A0A096MVG8_PAPAN Loading...

Zinc fingers and homeoboxes protein 2

Acts as a transcriptional repressor. Represses the promoter activity of the CDC25C gene stimulated by NFYA. May play a role in retinal development where it regulates the composition of bipolar cell populations, by promoting differentiation of bipolar OFF-type cells. In the brain, may promote maintenance and suppress differentiation of neural progenitor cells in the developing cortex.

AlphaFold DB (A0A0D9SBA7), UniProt , Accession A0A096MVG8, Species PAPAN (Papio anubis, Olive baboon), Gene ZHX2, Length 837 aa.

						>A0A096MVG8_PAPAN|A0A096MVG8|ZHX2
MASKRKSTTPCMVRTSQVVEQDVPEEVDRAKEKGISTPQPDVAKDSWAAELENSSKENEVIEVKSTGESQSKKLQGGYECKYCPYSTQNLNEFTEHVDMQHPNVILNPLYVCAECNFTTKKYDSLSDHNSKFHPGEANFKLKLIKRNNQTVLEQSIEAANHVVSITTSGPGTGDSDSGISVSKTPIMKPGKPKADAKKVPKKPEEITPENHVEGTARLVTDTAEILSRLGGVELLQDTLGHVMPSVQLPPNINLVPKVPVPLNTTKYNSALDTNATMINSFNKFPYPTQAELSWLTAASKHPEEHIRIWFATQRLKHGISWSPEEVEEARKKMFNGTIQSVPPTITVLPAQLAPTKVTQPILQTALPCQILGQTSLVLTQVTSGSTTVSCSPITLAVAGVTNHGQKRPLVTPQAAPEPKRPHIAQVPEPPPKVANPPPTPASDRKKTKEQIAHLKASFLQSQFPDDAEVYRLIEVTGLARSEIKKWFSDHRYRCQRGIVHITSESLAKDQLAIAASRHGRTYHAYPDFAPQKFKEKTQGQVKILEDSFLKSSFPTQAELDRLRVETKLSRREIDSWFSERRKLRDSMEQAVLDSMGSGKKGQDAGAPNGALSRLDQLSGAQLTSSLPSPSPAIAKSQEQVHLLRSTFARTQWPTPQEYDQLAAKTGLVRTEIVRWFKENRCLLKTGTVKWMEQYQHQPVADDHGYDAVARKATKPIAESPKNGGDVVPQYYKDPKKLCEEDLEKLVPRVKVGSEPAKDCLPAKPSEATSDRSEGSSRDGQGSDENEESSVVDYVEVTVGEEDAISDRSDSWSQAAAEGAVELAESDSDCVPAEAGQA
					

Structure Viewer

Loading PAE data...

(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	34.3	Very low	38.1	Very low	252 Å²	252	138.2 Å²	138.2	100%	1.241	75%	0.745	S	S	*	*				0	150.1	0	-79.3	-57.2	-176.6	0	0	109.3
2	A	33.8	Very low	39	Very low	93 Å²	93	136.5 Å²	136.5	77%	0.769	73%	0.732	S	S	*	*			trans	-130.6	126.7	-171.4	0	0	0	0	0	112.9
3	S	30.3	Very low	39.2	Very low	101 Å²	101	131.8 Å²	131.8	71%	0.706	71%	0.71	S	S	*	*			trans	179.6	151.9	159.4	-85.5	0	0	0	0	109.8
4	K	40.3	Very low	39.1	Very low	178 Å²	178	136.5 Å²	136.5	77%	0.774	71%	0.713	S	S	*	*			cis	-159.5	137.2	-16.3	-113.6	162.8	-169.2	170.7	0	108.4
5	R	45	Very low	38.8	Very low	231 Å²	231	134.3 Å²	134.3	87%	0.872	71%	0.708	S	S	*	*			trans	20.1	131.9	149.5	-53.3	177	-178.4	-166.5	-1.6	119.5
6	K	34.2	Very low	38.5	Very low	211 Å²	211	132.8 Å²	132.8	92%	0.917	71%	0.711	S	S	*	*				-133.5	150.2	114.1	-64.9	-166.9	-177.7	-179.2	0	108.7
7	S	33.4	Very low	38	Very low	107 Å²	107	134.5 Å²	134.5	75%	0.748	71%	0.714	S	S	*	*			trans	-100.1	136.6	-173.9	-170.1	0	0	0	0	110.9	T9	S7-T9 PolarHBondContact O-N 3.25Å
8	T	39.5	Very low	37.5	Very low	132 Å²	132	133.8 Å²	133.8	81%	0.81	72%	0.716	S	S	*	*			trans	-80.7	108.1	168.6	-49.1	0	0	0	0	108.8
9	T	37.4	Very low	37.4	Very low	105 Å²	105	132.9 Å²	132.9	64%	0.644	72%	0.715	S	S	*	*			trans	-86.2	138.5	-179.3	-53.4	0	0	0	0	110	S7	S7-T9 PolarHBondContact O-N 3.25Å
10	P	43.5	Very low	37.1	Very low	95 Å²	95	136.2 Å²	136.2	62%	0.617	73%	0.726	S	S	*	*			trans	-68.4	153.6	-177.3	27.8	-35.8	0	0	0	113.1
11	C	47.8	Very low	36.7	Very low	15 Å²	15	138.1 Å²	138.1	10%	0.101	73%	0.731	C	S	.	*	S	Bend	trans	-98.7	12.3	-171.7	58.3	0	0	0	0	115.4	K81 Y82	C11-K81 HydrophobicContact CB-CB 4.09Å; C11-K81 HydrophobicContact CB-CG 4.15Å; C11-Y82 HydrophobicContact CB-CE2 3.82Å
12	M	48.6	Very low	36.3	Very low	118 Å²	118	133.2 Å²	133.2	58%	0.581	71%	0.71	S	S	*	*			trans	-107.6	125.8	173.5	-63.2	-166.4	-56.6	0	0	110.5	F93	M12-F93 HydrophobicContact CG-CE1 4.44Å
13	V	41.1	Very low	36.4	Very low	75 Å²	75	134.3 Å²	134.3	46%	0.455	71%	0.706	S	S	.	*			trans	-133.7	141.6	172.8	-177.8	0	0	0	0	108
14	R	37.8	Very low	36.9	Very low	198 Å²	198	135.4 Å²	135.4	75%	0.747	71%	0.711	S	S	*	*			trans	-106.4	134.4	169.8	-76.6	-178.2	172.4	167.1	-2.6	109.4
15	T	34.7	Very low	36.4	Very low	103 Å²	103	135.1 Å²	135.1	63%	0.632	71%	0.712	S	S	*	*			trans	-88.7	108.4	170.8	53.2	0	0	0	0	110.5
16	S	33.9	Very low	35.7	Very low	110 Å²	110	132.1 Å²	132.1	77%	0.769	71%	0.708	S	S	*	*			trans	-116.5	118.8	171.1	-64.2	0	0	0	0	109.7
17	Q	30.3	Very low	35.5	Very low	163 Å²	163	128 Å²	128	76%	0.762	70%	0.701	S	S	*	*			trans	-161.1	115.7	168.7	-147	177	20	0	0	112.9	Q75	Q17-Q75 PolarHBondContact O-NE2 3Å
18	V	29.3	Very low	35.2	Very low	122 Å²	122	128.8 Å²	128.8	74%	0.739	70%	0.697	S	S	*	*			trans	-154.4	100.1	149.8	179	0	0	0	0	101.6
19	V	35.1	Very low	34.6	Very low	117 Å²	117	132.6 Å²	132.6	71%	0.709	70%	0.696	S	S	*	*				68.3	117.9	79.2	174.5	0	0	0	0	112.5
20	E	30.9	Very low	34.3	Very low	198 Å²	198	131.9 Å²	131.9	93%	0.925	70%	0.701	S	S	*	*			trans	-143.9	174	139.1	-150.6	156.8	-146.1	0	0	108.5
21	Q	30.1	Very low	33.6	Very low	177 Å²	177	136.1 Å²	136.1	83%	0.827	71%	0.71	S	S	*	*			trans	-136.7	143.4	-146.2	174.4	-178.4	0	0	0	112.4
22	D	26	Very low	32.7	Very low	149 Å²	149	140.7 Å²	140.7	80%	0.797	73%	0.729	S	S	*	*			trans	-144.1	165.1	162.2	-141.1	-47.1	0	0	0	111.6
23	V	34.4	Very low	31.7	Very low	115 Å²	115	144 Å²	144	70%	0.697	74%	0.74	S	S	*	*			trans	-77.9	145	-155.7	174.5	0	0	0	0	113.9
24	P	40.5	Very low	31	Very low	124 Å²	124	143.5 Å²	143.5	81%	0.805	75%	0.751	S	S	*	*				-141.5	167.2	115.4	38.1	-24.7	0	0	0	115.5
25	E	29.9	Very low	30.5	Very low	172 Å²	172	142.1 Å²	142.1	80%	0.804	76%	0.756	S	S	*	*			trans	-90.5	163.9	-177.5	-59.7	169.6	92.4	0	0	114.9
26	E	31	Very low	30	Very low	169 Å²	169	142.7 Å²	142.7	79%	0.79	77%	0.765	S	S	*	*			trans	70.2	167.1	140.1	-86.1	-64.1	159.5	0	0	123.6
27	V	31	Very low	29.6	Very low	125 Å²	125	143.7 Å²	143.7	76%	0.758	77%	0.767	S	S	*	*			trans	85.5	81	168.3	-163	0	0	0	0	119.1
28	D	25.8	Very low	29.7	Very low	123 Å²	123	141.8 Å²	141.8	66%	0.658	77%	0.768	S	S	*	*				47.2	151.4	118.2	-157.9	21.5	0	0	0	123.4
29	R	28	Very low	29.6	Very low	211 Å²	211	143.1 Å²	143.1	80%	0.796	77%	0.766	S	S	*	*			trans	88.4	78.7	159.1	-52.7	-152.8	171.1	175.3	-4.5	122.7
30	A	30.8	Very low	29.8	Very low	91 Å²	91	142.7 Å²	142.7	75%	0.752	77%	0.766	S	S	*	*				52.5	155.7	97.9	0	0	0	0	0	123.4
31	K	28.6	Very low	29.5	Very low	184 Å²	184	139.6 Å²	139.6	80%	0.8	76%	0.756	S	S	*	*			trans	76.2	148.3	163.7	-79.4	-156.1	173.6	-135.2	0	118.6
32	E	27.9	Very low	29.4	Very low	110 Å²	110	137.4 Å²	137.4	51%	0.514	75%	0.754	S	S	.	*			cis	-167.7	148.4	-25.2	-146.7	-167.5	131.7	0	0	109.8
33	K	28.9	Very low	29.6	Very low	187 Å²	187	134.5 Å²	134.5	81%	0.813	75%	0.751	S	S	*	*			trans	59.2	150.3	162.8	-75.5	165.9	173.4	136	0	118.8
34	G	27	Very low	29.3	Very low	65 Å²	65	137.1 Å²	137.1	67%	0.67	75%	0.753	S	S	*	*			cis	159.5	147.7	-13.3	0	0	0	0	0	115.3
35	I	25.3	Very low	28.5	Very low	169 Å²	169	137.5 Å²	137.5	87%	0.867	75%	0.748	S	S	*	*			trans	64	116.7	151.6	-111.1	165.7	0	0	0	119.1
36	S	24.3	Very low	28.1	Very low	116 Å²	116	133.7 Å²	133.7	81%	0.811	74%	0.74	S	S	*	*				178.9	134.2	106.7	37.4	0	0	0	0	112.5
37	T	26.9	Very low	27.7	Very low	131 Å²	131	138.1 Å²	138.1	80%	0.804	75%	0.75	S	S	*	*			trans	-98.2	161.6	162.2	-15.8	0	0	0	0	107.9
38	P	31.5	Very low	27.4	Very low	122 Å²	122	136.6 Å²	136.6	79%	0.792	75%	0.751	S	S	*	*				-146.9	161.7	77.7	37.3	-18.6	0	0	0	116.8
39	Q	27.4	Very low	27.5	Very low	150 Å²	150	134.8 Å²	134.8	70%	0.701	75%	0.752	S	S	*	*			trans	-93.8	151.1	156.6	-120.7	-73.9	-73.2	0	0	108.3
40	P	38.8	Very low	27.4	Very low	108 Å²	108	132.8 Å²	132.8	70%	0.701	75%	0.752	S	S	*	*				-148.5	-171.6	100.6	29.6	-8.2	0	0	0	113.2
41	D	25.3	Very low	27.1	Very low	134 Å²	134	134.6 Å²	134.6	72%	0.717	75%	0.748	S	S	*	*			cis	178.8	178.5	-40.7	-169.5	3	0	0	0	106.3
42	V	29.1	Very low	27	Very low	131 Å²	131	133 Å²	133	79%	0.794	74%	0.744	S	S	*	*			trans	71.8	133.7	169.5	-171.9	0	0	0	0	113.6
43	A	29.7	Very low	26.7	Very low	88 Å²	88	133.4 Å²	133.4	73%	0.727	75%	0.75	S	S	*	*			cis	-158	-168.2	6.9	0	0	0	0	0	107
44	K	27.1	Very low	26.6	Very low	170 Å²	170	129.1 Å²	129.1	74%	0.739	74%	0.743	S	S	*	*			cis	172.8	158	-36.9	-149.7	177.3	178.7	-71.1	0	102.9
45	D	23.5	Very low	26.6	Very low	131 Å²	131	130.4 Å²	130.4	70%	0.701	74%	0.742	S	S	*	*			cis	-150.6	-179.9	26.3	-134.8	-38.8	0	0	0	111.3
46	S	23.3	Very low	26.8	Very low	92 Å²	92	130.7 Å²	130.7	64%	0.643	74%	0.737	S	S	*	*			trans	-115.5	159.8	-177.3	-179.6	0	0	0	0	112.7
47	W	21.1	Very low	26.9	Very low	263 Å²	263	133.9 Å²	133.9	100%	0.996	74%	0.739	S	S	*	*			trans	-149.6	132.3	140.7	-92.6	-4.8	0	0	0	112
48	A	24.8	Very low	26.8	Very low	93 Å²	93	132.7 Å²	132.7	77%	0.769	73%	0.728	S	S	*	*			trans	-107.9	-177.6	160.2	0	0	0	0	0	107.2
49	A	27.7	Very low	26.7	Very low	84 Å²	84	134.3 Å²	134.3	69%	0.694	73%	0.725	S	S	*	*			cis	-135.4	-149.5	4.7	0	0	0	0	0	108.6
50	E	25.8	Very low	26.7	Very low	169 Å²	169	132.2 Å²	132.2	79%	0.79	72%	0.722	S	S	*	*			cis	-167.5	175.8	18.2	-137	168	-137.2	0	0	106
51	L	26	Very low	26.1	Very low	129 Å²	129	134.8 Å²	134.8	68%	0.675	73%	0.728	S	S	*	*			cis	-160.2	134.2	11.2	179.3	67.6	0	0	0	109.1
52	E	24.9	Very low	26.2	Very low	150 Å²	150	136.8 Å²	136.8	70%	0.701	73%	0.733	S	S	*	*			trans	55.2	158.9	154.7	-63.6	-74.1	90.2	0	0	122.6
53	N	23.4	Very low	26.1	Very low	120 Å²	120	137.4 Å²	137.4	64%	0.642	74%	0.737	S	S	*	*			cis	-175.6	175.2	-33.5	-162.1	0.5	0	0	0	110.7
54	S	25.1	Very low	25.9	Very low	96 Å²	96	142.5 Å²	142.5	67%	0.671	74%	0.742	S	S	*	*			trans	81.8	135.4	141.1	-160.9	0	0	0	0	118.1
55	S	28.1	Very low	25.7	Very low	92 Å²	92	139.4 Å²	139.4	64%	0.643	74%	0.743	S	S	*	*			cis	-156.4	153.7	-18.7	-87.4	0	0	0	0	107.1
56	K	29.8	Very low	25.7	Very low	176 Å²	176	140 Å²	140	77%	0.765	75%	0.751	S	S	*	*			cis	69.4	109.6	45.2	-90.7	-167.6	175.1	-175.2	0	115.9
57	E	26.7	Very low	25.8	Very low	182 Å²	182	139.1 Å²	139.1	85%	0.85	76%	0.756	S	S	*	*				-162.3	143.4	121.4	46	-166.9	-169.1	0	0	108.5
58	N	23.7	Very low	26.4	Very low	107 Å²	107	135.9 Å²	135.9	57%	0.572	75%	0.752	S	S	*	*			cis	74.9	147.9	35.5	-62.7	61.5	0	0	0	111.8
59	E	28.7	Very low	26.4	Very low	156 Å²	156	137.1 Å²	137.1	73%	0.729	76%	0.756	S	S	*	*			cis	-165.5	172.4	-13.8	-116.5	-175.9	112.2	0	0	107.8
60	V	27.7	Very low	26.4	Very low	105 Å²	105	141.7 Å²	141.7	64%	0.636	76%	0.762	S	S	*	*			cis	-160.8	174.9	-7	62	0	0	0	0	106.8
61	I	26.2	Very low	26.6	Very low	163 Å²	163	139.6 Å²	139.6	84%	0.836	77%	0.767	S	S	*	*			trans	-178.6	140	136.9	-91.8	152.6	0	0	0	110.3
62	E	27.8	Very low	26.9	Very low	176 Å²	176	143 Å²	143	82%	0.822	78%	0.776	S	S	*	*			trans	-89.5	161.7	176.3	-61	-179.7	88.8	0	0	113.9
63	V	26.7	Very low	27.2	Very low	144 Å²	144	145 Å²	145	87%	0.873	78%	0.783	S	S	*	*				-172.5	148.9	122.8	140.1	0	0	0	0	112.4
64	K	26.8	Very low	27.7	Very low	194 Å²	194	146.6 Å²	146.6	84%	0.843	79%	0.79	S	S	*	*			trans	-49.6	147.2	179.9	-66.1	171	172.6	173	0	116
65	S	22.5	Very low	28.4	Very low	106 Å²	106	148 Å²	148	74%	0.741	79%	0.786	S	S	*	*				157.9	137.7	100.1	-162.6	0	0	0	0	114.8
66	T	23.5	Very low	29.3	Very low	142 Å²	142	145.6 Å²	145.6	87%	0.871	78%	0.775	S	S	*	*			trans	27.1	123.1	153.3	-50.9	0	0	0	0	121.8
67	G	24.4	Very low	30.2	Very low	74 Å²	74	138.8 Å²	138.8	76%	0.763	76%	0.755	S	S	*	*			trans	171.8	115	156.6	0	0	0	0	0	114.9
68	E	33.4	Very low	31.9	Very low	195 Å²	195	132.7 Å²	132.7	91%	0.911	73%	0.725	S	S	*	*			trans	-80.4	143.8	169.4	-72.5	-179.7	74.8	0	0	111.9
69	S	25.6	Very low	34	Very low	120 Å²	120	132.2 Å²	132.2	84%	0.839	72%	0.719	S	S	*	*			trans	-160	81.3	162.3	-86.4	0	0	0	0	113.9
70	Q	28	Very low	36.1	Very low	179 Å²	179	125.4 Å²	125.4	84%	0.836	69%	0.689	S	S	*	*			trans	25.1	111.1	141.3	-58.9	179.5	-1.8	0	0	119.1	K72	Q70-K72 PolarHBondContact O-N 3.01Å
71	S	29.9	Very low	37.4	Very low	125 Å²	125	125.9 Å²	125.9	87%	0.874	68%	0.682	S	S	*	*			trans	-61.7	112.6	162.8	-51.1	0	0	0	0	111.3	K73	S71-K73 PolarHBondContact O-N 3.29Å
72	K	32.3	Very low	38.9	Very low	201 Å²	201	123.2 Å²	123.2	87%	0.874	66%	0.662	S	S	*	*			trans	-69.1	104.8	-179.5	-75.1	-176.9	177.7	176.4	0	111.9	Q70 L74	Q70-K72 PolarHBondContact O-N 3.01Å; K72-L74 PolarHBondContact O-N 3.12Å
73	K	30.6	Very low	40.8	Very low	193 Å²	193	116.9 Å²	116.9	84%	0.839	64%	0.637	S	S	*	*			trans	-65.8	110.4	-178.7	-170.7	177	-174.4	177.1	0	111.5	S71 Q75	S71-K73 PolarHBondContact O-N 3.29Å; K73-Q75 PolarHBondContact O-N 3.19Å
74	L	34.5	Very low	43	Very low	152 Å²	152	116.8 Å²	116.8	80%	0.796	64%	0.639	S	S	*	*			trans	-66	124.6	171.8	-68.2	173.4	0	0	0	109.8	K72	K72-L74 PolarHBondContact O-N 3.12Å
75	Q	39.2	Very low	45	Very low	127 Å²	127	111.5 Å²	111.5	59%	0.593	61%	0.614	S	S	*	*			trans	-113.7	131.6	-165.7	-169	168.3	32.5	0	0	112.6	Q17 K73	Q17-Q75 PolarHBondContact O-NE2 3Å; K73-Q75 PolarHBondContact O-N 3.19Å
76	G	46.5	Very low	47.4	Very low	40 Å²	40	110.5 Å²	110.5	41%	0.412	61%	0.608	S	S	.	*			trans	108	126.6	173.7	0	0	0	0	0	113.3	Q88	G76-Q88 WeakPolarHBondContact O-CG 3.32Å; G76-Q88 PolarHBondContact O-NE2 3.04Å
77	G	48.7	Very low	49.9	Very low	33 Å²	33	104.6 Å²	104.6	34%	0.34	57%	0.571	S	S	.	*			trans	-156.7	170.5	172.3	0	0	0	0	0	110.2
78	Y	62.4	Low	52.1	Low	55 Å²	55	106.4 Å²	106.4	22%	0.216	56%	0.56	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.9	124	-172.3	-58	-88.1	0	0	0	110.1	S86 T87 L90	Y78-S86 CarbonylContact O-C 3.28Å; Y78-S86 WeakPolarHBondContact O-CA 3.36Å; Y78-S86 WeakPolarHBondContact O-CB 3.48Å; Y78-T87 PolarHBondContact N-O 3.44Å; Y78-T87 PolarHBondContact O-N 3.41Å; Y78-L90 HydrophobicContact CD1-CD1 3.94Å; Y78-L90 HydrophobicContact CD2-CB 4.2Å; Y78-L90 HydrophobicContact CE1-CB 4.46Å; Y78-L90 HydrophobicContact CE1-CD1 3.82Å; Y78-L90 HydrophobicContact CE2-CB 3.75Å; Y78-L90 HydrophobicContact CG-CD1 4.34Å
79	E	68.6	Low	53.5	Low	97 Å²	97	101.2 Å²	101.2	45%	0.453	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142	179.3	56.1	164.2	-147.2	0	0	112	K81 F93	E79-K81 IonicContact OE1-NZ 2.84Å; E79-F93 VanDerWaalsContact C-CE2 3.48Å; E79-F93 VanDerWaalsContact O-CE2 3.31Å; E79-F93 WeakPolarHBondContact O-CE2 3.43Å; E79-F93 WeakPolarHBondContact O-CZ 3.27Å
80	C	72.5	Confident	55.5	Low	13 Å²	13	98.5 Å²	98.5	9%	0.088	51%	0.514	C	S	.	.			trans	-87	131.2	174.7	-168.7	0	0	0	0	110.8	Y82 Y85 F93 H96 H101	C80-Y82 VanDerWaalsContact C-N 3.28Å; C80-Y82 PolarHBondContact O-N 3.44Å; C80-Y85 WeakPolarHBondContact CB-O 3.46Å; C80-Y85 PolarHBondContact N-O 3.43Å; C80-F93 HydrophobicContact CB-CE2 4Å; C80-H96 PolarHBondContact SG-NE2 3.24Å; C80-H101 VanDerWaalsContact SG-CD2 3.52Å; C80-H101 PolarHBondContact SG-NE2 3.11Å
81	K	54.4	Low	57.4	Low	115 Å²	115	95.3 Å²	95.3	50%	0.5	50%	0.503	S	S	.	.	S	Bend	trans	-82.5	-3.3	178.3	-66.6	-111.9	169.6	-160.7	0	113.8	C11 E79	C11-K81 HydrophobicContact CB-CB 4.09Å; C11-K81 HydrophobicContact CB-CG 4.15Å; E79-K81 IonicContact OE1-NZ 2.84Å
82	Y	58.7	Low	59.3	Low	107 Å²	107	93 Å²	93	42%	0.42	48%	0.478	S	S	.	.	S	Bend	trans	-117.8	-10.8	-173.4	-55.3	-64.8	0	0	0	113.9	C11 C80 V104	C11-Y82 HydrophobicContact CB-CE2 3.82Å; C80-Y82 VanDerWaalsContact C-N 3.28Å; C80-Y82 PolarHBondContact O-N 3.44Å; Y82-V104 HydrophobicContact CE2-CG1 4.4Å; Y82-V104 HydrophobicContact CE2-CG2 4.45Å
83	C	68.5	Low	61.3	Low	42 Å²	42	83.9 Å²	83.9	28%	0.284	44%	0.439	S	S	.	.	S	Bend	trans	-159.2	165.6	171.9	72.3	0	0	0	0	109.4	Y85 H96 H101	C83-Y85 PolarHBondContact O-N 3.24Å; C83-H96 PolarHBondContact SG-CE1 3.38Å; C83-H96 PolarHBondContact SG-NE2 3.28Å; C83-H101 PolarHBondContact SG-NE2 3.43Å
84	P	71.3	Confident	63.3	Low	143 Å²	143	77.4 Å²	77.4	93%	0.929	42%	0.415	S	S	*	.	S	Bend	trans	-77	26.7	-172.2	33.7	-37.7	0	0	0	114.7
85	Y	68.8	Low	65	Low	82 Å²	82	75.4 Å²	75.4	32%	0.322	40%	0.402	S	S	.	.			trans	-84	131.4	178.7	-176.8	-98.1	0	0	0	111.3	C80 C83 T87 H96	C80-Y85 WeakPolarHBondContact CB-O 3.46Å; C80-Y85 PolarHBondContact N-O 3.43Å; C83-Y85 PolarHBondContact O-N 3.24Å; Y85-T87 HydrophobicContact CE1-CG2 3.58Å; Y85-H96 WeakPolarHBondContact CB-CE1 3.18Å; Y85-H96 HydrophobicContact CD1-CB 3.81Å; Y85-H96 AromaticContact CD1-CD2 3.41Å; Y85-H96 VanDerWaalsContact CD1-CD2 3.41Å; Y85-H96 WeakPolarHBondContact CD1-CD2 3.43Å; Y85-H96 AromaticContact CD1-CE1 3.76Å; Y85-H96 AromaticContact CD1-CG 3.22Å; Y85-H96 AromaticContact CD1-ND1 3.45Å; Y85-H96 WeakPolarHBondContact CD1-ND1 3.17Å; Y85-H96 AromaticContact CD1-NE2 3.75Å; Y85-H96 AromaticContact CD2-ND1 3.93Å; Y85-H96 HydrophobicContact CE1-CB 3.46Å; Y85-H96 VanDerWaalsContact CE1-CB 3.46Å; Y85-H96 AromaticContact CE1-CG 3.46Å; Y85-H96 VanDerWaalsContact CE1-CG 3.46Å; Y85-H96 AromaticContact CE1-ND1 3.88Å; Y85-H96 AromaticContact CG-CE1 3.56Å; Y85-H96 AromaticContact CG-CG 3.77Å; Y85-H96 AromaticContact CG-ND1 3.46Å; Y85-H96 AromaticContact CG-NE2 3.9Å
86	S	74.6	Confident	66.9	Low	86 Å²	86	70.4 Å²	70.4	60%	0.601	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	146.2	168.6	62.1	0	0	0	0	110.6	Y78	Y78-S86 CarbonylContact O-C 3.28Å; Y78-S86 WeakPolarHBondContact O-CA 3.36Å; Y78-S86 WeakPolarHBondContact O-CB 3.48Å
87	T	76.1	Confident	68.1	Low	17 Å²	17	69.1 Å²	69.1	10%	0.104	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	150.7	179.2	171.7	0	0	0	0	110.2	Y78 Y85 N89 E92 F93	Y78-T87 PolarHBondContact N-O 3.44Å; Y78-T87 PolarHBondContact O-N 3.41Å; Y85-T87 HydrophobicContact CE1-CG2 3.58Å; T87-N89 VanDerWaalsContact C-N 3.26Å; T87-N89 WeakPolarHBondContact CG2-O 3.4Å; T87-N89 PolarHBondContact OG1-N 3.25Å; T87-N89 VanDerWaalsContact OG1-N 3.08Å; T87-E92 HydrophobicContact CG2-CB 3.85Å; T87-E92 PolarHBondContact OG1-OE2 3.34Å; T87-F93 HydrophobicContact CG2-CB 3.76Å
88	Q	70.1	Confident	68.7	Low	112 Å²	112	72.5 Å²	72.5	52%	0.523	37%	0.373	S	S	.	.	S	Bend	trans	-74.1	-19.8	173.9	-137.4	167.9	3.8	0	0	112.6	G76	G76-Q88 WeakPolarHBondContact O-CG 3.32Å; G76-Q88 PolarHBondContact O-NE2 3.04Å
89	N	61.8	Low	69.1	Low	87 Å²	87	75.8 Å²	75.8	47%	0.465	39%	0.392	S	S	.	.			trans	-99.7	116	-173.6	-69.8	-40	0	0	0	112.1	T87 N91 E92 F93	T87-N89 VanDerWaalsContact C-N 3.26Å; T87-N89 WeakPolarHBondContact CG2-O 3.4Å; T87-N89 PolarHBondContact OG1-N 3.25Å; T87-N89 VanDerWaalsContact OG1-N 3.08Å; N89-N91 PolarHBondContact O-N 3.23Å; N89-N91 VanDerWaalsContact O-N 3.15Å; N89-E92 HydrophobicContact CB-CB 4.17Å; N89-E92 HydrophobicContact CB-CG 3.99Å; N89-E92 WeakPolarHBondContact CB-OE1 3.28Å; N89-E92 PolarHBondContact ND2-OE1 3.24Å; N89-E92 PolarHBondContact O-N 3.16Å; N89-F93 PolarHBondContact O-N 2.96Å
90	L	69.1	Low	68.7	Low	63 Å²	63	76.7 Å²	76.7	33%	0.33	40%	0.396	S	S	.	.	H	α-helix	trans	-58.1	-29.9	178.2	-179	58	0	0	0	113.3	Y78 F93 T94	Y78-L90 HydrophobicContact CD1-CD1 3.94Å; Y78-L90 HydrophobicContact CD2-CB 4.2Å; Y78-L90 HydrophobicContact CE1-CB 4.46Å; Y78-L90 HydrophobicContact CE1-CD1 3.82Å; Y78-L90 HydrophobicContact CE2-CB 3.75Å; Y78-L90 HydrophobicContact CG-CD1 4.34Å; L90-F93 HydrophobicContact CD1-CD1 4.23Å; L90-F93 PolarHBondContact O-N 3.45Å; L90-T94 WeakPolarHBondContact O-CB 3.44Å; L90-T94 PolarHBondContact O-N 3.42Å; L90-T94 PolarHBondContact O-OG1 3.21Å
91	N	66.9	Low	68.3	Low	111 Å²	111	77.6 Å²	77.6	59%	0.594	40%	0.399	S	S	*	.	H	α-helix	trans	-67.7	-48.5	176.9	-172	91.3	0	0	0	111.7	N89 F93 T94 E95	N89-N91 PolarHBondContact O-N 3.23Å; N89-N91 VanDerWaalsContact O-N 3.15Å; N91-F93 VanDerWaalsContact C-N 3.28Å; N91-F93 PolarHBondContact O-N 2.81Å; N91-T94 PolarHBondContact O-N 3.11Å; N91-T94 VanDerWaalsContact O-N 3.15Å; N91-E95 PolarHBondContact O-N 2.97Å
92	E	70.6	Confident	68.4	Low	77 Å²	77	75.7 Å²	75.7	36%	0.36	40%	0.398	S	S	.	.	H	α-helix	trans	-60.2	-39.3	174	-69.8	167.9	-146.4	0	0	111.2	T87 N89 T94 H96	T87-E92 HydrophobicContact CG2-CB 3.85Å; T87-E92 PolarHBondContact OG1-OE2 3.34Å; N89-E92 HydrophobicContact CB-CB 4.17Å; N89-E92 HydrophobicContact CB-CG 3.99Å; N89-E92 WeakPolarHBondContact CB-OE1 3.28Å; N89-E92 PolarHBondContact ND2-OE1 3.24Å; N89-E92 PolarHBondContact O-N 3.16Å; E92-T94 VanDerWaalsContact C-N 3.33Å; E92-T94 PolarHBondContact O-N 3.02Å; E92-H96 WeakPolarHBondContact O-CB 3.31Å; E92-H96 PolarHBondContact O-N 3.49Å
93	F	73.9	Confident	67.8	Low	10 Å²	10	78.3 Å²	78.3	4%	0.044	42%	0.419	C	S	.	.	H	α-helix	trans	-62.1	-40.5	174.9	-177.6	-105.1	0	0	0	112.4	M12 E79 C80 T87 N89 L90 N91 V97	M12-F93 HydrophobicContact CG-CE1 4.44Å; E79-F93 VanDerWaalsContact C-CE2 3.48Å; E79-F93 VanDerWaalsContact O-CE2 3.31Å; E79-F93 WeakPolarHBondContact O-CE2 3.43Å; E79-F93 WeakPolarHBondContact O-CZ 3.27Å; C80-F93 HydrophobicContact CB-CE2 4Å; T87-F93 HydrophobicContact CG2-CB 3.76Å; N89-F93 PolarHBondContact O-N 2.96Å; L90-F93 HydrophobicContact CD1-CD1 4.23Å; L90-F93 PolarHBondContact O-N 3.45Å; N91-F93 VanDerWaalsContact C-N 3.28Å; N91-F93 PolarHBondContact O-N 2.81Å; F93-V97 HydrophobicContact CE1-CG2 4.12Å; F93-V97 HydrophobicContact CE2-CG2 4.23Å; F93-V97 HydrophobicContact CZ-CG2 3.95Å; F93-V97 WeakPolarHBondContact O-CG2 3.38Å; F93-V97 PolarHBondContact O-N 3.14Å
94	T	71.7	Confident	67.4	Low	57 Å²	57	79 Å²	79	35%	0.35	42%	0.422	S	S	.	.	H	α-helix	trans	-69.6	-47.3	179.1	-53.6	0	0	0	0	110.8	L90 N91 E92 H96 V97 D98	L90-T94 WeakPolarHBondContact O-CB 3.44Å; L90-T94 PolarHBondContact O-N 3.42Å; L90-T94 PolarHBondContact O-OG1 3.21Å; N91-T94 PolarHBondContact O-N 3.11Å; N91-T94 VanDerWaalsContact O-N 3.15Å; E92-T94 VanDerWaalsContact C-N 3.33Å; E92-T94 PolarHBondContact O-N 3.02Å; T94-H96 VanDerWaalsContact C-N 3.33Å; T94-H96 PolarHBondContact O-N 2.93Å; T94-V97 PolarHBondContact O-N 3.18Å; T94-D98 WeakPolarHBondContact O-CB 3.38Å; T94-D98 PolarHBondContact O-N 3.26Å
95	E	71.6	Confident	66.1	Low	110 Å²	110	78.8 Å²	78.8	51%	0.514	41%	0.412	S	S	.	.	H	α-helix	trans	-60.5	-41.1	175.4	-178.3	165.1	-148.6	0	0	111.8	N91 D98 M99	N91-E95 PolarHBondContact O-N 2.97Å; E95-D98 PolarHBondContact O-N 3.26Å; E95-M99 HydrophobicContact CG-CG 4.5Å; E95-M99 HydrophobicContact CG-SD 3.87Å; E95-M99 VanDerWaalsContact O-CB 3.31Å; E95-M99 WeakPolarHBondContact O-CB 3.44Å; E95-M99 VanDerWaalsContact O-CG 3.27Å; E95-M99 WeakPolarHBondContact O-CG 3.31Å; E95-M99 PolarHBondContact O-N 3.01Å
96	H	78.5	Confident	65.4	Low	21 Å²	21	78.6 Å²	78.6	10%	0.097	42%	0.416	C	S	.	.	H	α-helix	trans	-58.4	-49	172.1	166.2	78.4	0	0	0	112.5	C80 C83 Y85 E92 T94 M99 Q100 H101	C80-H96 PolarHBondContact SG-NE2 3.24Å; C83-H96 PolarHBondContact SG-CE1 3.38Å; C83-H96 PolarHBondContact SG-NE2 3.28Å; Y85-H96 WeakPolarHBondContact CB-CE1 3.18Å; Y85-H96 HydrophobicContact CD1-CB 3.81Å; Y85-H96 AromaticContact CD1-CD2 3.41Å; Y85-H96 VanDerWaalsContact CD1-CD2 3.41Å; Y85-H96 WeakPolarHBondContact CD1-CD2 3.43Å; Y85-H96 AromaticContact CD1-CE1 3.76Å; Y85-H96 AromaticContact CD1-CG 3.22Å; Y85-H96 AromaticContact CD1-ND1 3.45Å; Y85-H96 WeakPolarHBondContact CD1-ND1 3.17Å; Y85-H96 AromaticContact CD1-NE2 3.75Å; Y85-H96 AromaticContact CD2-ND1 3.93Å; Y85-H96 HydrophobicContact CE1-CB 3.46Å; Y85-H96 VanDerWaalsContact CE1-CB 3.46Å; Y85-H96 AromaticContact CE1-CG 3.46Å; Y85-H96 VanDerWaalsContact CE1-CG 3.46Å; Y85-H96 AromaticContact CE1-ND1 3.88Å; Y85-H96 AromaticContact CG-CE1 3.56Å; Y85-H96 AromaticContact CG-CG 3.77Å; Y85-H96 AromaticContact CG-ND1 3.46Å; Y85-H96 AromaticContact CG-NE2 3.9Å; E92-H96 WeakPolarHBondContact O-CB 3.31Å; E92-H96 PolarHBondContact O-N 3.49Å; T94-H96 VanDerWaalsContact C-N 3.33Å; T94-H96 PolarHBondContact O-N 2.93Å; H96-M99 PolarHBondContact O-N 2.72Å; H96-Q100 VanDerWaalsContact O-CB 3.27Å; H96-Q100 WeakPolarHBondContact O-CB 3.29Å; H96-Q100 WeakPolarHBondContact O-CG 3.26Å; H96-Q100 PolarHBondContact O-N 2.92Å; H96-H101 AromaticContact NE2-NE2 3.64Å
97	V	72	Confident	64.1	Low	14 Å²	14	78.6 Å²	78.6	9%	0.085	41%	0.409	C	S	.	.	H	α-helix	trans	-65.2	-43	179.7	170	0	0	0	0	111.1	F93 T94 M99 H101	F93-V97 HydrophobicContact CE1-CG2 4.12Å; F93-V97 HydrophobicContact CE2-CG2 4.23Å; F93-V97 HydrophobicContact CZ-CG2 3.95Å; F93-V97 WeakPolarHBondContact O-CG2 3.38Å; F93-V97 PolarHBondContact O-N 3.14Å; T94-V97 PolarHBondContact O-N 3.18Å; V97-M99 PolarHBondContact O-N 2.73Å; V97-H101 CarbonylContact O-C 3.57Å; V97-H101 WeakPolarHBondContact O-CA 3.36Å; V97-H101 WeakPolarHBondContact O-CB 3.46Å; V97-H101 PolarHBondContact O-N 3.44Å
98	D	61.8	Low	63.2	Low	103 Å²	103	79.2 Å²	79.2	55%	0.551	41%	0.414	S	S	*	.	H	α-helix	trans	-64.7	-36.9	178.6	-77.3	-9.7	0	0	0	112.3	T94 E95	T94-D98 WeakPolarHBondContact O-CB 3.38Å; T94-D98 PolarHBondContact O-N 3.26Å; E95-D98 PolarHBondContact O-N 3.26Å
99	M	70.8	Confident	62.4	Low	125 Å²	125	75.6 Å²	75.6	62%	0.616	40%	0.398	S	S	*	.	H	α-helix	trans	-80	-45.2	178.5	-72.4	179.1	64.2	0	0	113.7	E95 H96 V97	E95-M99 HydrophobicContact CG-CG 4.5Å; E95-M99 HydrophobicContact CG-SD 3.87Å; E95-M99 VanDerWaalsContact O-CB 3.31Å; E95-M99 WeakPolarHBondContact O-CB 3.44Å; E95-M99 VanDerWaalsContact O-CG 3.27Å; E95-M99 WeakPolarHBondContact O-CG 3.31Å; E95-M99 PolarHBondContact O-N 3.01Å; H96-M99 PolarHBondContact O-N 2.72Å; V97-M99 PolarHBondContact O-N 2.73Å
100	Q	58.5	Low	62.6	Low	116 Å²	116	73.1 Å²	73.1	54%	0.542	38%	0.382	S	S	.	.	H	α-helix	trans	-96.2	-20	-169.2	-56.3	-59.2	-26.1	0	0	113.3	H96	H96-Q100 VanDerWaalsContact O-CB 3.27Å; H96-Q100 WeakPolarHBondContact O-CB 3.29Å; H96-Q100 WeakPolarHBondContact O-CG 3.26Å; H96-Q100 PolarHBondContact O-N 2.92Å
101	H	64.4	Low	62.6	Low	31 Å²	31	71 Å²	71	14%	0.144	37%	0.371	C	S	.	.			trans	-125.9	45.4	-179.8	-54.8	-43.3	0	0	0	113.6	C80 C83 H96 V97 N103 V104	C80-H101 VanDerWaalsContact SG-CD2 3.52Å; C80-H101 PolarHBondContact SG-NE2 3.11Å; C83-H101 PolarHBondContact SG-NE2 3.43Å; H96-H101 AromaticContact NE2-NE2 3.64Å; V97-H101 CarbonylContact O-C 3.57Å; V97-H101 WeakPolarHBondContact O-CA 3.36Å; V97-H101 WeakPolarHBondContact O-CB 3.46Å; V97-H101 PolarHBondContact O-N 3.44Å; H101-N103 PolarHBondContact O-N 2.81Å; H101-V104 HydrophobicContact CB-CG2 4.37Å; H101-V104 PolarHBondContact O-N 2.9Å
102	P	57.5	Low	63	Low	76 Å²	76	65.7 Å²	65.7	49%	0.494	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.1	-172.5	28.2	-37.6	0	0	0	114.7	V104 I105	P102-V104 VanDerWaalsContact C-N 3.32Å; P102-I105 WeakPolarHBondContact O-CG1 3.49Å
103	N	46.4	Very low	62.6	Low	161 Å²	161	63.2 Å²	63.2	86%	0.861	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-12.5	172.9	-69.3	-42.1	0	0	0	113.2	H101 I105	H101-N103 PolarHBondContact O-N 2.81Å; N103-I105 VanDerWaalsContact C-N 3.33Å; N103-I105 PolarHBondContact O-N 2.97Å
104	V	58.3	Low	62	Low	57 Å²	57	67 Å²	67	35%	0.345	35%	0.354	S	S	.	.	S	Bend	trans	-96.4	61.1	173.6	-169.4	0	0	0	0	108.6	Y82 H101 P102 L106	Y82-V104 HydrophobicContact CE2-CG1 4.4Å; Y82-V104 HydrophobicContact CE2-CG2 4.45Å; H101-V104 HydrophobicContact CB-CG2 4.37Å; H101-V104 PolarHBondContact O-N 2.9Å; P102-V104 VanDerWaalsContact C-N 3.32Å; V104-L106 PolarHBondContact O-N 2.85Å
105	I	44.8	Very low	61.9	Low	138 Å²	138	67 Å²	67	71%	0.708	36%	0.355	S	S	*	.			trans	-62.9	96.4	-171.7	-55.6	174.9	0	0	0	111.1	P102 N103	P102-I105 WeakPolarHBondContact O-CG1 3.49Å; N103-I105 VanDerWaalsContact C-N 3.33Å; N103-I105 PolarHBondContact O-N 2.97Å
106	L	54.6	Low	61.4	Low	78 Å²	78	67.6 Å²	67.6	41%	0.408	36%	0.362	S	S	.	.			trans	-96.7	106.5	161.1	-67.2	177.5	0	0	0	107.5	V104 P108 T150	V104-L106 PolarHBondContact O-N 2.85Å; L106-P108 WeakPolarHBondContact O-CD 3.28Å; L106-T150 HydrophobicContact CD2-CG2 3.84Å
107	N	45.8	Very low	61	Low	87 Å²	87	70.5 Å²	70.5	47%	0.465	38%	0.375	S	S	.	.			trans	-107.4	74.3	168.2	-175.4	-3.5	0	0	0	107.9	L109 Q149	N107-L109 PolarHBondContact O-N 3.28Å; N107-Q149 PolarHBondContact O-NE2 3.03Å
108	P	57.6	Low	60.6	Low	30 Å²	30	73.8 Å²	73.8	20%	0.195	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-67	125.9	-170.1	27.6	-35.5	0	0	0	111.2	L106 Y110 T150 L152	L106-P108 WeakPolarHBondContact O-CD 3.28Å; P108-Y110 HydrophobicContact CB-CD2 4.36Å; P108-Y110 HydrophobicContact CB-CE2 3.8Å; P108-Y110 HydrophobicContact CG-CE2 3.63Å; P108-T150 WeakPolarHBondContact CA-O 3.46Å; P108-L152 HydrophobicContact CB-CD1 4.06Å
109	L	53.9	Low	61.1	Low	35 Å²	35	69.8 Å²	69.8	18%	0.183	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	122.4	155.8	-64.7	-177.7	0	0	0	107.8	N107 K120 Q149 V151 L152	N107-L109 PolarHBondContact O-N 3.28Å; L109-K120 HydrophobicContact CD2-CG 3.66Å; L109-Q149 HydrophobicContact CD1-CG 4.49Å; L109-Q149 HydrophobicContact CG-CG 4.44Å; L109-V151 HydrophobicContact CB-CG1 4.4Å; L109-V151 CarbonylContact O-C 3.58Å; L109-V151 WeakPolarHBondContact O-CA 3.4Å; L109-V151 WeakPolarHBondContact O-CG1 3.48Å; L109-L152 PolarHBondContact O-N 3.38Å
110	Y	65	Low	60.7	Low	36 Å²	36	71.1 Å²	71.1	14%	0.141	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.8	170.8	-59.3	-92.2	0	0	0	107.9	P108 T118 T119 Y122 L152	P108-Y110 HydrophobicContact CB-CD2 4.36Å; P108-Y110 HydrophobicContact CB-CE2 3.8Å; P108-Y110 HydrophobicContact CG-CE2 3.63Å; Y110-T118 WeakPolarHBondContact O-CA 3.45Å; Y110-T119 PolarHBondContact N-O 2.97Å; Y110-T119 PolarHBondContact O-N 2.91Å; Y110-Y122 AromaticContact CD1-CD2 3.87Å; Y110-Y122 HydrophobicContact CD1-CD2 3.87Å; Y110-Y122 AromaticContact CE1-CD2 3.89Å; Y110-Y122 HydrophobicContact CE1-CD2 3.89Å; Y110-Y122 HydrophobicContact CE1-CG 4.28Å; Y110-L152 WeakPolarHBondContact CA-O 3.42Å; Y110-L152 HydrophobicContact CD1-CB 3.94Å; Y110-L152 HydrophobicContact CD1-CD1 4Å; Y110-L152 HydrophobicContact CE1-CB 4.29Å; Y110-L152 HydrophobicContact CE1-CD1 3.45Å; Y110-L152 VanDerWaalsContact CE1-CD1 3.45Å
111	V	69.5	Low	60.9	Low	17 Å²	17	71.8 Å²	71.8	10%	0.103	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.4	-174.5	-179.1	0	0	0	0	110.2	F117 T118 V151 L152 Q154	V111-F117 WeakPolarHBondContact CA-O 3.42Å; V111-T118 HydrophobicContact CG1-CG2 4.16Å; V111-T118 HydrophobicContact CG2-CG2 3.82Å; V111-V151 HydrophobicContact CB-CG1 4.29Å; V111-V151 HydrophobicContact CG2-CG1 3.51Å; V111-L152 PolarHBondContact N-O 2.91Å; V111-Q154 PolarHBondContact O-N 3.01Å
112	C	74.8	Confident	61	Low	0 Å²	0	74.4 Å²	74.4	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	122.2	166	-171.9	0	0	0	0	109	E114 C115 N116 F117 L125	C112-E114 VanDerWaalsContact C-N 3.34Å; C112-C115 WeakPolarHBondContact CB-SG 3.34Å; C112-N116 WeakPolarHBondContact O-CA 3.44Å; C112-N116 PolarHBondContact O-N 2.88Å; C112-F117 HydrophobicContact CB-CB 4.33Å; C112-F117 PolarHBondContact N-O 3.43Å; C112-L125 HydrophobicContact CB-CD1 3.75Å
113	A	64.1	Low	61.7	Low	26 Å²	26	75.4 Å²	75.4	22%	0.215	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-40.4	177.6	0	0	0	0	0	111.9	C115 N116 E153 Q154	A113-C115 PolarHBondContact O-N 3.48Å; A113-N116 PolarHBondContact O-ND2 3.26Å; A113-E153 HydrophobicContact CB-CG 4.28Å; A113-Q154 VanDerWaalsContact CB-O 3.26Å; A113-Q154 WeakPolarHBondContact CB-O 3.36Å; A113-Q154 PolarHBondContact N-O 3.39Å
114	E	60.3	Low	63.1	Low	88 Å²	88	70.3 Å²	70.3	41%	0.411	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-35.2	-170	-46.7	-48.4	135.1	0	0	113.4	C112 H133 I156	C112-E114 VanDerWaalsContact C-N 3.34Å; E114-H133 WeakPolarHBondContact CB-CE1 3.35Å; E114-I156 HydrophobicContact CG-CD1 3.85Å; E114-I156 HydrophobicContact CG-CG1 4.28Å
115	C	68.8	Low	63.8	Low	57 Å²	57	67.6 Å²	67.6	39%	0.385	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-0.5	-174.9	74.4	0	0	0	0	114.3	C112 A113 F117 H128	C112-C115 WeakPolarHBondContact CB-SG 3.34Å; A113-C115 PolarHBondContact O-N 3.48Å; C115-F117 PolarHBondContact O-N 2.85Å; C115-F117 VanDerWaalsContact SG-CB 3.51Å; C115-F117 PolarHBondContact SG-N 3.46Å; C115-H128 VanDerWaalsContact SG-CE1 3.58Å; C115-H128 PolarHBondContact SG-NE2 3.48Å
116	N	62.8	Low	65.1	Low	124 Å²	124	63.6 Å²	63.6	66%	0.663	33%	0.333	S	S	*	.			trans	59.2	18.6	-177.5	-68.9	-105.3	0	0	0	115.2	C112 A113 T118	C112-N116 WeakPolarHBondContact O-CA 3.44Å; C112-N116 PolarHBondContact O-N 2.88Å; A113-N116 PolarHBondContact O-ND2 3.26Å; N116-T118 WeakPolarHBondContact O-CG2 3.47Å; N116-T118 PolarHBondContact O-N 2.79Å
117	F	70.1	Confident	66.2	Low	81 Å²	81	64.4 Å²	64.4	36%	0.355	34%	0.338	S	S	.	.			trans	-63.6	129.1	171.5	178.3	-106.8	0	0	0	110.8	V111 C112 C115 T119 S124 L125 H128	V111-F117 WeakPolarHBondContact CA-O 3.42Å; C112-F117 HydrophobicContact CB-CB 4.33Å; C112-F117 PolarHBondContact N-O 3.43Å; C115-F117 PolarHBondContact O-N 2.85Å; C115-F117 VanDerWaalsContact SG-CB 3.51Å; C115-F117 PolarHBondContact SG-N 3.46Å; F117-T119 HydrophobicContact CD1-CG2 4.45Å; F117-T119 HydrophobicContact CE1-CG2 3.87Å; F117-S124 WeakPolarHBondContact CE1-O 3.37Å; F117-L125 HydrophobicContact CD1-CD1 4.08Å; F117-H128 HydrophobicContact CD1-CB 3.88Å; F117-H128 AromaticContact CD1-CG 3.65Å; F117-H128 AromaticContact CD1-ND1 3.89Å; F117-H128 HydrophobicContact CE1-CB 3.91Å; F117-H128 AromaticContact CG-ND1 3.84Å
118	T	63.2	Low	67.8	Low	84 Å²	84	61.3 Å²	61.3	52%	0.515	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.1	-177.8	78.4	0	0	0	0	111.8	Y110 V111 N116	Y110-T118 WeakPolarHBondContact O-CA 3.45Å; V111-T118 HydrophobicContact CG1-CG2 4.16Å; V111-T118 HydrophobicContact CG2-CG2 3.82Å; N116-T118 WeakPolarHBondContact O-CG2 3.47Å; N116-T118 PolarHBondContact O-N 2.79Å
119	T	71.5	Confident	68.4	Low	19 Å²	19	60.2 Å²	60.2	12%	0.117	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	153.9	-179.6	170.2	0	0	0	0	112.2	Y110 F117 K121 L125	Y110-T119 PolarHBondContact N-O 2.97Å; Y110-T119 PolarHBondContact O-N 2.91Å; F117-T119 HydrophobicContact CD1-CG2 4.45Å; F117-T119 HydrophobicContact CE1-CG2 3.87Å; T119-K121 VanDerWaalsContact C-N 3.32Å; T119-K121 VanDerWaalsContact CG2-O 3.25Å; T119-K121 WeakPolarHBondContact CG2-O 3.49Å; T119-K121 PolarHBondContact OG1-N 2.81Å; T119-K121 VanDerWaalsContact OG1-N 3.07Å; T119-K121 PolarHBondContact OG1-O 3.47Å; T119-L125 HydrophobicContact CG2-CB 3.72Å
120	K	63	Low	69.3	Low	153 Å²	153	62.1 Å²	62.1	67%	0.665	33%	0.33	S	S	*	.	S	Bend	trans	-87.7	2.2	174.3	-64.1	176.6	-179.8	179.3	0	113.3	L109	L109-K120 HydrophobicContact CD2-CG 3.66Å
121	K	61.4	Low	69.6	Low	130 Å²	130	66.1 Å²	66.1	57%	0.565	35%	0.347	S	S	*	.			trans	-135.6	128.4	-178.8	-69.6	-165.3	168.1	-148.8	0	110.7	T119 D123 S124 L125	T119-K121 VanDerWaalsContact C-N 3.32Å; T119-K121 VanDerWaalsContact CG2-O 3.25Å; T119-K121 WeakPolarHBondContact CG2-O 3.49Å; T119-K121 PolarHBondContact OG1-N 2.81Å; T119-K121 VanDerWaalsContact OG1-N 3.07Å; T119-K121 PolarHBondContact OG1-O 3.47Å; K121-D123 VanDerWaalsContact C-N 3.31Å; K121-D123 PolarHBondContact O-N 3.46Å; K121-S124 PolarHBondContact O-N 3.34Å; K121-L125 PolarHBondContact O-N 3.48Å
122	Y	67.4	Low	69.2	Low	85 Å²	85	72 Å²	72	33%	0.333	37%	0.372	S	S	.	.	H	α-helix	trans	-57.9	-42.8	176.4	178.5	-104	0	0	0	111.9	Y110 S124 L125 S126 L141	Y110-Y122 AromaticContact CD1-CD2 3.87Å; Y110-Y122 HydrophobicContact CD1-CD2 3.87Å; Y110-Y122 AromaticContact CE1-CD2 3.89Å; Y110-Y122 HydrophobicContact CE1-CD2 3.89Å; Y110-Y122 HydrophobicContact CE1-CG 4.28Å; Y122-S124 VanDerWaalsContact C-N 3.25Å; Y122-S124 PolarHBondContact O-N 3.33Å; Y122-L125 CarbonylContact O-C 3.31Å; Y122-L125 WeakPolarHBondContact O-CA 3.4Å; Y122-L125 WeakPolarHBondContact O-CB 3.14Å; Y122-L125 PolarHBondContact O-N 3.06Å; Y122-S126 PolarHBondContact O-N 3.35Å; Y122-L141 HydrophobicContact CE2-CD2 4.34Å
123	D	71.6	Confident	68.8	Low	98 Å²	98	73.3 Å²	73.3	52%	0.524	38%	0.378	S	S	.	.	H	α-helix	trans	-51.9	-47.1	179.5	-42.9	-38	0	0	0	110.9	K121 L125 S126 D127	K121-D123 VanDerWaalsContact C-N 3.31Å; K121-D123 PolarHBondContact O-N 3.46Å; D123-L125 VanDerWaalsContact C-N 3.26Å; D123-L125 PolarHBondContact O-N 3.01Å; D123-S126 PolarHBondContact O-N 2.76Å; D123-D127 VanDerWaalsContact O-CB 3.25Å; D123-D127 WeakPolarHBondContact O-CB 3.46Å; D123-D127 PolarHBondContact O-N 3.39Å
124	S	76.4	Confident	68.2	Low	54 Å²	54	77.4 Å²	77.4	38%	0.378	40%	0.403	S	S	.	.	H	α-helix	trans	-70.3	-18.4	-179.6	-48.9	0	0	0	0	114	F117 K121 Y122 H128	F117-S124 WeakPolarHBondContact CE1-O 3.37Å; K121-S124 PolarHBondContact O-N 3.34Å; Y122-S124 VanDerWaalsContact C-N 3.25Å; Y122-S124 PolarHBondContact O-N 3.33Å; S124-H128 WeakPolarHBondContact O-CB 3.35Å; S124-H128 PolarHBondContact O-N 2.82Å
125	L	72.6	Confident	67.9	Low	0 Å²	0	76.7 Å²	76.7	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-81.2	-44.3	168.3	-176.5	60.5	0	0	0	110.2	C112 F117 T119 K121 Y122 D123 D127 H128 N129 Q154	C112-L125 HydrophobicContact CB-CD1 3.75Å; F117-L125 HydrophobicContact CD1-CD1 4.08Å; T119-L125 HydrophobicContact CG2-CB 3.72Å; K121-L125 PolarHBondContact O-N 3.48Å; Y122-L125 CarbonylContact O-C 3.31Å; Y122-L125 WeakPolarHBondContact O-CA 3.4Å; Y122-L125 WeakPolarHBondContact O-CB 3.14Å; Y122-L125 PolarHBondContact O-N 3.06Å; D123-L125 VanDerWaalsContact C-N 3.26Å; D123-L125 PolarHBondContact O-N 3.01Å; L125-D127 VanDerWaalsContact C-N 3.31Å; L125-D127 PolarHBondContact O-N 3.12Å; L125-H128 CarbonylContact O-C 3.59Å; L125-H128 WeakPolarHBondContact O-CA 3.26Å; L125-H128 WeakPolarHBondContact O-CB 3.44Å; L125-H128 PolarHBondContact O-N 2.86Å; L125-N129 WeakPolarHBondContact CD1-OD1 3.25Å; L125-N129 PolarHBondContact O-N 2.9Å; L125-N129 PolarHBondContact O-OD1 3.19Å; L125-Q154 HydrophobicContact CD2-CB 4.17Å
126	S	73.6	Confident	67.2	Low	53 Å²	53	76.5 Å²	76.5	37%	0.371	41%	0.412	S	S	.	.	H	α-helix	trans	-60.6	-40.5	174.7	-167.8	0	0	0	0	112.1	Y122 D123 H128 S130	Y122-S126 PolarHBondContact O-N 3.35Å; D123-S126 PolarHBondContact O-N 2.76Å; S126-H128 PolarHBondContact O-N 2.97Å; S126-S130 WeakPolarHBondContact O-CB 3.31Å; S126-S130 PolarHBondContact O-N 2.77Å; S126-S130 PolarHBondContact O-OG 3.44Å
