBondContact O-N 2.87Å; D160-V163 PolarHBondContact O-N 2.9Å; D160-M164 WeakPolarHBondContact O-CB 3.44Å; D160-M164 VanDerWaalsContact O-CG 3.23Å; D160-M164 WeakPolarHBondContact O-CG 3.34Å; D160-M164 PolarHBondContact O-N 3.34Å
161	S	64.3	Low	58.5	Low	63 Å²	63	115.5 Å²	115.5	44%	0.441	62%	0.622	S	S	.	*	H	α-helix	trans	-69	-37.8	171.9	-164.1	0	0	0	0	112	A157 E158 L159 V163 M164 E165	A157-S161 WeakPolarHBondContact O-CB 3.17Å; A157-S161 PolarHBondContact O-N 3.23Å; E158-S161 PolarHBondContact O-N 3.03Å; L159-S161 VanDerWaalsContact C-N 3.33Å; S161-V163 VanDerWaalsContact C-N 3.32Å; S161-M164 PolarHBondContact O-N 3.33Å; S161-E165 WeakPolarHBondContact O-CB 3.46Å; S161-E165 PolarHBondContact O-N 3.28Å
162	Q	52.1	Low	56.2	Low	119 Å²	119	114.7 Å²	114.7	56%	0.556	64%	0.639	S	S	*	*	H	α-helix	trans	-68.1	-30.5	172.2	-75.6	175.9	24.9	0	0	112.2	E158 L159 G166	E158-Q162 WeakPolarHBondContact O-CB 3.11Å; E158-Q162 VanDerWaalsContact O-CG 3.24Å; E158-Q162 WeakPolarHBondContact O-CG 3.38Å; E158-Q162 PolarHBondContact O-N 3.29Å; L159-Q162 PolarHBondContact O-N 2.76Å; Q162-G166 VanDerWaalsContact O-CA 3.3Å; Q162-G166 WeakPolarHBondContact O-CA 3.34Å; Q162-G166 PolarHBondContact O-N 3.12Å
163	V	57.3	Low	54.2	Low	104 Å²	104	114.4 Å²	114.4	63%	0.63	65%	0.648	S	S	*	*	H	α-helix	trans	-71.1	-37.5	171.3	168.8	0	0	0	0	111.3	L159 D160 S161	L159-V163 WeakPolarHBondContact O-CG2 3.45Å; L159-V163 PolarHBondContact O-N 3.24Å; D160-V163 PolarHBondContact O-N 2.9Å; S161-V163 VanDerWaalsContact C-N 3.32Å
164	M	47.7	Very low	52	Low	160 Å²	160	114.6 Å²	114.6	79%	0.788	66%	0.657	S	S	*	*	H	α-helix	trans	-78	-29.5	177.8	-69.2	-70.3	-83.4	0	0	113.5	D160 S161	D160-M164 WeakPolarHBondContact O-CB 3.44Å; D160-M164 VanDerWaalsContact O-CG 3.23Å; D160-M164 WeakPolarHBondContact O-CG 3.34Å; D160-M164 PolarHBondContact O-N 3.34Å; S161-M164 PolarHBondContact O-N 3.33Å
165	E	46.9	Very low	49.7	Very low	146 Å²	146	115.7 Å²	115.7	68%	0.682	66%	0.664	S	S	*	*	H	α-helix	trans	-94	-24.2	179	-160.3	161.6	-137.6	0	0	112.6	S161 G167	S161-E165 WeakPolarHBondContact O-CB 3.46Å; S161-E165 PolarHBondContact O-N 3.28Å; E165-G167 PolarHBondContact O-N 3.44Å
166	G	42.8	Very low	47.3	Very low	47 Å²	47	118.6 Å²	118.6	49%	0.485	68%	0.679	S	S	.	*	S	Bend	trans	-75.1	2.1	169.5	0	0	0	0	0	114.8	Q162 K168	Q162-G166 VanDerWaalsContact O-CA 3.3Å; Q162-G166 WeakPolarHBondContact O-CA 3.34Å; Q162-G166 PolarHBondContact O-N 3.12Å; G166-K168 PolarHBondContact O-N 3.5Å
167	G	41.2	Very low	45.1	Very low	62 Å²	62	120.3 Å²	120.3	64%	0.639	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	42.6	-178.3	0	0	0	0	0	116.3	E165	E165-G167 PolarHBondContact O-N 3.44Å
168	K	41.8	Very low	43	Very low	208 Å²	208	123.7 Å²	123.7	90%	0.904	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-161.9	51.7	166.4	-116.3	165.2	-169.2	173.9	0	114.4	G166	G166-K168 PolarHBondContact O-N 3.5Å
169	V	32.3	Very low	40.6	Very low	136 Å²	136	121.6 Å²	121.6	82%	0.824	71%	0.707	S	S	*	*	S	Bend	trans	-114.3	127	157.6	-169.9	0	0	0	0	108.8	S171	V169-S171 PolarHBondContact O-N 2.88Å
170	Q	31.2	Very low	38.6	Very low	192 Å²	192	125.4 Å²	125.4	90%	0.897	72%	0.716	S	S	*	*			trans	-65.2	130.7	-176.5	-72.9	169	-74.8	0	0	111.2	G172	Q170-G172 PolarHBondContact O-N 2.64Å
171	S	35	Very low	37.1	Very low	109 Å²	109	126.4 Å²	126.4	76%	0.762	72%	0.721	S	S	*	*			trans	-62.7	99	166.8	179.8	0	0	0	0	110.1	V169 M173	V169-S171 PolarHBondContact O-N 2.88Å; S171-M173 PolarHBondContact O-N 2.68Å
172	G	30.7	Very low	35.5	Very low	79 Å²	79	129.1 Å²	129.1	81%	0.814	74%	0.74	S	S	*	*			trans	-77.6	36.8	177.9	0	0	0	0	0	114.5	Q170	Q170-G172 PolarHBondContact O-N 2.64Å
173	M	36.2	Very low	34.1	Very low	184 Å²	184	127.5 Å²	127.5	91%	0.906	76%	0.756	S	S	*	*	S	Bend	trans	-129.2	61.9	171.7	-74.3	-169.7	76.3	0	0	111.2	S171	S171-M173 PolarHBondContact O-N 2.68Å
174	G	29.5	Very low	32.7	Very low	64 Å²	64	127.3 Å²	127.3	66%	0.66	76%	0.759	S	S	*	*	S	Bend	trans	-172.1	139	171.9	0	0	0	0	0	112.2
175	L	29.6	Very low	31.6	Very low	155 Å²	155	128.4 Å²	128.4	81%	0.812	76%	0.762	S	S	*	*			trans	67.2	85.7	170.2	-62.8	165.7	0	0	0	118.6
176	I	27.8	Very low	30.7	Very low	172 Å²	172	130.5 Å²	130.5	88%	0.882	77%	0.772	S	S	*	*				-133.8	86.7	123.5	-54.3	-178	0	0	0	108.8
177	L	26.9	Very low	29.9	Very low	170 Å²	170	131.7 Å²	131.7	89%	0.89	78%	0.784	S	S	*	*			trans	-161.8	55	149.5	-146.5	93.8	0	0	0	113.3
178	Q	26.8	Very low	29.3	Very low	132 Å²	132	137.1 Å²	137.1	62%	0.617	80%	0.798	S	S	*	*			trans	-142.3	103.8	159.4	-162.4	162.2	-11.4	0	0	109.5	E951	Q178-E951 VanDerWaalsContact NE2-CD 3.26Å; Q178-E951 PolarHBondContact NE2-OE1 3.27Å; Q178-E951 PolarHBondContact NE2-OE2 2.84Å; Q178-E951 VanDerWaalsContact NE2-OE2 3.14Å
179	G	24.1	Very low	28.5	Very low	66 Å²	66	130.7 Å²	130.7	68%	0.68	79%	0.791	S	S	*	*			trans	-153.1	30.2	-174.7	0	0	0	0	0	112
180	Y	26.5	Very low	28.3	Very low	182 Å²	182	133.8 Å²	133.8	71%	0.714	80%	0.797	S	S	*	*			trans	-148	108.5	173.2	-76.8	-74.3	0	0	0	110.3
181	N	28.1	Very low	28.3	Very low	104 Å²	104	128.2 Å²	128.2	56%	0.556	79%	0.79	S	S	*	*			trans	-165.3	154.7	135	-96.5	-31	0	0	0	112.6	E951	N181-E951 PolarHBondContact ND2-OE1 3.44Å
182	S	30.2	Very low	28	Very low	121 Å²	121	134.8 Å²	134.8	85%	0.846	80%	0.798	S	S	*	*			trans	81.4	84.5	162.8	-55.5	0	0	0	0	118.9
183	G	23.2	Very low	27.8	Very low	85 Å²	85	137.2 Å²	137.2	88%	0.876	80%	0.797	S	S	*	*			trans	-145.4	110.6	150.8	0	0	0	0	0	108.6
184	S	27.6	Very low	27.4	Very low	100 Å²	100	138.6 Å²	138.6	70%	0.699	79%	0.792	S	S	*	*			trans	-116	154.2	-163.7	53.5	0	0	0	0	113.6
185	E	26.1	Very low	27.2	Very low	183 Å²	183	143.2 Å²	143.2	86%	0.855	80%	0.802	S	S	*	*			trans	66.2	146.2	166	-60.4	174	145.2	0	0	114.8
186	E	27.5	Very low	27.1	Very low	189 Å²	189	139 Å²	139	88%	0.883	80%	0.796	S	S	*	*			cis	-124	163.8	-0.3	-63.9	-179.9	132	0	0	106.9
187	G	26.2	Very low	27	Very low	72 Å²	72	139 Å²	139	74%	0.742	79%	0.792	S	S	*	*			cis	111.3	80.5	32.4	0	0	0	0	0	109.3
188	D	27	Very low	27	Very low	177 Å²	177	137.8 Å²	137.8	95%	0.947	78%	0.782	S	S	*	*			trans	-145.4	134.5	163.2	-107.8	-30.8	0	0	0	109
189	G	26.4	Very low	26.9	Very low	73 Å²	73	140.8 Å²	140.8	75%	0.753	79%	0.787	S	S	*	*			trans	-141.5	140.7	-178.2	0	0	0	0	0	111.5
190	E	28.4	Very low	27.1	Very low	201 Å²	201	145 Å²	145	94%	0.939	79%	0.79	S	S	*	*			trans	-126.1	128.1	162	-77.3	-155.2	128.7	0	0	111.1
191	G	29.7	Very low	27.1	Very low	74 Å²	74	145.9 Å²	145.9	76%	0.763	80%	0.797	S	S	*	*			trans	-86.7	154.1	173.7	0	0	0	0	0	112
192	R	28.8	Very low	27.1	Very low	247 Å²	247	144.3 Å²	144.3	93%	0.932	81%	0.805	S	S	*	*			trans	-47.4	147.6	163.5	-73.1	168.7	154.5	165.4	-6	111.6
193	V	27.9	Very low	27	Very low	130 Å²	130	144.1 Å²	144.1	79%	0.788	80%	0.804	S	S	*	*				-179.6	125.6	108.5	150.3	0	0	0	0	113.7
194	R	26.6	Very low	27.2	Very low	213 Å²	213	148.7 Å²	148.7	80%	0.804	81%	0.805	S	S	*	*			trans	31.8	130.8	146.5	-62.6	178.2	164.2	168.5	-5.1	124
195	N	26.1	Very low	27.2	Very low	161 Å²	161	147.3 Å²	147.3	86%	0.861	81%	0.806	S	S	*	*				62.4	125.9	125.1	-60.6	10.9	0	0	0	123
196	G	26.6	Very low	27.4	Very low	66 Å²	66	148.2 Å²	148.2	68%	0.68	81%	0.807	S	S	*	*			trans	172	112.8	151.9	0	0	0	0	0	107.4
197	E	25.8	Very low	28.3	Very low	172 Å²	172	144.6 Å²	144.6	80%	0.804	80%	0.8	S	S	*	*				53	129.6	82	-66	-153.3	109.6	0	0	113
198	Q	27	Very low	29.3	Very low	145 Å²	145	146 Å²	146	68%	0.678	80%	0.797	S	S	*	*			cis	-162.7	142.5	11.5	-115.4	170.8	33.1	0	0	111.9
199	R	25.8	Very low	29.4	Very low	195 Å²	195	143.3 Å²	143.3	74%	0.736	79%	0.791	S	S	*	*			trans	41.9	130.5	138.1	-75	-177.4	161	-156.5	-4.5	124.6
200	Q	27.3	Very low	30.4	Very low	156 Å²	156	145.5 Å²	145.5	73%	0.729	79%	0.792	S	S	*	*			trans	71	144.9	134.4	-64.8	176.8	-18.7	0	0	118.5
201	K	26.5	Very low	30.5	Very low	200 Å²	200	147.8 Å²	147.8	87%	0.87	79%	0.792	S	S	*	*			cis	-129.7	156.2	10.8	-58	168.7	-178.5	172	0	108.3
202	G	27.4	Very low	30.5	Very low	70 Å²	70	148 Å²	148	72%	0.722	79%	0.794	S	S	*	*			cis	99.1	147.6	48.1	0	0	0	0	0	110.2
203	S	28.4	Very low	30.6	Very low	118 Å²	118	147.8 Å²	147.8	83%	0.825	79%	0.793	S	S	*	*			cis	178.7	159.5	-12	42.4	0	0	0	0	107.6
204	M	28.4	Very low	30.7	Very low	181 Å²	181	147.1 Å²	147.1	89%	0.892	79%	0.794	S	S	*	*			cis	-114.3	-124.3	14.6	-60.5	174.3	-80.6	0	0	110.8
205	G	27.6	Very low	30.8	Very low	71 Å²	71	140.8 Å²	140.8	73%	0.732	80%	0.795	S	S	*	*			cis	175.1	150.5	-8.6	0	0	0	0	0	108.8
206	K	29.8	Very low	31	Very low	202 Å²	202	142.7 Å²	142.7	88%	0.878	80%	0.796	S	S	*	*			cis	-146.6	171.2	3.1	-103.8	-179.2	177.3	176.5	0	110.1
207	P	45.8	Very low	31.1	Very low	113 Å²	113	143.7 Å²	143.7	73%	0.734	80%	0.798	S	S	*	*			trans	-118.5	-152.6	-168.1	47.7	-35.6	0	0	0	112.3
208	P	47.4	Very low	31.3	Very low	102 Å²	102	144.9 Å²	144.9	66%	0.662	80%	0.795	S	S	*	*			cis	-146	141	-5.4	35.7	-12.5	0	0	0	119.9
209	S	30.1	Very low	31.5	Very low	120 Å²	120	147 Å²	147	84%	0.839	80%	0.797	S	S	*	*			trans	64	-172.8	146.6	-54.5	0	0	0	0	117.2
210	P	46.8	Very low	31.5	Very low	118 Å²	118	143.3 Å²	143.3	77%	0.766	79%	0.792	S	S	*	*			cis	-136.4	162.9	-6.2	41.5	-23.4	0	0	0	119.5
211	R	30.3	Very low	31.6	Very low	250 Å²	250	140.8 Å²	140.8	94%	0.943	79%	0.791	S	S	*	*			trans	-4.2	132.7	154.4	-62	172.5	168.1	178	-5.3	121.5
212	G	29.4	Very low	31.9	Very low	78 Å²	78	136.8 Å²	136.8	80%	0.804	78%	0.784	S	S	*	*				117.4	144.1	95.2	0	0	0	0	0	122
213	R	31.9	Very low	32	Very low	243 Å²	243	142 Å²	142	92%	0.917	79%	0.789	S	S	*	*			trans	77	128.2	147.3	-121.3	-175	-169.9	-168.8	1.9	121.7
214	S	29.1	Very low	32	Very low	115 Å²	115	140 Å²	140	80%	0.804	78%	0.78	S	S	*	*			trans	60.2	145.8	138.4	61.2	0	0	0	0	122.1
215	G	29	Very low	32.1	Very low	80 Å²	80	136 Å²	136	83%	0.825	77%	0.77	S	S	*	*			trans	159.2	121.2	153.6	0	0	0	0	0	113.7
216	K	29.8	Very low	32.2	Very low	202 Å²	202	142 Å²	142	88%	0.878	78%	0.776	S	S	*	*			trans	-89.1	164.4	170.7	-72.2	178.9	173.6	176.7	0	110.3
217	A	29.9	Very low	32.2	Very low	87 Å²	87	137.1 Å²	137.1	72%	0.719	77%	0.767	S	S	*	*			trans	74	156.1	141.5	0	0	0	0	0	116.6
218	R	29.8	Very low	31.4	Very low	197 Å²	197	136.2 Å²	136.2	74%	0.743	76%	0.763	S	S	*	*			cis	-171.9	150.5	-20.2	-112.3	-177.6	163.9	-174.2	-4.8	104.6
219	R	29.9	Very low	30.6	Very low	189 Å²	189	136.2 Å²	136.2	71%	0.713	77%	0.766	S	S	*	*			trans	64.5	162.4	152	-74.8	173.5	175.4	-171.4	-4.6	114.8
220	D	27.3	Very low	30.5	Very low	118 Å²	118	139.2 Å²	139.2	63%	0.631	76%	0.764	S	S	*	*			cis	-147.2	172.6	-8.3	-122.9	-36.1	0	0	0	108.2
221	S	29.6	Very low	29.7	Very low	103 Å²	103	143 Å²	143	72%	0.72	76%	0.763	S	S	*	*			trans	62.1	141.4	157.9	48.1	0	0	0	0	117.5
222	T	33.1	Very low	29.6	Very low	116 Å²	116	139.1 Å²	139.1	71%	0.712	76%	0.755	S	S	*	*			cis	-155.6	163.8	6.3	-0.1	0	0	0	0	110
223	E	28.3	Very low	29.6	Very low	179 Å²	179	139.2 Å²	139.2	84%	0.836	74%	0.743	S	S	*	*			trans	-2.9	149.2	136.6	-67	177.9	139.6	0	0	118.5
224	A	28.7	Very low	29.5	Very low	75 Å²	75	138.8 Å²	138.8	62%	0.62	74%	0.741	S	S	*	*			cis	-171.4	173.1	-6.7	0	0	0	0	0	109.4
225	S	30.8	Very low	29.6	Very low	99 Å²	99	137.5 Å²	137.5	69%	0.692	73%	0.732	S	S	*	*			trans	68.8	125.2	151.8	72.9	0	0	0	0	117.3
226	K	29.8	Very low	29.8	Very low	197 Å²	197	143 Å²	143	86%	0.857	73%	0.734	S	S	*	*				65.1	132.4	105.5	-64.1	178.3	-177.4	176.1	0	113.6
227	S	29.5	Very low	29.9	Very low	98 Å²	98	137.8 Å²	137.8	69%	0.685	72%	0.723	S	S	*	*			cis	-173.2	167.3	3.4	44	0	0	0	0	111.4
228	S	28.3	Very low	30.1	Very low	95 Å²	95	142.2 Å²	142.2	66%	0.664	73%	0.726	S	S	*	*			trans	67.3	153.6	137.5	59	0	0	0	0	122.1
229	S	31.8	Very low	30.1	Very low	102 Å²	102	141.3 Å²	141.3	71%	0.713	73%	0.73	S	S	*	*			trans	67.9	107.7	158.6	26.3	0	0	0	0	116.8
230	K	28.3	Very low	30.1	Very low	183 Å²	183	144.2 Å²	144.2	80%	0.796	74%	0.741	S	S	*	*				90.6	126.2	59.6	-92.5	-174.8	173.5	169.6	0	112.8
231	R	29.6	Very low	30.2	Very low	198 Å²	198	145.8 Å²	145.8	75%	0.747	76%	0.755	S	S	*	*			trans	77.4	123.5	143.7	-74.7	178.1	165.7	-178.5	-5.8	118.9
232	H	27.4	Very low	30.1	Very low	168 Å²	168	144 Å²	144	78%	0.778	75%	0.753	S	S	*	*			trans	62.7	146.9	130.3	-66.5	-27.9	0	0	0	118.9
233	S	29	Very low	29.9	Very low	79 Å²	79	146.2 Å²	146.2	55%	0.552	75%	0.753	S	S	*	*			cis	-178	162.1	-13.1	54.4	0	0	0	0	107.8
234	R	29.7	Very low	29.9	Very low	234 Å²	234	145.1 Å²	145.1	88%	0.883	75%	0.748	S	S	*	*			trans	67.4	150.8	157.6	-72.9	167.5	165.4	171.7	-5.9	114.9
235	S	32.8	Very low	29.9	Very low	88 Å²	88	147.1 Å²	147.1	62%	0.615	76%	0.757	S	S	*	*			cis	-173.8	173.1	-11.2	51.7	0	0	0	0	110.5
236	K	32.3	Very low	29.7	Very low	195 Å²	195	151.7 Å²	151.7	85%	0.848	77%	0.765	S	S	*	*			trans	75.7	145.8	157.6	-71.4	173.2	179.7	-178.9	0	116.4
237	S	32	Very low	29.6	Very low	93 Å²	93	147.6 Å²	147.6	65%	0.65	76%	0.761	S	S	*	*			cis	-168.2	180	-4.6	44.8	0	0	0	0	112.9
238	K	33.6	Very low	29.5	Very low	180 Å²	180	149.4 Å²	149.4	78%	0.783	76%	0.763	S	S	*	*			trans	90.2	105.4	167.6	-58.5	-175.9	175.9	-177.9	0	115.6
239	E	29.4	Very low	29.4	Very low	179 Å²	179	152.8 Å²	152.8	84%	0.836	77%	0.765	S	S	*	*				90.9	107	51.9	-78.6	-174.7	120.6	0	0	114.7
240	R	30.9	Very low	29.2	Very low	249 Å²	249	153.2 Å²	153.2	94%	0.94	76%	0.764	S	S	*	*				-172.3	149.9	121.2	-103.9	179.3	176.8	-159.7	-2.8	109.8
241	T	28.6	Very low	29.1	Very low	151 Å²	151	149.8 Å²	149.8	93%	0.926	76%	0.759	S	S	*	*			trans	-152.7	155.1	-169.5	44.5	0	0	0	0	113.5
242	G	29.1	Very low	29	Very low	66 Å²	66	149.1 Å²	149.1	68%	0.68	76%	0.761	S	S	*	*			trans	-145.6	118.9	156.3	0	0	0	0	0	106.8
243	K	28.6	Very low	28.9	Very low	163 Å²	163	147 Å²	147	71%	0.709	76%	0.76	S	S	*	*				64	102.5	88.1	-81.4	-169.8	162.6	-70.5	0	111.8
244	E	27.2	Very low	28.9	Very low	155 Å²	155	148.1 Å²	148.1	72%	0.724	77%	0.768	S	S	*	*				85.4	141.7	94.4	-82	166.7	-172.5	0	0	111.2
245	S	28.7	Very low	28.8	Very low	117 Å²	117	145 Å²	145	82%	0.818	76%	0.76	S	S	*	*			cis	-154.5	-179.6	2.7	47.6	0	0	0	0	111.6
246	K	27.9	Very low	28.6	Very low	196 Å²	196	146.3 Å²	146.3	85%	0.852	76%	0.761	S	S	*	*			trans	-80.4	175.5	-174.2	-67.1	176.1	174.1	175.6	0	114.7
247	S	26.3	Very low	28.4	Very low	110 Å²	110	143 Å²	143	77%	0.769	76%	0.756	S	S	*	*			trans	83.3	152.4	148.7	92	0	0	0	0	116.5
248	D	27.4	Very low	28.3	Very low	137 Å²	137	142.7 Å²	142.7	73%	0.733	76%	0.759	S	S	*	*			cis	-159.8	-178.8	-2.2	-144.8	-28.3	0	0	0	111.5
249	K	27.7	Very low	28.2	Very low	165 Å²	165	137.8 Å²	137.8	72%	0.717	75%	0.752	S	S	*	*			trans	74.4	109.9	142.9	-85.2	-179.7	178.7	173.8	0	123
250	T	26	Very low	28.2	Very low	111 Å²	111	139.1 Å²	139.1	68%	0.681	76%	0.755	S	S	*	*				79.1	140.2	118.9	57.4	0	0	0	0	124.8
251	T	27.9	Very low	28.1	Very low	112 Å²	112	130.4 Å²	130.4	69%	0.687	74%	0.743	S	S	*	*			trans	81.5	118.7	136.5	43	0	0	0	0	123.5
252	K	25.8	Very low	28.2	Very low	183 Å²	183	135.4 Å²	135.4	80%	0.796	75%	0.745	S	S	*	*				55.3	121.6	124.1	-72.9	-177.3	175.6	173.5	0	121.9
253	V	26.8	Very low	28.1	Very low	125 Å²	125	135.7 Å²	135.7	76%	0.758	75%	0.748	S	S	*	*				72.8	144.8	122.4	-177.5	0	0	0	0	119.1
254	S	27.8	Very low	28.2	Very low	102 Å²	102	139.6 Å²	139.6	71%	0.713	76%	0.758	S	S	*	*			trans	102.5	115.5	169	-44.8	0	0	0	0	112.9
255	K	27.9	Very low	28.4	Very low	167 Å²	167	137 Å²	137	73%	0.726	76%	0.757	S	S	*	*			cis	80.6	147.2	36.1	-163.9	-171.6	165.9	-69.2	0	112
256	D	28.9	Very low	28.3	Very low	117 Å²	117	141 Å²	141	63%	0.626	76%	0.76	S	S	*	*			trans	79.6	142.8	168	-66.9	-36.5	0	0	0	116.9
257	V	28	Very low	28.4	Very low	125 Å²	125	136.3 Å²	136.3	76%	0.758	75%	0.752	S	S	*	*			cis	-165.1	179.7	-23.7	98.9	0	0	0	0	109.5
258	A	29.1	Very low	28.6	Very low	86 Å²	86	139.6 Å²	139.6	71%	0.711	75%	0.752	S	S	*	*			trans	77.1	151.5	157.3	0	0	0	0	0	118.9
259	A	31.5	Very low	28.6	Very low	77 Å²	77	138.5 Å²	138.5	64%	0.636	74%	0.743	S	S	*	*			cis	-170.4	164.8	-23.2	0	0	0	0	0	109.7
260	K	30	Very low	28.6	Very low	207 Å²	207	140.7 Å²	140.7	90%	0.9	75%	0.747	S	S	*	*			trans	37.4	113.5	146.6	-63.2	162.1	-177.2	172.8	0	116.4
261	G	29.3	Very low	28.8	Very low	66 Å²	66	143.1 Å²	143.1	68%	0.68	75%	0.747	S	S	*	*			cis	101	158.9	36.3	0	0	0	0	0	111.5
262	R	30.3	Very low	28.9	Very low	256 Å²	256	148.6 Å²	148.6	97%	0.966	76%	0.756	S	S	*	*			trans	70.9	146	-167	-48.6	173	171.9	-170.1	-1.3	112.9
263	G	28.3	Very low	29.1	Very low	72 Å²	72	144.9 Å²	144.9	74%	0.742	75%	0.752	S	S	*	*			cis	141.4	125.2	-13.4	0	0	0	0	0	114.8
264	R	30.1	Very low	29.3	Very low	245 Å²	245	148 Å²	148	93%	0.925	76%	0.759	S	S	*	*			trans	84.4	150.5	146.1	-157.6	-178.7	-175.5	-169.3	-0.1	118.6
265	S	30.9	Very low	29.3	Very low	102 Å²	102	149.1 Å²	149.1	71%	0.713	77%	0.767	S	S	*	*			trans	94.6	102.2	163.6	-43	0	0	0	0	114
266	K	27.2	Very low	29.3	Very low	201 Å²	201	145 Å²	145	87%	0.874	77%	0.772	S	S	*	*				73	113	68.5	-86.4	-161.8	171.8	-173.7	0	115.7
267	S	29.8	Very low	29.2	Very low	97 Å²	97	142.9 Å²	142.9	68%	0.678	78%	0.778	S	S	*	*				96.3	141	125.4	76	0	0	0	0	120.4
268	K	30.6	Very low	29.3	Very low	178 Å²	178	148.2 Å²	148.2	77%	0.774	78%	0.784	S	S	*	*			trans	72	147.3	146.2	-85.7	170.2	167	-101.3	0	115.9
269	E	26.3	Very low	29.4	Very low	115 Å²	115	148.8 Å²	148.8	54%	0.537	78%	0.783	S	S	.	*			cis	-170.9	-177.6	-5.6	-163.1	-179.8	107.4	0	0	107.5
270	R	29.1	Very low	29.4	Very low	211 Å²	211	153 Å²	153	80%	0.796	79%	0.787	S	S	*	*			trans	76.6	152	158.6	-63.1	169.8	179	-163.8	-2.1	117.5
271	K	29.1	Very low	29.5	Very low	161 Å²	161	148.6 Å²	148.6	70%	0.7	77%	0.769	S	S	*	*			cis	-174.9	141.9	-32.7	-124.8	-179.9	-177.5	174.4	0	108
272	R	29.5	Very low	29.5	Very low	228 Å²	228	155.5 Å²	155.5	86%	0.86	78%	0.775	S	S	*	*			trans	63.9	160.8	161.6	-62.2	174	168.8	177.5	-7.5	114.9
273	S	31.5	Very low	29.3	Very low	104 Å²	104	149 Å²	149	73%	0.727	76%	0.759	S	S	*	*			cis	-148.7	132.5	2.8	19.8	0	0	0	0	108.1
274	Q	29.2	Very low	29.3	Very low	191 Å²	191	153.6 Å²	153.6	89%	0.893	76%	0.759	S	S	*	*				76.9	96.4	77.9	-149.4	-175.4	30.1	0	0	115.4
275	S	29	Very low	29.1	Very low	125 Å²	125	150.5 Å²	150.5	87%	0.874	75%	0.752	S	S	*	*			trans	172	143.5	135.5	47.5	0	0	0	0	108.4
276	G	27.2	Very low	29	Very low	82 Å²	82	150.9 Å²	150.9	85%	0.845	76%	0.755	S	S	*	*			cis	132.3	94.2	-2.6	0	0	0	0	0	111.2
277	G	27.7	Very low	29.6	Very low	72 Å²	72	147 Å²	147	74%	0.742	75%	0.75	S	S	*	*			trans	161.7	113.8	169	0	0	0	0	0	118.2
278	R	29.9	Very low	29.6	Very low	236 Å²	236	147.6 Å²	147.6	89%	0.891	76%	0.755	S	S	*	*			trans	68.6	103.3	141.5	-68	177.9	173.1	-179.4	-3.4	117.9
279	S	31	Very low	30.1	Very low	98 Å²	98	145.3 Å²	145.3	69%	0.685	76%	0.758	S	S	*	*				80.7	144.4	69.8	75.1	0	0	0	0	113.2
280	K	32.5	Very low	30.1	Very low	166 Å²	166	144.9 Å²	144.9	72%	0.722	77%	0.767	S	S	*	*			cis	-164.4	152.5	20.2	-139	159.5	-178.8	-95.5	0	111.4
281	E	30.1	Very low	30.1	Very low	114 Å²	114	139.1 Å²	139.1	53%	0.533	76%	0.76	S	S	.	*			trans	43.1	119.1	139.4	-71.9	-175.2	115.6	0	0	122.1
282	R	29.6	Very low	30.1	Very low	211 Å²	211	142.8 Å²	142.8	80%	0.796	77%	0.769	S	S	*	*				84.6	121.4	94	-73.4	178.7	175.9	-167.4	-3.9	113.7
283	N	26.9	Very low	30	Very low	119 Å²	119	142.2 Å²	142.2	64%	0.636	77%	0.767	S	S	*	*				87.4	102.4	54.1	-163.7	38.7	0	0	0	113.6
284	K	27.8	Very low	29.8	Very low	170 Å²	170	141.3 Å²	141.3	74%	0.739	77%	0.766	S	S	*	*			trans	75.1	126.7	144.9	-77.4	169.4	-167.1	169.9	0	122.4
285	K	26.4	Very low	29.8	Very low	179 Å²	179	139.2 Å²	139.2	78%	0.778	76%	0.756	S	S	*	*				86.7	112.5	128.4	-78.5	-178.4	172.6	-170.1	0	121.4
286	S	29.5	Very low	29.9	Very low	110 Å²	110	138.9 Å²	138.9	77%	0.769	74%	0.741	S	S	*	*			trans	67.8	173.1	131.5	69.7	0	0	0	0	118.1
287	P	38.9	Very low	30	Very low	119 Å²	119	145.2 Å²	145.2	77%	0.773	74%	0.739	S	S	*	*			cis	-126.9	-176.1	-7.4	33.8	-13.6	0	0	0	114.4
288	S	28.9	Very low	30	Very low	111 Å²	111	147.2 Å²	147.2	78%	0.776	74%	0.742	S	S	*	*			trans	-73.6	164.7	163.8	-44.2	0	0	0	0	111.6
289	P	41.2	Very low	29.9	Very low	129 Å²	129	139.3 Å²	139.3	84%	0.838	73%	0.734	S	S	*	*				-144.5	178.3	95.5	38.8	-23.7	0	0	0	115.2
290	S	26.5	Very low	29.9	Very low	106 Å²	106	146.1 Å²	146.1	74%	0.741	74%	0.744	S	S	*	*			trans	-103.1	158.4	179.7	52.9	0	0	0	0	112.9
291	S	30.6	Very low	29.8	Very low	91 Å²	91	143.4 Å²	143.4	64%	0.636	75%	0.746	S	S	*	*				155.5	155	109.4	67.2	0	0	0	0	114.8
292	R	27.5	Very low	29.9	Very low	238 Å²	238	144.2 Å²	144.2	90%	0.898	75%	0.754	S	S	*	*			trans	69.5	155.1	166.6	-52	169.1	-172.5	-151	-3.4	113.5
293	R	27.6	Very low	30.1	Very low	215 Å²	215	142.6 Å²	142.6	81%	0.811	75%	0.753	S	S	*	*			cis	-152.3	124.9	7.4	-162.7	166.7	178.5	169.1	-2	105.5
294	A	27.6	Very low	30.1	Very low	86 Å²	86	148 Å²	148	71%	0.711	77%	0.765	S	S	*	*				51.7	141	93.4	0	0	0	0	0	116.5
295	E	29.3	Very low	30.2	Very low	146 Å²	146	144.6 Å²	144.6	68%	0.682	76%	0.762	S	S	*	*			trans	81.7	142.6	167.5	-54.8	-162.7	106.9	0	0	116.8
296	Q	31.6	Very low	30.6	Very low	118 Å²	118	141.2 Å²	141.2	55%	0.551	76%	0.761	S	S	*	*			cis	-164.8	159.8	-0.5	-122.3	179.8	34.8	0	0	111.5
297	R	29.5	Very low	31.5	Very low	215 Å²	215	141.7 Å²	141.7	81%	0.811	76%	0.761	S	S	*	*			trans	66.3	155	148.5	-70.4	173.4	-175.6	-165.3	3.8	119.1
298	S	26.8	Very low	31.4	Very low	115 Å²	115	144.1 Å²	144.1	80%	0.804	76%	0.762	S	S	*	*			cis	-173.5	154	-12.9	47.4	0	0	0	0	111.9
299	G	28.6	Very low	32.2	Very low	69 Å²	69	143.9 Å²	143.9	71%	0.711	76%	0.758	S	S	*	*			trans	142.5	108.4	163.5	0	0	0	0	0	113.4
300	R	30.8	Very low	31.7	Very low	241 Å²	241	145.1 Å²	145.1	91%	0.909	76%	0.758	S	S	*	*				65.3	105.7	87.1	-89.1	-173	173.4	-175.8	-2.6	112.6
301	S	29.8	Very low	32	Very low	109 Å²	109	145.3 Å²	145.3	76%	0.762	75%	0.751	S	S	*	*				104.3	148.9	67.9	60.3	0	0	0	0	110.9
302	D	32.8	Very low	32.2	Very low	131 Å²	131	150.3 Å²	150.3	70%	0.701	76%	0.755	S	S	*	*			cis	-176.7	166.8	-20	-164.1	8.7	0	0	0	109.1
303	K	32.7	Very low	32.9	Very low	178 Å²	178	144.9 Å²	144.9	77%	0.774	75%	0.751	S	S	*	*			trans	68	120.1	156.4	-71.2	161.8	-175.1	179.5	0	124.9
304	R	27.4	Very low	33	Very low	233 Å²	233	141.4 Å²	141.4	88%	0.879	75%	0.748	S	S	*	*				-171.4	108.1	106.4	-102.1	-169	173.3	-161.1	-2.7	109.3
305	S	29.6	Very low	33.1	Very low	98 Å²	98	142.9 Å²	142.9	69%	0.685	75%	0.749	S	S	*	*				65.7	134.5	96.5	66	0	0	0	0	114.6
306	S	34.8	Very low	33	Very low	107 Å²	107	142.6 Å²	142.6	75%	0.748	75%	0.748	S	S	*	*			cis	172.6	-173.3	8.5	42.5	0	0	0	0	108.3
307	P	48.1	Very low	32.6	Very low	120 Å²	120	147.9 Å²	147.9	78%	0.779	76%	0.763	S	S	*	*			cis	-130.7	-176.6	-22.9	25.6	-1.6	0	0	0	114.5
308	Q	37.6	Very low	32.4	Very low	170 Å²	170	140.9 Å²	140.9	79%	0.794	76%	0.757	S	S	*	*			trans	-109	157	161.1	-91.5	-156.2	-96.8	0	0	111.2
309	P	45.2	Very low	32.5	Very low	107 Å²	107	140.4 Å²	140.4	70%	0.695	75%	0.754	S	S	*	*				-98.8	168.1	106.3	-22.6	36.9	0	0	0	113.5
310	D	31.6	Very low	32.9	Very low	155 Å²	155	148 Å²	148	83%	0.829	76%	0.761	S	S	*	*			cis	81.1	113.5	20.4	-74.9	-21.9	0	0	0	118.7
311	D	31.6	Very low	32.7	Very low	110 Å²	110	147.3 Å²	147.3	59%	0.588	76%	0.758	S	S	*	*			trans	-167.9	137.9	-173.4	151	39.1	0	0	0	106.5
312	R	36.3	Very low	32.6	Very low	195 Å²	195	146.5 Å²	146.5	74%	0.736	75%	0.753	S	S	*	*			trans	165.4	105.7	153.2	-90.4	-69.6	141	-71.5	-33.3	110.3
313	P	41.3	Very low	33	Very low	124 Å²	124	151.7 Å²	151.7	81%	0.805	76%	0.763	S	S	*	*			trans	-136.4	-178	134	29	-11.3	0	0	0	113.5
314	N	29.9	Very low	33.1	Very low	142 Å²	142	148 Å²	148	76%	0.759	76%	0.759	S	S	*	*			trans	-130.5	168.7	-165.4	-171.4	15.4	0	0	0	110.3
315	T	29.2	Very low	33.4	Very low	117 Å²	117	147.1 Å²	147.1	72%	0.718	76%	0.756	S	S	*	*			trans	69.1	154.6	171.4	76.5	0	0	0	0	115.9
316	E	27.1	Very low	33.2	Very low	141 Å²	141	149.6 Å²	149.6	66%	0.659	76%	0.756	S	S	*	*			cis	-156.9	161.8	-1.5	-143.5	-171.1	-122.7	0	0	110.2
317	R	24.4	Very low	33.2	Very low	229 Å²	229	155.1 Å²	155.1	86%	0.864	76%	0.761	S	S	*	*			trans	60.5	140.5	166.6	-56.5	173.6	-173.5	-147.6	-5.1	116.9
318	G	25.6	Very low	33.1	Very low	68 Å²	68	155.7 Å²	155.7	70%	0.701	77%	0.765	S	S	*	*			cis	135.4	152.7	10.4	0	0	0	0	0	110.1
319	S	28.7	Very low	33	Very low	105 Å²	105	150.6 Å²	150.6	73%	0.734	76%	0.758	S	S	*	*			trans	70.1	104	172.2	-162	0	0	0	0	118.3
320	R	36.8	Very low	32.6	Very low	228 Å²	228	156.3 Å²	156.3	86%	0.86	77%	0.765	S	S	*	*				-175.7	112.5	108.8	-91.9	153.8	-165.3	-152	3.6	108.7
321	R	26.1	Very low	32.8	Very low	226 Å²	226	152.9 Å²	152.9	85%	0.853	75%	0.754	S	S	*	*				58.6	93.2	104.7	-77	-175.4	171	174.6	-2.3	112.3
322	S	28.4	Very low	33	Very low	93 Å²	93	155.8 Å²	155.8	65%	0.65	76%	0.764	S	S	*	*				87.1	140.9	63.9	68.3	0	0	0	0	113.9
323	R	40.7	Very low	32.9	Very low	240 Å²	240	151 Å²	151	91%	0.906	76%	0.76	S	S	*	*			trans	99.7	130.8	173.3	-61.8	171.8	179.8	170.4	-2	113.9
324	S	34.8	Very low	32.5	Very low	100 Å²	100	151.7 Å²	151.7	70%	0.699	75%	0.753	S	S	*	*			cis	-164.1	140.5	-0.7	41.8	0	0	0	0	114.9
325	R	33.7	Very low	32.7	Very low	215 Å²	215	153.8 Å²	153.8	81%	0.811	75%	0.75	S	S	*	*			trans	65	130.8	135.6	-67.1	-160.6	138.7	157.4	-4	119.8
326	E	26.2	Very low	32.8	Very low	149 Å²	149	154.1 Å²	154.1	70%	0.696	74%	0.743	S	S	*	*			cis	-156.2	-127.4	-7.3	-155.9	83	-64.7	0	0	110.1
327	R	33.8	Very low	33.1	Very low	224 Å²	224	155 Å²	155	85%	0.845	74%	0.741	S	S	*	*			trans	-142.7	152.2	168	-117.2	-178.1	173.4	-166.7	-3.3	107.5
328	P	46.5	Very low	33.5	Very low	132 Å²	132	148.2 Å²	148.2	86%	0.857	72%	0.722	S	S	*	*				-140.5	177.2	62.7	36.7	-17.9	0	0	0	113.8
329	G	34.5	Very low	33.8	Very low	63 Å²	63	153.2 Å²	153.2	65%	0.649	72%	0.724	S	S	*	*			cis	172.4	176.8	0.8	0	0	0	0	0	107.8
330	R	36.8	Very low	34	Very low	226 Å²	226	158.3 Å²	158.3	85%	0.853	73%	0.727	S	S	*	*			cis	-169.4	148.9	-1.3	-166.9	-168.5	-171.3	-165.7	2.4	107.6
331	S	37.1	Very low	34.9	Very low	84 Å²	84	152.4 Å²	152.4	59%	0.587	72%	0.719	S	S	*	*			trans	57.7	150.8	153.9	47	0	0	0	0	120.3
332	E	35.2	Very low	35	Very low	170 Å²	170	148.1 Å²	148.1	79%	0.794	72%	0.718	S	S	*	*			cis	-170.1	-168	-24	-130.3	69.1	-90.3	0	0	105
333	S	33.7	Very low	35.1	Very low	95 Å²	95	153.7 Å²	153.7	66%	0.664	73%	0.73	S	S	*	*			cis	-159.4	130.9	-4.4	42.5	0	0	0	0	111.2
334	E	33.7	Very low	34.9	Very low	139 Å²	139	147.7 Å²	147.7	65%	0.65	73%	0.725	S	S	*	*			trans	64.2	120.8	130.6	-57.3	-142.2	132.3	0	0	124.9
335	R	33	Very low	35.8	Very low	186 Å²	186	148.2 Å²	148.2	70%	0.702	73%	0.726	S	S	*	*				70.8	148.3	126.4	-62.1	176.5	-163.4	-159.3	20.3	119.5
336	E	31.7	Very low	35.8	Very low	123 Å²	123	142.6 Å²	142.6	58%	0.575	72%	0.72	S	S	*	*			cis	-171.4	178.8	-11.7	-106.2	-178.5	116.8	0	0	107
337	R	33.6	Very low	36.2	Very low	159 Å²	159	143.4 Å²	143.4	60%	0.6	72%	0.721	S	S	*	*			cis	-158.2	160.5	2.9	-138.7	178.1	-85.3	117.9	8.6	113	R340	R337-R340 PolarHBondContact O-NH2 2.97Å
338	D	33.5	Very low	36.1	Very low	87 Å²	87	138.6 Å²	138.6	47%	0.465	71%	0.712	S	S	.	*			trans	50	148.9	135.5	-90.2	-26.2	0	0	0	127.7	R340	D338-R340 PolarHBondContact O-NE 3.45Å; D338-R340 PolarHBondContact O-NH2 2.85Å
339	K	32.4	Very low	35.5	Very low	174 Å²	174	137 Å²	137	76%	0.757	71%	0.71	S	S	*	*			trans	45.7	118.2	137.5	-63.3	157.9	-171.5	148.1	0	120.8
340	R	32.5	Very low	35.4	Very low	211 Å²	211	138.8 Å²	138.8	80%	0.796	71%	0.713	S	S	*	*			trans	-156	171.1	-177.8	-47	179.8	-168.6	170.8	5.9	107.3	R337 D338	R337-R340 PolarHBondContact O-NH2 2.97Å; D338-R340 PolarHBondContact O-NE 3.45Å; D338-R340 PolarHBondContact O-NH2 2.85Å
341	P	55	Low	35.2	Very low	105 Å²	105	133.6 Å²	133.6	68%	0.682	71%	0.711	S	S	*	*			cis	-142.5	-167.2	1.1	43.9	-24.4	0	0	0	116.1
342	T	29.2	Very low	34.8	Very low	135 Å²	135	133 Å²	133	83%	0.828	72%	0.718	S	S	*	*			trans	80.4	165.5	153.4	61.6	0	0	0	0	123.4
343	K	28.9	Very low	34.6	Very low	210 Å²	210	135.2 Å²	135.2	91%	0.913	73%	0.725	S	S	*	*			trans	79	127.5	-172.6	-86.6	-173.8	178.8	178.2	0	118.7
344	S	37.4	Very low	34.6	Very low	114 Å²	114	139 Å²	139	80%	0.797	73%	0.733	S	S	*	*			trans	-78.5	-172.9	-169.9	-24.7	0	0	0	0	114
345	P	53.1	Low	34.6	Very low	111 Å²	111	140.4 Å²	140.4	72%	0.721	74%	0.744	S	S	*	*			cis	-143.9	179.4	3.2	38.2	-16	0	0	0	118.7
346	S	34.2	Very low	34.5	Very low	97 Å²	97	143.2 Å²	143.2	68%	0.678	76%	0.755	S	S	*	*			trans	70.5	124.7	137.7	65.3	0	0	0	0	125.2
347	K	35.2	Very low	34.7	Very low	167 Å²	167	142.5 Å²	142.5	73%	0.726	76%	0.764	S	S	*	*				95.6	136.8	120.5	-91.4	179.2	147.7	-76.6	0	123.6
348	D	31.3	Very low	35.6	Very low	122 Å²	122	139.4 Å²	139.4	65%	0.652	76%	0.764	S	S	*	*			trans	77.5	108.3	141	-59.6	-17.9	0	0	0	122.8
349	A	34.3	Very low	35.6	Very low	98 Å²	98	139.7 Å²	139.7	81%	0.81	76%	0.762	S	S	*	*				91.5	156.1	114.7	0	0	0	0	0	123.7
350	S	32.7	Very low	35.7	Very low	102 Å²	102	137.1 Å²	137.1	71%	0.713	75%	0.748	S	S	*	*			trans	70.6	122.3	167.9	-159.6	0	0	0	0	117.4
351	S	31.1	Very low	35.6	Very low	117 Å²	117	136.8 Å²	136.8	82%	0.818	75%	0.747	S	S	*	*			cis	89.4	132.7	31.7	92.9	0	0	0	0	115.8
352	G	28.7	Very low	34.3	Very low	72 Å²	72	135.9 Å²	135.9	74%	0.742	76%	0.757	S	S	*	*			trans	114.3	108.5	161.4	0	0	0	0	0	117.2
353	K	32.5	Very low	34.2	Very low	215 Å²	215	133.5 Å²	133.5	94%	0.935	76%	0.758	S	S	*	*				-173.6	139.6	120.9	-101.7	169.1	-177.1	-178.4	0	112.4
354	E	32.3	Very low	34.1	Very low	176 Å²	176	127 Å²	127	82%	0.822	75%	0.751	S	S	*	*			trans	-91.8	169.9	176.2	-57.6	167.5	115.2	0	0	110.5
355	N	33.1	Very low	33.6	Very low	168 Å²	168	128.3 Å²	128.3	90%	0.898	75%	0.754	S	S	*	*				-175.3	159	125.4	-93.1	-17.2	0	0	0	114.2
356	R	31.8	Very low	32.5	Very low	244 Å²	244	127 Å²	127	92%	0.921	75%	0.752	S	S	*	*			trans	-102.7	159.6	-179.5	-73.5	170.1	161.6	157.7	-8.3	111.9
357	S	36	Very low	32.3	Very low	109 Å²	109	130.3 Å²	130.3	76%	0.762	76%	0.761	S	S	*	*			trans	-70.9	176.2	169.7	-31.2	0	0	0	0	111.8
358	P	53	Low	32.2	Very low	94 Å²	94	127.4 Å²	127.4	61%	0.61	76%	0.761	S	S	*	*				-160.7	-177.6	51.7	48.9	-27.2	0	0	0	120.8
359	H	33.7	Very low	32.8	Very low	92 Å²	92	127 Å²	127	43%	0.426	77%	0.766	S	S	.	*			trans	57.4	169.1	161.9	-66.9	-82.7	0	0	0	118.4	V51 G52 E53	V51-H359 VanDerWaalsContact CG1-C 3.46Å; V51-H359 VanDerWaalsContact CG1-CA 3.45Å; V51-H359 PolarHBondContact O-CE1 3.25Å; V51-H359 PolarHBondContact O-ND1 3Å; G52-H359 WeakPolarHBondContact CA-CD2 3.23Å; G52-H359 WeakPolarHBondContact CA-CE1 3.13Å; G52-H359 WeakPolarHBondContact CA-ND1 3.27Å; G52-H359 WeakPolarHBondContact CA-NE2 3.19Å; G52-H359 VanDerWaalsContact N-CA 3.3Å; G52-H359 PolarHBondContact N-CD2 3.22Å; G52-H359 PolarHBondContact N-CE1 2.66Å; G52-H359 VanDerWaalsContact N-CE1 3.31Å; G52-H359 PolarHBondContact N-ND1 2.94Å; G52-H359 PolarHBondContact O-CD2 3.19Å; G52-H359 PolarHBondContact O-CE1 2.85Å; G52-H359 PolarHBondContact O-ND1 3.42Å; G52-H359 PolarHBondContact O-NE2 3.39Å; E53-H359 HydrophobicContact CG-CB 4.16Å; E53-H359 PolarHBondContact N-CD2 3.45Å; E53-H359 PolarHBondContact N-CE1 3.48Å; E53-H359 VanDerWaalsContact N-CG 3.25Å; E53-H359 PolarHBondContact N-NE2 3.49Å; E53-H359 WeakPolarHBondContact OE1-CB 3.35Å
360	R	33.8	Very low	32.8	Very low	121 Å²	121	127 Å²	127	46%	0.457	76%	0.76	S	S	.	*			cis	-162.1	142.5	22	-155.5	-169.2	-140.9	-140.1	5.4	115.3	E53	E53-R360 WeakPolarHBondContact OE1-CD 3.37Å; E53-R360 VanDerWaalsContact OE1-CG 3.24Å; E53-R360 WeakPolarHBondContact OE1-CG 3.4Å; E53-R360 IonicContact OE1-CZ 3.29Å; E53-R360 IonicContact OE1-NE 2.82Å; E53-R360 PolarHBondContact OE1-NE 2.86Å; E53-R360 IonicContact OE2-CZ 3.45Å; E53-R360 IonicContact OE2-NE 2.66Å; E53-R360 PolarHBondContact OE2-NE 3.48Å; E53-R360 IonicContact OE2-NH2 2.76Å; E53-R360 PolarHBondContact OE2-NH2 2.89Å
361	R	31.4	Very low	32.7	Very low	204 Å²	204	132.1 Å²	132.1	77%	0.77	76%	0.764	S	S	*	*			trans	59	122.8	147.4	-84.2	174.8	-171.5	-157.9	0.8	125.2
362	G	27.2	Very low	32.8	Very low	86 Å²	86	135.3 Å²	135.3	89%	0.887	76%	0.758	S	S	*	*				78	152.9	123.2	0	0	0	0	0	119.3
363	G	27.3	Very low	32.8	Very low	84 Å²	84	142.5 Å²	142.5	87%	0.866	76%	0.762	S	S	*	*			cis	151.9	127.2	-5.9	0	0	0	0	0	112.8
364	G	25.8	Very low	32.6	Very low	74 Å²	74	137.4 Å²	137.4	76%	0.763	75%	0.753	S	S	*	*			trans	106.5	118.3	152.4	0	0	0	0	0	120.9
365	V	28.3	Very low	32.5	Very low	141 Å²	141	133.7 Å²	133.7	86%	0.855	75%	0.753	S	S	*	*				70.6	103.1	129.7	-173	0	0	0	0	121
366	A	28.6	Very low	32.2	Very low	83 Å²	83	131 Å²	131	69%	0.686	75%	0.748	S	S	*	*			trans	57.3	139.1	132	0	0	0	0	0	123.1
367	I	29.9	Very low	32.7	Very low	168 Å²	168	125.1 Å²	125.1	86%	0.862	74%	0.741	S	S	*	*				-166.7	133.6	107.9	-91.2	151.1	0	0	0	109.7
368	S	32.9	Very low	32.5	Very low	105 Å²	105	131.4 Å²	131.4	73%	0.734	75%	0.748	S	S	*	*			trans	-91.4	164.8	173.7	-41.4	0	0	0	0	110.3
369	P	45.7	Very low	32.2	Very low	115 Å²	115	132.4 Å²	132.4	75%	0.747	75%	0.754	S	S	*	*				-159.5	127.3	76.5	37.9	-14.7	0	0	0	119.5
370	S	32.3	Very low	31.8	Very low	98 Å²	98	133.8 Å²	133.8	69%	0.685	77%	0.769	S	S	*	*				53.2	143.8	123.5	84.9	0	0	0	0	125.9
371	R	31.5	Very low	31.6	Very low	209 Å²	209	138.2 Å²	138.2	79%	0.789	79%	0.786	S	S	*	*			trans	87.9	138.3	154.7	-61.3	-174.7	173.7	-151.2	-0.3	117.2
372	R	32.5	Very low	31.4	Very low	184 Å²	184	133.8 Å²	133.8	69%	0.694	78%	0.778	S	S	*	*			cis	-166.9	163.8	-3.1	-123.3	177.4	-178.2	-136.7	-2.5	111.8
373	R	29	Very low	31.6	Very low	223 Å²	223	134.1 Å²	134.1	84%	0.842	77%	0.766	S	S	*	*			trans	73.1	148.3	164.4	-70.1	172.4	172.2	170.6	-3.9	115.6
374	S	29.8	Very low	31.7	Very low	107 Å²	107	138.9 Å²	138.9	75%	0.748	77%	0.766	S	S	*	*			cis	-165.3	148	-1.2	35.1	0	0	0	0	114.2
375	A	28.6	Very low	31.9	Very low	99 Å²	99	143.6 Å²	143.6	82%	0.818	77%	0.768	S	S	*	*			trans	78.1	142.8	135.9	0	0	0	0	0	123.6
376	S	26.7	Very low	31.9	Very low	112 Å²	112	141.5 Å²	141.5	78%	0.783	77%	0.766	S	S	*	*			trans	-77.3	-172.6	177.1	-35.9	0	0	0	0	112.5
377	P	42.3	Very low	32.1	Very low	119 Å²	119	143 Å²	143	77%	0.773	77%	0.771	S	S	*	*			cis	-150.2	178.7	17.3	46.3	-25.5	0	0	0	120.2
378	R	31.9	Very low	32.1	Very low	242 Å²	242	140 Å²	140	91%	0.913	77%	0.771	S	S	*	*			trans	-88.2	150.3	146	-75.1	-179.6	168.7	-165.3	-2.7	108.8
379	P	46.8	Very low	31.8	Very low	114 Å²	114	140.3 Å²	140.3	74%	0.74	77%	0.774	S	S	*	*				-153	-171.8	91.1	35.7	-12.5	0	0	0	112.6
380	T	26.5	Very low	31	Very low	121 Å²	121	139 Å²	139	74%	0.742	77%	0.772	S	S	*	*			cis	-139.7	152	24.2	48.9	0	0	0	0	110.6
381	R	28.4	Very low	30.8	Very low	215 Å²	215	139.1 Å²	139.1	81%	0.811	77%	0.773	S	S	*	*				53.1	135.3	67.5	-67.1	-170.6	79.8	168.9	4.9	113.1
382	D	27.8	Very low	30.8	Very low	111 Å²	111	135.8 Å²	135.8	59%	0.594	78%	0.776	S	S	*	*			cis	-154.4	179	4.6	-140	-44.4	0	0	0	113.1
383	S	31.2	Very low	30.7	Very low	92 Å²	92	132.9 Å²	132.9	64%	0.643	78%	0.784	S	S	*	*			trans	-60.8	158.2	179.8	49.5	0	0	0	0	119.3
384	Q	29.3	Very low	30.8	Very low	184 Å²	184	132 Å²	132	86%	0.86	79%	0.787	S	S	*	*			trans	155.5	174	144.3	-87.4	174.3	32.1	0	0	110.8
385	Q	30.6	Very low	30.8	Very low	174 Å²	174	136.2 Å²	136.2	81%	0.813	79%	0.794	S	S	*	*				-163	162.9	-56.5	-160.1	178.4	33.6	0	0	108.5
386	A	28.7	Very low	30.6	Very low	97 Å²	97	134.1 Å²	134.1	80%	0.802	78%	0.783	S	S	*	*			trans	72.4	178.9	157.9	0	0	0	0	0	119.8
387	S	30.9	Very low	30.8	Very low	114 Å²	114	134.6 Å²	134.6	80%	0.797	79%	0.786	S	S	*	*			trans	-149.9	145.9	-149.9	55.8	0	0	0	0	112.1
388	A	30.2	Very low	31	Very low	105 Å²	105	134.1 Å²	134.1	87%	0.868	78%	0.783	S	S	*	*			trans	-172.5	156.8	143.3	0	0	0	0	0	114
389	S	28.1	Very low	31.1	Very low	112 Å²	112	127.3 Å²	127.3	78%	0.783	77%	0.772	S	S	*	*			trans	-79.3	162.3	-171.2	54.8	0	0	0	0	118.5
390	A	28.2	Very low	30.2	Very low	86 Å²	86	132.7 Å²	132.7	71%	0.711	78%	0.778	S	S	*	*				101.3	145	129.4	0	0	0	0	0	122.8
391	S	27.8	Very low	30.3	Very low	101 Å²	101	131.7 Å²	131.7	71%	0.706	78%	0.776	S	S	*	*			trans	62.6	100	146	53.2	0	0	0	0	121.7
392	T	32.4	Very low	30.6	Very low	140 Å²	140	126.3 Å²	126.3	86%	0.859	78%	0.777	S	S	*	*				26.9	123.5	119.1	56.1	0	0	0	0	120.1
393	S	29	Very low	30.6	Very low	123 Å²	123	133 Å²	133	86%	0.86	79%	0.794	S	S	*	*			trans	-131.4	131.4	144.4	59.8	0	0	0	0	111.1
394	K	31.6	Very low	30.8	Very low	205 Å²	205	133.9 Å²	133.9	89%	0.891	80%	0.8	S	S	*	*			trans	-101.5	154.3	163.7	-72.8	177.2	175.7	175.2	0	107.7
395	Q	29.6	Very low	32.1	Very low	194 Å²	194	131 Å²	131	91%	0.907	80%	0.798	S	S	*	*			trans	165.1	139.7	142.2	-79	-102.7	31	0	0	106.8
396	G	25.3	Very low	32.1	Very low	56 Å²	56	127 Å²	127	58%	0.577	79%	0.794	S	S	*	*			cis	157.6	125.7	-9.9	0	0	0	0	0	112.6
397	S	30.9	Very low	32.3	Very low	122 Å²	122	132.2 Å²	132.2	85%	0.853	79%	0.793	S	S	*	*			trans	71.5	164.7	155.7	-68.5	0	0	0	0	117.4
398	P	46.5	Very low	32.4	Very low	109 Å²	109	137.7 Å²	137.7	71%	0.708	80%	0.796	S	S	*	*			cis	-141.9	146.9	21.5	39.9	-19.5	0	0	0	120.8
399	S	32.2	Very low	32.3	Very low	99 Å²	99	136.3 Å²	136.3	69%	0.692	79%	0.792	S	S	*	*			trans	72.4	160.9	137.2	82.3	0	0	0	0	119.6
400	R	29	Very low	32.5	Very low	226 Å²	226	143.2 Å²	143.2	85%	0.853	80%	0.801	S	S	*	*			cis	-159.7	140.3	12.7	-138.5	155.1	-165.6	-151.9	7.6	113.5
401	S	29	Very low	32.8	Very low	101 Å²	101	143.7 Å²	143.7	71%	0.706	80%	0.799	S	S	*	*			trans	25.7	114.4	148.4	62.3	0	0	0	0	124.7
402	A	33.5	Very low	32.8	Very low	101 Å²	101	150 Å²	150	84%	0.835	81%	0.807	S	S	*	*				34.3	131.1	119.7	0	0	0	0	0	124.2
403	R	28.5	Very low	33.2	Very low	252 Å²	252	148.2 Å²	148.2	95%	0.951	80%	0.801	S	S	*	*			trans	-169	146.9	137.1	-114.7	177.3	177.4	-164.1	-0.8	113.9
404	S	35.3	Very low	33.9	Very low	111 Å²	111	148.9 Å²	148.9	78%	0.776	80%	0.802	S	S	*	*			trans	-100.1	-176.7	163.2	-40.8	0	0	0	0	109.5
405	P	56.1	Low	34	Very low	124 Å²	124	144.5 Å²	144.5	81%	0.805	79%	0.788	S	S	*	*			cis	-139.7	-168.6	-5.8	39.4	-18.4	0	0	0	115.6
406	A	31.9	Very low	34	Very low	88 Å²	88	139.6 Å²	139.6	73%	0.727	78%	0.781	S	S	*	*			trans	117.3	117.6	136.9	0	0	0	0	0	123.4
407	R	32.5	Very low	34.3	Very low	207 Å²	207	145.9 Å²	145.9	78%	0.781	79%	0.788	S	S	*	*			trans	69.9	130.4	132.4	-75.7	-172.1	170.3	-152.9	-2	125.3
408	R	32.8	Very low	34.4	Very low	230 Å²	230	149.9 Å²	149.9	87%	0.868	78%	0.784	S	S	*	*			trans	64.2	140.7	148.2	-67.3	176.9	171.1	-177	-4.2	117.5
409	G	28.8	Very low	33.6	Very low	76 Å²	76	154.1 Å²	154.1	78%	0.784	79%	0.786	S	S	*	*			cis	153	143.8	-7.6	0	0	0	0	0	112.3
410	R	31.9	Very low	33.6	Very low	256 Å²	256	156 Å²	156	97%	0.966	79%	0.788	S	S	*	*			trans	-142.6	130.3	162.4	-116.3	-176.3	-175.4	-150.6	1.5	112.1
411	S	34	Very low	33.7	Very low	97 Å²	97	149.3 Å²	149.3	68%	0.678	78%	0.781	S	S	*	*			trans	-74.9	171.2	178.4	51.8	0	0	0	0	112.7
412	R	28.3	Very low	33.8	Very low	232 Å²	232	152 Å²	152	88%	0.875	79%	0.788	S	S	*	*			cis	-164.8	145.6	18.8	-134.1	154.6	-157.5	178.9	4.4	108.8
413	S	40	Very low	33.7	Very low	104 Å²	104	158.4 Å²	158.4	73%	0.727	79%	0.79	S	S	*	*			trans	-80.2	179.6	158.7	-45.4	0	0	0	0	110.4
414	P	43.4	Very low	34.3	Very low	136 Å²	136	152.6 Å²	152.6	88%	0.883	79%	0.785	S	S	*	*				-139	163.4	95.9	37.5	-25	0	0	0	116.4
415	D	35.5	Very low	34	Very low	113 Å²	113	150.1 Å²	150.1	60%	0.604	78%	0.777	S	S	*	*			trans	-117.3	138.8	-178.1	152.7	47.9	0	0	0	108.8	R417	D415-R417 IonicContact OD2-NE 2.82Å; D415-R417 PolarHBondContact OD2-NE 3.11Å
416	A	28.8	Very low	32.7	Very low	92 Å²	92	150.1 Å²	150.1	76%	0.76	78%	0.78	S	S	*	*			trans	-159.6	120.5	161.2	0	0	0	0	0	108.9
417	R	32	Very low	32.9	Very low	187 Å²	187	151.4 Å²	151.4	71%	0.706	78%	0.784	S	S	*	*			cis	96.9	138.3	35.7	-76.4	-174.6	-177.2	-149.7	2.5	113.9	D415	D415-R417 IonicContact OD2-NE 2.82Å; D415-R417 PolarHBondContact OD2-NE 3.11Å
418	R	31.7	Very low	33.6	Very low	207 Å²	207	147.1 Å²	147.1	78%	0.781	78%	0.783	S	S	*	*			trans	74.8	158.8	162.6	-63.3	158.5	-174.7	-98.2	7.3	116.6
419	R	31	Very low	33.4	Very low	197 Å²	197	143.5 Å²	143.5	74%	0.743	78%	0.78	S	S	*	*			cis	-172.4	146.8	-40.3	-143.8	-167.2	-106.2	173.8	-11.4	106.1
420	D	31.5	Very low	33.5	Very low	138 Å²	138	149.8 Å²	149.8	74%	0.738	78%	0.78	S	S	*	*			trans	50	127.4	159.4	-48.1	-36.8	0	0	0	120.8
421	A	30.6	Very low	33.5	Very low	86 Å²	86	145.7 Å²	145.7	71%	0.711	77%	0.769	S	S	*	*				178.6	143.9	120.1	0	0	0	0	0	113.9
422	D	32.2	Very low	33.1	Very low	157 Å²	157	151.8 Å²	151.8	84%	0.84	78%	0.777	S	S	*	*			trans	71.4	114.6	145.9	-56.9	-20.6	0	0	0	125
423	R	32	Very low	33.2	Very low	236 Å²	236	147.8 Å²	147.8	89%	0.891	77%	0.772	S	S	*	*			trans	-69.5	152.2	140.9	-118.5	-179.7	178.8	172.3	-0.3	108.6
424	P	39.8	Very low	32.9	Very low	130 Å²	130	152 Å²	152	84%	0.844	77%	0.772	S	S	*	*				-131.7	-174.4	60.1	14.8	10.7	0	0	0	111.2
425	G	28.5	Very low	32.9	Very low	59 Å²	59	150.9 Å²	150.9	61%	0.608	77%	0.765	S	S	*	*			cis	140.5	141.2	13.1	0	0	0	0	0	109.2
426	S	29.3	Very low	32.6	Very low	125 Å²	125	152 Å²	152	87%	0.874	77%	0.766	S	S	*	*			trans	54.7	121.9	166.5	56.3	0	0	0	0	122
427	S	36.9	Very low	32.7	Very low	115 Å²	115	151.6 Å²	151.6	80%	0.804	76%	0.763	S	S	*	*			trans	-73.1	158.7	148.2	-48.5	0	0	0	0	110.6
428	P	46.7	Very low	32.5	Very low	117 Å²	117	146.3 Å²	146.3	76%	0.76	77%	0.767	S	S	*	*				-153.8	139.7	102.7	35.9	-16.8	0	0	0	118.6
429	L	29.5	Very low	33.2	Very low	154 Å²	154	142.9 Å²	142.9	81%	0.806	77%	0.771	S	S	*	*			trans	23.7	127.5	130.7	-68	164.3	0	0	0	122.8
430	R	30.6	Very low	33.1	Very low	208 Å²	208	137.6 Å²	137.6	79%	0.785	78%	0.778	S	S	*	*				112.7	145.5	110.3	-110.5	178	168.6	-164.1	-3.6	122.3
431	K	30.6	Very low	33	Very low	170 Å²	170	135 Å²	135	74%	0.739	78%	0.784	S	S	*	*			trans	77.3	151.1	158.5	-61.5	158.3	176.7	178.3	0	114.5
432	R	26.6	Very low	33	Very low	224 Å²	224	143.1 Å²	143.1	85%	0.845	80%	0.796	S	S	*	*			cis	-135	139.9	21.6	-83.8	-172	168.9	176.3	-3.7	111.6
433	I	29.5	Very low	33	Very low	149 Å²	149	140.1 Å²	140.1	76%	0.764	79%	0.793	S	S	*	*				89.4	136	80	-62.8	171.8	0	0	0	115.2
434	R	33.6	Very low	32.9	Very low	193 Å²	193	140.3 Å²	140.3	73%	0.728	79%	0.794	S	S	*	*			trans	-58.4	171.3	176.6	-133.1	-176.6	-174.9	-154.7	-5.6	114.8	E436	R434-E436 IonicContact CZ-OE1 3.33Å; R434-E436 IonicContact NE-OE1 3.99Å; R434-E436 IonicContact NH1-OE1 2.79Å; R434-E436 PolarHBondContact NH1-OE1 3.24Å; R434-E436 IonicContact NH2-OE1 3.92Å
435	P	44.4	Very low	32.5	Very low	112 Å²	112	139.3 Å²	139.3	73%	0.727	79%	0.79	S	S	*	*				-146.7	158.4	78.6	38.6	-17.8	0	0	0	115
