A0A5K4F9Y0_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9Y0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 956 aa.

						>A0A5K4F9Y0_SCHMA|A0A5K4F9Y0
MNSPSILKTARRSRGYRSLSNEISNETDTELSTIHDTNNNNRNTRRTSTTLSSMHFATNLVYNLLSPKYSPVFRSSRFKQKSILKEPNKRSNRISNLHSSISSETSSLESLDSLSSTDLLPSVEMKKHSKKLIKQNDEKDRILEERRNNSYQLTKCNLSGNNNNNENNDINSQQSLNMYEGRQIDDRLSGKRTDRSSNSIGVNNKNHENPGAFNKIILNLPINRIKKDHLCTTQSAPCSPIFVKKEHTTPAQLLHTVFNSERITSPYLKKKPIFHLNPVKETTIPSSNSLLISNVKNHLNGNLLIKQNKSYYQKTYNNNKDSNNLNNLPLSQLELNIQQFKSINKQLDVDNLDDKSADYVNNNNNNNNKGKVPLDNDHFLNRKNEPDNLIKRDPKHYLNEVHCESAKRIETPPPSYSDLTILNESNQNHLIRIGNNNDGLDSNYSLLSKIDEQLNINQNSKYAYESLEKSRKFTKQTNHNITNNCTNTTSTTIPSALHPSDLSAQRRDSTNQDDSYRKVVLQRHDTTERFGMRLERTKGIRQVTYIAMILPKSPAQLAGLKVGDRLIRVNELETDQMLLDELLNYIRKSIGPLYLYYQTRPFTSYLLTTVIRKQNGKIGIKLKSCKNELRIDVVLPNSPASRVGLRSGQQVVSLNGQCVHGWDQLTAMHWFRHYPDSVDLTITVLDELDKAENTIKSRTAPVCDSSIKKDSIRENYQNGANDKAFDDFSSIDLPSKSKKIAVTQFNEKNLNSNVPCENLLDSSSVTPTSFISNEQESHCGRENVLNPLFLFTKNEKNNTTVPVNTCQSAYLCTLDSCPLKREDRKFYIPNPAVPSNDNANNYREMRQINSQDYDLFYSTDHDKIESTHLQFTEPVIHQYNLDNDNNNNCQCSSTIPNQDKLINRQNLNDYQFNKNSTDVVEADNEKMESLNLQSNDNLFLSDPILSNDCLYKSDCV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.8	Very low	37.3	Very low	220 Å²	220	154.6 Å²	154.6	100%	1.084	84%	0.843	S	S	*	*				0	91.1	0	-61	-49.2	-171.5	0	0	110.7
2	N	35.5	Very low	37.2	Very low	147 Å²	147	162.2 Å²	162.2	79%	0.786	85%	0.85	S	S	*	*			cis	-152.7	131.3	-34.8	-93	-4.9	0	0	0	107.4
3	S	34.1	Very low	37.5	Very low	111 Å²	111	158 Å²	158	78%	0.776	84%	0.842	S	S	*	*			trans	-96.2	168.9	159.7	62	0	0	0	0	108.5
4	P	47.6	Very low	37.5	Very low	105 Å²	105	165 Å²	165	68%	0.682	85%	0.851	S	S	*	*				-149.5	168	79.8	39.6	-21.8	0	0	0	115.9	I6	P4-I6 HydrophobicContact CB-CD1 4.49Å
5	S	34.8	Very low	37.3	Very low	116 Å²	116	158.4 Å²	158.4	81%	0.811	84%	0.84	S	S	*	*			trans	-100.6	136.2	151.7	51.8	0	0	0	0	108.5
6	I	39	Very low	37.2	Very low	144 Å²	144	162.3 Å²	162.3	74%	0.738	84%	0.841	S	S	*	*			trans	-156.8	131.5	179.7	-117.2	156	0	0	0	115.6	P4	P4-I6 HydrophobicContact CB-CD1 4.49Å
7	L	37.4	Very low	37.3	Very low	164 Å²	164	165.7 Å²	165.7	86%	0.859	84%	0.841	S	S	*	*			trans	69.7	150.1	153.5	-63.9	174.4	0	0	0	123.7
8	K	33.5	Very low	37.2	Very low	200 Å²	200	161.2 Å²	161.2	87%	0.87	83%	0.827	S	S	*	*			trans	-100.5	153.1	177.9	-52.3	162.6	179.7	172.5	0	109.7
9	T	39.1	Very low	37	Very low	149 Å²	149	160.5 Å²	160.5	91%	0.914	82%	0.824	S	S	*	*			trans	-139.9	137.3	153.6	50.8	0	0	0	0	110.8
10	A	32.3	Very low	36.7	Very low	100 Å²	100	157.5 Å²	157.5	83%	0.826	82%	0.818	S	S	*	*			trans	-133.3	129.4	179.5	0	0	0	0	0	112
11	R	39.5	Very low	36.6	Very low	245 Å²	245	156.9 Å²	156.9	93%	0.925	82%	0.816	S	S	*	*			trans	-149.6	106.7	163.6	-73.6	-179.7	176.7	170.4	-2.4	106.4
12	R	35.6	Very low	36.4	Very low	245 Å²	245	153.9 Å²	153.9	93%	0.925	80%	0.8	S	S	*	*				53.1	108.4	80	-80.2	-165.8	170.7	-152	-0.7	114.7
13	S	40.8	Very low	36.3	Very low	108 Å²	108	155 Å²	155	76%	0.755	80%	0.803	S	S	*	*				-178.5	135.6	110.4	57.6	0	0	0	0	113.7
14	R	38	Very low	36.4	Very low	256 Å²	256	154.4 Å²	154.4	97%	0.966	80%	0.799	S	S	*	*			trans	43.7	140.2	148.4	-63.6	172.2	168.2	145.6	-5.8	119.3
15	G	35.1	Very low	35.7	Very low	66 Å²	66	156.5 Å²	156.5	68%	0.68	81%	0.805	S	S	*	*			cis	175.4	151.1	1.6	0	0	0	0	0	105.9
16	Y	34.6	Very low	35.6	Very low	221 Å²	221	160.4 Å²	160.4	87%	0.867	81%	0.81	S	S	*	*				-151.2	149.2	62.6	-85.3	-100.4	0	0	0	108.2
17	R	39	Very low	35.3	Very low	220 Å²	220	158.7 Å²	158.7	83%	0.83	81%	0.807	S	S	*	*				49.5	127.3	83.5	-91.4	-173.5	-176.7	-84.7	4.3	113.5
18	S	35.6	Very low	35	Very low	85 Å²	85	157.7 Å²	157.7	59%	0.594	80%	0.802	S	S	*	*			cis	-156.5	153	17.5	-79.7	0	0	0	0	114.5
19	L	33.4	Very low	35.1	Very low	147 Å²	147	154.2 Å²	154.2	77%	0.77	80%	0.798	S	S	*	*			trans	62	82.1	147.7	-63.8	166.9	0	0	0	119.4
20	S	31.9	Very low	34.8	Very low	101 Å²	101	154.7 Å²	154.7	71%	0.706	79%	0.79	S	S	*	*				-68.7	145	128.1	49.1	0	0	0	0	109.9
21	N	34.8	Very low	34.8	Very low	145 Å²	145	157 Å²	157	78%	0.775	79%	0.787	S	S	*	*			trans	-118	123.5	162.5	-97.1	31.1	0	0	0	108.5
22	E	33.1	Very low	34.5	Very low	157 Å²	157	150 Å²	150	73%	0.734	78%	0.776	S	S	*	*			trans	-77.1	163.2	172.5	-59.9	117.5	154.8	0	0	111.9
23	I	33.7	Very low	34.2	Very low	169 Å²	169	144.2 Å²	144.2	87%	0.867	77%	0.768	S	S	*	*			trans	-151.9	104.4	141.7	-98.6	147.4	0	0	0	106.4
24	S	35.5	Very low	33.9	Very low	99 Å²	99	146.2 Å²	146.2	69%	0.692	77%	0.769	S	S	*	*			trans	-153.4	66.1	171	60.6	0	0	0	0	110.1
25	N	32.1	Very low	33.7	Very low	149 Å²	149	141.5 Å²	141.5	80%	0.797	76%	0.757	S	S	*	*			trans	43.6	83.2	152.9	-52.1	-8	0	0	0	117
26	E	33.2	Very low	33.7	Very low	198 Å²	198	144 Å²	144	93%	0.925	76%	0.756	S	S	*	*			trans	-91.4	127.5	143.4	-67.9	-172.6	151.5	0	0	107.9
27	T	32.2	Very low	33.7	Very low	109 Å²	109	139.4 Å²	139.4	67%	0.669	75%	0.751	S	S	*	*			trans	-120.7	154.8	164.3	61.7	0	0	0	0	108.6
28	D	31.9	Very low	33.6	Very low	142 Å²	142	135.3 Å²	135.3	76%	0.759	75%	0.745	S	S	*	*			trans	67.3	113.6	172.7	-42.1	-61.9	0	0	0	112.9
29	T	35.3	Very low	33.6	Very low	128 Å²	128	137.1 Å²	137.1	79%	0.785	75%	0.748	S	S	*	*				-156.9	161.6	58.5	-35.7	0	0	0	0	112.5
30	E	33.1	Very low	33.8	Very low	159 Å²	159	134.6 Å²	134.6	74%	0.743	74%	0.735	S	S	*	*			trans	83.7	111.9	159.6	-56.1	-152.4	160.8	0	0	121.3
31	L	33	Very low	34.1	Very low	147 Å²	147	132.2 Å²	132.2	77%	0.77	72%	0.715	S	S	*	*				58.1	111.8	129.5	-57	171.8	0	0	0	117.8
32	S	31.8	Very low	34.1	Very low	98 Å²	98	131.8 Å²	131.8	69%	0.685	70%	0.702	S	S	*	*			cis	173.1	154.1	45.4	42.4	0	0	0	0	110.9
33	T	30.9	Very low	34.2	Very low	125 Å²	125	130.6 Å²	130.6	77%	0.767	70%	0.701	S	S	*	*			trans	36	129.1	151.4	61.7	0	0	0	0	119.4
34	I	33.2	Very low	34.2	Very low	150 Å²	150	128.2 Å²	128.2	77%	0.769	69%	0.694	S	S	*	*				-154.3	152.8	52.6	-74.3	176.7	0	0	0	110.7
35	H	35.1	Very low	34	Very low	156 Å²	156	134.7 Å²	134.7	72%	0.722	70%	0.704	S	S	*	*			trans	-10.6	153.1	152.7	-71	-92.6	0	0	0	119.4
36	D	34.1	Very low	33.9	Very low	120 Å²	120	138.7 Å²	138.7	64%	0.642	71%	0.708	S	S	*	*			cis	-163.1	151.7	15.5	-123.1	-21.8	0	0	0	113.5
37	T	35.3	Very low	33.7	Very low	124 Å²	124	135.4 Å²	135.4	76%	0.761	70%	0.701	S	S	*	*			trans	55.1	159.2	151.1	62.7	0	0	0	0	122.8
38	N	36.5	Very low	33.6	Very low	134 Å²	134	135.9 Å²	135.9	72%	0.717	71%	0.709	S	S	*	*			cis	-167.7	129.6	-42.2	-152.9	-17.5	0	0	0	110.4
39	N	36	Very low	33.4	Very low	122 Å²	122	135.2 Å²	135.2	65%	0.652	71%	0.71	S	S	*	*			trans	70.1	151.3	145.6	-105.2	-34.7	0	0	0	125.3
40	N	37.7	Very low	33.1	Very low	95 Å²	95	135.8 Å²	135.8	51%	0.508	71%	0.714	S	S	.	*			trans	74.1	145.5	151	-64.5	-28.7	0	0	0	119.9
41	N	37.2	Very low	32.9	Very low	50 Å²	50	136.3 Å²	136.3	27%	0.267	72%	0.721	S	S	.	*			cis	-171	148.3	-9.9	-115.1	-28.7	0	0	0	116.5	K320 D321	N41-K320 PolarHBondContact ND2-O 3.1Å; N41-D321 WeakPolarHBondContact CB-O 3.45Å; N41-D321 PolarHBondContact ND2-O 3.47Å
42	R	35.8	Very low	32.7	Very low	136 Å²	136	134.9 Å²	134.9	51%	0.513	72%	0.723	S	S	.	*			trans	61.4	127.3	135.9	-76	168.9	170.9	124.3	3.9	124.8	N319 K320	R42-N319 PolarHBondContact NH1-O 2.84Å; R42-N319 PolarHBondContact NH2-O 2.89Å; R42-K320 PolarHBondContact NH1-O 3.23Å
43	N	34.2	Very low	32.6	Very low	133 Å²	133	134.2 Å²	134.2	71%	0.711	72%	0.718	S	S	*	*				72.7	153.9	125.7	-63.6	-1	0	0	0	120.6
44	T	34.6	Very low	32.7	Very low	118 Å²	118	137.4 Å²	137.4	72%	0.724	73%	0.727	S	S	*	*			cis	-158.2	130.8	-8.1	12.5	0	0	0	0	113.9
45	R	30.2	Very low	32.5	Very low	235 Å²	235	138.2 Å²	138.2	89%	0.887	73%	0.727	S	S	*	*			trans	8.5	117.2	131.5	-169.4	-171.7	-153.5	-171.6	8.3	119.2
46	R	30	Very low	32.3	Very low	234 Å²	234	140.1 Å²	140.1	88%	0.883	73%	0.734	S	S	*	*			trans	-175.1	120.4	131.1	-108.5	172.4	-177.5	169.2	1.8	116.9
47	T	28.8	Very low	32.2	Very low	129 Å²	129	138.2 Å²	138.2	79%	0.791	73%	0.734	S	S	*	*			trans	32.8	112	137.1	57.5	0	0	0	0	121.8
48	S	30	Very low	32	Very low	119 Å²	119	139.1 Å²	139.1	83%	0.832	74%	0.74	S	S	*	*			trans	-157.6	140.6	137.7	59.5	0	0	0	0	112.4
49	T	27.8	Very low	31.6	Very low	128 Å²	128	140.5 Å²	140.5	79%	0.785	75%	0.747	S	S	*	*			trans	-56.4	140.4	175	47.8	0	0	0	0	114.9
50	T	30.4	Very low	31.7	Very low	140 Å²	140	142.2 Å²	142.2	86%	0.859	76%	0.756	S	S	*	*				179	167.5	129.6	23.2	0	0	0	0	113
51	L	27.5	Very low	31.7	Very low	169 Å²	169	143.5 Å²	143.5	89%	0.885	77%	0.767	S	S	*	*			trans	-66.8	139.3	177.5	-70.4	58.3	0	0	0	112.3
52	S	29.2	Very low	31.4	Very low	117 Å²	117	150.9 Å²	150.9	82%	0.818	79%	0.792	S	S	*	*			trans	-168.9	142.4	135.6	-161	0	0	0	0	114.1
53	S	30.8	Very low	31.5	Very low	84 Å²	84	149.3 Å²	149.3	59%	0.587	79%	0.794	S	S	*	*			trans	38.8	115.6	147.8	-163.8	0	0	0	0	121.5	H55	S53-H55 WeakPolarHBondContact OG-CB 3.13Å
54	M	31.3	Very low	31.9	Very low	193 Å²	193	146.7 Å²	146.7	95%	0.951	78%	0.78	S	S	*	*				-118.3	112.6	125.8	-74.3	-155.2	76.1	0	0	108.4
55	H	30.2	Very low	32.5	Very low	166 Å²	166	142.1 Å²	142.1	77%	0.769	75%	0.75	S	S	*	*			trans	-141	75.2	-169	-141.4	-58.2	0	0	0	111.9	S53	S53-H55 WeakPolarHBondContact OG-CB 3.13Å
56	F	31.5	Very low	33	Very low	197 Å²	197	132.5 Å²	132.5	86%	0.864	72%	0.72	S	S	*	*			trans	-140.9	142.1	170.7	-75.3	-91	0	0	0	109.7
57	A	30.7	Very low	33.4	Very low	79 Å²	79	125.2 Å²	125.2	65%	0.653	70%	0.703	S	S	*	*			cis	-161.8	116.6	-22.6	0	0	0	0	0	111
58	T	32.5	Very low	33.6	Very low	144 Å²	144	126.2 Å²	126.2	88%	0.883	70%	0.696	S	S	*	*			trans	-142.7	86.3	163.2	41.3	0	0	0	0	110.4	L60	T58-L60 PolarHBondContact O-N 2.72Å; T58-L60 VanDerWaalsContact O-N 3.13Å
59	N	28.4	Very low	33.8	Very low	162 Å²	162	131.4 Å²	131.4	87%	0.866	70%	0.699	S	S	*	*			trans	-77.7	93.2	179.2	-92.8	-36.6	0	0	0	111.5
60	L	36.9	Very low	33.9	Very low	159 Å²	159	129.8 Å²	129.8	83%	0.832	69%	0.693	S	S	*	*			trans	-144.4	89.7	169.1	-108.8	168.8	0	0	0	113	T58	T58-L60 PolarHBondContact O-N 2.72Å; T58-L60 VanDerWaalsContact O-N 3.13Å
61	V	37.5	Very low	34.1	Very low	122 Å²	122	127.2 Å²	127.2	74%	0.739	68%	0.678	S	S	*	*			trans	51.4	109.6	160.4	-174	0	0	0	0	118	N63	V61-N63 PolarHBondContact O-N 3.49Å
62	Y	31.4	Very low	34.5	Very low	204 Å²	204	125.2 Å²	125.2	80%	0.8	67%	0.673	S	S	*	*			trans	-55	125	171.5	-68.3	-101	0	0	0	113.8
63	N	38.3	Very low	34.6	Very low	103 Å²	103	128.1 Å²	128.1	55%	0.551	67%	0.671	S	S	*	*			trans	-162.9	34.6	146.9	-113.7	-20.2	0	0	0	114.5	V61	V61-N63 PolarHBondContact O-N 3.49Å
64	L	41.8	Very low	34.5	Very low	79 Å²	79	135.2 Å²	135.2	41%	0.414	69%	0.685	S	S	.	*			trans	-79.1	137.3	178.9	-66.2	174.3	0	0	0	111.9	S66 R529	L64-S66 PolarHBondContact O-N 3.33Å; L64-S66 VanDerWaalsContact O-N 3.1Å; L64-R529 PolarHBondContact O-NH1 3.05Å
65	L	48.5	Very low	34.6	Very low	21 Å²	21	131.3 Å²	131.3	11%	0.11	68%	0.676	C	S	.	*			trans	-63.1	109.6	-174.3	-71.9	70.6	0	0	0	112.2	R529 L583 I586 R587	L65-R529 WeakPolarHBondContact O-CG 3.5Å; L65-R529 PolarHBondContact O-NH1 3.16Å; L65-L583 HydrophobicContact CD1-CD1 4.25Å; L65-L583 HydrophobicContact CD1-CD2 4.19Å; L65-L583 HydrophobicContact CD2-CB 4.21Å; L65-L583 HydrophobicContact CD2-CD2 4.12Å; L65-L583 HydrophobicContact CG-CB 4.28Å; L65-L583 HydrophobicContact CG-CD2 4.45Å; L65-I586 HydrophobicContact CD2-CB 3.93Å; L65-I586 HydrophobicContact CD2-CG2 3.51Å; L65-R587 HydrophobicContact CB-CG 3.77Å; L65-R587 HydrophobicContact CD2-CG 4.29Å; L65-R587 HydrophobicContact CG-CG 4.13Å
66	S	40.6	Very low	34.7	Very low	34 Å²	34	127.5 Å²	127.5	24%	0.238	67%	0.669	C	S	.	*			trans	-137.4	142.6	171.7	167.1	0	0	0	0	108.3	L64 K68	L64-S66 PolarHBondContact O-N 3.33Å; L64-S66 VanDerWaalsContact O-N 3.1Å; S66-K68 PolarHBondContact O-N 3.46Å; S66-K68 PolarHBondContact OG-N 2.92Å; S66-K68 PolarHBondContact OG-O 3.27Å
67	P	37.4	Very low	34.7	Very low	81 Å²	81	129.1 Å²	129.1	53%	0.526	67%	0.669	S	S	.	*	S	Bend	trans	-74.7	-6.2	172.5	31.3	-34.9	0	0	0	113.5
68	K	34.1	Very low	34.7	Very low	149 Å²	149	134.3 Å²	134.3	65%	0.648	68%	0.677	S	S	*	*	S	Bend	trans	-130.7	136.3	-180	-62.8	177.1	-176.5	173.7	0	110.9	S66	S66-K68 PolarHBondContact O-N 3.46Å; S66-K68 PolarHBondContact OG-N 2.92Å; S66-K68 PolarHBondContact OG-O 3.27Å
69	Y	32.6	Very low	34.8	Very low	228 Å²	228	135.7 Å²	135.7	89%	0.894	67%	0.671	S	S	*	*			trans	65.8	99.5	-175.9	-52.2	-74.2	0	0	0	116.2
70	S	31.3	Very low	35	Very low	95 Å²	95	137.3 Å²	137.3	66%	0.664	67%	0.673	S	S	*	*			trans	-137.5	109.8	163.8	179.8	0	0	0	0	109.6
71	P	34.9	Very low	34.9	Very low	85 Å²	85	138.8 Å²	138.8	55%	0.552	67%	0.673	S	S	*	*			trans	-80.5	115.9	173.2	30.8	-30.7	0	0	0	110.1	F73	P71-F73 PolarHBondContact O-N 2.78Å
72	V	34.1	Very low	34.7	Very low	127 Å²	127	138.3 Å²	138.3	77%	0.77	68%	0.675	S	S	*	*			trans	-69	99	177.8	179.1	0	0	0	0	110	R74	V72-R74 PolarHBondContact O-N 3.02Å
73	F	32.7	Very low	34.6	Very low	178 Å²	178	136 Å²	136	78%	0.781	68%	0.675	S	S	*	*			trans	-67.8	94.5	175.1	-96.9	-83.2	0	0	0	111.5	P71 S75	P71-F73 PolarHBondContact O-N 2.78Å; F73-S75 VanDerWaalsContact C-N 3.28Å; F73-S75 PolarHBondContact O-N 3.39Å
74	R	28.7	Very low	34.3	Very low	234 Å²	234	138.6 Å²	138.6	88%	0.883	69%	0.688	S	S	*	*			trans	-71.8	78.4	167.3	-72.6	-172.3	172.5	-148.7	0.9	110.9	V72 S76	V72-R74 PolarHBondContact O-N 3.02Å; R74-S76 PolarHBondContact O-N 3.17Å
75	S	33.2	Very low	33.9	Very low	110 Å²	110	143.7 Å²	143.7	77%	0.769	71%	0.707	S	S	*	*			trans	-69	95.6	162	-71.3	0	0	0	0	109.3	F73 R77	F73-S75 VanDerWaalsContact C-N 3.28Å; F73-S75 PolarHBondContact O-N 3.39Å; S75-R77 PolarHBondContact O-N 2.97Å
76	S	32.8	Very low	33.2	Very low	87 Å²	87	151.9 Å²	151.9	61%	0.608	75%	0.745	S	S	*	*			trans	-63.6	116.2	-175.4	52.1	0	0	0	0	112	R74 F78	R74-S76 PolarHBondContact O-N 3.17Å; S76-F78 VanDerWaalsContact C-N 3.31Å; S76-F78 PolarHBondContact O-N 3.33Å
77	R	30.3	Very low	33.1	Very low	230 Å²	230	155.4 Å²	155.4	87%	0.868	77%	0.767	S	S	*	*			trans	-67.3	88.1	164.1	-73.5	-178.4	175.6	171.9	-1.6	109.8	S75 K79	S75-R77 PolarHBondContact O-N 2.97Å; R77-K79 PolarHBondContact O-N 3.43Å
78	F	31.2	Very low	32.8	Very low	189 Å²	189	158.5 Å²	158.5	83%	0.829	78%	0.779	S	S	*	*			trans	-69.2	79.7	163.2	-99.8	-79.9	0	0	0	109.7	S76 Q80	S76-F78 VanDerWaalsContact C-N 3.31Å; S76-F78 PolarHBondContact O-N 3.33Å; F78-Q80 PolarHBondContact O-N 3Å
79	K	35.2	Very low	32.8	Very low	173 Å²	173	160.6 Å²	160.6	75%	0.752	79%	0.788	S	S	*	*			trans	-75.8	105.9	158.6	-79.8	-165.6	172.9	-170.8	0	107.7	R77 K81	R77-K79 PolarHBondContact O-N 3.43Å; K79-K81 PolarHBondContact O-N 3.09Å
80	Q	31.5	Very low	32.8	Very low	195 Å²	195	161.1 Å²	161.1	91%	0.911	79%	0.788	S	S	*	*			trans	-59.7	108.4	154.6	-78.4	179.7	-25	0	0	107.8	F78	F78-Q80 PolarHBondContact O-N 3Å
81	K	34.8	Very low	32.9	Very low	191 Å²	191	161.1 Å²	161.1	83%	0.83	79%	0.789	S	S	*	*			trans	-111.1	128.3	151.8	-99.6	-162.7	168.6	-166	0	107.1	K79	K79-K81 PolarHBondContact O-N 3.09Å
82	S	33.3	Very low	33	Very low	112 Å²	112	163.5 Å²	163.5	78%	0.783	80%	0.796	S	S	*	*			trans	-61.2	132.2	177.7	36.2	0	0	0	0	111
83	I	29.8	Very low	32.9	Very low	156 Å²	156	168.5 Å²	168.5	80%	0.8	80%	0.801	S	S	*	*			trans	-112.9	95.9	160.3	-59.8	177.4	0	0	0	106.5
84	L	32.2	Very low	32.9	Very low	156 Å²	156	167.6 Å²	167.6	82%	0.817	80%	0.803	S	S	*	*			trans	-81.8	114.4	146.7	-95.2	67.3	0	0	0	104.8
85	K	32	Very low	33.1	Very low	187 Å²	187	160.8 Å²	160.8	81%	0.813	79%	0.791	S	S	*	*				63.6	85.5	76	-73.3	-168.9	173.1	-177.8	0	112.6
86	E	35.3	Very low	33.1	Very low	193 Å²	193	161.8 Å²	161.8	90%	0.902	79%	0.788	S	S	*	*			trans	-111.1	147.8	138.7	-70.9	-163.8	136.2	0	0	109
87	P	37.3	Very low	33	Very low	108 Å²	108	164.1 Å²	164.1	70%	0.701	79%	0.793	S	S	*	*			trans	-112.2	144.7	-168.7	38.8	-31.2	0	0	0	116.1
88	N	31.4	Very low	33.2	Very low	146 Å²	146	161.3 Å²	161.3	78%	0.781	79%	0.789	S	S	*	*			trans	51.5	114.7	139.6	-57.2	-24.5	0	0	0	120.5
89	K	34.9	Very low	33.3	Very low	193 Å²	193	157.1 Å²	157.1	84%	0.839	78%	0.784	S	S	*	*				178.9	142.3	101.1	-99.4	160	-175.6	170.3	0	115.3
90	R	33	Very low	33.2	Very low	238 Å²	238	154.2 Å²	154.2	90%	0.898	79%	0.785	S	S	*	*			trans	61	150.5	157.1	-65.8	174.8	172	173.3	-4.3	117.8
91	S	33.1	Very low	33.4	Very low	96 Å²	96	152.5 Å²	152.5	67%	0.671	78%	0.781	S	S	*	*			cis	159.3	131.3	-29.7	172.5	0	0	0	0	107
92	N	36.7	Very low	33.4	Very low	134 Å²	134	148.4 Å²	148.4	72%	0.717	78%	0.776	S	S	*	*			trans	131.1	123.2	159.7	-65	-6.6	0	0	0	109.9
93	R	31.5	Very low	33.7	Very low	232 Å²	232	147.4 Å²	147.4	88%	0.875	77%	0.769	S	S	*	*				66.5	128.7	60.2	-70.3	-174.9	170.6	-175.3	-2.1	110.4
94	I	33.6	Very low	33.9	Very low	159 Å²	159	148.4 Å²	148.4	82%	0.815	77%	0.771	S	S	*	*			cis	-135.4	176.4	21.2	-64.8	-179.2	0	0	0	111.3
95	S	31.3	Very low	34.1	Very low	91 Å²	91	146.7 Å²	146.7	64%	0.636	77%	0.767	S	S	*	*			trans	-97.3	-169.9	-176.7	57.8	0	0	0	0	115.5
96	N	33.4	Very low	34.3	Very low	132 Å²	132	142.6 Å²	142.6	71%	0.706	76%	0.761	S	S	*	*			trans	94.8	152.9	165	-51.5	-7.5	0	0	0	115.6
97	L	31.6	Very low	34.2	Very low	136 Å²	136	137.8 Å²	137.8	71%	0.712	75%	0.749	S	S	*	*			cis	-170	171.5	-23.8	-107.7	170	0	0	0	107.8
98	H	35.1	Very low	34.1	Very low	170 Å²	170	139 Å²	139	79%	0.787	75%	0.749	S	S	*	*			trans	64.6	158.4	168.7	-72.2	-83.1	0	0	0	116.7
99	S	32.7	Very low	34.2	Very low	102 Å²	102	140 Å²	140	71%	0.713	75%	0.749	S	S	*	*			cis	-160.4	160.5	-20.4	44.2	0	0	0	0	111.1
100	S	32.8	Very low	34.1	Very low	112 Å²	112	135 Å²	135	78%	0.783	74%	0.738	S	S	*	*			trans	-69.4	155	176.4	-27	0	0	0	0	114.1
101	I	36.5	Very low	34	Very low	158 Å²	158	131 Å²	131	81%	0.81	73%	0.734	S	S	*	*			trans	-164.5	132.3	147.2	-103.3	151.2	0	0	0	109.7
102	S	35.1	Very low	34.2	Very low	106 Å²	106	133.3 Å²	133.3	74%	0.741	74%	0.739	S	S	*	*			trans	29.2	166.9	149.9	95.6	0	0	0	0	122.4
103	S	37.7	Very low	34	Very low	91 Å²	91	131.5 Å²	131.5	64%	0.636	74%	0.737	S	S	*	*			cis	-161.5	158.5	-8.4	19	0	0	0	0	109.7
104	E	34.3	Very low	34	Very low	177 Å²	177	128.4 Å²	128.4	83%	0.827	74%	0.737	S	S	*	*			trans	14.3	142.4	131.3	-42.9	173.7	168.9	0	0	118.1
105	T	38.1	Very low	34	Very low	120 Å²	120	126.7 Å²	126.7	74%	0.736	74%	0.739	S	S	*	*			cis	-154.6	169.2	41.1	55.8	0	0	0	0	115.4
106	S	34.6	Very low	34.1	Very low	100 Å²	100	127 Å²	127	70%	0.699	74%	0.741	S	S	*	*			trans	-9.8	161.5	146.7	64.4	0	0	0	0	121.2
107	S	33.7	Very low	34.2	Very low	92 Å²	92	126 Å²	126	64%	0.643	74%	0.74	S	S	*	*			cis	171.6	176.6	-12.6	56.5	0	0	0	0	110.3
108	L	34.5	Very low	34.2	Very low	133 Å²	133	126.2 Å²	126.2	70%	0.696	74%	0.742	S	S	*	*			trans	73.1	125.5	161.3	-58.6	170.2	0	0	0	114.9
109	E	34.4	Very low	34.3	Very low	168 Å²	168	125.5 Å²	125.5	79%	0.785	74%	0.743	S	S	*	*				72.6	147.6	86.2	-67.3	178.2	176.2	0	0	115.1
110	S	32.5	Very low	34.3	Very low	88 Å²	88	128 Å²	128	62%	0.615	75%	0.747	S	S	*	*			cis	-170	173.7	-23	60.9	0	0	0	0	110.8
111	L	31.9	Very low	34.6	Very low	154 Å²	154	127.7 Å²	127.7	81%	0.806	74%	0.743	S	S	*	*			trans	72.4	174.3	159.3	-63.9	173.1	0	0	0	119.6
112	D	36.4	Very low	34.4	Very low	144 Å²	144	124.9 Å²	124.9	77%	0.77	74%	0.737	S	S	*	*			trans	58.8	106.6	172.8	-56.6	-21.1	0	0	0	118.2
113	S	31.6	Very low	34.4	Very low	97 Å²	97	126.5 Å²	126.5	68%	0.678	74%	0.742	S	S	*	*			cis	106.8	133.3	20.9	91.9	0	0	0	0	114.9
114	L	32.9	Very low	34.1	Very low	166 Å²	166	128.8 Å²	128.8	87%	0.869	74%	0.743	S	S	*	*			trans	58.7	113.3	165.4	-53.8	176.1	0	0	0	119.7
115	S	32.6	Very low	34.1	Very low	123 Å²	123	126.9 Å²	126.9	86%	0.86	74%	0.736	S	S	*	*				167.8	149	106	-171.7	0	0	0	0	113
116	S	34.6	Very low	34	Very low	98 Å²	98	127.6 Å²	127.6	69%	0.685	73%	0.728	S	S	*	*			trans	-76.6	-179.4	163.8	-42.5	0	0	0	0	110.8
117	T	34	Very low	34.2	Very low	112 Å²	112	130.2 Å²	130.2	69%	0.687	73%	0.727	S	S	*	*			cis	-164.7	158.1	24.2	-11	0	0	0	0	112.2
118	D	32.9	Very low	34.4	Very low	139 Å²	139	133.3 Å²	133.3	74%	0.743	73%	0.731	S	S	*	*			trans	70.4	150.4	140	-66.4	-14	0	0	0	126.5
119	L	36	Very low	34.6	Very low	156 Å²	156	131.6 Å²	131.6	82%	0.817	73%	0.731	S	S	*	*			trans	78.9	88.1	155.7	-69.6	158.6	0	0	0	122.5
120	L	33	Very low	34.6	Very low	153 Å²	153	132.7 Å²	132.7	80%	0.801	73%	0.733	S	S	*	*				13.3	159.8	115.5	-61.7	172.6	0	0	0	120.6
121	P	39.3	Very low	35	Very low	106 Å²	106	138.2 Å²	138.2	69%	0.688	75%	0.746	S	S	*	*			cis	-143.8	-168.8	-34.5	38.2	-18.2	0	0	0	114.4
122	S	31.7	Very low	35	Very low	99 Å²	99	137.5 Å²	137.5	69%	0.692	74%	0.742	S	S	*	*			trans	110.2	135.2	147.9	-48.4	0	0	0	0	120.6
123	V	35.5	Very low	34.8	Very low	140 Å²	140	137.8 Å²	137.8	85%	0.848	74%	0.742	S	S	*	*			trans	56.3	131.1	130.3	172.1	0	0	0	0	118.7
124	E	32.4	Very low	34.9	Very low	139 Å²	139	141.6 Å²	141.6	65%	0.65	75%	0.746	S	S	*	*			cis	-156.7	168.1	6	-132.5	-132.2	165.9	0	0	104.5	K126	E124-K126 IonicContact OE1-NZ 2.75Å; E124-K126 PolarHBondContact OE1-NZ 3.4Å; E124-K126 IonicContact OE2-NZ 3.21Å; E124-K126 PolarHBondContact OE2-NZ 2.89Å
125	M	33	Very low	35.1	Very low	138 Å²	138	140.7 Å²	140.7	68%	0.68	74%	0.737	S	S	*	*			cis	178.1	-177.4	-13.5	-134.7	-67	-162.5	0	0	107.9
126	K	36.4	Very low	35	Very low	134 Å²	134	140.6 Å²	140.6	58%	0.583	73%	0.728	S	S	*	*			trans	67.5	142.9	154.4	-67.2	149.5	-167.1	142.7	0	115.9	E124	E124-K126 IonicContact OE1-NZ 2.75Å; E124-K126 PolarHBondContact OE1-NZ 3.4Å; E124-K126 IonicContact OE2-NZ 3.21Å; E124-K126 PolarHBondContact OE2-NZ 2.89Å
127	K	38.7	Very low	34.9	Very low	155 Å²	155	142.6 Å²	142.6	67%	0.674	73%	0.73	S	S	*	*			cis	-166.2	153.9	2.1	-125.3	169.4	170.4	-168.4	0	112.4
128	H	37.6	Very low	35	Very low	157 Å²	157	146.6 Å²	146.6	73%	0.727	74%	0.741	S	S	*	*			trans	70.5	146.6	155.5	-59.9	-41.9	0	0	0	119.2
129	S	38.2	Very low	35.1	Very low	98 Å²	98	148.9 Å²	148.9	69%	0.685	75%	0.745	S	S	*	*			cis	-163.3	138.6	-10	42.3	0	0	0	0	116.4
130	K	36	Very low	34.9	Very low	191 Å²	191	149 Å²	149	83%	0.83	75%	0.746	S	S	*	*			trans	52.7	106.5	140.1	-62.9	-179	177.1	-178.8	0	122.2
131	K	39.5	Very low	34.9	Very low	204 Å²	204	151 Å²	151	89%	0.887	74%	0.743	S	S	*	*				-164.2	94.7	122.3	-106.6	173.3	-179	178.4	0	108.9
132	L	32	Very low	34.6	Very low	139 Å²	139	153 Å²	153	73%	0.728	75%	0.746	S	S	*	*				52.8	103.7	107.2	-93	63.4	0	0	0	113.5
133	I	32.7	Very low	34.6	Very low	150 Å²	150	156 Å²	156	77%	0.769	75%	0.754	S	S	*	*				70.9	120.7	80.2	-71.1	169.1	0	0	0	110.6
134	K	34.8	Very low	34.3	Very low	176 Å²	176	156.5 Å²	156.5	77%	0.765	75%	0.747	S	S	*	*			cis	-146.3	174.1	3.5	-125	-179.1	155.5	-157.9	0	107.3
135	Q	35.6	Very low	34.3	Very low	147 Å²	147	158.1 Å²	158.1	69%	0.687	75%	0.754	S	S	*	*			cis	-144.5	151.4	14.6	-126.8	-169.1	-113	0	0	113.6
136	N	31	Very low	34.3	Very low	122 Å²	122	163.1 Å²	163.1	65%	0.652	77%	0.766	S	S	*	*			trans	-102.4	-174.3	147.5	-62.2	-11.9	0	0	0	107.1
137	D	32.4	Very low	33.9	Very low	139 Å²	139	167.2 Å²	167.2	74%	0.743	78%	0.777	S	S	*	*			cis	-151.3	135.6	18.8	-55.9	-90.1	0	0	0	108.7
138	E	36.1	Very low	33.4	Very low	197 Å²	197	166.9 Å²	166.9	92%	0.921	78%	0.783	S	S	*	*			trans	-153.1	49.6	163.3	-161.6	147.2	-140.7	0	0	112.2
139	K	34.7	Very low	33.1	Very low	187 Å²	187	167.7 Å²	167.7	81%	0.813	79%	0.793	S	S	*	*	S	Bend	trans	-132.4	160.7	155.4	-70.3	-170.6	177	-176.9	0	107.2
140	D	32.5	Very low	32.7	Very low	157 Å²	157	167.9 Å²	167.9	84%	0.84	79%	0.794	S	S	*	*			trans	66.9	56.5	179.7	-50.6	-24	0	0	0	115.5
141	R	33.5	Very low	32.4	Very low	197 Å²	197	169.1 Å²	169.1	74%	0.743	80%	0.795	S	S	*	*			trans	-117.6	64.5	152.8	-141.6	177.6	-170.8	-114.4	-4.4	111.1	E145	R141-E145 IonicContact CZ-OE1 2.69Å; R141-E145 IonicContact NH1-OE1 2.83Å; R141-E145 PolarHBondContact NH1-OE1 2.82Å
142	I	31.9	Very low	32.1	Very low	146 Å²	146	168 Å²	168	75%	0.749	79%	0.793	S	S	*	*			trans	-114	137.6	169.1	-66.7	175.1	0	0	0	106.6
143	L	32.2	Very low	31.9	Very low	163 Å²	163	168.9 Å²	168.9	85%	0.853	80%	0.797	S	S	*	*	S	Bend	trans	63.7	81.7	-166.5	-81	73.2	0	0	0	115.3
144	E	30.4	Very low	31.8	Very low	151 Å²	151	167.2 Å²	167.2	71%	0.706	80%	0.795	S	S	*	*	S	Bend	trans	-159.9	-20.1	130.5	-121.1	180	-173.2	0	0	112.9	R146	E144-R146 PolarHBondContact O-N 2.59Å
145	E	31.6	Very low	31.6	Very low	172 Å²	172	167.9 Å²	167.9	80%	0.804	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-25.7	-23.4	163.9	-63.4	156.4	-138	0	0	121.3	R141	R141-E145 IonicContact CZ-OE1 2.69Å; R141-E145 IonicContact NH1-OE1 2.83Å; R141-E145 PolarHBondContact NH1-OE1 2.82Å
146	R	32	Very low	31.4	Very low	244 Å²	244	166 Å²	166	92%	0.921	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.2	8.7	-150.5	-135.4	171.7	-171.8	156.6	2.9	115	E144	E144-R146 PolarHBondContact O-N 2.59Å
147	R	28	Very low	31.4	Very low	219 Å²	219	166.9 Å²	166.9	83%	0.826	80%	0.804	S	S	*	*	S	Bend	trans	-147.4	98.8	168.4	-76.7	-176.8	173.3	139.4	-3.6	108.4
148	N	29.7	Very low	31.5	Very low	148 Å²	148	168.7 Å²	168.7	79%	0.791	81%	0.813	S	S	*	*			trans	163.9	64.1	154.1	-83.6	-19	0	0	0	111.2
149	N	31.2	Very low	31.2	Very low	174 Å²	174	164.8 Å²	164.8	93%	0.93	81%	0.807	S	S	*	*			trans	-149.5	70.9	159.6	-104.6	-22.9	0	0	0	107.6
150	S	28.3	Very low	31.1	Very low	102 Å²	102	159.6 Å²	159.6	71%	0.713	81%	0.807	S	S	*	*			trans	-161.7	76.6	-172.4	169.5	0	0	0	0	111.2
151	Y	29.8	Very low	31.1	Very low	218 Å²	218	158.4 Å²	158.4	86%	0.855	80%	0.801	S	S	*	*			trans	-144.9	148.3	165	-84.2	-68.3	0	0	0	111.2
152	Q	34.1	Very low	31	Very low	181 Å²	181	154.7 Å²	154.7	85%	0.846	80%	0.796	S	S	*	*			trans	70.2	103.7	-173.5	-45.7	-171.2	23.9	0	0	112.4
153	L	27.7	Very low	31	Very low	156 Å²	156	153.5 Å²	153.5	82%	0.817	79%	0.791	S	S	*	*				59.9	134	63.8	-79	67.7	0	0	0	112.3
154	T	31.3	Very low	31	Very low	116 Å²	116	151.6 Å²	151.6	71%	0.712	78%	0.781	S	S	*	*			cis	-152.2	156.3	23.1	-13.3	0	0	0	0	114.2
155	K	30.1	Very low	30.9	Very low	189 Å²	189	150.2 Å²	150.2	82%	0.822	78%	0.779	S	S	*	*			trans	7.2	152	139.9	-70.8	177.4	176.1	179.8	0	119.8
156	C	31.6	Very low	30.8	Very low	107 Å²	107	148.6 Å²	148.6	72%	0.723	77%	0.771	S	S	*	*			cis	-157.7	174.2	25.3	-132.3	0	0	0	0	115.2