127	D	77.3	Confident	66.5	Low	96 Å²	96	75 Å²	75	51%	0.513	42%	0.417	S	S	.	.	H	α-helix	trans	-71.4	-14.9	174.9	-131.4	43.6	0	0	0	112.1	D123 L125 K131	D123-D127 VanDerWaalsContact O-CB 3.25Å; D123-D127 WeakPolarHBondContact O-CB 3.46Å; D123-D127 PolarHBondContact O-N 3.39Å; L125-D127 VanDerWaalsContact C-N 3.31Å; L125-D127 PolarHBondContact O-N 3.12Å; D127-K131 WeakPolarHBondContact O-CD 3.29Å; D127-K131 WeakPolarHBondContact O-CE 3.3Å; D127-K131 VanDerWaalsContact O-CG 3.31Å; D127-K131 WeakPolarHBondContact O-CG 2.94Å; D127-K131 PolarHBondContact O-NZ 3.19Å; D127-K131 IonicContact OD1-NZ 2.64Å; D127-K131 IonicContact OD2-NZ 2.63Å; D127-K131 PolarHBondContact OD2-NZ 2.98Å
128	H	78.5	Confident	65.1	Low	22 Å²	22	76.2 Å²	76.2	10%	0.102	43%	0.427	C	S	.	.	H	α-helix	trans	-87.2	-55.2	170.4	169.5	88.9	0	0	0	110.2	C115 F117 S124 L125 S126 S130 K131 F132 H133	C115-H128 VanDerWaalsContact SG-CE1 3.58Å; C115-H128 PolarHBondContact SG-NE2 3.48Å; F117-H128 HydrophobicContact CD1-CB 3.88Å; F117-H128 AromaticContact CD1-CG 3.65Å; F117-H128 AromaticContact CD1-ND1 3.89Å; F117-H128 HydrophobicContact CE1-CB 3.91Å; F117-H128 AromaticContact CG-ND1 3.84Å; S124-H128 WeakPolarHBondContact O-CB 3.35Å; S124-H128 PolarHBondContact O-N 2.82Å; L125-H128 CarbonylContact O-C 3.59Å; L125-H128 WeakPolarHBondContact O-CA 3.26Å; L125-H128 WeakPolarHBondContact O-CB 3.44Å; L125-H128 PolarHBondContact O-N 2.86Å; S126-H128 PolarHBondContact O-N 2.97Å; H128-S130 VanDerWaalsContact C-N 3.29Å; H128-S130 PolarHBondContact O-N 3.4Å; H128-K131 PolarHBondContact O-N 2.93Å; H128-F132 AromaticContact CE1-CD2 3.47Å; H128-F132 VanDerWaalsContact CE1-CD2 3.47Å; H128-F132 WeakPolarHBondContact CE1-CD2 3.4Å; H128-F132 AromaticContact CE1-CG 3.8Å; H128-F132 AromaticContact CG-CD2 3.92Å; H128-F132 AromaticContact ND1-CD2 3.26Å; H128-F132 VanDerWaalsContact ND1-CD2 3.26Å; H128-F132 WeakPolarHBondContact ND1-CD2 3.31Å; H128-F132 AromaticContact ND1-CE2 3.76Å; H128-F132 WeakPolarHBondContact O-CD2 3.43Å; H128-F132 PolarHBondContact O-N 3.32Å; H128-H133 AromaticContact NE2-CD2 3.85Å; H128-H133 AromaticContact NE2-NE2 3.96Å
129	N	71.7	Confident	64.7	Low	6 Å²	6	75.1 Å²	75.1	3%	0.032	42%	0.415	C	S	.	.	H	α-helix	trans	-55.2	-44.2	179.9	-67	31.9	0	0	0	111.4	L125 K131 H133 F139 Q154	L125-N129 WeakPolarHBondContact CD1-OD1 3.25Å; L125-N129 PolarHBondContact O-N 2.9Å; L125-N129 PolarHBondContact O-OD1 3.19Å; N129-K131 PolarHBondContact O-N 3.46Å; N129-K131 VanDerWaalsContact O-N 3.1Å; N129-H133 CarbonylContact O-C 3.57Å; N129-H133 VanDerWaalsContact O-C 3.28Å; N129-H133 VanDerWaalsContact O-CA 3.24Å; N129-H133 WeakPolarHBondContact O-CA 3.49Å; N129-H133 VanDerWaalsContact O-CB 3.32Å; N129-H133 WeakPolarHBondContact O-CB 3.27Å; N129-H133 PolarHBondContact O-N 2.96Å; N129-F139 HydrophobicContact CB-CE2 3.94Å; N129-F139 HydrophobicContact CB-CZ 3.86Å; N129-F139 WeakPolarHBondContact ND2-CE1 3.37Å; N129-F139 WeakPolarHBondContact ND2-CZ 3.48Å; N129-Q154 PolarHBondContact ND2-NE2 2.88Å
130	S	71.1	Confident	63.7	Low	76 Å²	76	78.9 Å²	78.9	53%	0.531	43%	0.43	S	S	.	.	H	α-helix	trans	-65.1	-12.1	177.7	57.2	0	0	0	0	115.6	S126 H128	S126-S130 WeakPolarHBondContact O-CB 3.31Å; S126-S130 PolarHBondContact O-N 2.77Å; S126-S130 PolarHBondContact O-OG 3.44Å; H128-S130 VanDerWaalsContact C-N 3.29Å; H128-S130 PolarHBondContact O-N 3.4Å
131	K	72.4	Confident	63.4	Low	119 Å²	119	75 Å²	75	52%	0.517	42%	0.416	S	S	.	.	H	α-helix	trans	-113.5	-28.5	-178.9	-61.3	-171.7	-163.6	107	0	114.1	D127 H128 N129	D127-K131 WeakPolarHBondContact O-CD 3.29Å; D127-K131 WeakPolarHBondContact O-CE 3.3Å; D127-K131 VanDerWaalsContact O-CG 3.31Å; D127-K131 WeakPolarHBondContact O-CG 2.94Å; D127-K131 PolarHBondContact O-NZ 3.19Å; D127-K131 IonicContact OD1-NZ 2.64Å; D127-K131 IonicContact OD2-NZ 2.63Å; D127-K131 PolarHBondContact OD2-NZ 2.98Å; H128-K131 PolarHBondContact O-N 2.93Å; N129-K131 PolarHBondContact O-N 3.46Å; N129-K131 VanDerWaalsContact O-N 3.1Å
132	F	60.5	Low	62.7	Low	140 Å²	140	73 Å²	73	61%	0.614	41%	0.407	S	S	*	.	H	α-helix	trans	-111.7	-15.7	-177.3	-62.4	-77.9	0	0	0	113.2	H128	H128-F132 AromaticContact CE1-CD2 3.47Å; H128-F132 VanDerWaalsContact CE1-CD2 3.47Å; H128-F132 WeakPolarHBondContact CE1-CD2 3.4Å; H128-F132 AromaticContact CE1-CG 3.8Å; H128-F132 AromaticContact CG-CD2 3.92Å; H128-F132 AromaticContact ND1-CD2 3.26Å; H128-F132 VanDerWaalsContact ND1-CD2 3.26Å; H128-F132 WeakPolarHBondContact ND1-CD2 3.31Å; H128-F132 AromaticContact ND1-CE2 3.76Å; H128-F132 WeakPolarHBondContact O-CD2 3.43Å; H128-F132 PolarHBondContact O-N 3.32Å
133	H	66.1	Low	61.7	Low	28 Å²	28	73.5 Å²	73.5	13%	0.13	42%	0.415	C	S	.	.			trans	-129	53.6	-179.1	-68.2	-82.4	0	0	0	113.2	E114 H128 N129 G135 E136 F139	E114-H133 WeakPolarHBondContact CB-CE1 3.35Å; H128-H133 AromaticContact NE2-CD2 3.85Å; H128-H133 AromaticContact NE2-NE2 3.96Å; N129-H133 CarbonylContact O-C 3.57Å; N129-H133 VanDerWaalsContact O-C 3.28Å; N129-H133 VanDerWaalsContact O-CA 3.24Å; N129-H133 WeakPolarHBondContact O-CA 3.49Å; N129-H133 VanDerWaalsContact O-CB 3.32Å; N129-H133 WeakPolarHBondContact O-CB 3.27Å; N129-H133 PolarHBondContact O-N 2.96Å; H133-G135 PolarHBondContact O-N 3.25Å; H133-E136 WeakPolarHBondContact CB-OE2 3.22Å; H133-E136 IonicContact CE1-OE1 2.7Å; H133-E136 IonicContact CG-OE1 2.87Å; H133-E136 IonicContact CG-OE2 3.15Å; H133-E136 IonicContact ND1-OE1 2.75Å; H133-E136 PolarHBondContact ND1-OE1 3.46Å; H133-E136 IonicContact ND1-OE2 3.15Å; H133-E136 PolarHBondContact ND1-OE2 2.98Å; H133-F139 HydrophobicContact CB-CZ 4.27Å
134	P	52.8	Low	60.7	Low	113 Å²	113	71.3 Å²	71.3	73%	0.734	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	90.4	-177.3	32.4	-36.3	0	0	0	112.5
135	G	53.4	Low	59.1	Low	72 Å²	72	76.6 Å²	76.6	74%	0.742	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	155.7	-17.7	172.5	0	0	0	0	0	114.7	H133 A137	H133-G135 PolarHBondContact O-N 3.25Å; G135-A137 PolarHBondContact O-N 2.92Å
136	E	54.1	Low	57.7	Low	54 Å²	54	85.1 Å²	85.1	25%	0.252	45%	0.452	S	S	.	.			trans	-83.9	69.4	-169.7	-64.1	163.9	-157.2	0	0	112.8	H133 N138 F139 I156	H133-E136 WeakPolarHBondContact CB-OE2 3.22Å; H133-E136 IonicContact CE1-OE1 2.7Å; H133-E136 IonicContact CG-OE1 2.87Å; H133-E136 IonicContact CG-OE2 3.15Å; H133-E136 IonicContact ND1-OE1 2.75Å; H133-E136 PolarHBondContact ND1-OE1 3.46Å; H133-E136 IonicContact ND1-OE2 3.15Å; H133-E136 PolarHBondContact ND1-OE2 2.98Å; E136-N138 PolarHBondContact O-N 3.2Å; E136-N138 VanDerWaalsContact O-N 3.09Å; E136-F139 HydrophobicContact CB-CE1 3.76Å; E136-F139 HydrophobicContact CB-CE2 4.21Å; E136-F139 HydrophobicContact CB-CZ 3.55Å; E136-F139 WeakPolarHBondContact O-CD2 3.44Å; E136-F139 WeakPolarHBondContact O-CE2 3.33Å; E136-F139 WeakPolarHBondContact O-CZ 3.28Å; E136-F139 VanDerWaalsContact OE2-CE1 3.24Å; E136-F139 WeakPolarHBondContact OE2-CE1 3.41Å; E136-F139 WeakPolarHBondContact OE2-CZ 3.39Å; E136-I156 HydrophobicContact CB-CD1 4.3Å; E136-I156 HydrophobicContact CB-CG1 4.3Å; E136-I156 HydrophobicContact CG-CD1 3.74Å; E136-I156 HydrophobicContact CG-CG1 4.29Å; E136-I156 VanDerWaalsContact OE2-CD1 3.3Å; E136-I156 WeakPolarHBondContact OE2-CD1 3.33Å
137	A	47.3	Very low	56	Low	92 Å²	92	89.9 Å²	89.9	76%	0.76	47%	0.473	S	S	*	.			trans	-63.6	-17.1	-175.2	0	0	0	0	0	115.3	G135 F139	G135-A137 PolarHBondContact O-N 2.92Å; A137-F139 PolarHBondContact O-N 3.25Å
138	N	42	Very low	54.6	Low	107 Å²	107	92.7 Å²	92.7	57%	0.572	49%	0.488	S	S	*	.			trans	-101.7	43.4	-168	-65.5	-48.4	0	0	0	114	E136 K140	E136-N138 PolarHBondContact O-N 3.2Å; E136-N138 VanDerWaalsContact O-N 3.09Å; N138-K140 PolarHBondContact O-N 3.24Å
139	F	53.7	Low	52.9	Low	60 Å²	60	94.8 Å²	94.8	26%	0.263	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	123	178.6	-68.6	-56.7	0	0	0	113.3	N129 H133 E136 A137 Q154 I156	N129-F139 HydrophobicContact CB-CE2 3.94Å; N129-F139 HydrophobicContact CB-CZ 3.86Å; N129-F139 WeakPolarHBondContact ND2-CE1 3.37Å; N129-F139 WeakPolarHBondContact ND2-CZ 3.48Å; H133-F139 HydrophobicContact CB-CZ 4.27Å; E136-F139 HydrophobicContact CB-CE1 3.76Å; E136-F139 HydrophobicContact CB-CE2 4.21Å; E136-F139 HydrophobicContact CB-CZ 3.55Å; E136-F139 WeakPolarHBondContact O-CD2 3.44Å; E136-F139 WeakPolarHBondContact O-CE2 3.33Å; E136-F139 WeakPolarHBondContact O-CZ 3.28Å; E136-F139 VanDerWaalsContact OE2-CE1 3.24Å; E136-F139 WeakPolarHBondContact OE2-CE1 3.41Å; E136-F139 WeakPolarHBondContact OE2-CZ 3.39Å; A137-F139 PolarHBondContact O-N 3.25Å; F139-Q154 HydrophobicContact CB-CG 3.81Å; F139-Q154 HydrophobicContact CD1-CG 3.92Å; F139-Q154 HydrophobicContact CG-CG 4.02Å; F139-I156 HydrophobicContact CD1-CG1 4.3Å; F139-I156 HydrophobicContact CE1-CG1 4.17Å
140	K	50.1	Low	52	Low	99 Å²	99	96.4 Å²	96.4	43%	0.43	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	107.9	179.8	-161.7	174	-173.7	179.9	0	110.1	N138 K142 S155 E157	N138-K140 PolarHBondContact O-N 3.24Å; K140-K142 PolarHBondContact O-N 2.98Å; K140-S155 PolarHBondContact N-O 3.28Å; K140-S155 PolarHBondContact O-N 3.17Å; K140-E157 WeakPolarHBondContact CD-OE1 3.48Å; K140-E157 WeakPolarHBondContact CD-OE2 3.49Å; K140-E157 IonicContact NZ-OE1 3.34Å; K140-E157 PolarHBondContact NZ-OE1 2.92Å; K140-E157 IonicContact NZ-OE2 3.35Å; K140-E157 PolarHBondContact NZ-OE2 3.28Å
141	L	57.3	Low	51	Low	71 Å²	71	93.7 Å²	93.7	37%	0.372	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	111.8	177.7	-78.6	75.1	0	0	0	109.9	Y122 L152 E153 Q154	Y122-L141 HydrophobicContact CE2-CD2 4.34Å; L141-L152 HydrophobicContact CD2-CB 4.38Å; L141-L152 HydrophobicContact CD2-CD2 4.47Å; L141-E153 CarbonylContact C-O 3.46Å; L141-E153 WeakPolarHBondContact CA-O 3.39Å; L141-Q154 HydrophobicContact CD1-CB 4.35Å; L141-Q154 HydrophobicContact CD1-CG 3.85Å; L141-Q154 HydrophobicContact CG-CB 4.24Å; L141-Q154 HydrophobicContact CG-CG 4.29Å
142	K	46.3	Very low	50.2	Low	87 Å²	87	89.1 Å²	89.1	38%	0.378	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.8	174.6	-73.9	169.5	-179.9	161.3	0	108.3	K140 I144 E153 E157	K140-K142 PolarHBondContact O-N 2.98Å; K142-I144 PolarHBondContact O-N 3.34Å; K142-E153 PolarHBondContact N-O 3.03Å; K142-E153 PolarHBondContact O-N 3.39Å; K142-E157 IonicContact NZ-OE1 3.63Å; K142-E157 PolarHBondContact NZ-OE1 3.23Å; K142-E157 VanDerWaalsContact NZ-OE1 3.15Å
143	L	47.7	Very low	49.8	Very low	96 Å²	96	85.4 Å²	85.4	50%	0.503	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	116.3	-179	-176.5	67	0	0	0	110.8	T150 V151 L152	L143-T150 HydrophobicContact CD1-CG2 3.37Å; L143-T150 HydrophobicContact CD2-CG2 4Å; L143-T150 HydrophobicContact CG-CG2 4.1Å; L143-V151 VanDerWaalsContact CD1-O 3.25Å; L143-V151 WeakPolarHBondContact CD1-O 3.29Å; L143-L152 HydrophobicContact CB-CD2 4.05Å; L143-L152 HydrophobicContact CD1-CD2 3.56Å; L143-L152 HydrophobicContact CD1-CG 3.72Å; L143-L152 HydrophobicContact CG-CD2 4.36Å
144	I	50.3	Low	49.2	Very low	53 Å²	53	84.3 Å²	84.3	27%	0.272	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.3	-175.9	-68.6	169	0	0	0	109.2	K142 R146 V151 E153	K142-I144 PolarHBondContact O-N 3.34Å; I144-R146 PolarHBondContact O-N 2.9Å; I144-V151 PolarHBondContact N-O 2.82Å; I144-V151 WeakPolarHBondContact O-CA 3.29Å; I144-V151 WeakPolarHBondContact O-CB 3.47Å; I144-V151 PolarHBondContact O-N 3.35Å; I144-E153 HydrophobicContact CD1-CB 4.05Å; I144-E153 WeakPolarHBondContact CD1-OE2 3.23Å
145	K	43	Very low	49.1	Very low	164 Å²	164	80.3 Å²	80.3	71%	0.713	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	103.6	176	-173.5	174.8	-178.3	174	0	109.8
146	R	42.8	Very low	48.9	Very low	180 Å²	180	79.3 Å²	79.3	68%	0.679	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	135	175.4	-117.4	-178.3	174.3	105	-0.6	110.4	I144 N148 Q149	I144-R146 PolarHBondContact O-N 2.9Å; R146-N148 PolarHBondContact O-N 3.01Å; R146-Q149 PolarHBondContact N-O 2.81Å; R146-Q149 PolarHBondContact O-N 3.32Å
147	N	36.8	Very low	48.2	Very low	153 Å²	153	81 Å²	81	82%	0.818	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	51.8	173.7	-149.3	30.9	0	0	0	114.9	Q149	N147-Q149 PolarHBondContact O-N 3.08Å; N147-Q149 VanDerWaalsContact O-N 3.08Å
148	N	49.3	Very low	47.6	Very low	155 Å²	155	80.9 Å²	80.9	83%	0.829	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	5	-175.1	-70.7	5.3	0	0	0	116.9	R146	R146-N148 PolarHBondContact O-N 3.01Å
149	Q	41.5	Very low	47.2	Very low	66 Å²	66	79.9 Å²	79.9	31%	0.308	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	148.9	174.1	-165	152.7	23.1	0	0	112	N107 L109 R146 N147 V151	N107-Q149 PolarHBondContact O-NE2 3.03Å; L109-Q149 HydrophobicContact CD1-CG 4.49Å; L109-Q149 HydrophobicContact CG-CG 4.44Å; R146-Q149 PolarHBondContact N-O 2.81Å; R146-Q149 PolarHBondContact O-N 3.32Å; N147-Q149 PolarHBondContact O-N 3.08Å; N147-Q149 VanDerWaalsContact O-N 3.08Å; Q149-V151 HydrophobicContact CB-CG2 4.49Å
150	T	52.8	Low	46.4	Very low	39 Å²	39	84.6 Å²	84.6	24%	0.239	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	100.7	179.2	-55.7	0	0	0	0	107.9	L106 P108 L143	L106-T150 HydrophobicContact CD2-CG2 3.84Å; P108-T150 WeakPolarHBondContact CA-O 3.46Å; L143-T150 HydrophobicContact CD1-CG2 3.37Å; L143-T150 HydrophobicContact CD2-CG2 4Å; L143-T150 HydrophobicContact CG-CG2 4.1Å
151	V	51.8	Low	45.4	Very low	20 Å²	20	88.4 Å²	88.4	12%	0.121	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127.8	-172.8	-173.3	0	0	0	0	109.6	L109 V111 L143 I144 Q149	L109-V151 HydrophobicContact CB-CG1 4.4Å; L109-V151 CarbonylContact O-C 3.58Å; L109-V151 WeakPolarHBondContact O-CA 3.4Å; L109-V151 WeakPolarHBondContact O-CG1 3.48Å; V111-V151 HydrophobicContact CB-CG1 4.29Å; V111-V151 HydrophobicContact CG2-CG1 3.51Å; L143-V151 VanDerWaalsContact CD1-O 3.25Å; L143-V151 WeakPolarHBondContact CD1-O 3.29Å; I144-V151 PolarHBondContact N-O 2.82Å; I144-V151 WeakPolarHBondContact O-CA 3.29Å; I144-V151 WeakPolarHBondContact O-CB 3.47Å; I144-V151 PolarHBondContact O-N 3.35Å; Q149-V151 HydrophobicContact CB-CG2 4.49Å
152	L	54.5	Low	44.2	Very low	22 Å²	22	89.9 Å²	89.9	12%	0.115	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	97.6	172.8	-77.5	165.5	0	0	0	108.4	P108 L109 Y110 V111 L141 L143	P108-L152 HydrophobicContact CB-CD1 4.06Å; L109-L152 PolarHBondContact O-N 3.38Å; Y110-L152 WeakPolarHBondContact CA-O 3.42Å; Y110-L152 HydrophobicContact CD1-CB 3.94Å; Y110-L152 HydrophobicContact CD1-CD1 4Å; Y110-L152 HydrophobicContact CE1-CB 4.29Å; Y110-L152 HydrophobicContact CE1-CD1 3.45Å; Y110-L152 VanDerWaalsContact CE1-CD1 3.45Å; V111-L152 PolarHBondContact N-O 2.91Å; L141-L152 HydrophobicContact CD2-CB 4.38Å; L141-L152 HydrophobicContact CD2-CD2 4.47Å; L143-L152 HydrophobicContact CB-CD2 4.05Å; L143-L152 HydrophobicContact CD1-CD2 3.56Å; L143-L152 HydrophobicContact CD1-CG 3.72Å; L143-L152 HydrophobicContact CG-CD2 4.36Å
153	E	53.2	Low	43.4	Very low	62 Å²	62	92 Å²	92	29%	0.29	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.5	178.9	-164	177.8	118.7	0	0	109.2	A113 L141 K142 I144	A113-E153 HydrophobicContact CB-CG 4.28Å; L141-E153 CarbonylContact C-O 3.46Å; L141-E153 WeakPolarHBondContact CA-O 3.39Å; K142-E153 PolarHBondContact N-O 3.03Å; K142-E153 PolarHBondContact O-N 3.39Å; I144-E153 HydrophobicContact CD1-CB 4.05Å; I144-E153 WeakPolarHBondContact CD1-OE2 3.23Å
154	Q	52.6	Low	42.4	Very low	6 Å²	6	92 Å²	92	3%	0.028	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	111.7	-177.3	-173.4	165.6	-10.2	0	0	108.9	V111 A113 L125 N129 F139 L141	V111-Q154 PolarHBondContact O-N 3.01Å; A113-Q154 VanDerWaalsContact CB-O 3.26Å; A113-Q154 WeakPolarHBondContact CB-O 3.36Å; A113-Q154 PolarHBondContact N-O 3.39Å; L125-Q154 HydrophobicContact CD2-CB 4.17Å; N129-Q154 PolarHBondContact ND2-NE2 2.88Å; F139-Q154 HydrophobicContact CB-CG 3.81Å; F139-Q154 HydrophobicContact CD1-CG 3.92Å; F139-Q154 HydrophobicContact CG-CG 4.02Å; L141-Q154 HydrophobicContact CD1-CB 4.35Å; L141-Q154 HydrophobicContact CD1-CG 3.85Å; L141-Q154 HydrophobicContact CG-CB 4.24Å; L141-Q154 HydrophobicContact CG-CG 4.29Å
155	S	50.5	Low	41.4	Very low	29 Å²	29	97.3 Å²	97.3	20%	0.203	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	144.4	-174.3	161.2	0	0	0	0	110.4	K140	K140-S155 PolarHBondContact N-O 3.28Å; K140-S155 PolarHBondContact O-N 3.17Å
156	I	48.6	Very low	40.7	Very low	51 Å²	51	95.1 Å²	95.1	26%	0.262	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	137.5	176.1	-41.4	156.9	0	0	0	109.3	E114 E136 F139	E114-I156 HydrophobicContact CG-CD1 3.85Å; E114-I156 HydrophobicContact CG-CG1 4.28Å; E136-I156 HydrophobicContact CB-CD1 4.3Å; E136-I156 HydrophobicContact CB-CG1 4.3Å; E136-I156 HydrophobicContact CG-CD1 3.74Å; E136-I156 HydrophobicContact CG-CG1 4.29Å; E136-I156 VanDerWaalsContact OE2-CD1 3.3Å; E136-I156 WeakPolarHBondContact OE2-CD1 3.33Å; F139-I156 HydrophobicContact CD1-CG1 4.3Å; F139-I156 HydrophobicContact CE1-CG1 4.17Å
157	E	40	Very low	40	Very low	89 Å²	89	93.1 Å²	93.1	42%	0.416	54%	0.536	S	S	.	.			trans	-97.8	105.7	169.5	-142.3	153.8	-113.7	0	0	109.1	K140 K142 A159	K140-E157 WeakPolarHBondContact CD-OE1 3.48Å; K140-E157 WeakPolarHBondContact CD-OE2 3.49Å; K140-E157 IonicContact NZ-OE1 3.34Å; K140-E157 PolarHBondContact NZ-OE1 2.92Å; K140-E157 IonicContact NZ-OE2 3.35Å; K140-E157 PolarHBondContact NZ-OE2 3.28Å; K142-E157 IonicContact NZ-OE1 3.63Å; K142-E157 PolarHBondContact NZ-OE1 3.23Å; K142-E157 VanDerWaalsContact NZ-OE1 3.15Å; E157-A159 PolarHBondContact O-N 2.85Å
158	A	35	Very low	39.5	Very low	89 Å²	89	91.2 Å²	91.2	74%	0.736	54%	0.535	S	S	*	.			trans	-70.7	93	-172.6	0	0	0	0	0	112	N160	A158-N160 PolarHBondContact O-N 3.24Å
159	A	32.9	Very low	38.4	Very low	86 Å²	86	87.3 Å²	87.3	71%	0.711	53%	0.531	S	S	*	.			trans	-73.8	107.1	170.6	0	0	0	0	0	110	E157 H161	E157-A159 PolarHBondContact O-N 2.85Å; A159-H161 PolarHBondContact O-N 3.32Å
160	N	37.2	Very low	38.4	Very low	159 Å²	159	90.6 Å²	90.6	85%	0.85	56%	0.558	S	S	*	*			trans	-62.4	122.7	168.8	-65.8	-70	0	0	0	109.5	A158	A158-N160 PolarHBondContact O-N 3.24Å
161	H	29.8	Very low	37.2	Very low	180 Å²	180	92 Å²	92	83%	0.833	58%	0.58	S	S	*	*			trans	-134	129.3	153	-154.7	-76.2	0	0	0	110.5	A159	A159-H161 PolarHBondContact O-N 3.32Å
162	V	31.8	Very low	36.3	Very low	101 Å²	101	98 Å²	98	61%	0.612	62%	0.617	S	S	*	*			trans	-78.5	142.4	-177	170.8	0	0	0	0	110.2	S164	V162-S164 WeakPolarHBondContact CG1-OG 3.29Å
163	V	28.9	Very low	35.1	Very low	132 Å²	132	100.1 Å²	100.1	80%	0.8	65%	0.645	S	S	*	*			trans	-125	105.7	153.3	178	0	0	0	0	106.8
164	S	26.9	Very low	34	Very low	96 Å²	96	104.3 Å²	104.3	67%	0.671	67%	0.669	S	S	*	*			trans	-98.1	125.4	174.9	-65.9	0	0	0	0	109.8	V162	V162-S164 WeakPolarHBondContact CG1-OG 3.29Å
165	I	30.5	Very low	33.1	Very low	165 Å²	165	109.8 Å²	109.8	85%	0.846	71%	0.708	S	S	*	*			trans	-128	142	159	-60.9	-177.3	0	0	0	106.9
166	T	27.9	Very low	32	Very low	117 Å²	117	115.2 Å²	115.2	72%	0.718	73%	0.734	S	S	*	*			trans	-121.5	136.5	-151.6	52.3	0	0	0	0	114.4
167	T	26.5	Very low	31.2	Very low	138 Å²	138	117.7 Å²	117.7	85%	0.847	76%	0.757	S	S	*	*			trans	-158.5	125.8	149.1	7	0	0	0	0	113.3
168	S	26.5	Very low	30.5	Very low	114 Å²	114	116.9 Å²	116.9	80%	0.797	77%	0.772	S	S	*	*			trans	39.4	120.4	150.4	54.6	0	0	0	0	122.1
169	G	26.6	Very low	30.3	Very low	72 Å²	72	121 Å²	121	74%	0.742	78%	0.78	S	S	*	*			trans	-85.7	-142.6	160.9	0	0	0	0	0	113.4
170	P	41.3	Very low	30	Very low	135 Å²	135	122.1 Å²	122.1	88%	0.877	78%	0.782	S	S	*	*			cis	-139.7	173.3	20.2	43.2	-25.7	0	0	0	118
171	G	28.6	Very low	29.5	Very low	68 Å²	68	120.1 Å²	120.1	70%	0.701	78%	0.775	S	S	*	*			trans	92.9	143.4	158.2	0	0	0	0	0	116.8
172	T	33	Very low	29.5	Very low	146 Å²	146	115.7 Å²	115.7	90%	0.896	77%	0.765	S	S	*	*			cis	-159.8	142	1.8	-62.2	0	0	0	0	110.8
173	G	28.6	Very low	29.4	Very low	68 Å²	68	120.2 Å²	120.2	70%	0.701	78%	0.776	S	S	*	*			trans	58.1	98.3	156.3	0	0	0	0	0	118
174	D	30.9	Very low	29.7	Very low	150 Å²	150	120.3 Å²	120.3	80%	0.802	78%	0.777	S	S	*	*			cis	78.6	120.7	49	-163	13.9	0	0	0	115.1
175	S	32.2	Very low	30	Very low	121 Å²	121	121.3 Å²	121.3	85%	0.846	78%	0.782	S	S	*	*			trans	-176.4	78.4	167.9	-77.4	0	0	0	0	110.4
176	D	27.5	Very low	29.8	Very low	142 Å²	142	120.7 Å²	120.7	76%	0.759	78%	0.779	S	S	*	*			trans	-60.4	165.1	160.1	-155.8	37.3	0	0	0	109.8
177	S	32	Very low	29.7	Very low	104 Å²	104	122.3 Å²	122.3	73%	0.727	78%	0.78	S	S	*	*			cis	-165.5	-175.3	22.9	-157	0	0	0	0	111.4
178	G	26.5	Very low	30.1	Very low	72 Å²	72	124.6 Å²	124.6	74%	0.742	78%	0.778	S	S	*	*			trans	131.6	87.1	149.5	0	0	0	0	0	118.7
179	I	30.9	Very low	31.2	Very low	176 Å²	176	125.5 Å²	125.5	90%	0.903	78%	0.781	S	S	*	*			trans	-86.8	128.8	168.6	-57.7	162.7	0	0	0	110.2
180	S	25.5	Very low	31.2	Very low	108 Å²	108	125.8 Å²	125.8	76%	0.755	78%	0.784	S	S	*	*			trans	-162.6	108.8	161.4	-156	0	0	0	0	119.7
181	V	27.7	Very low	30.7	Very low	117 Å²	117	129.2 Å²	129.2	71%	0.709	79%	0.785	S	S	*	*				46.5	94.3	123.5	-167.7	0	0	0	0	122.7
182	S	29.1	Very low	31.9	Very low	87 Å²	87	131.4 Å²	131.4	61%	0.608	79%	0.787	S	S	*	*				77.5	166.8	128.4	85.7	0	0	0	0	124.7
183	K	30.5	Very low	31.4	Very low	197 Å²	197	134 Å²	134	86%	0.857	79%	0.786	S	S	*	*			trans	82.2	125	158.4	-70.5	165.6	-175.8	170.8	0	120.6
184	T	33.8	Very low	31.6	Very low	134 Å²	134	135.5 Å²	135.5	82%	0.822	79%	0.791	S	S	*	*			trans	-87.8	155.7	161	55.3	0	0	0	0	112.1
185	P	34.1	Very low	31.5	Very low	117 Å²	117	135.1 Å²	135.1	76%	0.76	79%	0.789	S	S	*	*			trans	-149.1	131.7	133.1	34.6	-16.5	0	0	0	118.1
186	I	26.3	Very low	31.7	Very low	152 Å²	152	133.2 Å²	133.2	78%	0.779	78%	0.781	S	S	*	*			trans	29.1	126	130.2	-135.7	157.5	0	0	0	124.2
187	M	26.5	Very low	31.9	Very low	150 Å²	150	135 Å²	135	74%	0.739	78%	0.782	S	S	*	*			trans	56.4	122.8	138.9	-72.4	175.5	62.6	0	0	126
188	K	34.7	Very low	31.7	Very low	187 Å²	187	139.4 Å²	139.4	81%	0.813	79%	0.788	S	S	*	*				47.5	164.7	122.5	-69	-173	177.8	-178.2	0	121.9
189	P	48.4	Very low	31.7	Very low	132 Å²	132	142.4 Å²	142.4	86%	0.857	79%	0.791	S	S	*	*			cis	-131.2	-170.5	-13	38.4	-19.5	0	0	0	114.7
190	G	26.1	Very low	32.4	Very low	79 Å²	79	139.7 Å²	139.7	81%	0.814	79%	0.785	S	S	*	*			trans	179.7	141.1	166	0	0	0	0	0	118.3
191	K	31.3	Very low	32.5	Very low	207 Å²	207	143.6 Å²	143.6	90%	0.9	79%	0.789	S	S	*	*			trans	-177.4	174.4	174.7	-118.8	-175.1	-179.9	-176.3	0	108.4
192	P	53.6	Low	32.4	Very low	113 Å²	113	145 Å²	145	73%	0.734	79%	0.785	S	S	*	*			cis	-137.5	-175.8	-17.6	43	-25.8	0	0	0	115.2
193	K	23.5	Very low	32.8	Very low	202 Å²	202	145.9 Å²	145.9	88%	0.878	79%	0.789	S	S	*	*			trans	-175.7	140	144.8	-99	-178.1	179.5	-176.4	0	107.9
194	A	32.5	Very low	32.5	Very low	98 Å²	98	141.9 Å²	141.9	81%	0.81	77%	0.773	S	S	*	*				83.4	139.7	50.2	0	0	0	0	0	113.2
195	D	29.1	Very low	32.1	Very low	142 Å²	142	143.6 Å²	143.6	76%	0.759	77%	0.772	S	S	*	*			cis	-123.1	-172.4	20.9	-178	-133.7	0	0	0	114.1	K197	D195-K197 IonicContact OD1-NZ 3.87Å
196	A	35.3	Very low	31.6	Very low	81 Å²	81	145 Å²	145	67%	0.669	77%	0.772	S	S	*	*			trans	-150.9	157.8	-175.2	0	0	0	0	0	117.5
197	K	32.9	Very low	31.5	Very low	181 Å²	181	144 Å²	144	79%	0.787	77%	0.773	S	S	*	*			trans	-165.5	151.8	171	-92.8	132.6	-167.5	167.4	0	110.2	D195	D195-K197 IonicContact OD1-NZ 3.87Å
198	K	27.6	Very low	31.9	Very low	196 Å²	196	142.1 Å²	142.1	85%	0.852	77%	0.771	S	S	*	*			cis	-152.3	152.1	2.1	-137.5	173	-177.4	-174.3	0	110
199	V	27.1	Very low	31.3	Very low	134 Å²	134	140.6 Å²	140.6	81%	0.812	77%	0.767	S	S	*	*			trans	-143.3	133	-172.4	176	0	0	0	0	113.3
200	P	45.4	Very low	30.1	Very low	119 Å²	119	140.8 Å²	140.8	77%	0.773	76%	0.761	S	S	*	*				-131	-172.5	128.8	41.9	-32.1	0	0	0	110.1
201	K	26.1	Very low	29.9	Very low	191 Å²	191	145 Å²	145	83%	0.83	76%	0.76	S	S	*	*			cis	-150.3	-167.5	4.7	-150.7	-155.3	172.5	-166.4	0	110
202	K	25.8	Very low	29.7	Very low	145 Å²	145	140.1 Å²	140.1	63%	0.63	75%	0.746	S	S	*	*			trans	-158	-168.2	175.6	-119.9	-178.4	154.1	-143.6	0	108.2	E204	K202-E204 WeakPolarHBondContact CD-OE1 3.27Å; K202-E204 VanDerWaalsContact CE-OE1 3.28Å; K202-E204 WeakPolarHBondContact CE-OE1 3.33Å; K202-E204 WeakPolarHBondContact CE-OE2 3.43Å; K202-E204 IonicContact NZ-OE1 2.77Å; K202-E204 PolarHBondContact NZ-OE1 3.15Å; K202-E204 IonicContact NZ-OE2 2.63Å; K202-E204 PolarHBondContact NZ-OE2 3.46Å
203	P	37.8	Very low	28.3	Very low	106 Å²	106	143.2 Å²	143.2	69%	0.688	75%	0.751	S	S	*	*			cis	-134.1	-157.9	11.2	51.3	-33.4	0	0	0	111.6
204	E	24.9	Very low	28.4	Very low	113 Å²	113	136.3 Å²	136.3	53%	0.528	74%	0.738	S	S	.	*			cis	-164.4	155.3	-26.4	-120.9	24.4	103.5	0	0	113.2	K202	K202-E204 WeakPolarHBondContact CD-OE1 3.27Å; K202-E204 VanDerWaalsContact CE-OE1 3.28Å; K202-E204 WeakPolarHBondContact CE-OE1 3.33Å; K202-E204 WeakPolarHBondContact CE-OE2 3.43Å; K202-E204 IonicContact NZ-OE1 2.77Å; K202-E204 PolarHBondContact NZ-OE1 3.15Å; K202-E204 IonicContact NZ-OE2 2.63Å; K202-E204 PolarHBondContact NZ-OE2 3.46Å
205	E	24.3	Very low	28.3	Very low	171 Å²	171	138.1 Å²	138.1	80%	0.799	74%	0.739	S	S	*	*			trans	62.9	158.9	133.2	-148.7	170.9	129.9	0	0	125.6
206	I	24.1	Very low	28.2	Very low	147 Å²	147	136.1 Å²	136.1	75%	0.754	74%	0.742	S	S	*	*			trans	111.7	134.8	156.4	-56.1	169.7	0	0	0	117
207	T	24.1	Very low	28	Very low	130 Å²	130	143.1 Å²	143.1	80%	0.798	75%	0.751	S	S	*	*			trans	-129.1	146.7	166.2	-27	0	0	0	0	107.3
208	P	34.4	Very low	27.9	Very low	110 Å²	110	142 Å²	142	71%	0.714	75%	0.753	S	S	*	*				-150.1	-120.8	99.6	39.6	-18.8	0	0	0	114
209	E	21.9	Very low	27.9	Very low	155 Å²	155	138.5 Å²	138.5	72%	0.724	75%	0.747	S	S	*	*			trans	-147.3	164.9	-139.4	65.2	-158.9	87.1	0	0	117.5
210	N	23.1	Very low	28.3	Very low	136 Å²	136	139 Å²	139	73%	0.727	75%	0.751	S	S	*	*			trans	76.5	123.7	150.7	-78.3	-47.9	0	0	0	124
211	H	22.9	Very low	27.6	Very low	169 Å²	169	139.9 Å²	139.9	78%	0.782	75%	0.749	S	S	*	*				88.1	108.2	128.1	-149	-111	0	0	0	124.2
212	V	26.8	Very low	27.8	Very low	103 Å²	103	136.7 Å²	136.7	62%	0.624	75%	0.746	S	S	*	*			trans	79.8	146.8	134.4	156.2	0	0	0	0	123.6
213	E	24	Very low	28.7	Very low	178 Å²	178	133.6 Å²	133.6	83%	0.832	75%	0.747	S	S	*	*			trans	62.5	137.1	169.3	-122.7	58.3	-104.6	0	0	118.6
214	G	26.7	Very low	28.5	Very low	58 Å²	58	137.4 Å²	137.4	60%	0.598	76%	0.756	S	S	*	*			cis	174.2	151.4	-10.8	0	0	0	0	0	114
215	T	30.1	Very low	29.1	Very low	136 Å²	136	138.8 Å²	138.8	83%	0.834	77%	0.765	S	S	*	*			trans	66.6	103.2	164.3	-50.8	0	0	0	0	120.4
216	A	27.6	Very low	29.6	Very low	99 Å²	99	138.7 Å²	138.7	82%	0.818	77%	0.769	S	S	*	*			trans	-144.1	101.9	139.8	0	0	0	0	0	110.3
217	R	30.4	Very low	30.1	Very low	229 Å²	229	137.1 Å²	137.1	86%	0.864	77%	0.772	S	S	*	*			trans	30.7	106.6	165.5	-68.2	178	170.8	168.6	-4.2	117.4
218	L	31.2	Very low	30.7	Very low	158 Å²	158	141.4 Å²	141.4	83%	0.827	77%	0.773	S	S	*	*				50.4	128.4	67.6	-54.3	172.1	0	0	0	113.3
219	V	27.8	Very low	30.5	Very low	121 Å²	121	144.6 Å²	144.6	73%	0.733	78%	0.783	S	S	*	*			cis	-145.1	157.8	6.1	103.1	0	0	0	0	111.7	D221	V219-D221 HydrophobicContact CG1-CB 4.41Å
220	T	35.5	Very low	30.8	Very low	144 Å²	144	140.9 Å²	140.9	88%	0.883	79%	0.787	S	S	*	*			trans	-104.6	117.2	166.3	-52.9	0	0	0	0	108.3
221	D	30.1	Very low	31.3	Very low	139 Å²	139	138 Å²	138	74%	0.743	79%	0.788	S	S	*	*			trans	-158.5	172.7	166	-144.3	-27.3	0	0	0	111	V219	V219-D221 HydrophobicContact CG1-CB 4.41Å
222	T	29.5	Very low	31.6	Very low	124 Å²	124	137.1 Å²	137.1	76%	0.761	80%	0.795	S	S	*	*			trans	67.5	85.9	-171.5	61.6	0	0	0	0	115.5
223	A	45.6	Very low	32	Very low	79 Å²	79	140.4 Å²	140.4	65%	0.653	80%	0.804	S	S	*	*			trans	-75.6	-153.6	141.6	0	0	0	0	0	110.2	I225	A223-I225 PolarHBondContact O-N 2.55Å
224	E	32.5	Very low	32.4	Very low	187 Å²	187	138.9 Å²	138.9	87%	0.874	80%	0.8	S	S	*	*			trans	80.7	-27.7	159.8	-50	-160.6	107.1	0	0	121
225	I	38	Very low	32.8	Very low	141 Å²	141	142.6 Å²	142.6	72%	0.723	81%	0.806	S	S	*	*	G	3₁₀ helix	trans	-76.2	-45.4	-170.6	-65.2	-177.4	0	0	0	115	A223 S227	A223-I225 PolarHBondContact O-N 2.55Å; I225-S227 PolarHBondContact O-N 3.17Å
226	L	35.8	Very low	32.8	Very low	170 Å²	170	143.7 Å²	143.7	89%	0.89	80%	0.801	S	S	*	*	G	3₁₀ helix	trans	-95.1	44	-169.4	-70.3	174.1	0	0	0	114.9
227	S	33	Very low	32.7	Very low	114 Å²	114	145 Å²	145	80%	0.797	79%	0.794	S	S	*	*	G	3₁₀ helix	trans	-119.2	16.8	170.8	-69.8	0	0	0	0	113.7	I225	I225-S227 PolarHBondContact O-N 3.17Å
228	R	38.6	Very low	32.6	Very low	219 Å²	219	140.4 Å²	140.4	83%	0.826	79%	0.792	S	S	*	*			trans	-140.9	143	176.7	-66.4	-175.9	175.6	-104.2	-3.9	110.6
229	L	30.3	Very low	32.8	Very low	177 Å²	177	140.8 Å²	140.8	93%	0.927	79%	0.794	S	S	*	*			trans	63.8	120.5	-165	-72	67.7	0	0	0	112.6
230	G	27.5	Very low	32.8	Very low	78 Å²	78	137.8 Å²	137.8	80%	0.804	79%	0.788	S	S	*	*			cis	112.3	64.9	-6.4	0	0	0	0	0	114.9
231	G	32.8	Very low	32.8	Very low	74 Å²	74	140 Å²	140	76%	0.763	79%	0.788	S	S	*	*			trans	87.1	129.3	159.1	0	0	0	0	0	117
232	V	29.2	Very low	32.9	Very low	152 Å²	152	140.2 Å²	140.2	92%	0.921	79%	0.794	S	S	*	*			trans	179	149.2	132.5	147.7	0	0	0	0	107.3
233	E	34.9	Very low	33.1	Very low	172 Å²	172	141 Å²	141	80%	0.804	79%	0.791	S	S	*	*			trans	-72.2	158.9	-179.8	-65.8	156.9	80.2	0	0	112.7
234	L	32.6	Very low	32.7	Very low	146 Å²	146	141.5 Å²	141.5	76%	0.764	79%	0.787	S	S	*	*				163	130.6	101	-167.8	61.9	0	0	0	113.7
235	L	35.4	Very low	32.8	Very low	136 Å²	136	137 Å²	137	71%	0.712	78%	0.777	S	S	*	*			trans	59	110.7	157.5	-72.2	169	0	0	0	123
236	Q	30.3	Very low	32.7	Very low	158 Å²	158	135.1 Å²	135.1	74%	0.738	77%	0.771	S	S	*	*				103.1	133.2	110.8	-163.5	160.5	12.3	0	0	122.3
237	D	25.2	Very low	32.9	Very low	126 Å²	126	135.1 Å²	135.1	67%	0.674	77%	0.767	S	S	*	*			trans	22	128.6	162.2	-64	-54.4	0	0	0	120.1
238	T	28.2	Very low	33.1	Very low	133 Å²	133	136.5 Å²	136.5	82%	0.816	76%	0.764	S	S	*	*				-160.2	140.9	66.4	-61	0	0	0	0	113.7
239	L	36.5	Very low	32.9	Very low	167 Å²	167	131.1 Å²	131.1	87%	0.874	76%	0.758	S	S	*	*			trans	-15.9	126.1	168.8	-176.2	65.9	0	0	0	119.4
240	G	28.3	Very low	33.2	Very low	58 Å²	58	129 Å²	129	60%	0.598	76%	0.755	S	S	*	*			trans	-171.3	101.3	167.2	0	0	0	0	0	116.7
241	H	33.8	Very low	33.5	Very low	190 Å²	190	130.5 Å²	130.5	88%	0.88	74%	0.744	S	S	*	*			trans	36.2	103	156.4	-50	-72.4	0	0	0	120.8
242	V	32.1	Very low	34	Very low	144 Å²	144	134.4 Å²	134.4	87%	0.873	75%	0.746	S	S	*	*			trans	-102.3	109.8	158.8	179.7	0	0	0	0	110.2
243	M	34.4	Very low	34.5	Very low	140 Å²	140	133.8 Å²	133.8	69%	0.69	74%	0.738	S	S	*	*			trans	-95.8	133.5	162.7	-84.5	-171.2	61	0	0	110.1	S245	M243-S245 PolarHBondContact O-N 2.97Å
244	P	36.7	Very low	35.1	Very low	89 Å²	89	133 Å²	133	58%	0.578	74%	0.738	S	S	*	*			trans	-71.9	76	167.7	-16.1	31.7	0	0	0	111.4	V246	P244-V246 PolarHBondContact O-N 2.75Å
245	S	35	Very low	35.5	Very low	94 Å²	94	131.9 Å²	131.9	66%	0.657	74%	0.737	S	S	*	*			trans	-59.6	132	168.4	-69.3	0	0	0	0	109.9	M243 Q247	M243-S245 PolarHBondContact O-N 2.97Å; S245-Q247 PolarHBondContact O-N 2.8Å
246	V	37	Very low	35.4	Very low	101 Å²	101	130.5 Å²	130.5	61%	0.612	74%	0.736	S	S	*	*			trans	-72.1	92.5	-179.5	-177.6	0	0	0	0	109.5	P244 L248	P244-V246 PolarHBondContact O-N 2.75Å; V246-L248 WeakPolarHBondContact O-CD1 3.4Å; V246-L248 PolarHBondContact O-N 2.66Å
247	Q	38.7	Very low	36.1	Very low	169 Å²	169	132.8 Å²	132.8	79%	0.79	74%	0.744	S	S	*	*			trans	-67.9	113.8	175.3	-164.1	78	11.8	0	0	109.6	S245 P249	S245-Q247 PolarHBondContact O-N 2.8Å; Q247-P249 WeakPolarHBondContact O-CD 3.35Å
248	L	37.9	Very low	36.5	Very low	143 Å²	143	132.6 Å²	132.6	75%	0.749	75%	0.747	S	S	*	*			trans	-70.5	129.2	176.8	-88.4	70.7	0	0	0	110.9	V246	V246-L248 WeakPolarHBondContact O-CD1 3.4Å; V246-L248 PolarHBondContact O-N 2.66Å
249	P	33.5	Very low	36.9	Very low	106 Å²	106	131.7 Å²	131.7	69%	0.688	74%	0.743	S	S	*	*			trans	-67.7	133.8	167.8	-20	33.5	0	0	0	111.3	Q247 N251	Q247-P249 WeakPolarHBondContact O-CD 3.35Å; P249-N251 PolarHBondContact O-N 3Å
250	P	36.6	Very low	37	Very low	134 Å²	134	128.5 Å²	128.5	87%	0.87	73%	0.731	S	S	*	*	S	Bend	trans	-82.7	47.6	-173.1	34.6	-37.8	0	0	0	113.9
251	N	33.9	Very low	37.1	Very low	109 Å²	109	131 Å²	131	58%	0.583	74%	0.736	S	S	*	*			trans	-154.5	114.7	164.6	-149.4	-60.3	0	0	0	113.6	P249 N253	P249-N251 PolarHBondContact O-N 3Å; N251-N253 PolarHBondContact OD1-N 2.75Å
252	I	43.4	Very low	37.4	Very low	155 Å²	155	129.6 Å²	129.6	80%	0.795	73%	0.734	S	S	*	*			trans	-109.1	9.3	-175.1	52.1	174.2	0	0	0	114.2
253	N	39.7	Very low	37.7	Very low	139 Å²	139	129.1 Å²	129.1	74%	0.743	73%	0.727	S	S	*	*	S	Bend	trans	-112.6	-4.2	-168.2	-77.7	-60.2	0	0	0	116.7	N251	N251-N253 PolarHBondContact OD1-N 2.75Å
254	L	47	Very low	37.8	Very low	156 Å²	156	126.2 Å²	126.2	82%	0.817	72%	0.717	S	S	*	*			trans	-128.3	22.4	-170.6	-68.8	175.9	0	0	0	116
255	V	41.7	Very low	38.2	Very low	122 Å²	122	128.6 Å²	128.6	74%	0.739	73%	0.73	S	S	*	*	S	Bend	trans	-89.6	132.1	171.4	-177	0	0	0	0	110.5	K257	V255-K257 PolarHBondContact O-N 3.43Å
256	P	34.3	Very low	39	Very low	107 Å²	107	129.2 Å²	129.2	70%	0.695	72%	0.721	S	S	*	*			trans	-58.3	133.6	177.8	-26.9	35.7	0	0	0	113.5	V258	P256-V258 PolarHBondContact O-N 2.96Å
257	K	43.8	Very low	40.1	Very low	206 Å²	206	127.6 Å²	127.6	90%	0.896	70%	0.704	S	S	*	*			trans	-75.4	84.6	-178.7	-70.6	173.2	179.8	170.2	0	111.6	V255 P259	V255-K257 PolarHBondContact O-N 3.43Å; K257-P259 WeakPolarHBondContact O-CD 3.25Å
258	V	34	Very low	41.4	Very low	123 Å²	123	122.4 Å²	122.4	75%	0.745	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-69.2	121.5	166.6	-178.9	0	0	0	0	108.9	P256 V260	P256-V258 PolarHBondContact O-N 2.96Å; V258-V260 PolarHBondContact O-N 2.99Å
259	P	37.3	Very low	43	Very low	114 Å²	114	119.3 Å²	119.3	74%	0.74	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-72.3	123	-179.3	28.3	-33.5	0	0	0	111.1	K257 P261	K257-P259 WeakPolarHBondContact O-CD 3.25Å; P259-P261 WeakPolarHBondContact O-CD 3.37Å
260	V	37.8	Very low	44.6	Very low	100 Å²	100	116.6 Å²	116.6	61%	0.606	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-75.7	130.1	177.9	-178.7	0	0	0	0	110.5	V258 L262	V258-V260 PolarHBondContact O-N 2.99Å; V260-L262 VanDerWaalsContact C-N 3.25Å; V260-L262 HydrophobicContact CB-CD2 4.3Å; V260-L262 HydrophobicContact CB-CG 4.07Å; V260-L262 HydrophobicContact CG1-CD2 3.67Å; V260-L262 HydrophobicContact CG1-CG 3.86Å; V260-L262 PolarHBondContact O-N 3.49Å
261	P	30.3	Very low	46.3	Very low	109 Å²	109	110.3 Å²	110.3	71%	0.708	62%	0.618	S	S	*	*			trans	-68.4	77.4	167.6	-21.4	35.4	0	0	0	112.3	P259 N263	P259-P261 WeakPolarHBondContact O-CD 3.37Å; P261-N263 VanDerWaalsContact C-N 3.27Å; P261-N263 PolarHBondContact O-N 3.01Å
262	L	40.8	Very low	48.3	Very low	162 Å²	162	107.4 Å²	107.4	85%	0.848	60%	0.602	S	S	*	*			trans	-75.9	68	179.8	-68.5	174.3	0	0	0	112.2	V260	V260-L262 VanDerWaalsContact C-N 3.25Å; V260-L262 HydrophobicContact CB-CD2 4.3Å; V260-L262 HydrophobicContact CB-CG 4.07Å; V260-L262 HydrophobicContact CG1-CD2 3.67Å; V260-L262 HydrophobicContact CG1-CG 3.86Å; V260-L262 PolarHBondContact O-N 3.49Å
263	N	38.7	Very low	49.8	Very low	134 Å²	134	105.6 Å²	105.6	72%	0.717	60%	0.599	S	S	*	*			trans	-139	25.3	174.4	71.7	-3	0	0	0	115.8	P261 T265	P261-N263 VanDerWaalsContact C-N 3.27Å; P261-N263 PolarHBondContact O-N 3.01Å; N263-T265 PolarHBondContact O-N 2.91Å
264	T	36.4	Very low	51.8	Low	79 Å²	79	100.7 Å²	100.7	49%	0.485	57%	0.572	S	S	.	*			trans	-80	94.9	166.2	176.7	0	0	0	0	111.7	K266 Y267	T264-K266 PolarHBondContact O-N 2.96Å; T264-Y267 PolarHBondContact O-N 3.38Å
265	T	44.2	Very low	53.3	Low	138 Å²	138	96.7 Å²	96.7	85%	0.847	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	17	171.2	36.8	0	0	0	0	114.1	N263	N263-T265 PolarHBondContact O-N 2.91Å
266	K	52.6	Low	55.2	Low	107 Å²	107	93 Å²	93	47%	0.465	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	5.9	174.9	-77.5	-170.5	165.6	-167.5	0	113.9	T264 N268 E304 H305 I308	T264-K266 PolarHBondContact O-N 2.96Å; K266-N268 PolarHBondContact O-N 2.74Å; K266-E304 IonicContact NZ-OE2 2.69Å; K266-E304 PolarHBondContact NZ-OE2 2.95Å; K266-H305 PolarHBondContact O-CE1 2.62Å; K266-H305 PolarHBondContact O-ND1 3.18Å; K266-I308 HydrophobicContact CB-CD1 4.38Å
267	Y	59.6	Low	57.5	Low	68 Å²	68	88 Å²	88	27%	0.267	51%	0.507	S	S	.	.			trans	-71.8	114.9	176.2	-168.6	-96.4	0	0	0	111.5	T264 D272 T312 K316	T264-Y267 PolarHBondContact O-N 3.38Å; Y267-D272 WeakPolarHBondContact CE1-OD2 3.3Å; Y267-D272 PolarHBondContact OH-OD1 3.24Å; Y267-D272 PolarHBondContact OH-OD2 3.01Å; Y267-T312 HydrophobicContact CD2-CG2 4.37Å; Y267-T312 HydrophobicContact CE2-CG2 3.7Å; Y267-K316 PolarHBondContact OH-NZ 3.35Å
268	N	66.9	Low	59.4	Low	60 Å²	60	81.2 Å²	81.2	32%	0.321	48%	0.48	S	S	.	.			trans	-93.6	101.9	173.8	-175.7	-5.5	0	0	0	109.9	K266 A270 L271	K266-N268 PolarHBondContact O-N 2.74Å; N268-A270 PolarHBondContact O-N 3.05Å; N268-A270 VanDerWaalsContact O-N 3.1Å; N268-A270 WeakPolarHBondContact OD1-CB 3.49Å; N268-A270 PolarHBondContact OD1-N 2.84Å; N268-A270 VanDerWaalsContact OD1-N 3.13Å; N268-L271 HydrophobicContact CB-CD1 4.26Å; N268-L271 WeakPolarHBondContact O-CB 3.48Å; N268-L271 PolarHBondContact O-N 2.76Å; N268-L271 VanDerWaalsContact O-N 3.12Å
269	S	69.7	Low	61.7	Low	77 Å²	77	79.6 Å²	79.6	54%	0.538	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-65.3	-12.8	-176	-151.9	0	0	0	0	114.4	L271 D272	S269-L271 PolarHBondContact O-N 3.26Å; S269-D272 PolarHBondContact O-N 2.67Å
270	A	67.4	Low	64	Low	49 Å²	49	74.7 Å²	74.7	41%	0.405	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-63.3	-28.1	172.6	0	0	0	0	0	112.4	N268 D272 T273	N268-A270 PolarHBondContact O-N 3.05Å; N268-A270 VanDerWaalsContact O-N 3.1Å; N268-A270 WeakPolarHBondContact OD1-CB 3.49Å; N268-A270 PolarHBondContact OD1-N 2.84Å; N268-A270 VanDerWaalsContact OD1-N 3.13Å; A270-D272 PolarHBondContact O-N 3.28Å; A270-T273 PolarHBondContact O-N 2.76Å; A270-T273 PolarHBondContact O-OG1 3.05Å