436	E	29.3	Very low	32.5	Very low	136 Å²	136	146.8 Å²	146.8	64%	0.636	80%	0.8	S	S	*	*				59.9	154.2	97.8	-50.6	-66.9	133	0	0	116.8	R434	R434-E436 IonicContact CZ-OE1 3.33Å; R434-E436 IonicContact NE-OE1 3.99Å; R434-E436 IonicContact NH1-OE1 2.79Å; R434-E436 PolarHBondContact NH1-OE1 3.24Å; R434-E436 IonicContact NH2-OE1 3.92Å
437	A	30.2	Very low	32.4	Very low	84 Å²	84	148.4 Å²	148.4	69%	0.694	79%	0.794	S	S	*	*			cis	-174.8	144.5	-35.6	0	0	0	0	0	112.2
438	G	28	Very low	32.1	Very low	76 Å²	76	149.7 Å²	149.7	78%	0.784	80%	0.797	S	S	*	*			trans	73	177.2	157.2	0	0	0	0	0	119.4
439	P	46.1	Very low	31.4	Very low	134 Å²	134	149.4 Å²	149.4	87%	0.87	80%	0.798	S	S	*	*			cis	-135.8	159.5	-14.5	39.9	-23.6	0	0	0	116.5
440	G	28.6	Very low	32.2	Very low	87 Å²	87	147.4 Å²	147.4	90%	0.897	79%	0.794	S	S	*	*			trans	67.3	125	141.4	0	0	0	0	0	122.7
441	G	30.2	Very low	32.3	Very low	83 Å²	83	149.4 Å²	149.4	86%	0.856	80%	0.801	S	S	*	*			trans	-173.3	139	165.4	0	0	0	0	0	115.6
442	R	30.6	Very low	32.2	Very low	256 Å²	256	144.8 Å²	144.8	97%	0.966	80%	0.803	S	S	*	*			trans	-107.4	174.8	175.1	-83.7	177.6	167.2	179.3	-3.1	111.1
443	A	31.3	Very low	32.6	Very low	95 Å²	95	138.9 Å²	138.9	79%	0.785	80%	0.801	S	S	*	*			trans	77.4	138.1	177.5	0	0	0	0	0	114.8
444	R	29.9	Very low	33.4	Very low	240 Å²	240	137 Å²	137	91%	0.906	80%	0.799	S	S	*	*			cis	68.6	87	39.4	-74.2	-166.5	175.3	179.5	-0.4	115
445	S	31.4	Very low	33.4	Very low	109 Å²	109	135 Å²	135	76%	0.762	80%	0.797	S	S	*	*				149.2	140.7	111	-64.9	0	0	0	0	115.3
446	R	29	Very low	33.1	Very low	216 Å²	216	138.7 Å²	138.7	82%	0.815	80%	0.797	S	S	*	*			trans	67.9	121.3	146	-85.4	-178.5	163.2	149.7	-1.9	122.9
447	E	27.9	Very low	33.3	Very low	158 Å²	158	144.1 Å²	144.1	74%	0.738	81%	0.812	S	S	*	*				41.3	130.3	122.4	-64.1	177.7	-133.2	0	0	121.2
448	T	31.1	Very low	33.5	Very low	143 Å²	143	150.8 Å²	150.8	88%	0.877	82%	0.819	S	S	*	*				-161.3	142.9	118.4	9.5	0	0	0	0	112.4
449	S	30.5	Very low	33.7	Very low	110 Å²	110	154 Å²	154	77%	0.769	82%	0.815	S	S	*	*			trans	-107.3	-160.7	161.7	-54	0	0	0	0	107.3
450	P	46.8	Very low	33.2	Very low	112 Å²	112	152.3 Å²	152.3	73%	0.727	81%	0.807	S	S	*	*			cis	-139.7	-175.6	-10.6	40.8	-20.9	0	0	0	115.7
451	R	32	Very low	33.3	Very low	250 Å²	250	159.7 Å²	159.7	94%	0.943	81%	0.807	S	S	*	*			trans	16.2	149.7	141.3	-61.7	176.1	174.5	-160.1	-2.7	121
452	G	29.2	Very low	33.5	Very low	74 Å²	74	160 Å²	160	76%	0.763	80%	0.797	S	S	*	*			cis	167.6	-176.8	4.5	0	0	0	0	0	114.9
453	A	35.2	Very low	34.9	Very low	99 Å²	99	153.6 Å²	153.6	82%	0.818	79%	0.788	S	S	*	*			trans	-71	179.6	-175.7	0	0	0	0	0	115.2
454	P	46.9	Very low	34.9	Very low	109 Å²	109	158.6 Å²	158.6	71%	0.708	79%	0.792	S	S	*	*				-160.2	-171	108.2	37.4	-15.4	0	0	0	118.2
455	Q	33.3	Very low	35	Very low	151 Å²	151	158.5 Å²	158.5	71%	0.706	79%	0.792	S	S	*	*			trans	98.7	150.5	156.7	-49.6	-136	99.5	0	0	118.2
456	R	36.7	Very low	35.2	Very low	190 Å²	190	164.7 Å²	164.7	72%	0.717	80%	0.799	S	S	*	*			cis	-174.8	134.9	-44.6	-107.8	155.4	-175.8	161.5	-1.1	109.9
457	R	35.1	Very low	35.3	Very low	251 Å²	251	165.8 Å²	165.8	95%	0.947	80%	0.803	S	S	*	*			trans	-165.3	164.2	173.2	-87.2	117.7	-165.5	-149.3	1.1	108.7
458	R	33.4	Very low	35.5	Very low	223 Å²	223	162.4 Å²	162.4	84%	0.842	80%	0.797	S	S	*	*			cis	-137.7	-62.4	-1.6	-172	-176.9	168.9	158.9	-0.5	114.3
459	M	33.4	Very low	36.1	Very low	143 Å²	143	161.1 Å²	161.1	70%	0.704	79%	0.791	S	S	*	*			trans	-161.9	168.1	-157.2	-92.1	166.9	65.6	0	0	110.2
460	S	34.8	Very low	36.5	Very low	99 Å²	99	159.8 Å²	159.8	69%	0.692	78%	0.781	S	S	*	*			cis	-168.4	155	-13	45.8	0	0	0	0	109.3
461	R	31.7	Very low	36.6	Very low	242 Å²	242	160 Å²	160	91%	0.913	78%	0.783	S	S	*	*			cis	-134.2	-122.2	14.6	-158.5	175.3	-178	168.3	0.8	113
462	S	34.3	Very low	36.4	Very low	91 Å²	91	156.8 Å²	156.8	64%	0.636	78%	0.776	S	S	*	*			trans	-160.3	141.7	-164.8	56.1	0	0	0	0	116.2
463	P	59.3	Low	36.6	Very low	120 Å²	120	163.8 Å²	163.8	78%	0.779	78%	0.78	S	S	*	*			trans	-110.9	174.2	-179.8	41.4	-35	0	0	0	116.5
464	F	30.9	Very low	36.4	Very low	200 Å²	200	168.8 Å²	168.8	88%	0.877	78%	0.777	S	S	*	*			trans	-150.5	177.6	177.9	-84.8	-72.1	0	0	0	110.6
465	R	33	Very low	35.7	Very low	238 Å²	238	174.4 Å²	174.4	90%	0.898	78%	0.784	S	S	*	*			cis	-135.2	-122.1	19.9	-159.6	179.6	-174.4	-174.3	2	112
466	R	34.6	Very low	35.5	Very low	240 Å²	240	172.1 Å²	172.1	91%	0.906	79%	0.785	S	S	*	*			trans	-154.9	161.9	-177	-76.8	-169.4	174.8	-173.1	-2	113.3
467	R	31.5	Very low	35	Very low	239 Å²	239	174.3 Å²	174.3	90%	0.902	79%	0.793	S	S	*	*			trans	68.5	-173.3	168.4	-136.5	-153.4	176.5	-173.4	0.4	117.4
468	S	31.6	Very low	34.8	Very low	86 Å²	86	167.5 Å²	167.5	60%	0.601	78%	0.784	S	S	*	*			trans	179.6	176.2	-153.6	53.4	0	0	0	0	107.1
469	P	43.5	Very low	35.4	Very low	117 Å²	117	162.3 Å²	162.3	76%	0.76	78%	0.78	S	S	*	*			cis	-111.8	-126.8	0.3	41.8	-28.8	0	0	0	112
470	S	40.5	Very low	35.1	Very low	81 Å²	81	162.8 Å²	162.8	57%	0.566	78%	0.782	S	S	*	*			trans	-142.9	163	-173.9	62.3	0	0	0	0	111.8	F472	S470-F472 VanDerWaalsContact O-CE1 3.23Å; S470-F472 WeakPolarHBondContact O-CE1 3.24Å
471	P	48.7	Very low	34.7	Very low	118 Å²	118	166.4 Å²	166.4	77%	0.766	78%	0.78	S	S	*	*			trans	-74.3	-175.6	170.2	32.7	-37.2	0	0	0	113.2
472	F	26.6	Very low	34.6	Very low	182 Å²	182	162.7 Å²	162.7	80%	0.798	77%	0.766	S	S	*	*			trans	-139.8	166.5	-169.6	-23.5	-73.2	0	0	0	113.3	S470	S470-F472 VanDerWaalsContact O-CE1 3.23Å; S470-F472 WeakPolarHBondContact O-CE1 3.24Å
473	R	33.3	Very low	34.3	Very low	221 Å²	221	168.3 Å²	168.3	83%	0.834	77%	0.773	S	S	*	*			trans	70.8	143.7	-177.8	-68.2	178.7	170.9	-164.1	-2.3	113.6
474	R	31.8	Very low	32.8	Very low	204 Å²	204	167.6 Å²	167.6	77%	0.77	77%	0.771	S	S	*	*			cis	-149.8	170.4	14.1	-128.8	166.4	-163.9	-140.7	7.1	112.3
475	R	31.5	Very low	33.5	Very low	226 Å²	226	162.9 Å²	162.9	85%	0.853	76%	0.761	S	S	*	*			trans	-24.2	156.9	169.9	-63.7	172.6	165.7	171.6	-6.2	117
476	S	29.4	Very low	33.2	Very low	103 Å²	103	158.1 Å²	158.1	72%	0.72	75%	0.749	S	S	*	*			cis	-162.1	172	39.7	-37.4	0	0	0	0	109.9
477	R	26.4	Very low	32.9	Very low	236 Å²	236	155.2 Å²	155.2	89%	0.891	74%	0.738	S	S	*	*			cis	-159.7	162.6	11.2	-131.6	160.9	-170	172.7	1.3	107.3
478	S	31.4	Very low	32.7	Very low	109 Å²	109	148.5 Å²	148.5	76%	0.762	72%	0.72	S	S	*	*			trans	-137.7	-165.7	173.5	-30	0	0	0	0	107.9
479	P	45	Very low	32.4	Very low	114 Å²	114	152.5 Å²	152.5	74%	0.74	72%	0.722	S	S	*	*			cis	-84.5	-133.6	-10.9	12.1	10	0	0	0	110.3
480	M	26.6	Very low	31.6	Very low	153 Å²	153	157.1 Å²	157.1	75%	0.754	73%	0.726	S	S	*	*			cis	-154.8	166.7	8.6	-82.7	-156.7	-154.4	0	0	108
481	R	28.3	Very low	31.1	Very low	174 Å²	174	156.1 Å²	156.1	66%	0.657	73%	0.729	S	S	*	*			cis	-162.1	141	-10.2	-120.9	-175.3	169.5	-149.7	4.8	107.5
482	R	28.8	Very low	30.2	Very low	165 Å²	165	161.9 Å²	161.9	62%	0.623	74%	0.735	S	S	*	*			trans	56	149.6	139.2	-65.6	176.7	-178.3	-158.8	-2.4	119
483	R	27.4	Very low	30.2	Very low	208 Å²	208	161.2 Å²	161.2	79%	0.785	74%	0.739	S	S	*	*			cis	-162.7	142.9	5.5	-127.3	172.5	-177	170.9	-5.9	108.8
484	S	28.4	Very low	30.1	Very low	105 Å²	105	160.6 Å²	160.6	73%	0.734	74%	0.736	S	S	*	*			trans	-80.5	-178.6	148.9	-38.8	0	0	0	0	108.9
485	P	45	Very low	30.1	Very low	102 Å²	102	156.3 Å²	156.3	66%	0.662	73%	0.725	S	S	*	*			cis	-140.4	-160	2.9	39.3	-16.3	0	0	0	114.1
486	E	27.6	Very low	30	Very low	138 Å²	138	155.2 Å²	155.2	65%	0.645	72%	0.722	S	S	*	*			trans	21.8	142.3	133.9	-76.4	178.6	99.3	0	0	119
487	R	26.8	Very low	29.9	Very low	179 Å²	179	153.5 Å²	153.5	68%	0.675	72%	0.721	S	S	*	*				170.4	168.7	55.5	-135.7	172.5	-146.9	-153.4	7.1	110.9
488	D	27.9	Very low	30	Very low	98 Å²	98	153 Å²	153	52%	0.524	72%	0.72	S	S	.	*			trans	42.7	148.3	137.5	-70.8	-24.9	0	0	0	120.9
489	R	26.4	Very low	29.9	Very low	169 Å²	169	158.9 Å²	158.9	64%	0.638	73%	0.725	S	S	*	*			cis	-175.8	173.5	1.4	-114.5	166	-149.2	-179.3	28.9	108.3
490	Y	26.3	Very low	29.1	Very low	214 Å²	214	158.6 Å²	158.6	84%	0.839	73%	0.725	S	S	*	*			trans	31.7	131.7	150.7	-62.6	-63.6	0	0	0	120
491	G	29.5	Very low	29	Very low	61 Å²	61	158.8 Å²	158.8	63%	0.629	73%	0.73	S	S	*	*			cis	143.7	-176.6	11.3	0	0	0	0	0	111.1
492	R	29.7	Very low	29.1	Very low	239 Å²	239	155.5 Å²	155.5	90%	0.902	73%	0.733	S	S	*	*			trans	72	120.5	-174.9	-53.8	-178	-170.6	-140.9	-0.4	113.1
493	L	27.5	Very low	29.1	Very low	167 Å²	167	158.9 Å²	158.9	87%	0.874	75%	0.746	S	S	*	*			cis	63.7	97.5	27.1	-165.4	81.7	0	0	0	115
494	R	30.2	Very low	29.2	Very low	209 Å²	209	156.7 Å²	156.7	79%	0.789	75%	0.75	S	S	*	*			trans	-168.1	147.2	140.5	-90.4	-169.1	177.4	-166.5	-0.1	105.1
495	Q	31.1	Very low	29.2	Very low	113 Å²	113	162.1 Å²	162.1	53%	0.528	75%	0.754	S	S	.	*			cis	-159.8	162.2	10.8	-121.2	164.1	-18.6	0	0	111.4
496	Y	30.9	Very low	28.5	Very low	203 Å²	203	162.1 Å²	162.1	80%	0.796	75%	0.749	S	S	*	*			trans	31.4	137.1	158.5	-46.8	-54.2	0	0	0	121.6
497	G	25.6	Very low	28.6	Very low	68 Å²	68	164.4 Å²	164.4	70%	0.701	75%	0.752	S	S	*	*			cis	104	85.8	0.9	0	0	0	0	0	115.7
498	R	29.9	Very low	28.7	Very low	226 Å²	226	164.9 Å²	164.9	85%	0.853	75%	0.753	S	S	*	*			trans	-168.9	132.9	152.3	-99	165.4	-163.8	-98.7	3.6	106.9
499	R	27.9	Very low	28.8	Very low	231 Å²	231	171 Å²	171	87%	0.872	77%	0.769	S	S	*	*				52	136.1	80.2	-77.1	-171.1	177.7	-173.4	1.1	112.8
500	S	29.1	Very low	29	Very low	108 Å²	108	174.5 Å²	174.5	76%	0.755	78%	0.782	S	S	*	*			cis	-168.7	161.8	-0.8	176.1	0	0	0	0	109.7
501	N	23.6	Very low	29.1	Very low	157 Å²	157	173.6 Å²	173.6	84%	0.84	79%	0.785	S	S	*	*			trans	-40.8	140	168.2	-64.2	-8.3	0	0	0	115.2
502	S	30.3	Very low	28.9	Very low	105 Å²	105	173.7 Å²	173.7	73%	0.734	79%	0.786	S	S	*	*				173.2	112	103.7	-168.2	0	0	0	0	108.2
503	R	29.5	Very low	29	Very low	237 Å²	237	172.9 Å²	172.9	89%	0.894	78%	0.783	S	S	*	*				40.3	115.5	98.1	-79.3	-173.8	178.1	174.3	0.1	113.9
504	D	29.4	Very low	29.2	Very low	162 Å²	162	170 Å²	170	87%	0.866	77%	0.769	S	S	*	*			trans	-129.4	160.9	136	-133.8	-36.9	0	0	0	111.3
505	R	28.6	Very low	29.2	Very low	219 Å²	219	167.9 Å²	167.9	83%	0.826	77%	0.768	S	S	*	*			trans	-89.3	161	178.9	-78.8	176.7	168.4	161.8	-5.1	109.3
506	D	30.7	Very low	29.4	Very low	102 Å²	102	169 Å²	169	55%	0.545	78%	0.777	S	S	.	*				-178.7	155.7	76.4	-118.4	-27.2	0	0	0	114.6
507	R	30.1	Very low	29.4	Very low	186 Å²	186	169.6 Å²	169.6	70%	0.702	78%	0.784	S	S	*	*			trans	58.3	154.2	143.3	-66.1	166.1	-150.1	-175.6	18.4	120.1
508	R	28.7	Very low	29.7	Very low	189 Å²	189	175.4 Å²	175.4	71%	0.713	79%	0.79	S	S	*	*			cis	-170.3	148.8	-24.5	-112.8	175.6	-170.3	175	2	107.1
509	R	29.9	Very low	29.7	Very low	227 Å²	227	174.2 Å²	174.2	86%	0.857	79%	0.791	S	S	*	*			trans	70.7	137.6	149.6	-69.2	176.6	175	179.1	-4.4	121
510	R	29.5	Very low	29.9	Very low	241 Å²	241	166 Å²	166	91%	0.909	78%	0.779	S	S	*	*			trans	-63	155.3	171.2	-56.2	164.1	167.9	172.2	-8	114.1
511	H	28.8	Very low	30.2	Very low	196 Å²	196	166.5 Å²	166.5	91%	0.907	78%	0.783	S	S	*	*				-160.8	149.8	126.7	-130.9	-87.3	0	0	0	113.1
512	G	26.6	Very low	30.5	Very low	63 Å²	63	166.7 Å²	166.7	65%	0.649	78%	0.783	S	S	*	*			trans	60.9	118.5	152.6	0	0	0	0	0	118.9
513	R	30.3	Very low	30.7	Very low	221 Å²	221	167 Å²	167	83%	0.834	79%	0.785	S	S	*	*			cis	68.8	118.8	33.9	-120.3	-160.7	-176.1	-121.3	8.7	115.4
514	D	31.9	Very low	30.8	Very low	107 Å²	107	164.9 Å²	164.9	57%	0.572	79%	0.785	S	S	*	*			trans	59.7	148.8	155.2	-43.7	-25.9	0	0	0	117.9
515	E	30.4	Very low	30.8	Very low	164 Å²	164	160.6 Å²	160.6	77%	0.766	78%	0.779	S	S	*	*			cis	-162.6	163.2	-10.3	-121.6	173	-168.3	0	0	109.4
516	D	35.6	Very low	30.9	Very low	137 Å²	137	159.3 Å²	159.3	73%	0.733	79%	0.785	S	S	*	*			trans	27	138.4	154.5	-68.6	-2.5	0	0	0	124.5
517	K	30.7	Very low	30.8	Very low	215 Å²	215	162.9 Å²	162.9	94%	0.935	80%	0.796	S	S	*	*				-166.5	139.3	116.5	-101	144.8	-166.8	168.1	0	114.5
518	F	31.5	Very low	30.8	Very low	190 Å²	190	158.2 Å²	158.2	83%	0.833	80%	0.796	S	S	*	*			trans	-101.6	161.2	177.2	-174.9	-91.9	0	0	0	111.9
519	K	30.4	Very low	31	Very low	201 Å²	201	152.7 Å²	152.7	87%	0.874	78%	0.781	S	S	*	*			trans	123.9	132.2	169.7	-75	176.4	177.9	-174.8	0	111.8
520	G	32	Very low	31.1	Very low	60 Å²	60	149.3 Å²	149.3	62%	0.619	77%	0.773	S	S	*	*			cis	162.6	154	-9.1	0	0	0	0	0	112.3
521	S	36.5	Very low	31.1	Very low	118 Å²	118	145 Å²	145	83%	0.825	76%	0.763	S	S	*	*			trans	62	157.8	156.6	-54	0	0	0	0	119.9
522	L	30	Very low	31.2	Very low	160 Å²	160	141 Å²	141	84%	0.838	76%	0.757	S	S	*	*			cis	-167.4	151.8	-22.3	-104.7	172.5	0	0	0	107.8
523	S	33.5	Very low	31.4	Very low	113 Å²	113	141.3 Å²	141.3	79%	0.79	75%	0.749	S	S	*	*			trans	152.2	156.1	154.2	47.2	0	0	0	0	111.9
524	E	31.9	Very low	31.5	Very low	192 Å²	192	138.1 Å²	138.1	90%	0.897	74%	0.744	S	S	*	*			cis	-170.5	143	-33.2	-170.8	172.3	172.4	0	0	107.9
525	G	29.3	Very low	31.4	Very low	71 Å²	71	141.4 Å²	141.4	73%	0.732	76%	0.756	S	S	*	*			trans	106.9	85.7	157.6	0	0	0	0	0	122.2
526	M	31.4	Very low	31.7	Very low	193 Å²	193	140.5 Å²	140.5	95%	0.951	75%	0.752	S	S	*	*			trans	17.6	149.6	130.7	-67.7	174.4	158.7	0	0	122.4
527	K	28.5	Very low	31.7	Very low	177 Å²	177	140.3 Å²	140.3	77%	0.77	76%	0.755	S	S	*	*			cis	-159.7	-138.9	-14.3	-156.1	-165.4	177.5	-135	0	110	D529	K527-D529 WeakPolarHBondContact CD-OD2 3.34Å; K527-D529 IonicContact NZ-OD1 2.71Å; K527-D529 PolarHBondContact NZ-OD1 2.94Å; K527-D529 IonicContact NZ-OD2 3.66Å
528	A	30.4	Very low	31.7	Very low	87 Å²	87	137.1 Å²	137.1	72%	0.719	75%	0.747	S	S	*	*			trans	-118.8	-117.6	-171.5	0	0	0	0	0	115.7
529	D	31.4	Very low	31.6	Very low	74 Å²	74	136.1 Å²	136.1	40%	0.396	75%	0.745	S	S	.	*			cis	-156.4	154.2	5.4	-66.3	-108	0	0	0	109.5	K89 K527	K89-D529 PolarHBondContact NZ-O 2.82Å; K527-D529 WeakPolarHBondContact CD-OD2 3.34Å; K527-D529 IonicContact NZ-OD1 2.71Å; K527-D529 PolarHBondContact NZ-OD1 2.94Å; K527-D529 IonicContact NZ-OD2 3.66Å
530	K	32.2	Very low	31.5	Very low	155 Å²	155	134.4 Å²	134.4	67%	0.674	75%	0.745	S	S	*	*			trans	60.5	154	151.5	-73.4	-178.4	160.7	-143.1	0	122.1	K89	K89-K530 PolarHBondContact NZ-O 3.19Å
531	E	29.6	Very low	31.6	Very low	151 Å²	151	141.5 Å²	141.5	71%	0.706	76%	0.76	S	S	*	*			cis	-165.7	175.3	6.8	-133.8	156.1	-158.5	0	0	113.7
532	S	30.1	Very low	31.3	Very low	111 Å²	111	143.1 Å²	143.1	78%	0.776	76%	0.759	S	S	*	*			trans	70	142.3	155.3	-137.2	0	0	0	0	118.4
533	S	32.3	Very low	31.5	Very low	71 Å²	71	139.1 Å²	139.1	50%	0.497	76%	0.756	S	S	.	*			cis	-169.8	169.1	-17.7	42.9	0	0	0	0	105.3
534	E	31.7	Very low	31.6	Very low	153 Å²	153	142 Å²	142	72%	0.715	76%	0.758	S	S	*	*			cis	-99.4	-155.2	-4.4	-63.3	69.5	-120.4	0	0	108.1
535	E	30.5	Very low	32	Very low	177 Å²	177	142.3 Å²	142.3	83%	0.827	76%	0.759	S	S	*	*			cis	-148.6	132.1	10.3	177.7	-178.5	-116.4	0	0	109.7
536	E	35.3	Very low	32.9	Very low	145 Å²	145	143.3 Å²	143.3	68%	0.678	75%	0.751	S	S	*	*			trans	-124.5	130	-164.6	-52.9	77.7	-170.1	0	0	110.9
537	V	35.9	Very low	33.8	Very low	133 Å²	133	140.1 Å²	140.1	81%	0.806	74%	0.738	S	S	*	*			cis	84.5	113.3	22.8	-169.6	0	0	0	0	114.7
538	L	30.6	Very low	34.7	Very low	147 Å²	147	139.2 Å²	139.2	77%	0.77	74%	0.736	S	S	*	*			trans	-148.2	135.8	-179.8	-68.9	150.6	0	0	0	108.7
539	E	30.6	Very low	35.5	Very low	169 Å²	169	143 Å²	143	79%	0.79	74%	0.739	S	S	*	*			cis	-149.2	127.8	-4.6	-98.5	164.3	173.3	0	0	108.4
540	D	28.7	Very low	37	Very low	165 Å²	165	142.2 Å²	142.2	88%	0.882	74%	0.743	S	S	*	*			trans	-101.8	145.3	152.8	-83.6	-43.8	0	0	0	106.6
541	F	32.6	Very low	38.7	Very low	210 Å²	210	137.9 Å²	137.9	92%	0.921	73%	0.727	S	S	*	*			trans	-118.2	125.6	173.2	-153.9	-89.5	0	0	0	109.8
542	D	31.3	Very low	40.3	Very low	151 Å²	151	135.8 Å²	135.8	81%	0.807	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-67.3	149.5	-171.5	-72.2	-56.9	0	0	0	113.2
543	G	33.8	Very low	42.1	Very low	76 Å²	76	134.6 Å²	134.6	78%	0.784	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-85.1	122.9	167.8	0	0	0	0	0	110.9	E545	G543-E545 PolarHBondContact O-N 3.09Å
544	E	35.3	Very low	43.7	Very low	174 Å²	174	136.8 Å²	136.8	81%	0.813	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-67.4	126	165.2	-66	-177.4	148.4	0	0	109.7	V546	E544-V546 PolarHBondContact O-N 2.83Å
545	E	40.7	Very low	45.3	Very low	198 Å²	198	136.6 Å²	136.6	93%	0.925	70%	0.696	S	S	*	*			trans	-67.1	99	161.4	-77.8	-175.8	138.6	0	0	108.1	G543	G543-E545 PolarHBondContact O-N 3.09Å
546	V	49	Very low	46.8	Very low	93 Å²	93	135.6 Å²	135.6	56%	0.564	69%	0.685	S	S	*	*			trans	-82.1	118.7	170.8	-179.3	0	0	0	0	108.4	E544 E548 I551	E544-V546 PolarHBondContact O-N 2.83Å; V546-E548 PolarHBondContact O-N 2.89Å; V546-I551 HydrophobicContact CG1-CD1 4.03Å; V546-I551 HydrophobicContact CG1-CG1 4.46Å
547	D	50	Low	48.4	Very low	126 Å²	126	134.3 Å²	134.3	67%	0.674	68%	0.679	S	S	*	*			trans	-50.4	111.2	-179.7	-75	-49.3	0	0	0	112.2	E549 A550	D547-E549 PolarHBondContact O-N 3.03Å; D547-E549 VanDerWaalsContact O-N 3.08Å; D547-A550 HydrophobicContact CB-CB 4.41Å; D547-A550 PolarHBondContact O-N 3.46Å; D547-A550 VanDerWaalsContact O-N 3.09Å
548	E	46.5	Very low	49.9	Very low	158 Å²	158	131.9 Å²	131.9	74%	0.738	66%	0.659	S	S	*	*	H	α-helix	trans	-57.5	-27.8	179.2	-64	-166.5	144.4	0	0	112.1	V546 I551 I552	V546-E548 PolarHBondContact O-N 2.89Å; E548-I551 PolarHBondContact O-N 3.48Å; E548-I552 WeakPolarHBondContact O-CD1 3.2Å; E548-I552 VanDerWaalsContact O-CG1 3.28Å; E548-I552 WeakPolarHBondContact O-CG1 3.42Å; E548-I552 PolarHBondContact O-N 2.71Å; E548-I552 VanDerWaalsContact O-N 3.09Å
549	E	46.9	Very low	51.1	Low	165 Å²	165	134 Å²	134	77%	0.771	66%	0.656	S	S	*	*	H	α-helix	trans	-67.7	-35.5	-179.6	-153.8	161.8	-137.3	0	0	112.4	D547 I552 E553	D547-E549 PolarHBondContact O-N 3.03Å; D547-E549 VanDerWaalsContact O-N 3.08Å; E549-I552 PolarHBondContact O-N 3.43Å; E549-E553 PolarHBondContact O-N 2.83Å
550	A	62.8	Low	52.6	Low	59 Å²	59	131.1 Å²	131.1	49%	0.488	65%	0.646	S	S	.	*	H	α-helix	trans	-67.5	-39.1	175.1	0	0	0	0	0	111.9	D547 I552 E553 Q554	D547-A550 HydrophobicContact CB-CB 4.41Å; D547-A550 PolarHBondContact O-N 3.46Å; D547-A550 VanDerWaalsContact O-N 3.09Å; A550-I552 VanDerWaalsContact C-N 3.32Å; A550-I552 PolarHBondContact O-N 3.48Å; A550-E553 PolarHBondContact O-N 3.19Å; A550-Q554 VanDerWaalsContact O-CB 3.3Å; A550-Q554 WeakPolarHBondContact O-CB 3.44Å; A550-Q554 PolarHBondContact O-N 3.08Å
551	I	68.1	Low	54.5	Low	64 Å²	64	125.9 Å²	125.9	33%	0.328	63%	0.625	S	S	.	*	H	α-helix	trans	-67.2	-35.2	176.8	-62.1	173.4	0	0	0	110.8	V546 E548 R555	V546-I551 HydrophobicContact CG1-CD1 4.03Å; V546-I551 HydrophobicContact CG1-CG1 4.46Å; E548-I551 PolarHBondContact O-N 3.48Å; I551-R555 WeakPolarHBondContact O-CB 3.47Å; I551-R555 WeakPolarHBondContact O-CG 3.4Å; I551-R555 PolarHBondContact O-N 3.19Å; I551-R555 VanDerWaalsContact O-N 3.08Å
552	I	62.8	Low	56.2	Low	107 Å²	107	120.4 Å²	120.4	55%	0.549	61%	0.605	S	S	.	*	H	α-helix	trans	-69.4	-45.9	176.8	-69.6	164.2	0	0	0	110.9	E548 E549 A550 R555 R556	E548-I552 WeakPolarHBondContact O-CD1 3.2Å; E548-I552 VanDerWaalsContact O-CG1 3.28Å; E548-I552 WeakPolarHBondContact O-CG1 3.42Å; E548-I552 PolarHBondContact O-N 2.71Å; E548-I552 VanDerWaalsContact O-N 3.09Å; E549-I552 PolarHBondContact O-N 3.43Å; A550-I552 VanDerWaalsContact C-N 3.32Å; A550-I552 PolarHBondContact O-N 3.48Å; I552-R555 PolarHBondContact O-N 3.42Å; I552-R556 WeakPolarHBondContact O-CB 3.47Å; I552-R556 PolarHBondContact O-N 3Å
553	E	67.8	Low	57.7	Low	85 Å²	85	118 Å²	118	40%	0.397	60%	0.595	S	S	.	*	H	α-helix	trans	-66.6	-39.6	178.7	-161.5	59.4	-131.7	0	0	111.4	E549 A550 R555 R556 Q557	E549-E553 PolarHBondContact O-N 2.83Å; A550-E553 PolarHBondContact O-N 3.19Å; E553-R555 PolarHBondContact O-N 3.01Å; E553-R556 WeakPolarHBondContact O-CB 3.44Å; E553-R556 PolarHBondContact O-N 3.1Å; E553-R556 VanDerWaalsContact O-N 3.11Å; E553-R556 IonicContact OE2-NH1 3.98Å; E553-Q557 WeakPolarHBondContact O-CG 3.48Å; E553-Q557 PolarHBondContact O-N 3.32Å
554	Q	66.8	Low	58.8	Low	117 Å²	117	121.5 Å²	121.5	55%	0.547	59%	0.591	S	S	.	*	H	α-helix	trans	-62.1	-43.5	175.1	-165.4	177.3	34.6	0	0	112.1	A550 R556 Q557 Q558	A550-Q554 VanDerWaalsContact O-CB 3.3Å; A550-Q554 WeakPolarHBondContact O-CB 3.44Å; A550-Q554 PolarHBondContact O-N 3.08Å; Q554-R556 VanDerWaalsContact C-N 3.29Å; Q554-R556 PolarHBondContact O-N 3.39Å; Q554-Q557 PolarHBondContact O-N 3.06Å; Q554-Q558 WeakPolarHBondContact O-CG 3.31Å; Q554-Q558 PolarHBondContact O-N 3.13Å
555	R	65.7	Low	60.1	Low	150 Å²	150	121 Å²	121	57%	0.566	59%	0.587	S	S	*	*	H	α-helix	trans	-64.6	-31.1	172.9	-79.5	175.6	170.8	156.9	1.9	113	I551 I552 E553 R559	I551-R555 WeakPolarHBondContact O-CB 3.47Å; I551-R555 WeakPolarHBondContact O-CG 3.4Å; I551-R555 PolarHBondContact O-N 3.19Å; I551-R555 VanDerWaalsContact O-N 3.08Å; I552-R555 PolarHBondContact O-N 3.42Å; E553-R555 PolarHBondContact O-N 3.01Å; R555-R559 WeakPolarHBondContact O-CG 3.42Å; R555-R559 PolarHBondContact O-N 3.12Å; R555-R559 VanDerWaalsContact O-N 3.12Å
556	R	61.3	Low	60.6	Low	155 Å²	155	121 Å²	121	59%	0.585	58%	0.579	S	S	*	*	H	α-helix	trans	-69.8	-43.1	175.8	-161.4	-178.9	-170.8	-164.1	2.9	111.3	I552 E553 Q554 R559 L560	I552-R556 WeakPolarHBondContact O-CB 3.47Å; I552-R556 PolarHBondContact O-N 3Å; E553-R556 WeakPolarHBondContact O-CB 3.44Å; E553-R556 PolarHBondContact O-N 3.1Å; E553-R556 VanDerWaalsContact O-N 3.11Å; E553-R556 IonicContact OE2-NH1 3.98Å; Q554-R556 VanDerWaalsContact C-N 3.29Å; Q554-R556 PolarHBondContact O-N 3.39Å; R556-R559 PolarHBondContact O-N 3.13Å; R556-L560 WeakPolarHBondContact O-CG 3.16Å; R556-L560 PolarHBondContact O-N 3.02Å; R556-L560 VanDerWaalsContact O-N 3.08Å
557	Q	69.2	Low	60.3	Low	118 Å²	118	127.2 Å²	127.2	55%	0.551	59%	0.593	S	S	*	*	H	α-helix	trans	-65.6	-42.2	174.7	-68.8	176	13.9	0	0	112	E553 Q554 R559 L560 A561	E553-Q557 WeakPolarHBondContact O-CG 3.48Å; E553-Q557 PolarHBondContact O-N 3.32Å; Q554-Q557 PolarHBondContact O-N 3.06Å; Q557-R559 VanDerWaalsContact C-N 3.33Å; Q557-R559 PolarHBondContact O-N 3.24Å; Q557-L560 PolarHBondContact O-N 2.98Å; Q557-A561 WeakPolarHBondContact O-CB 3Å; Q557-A561 PolarHBondContact O-N 3.41Å
558	Q	67.6	Low	60	Low	83 Å²	83	124.2 Å²	124.2	39%	0.388	59%	0.592	S	S	.	*	H	α-helix	trans	-59.5	-41.4	173.9	-74.9	169.6	-21.2	0	0	112.2	Q554 A561 I562	Q554-Q558 WeakPolarHBondContact O-CG 3.31Å; Q554-Q558 PolarHBondContact O-N 3.13Å; Q558-A561 PolarHBondContact O-N 3.33Å; Q558-I562 VanDerWaalsContact O-CG1 3.28Å; Q558-I562 WeakPolarHBondContact O-CG1 3.36Å; Q558-I562 PolarHBondContact O-N 3.45Å
559	R	55.5	Low	59.4	Low	190 Å²	190	120.4 Å²	120.4	72%	0.717	60%	0.595	S	S	*	*	H	α-helix	trans	-63.5	-42	174.6	-74.7	174.2	179.2	-158	-1.4	112.6	R555 R556 Q557 I562 V563	R555-R559 WeakPolarHBondContact O-CG 3.42Å; R555-R559 PolarHBondContact O-N 3.12Å; R555-R559 VanDerWaalsContact O-N 3.12Å; R556-R559 PolarHBondContact O-N 3.13Å; Q557-R559 VanDerWaalsContact C-N 3.33Å; Q557-R559 PolarHBondContact O-N 3.24Å; R559-I562 PolarHBondContact O-N 2.79Å; R559-V563 WeakPolarHBondContact O-CG2 3.45Å; R559-V563 PolarHBondContact O-N 3.44Å
560	L	61.7	Low	58.6	Low	110 Å²	110	120 Å²	120	58%	0.576	60%	0.598	S	S	*	*	H	α-helix	trans	-65.3	-40.2	175.2	-71.8	168.8	0	0	0	112	R556 Q557 V563 Q564	R556-L560 WeakPolarHBondContact O-CG 3.16Å; R556-L560 PolarHBondContact O-N 3.02Å; R556-L560 VanDerWaalsContact O-N 3.08Å; Q557-L560 PolarHBondContact O-N 2.98Å; L560-V563 PolarHBondContact O-N 2.92Å; L560-Q564 PolarHBondContact O-N 2.79Å
561	A	69.6	Low	56.9	Low	54 Å²	54	126.1 Å²	126.1	45%	0.446	62%	0.616	S	S	.	*	H	α-helix	trans	-65.5	-39.3	176.5	0	0	0	0	0	112.4	Q557 Q558 Q564 K565	Q557-A561 WeakPolarHBondContact O-CB 3Å; Q557-A561 PolarHBondContact O-N 3.41Å; Q558-A561 PolarHBondContact O-N 3.33Å; A561-Q564 PolarHBondContact O-N 3.35Å; A561-K565 VanDerWaalsContact O-CB 3.22Å; A561-K565 WeakPolarHBondContact O-CB 3.35Å; A561-K565 PolarHBondContact O-N 2.98Å
562	I	67.8	Low	55.1	Low	96 Å²	96	130.5 Å²	130.5	49%	0.492	64%	0.641	S	S	.	*	H	α-helix	trans	-64.4	-44.7	173.6	-69.7	164.6	0	0	0	110.5	Q558 R559 Q564 K565 Y566	Q558-I562 VanDerWaalsContact O-CG1 3.28Å; Q558-I562 WeakPolarHBondContact O-CG1 3.36Å; Q558-I562 PolarHBondContact O-N 3.45Å; R559-I562 PolarHBondContact O-N 2.79Å; I562-Q564 VanDerWaalsContact C-N 3.33Å; I562-Q564 PolarHBondContact O-N 3.21Å; I562-K565 PolarHBondContact O-N 2.91Å; I562-Y566 HydrophobicContact CG2-CD2 3.96Å; I562-Y566 HydrophobicContact CG2-CE2 4.14Å; I562-Y566 WeakPolarHBondContact O-CD2 3.39Å; I562-Y566 PolarHBondContact O-N 3.49Å; I562-Y566 VanDerWaalsContact O-N 3.09Å
563	V	62.1	Low	53.6	Low	99 Å²	99	131.7 Å²	131.7	60%	0.6	66%	0.658	S	S	*	*	H	α-helix	trans	-63.4	-37.2	176.9	171.1	0	0	0	0	111.9	R559 L560 R567	R559-V563 WeakPolarHBondContact O-CG2 3.45Å; R559-V563 PolarHBondContact O-N 3.44Å; L560-V563 PolarHBondContact O-N 2.92Å; V563-R567 WeakPolarHBondContact O-CB 3.33Å; V563-R567 PolarHBondContact O-N 2.81Å
564	Q	57.1	Low	51.6	Low	151 Å²	151	137.1 Å²	137.1	71%	0.706	69%	0.686	S	S	*	*	H	α-helix	trans	-68.3	-42.4	171.3	-81.5	-175.6	-31	0	0	112.7	L560 A561 I562 Y566 R567	L560-Q564 PolarHBondContact O-N 2.79Å; A561-Q564 PolarHBondContact O-N 3.35Å; I562-Q564 VanDerWaalsContact C-N 3.33Å; I562-Q564 PolarHBondContact O-N 3.21Å; Q564-Y566 VanDerWaalsContact C-N 3.25Å; Q564-Y566 PolarHBondContact O-N 3.36Å; Q564-R567 PolarHBondContact O-N 2.77Å
565	K	62.7	Low	49.7	Very low	164 Å²	164	136.4 Å²	136.4	71%	0.713	70%	0.7	S	S	*	*	H	α-helix	trans	-63.2	-28.4	-178.2	-171.1	174.8	-178.4	-179.2	0	113.2	A561 I562	A561-K565 VanDerWaalsContact O-CB 3.22Å; A561-K565 WeakPolarHBondContact O-CB 3.35Å; A561-K565 PolarHBondContact O-N 2.98Å; I562-K565 PolarHBondContact O-N 2.91Å
566	Y	51.6	Low	47.9	Very low	197 Å²	197	134.3 Å²	134.3	77%	0.773	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	9.2	173.8	-70.8	-75.1	0	0	0	114.1	I562 Q564	I562-Y566 HydrophobicContact CG2-CD2 3.96Å; I562-Y566 HydrophobicContact CG2-CE2 4.14Å; I562-Y566 WeakPolarHBondContact O-CD2 3.39Å; I562-Y566 PolarHBondContact O-N 3.49Å; I562-Y566 VanDerWaalsContact O-N 3.09Å; Q564-Y566 VanDerWaalsContact C-N 3.25Å; Q564-Y566 PolarHBondContact O-N 3.36Å
567	R	41.8	Very low	46.4	Very low	223 Å²	223	135.7 Å²	135.7	84%	0.842	72%	0.724	S	S	*	*	S	Bend	trans	-96.5	-8.5	174.9	-159.8	175.9	-173.8	-158.6	1.4	113.9	V563 Q564	V563-R567 WeakPolarHBondContact O-CB 3.33Å; V563-R567 PolarHBondContact O-N 2.81Å; Q564-R567 PolarHBondContact O-N 2.77Å
568	G	43.8	Very low	44.3	Very low	64 Å²	64	134 Å²	134	66%	0.66	73%	0.73	S	S	*	*	S	Bend	trans	-136.8	98.9	178.5	0	0	0	0	0	111.1
569	G	33.7	Very low	42.5	Very low	77 Å²	77	135 Å²	135	79%	0.794	75%	0.746	S	S	*	*			trans	172.7	40	-177	0	0	0	0	0	115.4
570	N	31	Very low	41.2	Very low	157 Å²	157	134.3 Å²	134.3	84%	0.84	75%	0.751	S	S	*	*	S	Bend	trans	-154.6	34.3	166.5	-146.8	65.1	0	0	0	115.2
571	E	28.1	Very low	40.4	Very low	187 Å²	187	134 Å²	134	87%	0.874	76%	0.756	S	S	*	*	S	Bend	trans	-133.3	152	161.6	-67	-169.4	144.5	0	0	109
572	D	28.8	Very low	38.2	Very low	157 Å²	157	137 Å²	137	84%	0.84	77%	0.773	S	S	*	*			trans	69.8	70.6	176.8	-60.4	-18.5	0	0	0	119.6
573	S	31.4	Very low	36.2	Very low	132 Å²	132	137.8 Å²	137.8	92%	0.923	79%	0.787	S	S	*	*				-159.1	70.6	129.7	-83.1	0	0	0	0	112.8
574	M	26.7	Very low	35.5	Very low	198 Å²	198	137.7 Å²	137.7	98%	0.975	79%	0.789	S	S	*	*			trans	-140.3	76.5	152.1	-158.3	173.7	-158.7	0	0	111
575	A	25.9	Very low	34.1	Very low	102 Å²	102	139.1 Å²	139.1	84%	0.843	80%	0.796	S	S	*	*			trans	-122	93.3	173.2	0	0	0	0	0	110.3
576	S	29	Very low	32.5	Very low	106 Å²	106	136.1 Å²	136.1	74%	0.741	80%	0.795	S	S	*	*			trans	-166.8	126.9	154.6	60.4	0	0	0	0	112.7
577	M	29.6	Very low	31.5	Very low	185 Å²	185	131.4 Å²	131.4	91%	0.911	79%	0.791	S	S	*	*			trans	73	138.7	169.1	-40.7	-163.7	87.7	0	0	117.8
578	A	25.3	Very low	31	Very low	81 Å²	81	127.7 Å²	127.7	67%	0.669	79%	0.793	S	S	*	*			cis	-166.4	153.8	-25.8	0	0	0	0	0	109.4
579	S	28.9	Very low	30.5	Very low	104 Å²	104	136.2 Å²	136.2	73%	0.727	81%	0.806	S	S	*	*			trans	-3.8	147.6	151.3	55.9	0	0	0	0	119.5
580	E	28.2	Very low	30.4	Very low	176 Å²	176	137.8 Å²	137.8	82%	0.822	80%	0.804	S	S	*	*			cis	-178.1	-177	9.5	-118.1	-175.8	-152.7	0	0	108.8
581	P	45.7	Very low	30.8	Very low	104 Å²	104	141.9 Å²	141.9	68%	0.675	81%	0.808	S	S	*	*			cis	-134.6	-174.1	-16.1	34.4	-13.7	0	0	0	115.5
582	S	22.8	Very low	31.4	Very low	116 Å²	116	138.3 Å²	138.3	81%	0.811	80%	0.803	S	S	*	*			trans	107.1	100.2	150.3	94.5	0	0	0	0	120.5
583	S	26.5	Very low	32.3	Very low	114 Å²	114	134.1 Å²	134.1	80%	0.797	79%	0.785	S	S	*	*			trans	-34.6	168.5	150.8	-58.8	0	0	0	0	116.6
584	P	45.8	Very low	33.4	Very low	97 Å²	97	130.4 Å²	130.4	63%	0.63	76%	0.759	S	S	*	*			cis	-148.5	175.9	27.6	44.2	-24.5	0	0	0	120.1
585	Q	28.4	Very low	34.7	Very low	181 Å²	181	125.4 Å²	125.4	85%	0.846	74%	0.741	S	S	*	*			trans	68.2	146.8	150.1	-77.5	159	-6.1	0	0	118.6
586	S	29	Very low	36.1	Very low	101 Å²	101	125.8 Å²	125.8	71%	0.706	73%	0.729	S	S	*	*			cis	-158.4	155.1	-4.7	51.6	0	0	0	0	112.2
587	S	30.6	Very low	37.6	Very low	97 Å²	97	124.1 Å²	124.1	68%	0.678	71%	0.712	S	S	*	*			trans	-10.7	140.1	157.9	55.9	0	0	0	0	118.4
588	T	31.8	Very low	39.1	Very low	146 Å²	146	119.7 Å²	119.7	90%	0.896	69%	0.691	S	S	*	*				-164.7	166.5	83.2	25.9	0	0	0	0	114.3
589	R	32.9	Very low	40.6	Very low	243 Å²	243	121.9 Å²	121.9	92%	0.917	69%	0.691	S	S	*	*			trans	-110	125	-168.8	159.2	-166.6	173.2	-161.4	1.1	110.7
590	S	33.1	Very low	42.2	Very low	110 Å²	110	123.9 Å²	123.9	77%	0.769	69%	0.689	S	S	*	*			trans	-167.6	124.2	151.5	47.2	0	0	0	0	114.9
591	R	39	Very low	43.8	Very low	243 Å²	243	122.6 Å²	122.6	92%	0.917	68%	0.676	S	S	*	*			trans	51.1	119.9	151.9	-71.1	-179.5	166.3	176.6	-5.6	120.2
592	S	41.1	Very low	44.9	Very low	111 Å²	111	121.5 Å²	121.5	78%	0.776	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-62.6	139.4	159.9	49.7	0	0	0	0	112.2
593	P	47	Very low	47	Very low	69 Å²	69	118.9 Å²	118.9	45%	0.448	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-66.3	159.4	169.3	-15.2	29.7	0	0	0	112.4	D597	P593-D597 HydrophobicContact CB-CB 3.5Å; P593-D597 VanDerWaalsContact CB-CB 3.5Å
594	S	54.9	Low	48.8	Very low	55 Å²	55	116 Å²	116	39%	0.385	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-77.6	166.6	170.3	66.6	0	0	0	0	110.9	D596 D597	S594-D596 WeakPolarHBondContact CB-OD2 3.4Å; S594-D596 PolarHBondContact O-N 3.18Å; S594-D596 PolarHBondContact OG-OD2 3.29Å; S594-D597 PolarHBondContact O-N 2.78Å
595	P	54.3	Low	49.7	Very low	92 Å²	92	115.9 Å²	115.9	60%	0.597	63%	0.63	S	S	*	*	H	α-helix	trans	-57.7	-24.1	-177.7	-25.7	36.2	0	0	0	114.2	I598 L599	P595-I598 WeakPolarHBondContact O-CB 3.11Å; P595-I598 PolarHBondContact O-N 3.05Å; P595-L599 WeakPolarHBondContact O-CD1 3.33Å; P595-L599 PolarHBondContact O-N 3.48Å
596	D	55	Low	51.7	Low	111 Å²	111	110.8 Å²	110.8	59%	0.594	61%	0.611	S	S	*	*	H	α-helix	trans	-62.9	-49.8	178.3	-35.3	-96.9	0	0	0	111	S594 I598 L599 E600	S594-D596 WeakPolarHBondContact CB-OD2 3.4Å; S594-D596 PolarHBondContact O-N 3.18Å; S594-D596 PolarHBondContact OG-OD2 3.29Å; D596-I598 PolarHBondContact O-N 3.43Å; D596-L599 PolarHBondContact O-N 2.8Å; D596-L599 VanDerWaalsContact O-N 3.11Å; D596-E600 PolarHBondContact O-N 3.49Å
597	D	59.3	Low	53.3	Low	71 Å²	71	112.9 Å²	112.9	38%	0.38	61%	0.607	S	S	.	*	H	α-helix	trans	-65.6	-16.4	175.2	-74.8	-28.8	0	0	0	113.4	P593 S594 R601	P593-D597 HydrophobicContact CB-CB 3.5Å; P593-D597 VanDerWaalsContact CB-CB 3.5Å; S594-D597 PolarHBondContact O-N 2.78Å; D597-R601 WeakPolarHBondContact O-CG 3.47Å; D597-R601 PolarHBondContact O-NH1 3.37Å
598	I	60.8	Low	54.7	Low	91 Å²	91	114.3 Å²	114.3	47%	0.467	60%	0.603	S	S	.	*	H	α-helix	trans	-89.5	-39.1	174.1	-58.6	174.6	0	0	0	109.7	P595 D596 R601 V602	P595-I598 WeakPolarHBondContact O-CB 3.11Å; P595-I598 PolarHBondContact O-N 3.05Å; D596-I598 PolarHBondContact O-N 3.43Å; I598-R601 PolarHBondContact O-N 2.81Å; I598-V602 HydrophobicContact CG2-CG2 4.33Å; I598-V602 WeakPolarHBondContact O-CB 3.36Å; I598-V602 VanDerWaalsContact O-CG2 3.26Å; I598-V602 WeakPolarHBondContact O-CG2 3.46Å; I598-V602 PolarHBondContact O-N 2.93Å
599	L	57.8	Low	56.1	Low	127 Å²	127	114.8 Å²	114.8	67%	0.665	59%	0.59	S	S	*	*	H	α-helix	trans	-64.4	-39.3	172.2	-99.8	91.4	0	0	0	112.2	P595 D596 A603	P595-L599 WeakPolarHBondContact O-CD1 3.33Å; P595-L599 PolarHBondContact O-N 3.48Å; D596-L599 PolarHBondContact O-N 2.8Å; D596-L599 VanDerWaalsContact O-N 3.11Å; L599-A603 WeakPolarHBondContact O-CB 2.94Å; L599-A603 PolarHBondContact O-N 3.3Å
600	E	63.2	Low	57.3	Low	147 Å²	147	109 Å²	109	69%	0.687	57%	0.573	S	S	*	*	H	α-helix	trans	-69.7	-35.5	178.2	-169.1	164.7	-153.4	0	0	112	D596 A604	D596-E600 PolarHBondContact O-N 3.49Å; E600-A604 WeakPolarHBondContact O-CB 3.09Å; E600-A604 PolarHBondContact O-N 2.68Å
601	R	61.8	Low	58.2	Low	149 Å²	149	109.3 Å²	109.3	56%	0.562	57%	0.566	S	S	*	*	H	α-helix	trans	-67.7	-48.7	170.8	-78.5	-178.3	177.6	79.9	0.7	112.6	D597 I598 A603 A604 D605	D597-R601 WeakPolarHBondContact O-CG 3.47Å; D597-R601 PolarHBondContact O-NH1 3.37Å; I598-R601 PolarHBondContact O-N 2.81Å; R601-A603 PolarHBondContact O-N 2.97Å; R601-A604 CarbonylContact O-C 3.58Å; R601-A604 WeakPolarHBondContact O-CA 3.46Å; R601-A604 WeakPolarHBondContact O-CB 3.32Å; R601-A604 PolarHBondContact O-N 3.3Å; R601-D605 PolarHBondContact O-N 3.04Å
602	V	67.9	Low	58.9	Low	81 Å²	81	104 Å²	104	49%	0.491	55%	0.551	S	S	.	*	H	α-helix	trans	-62.7	-32.4	176.9	171.4	0	0	0	0	111.3	I598 V606	I598-V602 HydrophobicContact CG2-CG2 4.33Å; I598-V602 WeakPolarHBondContact O-CB 3.36Å; I598-V602 VanDerWaalsContact O-CG2 3.26Å; I598-V602 WeakPolarHBondContact O-CG2 3.46Å; I598-V602 PolarHBondContact O-N 2.93Å; V602-V606 HydrophobicContact CG1-CG2 4.49Å; V602-V606 WeakPolarHBondContact O-CB 3.44Å; V602-V606 WeakPolarHBondContact O-CG2 3.37Å; V602-V606 PolarHBondContact O-N 3.37Å
603	A	66.7	Low	59.5	Low	60 Å²	60	102.4 Å²	102.4	50%	0.496	53%	0.534	S	S	.	.	H	α-helix	trans	-72	-28.9	172.3	0	0	0	0	0	113.4	L599 R601 K607	L599-A603 WeakPolarHBondContact O-CB 2.94Å; L599-A603 PolarHBondContact O-N 3.3Å; R601-A603 PolarHBondContact O-N 2.97Å; A603-K607 WeakPolarHBondContact O-CB 3.29Å; A603-K607 PolarHBondContact O-N 3.16Å
604	A	65.3	Low	59.7	Low	53 Å²	53	104 Å²	104	44%	0.438	54%	0.538	S	S	.	.	H	α-helix	trans	-72.7	-48.4	170.9	0	0	0	0	0	111.2	E600 R601 V606 K607 E608	E600-A604 WeakPolarHBondContact O-CB 3.09Å; E600-A604 PolarHBondContact O-N 2.68Å; R601-A604 CarbonylContact O-C 3.58Å; R601-A604 WeakPolarHBondContact O-CA 3.46Å; R601-A604 WeakPolarHBondContact O-CB 3.32Å; R601-A604 PolarHBondContact O-N 3.3Å; A604-V606 VanDerWaalsContact C-N 3.32Å; A604-V606 PolarHBondContact O-N 3.25Å; A604-K607 CarbonylContact O-C 3.55Å; A604-K607 WeakPolarHBondContact O-CA 3.48Å; A604-K607 WeakPolarHBondContact O-CB 3.42Å; A604-K607 PolarHBondContact O-N 2.98Å; A604-E608 PolarHBondContact O-N 3.2Å
605	D	64.9	Low	59.6	Low	95 Å²	95	106.1 Å²	106.1	51%	0.508	55%	0.545	S	S	.	.	H	α-helix	trans	-60.4	-39.6	178.9	-60.6	-13.1	0	0	0	111.6	R601 K607 E608 Y609	R601-D605 PolarHBondContact O-N 3.04Å; D605-K607 VanDerWaalsContact C-N 3.29Å; D605-K607 PolarHBondContact O-N 3.47Å; D605-E608 PolarHBondContact O-N 3.03Å; D605-Y609 VanDerWaalsContact O-CB 3.26Å; D605-Y609 WeakPolarHBondContact O-CB 3.45Å; D605-Y609 PolarHBondContact O-N 3.21Å
606	V	68.5	Low	59.7	Low	75 Å²	75	105.8 Å²	105.8	46%	0.455	54%	0.542	S	S	.	.	H	α-helix	trans	-64	-34.4	173	166.4	0	0	0	0	111.6	V602 A604 E610	V602-V606 HydrophobicContact CG1-CG2 4.49Å; V602-V606 WeakPolarHBondContact O-CB 3.44Å; V602-V606 WeakPolarHBondContact O-CG2 3.37Å; V602-V606 PolarHBondContact O-N 3.37Å; A604-V606 VanDerWaalsContact C-N 3.32Å; A604-V606 PolarHBondContact O-N 3.25Å; V606-E610 WeakPolarHBondContact O-CB 3.29Å; V606-E610 WeakPolarHBondContact O-CG 3.48Å; V606-E610 PolarHBondContact O-N 3.02Å
607	K	63.9	Low	59.2	Low	144 Å²	144	107 Å²	107	63%	0.626	54%	0.542	S	S	*	.	H	α-helix	trans	-78.6	-31.4	-179.5	-146.3	172.4	-169.5	175.4	0	112.7	A603 A604 D605 L611	A603-K607 WeakPolarHBondContact O-CB 3.29Å; A603-K607 PolarHBondContact O-N 3.16Å; A604-K607 CarbonylContact O-C 3.55Å; A604-K607 WeakPolarHBondContact O-CA 3.48Å; A604-K607 WeakPolarHBondContact O-CB 3.42Å; A604-K607 PolarHBondContact O-N 2.98Å; D605-K607 VanDerWaalsContact C-N 3.29Å; D605-K607 PolarHBondContact O-N 3.47Å; K607-L611 WeakPolarHBondContact O-CG 3.45Å; K607-L611 PolarHBondContact O-N 3.28Å
608	E	60	Low	58.7	Low	128 Å²	128	108.9 Å²	108.9	60%	0.598	55%	0.549	S	S	*	.	H	α-helix	trans	-70.8	-44.1	171.6	-163.5	159.1	-146.1	0	0	110.1	A604 D605 E610 L611 E612	A604-E608 PolarHBondContact O-N 3.2Å; D605-E608 PolarHBondContact O-N 3.03Å; E608-E610 VanDerWaalsContact C-N 3.34Å; E608-E610 PolarHBondContact O-N 3.22Å; E608-L611 PolarHBondContact O-N 2.81Å; E608-L611 VanDerWaalsContact O-N 3.07Å; E608-E612 PolarHBondContact O-N 3.28Å
609	Y	61.2	Low	58.5	Low	155 Å²	155	110.7 Å²	110.7	61%	0.608	56%	0.555	S	S	*	*	H	α-helix	trans	-62.2	-35.3	171.9	-172.2	-102	0	0	0	113.2	D605 L611 N613	D605-Y609 VanDerWaalsContact O-CB 3.26Å; D605-Y609 WeakPolarHBondContact O-CB 3.45Å; D605-Y609 PolarHBondContact O-N 3.21Å; Y609-L611 VanDerWaalsContact C-N 3.34Å; Y609-N613 WeakPolarHBondContact CD1-ND2 3.49Å; Y609-N613 VanDerWaalsContact CE1-ND2 3.29Å; Y609-N613 WeakPolarHBondContact CE1-ND2 3.48Å; Y609-N613 WeakPolarHBondContact O-CB 3.31Å; Y609-N613 PolarHBondContact O-N 3.16Å; Y609-N613 PolarHBondContact O-ND2 3.43Å
610	E	57.6	Low	58.3	Low	121 Å²	121	109.1 Å²	109.1	57%	0.565	55%	0.547	S	S	*	.	H	α-helix	trans	-69.5	-28.1	172.7	-80.1	-178.7	169.2	0	0	113.1	V606 E608 L614	V606-E610 WeakPolarHBondContact O-CB 3.29Å; V606-E610 WeakPolarHBondContact O-CG 3.48Å; V606-E610 PolarHBondContact O-N 3.02Å; E608-E610 VanDerWaalsContact C-N 3.34Å; E608-E610 PolarHBondContact O-N 3.22Å; E610-L614 WeakPolarHBondContact O-CD1 3.43Å; E610-L614 WeakPolarHBondContact O-CG 3.34Å; E610-L614 PolarHBondContact O-N 3.31Å
611	L	51.5	Low	58.2	Low	118 Å²	118	105.6 Å²	105.6	62%	0.618	53%	0.532	S	S	*	.	H	α-helix	trans	-77.3	-43.1	175.7	-75.4	166.5	0	0	0	112.3	K607 E608 Y609 N613 L614 D615	K607-L611 WeakPolarHBondContact O-CG 3.45Å; K607-L611 PolarHBondContact O-N 3.28Å; E608-L611 PolarHBondContact O-N 2.81Å; E608-L611 VanDerWaalsContact O-N 3.07Å; Y609-L611 VanDerWaalsContact C-N 3.34Å; L611-N613 VanDerWaalsContact C-N 3.28Å; L611-N613 PolarHBondContact O-N 3.38Å; L611-L614 PolarHBondContact O-N 3.07Å; L611-L614 VanDerWaalsContact O-N 3.08Å; L611-D615 PolarHBondContact O-N 2.86Å; L611-D615 VanDerWaalsContact O-N 3.1Å
612	E	54.3	Low	58.1	Low	131 Å²	131	104.8 Å²	104.8	61%	0.612	53%	0.533	S	S	*	.	H	α-helix	trans	-64.2	-32.4	176.3	-67.7	-170.5	149.7	0	0	112.7	E608 L614 T616	E608-E612 PolarHBondContact O-N 3.28Å; E612-L614 VanDerWaalsContact C-N 3.33Å; E612-T616 PolarHBondContact O-N 2.8Å; E612-T616 PolarHBondContact O-OG1 3.01Å
613	N	54.3	Low	57.5	Low	78 Å²	78	104.2 Å²	104.2	42%	0.417	54%	0.536	S	S	.	.	H	α-helix	trans	-78.8	-12	174.4	-76.2	-68.2	0	0	0	114.1	Y609 L611	Y609-N613 WeakPolarHBondContact CD1-ND2 3.49Å; Y609-N613 VanDerWaalsContact CE1-ND2 3.29Å; Y609-N613 WeakPolarHBondContact CE1-ND2 3.48Å; Y609-N613 WeakPolarHBondContact O-CB 3.31Å; Y609-N613 PolarHBondContact O-N 3.16Å; Y609-N613 PolarHBondContact O-ND2 3.43Å; L611-N613 VanDerWaalsContact C-N 3.28Å; L611-N613 PolarHBondContact O-N 3.38Å
614	L	50.4	Low	56.9	Low	101 Å²	101	108.3 Å²	108.3	53%	0.529	54%	0.543	S	S	.	.	H	α-helix	trans	-88.6	-41	171.2	-85.4	165.3	0	0	0	112	E610 L611 E612 F617 E618	E610-L614 WeakPolarHBondContact O-CD1 3.43Å; E610-L614 WeakPolarHBondContact O-CG 3.34Å; E610-L614 PolarHBondContact O-N 3.31Å; L611-L614 PolarHBondContact O-N 3.07Å; L611-L614 VanDerWaalsContact O-N 3.08Å; E612-L614 VanDerWaalsContact C-N 3.33Å; L614-F617 WeakPolarHBondContact O-CB 3.37Å; L614-F617 PolarHBondContact O-N 3.43Å; L614-F617 VanDerWaalsContact O-N 3.09Å; L614-E618 PolarHBondContact O-N 3.18Å
615	D	53.8	Low	55.9	Low	100 Å²	100	111.9 Å²	111.9	54%	0.535	55%	0.551	S	S	.	*	H	α-helix	trans	-67.2	-41.5	-178	-149.4	17.1	0	0	0	111.4	L611 F617 E618 E619	L611-D615 PolarHBondContact O-N 2.86Å; L611-D615 VanDerWaalsContact O-N 3.1Å; D615-F617 PolarHBondContact O-N 3.39Å; D615-E618 PolarHBondContact O-N 3.08Å; D615-E618 VanDerWaalsContact O-N 3.16Å; D615-E619 PolarHBondContact O-N 3.02Å
616	T	56.1	Low	54.8	Low	86 Å²	86	109.9 Å²	109.9	53%	0.528	55%	0.553	S	S	.	*	H	α-helix	trans	-64.4	-19.1	172.5	51.2	0	0	0	0	114	E612 N620	E612-T616 PolarHBondContact O-N 2.8Å; E612-T616 PolarHBondContact O-OG1 3.01Å; T616-N620 WeakPolarHBondContact O-CB 3.32Å
617	F	43.7	Very low	53.6	Low	136 Å²	136	113.9 Å²	113.9	60%	0.596	57%	0.571	S	S	*	*	H	α-helix	trans	-85.8	-39.1	172.2	-167.8	-104.2	0	0	0	111.9	L614 D615 N620 I621	L614-F617 WeakPolarHBondContact O-CB 3.37Å; L614-F617 PolarHBondContact O-N 3.43Å; L614-F617 VanDerWaalsContact O-N 3.09Å; D615-F617 PolarHBondContact O-N 3.39Å; F617-N620 PolarHBondContact O-N 3.41Å; F617-I621 HydrophobicContact CD1-CD1 3.8Å; F617-I621 HydrophobicContact CE1-CD1 3.49Å; F617-I621 VanDerWaalsContact CE1-CD1 3.49Å; F617-I621 HydrophobicContact CZ-CD1 4.1Å; F617-I621 WeakPolarHBondContact O-CG1 3.34Å; F617-I621 PolarHBondContact O-N 3.41Å; F617-I621 VanDerWaalsContact O-N 3.09Å
618	E	50.2	Low	52.6	Low	111 Å²	111	113.8 Å²	113.8	52%	0.519	58%	0.576	S	S	.	*	H	α-helix	trans	-69.4	-37.7	175.4	-71.5	-150.5	163.9	0	0	113.2	L614 D615 I621 K622	L614-E618 PolarHBondContact O-N 3.18Å; D615-E618 PolarHBondContact O-N 3.08Å; D615-E618 VanDerWaalsContact O-N 3.16Å; E618-I621 PolarHBondContact O-N 3.38Å; E618-K622 PolarHBondContact O-N 2.91Å
619	E	55.3	Low	51.5	Low	129 Å²	129	113.2 Å²	113.2	60%	0.603	58%	0.581	S	S	*	*	H	α-helix	trans	-62.9	-40.8	173.2	-71.6	-156	134.1	0	0	112.1	D615 I621 K622 A623	D615-E619 PolarHBondContact O-N 3.02Å; E619-I621 VanDerWaalsContact C-N 3.3Å; E619-I621 PolarHBondContact O-N 3.36Å; E619-K622 PolarHBondContact O-N 3.06Å; E619-A623 WeakPolarHBondContact O-CB 3.31Å; E619-A623 PolarHBondContact O-N 3Å