157	N	30.3	Very low	30.7	Very low	141 Å²	141	142.4 Å²	142.4	75%	0.754	76%	0.756	S	S	*	*			trans	-60.9	168.4	178.8	-42	-23.4	0	0	0	113.7
158	L	33.8	Very low	30.7	Very low	178 Å²	178	137.9 Å²	137.9	93%	0.932	75%	0.749	S	S	*	*				-154.6	179.1	68.1	-111.3	102	0	0	0	115.5
159	S	31.3	Very low	30.8	Very low	114 Å²	114	137.3 Å²	137.3	80%	0.797	75%	0.746	S	S	*	*			trans	-121.8	152.4	-167	136.7	0	0	0	0	113.1
160	G	32.5	Very low	30.7	Very low	79 Å²	79	135.2 Å²	135.2	81%	0.814	73%	0.733	S	S	*	*			trans	-159.2	122.4	163.8	0	0	0	0	0	110.1
161	N	31.8	Very low	30.7	Very low	132 Å²	132	137.4 Å²	137.4	71%	0.706	74%	0.737	S	S	*	*			trans	-127.5	168.2	-161.8	-161.7	20.3	0	0	0	113.2
162	N	32.2	Very low	30.7	Very low	119 Å²	119	131.7 Å²	131.7	64%	0.636	73%	0.729	S	S	*	*			trans	87.4	144.2	163.9	-52.1	-31.9	0	0	0	117.9
163	N	32.4	Very low	30.5	Very low	121 Å²	121	130.4 Å²	130.4	65%	0.647	72%	0.723	S	S	*	*			cis	-169.6	164.4	-19.7	-109.7	-9.8	0	0	0	112.9
164	N	30.9	Very low	30.6	Very low	123 Å²	123	130.9 Å²	130.9	66%	0.658	72%	0.721	S	S	*	*			trans	75.7	123.2	150.4	-66.3	3.5	0	0	0	122.3
165	N	28.8	Very low	30.5	Very low	122 Å²	122	130 Å²	130	65%	0.652	72%	0.719	S	S	*	*			trans	67.7	147.8	132.3	-59	33.7	0	0	0	118.9
166	E	29	Very low	30.4	Very low	137 Å²	137	128.2 Å²	128.2	64%	0.64	72%	0.718	S	S	*	*			cis	-163.8	146	-7.1	-122.4	176.5	-113.5	0	0	110.1
167	N	29.2	Very low	30.2	Very low	114 Å²	114	129 Å²	129	61%	0.61	72%	0.715	S	S	*	*			trans	58.8	171.1	156.3	-53.7	-35.7	0	0	0	117.6
168	N	29.1	Very low	30.1	Very low	124 Å²	124	128.2 Å²	128.2	66%	0.663	71%	0.708	S	S	*	*			cis	-154.3	175.3	-44.6	-97.6	-20.6	0	0	0	107.7
169	D	30.7	Very low	30.1	Very low	137 Å²	137	128.2 Å²	128.2	73%	0.733	70%	0.697	S	S	*	*			trans	68.8	159.1	157.2	-58.8	-23.3	0	0	0	119.2
170	I	29.6	Very low	30.2	Very low	129 Å²	129	130.8 Å²	130.8	66%	0.662	70%	0.696	S	S	*	*				-167.5	131	-50.1	-115	168.4	0	0	0	107.5
171	N	29.1	Very low	30.1	Very low	148 Å²	148	129.7 Å²	129.7	79%	0.791	69%	0.686	S	S	*	*			trans	54.7	-178.1	166.9	-57	-20.9	0	0	0	115.5
172	S	28.7	Very low	30.2	Very low	98 Å²	98	134 Å²	134	69%	0.685	69%	0.692	S	S	*	*			cis	-142.6	139.3	2	-44.7	0	0	0	0	112.7
173	Q	30.3	Very low	30.5	Very low	155 Å²	155	136.1 Å²	136.1	72%	0.724	70%	0.698	S	S	*	*			trans	28.9	136.8	132.9	-64	178.9	-51.7	0	0	122.7
174	Q	30.2	Very low	30.6	Very low	165 Å²	165	136.3 Å²	136.3	77%	0.771	70%	0.698	S	S	*	*			trans	73.1	150	136.1	-72.3	164.9	-4.2	0	0	118.1
175	S	29	Very low	30.7	Very low	97 Å²	97	136.7 Å²	136.7	68%	0.678	70%	0.7	S	S	*	*			cis	-163.5	162.7	-5.3	40.9	0	0	0	0	111.4
176	L	27.3	Very low	31.1	Very low	152 Å²	152	136.2 Å²	136.2	80%	0.796	70%	0.697	S	S	*	*			trans	27.7	145.4	139.4	-55.9	170.5	0	0	0	119.3
177	N	28.6	Very low	31.3	Very low	124 Å²	124	138.8 Å²	138.8	66%	0.663	70%	0.701	S	S	*	*			cis	-179.1	165.9	39.5	-145.8	4.9	0	0	0	114
178	M	28.3	Very low	31.6	Very low	125 Å²	125	140.6 Å²	140.6	62%	0.616	71%	0.71	S	S	*	*			trans	64.1	169.3	162	-45.7	-58	-77.1	0	0	118.6
179	Y	33.5	Very low	31.7	Very low	177 Å²	177	139.5 Å²	139.5	69%	0.694	71%	0.712	S	S	*	*			cis	-148.1	164.4	7.5	-123.5	-64.5	0	0	0	112.2
180	E	32.4	Very low	32	Very low	168 Å²	168	136.4 Å²	136.4	79%	0.785	71%	0.713	S	S	*	*			trans	-18.9	167.3	169.9	-70	160	-176.8	0	0	122.6
181	G	31.3	Very low	32.1	Very low	57 Å²	57	139.9 Å²	139.9	59%	0.588	72%	0.723	S	S	*	*			cis	138.3	130.9	-2	0	0	0	0	0	115.8
182	R	34.2	Very low	32.3	Very low	222 Å²	222	143.5 Å²	143.5	84%	0.838	73%	0.726	S	S	*	*			trans	170.1	131	160.1	-101.1	164.8	-83.2	-155.2	-3.2	111.6
183	Q	37	Very low	32.4	Very low	163 Å²	163	143.8 Å²	143.8	76%	0.762	72%	0.723	S	S	*	*				70.8	142	84.4	-71	-172.5	-16.8	0	0	115.4
184	I	34.8	Very low	32.6	Very low	125 Å²	125	142 Å²	142	64%	0.641	72%	0.719	S	S	*	*			cis	-164.3	153.7	-5.1	-119.8	166.3	0	0	0	110.8
185	D	34.1	Very low	32.5	Very low	132 Å²	132	144.5 Å²	144.5	71%	0.706	72%	0.721	S	S	*	*			trans	38.5	163.7	156.3	-49.8	-16.6	0	0	0	121.9
186	D	36.1	Very low	32.6	Very low	111 Å²	111	145.2 Å²	145.2	59%	0.594	73%	0.726	S	S	*	*			cis	-165.5	151.9	29.4	-153	5.2	0	0	0	116.1
187	R	33	Very low	32.7	Very low	192 Å²	192	142.3 Å²	142.3	73%	0.725	72%	0.719	S	S	*	*			trans	50.1	133.5	146	-89.3	173.5	-110.3	-123.8	-12.5	128.5
188	L	35.6	Very low	32.8	Very low	151 Å²	151	143.1 Å²	143.1	79%	0.791	72%	0.723	S	S	*	*			trans	72.2	154.9	137.4	-60.4	164.7	0	0	0	121.7
189	S	32.6	Very low	32.7	Very low	101 Å²	101	141.8 Å²	141.8	71%	0.706	73%	0.726	S	S	*	*			cis	-171.1	142.2	-34	63.4	0	0	0	0	114.3
190	G	35.4	Very low	32.5	Very low	73 Å²	73	141.3 Å²	141.3	75%	0.753	73%	0.733	S	S	*	*			trans	82.2	170.1	154.9	0	0	0	0	0	118
191	K	32.9	Very low	32.4	Very low	201 Å²	201	136.4 Å²	136.4	87%	0.874	73%	0.728	S	S	*	*			cis	-169	159.5	-13.6	-137.4	172.2	-172.6	170.8	0	110.5
192	R	33.2	Very low	32.3	Very low	225 Å²	225	139.4 Å²	139.4	85%	0.849	74%	0.735	S	S	*	*			trans	72.3	162.7	167.3	-67.8	178.6	175.5	163.5	-2.6	117.9
193	T	31.5	Very low	32	Very low	104 Å²	104	135.3 Å²	135.3	64%	0.638	73%	0.73	S	S	*	*				-171.7	175	-54.9	37.5	0	0	0	0	108.4
194	D	33.9	Very low	31.6	Very low	118 Å²	118	132.5 Å²	132.5	63%	0.631	72%	0.72	S	S	*	*			trans	75.2	150.5	157.6	-60.6	-62.8	0	0	0	117.6
195	R	28.8	Very low	31.3	Very low	217 Å²	217	134.4 Å²	134.4	82%	0.819	72%	0.724	S	S	*	*			cis	-170.7	173.4	-30.8	-121.5	177.7	-176.1	169.7	-1.1	108.6
196	S	29.9	Very low	31	Very low	111 Å²	111	133.8 Å²	133.8	78%	0.776	72%	0.72	S	S	*	*			trans	61.6	159.3	162.8	42	0	0	0	0	118.2
197	S	29	Very low	30.9	Very low	92 Å²	92	135.8 Å²	135.8	64%	0.643	73%	0.726	S	S	*	*			cis	166.4	174.9	-39.5	58.5	0	0	0	0	107.3
198	N	30.8	Very low	30.7	Very low	140 Å²	140	133.4 Å²	133.4	75%	0.749	72%	0.723	S	S	*	*			trans	80.5	124.9	176.4	-40.4	-12	0	0	0	112.7
199	S	27.8	Very low	30.5	Very low	98 Å²	98	133.2 Å²	133.2	69%	0.685	72%	0.722	S	S	*	*			cis	96.6	150.2	22.3	85.1	0	0	0	0	115.9
200	I	28.3	Very low	30.7	Very low	166 Å²	166	134.2 Å²	134.2	85%	0.851	73%	0.727	S	S	*	*			trans	86.5	141.8	171.2	-53.7	155.2	0	0	0	116.4
201	G	30.9	Very low	30.6	Very low	66 Å²	66	134.3 Å²	134.3	68%	0.68	73%	0.728	S	S	*	*			trans	106.4	82.9	172.8	0	0	0	0	0	114.8
202	V	28.9	Very low	30.8	Very low	120 Å²	120	129 Å²	129	73%	0.727	72%	0.721	S	S	*	*			cis	77.7	123.6	39.4	179.2	0	0	0	0	114.2
203	N	28	Very low	30.7	Very low	136 Å²	136	127.3 Å²	127.3	73%	0.727	72%	0.72	S	S	*	*			trans	70.5	152.3	165.1	-72.3	-14.5	0	0	0	117.5
204	N	28.3	Very low	30.8	Very low	104 Å²	104	128.9 Å²	128.9	56%	0.556	73%	0.725	S	S	*	*			cis	-170	151.9	-16.6	-121	-34.5	0	0	0	110.4
205	K	29.5	Very low	30.7	Very low	165 Å²	165	131.3 Å²	131.3	72%	0.717	73%	0.73	S	S	*	*			trans	64.6	165.8	147.3	-64.3	169.9	-172.5	178.5	0	116.9
206	N	27.4	Very low	30.9	Very low	118 Å²	118	128.6 Å²	128.6	63%	0.631	73%	0.73	S	S	*	*			cis	-158.6	-177.8	-22.2	-108.2	10.6	0	0	0	109.6
207	H	33.8	Very low	30.9	Very low	154 Å²	154	129 Å²	129	71%	0.713	72%	0.722	S	S	*	*			trans	91.2	125.3	173	-55.1	-62.8	0	0	0	115.4
208	E	28.4	Very low	31.1	Very low	141 Å²	141	132 Å²	132	66%	0.659	73%	0.73	S	S	*	*			cis	76.2	138.8	38.7	-57.8	168.4	167.4	0	0	112.3
209	N	31.3	Very low	31	Very low	147 Å²	147	131.8 Å²	131.8	79%	0.786	73%	0.729	S	S	*	*			cis	-146.7	175	14.4	-112.3	-30.8	0	0	0	112.6
210	P	37.7	Very low	31.3	Very low	122 Å²	122	133.7 Å²	133.7	79%	0.792	73%	0.731	S	S	*	*			trans	-117.5	178.6	-164.1	44	-37.5	0	0	0	117.1
211	G	32.7	Very low	31.6	Very low	75 Å²	75	131.6 Å²	131.6	77%	0.773	73%	0.728	S	S	*	*			trans	169.3	152.4	165.4	0	0	0	0	0	111.1
212	A	36.6	Very low	31.8	Very low	89 Å²	89	135 Å²	135	74%	0.736	73%	0.729	S	S	*	*			cis	-157	151	5.6	0	0	0	0	0	112.8
213	F	30.8	Very low	31.7	Very low	191 Å²	191	136.9 Å²	136.9	84%	0.838	74%	0.735	S	S	*	*			trans	15.1	147.7	144.6	-60.5	-81.3	0	0	0	121.6
214	N	35	Very low	31.9	Very low	136 Å²	136	142 Å²	142	73%	0.727	74%	0.744	S	S	*	*			cis	-147.2	152.3	8.7	-83.4	-55	0	0	0	108
215	K	30.8	Very low	31.9	Very low	170 Å²	170	144.4 Å²	144.4	74%	0.739	76%	0.755	S	S	*	*			cis	81.1	103.7	30.7	-147.1	-179.1	-167.5	-179.9	0	116.2	I217	K215-I217 HydrophobicContact CG-CD1 4.33Å; K215-I217 HydrophobicContact CG-CG1 4.46Å
216	I	33.4	Very low	32	Very low	159 Å²	159	145.6 Å²	145.6	82%	0.815	76%	0.76	S	S	*	*			trans	-173.7	101.6	150.6	-90.2	146.3	0	0	0	104.4
217	I	28.8	Very low	32.1	Very low	119 Å²	119	147 Å²	147	61%	0.61	76%	0.761	S	S	*	*				66.7	93.1	67.9	-50.9	162.1	0	0	0	111	K215	K215-I217 HydrophobicContact CG-CD1 4.33Å; K215-I217 HydrophobicContact CG-CG1 4.46Å
218	L	33.1	Very low	32	Very low	155 Å²	155	145.9 Å²	145.9	81%	0.812	76%	0.76	S	S	*	*				177.1	156.7	105.6	-81.9	177.8	0	0	0	107.8
219	N	30.2	Very low	32.3	Very low	137 Å²	137	147.6 Å²	147.6	73%	0.733	77%	0.768	S	S	*	*			cis	-166.5	177.8	-26.5	-162.5	-0.4	0	0	0	108.5
220	L	33.4	Very low	32.2	Very low	137 Å²	137	148.5 Å²	148.5	72%	0.717	77%	0.772	S	S	*	*			trans	-131.4	152.1	171	-69.8	95.4	0	0	0	112.8
221	P	35.3	Very low	31.9	Very low	122 Å²	122	148 Å²	148	79%	0.792	77%	0.77	S	S	*	*			trans	-107.2	100.3	144.3	32.3	-21	0	0	0	109
222	I	33.7	Very low	31.6	Very low	139 Å²	139	150.2 Å²	150.2	71%	0.713	77%	0.769	S	S	*	*				64.8	105.1	83.8	-61.9	171	0	0	0	112.5
223	N	27.7	Very low	31.5	Very low	158 Å²	158	152.1 Å²	152.1	85%	0.845	77%	0.772	S	S	*	*			trans	-60.1	139.2	164.2	-75.2	-42.7	0	0	0	110.6
224	R	31.4	Very low	31.3	Very low	243 Å²	243	152.1 Å²	152.1	92%	0.917	77%	0.774	S	S	*	*			trans	-136.5	108.7	161.5	-120.1	177.1	-177.2	169.1	2.2	111.7
225	I	29.1	Very low	31.2	Very low	155 Å²	155	151.2 Å²	151.2	80%	0.795	78%	0.778	S	S	*	*			trans	-72.6	129.9	174.5	-62.2	165.2	0	0	0	108.8
226	K	32.3	Very low	31.2	Very low	190 Å²	190	146.9 Å²	146.9	83%	0.826	77%	0.774	S	S	*	*			trans	-135.8	117.6	147.5	-78.4	-160.2	170.5	-163.6	0	108.9
227	K	28.4	Very low	30.9	Very low	149 Å²	149	145.5 Å²	145.5	65%	0.648	78%	0.776	S	S	*	*			trans	-70.9	143.9	151.9	-66.8	-178.3	178.3	-177.3	0	106.8	H396	K227-H396 PolarHBondContact NZ-NE2 2.92Å
228	D	33	Very low	31	Very low	130 Å²	130	144.9 Å²	144.9	70%	0.695	78%	0.78	S	S	*	*			trans	-168.8	158.2	146.4	-94.7	-37.6	0	0	0	111.1
229	H	34.7	Very low	31	Very low	176 Å²	176	142.3 Å²	142.3	82%	0.815	78%	0.776	S	S	*	*			trans	60.2	78.9	166.8	-53.1	-43.8	0	0	0	119.9
230	L	29	Very low	30.9	Very low	166 Å²	166	140.9 Å²	140.9	87%	0.869	77%	0.774	S	S	*	*			trans	-68.2	126.1	148.6	177	86	0	0	0	111.1
231	C	30	Very low	30.6	Very low	112 Å²	112	140.7 Å²	140.7	76%	0.757	77%	0.772	S	S	*	*			trans	-176.7	108.5	153.6	-96.1	0	0	0	0	109.7
232	T	27.9	Very low	30.3	Very low	121 Å²	121	143.7 Å²	143.7	74%	0.742	77%	0.773	S	S	*	*				66.8	79.2	87.8	63.3	0	0	0	0	117
233	T	33.3	Very low	30	Very low	130 Å²	130	142.7 Å²	142.7	80%	0.798	77%	0.773	S	S	*	*			trans	-137.2	124.4	142.1	46.1	0	0	0	0	106.3
234	Q	27.7	Very low	30.2	Very low	191 Å²	191	143.8 Å²	143.8	89%	0.893	77%	0.77	S	S	*	*				57.6	80.4	61.9	-68.6	-164.9	-5.6	0	0	114.1
235	S	31.8	Very low	30	Very low	117 Å²	117	140.4 Å²	140.4	82%	0.818	76%	0.762	S	S	*	*			trans	-168.4	151.4	144.1	55	0	0	0	0	112.4
236	A	31.8	Very low	30	Very low	78 Å²	78	141.1 Å²	141.1	65%	0.645	76%	0.762	S	S	*	*			trans	60.7	79.5	161.9	0	0	0	0	0	120.3	C238	A236-C238 PolarHBondContact O-N 3.47Å
237	P	26	Very low	29.9	Very low	131 Å²	131	139.2 Å²	139.2	85%	0.851	76%	0.756	S	S	*	*			trans	-81.3	92.6	147.1	33.5	-28.6	0	0	0	110.2
238	C	31.6	Very low	30	Very low	105 Å²	105	137.3 Å²	137.3	71%	0.709	76%	0.757	S	S	*	*			trans	-143.4	134.9	-177.1	-61.6	0	0	0	0	111.6	A236	A236-C238 PolarHBondContact O-N 3.47Å
239	S	31.7	Very low	29.8	Very low	102 Å²	102	137.7 Å²	137.7	71%	0.713	76%	0.764	S	S	*	*			cis	-154.4	139.4	-16.6	-64.5	0	0	0	0	108.9
240	P	29.1	Very low	29.4	Very low	107 Å²	107	135 Å²	135	70%	0.695	76%	0.762	S	S	*	*			trans	-76.7	169.1	158.5	36.5	-35.1	0	0	0	110.1
241	I	27.6	Very low	29.6	Very low	132 Å²	132	131.5 Å²	131.5	68%	0.677	76%	0.758	S	S	*	*			trans	55.9	115.3	161.7	-57.9	155.4	0	0	0	116.4
242	F	28.7	Very low	29.5	Very low	186 Å²	186	133.8 Å²	133.8	82%	0.816	76%	0.757	S	S	*	*			trans	-136.6	78.5	131	-101.9	-67.1	0	0	0	110.7	K244	F242-K244 VanDerWaalsContact C-N 3.25Å; F242-K244 HydrophobicContact CD1-CG 4.27Å; F242-K244 PolarHBondContact O-N 3.24Å
243	V	28.2	Very low	29.6	Very low	118 Å²	118	135 Å²	135	72%	0.715	76%	0.758	S	S	*	*			trans	-66.9	94.4	152.3	175	0	0	0	0	106.2	K245	V243-K245 PolarHBondContact O-N 2.92Å
244	K	31.1	Very low	29.4	Very low	181 Å²	181	135.5 Å²	135.5	79%	0.787	76%	0.755	S	S	*	*			trans	-73.4	81.6	160.5	-81.7	-158.3	170.4	-167.2	0	109.4	F242	F242-K244 VanDerWaalsContact C-N 3.25Å; F242-K244 HydrophobicContact CD1-CG 4.27Å; F242-K244 PolarHBondContact O-N 3.24Å
245	K	27.8	Very low	29.4	Very low	172 Å²	172	134 Å²	134	75%	0.748	75%	0.748	S	S	*	*			trans	-57.2	175.9	132.7	-110.5	-178.7	176.4	-178.9	0	108.6	V243	V243-K245 PolarHBondContact O-N 2.92Å
246	E	28.6	Very low	29.3	Very low	169 Å²	169	133.6 Å²	133.6	79%	0.79	74%	0.74	S	S	*	*			trans	75.4	130.6	176.7	-49.1	-175.3	-161.6	0	0	114.5
247	H	30.6	Very low	29.2	Very low	151 Å²	151	135.6 Å²	135.6	70%	0.699	75%	0.745	S	S	*	*			cis	-150.3	145.8	-12.2	-123.4	-66	0	0	0	111.2
248	T	28.9	Very low	29.4	Very low	108 Å²	108	137.8 Å²	137.8	66%	0.663	74%	0.741	S	S	*	*			trans	6.4	120.3	151.9	47.2	0	0	0	0	118.8
249	T	28.9	Very low	29.2	Very low	138 Å²	138	139.7 Å²	139.7	85%	0.847	74%	0.744	S	S	*	*				-171.8	146.7	102.9	22.5	0	0	0	0	111.5
250	P	27.3	Very low	29	Very low	119 Å²	119	139.4 Å²	139.4	77%	0.773	74%	0.742	S	S	*	*			trans	-95	128.5	178.4	34.6	-30.5	0	0	0	112.9
251	A	33.3	Very low	28.9	Very low	94 Å²	94	141.1 Å²	141.1	78%	0.777	74%	0.741	S	S	*	*			trans	-123.1	111.1	152.3	0	0	0	0	0	106.3
252	Q	28.4	Very low	28.9	Very low	159 Å²	159	144 Å²	144	74%	0.743	74%	0.743	S	S	*	*				68.1	128.5	68.2	-70.6	-168.8	-9.4	0	0	113.2
253	L	28.2	Very low	28.9	Very low	146 Å²	146	141.5 Å²	141.5	76%	0.764	74%	0.737	S	S	*	*			trans	68.3	145.6	155.8	-61.1	163.5	0	0	0	115.6
254	L	30.3	Very low	29.1	Very low	141 Å²	141	141.3 Å²	141.3	74%	0.738	74%	0.736	S	S	*	*			cis	-140.9	158.8	-16.3	-81	134.7	0	0	0	105.3
255	H	27.5	Very low	29	Very low	161 Å²	161	137.6 Å²	137.6	75%	0.745	73%	0.733	S	S	*	*			cis	77.4	55.5	31.7	-144.8	-62.2	0	0	0	117.3
256	T	30.4	Very low	29.6	Very low	107 Å²	107	134.1 Å²	134.1	66%	0.656	73%	0.728	S	S	*	*			trans	-151.3	137.3	157.6	35.1	0	0	0	0	107.4	F258	T256-F258 HydrophobicContact CG2-CD2 3.93Å; T256-F258 HydrophobicContact CG2-CE2 4.08Å
257	V	28.3	Very low	29.8	Very low	121 Å²	121	135.3 Å²	135.3	73%	0.733	73%	0.727	S	S	*	*			cis	65.4	70.6	16.9	-164.7	0	0	0	0	114.5
258	F	30	Very low	30	Very low	176 Å²	176	134.1 Å²	134.1	77%	0.772	73%	0.725	S	S	*	*			trans	-160.9	125	154.1	-86.9	-68.1	0	0	0	104.9	T256	T256-F258 HydrophobicContact CG2-CD2 3.93Å; T256-F258 HydrophobicContact CG2-CE2 4.08Å
259	N	27.3	Very low	30.3	Very low	145 Å²	145	136.7 Å²	136.7	78%	0.775	73%	0.727	S	S	*	*			cis	65.4	136.1	20.9	-138	23.8	0	0	0	113.1
260	S	28.6	Very low	30.6	Very low	96 Å²	96	138.8 Å²	138.8	67%	0.671	72%	0.724	S	S	*	*			trans	68.5	119.5	-171.4	-50.1	0	0	0	0	112.9
261	E	27.3	Very low	30.9	Very low	144 Å²	144	142.1 Å²	142.1	67%	0.673	73%	0.727	S	S	*	*				65.4	134.3	80.7	-75.3	-157.6	161.3	0	0	116
262	R	27.7	Very low	31	Very low	192 Å²	192	142.7 Å²	142.7	73%	0.725	72%	0.722	S	S	*	*			trans	76.5	121.6	146.5	-75.6	178.1	-134.9	-121.9	-5.3	122.2
263	I	28.5	Very low	31.3	Very low	134 Å²	134	143 Å²	143	69%	0.687	73%	0.727	S	S	*	*				93.9	138.6	121.8	-71.1	172.4	0	0	0	120.3
264	T	32.1	Very low	31.2	Very low	113 Å²	113	144.4 Å²	144.4	69%	0.693	73%	0.727	S	S	*	*			trans	59.4	117.8	168.6	43	0	0	0	0	118.1
265	S	29.1	Very low	31.4	Very low	103 Å²	103	146.9 Å²	146.9	72%	0.72	74%	0.735	S	S	*	*				52.7	155.4	52	91.1	0	0	0	0	113.6
266	P	40.2	Very low	31.4	Very low	99 Å²	99	145.7 Å²	145.7	64%	0.643	73%	0.733	S	S	*	*			cis	-118.7	-177.5	14.8	10.9	17.7	0	0	0	113
267	Y	33.6	Very low	31.4	Very low	195 Å²	195	147.5 Å²	147.5	77%	0.765	74%	0.739	S	S	*	*				-160.2	122.5	58.7	-103.7	-99.8	0	0	0	114.7
268	L	34.6	Very low	31.8	Very low	125 Å²	125	146.6 Å²	146.6	65%	0.654	74%	0.736	S	S	*	*			trans	61.5	150.9	144.5	-58.6	-175.2	0	0	0	119.6
269	K	34.4	Very low	31.8	Very low	163 Å²	163	143.9 Å²	143.9	71%	0.709	73%	0.733	S	S	*	*			cis	-154.8	128.6	13.8	-137.1	156.2	-173.9	172.2	0	110.2
270	K	35.1	Very low	31.9	Very low	182 Å²	182	144.5 Å²	144.5	79%	0.791	73%	0.729	S	S	*	*			trans	44.9	141.2	143.8	-57.7	-177.3	-178.9	-175.1	0	119
271	K	34	Very low	32	Very low	189 Å²	189	146.2 Å²	146.2	82%	0.822	73%	0.726	S	S	*	*			cis	-162.5	140.4	23	-143	178.1	-178.6	-170	0	109.6
272	P	34.5	Very low	32.1	Very low	105 Å²	105	145.5 Å²	145.5	68%	0.682	73%	0.732	S	S	*	*			trans	-98.3	171.7	173.5	38.9	-34.9	0	0	0	112.5
273	I	35.3	Very low	32.3	Very low	165 Å²	165	141.9 Å²	141.9	85%	0.846	73%	0.731	S	S	*	*			trans	-155.5	131.5	141.3	-97.7	145.3	0	0	0	107.5
274	F	27.2	Very low	32.4	Very low	176 Å²	176	142.7 Å²	142.7	77%	0.772	74%	0.735	S	S	*	*			trans	-96.4	154.5	164.5	-82.5	-105.3	0	0	0	108.3
275	H	33.4	Very low	32.6	Very low	194 Å²	194	142.8 Å²	142.8	90%	0.898	74%	0.738	S	S	*	*			trans	-145.9	157.1	135.5	-115.4	-83.7	0	0	0	110.7
276	L	28.5	Very low	32.8	Very low	136 Å²	136	142.7 Å²	142.7	71%	0.712	74%	0.737	S	S	*	*			trans	-110.3	167.7	-166.5	-77.4	156.5	0	0	0	112.4
277	N	30.2	Very low	32.5	Very low	145 Å²	145	142.8 Å²	142.8	78%	0.775	74%	0.74	S	S	*	*			trans	82.7	153.2	147.1	-78.5	2.9	0	0	0	119.1
278	P	37.3	Very low	32.5	Very low	102 Å²	102	140 Å²	140	66%	0.662	74%	0.739	S	S	*	*				-144.2	-156.4	-128.3	41.9	-19.9	0	0	0	115
279	V	28.6	Very low	32.3	Very low	119 Å²	119	138.4 Å²	138.4	72%	0.721	74%	0.738	S	S	*	*			trans	84	146.9	149.8	152.9	0	0	0	0	117.4
280	K	29.8	Very low	32.3	Very low	157 Å²	157	137.3 Å²	137.3	68%	0.683	74%	0.739	S	S	*	*			trans	76.2	147.5	176.4	-68.9	165.2	161.4	-74.1	0	116.6
281	E	29.8	Very low	32	Very low	132 Å²	132	137.2 Å²	137.2	62%	0.617	75%	0.746	S	S	*	*			cis	-161.6	161.4	-11.2	-123.1	152.7	-174.6	0	0	111.2
282	T	29.9	Very low	31.9	Very low	130 Å²	130	134.7 Å²	134.7	80%	0.798	74%	0.741	S	S	*	*			trans	61.4	150.9	162.4	53.2	0	0	0	0	118.3
283	T	31.9	Very low	31.8	Very low	115 Å²	115	134 Å²	134	71%	0.706	74%	0.738	S	S	*	*			cis	-161.4	134.7	-5.6	13.6	0	0	0	0	105.5
284	I	31.6	Very low	31.5	Very low	151 Å²	151	133 Å²	133	77%	0.774	73%	0.734	S	S	*	*				63.3	132.6	55.6	-62	-179.7	0	0	0	112.1
285	P	36.1	Very low	31.8	Very low	115 Å²	115	130.3 Å²	130.3	75%	0.747	73%	0.732	S	S	*	*			cis	-102.1	-142.7	11.6	16.1	9.1	0	0	0	112.4
286	S	33	Very low	31.6	Very low	101 Å²	101	129.5 Å²	129.5	71%	0.706	73%	0.726	S	S	*	*			cis	-158.8	149.9	14.7	-56.1	0	0	0	0	115.7
287	S	34.2	Very low	31.7	Very low	101 Å²	101	128.2 Å²	128.2	71%	0.706	72%	0.72	S	S	*	*			trans	16.8	144.1	136.8	-66.7	0	0	0	0	123.5
288	N	33.7	Very low	31.8	Very low	136 Å²	136	128.6 Å²	128.6	73%	0.727	72%	0.717	S	S	*	*			cis	-151.7	131.3	-0.1	-93.6	-15.7	0	0	0	108.3
289	S	31	Very low	31.8	Very low	93 Å²	93	131.4 Å²	131.4	65%	0.65	73%	0.726	S	S	*	*				56.9	136.4	92.5	84.9	0	0	0	0	114.7
290	L	32.7	Very low	31.8	Very low	140 Å²	140	133.1 Å²	133.1	73%	0.733	73%	0.73	S	S	*	*				-146.1	136.3	59.7	-74.1	158.7	0	0	0	114.5	I292	L290-I292 HydrophobicContact CD2-CD1 3.72Å; L290-I292 HydrophobicContact CD2-CG1 4.39Å
291	L	28.6	Very low	32	Very low	179 Å²	179	128.5 Å²	128.5	94%	0.937	73%	0.728	S	S	*	*			trans	-143.8	129.9	152.5	-102.7	174.1	0	0	0	108.6
292	I	32	Very low	32.2	Very low	137 Å²	137	129.4 Å²	129.4	70%	0.703	74%	0.737	S	S	*	*			trans	-150.8	139.1	-167.1	-67.4	-174.4	0	0	0	105.5	L290	L290-I292 HydrophobicContact CD2-CD1 3.72Å; L290-I292 HydrophobicContact CD2-CG1 4.39Å
293	S	33.1	Very low	32.3	Very low	90 Å²	90	129.6 Å²	129.6	63%	0.629	73%	0.732	S	S	*	*			cis	-153	161.1	7.1	44.2	0	0	0	0	112.6
294	N	28.6	Very low	32.1	Very low	143 Å²	143	131.3 Å²	131.3	77%	0.765	74%	0.736	S	S	*	*			trans	17	145.5	133.3	-48.6	-29.9	0	0	0	119.1
295	V	33.2	Very low	32.1	Very low	120 Å²	120	130.3 Å²	130.3	73%	0.727	73%	0.731	S	S	*	*				-173.5	132.9	76.8	152	0	0	0	0	111.6
296	K	30.8	Very low	31.9	Very low	178 Å²	178	132.5 Å²	132.5	77%	0.774	73%	0.729	S	S	*	*			trans	38.9	157	138.4	-57.5	-173.9	178.4	176.6	0	121.9
297	N	30.3	Very low	31.8	Very low	109 Å²	109	135 Å²	135	58%	0.583	73%	0.73	S	S	*	*			cis	-170.8	161.9	-9	-109.6	15.3	0	0	0	111.1
298	H	31.8	Very low	31.6	Very low	152 Å²	152	136 Å²	136	70%	0.704	73%	0.727	S	S	*	*			trans	60.8	157.3	159.7	-53.3	-49.4	0	0	0	117
299	L	37.5	Very low	31.3	Very low	162 Å²	162	138.2 Å²	138.2	85%	0.848	73%	0.73	S	S	*	*			cis	-122.6	140.2	1.4	-60.1	150.8	0	0	0	106.8
300	N	28.2	Very low	31	Very low	154 Å²	154	138.3 Å²	138.3	82%	0.824	73%	0.731	S	S	*	*			cis	71.8	106	35.6	-147.9	35.2	0	0	0	114.5
301	G	33.5	Very low	30.8	Very low	61 Å²	61	140.8 Å²	140.8	63%	0.629	73%	0.732	S	S	*	*			trans	166.6	71.2	177.7	0	0	0	0	0	118.6
302	N	34.1	Very low	30.7	Very low	151 Å²	151	140.3 Å²	140.3	81%	0.807	72%	0.719	S	S	*	*			trans	63.3	153.2	141	-56.7	-17.7	0	0	0	120.2
303	L	32.7	Very low	30.4	Very low	134 Å²	134	139.8 Å²	139.8	70%	0.702	71%	0.713	S	S	*	*			cis	-145	140.7	-13	-148.7	75.7	0	0	0	111.2
304	L	27.5	Very low	30.1	Very low	150 Å²	150	143.3 Å²	143.3	79%	0.785	72%	0.717	S	S	*	*			trans	-24.5	141.2	145	-92.5	143.7	0	0	0	115.7
305	I	32.5	Very low	30	Very low	131 Å²	131	140.9 Å²	140.9	67%	0.672	71%	0.708	S	S	*	*				176.6	116.9	118.8	-91.7	158.3	0	0	0	114.4
306	K	31.8	Very low	29.8	Very low	160 Å²	160	144.3 Å²	144.3	70%	0.696	71%	0.709	S	S	*	*			trans	47.6	124.1	136	-56.4	-179.4	-177	173.6	0	123.7
307	Q	30.9	Very low	29.8	Very low	154 Å²	154	141.1 Å²	141.1	72%	0.72	70%	0.7	S	S	*	*				86.5	136	117.9	-73.9	172.3	-8.6	0	0	123.5
308	N	28.4	Very low	29.8	Very low	122 Å²	122	141.7 Å²	141.7	65%	0.652	70%	0.703	S	S	*	*			trans	65.2	107.8	136.5	-67.2	-24.4	0	0	0	122
309	K	27.3	Very low	29.7	Very low	182 Å²	182	139 Å²	139	79%	0.791	69%	0.694	S	S	*	*				46.1	117.6	114.7	-67.6	-177.5	174.4	-180	0	119.2
310	S	26.2	Very low	29.4	Very low	95 Å²	95	137.5 Å²	137.5	66%	0.664	68%	0.681	S	S	*	*				74.8	157	127	74.2	0	0	0	0	119.9
311	Y	27.9	Very low	29.6	Very low	193 Å²	193	134.1 Å²	134.1	76%	0.757	66%	0.663	S	S	*	*			trans	66.1	142.6	174.9	-74	-98.7	0	0	0	116.6
312	Y	26.2	Very low	29.5	Very low	169 Å²	169	133.9 Å²	133.9	66%	0.663	65%	0.652	S	S	*	*			cis	-171.6	154.1	-29	-141.6	-122.2	0	0	0	108.5
313	Q	25.9	Very low	29.4	Very low	125 Å²	125	132.3 Å²	132.3	58%	0.584	64%	0.643	S	S	*	*			trans	61.6	152.2	150.4	-101.9	179.9	19.3	0	0	121.6
314	K	26.5	Very low	29.3	Very low	165 Å²	165	132.7 Å²	132.7	72%	0.717	65%	0.646	S	S	*	*			trans	68	148.6	148.1	-71	165.2	175.2	153.3	0	116.7
315	T	26.6	Very low	29.5	Very low	92 Å²	92	132 Å²	132	56%	0.564	64%	0.642	S	S	*	*			cis	-165.2	149.7	-11	19.5	0	0	0	0	105.3
316	Y	29.5	Very low	29.4	Very low	192 Å²	192	132.1 Å²	132.1	75%	0.753	64%	0.644	S	S	*	*				-174	171.2	55.3	-86.8	-58.1	0	0	0	106.2
317	N	30	Very low	29.4	Very low	111 Å²	111	131.5 Å²	131.5	59%	0.594	65%	0.648	S	S	*	*			cis	-152.3	155.6	-5.5	-124.6	-25.7	0	0	0	108.9
318	N	30	Very low	29.6	Very low	121 Å²	121	132 Å²	132	65%	0.647	66%	0.655	S	S	*	*			trans	39.2	137.2	143.2	-56.8	-17.4	0	0	0	121.4
319	N	31.2	Very low	30	Very low	95 Å²	95	130.6 Å²	130.6	51%	0.508	65%	0.653	S	S	.	*			cis	-160.8	131.4	-2.4	-119.5	-20.2	0	0	0	113	R42	R42-N319 PolarHBondContact NH1-O 2.84Å; R42-N319 PolarHBondContact NH2-O 2.89Å
320	K	30.9	Very low	30.2	Very low	131 Å²	131	129.1 Å²	129.1	57%	0.57	65%	0.653	S	S	*	*				59.8	131.4	128.2	-83.9	-175	137.2	-72	0	124.2	N41 R42	N41-K320 PolarHBondContact ND2-O 3.1Å; R42-K320 PolarHBondContact NH1-O 3.23Å
321	D	32.7	Very low	30.8	Very low	82 Å²	82	127.1 Å²	127.1	44%	0.439	64%	0.639	S	S	.	*			trans	81.9	68.4	134.8	-51.8	-8.3	0	0	0	120.8	N41	N41-D321 WeakPolarHBondContact CB-O 3.45Å; N41-D321 PolarHBondContact ND2-O 3.47Å
322	S	30.3	Very low	31.4	Very low	57 Å²	57	124.2 Å²	124.2	40%	0.399	63%	0.632	S	S	.	*				50.4	151.4	107.5	70.1	0	0	0	0	125
323	N	32	Very low	32.3	Very low	118 Å²	118	122.6 Å²	122.6	63%	0.631	63%	0.634	S	S	*	*			trans	81.8	105.9	147.2	-61.1	-17.9	0	0	0	120.5
324	N	31.8	Very low	33.4	Very low	142 Å²	142	121.6 Å²	121.6	76%	0.759	63%	0.629	S	S	*	*				175.1	119.6	119.1	-85.7	-19	0	0	0	109
325	L	30.6	Very low	34.5	Very low	136 Å²	136	117.6 Å²	117.6	71%	0.712	62%	0.615	S	S	*	*				82.2	97.9	76.7	-90.9	168.4	0	0	0	114.9
326	N	31.6	Very low	35.5	Very low	132 Å²	132	116.7 Å²	116.7	71%	0.706	61%	0.607	S	S	*	*			trans	71.2	157.3	151.9	-58.1	-17	0	0	0	120.5
327	N	31.8	Very low	36.8	Very low	147 Å²	147	111.7 Å²	111.7	79%	0.786	59%	0.593	S	S	*	*			trans	67.9	98.9	162.7	-52.9	-22.8	0	0	0	118.5
328	L	34.8	Very low	37.7	Very low	166 Å²	166	112.2 Å²	112.2	87%	0.869	59%	0.592	S	S	*	*				-172.6	165.9	117.1	-113.4	69.6	0	0	0	108.6
329	P	36.2	Very low	38.6	Very low	91 Å²	91	111.6 Å²	111.6	59%	0.591	59%	0.585	S	S	*	*			trans	-118.1	174.4	-132	13.6	11.8	0	0	0	116	S331	P329-S331 VanDerWaalsContact C-N 3.25Å; P329-S331 PolarHBondContact O-N 2.94Å
330	L	31.6	Very low	39.2	Very low	151 Å²	151	114.3 Å²	114.3	79%	0.791	59%	0.592	S	S	*	*	S	Bend	trans	-66.9	82.3	159.1	-87.7	61.1	0	0	0	109.5
331	S	38.5	Very low	40.2	Very low	53 Å²	53	115.4 Å²	115.4	37%	0.371	60%	0.597	S	S	.	*			trans	-147.3	57.1	-176.9	64.6	0	0	0	0	113.6	P329	P329-S331 VanDerWaalsContact C-N 3.25Å; P329-S331 PolarHBondContact O-N 2.94Å
332	Q	40.4	Very low	41	Very low	132 Å²	132	114.9 Å²	114.9	62%	0.617	60%	0.6	S	S	*	*	S	Bend	trans	-148.3	-52.8	156.5	-153.3	71.7	55.6	0	0	111.5	E334 L335 N336	Q332-E334 PolarHBondContact O-N 3.38Å; Q332-L335 PolarHBondContact O-N 2.89Å; Q332-N336 WeakPolarHBondContact O-CB 3.49Å; Q332-N336 PolarHBondContact O-N 2.94Å; Q332-N336 PolarHBondContact O-OD1 3.02Å; Q332-N336 VanDerWaalsContact O-OD1 3.09Å
333	L	44.5	Very low	41.9	Very low	136 Å²	136	118 Å²	118	71%	0.712	61%	0.611	S	S	*	*	H	α-helix	trans	-64	-42.3	177.3	-143.1	86.1	0	0	0	111.9	N336 I337	L333-N336 PolarHBondContact O-N 3.22Å; L333-I337 WeakPolarHBondContact O-CB 3.28Å; L333-I337 VanDerWaalsContact O-CG1 3.28Å; L333-I337 WeakPolarHBondContact O-CG1 3.39Å; L333-I337 PolarHBondContact O-N 2.73Å