271	L	71.9	Confident	66.2	Low	2 Å²	2	70.6 Å²	70.6	1%	0.01	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-62	-28	177.7	-72.8	166	0	0	0	113	N268 S269 T273 N274 M277 H301 H305 W309	N268-L271 HydrophobicContact CB-CD1 4.26Å; N268-L271 WeakPolarHBondContact O-CB 3.48Å; N268-L271 PolarHBondContact O-N 2.76Å; N268-L271 VanDerWaalsContact O-N 3.12Å; S269-L271 PolarHBondContact O-N 3.26Å; L271-T273 PolarHBondContact O-N 3.33Å; L271-N274 PolarHBondContact O-N 3.1Å; L271-M277 HydrophobicContact CD2-CE 3.92Å; L271-M277 HydrophobicContact CD2-CG 4.14Å; L271-M277 HydrophobicContact CD2-SD 4.1Å; L271-H301 HydrophobicContact CD2-CB 4.11Å; L271-H301 WeakPolarHBondContact CD2-CD2 3.32Å; L271-H305 HydrophobicContact CD1-CB 3.9Å; L271-W309 HydrophobicContact CB-CB 4.39Å; L271-W309 HydrophobicContact CB-CD2 4.5Å; L271-W309 HydrophobicContact CB-CG 3.86Å; L271-W309 HydrophobicContact CD1-CB 3.95Å; L271-W309 HydrophobicContact CD1-CG 4.33Å
272	D	75.9	Confident	68.7	Low	48 Å²	48	70.7 Å²	70.7	26%	0.257	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-67.6	-13.8	175.7	-69.6	-38.1	0	0	0	113.7	Y267 S269 A270 W309 Q313 K316	Y267-D272 WeakPolarHBondContact CE1-OD2 3.3Å; Y267-D272 PolarHBondContact OH-OD1 3.24Å; Y267-D272 PolarHBondContact OH-OD2 3.01Å; S269-D272 PolarHBondContact O-N 2.67Å; A270-D272 PolarHBondContact O-N 3.28Å; D272-W309 PolarHBondContact OD1-NE1 2.72Å; D272-Q313 PolarHBondContact OD1-NE2 3.26Å; D272-K316 IonicContact OD1-NZ 3.82Å; D272-K316 IonicContact OD2-NZ 3.55Å
273	T	76.7	Confident	70.5	Confident	118 Å²	118	69.3 Å²	69.3	72%	0.724	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-102.4	-2.9	176.9	64.7	0	0	0	0	113.3	A270 L271 A275	A270-T273 PolarHBondContact O-N 2.76Å; A270-T273 PolarHBondContact O-OG1 3.05Å; L271-T273 PolarHBondContact O-N 3.33Å; T273-A275 PolarHBondContact O-N 2.92Å
274	N	80.5	Confident	72.5	Confident	35 Å²	35	63.2 Å²	63.2	19%	0.187	36%	0.358	C	S	.	.			trans	-86.8	111	-172.6	-168.9	-29.9	0	0	0	111.9	L271 T276 M277 I278 S299	L271-N274 PolarHBondContact O-N 3.1Å; N274-T276 VanDerWaalsContact C-N 3.27Å; N274-T276 PolarHBondContact O-N 3.24Å; N274-T276 PolarHBondContact OD1-N 3.14Å; N274-T276 PolarHBondContact OD1-OG1 2.96Å; N274-M277 HydrophobicContact CB-CB 4.2Å; N274-M277 HydrophobicContact CB-CG 3.79Å; N274-M277 WeakPolarHBondContact O-CB 3.42Å; N274-M277 PolarHBondContact O-N 3.43Å; N274-M277 VanDerWaalsContact O-N 3.15Å; N274-I278 WeakPolarHBondContact O-CG1 3.29Å; N274-I278 PolarHBondContact O-N 2.87Å; N274-I278 VanDerWaalsContact O-N 3.09Å; N274-S299 WeakPolarHBondContact ND2-CB 3.49Å
275	A	79.9	Confident	74.7	Confident	73 Å²	73	60 Å²	60	60%	0.603	34%	0.339	S	S	*	.	H	α-helix	trans	-58.6	-29.5	-178.3	0	0	0	0	0	114.6	T273 N279	T273-A275 PolarHBondContact O-N 2.92Å; A275-N279 WeakPolarHBondContact O-CB 3.42Å; A275-N279 PolarHBondContact O-N 2.77Å
276	T	80.8	Confident	76.6	Confident	45 Å²	45	55.1 Å²	55.1	28%	0.276	31%	0.305	S	S	.	.	H	α-helix	trans	-73.3	-37.4	178.3	65.8	0	0	0	0	111.7	N274 S280	N274-T276 VanDerWaalsContact C-N 3.27Å; N274-T276 PolarHBondContact O-N 3.24Å; N274-T276 PolarHBondContact OD1-N 3.14Å; N274-T276 PolarHBondContact OD1-OG1 2.96Å; T276-S280 VanDerWaalsContact O-CB 3.32Å; T276-S280 WeakPolarHBondContact O-CB 3.37Å; T276-S280 PolarHBondContact O-N 3.13Å
277	M	82.8	Confident	78.2	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.1	-47.8	174.6	-61.4	-75	-58.9	0	0	110.9	L271 N274 S280 F281 L295 I306 W309 F310	L271-M277 HydrophobicContact CD2-CE 3.92Å; L271-M277 HydrophobicContact CD2-CG 4.14Å; L271-M277 HydrophobicContact CD2-SD 4.1Å; N274-M277 HydrophobicContact CB-CB 4.2Å; N274-M277 HydrophobicContact CB-CG 3.79Å; N274-M277 WeakPolarHBondContact O-CB 3.42Å; N274-M277 PolarHBondContact O-N 3.43Å; N274-M277 VanDerWaalsContact O-N 3.15Å; M277-S280 PolarHBondContact O-N 3.45Å; M277-F281 WeakPolarHBondContact O-CB 3.49Å; M277-F281 PolarHBondContact O-N 3.04Å; M277-L295 HydrophobicContact SD-CD2 4.15Å; M277-I306 HydrophobicContact CE-CB 4.22Å; M277-I306 HydrophobicContact CE-CG1 4.17Å; M277-I306 HydrophobicContact CE-CG2 3.8Å; M277-I306 HydrophobicContact SD-CD1 4.49Å; M277-I306 HydrophobicContact SD-CG1 4.08Å; M277-I306 HydrophobicContact SD-CG2 4.04Å; M277-W309 HydrophobicContact CB-CE3 4.3Å; M277-W309 HydrophobicContact CB-CH2 3.75Å; M277-W309 HydrophobicContact CB-CZ2 4.14Å; M277-W309 HydrophobicContact CB-CZ3 3.84Å; M277-W309 HydrophobicContact CE-CB 4.17Å; M277-W309 HydrophobicContact CE-CD2 3.61Å; M277-W309 HydrophobicContact CE-CE3 3.26Å; M277-W309 HydrophobicContact CE-CG 4.04Å; M277-W309 HydrophobicContact CE-CZ3 3.84Å; M277-F310 HydrophobicContact CE-CD2 3.95Å; M277-F310 HydrophobicContact CE-CE2 3.7Å; M277-F310 HydrophobicContact SD-CE2 4.33Å
278	I	83.2	Confident	79.4	Confident	65 Å²	65	49.9 Å²	49.9	33%	0.333	29%	0.289	S	S	.	.	H	α-helix	trans	-64.4	-45.8	178.9	-61.6	162.4	0	0	0	111	N274 S280 F281 N282 W309	N274-I278 WeakPolarHBondContact O-CG1 3.29Å; N274-I278 PolarHBondContact O-N 2.87Å; N274-I278 VanDerWaalsContact O-N 3.09Å; I278-S280 PolarHBondContact O-N 2.84Å; I278-F281 PolarHBondContact O-N 3.33Å; I278-N282 WeakPolarHBondContact O-CB 3.46Å; I278-N282 VanDerWaalsContact O-CG 3.23Å; I278-N282 PolarHBondContact O-N 3.37Å; I278-W309 HydrophobicContact CG1-CH2 4.38Å; I278-W309 HydrophobicContact CG1-CZ2 4.3Å
279	N	83.4	Confident	80.2	Confident	89 Å²	89	52.8 Å²	52.8	48%	0.476	30%	0.301	S	S	.	.	H	α-helix	trans	-63.7	-41.2	178.1	-169.7	-13.2	0	0	0	111.5	A275 N282 K283	A275-N279 WeakPolarHBondContact O-CB 3.42Å; A275-N279 PolarHBondContact O-N 2.77Å; N279-N282 PolarHBondContact O-N 3.38Å; N279-K283 WeakPolarHBondContact O-CG 3.44Å; N279-K283 PolarHBondContact O-N 2.59Å; N279-K283 VanDerWaalsContact OD1-CE 3.26Å; N279-K283 WeakPolarHBondContact OD1-CE 3.39Å
280	S	84.5	Confident	80.9	Confident	10 Å²	10	52.6 Å²	52.6	7%	0.07	30%	0.304	C	S	.	.	H	α-helix	trans	-65.2	-41.9	174	176.2	0	0	0	0	112.6	T276 M277 I278 N282 K283 F284	T276-S280 VanDerWaalsContact O-CB 3.32Å; T276-S280 WeakPolarHBondContact O-CB 3.37Å; T276-S280 PolarHBondContact O-N 3.13Å; M277-S280 PolarHBondContact O-N 3.45Å; I278-S280 PolarHBondContact O-N 2.84Å; S280-N282 VanDerWaalsContact C-N 3.35Å; S280-N282 PolarHBondContact O-N 3Å; S280-K283 WeakPolarHBondContact O-CB 3.34Å; S280-K283 PolarHBondContact O-N 3.46Å; S280-F284 PolarHBondContact O-N 3.08Å
281	F	83.9	Confident	81.7	Confident	14 Å²	14	53.4 Å²	53.4	6%	0.061	30%	0.3	C	S	.	.	H	α-helix	trans	-60.7	-42.4	174.5	-174.6	-97.1	0	0	0	112.6	M277 I278 K283 F284 P285 W309 F310 Q313 R314 H317 I319	M277-F281 WeakPolarHBondContact O-CB 3.49Å; M277-F281 PolarHBondContact O-N 3.04Å; I278-F281 PolarHBondContact O-N 3.33Å; F281-K283 VanDerWaalsContact C-N 3.29Å; F281-K283 PolarHBondContact O-N 2.76Å; F281-F284 CarbonylContact O-C 3.43Å; F281-F284 PolarHBondContact O-N 3.22Å; F281-P285 HydrophobicContact CD2-CB 4.23Å; F281-P285 HydrophobicContact CE2-CB 3.91Å; F281-P285 HydrophobicContact CZ-CB 4.4Å; F281-W309 HydrophobicContact CB-CH2 4.08Å; F281-W309 HydrophobicContact CB-CZ3 4.03Å; F281-W309 HydrophobicContact CD2-CZ3 4.43Å; F281-W309 HydrophobicContact CG-CZ3 4.47Å; F281-F310 HydrophobicContact CB-CE1 3.96Å; F281-F310 HydrophobicContact CB-CZ 4.45Å; F281-F310 AromaticContact CD2-CD1 3.83Å; F281-F310 HydrophobicContact CD2-CD1 3.83Å; F281-F310 HydrophobicContact CD2-CE1 4.03Å; F281-Q313 HydrophobicContact CD2-CB 3.92Å; F281-Q313 HydrophobicContact CE1-CB 4.37Å; F281-Q313 HydrophobicContact CE2-CB 3.44Å; F281-Q313 VanDerWaalsContact CE2-CB 3.44Å; F281-Q313 HydrophobicContact CZ-CB 3.69Å; F281-R314 HydrophobicContact CE2-CG 4.21Å; F281-H317 AromaticContact CE1-CD2 3.63Å; F281-H317 AromaticContact CE1-NE2 3.94Å; F281-H317 HydrophobicContact CZ-CB 4.34Å; F281-H317 AromaticContact CZ-CD2 3.79Å; F281-I319 HydrophobicContact CE1-CD1 4.3Å; F281-I319 HydrophobicContact CE2-CD1 4.46Å; F281-I319 HydrophobicContact CZ-CD1 3.71Å
282	N	82.4	Confident	82.4	Confident	111 Å²	111	53.7 Å²	53.7	59%	0.594	30%	0.301	S	S	*	.	H	α-helix	trans	-69.5	-23.2	176.6	-68.6	-9.4	0	0	0	113.4	I278 N279 S280	I278-N282 WeakPolarHBondContact O-CB 3.46Å; I278-N282 VanDerWaalsContact O-CG 3.23Å; I278-N282 PolarHBondContact O-N 3.37Å; N279-N282 PolarHBondContact O-N 3.38Å; S280-N282 VanDerWaalsContact C-N 3.35Å; S280-N282 PolarHBondContact O-N 3Å
283	K	80	Confident	82.8	Confident	133 Å²	133	54.9 Å²	54.9	58%	0.578	31%	0.313	S	S	*	.	H	α-helix	trans	-78.5	-49.8	170.5	-75.1	175	-177.8	-59.6	0	111.5	N279 S280 F281	N279-K283 WeakPolarHBondContact O-CG 3.44Å; N279-K283 PolarHBondContact O-N 2.59Å; N279-K283 VanDerWaalsContact OD1-CE 3.26Å; N279-K283 WeakPolarHBondContact OD1-CE 3.39Å; S280-K283 WeakPolarHBondContact O-CB 3.34Å; S280-K283 PolarHBondContact O-N 3.46Å; F281-K283 VanDerWaalsContact C-N 3.29Å; F281-K283 PolarHBondContact O-N 2.76Å
284	F	80.1	Confident	83.4	Confident	7 Å²	7	56.6 Å²	56.6	3%	0.031	31%	0.306	C	S	.	.			trans	-158.7	115.8	-179.2	-156.7	-113	0	0	0	111.5	S280 F281 Y286 W321 V326 A329 R330 M333	S280-F284 PolarHBondContact O-N 3.08Å; F281-F284 CarbonylContact O-C 3.43Å; F281-F284 PolarHBondContact O-N 3.22Å; F284-Y286 WeakPolarHBondContact CD1-O 3.28Å; F284-Y286 VanDerWaalsContact CE1-O 3.31Å; F284-Y286 WeakPolarHBondContact CE1-O 3.42Å; F284-Y286 PolarHBondContact O-N 3.15Å; F284-W321 HydrophobicContact CE2-CH2 4.47Å; F284-W321 AromaticContact CE2-CZ3 3.79Å; F284-W321 HydrophobicContact CE2-CZ3 3.79Å; F284-W321 HydrophobicContact CZ-CZ3 4.13Å; F284-V326 HydrophobicContact CE1-CG1 4Å; F284-V326 HydrophobicContact CZ-CG1 4.1Å; F284-A329 HydrophobicContact CE2-CB 3.79Å; F284-A329 HydrophobicContact CZ-CB 4.11Å; F284-R330 HydrophobicContact CD1-CG 4.29Å; F284-R330 HydrophobicContact CE1-CG 3.46Å; F284-R330 VanDerWaalsContact CE1-CG 3.46Å; F284-R330 HydrophobicContact CE2-CG 4.32Å; F284-R330 HydrophobicContact CZ-CG 3.49Å; F284-R330 VanDerWaalsContact CZ-CG 3.49Å; F284-M333 HydrophobicContact CD2-SD 3.69Å; F284-M333 HydrophobicContact CE2-SD 4.07Å; F284-M333 HydrophobicContact CG-SD 4.45Å
285	P	83	Confident	83.7	Confident	11 Å²	11	54.9 Å²	54.9	7%	0.071	30%	0.297	C	S	.	.	S	Bend	trans	-64.1	-15.1	-178.2	-24.4	33.8	0	0	0	114.9	F281 P287 F310 R314 I319	F281-P285 HydrophobicContact CD2-CB 4.23Å; F281-P285 HydrophobicContact CE2-CB 3.91Å; F281-P285 HydrophobicContact CZ-CB 4.4Å; P285-P287 VanDerWaalsContact C-CD 3.48Å; P285-P287 VanDerWaalsContact O-CD 3.27Å; P285-P287 WeakPolarHBondContact O-CD 3.49Å; P285-F310 WeakPolarHBondContact O-CD1 3.44Å; P285-R314 HydrophobicContact CB-CG 4.13Å; P285-R314 PolarHBondContact O-NE 2.96Å; P285-R314 PolarHBondContact O-NH2 2.8Å; P285-I319 HydrophobicContact CB-CD1 4Å; P285-I319 HydrophobicContact CB-CG2 4.47Å; P285-I319 HydrophobicContact CG-CD1 3.72Å
286	Y	83.4	Confident	84	Confident	36 Å²	36	53.3 Å²	53.3	14%	0.141	28%	0.28	C	S	.	.	S	Bend	trans	-117.4	69.3	-175.1	-67.5	-108.7	0	0	0	112.2	F284 I319 W321 V326 R330	F284-Y286 WeakPolarHBondContact CD1-O 3.28Å; F284-Y286 VanDerWaalsContact CE1-O 3.31Å; F284-Y286 WeakPolarHBondContact CE1-O 3.42Å; F284-Y286 PolarHBondContact O-N 3.15Å; Y286-I319 HydrophobicContact CE2-CG2 3.94Å; Y286-W321 HydrophobicContact CD2-CE3 4.47Å; Y286-W321 HydrophobicContact CE2-CB 3.94Å; Y286-W321 HydrophobicContact CE2-CD2 4.4Å; Y286-W321 HydrophobicContact CE2-CE3 4.37Å; Y286-W321 HydrophobicContact CE2-CG 4.25Å; Y286-W321 WeakPolarHBondContact OH-CB 3.4Å; Y286-W321 PolarHBondContact OH-N 2.74Å; Y286-W321 VanDerWaalsContact OH-N 3.08Å; Y286-W321 PolarHBondContact OH-O 2.64Å; Y286-V326 HydrophobicContact CD1-CB 4.49Å; Y286-V326 HydrophobicContact CD1-CG1 4.17Å; Y286-V326 HydrophobicContact CD1-CG2 3.5Å; Y286-V326 VanDerWaalsContact CD1-CG2 3.5Å; Y286-V326 HydrophobicContact CD2-CG2 3.72Å; Y286-V326 HydrophobicContact CE1-CG2 3.55Å; Y286-V326 HydrophobicContact CE2-CG2 3.81Å; Y286-V326 HydrophobicContact CG-CB 4.48Å; Y286-V326 HydrophobicContact CG-CG1 3.98Å; Y286-V326 HydrophobicContact CG-CG2 3.57Å; Y286-R330 PolarHBondContact O-NH2 2.97Å
287	P	85.5	Confident	84.2	Confident	20 Å²	20	54.9 Å²	54.9	13%	0.13	30%	0.298	C	S	.	.			trans	-54.8	142	-176.4	22.2	-34.5	0	0	0	112.7	P285 E291 L295 F310	P285-P287 VanDerWaalsContact C-CD 3.48Å; P285-P287 VanDerWaalsContact O-CD 3.27Å; P285-P287 WeakPolarHBondContact O-CD 3.49Å; P287-E291 HydrophobicContact CB-CB 3.99Å; P287-L295 HydrophobicContact CB-CD1 4.46Å; P287-F310 VanDerWaalsContact CD-CD1 3.47Å; P287-F310 HydrophobicContact CG-CD1 3.77Å; P287-F310 HydrophobicContact CG-CD2 4.19Å; P287-F310 HydrophobicContact CG-CE1 3.78Å; P287-F310 HydrophobicContact CG-CE2 4.24Å; P287-F310 HydrophobicContact CG-CG 3.97Å; P287-F310 HydrophobicContact CG-CZ 4.04Å
288	T	85.3	Confident	84	Confident	44 Å²	44	57.1 Å²	57.1	27%	0.27	32%	0.317	S	S	.	.			trans	-66.5	166.2	168.7	59.2	0	0	0	0	111.4	A290 E291 L292	T288-A290 PolarHBondContact O-N 3.37Å; T288-E291 VanDerWaalsContact CB-OE2 3.3Å; T288-E291 WeakPolarHBondContact CB-OE2 3.45Å; T288-E291 VanDerWaalsContact CG2-OE2 3.3Å; T288-E291 WeakPolarHBondContact CG2-OE2 3.41Å; T288-E291 PolarHBondContact N-OE2 3.16Å; T288-E291 PolarHBondContact O-N 2.63Å; T288-E291 WeakPolarHBondContact OG1-CG 3.48Å; T288-E291 PolarHBondContact OG1-N 3.11Å; T288-E291 VanDerWaalsContact OG1-N 3.11Å; T288-E291 PolarHBondContact OG1-OE2 2.77Å; T288-L292 WeakPolarHBondContact O-CB 3.44Å; T288-L292 PolarHBondContact O-N 3.36Å
289	Q	82.9	Confident	83.7	Confident	122 Å²	122	54.6 Å²	54.6	57%	0.57	30%	0.304	S	S	*	.	H	α-helix	trans	-61.2	-29.9	173.1	-165.7	63.5	27	0	0	112.4	S293 E303	Q289-S293 WeakPolarHBondContact O-CB 3.43Å; Q289-S293 PolarHBondContact O-N 2.86Å; Q289-E303 PolarHBondContact NE2-OE1 3.34Å; Q289-E303 PolarHBondContact NE2-OE2 3.06Å
290	A	84.8	Confident	83.3	Confident	73 Å²	73	59.4 Å²	59.4	60%	0.603	32%	0.321	S	S	*	.	H	α-helix	trans	-70.5	-47.9	176.1	0	0	0	0	0	111.9	T288 L292 S293 W294	T288-A290 PolarHBondContact O-N 3.37Å; A290-L292 VanDerWaalsContact C-N 3.32Å; A290-L292 PolarHBondContact O-N 2.81Å; A290-S293 PolarHBondContact O-N 3.05Å; A290-W294 PolarHBondContact O-N 3.39Å
291	E	84.9	Confident	83	Confident	65 Å²	65	61 Å²	61	30%	0.304	33%	0.327	S	S	.	.	H	α-helix	trans	-63.4	-38.7	174.4	-69.7	162.4	114.9	0	0	111.6	P287 T288 W294 L295	P287-E291 HydrophobicContact CB-CB 3.99Å; T288-E291 VanDerWaalsContact CB-OE2 3.3Å; T288-E291 WeakPolarHBondContact CB-OE2 3.45Å; T288-E291 VanDerWaalsContact CG2-OE2 3.3Å; T288-E291 WeakPolarHBondContact CG2-OE2 3.41Å; T288-E291 PolarHBondContact N-OE2 3.16Å; T288-E291 PolarHBondContact O-N 2.63Å; T288-E291 WeakPolarHBondContact OG1-CG 3.48Å; T288-E291 PolarHBondContact OG1-N 3.11Å; T288-E291 VanDerWaalsContact OG1-N 3.11Å; T288-E291 PolarHBondContact OG1-OE2 2.77Å; E291-W294 PolarHBondContact O-N 3.33Å; E291-L295 WeakPolarHBondContact O-CB 3.33Å; E291-L295 WeakPolarHBondContact O-CG 3.37Å; E291-L295 PolarHBondContact O-N 3.04Å
292	L	86.7	Confident	83	Confident	9 Å²	9	63.8 Å²	63.8	5%	0.047	35%	0.347	C	S	.	.	H	α-helix	trans	-63.9	-39.6	176.5	178.7	57.4	0	0	0	112.2	T288 A290 T296 E303 I306 R307	T288-L292 WeakPolarHBondContact O-CB 3.44Å; T288-L292 PolarHBondContact O-N 3.36Å; A290-L292 VanDerWaalsContact C-N 3.32Å; A290-L292 PolarHBondContact O-N 2.81Å; L292-T296 WeakPolarHBondContact O-CB 3.2Å; L292-T296 PolarHBondContact O-N 3.34Å; L292-T296 PolarHBondContact O-OG1 2.88Å; L292-E303 HydrophobicContact CD1-CG 3.73Å; L292-E303 HydrophobicContact CD2-CG 3.79Å; L292-E303 HydrophobicContact CG-CG 3.51Å; L292-I306 HydrophobicContact CD1-CB 3.98Å; L292-I306 HydrophobicContact CD1-CG2 3.43Å; L292-I306 VanDerWaalsContact CD1-CG2 3.43Å; L292-R307 HydrophobicContact CD1-CG 4.01Å; L292-R307 HydrophobicContact CD2-CG 3.64Å; L292-R307 HydrophobicContact CG-CG 4.48Å
293	S	85.1	Confident	83	Confident	72 Å²	72	61 Å²	61	50%	0.503	33%	0.33	S	S	.	.	H	α-helix	trans	-65.8	-44.6	171.7	-175.7	0	0	0	0	111.8	Q289 A290 L295 T296 A297	Q289-S293 WeakPolarHBondContact O-CB 3.43Å; Q289-S293 PolarHBondContact O-N 2.86Å; A290-S293 PolarHBondContact O-N 3.05Å; S293-L295 PolarHBondContact O-N 2.9Å; S293-T296 WeakPolarHBondContact O-CB 3.25Å; S293-T296 PolarHBondContact O-N 3.38Å; S293-A297 PolarHBondContact O-N 3.05Å
294	W	88.8	Confident	83.2	Confident	154 Å²	154	58.9 Å²	58.9	58%	0.583	32%	0.323	S	S	*	.	H	α-helix	trans	-61.6	-43.4	175.3	-179.4	87.7	0	0	0	112.4	A290 E291 T296 A297 A298	A290-W294 PolarHBondContact O-N 3.39Å; E291-W294 PolarHBondContact O-N 3.33Å; W294-T296 VanDerWaalsContact C-N 3.31Å; W294-T296 PolarHBondContact O-N 3.44Å; W294-A297 PolarHBondContact O-N 3.37Å; W294-A298 HydrophobicContact CD2-CB 4.41Å; W294-A298 HydrophobicContact CE3-CB 4.37Å; W294-A298 HydrophobicContact CH2-CB 4.2Å; W294-A298 HydrophobicContact CZ2-CB 4.23Å; W294-A298 HydrophobicContact CZ3-CB 4.27Å; W294-A298 VanDerWaalsContact O-CB 3.27Å; W294-A298 WeakPolarHBondContact O-CB 3.4Å; W294-A298 PolarHBondContact O-N 3.41Å
295	L	85.9	Confident	83.3	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63	-36.4	174.5	-75.3	165	0	0	0	112.1	M277 P287 E291 S293 A298 S299 I306 F310	M277-L295 HydrophobicContact SD-CD2 4.15Å; P287-L295 HydrophobicContact CB-CD1 4.46Å; E291-L295 WeakPolarHBondContact O-CB 3.33Å; E291-L295 WeakPolarHBondContact O-CG 3.37Å; E291-L295 PolarHBondContact O-N 3.04Å; S293-L295 PolarHBondContact O-N 2.9Å; L295-A298 PolarHBondContact O-N 3.49Å; L295-S299 WeakPolarHBondContact O-CB 3.48Å; L295-S299 PolarHBondContact O-N 3.09Å; L295-S299 PolarHBondContact O-OG 2.95Å; L295-I306 HydrophobicContact CB-CD1 4.25Å; L295-I306 HydrophobicContact CB-CG2 4.28Å; L295-I306 HydrophobicContact CD1-CG2 4.32Å; L295-F310 HydrophobicContact CD1-CE2 3.64Å; L295-F310 HydrophobicContact CD1-CZ 3.8Å
296	T	87.2	Confident	83.4	Confident	39 Å²	39	60.2 Å²	60.2	24%	0.239	33%	0.328	C	S	.	.	H	α-helix	trans	-61.6	-46.9	174.3	-60.1	0	0	0	0	110.5	L292 S293 W294 K300	L292-T296 WeakPolarHBondContact O-CB 3.2Å; L292-T296 PolarHBondContact O-N 3.34Å; L292-T296 PolarHBondContact O-OG1 2.88Å; S293-T296 WeakPolarHBondContact O-CB 3.25Å; S293-T296 PolarHBondContact O-N 3.38Å; W294-T296 VanDerWaalsContact C-N 3.31Å; W294-T296 PolarHBondContact O-N 3.44Å; T296-K300 WeakPolarHBondContact O-CA 3.47Å; T296-K300 PolarHBondContact O-N 3.36Å; T296-K300 VanDerWaalsContact O-N 3.1Å
297	A	84	Confident	83.5	Confident	78 Å²	78	64 Å²	64	65%	0.645	34%	0.342	S	S	*	.	H	α-helix	trans	-66.4	-44.2	175.6	0	0	0	0	0	113.1	S293 W294	S293-A297 PolarHBondContact O-N 3.05Å; W294-A297 PolarHBondContact O-N 3.37Å
298	A	78.2	Confident	83.6	Confident	48 Å²	48	65.1 Å²	65.1	40%	0.397	35%	0.346	S	S	.	.	H	α-helix	trans	-74.1	-33.1	-175.5	0	0	0	0	0	113.6	W294 L295	W294-A298 HydrophobicContact CD2-CB 4.41Å; W294-A298 HydrophobicContact CE3-CB 4.37Å; W294-A298 HydrophobicContact CH2-CB 4.2Å; W294-A298 HydrophobicContact CZ2-CB 4.23Å; W294-A298 HydrophobicContact CZ3-CB 4.27Å; W294-A298 VanDerWaalsContact O-CB 3.27Å; W294-A298 WeakPolarHBondContact O-CB 3.4Å; W294-A298 PolarHBondContact O-N 3.41Å; L295-A298 PolarHBondContact O-N 3.49Å
299	S	77.3	Confident	83.7	Confident	11 Å²	11	63.3 Å²	63.3	8%	0.077	33%	0.334	C	S	.	.	H	α-helix	trans	-95.3	-15.1	-178.9	74.1	0	0	0	0	114.2	N274 L295 H301 I306	N274-S299 WeakPolarHBondContact ND2-CB 3.49Å; L295-S299 WeakPolarHBondContact O-CB 3.48Å; L295-S299 PolarHBondContact O-N 3.09Å; L295-S299 PolarHBondContact O-OG 2.95Å; S299-H301 PolarHBondContact O-CD2 3.15Å; S299-H301 VanDerWaalsContact O-CD2 3.27Å; S299-H301 PolarHBondContact O-N 3.03Å; S299-H301 PolarHBondContact OG-N 3.11Å; S299-I306 WeakPolarHBondContact OG-CD1 3.41Å
300	K	76	Confident	83.9	Confident	190 Å²	190	57.5 Å²	57.5	83%	0.826	31%	0.307	S	S	*	.			trans	58.3	17.6	-173.4	-53.5	-177.2	-179.6	-179.1	0	114.7	T296	T296-K300 WeakPolarHBondContact O-CA 3.47Å; T296-K300 PolarHBondContact O-N 3.36Å; T296-K300 VanDerWaalsContact O-N 3.1Å
301	H	77.7	Confident	83.9	Confident	43 Å²	43	56 Å²	56	20%	0.199	30%	0.295	C	S	.	.	S	Bend	trans	-99.6	148.7	174.9	-64.7	-59.9	0	0	0	111.2	L271 S299 I306	L271-H301 HydrophobicContact CD2-CB 4.11Å; L271-H301 WeakPolarHBondContact CD2-CD2 3.32Å; S299-H301 PolarHBondContact O-CD2 3.15Å; S299-H301 VanDerWaalsContact O-CD2 3.27Å; S299-H301 PolarHBondContact O-N 3.03Å; S299-H301 PolarHBondContact OG-N 3.11Å; H301-I306 HydrophobicContact CB-CD1 4.5Å; H301-I306 HydrophobicContact CB-CG1 4.33Å
302	P	83	Confident	83.8	Confident	74 Å²	74	54.6 Å²	54.6	48%	0.481	29%	0.291	S	S	.	.			trans	-63	142.9	178.3	-18.6	30	0	0	0	112	E304 H305 I306	P302-E304 PolarHBondContact O-N 3.24Å; P302-H305 PolarHBondContact O-N 2.77Å; P302-I306 PolarHBondContact O-N 3.43Å
303	E	83.6	Confident	83.6	Confident	52 Å²	52	55.1 Å²	55.1	24%	0.243	29%	0.293	C	S	.	.	H	α-helix	trans	-51.3	-35.4	-177.6	-157	-161.6	100.9	0	0	113	Q289 L292 H305 I306 R307	Q289-E303 PolarHBondContact NE2-OE1 3.34Å; Q289-E303 PolarHBondContact NE2-OE2 3.06Å; L292-E303 HydrophobicContact CD1-CG 3.73Å; L292-E303 HydrophobicContact CD2-CG 3.79Å; L292-E303 HydrophobicContact CG-CG 3.51Å; E303-H305 PolarHBondContact O-N 3.04Å; E303-I306 PolarHBondContact O-N 2.86Å; E303-R307 WeakPolarHBondContact O-CG 3.36Å; E303-R307 PolarHBondContact O-N 2.89Å; E303-R307 IonicContact OE1-CZ 3.88Å; E303-R307 IonicContact OE1-NE 3.71Å; E303-R307 PolarHBondContact OE1-NE 3.47Å; E303-R307 IonicContact OE1-NH2 2.83Å; E303-R307 PolarHBondContact OE1-NH2 2.89Å
304	E	84.4	Confident	83.6	Confident	89 Å²	89	54.3 Å²	54.3	42%	0.416	28%	0.279	S	S	.	.	H	α-helix	trans	-54.1	-49.9	172.6	-75.9	-179.3	-127.9	0	0	113.3	K266 P302 I306 R307 I308	K266-E304 IonicContact NZ-OE2 2.69Å; K266-E304 PolarHBondContact NZ-OE2 2.95Å; P302-E304 PolarHBondContact O-N 3.24Å; E304-I306 VanDerWaalsContact C-N 3.31Å; E304-I306 PolarHBondContact O-N 2.82Å; E304-R307 PolarHBondContact O-N 3.49Å; E304-I308 WeakPolarHBondContact O-CB 3.33Å; E304-I308 WeakPolarHBondContact O-CD1 3.07Å; E304-I308 VanDerWaalsContact O-CG1 3.23Å; E304-I308 WeakPolarHBondContact O-CG1 3.47Å; E304-I308 PolarHBondContact O-N 2.94Å
305	H	81.8	Confident	83.2	Confident	45 Å²	45	53.6 Å²	53.6	21%	0.208	29%	0.286	C	S	.	.	H	α-helix	trans	-71.1	-31.4	-177.1	-66.9	-84.9	0	0	0	111.2	K266 L271 P302 E303 W309	K266-H305 PolarHBondContact O-CE1 2.62Å; K266-H305 PolarHBondContact O-ND1 3.18Å; L271-H305 HydrophobicContact CD1-CB 3.9Å; P302-H305 PolarHBondContact O-N 2.77Å; E303-H305 PolarHBondContact O-N 3.04Å; H305-W309 VanDerWaalsContact O-CB 3.27Å; H305-W309 WeakPolarHBondContact O-CB 3.35Å; H305-W309 PolarHBondContact O-N 3.47Å
306	I	85.1	Confident	82.6	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-66.2	-48.5	173.6	-62.2	172.3	0	0	0	109.8	M277 L292 L295 S299 H301 P302 E303 E304 I308 W309 F310	M277-I306 HydrophobicContact CE-CB 4.22Å; M277-I306 HydrophobicContact CE-CG1 4.17Å; M277-I306 HydrophobicContact CE-CG2 3.8Å; M277-I306 HydrophobicContact SD-CD1 4.49Å; M277-I306 HydrophobicContact SD-CG1 4.08Å; M277-I306 HydrophobicContact SD-CG2 4.04Å; L292-I306 HydrophobicContact CD1-CB 3.98Å; L292-I306 HydrophobicContact CD1-CG2 3.43Å; L292-I306 VanDerWaalsContact CD1-CG2 3.43Å; L295-I306 HydrophobicContact CB-CD1 4.25Å; L295-I306 HydrophobicContact CB-CG2 4.28Å; L295-I306 HydrophobicContact CD1-CG2 4.32Å; S299-I306 WeakPolarHBondContact OG-CD1 3.41Å; H301-I306 HydrophobicContact CB-CD1 4.5Å; H301-I306 HydrophobicContact CB-CG1 4.33Å; P302-I306 PolarHBondContact O-N 3.43Å; E303-I306 PolarHBondContact O-N 2.86Å; E304-I306 VanDerWaalsContact C-N 3.31Å; E304-I306 PolarHBondContact O-N 2.82Å; I306-I308 PolarHBondContact O-N 3.25Å; I306-W309 PolarHBondContact O-N 3.46Å; I306-F310 HydrophobicContact CG2-CD2 3.89Å; I306-F310 HydrophobicContact CG2-CE2 3.99Å; I306-F310 WeakPolarHBondContact O-CD2 3.48Å; I306-F310 PolarHBondContact O-N 2.83Å
307	R	85.9	Confident	81.8	Confident	117 Å²	117	63.1 Å²	63.1	44%	0.442	33%	0.325	S	S	.	.	H	α-helix	trans	-57.6	-45.3	174	-75.2	-172.4	-102.7	107.4	-6.9	112.3	L292 E303 E304 A311	L292-R307 HydrophobicContact CD1-CG 4.01Å; L292-R307 HydrophobicContact CD2-CG 3.64Å; L292-R307 HydrophobicContact CG-CG 4.48Å; E303-R307 WeakPolarHBondContact O-CG 3.36Å; E303-R307 PolarHBondContact O-N 2.89Å; E303-R307 IonicContact OE1-CZ 3.88Å; E303-R307 IonicContact OE1-NE 3.71Å; E303-R307 PolarHBondContact OE1-NE 3.47Å; E303-R307 IonicContact OE1-NH2 2.83Å; E303-R307 PolarHBondContact OE1-NH2 2.89Å; E304-R307 PolarHBondContact O-N 3.49Å; R307-A311 WeakPolarHBondContact O-CB 3.28Å; R307-A311 PolarHBondContact O-N 3.4Å
308	I	86.6	Confident	81.4	Confident	43 Å²	43	62.3 Å²	62.3	22%	0.221	33%	0.325	C	S	.	.	H	α-helix	trans	-62.7	-42.1	176.8	-70.5	164.1	0	0	0	111	K266 E304 I306 A311 T312	K266-I308 HydrophobicContact CB-CD1 4.38Å; E304-I308 WeakPolarHBondContact O-CB 3.33Å; E304-I308 WeakPolarHBondContact O-CD1 3.07Å; E304-I308 VanDerWaalsContact O-CG1 3.23Å; E304-I308 WeakPolarHBondContact O-CG1 3.47Å; E304-I308 PolarHBondContact O-N 2.94Å; I306-I308 PolarHBondContact O-N 3.25Å; I308-A311 PolarHBondContact O-N 3.34Å; I308-T312 WeakPolarHBondContact O-CB 3.43Å; I308-T312 PolarHBondContact O-N 3.26Å; I308-T312 PolarHBondContact O-OG1 2.83Å
309	W	87.6	Confident	81.4	Confident	5 Å²	5	61.2 Å²	61.2	2%	0.019	31%	0.312	C	S	.	.	H	α-helix	trans	-65.1	-49.6	178.7	-177	87.9	0	0	0	111.8	L271 D272 M277 I278 F281 H305 I306 A311 T312 Q313	L271-W309 HydrophobicContact CB-CB 4.39Å; L271-W309 HydrophobicContact CB-CD2 4.5Å; L271-W309 HydrophobicContact CB-CG 3.86Å; L271-W309 HydrophobicContact CD1-CB 3.95Å; L271-W309 HydrophobicContact CD1-CG 4.33Å; D272-W309 PolarHBondContact OD1-NE1 2.72Å; M277-W309 HydrophobicContact CB-CE3 4.3Å; M277-W309 HydrophobicContact CB-CH2 3.75Å; M277-W309 HydrophobicContact CB-CZ2 4.14Å; M277-W309 HydrophobicContact CB-CZ3 3.84Å; M277-W309 HydrophobicContact CE-CB 4.17Å; M277-W309 HydrophobicContact CE-CD2 3.61Å; M277-W309 HydrophobicContact CE-CE3 3.26Å; M277-W309 HydrophobicContact CE-CG 4.04Å; M277-W309 HydrophobicContact CE-CZ3 3.84Å; I278-W309 HydrophobicContact CG1-CH2 4.38Å; I278-W309 HydrophobicContact CG1-CZ2 4.3Å; F281-W309 HydrophobicContact CB-CH2 4.08Å; F281-W309 HydrophobicContact CB-CZ3 4.03Å; F281-W309 HydrophobicContact CD2-CZ3 4.43Å; F281-W309 HydrophobicContact CG-CZ3 4.47Å; H305-W309 VanDerWaalsContact O-CB 3.27Å; H305-W309 WeakPolarHBondContact O-CB 3.35Å; H305-W309 PolarHBondContact O-N 3.47Å; I306-W309 PolarHBondContact O-N 3.46Å; W309-A311 VanDerWaalsContact C-N 3.32Å; W309-A311 PolarHBondContact O-N 3.01Å; W309-T312 CarbonylContact O-C 3.46Å; W309-T312 WeakPolarHBondContact O-CB 3.48Å; W309-T312 PolarHBondContact O-N 2.73Å; W309-T312 VanDerWaalsContact O-N 3.08Å; W309-Q313 HydrophobicContact CD2-CG 3.8Å; W309-Q313 HydrophobicContact CE3-CG 4.05Å; W309-Q313 HydrophobicContact CG-CG 4.41Å; W309-Q313 HydrophobicContact CH2-CG 4Å; W309-Q313 HydrophobicContact CZ2-CG 3.71Å; W309-Q313 HydrophobicContact CZ3-CG 4.15Å; W309-Q313 WeakPolarHBondContact O-CG 3.43Å; W309-Q313 PolarHBondContact O-N 3.07Å
310	F	87.9	Confident	81.1	Confident	1 Å²	1	65.9 Å²	65.9	0%	0.004	35%	0.345	C	S	.	.	H	α-helix	trans	-59.5	-41	176.8	-90.3	-91.1	0	0	0	112.3	M277 F281 P285 P287 L295 I306 Q313 R314	M277-F310 HydrophobicContact CE-CD2 3.95Å; M277-F310 HydrophobicContact CE-CE2 3.7Å; M277-F310 HydrophobicContact SD-CE2 4.33Å; F281-F310 HydrophobicContact CB-CE1 3.96Å; F281-F310 HydrophobicContact CB-CZ 4.45Å; F281-F310 AromaticContact CD2-CD1 3.83Å; F281-F310 HydrophobicContact CD2-CD1 3.83Å; F281-F310 HydrophobicContact CD2-CE1 4.03Å; P285-F310 WeakPolarHBondContact O-CD1 3.44Å; P287-F310 VanDerWaalsContact CD-CD1 3.47Å; P287-F310 HydrophobicContact CG-CD1 3.77Å; P287-F310 HydrophobicContact CG-CD2 4.19Å; P287-F310 HydrophobicContact CG-CE1 3.78Å; P287-F310 HydrophobicContact CG-CE2 4.24Å; P287-F310 HydrophobicContact CG-CG 3.97Å; P287-F310 HydrophobicContact CG-CZ 4.04Å; L295-F310 HydrophobicContact CD1-CE2 3.64Å; L295-F310 HydrophobicContact CD1-CZ 3.8Å; I306-F310 HydrophobicContact CG2-CD2 3.89Å; I306-F310 HydrophobicContact CG2-CE2 3.99Å; I306-F310 WeakPolarHBondContact O-CD2 3.48Å; I306-F310 PolarHBondContact O-N 2.83Å; F310-Q313 PolarHBondContact O-N 2.91Å; F310-R314 WeakPolarHBondContact O-CG 3.38Å; F310-R314 PolarHBondContact O-N 2.99Å
311	A	84.4	Confident	81	Confident	42 Å²	42	61.1 Å²	61.1	35%	0.347	32%	0.322	S	S	.	.	H	α-helix	trans	-63.3	-42.5	173.6	0	0	0	0	0	112.1	R307 I308 W309 Q313 R314 L315	R307-A311 WeakPolarHBondContact O-CB 3.28Å; R307-A311 PolarHBondContact O-N 3.4Å; I308-A311 PolarHBondContact O-N 3.34Å; W309-A311 VanDerWaalsContact C-N 3.32Å; W309-A311 PolarHBondContact O-N 3.01Å; A311-Q313 PolarHBondContact O-N 3.08Å; A311-R314 PolarHBondContact O-N 3.49Å; A311-L315 WeakPolarHBondContact O-CG 3.35Å; A311-L315 PolarHBondContact O-N 3.05Å; A311-L315 VanDerWaalsContact O-N 3.17Å
312	T	83.4	Confident	80.6	Confident	35 Å²	35	60.9 Å²	60.9	22%	0.215	33%	0.325	C	S	.	.	H	α-helix	trans	-65	-39	177.2	-54	0	0	0	0	111.7	Y267 I308 W309 L315 K316	Y267-T312 HydrophobicContact CD2-CG2 4.37Å; Y267-T312 HydrophobicContact CE2-CG2 3.7Å; I308-T312 WeakPolarHBondContact O-CB 3.43Å; I308-T312 PolarHBondContact O-N 3.26Å; I308-T312 PolarHBondContact O-OG1 2.83Å; W309-T312 CarbonylContact O-C 3.46Å; W309-T312 WeakPolarHBondContact O-CB 3.48Å; W309-T312 PolarHBondContact O-N 2.73Å; W309-T312 VanDerWaalsContact O-N 3.08Å; T312-L315 PolarHBondContact O-N 2.84Å; T312-K316 HydrophobicContact CG2-CD 4.34Å; T312-K316 WeakPolarHBondContact O-CG 3.37Å; T312-K316 PolarHBondContact O-N 2.78Å
313	Q	82.1	Confident	79.6	Confident	19 Å²	19	62 Å²	62	9%	0.089	33%	0.333	C	S	.	.	H	α-helix	trans	-71.5	-38.4	179.1	-67.7	-63.5	-7	0	0	112.3	D272 F281 W309 F310 A311 L315 K316 H317	D272-Q313 PolarHBondContact OD1-NE2 3.26Å; F281-Q313 HydrophobicContact CD2-CB 3.92Å; F281-Q313 HydrophobicContact CE1-CB 4.37Å; F281-Q313 HydrophobicContact CE2-CB 3.44Å; F281-Q313 VanDerWaalsContact CE2-CB 3.44Å; F281-Q313 HydrophobicContact CZ-CB 3.69Å; W309-Q313 HydrophobicContact CD2-CG 3.8Å; W309-Q313 HydrophobicContact CE3-CG 4.05Å; W309-Q313 HydrophobicContact CG-CG 4.41Å; W309-Q313 HydrophobicContact CH2-CG 4Å; W309-Q313 HydrophobicContact CZ2-CG 3.71Å; W309-Q313 HydrophobicContact CZ3-CG 4.15Å; W309-Q313 WeakPolarHBondContact O-CG 3.43Å; W309-Q313 PolarHBondContact O-N 3.07Å; F310-Q313 PolarHBondContact O-N 2.91Å; A311-Q313 PolarHBondContact O-N 3.08Å; Q313-L315 VanDerWaalsContact C-N 3.3Å; Q313-L315 PolarHBondContact O-N 2.86Å; Q313-K316 VanDerWaalsContact NE2-NZ 3.14Å; Q313-K316 PolarHBondContact O-N 3.41Å; Q313-K316 VanDerWaalsContact OE1-CD 3.29Å; Q313-H317 WeakPolarHBondContact O-CB 3.27Å; Q313-H317 PolarHBondContact O-CD2 3.36Å; Q313-H317 VanDerWaalsContact O-CD2 3.3Å; Q313-H317 PolarHBondContact O-N 2.96Å
314	R	85.4	Confident	78.8	Confident	56 Å²	56	65.8 Å²	65.8	21%	0.211	35%	0.35	C	S	.	.	H	α-helix	trans	-56.5	-45.2	169.4	-71.1	175.3	-146.2	151.6	10.9	111.7	F281 P285 F310 A311 H317 G318 I319	F281-R314 HydrophobicContact CE2-CG 4.21Å; P285-R314 HydrophobicContact CB-CG 4.13Å; P285-R314 PolarHBondContact O-NE 2.96Å; P285-R314 PolarHBondContact O-NH2 2.8Å; F310-R314 WeakPolarHBondContact O-CG 3.38Å; F310-R314 PolarHBondContact O-N 2.99Å; A311-R314 PolarHBondContact O-N 3.49Å; R314-H317 CarbonylContact O-C 3.59Å; R314-H317 PolarHBondContact O-N 3.26Å; R314-G318 PolarHBondContact O-N 3.05Å; R314-I319 HydrophobicContact CB-CB 4.2Å; R314-I319 HydrophobicContact CG-CB 4.33Å; R314-I319 PolarHBondContact O-N 2.98Å
315	L	80.7	Confident	78.5	Confident	139 Å²	139	66.4 Å²	66.4	73%	0.728	35%	0.353	S	S	*	.	H	α-helix	trans	-64.3	-42.8	177.3	-69.1	169.4	0	0	0	112.4	A311 T312 Q313 H317 G318	A311-L315 WeakPolarHBondContact O-CG 3.35Å; A311-L315 PolarHBondContact O-N 3.05Å; A311-L315 VanDerWaalsContact O-N 3.17Å; T312-L315 PolarHBondContact O-N 2.84Å; Q313-L315 VanDerWaalsContact C-N 3.3Å; Q313-L315 PolarHBondContact O-N 2.86Å; L315-H317 VanDerWaalsContact C-N 3.33Å; L315-H317 PolarHBondContact O-N 3.29Å; L315-G318 PolarHBondContact O-N 2.93Å
316	K	71.8	Confident	78.2	Confident	117 Å²	117	64.6 Å²	64.6	51%	0.509	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-37.8	174.9	-75.9	170.9	177.6	175.6	0	112.8	Y267 D272 T312 Q313	Y267-K316 PolarHBondContact OH-NZ 3.35Å; D272-K316 IonicContact OD1-NZ 3.82Å; D272-K316 IonicContact OD2-NZ 3.55Å; T312-K316 HydrophobicContact CG2-CD 4.34Å; T312-K316 WeakPolarHBondContact O-CG 3.37Å; T312-K316 PolarHBondContact O-N 2.78Å; Q313-K316 VanDerWaalsContact NE2-NZ 3.14Å; Q313-K316 PolarHBondContact O-N 3.41Å; Q313-K316 VanDerWaalsContact OE1-CD 3.29Å
317	H	71.3	Confident	77.7	Confident	121 Å²	121	69.6 Å²	69.6	56%	0.56	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	2.6	-178.8	-77.3	-90.2	0	0	0	114.3	F281 Q313 R314 L315 I319	F281-H317 AromaticContact CE1-CD2 3.63Å; F281-H317 AromaticContact CE1-NE2 3.94Å; F281-H317 HydrophobicContact CZ-CB 4.34Å; F281-H317 AromaticContact CZ-CD2 3.79Å; Q313-H317 WeakPolarHBondContact O-CB 3.27Å; Q313-H317 PolarHBondContact O-CD2 3.36Å; Q313-H317 VanDerWaalsContact O-CD2 3.3Å; Q313-H317 PolarHBondContact O-N 2.96Å; R314-H317 CarbonylContact O-C 3.59Å; R314-H317 PolarHBondContact O-N 3.26Å; L315-H317 VanDerWaalsContact C-N 3.33Å; L315-H317 PolarHBondContact O-N 3.29Å; H317-I319 VanDerWaalsContact C-N 3.27Å; H317-I319 HydrophobicContact CB-CD1 3.84Å; H317-I319 HydrophobicContact CB-CG1 3.75Å; H317-I319 PolarHBondContact O-N 2.97Å
318	G	75.9	Confident	77.2	Confident	61 Å²	61	68.4 Å²	68.4	63%	0.629	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	21.7	-179.1	0	0	0	0	0	114.7	R314 L315 S320	R314-G318 PolarHBondContact O-N 3.05Å; L315-G318 PolarHBondContact O-N 2.93Å; G318-S320 PolarHBondContact O-N 3.23Å
319	I	77.2	Confident	76.6	Confident	25 Å²	25	67.1 Å²	67.1	13%	0.128	36%	0.364	C	S	.	.			trans	-82.1	99.6	-174.5	-52.8	179.2	0	0	0	109.7	F281 P285 Y286 R314 H317 W321	F281-I319 HydrophobicContact CE1-CD1 4.3Å; F281-I319 HydrophobicContact CE2-CD1 4.46Å; F281-I319 HydrophobicContact CZ-CD1 3.71Å; P285-I319 HydrophobicContact CB-CD1 4Å; P285-I319 HydrophobicContact CB-CG2 4.47Å; P285-I319 HydrophobicContact CG-CD1 3.72Å; Y286-I319 HydrophobicContact CE2-CG2 3.94Å; R314-I319 HydrophobicContact CB-CB 4.2Å; R314-I319 HydrophobicContact CG-CB 4.33Å; R314-I319 PolarHBondContact O-N 2.98Å; H317-I319 VanDerWaalsContact C-N 3.27Å; H317-I319 HydrophobicContact CB-CD1 3.84Å; H317-I319 HydrophobicContact CB-CG1 3.75Å; H317-I319 PolarHBondContact O-N 2.97Å; I319-W321 HydrophobicContact CG2-CG 4.3Å
320	S	71.2	Confident	75.9	Confident	110 Å²	110	69.8 Å²	69.8	77%	0.769	37%	0.374	S	S	*	.			trans	-113.9	60.5	178.4	63.9	0	0	0	0	112.1	G318	G318-S320 PolarHBondContact O-N 3.23Å
321	W	74.4	Confident	75.3	Confident	89 Å²	89	75.4 Å²	75.4	34%	0.337	40%	0.398	S	S	.	.			trans	-79	137.5	171.1	-63.2	2	0	0	0	110.5	F284 Y286 I319 E325 V326 A329	F284-W321 HydrophobicContact CE2-CH2 4.47Å; F284-W321 AromaticContact CE2-CZ3 3.79Å; F284-W321 HydrophobicContact CE2-CZ3 3.79Å; F284-W321 HydrophobicContact CZ-CZ3 4.13Å; Y286-W321 HydrophobicContact CD2-CE3 4.47Å; Y286-W321 HydrophobicContact CE2-CB 3.94Å; Y286-W321 HydrophobicContact CE2-CD2 4.4Å; Y286-W321 HydrophobicContact CE2-CE3 4.37Å; Y286-W321 HydrophobicContact CE2-CG 4.25Å; Y286-W321 WeakPolarHBondContact OH-CB 3.4Å; Y286-W321 PolarHBondContact OH-N 2.74Å; Y286-W321 VanDerWaalsContact OH-N 3.08Å; Y286-W321 PolarHBondContact OH-O 2.64Å; I319-W321 HydrophobicContact CG2-CG 4.3Å; W321-E325 HydrophobicContact CB-CB 4.17Å; W321-V326 HydrophobicContact CB-CG2 3.86Å; W321-V326 HydrophobicContact CE3-CG2 4.09Å; W321-A329 HydrophobicContact CE3-CB 4.38Å; W321-A329 HydrophobicContact CH2-CB 4.11Å; W321-A329 HydrophobicContact CZ3-CB 3.54Å
322	S	67.9	Low	74.7	Confident	38 Å²	38	79.7 Å²	79.7	27%	0.266	41%	0.409	S	S	.	.			trans	-65.9	157.8	168.5	60.7	0	0	0	0	111.9	E324 E325 V326	S322-E324 WeakPolarHBondContact CB-OE2 3.31Å; S322-E324 PolarHBondContact O-N 3.38Å; S322-E325 VanDerWaalsContact CB-OE2 3.3Å; S322-E325 WeakPolarHBondContact CB-OE2 3.35Å; S322-E325 PolarHBondContact N-OE2 3.02Å; S322-E325 PolarHBondContact O-N 3.43Å; S322-E325 WeakPolarHBondContact OG-CB 3.44Å; S322-E325 VanDerWaalsContact OG-CD 3.28Å; S322-E325 VanDerWaalsContact OG-CG 3.22Å; S322-E325 WeakPolarHBondContact OG-CG 3.47Å; S322-E325 PolarHBondContact OG-N 3.09Å; S322-E325 VanDerWaalsContact OG-N 3.16Å; S322-E325 PolarHBondContact OG-OE2 2.7Å; S322-V326 VanDerWaalsContact O-CG2 3.3Å; S322-V326 WeakPolarHBondContact O-CG2 3.43Å; S322-V326 PolarHBondContact O-N 2.86Å
323	P	62.2	Low	73.6	Confident	99 Å²	99	82.3 Å²	82.3	64%	0.643	42%	0.42	S	S	*	.	H	α-helix	trans	-51.7	-36.3	171.7	-26.5	34.9	0	0	0	113.3	E327	P323-E327 PolarHBondContact O-N 3.35Å; P323-E327 VanDerWaalsContact O-N 3.1Å
324	E	68	Low	72.4	Confident	131 Å²	131	88.2 Å²	88.2	61%	0.612	45%	0.446	S	S	*	.	H	α-helix	trans	-68.3	-46.1	179.6	-64.1	68.8	-153.2	0	0	111.5	S322 V326 E327 E328	S322-E324 WeakPolarHBondContact CB-OE2 3.31Å; S322-E324 PolarHBondContact O-N 3.38Å; E324-V326 VanDerWaalsContact C-N 3.34Å; E324-V326 PolarHBondContact O-N 2.93Å; E324-E327 PolarHBondContact O-N 2.83Å; E324-E328 VanDerWaalsContact O-CB 3.31Å; E324-E328 WeakPolarHBondContact O-CB 3.31Å; E324-E328 WeakPolarHBondContact O-CG 3.39Å; E324-E328 PolarHBondContact O-N 3.41Å