620	N	54.3	Low	50.1	Low	94 Å²	94	114.6 Å²	114.6	50%	0.503	59%	0.593	S	S	.	*	H	α-helix	trans	-69.5	-28.3	178.3	-155.5	-30.9	0	0	0	112	T616 F617 K624	T616-N620 WeakPolarHBondContact O-CB 3.32Å; F617-N620 PolarHBondContact O-N 3.41Å; N620-K624 WeakPolarHBondContact O-CG 3.41Å; N620-K624 PolarHBondContact O-N 2.75Å
621	I	61.6	Low	48.9	Very low	72 Å²	72	118 Å²	118	37%	0.369	61%	0.609	S	S	.	*	H	α-helix	trans	-74.7	-41.7	170.1	-71.7	175	0	0	0	111.6	F617 E618 E619 A623 K624 Q625	F617-I621 HydrophobicContact CD1-CD1 3.8Å; F617-I621 HydrophobicContact CE1-CD1 3.49Å; F617-I621 VanDerWaalsContact CE1-CD1 3.49Å; F617-I621 HydrophobicContact CZ-CD1 4.1Å; F617-I621 WeakPolarHBondContact O-CG1 3.34Å; F617-I621 PolarHBondContact O-N 3.41Å; F617-I621 VanDerWaalsContact O-N 3.09Å; E618-I621 PolarHBondContact O-N 3.38Å; E619-I621 VanDerWaalsContact C-N 3.3Å; E619-I621 PolarHBondContact O-N 3.36Å; I621-A623 PolarHBondContact O-N 3.45Å; I621-K624 PolarHBondContact O-N 2.94Å; I621-Q625 WeakPolarHBondContact O-CG 3.44Å; I621-Q625 PolarHBondContact O-N 3.07Å
622	K	58.8	Low	48	Very low	132 Å²	132	121.6 Å²	121.6	57%	0.574	62%	0.62	S	S	*	*	H	α-helix	trans	-60.8	-42.4	173.6	-82.8	169.9	-178.8	151.1	0	111.8	E618 E619 K624 Q625 G626	E618-K622 PolarHBondContact O-N 2.91Å; E619-K622 PolarHBondContact O-N 3.06Å; K622-K624 VanDerWaalsContact C-N 3.31Å; K622-K624 PolarHBondContact O-N 3.03Å; K622-Q625 PolarHBondContact O-N 2.8Å; K622-Q625 VanDerWaalsContact O-N 3.13Å; K622-G626 PolarHBondContact O-N 3.37Å
623	A	55.8	Low	46.8	Very low	69 Å²	69	123.9 Å²	123.9	57%	0.57	64%	0.636	S	S	*	*	H	α-helix	trans	-60.6	-38	175	0	0	0	0	0	112.5	E619 I621	E619-A623 WeakPolarHBondContact O-CB 3.31Å; E619-A623 PolarHBondContact O-N 3Å; I621-A623 PolarHBondContact O-N 3.45Å
624	K	54.2	Low	45.5	Very low	146 Å²	146	122.7 Å²	122.7	64%	0.635	64%	0.642	S	S	*	*	H	α-helix	trans	-71.7	-29.3	173.7	-77.8	176.6	179.4	170	0	113.9	N620 I621 K622 I628	N620-K624 WeakPolarHBondContact O-CG 3.41Å; N620-K624 PolarHBondContact O-N 2.75Å; I621-K624 PolarHBondContact O-N 2.94Å; K622-K624 VanDerWaalsContact C-N 3.31Å; K622-K624 PolarHBondContact O-N 3.03Å; K624-I628 WeakPolarHBondContact O-CD1 3.32Å
625	Q	42.8	Very low	44.7	Very low	128 Å²	128	124 Å²	124	60%	0.598	66%	0.657	S	S	*	*	H	α-helix	trans	-76.2	-32	175.1	-71.9	-177.3	4.6	0	0	112.7	I621 K622 L627 I628	I621-Q625 WeakPolarHBondContact O-CG 3.44Å; I621-Q625 PolarHBondContact O-N 3.07Å; K622-Q625 PolarHBondContact O-N 2.8Å; K622-Q625 VanDerWaalsContact O-N 3.13Å; Q625-L627 VanDerWaalsContact C-N 3.3Å; Q625-L627 PolarHBondContact O-N 3.35Å; Q625-I628 PolarHBondContact O-N 2.75Å
626	G	43.1	Very low	43.6	Very low	54 Å²	54	128.5 Å²	128.5	56%	0.557	67%	0.672	S	S	*	*	H	α-helix	trans	-63.9	-26.4	179.5	0	0	0	0	0	115.3	K622	K622-G626 PolarHBondContact O-N 3.37Å
627	L	43.3	Very low	42.4	Very low	159 Å²	159	134.1 Å²	134.1	83%	0.832	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-2.4	179	-128.9	77.6	0	0	0	114.3	Q625	Q625-L627 VanDerWaalsContact C-N 3.3Å; Q625-L627 PolarHBondContact O-N 3.35Å
628	I	42.1	Very low	41.9	Very low	141 Å²	141	133.2 Å²	133.2	72%	0.723	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	-12.6	-176.2	-69.8	175.3	0	0	0	112.3	K624 Q625	K624-I628 WeakPolarHBondContact O-CD1 3.32Å; Q625-I628 PolarHBondContact O-N 2.75Å
629	T	36.9	Very low	40.9	Very low	117 Å²	117	133.3 Å²	133.3	72%	0.718	71%	0.71	S	S	*	*	S	Bend	trans	-95.3	9.6	-175.9	28.9	0	0	0	0	115.9
630	Q	32.8	Very low	39.9	Very low	184 Å²	184	131.8 Å²	131.8	86%	0.86	72%	0.719	S	S	*	*	S	Bend	trans	-131.2	72.5	165	-71.6	-166.1	5.5	0	0	112.5
631	E	32.7	Very low	39.1	Very low	191 Å²	191	132.6 Å²	132.6	89%	0.893	73%	0.729	S	S	*	*				-177.6	101.8	121.3	-101.9	-172.9	-174	0	0	111.5
632	K	31.4	Very low	38	Very low	195 Å²	195	134.8 Å²	134.8	85%	0.848	74%	0.742	S	S	*	*			trans	-154.1	82.7	159	-127.6	-178.2	-173	178.3	0	111.1
633	D	28.5	Very low	37.1	Very low	179 Å²	179	136.5 Å²	136.5	96%	0.957	75%	0.754	S	S	*	*	S	Bend	trans	-166.4	87	137	-99.3	-21.9	0	0	0	109.1
634	G	28.2	Very low	36.1	Very low	53 Å²	53	140.6 Å²	140.6	55%	0.546	76%	0.759	S	S	.	*			cis	-155.5	-72.6	0.6	0	0	0	0	0	112.5
635	P	34	Very low	35.5	Very low	129 Å²	129	138.2 Å²	138.2	84%	0.838	76%	0.757	S	S	*	*			cis	-78	-94	-29.9	31.9	-27.3	0	0	0	108.7
636	K	30.7	Very low	35.3	Very low	194 Å²	194	139 Å²	139	84%	0.843	76%	0.761	S	S	*	*			trans	-140.2	125.1	162.7	-71.9	-174.9	179.1	177	0	109.8
637	K	30.4	Very low	35.2	Very low	204 Å²	204	141.1 Å²	141.1	89%	0.887	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-71	137.3	168.9	-67.1	-177.2	177	-176.6	0	109.5
638	P	32	Very low	35.3	Very low	117 Å²	117	139.4 Å²	139.4	76%	0.76	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-63	155.7	158.4	29.1	-32.7	0	0	0	109.7
639	S	30.6	Very low	35.3	Very low	113 Å²	113	138 Å²	138	79%	0.79	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-59.6	150	174.3	50.9	0	0	0	0	111.3
640	A	34.7	Very low	35.8	Very low	96 Å²	96	139.3 Å²	139.3	79%	0.793	76%	0.756	S	S	*	*			trans	-44.8	123.3	-173.3	0	0	0	0	0	113.5
641	P	35.9	Very low	36.2	Very low	111 Å²	111	137.5 Å²	137.5	72%	0.721	75%	0.745	S	S	*	*			trans	-71.8	154	165.5	30.8	-32.3	0	0	0	110.8
642	D	39.6	Very low	36.6	Very low	118 Å²	118	135.3 Å²	135.3	63%	0.631	74%	0.735	S	S	*	*			trans	-63.1	140.5	-171.5	-167.9	5	0	0	0	113.6	F644	D642-F644 PolarHBondContact O-N 3.42Å
643	M	40.4	Very low	37.2	Very low	168 Å²	168	129.2 Å²	129.2	83%	0.828	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	29.7	-175.8	-75.2	-165.2	-62.8	0	0	114.1
644	F	34.4	Very low	38.3	Very low	156 Å²	156	123.5 Å²	123.5	68%	0.684	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127	11.4	176.5	-91	-79.9	0	0	0	114.1	D642	D642-F644 PolarHBondContact O-N 3.42Å
645	T	41.4	Very low	39.3	Very low	96 Å²	96	125.4 Å²	125.4	59%	0.589	70%	0.696	S	S	*	*			trans	-131.9	69.3	177.1	59	0	0	0	0	113.2
646	E	37.5	Very low	39.5	Very low	145 Å²	145	123.8 Å²	123.8	68%	0.678	68%	0.68	S	S	*	*			trans	-111.8	5.9	-179.3	-68.7	-156.5	147.3	0	0	116	D648	E646-D648 PolarHBondContact O-N 2.81Å
647	S	42.3	Very low	40.4	Very low	97 Å²	97	117.2 Å²	117.2	68%	0.678	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-26.5	-178.8	56.3	0	0	0	0	114.9
648	D	43.9	Very low	41.4	Very low	123 Å²	123	110.1 Å²	110.1	66%	0.658	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.4	-20.8	-160.5	-66.4	17.3	0	0	0	114.1	E646	E646-D648 PolarHBondContact O-N 2.81Å
649	V	43.9	Very low	42.1	Very low	112 Å²	112	113.2 Å²	113.2	68%	0.679	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-33.2	-173.5	-165.3	0	0	0	0	113	F651	V649-F651 PolarHBondContact O-N 2.85Å
650	M	46.2	Very low	42.8	Very low	144 Å²	144	114.8 Å²	114.8	71%	0.709	63%	0.631	S	S	*	*	H	α-helix	trans	-68.2	-17.3	171.8	-75.3	-67.1	-162.5	0	0	112.7
651	F	42.4	Very low	43.7	Very low	147 Å²	147	119.8 Å²	119.8	65%	0.645	63%	0.629	S	S	*	*	H	α-helix	trans	-73.3	-31.1	-175.5	-156.5	-101.4	0	0	0	112.9	V649 I655	V649-F651 PolarHBondContact O-N 2.85Å; F651-I655 HydrophobicContact CD1-CD1 3.95Å; F651-I655 HydrophobicContact CE1-CD1 3.98Å; F651-I655 WeakPolarHBondContact O-CD1 3.48Å; F651-I655 WeakPolarHBondContact O-CG1 3.43Å
652	E	41.2	Very low	44.3	Very low	145 Å²	145	118.9 Å²	118.9	68%	0.678	63%	0.631	S	S	*	*	H	α-helix	trans	-77.2	-40.6	179.6	-67.9	-171	135.1	0	0	112.8	A654 I655 D656	E652-A654 VanDerWaalsContact C-N 3.3Å; E652-A654 PolarHBondContact O-N 3.29Å; E652-I655 PolarHBondContact O-N 2.89Å; E652-I655 VanDerWaalsContact O-N 3.09Å; E652-D656 PolarHBondContact O-N 3.18Å
653	A	43.7	Very low	44.3	Very low	66 Å²	66	116.4 Å²	116.4	55%	0.545	63%	0.627	S	S	.	*	H	α-helix	trans	-65.3	-30.6	-178.7	0	0	0	0	0	113.6	S657	A653-S657 PolarHBondContact O-N 3.27Å; A653-S657 PolarHBondContact O-OG 3.28Å
654	A	50.3	Low	44.4	Very low	60 Å²	60	111.7 Å²	111.7	50%	0.496	62%	0.622	S	S	.	*	H	α-helix	trans	-70.4	-31.9	174	0	0	0	0	0	112.6	E652 S657 A658	E652-A654 VanDerWaalsContact C-N 3.3Å; E652-A654 PolarHBondContact O-N 3.29Å; A654-S657 PolarHBondContact O-OG 3.41Å; A654-A658 WeakPolarHBondContact O-CB 3.32Å; A654-A658 PolarHBondContact O-N 3.2Å; A654-A658 VanDerWaalsContact O-N 3.15Å
655	I	49.3	Very low	45	Very low	93 Å²	93	111 Å²	111	48%	0.477	63%	0.63	S	S	.	*	H	α-helix	trans	-72.8	-44.3	-179.3	-69.2	169.8	0	0	0	110.8	F651 E652 A658 R659	F651-I655 HydrophobicContact CD1-CD1 3.95Å; F651-I655 HydrophobicContact CE1-CD1 3.98Å; F651-I655 WeakPolarHBondContact O-CD1 3.48Å; F651-I655 WeakPolarHBondContact O-CG1 3.43Å; E652-I655 PolarHBondContact O-N 2.89Å; E652-I655 VanDerWaalsContact O-N 3.09Å; I655-A658 PolarHBondContact O-N 3.03Å; I655-R659 WeakPolarHBondContact O-CB 3.26Å; I655-R659 PolarHBondContact O-N 3.47Å
656	D	39.7	Very low	44.6	Very low	94 Å²	94	110 Å²	110	50%	0.503	64%	0.638	S	S	.	*	H	α-helix	trans	-68	-36.4	178	-87.6	-19.3	0	0	0	112.6	E652 A658 R659 M660	E652-D656 PolarHBondContact O-N 3.18Å; D656-A658 VanDerWaalsContact C-N 3.32Å; D656-A658 PolarHBondContact O-N 2.84Å; D656-R659 WeakPolarHBondContact O-CB 2.9Å; D656-R659 PolarHBondContact O-N 3.03Å; D656-M660 VanDerWaalsContact O-CG 3.27Å; D656-M660 WeakPolarHBondContact O-CG 3.43Å; D656-M660 PolarHBondContact O-N 3.5Å
657	S	49	Very low	44.4	Very low	56 Å²	56	106.4 Å²	106.4	39%	0.392	64%	0.641	S	S	.	*	H	α-helix	trans	-73.4	-19.3	175.8	57.4	0	0	0	0	114.2	A653 A654 R661	A653-S657 PolarHBondContact O-N 3.27Å; A653-S657 PolarHBondContact O-OG 3.28Å; A654-S657 PolarHBondContact O-OG 3.41Å; S657-R661 PolarHBondContact O-NE 2.86Å; S657-R661 VanDerWaalsContact O-NE 3.09Å
658	A	51.9	Low	44.3	Very low	56 Å²	56	111.1 Å²	111.1	46%	0.463	65%	0.649	S	S	.	*	H	α-helix	trans	-78.6	-41.3	164.8	0	0	0	0	0	111.5	A654 I655 D656 M660 R661 A662	A654-A658 WeakPolarHBondContact O-CB 3.32Å; A654-A658 PolarHBondContact O-N 3.2Å; A654-A658 VanDerWaalsContact O-N 3.15Å; I655-A658 PolarHBondContact O-N 3.03Å; D656-A658 VanDerWaalsContact C-N 3.32Å; D656-A658 PolarHBondContact O-N 2.84Å; A658-M660 PolarHBondContact O-N 2.95Å; A658-R661 PolarHBondContact O-N 3.16Å; A658-A662 PolarHBondContact O-N 3.33Å
659	R	45	Very low	44.2	Very low	181 Å²	181	112.5 Å²	112.5	68%	0.683	66%	0.656	S	S	*	*	H	α-helix	trans	-63	-38.8	178.7	-164.4	178.9	-167	178.2	4.4	112.9	I655 D656 R661 A662 A663	I655-R659 WeakPolarHBondContact O-CB 3.26Å; I655-R659 PolarHBondContact O-N 3.47Å; D656-R659 WeakPolarHBondContact O-CB 2.9Å; D656-R659 PolarHBondContact O-N 3.03Å; R659-R661 VanDerWaalsContact C-N 3.34Å; R659-A662 PolarHBondContact O-N 2.8Å; R659-A663 WeakPolarHBondContact O-CB 3.31Å; R659-A663 PolarHBondContact O-N 3.42Å; R659-A663 VanDerWaalsContact O-N 3.14Å
660	M	46.6	Very low	43.9	Very low	147 Å²	147	116.7 Å²	116.7	72%	0.724	67%	0.666	S	S	*	*	H	α-helix	trans	-66	-34.2	175.4	-70.8	-71.9	-85.9	0	0	112.5	D656 A658 A663	D656-M660 VanDerWaalsContact O-CG 3.27Å; D656-M660 WeakPolarHBondContact O-CG 3.43Å; D656-M660 PolarHBondContact O-N 3.5Å; A658-M660 PolarHBondContact O-N 2.95Å; M660-A663 PolarHBondContact O-N 3.41Å
661	R	53.2	Low	43.8	Very low	201 Å²	201	118.9 Å²	118.9	76%	0.758	67%	0.672	S	S	*	*	H	α-helix	trans	-73	-36.6	173.2	-83.4	179.8	-82.1	-168.2	-4.3	112.7	S657 A658 R659 A663	S657-R661 PolarHBondContact O-NE 2.86Å; S657-R661 VanDerWaalsContact O-NE 3.09Å; A658-R661 PolarHBondContact O-N 3.16Å; R659-R661 VanDerWaalsContact C-N 3.34Å; R661-A663 PolarHBondContact O-N 2.94Å
662	A	47.7	Very low	44.1	Very low	92 Å²	92	120.9 Å²	120.9	76%	0.76	68%	0.683	S	S	*	*	H	α-helix	trans	-69.1	-16.6	174	0	0	0	0	0	113.9	A658 R659	A658-A662 PolarHBondContact O-N 3.33Å; R659-A662 PolarHBondContact O-N 2.8Å
663	A	41.3	Very low	44.2	Very low	66 Å²	66	119.1 Å²	119.1	55%	0.545	68%	0.678	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.8	0.1	-176.8	0	0	0	0	0	115.1	R659 M660 R661 V665	R659-A663 WeakPolarHBondContact O-CB 3.31Å; R659-A663 PolarHBondContact O-N 3.42Å; R659-A663 VanDerWaalsContact O-N 3.14Å; M660-A663 PolarHBondContact O-N 3.41Å; R661-A663 PolarHBondContact O-N 2.94Å; A663-V665 VanDerWaalsContact C-N 3.33Å; A663-V665 PolarHBondContact O-N 3.38Å
664	G	41.6	Very low	44.6	Very low	69 Å²	69	120.6 Å²	120.6	71%	0.711	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.3	15.2	169.1	0	0	0	0	0	116.6	G666	G664-G666 PolarHBondContact O-N 2.78Å
665	V	46.4	Very low	44.6	Very low	140 Å²	140	124.9 Å²	124.9	85%	0.848	70%	0.696	S	S	*	*			trans	-90.9	78.7	177.1	-172.7	0	0	0	0	109.9	A663	A663-V665 VanDerWaalsContact C-N 3.33Å; A663-V665 PolarHBondContact O-N 3.38Å
666	G	32.8	Very low	44.7	Very low	75 Å²	75	125.6 Å²	125.6	77%	0.773	70%	0.701	S	S	*	*	S	Bend	trans	171.5	75.4	-178.4	0	0	0	0	0	110.7	G664	G664-G666 PolarHBondContact O-N 2.78Å
667	G	33.6	Very low	45.1	Very low	71 Å²	71	130.3 Å²	130.3	73%	0.732	71%	0.712	S	S	*	*			trans	-86.9	135	-169.5	0	0	0	0	0	114.6
668	K	40.9	Very low	45.4	Very low	195 Å²	195	134.5 Å²	134.5	85%	0.848	73%	0.729	S	S	*	*	S	Bend	trans	71.4	150.7	158.1	-62.7	-175.2	175.8	-177	0	118.4
669	D	42.1	Very low	46.1	Very low	152 Å²	152	136.8 Å²	136.8	81%	0.813	73%	0.734	S	S	*	*			trans	70.5	59.9	167.3	-51.9	-20.3	0	0	0	118.4
670	F	36.8	Very low	47.4	Very low	201 Å²	201	132.7 Å²	132.7	88%	0.882	72%	0.718	S	S	*	*			trans	-94.4	94.7	145.1	-95.7	-92.7	0	0	0	109.8	E672	F670-E672 PolarHBondContact O-N 3.19Å
671	K	45.1	Very low	49	Very low	190 Å²	190	127.3 Å²	127.3	83%	0.826	69%	0.694	S	S	*	*			trans	-68	124	155.6	-76.5	-178.7	176.8	177.4	0	107.2	N673	K671-N673 PolarHBondContact O-N 2.75Å; K671-N673 VanDerWaalsContact O-N 3.07Å
672	E	48.7	Very low	50.4	Low	189 Å²	189	119.9 Å²	119.9	88%	0.883	67%	0.669	S	S	*	*			trans	-65.7	108.4	176	-65.4	-171.1	158.5	0	0	109.9	F670 P674	F670-E672 PolarHBondContact O-N 3.19Å; E672-P674 WeakPolarHBondContact O-CD 3.23Å
673	N	43.3	Very low	51.8	Low	108 Å²	108	121.1 Å²	121.1	58%	0.578	68%	0.679	S	S	*	*			trans	-70	121.5	169.6	-92.1	-18.1	0	0	0	109	K671 N675 L676	K671-N673 PolarHBondContact O-N 2.75Å; K671-N673 VanDerWaalsContact O-N 3.07Å; N673-N675 PolarHBondContact O-N 2.67Å; N673-N675 VanDerWaalsContact O-N 3.11Å; N673-L676 HydrophobicContact CB-CD1 4.06Å; N673-L676 HydrophobicContact CB-CG 4.22Å; N673-L676 PolarHBondContact O-N 2.95Å; N673-L676 VanDerWaalsContact O-N 3.12Å
674	P	52	Low	53.6	Low	96 Å²	96	123.4 Å²	123.4	62%	0.623	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-62.7	-20.9	178.8	24.4	-33	0	0	0	112.9	E672 L676	E672-P674 WeakPolarHBondContact O-CD 3.23Å; P674-L676 VanDerWaalsContact C-N 3.29Å; P674-L676 PolarHBondContact O-N 3.43Å
675	N	49.6	Very low	55.6	Low	150 Å²	150	120.5 Å²	120.5	80%	0.802	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-81.4	4.4	178.3	-62.4	4.9	0	0	0	114.3	N673	N673-N675 PolarHBondContact O-N 2.67Å; N673-N675 VanDerWaalsContact O-N 3.11Å
676	L	52.5	Low	57.6	Low	108 Å²	108	115.8 Å²	115.8	57%	0.565	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-95.6	12.8	174.3	-79.7	172.6	0	0	0	113.7	N673 P674 D678	N673-L676 HydrophobicContact CB-CD1 4.06Å; N673-L676 HydrophobicContact CB-CG 4.22Å; N673-L676 PolarHBondContact O-N 2.95Å; N673-L676 VanDerWaalsContact O-N 3.12Å; P674-L676 VanDerWaalsContact C-N 3.29Å; P674-L676 PolarHBondContact O-N 3.43Å; L676-D678 PolarHBondContact O-N 3.13Å
677	R	47.9	Very low	60.2	Low	194 Å²	194	112.3 Å²	112.3	73%	0.732	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-8.1	-174	-81.2	-172.5	159.5	-157.6	-4.8	115.8	W680	R677-W680 PolarHBondContact O-NE1 3.42Å
678	D	54.9	Low	62.8	Low	143 Å²	143	113.5 Å²	113.5	77%	0.765	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	-5.3	-168.2	-57.7	-34.5	0	0	0	115.4	L676 W680	L676-D678 PolarHBondContact O-N 3.13Å; D678-W680 VanDerWaalsContact C-N 3.3Å; D678-W680 PolarHBondContact O-N 3.17Å
679	N	65.4	Low	65	Low	104 Å²	104	104.5 Å²	104.5	56%	0.556	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	20.4	-177	-164.3	25.7	0	0	0	114.5	T681 R688	N679-T681 VanDerWaalsContact C-N 3.34Å; N679-R688 VanDerWaalsContact CG-NH1 3.26Å; N679-R688 PolarHBondContact ND2-NH1 3.16Å; N679-R688 PolarHBondContact O-NH1 3.06Å; N679-R688 PolarHBondContact OD1-NH1 3.01Å
680	W	72.3	Confident	67.3	Low	95 Å²	95	101.6 Å²	101.6	36%	0.36	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-24	175.8	-61.7	108.2	0	0	0	113.4	R677 D678 Y687 R688 K772	R677-W680 PolarHBondContact O-NE1 3.42Å; D678-W680 VanDerWaalsContact C-N 3.3Å; D678-W680 PolarHBondContact O-N 3.17Å; W680-Y687 HydrophobicContact CB-CD2 4.49Å; W680-Y687 HydrophobicContact CB-CE2 4.02Å; W680-R688 WeakPolarHBondContact O-CB 3.25Å; W680-R688 PolarHBondContact O-N 2.89Å; W680-K772 HydrophobicContact CB-CD 4.08Å; W680-K772 HydrophobicContact CD2-CD 3.83Å; W680-K772 HydrophobicContact CE3-CD 4.25Å; W680-K772 HydrophobicContact CG-CD 3.72Å
681	T	80.9	Confident	69.8	Low	34 Å²	34	97.4 Å²	97.4	21%	0.209	49%	0.493	C	S	.	.	B	Isolated β-bridge	trans	-103.6	132.8	-178	-49.7	0	0	0	0	108.1	N679 Y686 N733 H774	N679-T681 VanDerWaalsContact C-N 3.34Å; T681-Y686 CarbonylContact C-O 3.59Å; T681-Y686 VanDerWaalsContact CA-O 3.28Å; T681-Y686 WeakPolarHBondContact CA-O 3.44Å; T681-Y686 WeakPolarHBondContact CG2-O 3.32Å; T681-N733 HydrophobicContact CG2-CB 4.08Å; T681-H774 PolarHBondContact OG1-NE2 2.87Å
682	D	82.1	Confident	71.8	Confident	46 Å²	46	91.3 Å²	91.3	25%	0.246	48%	0.484	C	S	.	.			trans	-67.9	161.1	170.8	-80.1	-56.9	0	0	0	111.3	E684 G685 Y686 R688	D682-E684 PolarHBondContact O-N 3.27Å; D682-G685 PolarHBondContact O-N 3.38Å; D682-Y686 HydrophobicContact CB-CD2 3.92Å; D682-Y686 PolarHBondContact N-O 3.38Å; D682-R688 IonicContact OD1-CZ 2.87Å; D682-R688 IonicContact OD1-NE 2.66Å; D682-R688 PolarHBondContact OD1-NE 3.05Å; D682-R688 IonicContact OD1-NH2 3.25Å; D682-R688 PolarHBondContact OD1-NH2 3.21Å; D682-R688 IonicContact OD2-NE 2.76Å
683	A	78.5	Confident	73.8	Confident	117 Å²	117	83.7 Å²	83.7	97%	0.967	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-25.5	176.1	0	0	0	0	0	113.5
684	E	79.3	Confident	76.1	Confident	115 Å²	115	81.4 Å²	81.4	54%	0.537	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	6.6	173.6	-47.1	-176.9	-168.8	0	0	114.6	D682 Y686 R732	D682-E684 PolarHBondContact O-N 3.27Å; E684-Y686 HydrophobicContact CB-CD2 4.18Å; E684-Y686 HydrophobicContact CB-CE2 3.95Å; E684-Y686 HydrophobicContact CG-CE2 4.14Å; E684-Y686 WeakPolarHBondContact OE2-CE2 3.25Å; E684-Y686 PolarHBondContact OE2-OH 2.65Å; E684-R732 WeakPolarHBondContact O-CD 3.36Å; E684-R732 PolarHBondContact O-NH1 2.97Å; E684-R732 IonicContact OE2-CZ 3.65Å; E684-R732 IonicContact OE2-NH1 3.32Å; E684-R732 PolarHBondContact OE2-NH1 3.2Å; E684-R732 IonicContact OE2-NH2 2.69Å
685	G	83.6	Confident	77.9	Confident	7 Å²	7	76.9 Å²	76.9	7%	0.072	41%	0.409	C	S	.	.	S	Bend	trans	83.1	8.3	-179.6	0	0	0	0	0	116.2	D682 R732 N733 H774	D682-G685 PolarHBondContact O-N 3.38Å; G685-R732 CarbonylContact O-C 3.54Å; G685-R732 WeakPolarHBondContact O-CA 3.4Å; G685-R732 WeakPolarHBondContact O-CB 3.48Å; G685-N733 PolarHBondContact O-N 3.18Å; G685-H774 PolarHBondContact O-CE1 2.9Å
686	Y	86.8	Confident	79.8	Confident	42 Å²	42	72.5 Å²	72.5	17%	0.165	39%	0.386	C	S	.	.			trans	-66.1	154.7	168.7	-53.2	-76.2	0	0	0	110.7	T681 D682 E684 Q707 R732	T681-Y686 CarbonylContact C-O 3.59Å; T681-Y686 VanDerWaalsContact CA-O 3.28Å; T681-Y686 WeakPolarHBondContact CA-O 3.44Å; T681-Y686 WeakPolarHBondContact CG2-O 3.32Å; D682-Y686 HydrophobicContact CB-CD2 3.92Å; D682-Y686 PolarHBondContact N-O 3.38Å; E684-Y686 HydrophobicContact CB-CD2 4.18Å; E684-Y686 HydrophobicContact CB-CE2 3.95Å; E684-Y686 HydrophobicContact CG-CE2 4.14Å; E684-Y686 WeakPolarHBondContact OE2-CE2 3.25Å; E684-Y686 PolarHBondContact OE2-OH 2.65Å; Y686-Q707 HydrophobicContact CD1-CG 4.47Å; Y686-Q707 VanDerWaalsContact CD1-NE2 3.26Å; Y686-Q707 HydrophobicContact CE1-CG 4.19Å; Y686-R732 HydrophobicContact CD1-CG 4.48Å; Y686-R732 VanDerWaalsContact CZ-CZ 3.49Å; Y686-R732 VanDerWaalsContact CZ-NH1 3.34Å; Y686-R732 PolarHBondContact OH-NH2 3.48Å
687	Y	88.9	Confident	81.6	Confident	2 Å²	2	77 Å²	77	1%	0.008	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-93.1	126	167.1	-178.7	-113.9	0	0	0	111.2	W680 V689 E693 L695 N712 I730 H771 K772 H774	W680-Y687 HydrophobicContact CB-CD2 4.49Å; W680-Y687 HydrophobicContact CB-CE2 4.02Å; Y687-V689 HydrophobicContact CD1-CB 4.35Å; Y687-V689 HydrophobicContact CD1-CG2 3.43Å; Y687-V689 VanDerWaalsContact CD1-CG2 3.43Å; Y687-V689 HydrophobicContact CE1-CB 4.25Å; Y687-V689 HydrophobicContact CE1-CG2 3.73Å; Y687-V689 PolarHBondContact O-N 3.1Å; Y687-V689 VanDerWaalsContact O-N 3.15Å; Y687-E693 PolarHBondContact OH-OE1 3.13Å; Y687-E693 PolarHBondContact OH-OE2 3.3Å; Y687-L695 HydrophobicContact CE1-CD2 4.4Å; Y687-N712 PolarHBondContact O-ND2 3.16Å; Y687-I730 HydrophobicContact CD1-CD1 3.7Å; Y687-I730 HydrophobicContact CD1-CG2 4.13Å; Y687-I730 HydrophobicContact CE1-CD1 4.28Å; Y687-I730 HydrophobicContact CG-CG2 4.1Å; Y687-H771 AromaticContact CZ-CD2 3.72Å; Y687-H771 AromaticContact CZ-NE2 3.85Å; Y687-H771 PolarHBondContact OH-NE2 3.17Å; Y687-K772 HydrophobicContact CE2-CB 4.3Å; Y687-K772 HydrophobicContact CE2-CD 3.55Å; Y687-K772 PolarHBondContact OH-NZ 3.41Å; Y687-H774 AromaticContact CD2-CD2 3.52Å; Y687-H774 AromaticContact CD2-NE2 3.59Å; Y687-H774 AromaticContact CG-CD2 3.89Å; Y687-H774 AromaticContact CG-NE2 3.99Å
688	R	87.2	Confident	83.7	Confident	96 Å²	96	69.9 Å²	69.9	36%	0.362	37%	0.374	S	S	.	.			trans	-78.9	93.8	173.7	-66.4	-176.5	-178.2	146.5	2.7	110.7	N679 W680 D682	N679-R688 VanDerWaalsContact CG-NH1 3.26Å; N679-R688 PolarHBondContact ND2-NH1 3.16Å; N679-R688 PolarHBondContact O-NH1 3.06Å; N679-R688 PolarHBondContact OD1-NH1 3.01Å; W680-R688 WeakPolarHBondContact O-CB 3.25Å; W680-R688 PolarHBondContact O-N 2.89Å; D682-R688 IonicContact OD1-CZ 2.87Å; D682-R688 IonicContact OD1-NE 2.66Å; D682-R688 PolarHBondContact OD1-NE 3.05Å; D682-R688 IonicContact OD1-NH2 3.25Å; D682-R688 PolarHBondContact OD1-NH2 3.21Å; D682-R688 IonicContact OD2-NE 2.76Å
689	V	87.9	Confident	85.6	Confident	5 Å²	5	63.2 Å²	63.2	3%	0.03	34%	0.338	C	S	.	.			trans	-73.2	141.9	175.5	-176.9	0	0	0	0	110.2	Y687 V701 Y704 I714 I730	Y687-V689 HydrophobicContact CD1-CB 4.35Å; Y687-V689 HydrophobicContact CD1-CG2 3.43Å; Y687-V689 VanDerWaalsContact CD1-CG2 3.43Å; Y687-V689 HydrophobicContact CE1-CB 4.25Å; Y687-V689 HydrophobicContact CE1-CG2 3.73Å; Y687-V689 PolarHBondContact O-N 3.1Å; Y687-V689 VanDerWaalsContact O-N 3.15Å; V689-V701 HydrophobicContact CG1-CB 4.38Å; V689-V701 HydrophobicContact CG1-CG1 3.75Å; V689-V701 HydrophobicContact CG1-CG2 4.25Å; V689-Y704 HydrophobicContact CB-CE1 4.09Å; V689-Y704 PolarHBondContact O-OH 3.1Å; V689-I714 HydrophobicContact CB-CG2 4.47Å; V689-I714 HydrophobicContact CG1-CD1 3.87Å; V689-I714 HydrophobicContact CG1-CG2 4.26Å; V689-I714 HydrophobicContact CG2-CD1 4.13Å; V689-I714 HydrophobicContact CG2-CG2 4.04Å; V689-I730 HydrophobicContact CG2-CD1 3.76Å
690	N	88.9	Confident	86.9	Confident	92 Å²	92	61.2 Å²	61.2	49%	0.492	33%	0.327	S	S	.	.			trans	-108.5	137.3	166.2	-68.6	-55.8	0	0	0	110.5	G692 E693	N690-G692 PolarHBondContact O-N 3.5Å; N690-E693 HydrophobicContact CB-CB 4.25Å; N690-E693 VanDerWaalsContact O-CB 3.24Å; N690-E693 WeakPolarHBondContact O-CB 3.46Å; N690-E693 PolarHBondContact O-N 3.21Å
691	I	90.4	Very high	88	Confident	113 Å²	113	56.9 Å²	56.9	58%	0.579	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	128.1	172	-56.9	175.3	0	0	0	107.5	Y704	I691-Y704 HydrophobicContact CD1-CD2 4.23Å; I691-Y704 HydrophobicContact CD1-CE2 4.07Å; I691-Y704 HydrophobicContact CG1-CD2 4.33Å; I691-Y704 HydrophobicContact CG1-CE2 3.87Å
692	G	87.1	Confident	88.5	Confident	61 Å²	61	59.3 Å²	59.3	63%	0.629	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	90	-1.1	-168.6	0	0	0	0	0	114.5	N690 V701	N690-G692 PolarHBondContact O-N 3.5Å; G692-V701 PolarHBondContact N-O 3.04Å
693	E	90.8	Very high	88.9	Confident	29 Å²	29	57.8 Å²	57.8	14%	0.136	31%	0.312	C	S	.	.			trans	-72.1	134.8	169.1	-173.4	176.4	-168.5	0	0	110.5	Y687 N690 L695 V701 H771 K772	Y687-E693 PolarHBondContact OH-OE1 3.13Å; Y687-E693 PolarHBondContact OH-OE2 3.3Å; N690-E693 HydrophobicContact CB-CB 4.25Å; N690-E693 VanDerWaalsContact O-CB 3.24Å; N690-E693 WeakPolarHBondContact O-CB 3.46Å; N690-E693 PolarHBondContact O-N 3.21Å; E693-L695 HydrophobicContact CG-CD2 4.03Å; E693-V701 WeakPolarHBondContact O-CB 3.47Å; E693-V701 WeakPolarHBondContact O-CG2 3.5Å; E693-V701 PolarHBondContact O-N 2.86Å; E693-H771 IonicContact OE1-CE1 2.77Å; E693-H771 IonicContact OE1-NE2 3.02Å; E693-H771 PolarHBondContact OE1-NE2 3.32Å; E693-K772 IonicContact OE1-NZ 3.1Å; E693-K772 PolarHBondContact OE1-NZ 2.89Å
694	T	90.4	Very high	89.3	Confident	61 Å²	61	57.7 Å²	57.7	37%	0.374	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	106.7	171.3	-52.4	0	0	0	0	110.2	K697 R698 Y699 D700	T694-K697 VanDerWaalsContact CG2-C 3.42Å; T694-R698 VanDerWaalsContact CG2-N 3.26Å; T694-Y699 CarbonylContact C-O 3.11Å; T694-Y699 WeakPolarHBondContact CA-O 3.39Å; T694-D700 WeakPolarHBondContact CB-OD1 3.25Å; T694-D700 VanDerWaalsContact CG2-OD1 3.24Å; T694-D700 WeakPolarHBondContact CG2-OD1 3.36Å; T694-D700 PolarHBondContact OG1-OD1 2.95Å
695	L	90	Very high	89.5	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	145.1	174.3	-51.2	179.3	0	0	0	110.5	Y687 E693 K697 R698 Y699 V701 I714 V728 I730 F769 H771	Y687-L695 HydrophobicContact CE1-CD2 4.4Å; E693-L695 HydrophobicContact CG-CD2 4.03Å; L695-K697 PolarHBondContact O-N 3.26Å; L695-R698 PolarHBondContact O-N 2.93Å; L695-Y699 PolarHBondContact N-O 3.37Å; L695-Y699 PolarHBondContact O-N 3.43Å; L695-V701 HydrophobicContact CD1-CG2 3.89Å; L695-V701 HydrophobicContact CG-CG2 3.86Å; L695-I714 HydrophobicContact CD1-CD1 3.68Å; L695-V728 HydrophobicContact CD1-CG1 4.39Å; L695-I730 HydrophobicContact CD1-CD1 3.82Å; L695-F769 HydrophobicContact CB-CE2 4.01Å; L695-F769 HydrophobicContact CB-CZ 3.85Å; L695-F769 HydrophobicContact CD1-CZ 4.43Å; L695-H771 VanDerWaalsContact CD2-NE2 3.31Å; L695-H771 WeakPolarHBondContact CD2-NE2 3.45Å
696	D	90.8	Very high	89.2	Confident	59 Å²	59	56.6 Å²	56.6	32%	0.316	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	25	-179.8	-166.6	53.4	0	0	0	114	R698 Y699 R767 F769	D696-R698 WeakPolarHBondContact O-CB 3.49Å; D696-R698 PolarHBondContact O-N 2.97Å; D696-R698 VanDerWaalsContact O-N 3.09Å; D696-Y699 HydrophobicContact CB-CD2 3.99Å; D696-Y699 HydrophobicContact CB-CE2 4.21Å; D696-R767 IonicContact OD1-NH2 3.59Å; D696-R767 IonicContact OD2-CZ 3.11Å; D696-R767 IonicContact OD2-NH1 2.67Å; D696-R767 PolarHBondContact OD2-NH1 2.84Å; D696-R767 IonicContact OD2-NH2 2.7Å; D696-R767 PolarHBondContact OD2-NH2 3.47Å; D696-F769 HydrophobicContact CB-CD1 4.13Å; D696-F769 HydrophobicContact CB-CD2 3.77Å; D696-F769 HydrophobicContact CB-CE1 4.18Å; D696-F769 HydrophobicContact CB-CE2 3.85Å; D696-F769 HydrophobicContact CB-CG 3.93Å; D696-F769 HydrophobicContact CB-CZ 4.05Å
697	K	89.3	Confident	88.6	Confident	203 Å²	203	60.6 Å²	60.6	88%	0.883	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	22.6	-173	-53.1	179	-178.4	178.6	0	114.2	T694 L695	T694-K697 VanDerWaalsContact CG2-C 3.42Å; L695-K697 PolarHBondContact O-N 3.26Å
698	R	92.3	Very high	87.7	Confident	44 Å²	44	62.1 Å²	62.1	17%	0.166	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-145.5	-33	-168.5	178.6	176.2	171.9	172.4	-0.1	115.3	T694 L695 D696 D718 T719 A720 R721	T694-R698 VanDerWaalsContact CG2-N 3.26Å; L695-R698 PolarHBondContact O-N 2.93Å; D696-R698 WeakPolarHBondContact O-CB 3.49Å; D696-R698 PolarHBondContact O-N 2.97Å; D696-R698 VanDerWaalsContact O-N 3.09Å; R698-D718 WeakPolarHBondContact CG-OD1 3.14Å; R698-D718 IonicContact CZ-OD1 3.52Å; R698-D718 IonicContact CZ-OD2 2.92Å; R698-D718 VanDerWaalsContact CZ-OD2 3.27Å; R698-D718 VanDerWaalsContact NE-CG 3.26Å; R698-D718 IonicContact NE-OD1 2.73Å; R698-D718 PolarHBondContact NE-OD1 3.23Å; R698-D718 IonicContact NE-OD2 3.79Å; R698-D718 PolarHBondContact NE-OD2 3.1Å; R698-D718 VanDerWaalsContact NE-OD2 3.11Å; R698-D718 IonicContact NH2-OD1 2.86Å; R698-D718 PolarHBondContact NH2-OD1 3.09Å; R698-D718 IonicContact NH2-OD2 3.53Å; R698-D718 PolarHBondContact NH2-OD2 3.17Å; R698-T719 PolarHBondContact O-N 3.35Å; R698-T719 PolarHBondContact O-OG1 3Å; R698-A720 HydrophobicContact CG-CB 3.99Å; R698-R721 VanDerWaalsContact NH2-CG 3.3Å
699	Y	94.3	Very high	87.2	Confident	3 Å²	3	64 Å²	64	1%	0.012	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	98.3	-174.4	-60.9	-66.7	0	0	0	110.6	T694 L695 D696 V701 R717 D718 V726 R767 F769 V778	T694-Y699 CarbonylContact C-O 3.11Å; T694-Y699 WeakPolarHBondContact CA-O 3.39Å; L695-Y699 PolarHBondContact N-O 3.37Å; L695-Y699 PolarHBondContact O-N 3.43Å; D696-Y699 HydrophobicContact CB-CD2 3.99Å; D696-Y699 HydrophobicContact CB-CE2 4.21Å; Y699-V701 PolarHBondContact O-N 3.12Å; Y699-R717 WeakPolarHBondContact CA-O 3.45Å; Y699-D718 HydrophobicContact CD1-CB 4.03Å; Y699-D718 HydrophobicContact CE1-CB 3.79Å; Y699-D718 WeakPolarHBondContact CE1-OD2 3.49Å; Y699-V726 HydrophobicContact CD1-CG2 3.67Å; Y699-V726 HydrophobicContact CE1-CG2 4Å; Y699-R767 VanDerWaalsContact CE2-NH1 3.33Å; Y699-R767 WeakPolarHBondContact OH-CD 3.29Å; Y699-R767 PolarHBondContact OH-NH1 3.36Å; Y699-F769 HydrophobicContact CD2-CD1 4.37Å; Y699-F769 AromaticContact CD2-CE1 3.55Å; Y699-F769 HydrophobicContact CD2-CE1 3.55Å; Y699-F769 AromaticContact CD2-CZ 3.92Å; Y699-F769 HydrophobicContact CD2-CZ 3.92Å; Y699-F769 AromaticContact CE2-CD1 3.99Å; Y699-F769 HydrophobicContact CE2-CD1 3.99Å; Y699-F769 AromaticContact CE2-CE1 3.54Å; Y699-F769 HydrophobicContact CE2-CE1 3.54Å; Y699-F769 HydrophobicContact CE2-CZ 4.35Å; Y699-V778 HydrophobicContact CE1-CG1 4.08Å; Y699-V778 HydrophobicContact CE2-CG2 3.94Å
700	D	93.5	Very high	86.8	Confident	62 Å²	62	67.3 Å²	67.3	33%	0.332	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	111.9	177.5	-68.4	-19.5	0	0	0	109.7	T694 Y702 G716 R717 T719	T694-D700 WeakPolarHBondContact CB-OD1 3.25Å; T694-D700 VanDerWaalsContact CG2-OD1 3.24Å; T694-D700 WeakPolarHBondContact CG2-OD1 3.36Å; T694-D700 PolarHBondContact OG1-OD1 2.95Å; D700-Y702 PolarHBondContact O-N 2.54Å; D700-G716 CarbonylContact O-C 3.45Å; D700-G716 WeakPolarHBondContact O-CA 3.35Å; D700-R717 PolarHBondContact N-O 3.28Å; D700-R717 PolarHBondContact O-N 2.69Å; D700-T719 WeakPolarHBondContact OD2-CG2 3.49Å
701	V	94.3	Very high	86.8	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.018	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	122.4	-179.7	-179.6	0	0	0	0	109.9	V689 G692 E693 L695 Y699 I714	V689-V701 HydrophobicContact CG1-CB 4.38Å; V689-V701 HydrophobicContact CG1-CG1 3.75Å; V689-V701 HydrophobicContact CG1-CG2 4.25Å; G692-V701 PolarHBondContact N-O 3.04Å; E693-V701 WeakPolarHBondContact O-CB 3.47Å; E693-V701 WeakPolarHBondContact O-CG2 3.5Å; E693-V701 PolarHBondContact O-N 2.86Å; L695-V701 HydrophobicContact CD1-CG2 3.89Å; L695-V701 HydrophobicContact CG-CG2 3.86Å; Y699-V701 PolarHBondContact O-N 3.12Å; V701-I714 HydrophobicContact CB-CD1 4.35Å; V701-I714 HydrophobicContact CG1-CB 4.32Å; V701-I714 HydrophobicContact CG1-CD1 3.9Å; V701-I714 HydrophobicContact CG2-CD1 3.48Å; V701-I714 VanDerWaalsContact CG2-CD1 3.48Å
702	Y	92.4	Very high	86.8	Confident	85 Å²	85	58.4 Å²	58.4	33%	0.333	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-9.2	179.4	70.9	-97.1	0	0	0	114.2	D700 R715 R717 D725	D700-Y702 PolarHBondContact O-N 2.54Å; Y702-R715 HydrophobicContact CD1-CB 4.46Å; Y702-R715 HydrophobicContact CD2-CB 4.47Å; Y702-R715 HydrophobicContact CE1-CB 3.91Å; Y702-R715 HydrophobicContact CE2-CB 3.88Å; Y702-R715 PolarHBondContact N-O 3.03Å; Y702-R717 HydrophobicContact CD1-CG 3.78Å; Y702-R717 HydrophobicContact CE1-CG 3.7Å; Y702-D725 WeakPolarHBondContact CE1-OD1 3.47Å; Y702-D725 PolarHBondContact OH-OD1 2.95Å
703	G	90	Very high	87	Confident	14 Å²	14	57.4 Å²	57.4	14%	0.144	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	169.7	177.8	0	0	0	0	0	114.5	R715	G703-R715 PolarHBondContact N-O 2.79Å; G703-R715 PolarHBondContact O-N 3.36Å
704	Y	87.6	Confident	87.1	Confident	115 Å²	115	56 Å²	56	45%	0.451	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	144.6	175.6	-71.2	-88.4	0	0	0	110.8	V689 I691 I714	V689-Y704 HydrophobicContact CB-CE1 4.09Å; V689-Y704 PolarHBondContact O-OH 3.1Å; I691-Y704 HydrophobicContact CD1-CD2 4.23Å; I691-Y704 HydrophobicContact CD1-CE2 4.07Å; I691-Y704 HydrophobicContact CG1-CD2 4.33Å; I691-Y704 HydrophobicContact CG1-CE2 3.87Å; Y704-I714 HydrophobicContact CD1-CG2 3.72Å; Y704-I714 HydrophobicContact CE1-CG2 3.93Å
705	T	83.1	Confident	87.3	Confident	63 Å²	63	57 Å²	57	39%	0.387	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-41.4	163.8	-62	0	0	0	0	110.3	V713 R715	T705-V713 WeakPolarHBondContact CB-O 3.38Å; T705-V713 PolarHBondContact N-O 2.82Å; T705-R715 WeakPolarHBondContact OG1-CG 3.34Å; T705-R715 PolarHBondContact OG1-NE 2.98Å
706	G	76.4	Confident	87.4	Confident	36 Å²	36	57 Å²	57	37%	0.371	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	174.5	162.9	174.2	0	0	0	0	0	113.5	V713	G706-V713 PolarHBondContact N-O 2.67Å; G706-V713 PolarHBondContact O-N 3.34Å
707	Q	74.3	Confident	87.6	Confident	126 Å²	126	60.3 Å²	60.3	59%	0.589	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	114.9	171.2	173.7	162.4	18.3	0	0	108	Y686 N712	Y686-Q707 HydrophobicContact CD1-CG 4.47Å; Y686-Q707 VanDerWaalsContact CD1-NE2 3.26Å; Y686-Q707 HydrophobicContact CE1-CG 4.19Å; Q707-N712 WeakPolarHBondContact CG-OD1 3.32Å
708	G	71.2	Confident	87.8	Confident	34 Å²	34	51 Å²	51	35%	0.351	25%	0.254	S	S	.	.			trans	-94.5	167.9	174.8	0	0	0	0	0	111.4	F710 S711	G708-F710 PolarHBondContact O-N 3.1Å; G708-F710 VanDerWaalsContact O-N 3.15Å; G708-S711 WeakPolarHBondContact CA-O 3.28Å; G708-S711 PolarHBondContact N-O 2.9Å
709	M	75.9	Confident	87.7	Confident	136 Å²	136	52.2 Å²	52.2	67%	0.67	27%	0.267	S	S	*	.	S	Bend	trans	-55	-34.6	175.9	-170.7	-165.1	-61.7	0	0	112.3	R732	M709-R732 VanDerWaalsContact O-CZ 3.24Å; M709-R732 PolarHBondContact O-NE 3.16Å; M709-R732 PolarHBondContact O-NH2 3.12Å
710	F	79.6	Confident	87.4	Confident	74 Å²	74	55.3 Å²	55.3	33%	0.325	29%	0.292	S	S	.	.	S	Bend	trans	-104.7	-18.2	-170.7	-47.1	-58.7	0	0	0	114.4	G708 R732 M737	G708-F710 PolarHBondContact O-N 3.1Å; G708-F710 VanDerWaalsContact O-N 3.15Å; F710-R732 PolarHBondContact O-N 3.39Å; F710-R732 VanDerWaalsContact O-N 3.1Å; F710-M737 HydrophobicContact CB-SD 3.97Å; F710-M737 HydrophobicContact CD1-CE 4.19Å; F710-M737 HydrophobicContact CD1-SD 3.57Å; F710-M737 VanDerWaalsContact CD1-SD 3.57Å; F710-M737 HydrophobicContact CG-SD 4.19Å
711	S	88.9	Confident	87.2	Confident	8 Å²	8	59.6 Å²	59.6	6%	0.056	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	150.9	-166.9	61	0	0	0	0	113.1	G708 K729 I730	G708-S711 WeakPolarHBondContact CA-O 3.28Å; G708-S711 PolarHBondContact N-O 2.9Å; S711-K729 WeakPolarHBondContact OG-CE 3.48Å; S711-K729 WeakPolarHBondContact OG-CG 3.12Å; S711-I730 CarbonylContact C-O 3.53Å; S711-I730 WeakPolarHBondContact CA-O 3.37Å; S711-I730 VanDerWaalsContact CB-O 3.23Å; S711-I730 WeakPolarHBondContact CB-O 3.47Å
712	N	90.8	Very high	86.7	Confident	11 Å²	11	64.6 Å²	64.6	6%	0.059	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131	170.2	-67	-9.3	0	0	0	109.6	Y687 Q707 I730	Y687-N712 PolarHBondContact O-ND2 3.16Å; Q707-N712 WeakPolarHBondContact CG-OD1 3.32Å; N712-I730 PolarHBondContact N-O 3.32Å; N712-I730 PolarHBondContact O-N 3.41Å
713	V	91.6	Very high	86.4	Confident	39 Å²	39	62 Å²	62	24%	0.236	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.9	177.2	-174.5	0	0	0	0	109.9	T705 G706 V728 K729	T705-V713 WeakPolarHBondContact CB-O 3.38Å; T705-V713 PolarHBondContact N-O 2.82Å; G706-V713 PolarHBondContact N-O 2.67Å; G706-V713 PolarHBondContact O-N 3.34Å; V713-V728 WeakPolarHBondContact CA-O 3.41Å; V713-K729 HydrophobicContact CG2-CB 4.29Å; V713-K729 HydrophobicContact CG2-CG 4.05Å
714	I	93.4	Very high	86.5	Confident	0 Å²	0	66 Å²	66	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	163.3	-175.1	64.6	178.7	0	0	0	111.6	V689 L695 V701 Y704 A727 V728 I730	V689-I714 HydrophobicContact CB-CG2 4.47Å; V689-I714 HydrophobicContact CG1-CD1 3.87Å; V689-I714 HydrophobicContact CG1-CG2 4.26Å; V689-I714 HydrophobicContact CG2-CD1 4.13Å; V689-I714 HydrophobicContact CG2-CG2 4.04Å; L695-I714 HydrophobicContact CD1-CD1 3.68Å; V701-I714 HydrophobicContact CB-CD1 4.35Å; V701-I714 HydrophobicContact CG1-CB 4.32Å; V701-I714 HydrophobicContact CG1-CD1 3.9Å; V701-I714 HydrophobicContact CG2-CD1 3.48Å; V701-I714 VanDerWaalsContact CG2-CD1 3.48Å; Y704-I714 HydrophobicContact CD1-CG2 3.72Å; Y704-I714 HydrophobicContact CE1-CG2 3.93Å; I714-A727 WeakPolarHBondContact O-CA 3.49Å; I714-V728 HydrophobicContact CD1-CB 4.38Å; I714-V728 HydrophobicContact CG1-CB 3.88Å; I714-V728 WeakPolarHBondContact CG1-O 3.32Å; I714-V728 PolarHBondContact N-O 3.43Å; I714-V728 PolarHBondContact O-N 3.09Å; I714-I730 HydrophobicContact CD1-CD1 3.77Å
715	R	93.1	Very high	86.7	Confident	82 Å²	82	63.5 Å²	63.5	31%	0.309	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.5	174.8	-54.5	-173.8	179.2	-155.5	-7.5	108.6	Y702 G703 T705 S783	Y702-R715 HydrophobicContact CD1-CB 4.46Å; Y702-R715 HydrophobicContact CD2-CB 4.47Å; Y702-R715 HydrophobicContact CE1-CB 3.91Å; Y702-R715 HydrophobicContact CE2-CB 3.88Å; Y702-R715 PolarHBondContact N-O 3.03Å; G703-R715 PolarHBondContact N-O 2.79Å; G703-R715 PolarHBondContact O-N 3.36Å; T705-R715 WeakPolarHBondContact OG1-CG 3.34Å; T705-R715 PolarHBondContact OG1-NE 2.98Å; R715-S783 PolarHBondContact NH2-O 3.38Å; R715-S783 VanDerWaalsContact NH2-O 3.14Å
716	G	93.3	Very high	87.3	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	161.5	175.8	0	0	0	0	0	111.6	D700 V726	D700-G716 CarbonylContact O-C 3.45Å; D700-G716 WeakPolarHBondContact O-CA 3.35Å; G716-V726 PolarHBondContact N-O 2.9Å; G716-V726 WeakPolarHBondContact O-CG2 3.07Å; G716-V726 PolarHBondContact O-N 2.89Å
717	R	94	Very high	88.1	Confident	129 Å²	129	59.8 Å²	59.8	49%	0.487	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.7	166.3	-67.4	-177.6	-161.6	146.6	8.3	109.8	Y699 D700 Y702 T719 Q724	Y699-R717 WeakPolarHBondContact CA-O 3.45Å; D700-R717 PolarHBondContact N-O 3.28Å; D700-R717 PolarHBondContact O-N 2.69Å; Y702-R717 HydrophobicContact CD1-CG 3.78Å; Y702-R717 HydrophobicContact CE1-CG 3.7Å; R717-T719 PolarHBondContact O-N 2.99Å; R717-Q724 WeakPolarHBondContact CA-O 3.36Å
718	D	94.5	Very high	89.1	Confident	6 Å²	6	53.8 Å²	53.8	3%	0.032	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	98.5	176.2	-172.8	-29.7	0	0	0	109.9	R698 Y699 A720 R721 G723 Q724 V726	R698-D718 WeakPolarHBondContact CG-OD1 3.14Å; R698-D718 IonicContact CZ-OD1 3.52Å; R698-D718 IonicContact CZ-OD2 2.92Å; R698-D718 VanDerWaalsContact CZ-OD2 3.27Å; R698-D718 VanDerWaalsContact NE-CG 3.26Å; R698-D718 IonicContact NE-OD1 2.73Å; R698-D718 PolarHBondContact NE-OD1 3.23Å; R698-D718 IonicContact NE-OD2 3.79Å; R698-D718 PolarHBondContact NE-OD2 3.1Å; R698-D718 VanDerWaalsContact NE-OD2 3.11Å; R698-D718 IonicContact NH2-OD1 2.86Å; R698-D718 PolarHBondContact NH2-OD1 3.09Å; R698-D718 IonicContact NH2-OD2 3.53Å; R698-D718 PolarHBondContact NH2-OD2 3.17Å; Y699-D718 HydrophobicContact CD1-CB 4.03Å; Y699-D718 HydrophobicContact CE1-CB 3.79Å; Y699-D718 WeakPolarHBondContact CE1-OD2 3.49Å; D718-A720 VanDerWaalsContact C-N 3.26Å; D718-A720 PolarHBondContact O-N 3.41Å; D718-A720 PolarHBondContact OD1-N 3.36Å; D718-R721 HydrophobicContact CB-CB 3.99Å; D718-R721 HydrophobicContact CB-CG 4.43Å; D718-R721 CarbonylContact O-C 3.52Å; D718-R721 PolarHBondContact O-N 2.83Å; D718-R721 PolarHBondContact OD1-N 3.01Å; D718-R721 WeakPolarHBondContact OD2-CG 3.41Å; D718-G723 VanDerWaalsContact O-CA 3.28Å; D718-G723 WeakPolarHBondContact O-CA 3.41Å; D718-G723 PolarHBondContact O-N 3Å; D718-Q724 PolarHBondContact N-O 2.93Å; D718-V726 HydrophobicContact CB-CG1 4.34Å
719	T	90.6	Very high	90.2	Very high	71 Å²	71	52.9 Å²	52.9	44%	0.436	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-60.4	-36.1	-178.3	56.4	0	0	0	0	112.4	R698 D700 R717 R721 A722	R698-T719 PolarHBondContact O-N 3.35Å; R698-T719 PolarHBondContact O-OG1 3Å; D700-T719 WeakPolarHBondContact OD2-CG2 3.49Å; R717-T719 PolarHBondContact O-N 2.99Å; T719-R721 VanDerWaalsContact C-N 3.26Å; T719-R721 PolarHBondContact O-N 3.2Å; T719-A722 PolarHBondContact O-N 3.08Å
720	A	88.2	Confident	91	Very high	67 Å²	67	46.5 Å²	46.5	55%	0.554	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-79.1	-3	177.9	0	0	0	0	0	114.1	R698 D718	R698-A720 HydrophobicContact CG-CB 3.99Å; D718-A720 VanDerWaalsContact C-N 3.26Å; D718-A720 PolarHBondContact O-N 3.41Å; D718-A720 PolarHBondContact OD1-N 3.36Å
721	R	87.3	Confident	91.6	Very high	153 Å²	153	43.3 Å²	43.3	58%	0.577	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-120.4	46.5	169.8	-65.6	-85.5	-162.4	-91.9	3	110.5	R698 D718 T719 G723 Q724	R698-R721 VanDerWaalsContact NH2-CG 3.3Å; D718-R721 HydrophobicContact CB-CB 3.99Å; D718-R721 HydrophobicContact CB-CG 4.43Å; D718-R721 CarbonylContact O-C 3.52Å; D718-R721 PolarHBondContact O-N 2.83Å; D718-R721 PolarHBondContact OD1-N 3.01Å; D718-R721 WeakPolarHBondContact OD2-CG 3.41Å; T719-R721 VanDerWaalsContact C-N 3.26Å; T719-R721 PolarHBondContact O-N 3.2Å; R721-G723 PolarHBondContact O-N 3.08Å; R721-G723 VanDerWaalsContact O-N 3.13Å; R721-Q724 HydrophobicContact CB-CB 4.23Å; R721-Q724 WeakPolarHBondContact O-CB 3.36Å; R721-Q724 PolarHBondContact O-N 3.29Å; R721-Q724 VanDerWaalsContact O-N 3.12Å
722	A	85.8	Confident	91.7	Very high	108 Å²	108	44.3 Å²	44.3	89%	0.893	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	30.5	175.9	0	0	0	0	0	114.7	T719	T719-A722 PolarHBondContact O-N 3.08Å