334	E	49.7	Very low	42.3	Very low	103 Å²	103	118.2 Å²	118.2	48%	0.481	61%	0.612	S	S	.	*	H	α-helix	trans	-68.7	-36.6	177.6	-159.8	111.6	-137.4	0	0	111.9	Q332 I337 Q338	Q332-E334 PolarHBondContact O-N 3.38Å; E334-I337 PolarHBondContact O-N 2.97Å; E334-Q338 WeakPolarHBondContact O-CG 3.33Å; E334-Q338 PolarHBondContact O-N 2.84Å
335	L	50.2	Low	43	Very low	81 Å²	81	120.2 Å²	120.2	42%	0.424	61%	0.614	S	S	.	*	H	α-helix	trans	-63.9	-46.4	171.9	-85.5	171.6	0	0	0	111.2	Q332 I337 Q338 Q339	Q332-L335 PolarHBondContact O-N 2.89Å; L335-I337 VanDerWaalsContact C-N 3.31Å; L335-I337 PolarHBondContact O-N 2.72Å; L335-Q338 PolarHBondContact O-N 3.06Å; L335-Q338 VanDerWaalsContact O-N 3.17Å; L335-Q339 WeakPolarHBondContact O-CB 3.44Å; L335-Q339 WeakPolarHBondContact O-CG 3.49Å; L335-Q339 PolarHBondContact O-N 3.39Å
336	N	46.5	Very low	43.3	Very low	74 Å²	74	121.4 Å²	121.4	40%	0.396	62%	0.616	S	S	.	*	H	α-helix	trans	-63.1	-37.5	177.9	-67.2	9.7	0	0	0	111.6	Q332 L333 Q339 F340	Q332-N336 WeakPolarHBondContact O-CB 3.49Å; Q332-N336 PolarHBondContact O-N 2.94Å; Q332-N336 PolarHBondContact O-OD1 3.02Å; Q332-N336 VanDerWaalsContact O-OD1 3.09Å; L333-N336 PolarHBondContact O-N 3.22Å; N336-Q339 PolarHBondContact O-N 3.14Å; N336-F340 PolarHBondContact O-N 2.94Å
337	I	56.5	Low	43.5	Very low	87 Å²	87	123.3 Å²	123.3	45%	0.446	63%	0.625	S	S	.	*	H	α-helix	trans	-70.3	-30.7	176.1	-70.8	166.8	0	0	0	112.1	L333 E334 L335	L333-I337 WeakPolarHBondContact O-CB 3.28Å; L333-I337 VanDerWaalsContact O-CG1 3.28Å; L333-I337 WeakPolarHBondContact O-CG1 3.39Å; L333-I337 PolarHBondContact O-N 2.73Å; E334-I337 PolarHBondContact O-N 2.97Å; L335-I337 VanDerWaalsContact C-N 3.31Å; L335-I337 PolarHBondContact O-N 2.72Å
338	Q	49.5	Very low	43.6	Very low	122 Å²	122	123.7 Å²	123.7	57%	0.57	63%	0.627	S	S	*	*	H	α-helix	trans	-76.3	-42.8	170.6	-71.5	-169.2	14.6	0	0	112	E334 L335 F340 K341 S342	E334-Q338 WeakPolarHBondContact O-CG 3.33Å; E334-Q338 PolarHBondContact O-N 2.84Å; L335-Q338 PolarHBondContact O-N 3.06Å; L335-Q338 VanDerWaalsContact O-N 3.17Å; Q338-F340 VanDerWaalsContact C-N 3.34Å; Q338-F340 PolarHBondContact O-N 2.98Å; Q338-K341 CarbonylContact O-C 3.44Å; Q338-K341 WeakPolarHBondContact O-CA 3.49Å; Q338-K341 WeakPolarHBondContact O-CB 3.29Å; Q338-K341 PolarHBondContact O-N 3.1Å; Q338-S342 PolarHBondContact O-N 3.08Å; Q338-S342 PolarHBondContact O-OG 3.42Å
339	Q	49.3	Very low	43.5	Very low	107 Å²	107	121.6 Å²	121.6	50%	0.5	62%	0.621	S	S	.	*	H	α-helix	trans	-58.3	-42.8	175.6	-76.5	176.2	-28.5	0	0	111.9	L335 N336 K341 S342 I343	L335-Q339 WeakPolarHBondContact O-CB 3.44Å; L335-Q339 WeakPolarHBondContact O-CG 3.49Å; L335-Q339 PolarHBondContact O-N 3.39Å; N336-Q339 PolarHBondContact O-N 3.14Å; Q339-K341 PolarHBondContact O-N 3.05Å; Q339-S342 PolarHBondContact O-N 3.31Å; Q339-S342 VanDerWaalsContact O-N 3.1Å; Q339-I343 WeakPolarHBondContact O-CB 3.38Å; Q339-I343 VanDerWaalsContact O-CG1 3.29Å; Q339-I343 WeakPolarHBondContact O-CG1 3.42Å; Q339-I343 PolarHBondContact O-N 2.93Å
340	F	44.5	Very low	43.4	Very low	153 Å²	153	123.9 Å²	123.9	67%	0.671	63%	0.628	S	S	*	*	H	α-helix	trans	-63.5	-22.9	173.8	-109.7	-89.5	0	0	0	114.2	N336 Q338 N344	N336-F340 PolarHBondContact O-N 2.94Å; Q338-F340 VanDerWaalsContact C-N 3.34Å; Q338-F340 PolarHBondContact O-N 2.98Å; F340-N344 PolarHBondContact O-ND2 2.96Å
341	K	51.6	Low	43.4	Very low	153 Å²	153	123.4 Å²	123.4	67%	0.665	63%	0.626	S	S	*	*	H	α-helix	trans	-88.2	-22.9	172.9	-75	177.2	176.8	174.5	0	113.6	Q338 Q339	Q338-K341 CarbonylContact O-C 3.44Å; Q338-K341 WeakPolarHBondContact O-CA 3.49Å; Q338-K341 WeakPolarHBondContact O-CB 3.29Å; Q338-K341 PolarHBondContact O-N 3.1Å; Q339-K341 PolarHBondContact O-N 3.05Å
342	S	48.9	Very low	43.3	Very low	72 Å²	72	127 Å²	127	50%	0.503	64%	0.641	S	S	.	*	H	α-helix	trans	-77.2	-47.5	171.5	-57.7	0	0	0	0	111.3	Q338 Q339 N344 K345	Q338-S342 PolarHBondContact O-N 3.08Å; Q338-S342 PolarHBondContact O-OG 3.42Å; Q339-S342 PolarHBondContact O-N 3.31Å; Q339-S342 VanDerWaalsContact O-N 3.1Å; S342-N344 VanDerWaalsContact C-N 3.29Å; S342-N344 PolarHBondContact O-N 2.84Å; S342-K345 PolarHBondContact O-N 2.8Å
343	I	49.1	Very low	43	Very low	121 Å²	121	127.4 Å²	127.4	62%	0.621	65%	0.647	S	S	*	*	H	α-helix	trans	-63.4	-34.1	-176.2	-67.9	164.7	0	0	0	111.6	Q339 K345	Q339-I343 WeakPolarHBondContact O-CB 3.38Å; Q339-I343 VanDerWaalsContact O-CG1 3.29Å; Q339-I343 WeakPolarHBondContact O-CG1 3.42Å; Q339-I343 PolarHBondContact O-N 2.93Å; I343-K345 VanDerWaalsContact C-N 3.27Å; I343-K345 PolarHBondContact O-N 3.24Å
344	N	41.4	Very low	42.5	Very low	124 Å²	124	127.6 Å²	127.6	66%	0.663	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	27.7	175.5	-68.3	-73.7	0	0	0	113.6	F340 S342	F340-N344 PolarHBondContact O-ND2 2.96Å; S342-N344 VanDerWaalsContact C-N 3.29Å; S342-N344 PolarHBondContact O-N 2.84Å
345	K	44.8	Very low	41.7	Very low	184 Å²	184	132.3 Å²	132.3	80%	0.8	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.6	21.4	176.7	-143.7	-172.3	-179.6	-167.1	0	114.3	S342 I343	S342-K345 PolarHBondContact O-N 2.8Å; I343-K345 VanDerWaalsContact C-N 3.27Å; I343-K345 PolarHBondContact O-N 3.24Å
346	Q	37.2	Very low	40.9	Very low	160 Å²	160	133.4 Å²	133.4	75%	0.748	68%	0.683	S	S	*	*			trans	-140.7	49.8	-177.1	-150.4	156.5	6.8	0	0	111.8
347	L	35.5	Very low	40.3	Very low	172 Å²	172	133.6 Å²	133.6	90%	0.901	69%	0.694	S	S	*	*	S	Bend	trans	-135.5	55.2	164.6	-78.1	179.3	0	0	0	109.1
348	D	34.6	Very low	39.2	Very low	155 Å²	155	136 Å²	136	83%	0.829	71%	0.708	S	S	*	*	S	Bend	trans	-161.8	132.9	166.2	-112.8	-28.8	0	0	0	108.8
349	V	33.6	Very low	38.3	Very low	123 Å²	123	139.7 Å²	139.7	75%	0.745	72%	0.718	S	S	*	*			trans	59.8	102.4	173.9	-167.1	0	0	0	0	117.3
350	D	32.5	Very low	37.6	Very low	139 Å²	139	140.1 Å²	140.1	74%	0.743	73%	0.728	S	S	*	*			trans	-129.7	157.3	140.9	-98.1	-45.9	0	0	0	107.5
351	N	33.5	Very low	37	Very low	140 Å²	140	139 Å²	139	75%	0.749	73%	0.729	S	S	*	*			trans	79.6	101.7	-153.6	-55.1	-26.3	0	0	0	111.4
352	L	35.6	Very low	36.3	Very low	129 Å²	129	137.5 Å²	137.5	68%	0.675	73%	0.728	S	S	*	*			cis	58.2	118.3	33.9	-46.6	170.2	0	0	0	110.5
353	D	34.7	Very low	35.4	Very low	140 Å²	140	140.6 Å²	140.6	75%	0.749	74%	0.739	S	S	*	*			cis	-132.6	179.2	7.8	-76.5	-56.8	0	0	0	109.2
354	D	33.7	Very low	34.7	Very low	141 Å²	141	141.3 Å²	141.3	75%	0.754	74%	0.744	S	S	*	*			cis	-159.6	165.1	31.5	-151.8	-25.1	0	0	0	113.3
355	K	32.8	Very low	34.3	Very low	202 Å²	202	141.3 Å²	141.3	88%	0.878	74%	0.744	S	S	*	*			trans	-137.4	102.5	170.2	-96.4	-168.1	175.9	-176.2	0	110.9
356	S	34	Very low	33.8	Very low	104 Å²	104	138.2 Å²	138.2	73%	0.727	74%	0.736	S	S	*	*			trans	-133.2	119.4	151.5	46.5	0	0	0	0	107.9
357	A	33.5	Very low	33.5	Very low	77 Å²	77	137 Å²	137	64%	0.636	74%	0.735	S	S	*	*				84.8	115.6	54.3	0	0	0	0	0	112.3
358	D	33.8	Very low	33.4	Very low	138 Å²	138	134.6 Å²	134.6	74%	0.738	72%	0.723	S	S	*	*			trans	73	147.1	131.7	-57.9	-6.3	0	0	0	119.2
359	Y	30.5	Very low	33.2	Very low	199 Å²	199	136.5 Å²	136.5	78%	0.78	72%	0.724	S	S	*	*			cis	-165.2	-169.3	-5.6	-134.1	-129.2	0	0	0	109.5
360	V	33.3	Very low	33.2	Very low	116 Å²	116	133.8 Å²	133.8	70%	0.703	72%	0.721	S	S	*	*			trans	81.1	132	152.4	167.5	0	0	0	0	120.9
361	N	32.8	Very low	33.2	Very low	130 Å²	130	136.4 Å²	136.4	70%	0.695	73%	0.726	S	S	*	*			trans	60.1	122.7	162.5	-71.5	-18	0	0	0	120
362	N	36	Very low	32.9	Very low	121 Å²	121	136 Å²	136	65%	0.647	73%	0.728	S	S	*	*			cis	87.4	100.3	45.7	-74.6	-46	0	0	0	114.5
363	N	30.7	Very low	32.8	Very low	137 Å²	137	135.1 Å²	135.1	73%	0.733	73%	0.73	S	S	*	*				64.4	140	127.9	-65.7	-15.2	0	0	0	122.4
364	N	33.3	Very low	32.6	Very low	136 Å²	136	135.1 Å²	135.1	73%	0.727	73%	0.729	S	S	*	*			trans	88.3	120.9	148.7	-65.6	-14.2	0	0	0	120.1
365	N	34.1	Very low	32.5	Very low	124 Å²	124	134.5 Å²	134.5	66%	0.663	73%	0.726	S	S	*	*			trans	78.6	107.6	133.8	-67.4	-13.7	0	0	0	120.4
366	N	33.4	Very low	32.6	Very low	119 Å²	119	131 Å²	131	64%	0.636	72%	0.717	S	S	*	*				70.5	109.6	115.6	-59.5	-19.4	0	0	0	120
367	N	31.3	Very low	32.8	Very low	136 Å²	136	132.5 Å²	132.5	73%	0.727	72%	0.717	S	S	*	*			trans	76.1	156.4	131.5	-58.4	-26.2	0	0	0	119.1
368	N	34.3	Very low	33	Very low	121 Å²	121	135.9 Å²	135.9	65%	0.647	72%	0.719	S	S	*	*			trans	71.3	114	173.6	-56.7	-51.5	0	0	0	113.8
369	K	30.6	Very low	33	Very low	194 Å²	194	137 Å²	137	84%	0.843	72%	0.717	S	S	*	*				91.5	141.4	58.1	-81.6	173.9	-163.2	149.1	0	111
370	G	32.4	Very low	33.4	Very low	67 Å²	67	133.7 Å²	133.7	69%	0.691	71%	0.713	S	S	*	*			trans	98.8	126.1	-178.5	0	0	0	0	0	110.5
371	K	32.4	Very low	33.6	Very low	194 Å²	194	133.5 Å²	133.5	84%	0.843	71%	0.708	S	S	*	*			cis	64.6	103.4	44.7	-57.6	-172.7	171.3	-170.6	0	111.1
372	V	28.2	Very low	33.7	Very low	130 Å²	130	137 Å²	137	79%	0.788	71%	0.711	S	S	*	*				45.3	100.3	79.2	-174.6	0	0	0	0	110.9
373	P	33.8	Very low	33.6	Very low	111 Å²	111	139.3 Å²	139.3	72%	0.721	72%	0.715	S	S	*	*				-118.5	150.5	97.7	0.5	21.4	0	0	0	111.5
374	L	29	Very low	33.8	Very low	140 Å²	140	139 Å²	139	73%	0.733	71%	0.714	S	S	*	*				79.8	142.4	59.4	-69.5	167.4	0	0	0	114.6
375	D	33.2	Very low	33.7	Very low	129 Å²	129	140.7 Å²	140.7	69%	0.69	72%	0.717	S	S	*	*			trans	69.4	145.4	155.5	-58.4	-7.3	0	0	0	118.3
376	N	35	Very low	33.8	Very low	127 Å²	127	139.5 Å²	139.5	68%	0.679	72%	0.716	S	S	*	*			cis	-159.1	-178.3	-8.8	-118.3	-27.3	0	0	0	112.8
377	D	37.1	Very low	33.8	Very low	136 Å²	136	140.4 Å²	140.4	73%	0.727	72%	0.721	S	S	*	*			trans	79.2	93.3	156.3	-59.3	-32.8	0	0	0	121.5
378	H	38.2	Very low	33.8	Very low	149 Å²	149	140.7 Å²	140.7	69%	0.69	72%	0.723	S	S	*	*				74.4	175.3	128.1	-100.3	-124.9	0	0	0	118.4
379	F	34.4	Very low	33.5	Very low	160 Å²	160	142.1 Å²	142.1	70%	0.702	73%	0.73	S	S	*	*			cis	-148.3	83	11.1	-146.6	-54.5	0	0	0	114.5
380	L	37.6	Very low	33.6	Very low	131 Å²	131	139.8 Å²	139.8	69%	0.686	73%	0.725	S	S	*	*			trans	65.3	148.7	173.2	-56.5	168.7	0	0	0	114.5
381	N	37.3	Very low	33.5	Very low	111 Å²	111	145.1 Å²	145.1	59%	0.594	73%	0.729	S	S	*	*			cis	-156.4	170.4	0.9	-88.1	-34	0	0	0	106
382	R	34.5	Very low	33.4	Very low	203 Å²	203	146.9 Å²	146.9	77%	0.766	73%	0.731	S	S	*	*			cis	-172.9	152.5	-22	-90.3	173.8	-163.3	-174.2	5	104.4
383	K	35.6	Very low	33.5	Very low	170 Å²	170	148.1 Å²	148.1	74%	0.739	73%	0.733	S	S	*	*			cis	-155.2	138	-4.3	-118.5	-165.3	177.5	-173.1	0	107.8
384	N	33.5	Very low	33.7	Very low	130 Å²	130	147.4 Å²	147.4	70%	0.695	73%	0.728	S	S	*	*			trans	61.3	141.7	153.6	-55.7	33.9	0	0	0	120.1
385	E	32.5	Very low	33.8	Very low	172 Å²	172	149.1 Å²	149.1	80%	0.804	73%	0.73	S	S	*	*			cis	-166.2	135.6	-26.9	-163.9	160.1	-134.3	0	0	109.3
386	P	36.2	Very low	33.7	Very low	99 Å²	99	149 Å²	149	64%	0.643	73%	0.725	S	S	*	*			trans	-119.8	-177.3	177.6	42.2	-32.6	0	0	0	114.8
387	D	31.8	Very low	33.3	Very low	138 Å²	138	152.6 Å²	152.6	74%	0.738	73%	0.73	S	S	*	*			trans	69.5	128.8	157.8	-59	-34	0	0	0	121.4
388	N	32.1	Very low	32.9	Very low	142 Å²	142	151.3 Å²	151.3	76%	0.759	72%	0.723	S	S	*	*				166.3	112.1	114.8	-90.3	-78.9	0	0	0	108.9
389	L	29	Very low	32.4	Very low	151 Å²	151	152.2 Å²	152.2	79%	0.791	73%	0.732	S	S	*	*				64.1	104.4	71	-159.6	93.8	0	0	0	114.2
390	I	31	Very low	32	Very low	146 Å²	146	151.1 Å²	151.1	75%	0.749	73%	0.73	S	S	*	*			trans	-166.4	115.2	145.3	-101.4	149.9	0	0	0	113.2
391	K	30.7	Very low	31.5	Very low	178 Å²	178	150.5 Å²	150.5	77%	0.774	73%	0.731	S	S	*	*			trans	14.6	121	143.6	-54	163.5	-174.6	170.4	0	119.2
392	R	31.8	Very low	31	Very low	232 Å²	232	152 Å²	152	88%	0.875	73%	0.734	S	S	*	*				178.8	116.2	109.1	-95	169.7	-167.8	100.4	-9.8	114.3
393	D	29.8	Very low	30.7	Very low	156 Å²	156	146.8 Å²	146.8	83%	0.834	73%	0.728	S	S	*	*			trans	-74	174.6	159	-81.6	-56.8	0	0	0	112.5
394	P	37.8	Very low	30.3	Very low	96 Å²	96	146.6 Å²	146.6	62%	0.623	73%	0.73	S	S	*	*			cis	-138.4	-179.5	-47.6	37.7	-20.9	0	0	0	112.1
395	K	30.4	Very low	30.1	Very low	176 Å²	176	144.3 Å²	144.3	77%	0.765	72%	0.724	S	S	*	*			trans	145	152	138.6	-80.2	159.8	-174.8	172.4	0	115.3
396	H	30.4	Very low	29.9	Very low	126 Å²	126	140.9 Å²	140.9	58%	0.583	73%	0.725	S	S	*	*			trans	74.5	106.6	169.9	-60.5	-63.8	0	0	0	116	K227	K227-H396 PolarHBondContact NZ-NE2 2.92Å
397	Y	28.4	Very low	29.7	Very low	202 Å²	202	144.9 Å²	144.9	79%	0.792	73%	0.732	S	S	*	*				91.2	108	54.7	-92	-79.8	0	0	0	113.6
398	L	27.6	Very low	29.5	Very low	110 Å²	110	148 Å²	148	58%	0.576	73%	0.734	S	S	*	*			trans	38.6	120.3	143.8	-60.6	177.6	0	0	0	119.7	E400	L398-E400 HydrophobicContact CD2-CG 3.79Å; L398-E400 WeakPolarHBondContact CD2-OE2 3.46Å
399	N	27.6	Very low	29.5	Very low	167 Å²	167	148.3 Å²	148.3	89%	0.893	73%	0.734	S	S	*	*				-139.7	89.7	115.1	-100.5	-40.7	0	0	0	109.1
400	E	26.7	Very low	29.6	Very low	137 Å²	137	147.2 Å²	147.2	64%	0.64	72%	0.724	S	S	*	*			trans	-65.4	134.3	166.2	-70.1	168.3	120	0	0	109.6	L398 H402	L398-E400 HydrophobicContact CD2-CG 3.79Å; L398-E400 WeakPolarHBondContact CD2-OE2 3.46Å; E400-H402 HydrophobicContact CB-CB 4.41Å
401	V	27.2	Very low	29.8	Very low	119 Å²	119	145.8 Å²	145.8	72%	0.721	72%	0.722	S	S	*	*			trans	-110.5	65.4	154.2	-173.6	0	0	0	0	106.8	C403	V401-C403 PolarHBondContact O-N 2.97Å
402	H	27.3	Very low	30	Very low	142 Å²	142	142.5 Å²	142.5	66%	0.657	72%	0.719	S	S	*	*			trans	-71.4	83.3	172.4	-157.5	-74.2	0	0	0	108	E400 E404	E400-H402 HydrophobicContact CB-CB 4.41Å; H402-E404 PolarHBondContact O-N 2.91Å
403	C	27.3	Very low	30.2	Very low	93 Å²	93	136.1 Å²	136.1	63%	0.628	71%	0.708	S	S	*	*			trans	-69.6	77.1	175.3	-88.1	0	0	0	0	109.8	V401 S405	V401-C403 PolarHBondContact O-N 2.97Å; C403-S405 PolarHBondContact O-N 2.76Å
404	E	27	Very low	30.5	Very low	167 Å²	167	133.5 Å²	133.5	78%	0.78	70%	0.699	S	S	*	*			trans	-72.9	60.8	174.9	-161.7	173.2	179.6	0	0	111	H402 A406	H402-E404 PolarHBondContact O-N 2.91Å; E404-A406 PolarHBondContact O-N 2.74Å
405	S	30.4	Very low	30.4	Very low	82 Å²	82	133.4 Å²	133.4	57%	0.573	70%	0.701	S	S	*	*			trans	-76.5	103.7	165.6	64	0	0	0	0	107.7	C403 K407	C403-S405 PolarHBondContact O-N 2.76Å; S405-K407 PolarHBondContact O-N 3.03Å
406	A	28.2	Very low	30.7	Very low	99 Å²	99	133.7 Å²	133.7	82%	0.818	70%	0.698	S	S	*	*			trans	-66.1	74.4	176.5	0	0	0	0	0	111.6	E404 R408	E404-A406 PolarHBondContact O-N 2.74Å; A406-R408 VanDerWaalsContact C-N 3.28Å; A406-R408 PolarHBondContact O-N 2.89Å
407	K	32	Very low	30.9	Very low	184 Å²	184	131.9 Å²	131.9	80%	0.8	70%	0.7	S	S	*	*			trans	-67.4	89.1	169.9	-77.2	-174.2	179.5	-179	0	108.3	S405 I409	S405-K407 PolarHBondContact O-N 3.03Å; K407-I409 PolarHBondContact O-N 3.29Å
408	R	27.1	Very low	31.1	Very low	204 Å²	204	128.9 Å²	128.9	77%	0.77	70%	0.698	S	S	*	*			trans	-57.6	102	168.8	-171	-172.3	-147.7	-135.2	9.8	108	A406 E410	A406-R408 VanDerWaalsContact C-N 3.28Å; A406-R408 PolarHBondContact O-N 2.89Å; R408-E410 PolarHBondContact O-N 2.98Å; R408-E410 VanDerWaalsContact O-N 3.16Å
409	I	31.3	Very low	31.3	Very low	148 Å²	148	129.7 Å²	129.7	76%	0.759	70%	0.702	S	S	*	*			trans	-55.1	120.9	175	-61.7	172.2	0	0	0	107.3	K407 T411	K407-I409 PolarHBondContact O-N 3.29Å; I409-T411 VanDerWaalsContact C-N 3.29Å; I409-T411 PolarHBondContact O-N 3.45Å
410	E	32.2	Very low	31.5	Very low	128 Å²	128	127.2 Å²	127.2	60%	0.598	69%	0.693	S	S	*	*			trans	-81.6	85	175.2	-55.5	-141.4	128.5	0	0	107.6	R408 K538	R408-E410 PolarHBondContact O-N 2.98Å; R408-E410 VanDerWaalsContact O-N 3.16Å; E410-K538 IonicContact OE1-NZ 2.74Å; E410-K538 PolarHBondContact OE1-NZ 2.77Å
411	T	33.9	Very low	31.6	Very low	115 Å²	115	127.4 Å²	127.4	71%	0.706	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-54.2	131	169.8	51.5	0	0	0	0	109	I409	I409-T411 VanDerWaalsContact C-N 3.29Å; I409-T411 PolarHBondContact O-N 3.45Å
412	P	35.1	Very low	31.6	Very low	109 Å²	109	128.4 Å²	128.4	71%	0.708	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-58	152.4	174	25.9	-34.3	0	0	0	110.2
413	P	36.3	Very low	31.7	Very low	98 Å²	98	128.7 Å²	128.7	64%	0.636	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-57.7	138.1	172.7	26.2	-34	0	0	0	109.2	S415	P413-S415 PolarHBondContact O-N 3.34Å
414	P	36.1	Very low	31.7	Very low	101 Å²	101	131.6 Å²	131.6	66%	0.656	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-59.9	128.3	-175.5	23.9	-33.8	0	0	0	110.5	Y416	P414-Y416 HydrophobicContact CG-CD2 4.42Å; P414-Y416 HydrophobicContact CG-CE2 4.07Å; P414-Y416 PolarHBondContact O-N 3.13Å; P414-Y416 VanDerWaalsContact O-N 3.12Å
415	S	34.7	Very low	31.8	Very low	94 Å²	94	128.3 Å²	128.3	66%	0.657	70%	0.704	S	S	*	*			trans	-66	111.8	172.7	-171.8	0	0	0	0	108.6	P413 S417	P413-S415 PolarHBondContact O-N 3.34Å; S415-S417 PolarHBondContact O-N 3.42Å; S415-S417 PolarHBondContact OG-OG 2.96Å
416	Y	37.6	Very low	31.8	Very low	182 Å²	182	130.5 Å²	130.5	71%	0.714	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	56	177.5	-97.1	-88.7	0	0	0	111.3	P414 L419	P414-Y416 HydrophobicContact CG-CD2 4.42Å; P414-Y416 HydrophobicContact CG-CE2 4.07Å; P414-Y416 PolarHBondContact O-N 3.13Å; P414-Y416 VanDerWaalsContact O-N 3.12Å; Y416-L419 HydrophobicContact CD1-CD1 3.55Å; Y416-L419 HydrophobicContact CD1-CG 3.77Å; Y416-L419 HydrophobicContact CE1-CD1 3.84Å; Y416-L419 HydrophobicContact CE1-CG 4.06Å
417	S	35	Very low	31.9	Very low	88 Å²	88	134.3 Å²	134.3	62%	0.615	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-31.4	172.2	-53.5	0	0	0	0	111.5	S415 L419	S415-S417 PolarHBondContact O-N 3.42Å; S415-S417 PolarHBondContact OG-OG 2.96Å; S417-L419 PolarHBondContact O-N 2.93Å
418	D	32.9	Very low	31.8	Very low	139 Å²	139	132 Å²	132	74%	0.743	71%	0.707	S	S	*	*			trans	-98.8	23.4	-167	-54.8	-39.9	0	0	0	114.2	T420	D418-T420 PolarHBondContact O-N 2.77Å
419	L	31.7	Very low	32	Very low	127 Å²	127	129.6 Å²	129.6	67%	0.665	70%	0.704	S	S	*	*			trans	-79.4	72	158	-81.9	176.5	0	0	0	109.2	Y416 S417 I421	Y416-L419 HydrophobicContact CD1-CD1 3.55Å; Y416-L419 HydrophobicContact CD1-CG 3.77Å; Y416-L419 HydrophobicContact CE1-CD1 3.84Å; Y416-L419 HydrophobicContact CE1-CG 4.06Å; S417-L419 PolarHBondContact O-N 2.93Å; L419-I421 PolarHBondContact O-N 3.39Å; L419-I421 VanDerWaalsContact O-N 3.13Å
420	T	30.8	Very low	31.8	Very low	116 Å²	116	130.8 Å²	130.8	71%	0.712	71%	0.71	S	S	*	*			trans	-58.1	113.5	164.2	40.5	0	0	0	0	108.8	D418 L422	D418-T420 PolarHBondContact O-N 2.77Å; T420-L422 PolarHBondContact O-N 3.07Å
421	I	29.4	Very low	31.6	Very low	141 Å²	141	131 Å²	131	72%	0.723	72%	0.715	S	S	*	*			trans	-70.4	102.1	168.6	-58.8	178.7	0	0	0	106.6	L419 N423	L419-I421 PolarHBondContact O-N 3.39Å; L419-I421 VanDerWaalsContact O-N 3.13Å; I421-N423 VanDerWaalsContact CG2-OD1 3.27Å; I421-N423 WeakPolarHBondContact CG2-OD1 3.4Å; I421-N423 PolarHBondContact O-N 2.92Å
422	L	26.4	Very low	31.2	Very low	140 Å²	140	137.3 Å²	137.3	73%	0.733	73%	0.725	S	S	*	*			trans	-65.5	82.7	163.7	-75.3	170.7	0	0	0	108.7	T420 E424	T420-L422 PolarHBondContact O-N 3.07Å; L422-E424 PolarHBondContact O-N 3.06Å
423	N	29.6	Very low	30.8	Very low	147 Å²	147	139.7 Å²	139.7	79%	0.786	73%	0.73	S	S	*	*			trans	-72.5	69.9	162	-85	-6.9	0	0	0	108.6	I421	I421-N423 VanDerWaalsContact CG2-OD1 3.27Å; I421-N423 WeakPolarHBondContact CG2-OD1 3.4Å; I421-N423 PolarHBondContact O-N 2.92Å
424	E	28.2	Very low	30.4	Very low	155 Å²	155	137.8 Å²	137.8	72%	0.724	73%	0.729	S	S	*	*			trans	-74.7	144.6	162.1	-68.2	-170	146.4	0	0	109.6	L422	L422-E424 PolarHBondContact O-N 3.06Å
425	S	29.1	Very low	29.9	Very low	98 Å²	98	140.6 Å²	140.6	69%	0.685	74%	0.739	S	S	*	*			trans	67.3	139.7	-172.1	84.7	0	0	0	0	114.7
426	N	31	Very low	29.7	Very low	127 Å²	127	143 Å²	143	68%	0.679	74%	0.744	S	S	*	*			cis	-128.7	130.6	9.6	-71.8	-86.3	0	0	0	111.8	N428	N426-N428 VanDerWaalsContact C-N 3.29Å; N426-N428 WeakPolarHBondContact CB-OD1 3.18Å; N426-N428 PolarHBondContact O-N 3.12Å; N426-N428 VanDerWaalsContact O-N 3.08Å
427	Q	29.8	Very low	29.3	Very low	179 Å²	179	140.7 Å²	140.7	84%	0.836	74%	0.744	S	S	*	*			trans	-72.2	89.4	151.9	-76	-176.1	-14.2	0	0	108	H429	Q427-H429 PolarHBondContact O-N 3.35Å
428	N	30.2	Very low	29.2	Very low	137 Å²	137	144.1 Å²	144.1	73%	0.733	76%	0.755	S	S	*	*			trans	-73.1	78.3	169	-80.8	-5.3	0	0	0	109.6	N426 L430	N426-N428 VanDerWaalsContact C-N 3.29Å; N426-N428 WeakPolarHBondContact CB-OD1 3.18Å; N426-N428 PolarHBondContact O-N 3.12Å; N426-N428 VanDerWaalsContact O-N 3.08Å; N428-L430 PolarHBondContact O-N 2.98Å; N428-L430 VanDerWaalsContact O-N 3.14Å
429	H	30.6	Very low	29.1	Very low	153 Å²	153	140.9 Å²	140.9	71%	0.708	76%	0.755	S	S	*	*			trans	-58.3	113.7	163.7	-111.6	-77.9	0	0	0	108.4	Q427 I431	Q427-H429 PolarHBondContact O-N 3.35Å; H429-I431 PolarHBondContact O-N 3.03Å
430	L	26.7	Very low	29.2	Very low	172 Å²	172	142.9 Å²	142.9	90%	0.901	77%	0.765	S	S	*	*			trans	-71.6	74.8	174.9	-77	167.1	0	0	0	110.5	N428 R432	N428-L430 PolarHBondContact O-N 2.98Å; N428-L430 VanDerWaalsContact O-N 3.14Å; L430-R432 PolarHBondContact O-N 3.23Å
431	I	28.3	Very low	29.1	Very low	134 Å²	134	144.5 Å²	144.5	69%	0.687	77%	0.77	S	S	*	*			trans	-78.1	117.5	167.4	-67.4	-179.1	0	0	0	108.2	H429 I433	H429-I431 PolarHBondContact O-N 3.03Å; I431-I433 HydrophobicContact CG2-CD1 4.07Å; I431-I433 HydrophobicContact CG2-CG1 4.14Å; I431-I433 PolarHBondContact O-N 3Å
432	R	24.6	Very low	29.3	Very low	246 Å²	246	142.8 Å²	142.8	93%	0.928	77%	0.77	S	S	*	*			trans	-89.7	87.2	-168.4	-169.5	-172	-163.7	-164.2	6.6	111.2	L430	L430-R432 PolarHBondContact O-N 3.23Å
433	I	27.7	Very low	29.4	Very low	159 Å²	159	142.8 Å²	142.8	82%	0.815	77%	0.771	S	S	*	*			trans	-126.4	129.7	170.2	-55	170.5	0	0	0	107.3	I431	I431-I433 HydrophobicContact CG2-CD1 4.07Å; I431-I433 HydrophobicContact CG2-CG1 4.14Å; I431-I433 PolarHBondContact O-N 3Å
434	G	28.4	Very low	29.4	Very low	59 Å²	59	147 Å²	147	61%	0.608	78%	0.778	S	S	*	*			cis	178.9	173.4	-4.6	0	0	0	0	0	109.6
435	N	25.4	Very low	29.3	Very low	160 Å²	160	144.8 Å²	144.8	86%	0.856	78%	0.779	S	S	*	*			trans	-141.1	117.5	168.5	-96.8	-13.9	0	0	0	109.1
436	N	30.1	Very low	29.4	Very low	144 Å²	144	148 Å²	148	77%	0.77	79%	0.788	S	S	*	*			trans	171.4	113	138.1	-85.7	-11.4	0	0	0	108.4
437	N	30	Very low	29.3	Very low	134 Å²	134	149.1 Å²	149.1	72%	0.717	79%	0.793	S	S	*	*			trans	48.3	114.9	137.3	-48.8	-0.4	0	0	0	116.7
438	D	32.6	Very low	29.2	Very low	159 Å²	159	145.7 Å²	145.7	85%	0.85	79%	0.789	S	S	*	*			cis	-170.3	161.5	48.3	-84.1	-46.8	0	0	0	112.4
439	G	31.1	Very low	29.2	Very low	72 Å²	72	148.6 Å²	148.6	74%	0.742	80%	0.795	S	S	*	*			trans	108.1	100.1	148.5	0	0	0	0	0	120.4
440	L	32.2	Very low	29.3	Very low	168 Å²	168	148.1 Å²	148.1	88%	0.88	80%	0.796	S	S	*	*			trans	68.3	90.9	142.5	-64.8	165.4	0	0	0	121
441	D	29.5	Very low	29.3	Very low	150 Å²	150	147.9 Å²	147.9	80%	0.802	80%	0.796	S	S	*	*			trans	28.4	122.2	131.5	-66.8	-46.4	0	0	0	121.6
442	S	33.7	Very low	29.4	Very low	105 Å²	105	150 Å²	150	73%	0.734	80%	0.803	S	S	*	*				-173.7	129.6	95.8	35.1	0	0	0	0	114.3
443	N	28.4	Very low	29.5	Very low	141 Å²	141	146.2 Å²	146.2	75%	0.754	80%	0.796	S	S	*	*			trans	47.7	100.9	158.6	-60.1	-29.6	0	0	0	119.2
444	Y	29.2	Very low	29.5	Very low	235 Å²	235	147.3 Å²	147.3	92%	0.922	80%	0.802	S	S	*	*				-169.9	104.8	94.3	-101.3	-69.7	0	0	0	110.8
445	S	27.3	Very low	29.5	Very low	108 Å²	108	150.5 Å²	150.5	76%	0.755	81%	0.805	S	S	*	*			trans	-101	121.5	-179	-59.1	0	0	0	0	112.1
446	L	31.2	Very low	29.5	Very low	165 Å²	165	151 Å²	151	86%	0.864	81%	0.806	S	S	*	*			trans	-159.7	76.3	141.5	-103.2	178.2	0	0	0	107.7
447	L	29	Very low	29.3	Very low	151 Å²	151	151.1 Å²	151.1	79%	0.791	81%	0.807	S	S	*	*				76.6	112.8	98	-127.1	75.5	0	0	0	114.4
448	S	26.5	Very low	29.2	Very low	108 Å²	108	152.6 Å²	152.6	76%	0.755	81%	0.809	S	S	*	*			trans	-60.2	139.8	169.9	51.9	0	0	0	0	113.5
449	K	31.1	Very low	29.1	Very low	197 Å²	197	151.4 Å²	151.4	86%	0.857	80%	0.803	S	S	*	*			trans	-168.3	158.9	146.3	-114.3	166.8	-174.4	-179.8	0	111.9
450	I	31.9	Very low	29.1	Very low	144 Å²	144	153.9 Å²	153.9	74%	0.738	81%	0.809	S	S	*	*			trans	75	100.2	170.9	-56.9	152.8	0	0	0	114.7	E452	I450-E452 HydrophobicContact CG2-CB 4.15Å
451	D	26.4	Very low	29	Very low	166 Å²	166	153.1 Å²	153.1	89%	0.888	80%	0.799	S	S	*	*			trans	-66.3	131.7	145.7	-61.8	-83	0	0	0	109.1
452	E	31.4	Very low	29.1	Very low	179 Å²	179	156.6 Å²	156.6	84%	0.836	80%	0.802	S	S	*	*			trans	-153.2	155.1	157.7	-139.5	167.4	-147.5	0	0	112.3	I450 L454	I450-E452 HydrophobicContact CG2-CB 4.15Å; E452-L454 PolarHBondContact O-N 3.12Å
453	Q	26.4	Very low	28.9	Very low	166 Å²	166	156 Å²	156	78%	0.776	80%	0.804	S	S	*	*			trans	-80.8	105.7	-168.8	-62.7	173.1	1	0	0	111.7	N455	Q453-N455 VanDerWaalsContact C-N 3.25Å; Q453-N455 PolarHBondContact O-N 3.13Å
454	L	28.5	Very low	28.9	Very low	182 Å²	182	159.7 Å²	159.7	95%	0.953	81%	0.809	S	S	*	*			trans	-75.3	82.8	166.6	-78.1	178.4	0	0	0	111.1	E452	E452-L454 PolarHBondContact O-N 3.12Å
455	N	27.8	Very low	29	Very low	126 Å²	126	156.4 Å²	156.4	67%	0.674	80%	0.802	S	S	*	*			trans	-53.9	157.1	164.7	-87.8	-61.9	0	0	0	112.2	Q453 N457	Q453-N455 VanDerWaalsContact C-N 3.25Å; Q453-N455 PolarHBondContact O-N 3.13Å; N455-N457 PolarHBondContact O-N 3.39Å
456	I	25.3	Very low	29.2	Very low	170 Å²	170	157 Å²	157	87%	0.872	81%	0.806	S	S	*	*			trans	-50.3	120.3	164.6	-59.8	161.2	0	0	0	108.6
457	N	26.2	Very low	29.4	Very low	147 Å²	147	156.7 Å²	156.7	79%	0.786	80%	0.804	S	S	*	*			trans	-146.1	147	162.9	-145.2	-17.8	0	0	0	113	N455	N455-N457 PolarHBondContact O-N 3.39Å
458	Q	28.5	Very low	29.6	Very low	165 Å²	165	156 Å²	156	77%	0.771	80%	0.797	S	S	*	*			trans	-82.7	139.1	177.3	-58.1	161.6	5.1	0	0	108.3
459	N	28.9	Very low	29.8	Very low	134 Å²	134	161.3 Å²	161.3	72%	0.717	81%	0.807	S	S	*	*			trans	163.8	112.4	142	-91.3	-54.6	0	0	0	111.8
460	S	31.9	Very low	30	Very low	125 Å²	125	157 Å²	157	87%	0.874	80%	0.801	S	S	*	*			trans	-116.2	52	154.4	66.3	0	0	0	0	109.3