325	E	77.1	Confident	70.6	Confident	101 Å²	101	90.6 Å²	90.6	47%	0.472	46%	0.462	S	S	.	.	H	α-helix	trans	-65.4	-35.8	175.4	-73.4	163.7	123.8	0	0	112.6	W321 S322 A329	W321-E325 HydrophobicContact CB-CB 4.17Å; S322-E325 VanDerWaalsContact CB-OE2 3.3Å; S322-E325 WeakPolarHBondContact CB-OE2 3.35Å; S322-E325 PolarHBondContact N-OE2 3.02Å; S322-E325 PolarHBondContact O-N 3.43Å; S322-E325 WeakPolarHBondContact OG-CB 3.44Å; S322-E325 VanDerWaalsContact OG-CD 3.28Å; S322-E325 VanDerWaalsContact OG-CG 3.22Å; S322-E325 WeakPolarHBondContact OG-CG 3.47Å; S322-E325 PolarHBondContact OG-N 3.09Å; S322-E325 VanDerWaalsContact OG-N 3.16Å; S322-E325 PolarHBondContact OG-OE2 2.7Å; E325-A329 VanDerWaalsContact O-CB 3.28Å; E325-A329 WeakPolarHBondContact O-CB 3.48Å; E325-A329 PolarHBondContact O-N 2.79Å
326	V	75.6	Confident	69.1	Low	8 Å²	8	87.3 Å²	87.3	5%	0.048	46%	0.462	C	S	.	.	H	α-helix	trans	-62.6	-45.8	174.7	171	0	0	0	0	110.7	F284 Y286 W321 S322 E324 A329 R330	F284-V326 HydrophobicContact CE1-CG1 4Å; F284-V326 HydrophobicContact CZ-CG1 4.1Å; Y286-V326 HydrophobicContact CD1-CB 4.49Å; Y286-V326 HydrophobicContact CD1-CG1 4.17Å; Y286-V326 HydrophobicContact CD1-CG2 3.5Å; Y286-V326 VanDerWaalsContact CD1-CG2 3.5Å; Y286-V326 HydrophobicContact CD2-CG2 3.72Å; Y286-V326 HydrophobicContact CE1-CG2 3.55Å; Y286-V326 HydrophobicContact CE2-CG2 3.81Å; Y286-V326 HydrophobicContact CG-CB 4.48Å; Y286-V326 HydrophobicContact CG-CG1 3.98Å; Y286-V326 HydrophobicContact CG-CG2 3.57Å; W321-V326 HydrophobicContact CB-CG2 3.86Å; W321-V326 HydrophobicContact CE3-CG2 4.09Å; S322-V326 VanDerWaalsContact O-CG2 3.3Å; S322-V326 WeakPolarHBondContact O-CG2 3.43Å; S322-V326 PolarHBondContact O-N 2.86Å; E324-V326 VanDerWaalsContact C-N 3.34Å; E324-V326 PolarHBondContact O-N 2.93Å; V326-A329 PolarHBondContact O-N 2.85Å; V326-R330 WeakPolarHBondContact O-CG 3.36Å; V326-R330 PolarHBondContact O-N 3.21Å
327	E	74.8	Confident	68.1	Low	105 Å²	105	87.4 Å²	87.4	49%	0.491	47%	0.472	S	S	.	.	H	α-helix	trans	-75.4	-36.1	-179.4	-160.7	57.7	-156.4	0	0	112	P323 E324 A329 R330 K331	P323-E327 PolarHBondContact O-N 3.35Å; P323-E327 VanDerWaalsContact O-N 3.1Å; E324-E327 PolarHBondContact O-N 2.83Å; E327-A329 VanDerWaalsContact C-N 3.32Å; E327-A329 PolarHBondContact O-N 2.99Å; E327-R330 PolarHBondContact O-N 3.37Å; E327-R330 IonicContact OE2-NH1 3.8Å; E327-R330 PolarHBondContact OE2-NH1 2.97Å; E327-K331 WeakPolarHBondContact O-CB 3.19Å; E327-K331 PolarHBondContact O-N 3.04Å
328	E	74.6	Confident	66.8	Low	91 Å²	91	86.9 Å²	86.9	43%	0.425	47%	0.472	S	S	.	.	H	α-helix	trans	-53.4	-46.3	166.7	-89	-88.7	105.6	0	0	112	E324 K332	E324-E328 VanDerWaalsContact O-CB 3.31Å; E324-E328 WeakPolarHBondContact O-CB 3.31Å; E324-E328 WeakPolarHBondContact O-CG 3.39Å; E324-E328 PolarHBondContact O-N 3.41Å; E328-K332 WeakPolarHBondContact O-CB 3.43Å; E328-K332 VanDerWaalsContact O-CD 3.3Å; E328-K332 WeakPolarHBondContact O-CD 3.47Å; E328-K332 WeakPolarHBondContact O-CG 3.34Å; E328-K332 PolarHBondContact O-N 3.18Å; E328-K332 VanDerWaalsContact OE2-CE 3.25Å; E328-K332 WeakPolarHBondContact OE2-CE 3.45Å; E328-K332 IonicContact OE2-NZ 3.81Å; E328-K332 PolarHBondContact OE2-NZ 3.41Å
329	A	74.8	Confident	64.8	Low	16 Å²	16	92.5 Å²	92.5	13%	0.132	48%	0.483	C	S	.	.	H	α-helix	trans	-70.2	-42.9	-179.5	0	0	0	0	0	112.3	F284 W321 E325 V326 E327 K331 K332 M333	F284-A329 HydrophobicContact CE2-CB 3.79Å; F284-A329 HydrophobicContact CZ-CB 4.11Å; W321-A329 HydrophobicContact CE3-CB 4.38Å; W321-A329 HydrophobicContact CH2-CB 4.11Å; W321-A329 HydrophobicContact CZ3-CB 3.54Å; E325-A329 VanDerWaalsContact O-CB 3.28Å; E325-A329 WeakPolarHBondContact O-CB 3.48Å; E325-A329 PolarHBondContact O-N 2.79Å; V326-A329 PolarHBondContact O-N 2.85Å; E327-A329 VanDerWaalsContact C-N 3.32Å; E327-A329 PolarHBondContact O-N 2.99Å; A329-K331 VanDerWaalsContact C-N 3.35Å; A329-K331 PolarHBondContact O-N 3.06Å; A329-K332 PolarHBondContact O-N 3.38Å; A329-M333 WeakPolarHBondContact O-CG 3.35Å; A329-M333 PolarHBondContact O-N 2.75Å
330	R	72.7	Confident	62.7	Low	62 Å²	62	96.2 Å²	96.2	23%	0.234	51%	0.511	C	S	.	.	H	α-helix	trans	-61.3	-43.3	172.7	-72.7	-150.2	-159.2	107	-4	112.2	F284 Y286 V326 E327 K332 M333 F334	F284-R330 HydrophobicContact CD1-CG 4.29Å; F284-R330 HydrophobicContact CE1-CG 3.46Å; F284-R330 VanDerWaalsContact CE1-CG 3.46Å; F284-R330 HydrophobicContact CE2-CG 4.32Å; F284-R330 HydrophobicContact CZ-CG 3.49Å; F284-R330 VanDerWaalsContact CZ-CG 3.49Å; Y286-R330 PolarHBondContact O-NH2 2.97Å; V326-R330 WeakPolarHBondContact O-CG 3.36Å; V326-R330 PolarHBondContact O-N 3.21Å; E327-R330 PolarHBondContact O-N 3.37Å; E327-R330 IonicContact OE2-NH1 3.8Å; E327-R330 PolarHBondContact OE2-NH1 2.97Å; R330-K332 VanDerWaalsContact C-N 3.33Å; R330-K332 PolarHBondContact O-N 3.19Å; R330-M333 WeakPolarHBondContact O-CB 3.31Å; R330-M333 PolarHBondContact O-N 3.33Å; R330-M333 VanDerWaalsContact O-N 3.14Å; R330-F334 WeakPolarHBondContact O-CB 3.4Å; R330-F334 PolarHBondContact O-N 3.43Å
331	K	76.2	Confident	60.8	Low	119 Å²	119	96.7 Å²	96.7	52%	0.517	51%	0.508	S	S	.	.	H	α-helix	trans	-58.5	-45.1	176.7	-177.1	176.7	-179.8	-175.6	0	111	E327 A329 M333 F334 N335	E327-K331 WeakPolarHBondContact O-CB 3.19Å; E327-K331 PolarHBondContact O-N 3.04Å; A329-K331 VanDerWaalsContact C-N 3.35Å; A329-K331 PolarHBondContact O-N 3.06Å; K331-M333 PolarHBondContact O-N 3.48Å; K331-F334 PolarHBondContact O-N 2.89Å; K331-N335 VanDerWaalsContact CG-OD1 3.3Å; K331-N335 WeakPolarHBondContact CG-OD1 3.47Å; K331-N335 WeakPolarHBondContact O-CB 3.32Å; K331-N335 PolarHBondContact O-N 2.75Å; K331-N335 PolarHBondContact O-OD1 3.21Å; K331-N335 VanDerWaalsContact O-OD1 3.13Å
332	K	71.1	Confident	58.9	Low	132 Å²	132	97 Å²	97	57%	0.574	52%	0.522	S	S	*	.	H	α-helix	trans	-61.7	-39.1	174.4	-70.5	160.1	-165	171	0	112.4	E328 A329 R330 G336	E328-K332 WeakPolarHBondContact O-CB 3.43Å; E328-K332 VanDerWaalsContact O-CD 3.3Å; E328-K332 WeakPolarHBondContact O-CD 3.47Å; E328-K332 WeakPolarHBondContact O-CG 3.34Å; E328-K332 PolarHBondContact O-N 3.18Å; E328-K332 VanDerWaalsContact OE2-CE 3.25Å; E328-K332 WeakPolarHBondContact OE2-CE 3.45Å; E328-K332 IonicContact OE2-NZ 3.81Å; E328-K332 PolarHBondContact OE2-NZ 3.41Å; A329-K332 PolarHBondContact O-N 3.38Å; R330-K332 VanDerWaalsContact C-N 3.33Å; R330-K332 PolarHBondContact O-N 3.19Å; K332-G336 PolarHBondContact O-N 2.89Å
333	M	61.4	Low	57.5	Low	89 Å²	89	101.4 Å²	101.4	44%	0.438	55%	0.55	S	S	.	.	H	α-helix	trans	-66.7	-38.8	173.5	-68.6	174.7	69.5	0	0	113	F284 A329 R330 K331	F284-M333 HydrophobicContact CD2-SD 3.69Å; F284-M333 HydrophobicContact CE2-SD 4.07Å; F284-M333 HydrophobicContact CG-SD 4.45Å; A329-M333 WeakPolarHBondContact O-CG 3.35Å; A329-M333 PolarHBondContact O-N 2.75Å; R330-M333 WeakPolarHBondContact O-CB 3.31Å; R330-M333 PolarHBondContact O-N 3.33Å; R330-M333 VanDerWaalsContact O-N 3.14Å; K331-M333 PolarHBondContact O-N 3.48Å
334	F	56.1	Low	56.1	Low	144 Å²	144	102.1 Å²	102.1	63%	0.632	55%	0.553	S	S	*	*	H	α-helix	trans	-75.7	-43.9	-179	-168.5	-102.7	0	0	0	112.5	R330 K331 G336 T337 I338	R330-F334 WeakPolarHBondContact O-CB 3.4Å; R330-F334 PolarHBondContact O-N 3.43Å; K331-F334 PolarHBondContact O-N 2.89Å; F334-G336 PolarHBondContact O-N 3.4Å; F334-T337 PolarHBondContact O-N 2.94Å; F334-I338 HydrophobicContact CZ-CD1 4.42Å
335	N	47.8	Very low	54.5	Low	106 Å²	106	103.5 Å²	103.5	57%	0.567	56%	0.562	S	S	*	*	H	α-helix	trans	-63.8	-21	177.2	-82.5	112.7	0	0	0	113.5	K331 T337	K331-N335 VanDerWaalsContact CG-OD1 3.3Å; K331-N335 WeakPolarHBondContact CG-OD1 3.47Å; K331-N335 WeakPolarHBondContact O-CB 3.32Å; K331-N335 PolarHBondContact O-N 2.75Å; K331-N335 PolarHBondContact O-OD1 3.21Å; K331-N335 VanDerWaalsContact O-OD1 3.13Å; N335-T337 PolarHBondContact O-N 3.45Å
336	G	49	Very low	52.3	Low	69 Å²	69	104 Å²	104	71%	0.711	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-6.6	175.9	0	0	0	0	0	115.7	K332 F334	K332-G336 PolarHBondContact O-N 2.89Å; F334-G336 PolarHBondContact O-N 3.4Å
337	T	50.2	Low	50.1	Low	119 Å²	119	110 Å²	110	73%	0.73	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	-8.3	-171.6	-53.2	0	0	0	0	114.1	F334 N335	F334-T337 PolarHBondContact O-N 2.94Å; N335-T337 PolarHBondContact O-N 3.45Å
338	I	44.5	Very low	48	Very low	110 Å²	110	112.2 Å²	112.2	56%	0.564	62%	0.623	S	S	*	*			trans	-131.5	96.5	-179.2	-52.8	179.7	0	0	0	110.5	F334	F334-I338 HydrophobicContact CZ-CD1 4.42Å
339	Q	33.5	Very low	45.8	Very low	180 Å²	180	113.7 Å²	113.7	84%	0.841	64%	0.641	S	S	*	*			trans	-80.2	111.8	158.7	-75.7	-171.2	-5.9	0	0	109.3
340	S	33.4	Very low	43.5	Very low	103 Å²	103	117.3 Å²	117.3	72%	0.72	67%	0.671	S	S	*	*			trans	-109	107.4	158	59	0	0	0	0	108.2	P342	S340-P342 WeakPolarHBondContact O-CD 3.15Å
341	V	32.1	Very low	41.3	Very low	119 Å²	119	122.9 Å²	122.9	72%	0.721	70%	0.699	S	S	*	*			trans	-87.8	116.1	-178.2	-179.9	0	0	0	0	109.8
342	P	33.2	Very low	39	Very low	96 Å²	96	125.1 Å²	125.1	62%	0.623	72%	0.716	S	S	*	*			trans	-82.6	127.7	170.4	32.3	-31.2	0	0	0	110.3	S340 T344	S340-P342 WeakPolarHBondContact O-CD 3.15Å; P342-T344 PolarHBondContact O-N 2.87Å; P342-T344 VanDerWaalsContact O-N 3.15Å
343	P	39.4	Very low	36.8	Very low	130 Å²	130	123.2 Å²	123.2	84%	0.844	73%	0.725	S	S	*	*			trans	-70.7	111.3	177.8	28.6	-33.5	0	0	0	110.5
344	T	32.9	Very low	35.5	Very low	115 Å²	115	124.3 Å²	124.3	71%	0.706	74%	0.739	S	S	*	*			trans	-106	105	176.5	-57.5	0	0	0	0	109.9	P342	P342-T344 PolarHBondContact O-N 2.87Å; P342-T344 VanDerWaalsContact O-N 3.15Å
345	I	34	Very low	34.1	Very low	160 Å²	160	124.5 Å²	124.5	82%	0.821	75%	0.752	S	S	*	*			trans	-72.7	129.5	170.6	-63.9	175.3	0	0	0	108.3
346	T	30	Very low	33.2	Very low	112 Å²	112	128.8 Å²	128.8	69%	0.687	77%	0.766	S	S	*	*			trans	-109.1	129.3	-176.3	-60	0	0	0	0	110.7
347	V	31.5	Very low	32.3	Very low	132 Å²	132	131.9 Å²	131.9	80%	0.8	77%	0.77	S	S	*	*			trans	-139.2	130.4	168.1	-177.2	0	0	0	0	109.2
348	L	28.8	Very low	31.2	Very low	152 Å²	152	132.8 Å²	132.8	80%	0.796	78%	0.776	S	S	*	*			trans	-102.9	148.1	173.7	-79.2	160	0	0	0	110.3
349	P	29.2	Very low	30.6	Very low	122 Å²	122	135.9 Å²	135.9	79%	0.792	79%	0.788	S	S	*	*			trans	-88.9	119.3	-177.6	-2.4	22.2	0	0	0	113
350	A	26.6	Very low	31.4	Very low	93 Å²	93	132.1 Å²	132.1	77%	0.769	78%	0.779	S	S	*	*			trans	44.9	143.7	143.6	0	0	0	0	0	122.2
351	Q	26.8	Very low	31.1	Very low	178 Å²	178	134.3 Å²	134.3	83%	0.832	78%	0.781	S	S	*	*				-159.1	166.4	119.3	-83.7	-128.1	11	0	0	110.9
352	L	27.7	Very low	31	Very low	166 Å²	166	136.8 Å²	136.8	87%	0.869	79%	0.789	S	S	*	*			trans	79.4	130.1	171	-48.6	-175.3	0	0	0	118.9
353	A	24.9	Very low	30.7	Very low	92 Å²	92	140.4 Å²	140.4	76%	0.76	80%	0.798	S	S	*	*			trans	-131.4	-173.3	172.4	0	0	0	0	0	106.8
354	P	34.6	Very low	30.2	Very low	113 Å²	113	140 Å²	140	73%	0.734	79%	0.793	S	S	*	*			cis	-135.4	172.2	-1.4	42.5	-26.8	0	0	0	115.3
355	T	27	Very low	29.9	Very low	148 Å²	148	138.9 Å²	138.9	91%	0.908	80%	0.796	S	S	*	*			trans	-171.4	166.7	131.5	15.3	0	0	0	0	111.8
356	K	28.1	Very low	29.9	Very low	196 Å²	196	138.1 Å²	138.1	85%	0.852	79%	0.793	S	S	*	*			trans	-84.5	144.2	-170.4	-51.3	168.2	-177.4	175.6	0	112.1
357	V	30.1	Very low	30	Very low	133 Å²	133	138.9 Å²	138.9	81%	0.806	80%	0.8	S	S	*	*				-177.6	132.5	108.4	-88.1	0	0	0	0	114.1
358	T	26.6	Very low	29.8	Very low	139 Å²	139	137 Å²	137	85%	0.853	79%	0.791	S	S	*	*			trans	62.2	154	147	-40.1	0	0	0	0	121.6
359	Q	32.2	Very low	30	Very low	175 Å²	175	138.4 Å²	138.4	82%	0.818	79%	0.794	S	S	*	*			trans	-101	-165.2	-172.3	-52.2	-171	-12.4	0	0	111.9
360	P	50.2	Low	30.1	Very low	100 Å²	100	140.1 Å²	140.1	65%	0.649	80%	0.795	S	S	*	*			cis	-146.5	174	2.2	41.2	-19.4	0	0	0	120.6
361	I	27.5	Very low	30.1	Very low	150 Å²	150	144 Å²	144	77%	0.769	80%	0.801	S	S	*	*			trans	57.8	118.6	146.3	-67.8	158	0	0	0	120.6
362	L	30.4	Very low	30.1	Very low	170 Å²	170	139 Å²	139	89%	0.89	80%	0.798	S	S	*	*				-166.4	169.9	114.5	-105.8	-179.2	0	0	0	112.3
363	Q	27.2	Very low	30.1	Very low	172 Å²	172	139.7 Å²	139.7	80%	0.804	80%	0.797	S	S	*	*			trans	-146.4	165.3	-164.8	-161.1	-167.7	-6.7	0	0	112.1
364	T	27.3	Very low	30.5	Very low	122 Å²	122	141.4 Å²	141.4	75%	0.748	80%	0.798	S	S	*	*			trans	89.8	156.2	151.3	-51.9	0	0	0	0	118.8
365	A	26.6	Very low	30	Very low	91 Å²	91	142 Å²	142	75%	0.752	80%	0.804	S	S	*	*			trans	92.9	93	165.9	0	0	0	0	0	119.1
366	L	34.3	Very low	30.6	Very low	145 Å²	145	140.9 Å²	140.9	76%	0.759	79%	0.793	S	S	*	*			trans	-73.7	165.3	142.2	-132.8	92.5	0	0	0	109.3
367	P	33.3	Very low	30.6	Very low	128 Å²	128	138.4 Å²	138.4	83%	0.831	79%	0.793	S	S	*	*				-143.2	170.8	110.1	37.6	-24.2	0	0	0	115.3
368	C	27.6	Very low	30.8	Very low	93 Å²	93	139.2 Å²	139.2	63%	0.628	79%	0.792	S	S	*	*			trans	-99.9	153	-177.3	-66.2	0	0	0	0	113.2
369	Q	32.3	Very low	30.9	Very low	180 Å²	180	138.4 Å²	138.4	84%	0.841	79%	0.788	S	S	*	*			trans	50.9	141.1	148.8	-65.2	-176.2	79.2	0	0	120.8
370	I	30.2	Very low	30.7	Very low	159 Å²	159	138.4 Å²	138.4	82%	0.815	79%	0.787	S	S	*	*				172.8	135.8	120.9	-91.3	161.8	0	0	0	112.3
371	L	27.1	Very low	29.6	Very low	173 Å²	173	139.5 Å²	139.5	91%	0.906	79%	0.792	S	S	*	*			trans	24	136.7	146.8	-155.7	77	0	0	0	121.9
372	G	26.4	Very low	29.6	Very low	74 Å²	74	138.9 Å²	138.9	76%	0.763	80%	0.795	S	S	*	*			trans	169.1	150.7	157.7	0	0	0	0	0	115.4
373	Q	29.1	Very low	29.4	Very low	180 Å²	180	136 Å²	136	84%	0.841	79%	0.79	S	S	*	*			trans	-118.9	157.5	172.7	-67.6	-168.9	15.1	0	0	111.6
374	T	31.7	Very low	29.5	Very low	129 Å²	129	131.7 Å²	131.7	79%	0.791	79%	0.791	S	S	*	*			trans	44.3	120.2	152.5	54.1	0	0	0	0	120.2
375	S	24.8	Very low	29.6	Very low	124 Å²	124	131.1 Å²	131.1	87%	0.867	79%	0.792	S	S	*	*				-179.3	173.9	107.2	-160.9	0	0	0	0	111.4
376	L	39.5	Very low	29.8	Very low	126 Å²	126	132.5 Å²	132.5	66%	0.66	79%	0.791	S	S	*	*			trans	-109.9	146.5	179.7	-60.2	145	0	0	0	110.7	I393	L376-I393 HydrophobicContact CD1-CD1 3.49Å; L376-I393 VanDerWaalsContact CD1-CD1 3.49Å; L376-I393 HydrophobicContact CD2-CD1 4.19Å; L376-I393 HydrophobicContact CG-CD1 4.5Å
377	V	28.7	Very low	29.7	Very low	143 Å²	143	131.3 Å²	131.3	87%	0.867	79%	0.79	S	S	*	*			trans	-137.5	142.6	160.6	-179.5	0	0	0	0	108.8
378	L	34.2	Very low	29.7	Very low	150 Å²	150	131.7 Å²	131.7	79%	0.785	79%	0.79	S	S	*	*			trans	-134.2	137.7	-173.7	179.5	153.5	0	0	0	110.1
379	T	28.4	Very low	29.6	Very low	123 Å²	123	132.2 Å²	132.2	76%	0.755	80%	0.795	S	S	*	*			trans	-156.4	125.9	-174.6	-68.8	0	0	0	0	108.9
380	Q	28.8	Very low	29.4	Very low	174 Å²	174	129.6 Å²	129.6	81%	0.813	80%	0.795	S	S	*	*			cis	-140.2	-135.1	-7.6	-148.9	177.6	23.9	0	0	110.9
381	V	26.8	Very low	29.3	Very low	124 Å²	124	127.6 Å²	127.6	75%	0.752	80%	0.795	S	S	*	*			trans	-141.4	133.4	-169.1	-179.5	0	0	0	0	111.7
382	T	27.1	Very low	29.7	Very low	136 Å²	136	124.8 Å²	124.8	83%	0.834	79%	0.787	S	S	*	*			trans	-167.6	137	164.3	-86.2	0	0	0	0	109.5
383	S	26.8	Very low	30	Very low	111 Å²	111	127.2 Å²	127.2	78%	0.776	78%	0.781	S	S	*	*			cis	-160.5	143.7	-20.6	-92.9	0	0	0	0	109.1
384	G	28.6	Very low	29.9	Very low	80 Å²	80	124 Å²	124	83%	0.825	77%	0.774	S	S	*	*			trans	139.2	98.3	175.1	0	0	0	0	0	113.8
385	S	28.3	Very low	30	Very low	111 Å²	111	125.5 Å²	125.5	78%	0.776	78%	0.776	S	S	*	*			trans	-62.2	143.3	-172.8	-173.5	0	0	0	0	115.3
386	T	32	Very low	30	Very low	119 Å²	119	124.1 Å²	124.1	73%	0.73	77%	0.773	S	S	*	*				-172.1	97.9	114.1	-67.2	0	0	0	0	112.6
387	T	31.1	Very low	29.6	Very low	121 Å²	121	124.7 Å²	124.7	74%	0.742	78%	0.781	S	S	*	*			trans	61	134.3	150.2	67.1	0	0	0	0	124.5
388	V	33.7	Very low	29.4	Very low	136 Å²	136	122.6 Å²	122.6	82%	0.824	78%	0.779	S	S	*	*			trans	76.8	73.1	156.6	-147.3	0	0	0	0	121.8
389	S	25.8	Very low	29.1	Very low	104 Å²	104	118.7 Å²	118.7	73%	0.727	77%	0.774	S	S	*	*				18.4	121.8	127.5	-172.4	0	0	0	0	121.5
390	C	27.6	Very low	29.2	Very low	124 Å²	124	119.4 Å²	119.4	84%	0.838	78%	0.779	S	S	*	*				-177.1	152.7	105.1	-98.7	0	0	0	0	112.9
391	S	29.1	Very low	29.4	Very low	117 Å²	117	117.7 Å²	117.7	82%	0.818	78%	0.78	S	S	*	*			trans	-92.7	153.4	-170.3	-51.2	0	0	0	0	114.8
392	P	35.5	Very low	29.4	Very low	114 Å²	114	118.6 Å²	118.6	74%	0.74	78%	0.781	S	S	*	*			trans	-87.9	153.7	164.9	36	-33.4	0	0	0	112.1
393	I	32.6	Very low	29.7	Very low	126 Å²	126	120.4 Å²	120.4	65%	0.646	78%	0.779	S	S	*	*				-175.3	157	129.9	-100.7	168.1	0	0	0	113.3	L376	L376-I393 HydrophobicContact CD1-CD1 3.49Å; L376-I393 VanDerWaalsContact CD1-CD1 3.49Å; L376-I393 HydrophobicContact CD2-CD1 4.19Å; L376-I393 HydrophobicContact CG-CD1 4.5Å
394	T	26.1	Very low	29.8	Very low	112 Å²	112	118.4 Å²	118.4	69%	0.687	78%	0.777	S	S	*	*			trans	-61.3	171.7	178	51.3	0	0	0	0	115.1
395	L	33.5	Very low	29.9	Very low	160 Å²	160	121.7 Å²	121.7	84%	0.838	77%	0.77	S	S	*	*			cis	-167.3	144.4	3.4	-125.6	162.2	0	0	0	108.6
396	A	26.8	Very low	30	Very low	96 Å²	96	124.7 Å²	124.7	79%	0.793	77%	0.769	S	S	*	*			trans	-167.2	130.7	152.8	0	0	0	0	0	115.6
397	V	30	Very low	29.8	Very low	137 Å²	137	130.4 Å²	130.4	83%	0.83	78%	0.778	S	S	*	*			trans	1.1	127	150.1	-179.1	0	0	0	0	120.8
398	A	25.5	Very low	30.3	Very low	100 Å²	100	130.1 Å²	130.1	83%	0.826	78%	0.778	S	S	*	*			trans	30.4	134.5	145.2	0	0	0	0	0	123
399	G	27.2	Very low	30	Very low	67 Å²	67	131.2 Å²	131.2	69%	0.691	78%	0.778	S	S	*	*			trans	141.6	105.1	138.7	0	0	0	0	0	118.5
400	V	30.5	Very low	30	Very low	139 Å²	139	132.3 Å²	132.3	84%	0.842	78%	0.78	S	S	*	*			trans	67.2	145.1	146.8	-170	0	0	0	0	118.8
401	T	32.6	Very low	29.7	Very low	138 Å²	138	132.8 Å²	132.8	85%	0.847	78%	0.78	S	S	*	*			trans	-68.3	146.9	174.8	47.8	0	0	0	0	112.9
402	N	27.3	Very low	30.4	Very low	142 Å²	142	131.9 Å²	131.9	76%	0.759	77%	0.771	S	S	*	*			trans	-127.4	168.1	-171.2	-135.1	-63.6	0	0	0	115.1
403	H	32.5	Very low	29.9	Very low	174 Å²	174	135.4 Å²	135.4	81%	0.806	78%	0.777	S	S	*	*			trans	82.2	129.1	-175.7	-59	-69.4	0	0	0	117.3
404	G	28.8	Very low	29.6	Very low	70 Å²	70	133.8 Å²	133.8	72%	0.722	78%	0.783	S	S	*	*			cis	-171.5	-174	-4.3	0	0	0	0	0	111.2
405	Q	32.2	Very low	29.5	Very low	149 Å²	149	132.8 Å²	132.8	70%	0.696	79%	0.786	S	S	*	*			cis	-152.6	152.2	4	-72.9	-165	8.1	0	0	113
406	K	30.4	Very low	29.9	Very low	173 Å²	173	131.4 Å²	131.4	75%	0.752	79%	0.786	S	S	*	*			trans	65.4	115.7	142.4	-71.5	167.2	-175.6	158	0	123.8
407	R	27.1	Very low	30.1	Very low	240 Å²	240	135.2 Å²	135.2	91%	0.906	79%	0.788	S	S	*	*			trans	88.1	142.6	135.7	-85.3	-174	169.1	146.7	-0.6	121.6
408	P	40.9	Very low	30.6	Very low	114 Å²	114	131.2 Å²	131.2	74%	0.74	77%	0.765	S	S	*	*			trans	-123.1	-179.2	-174.4	45.7	-33.9	0	0	0	115
409	L	27.4	Very low	30.9	Very low	159 Å²	159	132.9 Å²	132.9	83%	0.832	75%	0.753	S	S	*	*				177	160.3	118.6	-159.1	66.5	0	0	0	113.5
410	V	26.1	Very low	31.2	Very low	128 Å²	128	140.6 Å²	140.6	78%	0.776	76%	0.761	S	S	*	*			trans	88.7	140	159	-158.1	0	0	0	0	119.9
411	T	22.3	Very low	31.4	Very low	134 Å²	134	138.8 Å²	138.8	82%	0.822	75%	0.753	S	S	*	*			trans	-113.4	-148.7	-179.3	0.9	0	0	0	0	109.8
412	P	42.7	Very low	31.3	Very low	97 Å²	97	140.2 Å²	140.2	63%	0.63	75%	0.749	S	S	*	*			cis	-133.5	177.8	-14.9	40.9	-23.2	0	0	0	116.9
413	Q	25.9	Very low	31.4	Very low	188 Å²	188	140.4 Å²	140.4	88%	0.879	75%	0.749	S	S	*	*			trans	63.9	158.2	147.5	-82.2	172.3	-104.8	0	0	121
414	A	27	Very low	31.1	Very low	92 Å²	92	135.8 Å²	135.8	76%	0.76	74%	0.741	S	S	*	*			cis	-157	-177	-10.5	0	0	0	0	0	111.5
415	A	23.8	Very low	31	Very low	91 Å²	91	141.9 Å²	141.9	75%	0.752	75%	0.75	S	S	*	*			trans	-115.8	-168.6	-175.5	0	0	0	0	0	112.2
416	P	41.1	Very low	30.8	Very low	131 Å²	131	141.1 Å²	141.1	85%	0.851	76%	0.756	S	S	*	*			cis	-143.7	-162.6	7.6	43.9	-20.8	0	0	0	118.6
417	E	30	Very low	31.1	Very low	176 Å²	176	139 Å²	139	82%	0.822	76%	0.76	S	S	*	*			trans	-62.6	173.1	179.7	-102	-173.8	102	0	0	118.9
418	P	42.3	Very low	31.1	Very low	53 Å²	53	136 Å²	136	34%	0.344	76%	0.756	S	S	.	*				-168.9	174.7	59.6	47	-23.3	0	0	0	125.1	E824 S825	P418-E824 CarbonylContact O-C 3.43Å; P418-E824 WeakPolarHBondContact O-CA 3.43Å; P418-S825 PolarHBondContact O-N 2.73Å
419	K	31.2	Very low	31.1	Very low	136 Å²	136	135.5 Å²	135.5	59%	0.591	75%	0.753	S	S	*	*			trans	82.1	169.5	143	-77.8	158	-170.4	171.7	0	123.6
420	R	32.6	Very low	32	Very low	228 Å²	228	133.2 Å²	133.2	86%	0.86	75%	0.747	S	S	*	*			trans	-165.8	147.1	-155.9	-176.5	-173.2	-176	162.9	6.3	117.6
421	P	35.9	Very low	32.8	Very low	101 Å²	101	132.5 Å²	132.5	66%	0.656	75%	0.746	S	S	*	*			trans	-95.1	-177.1	168.6	-10.1	30.1	0	0	0	119
422	H	30.3	Very low	33.3	Very low	168 Å²	168	136.4 Å²	136.4	78%	0.778	75%	0.751	S	S	*	*			trans	-162.8	156.6	-168.4	-173	-129.2	0	0	0	118.9
423	I	28.6	Very low	33.2	Very low	147 Å²	147	138.6 Å²	138.6	75%	0.754	76%	0.763	S	S	*	*			trans	78	150.9	161	-113.3	172.1	0	0	0	118.6
424	A	25.8	Very low	33.5	Very low	77 Å²	77	134.1 Å²	134.1	64%	0.636	76%	0.757	S	S	*	*			cis	-158.4	175.4	21.1	0	0	0	0	0	118
425	Q	26.7	Very low	34	Very low	197 Å²	197	136.9 Å²	136.9	92%	0.921	76%	0.759	S	S	*	*			trans	86.3	162.6	153.1	-79	180	12.4	0	0	123.6
426	V	28.3	Very low	34.9	Very low	134 Å²	134	138.1 Å²	138.1	81%	0.812	76%	0.76	S	S	*	*			trans	-155.3	140.7	-147.2	160.1	0	0	0	0	111.9
427	P	37.6	Very low	34.9	Very low	129 Å²	129	137 Å²	137	84%	0.838	75%	0.753	S	S	*	*				-151.3	169	114.6	36.5	-16.6	0	0	0	118.3
428	E	25.8	Very low	35.5	Very low	175 Å²	175	134.8 Å²	134.8	82%	0.818	75%	0.754	S	S	*	*			trans	-85.7	-176	176.3	-120.5	-168.4	94.2	0	0	112.9
429	P	42.5	Very low	35.2	Very low	104 Å²	104	138.5 Å²	138.5	68%	0.675	78%	0.775	S	S	*	*			cis	-136.1	-138.5	1.2	31.8	-3.8	0	0	0	114.2
430	P	45.6	Very low	35.7	Very low	111 Å²	111	137.8 Å²	137.8	72%	0.721	78%	0.784	S	S	*	*				-121	-145.7	-89.7	41.1	-22.4	0	0	0	114.7
431	P	43.4	Very low	36.1	Very low	114 Å²	114	132.4 Å²	132.4	74%	0.74	79%	0.789	S	S	*	*				-125.9	163.2	-103.8	40.8	-23.4	0	0	0	116.5
432	K	31.5	Very low	36.1	Very low	216 Å²	216	133 Å²	133	94%	0.939	80%	0.795	S	S	*	*			trans	-141	149.6	156.4	-73.2	-164.6	177.5	178.1	0	112.7
433	V	42.3	Very low	36.3	Very low	143 Å²	143	130.2 Å²	130.2	87%	0.867	79%	0.786	S	S	*	*			trans	-84.5	139.5	-169.6	179.6	0	0	0	0	112.1
434	A	31.4	Very low	37.6	Very low	93 Å²	93	135 Å²	135	77%	0.769	80%	0.795	S	S	*	*			trans	-139.9	140.2	165.8	0	0	0	0	0	110.4
435	N	38.4	Very low	39.5	Very low	150 Å²	150	138.4 Å²	138.4	80%	0.802	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-77.1	145.7	178.1	-67.2	-40.8	0	0	0	111.2
436	P	41.7	Very low	42.1	Very low	118 Å²	118	131.5 Å²	131.5	77%	0.766	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-68.4	143.2	168.4	29.7	-33.9	0	0	0	111
437	P	41.6	Very low	44.9	Very low	108 Å²	108	128.9 Å²	128.9	70%	0.701	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-74.3	158.9	-179.7	31	-35.9	0	0	0	112.6	T439	P437-T439 PolarHBondContact O-N 3.1Å
438	P	41.6	Very low	47.1	Very low	129 Å²	129	127.2 Å²	127.2	84%	0.838	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-65.4	129.7	177.2	27.6	-34.7	0	0	0	111.5
439	T	37.6	Very low	49.9	Very low	131 Å²	131	121.8 Å²	121.8	80%	0.804	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-78.2	149	178.7	44.5	0	0	0	0	112.2	P437	P437-T439 PolarHBondContact O-N 3.1Å
440	P	40.3	Very low	52.2	Low	120 Å²	120	118.8 Å²	118.8	78%	0.779	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-70.8	158.7	-177.6	29.4	-35.6	0	0	0	112.7	S442	P440-S442 PolarHBondContact O-N 2.72Å; P440-S442 VanDerWaalsContact O-N 3.07Å
441	A	41.9	Very low	54.3	Low	116 Å²	116	115.9 Å²	115.9	96%	0.959	66%	0.656	S	S	*	*			trans	-58.9	108.6	-169.6	0	0	0	0	0	114
442	S	35.2	Very low	56.5	Low	112 Å²	112	111 Å²	111	78%	0.783	63%	0.625	S	S	*	*			trans	-112.9	129.8	168.7	-170.5	0	0	0	0	110.4	P440	P440-S442 PolarHBondContact O-N 2.72Å; P440-S442 VanDerWaalsContact O-N 3.07Å
443	D	34	Very low	59.3	Low	111 Å²	111	104.7 Å²	104.7	59%	0.594	60%	0.599	S	S	*	*			trans	44	113.9	170.9	-126.8	-33.3	0	0	0	118.6	K445	D443-K445 PolarHBondContact O-N 3.22Å; D443-K445 IonicContact OD1-NZ 3.87Å; D443-K445 PolarHBondContact OD1-NZ 3.24Å; D443-K445 IonicContact OD2-NZ 3Å; D443-K445 PolarHBondContact OD2-NZ 3.32Å
444	R	55.7	Low	61.7	Low	246 Å²	246	97.9 Å²	97.9	93%	0.928	56%	0.557	S	S	*	*			trans	-71.2	23	179.1	-68.3	178.8	172.7	160.5	-2.2	114.7
445	K	65.7	Low	64.5	Low	150 Å²	150	95.1 Å²	95.1	65%	0.652	53%	0.528	S	S	*	.			trans	-92.2	106.8	179.7	-62.6	-174.4	-170.5	81	0	109.7	D443 T447	D443-K445 PolarHBondContact O-N 3.22Å; D443-K445 IonicContact OD1-NZ 3.87Å; D443-K445 PolarHBondContact OD1-NZ 3.24Å; D443-K445 IonicContact OD2-NZ 3Å; D443-K445 PolarHBondContact OD2-NZ 3.32Å; K445-T447 PolarHBondContact O-N 2.99Å
446	K	82.3	Confident	66.9	Low	52 Å²	52	90.1 Å²	90.1	23%	0.226	51%	0.507	C	S	.	.			trans	-57.2	123.7	174.9	-73	162.6	175.1	44.8	0	109.9	I451 L478 E482	K446-I451 HydrophobicContact CB-CD1 4.02Å; K446-I451 HydrophobicContact CB-CG1 3.82Å; K446-I451 VanDerWaalsContact O-CD1 3.31Å; K446-I451 WeakPolarHBondContact O-CD1 3.26Å; K446-L478 HydrophobicContact CD-CD1 4.18Å; K446-L478 HydrophobicContact CG-CD1 4.11Å; K446-L478 HydrophobicContact CG-CD2 4.05Å; K446-E482 IonicContact NZ-OE1 2.63Å; K446-E482 PolarHBondContact NZ-OE1 2.94Å; K446-E482 IonicContact NZ-OE2 2.68Å
447	T	87.6	Confident	69.2	Low	79 Å²	79	84.7 Å²	84.7	49%	0.485	47%	0.472	S	S	.	.			trans	-59.8	146.7	-178.6	-56	0	0	0	0	110.1	K445 E449 Q450 I451	K445-T447 PolarHBondContact O-N 2.99Å; T447-E449 HydrophobicContact CG2-CB 4.39Å; T447-E449 HydrophobicContact CG2-CG 4.38Å; T447-E449 PolarHBondContact O-N 2.83Å; T447-E449 VanDerWaalsContact O-N 3.11Å; T447-Q450 WeakPolarHBondContact O-CB 3.48Å; T447-Q450 PolarHBondContact O-N 3.22Å; T447-I451 PolarHBondContact O-N 3.24Å
448	K	83.3	Confident	71.5	Confident	94 Å²	94	79.9 Å²	79.9	41%	0.409	44%	0.441	S	S	.	.	H	α-helix	trans	-52.3	-37	179.4	-170.8	180	178.6	178.1	0	112.7	I451 A452 A512 I513	K448-I451 PolarHBondContact O-N 3.04Å; K448-A452 WeakPolarHBondContact O-CB 3.16Å; K448-A452 PolarHBondContact O-N 3.06Å; K448-A512 PolarHBondContact NZ-O 3Å; K448-I513 HydrophobicContact CD-CG1 3.96Å; K448-I513 HydrophobicContact CG-CD1 4.21Å; K448-I513 HydrophobicContact CG-CG1 4.04Å
449	E	85.1	Confident	73.7	Confident	61 Å²	61	77.6 Å²	77.6	29%	0.285	42%	0.421	S	S	.	.	H	α-helix	trans	-68.4	-45.8	177	-50.9	-166.5	153.3	0	0	112.4	T447 I451 A452 H453 I513 R517	T447-E449 HydrophobicContact CG2-CB 4.39Å; T447-E449 HydrophobicContact CG2-CG 4.38Å; T447-E449 PolarHBondContact O-N 2.83Å; T447-E449 VanDerWaalsContact O-N 3.11Å; E449-I451 VanDerWaalsContact C-N 3.29Å; E449-I451 PolarHBondContact O-N 3.49Å; E449-A452 WeakPolarHBondContact O-CB 3.29Å; E449-A452 PolarHBondContact O-N 2.85Å; E449-A452 VanDerWaalsContact O-N 3.09Å; E449-H453 PolarHBondContact O-CD2 3.43Å; E449-H453 PolarHBondContact O-N 3.33Å; E449-I513 HydrophobicContact CG-CD1 4.15Å; E449-I513 HydrophobicContact CG-CG1 4.21Å; E449-I513 HydrophobicContact CG-CG2 3.93Å; E449-I513 VanDerWaalsContact OE1-CG2 3.26Å; E449-I513 WeakPolarHBondContact OE1-CG2 3.34Å; E449-R517 IonicContact OE1-CZ 3.74Å; E449-R517 VanDerWaalsContact OE1-CZ 3.28Å; E449-R517 IonicContact OE1-NE 3.78Å; E449-R517 PolarHBondContact OE1-NE 3.27Å; E449-R517 IonicContact OE1-NH2 3.94Å; E449-R517 PolarHBondContact OE1-NH2 3.27Å; E449-R517 IonicContact OE2-CZ 2.73Å; E449-R517 IonicContact OE2-NH2 3.28Å; E449-R517 PolarHBondContact OE2-NH2 3.5Å
450	Q	89.9	Confident	75.9	Confident	41 Å²	41	79.4 Å²	79.4	19%	0.192	42%	0.42	C	S	.	.	H	α-helix	trans	-56.8	-44.3	172	-64.5	172	-32.5	0	0	111.1	T447 A452 H453 L454 T476 L478	T447-Q450 WeakPolarHBondContact O-CB 3.48Å; T447-Q450 PolarHBondContact O-N 3.22Å; Q450-A452 VanDerWaalsContact C-N 3.34Å; Q450-A452 PolarHBondContact O-N 3.06Å; Q450-H453 PolarHBondContact O-N 3.33Å; Q450-L454 VanDerWaalsContact O-CG 3.28Å; Q450-L454 WeakPolarHBondContact O-CG 3.25Å; Q450-L454 PolarHBondContact O-N 2.83Å; Q450-T476 HydrophobicContact CB-CG2 4.4Å; Q450-T476 WeakPolarHBondContact CG-O 3.39Å; Q450-T476 PolarHBondContact NE2-O 3.25Å; Q450-L478 HydrophobicContact CB-CD1 4.23Å
451	I	89.4	Confident	78	Confident	50 Å²	50	76.1 Å²	76.1	26%	0.256	40%	0.4	S	S	.	.	H	α-helix	trans	-64	-38.7	176.7	-65.2	173.9	0	0	0	111.1	K446 T447 K448 E449 L454 K455	K446-I451 HydrophobicContact CB-CD1 4.02Å; K446-I451 HydrophobicContact CB-CG1 3.82Å; K446-I451 VanDerWaalsContact O-CD1 3.31Å; K446-I451 WeakPolarHBondContact O-CD1 3.26Å; T447-I451 PolarHBondContact O-N 3.24Å; K448-I451 PolarHBondContact O-N 3.04Å; E449-I451 VanDerWaalsContact C-N 3.29Å; E449-I451 PolarHBondContact O-N 3.49Å; I451-L454 PolarHBondContact O-N 2.92Å; I451-K455 HydrophobicContact CG2-CD 4.15Å; I451-K455 HydrophobicContact CG2-CG 4.15Å; I451-K455 WeakPolarHBondContact O-CB 3.49Å; I451-K455 VanDerWaalsContact O-CG 3.29Å; I451-K455 WeakPolarHBondContact O-CG 3.44Å; I451-K455 PolarHBondContact O-N 2.69Å
452	A	90.1	Very high	80.2	Confident	11 Å²	11	75.3 Å²	75.3	9%	0.091	38%	0.376	C	S	.	.	H	α-helix	trans	-63.3	-44.2	177.1	0	0	0	0	0	112	K448 E449 Q450 K455 A456 I513	K448-A452 WeakPolarHBondContact O-CB 3.16Å; K448-A452 PolarHBondContact O-N 3.06Å; E449-A452 WeakPolarHBondContact O-CB 3.29Å; E449-A452 PolarHBondContact O-N 2.85Å; E449-A452 VanDerWaalsContact O-N 3.09Å; Q450-A452 VanDerWaalsContact C-N 3.34Å; Q450-A452 PolarHBondContact O-N 3.06Å; A452-K455 PolarHBondContact O-N 3.3Å; A452-A456 WeakPolarHBondContact O-CB 3.27Å; A452-A456 PolarHBondContact O-N 3.19Å; A452-I513 HydrophobicContact CB-CD1 3.68Å
453	H	89.9	Confident	82.7	Confident	83 Å²	83	76.6 Å²	76.6	38%	0.384	37%	0.368	S	S	.	.	H	α-helix	trans	-63	-41.5	174.6	-70.4	-64.9	0	0	0	112.7	E449 Q450 A456 S457 V475 T476	E449-H453 PolarHBondContact O-CD2 3.43Å; E449-H453 PolarHBondContact O-N 3.33Å; Q450-H453 PolarHBondContact O-N 3.33Å; H453-A456 PolarHBondContact O-N 3.22Å; H453-S457 WeakPolarHBondContact O-CB 3.24Å; H453-S457 PolarHBondContact O-N 3.36Å; H453-V475 HydrophobicContact CB-CG1 4.24Å; H453-T476 HydrophobicContact CB-CG2 3.93Å
454	L	92.6	Very high	85.4	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-63	-43.7	174.4	-69.8	168.9	0	0	0	112.3	Q450 I451 F458 L472 T476 L478 I483 W486 F487	Q450-L454 VanDerWaalsContact O-CG 3.28Å; Q450-L454 WeakPolarHBondContact O-CG 3.25Å; Q450-L454 PolarHBondContact O-N 2.83Å; I451-L454 PolarHBondContact O-N 2.92Å; L454-F458 WeakPolarHBondContact O-CB 3.39Å; L454-F458 PolarHBondContact O-N 2.83Å; L454-L472 HydrophobicContact CD2-CD1 4.23Å; L454-L472 HydrophobicContact CD2-CD2 4.28Å; L454-T476 HydrophobicContact CG-CG2 4.48Å; L454-L478 HydrophobicContact CD1-CD1 3.8Å; L454-I483 HydrophobicContact CD2-CG1 4.26Å; L454-I483 HydrophobicContact CD2-CG2 4.05Å; L454-W486 HydrophobicContact CB-CD2 3.97Å; L454-W486 HydrophobicContact CB-CE3 3.84Å; L454-W486 HydrophobicContact CB-CH2 3.84Å; L454-W486 HydrophobicContact CB-CZ2 3.92Å; L454-W486 HydrophobicContact CB-CZ3 3.79Å; L454-W486 HydrophobicContact CD1-CB 4.49Å; L454-W486 HydrophobicContact CD1-CD2 3.92Å; L454-W486 HydrophobicContact CD1-CE3 4.43Å; L454-W486 HydrophobicContact CD1-CG 3.9Å; L454-W486 HydrophobicContact CD2-CE3 4.34Å; L454-W486 HydrophobicContact CG-CD2 4.39Å; L454-W486 HydrophobicContact CG-CE3 4.44Å; L454-F487 HydrophobicContact CD2-CD2 4.44Å; L454-F487 HydrophobicContact CD2-CE2 3.77Å
455	K	90.2	Very high	87	Confident	35 Å²	35	65.5 Å²	65.5	15%	0.152	33%	0.328	C	S	.	.	H	α-helix	trans	-66.1	-36.4	176	-72.2	-177.3	177.5	-175.1	0	112.8	I451 A452 F458 L459 W486 I501 L506 D509	I451-K455 HydrophobicContact CG2-CD 4.15Å; I451-K455 HydrophobicContact CG2-CG 4.15Å; I451-K455 WeakPolarHBondContact O-CB 3.49Å; I451-K455 VanDerWaalsContact O-CG 3.29Å; I451-K455 WeakPolarHBondContact O-CG 3.44Å; I451-K455 PolarHBondContact O-N 2.69Å; A452-K455 PolarHBondContact O-N 3.3Å; K455-F458 PolarHBondContact O-N 2.86Å; K455-L459 PolarHBondContact O-N 3.4Å; K455-W486 HydrophobicContact CG-CH2 4.05Å; K455-W486 HydrophobicContact CG-CZ2 3.96Å; K455-I501 HydrophobicContact CB-CD1 3.97Å; K455-I501 HydrophobicContact CD-CD1 4.45Å; K455-I501 HydrophobicContact CG-CD1 3.74Å; K455-I501 HydrophobicContact CG-CG1 4.36Å; K455-L506 HydrophobicContact CB-CD2 3.47Å; K455-L506 VanDerWaalsContact CB-CD2 3.47Å; K455-L506 HydrophobicContact CD-CD2 4.33Å; K455-D509 WeakPolarHBondContact CD-OD2 3.21Å; K455-D509 IonicContact NZ-OD2 2.8Å; K455-D509 PolarHBondContact NZ-OD2 2.76Å
456	A	88.9	Confident	88.2	Confident	45 Å²	45	61.7 Å²	61.7	37%	0.372	32%	0.315	S	S	.	.	H	α-helix	trans	-65.5	-48.8	177.1	0	0	0	0	0	110.6	A452 H453 F458 L459 Q460 L506	A452-A456 WeakPolarHBondContact O-CB 3.27Å; A452-A456 PolarHBondContact O-N 3.19Å; H453-A456 PolarHBondContact O-N 3.22Å; A456-F458 VanDerWaalsContact C-N 3.31Å; A456-F458 PolarHBondContact O-N 3.46Å; A456-L459 PolarHBondContact O-N 2.95Å; A456-Q460 PolarHBondContact O-N 2.83Å; A456-L506 HydrophobicContact CB-CD1 4.28Å
457	S	90.9	Very high	88.7	Confident	4 Å²	4	62.5 Å²	62.5	3%	0.028	33%	0.332	C	S	.	.	H	α-helix	trans	-57.6	-40.6	171.9	178.2	0	0	0	0	112.4	H453 L459 Q460 S461 E468 F487	H453-S457 WeakPolarHBondContact O-CB 3.24Å; H453-S457 PolarHBondContact O-N 3.36Å; S457-L459 VanDerWaalsContact C-N 3.27Å; S457-L459 PolarHBondContact O-N 3.49Å; S457-Q460 CarbonylContact O-C 3.6Å; S457-Q460 WeakPolarHBondContact O-CA 3.29Å; S457-Q460 VanDerWaalsContact O-CB 3.28Å; S457-Q460 WeakPolarHBondContact O-CB 3.48Å; S457-Q460 PolarHBondContact O-N 3.49Å; S457-S461 PolarHBondContact O-N 3.05Å; S457-E468 WeakPolarHBondContact CB-OE1 3.36Å; S457-E468 PolarHBondContact OG-OE1 2.95Å; S457-F487 WeakPolarHBondContact OG-CZ 3.31Å
458	F	90.4	Very high	88.9	Confident	8 Å²	8	60.5 Å²	60.5	4%	0.035	32%	0.317	C	S	.	.	H	α-helix	trans	-60.6	-30.6	177.1	-166.5	-87.8	0	0	0	114.4	L454 K455 A456 S461 Q462 W486 F487 H490 R491 I501	L454-F458 WeakPolarHBondContact O-CB 3.39Å; L454-F458 PolarHBondContact O-N 2.83Å; K455-F458 PolarHBondContact O-N 2.86Å; A456-F458 VanDerWaalsContact C-N 3.31Å; A456-F458 PolarHBondContact O-N 3.46Å; F458-S461 WeakPolarHBondContact CA-O 3.4Å; F458-S461 CarbonylContact O-C 3.56Å; F458-Q462 HydrophobicContact CD1-CG 4.27Å; F458-Q462 HydrophobicContact CE1-CB 4.41Å; F458-Q462 HydrophobicContact CE1-CG 3.78Å; F458-Q462 HydrophobicContact CE2-CB 4.13Å; F458-Q462 HydrophobicContact CE2-CG 4.38Å; F458-Q462 HydrophobicContact CZ-CB 3.99Å; F458-Q462 HydrophobicContact CZ-CG 3.83Å; F458-W486 HydrophobicContact CB-CH2 4.2Å; F458-W486 HydrophobicContact CB-CZ3 4.06Å; F458-W486 AromaticContact CD2-CZ3 3.99Å; F458-W486 HydrophobicContact CD2-CZ3 3.99Å; F458-W486 HydrophobicContact CG-CZ3 4.34Å; F458-F487 HydrophobicContact CB-CE1 4.03Å; F458-F487 AromaticContact CD2-CD1 3.6Å; F458-F487 HydrophobicContact CD2-CD1 3.6Å; F458-F487 AromaticContact CD2-CE1 3.81Å; F458-F487 HydrophobicContact CD2-CE1 3.81Å; F458-F487 HydrophobicContact CD2-CG 4.49Å; F458-F487 HydrophobicContact CE2-CD1 4.26Å; F458-F487 HydrophobicContact CG-CE1 4.38Å; F458-H490 HydrophobicContact CD2-CB 4.15Å; F458-H490 AromaticContact CE1-CD2 3.84Å; F458-H490 HydrophobicContact CE2-CB 3.79Å; F458-H490 AromaticContact CE2-CD2 4Å; F458-H490 HydrophobicContact CZ-CB 4.31Å; F458-H490 AromaticContact CZ-CD2 3.75Å; F458-R491 HydrophobicContact CE2-CG 3.8Å; F458-R491 HydrophobicContact CZ-CG 3.98Å; F458-I501 HydrophobicContact CB-CD1 4.12Å; F458-I501 HydrophobicContact CD1-CD1 3.76Å; F458-I501 HydrophobicContact CE1-CD1 4.49Å; F458-I501 HydrophobicContact CG-CD1 4.08Å
459	L	86.2	Confident	89.4	Confident	80 Å²	80	56 Å²	56	42%	0.419	30%	0.297	S	S	.	.	H	α-helix	trans	-78.7	-25.2	171.8	-66.3	-164.6	0	0	0	113	K455 A456 S457 I501 L506	K455-L459 PolarHBondContact O-N 3.4Å; A456-L459 PolarHBondContact O-N 2.95Å; S457-L459 VanDerWaalsContact C-N 3.27Å; S457-L459 PolarHBondContact O-N 3.49Å; L459-I501 HydrophobicContact CD1-CG2 4.05Å; L459-I501 HydrophobicContact CD2-CB 3.99Å; L459-I501 HydrophobicContact CD2-CG2 3.72Å; L459-I501 HydrophobicContact CG-CG2 3.85Å; L459-L506 HydrophobicContact CD1-CD1 3.5Å; L459-L506 VanDerWaalsContact CD1-CD1 3.5Å; L459-L506 HydrophobicContact CD1-CG 4.25Å; L459-L506 HydrophobicContact CG-CD1 4.05Å
460	Q	84.4	Confident	89.8	Confident	170 Å²	170	59 Å²	59	79%	0.794	31%	0.307	S	S	*	.	H	α-helix	trans	-73.5	-45.1	173	-160.6	76.9	70	0	0	111.1	A456 S457	A456-Q460 PolarHBondContact O-N 2.83Å; S457-Q460 CarbonylContact O-C 3.6Å; S457-Q460 WeakPolarHBondContact O-CA 3.29Å; S457-Q460 VanDerWaalsContact O-CB 3.28Å; S457-Q460 WeakPolarHBondContact O-CB 3.48Å; S457-Q460 PolarHBondContact O-N 3.49Å
461	S	85.4	Confident	90	Very high	50 Å²	50	61.8 Å²	61.8	35%	0.35	32%	0.316	S	S	.	.			trans	-154.2	132.9	168	-178.9	0	0	0	0	111.7	S457 F458 F463	S457-S461 PolarHBondContact O-N 3.05Å; F458-S461 WeakPolarHBondContact CA-O 3.4Å; F458-S461 CarbonylContact O-C 3.56Å; S461-F463 PolarHBondContact O-N 3.24Å; S461-F463 PolarHBondContact OG-N 3.08Å; S461-F463 VanDerWaalsContact OG-N 3.08Å; S461-F463 PolarHBondContact OG-O 3.28Å
462	Q	86.3	Confident	90.2	Very high	99 Å²	99	59.4 Å²	59.4	46%	0.463	30%	0.303	S	S	.	.	S	Bend	trans	-72.8	-14.5	171.9	-55.2	-175.5	25.1	0	0	112.6	F458 R491	F458-Q462 HydrophobicContact CD1-CG 4.27Å; F458-Q462 HydrophobicContact CE1-CB 4.41Å; F458-Q462 HydrophobicContact CE1-CG 3.78Å; F458-Q462 HydrophobicContact CE2-CB 4.13Å; F458-Q462 HydrophobicContact CE2-CG 4.38Å; F458-Q462 HydrophobicContact CZ-CB 3.99Å; F458-Q462 HydrophobicContact CZ-CG 3.83Å; Q462-R491 HydrophobicContact CB-CG 4.28Å; Q462-R491 WeakPolarHBondContact O-CD 3.49Å; Q462-R491 PolarHBondContact O-NH1 2.89Å