723	G	85.1	Confident	91.6	Very high	30 Å²	30	45.7 Å²	45.7	31%	0.309	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	18.2	178.9	0	0	0	0	0	114.8	D718 R721 D725	D718-G723 VanDerWaalsContact O-CA 3.28Å; D718-G723 WeakPolarHBondContact O-CA 3.41Å; D718-G723 PolarHBondContact O-N 3Å; R721-G723 PolarHBondContact O-N 3.08Å; R721-G723 VanDerWaalsContact O-N 3.13Å; G723-D725 PolarHBondContact O-N 2.82Å
724	Q	92	Very high	91.5	Very high	97 Å²	97	47.5 Å²	47.5	45%	0.453	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	131.8	177.3	-176.7	177.1	1.3	0	0	111.5	R717 D718 R721	R717-Q724 WeakPolarHBondContact CA-O 3.36Å; D718-Q724 PolarHBondContact N-O 2.93Å; R721-Q724 HydrophobicContact CB-CB 4.23Å; R721-Q724 WeakPolarHBondContact O-CB 3.36Å; R721-Q724 PolarHBondContact O-N 3.29Å; R721-Q724 VanDerWaalsContact O-N 3.12Å
725	D	92.8	Very high	91.2	Very high	64 Å²	64	55.6 Å²	55.6	34%	0.342	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	138.3	174.4	-74.8	-59.5	0	0	0	111.7	Y702 G723 P781	Y702-D725 WeakPolarHBondContact CE1-OD1 3.47Å; Y702-D725 PolarHBondContact OH-OD1 2.95Å; G723-D725 PolarHBondContact O-N 2.82Å; D725-P781 HydrophobicContact CB-CB 3.93Å; D725-P781 HydrophobicContact CB-CG 4.19Å; D725-P781 WeakPolarHBondContact O-CD 3.44Å; D725-P781 WeakPolarHBondContact O-CG 3.47Å
726	V	94.2	Very high	90.9	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.024	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	151.4	175.6	-65	0	0	0	0	110.5	Y699 G716 D718 V728 F766 V778	Y699-V726 HydrophobicContact CD1-CG2 3.67Å; Y699-V726 HydrophobicContact CE1-CG2 4Å; G716-V726 PolarHBondContact N-O 2.9Å; G716-V726 WeakPolarHBondContact O-CG2 3.07Å; G716-V726 PolarHBondContact O-N 2.89Å; D718-V726 HydrophobicContact CB-CG1 4.34Å; V726-V728 HydrophobicContact CG2-CG2 4.22Å; V726-F766 HydrophobicContact CG1-CD2 4.11Å; V726-F766 HydrophobicContact CG1-CE2 4.1Å; V726-V778 HydrophobicContact CB-CG1 3.9Å; V726-V778 HydrophobicContact CG1-CG1 4.06Å; V726-V778 HydrophobicContact CG2-CG1 4.17Å
727	A	94.6	Very high	90.7	Very high	17 Å²	17	58.5 Å²	58.5	14%	0.14	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.1	166.7	0	0	0	0	0	109.5	I714 F779	I714-A727 WeakPolarHBondContact O-CA 3.49Å; A727-F779 HydrophobicContact CB-CB 4.28Å; A727-F779 PolarHBondContact N-O 2.91Å; A727-F779 VanDerWaalsContact N-O 3.11Å; A727-F779 PolarHBondContact O-N 3.29Å
728	V	94.1	Very high	90.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.9	176.7	-172.8	0	0	0	0	109.1	L695 V713 I714 V726 I730 F769 C776 L777 V778	L695-V728 HydrophobicContact CD1-CG1 4.39Å; V713-V728 WeakPolarHBondContact CA-O 3.41Å; I714-V728 HydrophobicContact CD1-CB 4.38Å; I714-V728 HydrophobicContact CG1-CB 3.88Å; I714-V728 WeakPolarHBondContact CG1-O 3.32Å; I714-V728 PolarHBondContact N-O 3.43Å; I714-V728 PolarHBondContact O-N 3.09Å; V726-V728 HydrophobicContact CG2-CG2 4.22Å; V728-I730 HydrophobicContact CG1-CG1 4.09Å; V728-F769 HydrophobicContact CG1-CE1 4.41Å; V728-F769 HydrophobicContact CG1-CZ 4.17Å; V728-C776 HydrophobicContact CG1-CB 4.16Å; V728-L777 CarbonylContact C-O 3.49Å; V728-L777 WeakPolarHBondContact CA-O 3.31Å; V728-V778 HydrophobicContact CG2-CG2 4.43Å
729	K	93.6	Very high	90.3	Very high	15 Å²	15	61.2 Å²	61.2	7%	0.065	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	115.8	173.4	-173.2	-175.6	-164.4	-173.2	0	108.3	S711 V713 I731 E744 C776 L777 F779 D846	S711-K729 WeakPolarHBondContact OG-CE 3.48Å; S711-K729 WeakPolarHBondContact OG-CG 3.12Å; V713-K729 HydrophobicContact CG2-CB 4.29Å; V713-K729 HydrophobicContact CG2-CG 4.05Å; K729-I731 HydrophobicContact CD-CD1 4.01Å; K729-I731 HydrophobicContact CG-CD1 4.06Å; K729-E744 IonicContact NZ-OE1 3.67Å; K729-E744 PolarHBondContact NZ-OE1 3.42Å; K729-E744 IonicContact NZ-OE2 3.28Å; K729-E744 PolarHBondContact NZ-OE2 3.02Å; K729-C776 CarbonylContact O-C 3.55Å; K729-C776 WeakPolarHBondContact O-CA 3.08Å; K729-L777 HydrophobicContact CB-CB 4.35Å; K729-L777 PolarHBondContact N-O 3.05Å; K729-L777 PolarHBondContact O-N 2.96Å; K729-F779 HydrophobicContact CB-CD2 4.22Å; K729-F779 HydrophobicContact CB-CE2 3.7Å; K729-F779 HydrophobicContact CD-CE2 4.14Å; K729-D846 IonicContact NZ-OD1 2.69Å; K729-D846 PolarHBondContact NZ-OD1 2.94Å
730	I	93.3	Very high	90.3	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	109.3	179.9	-53.1	-179.8	0	0	0	107.6	Y687 V689 L695 S711 N712 I714 V728 H774	Y687-I730 HydrophobicContact CD1-CD1 3.7Å; Y687-I730 HydrophobicContact CD1-CG2 4.13Å; Y687-I730 HydrophobicContact CE1-CD1 4.28Å; Y687-I730 HydrophobicContact CG-CG2 4.1Å; V689-I730 HydrophobicContact CG2-CD1 3.76Å; L695-I730 HydrophobicContact CD1-CD1 3.82Å; S711-I730 CarbonylContact C-O 3.53Å; S711-I730 WeakPolarHBondContact CA-O 3.37Å; S711-I730 VanDerWaalsContact CB-O 3.23Å; S711-I730 WeakPolarHBondContact CB-O 3.47Å; N712-I730 PolarHBondContact N-O 3.32Å; N712-I730 PolarHBondContact O-N 3.41Å; I714-I730 HydrophobicContact CD1-CD1 3.77Å; V728-I730 HydrophobicContact CG1-CG1 4.09Å; I730-H774 HydrophobicContact CG2-CB 3.54Å
731	I	93.1	Very high	90.4	Very high	7 Å²	7	56.8 Å²	56.8	4%	0.036	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	145.8	-176.9	-54.6	-59.7	0	0	0	110.1	K729 M737 H774 L775	K729-I731 HydrophobicContact CD-CD1 4.01Å; K729-I731 HydrophobicContact CG-CD1 4.06Å; I731-M737 HydrophobicContact CG2-CB 4.02Å; I731-M737 WeakPolarHBondContact CG2-O 3.18Å; I731-H774 PolarHBondContact O-ND1 3.24Å; I731-L775 HydrophobicContact CB-CB 4.27Å; I731-L775 HydrophobicContact CG1-CB 4.21Å; I731-L775 HydrophobicContact CG1-CD2 4.42Å; I731-L775 HydrophobicContact CG1-CG 4.33Å; I731-L775 WeakPolarHBondContact CG1-O 3.46Å; I731-L775 PolarHBondContact N-O 3.46Å
732	R	90.9	Very high	90.7	Very high	29 Å²	29	53.1 Å²	53.1	11%	0.109	29%	0.289	C	S	.	.			trans	-54.3	141.8	173	-76.8	-170.3	-164.1	-116.1	6.3	111.3	E684 G685 Y686 M709 F710 N734 M737	E684-R732 WeakPolarHBondContact O-CD 3.36Å; E684-R732 PolarHBondContact O-NH1 2.97Å; E684-R732 IonicContact OE2-CZ 3.65Å; E684-R732 IonicContact OE2-NH1 3.32Å; E684-R732 PolarHBondContact OE2-NH1 3.2Å; E684-R732 IonicContact OE2-NH2 2.69Å; G685-R732 CarbonylContact O-C 3.54Å; G685-R732 WeakPolarHBondContact O-CA 3.4Å; G685-R732 WeakPolarHBondContact O-CB 3.48Å; Y686-R732 HydrophobicContact CD1-CG 4.48Å; Y686-R732 VanDerWaalsContact CZ-CZ 3.49Å; Y686-R732 VanDerWaalsContact CZ-NH1 3.34Å; Y686-R732 PolarHBondContact OH-NH2 3.48Å; M709-R732 VanDerWaalsContact O-CZ 3.24Å; M709-R732 PolarHBondContact O-NE 3.16Å; M709-R732 PolarHBondContact O-NH2 3.12Å; F710-R732 PolarHBondContact O-N 3.39Å; F710-R732 VanDerWaalsContact O-N 3.1Å; R732-N734 HydrophobicContact CB-CB 4.49Å; R732-N734 PolarHBondContact O-N 3.25Å; R732-M737 HydrophobicContact CB-CB 4.04Å; R732-M737 HydrophobicContact CB-CG 4.04Å
733	N	88.4	Confident	91	Very high	40 Å²	40	52.4 Å²	52.4	21%	0.214	27%	0.266	C	S	.	.	S	Bend	trans	-78	74.7	169.4	-170	18	0	0	0	109.9	T681 G685 Q738 Q773 H774	T681-N733 HydrophobicContact CG2-CB 4.08Å; G685-N733 PolarHBondContact O-N 3.18Å; N733-Q738 PolarHBondContact OD1-NE2 3.35Å; N733-Q773 PolarHBondContact ND2-OE1 3.35Å; N733-H774 VanDerWaalsContact CB-CE1 3.45Å; N733-H774 WeakPolarHBondContact CB-CE1 3.48Å; N733-H774 PolarHBondContact N-CE1 2.88Å; N733-H774 PolarHBondContact N-ND1 3.02Å
734	N	88.6	Confident	91.4	Very high	76 Å²	76	51.2 Å²	51.2	41%	0.406	25%	0.252	S	S	.	.	S	Bend	trans	-142.6	131.7	175.4	170.6	-36.5	0	0	0	106.5	R732 L736 M737 Q738	R732-N734 HydrophobicContact CB-CB 4.49Å; R732-N734 PolarHBondContact O-N 3.25Å; N734-L736 VanDerWaalsContact C-N 3.27Å; N734-L736 PolarHBondContact O-N 3.4Å; N734-L736 WeakPolarHBondContact OD1-CB 3.46Å; N734-L736 PolarHBondContact OD1-N 2.9Å; N734-M737 HydrophobicContact CB-CB 4.17Å; N734-M737 HydrophobicContact CB-CG 4.08Å; N734-M737 CarbonylContact O-C 3.59Å; N734-M737 WeakPolarHBondContact O-CA 3.39Å; N734-M737 WeakPolarHBondContact O-CB 3.49Å; N734-M737 PolarHBondContact O-N 2.86Å; N734-Q738 PolarHBondContact O-N 3.37Å
735	E	87.9	Confident	91.5	Very high	171 Å²	171	47.2 Å²	47.2	80%	0.799	23%	0.234	S	C	*	.	H	α-helix	trans	-52.8	-41.4	-174.8	-61.4	-176	173.9	0	0	113.5	M737 Q738 K739	E735-M737 VanDerWaalsContact C-N 3.34Å; E735-M737 PolarHBondContact O-N 3.45Å; E735-Q738 PolarHBondContact O-N 2.8Å; E735-K739 VanDerWaalsContact O-CB 3.3Å; E735-K739 WeakPolarHBondContact O-CB 3.37Å; E735-K739 PolarHBondContact O-N 3.12Å
736	L	87.4	Confident	91.5	Very high	115 Å²	115	49.2 Å²	49.2	60%	0.602	24%	0.241	S	C	*	.	H	α-helix	trans	-62.6	-43.5	176.7	-170	80.2	0	0	0	110.8	N734 T740	N734-L736 VanDerWaalsContact C-N 3.27Å; N734-L736 PolarHBondContact O-N 3.4Å; N734-L736 WeakPolarHBondContact OD1-CB 3.46Å; N734-L736 PolarHBondContact OD1-N 2.9Å; L736-T740 WeakPolarHBondContact O-CB 3.47Å; L736-T740 PolarHBondContact O-N 2.67Å; L736-T740 PolarHBondContact O-OG1 2.92Å; L736-T740 VanDerWaalsContact O-OG1 3.11Å
737	M	88.1	Confident	91.5	Very high	27 Å²	27	49.2 Å²	49.2	13%	0.133	24%	0.241	C	C	.	.	H	α-helix	trans	-71.5	-38.6	179.9	-65.3	-66.8	104.2	0	0	112	F710 I731 R732 N734 E735 T740 G741	F710-M737 HydrophobicContact CB-SD 3.97Å; F710-M737 HydrophobicContact CD1-CE 4.19Å; F710-M737 HydrophobicContact CD1-SD 3.57Å; F710-M737 VanDerWaalsContact CD1-SD 3.57Å; F710-M737 HydrophobicContact CG-SD 4.19Å; I731-M737 HydrophobicContact CG2-CB 4.02Å; I731-M737 WeakPolarHBondContact CG2-O 3.18Å; R732-M737 HydrophobicContact CB-CB 4.04Å; R732-M737 HydrophobicContact CB-CG 4.04Å; N734-M737 HydrophobicContact CB-CB 4.17Å; N734-M737 HydrophobicContact CB-CG 4.08Å; N734-M737 CarbonylContact O-C 3.59Å; N734-M737 WeakPolarHBondContact O-CA 3.39Å; N734-M737 WeakPolarHBondContact O-CB 3.49Å; N734-M737 PolarHBondContact O-N 2.86Å; E735-M737 VanDerWaalsContact C-N 3.34Å; E735-M737 PolarHBondContact O-N 3.45Å; M737-T740 PolarHBondContact O-N 2.52Å; M737-G741 PolarHBondContact O-N 2.9Å
738	Q	89.3	Confident	91.5	Very high	49 Å²	49	48.5 Å²	48.5	23%	0.229	23%	0.234	C	C	.	.	H	α-helix	trans	-63.6	-45.1	173.2	-68.6	-167.8	20.7	0	0	111.3	N733 N734 E735 T740 G741 L742 Q773	N733-Q738 PolarHBondContact OD1-NE2 3.35Å; N734-Q738 PolarHBondContact O-N 3.37Å; E735-Q738 PolarHBondContact O-N 2.8Å; Q738-T740 VanDerWaalsContact C-N 3.31Å; Q738-T740 PolarHBondContact O-N 3.44Å; Q738-G741 PolarHBondContact O-N 3.41Å; Q738-G741 VanDerWaalsContact O-N 3.14Å; Q738-L742 WeakPolarHBondContact O-CG 3.38Å; Q738-L742 PolarHBondContact O-N 2.92Å; Q738-Q773 PolarHBondContact NE2-O 3.47Å
739	K	90.6	Very high	91.5	Very high	143 Å²	143	52.8 Å²	52.8	62%	0.622	25%	0.253	S	S	*	.	H	α-helix	trans	-59.1	-42.4	175.6	-173.9	175.6	-176.9	176.2	0	111.5	E735 L742 K743	E735-K739 VanDerWaalsContact O-CB 3.3Å; E735-K739 WeakPolarHBondContact O-CB 3.37Å; E735-K739 PolarHBondContact O-N 3.12Å; K739-L742 PolarHBondContact O-N 2.95Å; K739-K743 PolarHBondContact O-N 3.29Å; K739-K743 VanDerWaalsContact O-N 3.12Å
740	T	90.4	Very high	91.5	Very high	44 Å²	44	57.1 Å²	57.1	27%	0.27	27%	0.269	S	S	.	.	H	α-helix	trans	-65.4	-41.9	173	-66.2	0	0	0	0	112.6	L736 M737 Q738 L742 K743 E744 G848	L736-T740 WeakPolarHBondContact O-CB 3.47Å; L736-T740 PolarHBondContact O-N 2.67Å; L736-T740 PolarHBondContact O-OG1 2.92Å; L736-T740 VanDerWaalsContact O-OG1 3.11Å; M737-T740 PolarHBondContact O-N 2.52Å; Q738-T740 VanDerWaalsContact C-N 3.31Å; Q738-T740 PolarHBondContact O-N 3.44Å; T740-L742 VanDerWaalsContact C-N 3.33Å; T740-L742 PolarHBondContact O-N 3.3Å; T740-K743 WeakPolarHBondContact O-CB 3.36Å; T740-K743 PolarHBondContact O-N 2.9Å; T740-E744 PolarHBondContact O-N 3.32Å; T740-G848 WeakPolarHBondContact CG2-O 3.49Å
741	G	91.9	Very high	91.6	Very high	1 Å²	1	57 Å²	57	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-65.5	-32.5	176.6	0	0	0	0	0	113.6	M737 Q738 L745	M737-G741 PolarHBondContact O-N 2.9Å; Q738-G741 PolarHBondContact O-N 3.41Å; Q738-G741 VanDerWaalsContact O-N 3.14Å; G741-L745 WeakPolarHBondContact O-CB 3.48Å; G741-L745 PolarHBondContact O-N 3.39Å
742	L	92.7	Very high	91.6	Very high	76 Å²	76	57.9 Å²	57.9	40%	0.398	27%	0.273	S	S	.	.	H	α-helix	trans	-68.5	-42.1	171.7	-74.2	172.4	0	0	0	111.8	Q738 K739 T740 L745 E746 L775	Q738-L742 WeakPolarHBondContact O-CG 3.38Å; Q738-L742 PolarHBondContact O-N 2.92Å; K739-L742 PolarHBondContact O-N 2.95Å; T740-L742 VanDerWaalsContact C-N 3.33Å; T740-L742 PolarHBondContact O-N 3.3Å; L742-L745 WeakPolarHBondContact O-CB 3.38Å; L742-L745 PolarHBondContact O-N 2.96Å; L742-E746 PolarHBondContact O-N 3.21Å; L742-L775 HydrophobicContact CD2-CD2 4.23Å; L742-L775 HydrophobicContact CG-CD2 4.32Å
743	K	91.5	Very high	91.8	Very high	94 Å²	94	62.7 Å²	62.7	41%	0.409	30%	0.301	S	S	.	.	H	α-helix	trans	-60.9	-45.9	171	-73.9	-171.4	172.2	-162.4	0	111.9	K739 T740 L745 E746 F747	K739-K743 PolarHBondContact O-N 3.29Å; K739-K743 VanDerWaalsContact O-N 3.12Å; T740-K743 WeakPolarHBondContact O-CB 3.36Å; T740-K743 PolarHBondContact O-N 2.9Å; K743-L745 VanDerWaalsContact C-N 3.32Å; K743-L745 PolarHBondContact O-N 2.83Å; K743-E746 WeakPolarHBondContact O-CB 3.47Å; K743-E746 PolarHBondContact O-N 3.41Å; K743-E746 VanDerWaalsContact O-N 3.16Å; K743-F747 HydrophobicContact CB-CD2 4.48Å; K743-F747 HydrophobicContact CB-CE2 4.05Å; K743-F747 WeakPolarHBondContact O-CD2 3.31Å; K743-F747 WeakPolarHBondContact O-CG 3.41Å; K743-F747 PolarHBondContact O-N 2.75Å
744	E	93.4	Very high	92	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.019	30%	0.303	C	S	.	.	H	α-helix	trans	-57.4	-45	175.6	167.6	165.1	-145.6	0	0	111.5	K729 T740 E746 F747 L748 L777 F847	K729-E744 IonicContact NZ-OE1 3.67Å; K729-E744 PolarHBondContact NZ-OE1 3.42Å; K729-E744 IonicContact NZ-OE2 3.28Å; K729-E744 PolarHBondContact NZ-OE2 3.02Å; T740-E744 PolarHBondContact O-N 3.32Å; E744-E746 PolarHBondContact O-N 3.07Å; E744-F747 PolarHBondContact O-N 2.93Å; E744-L748 HydrophobicContact CG-CD1 3.6Å; E744-L748 HydrophobicContact CG-CG 4.45Å; E744-L748 VanDerWaalsContact O-CB 3.32Å; E744-L748 WeakPolarHBondContact O-CB 3.31Å; E744-L748 WeakPolarHBondContact O-CD1 3.37Å; E744-L748 VanDerWaalsContact O-CG 3.27Å; E744-L748 WeakPolarHBondContact O-CG 3.17Å; E744-L748 PolarHBondContact O-N 2.92Å; E744-L777 HydrophobicContact CG-CD1 4.04Å; E744-F847 HydrophobicContact CG-CB 4.12Å; E744-F847 PolarHBondContact OE1-N 2.74Å
745	L	94.1	Very high	92.3	Very high	14 Å²	14	58.8 Å²	58.8	7%	0.073	28%	0.284	C	S	.	.	H	α-helix	trans	-59.9	-42.6	174.5	171.8	164.4	0	0	0	112.4	G741 L742 K743 K749 H768 L775 L777	G741-L745 WeakPolarHBondContact O-CB 3.48Å; G741-L745 PolarHBondContact O-N 3.39Å; L742-L745 WeakPolarHBondContact O-CB 3.38Å; L742-L745 PolarHBondContact O-N 2.96Å; K743-L745 VanDerWaalsContact C-N 3.32Å; K743-L745 PolarHBondContact O-N 2.83Å; L745-K749 HydrophobicContact CD2-CD 3.89Å; L745-K749 VanDerWaalsContact CD2-CE 3.48Å; L745-K749 WeakPolarHBondContact O-CG 3.47Å; L745-K749 PolarHBondContact O-N 2.69Å; L745-H768 HydrophobicContact CD1-CB 3.73Å; L745-H768 VanDerWaalsContact CD1-CG 3.42Å; L745-L775 HydrophobicContact CD1-CD1 4.37Å; L745-L777 HydrophobicContact CB-CD2 4.1Å; L745-L777 HydrophobicContact CD1-CD2 3.98Å; L745-L777 HydrophobicContact CG-CD2 4.39Å
746	E	93.9	Very high	92.4	Very high	105 Å²	105	55.6 Å²	55.6	49%	0.491	28%	0.279	S	S	.	.	H	α-helix	trans	-63.4	-49.1	177	-174.5	-177.9	172.1	0	0	111.5	L742 K743 E744 L748 K749 R750	L742-E746 PolarHBondContact O-N 3.21Å; K743-E746 WeakPolarHBondContact O-CB 3.47Å; K743-E746 PolarHBondContact O-N 3.41Å; K743-E746 VanDerWaalsContact O-N 3.16Å; E744-E746 PolarHBondContact O-N 3.07Å; E746-L748 PolarHBondContact O-N 2.91Å; E746-K749 PolarHBondContact O-N 3.26Å; E746-R750 WeakPolarHBondContact O-CB 3.5Å; E746-R750 PolarHBondContact O-N 2.97Å
747	F	94.1	Very high	92.6	Very high	5 Å²	5	55.2 Å²	55.2	2%	0.022	28%	0.277	C	S	.	.	H	α-helix	trans	-59.9	-45.3	176.7	-65.4	-46.4	0	0	0	111.8	K743 E744 R750 L751 I823 A850 H852	K743-F747 HydrophobicContact CB-CD2 4.48Å; K743-F747 HydrophobicContact CB-CE2 4.05Å; K743-F747 WeakPolarHBondContact O-CD2 3.31Å; K743-F747 WeakPolarHBondContact O-CG 3.41Å; K743-F747 PolarHBondContact O-N 2.75Å; E744-F747 PolarHBondContact O-N 2.93Å; F747-R750 PolarHBondContact O-N 3.24Å; F747-L751 WeakPolarHBondContact O-CB 3.49Å; F747-L751 WeakPolarHBondContact O-CG 3.47Å; F747-L751 PolarHBondContact O-N 3.38Å; F747-I823 HydrophobicContact CB-CD1 4.11Å; F747-I823 HydrophobicContact CD1-CD1 3.69Å; F747-I823 HydrophobicContact CD1-CG1 3.75Å; F747-I823 HydrophobicContact CD1-CG2 4.24Å; F747-I823 HydrophobicContact CE1-CG1 4.17Å; F747-I823 HydrophobicContact CG-CD1 4.26Å; F747-I823 HydrophobicContact CG-CG2 4.45Å; F747-A850 HydrophobicContact CD2-CB 3.69Å; F747-A850 HydrophobicContact CE2-CB 3.81Å; F747-A850 VanDerWaalsContact CE2-O 3.26Å; F747-A850 WeakPolarHBondContact CE2-O 3.34Å; F747-A850 HydrophobicContact CG-CB 4.44Å; F747-H852 AromaticContact CE1-CD2 3.88Å; F747-H852 AromaticContact CE1-CE1 3.78Å; F747-H852 AromaticContact CE1-NE2 3.71Å
748	L	94.4	Very high	92.8	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-42.6	178.4	-78.9	161.9	0	0	0	112.8	E744 E746 L751 N752 L763 L765 L777 F779 F847	E744-L748 HydrophobicContact CG-CD1 3.6Å; E744-L748 HydrophobicContact CG-CG 4.45Å; E744-L748 VanDerWaalsContact O-CB 3.32Å; E744-L748 WeakPolarHBondContact O-CB 3.31Å; E744-L748 WeakPolarHBondContact O-CD1 3.37Å; E744-L748 VanDerWaalsContact O-CG 3.27Å; E744-L748 WeakPolarHBondContact O-CG 3.17Å; E744-L748 PolarHBondContact O-N 2.92Å; E746-L748 PolarHBondContact O-N 2.91Å; L748-L751 PolarHBondContact O-N 3.13Å; L748-N752 WeakPolarHBondContact O-CB 3.11Å; L748-N752 VanDerWaalsContact O-CG 3.28Å; L748-N752 PolarHBondContact O-N 3.16Å; L748-L763 WeakPolarHBondContact CD2-O 3.48Å; L748-L765 HydrophobicContact CB-CB 3.96Å; L748-L765 HydrophobicContact CB-CD2 3.88Å; L748-L765 HydrophobicContact CD1-CB 4.33Å; L748-L765 HydrophobicContact CD1-CD1 4.42Å; L748-L765 HydrophobicContact CD1-CD2 4.44Å; L748-L765 HydrophobicContact CD2-CB 4.43Å; L748-L765 HydrophobicContact CG-CB 4.5Å; L748-L777 HydrophobicContact CD1-CD1 4.49Å; L748-F779 HydrophobicContact CD1-CE1 3.51Å; L748-F779 HydrophobicContact CD1-CZ 3.65Å; L748-F779 HydrophobicContact CD2-CE1 4.08Å; L748-F779 HydrophobicContact CG-CE1 4.44Å; L748-F847 HydrophobicContact CD2-CD2 3.53Å; L748-F847 HydrophobicContact CD2-CE2 3.64Å; L748-F847 HydrophobicContact CG-CD2 3.86Å; L748-F847 HydrophobicContact CG-CE2 4.44Å
749	K	94.1	Very high	93	Very high	90 Å²	90	60 Å²	60	39%	0.391	30%	0.299	S	S	.	.	H	α-helix	trans	-59.3	-52.7	172.5	-75.7	179.4	-177.4	176	0	110.6	L745 E746 L751 N752 D753 L765	L745-K749 HydrophobicContact CD2-CD 3.89Å; L745-K749 VanDerWaalsContact CD2-CE 3.48Å; L745-K749 WeakPolarHBondContact O-CG 3.47Å; L745-K749 PolarHBondContact O-N 2.69Å; E746-K749 PolarHBondContact O-N 3.26Å; K749-L751 VanDerWaalsContact C-N 3.27Å; K749-L751 PolarHBondContact O-N 3.12Å; K749-N752 WeakPolarHBondContact O-CB 3.14Å; K749-N752 PolarHBondContact O-N 3.32Å; K749-D753 WeakPolarHBondContact O-CB 3.45Å; K749-D753 PolarHBondContact O-N 3.11Å; K749-L765 HydrophobicContact CG-CD2 4.39Å
750	R	94	Very high	93.1	Very high	106 Å²	106	55 Å²	55	40%	0.4	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-33.5	-179.5	-173	173	179.3	159.4	-0	113.4	E746 F747 A754 C821 H852	E746-R750 WeakPolarHBondContact O-CB 3.5Å; E746-R750 PolarHBondContact O-N 2.97Å; F747-R750 PolarHBondContact O-N 3.24Å; R750-A754 VanDerWaalsContact O-CB 3.31Å; R750-A754 WeakPolarHBondContact O-CB 3.38Å; R750-A754 PolarHBondContact O-N 3.21Å; R750-C821 HydrophobicContact CG-CB 4.5Å; R750-C821 PolarHBondContact NE-O 3.29Å; R750-C821 PolarHBondContact NH2-O 2.82Å; R750-H852 PolarHBondContact NH1-CE1 3.44Å; R750-H852 PolarHBondContact NH1-NE2 2.78Å
751	L	94.4	Very high	93.3	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-72.3	-44	173.6	-71.2	168.3	0	0	0	111.7	F747 L748 K749 A754 D755 L817 L818 C821 I823 F847	F747-L751 WeakPolarHBondContact O-CB 3.49Å; F747-L751 WeakPolarHBondContact O-CG 3.47Å; F747-L751 PolarHBondContact O-N 3.38Å; L748-L751 PolarHBondContact O-N 3.13Å; K749-L751 VanDerWaalsContact C-N 3.27Å; K749-L751 PolarHBondContact O-N 3.12Å; L751-A754 PolarHBondContact O-N 2.94Å; L751-D755 PolarHBondContact O-N 3.01Å; L751-D755 VanDerWaalsContact O-N 3.16Å; L751-L817 HydrophobicContact CB-CD2 4.13Å; L751-L817 HydrophobicContact CD2-CD2 3.69Å; L751-L817 HydrophobicContact CD2-CG 3.64Å; L751-L818 HydrophobicContact CD1-CD2 4.11Å; L751-L818 HydrophobicContact CD2-CD2 3.93Å; L751-C821 HydrophobicContact CD2-CB 4.17Å; L751-I823 HydrophobicContact CD1-CD1 4.34Å; L751-I823 HydrophobicContact CD2-CD1 3.99Å; L751-I823 HydrophobicContact CG-CD1 3.9Å; L751-F847 HydrophobicContact CD1-CD1 4.06Å; L751-F847 HydrophobicContact CD1-CE1 3.57Å; L751-F847 HydrophobicContact CD1-CE2 4.13Å; L751-F847 HydrophobicContact CD1-CZ 3.6Å
752	N	94.2	Very high	93.5	Very high	25 Å²	25	54.3 Å²	54.3	13%	0.134	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-46.5	176.4	-80.2	-6.2	0	0	0	112.1	L748 K749 A754 D755 R764 L765	L748-N752 WeakPolarHBondContact O-CB 3.11Å; L748-N752 VanDerWaalsContact O-CG 3.28Å; L748-N752 PolarHBondContact O-N 3.16Å; K749-N752 WeakPolarHBondContact O-CB 3.14Å; K749-N752 PolarHBondContact O-N 3.32Å; N752-A754 VanDerWaalsContact C-N 3.3Å; N752-A754 PolarHBondContact O-N 3.38Å; N752-D755 CarbonylContact O-C 3.57Å; N752-D755 PolarHBondContact O-N 3.37Å; N752-D755 VanDerWaalsContact O-N 3.13Å; N752-R764 PolarHBondContact OD1-NH1 3.42Å; N752-L765 PolarHBondContact ND2-O 2.69Å
753	D	93.7	Very high	93.5	Very high	129 Å²	129	51.1 Å²	51.1	69%	0.69	25%	0.254	S	S	*	.	H	α-helix	trans	-65.6	-34.3	-178.6	-62.3	-25.8	0	0	0	111.5	K749 D755	K749-D753 WeakPolarHBondContact O-CB 3.45Å; K749-D753 PolarHBondContact O-N 3.11Å; D753-D755 VanDerWaalsContact C-N 3.34Å
754	A	93.6	Very high	93.7	Very high	31 Å²	31	48.1 Å²	48.1	26%	0.256	24%	0.24	S	C	.	.	H	α-helix	trans	-75.4	-20.3	175.1	0	0	0	0	0	113.6	R750 L751 N752 L817 R820 C821	R750-A754 VanDerWaalsContact O-CB 3.31Å; R750-A754 WeakPolarHBondContact O-CB 3.38Å; R750-A754 PolarHBondContact O-N 3.21Å; L751-A754 PolarHBondContact O-N 2.94Å; N752-A754 VanDerWaalsContact C-N 3.3Å; N752-A754 PolarHBondContact O-N 3.38Å; A754-L817 HydrophobicContact CB-CD1 3.92Å; A754-R820 PolarHBondContact O-NH1 3.31Å; A754-R820 PolarHBondContact O-NH2 3Å; A754-C821 VanDerWaalsContact CB-SG 3.5Å
755	D	94	Very high	93.8	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.016	24%	0.243	C	C	.	.			trans	-130.5	72.1	179.9	-177.1	28.6	0	0	0	111.4	L751 N752 D753 D757 D758 K759 F760 R764 L817	L751-D755 PolarHBondContact O-N 3.01Å; L751-D755 VanDerWaalsContact O-N 3.16Å; N752-D755 CarbonylContact O-C 3.57Å; N752-D755 PolarHBondContact O-N 3.37Å; N752-D755 VanDerWaalsContact O-N 3.13Å; D753-D755 VanDerWaalsContact C-N 3.34Å; D755-D757 PolarHBondContact O-N 2.93Å; D755-D758 PolarHBondContact O-N 3.1Å; D755-D758 PolarHBondContact OD1-N 2.87Å; D755-D758 VanDerWaalsContact OD2-CA 3.31Å; D755-D758 WeakPolarHBondContact OD2-CA 3.29Å; D755-K759 PolarHBondContact OD1-N 3.11Å; D755-K759 PolarHBondContact OD2-N 2.79Å; D755-F760 HydrophobicContact CB-CD2 3.91Å; D755-F760 VanDerWaalsContact CG-CD2 3.5Å; D755-F760 WeakPolarHBondContact OD1-CD2 3.44Å; D755-F760 PolarHBondContact OD2-N 2.8Å; D755-R764 PolarHBondContact O-NH1 3.02Å; D755-R764 PolarHBondContact O-NH2 2.77Å; D755-R764 IonicContact OD2-NH2 2.67Å; D755-R764 PolarHBondContact OD2-NH2 3.07Å; D755-L817 HydrophobicContact CB-CD1 4.07Å; D755-L817 HydrophobicContact CB-CD2 4.03Å
756	P	91	Very high	93.7	Very high	104 Å²	104	52.7 Å²	52.7	68%	0.675	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-24.8	179.7	27.1	-35.5	0	0	0	113.2
757	D	91.7	Very high	93.7	Very high	107 Å²	107	51.2 Å²	51.2	57%	0.572	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-1.4	-177.8	-64.2	-42.1	0	0	0	114.1	D755 K759	D755-D757 PolarHBondContact O-N 2.93Å; D757-K759 VanDerWaalsContact C-N 3.29Å; D757-K759 HydrophobicContact CB-CD 3.63Å; D757-K759 VanDerWaalsContact CB-CE 3.48Å; D757-K759 HydrophobicContact CB-CG 3.81Å; D757-K759 VanDerWaalsContact CG-NZ 3.3Å; D757-K759 PolarHBondContact O-N 3.28Å; D757-K759 WeakPolarHBondContact OD2-CE 3.45Å; D757-K759 IonicContact OD2-NZ 2.67Å; D757-K759 PolarHBondContact OD2-NZ 3.44Å
758	D	92.9	Very high	93.7	Very high	53 Å²	53	54.3 Å²	54.3	28%	0.283	26%	0.264	S	S	.	.			trans	55.7	35.7	-176.7	-163.2	39	0	0	0	115.4	D755 R764 K843	D755-D758 PolarHBondContact O-N 3.1Å; D755-D758 PolarHBondContact OD1-N 2.87Å; D755-D758 VanDerWaalsContact OD2-CA 3.31Å; D755-D758 WeakPolarHBondContact OD2-CA 3.29Å; D758-R764 VanDerWaalsContact CG-NE 3.33Å; D758-R764 IonicContact OD1-CZ 2.68Å; D758-R764 IonicContact OD1-NE 2.65Å; D758-R764 PolarHBondContact OD1-NE 3.09Å; D758-R764 IonicContact OD1-NH2 3.6Å; D758-R764 PolarHBondContact OD1-NH2 3.09Å; D758-R764 VanDerWaalsContact OD1-NH2 3.1Å; D758-K843 IonicContact OD1-NZ 3.24Å; D758-K843 PolarHBondContact OD1-NZ 3.25Å; D758-K843 WeakPolarHBondContact OD2-CE 3.38Å; D758-K843 IonicContact OD2-NZ 3.27Å; D758-K843 PolarHBondContact OD2-NZ 2.66Å
759	K	92.8	Very high	93.8	Very high	124 Å²	124	54.8 Å²	54.8	54%	0.539	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-13.2	-176.7	-72.4	167.6	-179.5	157.1	0	113.8	D755 D757	D755-K759 PolarHBondContact OD1-N 3.11Å; D755-K759 PolarHBondContact OD2-N 2.79Å; D757-K759 VanDerWaalsContact C-N 3.29Å; D757-K759 HydrophobicContact CB-CD 3.63Å; D757-K759 VanDerWaalsContact CB-CE 3.48Å; D757-K759 HydrophobicContact CB-CG 3.81Å; D757-K759 VanDerWaalsContact CG-NZ 3.3Å; D757-K759 PolarHBondContact O-N 3.28Å; D757-K759 WeakPolarHBondContact OD2-CE 3.45Å; D757-K759 IonicContact OD2-NZ 2.67Å; D757-K759 PolarHBondContact OD2-NZ 3.44Å
760	F	92.9	Very high	93.7	Very high	37 Å²	37	56.1 Å²	56.1	16%	0.162	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	13	-172.2	-65	-77.5	0	0	0	115.1	D755 C762 L813 A814 K816 L817	D755-F760 HydrophobicContact CB-CD2 3.91Å; D755-F760 VanDerWaalsContact CG-CD2 3.5Å; D755-F760 WeakPolarHBondContact OD1-CD2 3.44Å; D755-F760 PolarHBondContact OD2-N 2.8Å; F760-C762 VanDerWaalsContact C-N 3.32Å; F760-C762 PolarHBondContact O-N 3.01Å; F760-L813 HydrophobicContact CD1-CB 4.22Å; F760-L813 HydrophobicContact CD1-CD2 4.24Å; F760-L813 WeakPolarHBondContact CD1-O 3.33Å; F760-L813 HydrophobicContact CE1-CD2 4.35Å; F760-L813 CarbonylContact O-C 3.58Å; F760-A814 WeakPolarHBondContact O-CA 3.49Å; F760-A814 WeakPolarHBondContact O-CB 3.38Å; F760-A814 PolarHBondContact O-N 3.01Å; F760-A814 VanDerWaalsContact O-N 3.16Å; F760-K816 HydrophobicContact CD1-CB 4.5Å; F760-K816 HydrophobicContact CE1-CB 4.46Å; F760-K816 HydrophobicContact CE1-CD 4.14Å; F760-K816 HydrophobicContact CE1-CG 4.21Å; F760-L817 HydrophobicContact CB-CB 3.63Å; F760-L817 HydrophobicContact CB-CD1 4.5Å; F760-L817 HydrophobicContact CB-CD2 3.92Å; F760-L817 HydrophobicContact CB-CG 4.22Å; F760-L817 HydrophobicContact CD1-CB 4.36Å; F760-L817 HydrophobicContact CD2-CB 4.49Å; F760-L817 HydrophobicContact CD2-CD1 4.15Å; F760-L817 HydrophobicContact CG-CB 3.94Å; F760-L817 HydrophobicContact CG-CD1 4.43Å
761	H	94.4	Very high	93.6	Very high	30 Å²	30	52.5 Å²	52.5	14%	0.139	26%	0.258	C	S	.	.			trans	60.3	31.5	165.8	-61	-88.3	0	0	0	116.1	Q810 L842 K843 L844	H761-Q810 HydrophobicContact CB-CB 4.35Å; H761-Q810 VanDerWaalsContact CE1-CG 3.45Å; H761-Q810 WeakPolarHBondContact CE1-CG 3.19Å; H761-Q810 PolarHBondContact CE1-OE1 2.95Å; H761-Q810 PolarHBondContact ND1-OE1 2.92Å; H761-Q810 VanDerWaalsContact ND1-OE1 3.1Å; H761-L842 HydrophobicContact CB-CD1 4.35Å; H761-L842 PolarHBondContact ND1-O 2.85Å; H761-L842 VanDerWaalsContact ND1-O 3.12Å; H761-K843 CarbonylContact O-C 3.5Å; H761-K843 WeakPolarHBondContact O-CA 3.27Å; H761-L844 PolarHBondContact O-N 3.42Å
762	C	94.9	Very high	93.3	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.007	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-97	151.2	165.7	-70.1	0	0	0	0	110.8	F760 R764 L817 K843 F847	F760-C762 VanDerWaalsContact C-N 3.32Å; F760-C762 PolarHBondContact O-N 3.01Å; C762-R764 PolarHBondContact O-N 3.11Å; C762-L817 HydrophobicContact CB-CD2 4.1Å; C762-K843 PolarHBondContact O-NZ 3.04Å; C762-F847 HydrophobicContact CB-CZ 4.38Å
763	L	94.6	Very high	93.1	Very high	10 Å²	10	60.8 Å²	60.8	5%	0.052	30%	0.295	C	S	.	.			trans	-61.7	126.2	-177.3	-178.2	69	0	0	0	112.6	L748 L765 F779 E780 L782 L844 C845	L748-L763 WeakPolarHBondContact CD2-O 3.48Å; L763-L765 PolarHBondContact O-N 2.88Å; L763-F779 HydrophobicContact CD1-CB 4.43Å; L763-F779 HydrophobicContact CD1-CD1 4.43Å; L763-F779 HydrophobicContact CD2-CB 4.34Å; L763-F779 HydrophobicContact CD2-CD1 3.34Å; L763-F779 HydrophobicContact CD2-CD2 4.34Å; L763-F779 HydrophobicContact CD2-CE1 3.5Å; L763-F779 VanDerWaalsContact CD2-CE1 3.5Å; L763-F779 HydrophobicContact CD2-CE2 4.46Å; L763-F779 HydrophobicContact CD2-CG 3.78Å; L763-F779 HydrophobicContact CD2-CZ 4.08Å; L763-F779 HydrophobicContact CG-CB 4.46Å; L763-F779 HydrophobicContact CG-CD1 3.61Å; L763-F779 HydrophobicContact CG-CE1 4.06Å; L763-F779 HydrophobicContact CG-CG 4.24Å; L763-E780 HydrophobicContact CD1-CG 3.73Å; L763-L782 HydrophobicContact CD1-CD1 3.54Å; L763-L844 WeakPolarHBondContact CB-O 3.36Å; L763-L844 PolarHBondContact N-O 2.85Å; L763-C845 HydrophobicContact CB-CB 4.15Å; L763-C845 HydrophobicContact CD2-CB 3.76Å; L763-C845 HydrophobicContact CG-CB 4.44Å
764	R	93.9	Very high	93	Very high	31 Å²	31	54.7 Å²	54.7	12%	0.117	26%	0.262	C	S	.	.			trans	-74.6	104	175.4	-67.5	-71.4	135.3	-176.8	-3.2	111.6	N752 D755 D758 C762 F766 F779 E780	N752-R764 PolarHBondContact OD1-NH1 3.42Å; D755-R764 PolarHBondContact O-NH1 3.02Å; D755-R764 PolarHBondContact O-NH2 2.77Å; D755-R764 IonicContact OD2-NH2 2.67Å; D755-R764 PolarHBondContact OD2-NH2 3.07Å; D758-R764 VanDerWaalsContact CG-NE 3.33Å; D758-R764 IonicContact OD1-CZ 2.68Å; D758-R764 IonicContact OD1-NE 2.65Å; D758-R764 PolarHBondContact OD1-NE 3.09Å; D758-R764 IonicContact OD1-NH2 3.6Å; D758-R764 PolarHBondContact OD1-NH2 3.09Å; D758-R764 VanDerWaalsContact OD1-NH2 3.1Å; C762-R764 PolarHBondContact O-N 3.11Å; R764-F766 HydrophobicContact CB-CD1 4.46Å; R764-F766 HydrophobicContact CB-CE1 4.18Å; R764-F779 WeakPolarHBondContact O-CA 3.39Å; R764-E780 HydrophobicContact CB-CB 4.1Å; R764-E780 HydrophobicContact CB-CG 3.94Å; R764-E780 WeakPolarHBondContact CB-OE1 3.45Å; R764-E780 WeakPolarHBondContact CG-OE1 3.49Å; R764-E780 PolarHBondContact N-OE1 3.29Å; R764-E780 PolarHBondContact O-N 2.95Å
765	L	95.2	Very high	93	Very high	12 Å²	12	53.2 Å²	53.2	6%	0.063	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	124.9	157.3	-177.7	74.1	0	0	0	109	L748 K749 N752 L763 R767 L777 F779	L748-L765 HydrophobicContact CB-CB 3.96Å; L748-L765 HydrophobicContact CB-CD2 3.88Å; L748-L765 HydrophobicContact CD1-CB 4.33Å; L748-L765 HydrophobicContact CD1-CD1 4.42Å; L748-L765 HydrophobicContact CD1-CD2 4.44Å; L748-L765 HydrophobicContact CD2-CB 4.43Å; L748-L765 HydrophobicContact CG-CB 4.5Å; K749-L765 HydrophobicContact CG-CD2 4.39Å; N752-L765 PolarHBondContact ND2-O 2.69Å; L763-L765 PolarHBondContact O-N 2.88Å; L765-R767 WeakPolarHBondContact CD1-O 3.42Å; L765-L777 HydrophobicContact CD1-CB 3.82Å; L765-L777 HydrophobicContact CD1-CD2 4.3Å; L765-F779 HydrophobicContact CB-CD1 4.16Å; L765-F779 HydrophobicContact CB-CE1 3.96Å; L765-F779 HydrophobicContact CD1-CD1 4.06Å; L765-F779 HydrophobicContact CD1-CE1 3.67Å; L765-F779 HydrophobicContact CD1-CZ 3.98Å; L765-F779 HydrophobicContact CG-CE1 4.44Å
766	F	93.4	Very high	93.1	Very high	101 Å²	101	53.1 Å²	53.1	44%	0.443	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-46.4	173.5	-67.7	-24.5	0	0	0	112.2	V726 R764 V778 E780	V726-F766 HydrophobicContact CG1-CD2 4.11Å; V726-F766 HydrophobicContact CG1-CE2 4.1Å; R764-F766 HydrophobicContact CB-CD1 4.46Å; R764-F766 HydrophobicContact CB-CE1 4.18Å; F766-V778 HydrophobicContact CB-CG1 4.4Å; F766-V778 HydrophobicContact CD2-CG1 4.34Å; F766-V778 PolarHBondContact N-O 3.23Å; F766-E780 HydrophobicContact CE1-CB 4.21Å; F766-E780 HydrophobicContact CE2-CB 4.44Å; F766-E780 HydrophobicContact CZ-CB 3.81Å
767	R	93.3	Very high	93.3	Very high	74 Å²	74	48.1 Å²	48.1	28%	0.279	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	177.1	175.9	56.7	179.8	-78.1	-121.2	3.2	111.2	D696 Y699 L765 V778	D696-R767 IonicContact OD1-NH2 3.59Å; D696-R767 IonicContact OD2-CZ 3.11Å; D696-R767 IonicContact OD2-NH1 2.67Å; D696-R767 PolarHBondContact OD2-NH1 2.84Å; D696-R767 IonicContact OD2-NH2 2.7Å; D696-R767 PolarHBondContact OD2-NH2 3.47Å; Y699-R767 VanDerWaalsContact CE2-NH1 3.33Å; Y699-R767 WeakPolarHBondContact OH-CD 3.29Å; Y699-R767 PolarHBondContact OH-NH1 3.36Å; L765-R767 WeakPolarHBondContact CD1-O 3.42Å; R767-V778 HydrophobicContact CG-CB 4.14Å; R767-V778 HydrophobicContact CG-CG2 4.12Å; R767-V778 PolarHBondContact O-N 3.2Å
768	H	95.1	Very high	93.4	Very high	70 Å²	70	43 Å²	43	32%	0.324	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	161.4	170.1	66.3	-65.6	0	0	0	109.6	L745 L775 C776 L777	L745-H768 HydrophobicContact CD1-CB 3.73Å; L745-H768 VanDerWaalsContact CD1-CG 3.42Å; H768-L775 HydrophobicContact CB-CD1 4.36Å; H768-C776 CarbonylContact C-O 3.55Å; H768-C776 WeakPolarHBondContact CA-O 3.36Å; H768-L777 HydrophobicContact CB-CD2 3.73Å
769	F	94.9	Very high	93.5	Very high	11 Å²	11	41 Å²	41	5%	0.048	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	172.9	168.9	61.4	-91.4	0	0	0	109.3	L695 D696 Y699 V728 H771 C776 V778	L695-F769 HydrophobicContact CB-CE2 4.01Å; L695-F769 HydrophobicContact CB-CZ 3.85Å; L695-F769 HydrophobicContact CD1-CZ 4.43Å; D696-F769 HydrophobicContact CB-CD1 4.13Å; D696-F769 HydrophobicContact CB-CD2 3.77Å; D696-F769 HydrophobicContact CB-CE1 4.18Å; D696-F769 HydrophobicContact CB-CE2 3.85Å; D696-F769 HydrophobicContact CB-CG 3.93Å; D696-F769 HydrophobicContact CB-CZ 4.05Å; Y699-F769 HydrophobicContact CD2-CD1 4.37Å; Y699-F769 AromaticContact CD2-CE1 3.55Å; Y699-F769 HydrophobicContact CD2-CE1 3.55Å; Y699-F769 AromaticContact CD2-CZ 3.92Å; Y699-F769 HydrophobicContact CD2-CZ 3.92Å; Y699-F769 AromaticContact CE2-CD1 3.99Å; Y699-F769 HydrophobicContact CE2-CD1 3.99Å; Y699-F769 AromaticContact CE2-CE1 3.54Å; Y699-F769 HydrophobicContact CE2-CE1 3.54Å; Y699-F769 HydrophobicContact CE2-CZ 4.35Å; V728-F769 HydrophobicContact CG1-CE1 4.41Å; V728-F769 HydrophobicContact CG1-CZ 4.17Å; F769-H771 HydrophobicContact CD2-CB 4.27Å; F769-H771 HydrophobicContact CE2-CB 3.96Å; F769-C776 HydrophobicContact CD1-CB 4.1Å; F769-C776 HydrophobicContact CD2-CB 3.7Å; F769-C776 HydrophobicContact CE1-CB 3.85Å; F769-C776 HydrophobicContact CE2-CB 3.4Å; F769-C776 VanDerWaalsContact CE2-CB 3.4Å; F769-C776 HydrophobicContact CG-CB 4.03Å; F769-C776 HydrophobicContact CZ-CB 3.49Å; F769-C776 VanDerWaalsContact CZ-CB 3.49Å; F769-C776 PolarHBondContact N-O 3.09Å; F769-C776 WeakPolarHBondContact O-CB 3.48Å; F769-C776 PolarHBondContact O-N 3.12Å; F769-V778 HydrophobicContact CD1-CG2 3.86Å; F769-V778 HydrophobicContact CE1-CG2 3.48Å; F769-V778 VanDerWaalsContact CE1-CG2 3.48Å
770	Y	93.6	Very high	93.6	Very high	119 Å²	119	36.4 Å²	36.4	47%	0.467	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137	171.7	-75.2	-92.6	0	0	0	110	H774 L775	Y770-H774 WeakPolarHBondContact CA-O 3.31Å; Y770-L775 HydrophobicContact CD1-CB 4.4Å; Y770-L775 HydrophobicContact CE1-CB 3.98Å; Y770-L775 HydrophobicContact CE1-CD1 4.15Å; Y770-L775 HydrophobicContact CE2-CD1 4.11Å
771	H	90.7	Very high	93.6	Very high	30 Å²	30	37.5 Å²	37.5	14%	0.139	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	119.6	174.7	-173.5	79.1	0	0	0	109	Y687 E693 L695 F769 Q773 H774	Y687-H771 AromaticContact CZ-CD2 3.72Å; Y687-H771 AromaticContact CZ-NE2 3.85Å; Y687-H771 PolarHBondContact OH-NE2 3.17Å; E693-H771 IonicContact OE1-CE1 2.77Å; E693-H771 IonicContact OE1-NE2 3.02Å; E693-H771 PolarHBondContact OE1-NE2 3.32Å; L695-H771 VanDerWaalsContact CD2-NE2 3.31Å; L695-H771 WeakPolarHBondContact CD2-NE2 3.45Å; F769-H771 HydrophobicContact CD2-CB 4.27Å; F769-H771 HydrophobicContact CE2-CB 3.96Å; H771-Q773 VanDerWaalsContact C-N 3.31Å; H771-Q773 PolarHBondContact O-N 3.39Å; H771-H774 PolarHBondContact N-O 3.26Å; H771-H774 WeakPolarHBondContact O-CB 3.45Å; H771-H774 PolarHBondContact O-N 2.94Å
772	K	88.8	Confident	93.5	Very high	62 Å²	62	37.4 Å²	37.4	27%	0.27	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	50.4	178	-60.4	167	-177.8	171.4	0	112.4	W680 Y687 E693 H774	W680-K772 HydrophobicContact CB-CD 4.08Å; W680-K772 HydrophobicContact CD2-CD 3.83Å; W680-K772 HydrophobicContact CE3-CD 4.25Å; W680-K772 HydrophobicContact CG-CD 3.72Å; Y687-K772 HydrophobicContact CE2-CB 4.3Å; Y687-K772 HydrophobicContact CE2-CD 3.55Å; Y687-K772 PolarHBondContact OH-NZ 3.41Å; E693-K772 IonicContact OE1-NZ 3.1Å; E693-K772 PolarHBondContact OE1-NZ 2.89Å; K772-H774 PolarHBondContact O-CD2 3.35Å; K772-H774 PolarHBondContact O-N 3.26Å; K772-H774 VanDerWaalsContact O-N 3.15Å
773	Q	89.6	Confident	93.3	Very high	138 Å²	138	38.7 Å²	38.7	65%	0.645	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.4	-7.1	-174.8	-54.7	177.4	-4.3	0	0	116.9	N733 Q738 H771	N733-Q773 PolarHBondContact ND2-OE1 3.35Å; Q738-Q773 PolarHBondContact NE2-O 3.47Å; H771-Q773 VanDerWaalsContact C-N 3.31Å; H771-Q773 PolarHBondContact O-N 3.39Å
774	H	92.2	Very high	93.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	134.2	174.1	-61.6	-92.2	0	0	0	112.1	T681 G685 Y687 I730 I731 N733 Y770 H771 K772 C776	T681-H774 PolarHBondContact OG1-NE2 2.87Å; G685-H774 PolarHBondContact O-CE1 2.9Å; Y687-H774 AromaticContact CD2-CD2 3.52Å; Y687-H774 AromaticContact CD2-NE2 3.59Å; Y687-H774 AromaticContact CG-CD2 3.89Å; Y687-H774 AromaticContact CG-NE2 3.99Å; I730-H774 HydrophobicContact CG2-CB 3.54Å; I731-H774 PolarHBondContact O-ND1 3.24Å; N733-H774 VanDerWaalsContact CB-CE1 3.45Å; N733-H774 WeakPolarHBondContact CB-CE1 3.48Å; N733-H774 PolarHBondContact N-CE1 2.88Å; N733-H774 PolarHBondContact N-ND1 3.02Å; Y770-H774 WeakPolarHBondContact CA-O 3.31Å; H771-H774 PolarHBondContact N-O 3.26Å; H771-H774 WeakPolarHBondContact O-CB 3.45Å; H771-H774 PolarHBondContact O-N 2.94Å; K772-H774 PolarHBondContact O-CD2 3.35Å; K772-H774 PolarHBondContact O-N 3.26Å; K772-H774 VanDerWaalsContact O-N 3.15Å; H774-C776 PolarHBondContact O-N 3.02Å
775	L	94	Very high	93	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	124.1	166.6	176	61.5	0	0	0	109.3	I731 L742 L745 H768 Y770 L777	I731-L775 HydrophobicContact CB-CB 4.27Å; I731-L775 HydrophobicContact CG1-CB 4.21Å; I731-L775 HydrophobicContact CG1-CD2 4.42Å; I731-L775 HydrophobicContact CG1-CG 4.33Å; I731-L775 WeakPolarHBondContact CG1-O 3.46Å; I731-L775 PolarHBondContact N-O 3.46Å; L742-L775 HydrophobicContact CD2-CD2 4.23Å; L742-L775 HydrophobicContact CG-CD2 4.32Å; L745-L775 HydrophobicContact CD1-CD1 4.37Å; H768-L775 HydrophobicContact CB-CD1 4.36Å; Y770-L775 HydrophobicContact CD1-CB 4.4Å; Y770-L775 HydrophobicContact CE1-CB 3.98Å; Y770-L775 HydrophobicContact CE1-CD1 4.15Å; Y770-L775 HydrophobicContact CE2-CD1 4.11Å; L775-L777 HydrophobicContact CD1-CD2 4.17Å; L775-L777 HydrophobicContact CD2-CD2 4.35Å; L775-L777 HydrophobicContact CG-CD2 4.12Å
776	C	94.9	Very high	92.9	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.3	179.7	-61.7	0	0	0	0	110.1	V728 K729 H768 F769 H774	V728-C776 HydrophobicContact CG1-CB 4.16Å; K729-C776 CarbonylContact O-C 3.55Å; K729-C776 WeakPolarHBondContact O-CA 3.08Å; H768-C776 CarbonylContact C-O 3.55Å; H768-C776 WeakPolarHBondContact CA-O 3.36Å; F769-C776 HydrophobicContact CD1-CB 4.1Å; F769-C776 HydrophobicContact CD2-CB 3.7Å; F769-C776 HydrophobicContact CE1-CB 3.85Å; F769-C776 HydrophobicContact CE2-CB 3.4Å; F769-C776 VanDerWaalsContact CE2-CB 3.4Å; F769-C776 HydrophobicContact CG-CB 4.03Å; F769-C776 HydrophobicContact CZ-CB 3.49Å; F769-C776 VanDerWaalsContact CZ-CB 3.49Å; F769-C776 PolarHBondContact N-O 3.09Å; F769-C776 WeakPolarHBondContact O-CB 3.48Å; F769-C776 PolarHBondContact O-N 3.12Å; H774-C776 PolarHBondContact O-N 3.02Å
777	L	94.9	Very high	92.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.7	176.8	-55	-177.2	0	0	0	109.6	V728 K729 E744 L745 L748 L765 H768 L775 F779	V728-L777 CarbonylContact C-O 3.49Å; V728-L777 WeakPolarHBondContact CA-O 3.31Å; K729-L777 HydrophobicContact CB-CB 4.35Å; K729-L777 PolarHBondContact N-O 3.05Å; K729-L777 PolarHBondContact O-N 2.96Å; E744-L777 HydrophobicContact CG-CD1 4.04Å; L745-L777 HydrophobicContact CB-CD2 4.1Å; L745-L777 HydrophobicContact CD1-CD2 3.98Å; L745-L777 HydrophobicContact CG-CD2 4.39Å; L748-L777 HydrophobicContact CD1-CD1 4.49Å; L765-L777 HydrophobicContact CD1-CB 3.82Å; L765-L777 HydrophobicContact CD1-CD2 4.3Å; H768-L777 HydrophobicContact CB-CD2 3.73Å; L775-L777 HydrophobicContact CD1-CD2 4.17Å; L775-L777 HydrophobicContact CD2-CD2 4.35Å; L775-L777 HydrophobicContact CG-CD2 4.12Å; L777-F779 HydrophobicContact CB-CD2 4.33Å; L777-F779 HydrophobicContact CB-CE2 3.53Å; L777-F779 HydrophobicContact CB-CZ 3.77Å; L777-F779 HydrophobicContact CD1-CE2 4.37Å; L777-F779 HydrophobicContact CD1-CZ 4.02Å
778	V	95.1	Very high	92.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.3	-178.7	-172.9	0	0	0	0	109.5	Y699 V726 V728 F766 R767 F769	Y699-V778 HydrophobicContact CE1-CG1 4.08Å; Y699-V778 HydrophobicContact CE2-CG2 3.94Å; V726-V778 HydrophobicContact CB-CG1 3.9Å; V726-V778 HydrophobicContact CG1-CG1 4.06Å; V726-V778 HydrophobicContact CG2-CG1 4.17Å; V728-V778 HydrophobicContact CG2-CG2 4.43Å; F766-V778 HydrophobicContact CB-CG1 4.4Å; F766-V778 HydrophobicContact CD2-CG1 4.34Å; F766-V778 PolarHBondContact N-O 3.23Å; R767-V778 HydrophobicContact CG-CB 4.14Å; R767-V778 HydrophobicContact CG-CG2 4.12Å; R767-V778 PolarHBondContact O-N 3.2Å; F769-V778 HydrophobicContact CD1-CG2 3.86Å; F769-V778 HydrophobicContact CE1-CG2 3.48Å; F769-V778 VanDerWaalsContact CE1-CG2 3.48Å