461	K	30.6	Very low	30	Very low	151 Å²	151	160.4 Å²	160.4	66%	0.657	81%	0.805	S	S	*	*			trans	-103.6	91.5	-174.9	-175.7	-159.3	175.6	-160.8	0	110.1
462	Y	31.2	Very low	30.2	Very low	224 Å²	224	160.5 Å²	160.5	88%	0.878	80%	0.797	S	S	*	*			trans	-136.4	164.2	172.6	-76.7	-70.7	0	0	0	111.8
463	A	28.7	Very low	30.1	Very low	93 Å²	93	161.6 Å²	161.6	77%	0.769	80%	0.799	S	S	*	*	S	Bend	trans	70.6	47.5	179.6	0	0	0	0	0	117.5
464	Y	30	Very low	30.3	Very low	217 Å²	217	159.7 Å²	159.7	85%	0.851	80%	0.799	S	S	*	*			trans	-151.1	46.6	150.5	-106.9	-65.3	0	0	0	113.7
465	E	30	Very low	30.4	Very low	166 Å²	166	160.7 Å²	160.7	78%	0.776	80%	0.796	S	S	*	*			trans	-123.4	77.7	176.1	-71.5	-169.8	-179	0	0	112.4
466	S	31.4	Very low	30.5	Very low	120 Å²	120	163.3 Å²	163.3	84%	0.839	80%	0.804	S	S	*	*	S	Bend	trans	-151.6	9.8	170.9	-70.6	0	0	0	0	114.6
467	L	34.8	Very low	30.8	Very low	159 Å²	159	162 Å²	162	83%	0.832	81%	0.805	S	S	*	*	S	Bend	trans	-131.1	21.9	-171.6	-98.2	165.5	0	0	0	115.2
468	E	33.8	Very low	31	Very low	138 Å²	138	161.1 Å²	161.1	65%	0.645	80%	0.8	S	S	*	*	S	Bend	trans	-129	-4.1	177.3	-128.7	-173.5	136.3	0	0	115.8	S470 K472	E468-S470 PolarHBondContact O-N 2.8Å; E468-S470 VanDerWaalsContact O-N 3.15Å; E468-K472 IonicContact OE1-NZ 3.85Å; E468-K472 PolarHBondContact OE1-NZ 2.67Å; E468-K472 VanDerWaalsContact OE1-NZ 3.09Å
469	K	31.8	Very low	31.2	Very low	219 Å²	219	160.9 Å²	160.9	95%	0.952	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	12.1	-178.4	-71.8	-173.8	176	177.8	0	115.4
470	S	33.7	Very low	31.3	Very low	105 Å²	105	160.3 Å²	160.3	73%	0.734	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	11.7	-178.6	57	0	0	0	0	114.6	E468	E468-S470 PolarHBondContact O-N 2.8Å; E468-S470 VanDerWaalsContact O-N 3.15Å
471	R	33.5	Very low	31.4	Very low	217 Å²	217	161.3 Å²	161.3	82%	0.819	79%	0.789	S	S	*	*	S	Bend	trans	-136.1	46.4	-178.9	-68.4	-171.3	173.7	-169.3	-1	114.1
472	K	30.7	Very low	31.3	Very low	168 Å²	168	159.3 Å²	159.3	73%	0.73	79%	0.79	S	S	*	*			trans	-152.7	26.8	172.1	-101.6	138.1	-170.5	174.3	0	115.5	E468	E468-K472 IonicContact OE1-NZ 3.85Å; E468-K472 PolarHBondContact OE1-NZ 2.67Å; E468-K472 VanDerWaalsContact OE1-NZ 3.09Å
473	F	29.5	Very low	31.5	Very low	201 Å²	201	154.9 Å²	154.9	88%	0.882	78%	0.781	S	S	*	*			trans	-117.8	135.3	148.6	-76.4	-101.6	0	0	0	104.7
474	T	30.1	Very low	31.6	Very low	127 Å²	127	157.4 Å²	157.4	78%	0.779	78%	0.782	S	S	*	*			cis	-145.3	133.2	23.3	-56.9	0	0	0	0	110.3
475	K	29.2	Very low	31.6	Very low	203 Å²	203	151.9 Å²	151.9	88%	0.883	77%	0.774	S	S	*	*			trans	178.8	90.6	156.6	-107.2	170.5	-176.9	-178.2	0	112.1
476	Q	30.3	Very low	31.7	Very low	180 Å²	180	149.4 Å²	149.4	84%	0.841	77%	0.77	S	S	*	*			trans	173.8	106	138.8	-101.5	177.6	-0.2	0	0	111.5
477	T	33.1	Very low	31.8	Very low	144 Å²	144	150 Å²	150	88%	0.883	76%	0.764	S	S	*	*			trans	-144.1	116.8	149.8	41.7	0	0	0	0	106
478	N	28.6	Very low	31.6	Very low	128 Å²	128	148.3 Å²	148.3	68%	0.684	76%	0.761	S	S	*	*			trans	-79.1	156.7	175.9	-55.8	-50.9	0	0	0	109.6
479	H	32.8	Very low	31.6	Very low	160 Å²	160	147.5 Å²	147.5	74%	0.741	77%	0.765	S	S	*	*				179	131.2	110.7	-92.4	-54.2	0	0	0	114.4
480	N	32.1	Very low	31.5	Very low	122 Å²	122	142 Å²	142	65%	0.652	75%	0.754	S	S	*	*			trans	69.4	137	130.6	-58.1	-1.3	0	0	0	122.8
481	I	33.2	Very low	31.4	Very low	145 Å²	145	142.7 Å²	142.7	74%	0.744	75%	0.754	S	S	*	*			trans	64.7	94.5	145.9	-62.4	161.5	0	0	0	115.2
482	T	29.6	Very low	31.4	Very low	109 Å²	109	137.8 Å²	137.8	67%	0.669	75%	0.748	S	S	*	*				69.5	132.1	64	72.3	0	0	0	0	116.5
483	N	33.7	Very low	31.4	Very low	132 Å²	132	137 Å²	137	71%	0.706	75%	0.751	S	S	*	*			trans	92.1	113.4	159.4	-55.3	-20.3	0	0	0	118.9
484	N	32.1	Very low	31.5	Very low	145 Å²	145	132.2 Å²	132.2	78%	0.775	74%	0.74	S	S	*	*			trans	68.4	153.7	133.5	-58.3	-0.9	0	0	0	118.4
485	C	29.8	Very low	31.3	Very low	101 Å²	101	131.8 Å²	131.8	68%	0.682	74%	0.742	S	S	*	*			cis	-164	179.1	-20.5	-100.1	0	0	0	0	104.9
486	T	32.3	Very low	31.3	Very low	115 Å²	115	126.4 Å²	126.4	71%	0.706	74%	0.735	S	S	*	*			cis	-163.3	-174.9	18.7	-19.4	0	0	0	0	108.7
487	N	34	Very low	31.2	Very low	131 Å²	131	125.9 Å²	125.9	70%	0.701	74%	0.738	S	S	*	*			trans	75.9	97.1	156.9	-60.1	-9.2	0	0	0	116.6
488	T	30.2	Very low	31.2	Very low	125 Å²	125	127.4 Å²	127.4	77%	0.767	73%	0.734	S	S	*	*				78.9	138.9	69.5	64	0	0	0	0	113.5
489	T	34.1	Very low	31.5	Very low	120 Å²	120	127.3 Å²	127.3	74%	0.736	74%	0.741	S	S	*	*			cis	-137.2	152.5	18.2	44.2	0	0	0	0	114.2
490	S	30	Very low	31.4	Very low	103 Å²	103	124.9 Å²	124.9	72%	0.72	74%	0.742	S	S	*	*			trans	24.8	138.5	137.5	-40.8	0	0	0	0	119.9
491	T	30.9	Very low	31.4	Very low	120 Å²	120	126.2 Å²	126.2	74%	0.736	75%	0.749	S	S	*	*				-169.2	109.9	61.1	-60.4	0	0	0	0	113.2
492	T	33.5	Very low	31.3	Very low	114 Å²	114	127.9 Å²	127.9	70%	0.699	76%	0.758	S	S	*	*			trans	71.9	105.1	130.7	-52	0	0	0	0	123.4
493	I	31.1	Very low	31.4	Very low	151 Å²	151	128.4 Å²	128.4	77%	0.774	77%	0.767	S	S	*	*				61.9	135.9	129.2	-63.4	179.6	0	0	0	119.9
494	P	30.9	Very low	31.4	Very low	102 Å²	102	127 Å²	127	66%	0.662	77%	0.773	S	S	*	*			cis	-142.3	172.6	-22.3	39.9	-20.7	0	0	0	116.5
495	S	27	Very low	31.5	Very low	117 Å²	117	128.3 Å²	128.3	82%	0.818	78%	0.775	S	S	*	*			trans	63.2	141.6	146.1	-66.5	0	0	0	0	123
496	A	27.4	Very low	31.6	Very low	90 Å²	90	134 Å²	134	74%	0.744	78%	0.782	S	S	*	*			trans	65.2	98.2	157.9	0	0	0	0	0	119
497	L	29.7	Very low	31.4	Very low	170 Å²	170	140.5 Å²	140.5	89%	0.89	79%	0.793	S	S	*	*				-165.1	136.9	104.8	-123.6	70.8	0	0	0	111
498	H	32.8	Very low	31.3	Very low	175 Å²	175	140.7 Å²	140.7	81%	0.81	79%	0.794	S	S	*	*			trans	-88.7	128.1	166.6	-96.9	-95.5	0	0	0	109.4	S500	H498-S500 PolarHBondContact O-N 3.49Å
499	P	34.1	Very low	31.4	Very low	127 Å²	127	140 Å²	140	83%	0.825	80%	0.795	S	S	*	*			trans	-77.3	107.5	169.5	30.3	-31.6	0	0	0	110.1
500	S	30.6	Very low	31.4	Very low	108 Å²	108	140 Å²	140	76%	0.755	79%	0.794	S	S	*	*			trans	-101	79.2	175.9	-65.7	0	0	0	0	110.9	H498	H498-S500 PolarHBondContact O-N 3.49Å
501	D	31.8	Very low	31.7	Very low	151 Å²	151	141.3 Å²	141.3	81%	0.807	79%	0.794	S	S	*	*			trans	-161.8	96.2	170.5	-108.7	-34.1	0	0	0	112.1
502	L	31.9	Very low	32.1	Very low	179 Å²	179	143 Å²	143	94%	0.937	79%	0.793	S	S	*	*			trans	-170.2	62.9	155	-135.1	75.7	0	0	0	114.7
503	S	32.6	Very low	32.8	Very low	121 Å²	121	142 Å²	142	85%	0.846	78%	0.783	S	S	*	*			trans	-155.9	33.9	171.6	51.8	0	0	0	0	115.6	Q505	S503-Q505 PolarHBondContact O-N 2.91Å
504	A	32.8	Very low	34	Very low	101 Å²	101	141.4 Å²	141.4	84%	0.835	78%	0.782	S	S	*	*			trans	-95.6	47.5	-177.7	0	0	0	0	0	114.9
505	Q	34.6	Very low	36.1	Very low	174 Å²	174	140 Å²	140	81%	0.813	78%	0.775	S	S	*	*	S	Bend	trans	-139	143.9	168.7	-75.4	-170	-3.6	0	0	111.9	S503	S503-Q505 PolarHBondContact O-N 2.91Å
506	R	30.7	Very low	38.9	Very low	221 Å²	221	137 Å²	137	83%	0.834	75%	0.746	S	S	*	*			trans	61.9	76.5	177.9	-54.3	-175	-169.9	178	3	116
507	R	28.9	Very low	41.9	Very low	251 Å²	251	137.9 Å²	137.9	95%	0.947	73%	0.73	S	S	*	*			trans	-91.1	84.7	144.9	-84.8	-174	-90.8	162.1	-8	108.6	S509	R507-S509 PolarHBondContact O-N 2.84Å
508	D	31.9	Very low	44.9	Very low	134 Å²	134	135 Å²	135	72%	0.717	71%	0.71	S	S	*	*			trans	-64.7	125.7	165.7	-79.6	-48.8	0	0	0	108.6	T510	D508-T510 VanDerWaalsContact C-N 3.27Å; D508-T510 PolarHBondContact O-N 2.97Å
509	S	33	Very low	47.8	Very low	112 Å²	112	127.7 Å²	127.7	78%	0.783	68%	0.678	S	S	*	*			trans	-81.5	65.8	-170.5	59.2	0	0	0	0	112.6	R507 N511	R507-S509 PolarHBondContact O-N 2.84Å; S509-N511 VanDerWaalsContact C-N 3.29Å; S509-N511 PolarHBondContact O-N 3.39Å; S509-N511 VanDerWaalsContact O-N 3.12Å
510	T	34.4	Very low	50.6	Low	119 Å²	119	123.9 Å²	123.9	73%	0.73	65%	0.652	S	S	*	*			trans	-82.5	73.9	168.6	55.3	0	0	0	0	110.6	D508 Q512	D508-T510 VanDerWaalsContact C-N 3.27Å; D508-T510 PolarHBondContact O-N 2.97Å; T510-Q512 PolarHBondContact O-N 3.15Å
511	N	35.5	Very low	53.6	Low	131 Å²	131	118.8 Å²	118.8	70%	0.701	62%	0.616	S	S	*	*			trans	-65.2	105.4	164.9	-75.9	-1.1	0	0	0	108.4	S509 D513	S509-N511 VanDerWaalsContact C-N 3.29Å; S509-N511 PolarHBondContact O-N 3.39Å; S509-N511 VanDerWaalsContact O-N 3.12Å; N511-D513 VanDerWaalsContact C-N 3.29Å; N511-D513 PolarHBondContact O-N 3.48Å
512	Q	40	Very low	56.3	Low	155 Å²	155	118.5 Å²	118.5	72%	0.724	61%	0.61	S	S	*	*			trans	-74.3	84.3	167.7	-85.5	-173.2	-118.8	0	0	109.9	T510 D514	T510-Q512 PolarHBondContact O-N 3.15Å; Q512-D514 VanDerWaalsContact C-N 3.26Å; Q512-D514 PolarHBondContact NE2-OD1 2.97Å; Q512-D514 PolarHBondContact O-N 2.93Å; Q512-D514 VanDerWaalsContact O-N 3.07Å
513	D	47.7	Very low	58.8	Low	93 Å²	93	112 Å²	112	50%	0.497	57%	0.573	S	S	.	*			trans	-68.8	90.7	151.9	-75.2	-42.2	0	0	0	107.7	N511 S515 Y516	N511-D513 VanDerWaalsContact C-N 3.29Å; N511-D513 PolarHBondContact O-N 3.48Å; D513-S515 PolarHBondContact O-N 2.97Å; D513-Y516 HydrophobicContact CB-CD1 4.25Å; D513-Y516 HydrophobicContact CB-CE1 3.61Å; D513-Y516 PolarHBondContact O-N 3.15Å
514	D	56.4	Low	61	Low	138 Å²	138	115.1 Å²	115.1	74%	0.738	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	7.9	179.8	-78	-20.4	0	0	0	114.3	Q512	Q512-D514 VanDerWaalsContact C-N 3.26Å; Q512-D514 PolarHBondContact NE2-OD1 2.97Å; Q512-D514 PolarHBondContact O-N 2.93Å; Q512-D514 VanDerWaalsContact O-N 3.07Å
515	S	74.8	Confident	63.2	Low	74 Å²	74	113.8 Å²	113.8	52%	0.517	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.9	-18.9	173.8	70.4	0	0	0	0	114.8	D513	D513-S515 PolarHBondContact O-N 2.97Å
516	Y	85.2	Confident	65.3	Low	53 Å²	53	109.1 Å²	109.1	21%	0.208	54%	0.536	C	S	.	.	S	Bend	trans	-132.3	146.7	-179.1	57.1	-108.1	0	0	0	113.6	D513 R568 Y596	D513-Y516 HydrophobicContact CB-CD1 4.25Å; D513-Y516 HydrophobicContact CB-CE1 3.61Å; D513-Y516 PolarHBondContact O-N 3.15Å; Y516-R568 PolarHBondContact OH-NH1 3.13Å; Y516-R568 VanDerWaalsContact OH-NH1 3.1Å; Y516-Y596 AromaticContact CD2-CD1 3.96Å; Y516-Y596 HydrophobicContact CD2-CD1 3.96Å; Y516-Y596 AromaticContact CE2-CD1 3.78Å; Y516-Y596 HydrophobicContact CE2-CD1 3.78Å; Y516-Y596 HydrophobicContact CE2-CE1 4.4Å
517	R	90.3	Very high	67.5	Low	108 Å²	108	102.8 Å²	102.8	41%	0.408	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	145.2	175.5	-60.4	-174.1	-178.9	-163	-11.7	110	Y596 Y597 N693	R517-Y596 CarbonylContact O-C 3.57Å; R517-Y596 WeakPolarHBondContact O-CA 3.46Å; R517-Y597 HydrophobicContact CB-CD1 4.12Å; R517-Y597 HydrophobicContact CB-CE1 3.61Å; R517-Y597 HydrophobicContact CB-CE2 4.31Å; R517-Y597 PolarHBondContact N-O 3.39Å; R517-Y597 WeakPolarHBondContact O-CD1 3.48Å; R517-Y597 PolarHBondContact O-N 3.42Å; R517-N693 PolarHBondContact NH2-OD1 3.22Å
518	K	92.7	Very high	70.1	Confident	109 Å²	109	93.7 Å²	93.7	47%	0.474	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.2	170.2	-175.2	175	-175.4	162	0	109.8	L595 Y596	K518-L595 CarbonylContact C-O 3.59Å; K518-L595 WeakPolarHBondContact CA-O 3.43Å; K518-Y596 HydrophobicContact CB-CD1 4.07Å; K518-Y596 HydrophobicContact CB-CE1 4.13Å; K518-Y596 HydrophobicContact CD-CD1 4.36Å; K518-Y596 HydrophobicContact CD-CE1 3.62Å; K518-Y596 WeakPolarHBondContact CE-OH 3.49Å; K518-Y596 HydrophobicContact CG-CD1 4.17Å; K518-Y596 HydrophobicContact CG-CE1 3.93Å; K518-Y596 PolarHBondContact NZ-OH 2.91Å
519	V	93.6	Very high	72.8	Confident	22 Å²	22	92.2 Å²	92.2	13%	0.133	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	157.8	169.5	72.2	0	0	0	0	111.5	A558 L560 Y594 L595 Y597	V519-A558 HydrophobicContact CG1-CB 4.46Å; V519-A558 HydrophobicContact CG2-CB 3.61Å; V519-A558 WeakPolarHBondContact CG2-O 3.29Å; V519-L560 HydrophobicContact CG1-CD1 4.26Å; V519-L560 HydrophobicContact CG1-CD2 3.98Å; V519-L560 HydrophobicContact CG1-CG 4.21Å; V519-Y594 WeakPolarHBondContact O-CA 3.31Å; V519-L595 HydrophobicContact CG1-CB 4.02Å; V519-L595 PolarHBondContact N-O 3.41Å; V519-L595 PolarHBondContact O-N 2.93Å; V519-Y597 HydrophobicContact CB-CE1 4.04Å; V519-Y597 HydrophobicContact CG1-CD1 4.11Å; V519-Y597 HydrophobicContact CG1-CE1 3.87Å
520	V	94.2	Very high	75.6	Confident	48 Å²	48	87.4 Å²	87.4	29%	0.291	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.6	179.6	-166.6	0	0	0	0	108.9	Q522 P592 Y594	V520-Q522 HydrophobicContact CG1-CG 4.44Å; V520-P592 HydrophobicContact CG1-CB 3.78Å; V520-Y594 HydrophobicContact CB-CD1 4.44Å; V520-Y594 HydrophobicContact CG1-CD1 4.13Å; V520-Y594 HydrophobicContact CG1-CE1 3.93Å; V520-Y594 HydrophobicContact CG2-CD1 3.76Å; V520-Y594 HydrophobicContact CG2-CE1 3.8Å
521	L	93	Very high	78.3	Confident	1 Å²	1	82 Å²	82	1%	0.005	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.9	173.1	-63.3	164.3	0	0	0	109.2	F530 M532 P554 A558 L560 P592 L593 L595	L521-F530 HydrophobicContact CB-CD1 3.73Å; L521-F530 HydrophobicContact CB-CE1 3.95Å; L521-F530 HydrophobicContact CD1-CB 4.47Å; L521-F530 HydrophobicContact CD1-CD1 4.31Å; L521-F530 HydrophobicContact CD1-CG 4.49Å; L521-M532 HydrophobicContact CD1-CE 3.61Å; L521-M532 HydrophobicContact CD2-CE 4.48Å; L521-P554 VanDerWaalsContact CD2-C 3.48Å; L521-P554 HydrophobicContact CD2-CB 4.18Å; L521-P554 VanDerWaalsContact CD2-O 3.26Å; L521-P554 WeakPolarHBondContact CD2-O 3.31Å; L521-A558 HydrophobicContact CD2-CB 3.5Å; L521-L560 HydrophobicContact CD2-CD1 4.33Å; L521-P592 WeakPolarHBondContact O-CA 3.29Å; L521-L593 HydrophobicContact CB-CB 4.21Å; L521-L593 HydrophobicContact CD1-CD2 4.01Å; L521-L593 HydrophobicContact CD1-CG 4.45Å; L521-L593 PolarHBondContact N-O 3.03Å; L521-L593 PolarHBondContact O-N 2.87Å; L521-L595 HydrophobicContact CD1-CD1 3.48Å; L521-L595 VanDerWaalsContact CD1-CD1 3.48Å; L521-L595 HydrophobicContact CD1-CG 3.77Å
522	Q	88.2	Confident	81	Confident	145 Å²	145	76.3 Å²	76.3	68%	0.678	38%	0.378	S	S	*	.			trans	-114.9	148.7	171.3	-61.8	-174.9	6.1	0	0	109	V520 P554 P592	V520-Q522 HydrophobicContact CG1-CG 4.44Å; Q522-P554 VanDerWaalsContact O-CB 3.29Å; Q522-P554 WeakPolarHBondContact O-CB 3.16Å; Q522-P554 VanDerWaalsContact O-CG 3.31Å; Q522-P554 WeakPolarHBondContact O-CG 3.26Å; Q522-P592 HydrophobicContact CG-CB 4.45Å
523	R	85.7	Confident	83.4	Confident	41 Å²	41	73.3 Å²	73.3	16%	0.155	36%	0.36	C	S	.	.			trans	-134.1	145.3	179.2	59	-178.4	179.9	149.9	2.3	108.8	D525 T526 E528 F530 P554 S589	R523-D525 WeakPolarHBondContact CD-O 3.37Å; R523-T526 VanDerWaalsContact NH1-C 3.32Å; R523-T526 PolarHBondContact NH1-O 2.9Å; R523-E528 HydrophobicContact CB-CB 4.26Å; R523-E528 PolarHBondContact NH1-O 2.74Å; R523-F530 HydrophobicContact CB-CE1 4.24Å; R523-F530 HydrophobicContact CG-CE1 3.98Å; R523-F530 HydrophobicContact CG-CZ 4.29Å; R523-P554 HydrophobicContact CB-CG 4.49Å; R523-S589 PolarHBondContact NH2-O 2.74Å
524	H	78.7	Confident	85.5	Confident	187 Å²	187	69.1 Å²	69.1	87%	0.866	34%	0.337	S	S	*	.	S	Bend	trans	-77.9	-28.6	-175.7	-65.6	-78.6	0	0	0	112.2	E528	H524-E528 IonicContact CD2-OE2 2.74Å; H524-E528 PolarHBondContact N-OE2 2.86Å
525	D	79.1	Confident	87	Confident	74 Å²	74	65.5 Å²	65.5	40%	0.396	32%	0.316	S	S	.	.	S	Bend	trans	-131.8	147.2	172	-176.1	2.7	0	0	0	111.2	R523 T527 E528	R523-D525 WeakPolarHBondContact CD-O 3.37Å; D525-T527 VanDerWaalsContact CG-N 3.32Å; D525-T527 PolarHBondContact O-N 3.25Å; D525-T527 PolarHBondContact OD1-N 2.67Å; D525-T527 WeakPolarHBondContact OD2-CB 3.45Å; D525-T527 WeakPolarHBondContact OD2-CG2 3.46Å; D525-T527 PolarHBondContact OD2-OG1 2.85Å; D525-E528 HydrophobicContact CB-CB 4.44Å; D525-E528 WeakPolarHBondContact O-CB 3.43Å; D525-E528 PolarHBondContact O-N 3.47Å
526	T	77.1	Confident	87.7	Confident	75 Å²	75	63.6 Å²	63.6	46%	0.46	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-21.7	163.7	65.3	0	0	0	0	114.7	R523 I590	R523-T526 VanDerWaalsContact NH1-C 3.32Å; R523-T526 PolarHBondContact NH1-O 2.9Å; T526-I590 HydrophobicContact CG2-CG2 4.07Å
527	T	78	Confident	87.5	Confident	89 Å²	89	63 Å²	63	55%	0.546	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-18.4	171	77.7	0	0	0	0	113.5	D525	D525-T527 VanDerWaalsContact CG-N 3.32Å; D525-T527 PolarHBondContact O-N 3.25Å; D525-T527 PolarHBondContact OD1-N 2.67Å; D525-T527 WeakPolarHBondContact OD2-CB 3.45Å; D525-T527 WeakPolarHBondContact OD2-CG2 3.46Å; D525-T527 PolarHBondContact OD2-OG1 2.85Å
528	E	83.9	Confident	86.7	Confident	59 Å²	59	65.1 Å²	65.1	28%	0.276	31%	0.311	S	S	.	.	S	Bend	trans	-70.9	144.1	-179.2	-164.3	-170.3	171.7	0	0	111.3	R523 H524 D525	R523-E528 HydrophobicContact CB-CB 4.26Å; R523-E528 PolarHBondContact NH1-O 2.74Å; H524-E528 IonicContact CD2-OE2 2.74Å; H524-E528 PolarHBondContact N-OE2 2.86Å; D525-E528 HydrophobicContact CB-CB 4.44Å; D525-E528 WeakPolarHBondContact O-CB 3.43Å; D525-E528 PolarHBondContact O-N 3.47Å
529	R	87	Confident	85.5	Confident	104 Å²	104	61.8 Å²	61.8	39%	0.392	31%	0.308	S	S	.	.			trans	-90.3	134.1	177.1	-50.3	176.1	179	-97.3	13.5	109	L64 L65 G531	L64-R529 PolarHBondContact O-NH1 3.05Å; L65-R529 WeakPolarHBondContact O-CG 3.5Å; L65-R529 PolarHBondContact O-NH1 3.16Å; R529-G531 PolarHBondContact O-N 3.21Å
530	F	92.1	Very high	84.6	Confident	10 Å²	10	69.5 Å²	69.5	4%	0.044	35%	0.346	C	S	.	.			trans	-58.1	-16.6	170.6	-63.4	-69.9	0	0	0	114	L521 R523 P554 A555 I586 L593	L521-F530 HydrophobicContact CB-CD1 3.73Å; L521-F530 HydrophobicContact CB-CE1 3.95Å; L521-F530 HydrophobicContact CD1-CB 4.47Å; L521-F530 HydrophobicContact CD1-CD1 4.31Å; L521-F530 HydrophobicContact CD1-CG 4.49Å; R523-F530 HydrophobicContact CB-CE1 4.24Å; R523-F530 HydrophobicContact CG-CE1 3.98Å; R523-F530 HydrophobicContact CG-CZ 4.29Å; F530-P554 HydrophobicContact CD1-CB 4.35Å; F530-A555 WeakPolarHBondContact O-CB 3.23Å; F530-A555 PolarHBondContact O-N 3.17Å; F530-I586 HydrophobicContact CD2-CG2 3.86Å; F530-I586 HydrophobicContact CE2-CG2 4.23Å; F530-L593 HydrophobicContact CD1-CD2 4.46Å; F530-L593 HydrophobicContact CD2-CD2 3.77Å; F530-L593 HydrophobicContact CE1-CB 3.93Å; F530-L593 HydrophobicContact CE1-CD2 4.32Å; F530-L593 HydrophobicContact CE2-CB 4.28Å; F530-L593 HydrophobicContact CE2-CD2 3.63Å; F530-L593 HydrophobicContact CG-CD2 4.19Å; F530-L593 HydrophobicContact CZ-CB 3.7Å; F530-L593 HydrophobicContact CZ-CD2 3.91Å; F530-L593 HydrophobicContact CZ-CG 4.44Å
531	G	91	Very high	83.4	Confident	7 Å²	7	77.5 Å²	77.5	7%	0.072	37%	0.371	C	S	.	.			trans	82.9	20.9	169.2	0	0	0	0	0	115.7	R529 I549 L550	R529-G531 PolarHBondContact O-N 3.21Å; G531-I549 CarbonylContact O-C 3.49Å; G531-I549 WeakPolarHBondContact O-CA 3.46Å; G531-L550 PolarHBondContact O-N 3.33Å
532	M	92.5	Very high	82.8	Confident	10 Å²	10	82.7 Å²	82.7	5%	0.049	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	156.3	172.4	61.5	177.4	62.5	0	0	112.5	L521 L534 I546 M548 A555 L560 L595	L521-M532 HydrophobicContact CD1-CE 3.61Å; L521-M532 HydrophobicContact CD2-CE 4.48Å; M532-L534 HydrophobicContact SD-CD2 3.94Å; M532-L534 HydrophobicContact SD-CG 4.5Å; M532-I546 HydrophobicContact CB-CG2 4.32Å; M532-M548 CarbonylContact C-O 3.5Å; M532-M548 WeakPolarHBondContact CA-O 3.33Å; M532-A555 HydrophobicContact CB-CB 3.96Å; M532-A555 HydrophobicContact CE-CB 3.59Å; M532-L560 HydrophobicContact CE-CD1 3.4Å; M532-L560 VanDerWaalsContact CE-CD1 3.4Å; M532-L595 HydrophobicContact CE-CD1 3.58Å; M532-L595 HydrophobicContact SD-CD1 3.92Å
533	R	89.9	Confident	82.6	Confident	92 Å²	92	77 Å²	77	35%	0.347	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.1	165.6	-179.8	177.9	168.7	149.9	-9	107.9	E535 I546 A547 M548	R533-E535 IonicContact CZ-OE1 2.67Å; R533-E535 IonicContact NE-OE1 3.12Å; R533-E535 PolarHBondContact NE-OE1 3.47Å; R533-E535 IonicContact NH2-OE1 3.91Å; R533-E535 PolarHBondContact NH2-OE1 2.82Å; R533-I546 CarbonylContact O-C 3.58Å; R533-A547 HydrophobicContact CG-CB 4.34Å; R533-A547 PolarHBondContact O-N 2.89Å; R533-M548 HydrophobicContact CB-CB 3.87Å; R533-M548 PolarHBondContact N-O 3.09Å; R533-M548 PolarHBondContact O-N 3.17Å
534	L	92.2	Very high	82.9	Confident	6 Å²	6	75 Å²	75	3%	0.031	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	142.5	172.6	-52.1	178.2	0	0	0	109.7	M532 T544 Y545 I546 L566 L579 L582 L583 I586	M532-L534 HydrophobicContact SD-CD2 3.94Å; M532-L534 HydrophobicContact SD-CG 4.5Å; L534-T544 HydrophobicContact CB-CG2 4.21Å; L534-T544 HydrophobicContact CD1-CG2 4.32Å; L534-Y545 VanDerWaalsContact CA-O 3.32Å; L534-Y545 WeakPolarHBondContact CA-O 3.27Å; L534-I546 HydrophobicContact CD2-CB 4.43Å; L534-I546 HydrophobicContact CD2-CG1 3.79Å; L534-L566 HydrophobicContact CD1-CD2 3.52Å; L534-L566 HydrophobicContact CD2-CD2 4.01Å; L534-L566 HydrophobicContact CG-CD2 4.43Å; L534-L579 HydrophobicContact CB-CD1 4.24Å; L534-L582 HydrophobicContact CD1-CD2 4.24Å; L534-L583 HydrophobicContact CB-CD2 4Å; L534-L583 HydrophobicContact CD1-CD2 4.09Å; L534-L583 HydrophobicContact CG-CD2 4.25Å; L534-I586 HydrophobicContact CD1-CD1 3.66Å
535	E	88.5	Confident	83.4	Confident	61 Å²	61	69.3 Å²	69.3	29%	0.285	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	177.6	170.8	-68.9	-169.9	-171.2	0	0	110.6	R533 T544 Y545 A547	R533-E535 IonicContact CZ-OE1 2.67Å; R533-E535 IonicContact NE-OE1 3.12Å; R533-E535 PolarHBondContact NE-OE1 3.47Å; R533-E535 IonicContact NH2-OE1 3.91Å; R533-E535 PolarHBondContact NH2-OE1 2.82Å; E535-T544 WeakPolarHBondContact O-CA 3.31Å; E535-Y545 HydrophobicContact CB-CE1 4.1Å; E535-Y545 HydrophobicContact CB-CE2 4.13Å; E535-Y545 PolarHBondContact N-O 3.47Å; E535-Y545 PolarHBondContact O-N 3.04Å; E535-A547 HydrophobicContact CB-CB 3.99Å; E535-A547 HydrophobicContact CG-CB 3.66Å
536	R	88	Confident	84	Confident	35 Å²	35	65.8 Å²	65.8	13%	0.132	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.3	178	-76	-174.4	-179.9	172.5	5.2	112.7	V543 T544 T574 M577 L579	R536-V543 VanDerWaalsContact CA-O 3.24Å; R536-V543 WeakPolarHBondContact CA-O 3.43Å; R536-T544 HydrophobicContact CG-CG2 4.5Å; R536-T544 PolarHBondContact NE-OG1 3.49Å; R536-T574 PolarHBondContact NH2-O 3.46Å; R536-M577 PolarHBondContact NH1-O 2.9Å; R536-M577 PolarHBondContact NH2-O 2.8Å; R536-L579 HydrophobicContact CG-CD1 4.4Å; R536-L579 HydrophobicContact CG-CD2 4.34Å
537	T	80.9	Confident	84.4	Confident	39 Å²	39	63.5 Å²	63.5	24%	0.239	30%	0.304	C	S	.	.			trans	-66.8	148.1	174.1	60.8	0	0	0	0	111.2	G539 R541 V543 Y545	T537-G539 PolarHBondContact O-N 3Å; T537-G539 VanDerWaalsContact O-N 3.13Å; T537-R541 PolarHBondContact OG1-O 3.3Å; T537-V543 HydrophobicContact CG2-CB 4.13Å; T537-V543 PolarHBondContact N-O 3.39Å; T537-V543 PolarHBondContact OG1-N 2.92Å; T537-Y545 HydrophobicContact CG2-CD1 3.97Å; T537-Y545 HydrophobicContact CG2-CE1 3.94Å
538	K	73.9	Confident	84.7	Confident	154 Å²	154	63.3 Å²	63.3	67%	0.67	30%	0.298	S	S	*	.	S	Bend	trans	-88.1	57.6	176.9	-60.2	-173.2	-163.6	71.7	0	111.2	E410	E410-K538 IonicContact OE1-NZ 2.74Å; E410-K538 PolarHBondContact OE1-NZ 2.77Å
539	G	69.1	Low	85	Confident	38 Å²	38	62 Å²	62	39%	0.392	29%	0.292	S	S	.	.	S	Bend	trans	-115.2	170.5	-178.5	0	0	0	0	0	113.8	T537 R541	T537-G539 PolarHBondContact O-N 3Å; T537-G539 VanDerWaalsContact O-N 3.13Å; G539-R541 PolarHBondContact O-N 3.03Å
540	I	73.1	Confident	85	Confident	184 Å²	184	59.9 Å²	59.9	94%	0.944	29%	0.289	S	S	*	.	S	Bend	trans	-59.6	-38.9	166.7	-59.9	170.9	0	0	0	109.7
541	R	69.8	Low	84.7	Confident	217 Å²	217	64.3 Å²	64.3	82%	0.819	32%	0.318	S	S	*	.	S	Bend	trans	-94	106.1	165.2	-63.8	179.6	179.4	178.4	-0.5	107.8	T537 G539 V543	T537-R541 PolarHBondContact OG1-O 3.3Å; G539-R541 PolarHBondContact O-N 3.03Å; R541-V543 PolarHBondContact O-N 3.36Å
542	Q	80.1	Confident	84.6	Confident	109 Å²	109	72.8 Å²	72.8	51%	0.509	35%	0.354	S	S	.	.			trans	-76.3	101.5	174.7	-68.1	-174.2	17.8	0	0	109.6
543	V	84.6	Confident	84.6	Confident	25 Å²	25	72.8 Å²	72.8	15%	0.152	36%	0.355	C	S	.	.			trans	-91.3	128.9	179.9	171.3	0	0	0	0	109.7	R536 T537 R541 R565	R536-V543 VanDerWaalsContact CA-O 3.24Å; R536-V543 WeakPolarHBondContact CA-O 3.43Å; T537-V543 HydrophobicContact CG2-CB 4.13Å; T537-V543 PolarHBondContact N-O 3.39Å; T537-V543 PolarHBondContact OG1-N 2.92Å; R541-V543 PolarHBondContact O-N 3.36Å; V543-R565 HydrophobicContact CG1-CB 4.38Å; V543-R565 VanDerWaalsContact CG1-CD 3.49Å; V543-R565 HydrophobicContact CG1-CG 3.59Å
544	T	90.7	Very high	84.7	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130.5	174.2	-52.5	0	0	0	0	110.6	L534 E535 R536 L566 T574 L579 L582	L534-T544 HydrophobicContact CB-CG2 4.21Å; L534-T544 HydrophobicContact CD1-CG2 4.32Å; E535-T544 WeakPolarHBondContact O-CA 3.31Å; R536-T544 HydrophobicContact CG-CG2 4.5Å; R536-T544 PolarHBondContact NE-OG1 3.49Å; T544-L566 HydrophobicContact CG2-CB 4.28Å; T544-L566 PolarHBondContact O-N 2.86Å; T544-T574 HydrophobicContact CG2-CG2 4.47Å; T544-L579 HydrophobicContact CG2-CD1 4.48Å; T544-L582 HydrophobicContact CG2-CD2 4.09Å
545	Y	90.4	Very high	84.8	Confident	67 Å²	67	68.7 Å²	68.7	26%	0.263	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	159.5	-179.6	67.7	-89.7	0	0	0	112.6	L534 E535 T537 A547 D564	L534-Y545 VanDerWaalsContact CA-O 3.32Å; L534-Y545 WeakPolarHBondContact CA-O 3.27Å; E535-Y545 HydrophobicContact CB-CE1 4.1Å; E535-Y545 HydrophobicContact CB-CE2 4.13Å; E535-Y545 PolarHBondContact N-O 3.47Å; E535-Y545 PolarHBondContact O-N 3.04Å; T537-Y545 HydrophobicContact CG2-CD1 3.97Å; T537-Y545 HydrophobicContact CG2-CE1 3.94Å; Y545-A547 HydrophobicContact CD2-CB 4.42Å; Y545-A547 HydrophobicContact CE2-CB 3.9Å; Y545-A547 PolarHBondContact O-N 3.37Å; Y545-D564 CarbonylContact C-O 3.59Å; Y545-D564 VanDerWaalsContact CA-O 3.29Å; Y545-D564 WeakPolarHBondContact CA-O 3.39Å