463	F	89.1	Confident	90.3	Very high	140 Å²	140	61.2 Å²	61.2	61%	0.614	31%	0.311	S	S	*	.	S	Bend	trans	-126.6	82.8	177.6	-63.4	-92.3	0	0	0	107.8	S461 D465 R491	S461-F463 PolarHBondContact O-N 3.24Å; S461-F463 PolarHBondContact OG-N 3.08Å; S461-F463 VanDerWaalsContact OG-N 3.08Å; S461-F463 PolarHBondContact OG-O 3.28Å; F463-D465 PolarHBondContact O-N 3.33Å; F463-R491 VanDerWaalsContact CE1-NE 3.31Å
464	P	89.9	Confident	90.4	Very high	22 Å²	22	64.7 Å²	64.7	14%	0.143	33%	0.327	C	S	.	.			trans	-65.6	135.1	179.4	29.1	-36.1	0	0	0	109.1	E468 V469 F487	P464-E468 HydrophobicContact CB-CB 4.12Å; P464-E468 HydrophobicContact CB-CG 3.69Å; P464-V469 HydrophobicContact CB-CG2 4.05Å; P464-V469 HydrophobicContact CG-CG2 3.94Å; P464-F487 HydrophobicContact CB-CE1 4.28Å; P464-F487 HydrophobicContact CB-CZ 4.36Å; P464-F487 HydrophobicContact CG-CD1 3.64Å; P464-F487 HydrophobicContact CG-CD2 4.01Å; P464-F487 HydrophobicContact CG-CE1 3.65Å; P464-F487 HydrophobicContact CG-CE2 4.05Å; P464-F487 HydrophobicContact CG-CG 3.82Å; P464-F487 HydrophobicContact CG-CZ 3.88Å
465	D	90.3	Very high	90.4	Very high	102 Å²	102	67.9 Å²	67.9	55%	0.545	35%	0.346	S	S	.	.			trans	-69.9	177.3	171	66.2	41	0	0	0	111	F463 A467 E468 V469	F463-D465 PolarHBondContact O-N 3.33Å; D465-A467 VanDerWaalsContact C-N 3.32Å; D465-A467 PolarHBondContact O-N 2.97Å; D465-A467 WeakPolarHBondContact OD1-CA 3.26Å; D465-A467 WeakPolarHBondContact OD1-CB 3.28Å; D465-A467 PolarHBondContact OD1-N 3.22Å; D465-E468 PolarHBondContact OD1-N 2.64Å; D465-V469 VanDerWaalsContact O-CG2 3.29Å; D465-V469 WeakPolarHBondContact O-CG2 3.36Å; D465-V469 PolarHBondContact O-N 2.87Å
466	D	91	Very high	90.4	Very high	69 Å²	69	66.6 Å²	66.6	37%	0.369	34%	0.342	S	S	.	.	H	α-helix	trans	-69	-28.8	-177.5	-94.3	-9.9	0	0	0	113.7	V469 Y470 R480 K484	D466-V469 PolarHBondContact O-N 2.93Å; D466-Y470 HydrophobicContact CB-CE2 4.49Å; D466-Y470 WeakPolarHBondContact O-CD2 3.36Å; D466-Y470 PolarHBondContact O-N 3.19Å; D466-R480 IonicContact OD1-CZ 2.89Å; D466-R480 VanDerWaalsContact OD1-CZ 3.29Å; D466-R480 IonicContact OD1-NH1 2.65Å; D466-R480 PolarHBondContact OD1-NH1 2.98Å; D466-R480 IonicContact OD1-NH2 2.61Å; D466-R480 PolarHBondContact OD1-NH2 3.43Å; D466-R480 IonicContact OD2-CZ 2.96Å; D466-R480 IonicContact OD2-NH1 3.52Å; D466-R480 IonicContact OD2-NH2 3.49Å; D466-R480 PolarHBondContact OD2-NH2 2.93Å; D466-K484 VanDerWaalsContact OD1-CE 3.31Å; D466-K484 WeakPolarHBondContact OD1-CE 3.43Å; D466-K484 IonicContact OD1-NZ 3.81Å; D466-K484 PolarHBondContact OD1-NZ 2.87Å
467	A	92.3	Very high	90.4	Very high	70 Å²	70	67.6 Å²	67.6	58%	0.579	36%	0.356	S	S	*	.	H	α-helix	trans	-71.2	-44.7	177.3	0	0	0	0	0	111.3	D465 V469 Y470 R471	D465-A467 VanDerWaalsContact C-N 3.32Å; D465-A467 PolarHBondContact O-N 2.97Å; D465-A467 WeakPolarHBondContact OD1-CA 3.26Å; D465-A467 WeakPolarHBondContact OD1-CB 3.28Å; D465-A467 PolarHBondContact OD1-N 3.22Å; A467-V469 VanDerWaalsContact C-N 3.29Å; A467-V469 PolarHBondContact O-N 3.26Å; A467-Y470 PolarHBondContact O-N 3.13Å; A467-Y470 VanDerWaalsContact O-N 3.11Å; A467-R471 PolarHBondContact O-N 3.38Å
468	E	92.1	Very high	90.5	Very high	36 Å²	36	68 Å²	68	17%	0.168	36%	0.358	C	S	.	.	H	α-helix	trans	-62.9	-35.9	172.8	175.8	61.6	-179.9	0	0	111.4	S457 P464 D465 R471 L472	S457-E468 WeakPolarHBondContact CB-OE1 3.36Å; S457-E468 PolarHBondContact OG-OE1 2.95Å; P464-E468 HydrophobicContact CB-CB 4.12Å; P464-E468 HydrophobicContact CB-CG 3.69Å; D465-E468 PolarHBondContact OD1-N 2.64Å; E468-R471 PolarHBondContact O-N 3.27Å; E468-R471 IonicContact OE1-CZ 3.27Å; E468-R471 IonicContact OE1-NE 2.72Å; E468-R471 IonicContact OE1-NH2 3.01Å; E468-R471 PolarHBondContact OE1-NH2 3.14Å; E468-R471 IonicContact OE2-CZ 3.71Å; E468-R471 VanDerWaalsContact OE2-CZ 3.27Å; E468-R471 IonicContact OE2-NE 3.89Å; E468-R471 PolarHBondContact OE2-NE 2.88Å; E468-R471 IonicContact OE2-NH2 2.95Å; E468-R471 PolarHBondContact OE2-NH2 3.41Å; E468-L472 HydrophobicContact CG-CD1 4.34Å; E468-L472 WeakPolarHBondContact O-CB 3.41Å; E468-L472 VanDerWaalsContact O-CG 3.25Å; E468-L472 WeakPolarHBondContact O-CG 3.42Å; E468-L472 PolarHBondContact O-N 3.48Å
469	V	92.5	Very high	90.6	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-64.8	-39.8	171.2	170.1	0	0	0	0	111.7	P464 D465 D466 A467 L472 I473 R480 I483 K484	P464-V469 HydrophobicContact CB-CG2 4.05Å; P464-V469 HydrophobicContact CG-CG2 3.94Å; D465-V469 VanDerWaalsContact O-CG2 3.29Å; D465-V469 WeakPolarHBondContact O-CG2 3.36Å; D465-V469 PolarHBondContact O-N 2.87Å; D466-V469 PolarHBondContact O-N 2.93Å; A467-V469 VanDerWaalsContact C-N 3.29Å; A467-V469 PolarHBondContact O-N 3.26Å; V469-L472 PolarHBondContact O-N 3.14Å; V469-I473 HydrophobicContact CG1-CD1 4.35Å; V469-I473 VanDerWaalsContact O-CG1 3.3Å; V469-I473 WeakPolarHBondContact O-CG1 3.34Å; V469-I473 PolarHBondContact O-N 3.26Å; V469-R480 HydrophobicContact CG1-CG 3.91Å; V469-I483 HydrophobicContact CG1-CG2 4.44Å; V469-I483 HydrophobicContact CG2-CG2 4.38Å; V469-K484 HydrophobicContact CG1-CG 4.48Å; V469-K484 HydrophobicContact CG2-CG 4.29Å
470	Y	93.4	Very high	90.9	Very high	124 Å²	124	69.9 Å²	69.9	49%	0.486	37%	0.37	S	S	.	.	H	α-helix	trans	-64.9	-46.8	174.1	-76	-65.8	0	0	0	112.2	D466 A467 L472 I473 E474	D466-Y470 HydrophobicContact CB-CE2 4.49Å; D466-Y470 WeakPolarHBondContact O-CD2 3.36Å; D466-Y470 PolarHBondContact O-N 3.19Å; A467-Y470 PolarHBondContact O-N 3.13Å; A467-Y470 VanDerWaalsContact O-N 3.11Å; Y470-L472 PolarHBondContact O-N 3.2Å; Y470-I473 HydrophobicContact CD1-CD1 3.95Å; Y470-I473 HydrophobicContact CE1-CD1 4.36Å; Y470-I473 WeakPolarHBondContact O-CA 3.45Å; Y470-I473 WeakPolarHBondContact O-CB 3.39Å; Y470-I473 PolarHBondContact O-N 3.42Å; Y470-E474 PolarHBondContact O-N 3.16Å
471	R	94.8	Very high	91.1	Very high	100 Å²	100	65.9 Å²	65.9	38%	0.377	36%	0.361	S	S	.	.	H	α-helix	trans	-58.3	-34.4	174.7	-163.7	-163.9	63.1	68.7	3.1	112.4	A467 E468 V475	A467-R471 PolarHBondContact O-N 3.38Å; E468-R471 PolarHBondContact O-N 3.27Å; E468-R471 IonicContact OE1-CZ 3.27Å; E468-R471 IonicContact OE1-NE 2.72Å; E468-R471 IonicContact OE1-NH2 3.01Å; E468-R471 PolarHBondContact OE1-NH2 3.14Å; E468-R471 IonicContact OE2-CZ 3.71Å; E468-R471 VanDerWaalsContact OE2-CZ 3.27Å; E468-R471 IonicContact OE2-NE 3.89Å; E468-R471 PolarHBondContact OE2-NE 2.88Å; E468-R471 IonicContact OE2-NH2 2.95Å; E468-R471 PolarHBondContact OE2-NH2 3.41Å; R471-V475 WeakPolarHBondContact O-CB 3.34Å; R471-V475 VanDerWaalsContact O-CG2 3.31Å; R471-V475 WeakPolarHBondContact O-CG2 3.08Å; R471-V475 PolarHBondContact O-N 3.24Å
472	L	93.1	Very high	91.5	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-72.6	-32.4	173	-76.5	171	0	0	0	113.5	L454 E468 V469 Y470 T476 I483 F487	L454-L472 HydrophobicContact CD2-CD1 4.23Å; L454-L472 HydrophobicContact CD2-CD2 4.28Å; E468-L472 HydrophobicContact CG-CD1 4.34Å; E468-L472 WeakPolarHBondContact O-CB 3.41Å; E468-L472 VanDerWaalsContact O-CG 3.25Å; E468-L472 WeakPolarHBondContact O-CG 3.42Å; E468-L472 PolarHBondContact O-N 3.48Å; V469-L472 PolarHBondContact O-N 3.14Å; Y470-L472 PolarHBondContact O-N 3.2Å; L472-T476 HydrophobicContact CD2-CG2 4.41Å; L472-T476 VanDerWaalsContact O-CB 3.31Å; L472-T476 WeakPolarHBondContact O-CB 3.47Å; L472-T476 WeakPolarHBondContact O-CG2 3.27Å; L472-T476 PolarHBondContact O-N 3.35Å; L472-T476 PolarHBondContact O-OG1 2.9Å; L472-I483 HydrophobicContact CB-CD1 3.97Å; L472-I483 HydrophobicContact CB-CG2 4.28Å; L472-I483 HydrophobicContact CD1-CG2 3.92Å; L472-F487 HydrophobicContact CD1-CE2 3.68Å; L472-F487 HydrophobicContact CD1-CZ 3.9Å
473	I	93.1	Very high	91.8	Very high	49 Å²	49	62.1 Å²	62.1	25%	0.251	34%	0.338	S	S	.	.	H	α-helix	trans	-62.1	-47.1	171.6	-66.2	162.2	0	0	0	109.2	V469 Y470 G477 R480 I483	V469-I473 HydrophobicContact CG1-CD1 4.35Å; V469-I473 VanDerWaalsContact O-CG1 3.3Å; V469-I473 WeakPolarHBondContact O-CG1 3.34Å; V469-I473 PolarHBondContact O-N 3.26Å; Y470-I473 HydrophobicContact CD1-CD1 3.95Å; Y470-I473 HydrophobicContact CE1-CD1 4.36Å; Y470-I473 WeakPolarHBondContact O-CA 3.45Å; Y470-I473 WeakPolarHBondContact O-CB 3.39Å; Y470-I473 PolarHBondContact O-N 3.42Å; I473-G477 VanDerWaalsContact O-CA 3.27Å; I473-G477 WeakPolarHBondContact O-CA 3.43Å; I473-G477 PolarHBondContact O-N 3.12Å; I473-R480 HydrophobicContact CD1-CB 3.66Å; I473-R480 HydrophobicContact CD1-CG 4.13Å; I473-R480 HydrophobicContact CG1-CB 4.47Å; I473-I483 HydrophobicContact CB-CD1 4.29Å; I473-I483 HydrophobicContact CG1-CD1 3.51Å
474	E	92.6	Very high	91.9	Very high	156 Å²	156	59.4 Å²	59.4	73%	0.729	33%	0.326	S	S	*	.	H	α-helix	trans	-61.2	-49.7	178.4	-66.2	167.8	173.1	0	0	112.3	Y470	Y470-E474 PolarHBondContact O-N 3.16Å
475	V	91.5	Very high	92.1	Very high	66 Å²	66	66 Å²	66	40%	0.4	35%	0.352	S	S	.	.	H	α-helix	trans	-77.5	-24.9	-174.8	172.9	0	0	0	0	113.4	H453 R471	H453-V475 HydrophobicContact CB-CG1 4.24Å; R471-V475 WeakPolarHBondContact O-CB 3.34Å; R471-V475 VanDerWaalsContact O-CG2 3.31Å; R471-V475 WeakPolarHBondContact O-CG2 3.08Å; R471-V475 PolarHBondContact O-N 3.24Å
476	T	89.8	Confident	92.3	Very high	9 Å²	9	62.8 Å²	62.8	6%	0.055	33%	0.332	C	S	.	.	H	α-helix	trans	-109.2	-17.5	-178.3	71.4	0	0	0	0	114.8	Q450 H453 L454 L472 L478	Q450-T476 HydrophobicContact CB-CG2 4.4Å; Q450-T476 WeakPolarHBondContact CG-O 3.39Å; Q450-T476 PolarHBondContact NE2-O 3.25Å; H453-T476 HydrophobicContact CB-CG2 3.93Å; L454-T476 HydrophobicContact CG-CG2 4.48Å; L472-T476 HydrophobicContact CD2-CG2 4.41Å; L472-T476 VanDerWaalsContact O-CB 3.31Å; L472-T476 WeakPolarHBondContact O-CB 3.47Å; L472-T476 WeakPolarHBondContact O-CG2 3.27Å; L472-T476 PolarHBondContact O-N 3.35Å; L472-T476 PolarHBondContact O-OG1 2.9Å; T476-L478 PolarHBondContact O-N 3.36Å; T476-L478 WeakPolarHBondContact OG1-CB 3.36Å; T476-L478 WeakPolarHBondContact OG1-CG 3.22Å; T476-L478 PolarHBondContact OG1-N 3.41Å
477	G	89.9	Confident	92.4	Very high	66 Å²	66	59.6 Å²	59.6	68%	0.68	32%	0.315	S	S	*	.			trans	66.5	9.3	-171.8	0	0	0	0	0	114.5	I473	I473-G477 VanDerWaalsContact O-CA 3.27Å; I473-G477 WeakPolarHBondContact O-CA 3.43Å; I473-G477 PolarHBondContact O-N 3.12Å
478	L	92.1	Very high	92.4	Very high	12 Å²	12	58.9 Å²	58.9	6%	0.063	31%	0.306	C	S	.	.			trans	-86.3	147.6	-179.6	-63.5	173.8	0	0	0	111.4	K446 Q450 L454 T476 I483	K446-L478 HydrophobicContact CD-CD1 4.18Å; K446-L478 HydrophobicContact CG-CD1 4.11Å; K446-L478 HydrophobicContact CG-CD2 4.05Å; Q450-L478 HydrophobicContact CB-CD1 4.23Å; L454-L478 HydrophobicContact CD1-CD1 3.8Å; T476-L478 PolarHBondContact O-N 3.36Å; T476-L478 WeakPolarHBondContact OG1-CB 3.36Å; T476-L478 WeakPolarHBondContact OG1-CG 3.22Å; T476-L478 PolarHBondContact OG1-N 3.41Å; L478-I483 HydrophobicContact CB-CD1 4.17Å; L478-I483 HydrophobicContact CB-CG1 3.91Å; L478-I483 WeakPolarHBondContact O-CD1 3.49Å
479	A	92.5	Very high	92.3	Very high	48 Å²	48	60.4 Å²	60.4	40%	0.397	32%	0.315	S	S	.	.			trans	-66.8	147.6	178.5	0	0	0	0	0	112.2	S481 E482 I483	A479-S481 PolarHBondContact O-N 2.98Å; A479-E482 HydrophobicContact CB-CG 4.27Å; A479-E482 WeakPolarHBondContact O-CA 3.1Å; A479-E482 WeakPolarHBondContact O-CB 3.41Å; A479-E482 PolarHBondContact O-N 3.46Å; A479-I483 PolarHBondContact O-N 2.86Å
480	R	91.8	Very high	92.1	Very high	79 Å²	79	60.9 Å²	60.9	30%	0.298	32%	0.317	S	S	.	.	H	α-helix	trans	-47.6	-38.1	177	-172.2	160.1	157.1	81.5	0.2	113.4	D466 V469 I473 K484	D466-R480 IonicContact OD1-CZ 2.89Å; D466-R480 VanDerWaalsContact OD1-CZ 3.29Å; D466-R480 IonicContact OD1-NH1 2.65Å; D466-R480 PolarHBondContact OD1-NH1 2.98Å; D466-R480 IonicContact OD1-NH2 2.61Å; D466-R480 PolarHBondContact OD1-NH2 3.43Å; D466-R480 IonicContact OD2-CZ 2.96Å; D466-R480 IonicContact OD2-NH1 3.52Å; D466-R480 IonicContact OD2-NH2 3.49Å; D466-R480 PolarHBondContact OD2-NH2 2.93Å; V469-R480 HydrophobicContact CG1-CG 3.91Å; I473-R480 HydrophobicContact CD1-CB 3.66Å; I473-R480 HydrophobicContact CD1-CG 4.13Å; I473-R480 HydrophobicContact CG1-CB 4.47Å; R480-K484 WeakPolarHBondContact O-CG 3.19Å; R480-K484 PolarHBondContact O-N 3.03Å; R480-K484 VanDerWaalsContact O-N 3.15Å
481	S	90.6	Very high	91.9	Very high	87 Å²	87	57.9 Å²	57.9	61%	0.608	31%	0.305	S	S	*	.	H	α-helix	trans	-70.4	-37.6	176.2	52.1	0	0	0	0	113.3	A479 K485	A479-S481 PolarHBondContact O-N 2.98Å; S481-K485 WeakPolarHBondContact O-CB 3.47Å; S481-K485 PolarHBondContact O-N 2.84Å
482	E	92.2	Very high	91.6	Very high	70 Å²	70	58.8 Å²	58.8	33%	0.327	31%	0.309	S	S	.	.	H	α-helix	trans	-70.9	-37.9	177.5	-65.5	-161.6	96.4	0	0	112.5	K446 A479 K485 W486	K446-E482 IonicContact NZ-OE1 2.63Å; K446-E482 PolarHBondContact NZ-OE1 2.94Å; K446-E482 IonicContact NZ-OE2 2.68Å; A479-E482 HydrophobicContact CB-CG 4.27Å; A479-E482 WeakPolarHBondContact O-CA 3.1Å; A479-E482 WeakPolarHBondContact O-CB 3.41Å; A479-E482 PolarHBondContact O-N 3.46Å; E482-K485 PolarHBondContact O-N 3.31Å; E482-W486 WeakPolarHBondContact O-CB 3.38Å; E482-W486 PolarHBondContact O-N 2.86Å
483	I	93	Very high	91.2	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64.7	-55.3	175.3	-64.7	163.1	0	0	0	109.1	L454 V469 L472 I473 L478 A479 K485 W486 F487	L454-I483 HydrophobicContact CD2-CG1 4.26Å; L454-I483 HydrophobicContact CD2-CG2 4.05Å; V469-I483 HydrophobicContact CG1-CG2 4.44Å; V469-I483 HydrophobicContact CG2-CG2 4.38Å; L472-I483 HydrophobicContact CB-CD1 3.97Å; L472-I483 HydrophobicContact CB-CG2 4.28Å; L472-I483 HydrophobicContact CD1-CG2 3.92Å; I473-I483 HydrophobicContact CB-CD1 4.29Å; I473-I483 HydrophobicContact CG1-CD1 3.51Å; L478-I483 HydrophobicContact CB-CD1 4.17Å; L478-I483 HydrophobicContact CB-CG1 3.91Å; L478-I483 WeakPolarHBondContact O-CD1 3.49Å; A479-I483 PolarHBondContact O-N 2.86Å; I483-K485 PolarHBondContact O-N 3.22Å; I483-W486 PolarHBondContact O-N 2.91Å; I483-F487 HydrophobicContact CG2-CD2 3.97Å; I483-F487 HydrophobicContact CG2-CE2 3.97Å; I483-F487 WeakPolarHBondContact O-CD2 3.47Å; I483-F487 PolarHBondContact O-N 2.99Å
484	K	92.1	Very high	90.9	Very high	83 Å²	83	62.5 Å²	62.5	36%	0.361	33%	0.325	S	S	.	.	H	α-helix	trans	-60.2	-32.9	178	-69.9	-167.4	175.5	-166.2	0	112.8	D466 V469 R480 S488	D466-K484 VanDerWaalsContact OD1-CE 3.31Å; D466-K484 WeakPolarHBondContact OD1-CE 3.43Å; D466-K484 IonicContact OD1-NZ 3.81Å; D466-K484 PolarHBondContact OD1-NZ 2.87Å; V469-K484 HydrophobicContact CG1-CG 4.48Å; V469-K484 HydrophobicContact CG2-CG 4.29Å; R480-K484 WeakPolarHBondContact O-CG 3.19Å; R480-K484 PolarHBondContact O-N 3.03Å; R480-K484 VanDerWaalsContact O-N 3.15Å; K484-S488 WeakPolarHBondContact O-CB 3.47Å; K484-S488 PolarHBondContact O-N 2.9Å; K484-S488 PolarHBondContact O-OG 3.31Å
485	K	93.4	Very high	90.3	Very high	161 Å²	161	63.1 Å²	63.1	70%	0.7	33%	0.328	S	S	*	.	H	α-helix	trans	-68.3	-43.7	171.5	-176.1	169.1	-177.3	169.1	0	112.8	S481 E482 I483 S488 D489	S481-K485 WeakPolarHBondContact O-CB 3.47Å; S481-K485 PolarHBondContact O-N 2.84Å; E482-K485 PolarHBondContact O-N 3.31Å; I483-K485 PolarHBondContact O-N 3.22Å; K485-S488 PolarHBondContact O-N 3.14Å; K485-D489 PolarHBondContact O-N 3.19Å
486	W	93.9	Very high	89.6	Confident	33 Å²	33	67.8 Å²	67.8	13%	0.125	34%	0.339	C	S	.	.	H	α-helix	trans	-61.4	-46.9	178	-177.1	96.8	0	0	0	111.4	L454 K455 F458 E482 I483 S488 D489 H490 I501	L454-W486 HydrophobicContact CB-CD2 3.97Å; L454-W486 HydrophobicContact CB-CE3 3.84Å; L454-W486 HydrophobicContact CB-CH2 3.84Å; L454-W486 HydrophobicContact CB-CZ2 3.92Å; L454-W486 HydrophobicContact CB-CZ3 3.79Å; L454-W486 HydrophobicContact CD1-CB 4.49Å; L454-W486 HydrophobicContact CD1-CD2 3.92Å; L454-W486 HydrophobicContact CD1-CE3 4.43Å; L454-W486 HydrophobicContact CD1-CG 3.9Å; L454-W486 HydrophobicContact CD2-CE3 4.34Å; L454-W486 HydrophobicContact CG-CD2 4.39Å; L454-W486 HydrophobicContact CG-CE3 4.44Å; K455-W486 HydrophobicContact CG-CH2 4.05Å; K455-W486 HydrophobicContact CG-CZ2 3.96Å; F458-W486 HydrophobicContact CB-CH2 4.2Å; F458-W486 HydrophobicContact CB-CZ3 4.06Å; F458-W486 AromaticContact CD2-CZ3 3.99Å; F458-W486 HydrophobicContact CD2-CZ3 3.99Å; F458-W486 HydrophobicContact CG-CZ3 4.34Å; E482-W486 WeakPolarHBondContact O-CB 3.38Å; E482-W486 PolarHBondContact O-N 2.86Å; I483-W486 PolarHBondContact O-N 2.91Å; W486-S488 VanDerWaalsContact C-N 3.26Å; W486-S488 PolarHBondContact O-N 2.92Å; W486-D489 PolarHBondContact O-N 3.05Å; W486-H490 HydrophobicContact CE3-CB 4.4Å; W486-H490 HydrophobicContact CH2-CB 4.31Å; W486-H490 AromaticContact CH2-CG 3.97Å; W486-H490 AromaticContact CH2-ND1 3.78Å; W486-H490 AromaticContact CZ2-ND1 3.62Å; W486-H490 HydrophobicContact CZ3-CB 4.19Å; W486-H490 WeakPolarHBondContact O-CB 3.36Å; W486-H490 PolarHBondContact O-N 2.88Å; W486-I501 HydrophobicContact CH2-CD1 4.33Å
487	F	93.5	Very high	88.9	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.009	37%	0.37	C	S	.	.	H	α-helix	trans	-61.2	-35.6	176.4	-86.7	-96.8	0	0	0	112.4	L454 S457 F458 P464 L472 I483 H490 R491	L454-F487 HydrophobicContact CD2-CD2 4.44Å; L454-F487 HydrophobicContact CD2-CE2 3.77Å; S457-F487 WeakPolarHBondContact OG-CZ 3.31Å; F458-F487 HydrophobicContact CB-CE1 4.03Å; F458-F487 AromaticContact CD2-CD1 3.6Å; F458-F487 HydrophobicContact CD2-CD1 3.6Å; F458-F487 AromaticContact CD2-CE1 3.81Å; F458-F487 HydrophobicContact CD2-CE1 3.81Å; F458-F487 HydrophobicContact CD2-CG 4.49Å; F458-F487 HydrophobicContact CE2-CD1 4.26Å; F458-F487 HydrophobicContact CG-CE1 4.38Å; P464-F487 HydrophobicContact CB-CE1 4.28Å; P464-F487 HydrophobicContact CB-CZ 4.36Å; P464-F487 HydrophobicContact CG-CD1 3.64Å; P464-F487 HydrophobicContact CG-CD2 4.01Å; P464-F487 HydrophobicContact CG-CE1 3.65Å; P464-F487 HydrophobicContact CG-CE2 4.05Å; P464-F487 HydrophobicContact CG-CG 3.82Å; P464-F487 HydrophobicContact CG-CZ 3.88Å; L472-F487 HydrophobicContact CD1-CE2 3.68Å; L472-F487 HydrophobicContact CD1-CZ 3.9Å; I483-F487 HydrophobicContact CG2-CD2 3.97Å; I483-F487 HydrophobicContact CG2-CE2 3.97Å; I483-F487 WeakPolarHBondContact O-CD2 3.47Å; I483-F487 PolarHBondContact O-N 2.99Å; F487-H490 PolarHBondContact O-N 2.95Å; F487-R491 WeakPolarHBondContact O-CG 3.32Å; F487-R491 PolarHBondContact O-N 3.13Å
488	S	91.9	Very high	88.1	Confident	55 Å²	55	72.7 Å²	72.7	39%	0.385	36%	0.364	S	S	.	.	H	α-helix	trans	-74.4	-40.9	179.5	-55.3	0	0	0	0	112.7	K484 K485 W486 H490 R491 Y492	K484-S488 WeakPolarHBondContact O-CB 3.47Å; K484-S488 PolarHBondContact O-N 2.9Å; K484-S488 PolarHBondContact O-OG 3.31Å; K485-S488 PolarHBondContact O-N 3.14Å; W486-S488 VanDerWaalsContact C-N 3.26Å; W486-S488 PolarHBondContact O-N 2.92Å; S488-H490 VanDerWaalsContact C-N 3.3Å; S488-R491 PolarHBondContact OG-NH2 2.9Å; S488-R491 VanDerWaalsContact OG-NH2 3.1Å; S488-Y492 WeakPolarHBondContact O-CB 3.48Å; S488-Y492 PolarHBondContact O-N 2.85Å; S488-Y492 VanDerWaalsContact O-N 3.13Å
489	D	90.1	Very high	87.2	Confident	69 Å²	69	74.1 Å²	74.1	37%	0.369	37%	0.373	S	S	.	.	H	α-helix	trans	-59	-43.2	168	179.8	68.4	0	0	0	110.9	K485 W486 Y492 R493	K485-D489 PolarHBondContact O-N 3.19Å; W486-D489 PolarHBondContact O-N 3.05Å; D489-Y492 PolarHBondContact O-N 2.62Å; D489-R493 VanDerWaalsContact CG-CD 3.46Å; D489-R493 WeakPolarHBondContact O-CB 3.48Å; D489-R493 VanDerWaalsContact O-CG 3.27Å; D489-R493 WeakPolarHBondContact O-CG 3.36Å; D489-R493 PolarHBondContact O-N 3.08Å; D489-R493 WeakPolarHBondContact OD1-CD 3.31Å; D489-R493 WeakPolarHBondContact OD2-CD 3.36Å; D489-R493 IonicContact OD2-CZ 2.82Å; D489-R493 IonicContact OD2-NE 3.21Å; D489-R493 IonicContact OD2-NH1 3.57Å; D489-R493 PolarHBondContact OD2-NH1 3.37Å
490	H	87.8	Confident	86.3	Confident	9 Å²	9	79 Å²	79	4%	0.042	39%	0.388	C	S	.	.	H	α-helix	trans	-67.3	-47.1	-177.1	-146.7	91.3	0	0	0	112.5	F458 W486 F487 S488 Y492 R493 C494 I501	F458-H490 HydrophobicContact CD2-CB 4.15Å; F458-H490 AromaticContact CE1-CD2 3.84Å; F458-H490 HydrophobicContact CE2-CB 3.79Å; F458-H490 AromaticContact CE2-CD2 4Å; F458-H490 HydrophobicContact CZ-CB 4.31Å; F458-H490 AromaticContact CZ-CD2 3.75Å; W486-H490 HydrophobicContact CE3-CB 4.4Å; W486-H490 HydrophobicContact CH2-CB 4.31Å; W486-H490 AromaticContact CH2-CG 3.97Å; W486-H490 AromaticContact CH2-ND1 3.78Å; W486-H490 AromaticContact CZ2-ND1 3.62Å; W486-H490 HydrophobicContact CZ3-CB 4.19Å; W486-H490 WeakPolarHBondContact O-CB 3.36Å; W486-H490 PolarHBondContact O-N 2.88Å; F487-H490 PolarHBondContact O-N 2.95Å; S488-H490 VanDerWaalsContact C-N 3.3Å; H490-Y492 VanDerWaalsContact C-N 3.32Å; H490-Y492 PolarHBondContact O-N 3.28Å; H490-R493 PolarHBondContact O-N 3.42Å; H490-C494 PolarHBondContact CD2-SG 3.15Å; H490-C494 PolarHBondContact O-N 2.92Å; H490-C494 PolarHBondContact O-SG 3.17Å; H490-I501 WeakPolarHBondContact NE2-CD1 3.27Å; H490-I501 WeakPolarHBondContact NE2-CG1 3.31Å
491	R	90.1	Very high	85.6	Confident	61 Å²	61	75.7 Å²	75.7	23%	0.23	38%	0.376	C	S	.	.	H	α-helix	trans	-56.1	-46.4	172.8	-74.9	-166.7	-56.9	-82.8	-5.5	111.6	F458 Q462 F463 F487 S488 R493 C494 Q495	F458-R491 HydrophobicContact CE2-CG 3.8Å; F458-R491 HydrophobicContact CZ-CG 3.98Å; Q462-R491 HydrophobicContact CB-CG 4.28Å; Q462-R491 WeakPolarHBondContact O-CD 3.49Å; Q462-R491 PolarHBondContact O-NH1 2.89Å; F463-R491 VanDerWaalsContact CE1-NE 3.31Å; F487-R491 WeakPolarHBondContact O-CG 3.32Å; F487-R491 PolarHBondContact O-N 3.13Å; S488-R491 PolarHBondContact OG-NH2 2.9Å; S488-R491 VanDerWaalsContact OG-NH2 3.1Å; R491-R493 VanDerWaalsContact C-N 3.34Å; R491-R493 PolarHBondContact O-N 3.36Å; R491-C494 PolarHBondContact O-N 2.9Å; R491-Q495 WeakPolarHBondContact O-CB 3.49Å; R491-Q495 PolarHBondContact O-N 3.37Å
492	Y	88.8	Confident	84.9	Confident	119 Å²	119	74.3 Å²	74.3	47%	0.467	36%	0.363	S	S	.	.	H	α-helix	trans	-60.3	-41.9	178.3	178.3	-104.5	0	0	0	112.4	S488 D489 H490 Q495 R496	S488-Y492 WeakPolarHBondContact O-CB 3.48Å; S488-Y492 PolarHBondContact O-N 2.85Å; S488-Y492 VanDerWaalsContact O-N 3.13Å; D489-Y492 PolarHBondContact O-N 2.62Å; H490-Y492 VanDerWaalsContact C-N 3.32Å; H490-Y492 PolarHBondContact O-N 3.28Å; Y492-Q495 PolarHBondContact O-N 3.02Å; Y492-R496 HydrophobicContact CE1-CG 4.18Å; Y492-R496 HydrophobicContact CE2-CG 4.12Å; Y492-R496 WeakPolarHBondContact O-CB 3.38Å; Y492-R496 WeakPolarHBondContact O-CG 3.4Å; Y492-R496 PolarHBondContact O-N 2.81Å; Y492-R496 PolarHBondContact OH-NE 2.61Å
493	R	85.6	Confident	83.6	Confident	91 Å²	91	75.4 Å²	75.4	34%	0.343	38%	0.379	S	S	.	.	H	α-helix	trans	-73.4	-31.7	179.7	-70.7	167.8	67.9	-174.5	2.8	113.1	D489 H490 R491 G497 I498 V499	D489-R493 VanDerWaalsContact CG-CD 3.46Å; D489-R493 WeakPolarHBondContact O-CB 3.48Å; D489-R493 VanDerWaalsContact O-CG 3.27Å; D489-R493 WeakPolarHBondContact O-CG 3.36Å; D489-R493 PolarHBondContact O-N 3.08Å; D489-R493 WeakPolarHBondContact OD1-CD 3.31Å; D489-R493 WeakPolarHBondContact OD2-CD 3.36Å; D489-R493 IonicContact OD2-CZ 2.82Å; D489-R493 IonicContact OD2-NE 3.21Å; D489-R493 IonicContact OD2-NH1 3.57Å; D489-R493 PolarHBondContact OD2-NH1 3.37Å; H490-R493 PolarHBondContact O-N 3.42Å; R491-R493 VanDerWaalsContact C-N 3.34Å; R491-R493 PolarHBondContact O-N 3.36Å; R493-G497 PolarHBondContact O-N 2.81Å; R493-I498 HydrophobicContact CB-CB 4.34Å; R493-I498 PolarHBondContact O-N 3.39Å; R493-V499 HydrophobicContact CB-CG2 4.29Å; R493-V499 PolarHBondContact O-N 2.65Å
494	C	85.5	Confident	82.3	Confident	36 Å²	36	81.2 Å²	81.2	24%	0.243	41%	0.406	C	S	.	.	H	α-helix	trans	-66.7	-46.8	168.2	-70.5	0	0	0	0	111.8	H490 R491 R496 G497 V499	H490-C494 PolarHBondContact CD2-SG 3.15Å; H490-C494 PolarHBondContact O-N 2.92Å; H490-C494 PolarHBondContact O-SG 3.17Å; R491-C494 PolarHBondContact O-N 2.9Å; C494-R496 PolarHBondContact O-N 2.97Å; C494-G497 PolarHBondContact O-N 3.07Å; C494-V499 WeakPolarHBondContact CA-O 3.39Å; C494-V499 PolarHBondContact SG-O 2.96Å
495	Q	80.1	Confident	81.3	Confident	169 Å²	169	79 Å²	79	79%	0.79	40%	0.401	S	S	*	.	H	α-helix	trans	-62.1	-25.4	178	-165.1	-178.7	27.3	0	0	112.9	R491 Y492	R491-Q495 WeakPolarHBondContact O-CB 3.49Å; R491-Q495 PolarHBondContact O-N 3.37Å; Y492-Q495 PolarHBondContact O-N 3.02Å
496	R	77.5	Confident	80.2	Confident	165 Å²	165	72.1 Å²	72.1	62%	0.623	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	0	173.1	-69.9	-68.5	-172.5	-173.6	-5.2	114.7	Y492 C494 I498	Y492-R496 HydrophobicContact CE1-CG 4.18Å; Y492-R496 HydrophobicContact CE2-CG 4.12Å; Y492-R496 WeakPolarHBondContact O-CB 3.38Å; Y492-R496 WeakPolarHBondContact O-CG 3.4Å; Y492-R496 PolarHBondContact O-N 2.81Å; Y492-R496 PolarHBondContact OH-NE 2.61Å; C494-R496 PolarHBondContact O-N 2.97Å; R496-I498 HydrophobicContact CB-CD1 3.61Å; R496-I498 HydrophobicContact CB-CG1 3.76Å; R496-I498 HydrophobicContact CG-CD1 4.37Å; R496-I498 PolarHBondContact O-N 3.3Å
497	G	74.6	Confident	79	Confident	69 Å²	69	73.2 Å²	73.2	71%	0.711	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	12.6	-176.6	0	0	0	0	0	114.9	R493 C494	R493-G497 PolarHBondContact O-N 2.81Å; C494-G497 PolarHBondContact O-N 3.07Å
498	I	73.1	Confident	77.9	Confident	109 Å²	109	79 Å²	79	56%	0.559	41%	0.413	S	S	*	.	S	Bend	trans	-79.4	-29.5	-175	-59.6	170.2	0	0	0	111.1	R493 R496	R493-I498 HydrophobicContact CB-CB 4.34Å; R493-I498 PolarHBondContact O-N 3.39Å; R496-I498 HydrophobicContact CB-CD1 3.61Å; R496-I498 HydrophobicContact CB-CG1 3.76Å; R496-I498 HydrophobicContact CG-CD1 4.37Å; R496-I498 PolarHBondContact O-N 3.3Å
499	V	74.2	Confident	77	Confident	42 Å²	42	77.9 Å²	77.9	26%	0.255	40%	0.403	S	S	.	.			trans	-143.7	141.8	176.8	-174.5	0	0	0	0	109.1	R493 C494	R493-V499 HydrophobicContact CB-CG2 4.29Å; R493-V499 PolarHBondContact O-N 2.65Å; C494-V499 WeakPolarHBondContact CA-O 3.39Å; C494-V499 PolarHBondContact SG-O 2.96Å
500	H	72.5	Confident	76.1	Confident	150 Å²	150	80.5 Å²	80.5	69%	0.694	41%	0.413	S	S	*	.			trans	-133.5	112.3	170.4	-169.2	-67.6	0	0	0	109.2	T502	H500-T502 WeakPolarHBondContact ND1-CG2 3.27Å
501	I	76.3	Confident	75.5	Confident	10 Å²	10	86.2 Å²	86.2	5%	0.051	44%	0.443	C	S	.	.			trans	-75.2	131.5	171.3	-58.3	167.3	0	0	0	107.9	K455 F458 L459 W486 H490 L506	K455-I501 HydrophobicContact CB-CD1 3.97Å; K455-I501 HydrophobicContact CD-CD1 4.45Å; K455-I501 HydrophobicContact CG-CD1 3.74Å; K455-I501 HydrophobicContact CG-CG1 4.36Å; F458-I501 HydrophobicContact CB-CD1 4.12Å; F458-I501 HydrophobicContact CD1-CD1 3.76Å; F458-I501 HydrophobicContact CE1-CD1 4.49Å; F458-I501 HydrophobicContact CG-CD1 4.08Å; L459-I501 HydrophobicContact CD1-CG2 4.05Å; L459-I501 HydrophobicContact CD2-CB 3.99Å; L459-I501 HydrophobicContact CD2-CG2 3.72Å; L459-I501 HydrophobicContact CG-CG2 3.85Å; W486-I501 HydrophobicContact CH2-CD1 4.33Å; H490-I501 WeakPolarHBondContact NE2-CD1 3.27Å; H490-I501 WeakPolarHBondContact NE2-CG1 3.31Å; I501-L506 HydrophobicContact CG2-CG 4.29Å
502	T	75.9	Confident	74.5	Confident	57 Å²	57	85.5 Å²	85.5	35%	0.35	45%	0.45	S	S	.	.			trans	-121.6	161.5	167.8	62.2	0	0	0	0	109.3	H500 E504 S505 L506	H500-T502 WeakPolarHBondContact ND1-CG2 3.27Å; T502-E504 PolarHBondContact O-N 3.42Å; T502-S505 WeakPolarHBondContact O-CB 3.41Å; T502-S505 PolarHBondContact O-N 3.19Å; T502-S505 PolarHBondContact OG1-N 3.45Å; T502-S505 VanDerWaalsContact OG1-N 3.08Å; T502-L506 PolarHBondContact O-N 3.48Å; T502-L506 VanDerWaalsContact O-N 3.15Å
503	S	66.8	Low	73.7	Confident	93 Å²	93	80.8 Å²	80.8	65%	0.65	43%	0.433	S	S	*	.	H	α-helix	trans	-55.9	-34.4	170.2	-171.5	0	0	0	0	111.7	S505 L506 A507	S503-S505 PolarHBondContact O-N 2.95Å; S503-L506 PolarHBondContact O-N 3.1Å; S503-A507 PolarHBondContact O-N 3.46Å
504	E	65	Low	73	Confident	122 Å²	122	78.6 Å²	78.6	57%	0.57	43%	0.434	S	S	*	.	H	α-helix	trans	-63.6	-37.2	173.1	-164	-165.6	145.8	0	0	112.9	T502 K508	T502-E504 PolarHBondContact O-N 3.42Å; E504-K508 WeakPolarHBondContact O-CG 3.13Å; E504-K508 PolarHBondContact O-N 2.86Å; E504-K508 VanDerWaalsContact O-N 3.16Å; E504-K508 WeakPolarHBondContact OE1-CE 3.31Å; E504-K508 IonicContact OE1-NZ 2.75Å; E504-K508 PolarHBondContact OE1-NZ 3.12Å
505	S	71	Confident	72.1	Confident	36 Å²	36	80.8 Å²	80.8	25%	0.252	45%	0.454	S	S	.	.	H	α-helix	trans	-67	-35.7	173.6	-176.2	0	0	0	0	112.2	T502 S503 D509	T502-S505 WeakPolarHBondContact O-CB 3.41Å; T502-S505 PolarHBondContact O-N 3.19Å; T502-S505 PolarHBondContact OG1-N 3.45Å; T502-S505 VanDerWaalsContact OG1-N 3.08Å; S503-S505 PolarHBondContact O-N 2.95Å; S505-D509 PolarHBondContact O-N 3.49Å
506	L	70.4	Confident	71.3	Confident	18 Å²	18	77.5 Å²	77.5	9%	0.094	45%	0.45	C	S	.	.	H	α-helix	trans	-69.3	-42.1	175.4	-76.6	-179.1	0	0	0	112.1	K455 A456 L459 I501 T502 S503 K508 D509 Q510	K455-L506 HydrophobicContact CB-CD2 3.47Å; K455-L506 VanDerWaalsContact CB-CD2 3.47Å; K455-L506 HydrophobicContact CD-CD2 4.33Å; A456-L506 HydrophobicContact CB-CD1 4.28Å; L459-L506 HydrophobicContact CD1-CD1 3.5Å; L459-L506 VanDerWaalsContact CD1-CD1 3.5Å; L459-L506 HydrophobicContact CD1-CG 4.25Å; L459-L506 HydrophobicContact CG-CD1 4.05Å; I501-L506 HydrophobicContact CG2-CG 4.29Å; T502-L506 PolarHBondContact O-N 3.48Å; T502-L506 VanDerWaalsContact O-N 3.15Å; S503-L506 PolarHBondContact O-N 3.1Å; L506-K508 VanDerWaalsContact C-N 3.27Å; L506-K508 PolarHBondContact O-N 2.87Å; L506-D509 PolarHBondContact O-N 3.08Å; L506-Q510 WeakPolarHBondContact O-CB 3.49Å; L506-Q510 WeakPolarHBondContact O-CG 3.46Å; L506-Q510 PolarHBondContact O-N 2.99Å
507	A	68.9	Low	70.4	Confident	55 Å²	55	77.7 Å²	77.7	46%	0.455	45%	0.451	S	S	.	.	H	α-helix	trans	-57.7	-41.9	175.3	0	0	0	0	0	111.5	S503 L511	S503-A507 PolarHBondContact O-N 3.46Å; A507-L511 WeakPolarHBondContact O-CB 3.41Å; A507-L511 PolarHBondContact O-N 3.42Å
508	K	69.8	Low	69	Low	124 Å²	124	81.9 Å²	81.9	54%	0.539	45%	0.452	S	S	.	.	H	α-helix	trans	-66.7	-42.7	176.3	-71.7	171	-176.1	174	0	113.2	E504 L506 A512	E504-K508 WeakPolarHBondContact O-CG 3.13Å; E504-K508 PolarHBondContact O-N 2.86Å; E504-K508 VanDerWaalsContact O-N 3.16Å; E504-K508 WeakPolarHBondContact OE1-CE 3.31Å; E504-K508 IonicContact OE1-NZ 2.75Å; E504-K508 PolarHBondContact OE1-NZ 3.12Å; L506-K508 VanDerWaalsContact C-N 3.27Å; L506-K508 PolarHBondContact O-N 2.87Å; K508-A512 VanDerWaalsContact O-CB 3.3Å; K508-A512 WeakPolarHBondContact O-CB 3.36Å; K508-A512 PolarHBondContact O-N 3.15Å; K508-A512 VanDerWaalsContact O-N 3.11Å
509	D	73.3	Confident	67.9	Low	32 Å²	32	80.1 Å²	80.1	17%	0.171	46%	0.46	C	S	.	.	H	α-helix	trans	-64.4	-43.9	176.3	-82.7	-33.5	0	0	0	111.9	K455 S505 L506 A512 I513	K455-D509 WeakPolarHBondContact CD-OD2 3.21Å; K455-D509 IonicContact NZ-OD2 2.8Å; K455-D509 PolarHBondContact NZ-OD2 2.76Å; S505-D509 PolarHBondContact O-N 3.49Å; L506-D509 PolarHBondContact O-N 3.08Å; D509-A512 CarbonylContact O-C 3.39Å; D509-A512 PolarHBondContact O-N 3.42Å; D509-I513 WeakPolarHBondContact O-CD1 3.42Å; D509-I513 VanDerWaalsContact O-CG1 3.32Å; D509-I513 WeakPolarHBondContact O-CG1 3.48Å; D509-I513 PolarHBondContact O-N 3.31Å
510	Q	72.1	Confident	66.5	Low	123 Å²	123	89.3 Å²	89.3	58%	0.575	49%	0.49	S	S	*	.	H	α-helix	trans	-64.8	-46.6	178.4	-72.7	-177.9	103.7	0	0	112.5	L506 A512 I513 A514	L506-Q510 WeakPolarHBondContact O-CB 3.49Å; L506-Q510 WeakPolarHBondContact O-CG 3.46Å; L506-Q510 PolarHBondContact O-N 2.99Å; Q510-A512 VanDerWaalsContact C-N 3.26Å; Q510-A512 PolarHBondContact O-N 2.71Å; Q510-I513 WeakPolarHBondContact O-CB 3.44Å; Q510-I513 PolarHBondContact O-N 3.05Å; Q510-A514 PolarHBondContact O-N 2.98Å
511	L	73.6	Confident	65.1	Low	130 Å²	130	87.8 Å²	87.8	68%	0.681	49%	0.491	S	S	*	.	H	α-helix	trans	-58.5	-41.9	176.2	-177.7	64.1	0	0	0	111.2	A507 I513 A514 A515	A507-L511 WeakPolarHBondContact O-CB 3.41Å; A507-L511 PolarHBondContact O-N 3.42Å; L511-I513 PolarHBondContact O-N 2.95Å; L511-A514 PolarHBondContact O-N 3.33Å; L511-A515 WeakPolarHBondContact O-CB 3.34Å; L511-A515 PolarHBondContact O-N 3.34Å
512	A	69.5	Low	63.1	Low	45 Å²	45	98 Å²	98	37%	0.372	53%	0.531	S	S	.	.	H	α-helix	trans	-82.1	8.8	176.9	0	0	0	0	0	114.2	K448 K508 D509 Q510	K448-A512 PolarHBondContact NZ-O 3Å; K508-A512 VanDerWaalsContact O-CB 3.3Å; K508-A512 WeakPolarHBondContact O-CB 3.36Å; K508-A512 PolarHBondContact O-N 3.15Å; K508-A512 VanDerWaalsContact O-N 3.11Å; D509-A512 CarbonylContact O-C 3.39Å; D509-A512 PolarHBondContact O-N 3.42Å; Q510-A512 VanDerWaalsContact C-N 3.26Å; Q510-A512 PolarHBondContact O-N 2.71Å
513	I	72.8	Confident	61.7	Low	21 Å²	21	103.8 Å²	103.8	11%	0.108	55%	0.553	C	S	.	*	H	α-helix	trans	-101.3	-45.4	161.5	-73.8	161	0	0	0	109.1	K448 E449 A452 D509 Q510 L511 A515 S516 R517	K448-I513 HydrophobicContact CD-CG1 3.96Å; K448-I513 HydrophobicContact CG-CD1 4.21Å; K448-I513 HydrophobicContact CG-CG1 4.04Å; E449-I513 HydrophobicContact CG-CD1 4.15Å; E449-I513 HydrophobicContact CG-CG1 4.21Å; E449-I513 HydrophobicContact CG-CG2 3.93Å; E449-I513 VanDerWaalsContact OE1-CG2 3.26Å; E449-I513 WeakPolarHBondContact OE1-CG2 3.34Å; A452-I513 HydrophobicContact CB-CD1 3.68Å; D509-I513 WeakPolarHBondContact O-CD1 3.42Å; D509-I513 VanDerWaalsContact O-CG1 3.32Å; D509-I513 WeakPolarHBondContact O-CG1 3.48Å; D509-I513 PolarHBondContact O-N 3.31Å; Q510-I513 WeakPolarHBondContact O-CB 3.44Å; Q510-I513 PolarHBondContact O-N 3.05Å; L511-I513 PolarHBondContact O-N 2.95Å; I513-A515 VanDerWaalsContact C-N 3.29Å; I513-A515 PolarHBondContact O-N 3.49Å; I513-S516 WeakPolarHBondContact O-CA 3.49Å; I513-S516 WeakPolarHBondContact O-CB 3.25Å; I513-S516 PolarHBondContact O-N 2.84Å; I513-R517 PolarHBondContact O-N 3.47Å
514	A	69.8	Low	60.4	Low	45 Å²	45	103.8 Å²	103.8	37%	0.372	56%	0.559	S	S	.	*	H	α-helix	trans	-55.8	-42.5	175.9	0	0	0	0	0	112.3	Q510 L511 S516 R517 H518	Q510-A514 PolarHBondContact O-N 2.98Å; L511-A514 PolarHBondContact O-N 3.33Å; A514-S516 PolarHBondContact O-N 3.44Å; A514-R517 PolarHBondContact O-N 2.92Å; A514-H518 PolarHBondContact O-ND1 3.27Å
515	A	67.1	Low	58.7	Low	81 Å²	81	108.6 Å²	108.6	67%	0.669	57%	0.574	S	S	*	*	H	α-helix	trans	-62.6	-22	173.9	0	0	0	0	0	114.1	L511 I513	L511-A515 WeakPolarHBondContact O-CB 3.34Å; L511-A515 PolarHBondContact O-N 3.34Å; I513-A515 VanDerWaalsContact C-N 3.29Å; I513-A515 PolarHBondContact O-N 3.49Å
516	S	63.5	Low	57.5	Low	100 Å²	100	112.6 Å²	112.6	70%	0.699	60%	0.599	S	S	*	*	H	α-helix	trans	-88.6	-13.1	179.3	-166.7	0	0	0	0	113.8	I513 A514	I513-S516 WeakPolarHBondContact O-CA 3.49Å; I513-S516 WeakPolarHBondContact O-CB 3.25Å; I513-S516 PolarHBondContact O-N 2.84Å; A514-S516 PolarHBondContact O-N 3.44Å
517	R	58.4	Low	56	Low	169 Å²	169	115.9 Å²	115.9	64%	0.638	62%	0.617	S	S	*	*	H	α-helix	trans	-95.1	-16.7	-177	-70.1	-179	171.8	-157	-5.1	113.7	E449 I513 A514 G519	E449-R517 IonicContact OE1-CZ 3.74Å; E449-R517 VanDerWaalsContact OE1-CZ 3.28Å; E449-R517 IonicContact OE1-NE 3.78Å; E449-R517 PolarHBondContact OE1-NE 3.27Å; E449-R517 IonicContact OE1-NH2 3.94Å; E449-R517 PolarHBondContact OE1-NH2 3.27Å; E449-R517 IonicContact OE2-CZ 2.73Å; E449-R517 IonicContact OE2-NH2 3.28Å; E449-R517 PolarHBondContact OE2-NH2 3.5Å; I513-R517 PolarHBondContact O-N 3.47Å; A514-R517 PolarHBondContact O-N 2.92Å; R517-G519 PolarHBondContact O-N 3.01Å; R517-G519 VanDerWaalsContact O-N 3.15Å
518	H	44.6	Very low	54.5	Low	158 Å²	158	120.9 Å²	120.9	73%	0.731	63%	0.628	S	S	*	*			trans	-91	64	-175.9	-69	87.3	0	0	0	112.9	A514 R520	A514-H518 PolarHBondContact O-ND1 3.27Å; H518-R520 PolarHBondContact O-N 3.2Å
519	G	50	Low	53	Low	71 Å²	71	118.7 Å²	118.7	73%	0.732	63%	0.634	S	S	*	*			trans	-81.3	98.3	177.3	0	0	0	0	0	113.7	R517	R517-G519 PolarHBondContact O-N 3.01Å; R517-G519 VanDerWaalsContact O-N 3.15Å
520	R	45.7	Very low	51.4	Low	236 Å²	236	123.4 Å²	123.4	89%	0.891	67%	0.666	S	S	*	*	S	Bend	trans	88.2	150.7	176	-59.2	-174.4	174.6	-97.4	4.4	117.6	H518	H518-R520 PolarHBondContact O-N 3.2Å
521	T	42.7	Very low	49.7	Very low	117 Å²	117	125.1 Å²	125.1	72%	0.718	67%	0.674	S	S	*	*			trans	70.7	69.3	159.1	-39.7	0	0	0	0	117.7
522	Y	34.3	Very low	48.1	Very low	225 Å²	225	128.5 Å²	128.5	88%	0.882	68%	0.683	S	S	*	*				-163.2	153.5	97.4	-108.1	-79.2	0	0	0	110.1
523	H	47	Very low	46.9	Very low	178 Å²	178	132.3 Å²	132.3	82%	0.824	69%	0.691	S	S	*	*			trans	-97.1	114.8	-175.3	-122.6	-83.3	0	0	0	111.4
524	A	38.3	Very low	45.9	Very low	93 Å²	93	139.6 Å²	139.6	77%	0.769	72%	0.722	S	S	*	*			trans	-146.7	113.3	168.6	0	0	0	0	0	110.2
525	Y	29.1	Very low	45.3	Very low	224 Å²	224	146 Å²	146	88%	0.878	74%	0.744	S	S	*	*			trans	50.7	107.4	174.2	-103.3	-88.5	0	0	0	119.3	D527	Y525-D527 PolarHBondContact O-N 2.83Å
526	P	46.4	Very low	45.6	Very low	120 Å²	120	143 Å²	143	78%	0.779	72%	0.716	S	S	*	*			trans	-93	87.1	171.1	36	-31.4	0	0	0	112.8
527	D	38.9	Very low	46.4	Very low	87 Å²	87	142.8 Å²	142.8	47%	0.465	71%	0.711	S	S	.	*			trans	-141.6	164.6	157	-164.1	9.2	0	0	0	109	Y525 R571	Y525-D527 PolarHBondContact O-N 2.83Å; D527-R571 IonicContact OD2-CZ 2.66Å; D527-R571 IonicContact OD2-NH1 3Å; D527-R571 IonicContact OD2-NH2 3.29Å; D527-R571 PolarHBondContact OD2-NH2 3.38Å
528	F	38.4	Very low	47.3	Very low	159 Å²	159	143 Å²	143	70%	0.697	72%	0.719	S	S	*	*			trans	66.7	38.7	-174.7	-53.9	-72	0	0	0	117.1	R571	F528-R571 VanDerWaalsContact CZ-NH1 3.29Å
529	A	36.7	Very low	49.1	Very low	79 Å²	79	137.5 Å²	137.5	65%	0.653	71%	0.705	S	S	*	*	S	Bend	trans	-58.6	144.6	132.5	0	0	0	0	0	108	Q531	A529-Q531 VanDerWaalsContact C-N 3.29Å; A529-Q531 PolarHBondContact O-N 3.43Å