779	F	95.1	Very high	92.5	Very high	9 Å²	9	32.5 Å²	32.5	4%	0.039	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	161.9	-172.9	-65.5	-73	0	0	0	112.8	A727 K729 L748 L763 R764 L765 L777	A727-F779 HydrophobicContact CB-CB 4.28Å; A727-F779 PolarHBondContact N-O 2.91Å; A727-F779 VanDerWaalsContact N-O 3.11Å; A727-F779 PolarHBondContact O-N 3.29Å; K729-F779 HydrophobicContact CB-CD2 4.22Å; K729-F779 HydrophobicContact CB-CE2 3.7Å; K729-F779 HydrophobicContact CD-CE2 4.14Å; L748-F779 HydrophobicContact CD1-CE1 3.51Å; L748-F779 HydrophobicContact CD1-CZ 3.65Å; L748-F779 HydrophobicContact CD2-CE1 4.08Å; L748-F779 HydrophobicContact CG-CE1 4.44Å; L763-F779 HydrophobicContact CD1-CB 4.43Å; L763-F779 HydrophobicContact CD1-CD1 4.43Å; L763-F779 HydrophobicContact CD2-CB 4.34Å; L763-F779 HydrophobicContact CD2-CD1 3.34Å; L763-F779 HydrophobicContact CD2-CD2 4.34Å; L763-F779 HydrophobicContact CD2-CE1 3.5Å; L763-F779 VanDerWaalsContact CD2-CE1 3.5Å; L763-F779 HydrophobicContact CD2-CE2 4.46Å; L763-F779 HydrophobicContact CD2-CG 3.78Å; L763-F779 HydrophobicContact CD2-CZ 4.08Å; L763-F779 HydrophobicContact CG-CB 4.46Å; L763-F779 HydrophobicContact CG-CD1 3.61Å; L763-F779 HydrophobicContact CG-CE1 4.06Å; L763-F779 HydrophobicContact CG-CG 4.24Å; R764-F779 WeakPolarHBondContact O-CA 3.39Å; L765-F779 HydrophobicContact CB-CD1 4.16Å; L765-F779 HydrophobicContact CB-CE1 3.96Å; L765-F779 HydrophobicContact CD1-CD1 4.06Å; L765-F779 HydrophobicContact CD1-CE1 3.67Å; L765-F779 HydrophobicContact CD1-CZ 3.98Å; L765-F779 HydrophobicContact CG-CE1 4.44Å; L777-F779 HydrophobicContact CB-CD2 4.33Å; L777-F779 HydrophobicContact CB-CE2 3.53Å; L777-F779 HydrophobicContact CB-CZ 3.77Å; L777-F779 HydrophobicContact CD1-CE2 4.37Å; L777-F779 HydrophobicContact CD1-CZ 4.02Å
780	E	94.1	Very high	92.3	Very high	28 Å²	28	32.5 Å²	32.5	13%	0.131	16%	0.156	C	C	.	.			trans	-53.8	142.4	165.4	63	-179.8	136.9	0	0	112	L763 R764 F766 L782 K843	L763-E780 HydrophobicContact CD1-CG 3.73Å; R764-E780 HydrophobicContact CB-CB 4.1Å; R764-E780 HydrophobicContact CB-CG 3.94Å; R764-E780 WeakPolarHBondContact CB-OE1 3.45Å; R764-E780 WeakPolarHBondContact CG-OE1 3.49Å; R764-E780 PolarHBondContact N-OE1 3.29Å; R764-E780 PolarHBondContact O-N 2.95Å; F766-E780 HydrophobicContact CE1-CB 4.21Å; F766-E780 HydrophobicContact CE2-CB 4.44Å; F766-E780 HydrophobicContact CZ-CB 3.81Å; E780-L782 HydrophobicContact CG-CD1 4.31Å; E780-L782 HydrophobicContact CG-CG 4.19Å; E780-L782 PolarHBondContact O-N 3.02Å; E780-K843 IonicContact OE1-NZ 3.57Å; E780-K843 PolarHBondContact OE1-NZ 3.37Å; E780-K843 IonicContact OE2-NZ 2.74Å; E780-K843 PolarHBondContact OE2-NZ 3.4Å
781	P	92.4	Very high	92.2	Very high	61 Å²	61	34.4 Å²	34.4	40%	0.396	17%	0.166	S	C	.	.			trans	-73.6	122.3	177.5	31.4	-35.7	0	0	0	110.5	D725	D725-P781 HydrophobicContact CB-CB 3.93Å; D725-P781 HydrophobicContact CB-CG 4.19Å; D725-P781 WeakPolarHBondContact O-CD 3.44Å; D725-P781 WeakPolarHBondContact O-CG 3.47Å
782	L	92.8	Very high	92.1	Very high	28 Å²	28	38.9 Å²	38.9	15%	0.147	19%	0.185	C	C	.	.			trans	-123.3	156	174.3	-64.2	173.4	0	0	0	110.7	L763 E780 L834 K843	L763-L782 HydrophobicContact CD1-CD1 3.54Å; E780-L782 HydrophobicContact CG-CD1 4.31Å; E780-L782 HydrophobicContact CG-CG 4.19Å; E780-L782 PolarHBondContact O-N 3.02Å; L782-L834 HydrophobicContact CB-CB 4.02Å; L782-L834 HydrophobicContact CB-CD1 4.29Å; L782-L834 HydrophobicContact CD1-CB 3.55Å; L782-L834 HydrophobicContact CD1-CD1 3.86Å; L782-L834 HydrophobicContact CD1-CG 4.36Å; L782-L834 HydrophobicContact CG-CB 4.4Å; L782-K843 HydrophobicContact CD1-CB 3.73Å; L782-K843 HydrophobicContact CD1-CG 3.84Å; L782-K843 HydrophobicContact CD2-CG 4.27Å
783	S	90.1	Very high	92	Very high	27 Å²	27	41.3 Å²	41.3	19%	0.189	19%	0.194	C	C	.	.			trans	-83.7	-54.8	-163.4	-170.1	0	0	0	0	113.1	R715 V835	R715-S783 PolarHBondContact NH2-O 3.38Å; R715-S783 VanDerWaalsContact NH2-O 3.14Å; S783-V835 WeakPolarHBondContact CB-O 3.4Å; S783-V835 PolarHBondContact N-O 2.76Å
784	M	90.5	Very high	91.8	Very high	26 Å²	26	36.1 Å²	36.1	13%	0.128	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	162.3	-175.4	60.5	-167.3	77	0	0	111.2	E788 V789 K792 L834 V835	M784-E788 HydrophobicContact CB-CB 4.28Å; M784-E788 WeakPolarHBondContact CB-OE2 3.32Å; M784-V789 HydrophobicContact CG-CG2 3.77Å; M784-V789 HydrophobicContact SD-CG2 3.84Å; M784-K792 HydrophobicContact SD-CD 3.96Å; M784-K792 PolarHBondContact SD-NZ 3.43Å; M784-K792 VanDerWaalsContact SD-NZ 3.38Å; M784-L834 WeakPolarHBondContact O-CA 3.36Å; M784-V835 HydrophobicContact CG-CG2 3.91Å; M784-V835 WeakPolarHBondContact O-CG2 3.27Å; M784-V835 PolarHBondContact O-N 3.11Å
785	N	92.9	Very high	91.4	Very high	33 Å²	33	44.9 Å²	44.9	18%	0.176	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	160.5	172.4	53.7	57.5	0	0	0	112.2	R787 E788 V789 D831 I833 L834	N785-R787 PolarHBondContact O-N 2.75Å; N785-R787 WeakPolarHBondContact OD1-CB 3.49Å; N785-R787 PolarHBondContact OD1-N 3.46Å; N785-E788 PolarHBondContact ND2-OE1 3.23Å; N785-E788 PolarHBondContact O-N 3.38Å; N785-E788 WeakPolarHBondContact OD1-CB 3.27Å; N785-E788 VanDerWaalsContact OD1-CG 3.29Å; N785-E788 WeakPolarHBondContact OD1-CG 2.98Å; N785-E788 PolarHBondContact OD1-N 2.79Å; N785-V789 WeakPolarHBondContact O-CG2 3.37Å; N785-V789 PolarHBondContact O-N 3.41Å; N785-V789 VanDerWaalsContact O-N 3.12Å; N785-D831 WeakPolarHBondContact CB-O 3.04Å; N785-I833 CarbonylContact C-O 3.44Å; N785-I833 VanDerWaalsContact CA-O 3.3Å; N785-I833 WeakPolarHBondContact CA-O 3.49Å; N785-L834 HydrophobicContact CB-CD2 4Å
786	L	92.3	Very high	90.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.6	-25.3	178.1	-70.9	-180	0	0	0	112.8	V789 L790 Y807 P830 I833 V835 L894	L786-V789 HydrophobicContact CD2-CG2 4.4Å; L786-V789 PolarHBondContact O-N 3.3Å; L786-L790 WeakPolarHBondContact O-CG 3.38Å; L786-L790 PolarHBondContact O-N 2.76Å; L786-Y807 HydrophobicContact CD1-CD2 4.4Å; L786-Y807 HydrophobicContact CD2-CD2 4.08Å; L786-Y807 HydrophobicContact CD2-CE2 3.52Å; L786-P830 WeakPolarHBondContact CA-O 3.49Å; L786-P830 HydrophobicContact CB-CB 4.06Å; L786-P830 WeakPolarHBondContact CB-O 3.46Å; L786-P830 PolarHBondContact N-O 2.76Å; L786-I833 HydrophobicContact CD1-CB 3.76Å; L786-I833 HydrophobicContact CD1-CD1 4.19Å; L786-I833 HydrophobicContact CD1-CG2 3.4Å; L786-I833 VanDerWaalsContact CD1-CG2 3.4Å; L786-I833 HydrophobicContact CG-CB 4.13Å; L786-I833 HydrophobicContact CG-CG2 3.93Å; L786-I833 PolarHBondContact N-O 2.86Å; L786-V835 HydrophobicContact CD2-CG1 3.47Å; L786-V835 VanDerWaalsContact CD2-CG1 3.47Å; L786-V835 HydrophobicContact CG-CG1 4.18Å; L786-L894 HydrophobicContact CB-CD2 4.01Å; L786-L894 HydrophobicContact CD1-CD1 4.03Å; L786-L894 HydrophobicContact CD1-CD2 3.75Å; L786-L894 HydrophobicContact CD2-CD2 4.3Å; L786-L894 HydrophobicContact CG-CD2 4.25Å
787	R	91.4	Very high	90.5	Very high	44 Å²	44	52 Å²	52	17%	0.166	26%	0.256	C	S	.	.	H	α-helix	trans	-58.3	-49.6	171	177	69.4	60.6	-150.4	-7.2	112	N785 L790 K791 P830 D831 Y867 E893	N785-R787 PolarHBondContact O-N 2.75Å; N785-R787 WeakPolarHBondContact OD1-CB 3.49Å; N785-R787 PolarHBondContact OD1-N 3.46Å; R787-L790 PolarHBondContact O-N 3.29Å; R787-K791 WeakPolarHBondContact O-CG 3.39Å; R787-K791 PolarHBondContact O-N 3.1Å; R787-P830 HydrophobicContact CB-CB 4.39Å; R787-P830 PolarHBondContact N-O 3.28Å; R787-P830 VanDerWaalsContact N-O 3.09Å; R787-D831 HydrophobicContact CB-CB 4.46Å; R787-D831 VanDerWaalsContact CB-OD1 3.27Å; R787-D831 WeakPolarHBondContact CB-OD1 3.39Å; R787-D831 WeakPolarHBondContact CG-OD1 3.34Å; R787-D831 IonicContact CZ-OD1 3.12Å; R787-D831 IonicContact CZ-OD2 2.69Å; R787-D831 IonicContact NE-OD1 3.76Å; R787-D831 PolarHBondContact NE-OD1 3.08Å; R787-D831 IonicContact NE-OD2 2.67Å; R787-D831 PolarHBondContact NE-OD2 3.48Å; R787-D831 IonicContact NH2-OD1 2.7Å; R787-D831 IonicContact NH2-OD2 3.11Å; R787-D831 PolarHBondContact NH2-OD2 3.12Å; R787-Y867 PolarHBondContact NH2-OH 2.81Å; R787-E893 IonicContact CZ-OE1 2.71Å; R787-E893 IonicContact NH1-OE1 3.94Å; R787-E893 PolarHBondContact NH1-OE1 3.14Å; R787-E893 IonicContact NH2-OE1 2.66Å
788	E	91	Very high	90.2	Very high	64 Å²	64	52.2 Å²	52.2	30%	0.299	26%	0.257	S	S	.	.	H	α-helix	trans	-66.5	-37.8	176.4	-79.3	172.4	-125.1	0	0	112.1	M784 N785 K791 K792	M784-E788 HydrophobicContact CB-CB 4.28Å; M784-E788 WeakPolarHBondContact CB-OE2 3.32Å; N785-E788 PolarHBondContact ND2-OE1 3.23Å; N785-E788 PolarHBondContact O-N 3.38Å; N785-E788 WeakPolarHBondContact OD1-CB 3.27Å; N785-E788 VanDerWaalsContact OD1-CG 3.29Å; N785-E788 WeakPolarHBondContact OD1-CG 2.98Å; N785-E788 PolarHBondContact OD1-N 2.79Å; E788-K791 PolarHBondContact O-N 3.19Å; E788-K792 WeakPolarHBondContact O-CB 3.41Å; E788-K792 WeakPolarHBondContact O-CD 3.37Å; E788-K792 VanDerWaalsContact O-CG 3.27Å; E788-K792 WeakPolarHBondContact O-CG 3.44Å; E788-K792 PolarHBondContact O-N 2.78Å; E788-K792 IonicContact OE2-NZ 2.67Å; E788-K792 PolarHBondContact OE2-NZ 3.34Å
789	V	91.1	Very high	90.1	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-57.6	-52.1	172.8	-178.9	0	0	0	0	109.2	M784 N785 L786 K791 K792 Y793 L799 V835	M784-V789 HydrophobicContact CG-CG2 3.77Å; M784-V789 HydrophobicContact SD-CG2 3.84Å; N785-V789 WeakPolarHBondContact O-CG2 3.37Å; N785-V789 PolarHBondContact O-N 3.41Å; N785-V789 VanDerWaalsContact O-N 3.12Å; L786-V789 HydrophobicContact CD2-CG2 4.4Å; L786-V789 PolarHBondContact O-N 3.3Å; V789-K791 PolarHBondContact O-N 3.28Å; V789-K792 WeakPolarHBondContact O-CB 3.48Å; V789-K792 PolarHBondContact O-N 3.46Å; V789-Y793 HydrophobicContact CG1-CD2 3.87Å; V789-Y793 HydrophobicContact CG1-CE2 3.7Å; V789-Y793 WeakPolarHBondContact O-CD2 3.49Å; V789-Y793 PolarHBondContact O-N 3.04Å; V789-L799 HydrophobicContact CG1-CD2 3.94Å; V789-V835 HydrophobicContact CG2-CG2 3.8Å
790	L	91.3	Very high	89.9	Confident	12 Å²	12	56.4 Å²	56.4	6%	0.063	28%	0.277	C	S	.	.	H	α-helix	trans	-58.2	-45.4	178.1	-74	170.9	0	0	0	112.5	L786 R787 K792 Y793 G794 L799 E893 L894	L786-L790 WeakPolarHBondContact O-CG 3.38Å; L786-L790 PolarHBondContact O-N 2.76Å; R787-L790 PolarHBondContact O-N 3.29Å; L790-K792 VanDerWaalsContact C-N 3.28Å; L790-K792 PolarHBondContact O-N 2.98Å; L790-Y793 PolarHBondContact O-N 3.17Å; L790-Y793 VanDerWaalsContact O-N 3.13Å; L790-G794 PolarHBondContact O-N 2.8Å; L790-L799 HydrophobicContact CD2-CD2 4.4Å; L790-L799 HydrophobicContact CD2-CG 4.02Å; L790-E893 HydrophobicContact CD1-CG 4.13Å; L790-L894 HydrophobicContact CD1-CD2 4.13Å; L790-L894 HydrophobicContact CG-CD2 4.38Å
791	K	90.6	Very high	89.7	Confident	159 Å²	159	55.4 Å²	55.4	69%	0.691	27%	0.273	S	S	*	.	H	α-helix	trans	-56.1	-40.7	173.8	-73.9	177.3	177.6	-179	0	112.2	R787 E788 V789 G794	R787-K791 WeakPolarHBondContact O-CG 3.39Å; R787-K791 PolarHBondContact O-N 3.1Å; E788-K791 PolarHBondContact O-N 3.19Å; V789-K791 PolarHBondContact O-N 3.28Å; K791-G794 PolarHBondContact O-N 2.83Å
792	K	89.4	Confident	89.6	Confident	124 Å²	124	57.4 Å²	57.4	54%	0.539	28%	0.275	S	S	.	.	H	α-helix	trans	-71.9	-23.2	178.4	-73.2	162.3	179.1	154.8	0	113.9	M784 E788 V789 L790	M784-K792 HydrophobicContact SD-CD 3.96Å; M784-K792 PolarHBondContact SD-NZ 3.43Å; M784-K792 VanDerWaalsContact SD-NZ 3.38Å; E788-K792 WeakPolarHBondContact O-CB 3.41Å; E788-K792 WeakPolarHBondContact O-CD 3.37Å; E788-K792 VanDerWaalsContact O-CG 3.27Å; E788-K792 WeakPolarHBondContact O-CG 3.44Å; E788-K792 PolarHBondContact O-N 2.78Å; E788-K792 IonicContact OE2-NZ 2.67Å; E788-K792 PolarHBondContact OE2-NZ 3.34Å; V789-K792 WeakPolarHBondContact O-CB 3.48Å; V789-K792 PolarHBondContact O-N 3.46Å; L790-K792 VanDerWaalsContact C-N 3.28Å; L790-K792 PolarHBondContact O-N 2.98Å
793	Y	86.6	Confident	89.6	Confident	113 Å²	113	57.4 Å²	57.4	44%	0.443	28%	0.279	S	S	.	.	H	α-helix	trans	-79	-23.8	170.6	-87.1	-92.9	0	0	0	112.9	V789 L790 L799	V789-Y793 HydrophobicContact CG1-CD2 3.87Å; V789-Y793 HydrophobicContact CG1-CE2 3.7Å; V789-Y793 WeakPolarHBondContact O-CD2 3.49Å; V789-Y793 PolarHBondContact O-N 3.04Å; L790-Y793 PolarHBondContact O-N 3.17Å; L790-Y793 VanDerWaalsContact O-N 3.13Å; Y793-L799 HydrophobicContact CD1-CD2 4.41Å; Y793-L799 HydrophobicContact CD2-CD2 3.4Å; Y793-L799 HydrophobicContact CE1-CD2 4.34Å; Y793-L799 HydrophobicContact CE2-CD2 3.3Å; Y793-L799 HydrophobicContact CG-CD2 3.97Å
794	G	85.6	Confident	89.8	Confident	28 Å²	28	56.1 Å²	56.1	29%	0.289	27%	0.27	S	S	.	.			trans	109.2	161.8	177.3	0	0	0	0	0	113.4	L790 K791 D796 V797	L790-G794 PolarHBondContact O-N 2.8Å; K791-G794 PolarHBondContact O-N 2.83Å; G794-D796 PolarHBondContact O-N 3.48Å; G794-V797 PolarHBondContact O-N 2.65Å
795	K	83.4	Confident	89.9	Confident	185 Å²	185	56.3 Å²	56.3	80%	0.804	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	129	-178.6	-175.4	175.5	-179.8	177.9	0	110.7	V797	K795-V797 PolarHBondContact O-N 3.39Å; K795-V797 VanDerWaalsContact O-N 3.17Å
796	D	83.1	Confident	89.9	Confident	76 Å²	76	56.9 Å²	56.9	41%	0.406	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	19.4	175.9	-58	-9.3	0	0	0	115.4	G794 T896 K898	G794-D796 PolarHBondContact O-N 3.48Å; D796-T896 CarbonylContact C-O 3.52Å; D796-K898 VanDerWaalsContact CB-CE 3.49Å; D796-K898 WeakPolarHBondContact OD1-CE 3.41Å; D796-K898 WeakPolarHBondContact OD1-CG 3.38Å; D796-K898 WeakPolarHBondContact OD2-CE 3.46Å; D796-K898 IonicContact OD2-NZ 3.08Å
797	V	86.7	Confident	90.1	Very high	75 Å²	75	57.2 Å²	57.2	46%	0.455	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-45.7	178.8	-178.6	0	0	0	0	112	G794 K795	G794-V797 PolarHBondContact O-N 2.65Å; K795-V797 PolarHBondContact O-N 3.39Å; K795-V797 VanDerWaalsContact O-N 3.17Å
798	G	89.4	Confident	90.2	Very high	3 Å²	3	55.1 Å²	55.1	3%	0.031	27%	0.269	C	S	.	.			trans	68	-168	-174.4	0	0	0	0	0	114.3
799	L	91.8	Very high	90.4	Very high	7 Å²	7	56.2 Å²	56.2	4%	0.037	27%	0.274	C	S	.	.			trans	-105	149	-178.4	-58.8	179.8	0	0	0	111.9	V789 L790 Y793 I801 V804 Y807 L894	V789-L799 HydrophobicContact CG1-CD2 3.94Å; L790-L799 HydrophobicContact CD2-CD2 4.4Å; L790-L799 HydrophobicContact CD2-CG 4.02Å; Y793-L799 HydrophobicContact CD1-CD2 4.41Å; Y793-L799 HydrophobicContact CD2-CD2 3.4Å; Y793-L799 HydrophobicContact CE1-CD2 4.34Å; Y793-L799 HydrophobicContact CE2-CD2 3.3Å; Y793-L799 HydrophobicContact CG-CD2 3.97Å; L799-I801 PolarHBondContact O-N 3.44Å; L799-V804 HydrophobicContact CB-CG2 3.84Å; L799-Y807 HydrophobicContact CD1-CD2 3.96Å; L799-Y807 HydrophobicContact CD1-CE2 3.62Å; L799-L894 VanDerWaalsContact CB-O 3.29Å; L799-L894 WeakPolarHBondContact CB-O 3.3Å; L799-L894 HydrophobicContact CD1-CB 4.38Å; L799-L894 HydrophobicContact CD1-CD2 3.8Å; L799-L894 WeakPolarHBondContact CG-O 3.46Å; L799-L894 PolarHBondContact N-O 3.42Å
800	H	91.3	Very high	90.6	Very high	90 Å²	90	56.8 Å²	56.8	42%	0.417	28%	0.277	S	S	.	.			trans	-58.6	137.1	174	-175.2	-101	0	0	0	111.7	K802 A803 V804 Q981	H800-K802 PolarHBondContact ND1-N 3.29Å; H800-K802 PolarHBondContact O-N 3.45Å; H800-A803 WeakPolarHBondContact O-CA 3.39Å; H800-A803 WeakPolarHBondContact O-CB 3.24Å; H800-A803 PolarHBondContact O-N 2.85Å; H800-V804 PolarHBondContact O-N 3.07Å; H800-Q981 PolarHBondContact NE2-NE2 3.31Å
801	I	90.3	Very high	90.9	Very high	8 Å²	8	56.3 Å²	56.3	4%	0.041	28%	0.275	C	S	.	.	H	α-helix	trans	-52.9	-30.6	-171.8	-166.4	63.6	0	0	0	114.7	L799 R805 Y895 K984 V985 L988 F1014	L799-I801 PolarHBondContact O-N 3.44Å; I801-R805 WeakPolarHBondContact O-CB 3.49Å; I801-R805 PolarHBondContact O-N 3.37Å; I801-Y895 HydrophobicContact CB-CE2 4.14Å; I801-Y895 HydrophobicContact CD1-CD2 3.87Å; I801-Y895 HydrophobicContact CD1-CE2 3.93Å; I801-K984 HydrophobicContact CG1-CB 4Å; I801-V985 HydrophobicContact CD1-CG2 4.26Å; I801-L988 HydrophobicContact CD1-CB 4.27Å; I801-L988 HydrophobicContact CD1-CD2 3.51Å; I801-F1014 HydrophobicContact CD1-CE2 3.78Å; I801-F1014 HydrophobicContact CD1-CZ 3.86Å; I801-F1014 HydrophobicContact CG1-CE2 4.04Å; I801-F1014 HydrophobicContact CG1-CZ 4.35Å
802	K	90.6	Very high	91.1	Very high	102 Å²	102	48.8 Å²	48.8	44%	0.443	24%	0.242	S	C	.	.	H	α-helix	trans	-66.3	-38.3	174.3	-65.6	-177.1	-178.7	-168.9	0	112.8	H800 S806 I1019	H800-K802 PolarHBondContact ND1-N 3.29Å; H800-K802 PolarHBondContact O-N 3.45Å; K802-S806 PolarHBondContact O-N 3.03Å; K802-S806 VanDerWaalsContact O-N 3.13Å; K802-I1019 HydrophobicContact CB-CD1 4.31Å; K802-I1019 HydrophobicContact CD-CD1 4.2Å; K802-I1019 HydrophobicContact CD-CG2 4.01Å; K802-I1019 HydrophobicContact CG-CD1 4.01Å; K802-I1019 VanDerWaalsContact NZ-CG2 3.31Å
803	A	92.2	Very high	91.4	Very high	29 Å²	29	44.6 Å²	44.6	24%	0.24	23%	0.225	C	C	.	.	H	α-helix	trans	-71.8	-44.6	176.3	0	0	0	0	0	110.6	H800 R805 S806 Y807	H800-A803 WeakPolarHBondContact O-CA 3.39Å; H800-A803 WeakPolarHBondContact O-CB 3.24Å; H800-A803 PolarHBondContact O-N 2.85Å; A803-R805 VanDerWaalsContact C-N 3.3Å; A803-R805 PolarHBondContact O-N 3.22Å; A803-S806 WeakPolarHBondContact O-CB 3.35Å; A803-S806 PolarHBondContact O-N 3.45Å; A803-S806 VanDerWaalsContact O-N 3.12Å; A803-Y807 PolarHBondContact O-N 2.93Å
804	V	93.8	Very high	91.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-53.6	-49	173.7	-179.9	0	0	0	0	110.5	L799 H800 S806 Y807 T808 L894 Y895 L988	L799-V804 HydrophobicContact CB-CG2 3.84Å; H800-V804 PolarHBondContact O-N 3.07Å; V804-S806 PolarHBondContact O-N 2.83Å; V804-Y807 CarbonylContact O-C 3.46Å; V804-Y807 PolarHBondContact O-N 3.24Å; V804-T808 PolarHBondContact O-N 3.45Å; V804-T808 PolarHBondContact O-OG1 2.85Å; V804-L894 HydrophobicContact CG2-CB 4.41Å; V804-Y895 HydrophobicContact CG2-CD2 4.14Å; V804-L988 HydrophobicContact CG1-CD2 4.05Å
805	R	92.9	Very high	92.3	Very high	29 Å²	29	38.1 Å²	38.1	11%	0.109	19%	0.192	C	C	.	.	H	α-helix	trans	-57	-47.7	175.4	178.9	-171.2	166.7	144	-21.6	113.6	I801 A803 Y807 T808 Q809 F1014 I1015 E1017	I801-R805 WeakPolarHBondContact O-CB 3.49Å; I801-R805 PolarHBondContact O-N 3.37Å; A803-R805 VanDerWaalsContact C-N 3.3Å; A803-R805 PolarHBondContact O-N 3.22Å; R805-Y807 VanDerWaalsContact C-N 3.27Å; R805-Y807 PolarHBondContact O-N 2.9Å; R805-T808 WeakPolarHBondContact O-CB 3.39Å; R805-T808 PolarHBondContact O-N 3.48Å; R805-Q809 PolarHBondContact O-N 3.14Å; R805-F1014 HydrophobicContact CB-CE1 3.75Å; R805-F1014 HydrophobicContact CB-CE2 4.34Å; R805-F1014 HydrophobicContact CB-CZ 3.64Å; R805-F1014 WeakPolarHBondContact CD-O 3.4Å; R805-F1014 HydrophobicContact CG-CD1 4.41Å; R805-F1014 HydrophobicContact CG-CE1 4.12Å; R805-F1014 HydrophobicContact CG-CZ 4.32Å; R805-F1014 WeakPolarHBondContact CG-O 3.33Å; R805-F1014 VanDerWaalsContact CZ-O 3.24Å; R805-F1014 PolarHBondContact NE-O 2.87Å; R805-F1014 PolarHBondContact NH1-O 2.86Å; R805-I1015 VanDerWaalsContact CZ-C 3.46Å; R805-I1015 PolarHBondContact NE-O 3.46Å; R805-I1015 PolarHBondContact NH2-O 3.19Å; R805-E1017 PolarHBondContact NH1-O 3.19Å; R805-E1017 PolarHBondContact NH2-O 3.19Å
806	S	93.4	Very high	92.9	Very high	45 Å²	45	33.4 Å²	33.4	32%	0.315	17%	0.171	S	C	.	.	H	α-helix	trans	-56.6	-46.9	177.8	-172.9	0	0	0	0	110.2	K802 A803 V804 Q809 Q810	K802-S806 PolarHBondContact O-N 3.03Å; K802-S806 VanDerWaalsContact O-N 3.13Å; A803-S806 WeakPolarHBondContact O-CB 3.35Å; A803-S806 PolarHBondContact O-N 3.45Å; A803-S806 VanDerWaalsContact O-N 3.12Å; V804-S806 PolarHBondContact O-N 2.83Å; S806-Q809 PolarHBondContact O-N 3.25Å; S806-Q810 VanDerWaalsContact O-CG 3.29Å; S806-Q810 WeakPolarHBondContact O-CG 3.44Å; S806-Q810 PolarHBondContact O-N 3.22Å; S806-Q810 VanDerWaalsContact O-N 3.16Å; S806-Q810 PolarHBondContact O-NE2 2.73Å; S806-Q810 PolarHBondContact OG-NE2 2.93Å
807	Y	95.4	Very high	93.5	Very high	7 Å²	7	29.8 Å²	29.8	3%	0.027	15%	0.152	C	C	.	.	H	α-helix	trans	-66.3	-38.1	178.2	-63.8	-12.9	0	0	0	112.8	L786 L799 A803 V804 R805 Q809 Q810 L811 V835 K839 L842 L894	L786-Y807 HydrophobicContact CD1-CD2 4.4Å; L786-Y807 HydrophobicContact CD2-CD2 4.08Å; L786-Y807 HydrophobicContact CD2-CE2 3.52Å; L799-Y807 HydrophobicContact CD1-CD2 3.96Å; L799-Y807 HydrophobicContact CD1-CE2 3.62Å; A803-Y807 PolarHBondContact O-N 2.93Å; V804-Y807 CarbonylContact O-C 3.46Å; V804-Y807 PolarHBondContact O-N 3.24Å; R805-Y807 VanDerWaalsContact C-N 3.27Å; R805-Y807 PolarHBondContact O-N 2.9Å; Y807-Q809 VanDerWaalsContact C-N 3.34Å; Y807-Q809 PolarHBondContact O-N 3.21Å; Y807-Q810 PolarHBondContact O-N 2.84Å; Y807-L811 WeakPolarHBondContact O-CB 3.29Å; Y807-L811 VanDerWaalsContact O-CG 3.31Å; Y807-L811 WeakPolarHBondContact O-CG 3.36Å; Y807-L811 PolarHBondContact O-N 3.4Å; Y807-V835 HydrophobicContact CE1-CG1 4.47Å; Y807-K839 PolarHBondContact OH-O 2.96Å; Y807-L842 HydrophobicContact CD1-CD2 3.76Å; Y807-L842 HydrophobicContact CD1-CG 4.49Å; Y807-L842 HydrophobicContact CG-CD2 3.72Å; Y807-L894 HydrophobicContact CD2-CD1 4.46Å
808	T	95.1	Very high	93.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-55.7	-47.2	172.5	-58.8	0	0	0	0	111.9	V804 R805 F812 L891 L991 F1014 I1015	V804-T808 PolarHBondContact O-N 3.45Å; V804-T808 PolarHBondContact O-OG1 2.85Å; R805-T808 WeakPolarHBondContact O-CB 3.39Å; R805-T808 PolarHBondContact O-N 3.48Å; T808-F812 HydrophobicContact CG2-CD2 3.8Å; T808-F812 HydrophobicContact CG2-CE2 3.31Å; T808-F812 HydrophobicContact CG2-CZ 3.97Å; T808-F812 WeakPolarHBondContact O-CD2 3.27Å; T808-F812 WeakPolarHBondContact O-CG 3.14Å; T808-F812 PolarHBondContact O-N 2.86Å; T808-F812 VanDerWaalsContact O-N 3.08Å; T808-L891 HydrophobicContact CG2-CD1 3.76Å; T808-L891 HydrophobicContact CG2-CD2 4.38Å; T808-L891 WeakPolarHBondContact OG1-CD2 3.46Å; T808-L991 HydrophobicContact CG2-CD2 3.64Å; T808-F1014 HydrophobicContact CG2-CD1 4.28Å; T808-F1014 HydrophobicContact CG2-CE1 4.37Å; T808-I1015 HydrophobicContact CG2-CD1 3.7Å; T808-I1015 HydrophobicContact CG2-CG1 4.14Å
809	Q	94.9	Very high	94.1	Very high	87 Å²	87	31.2 Å²	31.2	41%	0.407	15%	0.151	S	C	.	.	H	α-helix	trans	-61.7	-46.5	178.5	-174.1	177.2	3	0	0	111.3	R805 S806 Y807 F812 L813 L1010 I1015	R805-Q809 PolarHBondContact O-N 3.14Å; S806-Q809 PolarHBondContact O-N 3.25Å; Y807-Q809 VanDerWaalsContact C-N 3.34Å; Y807-Q809 PolarHBondContact O-N 3.21Å; Q809-F812 PolarHBondContact O-N 3.04Å; Q809-L813 HydrophobicContact CG-CD1 4.48Å; Q809-L813 WeakPolarHBondContact O-CG 3.49Å; Q809-L813 PolarHBondContact O-N 3.32Å; Q809-L1010 HydrophobicContact CG-CD2 4.46Å; Q809-I1015 HydrophobicContact CB-CG2 3.93Å; Q809-I1015 HydrophobicContact CG-CG2 3.88Å
810	Q	95.4	Very high	94.2	Very high	14 Å²	14	37.3 Å²	37.3	7%	0.065	17%	0.174	C	C	.	.	H	α-helix	trans	-66.2	-40.6	-178.6	-63.7	178.8	52.2	0	0	112.1	H761 S806 Y807 L813 A814 T840 I841 L842	H761-Q810 HydrophobicContact CB-CB 4.35Å; H761-Q810 VanDerWaalsContact CE1-CG 3.45Å; H761-Q810 WeakPolarHBondContact CE1-CG 3.19Å; H761-Q810 PolarHBondContact CE1-OE1 2.95Å; H761-Q810 PolarHBondContact ND1-OE1 2.92Å; H761-Q810 VanDerWaalsContact ND1-OE1 3.1Å; S806-Q810 VanDerWaalsContact O-CG 3.29Å; S806-Q810 WeakPolarHBondContact O-CG 3.44Å; S806-Q810 PolarHBondContact O-N 3.22Å; S806-Q810 VanDerWaalsContact O-N 3.16Å; S806-Q810 PolarHBondContact O-NE2 2.73Å; S806-Q810 PolarHBondContact OG-NE2 2.93Å; Y807-Q810 PolarHBondContact O-N 2.84Å; Q810-L813 WeakPolarHBondContact O-CB 3.22Å; Q810-L813 PolarHBondContact O-N 2.76Å; Q810-A814 PolarHBondContact O-N 3.05Å; Q810-T840 PolarHBondContact NE2-O 2.92Å; Q810-I841 VanDerWaalsContact OE1-CA 3.31Å; Q810-L842 HydrophobicContact CB-CD1 3.87Å; Q810-L842 HydrophobicContact CB-CD2 4.07Å; Q810-L842 HydrophobicContact CB-CG 3.71Å
811	L	96.2	Very high	94.3	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-63.7	-41.6	174.9	-72.9	170.7	0	0	0	112.3	Y807 L813 A814 L815 I833 L842 V887 L891	Y807-L811 WeakPolarHBondContact O-CB 3.29Å; Y807-L811 VanDerWaalsContact O-CG 3.31Å; Y807-L811 WeakPolarHBondContact O-CG 3.36Å; Y807-L811 PolarHBondContact O-N 3.4Å; L811-L813 VanDerWaalsContact C-N 3.31Å; L811-L813 PolarHBondContact O-N 2.85Å; L811-A814 WeakPolarHBondContact O-CB 3.44Å; L811-A814 PolarHBondContact O-N 2.57Å; L811-L815 WeakPolarHBondContact O-CG 3.18Å; L811-L815 PolarHBondContact O-N 2.95Å; L811-I833 HydrophobicContact CD1-CD1 4.35Å; L811-I833 HydrophobicContact CD2-CD1 3.74Å; L811-I833 HydrophobicContact CD2-CG1 4.1Å; L811-I833 HydrophobicContact CD2-CG2 4.35Å; L811-L842 HydrophobicContact CD2-CD1 3.92Å; L811-L842 HydrophobicContact CD2-CD2 4.29Å; L811-L842 HydrophobicContact CG-CD1 4.2Å; L811-L842 HydrophobicContact CG-CD2 3.94Å; L811-V887 HydrophobicContact CB-CG1 4.29Å; L811-V887 HydrophobicContact CB-CG2 4.42Å; L811-V887 HydrophobicContact CD1-CG1 4.32Å; L811-L891 HydrophobicContact CD1-CD2 4.13Å
812	F	95.9	Very high	94.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-71	-25.6	176.1	-65.2	-33.2	0	0	0	113.3	T808 Q809 L815 K816 M884 V887 L891 L991 T995 I1006 A1009 L1010 I1015	T808-F812 HydrophobicContact CG2-CD2 3.8Å; T808-F812 HydrophobicContact CG2-CE2 3.31Å; T808-F812 HydrophobicContact CG2-CZ 3.97Å; T808-F812 WeakPolarHBondContact O-CD2 3.27Å; T808-F812 WeakPolarHBondContact O-CG 3.14Å; T808-F812 PolarHBondContact O-N 2.86Å; T808-F812 VanDerWaalsContact O-N 3.08Å; Q809-F812 PolarHBondContact O-N 3.04Å; F812-L815 HydrophobicContact CD1-CD1 4.14Å; F812-K816 WeakPolarHBondContact O-CB 3.43Å; F812-K816 PolarHBondContact O-N 3.11Å; F812-M884 HydrophobicContact CD1-CE 4.22Å; F812-M884 HydrophobicContact CD1-SD 4.24Å; F812-M884 HydrophobicContact CE1-CE 4.12Å; F812-M884 HydrophobicContact CE1-SD 3.58Å; F812-M884 VanDerWaalsContact CE1-SD 3.58Å; F812-M884 HydrophobicContact CZ-SD 4.32Å; F812-V887 HydrophobicContact CD1-CG1 4.17Å; F812-V887 HydrophobicContact CE1-CB 4.48Å; F812-V887 HydrophobicContact CE1-CG1 3.59Å; F812-V887 HydrophobicContact CZ-CG1 4.3Å; F812-L891 HydrophobicContact CZ-CD1 4.18Å; F812-L991 HydrophobicContact CE2-CD1 4.09Å; F812-L991 HydrophobicContact CE2-CD2 4.01Å; F812-L991 HydrophobicContact CZ-CD1 4.2Å; F812-L991 HydrophobicContact CZ-CD2 4.34Å; F812-T995 HydrophobicContact CZ-CG2 4.34Å; F812-I1006 VanDerWaalsContact O-CG2 3.29Å; F812-I1006 WeakPolarHBondContact O-CG2 3.34Å; F812-A1009 HydrophobicContact CD1-CB 4.37Å; F812-A1009 HydrophobicContact CD2-CB 3.75Å; F812-A1009 HydrophobicContact CE1-CB 4.22Å; F812-A1009 HydrophobicContact CE2-CB 3.58Å; F812-A1009 HydrophobicContact CG-CB 4.16Å; F812-A1009 HydrophobicContact CZ-CB 3.84Å; F812-L1010 HydrophobicContact CB-CD2 3.64Å; F812-L1010 HydrophobicContact CB-CG 3.88Å; F812-I1015 HydrophobicContact CD2-CD1 3.61Å; F812-I1015 HydrophobicContact CE2-CD1 3.86Å
813	L	95.6	Very high	94.6	Very high	36 Å²	36	30.5 Å²	30.5	19%	0.188	15%	0.15	C	C	.	.	H	α-helix	trans	-66.9	-43	167.3	-69.9	171.4	0	0	0	111.1	F760 Q809 Q810 L811 L815 K816 L817 L1010	F760-L813 HydrophobicContact CD1-CB 4.22Å; F760-L813 HydrophobicContact CD1-CD2 4.24Å; F760-L813 WeakPolarHBondContact CD1-O 3.33Å; F760-L813 HydrophobicContact CE1-CD2 4.35Å; F760-L813 CarbonylContact O-C 3.58Å; Q809-L813 HydrophobicContact CG-CD1 4.48Å; Q809-L813 WeakPolarHBondContact O-CG 3.49Å; Q809-L813 PolarHBondContact O-N 3.32Å; Q810-L813 WeakPolarHBondContact O-CB 3.22Å; Q810-L813 PolarHBondContact O-N 2.76Å; L811-L813 VanDerWaalsContact C-N 3.31Å; L811-L813 PolarHBondContact O-N 2.85Å; L813-L815 PolarHBondContact O-N 3.15Å; L813-K816 WeakPolarHBondContact O-CB 3.43Å; L813-K816 PolarHBondContact O-N 3.15Å; L813-K816 VanDerWaalsContact O-N 3.1Å; L813-L817 PolarHBondContact O-N 3.06Å; L813-L817 VanDerWaalsContact O-N 3.1Å; L813-L1010 HydrophobicContact CD2-CD1 4.29Å; L813-L1010 HydrophobicContact CD2-CD2 4.31Å; L813-L1010 HydrophobicContact CG-CD2 4.28Å
814	A	96.1	Very high	94.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60	-46.6	173.3	0	0	0	0	0	112.2	F760 Q810 L811 K816 L817 L818 L844	F760-A814 WeakPolarHBondContact O-CA 3.49Å; F760-A814 WeakPolarHBondContact O-CB 3.38Å; F760-A814 PolarHBondContact O-N 3.01Å; F760-A814 VanDerWaalsContact O-N 3.16Å; Q810-A814 PolarHBondContact O-N 3.05Å; L811-A814 WeakPolarHBondContact O-CB 3.44Å; L811-A814 PolarHBondContact O-N 2.57Å; A814-K816 PolarHBondContact O-N 2.94Å; A814-L817 PolarHBondContact O-N 3.14Å; A814-L817 VanDerWaalsContact O-N 3.13Å; A814-L818 WeakPolarHBondContact O-CG 3.4Å; A814-L818 PolarHBondContact O-N 2.65Å; A814-L844 HydrophobicContact CB-CB 4.21Å; A814-L844 HydrophobicContact CB-CD2 4.12Å
815	L	95.6	Very high	94.7	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-58.5	-35.5	173.7	-64.6	-163.7	0	0	0	112.6	L811 F812 L813 L818 K819 I828 D883 M884 V887 I1006	L811-L815 WeakPolarHBondContact O-CG 3.18Å; L811-L815 PolarHBondContact O-N 2.95Å; F812-L815 HydrophobicContact CD1-CD1 4.14Å; L813-L815 PolarHBondContact O-N 3.15Å; L815-L818 HydrophobicContact CD2-CD1 4.21Å; L815-L818 PolarHBondContact O-N 2.73Å; L815-K819 WeakPolarHBondContact O-CB 3.27Å; L815-K819 PolarHBondContact O-N 3.12Å; L815-I828 HydrophobicContact CD2-CD1 3.56Å; L815-D883 HydrophobicContact CD2-CB 3.74Å; L815-M884 HydrophobicContact CD1-CB 4.42Å; L815-M884 HydrophobicContact CD1-CE 3.84Å; L815-M884 HydrophobicContact CD1-SD 4.22Å; L815-V887 HydrophobicContact CD1-CB 4.49Å; L815-V887 HydrophobicContact CD1-CG2 3.99Å; L815-V887 HydrophobicContact CD2-CG2 4.24Å; L815-V887 HydrophobicContact CG-CG2 4.25Å; L815-I1006 HydrophobicContact CB-CD1 3.9Å; L815-I1006 HydrophobicContact CB-CG1 4.08Å; L815-I1006 HydrophobicContact CB-CG2 4.4Å; L815-I1006 WeakPolarHBondContact O-CD1 3.35Å
816	K	95.6	Very high	94.7	Very high	85 Å²	85	27.7 Å²	27.7	37%	0.37	13%	0.133	S	C	.	.	H	α-helix	trans	-66.2	-37.7	177.7	-174.8	167.8	174.3	171.3	0	112	F760 F812 L813 A814 R820 I1006 L1010	F760-K816 HydrophobicContact CD1-CB 4.5Å; F760-K816 HydrophobicContact CE1-CB 4.46Å; F760-K816 HydrophobicContact CE1-CD 4.14Å; F760-K816 HydrophobicContact CE1-CG 4.21Å; F812-K816 WeakPolarHBondContact O-CB 3.43Å; F812-K816 PolarHBondContact O-N 3.11Å; L813-K816 WeakPolarHBondContact O-CB 3.43Å; L813-K816 PolarHBondContact O-N 3.15Å; L813-K816 VanDerWaalsContact O-N 3.1Å; A814-K816 PolarHBondContact O-N 2.94Å; K816-R820 WeakPolarHBondContact O-CB 3.38Å; K816-R820 PolarHBondContact O-N 2.82Å; K816-R820 VanDerWaalsContact O-N 3.16Å; K816-I1006 HydrophobicContact CB-CG2 3.88Å; K816-L1010 HydrophobicContact CD-CD1 4.08Å
817	L	95.4	Very high	94.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.2	-47.8	173.7	-177.6	67	0	0	0	111.4	L751 A754 D755 F760 C762 L813 A814 K819 R820 C821	L751-L817 HydrophobicContact CB-CD2 4.13Å; L751-L817 HydrophobicContact CD2-CD2 3.69Å; L751-L817 HydrophobicContact CD2-CG 3.64Å; A754-L817 HydrophobicContact CB-CD1 3.92Å; D755-L817 HydrophobicContact CB-CD1 4.07Å; D755-L817 HydrophobicContact CB-CD2 4.03Å; F760-L817 HydrophobicContact CB-CB 3.63Å; F760-L817 HydrophobicContact CB-CD1 4.5Å; F760-L817 HydrophobicContact CB-CD2 3.92Å; F760-L817 HydrophobicContact CB-CG 4.22Å; F760-L817 HydrophobicContact CD1-CB 4.36Å; F760-L817 HydrophobicContact CD2-CB 4.49Å; F760-L817 HydrophobicContact CD2-CD1 4.15Å; F760-L817 HydrophobicContact CG-CB 3.94Å; F760-L817 HydrophobicContact CG-CD1 4.43Å; C762-L817 HydrophobicContact CB-CD2 4.1Å; L813-L817 PolarHBondContact O-N 3.06Å; L813-L817 VanDerWaalsContact O-N 3.1Å; A814-L817 PolarHBondContact O-N 3.14Å; A814-L817 VanDerWaalsContact O-N 3.13Å; L817-K819 VanDerWaalsContact C-N 3.33Å; L817-K819 PolarHBondContact O-N 3.27Å; L817-R820 WeakPolarHBondContact O-CA 3.41Å; L817-R820 WeakPolarHBondContact O-CB 3.34Å; L817-R820 PolarHBondContact O-N 2.85Å; L817-C821 PolarHBondContact O-N 3.36Å
818	L	94.9	Very high	94.7	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-56.2	-47	178.7	-68.5	169.3	0	0	0	111.9	L751 A814 L815 R820 C821 S822 I823 H825 L844 F847	L751-L818 HydrophobicContact CD1-CD2 4.11Å; L751-L818 HydrophobicContact CD2-CD2 3.93Å; A814-L818 WeakPolarHBondContact O-CG 3.4Å; A814-L818 PolarHBondContact O-N 2.65Å; L815-L818 HydrophobicContact CD2-CD1 4.21Å; L815-L818 PolarHBondContact O-N 2.73Å; L818-R820 VanDerWaalsContact C-N 3.31Å; L818-R820 PolarHBondContact O-N 2.98Å; L818-C821 PolarHBondContact O-N 3.46Å; L818-S822 PolarHBondContact O-N 2.93Å; L818-S822 VanDerWaalsContact O-N 3.11Å; L818-I823 CarbonylContact C-O 3.59Å; L818-I823 HydrophobicContact CD2-CB 4.12Å; L818-I823 HydrophobicContact CD2-CG2 3.85Å; L818-I823 PolarHBondContact O-N 3.04Å; L818-H825 HydrophobicContact CD1-CB 3.96Å; L818-L844 HydrophobicContact CD1-CD2 3.71Å; L818-F847 HydrophobicContact CD2-CE1 3.76Å
819	K	94.1	Very high	94.7	Very high	108 Å²	108	27.5 Å²	27.5	47%	0.47	13%	0.127	S	C	.	.	H	α-helix	trans	-63	-34.2	175.1	-175.8	168.7	-177.1	172.7	0	113.2	L815 L817 Y880 I1006	L815-K819 WeakPolarHBondContact O-CB 3.27Å; L815-K819 PolarHBondContact O-N 3.12Å; L817-K819 VanDerWaalsContact C-N 3.33Å; L817-K819 PolarHBondContact O-N 3.27Å; K819-Y880 HydrophobicContact CB-CD1 4.01Å; K819-Y880 HydrophobicContact CB-CE1 4.26Å; K819-Y880 HydrophobicContact CB-CG 4.24Å; K819-Y880 HydrophobicContact CD-CD2 4.12Å; K819-Y880 HydrophobicContact CD-CG 4.27Å; K819-Y880 HydrophobicContact CG-CD1 4.11Å; K819-Y880 HydrophobicContact CG-CD2 4Å; K819-Y880 HydrophobicContact CG-CE1 4.19Å; K819-Y880 HydrophobicContact CG-CE2 4.08Å; K819-Y880 HydrophobicContact CG-CG 4Å; K819-I1006 HydrophobicContact CB-CD1 3.89Å; K819-I1006 HydrophobicContact CD-CD1 3.82Å; K819-I1006 HydrophobicContact CG-CD1 4.46Å
820	R	93.7	Very high	94.6	Very high	134 Å²	134	23.4 Å²	23.4	51%	0.506	11%	0.108	S	C	.	.	H	α-helix	trans	-71.5	-32	176.5	-178.9	171.3	60.2	142.9	2.3	112.4	A754 K816 L817 L818	A754-R820 PolarHBondContact O-NH1 3.31Å; A754-R820 PolarHBondContact O-NH2 3Å; K816-R820 WeakPolarHBondContact O-CB 3.38Å; K816-R820 PolarHBondContact O-N 2.82Å; K816-R820 VanDerWaalsContact O-N 3.16Å; L817-R820 WeakPolarHBondContact O-CA 3.41Å; L817-R820 WeakPolarHBondContact O-CB 3.34Å; L817-R820 PolarHBondContact O-N 2.85Å; L818-R820 VanDerWaalsContact C-N 3.31Å; L818-R820 PolarHBondContact O-N 2.98Å
821	C	93.2	Very high	94.4	Very high	7 Å²	7	25.3 Å²	25.3	5%	0.047	12%	0.119	C	C	.	.	H	α-helix	trans	-89.5	-0.4	178.7	-64.3	0	0	0	0	114	R750 L751 A754 L817 L818 I823	R750-C821 HydrophobicContact CG-CB 4.5Å; R750-C821 PolarHBondContact NE-O 3.29Å; R750-C821 PolarHBondContact NH2-O 2.82Å; L751-C821 HydrophobicContact CD2-CB 4.17Å; A754-C821 VanDerWaalsContact CB-SG 3.5Å; L817-C821 PolarHBondContact O-N 3.36Å; L818-C821 PolarHBondContact O-N 3.46Å; C821-I823 HydrophobicContact CB-CD1 3.72Å; C821-I823 HydrophobicContact CB-CG1 4.08Å
822	S	93.6	Very high	94.3	Very high	50 Å²	50	25.9 Å²	25.9	35%	0.35	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	41.2	-173.9	-56	0	0	0	0	114.2	L818 H852 V853 Y880	L818-S822 PolarHBondContact O-N 2.93Å; L818-S822 VanDerWaalsContact O-N 3.11Å; S822-H852 PolarHBondContact O-ND1 2.87Å; S822-V853 PolarHBondContact O-N 3.2Å; S822-Y880 WeakPolarHBondContact CA-OH 3.36Å
823	I	93.9	Very high	94.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	137.8	-179.7	-61.9	167.9	0	0	0	109.1	F747 L751 L818 C821 A850	F747-I823 HydrophobicContact CB-CD1 4.11Å; F747-I823 HydrophobicContact CD1-CD1 3.69Å; F747-I823 HydrophobicContact CD1-CG1 3.75Å; F747-I823 HydrophobicContact CD1-CG2 4.24Å; F747-I823 HydrophobicContact CE1-CG1 4.17Å; F747-I823 HydrophobicContact CG-CD1 4.26Å; F747-I823 HydrophobicContact CG-CG2 4.45Å; L751-I823 HydrophobicContact CD1-CD1 4.34Å; L751-I823 HydrophobicContact CD2-CD1 3.99Å; L751-I823 HydrophobicContact CG-CD1 3.9Å; L818-I823 CarbonylContact C-O 3.59Å; L818-I823 HydrophobicContact CD2-CB 4.12Å; L818-I823 HydrophobicContact CD2-CG2 3.85Å; L818-I823 PolarHBondContact O-N 3.04Å; C821-I823 HydrophobicContact CB-CD1 3.72Å; C821-I823 HydrophobicContact CB-CG1 4.08Å; I823-A850 HydrophobicContact CG2-CB 4.17Å
824	L	93.7	Very high	94.2	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	134.4	163.3	-59.9	178.1	0	0	0	108.5	A850 S851 V853 N856 Y878 Y880 I882	L824-A850 WeakPolarHBondContact O-CA 2.99Å; L824-A850 WeakPolarHBondContact O-CB 3.39Å; L824-S851 PolarHBondContact N-O 2.95Å; L824-S851 PolarHBondContact O-N 2.83Å; L824-S851 VanDerWaalsContact O-N 3.14Å; L824-V853 HydrophobicContact CD1-CG2 4.03Å; L824-V853 HydrophobicContact CD2-CG2 3.62Å; L824-V853 HydrophobicContact CG-CG2 3.55Å; L824-N856 WeakPolarHBondContact CD1-OD1 3.41Å; L824-Y878 HydrophobicContact CD1-CD2 3.91Å; L824-Y878 HydrophobicContact CD1-CE2 3.72Å; L824-Y880 HydrophobicContact CD2-CD1 3.81Å; L824-Y880 HydrophobicContact CD2-CE1 4.4Å; L824-Y880 HydrophobicContact CD2-CG 4.24Å; L824-I882 HydrophobicContact CD1-CD1 4.17Å
825	H	94	Very high	94.2	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.			trans	-77.9	-39.9	172.7	-172.7	-78.1	0	0	0	111.1	L818 D827 I828 C845 F847 D883	L818-H825 HydrophobicContact CD1-CB 3.96Å; H825-D827 PolarHBondContact CE1-O 2.93Å; H825-D827 VanDerWaalsContact ND1-C 3.31Å; H825-D827 PolarHBondContact ND1-N 2.91Å; H825-D827 PolarHBondContact O-N 3Å; H825-I828 HydrophobicContact CB-CD1 4.01Å; H825-I828 HydrophobicContact CB-CG1 3.72Å; H825-I828 WeakPolarHBondContact ND1-CG1 3.44Å; H825-I828 PolarHBondContact ND1-N 3.49Å; H825-C845 PolarHBondContact NE2-O 3.24Å; H825-C845 VanDerWaalsContact NE2-O 3.11Å; H825-F847 AromaticContact CD2-CD1 3.8Å; H825-F847 AromaticContact CD2-CE1 3.54Å; H825-D883 PolarHBondContact N-OD2 2.8Å
826	A	92.4	Very high	94.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.129	C	C	.	.			trans	58.1	0.2	174.8	0	0	0	0	0	116.8	L862 V863 I882 D883	A826-L862 HydrophobicContact CB-CD1 3.91Å; A826-L862 HydrophobicContact CB-CD2 4.08Å; A826-L862 HydrophobicContact CB-CG 3.98Å; A826-V863 WeakPolarHBondContact O-CA 3.21Å; A826-V863 WeakPolarHBondContact O-CB 3.49Å; A826-V863 VanDerWaalsContact O-CG2 3.27Å; A826-V863 WeakPolarHBondContact O-CG2 3.11Å; A826-V863 PolarHBondContact O-N 3.42Å; A826-I882 HydrophobicContact CB-CD1 4.31Å; A826-D883 PolarHBondContact N-OD1 2.84Å
827	D	93.8	Very high	93.8	Very high	11 Å²	11	31.4 Å²	31.4	6%	0.059	15%	0.15	C	C	.	.			trans	-142.3	48.3	169	-160.9	38.3	0	0	0	114	H825 K829 N832 S864	H825-D827 PolarHBondContact CE1-O 2.93Å; H825-D827 VanDerWaalsContact ND1-C 3.31Å; H825-D827 PolarHBondContact ND1-N 2.91Å; H825-D827 PolarHBondContact O-N 3Å; D827-K829 PolarHBondContact O-N 3.16Å; D827-K829 IonicContact OD1-NZ 3.4Å; D827-K829 WeakPolarHBondContact OD2-CE 3.16Å; D827-K829 IonicContact OD2-NZ 3.57Å; D827-K829 PolarHBondContact OD2-NZ 3.46Å; D827-N832 PolarHBondContact O-ND2 3.41Å; D827-N832 PolarHBondContact OD2-ND2 2.86Å; D827-S864 WeakPolarHBondContact OD1-CB 3.13Å; D827-S864 PolarHBondContact OD1-N 2.93Å; D827-S864 PolarHBondContact OD1-OG 2.9Å
828	I	95.8	Very high	93.5	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.175	C	C	.	.			trans	-74.8	119.1	177.5	-55.7	-176.3	0	0	0	110.3	L815 H825 I833 L844 D883 V887	L815-I828 HydrophobicContact CD2-CD1 3.56Å; H825-I828 HydrophobicContact CB-CD1 4.01Å; H825-I828 HydrophobicContact CB-CG1 3.72Å; H825-I828 WeakPolarHBondContact ND1-CG1 3.44Å; H825-I828 PolarHBondContact ND1-N 3.49Å; I828-I833 HydrophobicContact CG2-CD1 4.22Å; I828-L844 HydrophobicContact CD1-CD2 4.24Å; I828-L844 HydrophobicContact CG1-CD1 4.2Å; I828-L844 HydrophobicContact CG1-CD2 4.5Å; I828-L844 HydrophobicContact CG2-CD1 4.27Å; I828-D883 HydrophobicContact CD1-CB 3.65Å; I828-V887 HydrophobicContact CD1-CG2 4.15Å; I828-V887 HydrophobicContact CG2-CG2 4.03Å
829	K	94.1	Very high	93.4	Very high	36 Å²	36	38.5 Å²	38.5	16%	0.157	19%	0.19	C	C	.	.	S	Bend	trans	-156.6	162.8	178.8	66.2	-160.2	-171.3	-154.9	0	110.6	D827 D831 N832 I833 S864 Y867	D827-K829 PolarHBondContact O-N 3.16Å; D827-K829 IonicContact OD1-NZ 3.4Å; D827-K829 WeakPolarHBondContact OD2-CE 3.16Å; D827-K829 IonicContact OD2-NZ 3.57Å; D827-K829 PolarHBondContact OD2-NZ 3.46Å; K829-D831 HydrophobicContact CD-CB 4.4Å; K829-D831 HydrophobicContact CG-CB 4Å; K829-D831 PolarHBondContact O-N 3.32Å; K829-N832 WeakPolarHBondContact CE-ND2 3.47Å; K829-N832 WeakPolarHBondContact CE-OD1 3.18Å; K829-N832 HydrophobicContact CG-CB 4.09Å; K829-N832 PolarHBondContact O-N 3.13Å; K829-I833 WeakPolarHBondContact O-CD1 3.32Å; K829-I833 WeakPolarHBondContact O-CG1 3.38Å; K829-I833 PolarHBondContact O-N 3.41Å; K829-S864 WeakPolarHBondContact CD-OG 3.24Å; K829-S864 PolarHBondContact NZ-OG 3.31Å; K829-Y867 HydrophobicContact CB-CD1 4.39Å; K829-Y867 HydrophobicContact CB-CD2 3.68Å; K829-Y867 HydrophobicContact CB-CE1 4.3Å; K829-Y867 HydrophobicContact CB-CE2 3.55Å; K829-Y867 HydrophobicContact CB-CG 4.13Å
830	P	93.6	Very high	93.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-55.3	-25.3	178.4	-24.2	31.7	0	0	0	115	L786 R787 Y867 T890 E893	L786-P830 WeakPolarHBondContact CA-O 3.49Å; L786-P830 HydrophobicContact CB-CB 4.06Å; L786-P830 WeakPolarHBondContact CB-O 3.46Å; L786-P830 PolarHBondContact N-O 2.76Å; R787-P830 HydrophobicContact CB-CB 4.39Å; R787-P830 PolarHBondContact N-O 3.28Å; R787-P830 VanDerWaalsContact N-O 3.09Å; P830-Y867 VanDerWaalsContact CD-OH 3.31Å; P830-Y867 WeakPolarHBondContact CD-OH 3.33Å; P830-T890 HydrophobicContact CG-CG2 4.18Å; P830-E893 HydrophobicContact CG-CG 4.49Å; P830-E893 WeakPolarHBondContact CG-OE2 3.21Å
831	D	91.7	Very high	93.2	Very high	55 Å²	55	34 Å²	34	29%	0.294	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-74	-30	178.7	-43.5	-96.8	0	0	0	111.9	N785 R787 K829	N785-D831 WeakPolarHBondContact CB-O 3.04Å; R787-D831 HydrophobicContact CB-CB 4.46Å; R787-D831 VanDerWaalsContact CB-OD1 3.27Å; R787-D831 WeakPolarHBondContact CB-OD1 3.39Å; R787-D831 WeakPolarHBondContact CG-OD1 3.34Å; R787-D831 IonicContact CZ-OD1 3.12Å; R787-D831 IonicContact CZ-OD2 2.69Å; R787-D831 IonicContact NE-OD1 3.76Å; R787-D831 PolarHBondContact NE-OD1 3.08Å; R787-D831 IonicContact NE-OD2 2.67Å; R787-D831 PolarHBondContact NE-OD2 3.48Å; R787-D831 IonicContact NH2-OD1 2.7Å; R787-D831 IonicContact NH2-OD2 3.11Å; R787-D831 PolarHBondContact NH2-OD2 3.12Å; K829-D831 HydrophobicContact CD-CB 4.4Å; K829-D831 HydrophobicContact CG-CB 4Å; K829-D831 PolarHBondContact O-N 3.32Å