546	I	90.5	Very high	84.9	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.005	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	109.2	177.2	-54.8	-179.1	0	0	0	109.8	M532 R533 L534 I549 L560 V562 G563 D564	M532-I546 HydrophobicContact CB-CG2 4.32Å; R533-I546 CarbonylContact O-C 3.58Å; L534-I546 HydrophobicContact CD2-CB 4.43Å; L534-I546 HydrophobicContact CD2-CG1 3.79Å; I546-I549 HydrophobicContact CG2-CD1 3.95Å; I546-I549 HydrophobicContact CG2-CG1 3.56Å; I546-L560 HydrophobicContact CD1-CB 3.91Å; I546-L560 HydrophobicContact CD1-CD1 4.02Å; I546-L560 HydrophobicContact CD1-CD2 4.01Å; I546-L560 HydrophobicContact CD1-CG 4.21Å; I546-V562 CarbonylContact O-C 3.56Å; I546-G563 PolarHBondContact O-N 2.89Å; I546-D564 HydrophobicContact CD1-CB 4.2Å; I546-D564 PolarHBondContact N-O 2.89Å
547	A	86.4	Confident	85.1	Confident	27 Å²	27	75.7 Å²	75.7	22%	0.223	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-22.3	-178.1	0	0	0	0	0	114.1	R533 E535 Y545	R533-A547 HydrophobicContact CG-CB 4.34Å; R533-A547 PolarHBondContact O-N 2.89Å; E535-A547 HydrophobicContact CB-CB 3.99Å; E535-A547 HydrophobicContact CG-CB 3.66Å; Y545-A547 HydrophobicContact CD2-CB 4.42Å; Y545-A547 HydrophobicContact CE2-CB 3.9Å; Y545-A547 PolarHBondContact O-N 3.37Å
548	M	83.4	Confident	85.5	Confident	84 Å²	84	74.9 Å²	74.9	41%	0.414	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	146	179.3	-175.4	-174.9	-75.3	0	0	110.2	M532 R533 L550	M532-M548 CarbonylContact C-O 3.5Å; M532-M548 WeakPolarHBondContact CA-O 3.33Å; R533-M548 HydrophobicContact CB-CB 3.87Å; R533-M548 PolarHBondContact N-O 3.09Å; R533-M548 PolarHBondContact O-N 3.17Å; M548-L550 HydrophobicContact SD-CD2 4.38Å
549	I	90.3	Very high	86.2	Confident	31 Å²	31	69.7 Å²	69.7	16%	0.159	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.7	170.9	-62.6	178.2	0	0	0	108.1	G531 I546 A555 Q556 L560 V562	G531-I549 CarbonylContact O-C 3.49Å; G531-I549 WeakPolarHBondContact O-CA 3.46Å; I546-I549 HydrophobicContact CG2-CD1 3.95Å; I546-I549 HydrophobicContact CG2-CG1 3.56Å; I549-A555 HydrophobicContact CG2-CB 3.98Å; I549-Q556 HydrophobicContact CG2-CB 3.79Å; I549-Q556 HydrophobicContact CG2-CG 4.41Å; I549-L560 HydrophobicContact CD1-CB 3.79Å; I549-L560 WeakPolarHBondContact CD1-O 3.11Å; I549-V562 HydrophobicContact CG1-CG2 4.35Å
550	L	86.9	Confident	87.3	Confident	60 Å²	60	68.2 Å²	68.2	31%	0.314	35%	0.349	S	S	.	.			trans	-86.3	142.2	178.1	-63.1	-178.7	0	0	0	111	G531 M548 S553	G531-L550 PolarHBondContact O-N 3.33Å; M548-L550 HydrophobicContact SD-CD2 4.38Å; L550-S553 WeakPolarHBondContact O-CB 3.33Å; L550-S553 PolarHBondContact O-N 2.96Å; L550-S553 PolarHBondContact O-OG 2.94Å
551	P	87.5	Confident	87.9	Confident	103 Å²	103	63.7 Å²	63.7	67%	0.669	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	144.3	177.6	26.9	-34.7	0	0	0	111.6	S553 Q556	P551-S553 PolarHBondContact O-N 2.74Å; P551-S553 VanDerWaalsContact O-N 3.12Å; P551-Q556 VanDerWaalsContact CA-OE1 3.3Å
552	K	88.9	Confident	88.7	Confident	186 Å²	186	56.3 Å²	56.3	81%	0.809	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	12.8	-178.3	-53.4	-177.3	-178.8	-179.5	0	115.3
553	S	91.3	Very high	88.8	Confident	10 Å²	10	52 Å²	52	7%	0.07	29%	0.285	C	S	.	.	S	Bend	trans	-83.9	161.4	179	69.3	0	0	0	0	113.2	L550 P551 A555 Q556 L557	L550-S553 WeakPolarHBondContact O-CB 3.33Å; L550-S553 PolarHBondContact O-N 2.96Å; L550-S553 PolarHBondContact O-OG 2.94Å; P551-S553 PolarHBondContact O-N 2.74Å; P551-S553 VanDerWaalsContact O-N 3.12Å; S553-A555 PolarHBondContact O-N 3.12Å; S553-A555 VanDerWaalsContact O-N 3.15Å; S553-Q556 PolarHBondContact O-N 2.76Å; S553-Q556 PolarHBondContact OG-N 2.76Å; S553-L557 WeakPolarHBondContact O-CG 3.43Å; S553-L557 PolarHBondContact O-N 3.27Å
554	P	93.3	Very high	89.1	Confident	12 Å²	12	51 Å²	51	8%	0.078	28%	0.279	C	S	.	.	H	α-helix	trans	-48.3	-39.8	171.2	-32.6	38.2	0	0	0	114	L521 Q522 R523 F530 Q556 L557 A558	L521-P554 VanDerWaalsContact CD2-C 3.48Å; L521-P554 HydrophobicContact CD2-CB 4.18Å; L521-P554 VanDerWaalsContact CD2-O 3.26Å; L521-P554 WeakPolarHBondContact CD2-O 3.31Å; Q522-P554 VanDerWaalsContact O-CB 3.29Å; Q522-P554 WeakPolarHBondContact O-CB 3.16Å; Q522-P554 VanDerWaalsContact O-CG 3.31Å; Q522-P554 WeakPolarHBondContact O-CG 3.26Å; R523-P554 HydrophobicContact CB-CG 4.49Å; F530-P554 HydrophobicContact CD1-CB 4.35Å; P554-Q556 PolarHBondContact O-N 2.93Å; P554-L557 PolarHBondContact O-N 3.26Å; P554-A558 VanDerWaalsContact O-CB 3.25Å; P554-A558 WeakPolarHBondContact O-CB 3.25Å; P554-A558 PolarHBondContact O-N 2.85Å
555	A	93.3	Very high	89	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62	-39.7	176.9	0	0	0	0	0	113.3	F530 M532 I549 S553 L560	F530-A555 WeakPolarHBondContact O-CB 3.23Å; F530-A555 PolarHBondContact O-N 3.17Å; M532-A555 HydrophobicContact CB-CB 3.96Å; M532-A555 HydrophobicContact CE-CB 3.59Å; I549-A555 HydrophobicContact CG2-CB 3.98Å; S553-A555 PolarHBondContact O-N 3.12Å; S553-A555 VanDerWaalsContact O-N 3.15Å; A555-L560 WeakPolarHBondContact O-CB 3.42Å; A555-L560 PolarHBondContact O-N 3.4Å
556	Q	91.2	Very high	89.1	Confident	101 Å²	101	51.2 Å²	51.2	47%	0.472	28%	0.28	S	S	.	.	H	α-helix	trans	-74.4	-40.3	176.5	-162.5	-171.7	20.8	0	0	111.5	I549 P551 S553 P554 A558 G559	I549-Q556 HydrophobicContact CG2-CB 3.79Å; I549-Q556 HydrophobicContact CG2-CG 4.41Å; P551-Q556 VanDerWaalsContact CA-OE1 3.3Å; S553-Q556 PolarHBondContact O-N 2.76Å; S553-Q556 PolarHBondContact OG-N 2.76Å; P554-Q556 PolarHBondContact O-N 2.93Å; Q556-A558 PolarHBondContact O-N 2.76Å; Q556-G559 PolarHBondContact O-N 2.95Å
557	L	90.9	Very high	89.1	Confident	141 Å²	141	52.4 Å²	52.4	74%	0.738	29%	0.286	S	S	*	.	H	α-helix	trans	-65.1	-28.9	178.4	-64.9	172.4	0	0	0	112.2	S553 P554 G559	S553-L557 WeakPolarHBondContact O-CG 3.43Å; S553-L557 PolarHBondContact O-N 3.27Å; P554-L557 PolarHBondContact O-N 3.26Å; L557-G559 PolarHBondContact O-N 2.91Å
558	A	90.9	Very high	89.4	Confident	23 Å²	23	54.4 Å²	54.4	19%	0.19	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-8.1	169	0	0	0	0	0	114.5	V519 L521 P554 Q556 L560	V519-A558 HydrophobicContact CG1-CB 4.46Å; V519-A558 HydrophobicContact CG2-CB 3.61Å; V519-A558 WeakPolarHBondContact CG2-O 3.29Å; L521-A558 HydrophobicContact CD2-CB 3.5Å; P554-A558 VanDerWaalsContact O-CB 3.25Å; P554-A558 WeakPolarHBondContact O-CB 3.25Å; P554-A558 PolarHBondContact O-N 2.85Å; Q556-A558 PolarHBondContact O-N 2.76Å; A558-L560 VanDerWaalsContact C-N 3.31Å; A558-L560 HydrophobicContact CB-CD1 4.37Å; A558-L560 HydrophobicContact CB-CG 4.36Å; A558-L560 PolarHBondContact O-N 2.81Å
559	G	88.5	Confident	89.9	Confident	44 Å²	44	50.4 Å²	50.4	45%	0.454	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	16.7	-179.7	0	0	0	0	0	115	Q556 L557	Q556-G559 PolarHBondContact O-N 2.95Å; L557-G559 PolarHBondContact O-N 2.91Å
560	L	90.7	Very high	90	Very high	8 Å²	8	50 Å²	50	4%	0.042	27%	0.266	C	S	.	.			trans	-68.4	151.1	171.9	-65.7	165.8	0	0	0	110.5	V519 L521 M532 I546 I549 A555 A558 L595 Y597	V519-L560 HydrophobicContact CG1-CD1 4.26Å; V519-L560 HydrophobicContact CG1-CD2 3.98Å; V519-L560 HydrophobicContact CG1-CG 4.21Å; L521-L560 HydrophobicContact CD2-CD1 4.33Å; M532-L560 HydrophobicContact CE-CD1 3.4Å; M532-L560 VanDerWaalsContact CE-CD1 3.4Å; I546-L560 HydrophobicContact CD1-CB 3.91Å; I546-L560 HydrophobicContact CD1-CD1 4.02Å; I546-L560 HydrophobicContact CD1-CD2 4.01Å; I546-L560 HydrophobicContact CD1-CG 4.21Å; I549-L560 HydrophobicContact CD1-CB 3.79Å; I549-L560 WeakPolarHBondContact CD1-O 3.11Å; A555-L560 WeakPolarHBondContact O-CB 3.42Å; A555-L560 PolarHBondContact O-N 3.4Å; A558-L560 VanDerWaalsContact C-N 3.31Å; A558-L560 HydrophobicContact CB-CD1 4.37Å; A558-L560 HydrophobicContact CB-CG 4.36Å; A558-L560 PolarHBondContact O-N 2.81Å; L560-L595 HydrophobicContact CD1-CD1 4.02Å; L560-Y597 HydrophobicContact CD2-CD1 3.63Å; L560-Y597 HydrophobicContact CD2-CD2 3.84Å; L560-Y597 HydrophobicContact CD2-CE1 3.64Å; L560-Y597 HydrophobicContact CD2-CE2 3.84Å; L560-Y597 HydrophobicContact CD2-CG 3.73Å
561	K	86.5	Confident	90	Very high	88 Å²	88	54.1 Å²	54.1	38%	0.383	28%	0.284	S	S	.	.			trans	-124.6	158.3	-179.9	-62.9	-174.3	-179.2	-179.4	0	111.8	G563 D564 D689	K561-G563 PolarHBondContact O-N 2.86Å; K561-D564 PolarHBondContact N-OD2 3.03Å; K561-D564 WeakPolarHBondContact O-CB 3.46Å; K561-D564 PolarHBondContact O-N 2.8Å; K561-D689 IonicContact NZ-OD1 3.09Å; K561-D689 PolarHBondContact NZ-OD1 3.44Å; K561-D689 IonicContact NZ-OD2 2.87Å; K561-D689 PolarHBondContact NZ-OD2 3.48Å
562	V	85.9	Confident	90.2	Very high	63 Å²	63	52.3 Å²	52.3	38%	0.382	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	130.5	176.8	175.5	0	0	0	0	109.2	I546 I549 R600	I546-V562 CarbonylContact O-C 3.56Å; I549-V562 HydrophobicContact CG1-CG2 4.35Å; V562-R600 PolarHBondContact O-NE 2.78Å; V562-R600 PolarHBondContact O-NH2 2.93Å
563	G	82.9	Confident	90.3	Very high	17 Å²	17	46.6 Å²	46.6	18%	0.175	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	2.9	-174.4	0	0	0	0	0	114.8	I546 K561 R565 R600	I546-G563 PolarHBondContact O-N 2.89Å; K561-G563 PolarHBondContact O-N 2.86Å; G563-R565 PolarHBondContact O-N 2.86Å; G563-R600 WeakPolarHBondContact O-CB 3.3Å; G563-R600 WeakPolarHBondContact O-CG 3.43Å
564	D	89.7	Confident	90.2	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.027	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-62.1	134.2	166.2	-76.4	-21.8	0	0	0	110	Y545 I546 K561 Y597 T599 R600	Y545-D564 CarbonylContact C-O 3.59Å; Y545-D564 VanDerWaalsContact CA-O 3.29Å; Y545-D564 WeakPolarHBondContact CA-O 3.39Å; I546-D564 HydrophobicContact CD1-CB 4.2Å; I546-D564 PolarHBondContact N-O 2.89Å; K561-D564 PolarHBondContact N-OD2 3.03Å; K561-D564 WeakPolarHBondContact O-CB 3.46Å; K561-D564 PolarHBondContact O-N 2.8Å; D564-Y597 HydrophobicContact CB-CD2 3.95Å; D564-T599 VanDerWaalsContact OD1-CA 3.31Å; D564-T599 WeakPolarHBondContact OD1-CA 3.49Å; D564-R600 PolarHBondContact OD1-N 3.43Å
565	R	89.9	Confident	89.7	Confident	72 Å²	72	49.1 Å²	49.1	27%	0.272	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	123.4	178	172.9	178.3	-179	-156.4	1.4	109.1	V543 G563 I567 D575 Y597 Q598	V543-R565 HydrophobicContact CG1-CB 4.38Å; V543-R565 VanDerWaalsContact CG1-CD 3.49Å; V543-R565 HydrophobicContact CG1-CG 3.59Å; G563-R565 PolarHBondContact O-N 2.86Å; R565-I567 HydrophobicContact CG-CD1 3.69Å; R565-I567 VanDerWaalsContact NE-CD1 3.33Å; R565-D575 IonicContact CZ-OD2 2.83Å; R565-D575 IonicContact NH2-OD2 3.44Å; R565-D575 PolarHBondContact NH2-OD2 3.08Å; R565-Y597 CarbonylContact O-C 3.59Å; R565-Y597 WeakPolarHBondContact O-CA 3.49Å; R565-Y597 WeakPolarHBondContact O-CB 3.33Å; R565-Q598 HydrophobicContact CB-CB 4.28Å; R565-Q598 PolarHBondContact N-O 2.99Å; R565-Q598 PolarHBondContact O-N 3.05Å
566	L	91.8	Very high	89.3	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137.7	172.2	-161.9	62.1	0	0	0	109.4	L534 T544 V569 T574 L595	L534-L566 HydrophobicContact CD1-CD2 3.52Å; L534-L566 HydrophobicContact CD2-CD2 4.01Å; L534-L566 HydrophobicContact CG-CD2 4.43Å; T544-L566 HydrophobicContact CG2-CB 4.28Å; T544-L566 PolarHBondContact O-N 2.86Å; L566-V569 HydrophobicContact CD1-CG2 4.48Å; L566-V569 HydrophobicContact CD2-CG2 3.56Å; L566-V569 HydrophobicContact CG-CG2 4.04Å; L566-T574 HydrophobicContact CB-CG2 4.08Å; L566-T574 HydrophobicContact CD2-CG2 3.91Å; L566-T574 HydrophobicContact CG-CG2 3.7Å; L566-T574 PolarHBondContact O-OG1 2.87Å; L566-T574 VanDerWaalsContact O-OG1 3.05Å; L566-L595 HydrophobicContact CD1-CB 3.88Å; L566-L595 HydrophobicContact CD1-CD1 3.97Å; L566-L595 HydrophobicContact CD1-CD2 4.18Å; L566-L595 HydrophobicContact CD1-CG 4.24Å
567	I	91.5	Very high	88.9	Confident	26 Å²	26	53.1 Å²	53.1	13%	0.133	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-47.1	-176.4	-49.5	-67.1	0	0	0	110.8	R565 T574 Y596 Q598	R565-I567 HydrophobicContact CG-CD1 3.69Å; R565-I567 VanDerWaalsContact NE-CD1 3.33Å; I567-T574 PolarHBondContact O-N 2.8Å; I567-T574 PolarHBondContact O-OG1 3.05Å; I567-T574 VanDerWaalsContact O-OG1 3.08Å; I567-Y596 WeakPolarHBondContact CB-O 3.37Å; I567-Y596 PolarHBondContact N-O 2.64Å; I567-Q598 HydrophobicContact CD1-CB 4.21Å; I567-Q598 HydrophobicContact CG1-CB 4.28Å
568	R	92.9	Very high	88.9	Confident	69 Å²	69	52 Å²	52	26%	0.26	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	153.1	175.7	-48.5	-170.4	175.5	111.3	2.3	112.2	Y516 L572 E573 Y596	Y516-R568 PolarHBondContact OH-NH1 3.13Å; Y516-R568 VanDerWaalsContact OH-NH1 3.1Å; R568-L572 CarbonylContact C-O 3.59Å; R568-L572 WeakPolarHBondContact CA-O 3.32Å; R568-L572 WeakPolarHBondContact CB-O 3.34Å; R568-E573 HydrophobicContact CG-CG 4.11Å; R568-E573 IonicContact CZ-OE1 2.94Å; R568-E573 IonicContact NE-OE1 3.99Å; R568-E573 PolarHBondContact NE-OE1 2.95Å; R568-E573 IonicContact NH2-OE1 3.96Å; R568-E573 PolarHBondContact NH2-OE1 2.76Å; R568-Y596 HydrophobicContact CB-CD2 3.78Å; R568-Y596 HydrophobicContact CB-CG 4.17Å; R568-Y596 PolarHBondContact N-O 3.12Å; R568-Y596 VanDerWaalsContact N-O 3.13Å; R568-Y596 PolarHBondContact O-N 2.59Å
569	V	93.4	Very high	88.8	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	108.1	179.3	-177.1	0	0	0	0	107.9	L566 E571 L572 T574 L582 Y585 I586 L593 L595	L566-V569 HydrophobicContact CD1-CG2 4.48Å; L566-V569 HydrophobicContact CD2-CG2 3.56Å; L566-V569 HydrophobicContact CG-CG2 4.04Å; V569-E571 PolarHBondContact O-N 3.27Å; V569-L572 PolarHBondContact N-O 3.03Å; V569-L572 WeakPolarHBondContact O-CB 3.33Å; V569-L572 PolarHBondContact O-N 3.05Å; V569-T574 HydrophobicContact CG2-CG2 3.91Å; V569-L582 HydrophobicContact CB-CD1 4.02Å; V569-L582 HydrophobicContact CG1-CD1 4.48Å; V569-L582 HydrophobicContact CG2-CD1 3.78Å; V569-Y585 HydrophobicContact CG1-CD1 4.04Å; V569-Y585 HydrophobicContact CG1-CE1 4.08Å; V569-I586 HydrophobicContact CG1-CD1 4.23Å; V569-I586 HydrophobicContact CG1-CG1 3.83Å; V569-L593 HydrophobicContact CG1-CD1 3.62Å; V569-L593 HydrophobicContact CG1-CG 4.46Å; V569-L595 HydrophobicContact CB-CD2 4.21Å; V569-L595 HydrophobicContact CG1-CD2 3.81Å; V569-L595 HydrophobicContact CG2-CD2 3.9Å
570	N	92.2	Very high	88.9	Confident	21 Å²	21	56 Å²	56	11%	0.112	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	-123.8	-157.1	-54.6	-28.7	0	0	0	109	Y585 Y594 Y596	N570-Y585 HydrophobicContact CB-CE1 4.36Å; N570-Y585 WeakPolarHBondContact ND2-CE1 3.47Å; N570-Y585 PolarHBondContact ND2-OH 3.43Å; N570-Y594 PolarHBondContact N-O 3.21Å; N570-Y594 PolarHBondContact OD1-N 3.1Å; N570-Y596 WeakPolarHBondContact O-CE2 3.18Å
571	E	87.8	Confident	89	Confident	148 Å²	148	60.5 Å²	60.5	69%	0.692	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	5.5	179.8	-44.7	-45.1	125	0	0	113.4	V569	V569-E571 PolarHBondContact O-N 3.27Å
572	L	90.7	Very high	89.2	Confident	64 Å²	64	56.3 Å²	56.3	34%	0.335	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.3	-179.7	-59.4	-177	0	0	0	111.7	R568 V569 M577 Y585	R568-L572 CarbonylContact C-O 3.59Å; R568-L572 WeakPolarHBondContact CA-O 3.32Å; R568-L572 WeakPolarHBondContact CB-O 3.34Å; V569-L572 PolarHBondContact N-O 3.03Å; V569-L572 WeakPolarHBondContact O-CB 3.33Å; V569-L572 PolarHBondContact O-N 3.05Å; L572-M577 HydrophobicContact CD1-CE 4.01Å; L572-M577 HydrophobicContact CD1-SD 4.04Å; L572-Y585 HydrophobicContact CD1-CD1 3.94Å; L572-Y585 HydrophobicContact CD1-CD2 3.62Å; L572-Y585 HydrophobicContact CD1-CE1 3.9Å; L572-Y585 HydrophobicContact CD1-CE2 3.57Å; L572-Y585 HydrophobicContact CD1-CG 3.81Å; L572-Y585 HydrophobicContact CG-CE1 4.46Å; L572-Y585 HydrophobicContact CG-CE2 4.44Å
573	E	90.2	Very high	89.5	Confident	67 Å²	67	54 Å²	54	31%	0.313	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	132.3	173.5	-54.5	-155.2	133.1	0	0	111.4	R568 D575 Q576	R568-E573 HydrophobicContact CG-CG 4.11Å; R568-E573 IonicContact CZ-OE1 2.94Å; R568-E573 IonicContact NE-OE1 3.99Å; R568-E573 PolarHBondContact NE-OE1 2.95Å; R568-E573 IonicContact NH2-OE1 3.96Å; R568-E573 PolarHBondContact NH2-OE1 2.76Å; E573-D575 PolarHBondContact O-N 3.47Å; E573-Q576 HydrophobicContact CB-CG 4.08Å; E573-Q576 PolarHBondContact O-N 2.92Å; E573-Q576 PolarHBondContact OE2-NE2 2.77Å
574	T	89.5	Confident	89.9	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-31.5	-175.7	50	0	0	0	0	113.1	R536 T544 L566 I567 V569 Q576 L582	R536-T574 PolarHBondContact NH2-O 3.46Å; T544-T574 HydrophobicContact CG2-CG2 4.47Å; L566-T574 HydrophobicContact CB-CG2 4.08Å; L566-T574 HydrophobicContact CD2-CG2 3.91Å; L566-T574 HydrophobicContact CG-CG2 3.7Å; L566-T574 PolarHBondContact O-OG1 2.87Å; L566-T574 VanDerWaalsContact O-OG1 3.05Å; I567-T574 PolarHBondContact O-N 2.8Å; I567-T574 PolarHBondContact O-OG1 3.05Å; I567-T574 VanDerWaalsContact O-OG1 3.08Å; V569-T574 HydrophobicContact CG2-CG2 3.91Å; T574-Q576 VanDerWaalsContact C-N 3.33Å; T574-L582 HydrophobicContact CG2-CD2 3.83Å
575	D	84.3	Confident	90	Very high	74 Å²	74	59.9 Å²	59.9	40%	0.396	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-9.6	-167.5	-61.2	2.3	0	0	0	111.5	R565 E573	R565-D575 IonicContact CZ-OD2 2.83Å; R565-D575 IonicContact NH2-OD2 3.44Å; R565-D575 PolarHBondContact NH2-OD2 3.08Å; E573-D575 PolarHBondContact O-N 3.47Å
576	Q	83.1	Confident	90.1	Very high	156 Å²	156	56.6 Å²	56.6	73%	0.729	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-23.4	174.2	-59.2	-173.5	28.6	0	0	113.8	E573 T574	E573-Q576 HydrophobicContact CB-CG 4.08Å; E573-Q576 PolarHBondContact O-N 2.92Å; E573-Q576 PolarHBondContact OE2-NE2 2.77Å; T574-Q576 VanDerWaalsContact C-N 3.33Å
577	M	84.6	Confident	90	Very high	29 Å²	29	58.7 Å²	58.7	14%	0.143	28%	0.283	C	S	.	.	S	Bend	trans	-101.1	158.9	-169.4	-164.3	174.9	-158.4	0	0	111.7	R536 L572 E581 L582	R536-M577 PolarHBondContact NH1-O 2.9Å; R536-M577 PolarHBondContact NH2-O 2.8Å; L572-M577 HydrophobicContact CD1-CE 4.01Å; L572-M577 HydrophobicContact CD1-SD 4.04Å; M577-E581 HydrophobicContact CE-CB 4.14Å; M577-E581 HydrophobicContact CE-CG 3.7Å; M577-E581 HydrophobicContact CG-CB 4.08Å; M577-E581 HydrophobicContact CG-CG 4.31Å; M577-E581 WeakPolarHBondContact CG-OE2 3.47Å; M577-L582 HydrophobicContact CG-CB 4.36Å; M577-L582 HydrophobicContact SD-CB 3.88Å; M577-L582 HydrophobicContact SD-CD1 3.85Å
578	L	89	Confident	89.9	Confident	119 Å²	119	65.3 Å²	65.3	62%	0.623	31%	0.311	S	S	*	.			trans	-77	149	169.2	-72.1	177.9	0	0	0	111.7	D580 E581 L582	L578-D580 PolarHBondContact O-N 3.4Å; L578-E581 HydrophobicContact CB-CB 4.05Å; L578-E581 PolarHBondContact N-OE2 2.94Å; L578-E581 WeakPolarHBondContact O-CB 3.06Å; L578-E581 PolarHBondContact O-N 2.96Å; L578-E581 VanDerWaalsContact O-N 3.16Å; L578-L582 WeakPolarHBondContact O-CB 3.46Å; L578-L582 PolarHBondContact O-N 2.81Å
579	L	89.6	Confident	89.6	Confident	42 Å²	42	62.8 Å²	62.8	22%	0.22	30%	0.303	C	S	.	.	H	α-helix	trans	-59.1	-51.6	-176.3	-179.9	59.9	0	0	0	111.9	L534 R536 T544 E581 L582 L583	L534-L579 HydrophobicContact CB-CD1 4.24Å; R536-L579 HydrophobicContact CG-CD1 4.4Å; R536-L579 HydrophobicContact CG-CD2 4.34Å; T544-L579 HydrophobicContact CG2-CD1 4.48Å; L579-E581 PolarHBondContact O-N 3.43Å; L579-L582 WeakPolarHBondContact O-CB 3.46Å; L579-L582 PolarHBondContact O-N 2.9Å; L579-L583 HydrophobicContact CD1-CD2 4.11Å; L579-L583 HydrophobicContact CD1-CG 4.26Å; L579-L583 HydrophobicContact CG-CG 4.41Å; L579-L583 VanDerWaalsContact O-CG 3.3Å; L579-L583 WeakPolarHBondContact O-CG 3.47Å; L579-L583 PolarHBondContact O-N 3.13Å
580	D	91.1	Very high	89.1	Confident	108 Å²	108	69 Å²	69	58%	0.578	34%	0.336	S	S	*	.	H	α-helix	trans	-59.6	-31.8	178.6	-71	-58.2	0	0	0	113.2	L578 N584	L578-D580 PolarHBondContact O-N 3.4Å; D580-N584 WeakPolarHBondContact O-CB 3.49Å; D580-N584 PolarHBondContact O-N 2.85Å; D580-N584 PolarHBondContact O-ND2 2.83Å
581	E	91.7	Very high	88.7	Confident	102 Å²	102	70 Å²	70	48%	0.477	35%	0.351	S	S	.	.	H	α-helix	trans	-71.8	-44.6	177.7	-155.6	-160	159.5	0	0	111	M577 L578 L579 N584 Y585	M577-E581 HydrophobicContact CE-CB 4.14Å; M577-E581 HydrophobicContact CE-CG 3.7Å; M577-E581 HydrophobicContact CG-CB 4.08Å; M577-E581 HydrophobicContact CG-CG 4.31Å; M577-E581 WeakPolarHBondContact CG-OE2 3.47Å; L578-E581 HydrophobicContact CB-CB 4.05Å; L578-E581 PolarHBondContact N-OE2 2.94Å; L578-E581 WeakPolarHBondContact O-CB 3.06Å; L578-E581 PolarHBondContact O-N 2.96Å; L578-E581 VanDerWaalsContact O-N 3.16Å; L579-E581 PolarHBondContact O-N 3.43Å; E581-N584 CarbonylContact O-C 3.56Å; E581-N584 WeakPolarHBondContact O-CA 3.42Å; E581-N584 WeakPolarHBondContact O-CB 3.44Å; E581-N584 PolarHBondContact O-N 2.75Å; E581-N584 VanDerWaalsContact O-N 3.07Å; E581-Y585 PolarHBondContact O-N 3.47Å
582	L	92.2	Very high	88.8	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.2	-44.3	171.6	-177.9	67.4	0	0	0	111.5	L534 T544 V569 T574 M577 L578 L579 N584 Y585 I586	L534-L582 HydrophobicContact CD1-CD2 4.24Å; T544-L582 HydrophobicContact CG2-CD2 4.09Å; V569-L582 HydrophobicContact CB-CD1 4.02Å; V569-L582 HydrophobicContact CG1-CD1 4.48Å; V569-L582 HydrophobicContact CG2-CD1 3.78Å; T574-L582 HydrophobicContact CG2-CD2 3.83Å; M577-L582 HydrophobicContact CG-CB 4.36Å; M577-L582 HydrophobicContact SD-CB 3.88Å; M577-L582 HydrophobicContact SD-CD1 3.85Å; L578-L582 WeakPolarHBondContact O-CB 3.46Å; L578-L582 PolarHBondContact O-N 2.81Å; L579-L582 WeakPolarHBondContact O-CB 3.46Å; L579-L582 PolarHBondContact O-N 2.9Å; L582-N584 VanDerWaalsContact C-N 3.26Å; L582-N584 PolarHBondContact O-N 2.79Å; L582-Y585 PolarHBondContact O-N 3.19Å; L582-I586 HydrophobicContact CG-CD1 4.21Å; L582-I586 WeakPolarHBondContact O-CG1 3.22Å; L582-I586 PolarHBondContact O-N 3.43Å
583	L	92	Very high	89	Confident	14 Å²	14	62.6 Å²	62.6	7%	0.073	32%	0.319	C	S	.	.	H	α-helix	trans	-62.5	-35.3	173.3	-59.4	-166.9	0	0	0	111.3	L65 L534 L579 R587	L65-L583 HydrophobicContact CD1-CD1 4.25Å; L65-L583 HydrophobicContact CD1-CD2 4.19Å; L65-L583 HydrophobicContact CD2-CB 4.21Å; L65-L583 HydrophobicContact CD2-CD2 4.12Å; L65-L583 HydrophobicContact CG-CB 4.28Å; L65-L583 HydrophobicContact CG-CD2 4.45Å; L534-L583 HydrophobicContact CB-CD2 4Å; L534-L583 HydrophobicContact CD1-CD2 4.09Å; L534-L583 HydrophobicContact CG-CD2 4.25Å; L579-L583 HydrophobicContact CD1-CD2 4.11Å; L579-L583 HydrophobicContact CD1-CG 4.26Å; L579-L583 HydrophobicContact CG-CG 4.41Å; L579-L583 VanDerWaalsContact O-CG 3.3Å; L579-L583 WeakPolarHBondContact O-CG 3.47Å; L579-L583 PolarHBondContact O-N 3.13Å; L583-R587 WeakPolarHBondContact O-CB 3.33Å; L583-R587 VanDerWaalsContact O-CD 3.31Å; L583-R587 WeakPolarHBondContact O-CD 3.41Å; L583-R587 WeakPolarHBondContact O-CG 3.37Å; L583-R587 PolarHBondContact O-N 3.27Å
584	N	90.8	Very high	89.2	Confident	71 Å²	71	63.5 Å²	63.5	38%	0.38	32%	0.32	S	S	.	.	H	α-helix	trans	-71.6	-32.8	175.2	-75.8	-28.7	0	0	0	113.3	D580 E581 L582 R587 K588	D580-N584 WeakPolarHBondContact O-CB 3.49Å; D580-N584 PolarHBondContact O-N 2.85Å; D580-N584 PolarHBondContact O-ND2 2.83Å; E581-N584 CarbonylContact O-C 3.56Å; E581-N584 WeakPolarHBondContact O-CA 3.42Å; E581-N584 WeakPolarHBondContact O-CB 3.44Å; E581-N584 PolarHBondContact O-N 2.75Å; E581-N584 VanDerWaalsContact O-N 3.07Å; L582-N584 VanDerWaalsContact C-N 3.26Å; L582-N584 PolarHBondContact O-N 2.79Å; N584-R587 PolarHBondContact OD1-NH1 3.32Å; N584-K588 WeakPolarHBondContact O-CB 3.48Å; N584-K588 WeakPolarHBondContact O-CD 3.24Å; N584-K588 VanDerWaalsContact O-CG 3.23Å; N584-K588 WeakPolarHBondContact O-CG 3.49Å; N584-K588 PolarHBondContact O-N 3.26Å
585	Y	91.6	Very high	89.4	Confident	76 Å²	76	63.5 Å²	63.5	30%	0.298	32%	0.32	S	S	.	.	H	α-helix	trans	-64.6	-49.1	170.6	-178.1	-99.1	0	0	0	110.7	V569 N570 L572 E581 L582 R587 K588 S589	V569-Y585 HydrophobicContact CG1-CD1 4.04Å; V569-Y585 HydrophobicContact CG1-CE1 4.08Å; N570-Y585 HydrophobicContact CB-CE1 4.36Å; N570-Y585 WeakPolarHBondContact ND2-CE1 3.47Å; N570-Y585 PolarHBondContact ND2-OH 3.43Å; L572-Y585 HydrophobicContact CD1-CD1 3.94Å; L572-Y585 HydrophobicContact CD1-CD2 3.62Å; L572-Y585 HydrophobicContact CD1-CE1 3.9Å; L572-Y585 HydrophobicContact CD1-CE2 3.57Å; L572-Y585 HydrophobicContact CD1-CG 3.81Å; L572-Y585 HydrophobicContact CG-CE1 4.46Å; L572-Y585 HydrophobicContact CG-CE2 4.44Å; E581-Y585 PolarHBondContact O-N 3.47Å; L582-Y585 PolarHBondContact O-N 3.19Å; Y585-R587 VanDerWaalsContact C-N 3.31Å; Y585-R587 PolarHBondContact O-N 3.22Å; Y585-K588 PolarHBondContact O-N 3.41Å; Y585-S589 PolarHBondContact O-N 3.07Å
586	I	92.4	Very high	89.9	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-61.3	-35.1	175.8	-66.2	166.7	0	0	0	112.1	L65 F530 L534 V569 L582 K588 S589 L593	L65-I586 HydrophobicContact CD2-CB 3.93Å; L65-I586 HydrophobicContact CD2-CG2 3.51Å; F530-I586 HydrophobicContact CD2-CG2 3.86Å; F530-I586 HydrophobicContact CE2-CG2 4.23Å; L534-I586 HydrophobicContact CD1-CD1 3.66Å; V569-I586 HydrophobicContact CG1-CD1 4.23Å; V569-I586 HydrophobicContact CG1-CG1 3.83Å; L582-I586 HydrophobicContact CG-CD1 4.21Å; L582-I586 WeakPolarHBondContact O-CG1 3.22Å; L582-I586 PolarHBondContact O-N 3.43Å; I586-K588 VanDerWaalsContact C-N 3.27Å; I586-K588 PolarHBondContact O-N 2.69Å; I586-S589 PolarHBondContact O-OG 3.11Å; I586-S589 VanDerWaalsContact O-OG 3.12Å; I586-L593 HydrophobicContact CB-CD2 4.49Å; I586-L593 HydrophobicContact CG1-CD2 4.23Å; I586-L593 HydrophobicContact CG2-CD2 3.83Å
587	R	89.3	Confident	90.3	Very high	44 Å²	44	55.1 Å²	55.1	17%	0.166	28%	0.277	C	S	.	.	H	α-helix	trans	-66.6	-26.3	173	-73.7	159.8	-167.8	145.9	1	113.1	L65 L583 N584 Y585	L65-R587 HydrophobicContact CB-CG 3.77Å; L65-R587 HydrophobicContact CD2-CG 4.29Å; L65-R587 HydrophobicContact CG-CG 4.13Å; L583-R587 WeakPolarHBondContact O-CB 3.33Å; L583-R587 VanDerWaalsContact O-CD 3.31Å; L583-R587 WeakPolarHBondContact O-CD 3.41Å; L583-R587 WeakPolarHBondContact O-CG 3.37Å; L583-R587 PolarHBondContact O-N 3.27Å; N584-R587 PolarHBondContact OD1-NH1 3.32Å; Y585-R587 VanDerWaalsContact C-N 3.31Å; Y585-R587 PolarHBondContact O-N 3.22Å