530	P	39.8	Very low	50.9	Low	130 Å²	130	136.1 Å²	136.1	84%	0.844	68%	0.679	S	S	*	*			trans	-64.1	94.4	172.4	26.4	-32.9	0	0	0	108.7	K532	P530-K532 PolarHBondContact O-N 3.46Å; P530-K532 VanDerWaalsContact O-N 3.14Å
531	Q	37.6	Very low	52.9	Low	160 Å²	160	126.6 Å²	126.6	75%	0.748	65%	0.647	S	S	*	*			trans	-57.9	119.6	-170.9	-171.9	176.3	11.2	0	0	108.6	A529 F533	A529-Q531 VanDerWaalsContact C-N 3.29Å; A529-Q531 PolarHBondContact O-N 3.43Å; Q531-F533 PolarHBondContact O-N 2.92Å
532	K	38.7	Very low	55.2	Low	200 Å²	200	128.3 Å²	128.3	87%	0.87	65%	0.645	S	S	*	*			trans	-51	111.8	179.9	-68	-176	179.9	-179.2	0	107.8	P530 K534	P530-K532 PolarHBondContact O-N 3.46Å; P530-K532 VanDerWaalsContact O-N 3.14Å; K532-K534 PolarHBondContact O-N 2.92Å
533	F	45.4	Very low	57.9	Low	125 Å²	125	120.2 Å²	120.2	55%	0.548	62%	0.616	S	S	.	*			trans	-57.1	110.7	-166.5	-170.6	-91.6	0	0	0	108.6	Q531 E535 K536	Q531-F533 PolarHBondContact O-N 2.92Å; F533-E535 PolarHBondContact O-N 3.41Å; F533-K536 HydrophobicContact CE1-CB 4.39Å; F533-K536 HydrophobicContact CE1-CD 3.74Å; F533-K536 HydrophobicContact CE1-CG 3.78Å; F533-K536 HydrophobicContact CE2-CD 4.48Å; F533-K536 HydrophobicContact CZ-CD 3.55Å; F533-K536 HydrophobicContact CZ-CG 4.13Å
534	K	50.7	Low	60	Low	175 Å²	175	111.8 Å²	111.8	76%	0.761	58%	0.577	S	S	*	*			trans	-62.4	114.2	179.3	-166.4	169.5	-174.4	175.1	0	106.4	K532 K536	K532-K534 PolarHBondContact O-N 2.92Å; K534-K536 PolarHBondContact O-N 3.48Å
535	E	57	Low	62.6	Low	179 Å²	179	110.6 Å²	110.6	84%	0.836	56%	0.556	S	S	*	*			trans	-56.9	109	-167.7	-169.7	166.5	-159.6	0	0	109.1	F533 T537	F533-E535 PolarHBondContact O-N 3.41Å; E535-T537 PolarHBondContact O-N 3.46Å; E535-T537 VanDerWaalsContact O-N 3.15Å
536	K	75.1	Confident	65.5	Low	18 Å²	18	103.6 Å²	103.6	8%	0.078	53%	0.534	C	S	.	.			trans	-67.9	118.4	-167.4	-74.9	177.6	170.2	45.3	0	108	F533 K534 Q538 V541 L568 E572	F533-K536 HydrophobicContact CE1-CB 4.39Å; F533-K536 HydrophobicContact CE1-CD 3.74Å; F533-K536 HydrophobicContact CE1-CG 3.78Å; F533-K536 HydrophobicContact CE2-CD 4.48Å; F533-K536 HydrophobicContact CZ-CD 3.55Å; F533-K536 HydrophobicContact CZ-CG 4.13Å; K534-K536 PolarHBondContact O-N 3.48Å; K536-Q538 PolarHBondContact O-N 3.15Å; K536-V541 HydrophobicContact CB-CG2 3.73Å; K536-L568 HydrophobicContact CD-CD1 3.95Å; K536-L568 HydrophobicContact CD-CD2 4.48Å; K536-L568 HydrophobicContact CG-CD1 4.34Å; K536-L568 HydrophobicContact CG-CD2 4.23Å; K536-E572 IonicContact NZ-OE1 3.94Å; K536-E572 PolarHBondContact NZ-OE1 2.95Å
537	T	79.5	Confident	67.6	Low	95 Å²	95	98 Å²	98	58%	0.583	50%	0.497	S	S	*	.			trans	-58.8	140.4	-174.8	-35.5	0	0	0	0	108.6	E535 G539 Q540 V541	E535-T537 PolarHBondContact O-N 3.46Å; E535-T537 VanDerWaalsContact O-N 3.15Å; T537-G539 PolarHBondContact O-N 2.96Å; T537-Q540 WeakPolarHBondContact O-CA 3.43Å; T537-Q540 VanDerWaalsContact O-CB 3.31Å; T537-Q540 WeakPolarHBondContact O-CB 3.33Å; T537-Q540 PolarHBondContact O-N 2.8Å; T537-Q540 PolarHBondContact OG1-OE1 2.76Å; T537-V541 PolarHBondContact O-N 3.07Å; T537-V541 VanDerWaalsContact O-N 3.14Å
538	Q	77.1	Confident	70.2	Confident	175 Å²	175	95.1 Å²	95.1	82%	0.818	48%	0.481	S	S	*	.	H	α-helix	trans	-54.1	-31.7	-171.6	-165.9	176.5	9.4	0	0	113.4	K536 V541 K542	K536-Q538 PolarHBondContact O-N 3.15Å; Q538-V541 PolarHBondContact O-N 3.17Å; Q538-K542 PolarHBondContact O-N 3.38Å
539	G	82.3	Confident	72.5	Confident	42 Å²	42	94.8 Å²	94.8	43%	0.433	49%	0.485	S	S	.	.	H	α-helix	trans	-66	-40.5	171.2	0	0	0	0	0	114.7	T537 V541 K542 I543	T537-G539 PolarHBondContact O-N 2.96Å; G539-V541 VanDerWaalsContact C-N 3.34Å; G539-K542 PolarHBondContact O-N 2.74Å; G539-I543 WeakPolarHBondContact O-CD1 3.43Å; G539-I543 WeakPolarHBondContact O-CG1 3.4Å; G539-I543 PolarHBondContact O-N 3.29Å
540	Q	87.3	Confident	74.8	Confident	41 Å²	41	97.5 Å²	97.5	19%	0.192	48%	0.483	C	S	.	.	H	α-helix	trans	-61.5	-44	173.7	-60.9	175.7	-46.3	0	0	110.7	T537 I543 L544 T566 L568	T537-Q540 WeakPolarHBondContact O-CA 3.43Å; T537-Q540 VanDerWaalsContact O-CB 3.31Å; T537-Q540 WeakPolarHBondContact O-CB 3.33Å; T537-Q540 PolarHBondContact O-N 2.8Å; T537-Q540 PolarHBondContact OG1-OE1 2.76Å; Q540-I543 PolarHBondContact O-N 3.37Å; Q540-L544 WeakPolarHBondContact O-CG 3.15Å; Q540-L544 PolarHBondContact O-N 3Å; Q540-L544 VanDerWaalsContact O-N 3.15Å; Q540-T566 PolarHBondContact NE2-O 3.16Å; Q540-L568 HydrophobicContact CB-CD1 4.42Å
541	V	89.1	Confident	76.7	Confident	36 Å²	36	93 Å²	93	22%	0.218	45%	0.454	C	S	.	.	H	α-helix	trans	-62.5	-45.7	177.8	-178.1	0	0	0	0	110.6	K536 T537 Q538 G539 I543 L544 E545	K536-V541 HydrophobicContact CB-CG2 3.73Å; T537-V541 PolarHBondContact O-N 3.07Å; T537-V541 VanDerWaalsContact O-N 3.14Å; Q538-V541 PolarHBondContact O-N 3.17Å; G539-V541 VanDerWaalsContact C-N 3.34Å; V541-I543 VanDerWaalsContact C-N 3.29Å; V541-I543 PolarHBondContact O-N 2.68Å; V541-L544 WeakPolarHBondContact O-CB 3.38Å; V541-L544 PolarHBondContact O-N 3.48Å; V541-L544 VanDerWaalsContact O-N 3.12Å; V541-E545 HydrophobicContact CG1-CG 4.2Å; V541-E545 WeakPolarHBondContact O-CG 3.07Å; V541-E545 PolarHBondContact O-N 3.14Å
542	K	90.3	Very high	79	Confident	154 Å²	154	86.9 Å²	86.9	67%	0.67	43%	0.429	S	S	*	.	H	α-helix	trans	-57.9	-38.6	178.4	-172	179.5	179.1	-176.2	0	113.2	Q538 G539 E545 D546	Q538-K542 PolarHBondContact O-N 3.38Å; G539-K542 PolarHBondContact O-N 2.74Å; K542-E545 PolarHBondContact O-N 2.78Å; K542-D546 PolarHBondContact O-N 2.96Å
543	I	90.4	Very high	81.2	Confident	55 Å²	55	81.4 Å²	81.4	28%	0.282	41%	0.405	S	S	.	.	H	α-helix	trans	-66.9	-43.9	176.5	-67.1	161.7	0	0	0	110.9	G539 Q540 V541 E545 S547 L562 E565 T566	G539-I543 WeakPolarHBondContact O-CD1 3.43Å; G539-I543 WeakPolarHBondContact O-CG1 3.4Å; G539-I543 PolarHBondContact O-N 3.29Å; Q540-I543 PolarHBondContact O-N 3.37Å; V541-I543 VanDerWaalsContact C-N 3.29Å; V541-I543 PolarHBondContact O-N 2.68Å; I543-E545 VanDerWaalsContact C-N 3.32Å; I543-E545 PolarHBondContact O-N 2.98Å; I543-S547 PolarHBondContact O-N 2.91Å; I543-S547 VanDerWaalsContact O-N 3.08Å; I543-L562 HydrophobicContact CG2-CD2 3.71Å; I543-E565 HydrophobicContact CD1-CB 4.48Å; I543-E565 HydrophobicContact CG2-CB 4.09Å; I543-E565 WeakPolarHBondContact CG2-OE2 3.42Å; I543-T566 HydrophobicContact CB-CG2 4.03Å; I543-T566 HydrophobicContact CG2-CG2 3.7Å
544	L	92.5	Very high	83.1	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-62.9	-37.8	175	-64.6	168.9	0	0	0	111.8	Q540 V541 S547 F548 L562 T566 L568 I573 W576 F577	Q540-L544 WeakPolarHBondContact O-CG 3.15Å; Q540-L544 PolarHBondContact O-N 3Å; Q540-L544 VanDerWaalsContact O-N 3.15Å; V541-L544 WeakPolarHBondContact O-CB 3.38Å; V541-L544 PolarHBondContact O-N 3.48Å; V541-L544 VanDerWaalsContact O-N 3.12Å; L544-S547 PolarHBondContact O-N 3.46Å; L544-F548 WeakPolarHBondContact O-CB 3.48Å; L544-F548 PolarHBondContact O-N 3.39Å; L544-L562 HydrophobicContact CD2-CD1 4.4Å; L544-L562 HydrophobicContact CD2-CD2 4.3Å; L544-T566 HydrophobicContact CD2-CG2 4.07Å; L544-T566 HydrophobicContact CG-CG2 4.05Å; L544-L568 HydrophobicContact CD1-CD1 3.83Å; L544-I573 HydrophobicContact CD2-CG1 4.23Å; L544-I573 HydrophobicContact CD2-CG2 4.04Å; L544-W576 HydrophobicContact CB-CD2 3.97Å; L544-W576 HydrophobicContact CB-CE3 3.75Å; L544-W576 HydrophobicContact CB-CH2 3.72Å; L544-W576 HydrophobicContact CB-CZ2 3.9Å; L544-W576 HydrophobicContact CB-CZ3 3.64Å; L544-W576 HydrophobicContact CD1-CB 4.47Å; L544-W576 HydrophobicContact CD1-CD2 3.83Å; L544-W576 HydrophobicContact CD1-CE3 4.26Å; L544-W576 HydrophobicContact CD1-CG 3.9Å; L544-W576 HydrophobicContact CD2-CE3 4.49Å; L544-W576 HydrophobicContact CG-CD2 4.42Å; L544-W576 HydrophobicContact CG-CE3 4.39Å; L544-W576 WeakPolarHBondContact O-CZ3 3.31Å; L544-F577 HydrophobicContact CD2-CE2 3.84Å
545	E	91.9	Very high	84.9	Confident	68 Å²	68	72 Å²	72	32%	0.318	37%	0.373	S	S	.	.	H	α-helix	trans	-70.4	-44.2	178.4	-71.2	-171	130.2	0	0	113.4	V541 K542 I543 S547 F548 L549 W576 R580	V541-E545 HydrophobicContact CG1-CG 4.2Å; V541-E545 WeakPolarHBondContact O-CG 3.07Å; V541-E545 PolarHBondContact O-N 3.14Å; K542-E545 PolarHBondContact O-N 2.78Å; I543-E545 VanDerWaalsContact C-N 3.32Å; I543-E545 PolarHBondContact O-N 2.98Å; E545-S547 VanDerWaalsContact C-N 3.29Å; E545-S547 PolarHBondContact O-N 3.47Å; E545-F548 WeakPolarHBondContact O-CB 3.25Å; E545-F548 PolarHBondContact O-N 3.15Å; E545-F548 VanDerWaalsContact O-N 3.1Å; E545-L549 WeakPolarHBondContact O-CG 3.32Å; E545-L549 PolarHBondContact O-N 3.21Å; E545-W576 HydrophobicContact CB-CH2 4.47Å; E545-W576 HydrophobicContact CG-CH2 3.73Å; E545-W576 HydrophobicContact CG-CZ2 3.61Å; E545-R580 IonicContact OE1-CZ 3.38Å; E545-R580 IonicContact OE1-NE 3.91Å; E545-R580 IonicContact OE1-NH2 2.59Å; E545-R580 PolarHBondContact OE1-NH2 2.82Å
546	D	90.6	Very high	86.2	Confident	77 Å²	77	67.4 Å²	67.4	41%	0.412	35%	0.351	S	S	.	.	H	α-helix	trans	-58.2	-42.7	171.8	169.8	69.5	0	0	0	111.4	K542 F548 L549 K550	K542-D546 PolarHBondContact O-N 2.96Å; D546-F548 VanDerWaalsContact C-N 3.35Å; D546-F548 PolarHBondContact O-N 2.86Å; D546-L549 PolarHBondContact O-N 2.99Å; D546-K550 WeakPolarHBondContact O-CG 3.41Å; D546-K550 PolarHBondContact O-N 3.17Å; D546-K550 WeakPolarHBondContact OD1-CE 3.34Å; D546-K550 IonicContact OD1-NZ 2.76Å; D546-K550 PolarHBondContact OD1-NZ 3.31Å; D546-K550 WeakPolarHBondContact OD2-CE 3.36Å; D546-K550 IonicContact OD2-NZ 2.72Å; D546-K550 PolarHBondContact OD2-NZ 2.88Å
547	S	91	Very high	86.9	Confident	3 Å²	3	70 Å²	70	2%	0.021	38%	0.376	C	S	.	.	H	α-helix	trans	-70.9	-26.4	174.8	-165.1	0	0	0	0	113.6	I543 L544 E545 K550 S551	I543-S547 PolarHBondContact O-N 2.91Å; I543-S547 VanDerWaalsContact O-N 3.08Å; L544-S547 PolarHBondContact O-N 3.46Å; E545-S547 VanDerWaalsContact C-N 3.29Å; E545-S547 PolarHBondContact O-N 3.47Å; S547-K550 PolarHBondContact O-N 2.77Å; S547-S551 PolarHBondContact O-N 2.89Å; S547-S551 VanDerWaalsContact O-O 3.08Å
548	F	92.1	Very high	87.4	Confident	27 Å²	27	67.1 Å²	67.1	12%	0.118	36%	0.357	C	S	.	.	H	α-helix	trans	-73	-35.5	174.5	-172.5	-87.3	0	0	0	112.8	L544 E545 D546 K550 S551 S552 W576 F577 R580 R581	L544-F548 WeakPolarHBondContact O-CB 3.48Å; L544-F548 PolarHBondContact O-N 3.39Å; E545-F548 WeakPolarHBondContact O-CB 3.25Å; E545-F548 PolarHBondContact O-N 3.15Å; E545-F548 VanDerWaalsContact O-N 3.1Å; D546-F548 VanDerWaalsContact C-N 3.35Å; D546-F548 PolarHBondContact O-N 2.86Å; F548-K550 VanDerWaalsContact C-N 3.3Å; F548-S551 WeakPolarHBondContact CA-O 3.49Å; F548-S551 CarbonylContact O-C 3.56Å; F548-S551 VanDerWaalsContact O-C 3.31Å; F548-S552 PolarHBondContact O-N 3Å; F548-W576 HydrophobicContact CB-CH2 4.03Å; F548-W576 HydrophobicContact CB-CZ3 3.97Å; F548-W576 HydrophobicContact CD2-CH2 4.47Å; F548-W576 AromaticContact CD2-CZ3 4Å; F548-W576 HydrophobicContact CD2-CZ3 4Å; F548-W576 HydrophobicContact CG-CH2 4.41Å; F548-W576 HydrophobicContact CG-CZ3 4.29Å; F548-F577 HydrophobicContact CB-CE1 3.87Å; F548-F577 HydrophobicContact CB-CZ 4.29Å; F548-F577 AromaticContact CD2-CD1 3.58Å; F548-F577 HydrophobicContact CD2-CD1 3.58Å; F548-F577 AromaticContact CD2-CE1 3.71Å; F548-F577 HydrophobicContact CD2-CE1 3.71Å; F548-F577 HydrophobicContact CD2-CG 4.47Å; F548-F577 HydrophobicContact CE2-CD1 4.29Å; F548-F577 HydrophobicContact CG-CE1 4.25Å; F548-R580 HydrophobicContact CD1-CG 4.14Å; F548-R580 HydrophobicContact CD2-CB 3.93Å; F548-R580 HydrophobicContact CD2-CG 3.87Å; F548-R580 HydrophobicContact CE1-CG 4Å; F548-R580 HydrophobicContact CE2-CB 3.59Å; F548-R580 HydrophobicContact CE2-CG 3.73Å; F548-R580 HydrophobicContact CG-CG 4.1Å; F548-R580 HydrophobicContact CZ-CB 4.02Å; F548-R580 HydrophobicContact CZ-CG 3.8Å; F548-R581 HydrophobicContact CE2-CG 3.99Å; F548-R581 HydrophobicContact CZ-CG 4.31Å
549	L	87.1	Confident	88	Confident	151 Å²	151	59.1 Å²	59.1	79%	0.791	32%	0.319	S	S	*	.	H	α-helix	trans	-66.8	-33.3	172.3	-68.3	169.5	0	0	0	111.4	E545 D546	E545-L549 WeakPolarHBondContact O-CG 3.32Å; E545-L549 PolarHBondContact O-N 3.21Å; D546-L549 PolarHBondContact O-N 2.99Å
550	K	85	Confident	88.4	Confident	137 Å²	137	59.9 Å²	59.9	60%	0.596	31%	0.313	S	S	*	.	H	α-helix	trans	-75.9	-44.6	174.2	-69.5	164.5	-175.4	169.5	0	112.6	D546 S547 F548	D546-K550 WeakPolarHBondContact O-CG 3.41Å; D546-K550 PolarHBondContact O-N 3.17Å; D546-K550 WeakPolarHBondContact OD1-CE 3.34Å; D546-K550 IonicContact OD1-NZ 2.76Å; D546-K550 PolarHBondContact OD1-NZ 3.31Å; D546-K550 WeakPolarHBondContact OD2-CE 3.36Å; D546-K550 IonicContact OD2-NZ 2.72Å; D546-K550 PolarHBondContact OD2-NZ 2.88Å; S547-K550 PolarHBondContact O-N 2.77Å; F548-K550 VanDerWaalsContact C-N 3.3Å
551	S	81.1	Confident	88.7	Confident	35 Å²	35	62.8 Å²	62.8	25%	0.245	32%	0.323	C	S	.	.			trans	-149.3	126.2	171.8	-177.8	0	0	0	0	112.5	S547 F548 F553 F577	S547-S551 PolarHBondContact O-N 2.89Å; S547-S551 VanDerWaalsContact O-O 3.08Å; F548-S551 WeakPolarHBondContact CA-O 3.49Å; F548-S551 CarbonylContact O-C 3.56Å; F548-S551 VanDerWaalsContact O-C 3.31Å; S551-F553 PolarHBondContact O-N 3.37Å; S551-F553 PolarHBondContact OG-N 2.63Å; S551-F553 PolarHBondContact OG-O 2.73Å; S551-F577 WeakPolarHBondContact O-CE1 3.38Å
552	S	85.4	Confident	88.9	Confident	31 Å²	31	61.1 Å²	61.1	22%	0.217	31%	0.312	C	S	.	.	S	Bend	trans	-68.3	-10.1	168.4	-71.2	0	0	0	0	113.8	F548 R581 R584	F548-S552 PolarHBondContact O-N 3Å; S552-R581 WeakPolarHBondContact O-CD 3.22Å; S552-R581 PolarHBondContact O-NH1 2.77Å; S552-R584 PolarHBondContact OG-NH1 3.08Å
553	F	84.2	Confident	89	Confident	86 Å²	86	58.8 Å²	58.8	38%	0.377	30%	0.3	S	S	.	.	S	Bend	trans	-137	87.3	176.9	-69.4	-90.7	0	0	0	109	S551 T555 R581 W652	S551-F553 PolarHBondContact O-N 3.37Å; S551-F553 PolarHBondContact OG-N 2.63Å; S551-F553 PolarHBondContact OG-O 2.73Å; F553-T555 PolarHBondContact O-N 2.82Å; F553-R581 VanDerWaalsContact CD1-NH1 3.29Å; F553-W652 HydrophobicContact CD2-CB 4.47Å; F553-W652 HydrophobicContact CE2-CB 3.85Å; F553-W652 AromaticContact CE2-CD1 3.5Å; F553-W652 HydrophobicContact CE2-CD2 4.03Å; F553-W652 AromaticContact CE2-CG 3.53Å; F553-W652 HydrophobicContact CE2-CG 3.53Å; F553-W652 AromaticContact CE2-NE1 3.98Å; F553-W652 AromaticContact CZ-CD1 3.56Å; F553-W652 HydrophobicContact CZ-CD2 4.19Å; F553-W652 AromaticContact CZ-CE2 3.95Å; F553-W652 AromaticContact CZ-CG 3.96Å; F553-W652 HydrophobicContact CZ-CG 3.96Å; F553-W652 AromaticContact CZ-NE1 3.58Å
554	P	86.4	Confident	89.1	Confident	19 Å²	19	61.5 Å²	61.5	12%	0.123	32%	0.318	C	S	.	.			trans	-57.8	134.4	-179.4	-25.4	34.7	0	0	0	111.6	E558 L559 L562 F577	P554-E558 HydrophobicContact CB-CB 3.96Å; P554-L559 HydrophobicContact CB-CD2 3.81Å; P554-L559 HydrophobicContact CB-CG 4.03Å; P554-L559 HydrophobicContact CG-CD2 4.24Å; P554-L562 HydrophobicContact CG-CD1 4.39Å; P554-F577 VanDerWaalsContact CD-CD1 3.41Å; P554-F577 HydrophobicContact CG-CD1 3.51Å; P554-F577 HydrophobicContact CG-CD2 4.08Å; P554-F577 HydrophobicContact CG-CE1 3.21Å; P554-F577 HydrophobicContact CG-CE2 3.84Å; P554-F577 HydrophobicContact CG-CG 3.96Å; P554-F577 HydrophobicContact CG-CZ 3.4Å; P554-F577 VanDerWaalsContact CG-CZ 3.4Å
555	T	87.2	Confident	89	Confident	82 Å²	82	66.1 Å²	66.1	50%	0.503	34%	0.34	S	S	.	.			trans	-69.2	165.2	170.7	61.2	0	0	0	0	110.7	F553 A557 E558 L559	F553-T555 PolarHBondContact O-N 2.82Å; T555-A557 VanDerWaalsContact C-N 3.3Å; T555-A557 PolarHBondContact O-N 3.42Å; T555-E558 WeakPolarHBondContact CB-OE2 3.36Å; T555-E558 PolarHBondContact N-OE2 3.37Å; T555-E558 WeakPolarHBondContact O-CA 3.44Å; T555-E558 WeakPolarHBondContact O-CB 3.47Å; T555-E558 PolarHBondContact O-N 2.98Å; T555-E558 VanDerWaalsContact OG1-CG 3.28Å; T555-E558 WeakPolarHBondContact OG1-CG 3.09Å; T555-E558 PolarHBondContact OG1-OE2 3.38Å; T555-L559 PolarHBondContact O-N 2.84Å
556	Q	85.8	Confident	88.7	Confident	83 Å²	83	63 Å²	63	39%	0.388	33%	0.325	S	S	.	.	H	α-helix	trans	-56.9	-42.3	-175.7	-177	56.3	48.5	0	0	112.9	E558 L559 D560	Q556-E558 VanDerWaalsContact C-N 3.26Å; Q556-E558 PolarHBondContact O-N 2.82Å; Q556-L559 PolarHBondContact O-N 3.14Å; Q556-D560 VanDerWaalsContact NE2-CG 3.27Å; Q556-D560 PolarHBondContact NE2-OD1 3.29Å; Q556-D560 PolarHBondContact NE2-OD2 2.94Å; Q556-D560 PolarHBondContact O-N 3.47Å
557	A	89	Confident	88.6	Confident	73 Å²	73	68.2 Å²	68.2	60%	0.603	34%	0.344	S	S	*	.	H	α-helix	trans	-63.5	-31.5	176.5	0	0	0	0	0	112.8	T555 R561	T555-A557 VanDerWaalsContact C-N 3.3Å; T555-A557 PolarHBondContact O-N 3.42Å; A557-R561 WeakPolarHBondContact O-CB 3.2Å; A557-R561 PolarHBondContact O-N 3.07Å
558	E	89.6	Confident	88.4	Confident	35 Å²	35	68.6 Å²	68.6	16%	0.164	35%	0.346	C	S	.	.	H	α-helix	trans	-76.7	-38.7	175.9	-62.1	177.8	100.8	0	0	112.2	P554 T555 Q556 D560 R561 L562	P554-E558 HydrophobicContact CB-CB 3.96Å; T555-E558 WeakPolarHBondContact CB-OE2 3.36Å; T555-E558 PolarHBondContact N-OE2 3.37Å; T555-E558 WeakPolarHBondContact O-CA 3.44Å; T555-E558 WeakPolarHBondContact O-CB 3.47Å; T555-E558 PolarHBondContact O-N 2.98Å; T555-E558 VanDerWaalsContact OG1-CG 3.28Å; T555-E558 WeakPolarHBondContact OG1-CG 3.09Å; T555-E558 PolarHBondContact OG1-OE2 3.38Å; Q556-E558 VanDerWaalsContact C-N 3.26Å; Q556-E558 PolarHBondContact O-N 2.82Å; E558-D560 PolarHBondContact O-N 2.91Å; E558-R561 PolarHBondContact O-N 3.1Å; E558-R561 IonicContact OE1-NH2 3.24Å; E558-L562 VanDerWaalsContact O-CB 3.27Å; E558-L562 WeakPolarHBondContact O-CB 3.22Å; E558-L562 WeakPolarHBondContact O-CG 3.47Å; E558-L562 PolarHBondContact O-N 2.97Å
559	L	90.6	Very high	88.3	Confident	7 Å²	7	69.7 Å²	69.7	4%	0.037	36%	0.357	C	S	.	.	H	α-helix	trans	-58.7	-39	171.3	-69.6	177.2	0	0	0	111.3	P554 T555 Q556 R563 I573	P554-L559 HydrophobicContact CB-CD2 3.81Å; P554-L559 HydrophobicContact CB-CG 4.03Å; P554-L559 HydrophobicContact CG-CD2 4.24Å; T555-L559 PolarHBondContact O-N 2.84Å; Q556-L559 PolarHBondContact O-N 3.14Å; L559-R563 WeakPolarHBondContact O-CB 3.24Å; L559-R563 PolarHBondContact O-N 3.33Å; L559-I573 HydrophobicContact CD2-CG2 3.73Å
560	D	90.3	Very high	88.4	Confident	58 Å²	58	67.4 Å²	67.4	31%	0.31	34%	0.338	S	S	.	.	H	α-helix	trans	-76.5	-37.3	-179.9	-66.6	-30.4	0	0	0	112.6	Q556 E558 R563 V564	Q556-D560 VanDerWaalsContact NE2-CG 3.27Å; Q556-D560 PolarHBondContact NE2-OD1 3.29Å; Q556-D560 PolarHBondContact NE2-OD2 2.94Å; Q556-D560 PolarHBondContact O-N 3.47Å; E558-D560 PolarHBondContact O-N 2.91Å; D560-R563 WeakPolarHBondContact O-CB 3.47Å; D560-R563 PolarHBondContact O-N 2.97Å; D560-R563 IonicContact OD1-CZ 2.76Å; D560-R563 IonicContact OD1-NE 2.74Å; D560-R563 PolarHBondContact OD1-NE 3.46Å; D560-R563 IonicContact OD1-NH2 3.61Å; D560-R563 PolarHBondContact OD1-NH2 2.95Å; D560-V564 PolarHBondContact O-N 2.62Å
561	R	93.5	Very high	88.5	Confident	101 Å²	101	68 Å²	68	38%	0.381	34%	0.337	S	S	.	.	H	α-helix	trans	-58.4	-51.6	167.1	-178	-175.4	67.4	-118.2	-2.8	111.4	A557 E558 R563 V564 E565	A557-R561 WeakPolarHBondContact O-CB 3.2Å; A557-R561 PolarHBondContact O-N 3.07Å; E558-R561 PolarHBondContact O-N 3.1Å; E558-R561 IonicContact OE1-NH2 3.24Å; R561-R563 PolarHBondContact O-N 2.84Å; R561-V564 PolarHBondContact O-N 2.81Å; R561-E565 VanDerWaalsContact CD-OE1 3.26Å; R561-E565 WeakPolarHBondContact CD-OE1 3.3Å; R561-E565 HydrophobicContact CG-CG 4.25Å; R561-E565 WeakPolarHBondContact CG-OE1 3.32Å; R561-E565 IonicContact NE-OE1 3.59Å; R561-E565 WeakPolarHBondContact O-CG 3.42Å; R561-E565 PolarHBondContact O-N 3.27Å
562	L	92.4	Very high	88.9	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-59.4	-34.7	177.9	-75.2	172.9	0	0	0	112.2	I543 L544 P554 E558 V564 T566 I573 F577	I543-L562 HydrophobicContact CG2-CD2 3.71Å; L544-L562 HydrophobicContact CD2-CD1 4.4Å; L544-L562 HydrophobicContact CD2-CD2 4.3Å; P554-L562 HydrophobicContact CG-CD1 4.39Å; E558-L562 VanDerWaalsContact O-CB 3.27Å; E558-L562 WeakPolarHBondContact O-CB 3.22Å; E558-L562 WeakPolarHBondContact O-CG 3.47Å; E558-L562 PolarHBondContact O-N 2.97Å; L562-V564 VanDerWaalsContact C-N 3.33Å; L562-V564 PolarHBondContact O-N 3.38Å; L562-T566 HydrophobicContact CD2-CG2 4.46Å; L562-T566 VanDerWaalsContact O-CB 3.31Å; L562-T566 WeakPolarHBondContact O-CB 3.4Å; L562-T566 WeakPolarHBondContact O-CG2 3.49Å; L562-T566 PolarHBondContact O-N 3.44Å; L562-T566 PolarHBondContact O-OG1 3.09Å; L562-I573 HydrophobicContact CB-CD1 4.03Å; L562-I573 HydrophobicContact CB-CG2 4.44Å; L562-I573 HydrophobicContact CD1-CG2 4.06Å; L562-F577 HydrophobicContact CD1-CE2 3.75Å; L562-F577 HydrophobicContact CD1-CZ 3.97Å
563	R	93.2	Very high	89.1	Confident	106 Å²	106	67.3 Å²	67.3	40%	0.4	33%	0.326	S	S	.	.	H	α-helix	trans	-60.9	-41.4	174.6	-160.4	-163.1	-57.3	-149.3	7.3	111.7	L559 D560 R561 K567 L568 I573	L559-R563 WeakPolarHBondContact O-CB 3.24Å; L559-R563 PolarHBondContact O-N 3.33Å; D560-R563 WeakPolarHBondContact O-CB 3.47Å; D560-R563 PolarHBondContact O-N 2.97Å; D560-R563 IonicContact OD1-CZ 2.76Å; D560-R563 IonicContact OD1-NE 2.74Å; D560-R563 PolarHBondContact OD1-NE 3.46Å; D560-R563 IonicContact OD1-NH2 3.61Å; D560-R563 PolarHBondContact OD1-NH2 2.95Å; R561-R563 PolarHBondContact O-N 2.84Å; R563-K567 VanDerWaalsContact O-CA 3.24Å; R563-K567 WeakPolarHBondContact O-CA 3.25Å; R563-K567 PolarHBondContact O-N 2.99Å; R563-K567 VanDerWaalsContact O-N 3.08Å; R563-L568 WeakPolarHBondContact CG-O 3.48Å; R563-I573 HydrophobicContact CB-CD1 4.24Å
564	V	91.9	Very high	89.4	Confident	112 Å²	112	65.7 Å²	65.7	68%	0.679	32%	0.321	S	S	*	.	H	α-helix	trans	-72.5	-48.9	177.1	176.9	0	0	0	0	111.3	D560 R561 L562	D560-V564 PolarHBondContact O-N 2.62Å; R561-V564 PolarHBondContact O-N 2.81Å; L562-V564 VanDerWaalsContact C-N 3.33Å; L562-V564 PolarHBondContact O-N 3.38Å
565	E	90.1	Very high	89.6	Confident	97 Å²	97	68 Å²	68	45%	0.453	34%	0.338	S	S	.	.	H	α-helix	trans	-66.3	-45.3	-176.3	-70.2	172.2	175.5	0	0	112.7	I543 R561	I543-E565 HydrophobicContact CD1-CB 4.48Å; I543-E565 HydrophobicContact CG2-CB 4.09Å; I543-E565 WeakPolarHBondContact CG2-OE2 3.42Å; R561-E565 VanDerWaalsContact CD-OE1 3.26Å; R561-E565 WeakPolarHBondContact CD-OE1 3.3Å; R561-E565 HydrophobicContact CG-CG 4.25Å; R561-E565 WeakPolarHBondContact CG-OE1 3.32Å; R561-E565 IonicContact NE-OE1 3.59Å; R561-E565 WeakPolarHBondContact O-CG 3.42Å; R561-E565 PolarHBondContact O-N 3.27Å
566	T	86.5	Confident	89.9	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.012	32%	0.318	C	S	.	.	H	α-helix	trans	-89	-19.7	-177.6	69.6	0	0	0	0	113.4	Q540 I543 L544 L562 L568	Q540-T566 PolarHBondContact NE2-O 3.16Å; I543-T566 HydrophobicContact CB-CG2 4.03Å; I543-T566 HydrophobicContact CG2-CG2 3.7Å; L544-T566 HydrophobicContact CD2-CG2 4.07Å; L544-T566 HydrophobicContact CG-CG2 4.05Å; L562-T566 HydrophobicContact CD2-CG2 4.46Å; L562-T566 VanDerWaalsContact O-CB 3.31Å; L562-T566 WeakPolarHBondContact O-CB 3.4Å; L562-T566 WeakPolarHBondContact O-CG2 3.49Å; L562-T566 PolarHBondContact O-N 3.44Å; L562-T566 PolarHBondContact O-OG1 3.09Å; T566-L568 PolarHBondContact O-N 3.22Å; T566-L568 WeakPolarHBondContact OG1-CB 3.4Å; T566-L568 PolarHBondContact OG1-N 3.21Å
567	K	88.6	Confident	90.2	Very high	186 Å²	186	61.2 Å²	61.2	81%	0.809	30%	0.299	S	S	*	.			trans	57.1	23.2	-170.4	-54.3	-175.6	-179.5	-178.2	0	114.1	R563	R563-K567 VanDerWaalsContact O-CA 3.24Å; R563-K567 WeakPolarHBondContact O-CA 3.25Å; R563-K567 PolarHBondContact O-N 2.99Å; R563-K567 VanDerWaalsContact O-N 3.08Å
568	L	86.6	Confident	90.3	Very high	11 Å²	11	60.4 Å²	60.4	6%	0.058	29%	0.29	C	S	.	.			trans	-91.4	153.7	172.5	-62.2	169.9	0	0	0	110.4	K536 Q540 L544 R563 T566 E572 I573	K536-L568 HydrophobicContact CD-CD1 3.95Å; K536-L568 HydrophobicContact CD-CD2 4.48Å; K536-L568 HydrophobicContact CG-CD1 4.34Å; K536-L568 HydrophobicContact CG-CD2 4.23Å; Q540-L568 HydrophobicContact CB-CD1 4.42Å; L544-L568 HydrophobicContact CD1-CD1 3.83Å; R563-L568 WeakPolarHBondContact CG-O 3.48Å; T566-L568 PolarHBondContact O-N 3.22Å; T566-L568 WeakPolarHBondContact OG1-CB 3.4Å; T566-L568 PolarHBondContact OG1-N 3.21Å; L568-E572 HydrophobicContact CB-CB 4.41Å; L568-I573 HydrophobicContact CB-CD1 4.32Å; L568-I573 HydrophobicContact CB-CG1 3.97Å
569	S	90.6	Very high	90.4	Very high	50 Å²	50	63.7 Å²	63.7	35%	0.35	31%	0.305	S	S	.	.			trans	-70.5	151.7	174.4	67.8	0	0	0	0	111.4	R571 E572 I573	S569-R571 PolarHBondContact O-N 2.86Å; S569-E572 WeakPolarHBondContact CB-OE2 3.42Å; S569-E572 PolarHBondContact N-OE2 2.91Å; S569-E572 WeakPolarHBondContact O-CB 3.34Å; S569-E572 PolarHBondContact O-N 3.34Å; S569-E572 VanDerWaalsContact OG-CG 3.31Å; S569-E572 WeakPolarHBondContact OG-CG 3.26Å; S569-E572 PolarHBondContact OG-N 2.83Å; S569-E572 PolarHBondContact OG-OE2 3.1Å; S569-I573 WeakPolarHBondContact O-CG1 3.47Å; S569-I573 PolarHBondContact O-N 3.49Å
570	R	87.4	Confident	90.3	Very high	104 Å²	104	68 Å²	68	39%	0.392	32%	0.32	S	S	.	.	H	α-helix	trans	-50.6	-42.4	174.6	178.8	-178.8	175.6	174.3	14.6	112	E572 I573 D574	R570-E572 VanDerWaalsContact C-N 3.32Å; R570-E572 PolarHBondContact O-N 3.37Å; R570-I573 PolarHBondContact O-N 3.2Å; R570-D574 VanDerWaalsContact CG-OD2 3.27Å; R570-D574 WeakPolarHBondContact CG-OD2 3.49Å; R570-D574 IonicContact NE-OD2 3.62Å; R570-D574 PolarHBondContact NE-OD2 2.96Å; R570-D574 WeakPolarHBondContact O-CB 3.43Å; R570-D574 PolarHBondContact O-N 2.81Å
571	R	88.1	Confident	90.4	Very high	150 Å²	150	66.9 Å²	66.9	57%	0.566	31%	0.312	S	S	*	.	H	α-helix	trans	-59.9	-37.8	177.8	-60.3	-165.1	-70.3	-169.8	8.4	112.5	D527 F528 S569 S575	D527-R571 IonicContact OD2-CZ 2.66Å; D527-R571 IonicContact OD2-NH1 3Å; D527-R571 IonicContact OD2-NH2 3.29Å; D527-R571 PolarHBondContact OD2-NH2 3.38Å; F528-R571 VanDerWaalsContact CZ-NH1 3.29Å; S569-R571 PolarHBondContact O-N 2.86Å; R571-S575 WeakPolarHBondContact O-CB 3.38Å; R571-S575 PolarHBondContact O-N 2.86Å
572	E	88.4	Confident	90.2	Very high	50 Å²	50	69.6 Å²	69.6	23%	0.234	33%	0.327	C	S	.	.	H	α-helix	trans	-74.5	-35.8	176	-71	170.1	88.5	0	0	113.3	K536 L568 S569 R570 W576	K536-E572 IonicContact NZ-OE1 3.94Å; K536-E572 PolarHBondContact NZ-OE1 2.95Å; L568-E572 HydrophobicContact CB-CB 4.41Å; S569-E572 WeakPolarHBondContact CB-OE2 3.42Å; S569-E572 PolarHBondContact N-OE2 2.91Å; S569-E572 WeakPolarHBondContact O-CB 3.34Å; S569-E572 PolarHBondContact O-N 3.34Å; S569-E572 VanDerWaalsContact OG-CG 3.31Å; S569-E572 WeakPolarHBondContact OG-CG 3.26Å; S569-E572 PolarHBondContact OG-N 2.83Å; S569-E572 PolarHBondContact OG-OE2 3.1Å; R570-E572 VanDerWaalsContact C-N 3.32Å; R570-E572 PolarHBondContact O-N 3.37Å; E572-W576 WeakPolarHBondContact O-CB 3.36Å; E572-W576 PolarHBondContact O-N 2.95Å
573	I	91.4	Very high	89.8	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-65.6	-53.8	175.8	-63.3	166.4	0	0	0	108.9	L544 L559 L562 R563 L568 S569 R570 S575 W576 F577	L544-I573 HydrophobicContact CD2-CG1 4.23Å; L544-I573 HydrophobicContact CD2-CG2 4.04Å; L559-I573 HydrophobicContact CD2-CG2 3.73Å; L562-I573 HydrophobicContact CB-CD1 4.03Å; L562-I573 HydrophobicContact CB-CG2 4.44Å; L562-I573 HydrophobicContact CD1-CG2 4.06Å; R563-I573 HydrophobicContact CB-CD1 4.24Å; L568-I573 HydrophobicContact CB-CD1 4.32Å; L568-I573 HydrophobicContact CB-CG1 3.97Å; S569-I573 WeakPolarHBondContact O-CG1 3.47Å; S569-I573 PolarHBondContact O-N 3.49Å; R570-I573 PolarHBondContact O-N 3.2Å; I573-S575 VanDerWaalsContact C-N 3.25Å; I573-S575 PolarHBondContact O-N 3.41Å; I573-W576 PolarHBondContact O-N 3.05Å; I573-W576 VanDerWaalsContact O-N 3.14Å; I573-F577 HydrophobicContact CG2-CD2 3.79Å; I573-F577 HydrophobicContact CG2-CE2 3.92Å; I573-F577 WeakPolarHBondContact O-CD2 3.3Å; I573-F577 PolarHBondContact O-N 2.8Å
574	D	89.5	Confident	89.5	Confident	52 Å²	52	72.3 Å²	72.3	28%	0.278	34%	0.344	S	S	.	.	H	α-helix	trans	-58.2	-36.5	177.4	-76.6	-42	0	0	0	112.3	R570 S578	R570-D574 VanDerWaalsContact CG-OD2 3.27Å; R570-D574 WeakPolarHBondContact CG-OD2 3.49Å; R570-D574 IonicContact NE-OD2 3.62Å; R570-D574 PolarHBondContact NE-OD2 2.96Å; R570-D574 WeakPolarHBondContact O-CB 3.43Å; R570-D574 PolarHBondContact O-N 2.81Å; D574-S578 VanDerWaalsContact O-CB 3.31Å; D574-S578 WeakPolarHBondContact O-CB 3.26Å; D574-S578 PolarHBondContact O-N 3.35Å; D574-S578 PolarHBondContact O-OG 3.46Å
575	S	90.3	Very high	89.2	Confident	67 Å²	67	69.4 Å²	69.4	47%	0.469	32%	0.324	S	S	.	.	H	α-helix	trans	-65.8	-50.7	173.6	-172.6	0	0	0	0	112	R571 I573 F577 S578 E579	R571-S575 WeakPolarHBondContact O-CB 3.38Å; R571-S575 PolarHBondContact O-N 2.86Å; I573-S575 VanDerWaalsContact C-N 3.25Å; I573-S575 PolarHBondContact O-N 3.41Å; S575-F577 PolarHBondContact O-N 3.2Å; S575-S578 WeakPolarHBondContact O-CB 3.24Å; S575-S578 PolarHBondContact O-N 3.04Å; S575-S578 VanDerWaalsContact O-N 3.09Å; S575-E579 PolarHBondContact O-N 2.95Å
576	W	93	Very high	88.9	Confident	23 Å²	23	68.5 Å²	68.5	9%	0.087	33%	0.329	C	S	.	.	H	α-helix	trans	-60.2	-42.9	178.2	-178.5	95.7	0	0	0	111.8	L544 E545 F548 E572 I573 S578 E579 R580	L544-W576 HydrophobicContact CB-CD2 3.97Å; L544-W576 HydrophobicContact CB-CE3 3.75Å; L544-W576 HydrophobicContact CB-CH2 3.72Å; L544-W576 HydrophobicContact CB-CZ2 3.9Å; L544-W576 HydrophobicContact CB-CZ3 3.64Å; L544-W576 HydrophobicContact CD1-CB 4.47Å; L544-W576 HydrophobicContact CD1-CD2 3.83Å; L544-W576 HydrophobicContact CD1-CE3 4.26Å; L544-W576 HydrophobicContact CD1-CG 3.9Å; L544-W576 HydrophobicContact CD2-CE3 4.49Å; L544-W576 HydrophobicContact CG-CD2 4.42Å; L544-W576 HydrophobicContact CG-CE3 4.39Å; L544-W576 WeakPolarHBondContact O-CZ3 3.31Å; E545-W576 HydrophobicContact CB-CH2 4.47Å; E545-W576 HydrophobicContact CG-CH2 3.73Å; E545-W576 HydrophobicContact CG-CZ2 3.61Å; F548-W576 HydrophobicContact CB-CH2 4.03Å; F548-W576 HydrophobicContact CB-CZ3 3.97Å; F548-W576 HydrophobicContact CD2-CH2 4.47Å; F548-W576 AromaticContact CD2-CZ3 4Å; F548-W576 HydrophobicContact CD2-CZ3 4Å; F548-W576 HydrophobicContact CG-CH2 4.41Å; F548-W576 HydrophobicContact CG-CZ3 4.29Å; E572-W576 WeakPolarHBondContact O-CB 3.36Å; E572-W576 PolarHBondContact O-N 2.95Å; I573-W576 PolarHBondContact O-N 3.05Å; I573-W576 VanDerWaalsContact O-N 3.14Å; W576-S578 VanDerWaalsContact C-N 3.32Å; W576-S578 PolarHBondContact O-N 3.05Å; W576-E579 PolarHBondContact O-N 2.91Å; W576-R580 HydrophobicContact CE3-CB 4.4Å; W576-R580 HydrophobicContact CH2-CB 4.2Å; W576-R580 HydrophobicContact CH2-CG 3.87Å; W576-R580 HydrophobicContact CZ2-CB 4.49Å; W576-R580 HydrophobicContact CZ2-CG 4.18Å; W576-R580 HydrophobicContact CZ3-CB 4.16Å; W576-R580 HydrophobicContact CZ3-CG 4.27Å; W576-R580 WeakPolarHBondContact O-CB 3.44Å; W576-R580 PolarHBondContact O-N 3.45Å
577	F	93.8	Very high	88.5	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-63.6	-37.6	175.2	-90.3	-93.3	0	0	0	111.8	L544 F548 S551 P554 L562 I573 S575 R581	L544-F577 HydrophobicContact CD2-CE2 3.84Å; F548-F577 HydrophobicContact CB-CE1 3.87Å; F548-F577 HydrophobicContact CB-CZ 4.29Å; F548-F577 AromaticContact CD2-CD1 3.58Å; F548-F577 HydrophobicContact CD2-CD1 3.58Å; F548-F577 AromaticContact CD2-CE1 3.71Å; F548-F577 HydrophobicContact CD2-CE1 3.71Å; F548-F577 HydrophobicContact CD2-CG 4.47Å; F548-F577 HydrophobicContact CE2-CD1 4.29Å; F548-F577 HydrophobicContact CG-CE1 4.25Å; S551-F577 WeakPolarHBondContact O-CE1 3.38Å; P554-F577 VanDerWaalsContact CD-CD1 3.41Å; P554-F577 HydrophobicContact CG-CD1 3.51Å; P554-F577 HydrophobicContact CG-CD2 4.08Å; P554-F577 HydrophobicContact CG-CE1 3.21Å; P554-F577 HydrophobicContact CG-CE2 3.84Å; P554-F577 HydrophobicContact CG-CG 3.96Å; P554-F577 HydrophobicContact CG-CZ 3.4Å; P554-F577 VanDerWaalsContact CG-CZ 3.4Å; L562-F577 HydrophobicContact CD1-CE2 3.75Å; L562-F577 HydrophobicContact CD1-CZ 3.97Å; I573-F577 HydrophobicContact CG2-CD2 3.79Å; I573-F577 HydrophobicContact CG2-CE2 3.92Å; I573-F577 WeakPolarHBondContact O-CD2 3.3Å; I573-F577 PolarHBondContact O-N 2.8Å; S575-F577 PolarHBondContact O-N 3.2Å; F577-R581 WeakPolarHBondContact O-CB 3.3Å; F577-R581 VanDerWaalsContact O-CG 3.27Å; F577-R581 WeakPolarHBondContact O-CG 3.25Å; F577-R581 PolarHBondContact O-N 2.96Å; F577-R581 PolarHBondContact O-NE 3.33Å
578	S	89.9	Confident	88	Confident	57 Å²	57	70.3 Å²	70.3	40%	0.399	34%	0.342	S	S	.	.	H	α-helix	trans	-67.9	-40	175.7	-60.1	0	0	0	0	112.7	D574 S575 W576 R581 K582	D574-S578 VanDerWaalsContact O-CB 3.31Å; D574-S578 WeakPolarHBondContact O-CB 3.26Å; D574-S578 PolarHBondContact O-N 3.35Å; D574-S578 PolarHBondContact O-OG 3.46Å; S575-S578 WeakPolarHBondContact O-CB 3.24Å; S575-S578 PolarHBondContact O-N 3.04Å; S575-S578 VanDerWaalsContact O-N 3.09Å; W576-S578 VanDerWaalsContact C-N 3.32Å; W576-S578 PolarHBondContact O-N 3.05Å; S578-R581 PolarHBondContact OG-NH2 3.19Å; S578-K582 WeakPolarHBondContact O-CB 3.2Å; S578-K582 PolarHBondContact O-N 2.57Å
579	E	91.4	Very high	87.5	Confident	103 Å²	103	72.9 Å²	72.9	48%	0.481	35%	0.353	S	S	.	.	H	α-helix	trans	-66.5	-44	174.5	-176	165.4	-142.9	0	0	111.6	S575 W576 K582 L583	S575-E579 PolarHBondContact O-N 2.95Å; W576-E579 PolarHBondContact O-N 2.91Å; E579-K582 PolarHBondContact O-N 2.63Å; E579-L583 HydrophobicContact CG-CD1 4.23Å; E579-L583 WeakPolarHBondContact O-CG 3.4Å; E579-L583 PolarHBondContact O-N 2.92Å
580	R	89.7	Confident	86.7	Confident	97 Å²	97	72.8 Å²	72.8	37%	0.366	36%	0.356	S	S	.	.	H	α-helix	trans	-66.1	-39.7	177.8	-157.3	69	166.2	126.8	-11.8	112.2	E545 F548 W576 L583 R584	E545-R580 IonicContact OE1-CZ 3.38Å; E545-R580 IonicContact OE1-NE 3.91Å; E545-R580 IonicContact OE1-NH2 2.59Å; E545-R580 PolarHBondContact OE1-NH2 2.82Å; F548-R580 HydrophobicContact CD1-CG 4.14Å; F548-R580 HydrophobicContact CD2-CB 3.93Å; F548-R580 HydrophobicContact CD2-CG 3.87Å; F548-R580 HydrophobicContact CE1-CG 4Å; F548-R580 HydrophobicContact CE2-CB 3.59Å; F548-R580 HydrophobicContact CE2-CG 3.73Å; F548-R580 HydrophobicContact CG-CG 4.1Å; F548-R580 HydrophobicContact CZ-CB 4.02Å; F548-R580 HydrophobicContact CZ-CG 3.8Å; W576-R580 HydrophobicContact CE3-CB 4.4Å; W576-R580 HydrophobicContact CH2-CB 4.2Å; W576-R580 HydrophobicContact CH2-CG 3.87Å; W576-R580 HydrophobicContact CZ2-CB 4.49Å; W576-R580 HydrophobicContact CZ2-CG 4.18Å; W576-R580 HydrophobicContact CZ3-CB 4.16Å; W576-R580 HydrophobicContact CZ3-CG 4.27Å; W576-R580 WeakPolarHBondContact O-CB 3.44Å; W576-R580 PolarHBondContact O-N 3.45Å; R580-L583 PolarHBondContact O-N 3.24Å; R580-R584 PolarHBondContact O-N 3.42Å; R580-R584 VanDerWaalsContact O-N 3.13Å
581	R	90.9	Very high	86.2	Confident	36 Å²	36	71.5 Å²	71.5	14%	0.136	36%	0.359	C	S	.	.	H	α-helix	trans	-57	-51.9	168.2	-77.1	-178.2	-68.3	-111.8	5.8	111.1	F548 S552 F553 F577 S578 L583 R584 D585	F548-R581 HydrophobicContact CE2-CG 3.99Å; F548-R581 HydrophobicContact CZ-CG 4.31Å; S552-R581 WeakPolarHBondContact O-CD 3.22Å; S552-R581 PolarHBondContact O-NH1 2.77Å; F553-R581 VanDerWaalsContact CD1-NH1 3.29Å; F577-R581 WeakPolarHBondContact O-CB 3.3Å; F577-R581 VanDerWaalsContact O-CG 3.27Å; F577-R581 WeakPolarHBondContact O-CG 3.25Å; F577-R581 PolarHBondContact O-N 2.96Å; F577-R581 PolarHBondContact O-NE 3.33Å; S578-R581 PolarHBondContact OG-NH2 3.19Å; R581-L583 VanDerWaalsContact C-N 3.34Å; R581-L583 PolarHBondContact O-N 3.3Å; R581-R584 PolarHBondContact O-N 3.41Å; R581-D585 VanDerWaalsContact O-CG 3.25Å; R581-D585 PolarHBondContact O-N 3.02Å
582	K	89.9	Confident	85.5	Confident	158 Å²	158	68 Å²	68	69%	0.687	35%	0.351	S	S	*	.	H	α-helix	trans	-60.6	-39.4	-179.4	-176.2	-174.9	175.5	-170	0	112.9	S578 E579 S586	S578-K582 WeakPolarHBondContact O-CB 3.2Å; S578-K582 PolarHBondContact O-N 2.57Å; E579-K582 PolarHBondContact O-N 2.63Å; K582-S586 VanDerWaalsContact O-CB 3.28Å; K582-S586 WeakPolarHBondContact O-CB 3.28Å; K582-S586 PolarHBondContact O-N 3.4Å
583	L	85.1	Confident	84.8	Confident	99 Å²	99	70.3 Å²	70.3	52%	0.518	37%	0.365	S	S	.	.	H	α-helix	trans	-65.3	-43.9	176.9	-77.2	168	0	0	0	112	E579 R580 R581 S586 M587	E579-L583 HydrophobicContact CG-CD1 4.23Å; E579-L583 WeakPolarHBondContact O-CG 3.4Å; E579-L583 PolarHBondContact O-N 2.92Å; R580-L583 PolarHBondContact O-N 3.24Å; R581-L583 VanDerWaalsContact C-N 3.34Å; R581-L583 PolarHBondContact O-N 3.3Å; L583-S586 PolarHBondContact O-N 2.84Å; L583-M587 PolarHBondContact O-N 3Å
584	R	87	Confident	83.9	Confident	64 Å²	64	75.3 Å²	75.3	24%	0.242	40%	0.4	C	S	.	.	H	α-helix	trans	-60.2	-53.2	172.7	178.8	-158.2	61.5	-142.7	-4.6	110.9	S552 R580 R581 S586 M587 E588	S552-R584 PolarHBondContact OG-NH1 3.08Å; R580-R584 PolarHBondContact O-N 3.42Å; R580-R584 VanDerWaalsContact O-N 3.13Å; R581-R584 PolarHBondContact O-N 3.41Å; R584-S586 PolarHBondContact O-N 3Å; R584-M587 WeakPolarHBondContact O-CA 3.49Å; R584-M587 WeakPolarHBondContact O-CB 3.31Å; R584-M587 PolarHBondContact O-N 2.88Å; R584-E588 VanDerWaalsContact CD-OE1 3.25Å; R584-E588 WeakPolarHBondContact CD-OE1 3.3Å; R584-E588 HydrophobicContact CG-CG 4.32Å; R584-E588 VanDerWaalsContact CG-OE1 3.29Å; R584-E588 WeakPolarHBondContact CG-OE1 3.49Å; R584-E588 IonicContact NE-OE1 3.51Å; R584-E588 PolarHBondContact O-N 2.83Å
585	D	85.5	Confident	82.4	Confident	51 Å²	51	79.4 Å²	79.4	27%	0.273	42%	0.419	S	S	.	.	H	α-helix	trans	-59.9	-34.3	-177.3	-65.4	-0.4	0	0	0	111.6	R581 Q589 W652	R581-D585 VanDerWaalsContact O-CG 3.25Å; R581-D585 PolarHBondContact O-N 3.02Å; D585-Q589 VanDerWaalsContact O-CB 3.26Å; D585-Q589 WeakPolarHBondContact O-CB 3.12Å; D585-Q589 PolarHBondContact O-N 2.91Å; D585-W652 WeakPolarHBondContact OD2-CH2 3.48Å