832	N	93.9	Very high	93.3	Very high	14 Å²	14	33.7 Å²	33.7	8%	0.075	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-100.8	20.1	-179.5	-66.7	2.1	0	0	0	112.5	D827 K829 C845	D827-N832 PolarHBondContact O-ND2 3.41Å; D827-N832 PolarHBondContact OD2-ND2 2.86Å; K829-N832 WeakPolarHBondContact CE-ND2 3.47Å; K829-N832 WeakPolarHBondContact CE-OD1 3.18Å; K829-N832 HydrophobicContact CG-CB 4.09Å; K829-N832 PolarHBondContact O-N 3.13Å; N832-C845 PolarHBondContact O-N 3.17Å; N832-C845 VanDerWaalsContact O-N 3.12Å; N832-C845 PolarHBondContact O-SG 2.87Å
833	I	95.5	Very high	93.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	113	173.7	-58.5	157.2	0	0	0	107.6	N785 L786 L811 I828 K829 L842 L844 T890	N785-I833 CarbonylContact C-O 3.44Å; N785-I833 VanDerWaalsContact CA-O 3.3Å; N785-I833 WeakPolarHBondContact CA-O 3.49Å; L786-I833 HydrophobicContact CD1-CB 3.76Å; L786-I833 HydrophobicContact CD1-CD1 4.19Å; L786-I833 HydrophobicContact CD1-CG2 3.4Å; L786-I833 VanDerWaalsContact CD1-CG2 3.4Å; L786-I833 HydrophobicContact CG-CB 4.13Å; L786-I833 HydrophobicContact CG-CG2 3.93Å; L786-I833 PolarHBondContact N-O 2.86Å; L811-I833 HydrophobicContact CD1-CD1 4.35Å; L811-I833 HydrophobicContact CD2-CD1 3.74Å; L811-I833 HydrophobicContact CD2-CG1 4.1Å; L811-I833 HydrophobicContact CD2-CG2 4.35Å; I828-I833 HydrophobicContact CG2-CD1 4.22Å; K829-I833 WeakPolarHBondContact O-CD1 3.32Å; K829-I833 WeakPolarHBondContact O-CG1 3.38Å; K829-I833 PolarHBondContact O-N 3.41Å; I833-L842 HydrophobicContact CG2-CB 3.91Å; I833-L842 HydrophobicContact CG2-CD1 4.04Å; I833-L842 HydrophobicContact CG2-CD2 4.14Å; I833-L842 HydrophobicContact CG2-CG 4.26Å; I833-L844 HydrophobicContact CG1-CD1 3.98Å; I833-T890 HydrophobicContact CD1-CG2 3.82Å
834	L	94.5	Very high	93.5	Very high	39 Å²	39	31.6 Å²	31.6	20%	0.204	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	152.8	-178.8	-68.3	169.8	0	0	0	110.7	L782 M784 N785 L842 K843 C845	L782-L834 HydrophobicContact CB-CB 4.02Å; L782-L834 HydrophobicContact CB-CD1 4.29Å; L782-L834 HydrophobicContact CD1-CB 3.55Å; L782-L834 HydrophobicContact CD1-CD1 3.86Å; L782-L834 HydrophobicContact CD1-CG 4.36Å; L782-L834 HydrophobicContact CG-CB 4.4Å; M784-L834 WeakPolarHBondContact O-CA 3.36Å; N785-L834 HydrophobicContact CB-CD2 4Å; L834-L842 CarbonylContact O-C 3.38Å; L834-L842 WeakPolarHBondContact O-CA 3.4Å; L834-L842 WeakPolarHBondContact O-CB 3.48Å; L834-K843 PolarHBondContact N-O 3.01Å; L834-K843 PolarHBondContact O-N 3.12Å; L834-C845 HydrophobicContact CD1-CB 3.98Å; L834-C845 HydrophobicContact CG-CB 4.46Å
835	V	94.5	Very high	93.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	151.4	173.9	-66.1	0	0	0	0	112.4	S783 M784 L786 V789 Y807 K839 I841 L842	S783-V835 WeakPolarHBondContact CB-O 3.4Å; S783-V835 PolarHBondContact N-O 2.76Å; M784-V835 HydrophobicContact CG-CG2 3.91Å; M784-V835 WeakPolarHBondContact O-CG2 3.27Å; M784-V835 PolarHBondContact O-N 3.11Å; L786-V835 HydrophobicContact CD2-CG1 3.47Å; L786-V835 VanDerWaalsContact CD2-CG1 3.47Å; L786-V835 HydrophobicContact CG-CG1 4.18Å; V789-V835 HydrophobicContact CG2-CG2 3.8Å; Y807-V835 HydrophobicContact CE1-CG1 4.47Å; V835-K839 HydrophobicContact CG2-CG 4.22Å; V835-I841 WeakPolarHBondContact CA-O 3.09Å; V835-L842 HydrophobicContact CG1-CB 4.02Å
836	N	93.3	Very high	93.1	Very high	33 Å²	33	33.6 Å²	33.6	18%	0.176	18%	0.177	C	C	.	.			trans	-67.8	168.4	169.3	71.2	-8.9	0	0	0	111.9	S838 K839 T840 I841	N836-S838 VanDerWaalsContact C-N 3.26Å; N836-S838 PolarHBondContact ND2-OG 2.79Å; N836-S838 PolarHBondContact O-N 2.78Å; N836-S838 PolarHBondContact OD1-OG 2.71Å; N836-K839 PolarHBondContact O-N 2.66Å; N836-K839 WeakPolarHBondContact OD1-CA 3.26Å; N836-K839 PolarHBondContact OD1-N 2.62Å; N836-T840 PolarHBondContact ND2-OG1 3.3Å; N836-T840 PolarHBondContact OD1-N 2.8Å; N836-T840 PolarHBondContact OD1-OG1 3.44Å; N836-I841 PolarHBondContact N-O 3.36Å; N836-I841 PolarHBondContact OD1-N 2.96Å; N836-I841 VanDerWaalsContact OD1-N 3.1Å; N836-I841 PolarHBondContact OD1-O 3.24Å
837	E	90.1	Very high	93	Very high	170 Å²	170	33.7 Å²	33.7	79%	0.794	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-37.1	-176.7	-58.1	-171.6	145.7	0	0	113.6	K839	E837-K839 VanDerWaalsContact C-N 3.25Å; E837-K839 PolarHBondContact O-N 2.91Å
838	S	89.6	Confident	92.6	Very high	75 Å²	75	34 Å²	34	52%	0.524	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.6	177.7	61.4	0	0	0	0	113.9	N836 T840	N836-S838 VanDerWaalsContact C-N 3.26Å; N836-S838 PolarHBondContact ND2-OG 2.79Å; N836-S838 PolarHBondContact O-N 2.78Å; N836-S838 PolarHBondContact OD1-OG 2.71Å; S838-T840 PolarHBondContact O-N 3.05Å; S838-T840 PolarHBondContact OG-OG1 2.96Å
839	K	92.1	Very high	92.2	Very high	76 Å²	76	36 Å²	36	33%	0.33	20%	0.197	S	C	.	.	S	Bend	trans	55.4	36.5	-178	-51.1	172.4	-171.3	170.2	0	112.4	Y807 V835 N836 E837	Y807-K839 PolarHBondContact OH-O 2.96Å; V835-K839 HydrophobicContact CG2-CG 4.22Å; N836-K839 PolarHBondContact O-N 2.66Å; N836-K839 WeakPolarHBondContact OD1-CA 3.26Å; N836-K839 PolarHBondContact OD1-N 2.62Å; E837-K839 VanDerWaalsContact C-N 3.25Å; E837-K839 PolarHBondContact O-N 2.91Å
840	T	90.3	Very high	92.1	Very high	73 Å²	73	34.8 Å²	34.8	45%	0.448	19%	0.194	S	C	.	.	S	Bend	trans	-104.4	-36.6	179.3	51.9	0	0	0	0	111.7	Q810 N836 S838	Q810-T840 PolarHBondContact NE2-O 2.92Å; N836-T840 PolarHBondContact ND2-OG1 3.3Å; N836-T840 PolarHBondContact OD1-N 2.8Å; N836-T840 PolarHBondContact OD1-OG1 3.44Å; S838-T840 PolarHBondContact O-N 3.05Å; S838-T840 PolarHBondContact OG-OG1 2.96Å
841	I	93.3	Very high	91.9	Very high	74 Å²	74	35.7 Å²	35.7	38%	0.379	20%	0.201	S	C	.	.			trans	-113.5	129.6	-178.7	-57.6	172.9	0	0	0	108	Q810 V835 N836	Q810-I841 VanDerWaalsContact OE1-CA 3.31Å; V835-I841 WeakPolarHBondContact CA-O 3.09Å; N836-I841 PolarHBondContact N-O 3.36Å; N836-I841 PolarHBondContact OD1-N 2.96Å; N836-I841 VanDerWaalsContact OD1-N 3.1Å; N836-I841 PolarHBondContact OD1-O 3.24Å
842	L	95.4	Very high	91.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	156.7	165.5	69.6	80.6	0	0	0	111.2	H761 Y807 Q810 L811 I833 L834 V835	H761-L842 HydrophobicContact CB-CD1 4.35Å; H761-L842 PolarHBondContact ND1-O 2.85Å; H761-L842 VanDerWaalsContact ND1-O 3.12Å; Y807-L842 HydrophobicContact CD1-CD2 3.76Å; Y807-L842 HydrophobicContact CD1-CG 4.49Å; Y807-L842 HydrophobicContact CG-CD2 3.72Å; Q810-L842 HydrophobicContact CB-CD1 3.87Å; Q810-L842 HydrophobicContact CB-CD2 4.07Å; Q810-L842 HydrophobicContact CB-CG 3.71Å; L811-L842 HydrophobicContact CD2-CD1 3.92Å; L811-L842 HydrophobicContact CD2-CD2 4.29Å; L811-L842 HydrophobicContact CG-CD1 4.2Å; L811-L842 HydrophobicContact CG-CD2 3.94Å; I833-L842 HydrophobicContact CG2-CB 3.91Å; I833-L842 HydrophobicContact CG2-CD1 4.04Å; I833-L842 HydrophobicContact CG2-CD2 4.14Å; I833-L842 HydrophobicContact CG2-CG 4.26Å; L834-L842 CarbonylContact O-C 3.38Å; L834-L842 WeakPolarHBondContact O-CA 3.4Å; L834-L842 WeakPolarHBondContact O-CB 3.48Å; V835-L842 HydrophobicContact CG1-CB 4.02Å
843	K	95.6	Very high	91.4	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.022	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	133.5	168.8	-62.5	-60.9	-171.9	97.3	0	109.5	D758 H761 C762 E780 L782 L834	D758-K843 IonicContact OD1-NZ 3.24Å; D758-K843 PolarHBondContact OD1-NZ 3.25Å; D758-K843 WeakPolarHBondContact OD2-CE 3.38Å; D758-K843 IonicContact OD2-NZ 3.27Å; D758-K843 PolarHBondContact OD2-NZ 2.66Å; H761-K843 CarbonylContact O-C 3.5Å; H761-K843 WeakPolarHBondContact O-CA 3.27Å; C762-K843 PolarHBondContact O-NZ 3.04Å; E780-K843 IonicContact OE1-NZ 3.57Å; E780-K843 PolarHBondContact OE1-NZ 3.37Å; E780-K843 IonicContact OE2-NZ 2.74Å; E780-K843 PolarHBondContact OE2-NZ 3.4Å; L782-K843 HydrophobicContact CD1-CB 3.73Å; L782-K843 HydrophobicContact CD1-CG 3.84Å; L782-K843 HydrophobicContact CD2-CG 4.27Å; L834-K843 PolarHBondContact N-O 3.01Å; L834-K843 PolarHBondContact O-N 3.12Å
844	L	96	Very high	90.9	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	131.8	169	-175.6	63.9	0	0	0	109.5	H761 L763 A814 L818 I828 I833	H761-L844 PolarHBondContact O-N 3.42Å; L763-L844 WeakPolarHBondContact CB-O 3.36Å; L763-L844 PolarHBondContact N-O 2.85Å; A814-L844 HydrophobicContact CB-CB 4.21Å; A814-L844 HydrophobicContact CB-CD2 4.12Å; L818-L844 HydrophobicContact CD1-CD2 3.71Å; I828-L844 HydrophobicContact CD1-CD2 4.24Å; I828-L844 HydrophobicContact CG1-CD1 4.2Å; I828-L844 HydrophobicContact CG1-CD2 4.5Å; I828-L844 HydrophobicContact CG2-CD1 4.27Å; I833-L844 HydrophobicContact CG1-CD1 3.98Å
845	C	92.4	Very high	90.2	Very high	11 Å²	11	42.2 Å²	42.2	7%	0.074	25%	0.249	C	C	.	.			trans	-138.5	171.4	-173.8	67.7	0	0	0	0	113	L763 H825 N832 L834	L763-C845 HydrophobicContact CB-CB 4.15Å; L763-C845 HydrophobicContact CD2-CB 3.76Å; L763-C845 HydrophobicContact CG-CB 4.44Å; H825-C845 PolarHBondContact NE2-O 3.24Å; H825-C845 VanDerWaalsContact NE2-O 3.11Å; N832-C845 PolarHBondContact O-N 3.17Å; N832-C845 VanDerWaalsContact O-N 3.12Å; N832-C845 PolarHBondContact O-SG 2.87Å; L834-C845 HydrophobicContact CD1-CB 3.98Å; L834-C845 HydrophobicContact CG-CB 4.46Å
846	D	88.4	Confident	89.3	Confident	32 Å²	32	44.2 Å²	44.2	17%	0.171	26%	0.259	C	S	.	.			trans	69.6	72.9	179.8	-160.4	27	0	0	0	113.8	K729 G848	K729-D846 IonicContact NZ-OD1 2.69Å; K729-D846 PolarHBondContact NZ-OD1 2.94Å; D846-G848 PolarHBondContact O-N 3.02Å
847	F	89.9	Confident	88.6	Confident	1 Å²	1	48.4 Å²	48.4	0%	0.004	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-84.2	15.8	177.4	-60.6	-85.3	0	0	0	112.6	E744 L748 L751 C762 L818 H825 S849 A850	E744-F847 HydrophobicContact CG-CB 4.12Å; E744-F847 PolarHBondContact OE1-N 2.74Å; L748-F847 HydrophobicContact CD2-CD2 3.53Å; L748-F847 HydrophobicContact CD2-CE2 3.64Å; L748-F847 HydrophobicContact CG-CD2 3.86Å; L748-F847 HydrophobicContact CG-CE2 4.44Å; L751-F847 HydrophobicContact CD1-CD1 4.06Å; L751-F847 HydrophobicContact CD1-CE1 3.57Å; L751-F847 HydrophobicContact CD1-CE2 4.13Å; L751-F847 HydrophobicContact CD1-CZ 3.6Å; C762-F847 HydrophobicContact CB-CZ 4.38Å; L818-F847 HydrophobicContact CD2-CE1 3.76Å; H825-F847 AromaticContact CD2-CD1 3.8Å; H825-F847 AromaticContact CD2-CE1 3.54Å; F847-S849 PolarHBondContact O-N 2.69Å; F847-A850 HydrophobicContact CB-CB 3.96Å; F847-A850 HydrophobicContact CD1-CB 4.2Å; F847-A850 VanDerWaalsContact O-CB 3.24Å; F847-A850 WeakPolarHBondContact O-CB 3.28Å; F847-A850 PolarHBondContact O-N 3.11Å; F847-A850 VanDerWaalsContact O-N 3.08Å
848	G	85.4	Confident	88.2	Confident	18 Å²	18	43.1 Å²	43.1	19%	0.186	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-66.1	-20.5	176.3	0	0	0	0	0	114.2	T740 D846	T740-G848 WeakPolarHBondContact CG2-O 3.49Å; D846-G848 PolarHBondContact O-N 3.02Å
849	S	87.4	Confident	88.1	Confident	43 Å²	43	42.4 Å²	42.4	30%	0.301	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-100.8	4.4	171.3	-61.3	0	0	0	0	113.5	F847	F847-S849 PolarHBondContact O-N 2.69Å
850	A	90.4	Very high	87.7	Confident	11 Å²	11	39.6 Å²	39.6	9%	0.091	24%	0.24	C	C	.	.			trans	-73.2	150.8	-175.7	0	0	0	0	0	112	F747 I823 L824 F847	F747-A850 HydrophobicContact CD2-CB 3.69Å; F747-A850 HydrophobicContact CE2-CB 3.81Å; F747-A850 VanDerWaalsContact CE2-O 3.26Å; F747-A850 WeakPolarHBondContact CE2-O 3.34Å; F747-A850 HydrophobicContact CG-CB 4.44Å; I823-A850 HydrophobicContact CG2-CB 4.17Å; L824-A850 WeakPolarHBondContact O-CA 2.99Å; L824-A850 WeakPolarHBondContact O-CB 3.39Å; F847-A850 HydrophobicContact CB-CB 3.96Å; F847-A850 HydrophobicContact CD1-CB 4.2Å; F847-A850 VanDerWaalsContact O-CB 3.24Å; F847-A850 WeakPolarHBondContact O-CB 3.28Å; F847-A850 PolarHBondContact O-N 3.11Å; F847-A850 VanDerWaalsContact O-N 3.08Å
851	S	90	Very high	87.6	Confident	19 Å²	19	44.2 Å²	44.2	13%	0.133	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	162.3	176.9	69.4	0	0	0	0	111.8	L824	L824-S851 PolarHBondContact N-O 2.95Å; L824-S851 PolarHBondContact O-N 2.83Å; L824-S851 VanDerWaalsContact O-N 3.14Å
852	H	88.9	Confident	87.3	Confident	35 Å²	35	42.3 Å²	42.3	16%	0.162	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	146.6	164.8	-85.9	-46.3	0	0	0	110.7	F747 R750 S822 A854 D855	F747-H852 AromaticContact CE1-CD2 3.88Å; F747-H852 AromaticContact CE1-CE1 3.78Å; F747-H852 AromaticContact CE1-NE2 3.71Å; R750-H852 PolarHBondContact NH1-CE1 3.44Å; R750-H852 PolarHBondContact NH1-NE2 2.78Å; S822-H852 PolarHBondContact O-ND1 2.87Å; H852-A854 PolarHBondContact O-N 2.85Å; H852-D855 PolarHBondContact O-N 2.8Å
853	V	86.4	Confident	87.1	Confident	36 Å²	36	42.8 Å²	42.8	22%	0.218	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.5	176.8	174.5	0	0	0	0	113.2	S822 L824 N856 Y880	S822-V853 PolarHBondContact O-N 3.2Å; L824-V853 HydrophobicContact CD1-CG2 4.03Å; L824-V853 HydrophobicContact CD2-CG2 3.62Å; L824-V853 HydrophobicContact CG-CG2 3.55Å; V853-N856 PolarHBondContact O-ND2 3.48Å; V853-Y880 HydrophobicContact CG2-CD1 4.1Å; V853-Y880 HydrophobicContact CG2-CE1 3.48Å; V853-Y880 VanDerWaalsContact CG2-CE1 3.48Å; V853-Y880 HydrophobicContact CG2-CE2 4.15Å
854	A	84.6	Confident	86.9	Confident	92 Å²	92	44.2 Å²	44.2	76%	0.76	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-33.4	169.2	0	0	0	0	0	111.9	H852 N856	H852-A854 PolarHBondContact O-N 2.85Å; A854-N856 VanDerWaalsContact C-N 3.27Å; A854-N856 PolarHBondContact O-N 3.14Å
855	D	81.3	Confident	86.8	Confident	82 Å²	82	49.5 Å²	49.5	44%	0.439	28%	0.275	S	S	.	.	S	Bend	trans	-94	43.3	-172	-52.2	-17.5	0	0	0	110.9	H852 D857	H852-D855 PolarHBondContact O-N 2.8Å; D855-D857 VanDerWaalsContact C-N 3.33Å; D855-D857 PolarHBondContact O-N 3.11Å
856	N	74.5	Confident	87	Confident	42 Å²	42	52.2 Å²	52.2	23%	0.225	29%	0.285	C	S	.	.			trans	-78.8	74.9	-173.2	-83.6	-15.8	0	0	0	112.4	L824 V853 A854 I858 Y878	L824-N856 WeakPolarHBondContact CD1-OD1 3.41Å; V853-N856 PolarHBondContact O-ND2 3.48Å; A854-N856 VanDerWaalsContact C-N 3.27Å; A854-N856 PolarHBondContact O-N 3.14Å; N856-I858 PolarHBondContact O-N 3.02Å; N856-Y878 HydrophobicContact CB-CE2 4.25Å; N856-Y878 PolarHBondContact ND2-O 2.67Å; N856-Y878 VanDerWaalsContact OD1-CE2 3.27Å; N856-Y878 WeakPolarHBondContact OD1-CE2 3.06Å
857	D	78.7	Confident	87.4	Confident	120 Å²	120	51 Å²	51	64%	0.642	28%	0.278	S	S	*	.			trans	-63	117.7	172.2	-70.1	-32.9	0	0	0	110.8	D855 T859 Y878	D855-D857 VanDerWaalsContact C-N 3.33Å; D855-D857 PolarHBondContact O-N 3.11Å; D857-T859 HydrophobicContact CB-CG2 4.31Å; D857-T859 PolarHBondContact O-N 3.39Å; D857-Y878 PolarHBondContact N-OH 3.41Å; D857-Y878 WeakPolarHBondContact O-CE1 3.48Å; D857-Y878 PolarHBondContact O-OH 2.7Å
858	I	81.7	Confident	87.6	Confident	60 Å²	60	51.8 Å²	51.8	31%	0.308	28%	0.281	S	S	.	.			trans	-77	89.2	-177.4	-54.6	174	0	0	0	109.8	N856 P877 L929 F930	N856-I858 PolarHBondContact O-N 3.02Å; I858-P877 HydrophobicContact CD1-CG 4.3Å; I858-L929 HydrophobicContact CB-CD1 4.24Å; I858-L929 HydrophobicContact CD1-CD1 3.79Å; I858-L929 HydrophobicContact CG2-CD1 3.95Å; I858-F930 HydrophobicContact CG2-CE2 4.08Å; I858-F930 HydrophobicContact CG2-CZ 4.46Å
859	T	86.4	Confident	88.1	Confident	60 Å²	60	51 Å²	51	37%	0.368	27%	0.272	S	S	.	.			trans	-119	131.9	179	62.5	0	0	0	0	111.1	D857 Y861 I872	D857-T859 HydrophobicContact CB-CG2 4.31Å; D857-T859 PolarHBondContact O-N 3.39Å; T859-Y861 PolarHBondContact O-N 2.97Å; T859-Y861 VanDerWaalsContact O-N 3.15Å; T859-I872 WeakPolarHBondContact O-CG2 3.32Å
860	P	84.3	Confident	88.5	Confident	17 Å²	17	49 Å²	49	11%	0.11	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	4.9	-177.7	32.1	-32.7	0	0	0	113.4	R868 N906 F930	P860-R868 PolarHBondContact O-NH1 3.32Å; P860-R868 VanDerWaalsContact O-NH1 3.15Å; P860-N906 PolarHBondContact O-ND2 3.35Å; P860-F930 HydrophobicContact CB-CD2 3.74Å; P860-F930 HydrophobicContact CB-CE2 3.81Å; P860-F930 HydrophobicContact CG-CD2 4.06Å; P860-F930 HydrophobicContact CG-CE2 3.8Å; P860-F930 HydrophobicContact CG-CZ 4.19Å
861	Y	87.8	Confident	88.7	Confident	170 Å²	170	48.5 Å²	48.5	67%	0.667	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	-0.3	-175.2	-60	-62.3	0	0	0	114.3	T859 R868	T859-Y861 PolarHBondContact O-N 2.97Å; T859-Y861 VanDerWaalsContact O-N 3.15Å; Y861-R868 VanDerWaalsContact C-NH2 3.32Å; Y861-R868 PolarHBondContact O-NH2 2.98Å
862	L	87.7	Confident	88.9	Confident	33 Å²	33	47.7 Å²	47.7	17%	0.173	25%	0.249	C	C	.	.			trans	-59.5	148.9	169.1	-166.6	67.8	0	0	0	110.8	A826 R868 I872 Y878 I882	A826-L862 HydrophobicContact CB-CD1 3.91Å; A826-L862 HydrophobicContact CB-CD2 4.08Å; A826-L862 HydrophobicContact CB-CG 3.98Å; L862-R868 WeakPolarHBondContact O-CD 3.4Å; L862-R868 PolarHBondContact O-NE 2.95Å; L862-I872 HydrophobicContact CB-CG2 4.03Å; L862-I872 HydrophobicContact CD2-CD1 4.05Å; L862-Y878 HydrophobicContact CD2-CE1 4.38Å; L862-Y878 HydrophobicContact CD2-CE2 3.79Å; L862-I882 HydrophobicContact CD2-CD1 4.2Å
863	V	90.3	Very high	89.1	Confident	10 Å²	10	46.1 Å²	46.1	6%	0.061	24%	0.242	C	C	.	.	S	Bend	trans	65.5	138.6	-174.1	-157.2	0	0	0	0	114.6	A826 R865 R868	A826-V863 WeakPolarHBondContact O-CA 3.21Å; A826-V863 WeakPolarHBondContact O-CB 3.49Å; A826-V863 VanDerWaalsContact O-CG2 3.27Å; A826-V863 WeakPolarHBondContact O-CG2 3.11Å; A826-V863 PolarHBondContact O-N 3.42Å; V863-R865 PolarHBondContact O-N 2.94Å; V863-R868 HydrophobicContact CB-CB 4.21Å; V863-R868 HydrophobicContact CB-CG 4.37Å; V863-R868 PolarHBondContact O-NE 2.85Å; V863-R868 VanDerWaalsContact O-NE 3.12Å; V863-R868 PolarHBondContact O-NH2 2.86Å
864	S	93.1	Very high	89.4	Confident	36 Å²	36	44.4 Å²	44.4	25%	0.252	23%	0.231	S	C	.	.			trans	-50.9	126.4	166.7	-69.7	0	0	0	0	111.6	D827 K829 F866 Y867 R868	D827-S864 WeakPolarHBondContact OD1-CB 3.13Å; D827-S864 PolarHBondContact OD1-N 2.93Å; D827-S864 PolarHBondContact OD1-OG 2.9Å; K829-S864 WeakPolarHBondContact CD-OG 3.24Å; K829-S864 PolarHBondContact NZ-OG 3.31Å; S864-F866 VanDerWaalsContact C-N 3.33Å; S864-F866 PolarHBondContact O-N 3.45Å; S864-Y867 PolarHBondContact O-N 3.41Å; S864-R868 PolarHBondContact O-N 2.95Å
865	R	94.1	Very high	89.8	Confident	112 Å²	112	40 Å²	40	42%	0.423	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-43.4	-47.9	-165.2	-171.1	-173.1	-62.3	117.2	-0.8	115.2	V863 Y867 R868 G903 M909	V863-R865 PolarHBondContact O-N 2.94Å; R865-Y867 PolarHBondContact O-N 3.02Å; R865-R868 VanDerWaalsContact O-CB 3.24Å; R865-R868 WeakPolarHBondContact O-CB 3.41Å; R865-R868 PolarHBondContact O-N 2.84Å; R865-G903 WeakPolarHBondContact CD-O 3.47Å; R865-M909 HydrophobicContact CG-CG 3.82Å; R865-M909 HydrophobicContact CG-SD 4.31Å; R865-M909 WeakPolarHBondContact O-CE 3.01Å
866	F	95.6	Very high	90.3	Very high	68 Å²	68	37.9 Å²	37.9	30%	0.298	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-68.9	-19.4	-175.2	-52	-42.9	0	0	0	114.5	S864 I899 F901 G903 M909	S864-F866 VanDerWaalsContact C-N 3.33Å; S864-F866 PolarHBondContact O-N 3.45Å; F866-I899 HydrophobicContact CB-CG2 3.74Å; F866-I899 HydrophobicContact CD1-CG2 4.47Å; F866-I899 HydrophobicContact CD2-CD1 3.92Å; F866-I899 HydrophobicContact CD2-CG2 4.23Å; F866-I899 HydrophobicContact CE2-CD1 4.03Å; F866-I899 HydrophobicContact CG-CG2 3.92Å; F866-F901 WeakPolarHBondContact CD1-O 3.31Å; F866-G903 WeakPolarHBondContact CE1-O 3.15Å; F866-M909 HydrophobicContact CD1-SD 4.46Å
867	Y	96	Very high	91.1	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.027	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-105.2	-3	178	-49.9	-85.3	0	0	0	111.7	R787 K829 P830 S864 R865 S886 C889 E893	R787-Y867 PolarHBondContact NH2-OH 2.81Å; K829-Y867 HydrophobicContact CB-CD1 4.39Å; K829-Y867 HydrophobicContact CB-CD2 3.68Å; K829-Y867 HydrophobicContact CB-CE1 4.3Å; K829-Y867 HydrophobicContact CB-CE2 3.55Å; K829-Y867 HydrophobicContact CB-CG 4.13Å; P830-Y867 VanDerWaalsContact CD-OH 3.31Å; P830-Y867 WeakPolarHBondContact CD-OH 3.33Å; S864-Y867 PolarHBondContact O-N 3.41Å; R865-Y867 PolarHBondContact O-N 3.02Å; Y867-S886 PolarHBondContact O-OG 2.75Å; Y867-C889 HydrophobicContact CD1-CB 3.79Å; Y867-C889 HydrophobicContact CE1-CB 4.43Å; Y867-E893 VanDerWaalsContact CE1-OE2 3.31Å; Y867-E893 WeakPolarHBondContact CE1-OE2 3.49Å; Y867-E893 VanDerWaalsContact CZ-OE2 3.32Å; Y867-E893 PolarHBondContact OH-OE1 3.21Å; Y867-E893 PolarHBondContact OH-OE2 3.44Å
868	R	95.6	Very high	91.7	Very high	17 Å²	17	34.4 Å²	34.4	6%	0.064	17%	0.167	C	C	.	.			trans	-64.6	132	-176.8	-171.2	175.6	-66.5	163	-2	111.8	P860 Y861 L862 V863 S864 R865 I872 I873 W885 N906	P860-R868 PolarHBondContact O-NH1 3.32Å; P860-R868 VanDerWaalsContact O-NH1 3.15Å; Y861-R868 VanDerWaalsContact C-NH2 3.32Å; Y861-R868 PolarHBondContact O-NH2 2.98Å; L862-R868 WeakPolarHBondContact O-CD 3.4Å; L862-R868 PolarHBondContact O-NE 2.95Å; V863-R868 HydrophobicContact CB-CB 4.21Å; V863-R868 HydrophobicContact CB-CG 4.37Å; V863-R868 PolarHBondContact O-NE 2.85Å; V863-R868 VanDerWaalsContact O-NE 3.12Å; V863-R868 PolarHBondContact O-NH2 2.86Å; S864-R868 PolarHBondContact O-N 2.95Å; R865-R868 VanDerWaalsContact O-CB 3.24Å; R865-R868 WeakPolarHBondContact O-CB 3.41Å; R865-R868 PolarHBondContact O-N 2.84Å; R868-I872 HydrophobicContact CG-CB 3.94Å; R868-I872 HydrophobicContact CG-CG2 3.86Å; R868-I873 HydrophobicContact CG-CD1 4.29Å; R868-I873 HydrophobicContact CG-CG1 3.81Å; R868-W885 PolarHBondContact O-NE1 2.87Å; R868-W885 VanDerWaalsContact O-NE1 3.08Å; R868-N906 PolarHBondContact NH1-OD1 2.67Å
869	A	95.6	Very high	92.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.			trans	-78.4	146.9	178.7	0	0	0	0	0	111.9	E871 I872 I882 W885	A869-E871 VanDerWaalsContact C-N 3.28Å; A869-E871 VanDerWaalsContact CB-CD 3.49Å; A869-E871 HydrophobicContact CB-CG 4.48Å; A869-E871 WeakPolarHBondContact CB-OE1 3.33Å; A869-E871 WeakPolarHBondContact CB-OE2 3.49Å; A869-E871 PolarHBondContact O-N 3.1Å; A869-I872 HydrophobicContact CB-CG1 4.5Å; A869-I872 WeakPolarHBondContact O-CB 3.49Å; A869-I872 PolarHBondContact O-N 3.15Å; A869-I872 VanDerWaalsContact O-N 3.11Å; A869-I882 HydrophobicContact CB-CB 4.24Å; A869-I882 HydrophobicContact CB-CG2 4.15Å; A869-W885 HydrophobicContact CB-CB 3.93Å; A869-W885 HydrophobicContact CB-CD2 4.35Å; A869-W885 HydrophobicContact CB-CG 3.76Å
870	P	94.9	Very high	92.5	Very high	3 Å²	3	34 Å²	34	2%	0.019	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-29.6	-173.9	21.8	-32.7	0	0	0	114.3	I873 I874 W885 M920 M924 L998	P870-I873 PolarHBondContact O-N 2.92Å; P870-I874 WeakPolarHBondContact O-CG1 3.19Å; P870-I874 PolarHBondContact O-N 2.91Å; P870-I874 VanDerWaalsContact O-N 3.08Å; P870-W885 HydrophobicContact CG-CE3 4.45Å; P870-W885 HydrophobicContact CG-CH2 4.16Å; P870-W885 HydrophobicContact CG-CZ2 4.48Å; P870-W885 HydrophobicContact CG-CZ3 4.11Å; P870-M920 HydrophobicContact CB-CE 3.78Å; P870-M924 HydrophobicContact CB-CE 4Å; P870-M924 HydrophobicContact CG-CE 4.07Å; P870-L998 HydrophobicContact CG-CD2 4.2Å
871	E	94.4	Very high	93	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.2	-35	175.1	64.1	-84.6	-152.3	0	0	113.2	A869 G875 K876 I882 M924 R1003	A869-E871 VanDerWaalsContact C-N 3.28Å; A869-E871 VanDerWaalsContact CB-CD 3.49Å; A869-E871 HydrophobicContact CB-CG 4.48Å; A869-E871 WeakPolarHBondContact CB-OE1 3.33Å; A869-E871 WeakPolarHBondContact CB-OE2 3.49Å; A869-E871 PolarHBondContact O-N 3.1Å; E871-G875 PolarHBondContact O-N 2.79Å; E871-G875 VanDerWaalsContact O-N 3.09Å; E871-K876 HydrophobicContact CB-CB 4.08Å; E871-K876 HydrophobicContact CB-CD 4.18Å; E871-K876 PolarHBondContact O-N 3.09Å; E871-I882 HydrophobicContact CG-CG2 4.18Å; E871-I882 WeakPolarHBondContact OE1-CG2 3.48Å; E871-M924 HydrophobicContact CB-CE 4Å; E871-R1003 VanDerWaalsContact CD-NH2 3.35Å; E871-R1003 IonicContact OE1-CZ 4Å; E871-R1003 IonicContact OE1-NH1 3.41Å; E871-R1003 PolarHBondContact OE1-NH1 3.37Å; E871-R1003 IonicContact OE1-NH2 2.68Å; E871-R1003 PolarHBondContact OE1-NH2 3.24Å; E871-R1003 IonicContact OE2-CZ 3.47Å; E871-R1003 IonicContact OE2-NH1 3.85Å; E871-R1003 IonicContact OE2-NH2 2.64Å; E871-R1003 PolarHBondContact OE2-NH2 3.1Å
872	I	94	Very high	93.4	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-63.2	-47.7	173.5	-61.9	-57.3	0	0	0	109.1	T859 L862 R868 A869 I874 G875 Y878 I882	T859-I872 WeakPolarHBondContact O-CG2 3.32Å; L862-I872 HydrophobicContact CB-CG2 4.03Å; L862-I872 HydrophobicContact CD2-CD1 4.05Å; R868-I872 HydrophobicContact CG-CB 3.94Å; R868-I872 HydrophobicContact CG-CG2 3.86Å; A869-I872 HydrophobicContact CB-CG1 4.5Å; A869-I872 WeakPolarHBondContact O-CB 3.49Å; A869-I872 PolarHBondContact O-N 3.15Å; A869-I872 VanDerWaalsContact O-N 3.11Å; I872-I874 PolarHBondContact O-N 2.8Å; I872-G875 PolarHBondContact O-N 2.91Å; I872-G875 VanDerWaalsContact O-N 3.07Å; I872-Y878 HydrophobicContact CD1-CD1 3.33Å; I872-Y878 HydrophobicContact CD1-CD2 4.01Å; I872-Y878 HydrophobicContact CD1-CE1 3.82Å; I872-Y878 HydrophobicContact CD1-CE2 4.42Å; I872-Y878 HydrophobicContact CD1-CG 3.44Å; I872-Y878 VanDerWaalsContact CD1-CG 3.44Å; I872-I882 HydrophobicContact CD1-CD1 4.49Å; I872-I882 HydrophobicContact CD1-CG2 3.97Å; I872-I882 HydrophobicContact CG1-CG2 4.07Å
873	I	94.3	Very high	93.7	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-64.6	-43.7	-174.7	-54.3	174.8	0	0	0	111.3	R868 P870 G875 N906 M909 I910 H934	R868-I873 HydrophobicContact CG-CD1 4.29Å; R868-I873 HydrophobicContact CG-CG1 3.81Å; P870-I873 PolarHBondContact O-N 2.92Å; I873-G875 VanDerWaalsContact C-N 3.26Å; I873-G875 PolarHBondContact O-N 3.31Å; I873-N906 HydrophobicContact CG2-CB 3.64Å; I873-M909 HydrophobicContact CD1-CB 3.63Å; I873-M909 HydrophobicContact CD1-CG 4.47Å; I873-I910 HydrophobicContact CB-CD1 3.93Å; I873-I910 HydrophobicContact CB-CG1 4.17Å; I873-I910 HydrophobicContact CD1-CG1 4.09Å; I873-I910 HydrophobicContact CG2-CD1 3.47Å; I873-I910 VanDerWaalsContact CG2-CD1 3.47Å; I873-I910 HydrophobicContact CG2-CG1 3.92Å; I873-H934 WeakPolarHBondContact CG2-NE2 3.35Å
874	I	93.1	Very high	94	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-77.9	-7.1	176.2	70.1	178.5	0	0	0	113.4	P870 I872 K876 I910 M920 M924 G928 L929 F930 F935	P870-I874 WeakPolarHBondContact O-CG1 3.19Å; P870-I874 PolarHBondContact O-N 2.91Å; P870-I874 VanDerWaalsContact O-N 3.08Å; I872-I874 PolarHBondContact O-N 2.8Å; I874-K876 HydrophobicContact CD1-CB 3.94Å; I874-K876 HydrophobicContact CG1-CB 3.93Å; I874-I910 HydrophobicContact CG2-CD1 3.76Å; I874-M920 HydrophobicContact CD1-SD 3.9Å; I874-M920 HydrophobicContact CG2-CE 4.07Å; I874-M920 HydrophobicContact CG2-SD 4.08Å; I874-M924 HydrophobicContact CD1-CE 3.73Å; I874-M924 HydrophobicContact CD1-CG 3.6Å; I874-M924 HydrophobicContact CD1-SD 4.49Å; I874-G928 CarbonylContact O-C 3.49Å; I874-G928 WeakPolarHBondContact O-CA 3.37Å; I874-L929 PolarHBondContact O-N 2.79Å; I874-L929 VanDerWaalsContact O-N 3.09Å; I874-F930 PolarHBondContact O-N 2.83Å; I874-F935 HydrophobicContact CG2-CE2 4.11Å
875	G	91.9	Very high	94.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	40.3	-175.8	0	0	0	0	0	113.8	E871 I872 I873 L929 F930	E871-G875 PolarHBondContact O-N 2.79Å; E871-G875 VanDerWaalsContact O-N 3.09Å; I872-G875 PolarHBondContact O-N 2.91Å; I872-G875 VanDerWaalsContact O-N 3.07Å; I873-G875 VanDerWaalsContact C-N 3.26Å; I873-G875 PolarHBondContact O-N 3.31Å; G875-L929 PolarHBondContact O-N 3.28Å; G875-F930 VanDerWaalsContact CA-CD2 3.42Å
876	K	92.8	Very high	94.3	Very high	36 Å²	36	17.1 Å²	17.1	16%	0.157	9%	0.086	C	C	.	.			trans	-87.4	140.8	168.5	173.4	-163	162.6	-69.2	0	108.2	E871 I874 Y878 M924 K927	E871-K876 HydrophobicContact CB-CB 4.08Å; E871-K876 HydrophobicContact CB-CD 4.18Å; E871-K876 PolarHBondContact O-N 3.09Å; I874-K876 HydrophobicContact CD1-CB 3.94Å; I874-K876 HydrophobicContact CG1-CB 3.93Å; K876-Y878 PolarHBondContact O-N 3.32Å; K876-M924 HydrophobicContact CD-CG 4.29Å; K876-K927 HydrophobicContact CG-CB 4.23Å
877	P	90.7	Very high	94.3	Very high	77 Å²	77	13.9 Å²	13.9	50%	0.5	7%	0.072	S	C	.	.			trans	-48.6	128.9	170.7	-28.5	34.9	0	0	0	112.3	I858	I858-P877 HydrophobicContact CD1-CG 4.3Å
878	Y	91.6	Very high	94.3	Very high	13 Å²	13	13.6 Å²	13.6	5%	0.051	7%	0.071	C	C	.	.			trans	-115.8	170.8	-170.2	57.2	-96.6	0	0	0	112	L824 N856 D857 L862 I872 K876 I882	L824-Y878 HydrophobicContact CD1-CD2 3.91Å; L824-Y878 HydrophobicContact CD1-CE2 3.72Å; N856-Y878 HydrophobicContact CB-CE2 4.25Å; N856-Y878 PolarHBondContact ND2-O 2.67Å; N856-Y878 VanDerWaalsContact OD1-CE2 3.27Å; N856-Y878 WeakPolarHBondContact OD1-CE2 3.06Å; D857-Y878 PolarHBondContact N-OH 3.41Å; D857-Y878 WeakPolarHBondContact O-CE1 3.48Å; D857-Y878 PolarHBondContact O-OH 2.7Å; L862-Y878 HydrophobicContact CD2-CE1 4.38Å; L862-Y878 HydrophobicContact CD2-CE2 3.79Å; I872-Y878 HydrophobicContact CD1-CD1 3.33Å; I872-Y878 HydrophobicContact CD1-CD2 4.01Å; I872-Y878 HydrophobicContact CD1-CE1 3.82Å; I872-Y878 HydrophobicContact CD1-CE2 4.42Å; I872-Y878 HydrophobicContact CD1-CG 3.44Å; I872-Y878 VanDerWaalsContact CD1-CG 3.44Å; K876-Y878 PolarHBondContact O-N 3.32Å; Y878-I882 HydrophobicContact CD2-CD1 3.95Å; Y878-I882 HydrophobicContact CD2-CG2 4.43Å; Y878-I882 HydrophobicContact CE2-CD1 4.34Å; Y878-I882 HydrophobicContact CG-CG2 4.38Å
879	D	92.2	Very high	94.3	Very high	67 Å²	67	12.8 Å²	12.8	36%	0.358	7%	0.068	S	C	.	.			trans	-154.7	-164	-178.7	71.9	-9.8	0	0	0	109.9	S881 I882	D879-S881 PolarHBondContact O-N 3.45Å; D879-S881 WeakPolarHBondContact OD1-CB 3.39Å; D879-S881 PolarHBondContact OD1-N 2.85Å; D879-S881 PolarHBondContact OD1-OG 2.97Å; D879-I882 WeakPolarHBondContact O-CG1 3.39Å; D879-I882 PolarHBondContact O-N 3.09Å; D879-I882 VanDerWaalsContact O-N 3.11Å
880	Y	93.3	Very high	94.4	Very high	44 Å²	44	12.8 Å²	12.8	17%	0.173	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-14.6	177.5	-44.3	-81.1	0	0	0	115	K819 S822 L824 V853 I882 D883 M884	K819-Y880 HydrophobicContact CB-CD1 4.01Å; K819-Y880 HydrophobicContact CB-CE1 4.26Å; K819-Y880 HydrophobicContact CB-CG 4.24Å; K819-Y880 HydrophobicContact CD-CD2 4.12Å; K819-Y880 HydrophobicContact CD-CG 4.27Å; K819-Y880 HydrophobicContact CG-CD1 4.11Å; K819-Y880 HydrophobicContact CG-CD2 4Å; K819-Y880 HydrophobicContact CG-CE1 4.19Å; K819-Y880 HydrophobicContact CG-CE2 4.08Å; K819-Y880 HydrophobicContact CG-CG 4Å; S822-Y880 WeakPolarHBondContact CA-OH 3.36Å; L824-Y880 HydrophobicContact CD2-CD1 3.81Å; L824-Y880 HydrophobicContact CD2-CE1 4.4Å; L824-Y880 HydrophobicContact CD2-CG 4.24Å; V853-Y880 HydrophobicContact CG2-CD1 4.1Å; V853-Y880 HydrophobicContact CG2-CE1 3.48Å; V853-Y880 VanDerWaalsContact CG2-CE1 3.48Å; V853-Y880 HydrophobicContact CG2-CE2 4.15Å; Y880-I882 PolarHBondContact O-N 2.84Å; Y880-D883 PolarHBondContact O-N 2.89Å; Y880-M884 PolarHBondContact O-N 3.48Å
881	S	94.1	Very high	94.4	Very high	13 Å²	13	12.7 Å²	12.7	9%	0.091	7%	0.067	C	C	.	.	H	α-helix	trans	-68.1	-18.1	177	68.6	0	0	0	0	113.7	D879 M884 W885 P1000 R1003	D879-S881 PolarHBondContact O-N 3.45Å; D879-S881 WeakPolarHBondContact OD1-CB 3.39Å; D879-S881 PolarHBondContact OD1-N 2.85Å; D879-S881 PolarHBondContact OD1-OG 2.97Å; S881-M884 WeakPolarHBondContact O-CB 3.5Å; S881-M884 PolarHBondContact O-N 2.93Å; S881-W885 PolarHBondContact O-N 2.92Å; S881-P1000 WeakPolarHBondContact OG-CB 3.43Å; S881-R1003 VanDerWaalsContact C-NH1 3.34Å; S881-R1003 PolarHBondContact O-NH1 3.37Å
882	I	95.1	Very high	94.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-66.4	-39.2	173.8	70.4	-177.8	0	0	0	111.5	L824 A826 L862 A869 E871 I872 Y878 D879 Y880 W885 S886	L824-I882 HydrophobicContact CD1-CD1 4.17Å; A826-I882 HydrophobicContact CB-CD1 4.31Å; L862-I882 HydrophobicContact CD2-CD1 4.2Å; A869-I882 HydrophobicContact CB-CB 4.24Å; A869-I882 HydrophobicContact CB-CG2 4.15Å; E871-I882 HydrophobicContact CG-CG2 4.18Å; E871-I882 WeakPolarHBondContact OE1-CG2 3.48Å; I872-I882 HydrophobicContact CD1-CD1 4.49Å; I872-I882 HydrophobicContact CD1-CG2 3.97Å; I872-I882 HydrophobicContact CG1-CG2 4.07Å; Y878-I882 HydrophobicContact CD2-CD1 3.95Å; Y878-I882 HydrophobicContact CD2-CG2 4.43Å; Y878-I882 HydrophobicContact CE2-CD1 4.34Å; Y878-I882 HydrophobicContact CG-CG2 4.38Å; D879-I882 WeakPolarHBondContact O-CG1 3.39Å; D879-I882 PolarHBondContact O-N 3.09Å; D879-I882 VanDerWaalsContact O-N 3.11Å; Y880-I882 PolarHBondContact O-N 2.84Å; I882-W885 PolarHBondContact O-N 2.98Å; I882-S886 WeakPolarHBondContact O-CB 3.45Å; I882-S886 PolarHBondContact O-N 2.99Å; I882-S886 PolarHBondContact O-OG 3.48Å
883	D	95.8	Very high	94.4	Very high	3 Å²	3	13 Å²	13	2%	0.016	7%	0.068	C	C	.	.	H	α-helix	trans	-71.5	-35	177.8	-71.8	-25.8	0	0	0	110.2	L815 H825 A826 I828 Y880 S886 V887	L815-D883 HydrophobicContact CD2-CB 3.74Å; H825-D883 PolarHBondContact N-OD2 2.8Å; A826-D883 PolarHBondContact N-OD1 2.84Å; I828-D883 HydrophobicContact CD1-CB 3.65Å; Y880-D883 PolarHBondContact O-N 2.89Å; D883-S886 PolarHBondContact O-N 2.97Å; D883-V887 WeakPolarHBondContact O-CG2 3.16Å; D883-V887 PolarHBondContact O-N 2.93Å
884	M	95.8	Very high	94.4	Very high	6 Å²	6	12.9 Å²	12.9	3%	0.03	7%	0.068	C	C	.	.	H	α-helix	trans	-62.2	-42.3	171.8	-175.8	59.5	70.9	0	0	112.5	F812 L815 Y880 S881 G888 T995 I1004 I1006 A1009	F812-M884 HydrophobicContact CD1-CE 4.22Å; F812-M884 HydrophobicContact CD1-SD 4.24Å; F812-M884 HydrophobicContact CE1-CE 4.12Å; F812-M884 HydrophobicContact CE1-SD 3.58Å; F812-M884 VanDerWaalsContact CE1-SD 3.58Å; F812-M884 HydrophobicContact CZ-SD 4.32Å; L815-M884 HydrophobicContact CD1-CB 4.42Å; L815-M884 HydrophobicContact CD1-CE 3.84Å; L815-M884 HydrophobicContact CD1-SD 4.22Å; Y880-M884 PolarHBondContact O-N 3.48Å; S881-M884 WeakPolarHBondContact O-CB 3.5Å; S881-M884 PolarHBondContact O-N 2.93Å; M884-G888 PolarHBondContact O-N 3.2Å; M884-T995 HydrophobicContact CG-CG2 4.24Å; M884-T995 HydrophobicContact SD-CG2 3.71Å; M884-I1004 HydrophobicContact SD-CG2 4.27Å; M884-I1006 HydrophobicContact CE-CB 4.22Å; M884-I1006 HydrophobicContact CE-CG1 3.5Å; M884-I1006 VanDerWaalsContact CE-CG1 3.5Å; M884-A1009 HydrophobicContact CE-CB 4.43Å
885	W	96.4	Very high	94.4	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.008	7%	0.071	C	C	.	.	H	α-helix	trans	-64.3	-44.9	174.2	174.6	-82.2	0	0	0	111.5	R868 A869 P870 S881 I882 V887 G888 C889 F901 A913 L996 L998	R868-W885 PolarHBondContact O-NE1 2.87Å; R868-W885 VanDerWaalsContact O-NE1 3.08Å; A869-W885 HydrophobicContact CB-CB 3.93Å; A869-W885 HydrophobicContact CB-CD2 4.35Å; A869-W885 HydrophobicContact CB-CG 3.76Å; P870-W885 HydrophobicContact CG-CE3 4.45Å; P870-W885 HydrophobicContact CG-CH2 4.16Å; P870-W885 HydrophobicContact CG-CZ2 4.48Å; P870-W885 HydrophobicContact CG-CZ3 4.11Å; S881-W885 PolarHBondContact O-N 2.92Å; I882-W885 PolarHBondContact O-N 2.98Å; W885-V887 VanDerWaalsContact C-N 3.32Å; W885-V887 PolarHBondContact O-N 3.15Å; W885-G888 WeakPolarHBondContact O-CA 3.48Å; W885-G888 PolarHBondContact O-N 2.86Å; W885-C889 PolarHBondContact O-N 2.65Å; W885-F901 HydrophobicContact CH2-CE2 4.04Å; W885-F901 HydrophobicContact CH2-CZ 4.31Å; W885-F901 HydrophobicContact CZ2-CD2 4.09Å; W885-F901 AromaticContact CZ2-CE2 3.43Å; W885-F901 HydrophobicContact CZ2-CE2 3.43Å; W885-F901 VanDerWaalsContact CZ2-CE2 3.43Å; W885-F901 HydrophobicContact CZ2-CZ 4.12Å; W885-A913 HydrophobicContact CH2-CB 4.06Å; W885-A913 HydrophobicContact CZ2-CB 4.27Å; W885-L996 HydrophobicContact CD2-CD2 4.03Å; W885-L996 HydrophobicContact CE3-CB 4.49Å; W885-L996 HydrophobicContact CE3-CD2 4.05Å; W885-L996 HydrophobicContact CH2-CD2 4.35Å; W885-L996 HydrophobicContact CZ2-CD2 4.35Å; W885-L996 HydrophobicContact CZ3-CB 4.16Å; W885-L996 HydrophobicContact CZ3-CD2 4.22Å; W885-L996 VanDerWaalsContact CZ3-O 3.32Å; W885-L996 WeakPolarHBondContact CZ3-O 3.46Å; W885-L998 HydrophobicContact CH2-CD2 4.03Å; W885-L998 HydrophobicContact CZ3-CD2 4.27Å
886	S	96.7	Very high	94.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.2	-39.6	178.8	-55.6	0	0	0	0	112.2	Y867 I882 D883 T890	Y867-S886 PolarHBondContact O-OG 2.75Å; I882-S886 WeakPolarHBondContact O-CB 3.45Å; I882-S886 PolarHBondContact O-N 2.99Å; I882-S886 PolarHBondContact O-OG 3.48Å; D883-S886 PolarHBondContact O-N 2.97Å; S886-T890 WeakPolarHBondContact O-CB 3.42Å; S886-T890 PolarHBondContact O-N 3.03Å; S886-T890 PolarHBondContact O-OG1 3.42Å
887	V	96.5	Very high	94.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.2	-45.3	169.7	169.8	0	0	0	0	111	L811 F812 L815 I828 D883 W885 C889 T890 L891	L811-V887 HydrophobicContact CB-CG1 4.29Å; L811-V887 HydrophobicContact CB-CG2 4.42Å; L811-V887 HydrophobicContact CD1-CG1 4.32Å; F812-V887 HydrophobicContact CD1-CG1 4.17Å; F812-V887 HydrophobicContact CE1-CB 4.48Å; F812-V887 HydrophobicContact CE1-CG1 3.59Å; F812-V887 HydrophobicContact CZ-CG1 4.3Å; L815-V887 HydrophobicContact CD1-CB 4.49Å; L815-V887 HydrophobicContact CD1-CG2 3.99Å; L815-V887 HydrophobicContact CD2-CG2 4.24Å; L815-V887 HydrophobicContact CG-CG2 4.25Å; I828-V887 HydrophobicContact CD1-CG2 4.15Å; I828-V887 HydrophobicContact CG2-CG2 4.03Å; D883-V887 WeakPolarHBondContact O-CG2 3.16Å; D883-V887 PolarHBondContact O-N 2.93Å; W885-V887 VanDerWaalsContact C-N 3.32Å; W885-V887 PolarHBondContact O-N 3.15Å; V887-C889 PolarHBondContact O-N 2.9Å; V887-T890 CarbonylContact O-C 3.59Å; V887-T890 WeakPolarHBondContact O-CA 3.23Å; V887-T890 WeakPolarHBondContact O-CB 3.19Å; V887-T890 PolarHBondContact O-N 2.91Å; V887-L891 HydrophobicContact CG1-CD1 3.96Å; V887-L891 HydrophobicContact CG1-CG 3.97Å; V887-L891 VanDerWaalsContact O-CG 3.32Å; V887-L891 WeakPolarHBondContact O-CG 3.34Å; V887-L891 PolarHBondContact O-N 2.82Å
888	G	95.6	Very high	94.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-53.4	-48.2	175.9	0	0	0	0	0	113.7	M884 W885 L891 Y892 T995	M884-G888 PolarHBondContact O-N 3.2Å; W885-G888 WeakPolarHBondContact O-CA 3.48Å; W885-G888 PolarHBondContact O-N 2.86Å; G888-L891 PolarHBondContact O-N 3Å; G888-Y892 PolarHBondContact O-N 2.89Å; G888-T995 VanDerWaalsContact CA-OG1 3.26Å; G888-T995 WeakPolarHBondContact CA-OG1 3.5Å
889	C	96.3	Very high	94.5	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.007	8%	0.084	C	C	.	.	H	α-helix	trans	-60.3	-44.2	173.3	-67.8	0	0	0	0	112.3	Y867 W885 V887 E893	Y867-C889 HydrophobicContact CD1-CB 3.79Å; Y867-C889 HydrophobicContact CE1-CB 4.43Å; W885-C889 PolarHBondContact O-N 2.65Å; V887-C889 PolarHBondContact O-N 2.9Å; C889-E893 PolarHBondContact O-N 2.76Å
890	T	95.9	Very high	94.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63.9	-40.2	178.4	-62.1	0	0	0	0	112.1	P830 I833 S886 V887 E893 L894	P830-T890 HydrophobicContact CG-CG2 4.18Å; I833-T890 HydrophobicContact CD1-CG2 3.82Å; S886-T890 WeakPolarHBondContact O-CB 3.42Å; S886-T890 PolarHBondContact O-N 3.03Å; S886-T890 PolarHBondContact O-OG1 3.42Å; V887-T890 CarbonylContact O-C 3.59Å; V887-T890 WeakPolarHBondContact O-CA 3.23Å; V887-T890 WeakPolarHBondContact O-CB 3.19Å; V887-T890 PolarHBondContact O-N 2.91Å; T890-E893 PolarHBondContact O-N 3.05Å; T890-L894 HydrophobicContact CG2-CD1 3.9Å; T890-L894 HydrophobicContact CG2-CG 4.22Å; T890-L894 WeakPolarHBondContact O-CB 3.37Å; T890-L894 VanDerWaalsContact O-CG 3.25Å; T890-L894 WeakPolarHBondContact O-CG 3.41Å; T890-L894 PolarHBondContact O-N 2.94Å
891	L	95.3	Very high	94.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-66.2	-40.4	179.7	-69.2	-178.4	0	0	0	112.8	T808 L811 F812 V887 G888 E893 L894 Y895 L991 I992	T808-L891 HydrophobicContact CG2-CD1 3.76Å; T808-L891 HydrophobicContact CG2-CD2 4.38Å; T808-L891 WeakPolarHBondContact OG1-CD2 3.46Å; L811-L891 HydrophobicContact CD1-CD2 4.13Å; F812-L891 HydrophobicContact CZ-CD1 4.18Å; V887-L891 HydrophobicContact CG1-CD1 3.96Å; V887-L891 HydrophobicContact CG1-CG 3.97Å; V887-L891 VanDerWaalsContact O-CG 3.32Å; V887-L891 WeakPolarHBondContact O-CG 3.34Å; V887-L891 PolarHBondContact O-N 2.82Å; G888-L891 PolarHBondContact O-N 3Å; L891-E893 VanDerWaalsContact C-N 3.32Å; L891-L894 HydrophobicContact CD2-CD1 4.35Å; L891-L894 PolarHBondContact O-N 3.2Å; L891-Y895 PolarHBondContact O-N 3.46Å; L891-L991 HydrophobicContact CD1-CD2 4.47Å; L891-I992 HydrophobicContact CB-CD1 4.45Å; L891-I992 HydrophobicContact CB-CG1 4.39Å
892	Y	95	Very high	94.6	Very high	6 Å²	6	14 Å²	14	2%	0.024	8%	0.078	C	C	.	.	H	α-helix	trans	-59.6	-45.7	172.6	172.6	-86.4	0	0	0	111.1	G888 Y895 T896 K898 L900 L967 D970 M971	G888-Y892 PolarHBondContact O-N 2.89Å; Y892-Y895 PolarHBondContact O-N 3.15Å; Y892-T896 HydrophobicContact CD2-CG2 4.27Å; Y892-T896 HydrophobicContact CE1-CG2 4.24Å; Y892-T896 VanDerWaalsContact CE1-OG1 3.32Å; Y892-T896 WeakPolarHBondContact CE1-OG1 3.32Å; Y892-T896 HydrophobicContact CE2-CG2 3.96Å; Y892-T896 WeakPolarHBondContact O-CB 3.47Å; Y892-T896 WeakPolarHBondContact O-CG2 3.3Å; Y892-T896 PolarHBondContact O-N 2.88Å; Y892-T896 PolarHBondContact O-OG1 2.9Å; Y892-K898 WeakPolarHBondContact CD1-O 3.46Å; Y892-K898 HydrophobicContact CE1-CB 4.33Å; Y892-K898 WeakPolarHBondContact CE1-O 3.44Å; Y892-L900 HydrophobicContact CD1-CB 3.51Å; Y892-L900 HydrophobicContact CD1-CD1 3.75Å; Y892-L900 HydrophobicContact CD1-CG 4.13Å; Y892-L900 HydrophobicContact CD2-CD1 3.75Å; Y892-L900 HydrophobicContact CE1-CB 3.99Å; Y892-L900 HydrophobicContact CE1-CD1 3.83Å; Y892-L900 HydrophobicContact CE2-CD1 3.81Å; Y892-L900 HydrophobicContact CG-CB 4.02Å; Y892-L900 HydrophobicContact CG-CD1 3.7Å; Y892-L900 HydrophobicContact CG-CD2 4.43Å; Y892-L900 HydrophobicContact CG-CG 4.24Å; Y892-L967 HydrophobicContact CD2-CD2 4.19Å; Y892-L967 HydrophobicContact CE2-CD2 4.12Å; Y892-D970 HydrophobicContact CE2-CB 4.29Å; Y892-D970 WeakPolarHBondContact OH-CB 3.45Å; Y892-M971 HydrophobicContact CD2-CG 4.01Å; Y892-M971 HydrophobicContact CD2-SD 4.47Å; Y892-M971 HydrophobicContact CE2-CG 3.94Å