588	K	88.7	Confident	90.5	Very high	165 Å²	165	56.7 Å²	56.7	72%	0.717	28%	0.284	S	S	*	.	H	α-helix	trans	-97.8	-18.9	-174.3	-74.3	174.2	179.8	-177.5	0	114.2	N584 Y585 I586 I590	N584-K588 WeakPolarHBondContact O-CB 3.48Å; N584-K588 WeakPolarHBondContact O-CD 3.24Å; N584-K588 VanDerWaalsContact O-CG 3.23Å; N584-K588 WeakPolarHBondContact O-CG 3.49Å; N584-K588 PolarHBondContact O-N 3.26Å; Y585-K588 PolarHBondContact O-N 3.41Å; I586-K588 VanDerWaalsContact C-N 3.27Å; I586-K588 PolarHBondContact O-N 2.69Å; K588-I590 PolarHBondContact O-N 2.78Å
589	S	88	Confident	90.2	Very high	16 Å²	16	53.3 Å²	53.3	11%	0.112	27%	0.268	C	S	.	.			trans	-63.7	106	-178.3	56.7	0	0	0	0	111.5	R523 Y585 I586	R523-S589 PolarHBondContact NH2-O 2.74Å; Y585-S589 PolarHBondContact O-N 3.07Å; I586-S589 PolarHBondContact O-OG 3.11Å; I586-S589 VanDerWaalsContact O-OG 3.12Å
590	I	82.4	Confident	89.2	Confident	132 Å²	132	55.8 Å²	55.8	68%	0.677	28%	0.275	S	S	*	.			trans	-71	-48.3	-177.2	-62.7	177.7	0	0	0	111	T526 K588	T526-I590 HydrophobicContact CG2-CG2 4.07Å; K588-I590 PolarHBondContact O-N 2.78Å
591	G	84.4	Confident	87.4	Confident	42 Å²	42	54.9 Å²	54.9	43%	0.433	28%	0.275	S	S	.	.	S	Bend	trans	-82.8	-162.4	-177.7	0	0	0	0	0	114.9
592	P	89.7	Confident	85.6	Confident	56 Å²	56	55.5 Å²	55.5	36%	0.364	28%	0.276	S	S	.	.			trans	-61.3	138.5	178	27.1	-34.7	0	0	0	111	V520 L521 Q522 Y594	V520-P592 HydrophobicContact CG1-CB 3.78Å; L521-P592 WeakPolarHBondContact O-CA 3.29Å; Q522-P592 HydrophobicContact CG-CB 4.45Å; P592-Y594 HydrophobicContact CB-CE2 4.41Å; P592-Y594 HydrophobicContact CG-CE2 4.06Å
593	L	93.8	Very high	83.6	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	112.1	179.6	-179.5	69.3	0	0	0	109.1	L521 F530 V569 I586 L595	L521-L593 HydrophobicContact CB-CB 4.21Å; L521-L593 HydrophobicContact CD1-CD2 4.01Å; L521-L593 HydrophobicContact CD1-CG 4.45Å; L521-L593 PolarHBondContact N-O 3.03Å; L521-L593 PolarHBondContact O-N 2.87Å; F530-L593 HydrophobicContact CD1-CD2 4.46Å; F530-L593 HydrophobicContact CD2-CD2 3.77Å; F530-L593 HydrophobicContact CE1-CB 3.93Å; F530-L593 HydrophobicContact CE1-CD2 4.32Å; F530-L593 HydrophobicContact CE2-CB 4.28Å; F530-L593 HydrophobicContact CE2-CD2 3.63Å; F530-L593 HydrophobicContact CG-CD2 4.19Å; F530-L593 HydrophobicContact CZ-CB 3.7Å; F530-L593 HydrophobicContact CZ-CD2 3.91Å; F530-L593 HydrophobicContact CZ-CG 4.44Å; V569-L593 HydrophobicContact CG1-CD1 3.62Å; V569-L593 HydrophobicContact CG1-CG 4.46Å; I586-L593 HydrophobicContact CB-CD2 4.49Å; I586-L593 HydrophobicContact CG1-CD2 4.23Å; I586-L593 HydrophobicContact CG2-CD2 3.83Å; L593-L595 HydrophobicContact CD1-CD2 4.45Å; L593-L595 HydrophobicContact CD2-CD2 4.11Å; L593-L595 HydrophobicContact CG-CD2 3.9Å
594	Y	94.5	Very high	81.9	Confident	85 Å²	85	60.7 Å²	60.7	33%	0.333	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	120.3	179.1	-58.9	-85.2	0	0	0	109.3	V519 V520 N570 P592	V519-Y594 WeakPolarHBondContact O-CA 3.31Å; V520-Y594 HydrophobicContact CB-CD1 4.44Å; V520-Y594 HydrophobicContact CG1-CD1 4.13Å; V520-Y594 HydrophobicContact CG1-CE1 3.93Å; V520-Y594 HydrophobicContact CG2-CD1 3.76Å; V520-Y594 HydrophobicContact CG2-CE1 3.8Å; N570-Y594 PolarHBondContact N-O 3.21Å; N570-Y594 PolarHBondContact OD1-N 3.1Å; P592-Y594 HydrophobicContact CB-CE2 4.41Å; P592-Y594 HydrophobicContact CG-CE2 4.06Å
595	L	94.4	Very high	80.8	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.6	174.9	-60.7	-166.2	0	0	0	110.3	K518 V519 L521 M532 L560 L566 V569 L593	K518-L595 CarbonylContact C-O 3.59Å; K518-L595 WeakPolarHBondContact CA-O 3.43Å; V519-L595 HydrophobicContact CG1-CB 4.02Å; V519-L595 PolarHBondContact N-O 3.41Å; V519-L595 PolarHBondContact O-N 2.93Å; L521-L595 HydrophobicContact CD1-CD1 3.48Å; L521-L595 VanDerWaalsContact CD1-CD1 3.48Å; L521-L595 HydrophobicContact CD1-CG 3.77Å; M532-L595 HydrophobicContact CE-CD1 3.58Å; M532-L595 HydrophobicContact SD-CD1 3.92Å; L560-L595 HydrophobicContact CD1-CD1 4.02Å; L566-L595 HydrophobicContact CD1-CB 3.88Å; L566-L595 HydrophobicContact CD1-CD1 3.97Å; L566-L595 HydrophobicContact CD1-CD2 4.18Å; L566-L595 HydrophobicContact CD1-CG 4.24Å; V569-L595 HydrophobicContact CB-CD2 4.21Å; V569-L595 HydrophobicContact CG1-CD2 3.81Å; V569-L595 HydrophobicContact CG2-CD2 3.9Å; L593-L595 HydrophobicContact CD1-CD2 4.45Å; L593-L595 HydrophobicContact CD2-CD2 4.11Å; L593-L595 HydrophobicContact CG-CD2 3.9Å
596	Y	94.2	Very high	80.2	Confident	36 Å²	36	62.9 Å²	62.9	14%	0.141	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116.7	169.2	-60.9	-101.4	0	0	0	107.5	Y516 R517 K518 I567 R568 N570	Y516-Y596 AromaticContact CD2-CD1 3.96Å; Y516-Y596 HydrophobicContact CD2-CD1 3.96Å; Y516-Y596 AromaticContact CE2-CD1 3.78Å; Y516-Y596 HydrophobicContact CE2-CD1 3.78Å; Y516-Y596 HydrophobicContact CE2-CE1 4.4Å; R517-Y596 CarbonylContact O-C 3.57Å; R517-Y596 WeakPolarHBondContact O-CA 3.46Å; K518-Y596 HydrophobicContact CB-CD1 4.07Å; K518-Y596 HydrophobicContact CB-CE1 4.13Å; K518-Y596 HydrophobicContact CD-CD1 4.36Å; K518-Y596 HydrophobicContact CD-CE1 3.62Å; K518-Y596 WeakPolarHBondContact CE-OH 3.49Å; K518-Y596 HydrophobicContact CG-CD1 4.17Å; K518-Y596 HydrophobicContact CG-CE1 3.93Å; K518-Y596 PolarHBondContact NZ-OH 2.91Å; I567-Y596 WeakPolarHBondContact CB-O 3.37Å; I567-Y596 PolarHBondContact N-O 2.64Å; R568-Y596 HydrophobicContact CB-CD2 3.78Å; R568-Y596 HydrophobicContact CB-CG 4.17Å; R568-Y596 PolarHBondContact N-O 3.12Å; R568-Y596 VanDerWaalsContact N-O 3.13Å; R568-Y596 PolarHBondContact O-N 2.59Å; N570-Y596 WeakPolarHBondContact O-CE2 3.18Å
597	Y	92.1	Very high	79.8	Confident	18 Å²	18	65.7 Å²	65.7	7%	0.071	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	139.9	-172.2	73.6	-77.4	0	0	0	110.9	R517 V519 L560 D564 R565 T599	R517-Y597 HydrophobicContact CB-CD1 4.12Å; R517-Y597 HydrophobicContact CB-CE1 3.61Å; R517-Y597 HydrophobicContact CB-CE2 4.31Å; R517-Y597 PolarHBondContact N-O 3.39Å; R517-Y597 WeakPolarHBondContact O-CD1 3.48Å; R517-Y597 PolarHBondContact O-N 3.42Å; V519-Y597 HydrophobicContact CB-CE1 4.04Å; V519-Y597 HydrophobicContact CG1-CD1 4.11Å; V519-Y597 HydrophobicContact CG1-CE1 3.87Å; L560-Y597 HydrophobicContact CD2-CD1 3.63Å; L560-Y597 HydrophobicContact CD2-CD2 3.84Å; L560-Y597 HydrophobicContact CD2-CE1 3.64Å; L560-Y597 HydrophobicContact CD2-CE2 3.84Å; L560-Y597 HydrophobicContact CD2-CG 3.73Å; D564-Y597 HydrophobicContact CB-CD2 3.95Å; R565-Y597 CarbonylContact O-C 3.59Å; R565-Y597 WeakPolarHBondContact O-CA 3.49Å; R565-Y597 WeakPolarHBondContact O-CB 3.33Å; Y597-T599 HydrophobicContact CD2-CG2 4.34Å; Y597-T599 HydrophobicContact CE2-CG2 3.66Å
598	Q	88.3	Confident	79.7	Confident	63 Å²	63	67.7 Å²	67.7	29%	0.294	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	118.7	164.9	-178.7	171.3	33.2	0	0	106.5	R565 I567 R600	R565-Q598 HydrophobicContact CB-CB 4.28Å; R565-Q598 PolarHBondContact N-O 2.99Å; R565-Q598 PolarHBondContact O-N 3.05Å; I567-Q598 HydrophobicContact CD1-CB 4.21Å; I567-Q598 HydrophobicContact CG1-CB 4.28Å; Q598-R600 PolarHBondContact O-N 3.26Å
599	T	81.9	Confident	79.7	Confident	48 Å²	48	60.2 Å²	60.2	29%	0.294	32%	0.32	S	S	.	.			trans	-52.7	138.6	170.2	39.5	0	0	0	0	109	D564 Y597 P601	D564-T599 VanDerWaalsContact OD1-CA 3.31Å; D564-T599 WeakPolarHBondContact OD1-CA 3.49Å; Y597-T599 HydrophobicContact CD2-CG2 4.34Å; Y597-T599 HydrophobicContact CE2-CG2 3.66Å; T599-P601 VanDerWaalsContact O-N 3.08Å
600	R	69.2	Low	79.8	Confident	94 Å²	94	63.4 Å²	63.4	36%	0.355	34%	0.339	S	S	.	.			trans	-45.2	120.1	-179.4	-167.6	-159.2	-70	-148.6	-3.2	109.9	V562 G563 D564 Q598 F602 T603	V562-R600 PolarHBondContact O-NE 2.78Å; V562-R600 PolarHBondContact O-NH2 2.93Å; G563-R600 WeakPolarHBondContact O-CB 3.3Å; G563-R600 WeakPolarHBondContact O-CG 3.43Å; D564-R600 PolarHBondContact OD1-N 3.43Å; Q598-R600 PolarHBondContact O-N 3.26Å; R600-F602 PolarHBondContact O-N 2.72Å; R600-T603 WeakPolarHBondContact CD-OG1 3.49Å; R600-T603 HydrophobicContact CG-CG2 4.29Å; R600-T603 PolarHBondContact NH1-OG1 2.89Å
601	P	54.5	Low	80.3	Confident	88 Å²	88	57.3 Å²	57.3	57%	0.571	31%	0.308	S	S	*	.			trans	-57.8	128.6	172.8	25.6	-33	0	0	0	107.2	T599 T603	T599-P601 VanDerWaalsContact O-N 3.08Å; P601-T603 PolarHBondContact O-N 3.16Å
602	F	52.8	Low	80.6	Confident	115 Å²	115	61.9 Å²	61.9	50%	0.504	31%	0.312	S	S	.	.			trans	-46	99.7	-159.8	-58	-87.3	0	0	0	112.9	R600 S604 L688 K690	R600-F602 PolarHBondContact O-N 2.72Å; F602-S604 PolarHBondContact O-N 3.46Å; F602-L688 VanDerWaalsContact CD1-O 3.31Å; F602-L688 WeakPolarHBondContact CD1-O 3.35Å; F602-L688 WeakPolarHBondContact CE1-O 3.5Å; F602-K690 HydrophobicContact CE1-CG 4.04Å; F602-K690 HydrophobicContact CZ-CG 4.27Å
603	T	49.6	Very low	80.6	Confident	75 Å²	75	59.7 Å²	59.7	46%	0.46	30%	0.297	S	S	.	.			trans	-77.7	77.6	165.6	55.7	0	0	0	0	107.4	R600 P601 Y605	R600-T603 WeakPolarHBondContact CD-OG1 3.49Å; R600-T603 HydrophobicContact CG-CG2 4.29Å; R600-T603 PolarHBondContact NH1-OG1 2.89Å; P601-T603 PolarHBondContact O-N 3.16Å; T603-Y605 PolarHBondContact O-N 3.43Å; T603-Y605 VanDerWaalsContact O-N 3.16Å
604	S	58.1	Low	80.3	Confident	49 Å²	49	64.1 Å²	64.1	34%	0.343	32%	0.318	S	S	.	.			trans	-61.5	109.8	167.9	50.4	0	0	0	0	107.8	F602	F602-S604 PolarHBondContact O-N 3.46Å
605	Y	66.6	Low	79.9	Confident	96 Å²	96	67.5 Å²	67.5	38%	0.376	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	138.8	-177.3	53.6	-91.7	0	0	0	110.5	T603 L607 L685 D686 L688	T603-Y605 PolarHBondContact O-N 3.43Å; T603-Y605 VanDerWaalsContact O-N 3.16Å; Y605-L607 HydrophobicContact CD2-CB 4.15Å; Y605-L607 HydrophobicContact CE2-CB 4.25Å; Y605-L607 PolarHBondContact O-N 2.83Å; Y605-L685 WeakPolarHBondContact O-CA 3.27Å; Y605-D686 HydrophobicContact CD1-CB 4.41Å; Y605-D686 HydrophobicContact CD2-CB 3.99Å; Y605-D686 HydrophobicContact CE1-CB 3.95Å; Y605-D686 HydrophobicContact CE2-CB 3.44Å; Y605-D686 VanDerWaalsContact CE2-CB 3.44Å; Y605-D686 HydrophobicContact CG-CB 4.43Å; Y605-D686 VanDerWaalsContact CZ-CB 3.41Å; Y605-D686 PolarHBondContact O-N 3.25Å; Y605-D686 VanDerWaalsContact OH-CG 3.22Å; Y605-D686 PolarHBondContact OH-OD2 2.94Å; Y605-L688 HydrophobicContact CE1-CD1 3.88Å; Y605-L688 HydrophobicContact CE1-CG 4.17Å
606	L	80.1	Confident	79.6	Confident	97 Å²	97	69.4 Å²	69.4	51%	0.508	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	106.8	169.7	-67	173.7	0	0	0	108.5	V652 T683 V684 L685	L606-V652 HydrophobicContact CD2-CB 4.06Å; L606-V652 HydrophobicContact CD2-CG1 4.06Å; L606-V652 HydrophobicContact CD2-CG2 3.79Å; L606-T683 HydrophobicContact CB-CG2 3.93Å; L606-T683 HydrophobicContact CD2-CG2 3.98Å; L606-T683 HydrophobicContact CG-CG2 4.44Å; L606-V684 CarbonylContact C-O 3.4Å; L606-V684 WeakPolarHBondContact CA-O 3.3Å; L606-L685 HydrophobicContact CD2-CB 4.3Å; L606-L685 HydrophobicContact CD2-CD1 3.65Å; L606-L685 HydrophobicContact CG-CD1 4.12Å
607	L	83.4	Confident	79.4	Confident	61 Å²	61	75 Å²	75	32%	0.319	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	101.1	172.9	179.6	69.4	0	0	0	108.7	Y605 T609 T683 V684	Y605-L607 HydrophobicContact CD2-CB 4.15Å; Y605-L607 HydrophobicContact CE2-CB 4.25Å; Y605-L607 PolarHBondContact O-N 2.83Å; L607-T609 HydrophobicContact CD2-CG2 4.01Å; L607-T609 HydrophobicContact CG-CG2 3.86Å; L607-T683 WeakPolarHBondContact O-CA 3.28Å; L607-V684 HydrophobicContact CB-CG2 3.97Å; L607-V684 HydrophobicContact CD2-CG2 4.26Å; L607-V684 HydrophobicContact CG-CG2 4.48Å; L607-V684 PolarHBondContact N-O 2.87Å; L607-V684 PolarHBondContact O-N 3.37Å
608	T	87.7	Confident	79.4	Confident	85 Å²	85	74.6 Å²	74.6	52%	0.521	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	122.4	168.8	-55.2	0	0	0	0	109.7	T683	T608-T683 WeakPolarHBondContact OG1-CG2 3.45Å; T608-T683 PolarHBondContact OG1-OG1 2.84Å
609	T	87.4	Confident	79.6	Confident	8 Å²	8	72 Å²	72	5%	0.049	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	144	-178.2	56.9	0	0	0	0	110.5	L607 V643 L645 T681 I682	L607-T609 HydrophobicContact CD2-CG2 4.01Å; L607-T609 HydrophobicContact CG-CG2 3.86Å; T609-V643 HydrophobicContact CG2-CG1 4.05Å; T609-L645 HydrophobicContact CG2-CD2 3.95Å; T609-T681 CarbonylContact O-C 3.52Å; T609-T681 WeakPolarHBondContact O-CA 3.24Å; T609-I682 PolarHBondContact N-O 2.8Å; T609-I682 PolarHBondContact O-N 3.07Å; T609-I682 PolarHBondContact OG1-O 2.85Å
610	V	91	Very high	80.1	Confident	84 Å²	84	70.6 Å²	70.6	51%	0.509	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.5	174.4	-170.7	0	0	0	0	108.9	D679 T681	V610-D679 HydrophobicContact CG1-CB 3.78Å; V610-T681 HydrophobicContact CG2-CG2 4.27Å
611	I	91.6	Very high	81.3	Confident	3 Å²	3	71.2 Å²	71.2	2%	0.015	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	117.9	-175	-60.7	162.5	0	0	0	109.2	I618 P639 A640 V643 L645 L680 I682	I611-I618 HydrophobicContact CG2-CG2 4.18Å; I611-P639 HydrophobicContact CG2-CB 3.55Å; I611-A640 HydrophobicContact CD1-CB 4.46Å; I611-V643 HydrophobicContact CD1-CB 4.41Å; I611-V643 HydrophobicContact CG1-CB 3.82Å; I611-V643 HydrophobicContact CG1-CG1 4.05Å; I611-V643 HydrophobicContact CG1-CG2 3.8Å; I611-L645 HydrophobicContact CD1-CD1 3.46Å; I611-L645 VanDerWaalsContact CD1-CD1 3.46Å; I611-L645 HydrophobicContact CD1-CG 4.06Å; I611-L680 PolarHBondContact N-O 2.79Å; I611-L680 WeakPolarHBondContact O-CB 3.35Å; I611-L680 PolarHBondContact O-N 2.97Å; I611-I682 HydrophobicContact CD1-CD1 3.94Å; I611-I682 HydrophobicContact CD1-CG1 4.24Å
612	R	91.1	Very high	83.1	Confident	138 Å²	138	67.1 Å²	67.1	52%	0.521	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	140	164.4	-163.2	161.3	55.7	-119.8	9.2	110.7	P639 D676 D679	R612-P639 VanDerWaalsContact O-CB 3.29Å; R612-P639 WeakPolarHBondContact O-CB 3.25Å; R612-D676 WeakPolarHBondContact CG-O 3.34Å; R612-D679 WeakPolarHBondContact CB-OD1 3.41Å; R612-D679 VanDerWaalsContact CD-OD1 3.31Å; R612-D679 WeakPolarHBondContact CD-OD1 3.44Å; R612-D679 IonicContact CZ-OD1 2.59Å; R612-D679 IonicContact NE-OD1 2.96Å; R612-D679 IonicContact NH1-OD1 3.31Å; R612-D679 PolarHBondContact NH1-OD1 2.69Å
613	K	90.8	Very high	85	Confident	10 Å²	10	66.2 Å²	66.2	4%	0.043	34%	0.34	C	S	.	.			trans	-59	157.8	170.7	-84.5	-171.3	170.9	-174.1	0	112	I618 F671 R672 Y674 D676	K613-I618 HydrophobicContact CG-CG1 3.78Å; K613-F671 WeakPolarHBondContact CE-O 3.28Å; K613-F671 PolarHBondContact NZ-O 2.84Å; K613-R672 PolarHBondContact NZ-O 3.03Å; K613-R672 VanDerWaalsContact NZ-O 3.17Å; K613-Y674 VanDerWaalsContact CE-O 3.29Å; K613-Y674 WeakPolarHBondContact CE-O 3.14Å; K613-Y674 PolarHBondContact NZ-O 3.09Å; K613-D676 HydrophobicContact CB-CB 4.36Å; K613-D676 HydrophobicContact CD-CB 4.44Å; K613-D676 WeakPolarHBondContact CD-OD1 3.49Å; K613-D676 IonicContact NZ-OD1 2.96Å; K613-D676 PolarHBondContact NZ-OD1 3.27Å
614	Q	87.7	Confident	86.9	Confident	94 Å²	94	64.8 Å²	64.8	44%	0.439	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-136.8	128.8	163.8	-70.6	-178.6	-40.5	0	0	109.3	G616 K617 P639	Q614-G616 PolarHBondContact O-N 3.36Å; Q614-K617 PolarHBondContact N-O 3.21Å; Q614-K617 PolarHBondContact O-N 3.16Å; Q614-P639 HydrophobicContact CB-CG 3.91Å; Q614-P639 HydrophobicContact CG-CG 3.87Å
615	N	85.7	Confident	88	Confident	156 Å²	156	64.5 Å²	64.5	83%	0.834	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	49.7	175	-53.7	17.7	0	0	0	112.6	K617	N615-K617 PolarHBondContact O-N 2.82Å
616	G	87	Confident	88.5	Confident	39 Å²	39	69.4 Å²	69.4	40%	0.402	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	-6.8	-177.2	0	0	0	0	0	115.1	Q614 D676	Q614-G616 PolarHBondContact O-N 3.36Å; G616-D676 WeakPolarHBondContact CA-OD1 3.29Å; G616-D676 VanDerWaalsContact CA-OD2 3.27Å; G616-D676 WeakPolarHBondContact CA-OD2 2.96Å; G616-D676 PolarHBondContact N-OD2 3.03Å
617	K	90.3	Very high	88.4	Confident	154 Å²	154	70.7 Å²	70.7	67%	0.67	36%	0.361	S	S	*	.	B	Isolated β-bridge	trans	-126.9	142.9	-160.6	-65.8	173.1	-175	176.5	0	112.8	Q614 N615	Q614-K617 PolarHBondContact N-O 3.21Å; Q614-K617 PolarHBondContact O-N 3.16Å; N615-K617 PolarHBondContact O-N 2.82Å
618	I	92.6	Very high	88.5	Confident	9 Å²	9	70.5 Å²	70.5	5%	0.046	36%	0.359	C	S	.	.			trans	-94	-32.5	173	-62.5	166.3	0	0	0	110.8	I611 K613 I620 P639 A640 F671 L680 I682	I611-I618 HydrophobicContact CG2-CG2 4.18Å; K613-I618 HydrophobicContact CG-CG1 3.78Å; I618-I620 HydrophobicContact CB-CG1 4.49Å; I618-I620 HydrophobicContact CG2-CD1 4.2Å; I618-I620 HydrophobicContact CG2-CG1 4.07Å; I618-P639 WeakPolarHBondContact O-CD 3.37Å; I618-A640 HydrophobicContact CG2-CB 4.06Å; I618-A640 WeakPolarHBondContact O-CB 3.21Å; I618-A640 PolarHBondContact O-N 3.05Å; I618-A640 VanDerWaalsContact O-N 3.09Å; I618-F671 HydrophobicContact CD1-CB 4.09Å; I618-F671 HydrophobicContact CD1-CD1 3.32Å; I618-F671 HydrophobicContact CD1-CD2 4.47Å; I618-F671 HydrophobicContact CD1-CE1 3.76Å; I618-F671 HydrophobicContact CD1-CG 3.74Å; I618-F671 HydrophobicContact CD1-CZ 4.49Å; I618-L680 HydrophobicContact CD1-CD2 3.46Å; I618-L680 VanDerWaalsContact CD1-CD2 3.46Å; I618-L680 HydrophobicContact CG1-CD2 4.37Å; I618-I682 HydrophobicContact CG2-CD1 4.46Å
619	G	92.4	Very high	88.7	Confident	10 Å²	10	66.7 Å²	66.7	10%	0.103	34%	0.335	C	S	.	.			trans	93	17.2	-178.6	0	0	0	0	0	115.8	L635	G619-L635 PolarHBondContact O-N 2.96Å
620	I	93.7	Very high	88.9	Confident	17 Å²	17	68.7 Å²	68.7	9%	0.087	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	149	172.1	60.9	-177	0	0	0	111.8	I618 L622 I631 V633 V634 A640 L645 F671 I682	I618-I620 HydrophobicContact CB-CG1 4.49Å; I618-I620 HydrophobicContact CG2-CD1 4.2Å; I618-I620 HydrophobicContact CG2-CG1 4.07Å; I620-L622 HydrophobicContact CD1-CD2 4.21Å; I620-I631 HydrophobicContact CG2-CG2 4.46Å; I620-V633 WeakPolarHBondContact CA-O 3.31Å; I620-V634 HydrophobicContact CG2-CG1 4.45Å; I620-V634 HydrophobicContact CG2-CG2 4.24Å; I620-A640 HydrophobicContact CG2-CB 3.37Å; I620-L645 HydrophobicContact CG2-CD1 4.39Å; I620-F671 HydrophobicContact CD1-CE2 3.77Å; I620-F671 HydrophobicContact CD1-CZ 3.8Å; I620-F671 HydrophobicContact CG1-CE2 4.31Å; I620-I682 HydrophobicContact CD1-CD1 4.12Å
621	K	92.5	Very high	88.9	Confident	108 Å²	108	64.8 Å²	64.8	47%	0.47	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.7	162.3	-178.3	-171.1	172.6	-150.1	0	107.6	D632 V633	K621-D632 HydrophobicContact CD-CB 4.43Å; K621-D632 WeakPolarHBondContact CD-OD2 3.29Å; K621-D632 VanDerWaalsContact CE-OD2 3.29Å; K621-D632 WeakPolarHBondContact CE-OD2 3.47Å; K621-D632 HydrophobicContact CG-CB 4.39Å; K621-D632 IonicContact NZ-OD2 3.66Å; K621-D632 PolarHBondContact NZ-OD2 2.85Å; K621-D632 WeakPolarHBondContact O-CB 3.46Å; K621-D632 PolarHBondContact O-N 3.16Å; K621-V633 HydrophobicContact CB-CB 4.18Å; K621-V633 HydrophobicContact CD-CG2 4.39Å; K621-V633 PolarHBondContact N-O 3.09Å; K621-V633 PolarHBondContact O-N 2.81Å
622	L	93.3	Very high	88.9	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	159.7	172.1	-62.5	-171.8	0	0	0	111.6	I620 L629 R630 I631 V651 Q664 A667 M668 F671	I620-L622 HydrophobicContact CD1-CD2 4.21Å; L622-L629 HydrophobicContact CD1-CB 4.5Å; L622-L629 HydrophobicContact CD1-CD1 4.28Å; L622-L629 HydrophobicContact CD1-CD2 4.46Å; L622-R630 CarbonylContact C-O 3.57Å; L622-R630 WeakPolarHBondContact CA-O 3.08Å; L622-I631 HydrophobicContact CD2-CG1 3.94Å; L622-V651 HydrophobicContact CD1-CG2 4.47Å; L622-V651 HydrophobicContact CD2-CG2 3.71Å; L622-Q664 HydrophobicContact CB-CG 4.46Å; L622-Q664 WeakPolarHBondContact O-CG 3.43Å; L622-Q664 PolarHBondContact O-NE2 2.75Å; L622-A667 HydrophobicContact CD1-CB 3.72Å; L622-M668 HydrophobicContact CB-SD 4.42Å; L622-M668 HydrophobicContact CG-SD 4.3Å; L622-F671 HydrophobicContact CD1-CE2 3.71Å; L622-F671 HydrophobicContact CD1-CZ 4.42Å; L622-F671 HydrophobicContact CG-CE2 4.15Å
623	K	91.8	Very high	89	Confident	97 Å²	97	63.1 Å²	63.1	42%	0.422	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	131.2	171	175.8	177.5	179	177.9	0	109.2	R630 D632	K623-R630 PolarHBondContact N-O 2.98Å; K623-R630 PolarHBondContact O-N 3.37Å; K623-D632 HydrophobicContact CB-CB 3.78Å; K623-D632 VanDerWaalsContact CD-OD1 3.28Å; K623-D632 WeakPolarHBondContact CD-OD1 3.39Å
624	S	90.4	Very high	89.1	Confident	44 Å²	44	64 Å²	64	31%	0.308	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	134.8	169.9	-174.5	0	0	0	0	109.9	E628	S624-E628 WeakPolarHBondContact CA-O 3.31Å
625	C	80.9	Confident	89.4	Confident	43 Å²	43	64.3 Å²	64.3	29%	0.291	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	113.7	179.9	-80.5	0	0	0	0	108.9	N627 E628	C625-N627 VanDerWaalsContact C-N 3.3Å; C625-N627 PolarHBondContact O-N 3.26Å; C625-E628 PolarHBondContact N-O 2.75Å; C625-E628 WeakPolarHBondContact O-CA 3.47Å; C625-E628 VanDerWaalsContact O-CB 3.31Å; C625-E628 WeakPolarHBondContact O-CB 3.45Å; C625-E628 PolarHBondContact O-N 3.39Å
626	K	78.1	Confident	89.6	Confident	200 Å²	200	61.9 Å²	61.9	87%	0.87	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	43.2	178.2	-55.4	-175	176.5	-172.3	0	114	E628	K626-E628 PolarHBondContact O-N 3.37Å
627	N	76.9	Confident	89.8	Confident	123 Å²	123	66.7 Å²	66.7	66%	0.658	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	12.6	-175.9	-51	2.7	0	0	0	114.6	C625	C625-N627 VanDerWaalsContact C-N 3.3Å; C625-N627 PolarHBondContact O-N 3.26Å
628	E	86.5	Confident	89.9	Confident	58 Å²	58	60 Å²	60	27%	0.271	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135	172.4	-47.9	-175.5	131.4	0	0	110.6	S624 C625 K626 R630 Q650	S624-E628 WeakPolarHBondContact CA-O 3.31Å; C625-E628 PolarHBondContact N-O 2.75Å; C625-E628 WeakPolarHBondContact O-CA 3.47Å; C625-E628 VanDerWaalsContact O-CB 3.31Å; C625-E628 WeakPolarHBondContact O-CB 3.45Å; C625-E628 PolarHBondContact O-N 3.39Å; K626-E628 PolarHBondContact O-N 3.37Å; E628-R630 HydrophobicContact CB-CG 4.5Å; E628-R630 IonicContact OE2-NH1 2.79Å; E628-R630 PolarHBondContact OE2-NH1 3.47Å; E628-Q650 HydrophobicContact CB-CG 4.37Å; E628-Q650 PolarHBondContact OE1-NE2 3.46Å
629	L	90.5	Very high	89.9	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.021	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	124	166.6	-71.6	173.7	0	0	0	109.6	L622 Q650 V651 V659 W662 Q664 A667	L622-L629 HydrophobicContact CD1-CB 4.5Å; L622-L629 HydrophobicContact CD1-CD1 4.28Å; L622-L629 HydrophobicContact CD1-CD2 4.46Å; L629-Q650 CarbonylContact O-C 3.53Å; L629-Q650 WeakPolarHBondContact O-CA 3.44Å; L629-V651 HydrophobicContact CB-CB 4.33Å; L629-V651 PolarHBondContact O-N 3.42Å; L629-V659 HydrophobicContact CD1-CB 4.19Å; L629-V659 HydrophobicContact CD1-CG2 4.07Å; L629-W662 HydrophobicContact CD1-CB 3.76Å; L629-W662 WeakPolarHBondContact CD2-O 3.48Å; L629-W662 WeakPolarHBondContact CG-O 3.4Å; L629-Q664 HydrophobicContact CD2-CB 4.38Å; L629-A667 HydrophobicContact CD1-CB 3.6Å
630	R	91.7	Very high	89.9	Confident	51 Å²	51	59.6 Å²	59.6	19%	0.192	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	150.3	174.3	-56.3	-175.5	81.1	122.1	-1.1	110.7	L622 K623 E628 D632 G648 Q649 Q650 E687	L622-R630 CarbonylContact C-O 3.57Å; L622-R630 WeakPolarHBondContact CA-O 3.08Å; K623-R630 PolarHBondContact N-O 2.98Å; K623-R630 PolarHBondContact O-N 3.37Å; E628-R630 HydrophobicContact CB-CG 4.5Å; E628-R630 IonicContact OE2-NH1 2.79Å; E628-R630 PolarHBondContact OE2-NH1 3.47Å; R630-D632 PolarHBondContact O-N 2.81Å; R630-G648 PolarHBondContact NE-O 2.79Å; R630-G648 PolarHBondContact NH2-O 2.88Å; R630-Q649 CarbonylContact C-O 3.5Å; R630-Q649 WeakPolarHBondContact CA-O 3.35Å; R630-Q650 HydrophobicContact CG-CB 4.2Å; R630-E687 IonicContact CZ-OE2 2.68Å; R630-E687 IonicContact NH1-OE2 2.57Å; R630-E687 PolarHBondContact NH1-OE2 3.18Å; R630-E687 IonicContact NH2-OE2 2.82Å; R630-E687 PolarHBondContact NH2-OE2 2.85Å
631	I	92	Very high	89.8	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	117.1	173.6	-59.5	-178.2	0	0	0	107.8	I620 L622 V634 L645 R646 S647 G648 Q649 V651 V684	I620-I631 HydrophobicContact CG2-CG2 4.46Å; L622-I631 HydrophobicContact CD2-CG1 3.94Å; I631-V634 HydrophobicContact CG2-CG2 3.46Å; I631-V634 VanDerWaalsContact CG2-CG2 3.46Å; I631-L645 HydrophobicContact CD1-CB 4.1Å; I631-L645 HydrophobicContact CD1-CD1 4.06Å; I631-L645 HydrophobicContact CD1-CD2 4.36Å; I631-L645 HydrophobicContact CD1-CG 4.42Å; I631-R646 WeakPolarHBondContact CB-O 3.42Å; I631-S647 CarbonylContact O-C 3.51Å; I631-S647 WeakPolarHBondContact O-CA 3.24Å; I631-G648 PolarHBondContact O-N 2.94Å; I631-Q649 HydrophobicContact CD1-CB 4.38Å; I631-Q649 PolarHBondContact N-O 3.38Å; I631-V651 HydrophobicContact CG1-CG2 4.06Å; I631-V684 HydrophobicContact CD1-CG1 4.08Å
632	D	92.3	Very high	89.7	Confident	42 Å²	42	62.8 Å²	62.8	23%	0.225	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-52.1	-178.7	-169.8	57.4	0	0	0	110	K621 K623 R630 S647	K621-D632 HydrophobicContact CD-CB 4.43Å; K621-D632 WeakPolarHBondContact CD-OD2 3.29Å; K621-D632 VanDerWaalsContact CE-OD2 3.29Å; K621-D632 WeakPolarHBondContact CE-OD2 3.47Å; K621-D632 HydrophobicContact CG-CB 4.39Å; K621-D632 IonicContact NZ-OD2 3.66Å; K621-D632 PolarHBondContact NZ-OD2 2.85Å; K621-D632 WeakPolarHBondContact O-CB 3.46Å; K621-D632 PolarHBondContact O-N 3.16Å; K623-D632 HydrophobicContact CB-CB 3.78Å; K623-D632 VanDerWaalsContact CD-OD1 3.28Å; K623-D632 WeakPolarHBondContact CD-OD1 3.39Å; R630-D632 PolarHBondContact O-N 2.81Å; D632-S647 WeakPolarHBondContact O-CB 3.42Å; D632-S647 PolarHBondContact O-OG 3.13Å
633	V	92.1	Very high	89.5	Confident	64 Å²	64	65.6 Å²	65.6	39%	0.388	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	139.2	-179.8	-177.8	0	0	0	0	109.6	I620 K621	I620-V633 WeakPolarHBondContact CA-O 3.31Å; K621-V633 HydrophobicContact CB-CB 4.18Å; K621-V633 HydrophobicContact CD-CG2 4.39Å; K621-V633 PolarHBondContact N-O 3.09Å; K621-V633 PolarHBondContact O-N 2.81Å
634	V	93.5	Very high	89.3	Confident	29 Å²	29	62.4 Å²	62.4	18%	0.176	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125	166.8	-173.7	0	0	0	0	107.3	I620 I631 A640	I620-V634 HydrophobicContact CG2-CG1 4.45Å; I620-V634 HydrophobicContact CG2-CG2 4.24Å; I631-V634 HydrophobicContact CG2-CG2 3.46Å; I631-V634 VanDerWaalsContact CG2-CG2 3.46Å; V634-A640 HydrophobicContact CG1-CB 4.07Å