586	S	84.1	Confident	80.5	Confident	79 Å²	79	79.1 Å²	79.1	55%	0.552	43%	0.427	S	S	*	.	H	α-helix	trans	-71.5	-33.3	174.1	-168	0	0	0	0	113.5	K582 L583 R584 A590	K582-S586 VanDerWaalsContact O-CB 3.28Å; K582-S586 WeakPolarHBondContact O-CB 3.28Å; K582-S586 PolarHBondContact O-N 3.4Å; L583-S586 PolarHBondContact O-N 2.84Å; R584-S586 PolarHBondContact O-N 3Å; S586-A590 PolarHBondContact O-N 3.49Å; S586-A590 VanDerWaalsContact O-N 3.12Å
587	M	76.9	Confident	78	Confident	132 Å²	132	83.9 Å²	83.9	65%	0.65	46%	0.464	S	S	*	.	H	α-helix	trans	-70.8	-46.3	174.7	-171	72.4	77.5	0	0	110.7	L583 R584 Q589 A590 V591	L583-M587 PolarHBondContact O-N 3Å; R584-M587 WeakPolarHBondContact O-CA 3.49Å; R584-M587 WeakPolarHBondContact O-CB 3.31Å; R584-M587 PolarHBondContact O-N 2.88Å; M587-Q589 VanDerWaalsContact C-N 3.3Å; M587-Q589 PolarHBondContact O-N 3.19Å; M587-A590 PolarHBondContact O-N 3.46Å; M587-V591 WeakPolarHBondContact O-CG2 3.5Å; M587-V591 PolarHBondContact O-N 3.17Å
588	E	78	Confident	75.3	Confident	93 Å²	93	87.5 Å²	87.5	44%	0.435	50%	0.501	S	S	.	.	H	α-helix	trans	-58.8	-41.8	174.7	-71	177.2	-170.4	0	0	111.4	R584 V591 L592	R584-E588 VanDerWaalsContact CD-OE1 3.25Å; R584-E588 WeakPolarHBondContact CD-OE1 3.3Å; R584-E588 HydrophobicContact CG-CG 4.32Å; R584-E588 VanDerWaalsContact CG-OE1 3.29Å; R584-E588 WeakPolarHBondContact CG-OE1 3.49Å; R584-E588 IonicContact NE-OE1 3.51Å; R584-E588 PolarHBondContact O-N 2.83Å; E588-V591 PolarHBondContact O-N 2.84Å; E588-L592 WeakPolarHBondContact O-CB 3.37Å; E588-L592 VanDerWaalsContact O-CG 3.29Å; E588-L592 WeakPolarHBondContact O-CG 3.34Å; E588-L592 PolarHBondContact O-N 3.15Å
589	Q	75.4	Confident	73.3	Confident	65 Å²	65	94.8 Å²	94.8	30%	0.304	53%	0.526	S	S	.	.	H	α-helix	trans	-60.5	-50.1	174.6	-176.3	59.8	48.1	0	0	111.8	D585 M587 V591 L592 D593	D585-Q589 VanDerWaalsContact O-CB 3.26Å; D585-Q589 WeakPolarHBondContact O-CB 3.12Å; D585-Q589 PolarHBondContact O-N 2.91Å; M587-Q589 VanDerWaalsContact C-N 3.3Å; M587-Q589 PolarHBondContact O-N 3.19Å; Q589-V591 VanDerWaalsContact C-N 3.31Å; Q589-V591 PolarHBondContact O-N 2.94Å; Q589-L592 PolarHBondContact O-N 3.27Å; Q589-D593 PolarHBondContact NE2-OD1 3.08Å; Q589-D593 PolarHBondContact NE2-OD2 3.29Å; Q589-D593 VanDerWaalsContact O-CG 3.27Å; Q589-D593 PolarHBondContact O-N 3.36Å
590	A	74.4	Confident	70.5	Confident	49 Å²	49	99 Å²	99	41%	0.405	54%	0.542	S	S	.	.	H	α-helix	trans	-62.3	-35.8	179.4	0	0	0	0	0	113.1	S586 M587 S594	S586-A590 PolarHBondContact O-N 3.49Å; S586-A590 VanDerWaalsContact O-N 3.12Å; M587-A590 PolarHBondContact O-N 3.46Å; A590-S594 WeakPolarHBondContact O-CB 3.38Å; A590-S594 PolarHBondContact O-N 3.02Å; A590-S594 PolarHBondContact O-OG 3.38Å
591	V	78.1	Confident	68	Low	77 Å²	77	97.8 Å²	97.8	47%	0.467	56%	0.56	S	S	.	*	H	α-helix	trans	-67.5	-42.3	174.6	167.8	0	0	0	0	111.4	M587 E588 Q589 S594 M595	M587-V591 WeakPolarHBondContact O-CG2 3.5Å; M587-V591 PolarHBondContact O-N 3.17Å; E588-V591 PolarHBondContact O-N 2.84Å; Q589-V591 VanDerWaalsContact C-N 3.31Å; Q589-V591 PolarHBondContact O-N 2.94Å; V591-S594 PolarHBondContact O-N 2.98Å; V591-M595 HydrophobicContact CG1-CE 3.89Å; V591-M595 PolarHBondContact O-N 3.45Å
592	L	73.3	Confident	65.1	Low	75 Å²	75	105 Å²	105	39%	0.393	60%	0.595	S	S	.	*	H	α-helix	trans	-66.6	-42.8	176.7	-72.3	169.5	0	0	0	112.2	E588 Q589 S594 M595 G596	E588-L592 WeakPolarHBondContact O-CB 3.37Å; E588-L592 VanDerWaalsContact O-CG 3.29Å; E588-L592 WeakPolarHBondContact O-CG 3.34Å; E588-L592 PolarHBondContact O-N 3.15Å; Q589-L592 PolarHBondContact O-N 3.27Å; L592-S594 VanDerWaalsContact C-N 3.29Å; L592-S594 PolarHBondContact O-N 2.94Å; L592-M595 HydrophobicContact CD2-CE 4.37Å; L592-M595 PolarHBondContact O-N 3.15Å; L592-M595 VanDerWaalsContact O-N 3.16Å; L592-G596 PolarHBondContact O-N 3.49Å
593	D	73.8	Confident	62.3	Low	100 Å²	100	105.2 Å²	105.2	54%	0.535	60%	0.604	S	S	.	*	H	α-helix	trans	-64.4	-35.2	177.1	-66	-30.2	0	0	0	111.5	Q589 M595 G596	Q589-D593 PolarHBondContact NE2-OD1 3.08Å; Q589-D593 PolarHBondContact NE2-OD2 3.29Å; Q589-D593 VanDerWaalsContact O-CG 3.27Å; Q589-D593 PolarHBondContact O-N 3.36Å; D593-M595 VanDerWaalsContact C-N 3.26Å; D593-M595 PolarHBondContact O-N 2.88Å; D593-G596 PolarHBondContact O-N 3.01Å; D593-G596 VanDerWaalsContact O-N 3.14Å
594	S	72.5	Confident	59.9	Low	104 Å²	104	105 Å²	105	73%	0.727	62%	0.616	S	S	*	*	H	α-helix	trans	-66.9	-23.6	175.2	-60.6	0	0	0	0	113.8	A590 V591 L592	A590-S594 WeakPolarHBondContact O-CB 3.38Å; A590-S594 PolarHBondContact O-N 3.02Å; A590-S594 PolarHBondContact O-OG 3.38Å; V591-S594 PolarHBondContact O-N 2.98Å; L592-S594 VanDerWaalsContact C-N 3.29Å; L592-S594 PolarHBondContact O-N 2.94Å
595	M	57.1	Low	57.2	Low	139 Å²	139	105.7 Å²	105.7	69%	0.685	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-0.5	174.5	-64.8	-172.9	-66.7	0	0	113	V591 L592 D593	V591-M595 HydrophobicContact CG1-CE 3.89Å; V591-M595 PolarHBondContact O-N 3.45Å; L592-M595 HydrophobicContact CD2-CE 4.37Å; L592-M595 PolarHBondContact O-N 3.15Å; L592-M595 VanDerWaalsContact O-N 3.16Å; D593-M595 VanDerWaalsContact C-N 3.26Å; D593-M595 PolarHBondContact O-N 2.88Å
596	G	51.1	Low	54.7	Low	61 Å²	61	107.7 Å²	107.7	63%	0.629	67%	0.667	S	S	*	*			trans	-101.5	28.8	-164.3	0	0	0	0	0	117.1	L592 D593	L592-G596 PolarHBondContact O-N 3.49Å; D593-G596 PolarHBondContact O-N 3.01Å; D593-G596 VanDerWaalsContact O-N 3.14Å
597	S	40.3	Very low	53	Low	122 Å²	122	109.2 Å²	109.2	85%	0.853	68%	0.675	S	S	*	*			trans	-141.7	79.3	179.1	-162.8	0	0	0	0	114.2
598	G	37	Very low	50.8	Low	76 Å²	76	110.6 Å²	110.6	78%	0.784	69%	0.685	S	S	*	*			trans	-92.1	126.9	166.1	0	0	0	0	0	110.9
599	K	46.8	Very low	48.4	Very low	211 Å²	211	110 Å²	110	92%	0.917	70%	0.703	S	S	*	*			trans	-41.9	135.8	-176.9	-73	-179.9	174.3	-179.3	0	114.5
600	K	33.4	Very low	46	Very low	192 Å²	192	111.4 Å²	111.4	84%	0.835	73%	0.726	S	S	*	*			trans	-134.4	109.8	132.3	-161.3	171.5	-174.2	-179.8	0	109.4
601	G	36.4	Very low	43.6	Very low	71 Å²	71	116.7 Å²	116.7	73%	0.732	75%	0.747	S	S	*	*			trans	-74.8	148.7	164.5	0	0	0	0	0	109
602	Q	31.8	Very low	41.1	Very low	188 Å²	188	118.1 Å²	118.1	88%	0.879	76%	0.761	S	S	*	*			trans	-133.9	129.9	174.7	-151.7	166.6	6.3	0	0	108.7
603	D	31	Very low	38.8	Very low	161 Å²	161	125.1 Å²	125.1	86%	0.861	78%	0.782	S	S	*	*			trans	-138.9	164.9	-177.6	-165.3	-3.1	0	0	0	107
604	A	34.4	Very low	36.5	Very low	94 Å²	94	127.3 Å²	127.3	78%	0.777	79%	0.793	S	S	*	*			trans	66.1	143.6	-173.6	0	0	0	0	0	116.9
605	G	30.1	Very low	34.3	Very low	79 Å²	79	128.2 Å²	128.2	81%	0.814	79%	0.789	S	S	*	*			trans	-106.7	-163.6	179.3	0	0	0	0	0	114.4
606	A	33.4	Very low	32.9	Very low	94 Å²	94	129.4 Å²	129.4	78%	0.777	79%	0.793	S	S	*	*			trans	-79	-178	-178.4	0	0	0	0	0	112.2
607	P	48.3	Very low	31.7	Very low	111 Å²	111	133.8 Å²	133.8	72%	0.721	80%	0.802	S	S	*	*			cis	-147.5	155.6	39.6	40.7	-18.8	0	0	0	120.9
608	N	29.7	Very low	30.9	Very low	160 Å²	160	134.3 Å²	134.3	86%	0.856	81%	0.805	S	S	*	*			trans	48.3	122.7	135.6	-56.1	-13.2	0	0	0	125.3
609	G	27.2	Very low	30.3	Very low	80 Å²	80	134.3 Å²	134.3	83%	0.825	81%	0.805	S	S	*	*			trans	91	165.5	135.1	0	0	0	0	0	119.5
610	A	26.4	Very low	29.3	Very low	95 Å²	95	129 Å²	129	79%	0.785	80%	0.8	S	S	*	*			cis	-167.3	147.6	-26.3	0	0	0	0	0	112.1
611	L	24.4	Very low	29	Very low	160 Å²	160	128.2 Å²	128.2	84%	0.838	80%	0.8	S	S	*	*			trans	61	121.8	159.8	-68.7	169.2	0	0	0	122.8
612	S	24.9	Very low	28.5	Very low	108 Å²	108	132.2 Å²	132.2	76%	0.755	80%	0.804	S	S	*	*				32.2	145.7	128.6	-47.6	0	0	0	0	121.6
613	R	25.8	Very low	28.2	Very low	222 Å²	222	129.7 Å²	129.7	84%	0.838	80%	0.801	S	S	*	*			cis	-175.4	161	44	-166.8	-174.7	176	174.8	-1.4	112
614	L	25.3	Very low	27.8	Very low	145 Å²	145	127.6 Å²	127.6	76%	0.759	80%	0.799	S	S	*	*			trans	76.3	157.7	154.1	-139.3	71	0	0	0	117.4
615	D	24.8	Very low	27.3	Very low	123 Å²	123	128.8 Å²	128.8	66%	0.658	80%	0.802	S	S	*	*				-164.4	134	-57.6	-162.3	-39.3	0	0	0	108.1
616	Q	28.1	Very low	27.1	Very low	165 Å²	165	133.1 Å²	133.1	77%	0.771	81%	0.805	S	S	*	*			trans	160	117.5	130.6	-85	179.1	26.5	0	0	115.5
617	L	27	Very low	26.9	Very low	153 Å²	153	134.7 Å²	134.7	80%	0.801	81%	0.808	S	S	*	*			trans	62	102.5	137.5	-57.1	175.2	0	0	0	121.3
618	S	23.7	Very low	26	Very low	133 Å²	133	134.4 Å²	134.4	93%	0.93	81%	0.808	S	S	*	*				126.7	133	114.8	-158.5	0	0	0	0	115.6
619	G	23.6	Very low	26.4	Very low	75 Å²	75	132.4 Å²	132.4	77%	0.773	80%	0.804	S	S	*	*			trans	130.6	108.5	179.7	0	0	0	0	0	112.3
620	A	25.1	Very low	26.4	Very low	100 Å²	100	133.8 Å²	133.8	83%	0.826	80%	0.801	S	S	*	*			trans	-77.1	135.8	-171.7	0	0	0	0	0	114.1
621	Q	27.9	Very low	26.8	Very low	176 Å²	176	134.7 Å²	134.7	82%	0.822	80%	0.799	S	S	*	*			trans	-167.5	176.4	141.6	-100.8	-56.1	-62.9	0	0	109.4
622	L	26.6	Very low	27.4	Very low	155 Å²	155	131.5 Å²	131.5	81%	0.812	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-87.6	170.2	-157.1	-72	168.8	0	0	0	117.3
623	T	23.9	Very low	28.5	Very low	135 Å²	135	130.7 Å²	130.7	83%	0.828	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-61.7	148.4	-168.9	47.8	0	0	0	0	117
624	S	22.9	Very low	29.3	Very low	117 Å²	117	124.7 Å²	124.7	82%	0.818	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-58.9	146	179.4	-40.3	0	0	0	0	116.7
625	S	24.1	Very low	31	Very low	119 Å²	119	120.6 Å²	120.6	83%	0.832	76%	0.756	S	S	*	*			trans	-164.7	153.6	137.5	-83.9	0	0	0	0	111.2
626	L	26.2	Very low	33.3	Very low	170 Å²	170	116.7 Å²	116.7	89%	0.89	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-79.3	137.5	-175.1	-61.4	94.4	0	0	0	112.5	S628	L626-S628 PolarHBondContact O-N 3.32Å
627	P	28.7	Very low	35.5	Very low	127 Å²	127	115.6 Å²	115.6	83%	0.825	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-72.9	116.8	160	-14.9	30.6	0	0	0	110.8
628	S	30.1	Very low	37.7	Very low	104 Å²	104	115.5 Å²	115.5	73%	0.727	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-61.1	148.8	163.9	-169.1	0	0	0	0	110.4	L626 S630	L626-S628 PolarHBondContact O-N 3.32Å; S628-S630 PolarHBondContact O-N 3.45Å; S628-S630 VanDerWaalsContact O-N 3.12Å
629	P	37.2	Very low	40.7	Very low	118 Å²	118	111.1 Å²	111.1	77%	0.766	69%	0.693	S	S	*	*	S	Bend	trans	-66	114	-172.8	24.5	-35.2	0	0	0	114
630	S	27.4	Very low	43.6	Very low	110 Å²	110	108.5 Å²	108.5	77%	0.769	66%	0.662	S	S	*	*	S	Bend	trans	71.3	146.7	167.4	-62.4	0	0	0	0	116.7	S628 A632	S628-S630 PolarHBondContact O-N 3.45Å; S628-S630 VanDerWaalsContact O-N 3.12Å; S630-A632 PolarHBondContact O-N 3.14Å
631	P	35.6	Very low	46.5	Very low	113 Å²	113	108.1 Å²	108.1	73%	0.734	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-76.3	125.8	-167.9	29.7	-34.8	0	0	0	112	I633	P631-I633 PolarHBondContact O-N 3.4Å
632	A	35.9	Very low	49.4	Very low	93 Å²	93	102.2 Å²	102.2	77%	0.769	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-58.9	119.3	130.6	0	0	0	0	0	106.3	S630 A634	S630-A632 PolarHBondContact O-N 3.14Å; A632-A634 PolarHBondContact O-N 3.45Å
633	I	48.3	Very low	52.5	Low	92 Å²	92	94.9 Å²	94.9	47%	0.472	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-52.7	118.3	164.3	-64.9	172	0	0	0	105.2	P631 K635 L667	P631-I633 PolarHBondContact O-N 3.4Å; I633-K635 PolarHBondContact O-N 3.13Å; I633-L667 HydrophobicContact CG2-CD2 4.19Å
634	A	43.7	Very low	55.6	Low	96 Å²	96	91.5 Å²	91.5	79%	0.793	55%	0.551	S	S	*	*			trans	-66.5	90.4	178.9	0	0	0	0	0	107.2	A632 S636	A632-A634 PolarHBondContact O-N 3.45Å; A634-S636 PolarHBondContact O-N 3.46Å
635	K	61.4	Low	58.6	Low	59 Å²	59	88.4 Å²	88.4	26%	0.257	53%	0.529	S	S	.	.			trans	-57.9	116.7	-173.4	-66.3	-178.5	177.8	177.6	0	107.2	I633 Q637 V640 L667	I633-K635 PolarHBondContact O-N 3.13Å; K635-Q637 PolarHBondContact O-N 3.35Å; K635-V640 HydrophobicContact CB-CG2 3.54Å; K635-L667 HydrophobicContact CD-CD1 4.02Å; K635-L667 HydrophobicContact CG-CD1 4.16Å; K635-L667 HydrophobicContact CG-CD2 4.34Å
636	S	73.1	Confident	61.6	Low	41 Å²	41	83.3 Å²	83.3	29%	0.287	49%	0.493	S	S	.	.			trans	-49.9	143.1	179.7	165.3	0	0	0	0	108.4	A634 E638 Q639 V640	A634-S636 PolarHBondContact O-N 3.46Å; S636-E638 PolarHBondContact O-N 2.91Å; S636-E638 PolarHBondContact OG-N 3.26Å; S636-E638 PolarHBondContact OG-OE2 3.37Å; S636-Q639 WeakPolarHBondContact O-CA 3.37Å; S636-Q639 WeakPolarHBondContact O-CB 3.15Å; S636-Q639 PolarHBondContact O-N 3.49Å; S636-V640 PolarHBondContact O-N 3.22Å
637	Q	73.3	Confident	64.6	Low	142 Å²	142	75.2 Å²	75.2	66%	0.664	45%	0.45	S	S	*	.	H	α-helix	trans	-52.6	-30.7	177.2	-177.8	70.6	-25.9	0	0	111.1	K635 H641	K635-Q637 PolarHBondContact O-N 3.35Å; Q637-H641 WeakPolarHBondContact O-CB 3.36Å; Q637-H641 PolarHBondContact O-N 2.92Å
638	E	73.4	Confident	67.4	Low	151 Å²	151	71.1 Å²	71.1	71%	0.706	43%	0.427	S	S	*	.	H	α-helix	trans	-69.4	-44.3	173.9	-55	160.6	140.1	0	0	112.7	S636 V640 H641 L642	S636-E638 PolarHBondContact O-N 2.91Å; S636-E638 PolarHBondContact OG-N 3.26Å; S636-E638 PolarHBondContact OG-OE2 3.37Å; E638-V640 VanDerWaalsContact C-N 3.34Å; E638-H641 PolarHBondContact O-N 3.39Å; E638-L642 WeakPolarHBondContact O-CB 3.22Å; E638-L642 PolarHBondContact O-N 3.17Å
639	Q	86.4	Confident	70	Confident	41 Å²	41	74 Å²	74	19%	0.192	42%	0.422	C	S	.	.	H	α-helix	trans	-61.1	-45.2	174.1	-66.2	168.2	-12.8	0	0	110.2	S636 L642 L643 T665	S636-Q639 WeakPolarHBondContact O-CA 3.37Å; S636-Q639 WeakPolarHBondContact O-CB 3.15Å; S636-Q639 PolarHBondContact O-N 3.49Å; Q639-L642 PolarHBondContact O-N 3.01Å; Q639-L643 WeakPolarHBondContact O-CB 3.45Å; Q639-L643 WeakPolarHBondContact O-CG 3.43Å; Q639-L643 PolarHBondContact O-N 3.3Å; Q639-T665 HydrophobicContact CB-CG2 4.18Å; Q639-T665 HydrophobicContact CG-CG2 4.34Å; Q639-T665 PolarHBondContact NE2-O 3.38Å
640	V	85.4	Confident	72.2	Confident	19 Å²	19	70 Å²	70	12%	0.115	40%	0.395	C	S	.	.	H	α-helix	trans	-65.6	-40.1	176.6	-178	0	0	0	0	110.8	K635 S636 E638 L643 R644	K635-V640 HydrophobicContact CB-CG2 3.54Å; S636-V640 PolarHBondContact O-N 3.22Å; E638-V640 VanDerWaalsContact C-N 3.34Å; V640-L643 PolarHBondContact O-N 3.5Å; V640-R644 HydrophobicContact CG1-CG 4.29Å; V640-R644 WeakPolarHBondContact O-CB 3.3Å; V640-R644 VanDerWaalsContact O-CG 3.26Å; V640-R644 WeakPolarHBondContact O-CG 3.33Å; V640-R644 PolarHBondContact O-N 3.03Å
641	H	85.8	Confident	75	Confident	92 Å²	92	68.2 Å²	68.2	43%	0.426	38%	0.375	S	S	.	.	H	α-helix	trans	-63.1	-46	176.2	-176.3	-94.9	0	0	0	112	Q637 E638 L643 R644 S645 Y694	Q637-H641 WeakPolarHBondContact O-CB 3.36Å; Q637-H641 PolarHBondContact O-N 2.92Å; E638-H641 PolarHBondContact O-N 3.39Å; H641-L643 VanDerWaalsContact C-N 3.35Å; H641-L643 PolarHBondContact O-N 3.36Å; H641-R644 PolarHBondContact O-N 3.42Å; H641-S645 VanDerWaalsContact O-CB 3.29Å; H641-S645 WeakPolarHBondContact O-CB 3.34Å; H641-S645 PolarHBondContact O-N 2.86Å; H641-Y694 AromaticContact CD2-CE1 3.78Å; H641-Y694 AromaticContact CD2-CZ 3.98Å; H641-Y694 PolarHBondContact CD2-OH 2.83Å; H641-Y694 AromaticContact NE2-CE1 3.8Å
642	L	88.9	Confident	77.2	Confident	53 Å²	53	66.5 Å²	66.5	28%	0.277	35%	0.354	S	S	.	.	H	α-helix	trans	-63.4	-40.1	176.9	179.7	60	0	0	0	112	E638 Q639 T646 L661 K664 T665	E638-L642 WeakPolarHBondContact O-CB 3.22Å; E638-L642 PolarHBondContact O-N 3.17Å; Q639-L642 PolarHBondContact O-N 3.01Å; L642-T646 VanDerWaalsContact O-CB 3.31Å; L642-T646 WeakPolarHBondContact O-CB 3.4Å; L642-T646 PolarHBondContact O-N 3.08Å; L642-T646 PolarHBondContact O-OG1 2.89Å; L642-L661 HydrophobicContact CD2-CD2 4.2Å; L642-L661 HydrophobicContact CG-CD2 3.88Å; L642-K664 HydrophobicContact CD2-CB 3.54Å; L642-K664 HydrophobicContact CD2-CD 4.29Å; L642-K664 HydrophobicContact CD2-CG 4.5Å; L642-T665 HydrophobicContact CD2-CG2 3.95Å
643	L	90.4	Very high	79.8	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64	-45	173.4	-71.5	171.2	0	0	0	111.7	Q639 V640 H641 T646 F647 L661 T665 L667 I672 W675 F676	Q639-L643 WeakPolarHBondContact O-CB 3.45Å; Q639-L643 WeakPolarHBondContact O-CG 3.43Å; Q639-L643 PolarHBondContact O-N 3.3Å; V640-L643 PolarHBondContact O-N 3.5Å; H641-L643 VanDerWaalsContact C-N 3.35Å; H641-L643 PolarHBondContact O-N 3.36Å; L643-T646 PolarHBondContact O-N 2.83Å; L643-F647 VanDerWaalsContact O-CB 3.28Å; L643-F647 WeakPolarHBondContact O-CB 3.31Å; L643-F647 PolarHBondContact O-N 3.49Å; L643-L661 HydrophobicContact CD2-CD1 4.33Å; L643-L661 HydrophobicContact CD2-CD2 4.24Å; L643-T665 HydrophobicContact CG-CG2 4.39Å; L643-L667 HydrophobicContact CD1-CD1 4.03Å; L643-I672 HydrophobicContact CD2-CG1 4.35Å; L643-I672 HydrophobicContact CD2-CG2 3.79Å; L643-W675 VanDerWaalsContact C-CH2 3.45Å; L643-W675 HydrophobicContact CB-CD2 4.18Å; L643-W675 HydrophobicContact CB-CE3 3.9Å; L643-W675 HydrophobicContact CB-CH2 3.69Å; L643-W675 HydrophobicContact CB-CZ2 3.94Å; L643-W675 HydrophobicContact CB-CZ3 3.66Å; L643-W675 HydrophobicContact CD1-CD2 4.1Å; L643-W675 HydrophobicContact CD1-CE3 4.38Å; L643-W675 HydrophobicContact CD1-CG 4.36Å; L643-W675 HydrophobicContact CD2-CE3 4.2Å; L643-W675 HydrophobicContact CG-CE3 4.39Å; L643-W675 WeakPolarHBondContact O-CH2 3.41Å; L643-W675 WeakPolarHBondContact O-CZ3 3.42Å; L643-F676 HydrophobicContact CD2-CD2 4.44Å; L643-F676 HydrophobicContact CD2-CE2 3.78Å
644	R	89.1	Confident	81.4	Confident	65 Å²	65	61.3 Å²	61.3	25%	0.245	32%	0.317	C	S	.	.	H	α-helix	trans	-64.4	-47.8	177	-76.3	-178.4	173.2	140.1	-0.4	113.1	V640 H641 T646 F647 A648 W675 W690 Y694	V640-R644 HydrophobicContact CG1-CG 4.29Å; V640-R644 WeakPolarHBondContact O-CB 3.3Å; V640-R644 VanDerWaalsContact O-CG 3.26Å; V640-R644 WeakPolarHBondContact O-CG 3.33Å; V640-R644 PolarHBondContact O-N 3.03Å; H641-R644 PolarHBondContact O-N 3.42Å; R644-T646 VanDerWaalsContact C-N 3.33Å; R644-T646 PolarHBondContact O-N 3.06Å; R644-F647 WeakPolarHBondContact O-CB 3.49Å; R644-F647 PolarHBondContact O-N 2.91Å; R644-A648 PolarHBondContact O-N 2.98Å; R644-W675 HydrophobicContact CG-CH2 4.22Å; R644-W675 HydrophobicContact CG-CZ2 4.08Å; R644-W690 HydrophobicContact CB-CE3 4.08Å; R644-W690 HydrophobicContact CB-CH2 3.89Å; R644-W690 HydrophobicContact CB-CZ3 3.57Å; R644-W690 HydrophobicContact CG-CD2 4.13Å; R644-W690 HydrophobicContact CG-CE3 3.84Å; R644-W690 HydrophobicContact CG-CH2 3.64Å; R644-W690 HydrophobicContact CG-CZ2 3.87Å; R644-W690 HydrophobicContact CG-CZ3 3.61Å; R644-Y694 HydrophobicContact CB-CD1 4.31Å; R644-Y694 HydrophobicContact CB-CE1 3.73Å; R644-Y694 HydrophobicContact CB-CE2 4.29Å; R644-Y694 WeakPolarHBondContact CD-OH 3.22Å
645	S	86.3	Confident	83.4	Confident	52 Å²	52	61 Å²	61	36%	0.364	31%	0.307	S	S	.	.	H	α-helix	trans	-58.3	-45.4	175	174.3	0	0	0	0	111.1	H641 F647 A648 R649	H641-S645 VanDerWaalsContact O-CB 3.29Å; H641-S645 WeakPolarHBondContact O-CB 3.34Å; H641-S645 PolarHBondContact O-N 2.86Å; S645-F647 PolarHBondContact O-N 2.89Å; S645-A648 PolarHBondContact O-N 2.75Å; S645-R649 PolarHBondContact O-N 2.79Å
646	T	87.6	Confident	84.6	Confident	11 Å²	11	65 Å²	65	7%	0.067	33%	0.327	C	S	.	.	H	α-helix	trans	-67.5	-36.3	176.6	-53.7	0	0	0	0	112	L642 L643 R644 R649 T650 P653 L661 F676	L642-T646 VanDerWaalsContact O-CB 3.31Å; L642-T646 WeakPolarHBondContact O-CB 3.4Å; L642-T646 PolarHBondContact O-N 3.08Å; L642-T646 PolarHBondContact O-OG1 2.89Å; L643-T646 PolarHBondContact O-N 2.83Å; R644-T646 VanDerWaalsContact C-N 3.33Å; R644-T646 PolarHBondContact O-N 3.06Å; T646-R649 PolarHBondContact O-N 3.22Å; T646-T650 HydrophobicContact CG2-CG2 4.28Å; T646-T650 CarbonylContact O-C 3.51Å; T646-T650 PolarHBondContact O-N 2.7Å; T646-P653 HydrophobicContact CG2-CG 4.37Å; T646-L661 HydrophobicContact CG2-CD1 4.02Å; T646-L661 HydrophobicContact CG2-CD2 4.47Å; T646-F676 HydrophobicContact CG2-CZ 4.1Å
647	F	89	Confident	85.2	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-66.2	-35.4	175.2	-169.1	-87.7	0	0	0	113.3	L643 R644 S645 T650 Q651 W675 F676 N679 R680 L683 W690 M691	L643-F647 VanDerWaalsContact O-CB 3.28Å; L643-F647 WeakPolarHBondContact O-CB 3.31Å; L643-F647 PolarHBondContact O-N 3.49Å; R644-F647 WeakPolarHBondContact O-CB 3.49Å; R644-F647 PolarHBondContact O-N 2.91Å; S645-F647 PolarHBondContact O-N 2.89Å; F647-T650 WeakPolarHBondContact CA-O 3.21Å; F647-T650 CarbonylContact O-C 3.34Å; F647-Q651 HydrophobicContact CD1-CG 4.42Å; F647-Q651 HydrophobicContact CE1-CG 4.08Å; F647-Q651 HydrophobicContact CZ-CB 4.49Å; F647-Q651 HydrophobicContact CZ-CG 4.16Å; F647-Q651 PolarHBondContact O-N 3.43Å; F647-W675 HydrophobicContact CB-CH2 4.01Å; F647-W675 HydrophobicContact CB-CZ3 3.96Å; F647-W675 HydrophobicContact CD2-CH2 4.4Å; F647-W675 AromaticContact CD2-CZ3 3.94Å; F647-W675 HydrophobicContact CD2-CZ3 3.94Å; F647-W675 HydrophobicContact CG-CH2 4.35Å; F647-W675 HydrophobicContact CG-CZ3 4.25Å; F647-F676 HydrophobicContact CB-CE1 3.92Å; F647-F676 HydrophobicContact CB-CZ 4.24Å; F647-F676 AromaticContact CD2-CD1 3.52Å; F647-F676 HydrophobicContact CD2-CD1 3.52Å; F647-F676 AromaticContact CD2-CE1 3.64Å; F647-F676 HydrophobicContact CD2-CE1 3.64Å; F647-F676 HydrophobicContact CD2-CG 4.29Å; F647-F676 HydrophobicContact CD2-CZ 4.49Å; F647-F676 HydrophobicContact CE2-CD1 4.15Å; F647-F676 HydrophobicContact CG-CE1 4.24Å; F647-N679 HydrophobicContact CD2-CB 4.03Å; F647-N679 HydrophobicContact CE1-CB 4.21Å; F647-N679 HydrophobicContact CE2-CB 3.49Å; F647-N679 VanDerWaalsContact CE2-CB 3.49Å; F647-N679 VanDerWaalsContact CZ-C 3.46Å; F647-N679 HydrophobicContact CZ-CB 3.61Å; F647-R680 HydrophobicContact CE2-CG 3.83Å; F647-R680 HydrophobicContact CZ-CG 3.94Å; F647-L683 HydrophobicContact CE1-CD2 4.48Å; F647-W690 HydrophobicContact CB-CH2 4.1Å; F647-W690 AromaticContact CD1-CH2 3.67Å; F647-W690 HydrophobicContact CD1-CH2 3.67Å; F647-W690 HydrophobicContact CD1-CZ2 4.29Å; F647-W690 HydrophobicContact CE1-CH2 4.45Å; F647-W690 HydrophobicContact CG-CH2 4.11Å; F647-M691 HydrophobicContact CD1-CE 3.73Å; F647-M691 HydrophobicContact CE1-CE 3.48Å; F647-M691 VanDerWaalsContact CE1-CE 3.48Å
648	A	86.9	Confident	86	Confident	41 Å²	41	58.8 Å²	58.8	34%	0.339	29%	0.293	S	S	.	.	H	α-helix	trans	-68.2	-40.2	173.6	0	0	0	0	0	111.7	R644 S645	R644-A648 PolarHBondContact O-N 2.98Å; S645-A648 PolarHBondContact O-N 2.75Å
649	R	85.4	Confident	86.7	Confident	164 Å²	164	55.7 Å²	55.7	62%	0.619	28%	0.281	S	S	*	.	H	α-helix	trans	-72	-38.9	174.4	-174.7	175	60.9	76.5	3	113.1	S645 T646 E657	S645-R649 PolarHBondContact O-N 2.79Å; T646-R649 PolarHBondContact O-N 3.22Å; R649-E657 IonicContact CZ-OE1 2.97Å; R649-E657 IonicContact NH1-OE1 2.8Å; R649-E657 PolarHBondContact NH1-OE1 3.48Å; R649-E657 IonicContact NH2-OE1 2.75Å; R649-E657 PolarHBondContact NH2-OE1 3.49Å
650	T	83.5	Confident	86.9	Confident	34 Å²	34	57.6 Å²	57.6	21%	0.209	29%	0.29	C	S	.	.			trans	-153.1	121.2	175.5	176.9	0	0	0	0	111.7	T646 F647 W652 P653 F676	T646-T650 HydrophobicContact CG2-CG2 4.28Å; T646-T650 CarbonylContact O-C 3.51Å; T646-T650 PolarHBondContact O-N 2.7Å; F647-T650 WeakPolarHBondContact CA-O 3.21Å; F647-T650 CarbonylContact O-C 3.34Å; T650-W652 PolarHBondContact O-N 2.7Å; T650-W652 PolarHBondContact OG1-N 2.75Å; T650-W652 VanDerWaalsContact OG1-N 3.1Å; T650-W652 PolarHBondContact OG1-O 3.49Å; T650-W652 VanDerWaalsContact OG1-O 3.05Å; T650-P653 HydrophobicContact CG2-CG 4.32Å; T650-F676 WeakPolarHBondContact O-CE1 3.21Å
651	Q	84.9	Confident	87.1	Confident	73 Å²	73	57 Å²	57	34%	0.341	29%	0.286	S	S	.	.	S	Bend	trans	-71.3	-10.1	172.2	-61.7	174.7	17	0	0	112.4	F647 R680 L683	F647-Q651 HydrophobicContact CD1-CG 4.42Å; F647-Q651 HydrophobicContact CE1-CG 4.08Å; F647-Q651 HydrophobicContact CZ-CB 4.49Å; F647-Q651 HydrophobicContact CZ-CG 4.16Å; F647-Q651 PolarHBondContact O-N 3.43Å; Q651-R680 HydrophobicContact CB-CG 4.31Å; Q651-R680 WeakPolarHBondContact O-CD 3.36Å; Q651-R680 PolarHBondContact O-NH1 2.96Å; Q651-L683 VanDerWaalsContact NE2-CD2 3.31Å
652	W	83.6	Confident	87.3	Confident	78 Å²	78	53.7 Å²	53.7	30%	0.295	28%	0.275	S	S	.	.	S	Bend	trans	-137	77.5	-177.1	-59.9	91.5	0	0	0	110.3	F553 D585 T650 R680	F553-W652 HydrophobicContact CD2-CB 4.47Å; F553-W652 HydrophobicContact CE2-CB 3.85Å; F553-W652 AromaticContact CE2-CD1 3.5Å; F553-W652 HydrophobicContact CE2-CD2 4.03Å; F553-W652 AromaticContact CE2-CG 3.53Å; F553-W652 HydrophobicContact CE2-CG 3.53Å; F553-W652 AromaticContact CE2-NE1 3.98Å; F553-W652 AromaticContact CZ-CD1 3.56Å; F553-W652 HydrophobicContact CZ-CD2 4.19Å; F553-W652 AromaticContact CZ-CE2 3.95Å; F553-W652 AromaticContact CZ-CG 3.96Å; F553-W652 HydrophobicContact CZ-CG 3.96Å; F553-W652 AromaticContact CZ-NE1 3.58Å; D585-W652 WeakPolarHBondContact OD2-CH2 3.48Å; T650-W652 PolarHBondContact O-N 2.7Å; T650-W652 PolarHBondContact OG1-N 2.75Å; T650-W652 VanDerWaalsContact OG1-N 3.1Å; T650-W652 PolarHBondContact OG1-O 3.49Å; T650-W652 VanDerWaalsContact OG1-O 3.05Å; W652-R680 VanDerWaalsContact CZ2-CD 3.44Å
653	P	89.7	Confident	87.2	Confident	10 Å²	10	55.2 Å²	55.2	7%	0.065	30%	0.295	C	S	.	.			trans	-52.7	143.4	173.8	-25.2	32.5	0	0	0	112.2	T646 T650 E657 Y658 L661 F676	T646-P653 HydrophobicContact CG2-CG 4.37Å; T650-P653 HydrophobicContact CG2-CG 4.32Å; P653-E657 HydrophobicContact CB-CB 3.83Å; P653-Y658 HydrophobicContact CB-CD1 4.12Å; P653-Y658 HydrophobicContact CB-CD2 4Å; P653-Y658 HydrophobicContact CB-CE1 4.02Å; P653-Y658 HydrophobicContact CB-CE2 3.92Å; P653-Y658 HydrophobicContact CB-CG 4.11Å; P653-Y658 HydrophobicContact CG-CD1 4.33Å; P653-Y658 HydrophobicContact CG-CE1 3.88Å; P653-Y658 HydrophobicContact CG-CE2 4.44Å; P653-Y658 WeakPolarHBondContact O-CD2 3.3Å; P653-Y658 WeakPolarHBondContact O-CE2 3.45Å; P653-L661 HydrophobicContact CG-CD1 4.39Å; P653-F676 VanDerWaalsContact CD-CD1 3.44Å; P653-F676 VanDerWaalsContact CD-CE1 3.41Å; P653-F676 HydrophobicContact CG-CD1 3.71Å; P653-F676 HydrophobicContact CG-CD2 4.43Å; P653-F676 HydrophobicContact CG-CE1 3.27Å; P653-F676 HydrophobicContact CG-CE2 4.08Å; P653-F676 HydrophobicContact CG-CG 4.29Å; P653-F676 HydrophobicContact CG-CZ 3.5Å; P653-F676 VanDerWaalsContact CG-CZ 3.5Å
654	T	81.9	Confident	87	Confident	65 Å²	65	61.6 Å²	61.6	40%	0.399	32%	0.323	S	S	.	.			trans	-64	162.4	168.3	57.9	0	0	0	0	111	Q656 E657 Y658	T654-Q656 PolarHBondContact O-N 3.45Å; T654-E657 WeakPolarHBondContact CB-OE2 3.39Å; T654-E657 WeakPolarHBondContact CG2-OE2 3.27Å; T654-E657 PolarHBondContact N-OE2 3.28Å; T654-E657 PolarHBondContact O-N 3.25Å; T654-E657 VanDerWaalsContact O-N 3.08Å; T654-E657 WeakPolarHBondContact OG1-CB 3.49Å; T654-E657 VanDerWaalsContact OG1-CG 3.25Å; T654-E657 WeakPolarHBondContact OG1-CG 3.37Å; T654-E657 PolarHBondContact OG1-N 3.24Å; T654-E657 PolarHBondContact OG1-OE2 2.91Å; T654-Y658 WeakPolarHBondContact O-CD2 3.39Å; T654-Y658 PolarHBondContact O-N 3.43Å
655	P	84.9	Confident	86.8	Confident	91 Å²	91	58.8 Å²	58.8	59%	0.591	31%	0.313	S	S	*	.	H	α-helix	trans	-53.7	-40.9	176.3	-28.4	36.5	0	0	0	113.1	Y658 D659 R669	P655-Y658 PolarHBondContact O-N 2.88Å; P655-D659 PolarHBondContact O-N 3.33Å; P655-R669 PolarHBondContact O-NH1 3.27Å; P655-R669 PolarHBondContact O-NH2 2.87Å
656	Q	86.6	Confident	86.7	Confident	141 Å²	141	59.4 Å²	59.4	66%	0.659	33%	0.327	S	S	*	.	H	α-helix	trans	-68.3	-36.3	177.8	-170.9	-175.7	4.1	0	0	112.7	T654 D659 Q660	T654-Q656 PolarHBondContact O-N 3.45Å; Q656-D659 PolarHBondContact O-N 3.22Å; Q656-Q660 WeakPolarHBondContact O-CG 3.46Å; Q656-Q660 PolarHBondContact O-N 3.43Å
657	E	87.1	Confident	86.6	Confident	32 Å²	32	59.2 Å²	59.2	15%	0.15	33%	0.325	C	S	.	.	H	α-helix	trans	-68.5	-34.7	173.9	-74.3	168.5	118.4	0	0	112.1	R649 P653 T654 D659 Q660 L661	R649-E657 IonicContact CZ-OE1 2.97Å; R649-E657 IonicContact NH1-OE1 2.8Å; R649-E657 PolarHBondContact NH1-OE1 3.48Å; R649-E657 IonicContact NH2-OE1 2.75Å; R649-E657 PolarHBondContact NH2-OE1 3.49Å; P653-E657 HydrophobicContact CB-CB 3.83Å; T654-E657 WeakPolarHBondContact CB-OE2 3.39Å; T654-E657 WeakPolarHBondContact CG2-OE2 3.27Å; T654-E657 PolarHBondContact N-OE2 3.28Å; T654-E657 PolarHBondContact O-N 3.25Å; T654-E657 VanDerWaalsContact O-N 3.08Å; T654-E657 WeakPolarHBondContact OG1-CB 3.49Å; T654-E657 VanDerWaalsContact OG1-CG 3.25Å; T654-E657 WeakPolarHBondContact OG1-CG 3.37Å; T654-E657 PolarHBondContact OG1-N 3.24Å; T654-E657 PolarHBondContact OG1-OE2 2.91Å; E657-D659 VanDerWaalsContact C-N 3.33Å; E657-Q660 PolarHBondContact O-N 2.88Å; E657-L661 WeakPolarHBondContact O-CB 3.23Å; E657-L661 VanDerWaalsContact O-CG 3.28Å; E657-L661 WeakPolarHBondContact O-CG 3.45Å; E657-L661 PolarHBondContact O-N 2.88Å
658	Y	90	Very high	86.6	Confident	22 Å²	22	63.4 Å²	63.4	9%	0.086	35%	0.351	C	S	.	.	H	α-helix	trans	-64.1	-35.7	171	-76.8	-62.9	0	0	0	112.5	P653 T654 P655 L661 A662 I672 V673 F676	P653-Y658 HydrophobicContact CB-CD1 4.12Å; P653-Y658 HydrophobicContact CB-CD2 4Å; P653-Y658 HydrophobicContact CB-CE1 4.02Å; P653-Y658 HydrophobicContact CB-CE2 3.92Å; P653-Y658 HydrophobicContact CB-CG 4.11Å; P653-Y658 HydrophobicContact CG-CD1 4.33Å; P653-Y658 HydrophobicContact CG-CE1 3.88Å; P653-Y658 HydrophobicContact CG-CE2 4.44Å; P653-Y658 WeakPolarHBondContact O-CD2 3.3Å; P653-Y658 WeakPolarHBondContact O-CE2 3.45Å; T654-Y658 WeakPolarHBondContact O-CD2 3.39Å; T654-Y658 PolarHBondContact O-N 3.43Å; P655-Y658 PolarHBondContact O-N 2.88Å; Y658-L661 PolarHBondContact O-N 2.76Å; Y658-A662 WeakPolarHBondContact O-CB 3.49Å; Y658-A662 PolarHBondContact O-N 2.84Å; Y658-I672 HydrophobicContact CD1-CG2 3.78Å; Y658-I672 HydrophobicContact CE1-CG2 4.19Å; Y658-V673 HydrophobicContact CD1-CG2 3.84Å; Y658-V673 HydrophobicContact CD2-CG2 4.44Å; Y658-V673 HydrophobicContact CE1-CB 4.49Å; Y658-V673 HydrophobicContact CE1-CG2 3.74Å; Y658-V673 HydrophobicContact CE2-CG2 4.34Å; Y658-V673 HydrophobicContact CG-CG2 4.2Å; Y658-F676 HydrophobicContact CE1-CB 4.32Å; Y658-F676 HydrophobicContact CE1-CD2 4.02Å; Y658-F676 HydrophobicContact CE1-CG 4.11Å
659	D	88.1	Confident	86.6	Confident	85 Å²	85	65.4 Å²	65.4	46%	0.455	35%	0.35	S	S	.	.	H	α-helix	trans	-72.4	-39.3	174.4	-66.6	-48.4	0	0	0	111.9	P655 Q656 E657 L661 A662 A663 R669	P655-D659 PolarHBondContact O-N 3.33Å; Q656-D659 PolarHBondContact O-N 3.22Å; E657-D659 VanDerWaalsContact C-N 3.33Å; D659-L661 VanDerWaalsContact C-N 3.31Å; D659-L661 PolarHBondContact O-N 2.59Å; D659-A662 PolarHBondContact O-N 2.82Å; D659-A663 WeakPolarHBondContact O-CB 3.42Å; D659-A663 PolarHBondContact O-N 2.67Å; D659-R669 IonicContact OD1-CZ 2.57Å; D659-R669 IonicContact OD1-NH1 2.95Å; D659-R669 PolarHBondContact OD1-NH1 3.21Å; D659-R669 IonicContact OD2-CZ 2.63Å; D659-R669 IonicContact OD2-NH1 3.6Å; D659-R669 PolarHBondContact OD2-NH1 3.43Å
660	Q	88.9	Confident	86.7	Confident	82 Å²	82	61 Å²	61	38%	0.383	34%	0.341	S	S	.	.	H	α-helix	trans	-61.1	-39.9	170.7	-74.9	-173.2	54.4	0	0	112.1	Q656 E657 A663 K664	Q656-Q660 WeakPolarHBondContact O-CG 3.46Å; Q656-Q660 PolarHBondContact O-N 3.43Å; E657-Q660 PolarHBondContact O-N 2.88Å; Q660-A663 PolarHBondContact O-N 2.93Å; Q660-K664 WeakPolarHBondContact O-CB 3.37Å; Q660-K664 WeakPolarHBondContact O-CD 3.38Å; Q660-K664 WeakPolarHBondContact O-CG 3.44Å; Q660-K664 PolarHBondContact O-N 2.86Å
661	L	89.9	Confident	86.9	Confident	6 Å²	6	61.1 Å²	61.1	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-66.4	-40.5	174.8	-77	171.4	0	0	0	111.3	L642 L643 T646 P653 E657 Y658 D659 K664 T665 I672 F676	L642-L661 HydrophobicContact CD2-CD2 4.2Å; L642-L661 HydrophobicContact CG-CD2 3.88Å; L643-L661 HydrophobicContact CD2-CD1 4.33Å; L643-L661 HydrophobicContact CD2-CD2 4.24Å; T646-L661 HydrophobicContact CG2-CD1 4.02Å; T646-L661 HydrophobicContact CG2-CD2 4.47Å; P653-L661 HydrophobicContact CG-CD1 4.39Å; E657-L661 WeakPolarHBondContact O-CB 3.23Å; E657-L661 VanDerWaalsContact O-CG 3.28Å; E657-L661 WeakPolarHBondContact O-CG 3.45Å; E657-L661 PolarHBondContact O-N 2.88Å; Y658-L661 PolarHBondContact O-N 2.76Å; D659-L661 VanDerWaalsContact C-N 3.31Å; D659-L661 PolarHBondContact O-N 2.59Å; L661-K664 PolarHBondContact O-N 3.2Å; L661-T665 WeakPolarHBondContact O-CB 3.3Å; L661-T665 WeakPolarHBondContact O-CG2 3.33Å; L661-T665 PolarHBondContact O-N 2.9Å; L661-T665 PolarHBondContact O-OG1 3.47Å; L661-I672 HydrophobicContact CB-CD1 4Å; L661-I672 HydrophobicContact CB-CG2 4.12Å; L661-I672 HydrophobicContact CD1-CG2 3.92Å; L661-F676 HydrophobicContact CD1-CE2 3.69Å; L661-F676 HydrophobicContact CD1-CZ 4.01Å
662	A	89.8	Confident	87.1	Confident	23 Å²	23	57.7 Å²	57.7	19%	0.19	32%	0.323	C	S	.	.	H	α-helix	trans	-61.3	-46.4	174.6	0	0	0	0	0	111.3	Y658 D659 G666 I672	Y658-A662 WeakPolarHBondContact O-CB 3.49Å; Y658-A662 PolarHBondContact O-N 2.84Å; D659-A662 PolarHBondContact O-N 2.82Å; A662-G666 WeakPolarHBondContact O-CA 3.27Å; A662-G666 PolarHBondContact O-N 3.28Å; A662-I672 VanDerWaalsContact CA-CD1 3.44Å; A662-I672 HydrophobicContact CB-CD1 3.92Å
663	A	88.6	Confident	87.4	Confident	85 Å²	85	55.6 Å²	55.6	70%	0.702	32%	0.319	S	S	*	.	H	α-helix	trans	-64.6	-40.8	176.5	0	0	0	0	0	113.3	D659 Q660	D659-A663 WeakPolarHBondContact O-CB 3.42Å; D659-A663 PolarHBondContact O-N 2.67Å; Q660-A663 PolarHBondContact O-N 2.93Å
664	K	85.1	Confident	87.4	Confident	134 Å²	134	60.9 Å²	60.9	58%	0.583	34%	0.338	S	S	*	.	H	α-helix	trans	-81.5	-28.1	-177	-71.3	168.3	176	168.5	0	114.1	L642 Q660 L661	L642-K664 HydrophobicContact CD2-CB 3.54Å; L642-K664 HydrophobicContact CD2-CD 4.29Å; L642-K664 HydrophobicContact CD2-CG 4.5Å; Q660-K664 WeakPolarHBondContact O-CB 3.37Å; Q660-K664 WeakPolarHBondContact O-CD 3.38Å; Q660-K664 WeakPolarHBondContact O-CG 3.44Å; Q660-K664 PolarHBondContact O-N 2.86Å; L661-K664 PolarHBondContact O-N 3.2Å
665	T	84.6	Confident	87.9	Confident	6 Å²	6	58.9 Å²	58.9	4%	0.037	32%	0.323	C	S	.	.	H	α-helix	trans	-97.6	-20.1	177.6	64.3	0	0	0	0	113.3	Q639 L642 L643 L661 L667	Q639-T665 HydrophobicContact CB-CG2 4.18Å; Q639-T665 HydrophobicContact CG-CG2 4.34Å; Q639-T665 PolarHBondContact NE2-O 3.38Å; L642-T665 HydrophobicContact CD2-CG2 3.95Å; L643-T665 HydrophobicContact CG-CG2 4.39Å; L661-T665 WeakPolarHBondContact O-CB 3.3Å; L661-T665 WeakPolarHBondContact O-CG2 3.33Å; L661-T665 PolarHBondContact O-N 2.9Å; L661-T665 PolarHBondContact O-OG1 3.47Å; T665-L667 PolarHBondContact O-N 2.86Å; T665-L667 WeakPolarHBondContact OG1-CB 3.42Å; T665-L667 PolarHBondContact OG1-N 3.32Å
666	G	84.4	Confident	88.2	Confident	65 Å²	65	54.5 Å²	54.5	67%	0.67	30%	0.295	S	S	*	.			trans	69.4	5.1	-170.3	0	0	0	0	0	114.2	A662	A662-G666 WeakPolarHBondContact O-CA 3.27Å; A662-G666 PolarHBondContact O-N 3.28Å
667	L	86.6	Confident	88.3	Confident	6 Å²	6	52.1 Å²	52.1	3%	0.031	28%	0.282	C	S	.	.			trans	-83.4	149.5	176.5	-61	173.3	0	0	0	110.5	I633 K635 L643 T665 R669 I672	I633-L667 HydrophobicContact CG2-CD2 4.19Å; K635-L667 HydrophobicContact CD-CD1 4.02Å; K635-L667 HydrophobicContact CG-CD1 4.16Å; K635-L667 HydrophobicContact CG-CD2 4.34Å; L643-L667 HydrophobicContact CD1-CD1 4.03Å; T665-L667 PolarHBondContact O-N 2.86Å; T665-L667 WeakPolarHBondContact OG1-CB 3.42Å; T665-L667 PolarHBondContact OG1-N 3.32Å; L667-R669 PolarHBondContact O-N 3.11Å; L667-I672 HydrophobicContact CB-CD1 4.13Å; L667-I672 HydrophobicContact CB-CG1 3.96Å
668	V	87.4	Confident	88.2	Confident	89 Å²	89	54.8 Å²	54.8	54%	0.539	30%	0.295	S	S	.	.			trans	-67.8	137.8	178.7	-172.9	0	0	0	0	109	T670 E671 I672	V668-T670 WeakPolarHBondContact CG1-OG1 3.44Å; V668-T670 PolarHBondContact O-N 3.27Å; V668-E671 HydrophobicContact CB-CG 4.15Å; V668-E671 PolarHBondContact N-OE2 3.32Å; V668-E671 WeakPolarHBondContact O-CA 3.18Å; V668-E671 WeakPolarHBondContact O-CB 3.43Å; V668-E671 PolarHBondContact O-N 2.93Å; V668-I672 PolarHBondContact O-N 3.33Å
669	R	87.5	Confident	88.1	Confident	83 Å²	83	54.3 Å²	54.3	31%	0.313	29%	0.294	S	S	.	.	H	α-helix	trans	-46.6	-37.5	-180	-174.8	-176.3	173.2	93.2	2.9	113.2	P655 D659 L667 E671 I672 V673	P655-R669 PolarHBondContact O-NH1 3.27Å; P655-R669 PolarHBondContact O-NH2 2.87Å; D659-R669 IonicContact OD1-CZ 2.57Å; D659-R669 IonicContact OD1-NH1 2.95Å; D659-R669 PolarHBondContact OD1-NH1 3.21Å; D659-R669 IonicContact OD2-CZ 2.63Å; D659-R669 IonicContact OD2-NH1 3.6Å; D659-R669 PolarHBondContact OD2-NH1 3.43Å; L667-R669 PolarHBondContact O-N 3.11Å; R669-E671 PolarHBondContact O-N 3.32Å; R669-I672 PolarHBondContact O-N 3.48Å; R669-V673 WeakPolarHBondContact O-CG2 3.36Å; R669-V673 PolarHBondContact O-N 2.81Å
670	T	88.1	Confident	88	Confident	72 Å²	72	52.2 Å²	52.2	44%	0.442	28%	0.279	S	S	.	.	H	α-helix	trans	-65.1	-34	177.1	55.3	0	0	0	0	113.5	V668 R674	V668-T670 WeakPolarHBondContact CG1-OG1 3.44Å; V668-T670 PolarHBondContact O-N 3.27Å; T670-R674 VanDerWaalsContact O-CB 3.23Å; T670-R674 WeakPolarHBondContact O-CB 3.35Å; T670-R674 PolarHBondContact O-N 3.18Å
671	E	87.1	Confident	87.6	Confident	36 Å²	36	51.8 Å²	51.8	17%	0.168	29%	0.285	C	S	.	.	H	α-helix	trans	-74.8	-32.7	176.7	-55	-177.1	106.2	0	0	112.4	V668 R669 W675	V668-E671 HydrophobicContact CB-CG 4.15Å; V668-E671 PolarHBondContact N-OE2 3.32Å; V668-E671 WeakPolarHBondContact O-CA 3.18Å; V668-E671 WeakPolarHBondContact O-CB 3.43Å; V668-E671 PolarHBondContact O-N 2.93Å; R669-E671 PolarHBondContact O-N 3.32Å; E671-W675 VanDerWaalsContact O-CB 3.29Å; E671-W675 WeakPolarHBondContact O-CB 3.4Å; E671-W675 PolarHBondContact O-N 2.75Å