893	E	94.8	Very high	94.5	Very high	3 Å²	3	14 Å²	14	1%	0.014	8%	0.078	C	C	.	.	H	α-helix	trans	-68.9	-37.1	-179.3	-178.5	171.6	-157.3	0	0	112.6	R787 L790 P830 Y867 C889 T890 L891 Y895 T896 G897 K898 I899	R787-E893 IonicContact CZ-OE1 2.71Å; R787-E893 IonicContact NH1-OE1 3.94Å; R787-E893 PolarHBondContact NH1-OE1 3.14Å; R787-E893 IonicContact NH2-OE1 2.66Å; L790-E893 HydrophobicContact CD1-CG 4.13Å; P830-E893 HydrophobicContact CG-CG 4.49Å; P830-E893 WeakPolarHBondContact CG-OE2 3.21Å; Y867-E893 VanDerWaalsContact CE1-OE2 3.31Å; Y867-E893 WeakPolarHBondContact CE1-OE2 3.49Å; Y867-E893 VanDerWaalsContact CZ-OE2 3.32Å; Y867-E893 PolarHBondContact OH-OE1 3.21Å; Y867-E893 PolarHBondContact OH-OE2 3.44Å; C889-E893 PolarHBondContact O-N 2.76Å; T890-E893 PolarHBondContact O-N 3.05Å; L891-E893 VanDerWaalsContact C-N 3.32Å; E893-Y895 VanDerWaalsContact C-N 3.26Å; E893-Y895 PolarHBondContact O-N 3.2Å; E893-T896 PolarHBondContact O-N 3.33Å; E893-G897 VanDerWaalsContact O-CA 3.25Å; E893-G897 WeakPolarHBondContact O-CA 3.37Å; E893-G897 PolarHBondContact O-N 3.14Å; E893-K898 VanDerWaalsContact CA-O 3.28Å; E893-K898 WeakPolarHBondContact CA-O 3.42Å; E893-K898 WeakPolarHBondContact CB-O 3.24Å; E893-I899 VanDerWaalsContact OE1-CG1 3.29Å; E893-I899 WeakPolarHBondContact OE1-CG1 3.34Å
894	L	93.9	Very high	94.2	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62	-34.7	173.9	-73.8	170.3	0	0	0	112.3	L786 L790 L799 V804 Y807 T890 L891	L786-L894 HydrophobicContact CB-CD2 4.01Å; L786-L894 HydrophobicContact CD1-CD1 4.03Å; L786-L894 HydrophobicContact CD1-CD2 3.75Å; L786-L894 HydrophobicContact CD2-CD2 4.3Å; L786-L894 HydrophobicContact CG-CD2 4.25Å; L790-L894 HydrophobicContact CD1-CD2 4.13Å; L790-L894 HydrophobicContact CG-CD2 4.38Å; L799-L894 VanDerWaalsContact CB-O 3.29Å; L799-L894 WeakPolarHBondContact CB-O 3.3Å; L799-L894 HydrophobicContact CD1-CB 4.38Å; L799-L894 HydrophobicContact CD1-CD2 3.8Å; L799-L894 WeakPolarHBondContact CG-O 3.46Å; L799-L894 PolarHBondContact N-O 3.42Å; V804-L894 HydrophobicContact CG2-CB 4.41Å; Y807-L894 HydrophobicContact CD2-CD1 4.46Å; T890-L894 HydrophobicContact CG2-CD1 3.9Å; T890-L894 HydrophobicContact CG2-CG 4.22Å; T890-L894 WeakPolarHBondContact O-CB 3.37Å; T890-L894 VanDerWaalsContact O-CG 3.25Å; T890-L894 WeakPolarHBondContact O-CG 3.41Å; T890-L894 PolarHBondContact O-N 2.94Å; L891-L894 HydrophobicContact CD2-CD1 4.35Å; L891-L894 PolarHBondContact O-N 3.2Å
895	Y	93.4	Very high	94	Very high	19 Å²	19	19.9 Å²	19.9	8%	0.075	12%	0.12	C	C	.	.	H	α-helix	trans	-83.8	-36.6	178.4	-176.6	-111.3	0	0	0	113.7	I801 V804 L891 Y892 E893 M971 V985 L988	I801-Y895 HydrophobicContact CB-CE2 4.14Å; I801-Y895 HydrophobicContact CD1-CD2 3.87Å; I801-Y895 HydrophobicContact CD1-CE2 3.93Å; V804-Y895 HydrophobicContact CG2-CD2 4.14Å; L891-Y895 PolarHBondContact O-N 3.46Å; Y892-Y895 PolarHBondContact O-N 3.15Å; E893-Y895 VanDerWaalsContact C-N 3.26Å; E893-Y895 PolarHBondContact O-N 3.2Å; Y895-M971 HydrophobicContact CD1-CB 4.14Å; Y895-M971 HydrophobicContact CD1-CE 3.68Å; Y895-M971 HydrophobicContact CD1-CG 4.25Å; Y895-M971 HydrophobicContact CE1-CB 3.99Å; Y895-M971 HydrophobicContact CE1-CE 4.19Å; Y895-M971 VanDerWaalsContact CE1-O 3.27Å; Y895-M971 WeakPolarHBondContact CE1-O 3.47Å; Y895-M971 HydrophobicContact CG-CE 4.46Å; Y895-V985 HydrophobicContact CE1-CG1 4.22Å; Y895-V985 HydrophobicContact CE1-CG2 3.9Å; Y895-V985 HydrophobicContact CE2-CG2 4.17Å; Y895-V985 VanDerWaalsContact OH-CG2 3.23Å; Y895-V985 WeakPolarHBondContact OH-CG2 3.49Å; Y895-L988 HydrophobicContact CD1-CD2 4.39Å; Y895-L988 HydrophobicContact CD2-CD2 4.49Å; Y895-L988 HydrophobicContact CG-CD2 4.03Å
896	T	91.4	Very high	93.9	Very high	10 Å²	10	20.7 Å²	20.7	6%	0.061	12%	0.124	C	C	.	.	H	α-helix	trans	-100.3	-15	-173.3	61.8	0	0	0	0	114.9	D796 Y892 E893 K898 M971	D796-T896 CarbonylContact C-O 3.52Å; Y892-T896 HydrophobicContact CD2-CG2 4.27Å; Y892-T896 HydrophobicContact CE1-CG2 4.24Å; Y892-T896 VanDerWaalsContact CE1-OG1 3.32Å; Y892-T896 WeakPolarHBondContact CE1-OG1 3.32Å; Y892-T896 HydrophobicContact CE2-CG2 3.96Å; Y892-T896 WeakPolarHBondContact O-CB 3.47Å; Y892-T896 WeakPolarHBondContact O-CG2 3.3Å; Y892-T896 PolarHBondContact O-N 2.88Å; Y892-T896 PolarHBondContact O-OG1 2.9Å; E893-T896 PolarHBondContact O-N 3.33Å; T896-K898 PolarHBondContact O-N 3.26Å; T896-K898 PolarHBondContact OG1-N 3.15Å; T896-K898 PolarHBondContact OG1-O 3.4Å; T896-M971 HydrophobicContact CG2-CB 4.42Å; T896-M971 HydrophobicContact CG2-CG 4Å
897	G	91.2	Very high	93.7	Very high	23 Å²	23	20.9 Å²	20.9	24%	0.237	13%	0.126	C	C	.	.	S	Bend	trans	69.2	6.5	-167.9	0	0	0	0	0	114.5	E893	E893-G897 VanDerWaalsContact O-CA 3.25Å; E893-G897 WeakPolarHBondContact O-CA 3.37Å; E893-G897 PolarHBondContact O-N 3.14Å
898	K	92.1	Very high	93.5	Very high	88 Å²	88	23.6 Å²	23.6	38%	0.383	14%	0.138	S	C	.	.	S	Bend	trans	-118.5	139.2	-173.9	-67.3	175.4	-179.4	175.3	0	111.9	D796 Y892 E893 T896 L900	D796-K898 VanDerWaalsContact CB-CE 3.49Å; D796-K898 WeakPolarHBondContact OD1-CE 3.41Å; D796-K898 WeakPolarHBondContact OD1-CG 3.38Å; D796-K898 WeakPolarHBondContact OD2-CE 3.46Å; D796-K898 IonicContact OD2-NZ 3.08Å; Y892-K898 WeakPolarHBondContact CD1-O 3.46Å; Y892-K898 HydrophobicContact CE1-CB 4.33Å; Y892-K898 WeakPolarHBondContact CE1-O 3.44Å; E893-K898 VanDerWaalsContact CA-O 3.28Å; E893-K898 WeakPolarHBondContact CA-O 3.42Å; E893-K898 WeakPolarHBondContact CB-O 3.24Å; T896-K898 PolarHBondContact O-N 3.26Å; T896-K898 PolarHBondContact OG1-N 3.15Å; T896-K898 PolarHBondContact OG1-O 3.4Å; K898-L900 PolarHBondContact O-N 3.15Å
899	I	93.7	Very high	93.5	Very high	57 Å²	57	23.8 Å²	23.8	29%	0.292	14%	0.139	S	C	.	.			trans	-62	129.1	170.3	-63.1	168.3	0	0	0	109	F866 E893 P902	F866-I899 HydrophobicContact CB-CG2 3.74Å; F866-I899 HydrophobicContact CD1-CG2 4.47Å; F866-I899 HydrophobicContact CD2-CD1 3.92Å; F866-I899 HydrophobicContact CD2-CG2 4.23Å; F866-I899 HydrophobicContact CE2-CD1 4.03Å; F866-I899 HydrophobicContact CG-CG2 3.92Å; E893-I899 VanDerWaalsContact OE1-CG1 3.29Å; E893-I899 WeakPolarHBondContact OE1-CG1 3.34Å; I899-P902 HydrophobicContact CG2-CB 4.35Å
900	L	93.3	Very high	93.4	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	14%	0.139	C	C	.	.	S	Bend	trans	-67.4	-44.8	-177.2	178.4	60.3	0	0	0	112.9	Y892 K898 K965 L967 L996	Y892-L900 HydrophobicContact CD1-CB 3.51Å; Y892-L900 HydrophobicContact CD1-CD1 3.75Å; Y892-L900 HydrophobicContact CD1-CG 4.13Å; Y892-L900 HydrophobicContact CD2-CD1 3.75Å; Y892-L900 HydrophobicContact CE1-CB 3.99Å; Y892-L900 HydrophobicContact CE1-CD1 3.83Å; Y892-L900 HydrophobicContact CE2-CD1 3.81Å; Y892-L900 HydrophobicContact CG-CB 4.02Å; Y892-L900 HydrophobicContact CG-CD1 3.7Å; Y892-L900 HydrophobicContact CG-CD2 4.43Å; Y892-L900 HydrophobicContact CG-CG 4.24Å; K898-L900 PolarHBondContact O-N 3.15Å; L900-K965 PolarHBondContact O-NZ 3.11Å; L900-L967 HydrophobicContact CD1-CD2 3.86Å; L900-L996 HydrophobicContact CD2-CD1 3.42Å; L900-L996 VanDerWaalsContact CD2-CD1 3.42Å; L900-L996 HydrophobicContact CD2-CD2 4.1Å; L900-L996 HydrophobicContact CD2-CG 4.41Å
901	F	95.2	Very high	93.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.			trans	-126.2	83.1	-177.7	-56.9	-55	0	0	0	110.2	F866 W885 G903 M909 L912 L916 L996	F866-F901 WeakPolarHBondContact CD1-O 3.31Å; W885-F901 HydrophobicContact CH2-CE2 4.04Å; W885-F901 HydrophobicContact CH2-CZ 4.31Å; W885-F901 HydrophobicContact CZ2-CD2 4.09Å; W885-F901 AromaticContact CZ2-CE2 3.43Å; W885-F901 HydrophobicContact CZ2-CE2 3.43Å; W885-F901 VanDerWaalsContact CZ2-CE2 3.43Å; W885-F901 HydrophobicContact CZ2-CZ 4.12Å; F901-G903 PolarHBondContact O-N 2.83Å; F901-M909 HydrophobicContact CB-CE 3.56Å; F901-M909 HydrophobicContact CB-SD 3.97Å; F901-M909 HydrophobicContact CD2-CE 4.42Å; F901-M909 HydrophobicContact CG-CE 4.35Å; F901-L912 HydrophobicContact CB-CB 4.43Å; F901-L912 HydrophobicContact CB-CD1 4.4Å; F901-L912 HydrophobicContact CD1-CB 3.84Å; F901-L912 WeakPolarHBondContact CE1-O 3.49Å; F901-L916 HydrophobicContact CE1-CB 4.39Å; F901-L916 HydrophobicContact CE1-CD2 4.18Å; F901-L916 HydrophobicContact CZ-CD2 3.83Å; F901-L996 HydrophobicContact CE2-CD2 4.17Å; F901-L996 HydrophobicContact CZ-CD1 4.45Å
902	P	94	Very high	93.2	Very high	74 Å²	74	26.3 Å²	26.3	48%	0.481	15%	0.151	S	C	.	.			trans	-78.4	58.4	177.8	33.8	-36.8	0	0	0	111.5	I899	I899-P902 HydrophobicContact CG2-CB 4.35Å
903	G	91.9	Very high	93.2	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.01	15%	0.152	C	C	.	.			trans	-76.6	126.8	-178.8	0	0	0	0	0	112.5	R865 F866 F901	R865-G903 WeakPolarHBondContact CD-O 3.47Å; F866-G903 WeakPolarHBondContact CE1-O 3.15Å; F901-G903 PolarHBondContact O-N 2.83Å
904	S	90.3	Very high	93.1	Very high	87 Å²	87	26.1 Å²	26.1	61%	0.608	15%	0.151	S	C	*	.	S	Bend	trans	-68.6	-39.3	175.6	49.7	0	0	0	0	112.7	H908	S904-H908 PolarHBondContact N-ND1 2.67Å; S904-H908 PolarHBondContact OG-ND1 3.34Å
905	S	91.9	Very high	93	Very high	45 Å²	45	27.2 Å²	27.2	32%	0.315	16%	0.157	S	C	.	.	S	Bend	trans	-125.5	167.9	179.8	71	0	0	0	0	111.9	N907 H908 M909	S905-N907 VanDerWaalsContact C-N 3.26Å; S905-N907 PolarHBondContact O-N 2.73Å; S905-H908 PolarHBondContact O-N 3.3Å; S905-H908 WeakPolarHBondContact OG-CB 3.4Å; S905-H908 PolarHBondContact OG-N 2.82Å; S905-H908 VanDerWaalsContact OG-N 3.1Å; S905-M909 WeakPolarHBondContact O-CG 3.24Å; S905-M909 PolarHBondContact O-N 3.47Å
906	N	92.9	Very high	92.9	Very high	18 Å²	18	26.9 Å²	26.9	10%	0.096	16%	0.157	C	C	.	.	H	α-helix	trans	-57.1	-40	172.1	-91.3	9.2	0	0	0	112	P860 R868 I873 M909 I910	P860-N906 PolarHBondContact O-ND2 3.35Å; R868-N906 PolarHBondContact NH1-OD1 2.67Å; I873-N906 HydrophobicContact CG2-CB 3.64Å; N906-M909 WeakPolarHBondContact O-CB 3.13Å; N906-M909 PolarHBondContact O-N 2.62Å; N906-I910 PolarHBondContact O-N 2.85Å
907	N	93	Very high	92.9	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.027	16%	0.164	C	C	.	.	H	α-helix	trans	-63	-45.9	174.4	-172.5	-92.4	0	0	0	111.8	S905 M909 I910 K911 H934 F941 L942 I944	S905-N907 VanDerWaalsContact C-N 3.26Å; S905-N907 PolarHBondContact O-N 2.73Å; N907-M909 VanDerWaalsContact C-N 3.34Å; N907-M909 PolarHBondContact O-N 3.34Å; N907-I910 PolarHBondContact O-N 2.95Å; N907-K911 PolarHBondContact O-N 3.06Å; N907-H934 PolarHBondContact ND2-ND1 3.25Å; N907-F941 WeakPolarHBondContact ND2-CZ 3.26Å; N907-F941 WeakPolarHBondContact O-CZ 3.32Å; N907-F941 WeakPolarHBondContact OD1-CZ 3.28Å; N907-L942 PolarHBondContact ND2-O 2.82Å; N907-L942 PolarHBondContact OD1-O 2.92Å; N907-I944 HydrophobicContact CB-CD1 4.48Å; N907-I944 PolarHBondContact OD1-N 3.21Å
908	H	93.6	Very high	93	Very high	56 Å²	56	28.1 Å²	28.1	26%	0.259	16%	0.157	S	C	.	.	H	α-helix	trans	-64.2	-36.3	177.8	-169.8	-176.4	0	0	0	112.1	S904 S905 I910 K911 L912	S904-H908 PolarHBondContact N-ND1 2.67Å; S904-H908 PolarHBondContact OG-ND1 3.34Å; S905-H908 PolarHBondContact O-N 3.3Å; S905-H908 WeakPolarHBondContact OG-CB 3.4Å; S905-H908 PolarHBondContact OG-N 2.82Å; S905-H908 VanDerWaalsContact OG-N 3.1Å; H908-I910 PolarHBondContact O-N 2.89Å; H908-K911 WeakPolarHBondContact O-CB 3.48Å; H908-K911 PolarHBondContact O-N 3.43Å; H908-L912 WeakPolarHBondContact O-CG 3.27Å; H908-L912 PolarHBondContact O-N 2.7Å
909	M	94.8	Very high	92.9	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.02	15%	0.151	C	C	.	.	H	α-helix	trans	-58.1	-46.1	171.6	-76	-62.7	-56	0	0	112.3	R865 F866 I873 F901 S905 N906 N907 L912 A913	R865-M909 HydrophobicContact CG-CG 3.82Å; R865-M909 HydrophobicContact CG-SD 4.31Å; R865-M909 WeakPolarHBondContact O-CE 3.01Å; F866-M909 HydrophobicContact CD1-SD 4.46Å; I873-M909 HydrophobicContact CD1-CB 3.63Å; I873-M909 HydrophobicContact CD1-CG 4.47Å; F901-M909 HydrophobicContact CB-CE 3.56Å; F901-M909 HydrophobicContact CB-SD 3.97Å; F901-M909 HydrophobicContact CD2-CE 4.42Å; F901-M909 HydrophobicContact CG-CE 4.35Å; S905-M909 WeakPolarHBondContact O-CG 3.24Å; S905-M909 PolarHBondContact O-N 3.47Å; N906-M909 WeakPolarHBondContact O-CB 3.13Å; N906-M909 PolarHBondContact O-N 2.62Å; N907-M909 VanDerWaalsContact C-N 3.34Å; N907-M909 PolarHBondContact O-N 3.34Å; M909-L912 PolarHBondContact O-N 3.34Å; M909-A913 WeakPolarHBondContact O-CB 3.38Å; M909-A913 PolarHBondContact O-N 2.76Å
910	I	94	Very high	92.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-62.9	-42.2	175.7	-75.2	174.8	0	0	0	111.2	I873 I874 N906 N907 H908 L912 A913 M914 M920 H934 F935 F941	I873-I910 HydrophobicContact CB-CD1 3.93Å; I873-I910 HydrophobicContact CB-CG1 4.17Å; I873-I910 HydrophobicContact CD1-CG1 4.09Å; I873-I910 HydrophobicContact CG2-CD1 3.47Å; I873-I910 VanDerWaalsContact CG2-CD1 3.47Å; I873-I910 HydrophobicContact CG2-CG1 3.92Å; I874-I910 HydrophobicContact CG2-CD1 3.76Å; N906-I910 PolarHBondContact O-N 2.85Å; N907-I910 PolarHBondContact O-N 2.95Å; H908-I910 PolarHBondContact O-N 2.89Å; I910-L912 PolarHBondContact O-N 2.8Å; I910-A913 PolarHBondContact O-N 3.34Å; I910-M914 HydrophobicContact CG2-CE 3.33Å; I910-M914 HydrophobicContact CG2-SD 4.33Å; I910-M914 WeakPolarHBondContact O-CG 3.41Å; I910-M914 PolarHBondContact O-N 3.09Å; I910-M920 HydrophobicContact CG2-CE 4.46Å; I910-H934 HydrophobicContact CD1-CB 4.36Å; I910-H934 WeakPolarHBondContact CD1-CD2 3.47Å; I910-F935 HydrophobicContact CG2-CZ 4.31Å; I910-F941 HydrophobicContact CB-CE2 4.13Å; I910-F941 HydrophobicContact CB-CZ 4.44Å; I910-F941 HydrophobicContact CG2-CD2 3.96Å; I910-F941 HydrophobicContact CG2-CE2 3.43Å; I910-F941 VanDerWaalsContact CG2-CE2 3.43Å; I910-F941 HydrophobicContact CG2-CZ 4.01Å
911	K	93.3	Very high	92.9	Very high	26 Å²	26	26.3 Å²	26.3	11%	0.113	15%	0.151	C	C	.	.	H	α-helix	trans	-56.7	-50.4	175.2	177.5	58.4	167.5	70.9	0	111.7	N907 H908 A913 M914 D915 F941 Y943 M958	N907-K911 PolarHBondContact O-N 3.06Å; H908-K911 WeakPolarHBondContact O-CB 3.48Å; H908-K911 PolarHBondContact O-N 3.43Å; K911-A913 VanDerWaalsContact C-N 3.33Å; K911-A913 PolarHBondContact O-N 3.34Å; K911-M914 CarbonylContact O-C 3.51Å; K911-M914 PolarHBondContact O-N 3.28Å; K911-M914 VanDerWaalsContact O-N 3.16Å; K911-D915 IonicContact NZ-OD1 3.64Å; K911-D915 PolarHBondContact NZ-OD1 3.19Å; K911-D915 IonicContact NZ-OD2 2.78Å; K911-D915 PolarHBondContact NZ-OD2 3.29Å; K911-D915 VanDerWaalsContact O-CG 3.31Å; K911-D915 PolarHBondContact O-N 3.46Å; K911-F941 HydrophobicContact CB-CE1 3.79Å; K911-F941 HydrophobicContact CB-CZ 4.01Å; K911-F941 HydrophobicContact CD-CD1 4.46Å; K911-F941 HydrophobicContact CD-CE1 3.98Å; K911-F941 HydrophobicContact CG-CE1 4.35Å; K911-Y943 HydrophobicContact CB-CD2 4.27Å; K911-Y943 HydrophobicContact CD-CD2 4.05Å; K911-Y943 HydrophobicContact CD-CE2 4.39Å; K911-Y943 HydrophobicContact CD-CG 4.33Å; K911-Y943 HydrophobicContact CG-CD2 3.82Å; K911-Y943 HydrophobicContact CG-CE2 3.9Å; K911-M958 HydrophobicContact CD-SD 4.28Å
912	L	93.8	Very high	92.8	Very high	28 Å²	28	29.6 Å²	29.6	15%	0.147	17%	0.169	C	C	.	.	H	α-helix	trans	-64.9	-35.1	-179.7	-67.1	170.3	0	0	0	112.8	F901 H908 M909 I910 D915 L916	F901-L912 HydrophobicContact CB-CB 4.43Å; F901-L912 HydrophobicContact CB-CD1 4.4Å; F901-L912 HydrophobicContact CD1-CB 3.84Å; F901-L912 WeakPolarHBondContact CE1-O 3.49Å; H908-L912 WeakPolarHBondContact O-CG 3.27Å; H908-L912 PolarHBondContact O-N 2.7Å; M909-L912 PolarHBondContact O-N 3.34Å; I910-L912 PolarHBondContact O-N 2.8Å; L912-D915 PolarHBondContact O-N 2.89Å; L912-L916 PolarHBondContact O-N 3.47Å
913	A	94.3	Very high	92.7	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.033	18%	0.182	C	C	.	.	H	α-helix	trans	-67.2	-38.5	173.5	0	0	0	0	0	112	W885 M909 I910 K911 L916 K917 L998	W885-A913 HydrophobicContact CH2-CB 4.06Å; W885-A913 HydrophobicContact CZ2-CB 4.27Å; M909-A913 WeakPolarHBondContact O-CB 3.38Å; M909-A913 PolarHBondContact O-N 2.76Å; I910-A913 PolarHBondContact O-N 3.34Å; K911-A913 VanDerWaalsContact C-N 3.33Å; K911-A913 PolarHBondContact O-N 3.34Å; A913-L916 PolarHBondContact O-N 3.04Å; A913-K917 PolarHBondContact O-N 2.88Å; A913-L998 HydrophobicContact CB-CD2 3.79Å
914	M	92.9	Very high	92.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-75.9	-26.6	174.9	-69	-169.7	-68.1	0	0	113.4	I910 K911 L916 G918 M920 F941 I961 L998	I910-M914 HydrophobicContact CG2-CE 3.33Å; I910-M914 HydrophobicContact CG2-SD 4.33Å; I910-M914 WeakPolarHBondContact O-CG 3.41Å; I910-M914 PolarHBondContact O-N 3.09Å; K911-M914 CarbonylContact O-C 3.51Å; K911-M914 PolarHBondContact O-N 3.28Å; K911-M914 VanDerWaalsContact O-N 3.16Å; M914-L916 PolarHBondContact O-N 2.71Å; M914-G918 WeakPolarHBondContact CA-O 3.32Å; M914-G918 WeakPolarHBondContact CB-O 3.23Å; M914-G918 WeakPolarHBondContact CG-O 3.3Å; M914-G918 CarbonylContact O-C 3.59Å; M914-G918 WeakPolarHBondContact O-CA 3.48Å; M914-G918 PolarHBondContact O-N 3.36Å; M914-M920 HydrophobicContact SD-CB 3.97Å; M914-M920 PolarHBondContact SD-N 3.3Å; M914-F941 HydrophobicContact CE-CB 3.82Å; M914-F941 HydrophobicContact CE-CD1 3.65Å; M914-F941 HydrophobicContact CE-CD2 3.38Å; M914-F941 HydrophobicContact CE-CE1 4.01Å; M914-F941 HydrophobicContact CE-CE2 3.79Å; M914-F941 HydrophobicContact CE-CG 3.31Å; M914-F941 HydrophobicContact CE-CZ 4.08Å; M914-I961 HydrophobicContact CB-CB 4.48Å; M914-I961 HydrophobicContact CB-CD1 4.11Å; M914-I961 HydrophobicContact CB-CG2 3.99Å; M914-I961 HydrophobicContact CE-CD1 3.52Å; M914-I961 HydrophobicContact SD-CD1 3.91Å; M914-L998 HydrophobicContact CG-CD1 4.19Å
915	D	92.3	Very high	92.9	Very high	22 Å²	22	30.5 Å²	30.5	12%	0.118	15%	0.154	C	C	.	.	H	α-helix	trans	-65.3	-21.9	170.5	-73.2	-33.3	0	0	0	112.4	K911 L912 P963 T964 K965	K911-D915 IonicContact NZ-OD1 3.64Å; K911-D915 PolarHBondContact NZ-OD1 3.19Å; K911-D915 IonicContact NZ-OD2 2.78Å; K911-D915 PolarHBondContact NZ-OD2 3.29Å; K911-D915 VanDerWaalsContact O-CG 3.31Å; K911-D915 PolarHBondContact O-N 3.46Å; L912-D915 PolarHBondContact O-N 2.89Å; D915-P963 CarbonylContact O-C 3.17Å; D915-P963 WeakPolarHBondContact O-CA 3.38Å; D915-T964 PolarHBondContact O-N 3.39Å; D915-K965 PolarHBondContact O-N 3.12Å
916	L	91.7	Very high	92.9	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.068	17%	0.167	C	C	.	.	H	α-helix	trans	-89.7	-50	173.2	174.9	60.6	0	0	0	113	F901 L912 A913 M914 L967 L996	F901-L916 HydrophobicContact CE1-CB 4.39Å; F901-L916 HydrophobicContact CE1-CD2 4.18Å; F901-L916 HydrophobicContact CZ-CD2 3.83Å; L912-L916 PolarHBondContact O-N 3.47Å; A913-L916 PolarHBondContact O-N 3.04Å; M914-L916 PolarHBondContact O-N 2.71Å; L916-L967 HydrophobicContact CD1-CD1 3.75Å; L916-L967 HydrophobicContact CD1-CD2 3.83Å; L916-L967 HydrophobicContact CD1-CG 3.46Å; L916-L967 VanDerWaalsContact CD1-CG 3.46Å; L916-L967 HydrophobicContact CD2-CD1 4.24Å; L916-L967 HydrophobicContact CD2-CD2 4.16Å; L916-L967 HydrophobicContact CD2-CG 4.43Å; L916-L996 HydrophobicContact CD2-CB 4.39Å; L916-L996 HydrophobicContact CD2-CD1 3.7Å
917	K	91.6	Very high	92.8	Very high	52 Å²	52	41.8 Å²	41.8	23%	0.226	19%	0.192	C	C	.	.	H	α-helix	trans	-103.3	-3.6	-170.7	-67.5	-56.4	-163.6	176.9	0	115.2	A913 D993 L996 L998	A913-K917 PolarHBondContact O-N 2.88Å; K917-D993 PolarHBondContact NZ-O 2.97Å; K917-D993 IonicContact NZ-OD1 3.28Å; K917-D993 PolarHBondContact NZ-OD1 3.3Å; K917-L996 WeakPolarHBondContact CE-O 3.49Å; K917-L996 WeakPolarHBondContact CG-O 3.45Å; K917-L998 HydrophobicContact CB-CD1 3.94Å; K917-L998 HydrophobicContact CB-CD2 4.27Å; K917-L998 HydrophobicContact CB-CG 3.78Å; K917-L998 HydrophobicContact CG-CD2 4.45Å; K917-L998 HydrophobicContact CG-CG 4.22Å
918	G	91.8	Very high	92.7	Very high	7 Å²	7	41.8 Å²	41.8	7%	0.072	19%	0.193	C	C	.	.			trans	79.2	-175.3	-168.4	0	0	0	0	0	112.5	M914 M920 I961 L998	M914-G918 WeakPolarHBondContact CA-O 3.32Å; M914-G918 WeakPolarHBondContact CB-O 3.23Å; M914-G918 WeakPolarHBondContact CG-O 3.3Å; M914-G918 CarbonylContact O-C 3.59Å; M914-G918 WeakPolarHBondContact O-CA 3.48Å; M914-G918 PolarHBondContact O-N 3.36Å; G918-M920 PolarHBondContact O-N 3.3Å; G918-I961 WeakPolarHBondContact CA-O 3.28Å; G918-L998 WeakPolarHBondContact O-CD1 3.44Å
919	K	91.2	Very high	92.6	Very high	61 Å²	61	44.4 Å²	44.4	27%	0.265	21%	0.209	S	C	.	.	S	Bend	trans	-54	135.5	-177.9	-175.7	173.7	-177.7	170.9	0	113	L939 S959 I961	K919-L939 WeakPolarHBondContact CE-O 3.47Å; K919-L939 PolarHBondContact NZ-O 3.09Å; K919-S959 WeakPolarHBondContact CD-O 3.25Å; K919-S959 PolarHBondContact NZ-O 2.78Å; K919-I961 PolarHBondContact N-O 3.06Å
920	M	93.3	Very high	92.4	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-58.8	139	175.5	-172.7	-179.3	-66.5	0	0	111.9	P870 I874 I910 M914 G918 N922 M924 I925 F935 L998	P870-M920 HydrophobicContact CB-CE 3.78Å; I874-M920 HydrophobicContact CD1-SD 3.9Å; I874-M920 HydrophobicContact CG2-CE 4.07Å; I874-M920 HydrophobicContact CG2-SD 4.08Å; I910-M920 HydrophobicContact CG2-CE 4.46Å; M914-M920 HydrophobicContact SD-CB 3.97Å; M914-M920 PolarHBondContact SD-N 3.3Å; G918-M920 PolarHBondContact O-N 3.3Å; M920-N922 PolarHBondContact O-N 3.43Å; M920-M924 HydrophobicContact CE-CE 4.12Å; M920-M924 HydrophobicContact CG-CB 4.26Å; M920-M924 HydrophobicContact CG-CG 4.14Å; M920-M924 HydrophobicContact CG-SD 3.76Å; M920-M924 HydrophobicContact SD-CB 4.48Å; M920-M924 HydrophobicContact SD-CE 3.95Å; M920-M924 HydrophobicContact SD-CG 3.89Å; M920-M924 HydrophobicContact SD-SD 3.82Å; M920-I925 HydrophobicContact CB-CD1 4.23Å; M920-I925 HydrophobicContact CB-CG1 4.14Å; M920-I925 HydrophobicContact CG-CG1 3.95Å; M920-I925 HydrophobicContact SD-CG1 3.83Å; M920-F935 HydrophobicContact CB-CZ 4.29Å; M920-F935 HydrophobicContact CE-CZ 4.42Å; M920-F935 HydrophobicContact SD-CE2 4.41Å; M920-F935 HydrophobicContact SD-CZ 4.14Å; M920-L998 HydrophobicContact CB-CD1 4.21Å
921	P	93.1	Very high	92.3	Very high	45 Å²	45	49.6 Å²	49.6	29%	0.292	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-61.4	132.4	-179	-25.6	35.5	0	0	0	113.4	K923 M924 I925 D999	P921-K923 PolarHBondContact O-N 3.26Å; P921-M924 HydrophobicContact CB-CB 4.45Å; P921-M924 WeakPolarHBondContact O-CA 3.48Å; P921-M924 WeakPolarHBondContact O-CB 3.25Å; P921-M924 PolarHBondContact O-N 2.88Å; P921-I925 PolarHBondContact O-N 2.74Å; P921-D999 HydrophobicContact CG-CB 4.45Å
922	N	92.6	Very high	92.1	Very high	69 Å²	69	53 Å²	53	37%	0.369	25%	0.251	S	S	.	.	H	α-helix	trans	-56.5	-25.8	179.7	-63.7	9.6	0	0	0	114.1	M920 M924 R926 L939	M920-N922 PolarHBondContact O-N 3.43Å; N922-M924 VanDerWaalsContact C-N 3.34Å; N922-R926 WeakPolarHBondContact O-CG 3.41Å; N922-R926 PolarHBondContact O-N 3.24Å; N922-R926 PolarHBondContact O-NH1 2.81Å; N922-L939 HydrophobicContact CB-CD1 3.71Å
923	K	92.4	Very high	91.9	Very high	176 Å²	176	56.7 Å²	56.7	77%	0.765	27%	0.267	S	S	*	.	H	α-helix	trans	-71.2	-27	173.5	-70.9	-170.6	177.9	-174.5	0	113.2	P921 K927	P921-K923 PolarHBondContact O-N 3.26Å; K923-K927 WeakPolarHBondContact O-CG 3.2Å
924	M	92.9	Very high	91.7	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-80.5	-47.6	176.3	178.3	175.1	175.8	0	0	110.5	P870 E871 I874 K876 M920 P921 N922 R926 K927 L998	P870-M924 HydrophobicContact CB-CE 4Å; P870-M924 HydrophobicContact CG-CE 4.07Å; E871-M924 HydrophobicContact CB-CE 4Å; I874-M924 HydrophobicContact CD1-CE 3.73Å; I874-M924 HydrophobicContact CD1-CG 3.6Å; I874-M924 HydrophobicContact CD1-SD 4.49Å; K876-M924 HydrophobicContact CD-CG 4.29Å; M920-M924 HydrophobicContact CE-CE 4.12Å; M920-M924 HydrophobicContact CG-CB 4.26Å; M920-M924 HydrophobicContact CG-CG 4.14Å; M920-M924 HydrophobicContact CG-SD 3.76Å; M920-M924 HydrophobicContact SD-CB 4.48Å; M920-M924 HydrophobicContact SD-CE 3.95Å; M920-M924 HydrophobicContact SD-CG 3.89Å; M920-M924 HydrophobicContact SD-SD 3.82Å; P921-M924 HydrophobicContact CB-CB 4.45Å; P921-M924 WeakPolarHBondContact O-CA 3.48Å; P921-M924 WeakPolarHBondContact O-CB 3.25Å; P921-M924 PolarHBondContact O-N 2.88Å; N922-M924 VanDerWaalsContact C-N 3.34Å; M924-R926 PolarHBondContact O-N 3.48Å; M924-K927 PolarHBondContact O-N 3.24Å; M924-L998 WeakPolarHBondContact CE-O 3.43Å
925	I	92.8	Very high	91.7	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-55.7	-47.6	179.8	-57.7	166.9	0	0	0	111.3	M920 P921 K927 G928 K931 F935 L939	M920-I925 HydrophobicContact CB-CD1 4.23Å; M920-I925 HydrophobicContact CB-CG1 4.14Å; M920-I925 HydrophobicContact CG-CG1 3.95Å; M920-I925 HydrophobicContact SD-CG1 3.83Å; P921-I925 PolarHBondContact O-N 2.74Å; I925-K927 PolarHBondContact O-N 2.84Å; I925-K927 VanDerWaalsContact O-N 3.12Å; I925-G928 PolarHBondContact O-N 3.4Å; I925-G928 VanDerWaalsContact O-N 3.09Å; I925-K931 HydrophobicContact CG2-CB 4.19Å; I925-F935 HydrophobicContact CD1-CD1 3.73Å; I925-F935 HydrophobicContact CD1-CE1 3.52Å; I925-F935 HydrophobicContact CD1-CE2 4.5Å; I925-F935 HydrophobicContact CD1-CG 4.32Å; I925-F935 HydrophobicContact CD1-CZ 3.95Å; I925-F935 HydrophobicContact CG1-CD1 4.31Å; I925-F935 HydrophobicContact CG1-CD2 4.41Å; I925-F935 HydrophobicContact CG1-CE1 4.01Å; I925-F935 HydrophobicContact CG1-CE2 4.11Å; I925-F935 HydrophobicContact CG1-CZ 3.9Å; I925-F935 HydrophobicContact CG2-CB 4Å; I925-F935 HydrophobicContact CG2-CD1 4.18Å; I925-F935 HydrophobicContact CG2-CD2 3.62Å; I925-F935 HydrophobicContact CG2-CE2 4.12Å; I925-F935 HydrophobicContact CG2-CG 3.66Å; I925-L939 HydrophobicContact CB-CD2 4.47Å; I925-L939 HydrophobicContact CD1-CB 4.3Å; I925-L939 HydrophobicContact CG2-CD2 3.84Å
926	R	92.6	Very high	91.6	Very high	155 Å²	155	57.6 Å²	57.6	59%	0.585	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.6	179.7	-69.6	-174.7	-165.9	104.9	-9.8	114.9	N922 M924 L939	N922-R926 WeakPolarHBondContact O-CG 3.41Å; N922-R926 PolarHBondContact O-N 3.24Å; N922-R926 PolarHBondContact O-NH1 2.81Å; M924-R926 PolarHBondContact O-N 3.48Å; R926-L939 HydrophobicContact CG-CD1 4.07Å; R926-L939 HydrophobicContact CG-CD2 4.3Å
927	K	91.3	Very high	91.5	Very high	145 Å²	145	65 Å²	65	63%	0.63	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	0	178.3	-70.6	-172.8	174.5	-164.7	0	113.3	K876 K923 M924 I925	K876-K927 HydrophobicContact CG-CB 4.23Å; K923-K927 WeakPolarHBondContact O-CG 3.2Å; M924-K927 PolarHBondContact O-N 3.24Å; I925-K927 PolarHBondContact O-N 2.84Å; I925-K927 VanDerWaalsContact O-N 3.12Å
928	G	91.6	Very high	91.4	Very high	5 Å²	5	68.1 Å²	68.1	5%	0.052	33%	0.325	C	S	.	.			trans	-88.1	132.4	175.7	0	0	0	0	0	111.9	I874 I925 F930	I874-G928 CarbonylContact O-C 3.49Å; I874-G928 WeakPolarHBondContact O-CA 3.37Å; I925-G928 PolarHBondContact O-N 3.4Å; I925-G928 VanDerWaalsContact O-N 3.09Å; G928-F930 VanDerWaalsContact C-N 3.35Å
929	L	90.8	Very high	91.4	Very high	111 Å²	111	68.8 Å²	68.8	58%	0.581	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-34	171.6	-65.1	-177	0	0	0	112.5	I858 I874 G875	I858-L929 HydrophobicContact CB-CD1 4.24Å; I858-L929 HydrophobicContact CD1-CD1 3.79Å; I858-L929 HydrophobicContact CG2-CD1 3.95Å; I874-L929 PolarHBondContact O-N 2.79Å; I874-L929 VanDerWaalsContact O-N 3.09Å; G875-L929 PolarHBondContact O-N 3.28Å
930	F	90.7	Very high	91.4	Very high	44 Å²	44	67.2 Å²	67.2	19%	0.193	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	22.3	-177.2	-47.3	-55.1	0	0	0	112.7	I858 P860 I874 G875 G928 D932 Q933	I858-F930 HydrophobicContact CG2-CE2 4.08Å; I858-F930 HydrophobicContact CG2-CZ 4.46Å; P860-F930 HydrophobicContact CB-CD2 3.74Å; P860-F930 HydrophobicContact CB-CE2 3.81Å; P860-F930 HydrophobicContact CG-CD2 4.06Å; P860-F930 HydrophobicContact CG-CE2 3.8Å; P860-F930 HydrophobicContact CG-CZ 4.19Å; I874-F930 PolarHBondContact O-N 2.83Å; G875-F930 VanDerWaalsContact CA-CD2 3.42Å; G928-F930 VanDerWaalsContact C-N 3.35Å; F930-D932 PolarHBondContact O-N 3.24Å; F930-Q933 PolarHBondContact O-N 3.43Å
931	K	90.8	Very high	91.4	Very high	71 Å²	71	67.1 Å²	67.1	31%	0.309	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-56.7	-38.7	-177.6	76	-166	-177.9	-164.1	0	112	I925 Q933 H934 F935	I925-K931 HydrophobicContact CG2-CB 4.19Å; K931-Q933 PolarHBondContact O-N 3.33Å; K931-H934 CarbonylContact O-C 3.55Å; K931-H934 PolarHBondContact O-N 3.44Å; K931-F935 PolarHBondContact O-N 2.8Å
932	D	89.9	Confident	91.3	Very high	97 Å²	97	66.6 Å²	66.6	52%	0.519	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-73.1	-17.1	-170.1	-51.8	-55.7	0	0	0	112.5	F930 H934	F930-D932 PolarHBondContact O-N 3.24Å; D932-H934 VanDerWaalsContact C-N 3.25Å; D932-H934 PolarHBondContact O-N 2.86Å
933	Q	89.9	Confident	91.1	Very high	105 Å²	105	65.9 Å²	65.9	49%	0.491	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-74.5	-15.7	171.8	-59.5	-179	10.3	0	0	112.9	F930 K931	F930-Q933 PolarHBondContact O-N 3.43Å; K931-Q933 PolarHBondContact O-N 3.33Å
934	H	89.9	Confident	90.9	Very high	8 Å²	8	60 Å²	60	4%	0.037	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	-16.7	-166.2	-62.9	-20.9	0	0	0	113.9	I873 N907 I910 K931 D932 F941 L942	I873-H934 WeakPolarHBondContact CG2-NE2 3.35Å; N907-H934 PolarHBondContact ND2-ND1 3.25Å; I910-H934 HydrophobicContact CD1-CB 4.36Å; I910-H934 WeakPolarHBondContact CD1-CD2 3.47Å; K931-H934 CarbonylContact O-C 3.55Å; K931-H934 PolarHBondContact O-N 3.44Å; D932-H934 VanDerWaalsContact C-N 3.25Å; D932-H934 PolarHBondContact O-N 2.86Å; H934-F941 HydrophobicContact CB-CE2 4.37Å; H934-F941 WeakPolarHBondContact O-CD2 3.47Å; H934-L942 PolarHBondContact O-N 2.98Å
935	F	92.7	Very high	90.5	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.018	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-135.9	145.6	-178.6	-61.9	-87	0	0	0	111	I874 I910 M920 I925 K931 N940 F941	I874-F935 HydrophobicContact CG2-CE2 4.11Å; I910-F935 HydrophobicContact CG2-CZ 4.31Å; M920-F935 HydrophobicContact CB-CZ 4.29Å; M920-F935 HydrophobicContact CE-CZ 4.42Å; M920-F935 HydrophobicContact SD-CE2 4.41Å; M920-F935 HydrophobicContact SD-CZ 4.14Å; I925-F935 HydrophobicContact CD1-CD1 3.73Å; I925-F935 HydrophobicContact CD1-CE1 3.52Å; I925-F935 HydrophobicContact CD1-CE2 4.5Å; I925-F935 HydrophobicContact CD1-CG 4.32Å; I925-F935 HydrophobicContact CD1-CZ 3.95Å; I925-F935 HydrophobicContact CG1-CD1 4.31Å; I925-F935 HydrophobicContact CG1-CD2 4.41Å; I925-F935 HydrophobicContact CG1-CE1 4.01Å; I925-F935 HydrophobicContact CG1-CE2 4.11Å; I925-F935 HydrophobicContact CG1-CZ 3.9Å; I925-F935 HydrophobicContact CG2-CB 4Å; I925-F935 HydrophobicContact CG2-CD1 4.18Å; I925-F935 HydrophobicContact CG2-CD2 3.62Å; I925-F935 HydrophobicContact CG2-CE2 4.12Å; I925-F935 HydrophobicContact CG2-CG 3.66Å; K931-F935 PolarHBondContact O-N 2.8Å; F935-N940 CarbonylContact C-O 3.54Å; F935-N940 WeakPolarHBondContact CA-O 3.16Å; F935-F941 HydrophobicContact CD1-CB 4.2Å; F935-F941 HydrophobicContact CD1-CD2 4.3Å; F935-F941 HydrophobicContact CE1-CB 4.01Å; F935-F941 AromaticContact CE1-CD2 3.89Å; F935-F941 HydrophobicContact CE1-CD2 3.89Å; F935-F941 HydrophobicContact CE1-CG 4.43Å; F935-F941 HydrophobicContact CZ-CD2 4.07Å
936	D	90.9	Very high	89.9	Confident	34 Å²	34	66.6 Å²	66.6	18%	0.182	32%	0.321	C	S	.	.			trans	-77.8	173.8	171.4	76.6	-0.2	0	0	0	111.8	N938 L939 N940 L942	D936-N938 PolarHBondContact O-N 3.22Å; D936-N938 VanDerWaalsContact O-N 3.09Å; D936-N938 VanDerWaalsContact OD1-CA 3.25Å; D936-N938 WeakPolarHBondContact OD1-CA 3.24Å; D936-N938 VanDerWaalsContact OD1-CB 3.32Å; D936-N938 WeakPolarHBondContact OD1-CB 3.35Å; D936-N938 PolarHBondContact OD1-N 2.82Å; D936-L939 WeakPolarHBondContact O-CA 3.19Å; D936-L939 PolarHBondContact O-N 2.79Å; D936-L939 PolarHBondContact OD1-N 3.05Å; D936-N940 PolarHBondContact N-O 3.45Å; D936-N940 WeakPolarHBondContact OD1-CB 3.38Å; D936-N940 PolarHBondContact OD1-N 3.08Å; D936-N940 PolarHBondContact OD1-ND2 2.91Å; D936-N940 WeakPolarHBondContact OD2-CB 3.28Å; D936-N940 PolarHBondContact OD2-ND2 3.32Å; D936-L942 HydrophobicContact CB-CD2 4.17Å
937	Q	89.8	Confident	89.2	Confident	168 Å²	168	62 Å²	62	79%	0.785	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-23.8	175.8	-169.8	64.9	4.3	0	0	113.4	L939	Q937-L939 VanDerWaalsContact C-N 3.31Å
938	N	89.6	Confident	88.4	Confident	119 Å²	119	63.4 Å²	63.4	64%	0.636	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	4.1	177.5	-57.1	-50.5	0	0	0	112.8	D936 N940	D936-N938 PolarHBondContact O-N 3.22Å; D936-N938 VanDerWaalsContact O-N 3.09Å; D936-N938 VanDerWaalsContact OD1-CA 3.25Å; D936-N938 WeakPolarHBondContact OD1-CA 3.24Å; D936-N938 VanDerWaalsContact OD1-CB 3.32Å; D936-N938 WeakPolarHBondContact OD1-CB 3.35Å; D936-N938 PolarHBondContact OD1-N 2.82Å; N938-N940 VanDerWaalsContact C-N 3.26Å; N938-N940 WeakPolarHBondContact CB-ND2 3.44Å; N938-N940 PolarHBondContact O-N 3.09Å
939	L	90	Very high	87.6	Confident	20 Å²	20	69.1 Å²	69.1	11%	0.105	35%	0.347	C	S	.	.	S	Bend	trans	62.3	28	-175.4	-44.9	175.7	0	0	0	113.4	K919 N922 I925 R926 D936 Q937	K919-L939 WeakPolarHBondContact CE-O 3.47Å; K919-L939 PolarHBondContact NZ-O 3.09Å; N922-L939 HydrophobicContact CB-CD1 3.71Å; I925-L939 HydrophobicContact CB-CD2 4.47Å; I925-L939 HydrophobicContact CD1-CB 4.3Å; I925-L939 HydrophobicContact CG2-CD2 3.84Å; R926-L939 HydrophobicContact CG-CD1 4.07Å; R926-L939 HydrophobicContact CG-CD2 4.3Å; D936-L939 WeakPolarHBondContact O-CA 3.19Å; D936-L939 PolarHBondContact O-N 2.79Å; D936-L939 PolarHBondContact OD1-N 3.05Å; Q937-L939 VanDerWaalsContact C-N 3.31Å
940	N	91.6	Very high	86.9	Confident	28 Å²	28	67.5 Å²	67.5	15%	0.15	34%	0.342	C	S	.	.			trans	-81.8	147.9	165.9	-53.5	-47.1	0	0	0	109.5	F935 D936 N938 V957 S959	F935-N940 CarbonylContact C-O 3.54Å; F935-N940 WeakPolarHBondContact CA-O 3.16Å; D936-N940 PolarHBondContact N-O 3.45Å; D936-N940 WeakPolarHBondContact OD1-CB 3.38Å; D936-N940 PolarHBondContact OD1-N 3.08Å; D936-N940 PolarHBondContact OD1-ND2 2.91Å; D936-N940 WeakPolarHBondContact OD2-CB 3.28Å; D936-N940 PolarHBondContact OD2-ND2 3.32Å; N938-N940 VanDerWaalsContact C-N 3.26Å; N938-N940 WeakPolarHBondContact CB-ND2 3.44Å; N938-N940 PolarHBondContact O-N 3.09Å; N940-V957 HydrophobicContact CB-CG1 3.75Å; N940-S959 VanDerWaalsContact OD1-CA 3.23Å; N940-S959 WeakPolarHBondContact OD1-CA 3.49Å; N940-S959 VanDerWaalsContact OD1-CB 3.31Å; N940-S959 WeakPolarHBondContact OD1-CB 3.39Å
941	F	92.7	Very high	86.3	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	132.3	-178.6	178	-114.4	0	0	0	111	N907 I910 K911 M914 H934 F935 Y943 M958 I961	N907-F941 WeakPolarHBondContact ND2-CZ 3.26Å; N907-F941 WeakPolarHBondContact O-CZ 3.32Å; N907-F941 WeakPolarHBondContact OD1-CZ 3.28Å; I910-F941 HydrophobicContact CB-CE2 4.13Å; I910-F941 HydrophobicContact CB-CZ 4.44Å; I910-F941 HydrophobicContact CG2-CD2 3.96Å; I910-F941 HydrophobicContact CG2-CE2 3.43Å; I910-F941 VanDerWaalsContact CG2-CE2 3.43Å; I910-F941 HydrophobicContact CG2-CZ 4.01Å; K911-F941 HydrophobicContact CB-CE1 3.79Å; K911-F941 HydrophobicContact CB-CZ 4.01Å; K911-F941 HydrophobicContact CD-CD1 4.46Å; K911-F941 HydrophobicContact CD-CE1 3.98Å; K911-F941 HydrophobicContact CG-CE1 4.35Å; M914-F941 HydrophobicContact CE-CB 3.82Å; M914-F941 HydrophobicContact CE-CD1 3.65Å; M914-F941 HydrophobicContact CE-CD2 3.38Å; M914-F941 HydrophobicContact CE-CE1 4.01Å; M914-F941 HydrophobicContact CE-CE2 3.79Å; M914-F941 HydrophobicContact CE-CG 3.31Å; M914-F941 HydrophobicContact CE-CZ 4.08Å; H934-F941 HydrophobicContact CB-CE2 4.37Å; H934-F941 WeakPolarHBondContact O-CD2 3.47Å; F935-F941 HydrophobicContact CD1-CB 4.2Å; F935-F941 HydrophobicContact CD1-CD2 4.3Å; F935-F941 HydrophobicContact CE1-CB 4.01Å; F935-F941 AromaticContact CE1-CD2 3.89Å; F935-F941 HydrophobicContact CE1-CD2 3.89Å; F935-F941 HydrophobicContact CE1-CG 4.43Å; F935-F941 HydrophobicContact CZ-CD2 4.07Å; F941-Y943 VanDerWaalsContact CE1-CA 3.49Å; F941-Y943 HydrophobicContact CE1-CD2 4.29Å; F941-Y943 HydrophobicContact CE1-CG 4.31Å; F941-Y943 PolarHBondContact O-N 2.99Å; F941-M958 HydrophobicContact CB-CB 4.48Å; F941-M958 PolarHBondContact N-O 2.77Å; F941-M958 PolarHBondContact O-N 3.13Å; F941-I961 HydrophobicContact CB-CD1 3.9Å; F941-I961 HydrophobicContact CD1-CD1 3.78Å; F941-I961 HydrophobicContact CG-CD1 4.1Å
942	L	91.4	Very high	85.8	Confident	35 Å²	35	75.2 Å²	75.2	18%	0.183	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	93.4	173.7	-61.6	179.2	0	0	0	108.1	N907 H934 D936 I944 V955 V957	N907-L942 PolarHBondContact ND2-O 2.82Å; N907-L942 PolarHBondContact OD1-O 2.92Å; H934-L942 PolarHBondContact O-N 2.98Å; D936-L942 HydrophobicContact CB-CD2 4.17Å; L942-I944 PolarHBondContact O-N 3.33Å; L942-V955 HydrophobicContact CB-CG1 3.91Å; L942-V955 HydrophobicContact CD2-CG1 3.96Å; L942-V955 HydrophobicContact CG-CG1 4.42Å; L942-V957 HydrophobicContact CD2-CG1 4.42Å; L942-V957 HydrophobicContact CD2-CG2 3.86Å
943	Y	89.5	Confident	85.6	Confident	53 Å²	53	77.8 Å²	77.8	21%	0.208	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	104.1	178.7	170.3	-136.9	0	0	0	109.2	K911 F941 E945 T956 M958	K911-Y943 HydrophobicContact CB-CD2 4.27Å; K911-Y943 HydrophobicContact CD-CD2 4.05Å; K911-Y943 HydrophobicContact CD-CE2 4.39Å; K911-Y943 HydrophobicContact CD-CG 4.33Å; K911-Y943 HydrophobicContact CG-CD2 3.82Å; K911-Y943 HydrophobicContact CG-CE2 3.9Å; F941-Y943 VanDerWaalsContact CE1-CA 3.49Å; F941-Y943 HydrophobicContact CE1-CD2 4.29Å; F941-Y943 HydrophobicContact CE1-CG 4.31Å; F941-Y943 PolarHBondContact O-N 2.99Å; Y943-E945 HydrophobicContact CD1-CG 4.06Å; Y943-E945 HydrophobicContact CD2-CG 4.47Å; Y943-E945 VanDerWaalsContact CE1-CD 3.45Å; Y943-E945 HydrophobicContact CE1-CG 3.47Å; Y943-E945 VanDerWaalsContact CE1-CG 3.47Å; Y943-E945 WeakPolarHBondContact CE1-OE1 3.36Å; Y943-E945 HydrophobicContact CE2-CG 3.96Å; Y943-E945 HydrophobicContact CG-CG 4.49Å; Y943-E945 VanDerWaalsContact CZ-OE1 3.25Å; Y943-E945 PolarHBondContact O-N 3.39Å; Y943-E945 WeakPolarHBondContact OH-CG 3.38Å; Y943-E945 PolarHBondContact OH-OE1 2.85Å; Y943-T956 WeakPolarHBondContact CB-O 3.4Å; Y943-T956 HydrophobicContact CD1-CG2 4.36Å; Y943-T956 PolarHBondContact N-O 2.81Å; Y943-T956 PolarHBondContact O-N 2.78Å; Y943-M958 HydrophobicContact CD1-SD 3.84Å; Y943-M958 HydrophobicContact CG-SD 4.1Å
944	I	88.6	Confident	85.4	Confident	53 Å²	53	77.9 Å²	77.9	27%	0.272	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	103	-178.6	-52.5	177.8	0	0	0	108.8	N907 L942 E953 V955	N907-I944 HydrophobicContact CB-CD1 4.48Å; N907-I944 PolarHBondContact OD1-N 3.21Å; L942-I944 PolarHBondContact O-N 3.33Å; I944-E953 HydrophobicContact CG2-CB 4.43Å; I944-V955 HydrophobicContact CG1-CG2 4.4Å
945	E	84.1	Confident	85.4	Confident	54 Å²	54	81.3 Å²	81.3	25%	0.252	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	145.8	167.1	-58	-171.3	124.5	0	0	109.4	Y943 E953 K954	Y943-E945 HydrophobicContact CD1-CG 4.06Å; Y943-E945 HydrophobicContact CD2-CG 4.47Å; Y943-E945 VanDerWaalsContact CE1-CD 3.45Å; Y943-E945 HydrophobicContact CE1-CG 3.47Å; Y943-E945 VanDerWaalsContact CE1-CG 3.47Å; Y943-E945 WeakPolarHBondContact CE1-OE1 3.36Å; Y943-E945 HydrophobicContact CE2-CG 3.96Å; Y943-E945 HydrophobicContact CG-CG 4.49Å; Y943-E945 VanDerWaalsContact CZ-OE1 3.25Å; Y943-E945 PolarHBondContact O-N 3.39Å; Y943-E945 WeakPolarHBondContact OH-CG 3.38Å; Y943-E945 PolarHBondContact OH-OE1 2.85Å; E945-E953 CarbonylContact O-C 3.55Å; E945-E953 WeakPolarHBondContact O-CA 3.25Å; E945-K954 HydrophobicContact CB-CB 4.33Å; E945-K954 PolarHBondContact N-O 3.46Å; E945-K954 PolarHBondContact O-N 3.38Å; E945-K954 IonicContact OE2-NZ 3.42Å; E945-K954 PolarHBondContact OE2-NZ 3.39Å
946	V	80.1	Confident	85.2	Confident	90 Å²	90	83.3 Å²	83.3	55%	0.545	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	118.5	154.3	-179.9	0	0	0	0	105.9	K948	V946-K948 PolarHBondContact O-N 2.87Å
947	D	77.8	Confident	85.1	Confident	58 Å²	58	85.7 Å²	85.7	31%	0.31	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-68.6	123.4	178	172.3	20.3	0	0	0	109.8	V949 T950 E951 R952	D947-V949 PolarHBondContact O-N 2.84Å; D947-V949 VanDerWaalsContact O-N 3.17Å; D947-V949 PolarHBondContact OD1-N 2.84Å; D947-V949 VanDerWaalsContact OD1-N 3.12Å; D947-T950 WeakPolarHBondContact CB-OG1 3.29Å; D947-T950 PolarHBondContact O-N 2.78Å; D947-T950 WeakPolarHBondContact OD2-CB 3.31Å; D947-T950 WeakPolarHBondContact OD2-CG2 3.42Å; D947-T950 PolarHBondContact OD2-N 3.48Å; D947-T950 PolarHBondContact OD2-OG1 3.43Å; D947-E951 VanDerWaalsContact O-CA 3.22Å; D947-E951 WeakPolarHBondContact O-CA 3.24Å; D947-E951 PolarHBondContact O-N 3.39Å; D947-R952 PolarHBondContact N-O 3.49Å
948	K	73.6	Confident	84.9	Confident	174 Å²	174	80.1 Å²	80.1	76%	0.757	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-19	-176	-61.1	-176.8	-179.5	-176.9	0	113.8	V946	V946-K948 PolarHBondContact O-N 2.87Å
949	V	75	Confident	84.6	Confident	126 Å²	126	77.5 Å²	77.5	76%	0.764	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-39.5	-178.2	-176.4	0	0	0	0	111.6	D947	D947-V949 PolarHBondContact O-N 2.84Å; D947-V949 VanDerWaalsContact O-N 3.17Å; D947-V949 PolarHBondContact OD1-N 2.84Å; D947-V949 VanDerWaalsContact OD1-N 3.12Å
950	T	75.8	Confident	84.2	Confident	76 Å²	76	81.3 Å²	81.3	47%	0.466	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-9.6	-177	61.9	0	0	0	0	114.4	D947 R952	D947-T950 WeakPolarHBondContact CB-OG1 3.29Å; D947-T950 PolarHBondContact O-N 2.78Å; D947-T950 WeakPolarHBondContact OD2-CB 3.31Å; D947-T950 WeakPolarHBondContact OD2-CG2 3.42Å; D947-T950 PolarHBondContact OD2-N 3.48Å; D947-T950 PolarHBondContact OD2-OG1 3.43Å; T950-R952 PolarHBondContact O-N 2.82Å
951	E	78.6	Confident	83.9	Confident	89 Å²	89	80.4 Å²	80.4	42%	0.416	41%	0.414	S	S	.	.			trans	53.2	16.7	-171.5	-55.1	-158.6	140.7	0	0	114.5	Q178 N181 D947	Q178-E951 VanDerWaalsContact NE2-CD 3.26Å; Q178-E951 PolarHBondContact NE2-OE1 3.27Å; Q178-E951 PolarHBondContact NE2-OE2 2.84Å; Q178-E951 VanDerWaalsContact NE2-OE2 3.14Å; N181-E951 PolarHBondContact ND2-OE1 3.44Å; D947-E951 VanDerWaalsContact O-CA 3.22Å; D947-E951 WeakPolarHBondContact O-CA 3.24Å; D947-E951 PolarHBondContact O-N 3.39Å