635	L	92.9	Very high	89.3	Confident	99 Å²	99	60.6 Å²	60.6	52%	0.518	32%	0.324	S	S	.	.			trans	-73.5	133.7	179.4	-63.3	-179.5	0	0	0	110	G619 S638 S641	G619-L635 PolarHBondContact O-N 2.96Å; L635-S638 VanDerWaalsContact O-CB 3.25Å; L635-S638 WeakPolarHBondContact O-CB 3.38Å; L635-S638 PolarHBondContact O-N 2.87Å; L635-S638 PolarHBondContact O-OG 3.31Å; L635-S641 VanDerWaalsContact O-CB 3.3Å; L635-S641 WeakPolarHBondContact O-CB 3.24Å
636	P	91.2	Very high	89.6	Confident	106 Å²	106	66.4 Å²	66.4	69%	0.688	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	150.5	177.4	26.5	-34.7	0	0	0	111.2	S638	P636-S638 PolarHBondContact O-N 2.87Å
637	N	90.4	Very high	90.1	Very high	140 Å²	140	60.7 Å²	60.7	75%	0.749	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	-3.8	-179.2	-55.9	-25.9	0	0	0	116.3	R642	N637-R642 PolarHBondContact O-NH1 3.18Å
638	S	92.9	Very high	90.5	Very high	14 Å²	14	56.5 Å²	56.5	10%	0.098	31%	0.311	C	S	.	.	S	Bend	trans	-68.9	163.8	177.7	71.7	0	0	0	0	113.6	L635 P636 A640 S641 R642	L635-S638 VanDerWaalsContact O-CB 3.25Å; L635-S638 WeakPolarHBondContact O-CB 3.38Å; L635-S638 PolarHBondContact O-N 2.87Å; L635-S638 PolarHBondContact O-OG 3.31Å; P636-S638 PolarHBondContact O-N 2.87Å; S638-A640 VanDerWaalsContact C-N 3.32Å; S638-A640 PolarHBondContact O-N 3.07Å; S638-S641 WeakPolarHBondContact O-CB 3.43Å; S638-S641 PolarHBondContact O-N 2.7Å; S638-S641 VanDerWaalsContact O-N 3.11Å; S638-S641 PolarHBondContact OG-N 3.15Å; S638-R642 WeakPolarHBondContact O-CG 3.21Å; S638-R642 PolarHBondContact O-N 3.36Å; S638-R642 VanDerWaalsContact O-N 3.07Å
639	P	92.2	Very high	90.6	Very high	10 Å²	10	54 Å²	54	7%	0.065	30%	0.299	C	S	.	.	H	α-helix	trans	-48.9	-49	172.8	-29	35	0	0	0	113.9	I611 R612 Q614 I618 S641 R642 V643	I611-P639 HydrophobicContact CG2-CB 3.55Å; R612-P639 VanDerWaalsContact O-CB 3.29Å; R612-P639 WeakPolarHBondContact O-CB 3.25Å; Q614-P639 HydrophobicContact CB-CG 3.91Å; Q614-P639 HydrophobicContact CG-CG 3.87Å; I618-P639 WeakPolarHBondContact O-CD 3.37Å; P639-S641 PolarHBondContact O-N 3.47Å; P639-R642 PolarHBondContact O-N 2.78Å; P639-V643 PolarHBondContact O-N 3.02Å
640	A	92.6	Very high	90.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.9	-38.3	177.7	0	0	0	0	0	113.8	I611 I618 I620 V634 S638 R642 V643 G644 L645	I611-A640 HydrophobicContact CD1-CB 4.46Å; I618-A640 HydrophobicContact CG2-CB 4.06Å; I618-A640 WeakPolarHBondContact O-CB 3.21Å; I618-A640 PolarHBondContact O-N 3.05Å; I618-A640 VanDerWaalsContact O-N 3.09Å; I620-A640 HydrophobicContact CG2-CB 3.37Å; V634-A640 HydrophobicContact CG1-CB 4.07Å; S638-A640 VanDerWaalsContact C-N 3.32Å; S638-A640 PolarHBondContact O-N 3.07Å; A640-R642 VanDerWaalsContact C-N 3.29Å; A640-R642 PolarHBondContact O-N 2.91Å; A640-V643 PolarHBondContact O-N 3.14Å; A640-G644 PolarHBondContact O-N 3.36Å; A640-L645 HydrophobicContact CB-CB 4.36Å; A640-L645 HydrophobicContact CB-CD1 4.05Å; A640-L645 PolarHBondContact O-N 3.49Å; A640-L645 VanDerWaalsContact O-N 3.16Å
641	S	91.6	Very high	90.6	Very high	49 Å²	49	52.6 Å²	52.6	34%	0.343	30%	0.295	S	S	.	.	H	α-helix	trans	-64.7	-32.7	176	178.7	0	0	0	0	112.6	L635 S638 P639	L635-S641 VanDerWaalsContact O-CB 3.3Å; L635-S641 WeakPolarHBondContact O-CB 3.24Å; S638-S641 WeakPolarHBondContact O-CB 3.43Å; S638-S641 PolarHBondContact O-N 2.7Å; S638-S641 VanDerWaalsContact O-N 3.11Å; S638-S641 PolarHBondContact OG-N 3.15Å; P639-S641 PolarHBondContact O-N 3.47Å
642	R	90.5	Very high	90.5	Very high	142 Å²	142	54.4 Å²	54.4	54%	0.536	31%	0.306	S	S	.	.	H	α-helix	trans	-78.8	-26.5	180	-65.3	-173.8	-50.1	-106.3	3.8	113.2	N637 S638 P639 A640 G644	N637-R642 PolarHBondContact O-NH1 3.18Å; S638-R642 WeakPolarHBondContact O-CG 3.21Å; S638-R642 PolarHBondContact O-N 3.36Å; S638-R642 VanDerWaalsContact O-N 3.07Å; P639-R642 PolarHBondContact O-N 2.78Å; A640-R642 VanDerWaalsContact C-N 3.29Å; A640-R642 PolarHBondContact O-N 2.91Å; R642-G644 VanDerWaalsContact C-N 3.28Å
643	V	89.2	Confident	90.2	Very high	61 Å²	61	53.2 Å²	53.2	37%	0.37	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	7.3	174.7	-167.1	0	0	0	0	111.6	T609 I611 P639 A640	T609-V643 HydrophobicContact CG2-CG1 4.05Å; I611-V643 HydrophobicContact CD1-CB 4.41Å; I611-V643 HydrophobicContact CG1-CB 3.82Å; I611-V643 HydrophobicContact CG1-CG1 4.05Å; I611-V643 HydrophobicContact CG1-CG2 3.8Å; P639-V643 PolarHBondContact O-N 3.02Å; A640-V643 PolarHBondContact O-N 3.14Å
644	G	87.8	Confident	90.2	Very high	29 Å²	29	50.2 Å²	50.2	30%	0.299	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	16.2	167.3	0	0	0	0	0	115.9	A640 R642	A640-G644 PolarHBondContact O-N 3.36Å; R642-G644 VanDerWaalsContact C-N 3.28Å
645	L	89.5	Confident	89.9	Confident	7 Å²	7	51.6 Å²	51.6	4%	0.037	29%	0.289	C	S	.	.			trans	-64.1	145.5	169.7	-67.4	-173.9	0	0	0	110.8	T609 I611 I620 I631 A640 I682 V684	T609-L645 HydrophobicContact CG2-CD2 3.95Å; I611-L645 HydrophobicContact CD1-CD1 3.46Å; I611-L645 VanDerWaalsContact CD1-CD1 3.46Å; I611-L645 HydrophobicContact CD1-CG 4.06Å; I620-L645 HydrophobicContact CG2-CD1 4.39Å; I631-L645 HydrophobicContact CD1-CB 4.1Å; I631-L645 HydrophobicContact CD1-CD1 4.06Å; I631-L645 HydrophobicContact CD1-CD2 4.36Å; I631-L645 HydrophobicContact CD1-CG 4.42Å; A640-L645 HydrophobicContact CB-CB 4.36Å; A640-L645 HydrophobicContact CB-CD1 4.05Å; A640-L645 PolarHBondContact O-N 3.49Å; A640-L645 VanDerWaalsContact O-N 3.16Å; L645-I682 HydrophobicContact CD1-CD1 4.24Å; L645-I682 HydrophobicContact CD1-CG2 4.45Å; L645-V684 HydrophobicContact CD2-CG1 3.83Å; L645-V684 HydrophobicContact CD2-CG2 3.86Å
646	R	87.9	Confident	89.5	Confident	165 Å²	165	49.9 Å²	49.9	62%	0.623	30%	0.295	S	S	*	.			trans	-132.5	150.9	-173.2	-58.7	-178.9	-174.4	-88.8	-3.5	111.8	I631 Q649	I631-R646 WeakPolarHBondContact CB-O 3.42Å; R646-Q649 HydrophobicContact CB-CG 4.32Å; R646-Q649 PolarHBondContact O-N 3.03Å
647	S	87.9	Confident	89.2	Confident	80 Å²	80	49.7 Å²	49.7	56%	0.559	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	142.4	166.3	-179	0	0	0	0	110.4	I631 D632	I631-S647 CarbonylContact O-C 3.51Å; I631-S647 WeakPolarHBondContact O-CA 3.24Å; D632-S647 WeakPolarHBondContact O-CB 3.42Å; D632-S647 PolarHBondContact O-OG 3.13Å
648	G	85.6	Confident	89	Confident	35 Å²	35	46.6 Å²	46.6	36%	0.361	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.4	-23	-178.9	0	0	0	0	0	115.4	R630 I631	R630-G648 PolarHBondContact NE-O 2.79Å; R630-G648 PolarHBondContact NH2-O 2.88Å; I631-G648 PolarHBondContact O-N 2.94Å
649	Q	88.8	Confident	88.8	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.019	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-63.7	143.3	173.8	-71.1	174.2	-26.1	0	0	110.9	R630 I631 R646 V684 D686	R630-Q649 CarbonylContact C-O 3.5Å; R630-Q649 WeakPolarHBondContact CA-O 3.35Å; I631-Q649 HydrophobicContact CD1-CB 4.38Å; I631-Q649 PolarHBondContact N-O 3.38Å; R646-Q649 HydrophobicContact CB-CG 4.32Å; R646-Q649 PolarHBondContact O-N 3.03Å; Q649-V684 HydrophobicContact CB-CB 4.17Å; Q649-V684 HydrophobicContact CB-CG2 4.32Å; Q649-V684 HydrophobicContact CG-CG2 4.45Å; Q649-D686 HydrophobicContact CG-CB 4.41Å; Q649-D686 PolarHBondContact NE2-OD2 2.81Å
650	Q	89.8	Confident	88.4	Confident	21 Å²	21	52.5 Å²	52.5	10%	0.098	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.3	179.1	167.9	179.7	13.7	0	0	110.1	E628 L629 R630 V652 V684 L685	E628-Q650 HydrophobicContact CB-CG 4.37Å; E628-Q650 PolarHBondContact OE1-NE2 3.46Å; L629-Q650 CarbonylContact O-C 3.53Å; L629-Q650 WeakPolarHBondContact O-CA 3.44Å; R630-Q650 HydrophobicContact CG-CB 4.2Å; Q650-V652 HydrophobicContact CG-CG2 4.48Å; Q650-V684 CarbonylContact O-C 3.56Å; Q650-V684 WeakPolarHBondContact O-CA 3.48Å; Q650-V684 WeakPolarHBondContact O-CB 3.34Å; Q650-L685 HydrophobicContact CB-CB 4.2Å; Q650-L685 PolarHBondContact N-O 3.37Å; Q650-L685 PolarHBondContact O-N 2.91Å
651	V	91.1	Very high	87.9	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.03	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.7	175	-170	0	0	0	0	108.8	L622 L629 I631 L654 V659 I682 V684	L622-V651 HydrophobicContact CD1-CG2 4.47Å; L622-V651 HydrophobicContact CD2-CG2 3.71Å; L629-V651 HydrophobicContact CB-CB 4.33Å; L629-V651 PolarHBondContact O-N 3.42Å; I631-V651 HydrophobicContact CG1-CG2 4.06Å; V651-L654 HydrophobicContact CG1-CD2 3.85Å; V651-L654 HydrophobicContact CG1-CG 4.22Å; V651-V659 HydrophobicContact CB-CG2 4.14Å; V651-V659 HydrophobicContact CG1-CG2 3.79Å; V651-V659 WeakPolarHBondContact O-CG2 3.11Å; V651-I682 HydrophobicContact CG1-CG2 4.17Å; V651-V684 HydrophobicContact CG2-CG1 4.48Å
652	V	89.7	Confident	87.8	Confident	41 Å²	41	55 Å²	55	25%	0.248	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-42.8	-178.1	178.6	0	0	0	0	111.4	L606 Q650 C658 V659 T683 L685	L606-V652 HydrophobicContact CD2-CB 4.06Å; L606-V652 HydrophobicContact CD2-CG1 4.06Å; L606-V652 HydrophobicContact CD2-CG2 3.79Å; Q650-V652 HydrophobicContact CG-CG2 4.48Å; V652-C658 WeakPolarHBondContact O-CA 3.46Å; V652-V659 PolarHBondContact O-N 2.98Å; V652-T683 PolarHBondContact N-O 2.98Å; V652-L685 HydrophobicContact CG2-CB 3.72Å
653	S	87.8	Confident	87.8	Confident	16 Å²	16	53.1 Å²	53.1	11%	0.112	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	153.4	174	68.3	0	0	0	0	113.6	Q657 T683	S653-Q657 CarbonylContact C-O 3.57Å; S653-Q657 WeakPolarHBondContact CA-O 3.47Å; S653-Q657 WeakPolarHBondContact CB-O 3.27Å; S653-T683 PolarHBondContact N-O 2.79Å; S653-T683 PolarHBondContact O-N 2.89Å; S653-T683 VanDerWaalsContact OG-CB 3.24Å; S653-T683 WeakPolarHBondContact OG-CB 3.48Å; S653-T683 PolarHBondContact OG-OG1 2.86Å
654	L	90.8	Very high	87.9	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.1	173.4	-61.1	178.3	0	0	0	107.8	V651 G656 Q657 V659 W662 W670 F671 T681 I682	V651-L654 HydrophobicContact CG1-CD2 3.85Å; V651-L654 HydrophobicContact CG1-CG 4.22Å; L654-G656 VanDerWaalsContact C-N 3.25Å; L654-G656 PolarHBondContact O-N 3.44Å; L654-Q657 PolarHBondContact N-O 2.9Å; L654-Q657 VanDerWaalsContact O-CB 3.28Å; L654-Q657 WeakPolarHBondContact O-CB 3.02Å; L654-Q657 PolarHBondContact O-N 2.87Å; L654-V659 HydrophobicContact CB-CG1 4.2Å; L654-V659 HydrophobicContact CD1-CG1 3.87Å; L654-V659 HydrophobicContact CG-CG1 3.74Å; L654-W662 HydrophobicContact CD1-CZ3 4.15Å; L654-W670 HydrophobicContact CB-CE3 4.49Å; L654-W670 HydrophobicContact CB-CH2 3.78Å; L654-W670 HydrophobicContact CB-CZ2 4.17Å; L654-W670 HydrophobicContact CB-CZ3 3.96Å; L654-W670 HydrophobicContact CD1-CD2 4.4Å; L654-W670 HydrophobicContact CD1-CE3 3.91Å; L654-W670 HydrophobicContact CD1-CZ3 4.06Å; L654-F671 HydrophobicContact CD1-CD1 4.32Å; L654-F671 HydrophobicContact CD1-CE1 3.52Å; L654-F671 HydrophobicContact CD1-CZ 3.64Å; L654-F671 HydrophobicContact CD2-CE1 3.69Å; L654-F671 HydrophobicContact CD2-CZ 3.75Å; L654-F671 HydrophobicContact CG-CE1 4.23Å; L654-F671 HydrophobicContact CG-CZ 4.37Å; L654-T681 WeakPolarHBondContact CA-O 3.4Å; L654-I682 HydrophobicContact CD2-CB 4.13Å; L654-I682 HydrophobicContact CD2-CD1 4.2Å; L654-I682 HydrophobicContact CD2-CG1 3.79Å; L654-I682 HydrophobicContact CD2-CG2 3.81Å
655	N	88.3	Confident	88.1	Confident	59 Å²	59	59.1 Å²	59.1	32%	0.316	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	44.7	-173.1	-73.4	-23.5	0	0	0	114	Q657 W670 Y674 T681	N655-Q657 PolarHBondContact O-N 3.48Å; N655-W670 HydrophobicContact CB-CH2 4.33Å; N655-W670 HydrophobicContact CB-CZ2 4.49Å; N655-Y674 WeakPolarHBondContact ND2-CE2 3.47Å; N655-Y674 PolarHBondContact ND2-OH 3.04Å; N655-T681 VanDerWaalsContact CA-OG1 3.24Å; N655-T681 WeakPolarHBondContact CA-OG1 3.46Å; N655-T681 PolarHBondContact N-O 3.04Å; N655-T681 PolarHBondContact N-OG1 3.28Å; N655-T681 PolarHBondContact OD1-N 3.17Å; N655-T681 PolarHBondContact OD1-OG1 3.19Å
656	G	83	Confident	88.2	Confident	62 Å²	62	62.4 Å²	62.4	64%	0.639	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	-20.2	-176.7	0	0	0	0	0	114.6	L654 C658	L654-G656 VanDerWaalsContact C-N 3.25Å; L654-G656 PolarHBondContact O-N 3.44Å; G656-C658 PolarHBondContact O-N 2.97Å
657	Q	86	Confident	88.4	Confident	102 Å²	102	54.6 Å²	54.6	48%	0.477	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	118.2	176.7	-166.9	174.4	22.1	0	0	110.1	S653 L654 N655 V659 W662	S653-Q657 CarbonylContact C-O 3.57Å; S653-Q657 WeakPolarHBondContact CA-O 3.47Å; S653-Q657 WeakPolarHBondContact CB-O 3.27Å; L654-Q657 PolarHBondContact N-O 2.9Å; L654-Q657 VanDerWaalsContact O-CB 3.28Å; L654-Q657 WeakPolarHBondContact O-CB 3.02Å; L654-Q657 PolarHBondContact O-N 2.87Å; N655-Q657 PolarHBondContact O-N 3.48Å; Q657-V659 PolarHBondContact O-N 2.86Å; Q657-W662 HydrophobicContact CG-CH2 4.5Å; Q657-W662 HydrophobicContact CG-CZ2 3.97Å
658	C	85.8	Confident	88.5	Confident	76 Å²	76	53.2 Å²	53.2	51%	0.514	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	132.2	175.8	-173.6	0	0	0	0	110.5	V652 G656	V652-C658 WeakPolarHBondContact O-CA 3.46Å; G656-C658 PolarHBondContact O-N 2.97Å
659	V	88.1	Confident	88.7	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.018	32%	0.321	C	S	.	.			trans	-104.1	17.8	179.4	-55.8	0	0	0	0	113.3	L629 V651 V652 L654 Q657 G661 W662	L629-V659 HydrophobicContact CD1-CB 4.19Å; L629-V659 HydrophobicContact CD1-CG2 4.07Å; V651-V659 HydrophobicContact CB-CG2 4.14Å; V651-V659 HydrophobicContact CG1-CG2 3.79Å; V651-V659 WeakPolarHBondContact O-CG2 3.11Å; V652-V659 PolarHBondContact O-N 2.98Å; L654-V659 HydrophobicContact CB-CG1 4.2Å; L654-V659 HydrophobicContact CD1-CG1 3.87Å; L654-V659 HydrophobicContact CG-CG1 3.74Å; Q657-V659 PolarHBondContact O-N 2.86Å; V659-G661 PolarHBondContact O-N 2.93Å; V659-W662 HydrophobicContact CB-CB 4.22Å; V659-W662 HydrophobicContact CB-CD2 3.76Å; V659-W662 HydrophobicContact CB-CE3 3.97Å; V659-W662 HydrophobicContact CB-CG 3.89Å; V659-W662 HydrophobicContact CG1-CD2 3.74Å; V659-W662 HydrophobicContact CG1-CE3 3.61Å; V659-W662 HydrophobicContact CG1-CG 4.41Å; V659-W662 HydrophobicContact CG1-CH2 3.96Å; V659-W662 HydrophobicContact CG1-CZ2 4.1Å; V659-W662 HydrophobicContact CG1-CZ3 3.72Å; V659-W662 WeakPolarHBondContact O-CB 3.36Å; V659-W662 PolarHBondContact O-N 3.3Å; V659-W662 VanDerWaalsContact O-N 3.13Å
660	H	83.8	Confident	88.9	Confident	145 Å²	145	59.1 Å²	59.1	67%	0.671	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	133.2	173.2	-171.4	76.2	0	0	0	110.4	W662	H660-W662 PolarHBondContact O-N 2.87Å
661	G	83.3	Confident	89	Confident	57 Å²	57	58.5 Å²	58.5	59%	0.588	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	4.8	-174.5	0	0	0	0	0	115.4	V659	V659-G661 PolarHBondContact O-N 2.93Å
662	W	88.3	Confident	88.9	Confident	45 Å²	45	66.8 Å²	66.8	17%	0.17	36%	0.359	C	S	.	.			trans	-79.2	131.9	173.3	-73	27.7	0	0	0	111.3	L629 L654 Q657 V659 H660 T666 A667 W670	L629-W662 HydrophobicContact CD1-CB 3.76Å; L629-W662 WeakPolarHBondContact CD2-O 3.48Å; L629-W662 WeakPolarHBondContact CG-O 3.4Å; L654-W662 HydrophobicContact CD1-CZ3 4.15Å; Q657-W662 HydrophobicContact CG-CH2 4.5Å; Q657-W662 HydrophobicContact CG-CZ2 3.97Å; V659-W662 HydrophobicContact CB-CB 4.22Å; V659-W662 HydrophobicContact CB-CD2 3.76Å; V659-W662 HydrophobicContact CB-CE3 3.97Å; V659-W662 HydrophobicContact CB-CG 3.89Å; V659-W662 HydrophobicContact CG1-CD2 3.74Å; V659-W662 HydrophobicContact CG1-CE3 3.61Å; V659-W662 HydrophobicContact CG1-CG 4.41Å; V659-W662 HydrophobicContact CG1-CH2 3.96Å; V659-W662 HydrophobicContact CG1-CZ2 4.1Å; V659-W662 HydrophobicContact CG1-CZ3 3.72Å; V659-W662 WeakPolarHBondContact O-CB 3.36Å; V659-W662 PolarHBondContact O-N 3.3Å; V659-W662 VanDerWaalsContact O-N 3.13Å; H660-W662 PolarHBondContact O-N 2.87Å; W662-T666 HydrophobicContact CD2-CG2 4.46Å; W662-T666 HydrophobicContact CE3-CG2 4.44Å; W662-A667 HydrophobicContact CE3-CB 4.09Å; W662-W670 AromaticContact CH2-CD1 3.48Å; W662-W670 VanDerWaalsContact CH2-CD1 3.48Å; W662-W670 HydrophobicContact CH2-CD2 4.41Å; W662-W670 AromaticContact CH2-CG 3.95Å; W662-W670 HydrophobicContact CH2-CG 3.95Å; W662-W670 AromaticContact CH2-NE1 3.66Å; W662-W670 HydrophobicContact CZ3-CB 3.96Å; W662-W670 AromaticContact CZ3-CD1 3.75Å; W662-W670 HydrophobicContact CZ3-CD2 4.31Å; W662-W670 AromaticContact CZ3-CG 3.77Å; W662-W670 HydrophobicContact CZ3-CG 3.77Å
663	D	90.5	Very high	88.9	Confident	102 Å²	102	71.2 Å²	71.2	55%	0.545	38%	0.376	S	S	.	.			trans	-70.8	155.8	168.7	-84.7	-44.5	0	0	0	112.9	L665 T666 A667	D663-L665 PolarHBondContact O-N 2.88Å; D663-T666 WeakPolarHBondContact O-CB 3.45Å; D663-T666 PolarHBondContact O-N 3.05Å; D663-T666 VanDerWaalsContact O-N 3.1Å; D663-A667 PolarHBondContact O-N 3.07Å
664	Q	92.2	Very high	89	Confident	74 Å²	74	72.1 Å²	72.1	35%	0.346	38%	0.378	S	S	.	.	H	α-helix	trans	-55.2	-38	175.1	-179.9	-174.7	-31.5	0	0	111.7	L622 L629 M668	L622-Q664 HydrophobicContact CB-CG 4.46Å; L622-Q664 WeakPolarHBondContact O-CG 3.43Å; L622-Q664 PolarHBondContact O-NE2 2.75Å; L629-Q664 HydrophobicContact CD2-CB 4.38Å; Q664-M668 WeakPolarHBondContact O-CB 3.48Å; Q664-M668 VanDerWaalsContact O-CG 3.24Å; Q664-M668 WeakPolarHBondContact O-CG 3.42Å; Q664-M668 PolarHBondContact O-N 2.96Å
665	L	90.9	Very high	89	Confident	142 Å²	142	75 Å²	75	74%	0.743	40%	0.396	S	S	*	.	H	α-helix	trans	-66	-46.3	176.7	-66.8	176.7	0	0	0	111.4	D663 M668 H669	D663-L665 PolarHBondContact O-N 2.88Å; L665-M668 PolarHBondContact O-N 2.83Å; L665-H669 VanDerWaalsContact O-CB 3.27Å; L665-H669 WeakPolarHBondContact O-CB 3.33Å; L665-H669 PolarHBondContact O-N 2.96Å
666	T	92.1	Very high	89	Confident	76 Å²	76	75.3 Å²	75.3	47%	0.466	40%	0.398	S	S	.	.	H	α-helix	trans	-60.1	-48.1	178.3	-51.5	0	0	0	0	111.6	W662 D663 M668 H669 W670	W662-T666 HydrophobicContact CD2-CG2 4.46Å; W662-T666 HydrophobicContact CE3-CG2 4.44Å; D663-T666 WeakPolarHBondContact O-CB 3.45Å; D663-T666 PolarHBondContact O-N 3.05Å; D663-T666 VanDerWaalsContact O-N 3.1Å; T666-M668 PolarHBondContact O-N 2.72Å; T666-H669 WeakPolarHBondContact O-CB 3.32Å; T666-H669 PolarHBondContact O-N 3.31Å; T666-W670 WeakPolarHBondContact O-CB 3.29Å; T666-W670 PolarHBondContact O-N 2.57Å
667	A	91.9	Very high	89	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-64.2	-41.3	177.5	0	0	0	0	0	112.7	L622 L629 W662 D663 H669 W670 F671	L622-A667 HydrophobicContact CD1-CB 3.72Å; L629-A667 HydrophobicContact CD1-CB 3.6Å; W662-A667 HydrophobicContact CE3-CB 4.09Å; D663-A667 PolarHBondContact O-N 3.07Å; A667-H669 VanDerWaalsContact C-N 3.35Å; A667-W670 PolarHBondContact O-N 3.26Å; A667-F671 VanDerWaalsContact O-CD2 3.28Å; A667-F671 WeakPolarHBondContact O-CD2 3.06Å; A667-F671 WeakPolarHBondContact O-CG 3.31Å; A667-F671 PolarHBondContact O-N 3.38Å
668	M	90.1	Very high	89.2	Confident	51 Å²	51	75.3 Å²	75.3	25%	0.251	40%	0.397	S	S	.	.	H	α-helix	trans	-70.6	-29.5	175.3	-67.2	-51.2	-47.5	0	0	112.9	L622 Q664 L665 T666 F671 R672	L622-M668 HydrophobicContact CB-SD 4.42Å; L622-M668 HydrophobicContact CG-SD 4.3Å; Q664-M668 WeakPolarHBondContact O-CB 3.48Å; Q664-M668 VanDerWaalsContact O-CG 3.24Å; Q664-M668 WeakPolarHBondContact O-CG 3.42Å; Q664-M668 PolarHBondContact O-N 2.96Å; L665-M668 PolarHBondContact O-N 2.83Å; T666-M668 PolarHBondContact O-N 2.72Å; M668-F671 HydrophobicContact CE-CD2 4.09Å; M668-F671 HydrophobicContact SD-CD2 3.82Å; M668-F671 HydrophobicContact SD-CE2 4.34Å; M668-R672 WeakPolarHBondContact O-CG 3.21Å; M668-R672 PolarHBondContact O-N 2.87Å; M668-R672 VanDerWaalsContact O-N 3.07Å
669	H	91.2	Very high	89.4	Confident	106 Å²	106	75.3 Å²	75.3	49%	0.491	39%	0.392	S	S	.	.	H	α-helix	trans	-68.1	-43.6	173.2	-171.7	-88.7	0	0	0	111.3	L665 T666 A667 R672 H673	L665-H669 VanDerWaalsContact O-CB 3.27Å; L665-H669 WeakPolarHBondContact O-CB 3.33Å; L665-H669 PolarHBondContact O-N 2.96Å; T666-H669 WeakPolarHBondContact O-CB 3.32Å; T666-H669 PolarHBondContact O-N 3.31Å; A667-H669 VanDerWaalsContact C-N 3.35Å; H669-R672 WeakPolarHBondContact O-CB 3.42Å; H669-R672 PolarHBondContact O-N 2.84Å; H669-H673 AromaticContact CD2-CE1 3.84Å; H669-H673 AromaticContact CE1-CE1 3.18Å; H669-H673 PolarHBondContact CE1-CE1 3.03Å; H669-H673 AromaticContact CE1-ND1 3.39Å; H669-H673 PolarHBondContact CE1-ND1 2.82Å; H669-H673 AromaticContact CG-ND1 3.97Å; H669-H673 AromaticContact ND1-CE1 3.74Å; H669-H673 AromaticContact ND1-ND1 3.49Å; H669-H673 PolarHBondContact ND1-ND1 2.68Å; H669-H673 AromaticContact NE2-CE1 3.22Å; H669-H673 PolarHBondContact NE2-CE1 3.03Å; H669-H673 AromaticContact NE2-ND1 3.79Å; H669-H673 PolarHBondContact O-N 2.7Å; H669-H673 VanDerWaalsContact O-N 3.17Å; H669-H673 PolarHBondContact O-ND1 2.93Å
670	W	92.1	Very high	89.6	Confident	57 Å²	57	75.2 Å²	75.2	22%	0.216	39%	0.391	C	S	.	.	H	α-helix	trans	-59	-47.8	172.8	-168.7	103.7	0	0	0	111	L654 N655 W662 T666 A667 R672 H673 Y674 L680	L654-W670 HydrophobicContact CB-CE3 4.49Å; L654-W670 HydrophobicContact CB-CH2 3.78Å; L654-W670 HydrophobicContact CB-CZ2 4.17Å; L654-W670 HydrophobicContact CB-CZ3 3.96Å; L654-W670 HydrophobicContact CD1-CD2 4.4Å; L654-W670 HydrophobicContact CD1-CE3 3.91Å; L654-W670 HydrophobicContact CD1-CZ3 4.06Å; N655-W670 HydrophobicContact CB-CH2 4.33Å; N655-W670 HydrophobicContact CB-CZ2 4.49Å; W662-W670 AromaticContact CH2-CD1 3.48Å; W662-W670 VanDerWaalsContact CH2-CD1 3.48Å; W662-W670 HydrophobicContact CH2-CD2 4.41Å; W662-W670 AromaticContact CH2-CG 3.95Å; W662-W670 HydrophobicContact CH2-CG 3.95Å; W662-W670 AromaticContact CH2-NE1 3.66Å; W662-W670 HydrophobicContact CZ3-CB 3.96Å; W662-W670 AromaticContact CZ3-CD1 3.75Å; W662-W670 HydrophobicContact CZ3-CD2 4.31Å; W662-W670 AromaticContact CZ3-CG 3.77Å; W662-W670 HydrophobicContact CZ3-CG 3.77Å; T666-W670 WeakPolarHBondContact O-CB 3.29Å; T666-W670 PolarHBondContact O-N 2.57Å; A667-W670 PolarHBondContact O-N 3.26Å; W670-R672 VanDerWaalsContact C-N 3.28Å; W670-R672 PolarHBondContact O-N 2.85Å; W670-H673 PolarHBondContact O-N 3.29Å; W670-Y674 AromaticContact CH2-CD2 3.72Å; W670-Y674 HydrophobicContact CH2-CD2 3.72Å; W670-Y674 HydrophobicContact CH2-CE2 4.14Å; W670-Y674 HydrophobicContact CH2-CG 4.33Å; W670-Y674 HydrophobicContact CZ2-CD2 4.19Å; W670-Y674 AromaticContact CZ3-CD2 3.98Å; W670-Y674 HydrophobicContact CZ3-CD2 3.98Å; W670-Y674 HydrophobicContact CZ3-CG 4.14Å; W670-Y674 PolarHBondContact O-N 2.8Å; W670-L680 HydrophobicContact CH2-CD1 3.5Å; W670-L680 VanDerWaalsContact CH2-CD1 3.5Å; W670-L680 HydrophobicContact CZ3-CD1 3.53Å; W670-L680 HydrophobicContact CZ3-CD2 4.31Å
671	F	91.3	Very high	89.9	Confident	8 Å²	8	70.2 Å²	70.2	4%	0.035	37%	0.371	C	S	.	.	H	α-helix	trans	-62.4	-28.6	175.2	-71.2	-40.1	0	0	0	114.4	K613 I618 I620 L622 L654 A667 M668 L680 I682	K613-F671 WeakPolarHBondContact CE-O 3.28Å; K613-F671 PolarHBondContact NZ-O 2.84Å; I618-F671 HydrophobicContact CD1-CB 4.09Å; I618-F671 HydrophobicContact CD1-CD1 3.32Å; I618-F671 HydrophobicContact CD1-CD2 4.47Å; I618-F671 HydrophobicContact CD1-CE1 3.76Å; I618-F671 HydrophobicContact CD1-CG 3.74Å; I618-F671 HydrophobicContact CD1-CZ 4.49Å; I620-F671 HydrophobicContact CD1-CE2 3.77Å; I620-F671 HydrophobicContact CD1-CZ 3.8Å; I620-F671 HydrophobicContact CG1-CE2 4.31Å; L622-F671 HydrophobicContact CD1-CE2 3.71Å; L622-F671 HydrophobicContact CD1-CZ 4.42Å; L622-F671 HydrophobicContact CG-CE2 4.15Å; L654-F671 HydrophobicContact CD1-CD1 4.32Å; L654-F671 HydrophobicContact CD1-CE1 3.52Å; L654-F671 HydrophobicContact CD1-CZ 3.64Å; L654-F671 HydrophobicContact CD2-CE1 3.69Å; L654-F671 HydrophobicContact CD2-CZ 3.75Å; L654-F671 HydrophobicContact CG-CE1 4.23Å; L654-F671 HydrophobicContact CG-CZ 4.37Å; A667-F671 VanDerWaalsContact O-CD2 3.28Å; A667-F671 WeakPolarHBondContact O-CD2 3.06Å; A667-F671 WeakPolarHBondContact O-CG 3.31Å; A667-F671 PolarHBondContact O-N 3.38Å; M668-F671 HydrophobicContact CE-CD2 4.09Å; M668-F671 HydrophobicContact SD-CD2 3.82Å; M668-F671 HydrophobicContact SD-CE2 4.34Å; F671-L680 HydrophobicContact CD1-CD2 4.04Å; F671-L680 HydrophobicContact CE1-CD2 3.86Å; F671-I682 HydrophobicContact CE1-CD1 4.22Å; F671-I682 HydrophobicContact CZ-CD1 4.27Å
672	R	89.9	Confident	90.3	Very high	180 Å²	180	67.5 Å²	67.5	68%	0.679	34%	0.343	S	S	*	.	H	α-helix	trans	-68	-49.3	173.5	-76.4	168.5	-179.6	155.3	-1.7	110.9	K613 M668 H669 W670	K613-R672 PolarHBondContact NZ-O 3.03Å; K613-R672 VanDerWaalsContact NZ-O 3.17Å; M668-R672 WeakPolarHBondContact O-CG 3.21Å; M668-R672 PolarHBondContact O-N 2.87Å; M668-R672 VanDerWaalsContact O-N 3.07Å; H669-R672 WeakPolarHBondContact O-CB 3.42Å; H669-R672 PolarHBondContact O-N 2.84Å; W670-R672 VanDerWaalsContact C-N 3.28Å; W670-R672 PolarHBondContact O-N 2.85Å
673	H	89.5	Confident	90.3	Very high	133 Å²	133	66 Å²	66	62%	0.616	34%	0.338	S	S	*	.	H	α-helix	trans	-76.5	-21.1	-174.7	-69.5	82.5	0	0	0	114.6	H669 W670	H669-H673 AromaticContact CD2-CE1 3.84Å; H669-H673 AromaticContact CE1-CE1 3.18Å; H669-H673 PolarHBondContact CE1-CE1 3.03Å; H669-H673 AromaticContact CE1-ND1 3.39Å; H669-H673 PolarHBondContact CE1-ND1 2.82Å; H669-H673 AromaticContact CG-ND1 3.97Å; H669-H673 AromaticContact ND1-CE1 3.74Å; H669-H673 AromaticContact ND1-ND1 3.49Å; H669-H673 PolarHBondContact ND1-ND1 2.68Å; H669-H673 AromaticContact NE2-CE1 3.22Å; H669-H673 PolarHBondContact NE2-CE1 3.03Å; H669-H673 AromaticContact NE2-ND1 3.79Å; H669-H673 PolarHBondContact O-N 2.7Å; H669-H673 VanDerWaalsContact O-N 3.17Å; H669-H673 PolarHBondContact O-ND1 2.93Å; W670-H673 PolarHBondContact O-N 3.29Å