672	I	89.6	Confident	87.2	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-69.6	-51.3	174.6	-62.2	165.7	0	0	0	109.1	L643 Y658 L661 A662 L667 V668 R669 R674 W675 F676	L643-I672 HydrophobicContact CD2-CG1 4.35Å; L643-I672 HydrophobicContact CD2-CG2 3.79Å; Y658-I672 HydrophobicContact CD1-CG2 3.78Å; Y658-I672 HydrophobicContact CE1-CG2 4.19Å; L661-I672 HydrophobicContact CB-CD1 4Å; L661-I672 HydrophobicContact CB-CG2 4.12Å; L661-I672 HydrophobicContact CD1-CG2 3.92Å; A662-I672 VanDerWaalsContact CA-CD1 3.44Å; A662-I672 HydrophobicContact CB-CD1 3.92Å; L667-I672 HydrophobicContact CB-CD1 4.13Å; L667-I672 HydrophobicContact CB-CG1 3.96Å; V668-I672 PolarHBondContact O-N 3.33Å; R669-I672 PolarHBondContact O-N 3.48Å; I672-R674 VanDerWaalsContact C-N 3.27Å; I672-R674 PolarHBondContact O-N 2.9Å; I672-W675 PolarHBondContact O-N 2.99Å; I672-W675 VanDerWaalsContact O-N 3.14Å; I672-F676 HydrophobicContact CG2-CD2 3.89Å; I672-F676 HydrophobicContact CG2-CE2 4.02Å; I672-F676 WeakPolarHBondContact O-CD2 3.21Å; I672-F676 PolarHBondContact O-N 3.46Å
673	V	90.1	Very high	86.8	Confident	35 Å²	35	56.7 Å²	56.7	21%	0.212	31%	0.307	C	S	.	.	H	α-helix	trans	-57	-41.4	175.1	170.8	0	0	0	0	111.2	Y658 R669 F676 K677	Y658-V673 HydrophobicContact CD1-CG2 3.84Å; Y658-V673 HydrophobicContact CD2-CG2 4.44Å; Y658-V673 HydrophobicContact CE1-CB 4.49Å; Y658-V673 HydrophobicContact CE1-CG2 3.74Å; Y658-V673 HydrophobicContact CE2-CG2 4.34Å; Y658-V673 HydrophobicContact CG-CG2 4.2Å; R669-V673 WeakPolarHBondContact O-CG2 3.36Å; R669-V673 PolarHBondContact O-N 2.81Å; V673-F676 PolarHBondContact O-N 3.41Å; V673-K677 WeakPolarHBondContact O-CB 3.26Å; V673-K677 PolarHBondContact O-N 3.48Å
674	R	89.7	Confident	86.2	Confident	120 Å²	120	61.8 Å²	61.8	45%	0.453	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-48	174.7	-163.4	-166.5	-56.7	116	8.2	111.9	T670 I672 F676 K677 E678	T670-R674 VanDerWaalsContact O-CB 3.23Å; T670-R674 WeakPolarHBondContact O-CB 3.35Å; T670-R674 PolarHBondContact O-N 3.18Å; I672-R674 VanDerWaalsContact C-N 3.27Å; I672-R674 PolarHBondContact O-N 2.9Å; R674-F676 PolarHBondContact O-N 2.94Å; R674-K677 WeakPolarHBondContact O-CB 3.5Å; R674-K677 PolarHBondContact O-N 3.17Å; R674-K677 VanDerWaalsContact O-N 3.13Å; R674-E678 WeakPolarHBondContact CD-OE1 3.44Å; R674-E678 VanDerWaalsContact CG-OE1 3.29Å; R674-E678 WeakPolarHBondContact CG-OE1 3.32Å; R674-E678 VanDerWaalsContact O-CG 3.29Å; R674-E678 WeakPolarHBondContact O-CG 3.35Å; R674-E678 PolarHBondContact O-N 3.06Å
675	W	91.6	Very high	85.6	Confident	23 Å²	23	60.6 Å²	60.6	9%	0.087	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-39.8	177.7	-178	89.2	0	0	0	112.4	L643 R644 F647 E671 I672 E678 N679 W690	L643-W675 VanDerWaalsContact C-CH2 3.45Å; L643-W675 HydrophobicContact CB-CD2 4.18Å; L643-W675 HydrophobicContact CB-CE3 3.9Å; L643-W675 HydrophobicContact CB-CH2 3.69Å; L643-W675 HydrophobicContact CB-CZ2 3.94Å; L643-W675 HydrophobicContact CB-CZ3 3.66Å; L643-W675 HydrophobicContact CD1-CD2 4.1Å; L643-W675 HydrophobicContact CD1-CE3 4.38Å; L643-W675 HydrophobicContact CD1-CG 4.36Å; L643-W675 HydrophobicContact CD2-CE3 4.2Å; L643-W675 HydrophobicContact CG-CE3 4.39Å; L643-W675 WeakPolarHBondContact O-CH2 3.41Å; L643-W675 WeakPolarHBondContact O-CZ3 3.42Å; R644-W675 HydrophobicContact CG-CH2 4.22Å; R644-W675 HydrophobicContact CG-CZ2 4.08Å; F647-W675 HydrophobicContact CB-CH2 4.01Å; F647-W675 HydrophobicContact CB-CZ3 3.96Å; F647-W675 HydrophobicContact CD2-CH2 4.4Å; F647-W675 AromaticContact CD2-CZ3 3.94Å; F647-W675 HydrophobicContact CD2-CZ3 3.94Å; F647-W675 HydrophobicContact CG-CH2 4.35Å; F647-W675 HydrophobicContact CG-CZ3 4.25Å; E671-W675 VanDerWaalsContact O-CB 3.29Å; E671-W675 WeakPolarHBondContact O-CB 3.4Å; E671-W675 PolarHBondContact O-N 2.75Å; I672-W675 PolarHBondContact O-N 2.99Å; I672-W675 VanDerWaalsContact O-N 3.14Å; W675-E678 WeakPolarHBondContact CA-OE2 3.47Å; W675-E678 PolarHBondContact O-N 2.98Å; W675-N679 WeakPolarHBondContact CZ2-ND2 3.32Å; W675-N679 PolarHBondContact NE1-ND2 2.93Å; W675-N679 PolarHBondContact O-N 2.91Å; W675-N679 PolarHBondContact O-ND2 3.42Å; W675-W690 HydrophobicContact CH2-CH2 4.38Å; W675-W690 HydrophobicContact CH2-CZ2 4.35Å; W675-W690 HydrophobicContact CZ2-CZ2 4.47Å
676	F	91.5	Very high	84.7	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-64.3	-40.3	173.5	-92.1	-94.5	0	0	0	111.7	L643 T646 F647 T650 P653 Y658 L661 I672 V673 R674 R680	L643-F676 HydrophobicContact CD2-CD2 4.44Å; L643-F676 HydrophobicContact CD2-CE2 3.78Å; T646-F676 HydrophobicContact CG2-CZ 4.1Å; F647-F676 HydrophobicContact CB-CE1 3.92Å; F647-F676 HydrophobicContact CB-CZ 4.24Å; F647-F676 AromaticContact CD2-CD1 3.52Å; F647-F676 HydrophobicContact CD2-CD1 3.52Å; F647-F676 AromaticContact CD2-CE1 3.64Å; F647-F676 HydrophobicContact CD2-CE1 3.64Å; F647-F676 HydrophobicContact CD2-CG 4.29Å; F647-F676 HydrophobicContact CD2-CZ 4.49Å; F647-F676 HydrophobicContact CE2-CD1 4.15Å; F647-F676 HydrophobicContact CG-CE1 4.24Å; T650-F676 WeakPolarHBondContact O-CE1 3.21Å; P653-F676 VanDerWaalsContact CD-CD1 3.44Å; P653-F676 VanDerWaalsContact CD-CE1 3.41Å; P653-F676 HydrophobicContact CG-CD1 3.71Å; P653-F676 HydrophobicContact CG-CD2 4.43Å; P653-F676 HydrophobicContact CG-CE1 3.27Å; P653-F676 HydrophobicContact CG-CE2 4.08Å; P653-F676 HydrophobicContact CG-CG 4.29Å; P653-F676 HydrophobicContact CG-CZ 3.5Å; P653-F676 VanDerWaalsContact CG-CZ 3.5Å; Y658-F676 HydrophobicContact CE1-CB 4.32Å; Y658-F676 HydrophobicContact CE1-CD2 4.02Å; Y658-F676 HydrophobicContact CE1-CG 4.11Å; L661-F676 HydrophobicContact CD1-CE2 3.69Å; L661-F676 HydrophobicContact CD1-CZ 4.01Å; I672-F676 HydrophobicContact CG2-CD2 3.89Å; I672-F676 HydrophobicContact CG2-CE2 4.02Å; I672-F676 WeakPolarHBondContact O-CD2 3.21Å; I672-F676 PolarHBondContact O-N 3.46Å; V673-F676 PolarHBondContact O-N 3.41Å; R674-F676 PolarHBondContact O-N 2.94Å; F676-R680 WeakPolarHBondContact O-CG 3.18Å; F676-R680 PolarHBondContact O-N 3.3Å
677	K	87.8	Confident	83.6	Confident	91 Å²	91	64.3 Å²	64.3	40%	0.396	34%	0.34	S	S	.	.	H	α-helix	trans	-62.5	-47.8	173.3	-177.2	-179.9	175.8	-176.8	0	111.7	V673 R674 N679 R680 C681	V673-K677 WeakPolarHBondContact O-CB 3.26Å; V673-K677 PolarHBondContact O-N 3.48Å; R674-K677 WeakPolarHBondContact O-CB 3.5Å; R674-K677 PolarHBondContact O-N 3.17Å; R674-K677 VanDerWaalsContact O-N 3.13Å; K677-N679 PolarHBondContact O-N 3.09Å; K677-R680 PolarHBondContact O-N 3.15Å; K677-C681 PolarHBondContact O-N 3.28Å; K677-C681 PolarHBondContact O-SG 3.01Å; K677-C681 VanDerWaalsContact O-SG 3.37Å
678	E	86.7	Confident	82.9	Confident	88 Å²	88	64.7 Å²	64.7	41%	0.411	34%	0.342	S	S	.	.	H	α-helix	trans	-56.2	-49.3	177.2	-72.3	159.7	-175.2	0	0	111.7	R674 W675 C681 L682	R674-E678 WeakPolarHBondContact CD-OE1 3.44Å; R674-E678 VanDerWaalsContact CG-OE1 3.29Å; R674-E678 WeakPolarHBondContact CG-OE1 3.32Å; R674-E678 VanDerWaalsContact O-CG 3.29Å; R674-E678 WeakPolarHBondContact O-CG 3.35Å; R674-E678 PolarHBondContact O-N 3.06Å; W675-E678 WeakPolarHBondContact CA-OE2 3.47Å; W675-E678 PolarHBondContact O-N 2.98Å; E678-C681 WeakPolarHBondContact O-CB 3.13Å; E678-C681 PolarHBondContact O-N 2.76Å; E678-L682 WeakPolarHBondContact O-CG 3.33Å; E678-L682 PolarHBondContact O-N 3.26Å
679	N	86.3	Confident	81.7	Confident	12 Å²	12	68.7 Å²	68.7	6%	0.064	35%	0.353	C	S	.	.	H	α-helix	trans	-71	-32.1	-178.8	-74.1	-93.2	0	0	0	112.5	F647 W675 K677 L682 L683 W690	F647-N679 HydrophobicContact CD2-CB 4.03Å; F647-N679 HydrophobicContact CE1-CB 4.21Å; F647-N679 HydrophobicContact CE2-CB 3.49Å; F647-N679 VanDerWaalsContact CE2-CB 3.49Å; F647-N679 VanDerWaalsContact CZ-C 3.46Å; F647-N679 HydrophobicContact CZ-CB 3.61Å; W675-N679 WeakPolarHBondContact CZ2-ND2 3.32Å; W675-N679 PolarHBondContact NE1-ND2 2.93Å; W675-N679 PolarHBondContact O-N 2.91Å; W675-N679 PolarHBondContact O-ND2 3.42Å; K677-N679 PolarHBondContact O-N 3.09Å; N679-L682 PolarHBondContact O-N 3.34Å; N679-L683 WeakPolarHBondContact O-CB 3.49Å; N679-L683 PolarHBondContact O-N 3.13Å; N679-W690 WeakPolarHBondContact OD1-CZ2 3.27Å
680	R	87.3	Confident	81.3	Confident	41 Å²	41	66.9 Å²	66.9	16%	0.155	35%	0.346	C	S	.	.	H	α-helix	trans	-64.1	-38.8	169.1	-74.8	-167.8	-60	-94.1	2.9	112.1	F647 Q651 W652 F676 K677 L683 K684	F647-R680 HydrophobicContact CE2-CG 3.83Å; F647-R680 HydrophobicContact CZ-CG 3.94Å; Q651-R680 HydrophobicContact CB-CG 4.31Å; Q651-R680 WeakPolarHBondContact O-CD 3.36Å; Q651-R680 PolarHBondContact O-NH1 2.96Å; W652-R680 VanDerWaalsContact CZ2-CD 3.44Å; F676-R680 WeakPolarHBondContact O-CG 3.18Å; F676-R680 PolarHBondContact O-N 3.3Å; K677-R680 PolarHBondContact O-N 3.15Å; R680-L683 PolarHBondContact O-N 2.78Å; R680-K684 PolarHBondContact O-N 3.38Å; R680-K684 VanDerWaalsContact O-N 3.11Å
681	C	79.8	Confident	80.5	Confident	73 Å²	73	64.6 Å²	64.6	49%	0.493	33%	0.33	S	S	.	.	H	α-helix	trans	-65	-47.4	174.5	-71.8	0	0	0	0	111.8	K677 E678 L683 K684 T685	K677-C681 PolarHBondContact O-N 3.28Å; K677-C681 PolarHBondContact O-SG 3.01Å; K677-C681 VanDerWaalsContact O-SG 3.37Å; E678-C681 WeakPolarHBondContact O-CB 3.13Å; E678-C681 PolarHBondContact O-N 2.76Å; C681-L683 VanDerWaalsContact C-N 3.29Å; C681-L683 PolarHBondContact O-N 3.47Å; C681-K684 PolarHBondContact O-N 3.19Å; C681-T685 PolarHBondContact O-N 2.66Å; C681-T685 PolarHBondContact O-OG1 3.1Å
682	L	82.4	Confident	79.5	Confident	80 Å²	80	68.8 Å²	68.8	42%	0.419	35%	0.35	S	S	.	.	H	α-helix	trans	-61.7	-36.2	176.9	-68.3	169.1	0	0	0	112.3	E678 N679 T685 G686 T687 V688	E678-L682 WeakPolarHBondContact O-CG 3.33Å; E678-L682 PolarHBondContact O-N 3.26Å; N679-L682 PolarHBondContact O-N 3.34Å; L682-T685 CarbonylContact O-C 3.51Å; L682-T685 PolarHBondContact O-N 3.12Å; L682-G686 PolarHBondContact O-N 3.1Å; L682-T687 PolarHBondContact O-N 2.86Å; L682-V688 VanDerWaalsContact C-CG2 3.46Å; L682-V688 HydrophobicContact CB-CG2 3.41Å; L682-V688 VanDerWaalsContact CB-CG2 3.41Å
683	L	81.3	Confident	78.3	Confident	52 Å²	52	75.9 Å²	75.9	27%	0.272	38%	0.383	S	S	.	.	H	α-helix	trans	-65.5	-43.9	177	-177.6	67.8	0	0	0	111.1	F647 Q651 N679 R680 C681 T685 G686 V688 M691	F647-L683 HydrophobicContact CE1-CD2 4.48Å; Q651-L683 VanDerWaalsContact NE2-CD2 3.31Å; N679-L683 WeakPolarHBondContact O-CB 3.49Å; N679-L683 PolarHBondContact O-N 3.13Å; R680-L683 PolarHBondContact O-N 2.78Å; C681-L683 VanDerWaalsContact C-N 3.29Å; C681-L683 PolarHBondContact O-N 3.47Å; L683-T685 PolarHBondContact O-N 3.29Å; L683-G686 PolarHBondContact O-N 3.27Å; L683-V688 HydrophobicContact CB-CB 4.48Å; L683-V688 HydrophobicContact CB-CG2 4.09Å; L683-V688 HydrophobicContact CD1-CB 4.18Å; L683-V688 VanDerWaalsContact N-CG2 3.31Å; L683-M691 HydrophobicContact CD1-CE 3.99Å; L683-M691 HydrophobicContact CD1-SD 3.77Å; L683-M691 HydrophobicContact CD2-CE 3.93Å; L683-M691 HydrophobicContact CD2-SD 4.37Å
684	K	76.3	Confident	77.1	Confident	192 Å²	192	76.2 Å²	76.2	84%	0.835	38%	0.381	S	S	*	.	H	α-helix	trans	-61.7	-27.5	175.4	-171.9	178.2	177.6	-175.4	0	112.8	R680 C681 G686	R680-K684 PolarHBondContact O-N 3.38Å; R680-K684 VanDerWaalsContact O-N 3.11Å; C681-K684 PolarHBondContact O-N 3.19Å; K684-G686 VanDerWaalsContact C-N 3.34Å
685	T	72.1	Confident	75.5	Confident	109 Å²	109	77.3 Å²	77.3	67%	0.669	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	7.9	175.2	-46.9	0	0	0	0	112.6	C681 L682 L683 T687	C681-T685 PolarHBondContact O-N 2.66Å; C681-T685 PolarHBondContact O-OG1 3.1Å; L682-T685 CarbonylContact O-C 3.51Å; L682-T685 PolarHBondContact O-N 3.12Å; L683-T685 PolarHBondContact O-N 3.29Å; T685-T687 PolarHBondContact O-N 3.48Å; T685-T687 PolarHBondContact O-OG1 3.26Å
686	G	65.4	Low	73.3	Confident	65 Å²	65	83.8 Å²	83.8	67%	0.67	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	16.9	177.5	0	0	0	0	0	114.9	L682 L683 K684	L682-G686 PolarHBondContact O-N 3.1Å; L683-G686 PolarHBondContact O-N 3.27Å; K684-G686 VanDerWaalsContact C-N 3.34Å
687	T	61.5	Low	70.7	Confident	84 Å²	84	90.2 Å²	90.2	52%	0.515	45%	0.452	S	S	.	.			trans	-92.8	-11.2	-171.4	-34.5	0	0	0	0	113.1	L682 T685 K689	L682-T687 PolarHBondContact O-N 2.86Å; T685-T687 PolarHBondContact O-N 3.48Å; T685-T687 PolarHBondContact O-OG1 3.26Å; T687-K689 PolarHBondContact O-N 3.05Å
688	V	71.9	Confident	68.3	Low	13 Å²	13	91.2 Å²	91.2	8%	0.079	47%	0.468	C	S	.	.			trans	-86.3	70.1	-173.5	-175.3	0	0	0	0	111.7	L682 L683 W690 M691	L682-V688 VanDerWaalsContact C-CG2 3.46Å; L682-V688 HydrophobicContact CB-CG2 3.41Å; L682-V688 VanDerWaalsContact CB-CG2 3.41Å; L683-V688 HydrophobicContact CB-CB 4.48Å; L683-V688 HydrophobicContact CB-CG2 4.09Å; L683-V688 HydrophobicContact CD1-CB 4.18Å; L683-V688 VanDerWaalsContact N-CG2 3.31Å; V688-W690 HydrophobicContact CG1-CD2 4.01Å; V688-W690 HydrophobicContact CG1-CG 4.24Å; V688-W690 HydrophobicContact CG1-CZ2 3.86Å; V688-W690 PolarHBondContact O-N 3.45Å; V688-M691 HydrophobicContact CG1-CB 4.04Å; V688-M691 PolarHBondContact O-N 2.82Å
689	K	62.9	Low	66	Low	173 Å²	173	93.5 Å²	93.5	75%	0.752	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-19.6	177	-63.2	-169.2	176.5	-170.7	0	114.4	T687 M691	T687-K689 PolarHBondContact O-N 3.05Å; K689-M691 VanDerWaalsContact C-N 3.3Å; K689-M691 PolarHBondContact O-N 3.05Å
690	W	77.9	Confident	63.3	Low	46 Å²	46	97.9 Å²	97.9	17%	0.174	53%	0.525	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-14.6	-179.2	66	-104.4	0	0	0	113.8	R644 F647 W675 N679 V688 E692 Q693 Y694	R644-W690 HydrophobicContact CB-CE3 4.08Å; R644-W690 HydrophobicContact CB-CH2 3.89Å; R644-W690 HydrophobicContact CB-CZ3 3.57Å; R644-W690 HydrophobicContact CG-CD2 4.13Å; R644-W690 HydrophobicContact CG-CE3 3.84Å; R644-W690 HydrophobicContact CG-CH2 3.64Å; R644-W690 HydrophobicContact CG-CZ2 3.87Å; R644-W690 HydrophobicContact CG-CZ3 3.61Å; F647-W690 HydrophobicContact CB-CH2 4.1Å; F647-W690 AromaticContact CD1-CH2 3.67Å; F647-W690 HydrophobicContact CD1-CH2 3.67Å; F647-W690 HydrophobicContact CD1-CZ2 4.29Å; F647-W690 HydrophobicContact CE1-CH2 4.45Å; F647-W690 HydrophobicContact CG-CH2 4.11Å; W675-W690 HydrophobicContact CH2-CH2 4.38Å; W675-W690 HydrophobicContact CH2-CZ2 4.35Å; W675-W690 HydrophobicContact CZ2-CZ2 4.47Å; N679-W690 WeakPolarHBondContact OD1-CZ2 3.27Å; V688-W690 HydrophobicContact CG1-CD2 4.01Å; V688-W690 HydrophobicContact CG1-CG 4.24Å; V688-W690 HydrophobicContact CG1-CZ2 3.86Å; V688-W690 PolarHBondContact O-N 3.45Å; W690-E692 PolarHBondContact O-N 3.18Å; W690-Q693 PolarHBondContact O-N 3.22Å; W690-Y694 AromaticContact CE3-CD2 3.78Å; W690-Y694 HydrophobicContact CE3-CD2 3.78Å; W690-Y694 AromaticContact CE3-CE2 3.93Å; W690-Y694 HydrophobicContact CE3-CE2 3.93Å; W690-Y694 HydrophobicContact CZ3-CD2 4.23Å; W690-Y694 WeakPolarHBondContact O-CD2 3.37Å
691	M	71.6	Confident	61.1	Low	23 Å²	23	103 Å²	103	11%	0.113	56%	0.556	C	S	.	*	H	α-helix	trans	-62.5	-41.5	-176.4	173.8	166.9	-77.1	0	0	112.6	F647 L683 V688 K689 Q693 Y694 Q695	F647-M691 HydrophobicContact CD1-CE 3.73Å; F647-M691 HydrophobicContact CE1-CE 3.48Å; F647-M691 VanDerWaalsContact CE1-CE 3.48Å; L683-M691 HydrophobicContact CD1-CE 3.99Å; L683-M691 HydrophobicContact CD1-SD 3.77Å; L683-M691 HydrophobicContact CD2-CE 3.93Å; L683-M691 HydrophobicContact CD2-SD 4.37Å; V688-M691 HydrophobicContact CG1-CB 4.04Å; V688-M691 PolarHBondContact O-N 2.82Å; K689-M691 VanDerWaalsContact C-N 3.3Å; K689-M691 PolarHBondContact O-N 3.05Å; M691-Q693 PolarHBondContact O-N 3.39Å; M691-Y694 PolarHBondContact O-N 3.2Å; M691-Q695 PolarHBondContact O-N 3.05Å
692	E	65.3	Low	58.9	Low	124 Å²	124	105.5 Å²	105.5	58%	0.579	56%	0.564	S	S	*	*	H	α-helix	trans	-54.9	-41.4	-177.8	-65.1	163.6	-169.7	0	0	111.5	W690 Y694 Q695 H696	W690-E692 PolarHBondContact O-N 3.18Å; E692-Y694 VanDerWaalsContact C-N 3.28Å; E692-Y694 PolarHBondContact O-N 3.2Å; E692-Q695 PolarHBondContact O-N 2.76Å; E692-H696 PolarHBondContact O-CD2 2.63Å; E692-H696 VanDerWaalsContact O-CD2 3.25Å; E692-H696 PolarHBondContact O-N 2.99Å; E692-H696 VanDerWaalsContact O-N 3.12Å
693	Q	65.1	Low	56.7	Low	149 Å²	149	109.9 Å²	109.9	70%	0.696	58%	0.582	S	S	*	*	H	α-helix	trans	-63	-29.8	179	-169.6	177.7	13	0	0	113.6	W690 M691	W690-Q693 PolarHBondContact O-N 3.22Å; M691-Q693 PolarHBondContact O-N 3.39Å
694	Y	64.3	Low	54.3	Low	42 Å²	42	110.5 Å²	110.5	17%	0.165	60%	0.602	C	S	.	*	H	α-helix	trans	-92.3	-21.4	177.8	-69.6	-108.2	0	0	0	111.9	H641 R644 W690 M691 E692	H641-Y694 AromaticContact CD2-CE1 3.78Å; H641-Y694 AromaticContact CD2-CZ 3.98Å; H641-Y694 PolarHBondContact CD2-OH 2.83Å; H641-Y694 AromaticContact NE2-CE1 3.8Å; R644-Y694 HydrophobicContact CB-CD1 4.31Å; R644-Y694 HydrophobicContact CB-CE1 3.73Å; R644-Y694 HydrophobicContact CB-CE2 4.29Å; R644-Y694 WeakPolarHBondContact CD-OH 3.22Å; W690-Y694 AromaticContact CE3-CD2 3.78Å; W690-Y694 HydrophobicContact CE3-CD2 3.78Å; W690-Y694 AromaticContact CE3-CE2 3.93Å; W690-Y694 HydrophobicContact CE3-CE2 3.93Å; W690-Y694 HydrophobicContact CZ3-CD2 4.23Å; W690-Y694 WeakPolarHBondContact O-CD2 3.37Å; M691-Y694 PolarHBondContact O-N 3.2Å; E692-Y694 VanDerWaalsContact C-N 3.28Å; E692-Y694 PolarHBondContact O-N 3.2Å
695	Q	56	Low	52.2	Low	144 Å²	144	112.5 Å²	112.5	67%	0.673	61%	0.606	S	S	*	*	H	α-helix	trans	-81	-22.4	178.3	-163	167.2	21.1	0	0	112.7	M691 E692	M691-Q695 PolarHBondContact O-N 3.05Å; E692-Q695 PolarHBondContact O-N 2.76Å
696	H	45.9	Very low	50.1	Low	158 Å²	158	114.6 Å²	114.6	73%	0.731	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	4.4	175.9	-75.4	-63.4	0	0	0	115.1	E692 P698	E692-H696 PolarHBondContact O-CD2 2.63Å; E692-H696 VanDerWaalsContact O-CD2 3.25Å; E692-H696 PolarHBondContact O-N 2.99Å; E692-H696 VanDerWaalsContact O-N 3.12Å; H696-P698 VanDerWaalsContact O-CD 3.27Å; H696-P698 WeakPolarHBondContact O-CD 3.28Å
697	Q	36.7	Very low	48.5	Very low	136 Å²	136	115.1 Å²	115.1	64%	0.636	61%	0.61	S	S	*	*			trans	-84.9	112.1	176	-166.8	174.1	24	0	0	110.4
698	P	37.5	Very low	46.9	Very low	112 Å²	112	117.6 Å²	117.6	73%	0.727	63%	0.625	S	S	*	*			trans	-68.9	144.8	174.4	30.1	-34.3	0	0	0	110.2	H696 A700	H696-P698 VanDerWaalsContact O-CD 3.27Å; H696-P698 WeakPolarHBondContact O-CD 3.28Å; P698-A700 PolarHBondContact O-N 2.77Å; P698-A700 VanDerWaalsContact O-N 3.16Å
699	V	38.2	Very low	44.8	Very low	135 Å²	135	121.1 Å²	121.1	82%	0.818	66%	0.656	S	S	*	*			trans	-70.8	110.3	176.4	-176.8	0	0	0	0	109	D701	V699-D701 HydrophobicContact CG1-CB 4.22Å
700	A	30.5	Very low	43.2	Very low	104 Å²	104	124.4 Å²	124.4	86%	0.86	66%	0.663	S	S	*	*			trans	-85.8	110.2	162.6	0	0	0	0	0	108	P698	P698-A700 PolarHBondContact O-N 2.77Å; P698-A700 VanDerWaalsContact O-N 3.16Å
701	D	40.4	Very low	40.9	Very low	150 Å²	150	131.9 Å²	131.9	80%	0.802	70%	0.697	S	S	*	*			trans	-116.2	108.1	-177.7	-171.4	33.6	0	0	0	109.7	V699	V699-D701 HydrophobicContact CG1-CB 4.22Å
702	D	33.1	Very low	38.8	Very low	124 Å²	124	135.5 Å²	135.5	66%	0.663	73%	0.73	S	S	*	*			trans	-169.9	145.2	172.5	-143.7	0.8	0	0	0	106.5
703	H	36.8	Very low	37	Very low	172 Å²	172	136.1 Å²	136.1	80%	0.796	74%	0.743	S	S	*	*			cis	-138.6	163.2	13.4	-32.9	-92.2	0	0	0	110.2
704	G	31.1	Very low	35.7	Very low	66 Å²	66	137.7 Å²	137.7	68%	0.68	75%	0.747	S	S	*	*			cis	136.8	124	-4.5	0	0	0	0	0	113.6
705	Y	31.7	Very low	34	Very low	234 Å²	234	141.6 Å²	141.6	92%	0.918	78%	0.778	S	S	*	*			trans	-170.9	145.1	150.7	75.2	-90.1	0	0	0	108.4
706	D	29.3	Very low	32.5	Very low	152 Å²	152	142.3 Å²	142.3	81%	0.813	79%	0.785	S	S	*	*			cis	-152.7	174	-0.1	-161.8	0.6	0	0	0	111.1
707	A	30.2	Very low	31.8	Very low	76 Å²	76	139 Å²	139	63%	0.628	78%	0.784	S	S	*	*			trans	84.8	98.8	151.2	0	0	0	0	0	122.6
708	V	28.3	Very low	31.2	Very low	136 Å²	136	141.9 Å²	141.9	82%	0.824	80%	0.798	S	S	*	*			trans	77.7	77.1	134.6	-165	0	0	0	0	121
709	A	28.5	Very low	30.8	Very low	87 Å²	87	142.1 Å²	142.1	72%	0.719	80%	0.803	S	S	*	*				40.7	130.9	119.1	0	0	0	0	0	123.9
710	R	29.1	Very low	30.8	Very low	242 Å²	242	141.1 Å²	141.1	91%	0.913	80%	0.799	S	S	*	*				-173.9	125	115.2	-97.7	156.8	-170	-172.9	4.6	113.9
711	K	28.8	Very low	30.7	Very low	204 Å²	204	145.7 Å²	145.7	89%	0.887	80%	0.799	S	S	*	*			trans	27.3	144.8	148	-63.6	-174.3	178.8	-173.9	0	121.1
712	A	28	Very low	30.1	Very low	98 Å²	98	146.2 Å²	146.2	81%	0.81	80%	0.802	S	S	*	*			cis	-168	178.1	-8.9	0	0	0	0	0	110.4
713	T	27	Very low	29.8	Very low	138 Å²	138	144.4 Å²	144.4	85%	0.847	81%	0.813	S	S	*	*			trans	-93.2	165.4	-164.4	-42.9	0	0	0	0	115.8
714	K	39.4	Very low	29.3	Very low	181 Å²	181	139.9 Å²	139.9	79%	0.787	81%	0.812	S	S	*	*			trans	-48.1	166.7	170.1	-46.6	175.2	-177.6	178.6	0	115.2
715	P	28.1	Very low	29.1	Very low	125 Å²	125	144.3 Å²	144.3	81%	0.812	82%	0.82	S	S	*	*			trans	-124.4	159.7	137.5	38.1	-29.2	0	0	0	113.8
716	I	24.9	Very low	29	Very low	159 Å²	159	139 Å²	139	82%	0.815	81%	0.813	S	S	*	*			trans	-135.5	134.8	157.3	-79.1	-178.5	0	0	0	106.8
717	A	30.3	Very low	28.8	Very low	87 Å²	87	137.9 Å²	137.9	72%	0.719	81%	0.81	S	S	*	*			trans	43.9	120.3	165.3	0	0	0	0	0	119.7
718	E	24.7	Very low	29.3	Very low	198 Å²	198	138.6 Å²	138.6	93%	0.925	81%	0.809	S	S	*	*				-170.3	-178.5	88.7	-93.5	-160.7	140.9	0	0	111.3
719	S	29.3	Very low	29.2	Very low	117 Å²	117	140 Å²	140	82%	0.818	81%	0.807	S	S	*	*			trans	-98.9	157.7	-169.6	-142.9	0	0	0	0	112.9
720	P	36.7	Very low	28.9	Very low	113 Å²	113	144.6 Å²	144.6	73%	0.734	81%	0.807	S	S	*	*			trans	-98.9	154.2	-161.9	37	-35.3	0	0	0	115.9
721	K	29.6	Very low	28.8	Very low	201 Å²	201	140.7 Å²	140.7	87%	0.874	79%	0.793	S	S	*	*			trans	-162.2	123.2	145	-113.4	161.5	-173.5	173.3	0	114.1
722	N	26.7	Very low	28.7	Very low	160 Å²	160	138.6 Å²	138.6	86%	0.856	78%	0.784	S	S	*	*			trans	35	105.3	157.3	-65.3	1.3	0	0	0	121.8
723	G	27.9	Very low	28.5	Very low	87 Å²	87	141.1 Å²	141.1	90%	0.897	78%	0.783	S	S	*	*				90.3	142.4	103.5	0	0	0	0	0	120.1
724	G	26.2	Very low	29.5	Very low	76 Å²	76	139.5 Å²	139.5	78%	0.784	78%	0.776	S	S	*	*			trans	126.3	33.5	149.3	0	0	0	0	0	122
725	D	27.2	Very low	28.9	Very low	159 Å²	159	139.7 Å²	139.7	85%	0.85	78%	0.776	S	S	*	*			trans	55.8	168.7	146.5	-148.8	1.4	0	0	0	121.7
726	V	28.6	Very low	28.9	Very low	124 Å²	124	142.4 Å²	142.4	75%	0.752	78%	0.775	S	S	*	*			trans	83.2	142	168.7	-167.3	0	0	0	0	118.1
727	V	26.1	Very low	28.9	Very low	127 Å²	127	142.7 Å²	142.7	77%	0.77	78%	0.778	S	S	*	*			trans	-154.2	163.5	-154.9	156.5	0	0	0	0	106.2
728	P	39.2	Very low	28.6	Very low	91 Å²	91	143.7 Å²	143.7	59%	0.591	78%	0.778	S	S	*	*			cis	-132.8	-176.6	4.8	33.3	-11.7	0	0	0	117.3
729	Q	26.6	Very low	28.8	Very low	167 Å²	167	142.4 Å²	142.4	78%	0.78	77%	0.772	S	S	*	*			trans	72.9	158.9	144.7	-84.1	161.7	-4.9	0	0	118.6
730	Y	23	Very low	28.7	Very low	183 Å²	183	146.6 Å²	146.6	72%	0.718	78%	0.779	S	S	*	*			cis	-152.7	136.9	22.7	-161.5	-110.8	0	0	0	114.3
731	Y	27	Very low	28.2	Very low	159 Å²	159	147.9 Å²	147.9	62%	0.624	78%	0.779	S	S	*	*			trans	46.9	124.3	151.2	-93.6	-125.3	0	0	0	126.3
732	K	25.6	Very low	28.1	Very low	161 Å²	161	144.8 Å²	144.8	70%	0.7	77%	0.772	S	S	*	*				47.3	126.9	127.4	-60.1	-169.8	-174.5	176.9	0	124.5
733	D	24.6	Very low	28.1	Very low	150 Å²	150	143 Å²	143	80%	0.802	76%	0.758	S	S	*	*				9.5	161.2	113.9	-87.6	-46.8	0	0	0	121.7
734	P	48.3	Very low	28.2	Very low	105 Å²	105	146 Å²	146	68%	0.682	75%	0.747	S	S	*	*			cis	-141.9	-160.8	-18	33.5	-10.3	0	0	0	114
735	K	27.2	Very low	28	Very low	184 Å²	184	149.7 Å²	149.7	80%	0.8	75%	0.748	S	S	*	*				115.8	148	126.9	-148.9	169.3	-172.2	169	0	120.2
736	K	27.3	Very low	28.3	Very low	183 Å²	183	148 Å²	148	80%	0.796	74%	0.743	S	S	*	*			trans	81.9	132.5	172.1	-51.9	-175.2	-178.2	-177.6	0	115.3
737	L	25.8	Very low	28.8	Very low	165 Å²	165	147.7 Å²	147.7	86%	0.864	74%	0.743	S	S	*	*			cis	83.5	137.2	28.6	-74.2	172.9	0	0	0	116.9
738	C	23.1	Very low	28.7	Very low	107 Å²	107	151.8 Å²	151.8	72%	0.723	75%	0.745	S	S	*	*			trans	66.1	125	-176.3	-64.2	0	0	0	0	113.9
739	E	30	Very low	28.1	Very low	172 Å²	172	153.1 Å²	153.1	80%	0.804	75%	0.751	S	S	*	*				75	97	52	-174	-174.4	-173.3	0	0	111.1
740	E	26.7	Very low	28.2	Very low	204 Å²	204	154.1 Å²	154.1	95%	0.953	75%	0.753	S	S	*	*			trans	-158.1	166.7	141.6	-118.7	165.3	72.2	0	0	111.2
741	D	26.6	Very low	28.5	Very low	140 Å²	140	151.5 Å²	151.5	75%	0.749	76%	0.756	S	S	*	*			trans	-89.5	-169.5	-159.2	-175.7	24	0	0	0	113.4
742	L	26.7	Very low	28.5	Very low	137 Å²	137	147.1 Å²	147.1	72%	0.717	76%	0.759	S	S	*	*			trans	75.5	144.2	175.3	-73.1	88.6	0	0	0	116.8
743	E	27.6	Very low	28.4	Very low	122 Å²	122	144.8 Å²	144.8	57%	0.57	76%	0.763	S	S	*	*			cis	-172.6	177.4	-28	-124.7	-169.6	155.3	0	0	107.1
744	K	28.4	Very low	28.6	Very low	151 Å²	151	145.8 Å²	145.8	66%	0.657	76%	0.763	S	S	*	*			trans	34.4	119.7	143.2	-68.5	170.6	-170.2	143.8	0	118.1
745	L	23.7	Very low	28.6	Very low	153 Å²	153	145.7 Å²	145.7	80%	0.801	76%	0.762	S	S	*	*				-173.6	153.2	56.8	-112.2	141.9	0	0	0	113
746	V	31.8	Very low	28.6	Very low	123 Å²	123	140.4 Å²	140.4	75%	0.745	75%	0.753	S	S	*	*			trans	-102.4	131.1	160.5	178	0	0	0	0	108.4	R748	V746-R748 HydrophobicContact CG1-CB 4.41Å
747	P	39.2	Very low	28.7	Very low	118 Å²	118	140.8 Å²	140.8	77%	0.766	75%	0.754	S	S	*	*				-125.6	125.1	121.1	0.9	20.1	0	0	0	110.4
748	R	25.3	Very low	28.8	Very low	212 Å²	212	139.2 Å²	139.2	80%	0.8	75%	0.747	S	S	*	*			cis	93.1	107.2	49.7	-179.4	-171.2	168	157.9	2	112.2	V746	V746-R748 HydrophobicContact CG1-CB 4.41Å
749	V	26.4	Very low	28.9	Very low	119 Å²	119	139.4 Å²	139.4	72%	0.721	75%	0.748	S	S	*	*			trans	73.5	142.6	153.2	171.8	0	0	0	0	113.6
750	K	29.1	Very low	28.8	Very low	188 Å²	188	139.1 Å²	139.1	82%	0.817	75%	0.751	S	S	*	*			cis	-154.3	149.6	43.5	-147.2	152.1	-174.8	-175	0	113.6
751	V	28.7	Very low	29.6	Very low	128 Å²	128	135.2 Å²	135.2	78%	0.776	74%	0.744	S	S	*	*			trans	20.5	137.4	140.1	-176.6	0	0	0	0	118.9
752	G	27.1	Very low	29.5	Very low	67 Å²	67	133.4 Å²	133.4	69%	0.691	75%	0.748	S	S	*	*			cis	148.4	-171.3	1	0	0	0	0	0	113.1
753	S	23.9	Very low	29.5	Very low	113 Å²	113	136.7 Å²	136.7	79%	0.79	76%	0.757	S	S	*	*			trans	69.4	91.2	164.5	-51.2	0	0	0	0	120
754	E	28.9	Very low	30.2	Very low	170 Å²	170	136 Å²	136	79%	0.794	76%	0.763	S	S	*	*				-1.3	159	110.1	-89.9	-76	97.4	0	0	118.6
755	P	46.3	Very low	30.2	Very low	104 Å²	104	133.2 Å²	133.2	68%	0.675	76%	0.763	S	S	*	*			cis	-145.8	179.6	16.8	41.5	-21.2	0	0	0	119.8
756	A	28.2	Very low	30.3	Very low	73 Å²	73	135 Å²	135	60%	0.603	77%	0.766	S	S	*	*				105.6	142.4	128.2	0	0	0	0	0	123.3
757	K	29.7	Very low	30.3	Very low	190 Å²	190	132.7 Å²	132.7	83%	0.826	76%	0.761	S	S	*	*			trans	75.2	145	152.1	-75.2	173.3	178	-176.3	0	119.7
758	D	28.6	Very low	29.9	Very low	133 Å²	133	133.8 Å²	133.8	71%	0.711	77%	0.766	S	S	*	*			cis	-167.5	173	-24.6	-139.9	-58.9	0	0	0	111.4
759	C	24.4	Very low	30.1	Very low	110 Å²	110	128.9 Å²	128.9	74%	0.743	76%	0.764	S	S	*	*			trans	74.9	129.5	152.8	-69.3	0	0	0	0	122.9
760	L	28.1	Very low	30.3	Very low	166 Å²	166	130 Å²	130	87%	0.869	77%	0.766	S	S	*	*			trans	-88.8	-171.1	154.9	-69.5	173.9	0	0	0	108.7
761	P	43	Very low	30.4	Very low	123 Å²	123	131.3 Å²	131.3	80%	0.799	77%	0.765	S	S	*	*			cis	-146.3	-178.6	11.7	45	-25.5	0	0	0	118
762	A	23.6	Very low	30.5	Very low	102 Å²	102	129.2 Å²	129.2	84%	0.843	76%	0.756	S	S	*	*			trans	174	164.2	134.7	0	0	0	0	0	114.2
763	K	28.1	Very low	30.6	Very low	206 Å²	206	135.2 Å²	135.2	90%	0.896	77%	0.766	S	S	*	*			trans	-134.5	-177.3	174.9	-105.2	-171	176.6	-172.5	0	107.7
764	P	42.2	Very low	30.7	Very low	106 Å²	106	133.3 Å²	133.3	69%	0.688	76%	0.764	S	S	*	*			cis	-140.9	-155.4	12.1	43.4	-21.8	0	0	0	115.6
765	S	27.2	Very low	30.6	Very low	94 Å²	94	131.1 Å²	131.1	66%	0.657	77%	0.768	S	S	*	*			trans	67	136	164.6	41.5	0	0	0	0	118.8
766	E	27.1	Very low	29.7	Very low	189 Å²	189	131.6 Å²	131.6	88%	0.883	77%	0.774	S	S	*	*			cis	83.2	135.7	34.7	-67	-179.2	96.9	0	0	114.9
767	A	31	Very low	29.9	Very low	76 Å²	76	137.5 Å²	137.5	63%	0.628	78%	0.781	S	S	*	*			cis	-169.9	175.6	-12.6	0	0	0	0	0	112.8
768	T	30.6	Very low	30	Very low	141 Å²	141	134.5 Å²	134.5	87%	0.865	77%	0.774	S	S	*	*			trans	87.4	144.8	153.3	73.8	0	0	0	0	124.4
769	S	29.8	Very low	30	Very low	109 Å²	109	132 Å²	132	76%	0.762	78%	0.779	S	S	*	*			trans	76.6	92	142.5	-150	0	0	0	0	124.9
770	D	29.9	Very low	30.4	Very low	142 Å²	142	136.4 Å²	136.4	76%	0.759	79%	0.788	S	S	*	*				37.5	137.6	111.5	-140.8	-19.4	0	0	0	124.1
771	R	33	Very low	30.2	Very low	216 Å²	216	131.7 Å²	131.7	82%	0.815	78%	0.78	S	S	*	*			trans	96.2	126.3	134.8	-134.2	-170.8	156.4	110	-4.8	124.6
772	S	30.3	Very low	29.5	Very low	83 Å²	83	130.5 Å²	130.5	58%	0.58	78%	0.775	S	S	*	*			trans	99.3	142.3	131.4	-122.1	0	0	0	0	123
773	E	28.2	Very low	29.7	Very low	193 Å²	193	133 Å²	133	90%	0.902	77%	0.774	S	S	*	*			trans	65.1	149.3	158.4	-60.8	179.3	121.8	0	0	119.9
774	G	27.2	Very low	29.9	Very low	73 Å²	73	131.1 Å²	131.1	75%	0.753	77%	0.768	S	S	*	*			cis	166.7	151.4	-13.6	0	0	0	0	0	116.4
775	S	26	Very low	29.2	Very low	125 Å²	125	132.5 Å²	132.5	87%	0.874	77%	0.77	S	S	*	*			trans	80.7	147.9	152.5	-150.8	0	0	0	0	123.7
776	S	28.4	Very low	29.5	Very low	114 Å²	114	136.6 Å²	136.6	80%	0.797	78%	0.779	S	S	*	*			trans	79.3	149.4	146	-158.9	0	0	0	0	121.5
777	R	32.1	Very low	29.7	Very low	197 Å²	197	135.5 Å²	135.5	74%	0.743	77%	0.774	S	S	*	*			cis	-172.1	161.1	-46	-130.7	-176.4	98.1	175.8	0.4	111.2
778	D	31.4	Very low	29.5	Very low	127 Å²	127	136.4 Å²	136.4	68%	0.679	78%	0.775	S	S	*	*			trans	62.6	163.3	161.1	-51	-43.6	0	0	0	119.7
779	G	28.1	Very low	29.3	Very low	79 Å²	79	134.6 Å²	134.6	81%	0.814	77%	0.768	S	S	*	*			trans	-177.2	-61.4	-176.8	0	0	0	0	0	120.3
780	Q	32.4	Very low	29.2	Very low	203 Å²	203	135.1 Å²	135.1	95%	0.949	77%	0.766	S	S	*	*			trans	61.7	130.7	164.4	-165.5	162.2	10.3	0	0	123.9
781	G	25.2	Very low	29.2	Very low	67 Å²	67	133.9 Å²	133.9	69%	0.691	76%	0.764	S	S	*	*			trans	100.1	157	150.6	0	0	0	0	0	118.5
782	S	28.3	Very low	28.9	Very low	98 Å²	98	130 Å²	130	69%	0.685	76%	0.759	S	S	*	*			cis	-168.7	165.5	-18.5	-79.1	0	0	0	0	110.4
783	D	27.6	Very low	28.8	Very low	155 Å²	155	135.9 Å²	135.9	83%	0.829	77%	0.77	S	S	*	*			trans	63.7	153.5	158.8	-48.1	-34.9	0	0	0	118.3
784	E	30.9	Very low	28.7	Very low	167 Å²	167	133.1 Å²	133.1	78%	0.78	77%	0.766	S	S	*	*			cis	-165.9	-179.9	-19	64.7	168.1	144.1	0	0	106.8
785	N	28.8	Very low	28.7	Very low	134 Å²	134	136.9 Å²	136.9	72%	0.717	76%	0.764	S	S	*	*			cis	-168	160.1	-38.7	-94.3	-2.6	0	0	0	107.2
786	E	33.4	Very low	28.7	Very low	181 Å²	181	137.1 Å²	137.1	85%	0.846	76%	0.76	S	S	*	*			cis	-102.9	-110.6	-20.4	-66.1	-171.7	45.1	0	0	109.3
787	E	30.3	Very low	29.3	Very low	166 Å²	166	137.7 Å²	137.7	78%	0.776	76%	0.759	S	S	*	*			cis	-153.8	161	-9.7	-139.6	-150.9	-48	0	0	105.1
788	S	28.3	Very low	29.1	Very low	94 Å²	94	134.5 Å²	134.5	66%	0.657	76%	0.761	S	S	*	*			cis	-157	-161	12.3	-164.1	0	0	0	0	111.8
789	S	25.8	Very low	29.1	Very low	104 Å²	104	131.8 Å²	131.8	73%	0.727	76%	0.763	S	S	*	*			trans	-71.2	163.1	-174.9	-97.2	0	0	0	0	117.7
790	V	26.7	Very low	29.3	Very low	119 Å²	119	137.1 Å²	137.1	72%	0.721	77%	0.767	S	S	*	*			cis	-148.5	153.4	17.2	92.1	0	0	0	0	114
791	V	30.2	Very low	29.7	Very low	117 Å²	117	136.1 Å²	136.1	71%	0.709	76%	0.762	S	S	*	*			trans	-25	168.3	170.7	-51.9	0	0	0	0	120.5
792	D	26.4	Very low	30	Very low	133 Å²	133	140.5 Å²	140.5	71%	0.711	77%	0.77	S	S	*	*			cis	-151.7	172.1	20.4	-153.4	1.5	0	0	0	115.4
793	Y	28.8	Very low	30.5	Very low	208 Å²	208	139.6 Å²	139.6	82%	0.816	77%	0.768	S	S	*	*			trans	-91.2	-161.1	-178.3	-70.8	-112.6	0	0	0	112.5
794	V	26.1	Very low	30.5	Very low	135 Å²	135	139.5 Å²	139.5	82%	0.818	77%	0.766	S	S	*	*				-151.3	139.9	63.5	167.2	0	0	0	0	111.5
795	E	27.6	Very low	30.4	Very low	152 Å²	152	136.7 Å²	136.7	71%	0.71	77%	0.765	S	S	*	*			trans	-105.6	159.4	165.9	171	178.9	-167.1	0	0	109.3
796	V	26.6	Very low	30.5	Very low	130 Å²	130	136.6 Å²	136.6	79%	0.788	76%	0.764	S	S	*	*			trans	175.1	138.8	137.9	146.1	0	0	0	0	112	V798	V796-V798 HydrophobicContact CG1-CG2 4.45Å
797	T	39.8	Very low	30.4	Very low	125 Å²	125	138.1 Å²	138.1	77%	0.767	76%	0.762	S	S	*	*			trans	-91	145.5	169.5	52.2	0	0	0	0	112.1
798	V	28.2	Very low	30.3	Very low	130 Å²	130	134 Å²	134	79%	0.788	75%	0.752	S	S	*	*			trans	-131.8	138.4	155.6	-176.3	0	0	0	0	108.2	V796	V796-V798 HydrophobicContact CG1-CG2 4.45Å
799	G	32	Very low	30.4	Very low	70 Å²	70	135.3 Å²	135.3	72%	0.722	75%	0.752	S	S	*	*			trans	-133.7	153.2	165.3	0	0	0	0	0	108.4
800	E	32.6	Very low	30.4	Very low	192 Å²	192	136.4 Å²	136.4	90%	0.897	76%	0.759	S	S	*	*			trans	-153.9	160.2	176.5	-122.5	163.9	-169.7	0	0	110.1
801	E	41	Very low	30.4	Very low	182 Å²	182	141 Å²	141	85%	0.85	76%	0.764	S	S	*	*			trans	-121.1	146.5	-172.2	63.8	-158.9	110.3	0	0	110.2
802	D	30.7	Very low	30.4	Very low	158 Å²	158	140.4 Å²	140.4	85%	0.845	77%	0.765	S	S	*	*			trans	-164.6	170.5	140.8	-136.1	-37.4	0	0	0	112.1
803	A	37.9	Very low	30.4	Very low	79 Å²	79	142.4 Å²	142.4	65%	0.653	77%	0.77	S	S	*	*			trans	-125.3	-152.4	-173.9	0	0	0	0	0	112.6
804	I	28.6	Very low	30.3	Very low	154 Å²	154	136.9 Å²	136.9	79%	0.79	77%	0.767	S	S	*	*			trans	74.5	138.4	169.6	-56.3	160.8	0	0	0	113.1
805	S	28.9	Very low	30.2	Very low	107 Å²	107	134.6 Å²	134.6	75%	0.748	76%	0.762	S	S	*	*			cis	-173.5	170.8	-14	-96.6	0	0	0	0	107.4
806	D	29.8	Very low	30.1	Very low	133 Å²	133	132.2 Å²	132.2	71%	0.711	77%	0.769	S	S	*	*			cis	-172.9	173.2	-14.5	172.9	32.5	0	0	0	107.1
807	R	31.6	Very low	30.1	Very low	212 Å²	212	135.3 Å²	135.3	80%	0.8	77%	0.774	S	S	*	*			trans	72.3	151.5	166.4	-76.6	-170	155.1	135.1	-0.8	120.1
808	S	29	Very low	29.4	Very low	79 Å²	79	132.2 Å²	132.2	55%	0.552	77%	0.767	S	S	*	*			cis	-152.2	140.7	-4.3	-117.4	0	0	0	0	113.7
809	D	30.3	Very low	29.4	Very low	123 Å²	123	131 Å²	131	66%	0.658	77%	0.771	S	S	*	*			trans	41	130.5	136.3	-58.6	-81.6	0	0	0	123.4
810	S	26.6	Very low	29.4	Very low	126 Å²	126	133.4 Å²	133.4	88%	0.881	77%	0.771	S	S	*	*				-144.5	151.9	118.9	-161.6	0	0	0	0	111.4
811	W	26.6	Very low	29.2	Very low	217 Å²	217	131.3 Å²	131.3	82%	0.822	76%	0.761	S	S	*	*			trans	-74.3	154.4	-166.7	-73.4	-0.7	0	0	0	113.8
812	S	29.2	Very low	28.7	Very low	104 Å²	104	129.2 Å²	129.2	73%	0.727	76%	0.755	S	S	*	*				61.9	140.1	58	-66.2	0	0	0	0	112.7
813	Q	27	Very low	28.8	Very low	175 Å²	175	124 Å²	124	82%	0.818	73%	0.734	S	S	*	*			cis	-173.2	159.8	1.1	150.4	-179.4	6.5	0	0	110.2
814	A	25.6	Very low	28.5	Very low	91 Å²	91	125.5 Å²	125.5	75%	0.752	73%	0.727	S	S	*	*			trans	63	-173.8	161.2	0	0	0	0	0	118.9
815	A	24.8	Very low	28.8	Very low	88 Å²	88	121.4 Å²	121.4	73%	0.727	71%	0.712	S	S	*	*				-177.2	154.7	-64.3	0	0	0	0	0	110.2
816	A	25.5	Very low	28.8	Very low	102 Å²	102	123.2 Å²	123.2	84%	0.843	71%	0.714	S	S	*	*			trans	62.1	160.1	179.6	0	0	0	0	0	114.1
817	E	25.7	Very low	29.1	Very low	195 Å²	195	121.7 Å²	121.7	91%	0.911	71%	0.713	S	S	*	*			cis	-128.7	-179.3	-5.7	-83	-159.6	77.6	0	0	108.2
818	G	26	Very low	29.1	Very low	60 Å²	60	118.9 Å²	118.9	62%	0.619	71%	0.714	S	S	*	*			cis	148.5	159.9	-2.3	0	0	0	0	0	111.2
819	A	28.8	Very low	29.1	Very low	104 Å²	104	120.4 Å²	120.4	86%	0.86	72%	0.724	S	S	*	*			trans	65.8	156.4	177	0	0	0	0	0	116.1
820	V	30.8	Very low	29.3	Very low	120 Å²	120	121.2 Å²	121.2	73%	0.727	73%	0.733	S	S	*	*			cis	-157.1	159.1	-7.6	97	0	0	0	0	112.2
821	E	29.2	Very low	30.4	Very low	149 Å²	149	120.8 Å²	120.8	70%	0.696	73%	0.727	S	S	*	*			trans	64	127.1	164.9	-71.3	-173.7	107.1	0	0	120.8
822	L	30.8	Very low	30.7	Very low	137 Å²	137	114.6 Å²	114.6	72%	0.717	72%	0.722	S	S	*	*				60.5	152.5	80.1	-83.6	87.8	0	0	0	114.1
823	A	32.8	Very low	30.9	Very low	48 Å²	48	118.1 Å²	118.1	40%	0.397	73%	0.727	S	S	.	*			cis	165.6	170	-10.6	0	0	0	0	0	104.4
824	E	31.1	Very low	31.5	Very low	111 Å²	111	114.6 Å²	114.6	52%	0.519	73%	0.728	S	S	.	*			cis	-165.1	152.6	-13	-121.2	173	112.8	0	0	108.7	P418	P418-E824 CarbonylContact O-C 3.43Å; P418-E824 WeakPolarHBondContact O-CA 3.43Å
825	S	35.6	Very low	32	Very low	68 Å²	68	113.6 Å²	113.6	48%	0.476	73%	0.727	S	S	.	*			trans	59.7	171.6	147.3	-51.4	0	0	0	0	119.1	P418	P418-S825 PolarHBondContact O-N 2.73Å
826	D	29.1	Very low	32.7	Very low	145 Å²	145	119.2 Å²	119.2	78%	0.775	74%	0.738	S	S	*	*			cis	-136	158.8	-8	-104.7	-47.7	0	0	0	106.8
827	S	34.8	Very low	33.7	Very low	101 Å²	101	122.8 Å²	122.8	71%	0.706	77%	0.768	S	S	*	*				73.6	105.1	51.6	-159	0	0	0	0	116.5
828	D	31	Very low	34.1	Very low	153 Å²	153	119.2 Å²	119.2	82%	0.818	76%	0.761	S	S	*	*			trans	-177.2	164.4	162.1	-110.4	-18.3	0	0	0	108.6
829	C	29.1	Very low	34.5	Very low	111 Å²	111	122.3 Å²	122.3	75%	0.75	77%	0.768	S	S	*	*			cis	-160.7	164.3	-47.5	-118.4	0	0	0	0	109.8
830	V	35.7	Very low	34.8	Very low	140 Å²	140	123.3 Å²	123.3	85%	0.848	76%	0.763	S	S	*	*			trans	-83.3	137.4	-177.4	171.7	0	0	0	0	111.7
831	P	48.6	Very low	35	Very low	118 Å²	118	123.5 Å²	123.5	77%	0.766	77%	0.765	S	S	*	*				-148	177.8	116.3	40	-23.8	0	0	0	112.8
832	A	34	Very low	35.4	Very low	87 Å²	87	121.9 Å²	121.9	72%	0.719	77%	0.769	S	S	*	*			cis	-135.5	156.8	-0.1	0	0	0	0	0	109.3
833	E	33.6	Very low	35.7	Very low	178 Å²	178	120.9 Å²	120.9	83%	0.832	77%	0.773	S	S	*	*			cis	75.7	98	41	-108	-69.9	81	0	0	115.4
834	A	38.7	Very low	35.9	Very low	101 Å²	101	126.1 Å²	126.1	84%	0.835	80%	0.8	S	S	*	*			trans	173.7	136.4	155.5	0	0	0	0	0	108.7
835	G	35.4	Very low	36.3	Very low	70 Å²	70	127.3 Å²	127.3	72%	0.722	82%	0.821	S	S	*	*			cis	177.6	144.6	-6.2	0	0	0	0	0	108.7
836	Q	39.8	Very low	36.4	Very low	205 Å²	205	132.3 Å²	132.3	96%	0.958	85%	0.85	S	S	*	*			trans	-78.7	142.1	-168.4	-66.8	170.5	-14.3	0	0	114.2
837	A	46.6	Very low	37	Very low	178 Å²	178	131.1 Å²	131.1	100%	1.471	86%	0.857	S	S	*	*			trans	-154.2	0	155	0	0	0	0	0	109.2

Retrieved 837 of 837 residues in 434.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).