952	R	80.5	Confident	83.5	Confident	189 Å²	189	86.1 Å²	86.1	71%	0.713	44%	0.444	S	S	*	.			trans	-92.5	147.2	179	-70	173.7	-174.1	-166.8	-1.1	111.1	D947 T950 K954	D947-R952 PolarHBondContact N-O 3.49Å; T950-R952 PolarHBondContact O-N 2.82Å; R952-K954 PolarHBondContact O-N 3.36Å
953	E	85.3	Confident	83.3	Confident	151 Å²	151	88.5 Å²	88.5	71%	0.706	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	127.3	170.3	-59.7	-169.7	154.5	0	0	110.1	I944 E945	I944-E953 HydrophobicContact CG2-CB 4.43Å; E945-E953 CarbonylContact O-C 3.55Å; E945-E953 WeakPolarHBondContact O-CA 3.25Å
954	K	86.3	Confident	83.1	Confident	107 Å²	107	91.1 Å²	91.1	47%	0.465	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	106.9	177.7	176	-173.2	163.5	-135.4	0	108.4	E945 R952	E945-K954 HydrophobicContact CB-CB 4.33Å; E945-K954 PolarHBondContact N-O 3.46Å; E945-K954 PolarHBondContact O-N 3.38Å; E945-K954 IonicContact OE2-NZ 3.42Å; E945-K954 PolarHBondContact OE2-NZ 3.39Å; R952-K954 PolarHBondContact O-N 3.36Å
955	V	88.6	Confident	82.8	Confident	80 Å²	80	90.9 Å²	90.9	49%	0.485	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	116.1	176.8	-171.7	0	0	0	0	109.7	L942 I944	L942-V955 HydrophobicContact CB-CG1 3.91Å; L942-V955 HydrophobicContact CD2-CG1 3.96Å; L942-V955 HydrophobicContact CG-CG1 4.42Å; I944-V955 HydrophobicContact CG1-CG2 4.4Å
956	T	88.3	Confident	82.9	Confident	45 Å²	45	92.3 Å²	92.3	28%	0.276	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.8	175	-59.9	0	0	0	0	109.6	Y943 M958	Y943-T956 WeakPolarHBondContact CB-O 3.4Å; Y943-T956 HydrophobicContact CD1-CG2 4.36Å; Y943-T956 PolarHBondContact N-O 2.81Å; Y943-T956 PolarHBondContact O-N 2.78Å; T956-M958 HydrophobicContact CG2-CG 4.33Å; T956-M958 PolarHBondContact O-N 3.29Å
957	V	90.4	Very high	83.1	Confident	84 Å²	84	88.1 Å²	88.1	51%	0.509	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	119.3	178.6	-170.7	0	0	0	0	110.1	N940 L942	N940-V957 HydrophobicContact CB-CG1 3.75Å; L942-V957 HydrophobicContact CD2-CG1 4.42Å; L942-V957 HydrophobicContact CD2-CG2 3.86Å
958	M	85.9	Confident	83.4	Confident	51 Å²	51	87.7 Å²	87.7	25%	0.251	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	102.3	179.6	-59.6	-166.4	78.4	0	0	110.5	K911 F941 Y943 T956 I961	K911-M958 HydrophobicContact CD-SD 4.28Å; F941-M958 HydrophobicContact CB-CB 4.48Å; F941-M958 PolarHBondContact N-O 2.77Å; F941-M958 PolarHBondContact O-N 3.13Å; Y943-M958 HydrophobicContact CD1-SD 3.84Å; Y943-M958 HydrophobicContact CG-SD 4.1Å; T956-M958 HydrophobicContact CG2-CG 4.33Å; T956-M958 PolarHBondContact O-N 3.29Å; M958-I961 HydrophobicContact CB-CD1 4.16Å; M958-I961 HydrophobicContact CB-CG1 3.92Å; M958-I961 HydrophobicContact CE-CG1 4.09Å; M958-I961 HydrophobicContact SD-CD1 4.38Å; M958-I961 HydrophobicContact SD-CG1 4.22Å
959	S	82.9	Confident	84	Confident	65 Å²	65	83.3 Å²	83.3	46%	0.455	45%	0.452	S	S	.	.	S	Bend	trans	-74	-35.6	-180	59.4	0	0	0	0	113.3	K919 N940	K919-S959 WeakPolarHBondContact CD-O 3.25Å; K919-S959 PolarHBondContact NZ-O 2.78Å; N940-S959 VanDerWaalsContact OD1-CA 3.23Å; N940-S959 WeakPolarHBondContact OD1-CA 3.49Å; N940-S959 VanDerWaalsContact OD1-CB 3.31Å; N940-S959 WeakPolarHBondContact OD1-CB 3.39Å
960	T	81.6	Confident	84.4	Confident	99 Å²	99	80.3 Å²	80.3	61%	0.607	43%	0.432	S	S	*	.			trans	-128.6	138	173.1	50.9	0	0	0	0	109.5
961	I	84.8	Confident	84.8	Confident	10 Å²	10	76.9 Å²	76.9	5%	0.051	41%	0.411	C	S	.	.			trans	-124.7	113.3	174.5	-63.8	168.4	0	0	0	106.1	M914 G918 K919 F941 M958	M914-I961 HydrophobicContact CB-CB 4.48Å; M914-I961 HydrophobicContact CB-CD1 4.11Å; M914-I961 HydrophobicContact CB-CG2 3.99Å; M914-I961 HydrophobicContact CE-CD1 3.52Å; M914-I961 HydrophobicContact SD-CD1 3.91Å; G918-I961 WeakPolarHBondContact CA-O 3.28Å; K919-I961 PolarHBondContact N-O 3.06Å; F941-I961 HydrophobicContact CB-CD1 3.9Å; F941-I961 HydrophobicContact CD1-CD1 3.78Å; F941-I961 HydrophobicContact CG-CD1 4.1Å; M958-I961 HydrophobicContact CB-CD1 4.16Å; M958-I961 HydrophobicContact CB-CG1 3.92Å; M958-I961 HydrophobicContact CE-CG1 4.09Å; M958-I961 HydrophobicContact SD-CD1 4.38Å; M958-I961 HydrophobicContact SD-CG1 4.22Å
962	N	84.4	Confident	84.9	Confident	119 Å²	119	74 Å²	74	64%	0.636	40%	0.399	S	S	*	.			trans	-83.2	141.1	176.5	-64.5	-27.1	0	0	0	108.8	T964	N962-T964 PolarHBondContact O-N 3.48Å; N962-T964 VanDerWaalsContact O-N 3.09Å
963	P	88.1	Confident	84.4	Confident	86 Å²	86	67.5 Å²	67.5	56%	0.558	39%	0.391	S	S	*	.			trans	-55.8	116.7	169.2	-24.1	33.9	0	0	0	110.4	D915	D915-P963 CarbonylContact O-C 3.17Å; D915-P963 WeakPolarHBondContact O-CA 3.38Å
964	T	84.8	Confident	83.3	Confident	107 Å²	107	64.1 Å²	64.1	66%	0.656	40%	0.397	S	S	*	.			trans	-109.6	-22.7	177.4	51.1	0	0	0	0	112.1	D915 N962	D915-T964 PolarHBondContact O-N 3.39Å; N962-T964 PolarHBondContact O-N 3.48Å; N962-T964 VanDerWaalsContact O-N 3.09Å
965	K	82.3	Confident	82.5	Confident	49 Å²	49	63.6 Å²	63.6	21%	0.213	40%	0.396	C	S	.	.			trans	-90.6	114	-179	-172.5	170.5	-173.4	167.3	0	111.3	L900 D915 D970	L900-K965 PolarHBondContact O-NZ 3.11Å; D915-K965 PolarHBondContact O-N 3.12Å; K965-D970 WeakPolarHBondContact CE-OD2 3.43Å; K965-D970 IonicContact NZ-OD2 2.65Å
966	D	84.8	Confident	81.5	Confident	83 Å²	83	71.8 Å²	71.8	44%	0.444	42%	0.418	S	S	.	.			trans	-94.7	104.1	171.7	178.3	18.1	0	0	0	111.2	L968 C969 D970	D966-L968 PolarHBondContact O-N 3.08Å; D966-L968 VanDerWaalsContact OD1-CB 3.29Å; D966-L968 WeakPolarHBondContact OD1-CB 3.3Å; D966-L968 PolarHBondContact OD1-N 3.48Å; D966-C969 HydrophobicContact CB-CB 4.04Å; D966-C969 PolarHBondContact O-N 3.39Å; D966-C969 WeakPolarHBondContact OD2-CB 3.43Å; D966-C969 PolarHBondContact OD2-N 3.07Å; D966-D970 PolarHBondContact O-N 3.36Å; D966-D970 VanDerWaalsContact O-N 3.11Å
967	L	84.5	Confident	80.9	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.01	41%	0.413	C	S	.	.	H	α-helix	trans	-53.6	-35.2	175	-66.5	174.8	0	0	0	113	Y892 L900 L916 D970 M971 K989 I992	Y892-L967 HydrophobicContact CD2-CD2 4.19Å; Y892-L967 HydrophobicContact CE2-CD2 4.12Å; L900-L967 HydrophobicContact CD1-CD2 3.86Å; L916-L967 HydrophobicContact CD1-CD1 3.75Å; L916-L967 HydrophobicContact CD1-CD2 3.83Å; L916-L967 HydrophobicContact CD1-CG 3.46Å; L916-L967 VanDerWaalsContact CD1-CG 3.46Å; L916-L967 HydrophobicContact CD2-CD1 4.24Å; L916-L967 HydrophobicContact CD2-CD2 4.16Å; L916-L967 HydrophobicContact CD2-CG 4.43Å; L967-D970 PolarHBondContact O-N 2.96Å; L967-M971 HydrophobicContact CB-SD 4.49Å; L967-M971 WeakPolarHBondContact O-CB 3.42Å; L967-M971 WeakPolarHBondContact O-CG 3.49Å; L967-M971 PolarHBondContact O-N 3.46Å; L967-K989 HydrophobicContact CB-CG 4.05Å; L967-I992 HydrophobicContact CD1-CG2 4.12Å
968	L	85.4	Confident	80.5	Confident	49 Å²	49	70.7 Å²	70.7	26%	0.257	41%	0.412	S	S	.	.	H	α-helix	trans	-68.2	-46.1	-176.4	-168.8	171.1	0	0	0	109.8	D966 M971 V972 L986	D966-L968 PolarHBondContact O-N 3.08Å; D966-L968 VanDerWaalsContact OD1-CB 3.29Å; D966-L968 WeakPolarHBondContact OD1-CB 3.3Å; D966-L968 PolarHBondContact OD1-N 3.48Å; L968-M971 PolarHBondContact O-N 3.49Å; L968-V972 HydrophobicContact CD2-CG2 4.01Å; L968-V972 WeakPolarHBondContact O-CB 3.46Å; L968-V972 VanDerWaalsContact O-CG2 3.31Å; L968-V972 WeakPolarHBondContact O-CG2 3.34Å; L968-V972 PolarHBondContact O-N 2.98Å; L968-L986 HydrophobicContact CD1-CD2 3.4Å; L968-L986 HydrophobicContact CG-CD2 3.95Å
969	C	84.7	Confident	80.3	Confident	82 Å²	82	75.4 Å²	75.4	55%	0.554	43%	0.433	S	S	*	.	H	α-helix	trans	-58.9	-48.8	174.5	-166.2	0	0	0	0	111.5	D966 M971 V972 G973	D966-C969 HydrophobicContact CB-CB 4.04Å; D966-C969 PolarHBondContact O-N 3.39Å; D966-C969 WeakPolarHBondContact OD2-CB 3.43Å; D966-C969 PolarHBondContact OD2-N 3.07Å; C969-M971 PolarHBondContact O-N 3.02Å; C969-V972 PolarHBondContact O-N 3.34Å; C969-G973 PolarHBondContact O-N 3.29Å
970	D	85.2	Confident	80.3	Confident	64 Å²	64	79.3 Å²	79.3	34%	0.342	44%	0.444	S	S	.	.	H	α-helix	trans	-61.9	-43.7	179.6	-75.8	-15	0	0	0	112.6	Y892 K965 D966 L967 G973	Y892-D970 HydrophobicContact CE2-CB 4.29Å; Y892-D970 WeakPolarHBondContact OH-CB 3.45Å; K965-D970 WeakPolarHBondContact CE-OD2 3.43Å; K965-D970 IonicContact NZ-OD2 2.65Å; D966-D970 PolarHBondContact O-N 3.36Å; D966-D970 VanDerWaalsContact O-N 3.11Å; L967-D970 PolarHBondContact O-N 2.96Å; D970-G973 PolarHBondContact O-N 3.46Å
971	M	82.6	Confident	80.4	Confident	4 Å²	4	77.4 Å²	77.4	2%	0.02	43%	0.428	C	S	.	.	H	α-helix	trans	-71.2	-35.9	179.8	-72.9	174.3	75.2	0	0	112.9	Y892 Y895 T896 L967 L968 C969 V985 L988 K989 I992	Y892-M971 HydrophobicContact CD2-CG 4.01Å; Y892-M971 HydrophobicContact CD2-SD 4.47Å; Y892-M971 HydrophobicContact CE2-CG 3.94Å; Y895-M971 HydrophobicContact CD1-CB 4.14Å; Y895-M971 HydrophobicContact CD1-CE 3.68Å; Y895-M971 HydrophobicContact CD1-CG 4.25Å; Y895-M971 HydrophobicContact CE1-CB 3.99Å; Y895-M971 HydrophobicContact CE1-CE 4.19Å; Y895-M971 VanDerWaalsContact CE1-O 3.27Å; Y895-M971 WeakPolarHBondContact CE1-O 3.47Å; Y895-M971 HydrophobicContact CG-CE 4.46Å; T896-M971 HydrophobicContact CG2-CB 4.42Å; T896-M971 HydrophobicContact CG2-CG 4Å; L967-M971 HydrophobicContact CB-SD 4.49Å; L967-M971 WeakPolarHBondContact O-CB 3.42Å; L967-M971 WeakPolarHBondContact O-CG 3.49Å; L967-M971 PolarHBondContact O-N 3.46Å; L968-M971 PolarHBondContact O-N 3.49Å; C969-M971 PolarHBondContact O-N 3.02Å; M971-V985 HydrophobicContact CB-CG1 4.16Å; M971-V985 HydrophobicContact CE-CG1 4.16Å; M971-L988 HydrophobicContact CE-CB 4.11Å; M971-L988 HydrophobicContact CE-CD2 3.53Å; M971-L988 HydrophobicContact CE-CG 3.63Å; M971-K989 HydrophobicContact SD-CB 4.05Å; M971-I992 HydrophobicContact CE-CD1 3.99Å; M971-I992 HydrophobicContact SD-CD1 4.24Å
972	V	82.2	Confident	80.4	Confident	27 Å²	27	83.1 Å²	83.1	16%	0.164	45%	0.449	C	S	.	.	H	α-helix	trans	-76.1	-30.8	175.7	175.1	0	0	0	0	110.8	L968 C969 G974 Q975 V985	L968-V972 HydrophobicContact CD2-CG2 4.01Å; L968-V972 WeakPolarHBondContact O-CB 3.46Å; L968-V972 VanDerWaalsContact O-CG2 3.31Å; L968-V972 WeakPolarHBondContact O-CG2 3.34Å; L968-V972 PolarHBondContact O-N 2.98Å; C969-V972 PolarHBondContact O-N 3.34Å; V972-G974 PolarHBondContact O-N 3.09Å; V972-Q975 WeakPolarHBondContact CG1-O 3.27Å; V972-Q975 VanDerWaalsContact O-CB 3.24Å; V972-Q975 WeakPolarHBondContact O-CB 3.46Å; V972-Q975 WeakPolarHBondContact O-CG 3.36Å; V972-Q975 PolarHBondContact O-N 2.88Å; V972-V985 HydrophobicContact CG2-CG1 4.28Å
973	G	69.3	Low	80.5	Confident	53 Å²	53	83.6 Å²	83.6	55%	0.546	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	24.5	167.9	0	0	0	0	0	115.2	C969 D970 Q975	C969-G973 PolarHBondContact O-N 3.29Å; D970-G973 PolarHBondContact O-N 3.46Å; G973-Q975 PolarHBondContact O-N 3.49Å
974	G	62.1	Low	80.5	Confident	81 Å²	81	81.2 Å²	81.2	84%	0.835	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	1.4	-171.8	0	0	0	0	0	115.4	V972	V972-G974 PolarHBondContact O-N 3.09Å
975	Q	69.8	Low	80.7	Confident	95 Å²	95	76.2 Å²	76.2	44%	0.444	40%	0.396	S	S	.	.			trans	-70.7	128.8	177.3	-56.4	-177.3	18.2	0	0	110.9	V972 G973 L977	V972-Q975 WeakPolarHBondContact CG1-O 3.27Å; V972-Q975 VanDerWaalsContact O-CB 3.24Å; V972-Q975 WeakPolarHBondContact O-CB 3.46Å; V972-Q975 WeakPolarHBondContact O-CG 3.36Å; V972-Q975 PolarHBondContact O-N 2.88Å; G973-Q975 PolarHBondContact O-N 3.49Å; Q975-L977 VanDerWaalsContact C-N 3.26Å; Q975-L977 HydrophobicContact CB-CD2 4.19Å; Q975-L977 HydrophobicContact CB-CG 4.1Å; Q975-L977 PolarHBondContact O-N 3.25Å
976	R	66.8	Low	81	Confident	253 Å²	253	77 Å²	77	96%	0.955	40%	0.402	S	S	*	.			trans	-82.9	71.7	175.1	-164.8	178.4	-176.1	-174.2	0.4	110.7
977	L	75.9	Confident	81.4	Confident	30 Å²	30	74.5 Å²	74.5	16%	0.157	39%	0.39	C	S	.	.			trans	-65.5	145.7	-178.3	-63.2	171.5	0	0	0	112.3	Q975 Q981 V985	Q975-L977 VanDerWaalsContact C-N 3.26Å; Q975-L977 HydrophobicContact CB-CD2 4.19Å; Q975-L977 HydrophobicContact CB-CG 4.1Å; Q975-L977 PolarHBondContact O-N 3.25Å; L977-Q981 HydrophobicContact CB-CB 4.36Å; L977-V985 HydrophobicContact CD1-CG2 4.19Å
978	P	83.1	Confident	81.8	Confident	75 Å²	75	74.4 Å²	74.4	49%	0.487	39%	0.389	S	S	.	.			trans	-54.5	149.2	165.2	-23.3	33.3	0	0	0	111.8	E980 Q981 R982	P978-E980 VanDerWaalsContact C-N 3.26Å; P978-E980 PolarHBondContact O-N 2.63Å; P978-Q981 PolarHBondContact O-N 3.19Å; P978-R982 PolarHBondContact O-N 3.43Å
979	E	81.7	Confident	82.1	Confident	151 Å²	151	74.8 Å²	74.8	71%	0.706	39%	0.389	S	S	*	.	H	α-helix	trans	-58.6	-35.3	-175.1	-65.7	-166.9	171.8	0	0	113.7	R982 K983	E979-R982 PolarHBondContact O-N 2.89Å; E979-K983 WeakPolarHBondContact O-CB 3.36Å; E979-K983 WeakPolarHBondContact O-CG 3.34Å; E979-K983 PolarHBondContact O-N 3.3Å
980	E	82.3	Confident	82.5	Confident	147 Å²	147	75.5 Å²	75.5	69%	0.687	39%	0.387	S	S	*	.	H	α-helix	trans	-63.1	-44	175.2	-64.4	177.7	-173.9	0	0	112.7	P978 K983 K984	P978-E980 VanDerWaalsContact C-N 3.26Å; P978-E980 PolarHBondContact O-N 2.63Å; E980-K983 PolarHBondContact O-N 2.81Å; E980-K984 WeakPolarHBondContact O-CG 3.32Å; E980-K984 PolarHBondContact O-N 3.31Å; E980-K984 VanDerWaalsContact O-N 3.07Å
981	Q	82.8	Confident	82.9	Confident	58 Å²	58	72.5 Å²	72.5	27%	0.271	37%	0.371	S	S	.	.	H	α-helix	trans	-68.3	-42	176.4	-67.4	-176	-2.3	0	0	110	H800 L977 P978 K983 K984 V985	H800-Q981 PolarHBondContact NE2-NE2 3.31Å; L977-Q981 HydrophobicContact CB-CB 4.36Å; P978-Q981 PolarHBondContact O-N 3.19Å; Q981-K983 VanDerWaalsContact C-N 3.35Å; Q981-K983 PolarHBondContact O-N 2.9Å; Q981-K984 PolarHBondContact O-N 3.45Å; Q981-K984 VanDerWaalsContact O-N 3.15Å; Q981-V985 VanDerWaalsContact O-CG2 3.3Å; Q981-V985 WeakPolarHBondContact O-CG2 3.28Å; Q981-V985 PolarHBondContact O-N 3.31Å
982	R	85.3	Confident	83.5	Confident	130 Å²	130	72.3 Å²	72.3	49%	0.491	37%	0.37	S	S	.	.	H	α-helix	trans	-59.5	-42.2	175.2	-172.3	174.6	-180	-104.6	-3.5	112.1	P978 E979 V985 L986	P978-R982 PolarHBondContact O-N 3.43Å; E979-R982 PolarHBondContact O-N 2.89Å; R982-V985 PolarHBondContact O-N 2.97Å; R982-L986 WeakPolarHBondContact O-CG 3.42Å; R982-L986 PolarHBondContact O-N 2.89Å
983	K	87.1	Confident	84	Confident	129 Å²	129	72.4 Å²	72.4	56%	0.561	37%	0.37	S	S	*	.	H	α-helix	trans	-58.8	-49.8	172.2	-75.6	171.9	-176.9	175.8	0	110.9	E979 E980 Q981 V985 L986 V987	E979-K983 WeakPolarHBondContact O-CB 3.36Å; E979-K983 WeakPolarHBondContact O-CG 3.34Å; E979-K983 PolarHBondContact O-N 3.3Å; E980-K983 PolarHBondContact O-N 2.81Å; Q981-K983 VanDerWaalsContact C-N 3.35Å; Q981-K983 PolarHBondContact O-N 2.9Å; K983-V985 VanDerWaalsContact C-N 3.28Å; K983-V985 PolarHBondContact O-N 2.84Å; K983-L986 WeakPolarHBondContact O-CB 3.28Å; K983-L986 PolarHBondContact O-N 3.32Å; K983-L986 VanDerWaalsContact O-N 3.09Å; K983-V987 WeakPolarHBondContact O-CG2 3.43Å; K983-V987 PolarHBondContact O-N 3.44Å
984	K	87.1	Confident	85.1	Confident	37 Å²	37	70.9 Å²	70.9	16%	0.161	35%	0.354	C	S	.	.	H	α-helix	trans	-62.2	-32.6	178.4	-70.9	175.3	178.9	176.8	0	113.1	I801 E980 Q981 V987 L988	I801-K984 HydrophobicContact CG1-CB 4Å; E980-K984 WeakPolarHBondContact O-CG 3.32Å; E980-K984 PolarHBondContact O-N 3.31Å; E980-K984 VanDerWaalsContact O-N 3.07Å; Q981-K984 PolarHBondContact O-N 3.45Å; Q981-K984 VanDerWaalsContact O-N 3.15Å; K984-V987 PolarHBondContact O-N 2.62Å; K984-L988 WeakPolarHBondContact O-CB 3.35Å; K984-L988 PolarHBondContact O-N 3.35Å
985	V	89.3	Confident	86.6	Confident	1 Å²	1	67 Å²	67	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-69.5	-38.9	172.6	171.3	0	0	0	0	112.2	I801 Y895 M971 V972 L977 Q981 R982 K983 V987 L988 K989	I801-V985 HydrophobicContact CD1-CG2 4.26Å; Y895-V985 HydrophobicContact CE1-CG1 4.22Å; Y895-V985 HydrophobicContact CE1-CG2 3.9Å; Y895-V985 HydrophobicContact CE2-CG2 4.17Å; Y895-V985 VanDerWaalsContact OH-CG2 3.23Å; Y895-V985 WeakPolarHBondContact OH-CG2 3.49Å; M971-V985 HydrophobicContact CB-CG1 4.16Å; M971-V985 HydrophobicContact CE-CG1 4.16Å; V972-V985 HydrophobicContact CG2-CG1 4.28Å; L977-V985 HydrophobicContact CD1-CG2 4.19Å; Q981-V985 VanDerWaalsContact O-CG2 3.3Å; Q981-V985 WeakPolarHBondContact O-CG2 3.28Å; Q981-V985 PolarHBondContact O-N 3.31Å; R982-V985 PolarHBondContact O-N 2.97Å; K983-V985 VanDerWaalsContact C-N 3.28Å; K983-V985 PolarHBondContact O-N 2.84Å; V985-V987 VanDerWaalsContact C-N 3.33Å; V985-V987 PolarHBondContact O-N 2.92Å; V985-L988 PolarHBondContact O-N 3.41Å; V985-K989 WeakPolarHBondContact O-CB 3.22Å; V985-K989 PolarHBondContact O-N 3.12Å
986	L	90.1	Very high	87.9	Confident	66 Å²	66	62.5 Å²	62.5	35%	0.346	29%	0.293	S	S	.	.	H	α-helix	trans	-61.5	-42.1	173.2	-68.5	168.9	0	0	0	111.6	L968 R982 K983 K989 D990	L968-L986 HydrophobicContact CD1-CD2 3.4Å; L968-L986 HydrophobicContact CG-CD2 3.95Å; R982-L986 WeakPolarHBondContact O-CG 3.42Å; R982-L986 PolarHBondContact O-N 2.89Å; K983-L986 WeakPolarHBondContact O-CB 3.28Å; K983-L986 PolarHBondContact O-N 3.32Å; K983-L986 VanDerWaalsContact O-N 3.09Å; L986-K989 WeakPolarHBondContact O-CB 3.34Å; L986-K989 PolarHBondContact O-N 2.79Å; L986-D990 PolarHBondContact O-N 3.26Å
987	V	92.4	Very high	89.2	Confident	31 Å²	31	53.5 Å²	53.5	19%	0.188	26%	0.263	C	S	.	.	H	α-helix	trans	-73.2	-31.5	178.1	-171.1	0	0	0	0	111.6	K983 K984 V985 D990 L991 H1012 P1013 F1014	K983-V987 WeakPolarHBondContact O-CG2 3.43Å; K983-V987 PolarHBondContact O-N 3.44Å; K984-V987 PolarHBondContact O-N 2.62Å; V985-V987 VanDerWaalsContact C-N 3.33Å; V985-V987 PolarHBondContact O-N 2.92Å; V987-D990 PolarHBondContact O-N 3.41Å; V987-L991 PolarHBondContact O-N 3.19Å; V987-L991 VanDerWaalsContact O-N 3.12Å; V987-H1012 PolarHBondContact O-CE1 3.37Å; V987-H1012 VanDerWaalsContact O-CE1 3.29Å; V987-P1013 HydrophobicContact CG1-CB 3.88Å; V987-F1014 HydrophobicContact CG1-CB 3.84Å; V987-F1014 VanDerWaalsContact CG1-N 3.31Å
988	L	92.1	Very high	90	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.9	-41.5	168.7	177.3	57.3	0	0	0	111.7	I801 V804 Y895 M971 K984 V985 D990 L991 I992 F1014	I801-L988 HydrophobicContact CD1-CB 4.27Å; I801-L988 HydrophobicContact CD1-CD2 3.51Å; V804-L988 HydrophobicContact CG1-CD2 4.05Å; Y895-L988 HydrophobicContact CD1-CD2 4.39Å; Y895-L988 HydrophobicContact CD2-CD2 4.49Å; Y895-L988 HydrophobicContact CG-CD2 4.03Å; M971-L988 HydrophobicContact CE-CB 4.11Å; M971-L988 HydrophobicContact CE-CD2 3.53Å; M971-L988 HydrophobicContact CE-CG 3.63Å; K984-L988 WeakPolarHBondContact O-CB 3.35Å; K984-L988 PolarHBondContact O-N 3.35Å; V985-L988 PolarHBondContact O-N 3.41Å; L988-D990 VanDerWaalsContact C-N 3.3Å; L988-D990 PolarHBondContact O-N 3.08Å; L988-L991 HydrophobicContact CD1-CD2 4.47Å; L988-L991 PolarHBondContact O-N 3.09Å; L988-I992 HydrophobicContact CD1-CD1 3.8Å; L988-I992 HydrophobicContact CD1-CG1 3.97Å; L988-I992 HydrophobicContact CD2-CD1 4.36Å; L988-I992 HydrophobicContact CG-CD1 3.74Å; L988-I992 HydrophobicContact CG-CG1 4.33Å; L988-I992 WeakPolarHBondContact O-CB 3.43Å; L988-I992 WeakPolarHBondContact O-CG1 3.38Å; L988-I992 PolarHBondContact O-N 3.37Å; L988-F1014 HydrophobicContact CB-CD2 3.91Å; L988-F1014 HydrophobicContact CB-CE2 3.67Å; L988-F1014 HydrophobicContact CB-CG 4.46Å; L988-F1014 HydrophobicContact CB-CZ 3.99Å; L988-F1014 HydrophobicContact CD1-CD1 4.1Å; L988-F1014 HydrophobicContact CD1-CE1 3.68Å; L988-F1014 HydrophobicContact CD1-CE2 4.36Å; L988-F1014 HydrophobicContact CD1-CZ 3.83Å; L988-F1014 HydrophobicContact CD2-CZ 4.16Å; L988-F1014 HydrophobicContact CG-CE2 4.38Å; L988-F1014 HydrophobicContact CG-CZ 4.19Å
989	K	92.5	Very high	90.5	Very high	57 Å²	57	50.5 Å²	50.5	25%	0.248	24%	0.242	C	C	.	.	H	α-helix	trans	-59.5	-42	176	177.8	-83.7	-170.2	-163.6	0	110.9	L967 M971 V985 L986 I992 D993	L967-K989 HydrophobicContact CB-CG 4.05Å; M971-K989 HydrophobicContact SD-CB 4.05Å; V985-K989 WeakPolarHBondContact O-CB 3.22Å; V985-K989 PolarHBondContact O-N 3.12Å; L986-K989 WeakPolarHBondContact O-CB 3.34Å; L986-K989 PolarHBondContact O-N 2.79Å; K989-I992 PolarHBondContact O-N 2.92Å; K989-D993 WeakPolarHBondContact CD-OD2 3.45Å; K989-D993 WeakPolarHBondContact CE-OD2 3.33Å; K989-D993 IonicContact NZ-OD2 2.8Å; K989-D993 PolarHBondContact NZ-OD2 3.1Å; K989-D993 WeakPolarHBondContact O-CB 3.29Å; K989-D993 PolarHBondContact O-N 3.34Å
990	D	93.3	Very high	91.1	Very high	96 Å²	96	44 Å²	44	51%	0.513	21%	0.213	S	C	.	.	H	α-helix	trans	-62.9	-45.2	175.4	-164.6	54.5	0	0	0	112.5	L986 V987 L988 D993 G994 H1012	L986-D990 PolarHBondContact O-N 3.26Å; V987-D990 PolarHBondContact O-N 3.41Å; L988-D990 VanDerWaalsContact C-N 3.3Å; L988-D990 PolarHBondContact O-N 3.08Å; D990-D993 WeakPolarHBondContact O-CB 3.48Å; D990-D993 PolarHBondContact O-N 2.92Å; D990-G994 PolarHBondContact O-N 2.84Å; D990-H1012 IonicContact OD2-CE1 3.77Å; D990-H1012 IonicContact OD2-NE2 3.73Å; D990-H1012 PolarHBondContact OD2-NE2 3.11Å
991	L	94.1	Very high	91.6	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-59.3	-49.6	173.8	177.7	61.9	0	0	0	111.9	T808 F812 L891 V987 L988 D993 G994 T995 I1004 A1009 H1012 F1014	T808-L991 HydrophobicContact CG2-CD2 3.64Å; F812-L991 HydrophobicContact CE2-CD1 4.09Å; F812-L991 HydrophobicContact CE2-CD2 4.01Å; F812-L991 HydrophobicContact CZ-CD1 4.2Å; F812-L991 HydrophobicContact CZ-CD2 4.34Å; L891-L991 HydrophobicContact CD1-CD2 4.47Å; V987-L991 PolarHBondContact O-N 3.19Å; V987-L991 VanDerWaalsContact O-N 3.12Å; L988-L991 HydrophobicContact CD1-CD2 4.47Å; L988-L991 PolarHBondContact O-N 3.09Å; L991-D993 VanDerWaalsContact C-N 3.3Å; L991-D993 PolarHBondContact O-N 2.91Å; L991-G994 PolarHBondContact O-N 3.09Å; L991-G994 VanDerWaalsContact O-N 3.13Å; L991-T995 PolarHBondContact O-N 3.2Å; L991-I1004 HydrophobicContact CD1-CD1 4.12Å; L991-A1009 HydrophobicContact CD1-CB 4.4Å; L991-H1012 HydrophobicContact CD1-CB 4.07Å; L991-F1014 HydrophobicContact CD2-CB 4.3Å; L991-F1014 HydrophobicContact CD2-CD1 3.73Å; L991-F1014 HydrophobicContact CD2-CG 4.35Å
992	I	94.1	Very high	92.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-44.1	178.2	-72.3	171.4	0	0	0	109.5	L891 L967 M971 L988 K989 G994 T995 L996	L891-I992 HydrophobicContact CB-CD1 4.45Å; L891-I992 HydrophobicContact CB-CG1 4.39Å; L967-I992 HydrophobicContact CD1-CG2 4.12Å; M971-I992 HydrophobicContact CE-CD1 3.99Å; M971-I992 HydrophobicContact SD-CD1 4.24Å; L988-I992 HydrophobicContact CD1-CD1 3.8Å; L988-I992 HydrophobicContact CD1-CG1 3.97Å; L988-I992 HydrophobicContact CD2-CD1 4.36Å; L988-I992 HydrophobicContact CG-CD1 3.74Å; L988-I992 HydrophobicContact CG-CG1 4.33Å; L988-I992 WeakPolarHBondContact O-CB 3.43Å; L988-I992 WeakPolarHBondContact O-CG1 3.38Å; L988-I992 PolarHBondContact O-N 3.37Å; K989-I992 PolarHBondContact O-N 2.92Å; I992-G994 VanDerWaalsContact C-N 3.29Å; I992-G994 PolarHBondContact O-N 3.28Å; I992-T995 WeakPolarHBondContact CA-OG1 3.4Å; I992-T995 PolarHBondContact O-N 3.44Å; I992-T995 VanDerWaalsContact O-N 3.1Å; I992-T995 PolarHBondContact O-OG1 3.16Å; I992-L996 HydrophobicContact CG2-CD1 3.41Å; I992-L996 VanDerWaalsContact CG2-CD1 3.41Å; I992-L996 HydrophobicContact CG2-CG 4.06Å; I992-L996 WeakPolarHBondContact O-CB 3.41Å; I992-L996 VanDerWaalsContact O-CG 3.31Å; I992-L996 WeakPolarHBondContact O-CG 3.34Å; I992-L996 PolarHBondContact O-N 3.46Å
993	D	92.8	Very high	92.5	Very high	29 Å²	29	39.7 Å²	39.7	16%	0.155	21%	0.212	C	C	.	.	H	α-helix	trans	-57.8	-38.9	175.1	-95.3	-36.9	0	0	0	112.9	K917 K989 D990 L991	K917-D993 PolarHBondContact NZ-O 2.97Å; K917-D993 IonicContact NZ-OD1 3.28Å; K917-D993 PolarHBondContact NZ-OD1 3.3Å; K989-D993 WeakPolarHBondContact CD-OD2 3.45Å; K989-D993 WeakPolarHBondContact CE-OD2 3.33Å; K989-D993 IonicContact NZ-OD2 2.8Å; K989-D993 PolarHBondContact NZ-OD2 3.1Å; K989-D993 WeakPolarHBondContact O-CB 3.29Å; K989-D993 PolarHBondContact O-N 3.34Å; D990-D993 WeakPolarHBondContact O-CB 3.48Å; D990-D993 PolarHBondContact O-N 2.92Å; L991-D993 VanDerWaalsContact C-N 3.3Å; L991-D993 PolarHBondContact O-N 2.91Å
994	G	92.3	Very high	92.9	Very high	21 Å²	21	34.9 Å²	34.9	22%	0.216	19%	0.192	C	C	.	.	H	α-helix	trans	-68.9	-33.3	174.6	0	0	0	0	0	114.1	D990 L991 I992 R1003 I1004	D990-G994 PolarHBondContact O-N 2.84Å; L991-G994 PolarHBondContact O-N 3.09Å; L991-G994 VanDerWaalsContact O-N 3.13Å; I992-G994 VanDerWaalsContact C-N 3.29Å; I992-G994 PolarHBondContact O-N 3.28Å; G994-R1003 WeakPolarHBondContact O-CA 3.18Å; G994-I1004 PolarHBondContact O-N 3.01Å
995	T	94.3	Very high	93.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-74.9	-34.8	174.5	61.5	0	0	0	0	113	F812 M884 G888 L991 I992 M997 R1003 I1004	F812-T995 HydrophobicContact CZ-CG2 4.34Å; M884-T995 HydrophobicContact CG-CG2 4.24Å; M884-T995 HydrophobicContact SD-CG2 3.71Å; G888-T995 VanDerWaalsContact CA-OG1 3.26Å; G888-T995 WeakPolarHBondContact CA-OG1 3.5Å; L991-T995 PolarHBondContact O-N 3.2Å; I992-T995 WeakPolarHBondContact CA-OG1 3.4Å; I992-T995 PolarHBondContact O-N 3.44Å; I992-T995 VanDerWaalsContact O-N 3.1Å; I992-T995 PolarHBondContact O-OG1 3.16Å; T995-M997 VanDerWaalsContact C-N 3.32Å; T995-M997 PolarHBondContact O-N 2.84Å; T995-R1003 VanDerWaalsContact O-CD 3.31Å; T995-R1003 WeakPolarHBondContact O-CD 3.42Å; T995-R1003 WeakPolarHBondContact O-CG 3.36Å; T995-I1004 HydrophobicContact CG2-CG2 3.71Å
996	L	95.6	Very high	93.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	25.5	-173.6	-63.3	178	0	0	0	114	W885 L900 F901 L916 K917 I992 L998	W885-L996 HydrophobicContact CD2-CD2 4.03Å; W885-L996 HydrophobicContact CE3-CB 4.49Å; W885-L996 HydrophobicContact CE3-CD2 4.05Å; W885-L996 HydrophobicContact CH2-CD2 4.35Å; W885-L996 HydrophobicContact CZ2-CD2 4.35Å; W885-L996 HydrophobicContact CZ3-CB 4.16Å; W885-L996 HydrophobicContact CZ3-CD2 4.22Å; W885-L996 VanDerWaalsContact CZ3-O 3.32Å; W885-L996 WeakPolarHBondContact CZ3-O 3.46Å; L900-L996 HydrophobicContact CD2-CD1 3.42Å; L900-L996 VanDerWaalsContact CD2-CD1 3.42Å; L900-L996 HydrophobicContact CD2-CD2 4.1Å; L900-L996 HydrophobicContact CD2-CG 4.41Å; F901-L996 HydrophobicContact CE2-CD2 4.17Å; F901-L996 HydrophobicContact CZ-CD1 4.45Å; L916-L996 HydrophobicContact CD2-CB 4.39Å; L916-L996 HydrophobicContact CD2-CD1 3.7Å; K917-L996 WeakPolarHBondContact CE-O 3.49Å; K917-L996 WeakPolarHBondContact CG-O 3.45Å; I992-L996 HydrophobicContact CG2-CD1 3.41Å; I992-L996 VanDerWaalsContact CG2-CD1 3.41Å; I992-L996 HydrophobicContact CG2-CG 4.06Å; I992-L996 WeakPolarHBondContact O-CB 3.41Å; I992-L996 VanDerWaalsContact O-CG 3.31Å; I992-L996 WeakPolarHBondContact O-CG 3.34Å; I992-L996 PolarHBondContact O-N 3.46Å; L996-L998 PolarHBondContact O-N 3.21Å
997	M	94.8	Very high	93.7	Very high	64 Å²	64	37.6 Å²	37.6	32%	0.315	21%	0.212	S	C	.	.			trans	-69.3	128.1	172.6	-68.1	-63	-74.1	0	0	109.9	T995 D999 K1002 R1003	T995-M997 VanDerWaalsContact C-N 3.32Å; T995-M997 PolarHBondContact O-N 2.84Å; M997-D999 PolarHBondContact O-N 3.41Å; M997-K1002 HydrophobicContact CB-CB 4.29Å; M997-K1002 HydrophobicContact CE-CB 4.2Å; M997-K1002 HydrophobicContact CE-CD 4.44Å; M997-R1003 HydrophobicContact CB-CG 3.91Å; M997-R1003 WeakPolarHBondContact O-CG 3.41Å; M997-R1003 PolarHBondContact O-NE 3.08Å; M997-R1003 PolarHBondContact O-NH2 2.85Å
998	L	93.8	Very high	93.7	Very high	9 Å²	9	41.2 Å²	41.2	5%	0.047	23%	0.227	C	C	.	.	S	Bend	trans	-57.5	-49.2	-176.7	-61.5	179.3	0	0	0	111.4	P870 W885 A913 M914 K917 G918 M920 M924 L996 P1000 R1003	P870-L998 HydrophobicContact CG-CD2 4.2Å; W885-L998 HydrophobicContact CH2-CD2 4.03Å; W885-L998 HydrophobicContact CZ3-CD2 4.27Å; A913-L998 HydrophobicContact CB-CD2 3.79Å; M914-L998 HydrophobicContact CG-CD1 4.19Å; K917-L998 HydrophobicContact CB-CD1 3.94Å; K917-L998 HydrophobicContact CB-CD2 4.27Å; K917-L998 HydrophobicContact CB-CG 3.78Å; K917-L998 HydrophobicContact CG-CD2 4.45Å; K917-L998 HydrophobicContact CG-CG 4.22Å; G918-L998 WeakPolarHBondContact O-CD1 3.44Å; M920-L998 HydrophobicContact CB-CD1 4.21Å; M924-L998 WeakPolarHBondContact CE-O 3.43Å; L996-L998 PolarHBondContact O-N 3.21Å; L998-P1000 WeakPolarHBondContact O-CD 3.45Å; L998-R1003 PolarHBondContact O-NH2 2.9Å
999	D	93.8	Very high	93.8	Very high	33 Å²	33	41.2 Å²	41.2	18%	0.176	23%	0.227	C	C	.	.	S	Bend	trans	-72.2	115.1	175	-175.2	-3.4	0	0	0	110.1	P921 M997 A1001 K1002	P921-D999 HydrophobicContact CG-CB 4.45Å; M997-D999 PolarHBondContact O-N 3.41Å; D999-A1001 PolarHBondContact O-N 3.33Å; D999-A1001 PolarHBondContact OD1-N 3.04Å; D999-K1002 HydrophobicContact CB-CB 4.37Å; D999-K1002 HydrophobicContact CB-CD 4.19Å; D999-K1002 HydrophobicContact CB-CG 4.12Å; D999-K1002 PolarHBondContact O-N 2.77Å; D999-K1002 WeakPolarHBondContact OD2-CE 3.26Å
1000	P	93.6	Very high	93.9	Very high	14 Å²	14	39.7 Å²	39.7	9%	0.091	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-59.4	-30.6	-178.1	22.3	-33	0	0	0	112.9	S881 L998 K1002 R1003	S881-P1000 WeakPolarHBondContact OG-CB 3.43Å; L998-P1000 WeakPolarHBondContact O-CD 3.45Å; P1000-K1002 PolarHBondContact O-N 3.41Å; P1000-K1002 VanDerWaalsContact O-N 3.16Å; P1000-R1003 PolarHBondContact O-N 2.89Å
1001	A	92.4	Very high	93.9	Very high	93 Å²	93	41.9 Å²	41.9	77%	0.769	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-68.2	-12.3	177.7	0	0	0	0	0	113.6	D999	D999-A1001 PolarHBondContact O-N 3.33Å; D999-A1001 PolarHBondContact OD1-N 3.04Å
1002	K	93.1	Very high	93.9	Very high	132 Å²	132	42.7 Å²	42.7	57%	0.574	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-107.1	2.6	178.1	-59.7	-173.2	-176.7	-172.8	0	113.4	M997 D999 P1000	M997-K1002 HydrophobicContact CB-CB 4.29Å; M997-K1002 HydrophobicContact CE-CB 4.2Å; M997-K1002 HydrophobicContact CE-CD 4.44Å; D999-K1002 HydrophobicContact CB-CB 4.37Å; D999-K1002 HydrophobicContact CB-CD 4.19Å; D999-K1002 HydrophobicContact CB-CG 4.12Å; D999-K1002 PolarHBondContact O-N 2.77Å; D999-K1002 WeakPolarHBondContact OD2-CE 3.26Å; P1000-K1002 PolarHBondContact O-N 3.41Å; P1000-K1002 VanDerWaalsContact O-N 3.16Å
1003	R	94.9	Very high	93.7	Very high	20 Å²	20	45.9 Å²	45.9	8%	0.075	25%	0.253	C	S	.	.	S	Bend	trans	-73.6	150.9	176.3	-68.9	-179.3	-165.2	145.2	18.4	110.8	E871 S881 G994 T995 M997 L998 P1000 S1005	E871-R1003 VanDerWaalsContact CD-NH2 3.35Å; E871-R1003 IonicContact OE1-CZ 4Å; E871-R1003 IonicContact OE1-NH1 3.41Å; E871-R1003 PolarHBondContact OE1-NH1 3.37Å; E871-R1003 IonicContact OE1-NH2 2.68Å; E871-R1003 PolarHBondContact OE1-NH2 3.24Å; E871-R1003 IonicContact OE2-CZ 3.47Å; E871-R1003 IonicContact OE2-NH1 3.85Å; E871-R1003 IonicContact OE2-NH2 2.64Å; E871-R1003 PolarHBondContact OE2-NH2 3.1Å; S881-R1003 VanDerWaalsContact C-NH1 3.34Å; S881-R1003 PolarHBondContact O-NH1 3.37Å; G994-R1003 WeakPolarHBondContact O-CA 3.18Å; T995-R1003 VanDerWaalsContact O-CD 3.31Å; T995-R1003 WeakPolarHBondContact O-CD 3.42Å; T995-R1003 WeakPolarHBondContact O-CG 3.36Å; M997-R1003 HydrophobicContact CB-CG 3.91Å; M997-R1003 WeakPolarHBondContact O-CG 3.41Å; M997-R1003 PolarHBondContact O-NE 3.08Å; M997-R1003 PolarHBondContact O-NH2 2.85Å; L998-R1003 PolarHBondContact O-NH2 2.9Å; P1000-R1003 PolarHBondContact O-N 2.89Å; R1003-S1005 PolarHBondContact O-N 3.41Å
1004	I	94.8	Very high	93.6	Very high	28 Å²	28	44.8 Å²	44.8	14%	0.144	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-58.2	131.9	172.5	-167.3	169.1	0	0	0	110.6	M884 L991 G994 T995 Q1008 A1009	M884-I1004 HydrophobicContact SD-CG2 4.27Å; L991-I1004 HydrophobicContact CD1-CD1 4.12Å; G994-I1004 PolarHBondContact O-N 3.01Å; T995-I1004 HydrophobicContact CG2-CG2 3.71Å; I1004-Q1008 HydrophobicContact CD1-CB 4.17Å; I1004-Q1008 HydrophobicContact CG1-CB 3.64Å; I1004-A1009 HydrophobicContact CD1-CB 4.1Å; I1004-A1009 HydrophobicContact CG1-CB 4.2Å; I1004-A1009 HydrophobicContact CG2-CB 4.28Å
1005	S	94.9	Very high	93.5	Very high	48 Å²	48	44.1 Å²	44.1	34%	0.336	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-75	154.9	175.1	70.6	0	0	0	0	111.3	R1003 N1007 Q1008 A1009	R1003-S1005 PolarHBondContact O-N 3.41Å; S1005-N1007 VanDerWaalsContact C-N 3.25Å; S1005-N1007 PolarHBondContact O-N 3.01Å; S1005-Q1008 PolarHBondContact O-N 3.2Å; S1005-Q1008 WeakPolarHBondContact OG-CG 3.35Å; S1005-Q1008 PolarHBondContact OG-N 3.07Å; S1005-Q1008 PolarHBondContact OG-OE1 3.4Å; S1005-A1009 WeakPolarHBondContact O-CB 3.37Å; S1005-A1009 PolarHBondContact O-N 2.92Å
1006	I	94.5	Very high	93.2	Very high	21 Å²	21	49.4 Å²	49.4	11%	0.108	26%	0.263	C	S	.	.	H	α-helix	trans	-55.2	-39.5	-177.9	-59.4	159.6	0	0	0	112.3	F812 L815 K816 K819 M884 A1009 L1010	F812-I1006 VanDerWaalsContact O-CG2 3.29Å; F812-I1006 WeakPolarHBondContact O-CG2 3.34Å; L815-I1006 HydrophobicContact CB-CD1 3.9Å; L815-I1006 HydrophobicContact CB-CG1 4.08Å; L815-I1006 HydrophobicContact CB-CG2 4.4Å; L815-I1006 WeakPolarHBondContact O-CD1 3.35Å; K816-I1006 HydrophobicContact CB-CG2 3.88Å; K819-I1006 HydrophobicContact CB-CD1 3.89Å; K819-I1006 HydrophobicContact CD-CD1 3.82Å; K819-I1006 HydrophobicContact CG-CD1 4.46Å; M884-I1006 HydrophobicContact CE-CB 4.22Å; M884-I1006 HydrophobicContact CE-CG1 3.5Å; M884-I1006 VanDerWaalsContact CE-CG1 3.5Å; I1006-A1009 PolarHBondContact O-N 2.87Å; I1006-L1010 HydrophobicContact CG2-CD1 4.27Å; I1006-L1010 WeakPolarHBondContact O-CG 3.44Å; I1006-L1010 PolarHBondContact O-N 3.4Å
1007	N	93.3	Very high	92.2	Very high	92 Å²	92	53.4 Å²	53.4	49%	0.492	28%	0.282	S	S	.	.	H	α-helix	trans	-68.5	-41.6	178.3	-69.7	-31.4	0	0	0	112.1	S1005 A1009 L1010 Q1011	S1005-N1007 VanDerWaalsContact C-N 3.25Å; S1005-N1007 PolarHBondContact O-N 3.01Å; N1007-A1009 VanDerWaalsContact C-N 3.33Å; N1007-L1010 PolarHBondContact O-N 2.93Å; N1007-Q1011 WeakPolarHBondContact O-CG 3.16Å; N1007-Q1011 PolarHBondContact O-N 2.92Å; N1007-Q1011 VanDerWaalsContact O-N 3.08Å
1008	Q	93.6	Very high	90.3	Very high	108 Å²	108	59.8 Å²	59.8	51%	0.505	31%	0.308	S	S	.	.	H	α-helix	trans	-65.5	-37.6	174	-71.9	162.3	-33.8	0	0	111.5	I1004 S1005 Q1011 H1012	I1004-Q1008 HydrophobicContact CD1-CB 4.17Å; I1004-Q1008 HydrophobicContact CG1-CB 3.64Å; S1005-Q1008 PolarHBondContact O-N 3.2Å; S1005-Q1008 WeakPolarHBondContact OG-CG 3.35Å; S1005-Q1008 PolarHBondContact OG-N 3.07Å; S1005-Q1008 PolarHBondContact OG-OE1 3.4Å; Q1008-Q1011 CarbonylContact O-C 3.6Å; Q1008-Q1011 PolarHBondContact O-N 3.47Å; Q1008-H1012 PolarHBondContact O-N 3Å
1009	A	93.9	Very high	88.1	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-64.4	-41.4	177.2	0	0	0	0	0	111.8	F812 M884 L991 I1004 S1005 I1006 N1007 Q1011 H1012 I1015	F812-A1009 HydrophobicContact CD1-CB 4.37Å; F812-A1009 HydrophobicContact CD2-CB 3.75Å; F812-A1009 HydrophobicContact CE1-CB 4.22Å; F812-A1009 HydrophobicContact CE2-CB 3.58Å; F812-A1009 HydrophobicContact CG-CB 4.16Å; F812-A1009 HydrophobicContact CZ-CB 3.84Å; M884-A1009 HydrophobicContact CE-CB 4.43Å; L991-A1009 HydrophobicContact CD1-CB 4.4Å; I1004-A1009 HydrophobicContact CD1-CB 4.1Å; I1004-A1009 HydrophobicContact CG1-CB 4.2Å; I1004-A1009 HydrophobicContact CG2-CB 4.28Å; S1005-A1009 WeakPolarHBondContact O-CB 3.37Å; S1005-A1009 PolarHBondContact O-N 2.92Å; I1006-A1009 PolarHBondContact O-N 2.87Å; N1007-A1009 VanDerWaalsContact C-N 3.33Å; A1009-Q1011 VanDerWaalsContact C-N 3.32Å; A1009-Q1011 PolarHBondContact O-N 3.44Å; A1009-H1012 WeakPolarHBondContact O-CB 3.26Å; A1009-H1012 PolarHBondContact O-N 2.82Å; A1009-I1015 WeakPolarHBondContact O-CD1 3.48Å
1010	L	93.3	Very high	87.8	Confident	24 Å²	24	67.5 Å²	67.5	13%	0.126	35%	0.347	C	S	.	.	H	α-helix	trans	-66.2	-30.4	172.2	-73.8	169.1	0	0	0	113.4	Q809 F812 L813 K816 I1006 N1007 H1012 Q1016	Q809-L1010 HydrophobicContact CG-CD2 4.46Å; F812-L1010 HydrophobicContact CB-CD2 3.64Å; F812-L1010 HydrophobicContact CB-CG 3.88Å; L813-L1010 HydrophobicContact CD2-CD1 4.29Å; L813-L1010 HydrophobicContact CD2-CD2 4.31Å; L813-L1010 HydrophobicContact CG-CD2 4.28Å; K816-L1010 HydrophobicContact CD-CD1 4.08Å; I1006-L1010 HydrophobicContact CG2-CD1 4.27Å; I1006-L1010 WeakPolarHBondContact O-CG 3.44Å; I1006-L1010 PolarHBondContact O-N 3.4Å; N1007-L1010 PolarHBondContact O-N 2.93Å; L1010-H1012 VanDerWaalsContact C-N 3.33Å; L1010-Q1016 PolarHBondContact O-NE2 2.93Å
1011	Q	93.9	Very high	87.5	Confident	142 Å²	142	70.3 Å²	70.3	66%	0.664	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-3.1	175.4	-70.9	175.1	-10.9	0	0	113.5	N1007 Q1008 A1009 Q1016	N1007-Q1011 WeakPolarHBondContact O-CG 3.16Å; N1007-Q1011 PolarHBondContact O-N 2.92Å; N1007-Q1011 VanDerWaalsContact O-N 3.08Å; Q1008-Q1011 CarbonylContact O-C 3.6Å; Q1008-Q1011 PolarHBondContact O-N 3.47Å; A1009-Q1011 VanDerWaalsContact C-N 3.32Å; A1009-Q1011 PolarHBondContact O-N 3.44Å; Q1011-Q1016 WeakPolarHBondContact O-CG 3.4Å
1012	H	93.9	Very high	87.2	Confident	18 Å²	18	69 Å²	69	8%	0.083	34%	0.337	C	S	.	.	S	Bend	trans	-62	141.3	-175.8	-164.6	-96.2	0	0	0	111.8	V987 D990 L991 Q1008 A1009 L1010 F1014 I1015 Q1016	V987-H1012 PolarHBondContact O-CE1 3.37Å; V987-H1012 VanDerWaalsContact O-CE1 3.29Å; D990-H1012 IonicContact OD2-CE1 3.77Å; D990-H1012 IonicContact OD2-NE2 3.73Å; D990-H1012 PolarHBondContact OD2-NE2 3.11Å; L991-H1012 HydrophobicContact CD1-CB 4.07Å; Q1008-H1012 PolarHBondContact O-N 3Å; A1009-H1012 WeakPolarHBondContact O-CB 3.26Å; A1009-H1012 PolarHBondContact O-N 2.82Å; L1010-H1012 VanDerWaalsContact C-N 3.33Å; H1012-F1014 WeakPolarHBondContact ND1-CB 3.47Å; H1012-F1014 PolarHBondContact ND1-N 2.85Å; H1012-F1014 PolarHBondContact O-N 3.28Å; H1012-I1015 PolarHBondContact O-N 3.11Å; H1012-Q1016 PolarHBondContact O-N 3.23Å; H1012-Q1016 VanDerWaalsContact O-N 3.14Å
1013	P	91.3	Very high	86.9	Confident	68 Å²	68	65.3 Å²	65.3	44%	0.442	32%	0.324	S	S	.	.	H	α-helix	trans	-52.6	-33.7	-179.1	-29	35.8	0	0	0	113.7	V987 I1015 Q1016 E1017	V987-P1013 HydrophobicContact CG1-CB 3.88Å; P1013-I1015 PolarHBondContact O-N 2.97Å; P1013-I1015 VanDerWaalsContact O-N 3.12Å; P1013-Q1016 PolarHBondContact O-N 2.98Å; P1013-E1017 WeakPolarHBondContact O-CG 3.22Å; P1013-E1017 PolarHBondContact O-N 3.02Å
1014	F	90.8	Very high	86.4	Confident	5 Å²	5	68.1 Å²	68.1	2%	0.022	34%	0.339	C	S	.	.	H	α-helix	trans	-52.8	-34.5	175.1	-173.9	-117.6	0	0	0	113.7	I801 R805 T808 V987 L988 L991 H1012	I801-F1014 HydrophobicContact CD1-CE2 3.78Å; I801-F1014 HydrophobicContact CD1-CZ 3.86Å; I801-F1014 HydrophobicContact CG1-CE2 4.04Å; I801-F1014 HydrophobicContact CG1-CZ 4.35Å; R805-F1014 HydrophobicContact CB-CE1 3.75Å; R805-F1014 HydrophobicContact CB-CE2 4.34Å; R805-F1014 HydrophobicContact CB-CZ 3.64Å; R805-F1014 WeakPolarHBondContact CD-O 3.4Å; R805-F1014 HydrophobicContact CG-CD1 4.41Å; R805-F1014 HydrophobicContact CG-CE1 4.12Å; R805-F1014 HydrophobicContact CG-CZ 4.32Å; R805-F1014 WeakPolarHBondContact CG-O 3.33Å; R805-F1014 VanDerWaalsContact CZ-O 3.24Å; R805-F1014 PolarHBondContact NE-O 2.87Å; R805-F1014 PolarHBondContact NH1-O 2.86Å; T808-F1014 HydrophobicContact CG2-CD1 4.28Å; T808-F1014 HydrophobicContact CG2-CE1 4.37Å; V987-F1014 HydrophobicContact CG1-CB 3.84Å; V987-F1014 VanDerWaalsContact CG1-N 3.31Å; L988-F1014 HydrophobicContact CB-CD2 3.91Å; L988-F1014 HydrophobicContact CB-CE2 3.67Å; L988-F1014 HydrophobicContact CB-CG 4.46Å; L988-F1014 HydrophobicContact CB-CZ 3.99Å; L988-F1014 HydrophobicContact CD1-CD1 4.1Å; L988-F1014 HydrophobicContact CD1-CE1 3.68Å; L988-F1014 HydrophobicContact CD1-CE2 4.36Å; L988-F1014 HydrophobicContact CD1-CZ 3.83Å; L988-F1014 HydrophobicContact CD2-CZ 4.16Å; L988-F1014 HydrophobicContact CG-CE2 4.38Å; L988-F1014 HydrophobicContact CG-CZ 4.19Å; L991-F1014 HydrophobicContact CD2-CB 4.3Å; L991-F1014 HydrophobicContact CD2-CD1 3.73Å; L991-F1014 HydrophobicContact CD2-CG 4.35Å; H1012-F1014 WeakPolarHBondContact ND1-CB 3.47Å; H1012-F1014 PolarHBondContact ND1-N 2.85Å; H1012-F1014 PolarHBondContact O-N 3.28Å
1015	I	89.9	Confident	85.8	Confident	7 Å²	7	70.8 Å²	70.8	4%	0.036	35%	0.352	C	S	.	.	H	α-helix	trans	-98.2	-25.9	-177.4	-55.7	-177.3	0	0	0	111.6	R805 T808 Q809 F812 A1009 H1012 P1013	R805-I1015 VanDerWaalsContact CZ-C 3.46Å; R805-I1015 PolarHBondContact NE-O 3.46Å; R805-I1015 PolarHBondContact NH2-O 3.19Å; T808-I1015 HydrophobicContact CG2-CD1 3.7Å; T808-I1015 HydrophobicContact CG2-CG1 4.14Å; Q809-I1015 HydrophobicContact CB-CG2 3.93Å; Q809-I1015 HydrophobicContact CG-CG2 3.88Å; F812-I1015 HydrophobicContact CD2-CD1 3.61Å; F812-I1015 HydrophobicContact CE2-CD1 3.86Å; A1009-I1015 WeakPolarHBondContact O-CD1 3.48Å; H1012-I1015 PolarHBondContact O-N 3.11Å; P1013-I1015 PolarHBondContact O-N 2.97Å; P1013-I1015 VanDerWaalsContact O-N 3.12Å
1016	Q	86.5	Confident	85.2	Confident	111 Å²	111	72.4 Å²	72.4	52%	0.519	35%	0.353	S	S	.	.	H	α-helix	trans	-87.8	-36.1	-176	-65.6	-62.8	-29.8	0	0	114.3	L1010 Q1011 H1012 P1013 K1018	L1010-Q1016 PolarHBondContact O-NE2 2.93Å; Q1011-Q1016 WeakPolarHBondContact O-CG 3.4Å; H1012-Q1016 PolarHBondContact O-N 3.23Å; H1012-Q1016 VanDerWaalsContact O-N 3.14Å; P1013-Q1016 PolarHBondContact O-N 2.98Å; Q1016-K1018 PolarHBondContact O-N 2.6Å
1017	E	75.6	Confident	84.4	Confident	84 Å²	84	76.4 Å²	76.4	39%	0.393	37%	0.372	S	S	.	.	S	Bend	trans	-58.2	109.1	-176.3	-79	-176.4	170.3	0	0	112.2	R805 P1013 I1019	R805-E1017 PolarHBondContact NH1-O 3.19Å; R805-E1017 PolarHBondContact NH2-O 3.19Å; P1013-E1017 WeakPolarHBondContact O-CG 3.22Å; P1013-E1017 PolarHBondContact O-N 3.02Å; E1017-I1019 PolarHBondContact O-N 3.06Å
1018	K	54.5	Low	83.7	Confident	199 Å²	199	75.1 Å²	75.1	87%	0.865	36%	0.362	S	S	*	.			trans	-57.8	142.4	179.6	-68.6	-178	179.3	178.4	0	111.2	Q1016	Q1016-K1018 PolarHBondContact O-N 2.6Å
1019	I	47.3	Very low	82.8	Confident	135 Å²	135	72.1 Å²	72.1	69%	0.692	35%	0.349	S	S	*	.			trans	-76.4	0	-175.9	-72.4	173.5	0	0	0	111.2	K802 E1017	K802-I1019 HydrophobicContact CB-CD1 4.31Å; K802-I1019 HydrophobicContact CD-CD1 4.2Å; K802-I1019 HydrophobicContact CD-CG2 4.01Å; K802-I1019 HydrophobicContact CG-CD1 4.01Å; K802-I1019 VanDerWaalsContact NZ-CG2 3.31Å; E1017-I1019 PolarHBondContact O-N 3.06Å

Retrieved 1,019 of 1,019 residues in 1574.4 ms (Link to these results)

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