674	Y	90.3	Very high	90.3	Very high	36 Å²	36	61.1 Å²	61.1	14%	0.141	31%	0.312	C	S	.	.	S	Bend	trans	-61.1	131.7	176.3	-165.7	-96.2	0	0	0	111.6	K613 N655 W670 V678 D679 L680	K613-Y674 VanDerWaalsContact CE-O 3.29Å; K613-Y674 WeakPolarHBondContact CE-O 3.14Å; K613-Y674 PolarHBondContact NZ-O 3.09Å; N655-Y674 WeakPolarHBondContact ND2-CE2 3.47Å; N655-Y674 PolarHBondContact ND2-OH 3.04Å; W670-Y674 AromaticContact CH2-CD2 3.72Å; W670-Y674 HydrophobicContact CH2-CD2 3.72Å; W670-Y674 HydrophobicContact CH2-CE2 4.14Å; W670-Y674 HydrophobicContact CH2-CG 4.33Å; W670-Y674 HydrophobicContact CZ2-CD2 4.19Å; W670-Y674 AromaticContact CZ3-CD2 3.98Å; W670-Y674 HydrophobicContact CZ3-CD2 3.98Å; W670-Y674 HydrophobicContact CZ3-CG 4.14Å; W670-Y674 PolarHBondContact O-N 2.8Å; Y674-V678 HydrophobicContact CE1-CB 4.11Å; Y674-V678 WeakPolarHBondContact OH-CG1 3.28Å; Y674-D679 PolarHBondContact OH-O 3Å; Y674-L680 HydrophobicContact CD1-CB 4.17Å; Y674-L680 HydrophobicContact CE1-CB 3.73Å
675	P	90.1	Very high	89.9	Confident	62 Å²	62	58.9 Å²	58.9	40%	0.403	30%	0.302	S	S	.	.			trans	-66.1	146.2	-173.9	25.5	-35.4	0	0	0	113.7	S677 V678	P675-S677 VanDerWaalsContact C-N 3.35Å; P675-S677 PolarHBondContact O-N 2.89Å; P675-V678 HydrophobicContact CB-CG2 4.18Å; P675-V678 HydrophobicContact CG-CB 4.08Å; P675-V678 HydrophobicContact CG-CG2 3.61Å
676	D	87.9	Confident	89	Confident	64 Å²	64	53 Å²	53	34%	0.342	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-25.4	-177.7	-91.4	50.2	0	0	0	114.3	R612 K613 G616	R612-D676 WeakPolarHBondContact CG-O 3.34Å; K613-D676 HydrophobicContact CB-CB 4.36Å; K613-D676 HydrophobicContact CD-CB 4.44Å; K613-D676 WeakPolarHBondContact CD-OD1 3.49Å; K613-D676 IonicContact NZ-OD1 2.96Å; K613-D676 PolarHBondContact NZ-OD1 3.27Å; G616-D676 WeakPolarHBondContact CA-OD1 3.29Å; G616-D676 VanDerWaalsContact CA-OD2 3.27Å; G616-D676 WeakPolarHBondContact CA-OD2 2.96Å; G616-D676 PolarHBondContact N-OD2 3.03Å
677	S	83.8	Confident	87.7	Confident	100 Å²	100	50.8 Å²	50.8	70%	0.699	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-13.1	-176.4	49.8	0	0	0	0	114.5	P675	P675-S677 VanDerWaalsContact C-N 3.35Å; P675-S677 PolarHBondContact O-N 2.89Å
678	V	89.9	Confident	85.8	Confident	65 Å²	65	55.4 Å²	55.4	39%	0.394	28%	0.28	S	S	.	.	S	Bend	trans	-105.5	142.2	-171.9	-168.6	0	0	0	0	110.5	Y674 P675 L680	Y674-V678 HydrophobicContact CE1-CB 4.11Å; Y674-V678 WeakPolarHBondContact OH-CG1 3.28Å; P675-V678 HydrophobicContact CB-CG2 4.18Å; P675-V678 HydrophobicContact CG-CB 4.08Å; P675-V678 HydrophobicContact CG-CG2 3.61Å; V678-L680 PolarHBondContact O-N 2.92Å
679	D	90.5	Very high	83.9	Confident	76 Å²	76	55.6 Å²	55.6	41%	0.406	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	118.7	177.5	-68.3	-11	0	0	0	110.1	V610 R612 Y674	V610-D679 HydrophobicContact CG1-CB 3.78Å; R612-D679 WeakPolarHBondContact CB-OD1 3.41Å; R612-D679 VanDerWaalsContact CD-OD1 3.31Å; R612-D679 WeakPolarHBondContact CD-OD1 3.44Å; R612-D679 IonicContact CZ-OD1 2.59Å; R612-D679 IonicContact NE-OD1 2.96Å; R612-D679 IonicContact NH1-OD1 3.31Å; R612-D679 PolarHBondContact NH1-OD1 2.69Å; Y674-D679 PolarHBondContact OH-O 3Å
680	L	91.4	Very high	81.7	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127.9	178.6	162.1	66.1	0	0	0	110.1	I611 I618 W670 F671 Y674 V678 I682	I611-L680 PolarHBondContact N-O 2.79Å; I611-L680 WeakPolarHBondContact O-CB 3.35Å; I611-L680 PolarHBondContact O-N 2.97Å; I618-L680 HydrophobicContact CD1-CD2 3.46Å; I618-L680 VanDerWaalsContact CD1-CD2 3.46Å; I618-L680 HydrophobicContact CG1-CD2 4.37Å; W670-L680 HydrophobicContact CH2-CD1 3.5Å; W670-L680 VanDerWaalsContact CH2-CD1 3.5Å; W670-L680 HydrophobicContact CZ3-CD1 3.53Å; W670-L680 HydrophobicContact CZ3-CD2 4.31Å; F671-L680 HydrophobicContact CD1-CD2 4.04Å; F671-L680 HydrophobicContact CE1-CD2 3.86Å; Y674-L680 HydrophobicContact CD1-CB 4.17Å; Y674-L680 HydrophobicContact CE1-CB 3.73Å; V678-L680 PolarHBondContact O-N 2.92Å; L680-I682 HydrophobicContact CD1-CG1 4.42Å; L680-I682 HydrophobicContact CD2-CD1 3.97Å; L680-I682 HydrophobicContact CD2-CG1 3.99Å; L680-I682 HydrophobicContact CG-CD1 4.39Å; L680-I682 HydrophobicContact CG-CG1 3.87Å
681	T	90	Very high	79.2	Confident	41 Å²	41	55.6 Å²	55.6	25%	0.252	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.4	167.3	60.6	0	0	0	0	111.5	T609 V610 L654 N655	T609-T681 CarbonylContact O-C 3.52Å; T609-T681 WeakPolarHBondContact O-CA 3.24Å; V610-T681 HydrophobicContact CG2-CG2 4.27Å; L654-T681 WeakPolarHBondContact CA-O 3.4Å; N655-T681 VanDerWaalsContact CA-OG1 3.24Å; N655-T681 WeakPolarHBondContact CA-OG1 3.46Å; N655-T681 PolarHBondContact N-O 3.04Å; N655-T681 PolarHBondContact N-OG1 3.28Å; N655-T681 PolarHBondContact OD1-N 3.17Å; N655-T681 PolarHBondContact OD1-OG1 3.19Å
682	I	91.9	Very high	76.8	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.1	173	-53.3	-168	0	0	0	107.8	T609 I611 I618 I620 L645 V651 L654 F671 L680 V684	T609-I682 PolarHBondContact N-O 2.8Å; T609-I682 PolarHBondContact O-N 3.07Å; T609-I682 PolarHBondContact OG1-O 2.85Å; I611-I682 HydrophobicContact CD1-CD1 3.94Å; I611-I682 HydrophobicContact CD1-CG1 4.24Å; I618-I682 HydrophobicContact CG2-CD1 4.46Å; I620-I682 HydrophobicContact CD1-CD1 4.12Å; L645-I682 HydrophobicContact CD1-CD1 4.24Å; L645-I682 HydrophobicContact CD1-CG2 4.45Å; V651-I682 HydrophobicContact CG1-CG2 4.17Å; L654-I682 HydrophobicContact CD2-CB 4.13Å; L654-I682 HydrophobicContact CD2-CD1 4.2Å; L654-I682 HydrophobicContact CD2-CG1 3.79Å; L654-I682 HydrophobicContact CD2-CG2 3.81Å; F671-I682 HydrophobicContact CE1-CD1 4.22Å; F671-I682 HydrophobicContact CZ-CD1 4.27Å; L680-I682 HydrophobicContact CD1-CG1 4.42Å; L680-I682 HydrophobicContact CD2-CD1 3.97Å; L680-I682 HydrophobicContact CD2-CG1 3.99Å; L680-I682 HydrophobicContact CG-CD1 4.39Å; L680-I682 HydrophobicContact CG-CG1 3.87Å; I682-V684 HydrophobicContact CG2-CG1 3.85Å
683	T	89	Confident	74.2	Confident	12 Å²	12	55 Å²	55	7%	0.074	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	117.3	170.7	-51.4	0	0	0	0	109.4	L606 L607 T608 V652 S653	L606-T683 HydrophobicContact CB-CG2 3.93Å; L606-T683 HydrophobicContact CD2-CG2 3.98Å; L606-T683 HydrophobicContact CG-CG2 4.44Å; L607-T683 WeakPolarHBondContact O-CA 3.28Å; T608-T683 WeakPolarHBondContact OG1-CG2 3.45Å; T608-T683 PolarHBondContact OG1-OG1 2.84Å; V652-T683 PolarHBondContact N-O 2.98Å; S653-T683 PolarHBondContact N-O 2.79Å; S653-T683 PolarHBondContact O-N 2.89Å; S653-T683 VanDerWaalsContact OG-CB 3.24Å; S653-T683 WeakPolarHBondContact OG-CB 3.48Å; S653-T683 PolarHBondContact OG-OG1 2.86Å
684	V	89.6	Confident	71.6	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	145.6	174.5	-59.8	0	0	0	0	111.7	L606 L607 I631 L645 Q649 Q650 V651 I682	L606-V684 CarbonylContact C-O 3.4Å; L606-V684 WeakPolarHBondContact CA-O 3.3Å; L607-V684 HydrophobicContact CB-CG2 3.97Å; L607-V684 HydrophobicContact CD2-CG2 4.26Å; L607-V684 HydrophobicContact CG-CG2 4.48Å; L607-V684 PolarHBondContact N-O 2.87Å; L607-V684 PolarHBondContact O-N 3.37Å; I631-V684 HydrophobicContact CD1-CG1 4.08Å; L645-V684 HydrophobicContact CD2-CG1 3.83Å; L645-V684 HydrophobicContact CD2-CG2 3.86Å; Q649-V684 HydrophobicContact CB-CB 4.17Å; Q649-V684 HydrophobicContact CB-CG2 4.32Å; Q649-V684 HydrophobicContact CG-CG2 4.45Å; Q650-V684 CarbonylContact O-C 3.56Å; Q650-V684 WeakPolarHBondContact O-CA 3.48Å; Q650-V684 WeakPolarHBondContact O-CB 3.34Å; V651-V684 HydrophobicContact CG2-CG1 4.48Å; I682-V684 HydrophobicContact CG2-CG1 3.85Å
685	L	84.9	Confident	69.1	Low	27 Å²	27	56.8 Å²	56.8	14%	0.141	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	118.8	167.3	-167.2	76.2	0	0	0	108.8	Y605 L606 Q650 V652 E687	Y605-L685 WeakPolarHBondContact O-CA 3.27Å; L606-L685 HydrophobicContact CD2-CB 4.3Å; L606-L685 HydrophobicContact CD2-CD1 3.65Å; L606-L685 HydrophobicContact CG-CD1 4.12Å; Q650-L685 HydrophobicContact CB-CB 4.2Å; Q650-L685 PolarHBondContact N-O 3.37Å; Q650-L685 PolarHBondContact O-N 2.91Å; V652-L685 HydrophobicContact CG2-CB 3.72Å; L685-E687 HydrophobicContact CD2-CG 4.17Å; L685-E687 HydrophobicContact CG-CG 4.45Å
686	D	72.4	Confident	66.6	Low	18 Å²	18	61.1 Å²	61.1	10%	0.096	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	99.5	178.5	-157.2	-27.2	0	0	0	110.9	Y605 Q649 L688	Y605-D686 HydrophobicContact CD1-CB 4.41Å; Y605-D686 HydrophobicContact CD2-CB 3.99Å; Y605-D686 HydrophobicContact CE1-CB 3.95Å; Y605-D686 HydrophobicContact CE2-CB 3.44Å; Y605-D686 VanDerWaalsContact CE2-CB 3.44Å; Y605-D686 HydrophobicContact CG-CB 4.43Å; Y605-D686 VanDerWaalsContact CZ-CB 3.41Å; Y605-D686 PolarHBondContact O-N 3.25Å; Y605-D686 VanDerWaalsContact OH-CG 3.22Å; Y605-D686 PolarHBondContact OH-OD2 2.94Å; Q649-D686 HydrophobicContact CG-CB 4.41Å; Q649-D686 PolarHBondContact NE2-OD2 2.81Å; D686-L688 PolarHBondContact O-N 2.98Å
687	E	64.4	Low	64.1	Low	30 Å²	30	62.2 Å²	62.2	14%	0.14	35%	0.346	C	S	.	.			trans	-88.6	74	177.5	-58.5	-162.5	112.1	0	0	111.4	R630 L685 K690	R630-E687 IonicContact CZ-OE2 2.68Å; R630-E687 IonicContact NH1-OE2 2.57Å; R630-E687 PolarHBondContact NH1-OE2 3.18Å; R630-E687 IonicContact NH2-OE2 2.82Å; R630-E687 PolarHBondContact NH2-OE2 2.85Å; L685-E687 HydrophobicContact CD2-CG 4.17Å; L685-E687 HydrophobicContact CG-CG 4.45Å; E687-K690 HydrophobicContact CB-CD 4.42Å; E687-K690 VanDerWaalsContact OE1-CE 3.32Å; E687-K690 WeakPolarHBondContact OE1-CE 3.39Å; E687-K690 IonicContact OE1-NZ 3.91Å; E687-K690 PolarHBondContact OE1-NZ 3.43Å; E687-K690 WeakPolarHBondContact OE2-CD 3.49Å; E687-K690 WeakPolarHBondContact OE2-CE 3.45Å; E687-K690 IonicContact OE2-NZ 2.7Å; E687-K690 PolarHBondContact OE2-NZ 2.97Å
688	L	52.7	Low	61.7	Low	97 Å²	97	68.2 Å²	68.2	51%	0.508	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	144	175.1	-64.6	178.5	0	0	0	111.9	F602 Y605 D686 K690	F602-L688 VanDerWaalsContact CD1-O 3.31Å; F602-L688 WeakPolarHBondContact CD1-O 3.35Å; F602-L688 WeakPolarHBondContact CE1-O 3.5Å; Y605-L688 HydrophobicContact CE1-CD1 3.88Å; Y605-L688 HydrophobicContact CE1-CG 4.17Å; D686-L688 PolarHBondContact O-N 2.98Å; L688-K690 PolarHBondContact O-N 3.28Å
689	D	48.8	Very low	58.9	Low	56 Å²	56	70.3 Å²	70.3	30%	0.299	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	1.7	171	-58.9	-9.7	0	0	0	120	K561 A691 N693	K561-D689 IonicContact NZ-OD1 3.09Å; K561-D689 PolarHBondContact NZ-OD1 3.44Å; K561-D689 IonicContact NZ-OD2 2.87Å; K561-D689 PolarHBondContact NZ-OD2 3.48Å; D689-A691 VanDerWaalsContact C-N 3.25Å; D689-A691 PolarHBondContact O-N 3.22Å; D689-N693 PolarHBondContact O-ND2 3.39Å
690	K	46.1	Very low	56	Low	93 Å²	93	70.4 Å²	70.4	40%	0.404	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.1	171.7	-74.3	-170.7	-175.7	172.5	0	114.3	F602 E687 L688 T694	F602-K690 HydrophobicContact CE1-CG 4.04Å; F602-K690 HydrophobicContact CZ-CG 4.27Å; E687-K690 HydrophobicContact CB-CD 4.42Å; E687-K690 VanDerWaalsContact OE1-CE 3.32Å; E687-K690 WeakPolarHBondContact OE1-CE 3.39Å; E687-K690 IonicContact OE1-NZ 3.91Å; E687-K690 PolarHBondContact OE1-NZ 3.43Å; E687-K690 WeakPolarHBondContact OE2-CD 3.49Å; E687-K690 WeakPolarHBondContact OE2-CE 3.45Å; E687-K690 IonicContact OE2-NZ 2.7Å; E687-K690 PolarHBondContact OE2-NZ 2.97Å; L688-K690 PolarHBondContact O-N 3.28Å; K690-T694 PolarHBondContact O-OG1 3.44Å
691	A	38	Very low	53.2	Low	69 Å²	69	75.9 Å²	75.9	57%	0.57	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-35.8	-176.7	0	0	0	0	0	114.7	D689 N693 T694	D689-A691 VanDerWaalsContact C-N 3.25Å; D689-A691 PolarHBondContact O-N 3.22Å; A691-N693 PolarHBondContact O-N 3.18Å; A691-T694 PolarHBondContact O-OG1 2.89Å
692	E	41.9	Very low	50.4	Low	111 Å²	111	79.9 Å²	79.9	52%	0.519	44%	0.438	S	S	.	.	H	α-helix	trans	-76.1	-25.7	-172.6	-65.2	-162.4	165.2	0	0	114.1
693	N	35.1	Very low	47.4	Very low	66 Å²	66	84.8 Å²	84.8	35%	0.353	47%	0.47	S	S	.	.	H	α-helix	trans	-82	-20.8	-176.8	-61	-74.2	0	0	0	112.7	R517 D689 A691 S697	R517-N693 PolarHBondContact NH2-OD1 3.22Å; D689-N693 PolarHBondContact O-ND2 3.39Å; A691-N693 PolarHBondContact O-N 3.18Å; N693-S697 PolarHBondContact O-OG 3.49Å
694	T	34.8	Very low	44.6	Very low	86 Å²	86	91.8 Å²	91.8	53%	0.528	51%	0.507	S	S	.	.	H	α-helix	trans	-89.2	-19.9	-179.3	41.1	0	0	0	0	114.2	K690 A691 S697	K690-T694 PolarHBondContact O-OG1 3.44Å; A691-T694 PolarHBondContact O-OG1 2.89Å; T694-S697 WeakPolarHBondContact CA-OG 3.31Å; T694-S697 PolarHBondContact O-OG 3.17Å
695	I	38	Very low	41.7	Very low	119 Å²	119	96.8 Å²	96.8	61%	0.61	54%	0.543	S	S	*	.	H	α-helix	trans	-79.3	-45.4	174.2	-62.2	175	0	0	0	110.3	S697 R698	I695-S697 PolarHBondContact O-N 2.91Å; I695-S697 VanDerWaalsContact O-N 3.14Å; I695-R698 PolarHBondContact O-N 3.24Å
696	K	37.3	Very low	39.2	Very low	154 Å²	154	100.9 Å²	100.9	67%	0.67	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-14.7	-179.9	-67.5	170.6	-177.5	163.6	0	114.3
697	S	35	Very low	37.2	Very low	87 Å²	87	108 Å²	108	61%	0.608	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	-5.6	178.7	45.3	0	0	0	0	114.1	N693 T694 I695	N693-S697 PolarHBondContact O-OG 3.49Å; T694-S697 WeakPolarHBondContact CA-OG 3.31Å; T694-S697 PolarHBondContact O-OG 3.17Å; I695-S697 PolarHBondContact O-N 2.91Å; I695-S697 VanDerWaalsContact O-N 3.14Å
698	R	33.8	Very low	35.9	Very low	226 Å²	226	115.9 Å²	115.9	85%	0.853	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	-3.2	176.9	-98.1	177.8	63.8	176.4	-1.2	115.1	I695 A700	I695-R698 PolarHBondContact O-N 3.24Å; R698-A700 PolarHBondContact O-N 3.5Å
699	T	32.2	Very low	34.8	Very low	109 Å²	109	120.4 Å²	120.4	67%	0.669	66%	0.659	S	S	*	*			trans	-98.4	61.2	170.6	56.8	0	0	0	0	111.2
700	A	29.2	Very low	34.2	Very low	77 Å²	77	125 Å²	125	64%	0.636	68%	0.684	S	S	*	*			trans	-67.3	140.7	156.4	0	0	0	0	0	108.2	R698 V702	R698-A700 PolarHBondContact O-N 3.5Å; A700-V702 PolarHBondContact O-N 3.44Å
701	P	31.6	Very low	33.7	Very low	115 Å²	115	125.4 Å²	125.4	75%	0.747	70%	0.698	S	S	*	*			trans	-69.6	105.9	177.4	28.2	-33	0	0	0	109.6	C703	P701-C703 PolarHBondContact O-N 3.13Å; P701-C703 VanDerWaalsContact O-N 3.13Å
702	V	32.2	Very low	33.5	Very low	126 Å²	126	129.7 Å²	129.7	76%	0.764	71%	0.71	S	S	*	*			trans	-69	104.4	160.6	178.3	0	0	0	0	106.3	A700 D704	A700-V702 PolarHBondContact O-N 3.44Å; V702-D704 PolarHBondContact O-N 2.81Å
703	C	29.2	Very low	32.9	Very low	102 Å²	102	133.4 Å²	133.4	69%	0.689	72%	0.719	S	S	*	*			trans	-76.4	89.5	177.6	-68.4	0	0	0	0	109.9	P701 S705	P701-C703 PolarHBondContact O-N 3.13Å; P701-C703 VanDerWaalsContact O-N 3.13Å; C703-S705 PolarHBondContact O-N 3.33Å
704	D	28.8	Very low	32.7	Very low	159 Å²	159	136.4 Å²	136.4	85%	0.85	73%	0.731	S	S	*	*			trans	-62.5	97.8	168	-85.5	-43.2	0	0	0	110.6	V702	V702-D704 PolarHBondContact O-N 2.81Å
705	S	29.2	Very low	32.6	Very low	106 Å²	106	138.2 Å²	138.2	74%	0.741	74%	0.737	S	S	*	*			trans	-155.2	53.5	175.7	71.8	0	0	0	0	114.1	C703	C703-S705 PolarHBondContact O-N 3.33Å
706	S	31.7	Very low	32	Very low	113 Å²	113	141.6 Å²	141.6	79%	0.79	74%	0.744	S	S	*	*			trans	-147.9	17.3	176.4	57	0	0	0	0	116.4	K708	S706-K708 PolarHBondContact O-N 3.03Å
707	I	31.9	Very low	31.9	Very low	168 Å²	168	142.8 Å²	142.8	86%	0.862	75%	0.752	S	S	*	*			trans	-71.6	94.2	168.5	-57.5	179.3	0	0	0	109.3	K709	I707-K709 PolarHBondContact O-N 2.97Å
708	K	35.8	Very low	31.5	Very low	194 Å²	194	146.2 Å²	146.2	84%	0.843	76%	0.763	S	S	*	*			trans	-68.5	120.8	157.9	-75	-173.3	175.4	-175.8	0	108.2	S706	S706-K708 PolarHBondContact O-N 3.03Å
709	K	31	Very low	31.4	Very low	192 Å²	192	139.3 Å²	139.3	84%	0.835	76%	0.762	S	S	*	*			trans	-69.3	131	157.5	-68.5	178.9	176.7	179.8	0	107.7	I707	I707-K709 PolarHBondContact O-N 2.97Å
710	D	35.9	Very low	31.4	Very low	154 Å²	154	138.2 Å²	138.2	82%	0.824	76%	0.764	S	S	*	*			trans	-161.5	125.8	145.3	-98.2	-37.9	0	0	0	111.6
711	S	34.4	Very low	31.6	Very low	101 Å²	101	142 Å²	142	71%	0.706	77%	0.774	S	S	*	*			trans	62.4	141.5	150.9	-137.1	0	0	0	0	122.5
712	I	35.4	Very low	31.7	Very low	158 Å²	158	143.6 Å²	143.6	81%	0.81	78%	0.777	S	S	*	*			trans	65.6	133.1	159.9	-59.5	145.7	0	0	0	116.6
713	R	28.6	Very low	31.9	Very low	189 Å²	189	147.9 Å²	147.9	71%	0.713	79%	0.785	S	S	*	*			cis	151.1	125.3	-25.9	168.7	177.9	177.3	-145.3	-11.7	106.2
714	E	31.5	Very low	32.2	Very low	129 Å²	129	146.7 Å²	146.7	60%	0.603	78%	0.782	S	S	*	*			trans	67.4	150.5	166.3	-68.9	165.1	-177.4	0	0	116.6
715	N	31.2	Very low	32.4	Very low	124 Å²	124	149.3 Å²	149.3	66%	0.663	79%	0.786	S	S	*	*			cis	-153.7	174.8	-11.6	-119.2	-20.5	0	0	0	112.2
716	Y	27	Very low	32.6	Very low	190 Å²	190	151.1 Å²	151.1	75%	0.745	79%	0.788	S	S	*	*			trans	-42.7	155.4	164.5	-59.7	-94.4	0	0	0	113.1
717	Q	33.7	Very low	33	Very low	180 Å²	180	152.3 Å²	152.3	84%	0.841	79%	0.785	S	S	*	*				-165.2	168.5	57	-130.1	121.8	-1.4	0	0	115.5
718	N	28.1	Very low	33.1	Very low	158 Å²	158	153.5 Å²	153.5	85%	0.845	78%	0.784	S	S	*	*			trans	-59.9	152.5	-176.6	-47.2	-31	0	0	0	115.9
719	G	30.9	Very low	33	Very low	81 Å²	81	149.6 Å²	149.6	84%	0.835	78%	0.782	S	S	*	*			trans	-166.8	117.6	160.4	0	0	0	0	0	111.1
720	A	32	Very low	33.2	Very low	86 Å²	86	145.8 Å²	145.8	71%	0.711	78%	0.779	S	S	*	*			trans	-97.7	159.6	-178.4	0	0	0	0	0	112.1
721	N	34	Very low	33.3	Very low	158 Å²	158	146.8 Å²	146.8	85%	0.845	78%	0.783	S	S	*	*				178.5	150.4	120.2	-84	-20.5	0	0	0	111.5
722	D	32.9	Very low	33.2	Very low	148 Å²	148	148.5 Å²	148.5	79%	0.791	78%	0.784	S	S	*	*			trans	-79.1	163.6	-172.5	-41.7	-91.5	0	0	0	114
723	K	37.6	Very low	33.2	Very low	216 Å²	216	148.8 Å²	148.8	94%	0.939	79%	0.786	S	S	*	*				-145.6	148.7	123	-71.6	-150.6	175.8	-176.8	0	110.6
724	A	34.4	Very low	33.4	Very low	76 Å²	76	144.7 Å²	144.7	63%	0.628	78%	0.784	S	S	*	*			trans	-104.2	174.9	-164.8	0	0	0	0	0	114.4
725	F	33.6	Very low	33.3	Very low	214 Å²	214	143.3 Å²	143.3	94%	0.939	79%	0.789	S	S	*	*			trans	-144.3	95.4	160.7	-118.2	-78.6	0	0	0	108.5
726	D	33.8	Very low	33.4	Very low	145 Å²	145	147.6 Å²	147.6	78%	0.775	80%	0.802	S	S	*	*			trans	-94.4	142.7	173.2	-68.9	-62.1	0	0	0	110.4
727	D	38.6	Very low	33.5	Very low	138 Å²	138	143.9 Å²	143.9	74%	0.738	80%	0.804	S	S	*	*			trans	-163.2	158.3	138.9	-137	-26.8	0	0	0	112.8
728	F	34.4	Very low	33.6	Very low	192 Å²	192	145.5 Å²	145.5	84%	0.842	81%	0.808	S	S	*	*			trans	68	66.8	173.8	-56.3	-71	0	0	0	119.9
729	S	34.7	Very low	33.6	Very low	112 Å²	112	147.6 Å²	147.6	78%	0.783	81%	0.81	S	S	*	*			trans	-146.7	122.6	140.5	69.7	0	0	0	0	112.7
730	S	34.8	Very low	33.7	Very low	113 Å²	113	151.7 Å²	151.7	79%	0.79	81%	0.81	S	S	*	*			trans	-160	95.1	172.6	-66.2	0	0	0	0	112
731	I	37.6	Very low	33.5	Very low	175 Å²	175	151.6 Å²	151.6	90%	0.897	81%	0.81	S	S	*	*			trans	-145.1	103.4	146.9	-59.2	-174	0	0	0	106.2
732	D	31.8	Very low	33.3	Very low	136 Å²	136	149.6 Å²	149.6	73%	0.727	80%	0.803	S	S	*	*			trans	-81.2	156.1	175.9	-65.3	-75.2	0	0	0	112.7
733	L	36	Very low	33.2	Very low	164 Å²	164	148.4 Å²	148.4	86%	0.859	80%	0.801	S	S	*	*				176.4	160.4	122.3	-108.7	70.7	0	0	0	109.8
734	P	32.9	Very low	32.9	Very low	104 Å²	104	145.7 Å²	145.7	68%	0.675	79%	0.792	S	S	*	*				-138.7	169.9	-123.2	38.5	-18	0	0	0	117.2
735	S	28.9	Very low	32.7	Very low	100 Å²	100	152.2 Å²	152.2	70%	0.699	81%	0.806	S	S	*	*			trans	63.2	121.9	145	69.4	0	0	0	0	120.5
736	K	34.7	Very low	32.3	Very low	213 Å²	213	148.1 Å²	148.1	93%	0.926	79%	0.794	S	S	*	*				-167.9	140.6	111.9	-102.3	156.5	-174.7	169.7	0	111.3
737	S	28.9	Very low	32.1	Very low	113 Å²	113	147.1 Å²	147.1	79%	0.79	79%	0.785	S	S	*	*			trans	-120.8	156.8	-176.5	56.6	0	0	0	0	111.6
738	K	35.3	Very low	31.8	Very low	213 Å²	213	148.2 Å²	148.2	93%	0.926	78%	0.783	S	S	*	*			trans	-146.5	132.6	161.8	-99.9	-174.9	175.4	-178	0	109.7
739	K	28.6	Very low	31.4	Very low	203 Å²	203	145.8 Å²	145.8	88%	0.883	78%	0.779	S	S	*	*			trans	-109.8	140.5	177.8	-68.6	-179.8	175.1	-179	0	111.1
740	I	32.2	Very low	31	Very low	166 Å²	166	147.4 Å²	147.4	85%	0.851	78%	0.778	S	S	*	*			trans	-156.4	131.6	156.2	-41.3	177	0	0	0	105.7
741	A	28.2	Very low	30.6	Very low	84 Å²	84	148.1 Å²	148.1	69%	0.694	77%	0.773	S	S	*	*			cis	109.4	136.6	2.2	0	0	0	0	0	115.7
742	V	29.1	Very low	30	Very low	116 Å²	116	144 Å²	144	70%	0.703	76%	0.76	S	S	*	*			cis	-94.1	-102.7	-6.3	-163.1	0	0	0	0	110
743	T	32.1	Very low	29.8	Very low	123 Å²	123	144.4 Å²	144.4	76%	0.755	76%	0.762	S	S	*	*			cis	-152.2	83.7	-12.5	-41.5	0	0	0	0	111.7
744	Q	29.5	Very low	29.7	Very low	160 Å²	160	143 Å²	143	75%	0.748	76%	0.76	S	S	*	*			trans	9.4	128.7	133.1	-72	178	-28	0	0	118.9
745	F	30.7	Very low	29.5	Very low	213 Å²	213	143.8 Å²	143.8	93%	0.934	77%	0.765	S	S	*	*				-154.7	167.1	107.1	-115.2	-79.6	0	0	0	110.1
746	N	26.4	Very low	29.4	Very low	128 Å²	128	144 Å²	144	68%	0.684	77%	0.766	S	S	*	*			trans	-131.4	163.9	-157.4	-146.6	20.9	0	0	0	114.2
747	E	29.4	Very low	29.1	Very low	124 Å²	124	142.5 Å²	142.5	58%	0.579	76%	0.762	S	S	*	*			trans	78.7	142.2	145.8	-88.5	165.7	-112.8	0	0	123.7
748	K	30.9	Very low	29	Very low	160 Å²	160	143.4 Å²	143.4	70%	0.696	76%	0.758	S	S	*	*			trans	80.4	91.1	140.3	-76.4	164.5	179.2	154.3	0	121.2
749	N	26.2	Very low	28.8	Very low	142 Å²	142	140.5 Å²	140.5	76%	0.759	75%	0.752	S	S	*	*				76.5	153.1	103.4	-89.2	1.9	0	0	0	122.5
750	L	27.8	Very low	28.9	Very low	145 Å²	145	137.6 Å²	137.6	76%	0.759	75%	0.745	S	S	*	*			trans	85.5	129.1	155	-72.1	153.3	0	0	0	119.7
751	N	26.5	Very low	28.9	Very low	129 Å²	129	136.4 Å²	136.4	69%	0.69	74%	0.74	S	S	*	*			trans	78.1	90.6	139.3	-68.6	1.8	0	0	0	121
752	S	24.6	Very low	29.2	Very low	89 Å²	89	136.9 Å²	136.9	62%	0.622	74%	0.739	S	S	*	*				66.4	149.5	104.6	72.2	0	0	0	0	121.4
753	N	27	Very low	29.3	Very low	144 Å²	144	136.5 Å²	136.5	77%	0.77	74%	0.741	S	S	*	*			trans	79.6	97.5	159.4	-54.7	-18.5	0	0	0	117.3
754	V	33.2	Very low	29.2	Very low	135 Å²	135	135.1 Å²	135.1	82%	0.818	74%	0.736	S	S	*	*				-12.4	126.3	128.1	174.3	0	0	0	0	113
755	P	29.2	Very low	29.4	Very low	120 Å²	120	133.4 Å²	133.4	78%	0.779	74%	0.737	S	S	*	*				-133.1	165.1	102.9	38.1	-29.6	0	0	0	114.9
756	C	26.2	Very low	29.3	Very low	105 Å²	105	128.6 Å²	128.6	71%	0.709	73%	0.725	S	S	*	*			trans	-85.3	154.2	168.5	-50.4	0	0	0	0	110.8
757	E	28.4	Very low	29.6	Very low	180 Å²	180	128.5 Å²	128.5	84%	0.841	73%	0.731	S	S	*	*			trans	-166.9	118.5	139.6	-103.9	158.7	-162	0	0	106.9
758	N	26.9	Very low	29.7	Very low	132 Å²	132	128.5 Å²	128.5	71%	0.706	74%	0.74	S	S	*	*				72.4	109.7	74.4	-66.4	-26.4	0	0	0	113.7
759	L	32.2	Very low	29.5	Very low	153 Å²	153	125.4 Å²	125.4	80%	0.801	74%	0.738	S	S	*	*				-166	124.6	120.6	-114	69.8	0	0	0	105.7
760	L	30.1	Very low	29.7	Very low	141 Å²	141	128.9 Å²	128.9	74%	0.738	75%	0.747	S	S	*	*				54.2	127.8	88.7	-56.4	-176.6	0	0	0	112.5
761	D	32.4	Very low	29.5	Very low	141 Å²	141	128.5 Å²	128.5	75%	0.754	74%	0.744	S	S	*	*			cis	-155.2	172.7	11.9	-102.8	-43	0	0	0	108.7
762	S	34.9	Very low	29.8	Very low	95 Å²	95	127.9 Å²	127.9	66%	0.664	75%	0.75	S	S	*	*			cis	-156.1	144	-1.2	39	0	0	0	0	107.9
763	S	30.1	Very low	29.9	Very low	107 Å²	107	130.4 Å²	130.4	75%	0.748	76%	0.757	S	S	*	*				59.7	142.6	100.4	122.8	0	0	0	0	116.5
764	S	30.5	Very low	29.8	Very low	94 Å²	94	132.2 Å²	132.2	66%	0.657	76%	0.761	S	S	*	*			cis	-175.1	-179.1	-1.5	45.1	0	0	0	0	112.1
765	V	33.6	Very low	29.6	Very low	125 Å²	125	134.9 Å²	134.9	76%	0.758	76%	0.764	S	S	*	*			trans	74	136.7	159.5	177	0	0	0	0	118.2
766	T	29.4	Very low	29.4	Very low	112 Å²	112	138.3 Å²	138.3	69%	0.687	77%	0.769	S	S	*	*			cis	-163.7	151.4	-32.9	38	0	0	0	0	108.7
767	P	32.6	Very low	29.6	Very low	126 Å²	126	138.6 Å²	138.6	82%	0.818	77%	0.773	S	S	*	*			trans	-101.4	139.2	165.7	36.3	-29.2	0	0	0	113.2
768	T	31.7	Very low	29.6	Very low	124 Å²	124	138.9 Å²	138.9	76%	0.761	77%	0.774	S	S	*	*			trans	-142.1	110	169.2	43.5	0	0	0	0	112.7
769	S	25.6	Very low	29.4	Very low	94 Å²	94	138.5 Å²	138.5	66%	0.657	78%	0.78	S	S	*	*			trans	10.2	135	135.7	56.9	0	0	0	0	120
770	F	29.9	Very low	29.3	Very low	215 Å²	215	134.3 Å²	134.3	94%	0.943	77%	0.774	S	S	*	*				-145.5	142.1	126.3	-104	-71.3	0	0	0	111.4
771	I	25.4	Very low	29.2	Very low	137 Å²	137	137.8 Å²	137.8	70%	0.703	78%	0.777	S	S	*	*			trans	-108.2	137.4	177.7	-64.1	168	0	0	0	108.4
772	S	31.3	Very low	29.1	Very low	117 Å²	117	138.2 Å²	138.2	82%	0.818	78%	0.775	S	S	*	*			trans	-165.2	101.3	156.9	-76	0	0	0	0	106
773	N	27.7	Very low	28.8	Very low	142 Å²	142	140 Å²	140	76%	0.759	78%	0.777	S	S	*	*				105.3	136.6	61.1	-92.7	25.9	0	0	0	109.4
774	E	25.3	Very low	28.8	Very low	182 Å²	182	141.3 Å²	141.3	85%	0.85	78%	0.78	S	S	*	*			trans	-74	156.5	-176.8	-55.4	132	140.7	0	0	111.7
775	Q	29	Very low	28.8	Very low	191 Å²	191	144.7 Å²	144.7	89%	0.893	79%	0.79	S	S	*	*			trans	-156.9	127.7	136.1	-116.3	169.6	15.6	0	0	111.5
776	E	24.8	Very low	28.8	Very low	191 Å²	191	144.3 Å²	144.3	89%	0.893	78%	0.784	S	S	*	*			trans	-80	151.6	170.9	-58	178.4	109.2	0	0	110.7
777	S	29.8	Very low	29	Very low	111 Å²	111	144.9 Å²	144.9	78%	0.776	79%	0.789	S	S	*	*			trans	-161	106.5	155.3	4.1	0	0	0	0	114.2
778	H	27.8	Very low	28.8	Very low	187 Å²	187	145 Å²	145	87%	0.866	78%	0.782	S	S	*	*			trans	23.9	117.5	142.9	-66.9	-52.9	0	0	0	123.4
779	C	23.7	Very low	28.7	Very low	123 Å²	123	148.4 Å²	148.4	83%	0.831	79%	0.787	S	S	*	*				75.3	120.6	104.6	-157	0	0	0	0	122.5
780	G	30	Very low	28.7	Very low	66 Å²	66	149.5 Å²	149.5	68%	0.68	79%	0.785	S	S	*	*			trans	173.7	117.8	157.1	0	0	0	0	0	107.9
781	R	27	Very low	28.8	Very low	213 Å²	213	148.6 Å²	148.6	80%	0.804	78%	0.781	S	S	*	*				57.5	130.5	68.2	-69	-167.5	-178.8	-176.7	1.7	112.6
782	E	31.7	Very low	28.8	Very low	150 Å²	150	147 Å²	147	70%	0.701	78%	0.777	S	S	*	*			cis	-138.4	144.9	13.2	-102.5	127.4	-142.7	0	0	110.2
783	N	27.9	Very low	28.9	Very low	134 Å²	134	150.3 Å²	150.3	72%	0.717	78%	0.777	S	S	*	*				77.2	156.3	71.9	-68.9	-26.4	0	0	0	116.4
784	V	30.1	Very low	28.9	Very low	134 Å²	134	149.7 Å²	149.7	81%	0.812	77%	0.774	S	S	*	*			trans	79.8	130.4	164.4	-171.2	0	0	0	0	116.8
785	L	30.4	Very low	29.2	Very low	164 Å²	164	147.3 Å²	147.3	86%	0.859	76%	0.763	S	S	*	*			cis	-155.3	171.3	-24.5	-118.9	178.5	0	0	0	110.6
786	N	33.5	Very low	29.4	Very low	118 Å²	118	145.2 Å²	145.2	63%	0.631	75%	0.751	S	S	*	*			trans	-94.7	173.3	175.3	-144.2	1.3	0	0	0	110.8
787	P	34.1	Very low	29.5	Very low	123 Å²	123	142.8 Å²	142.8	80%	0.799	74%	0.744	S	S	*	*				-148.9	156.2	98	37.7	-20.7	0	0	0	117.4
788	L	27.4	Very low	29.5	Very low	128 Å²	128	145 Å²	145	67%	0.67	75%	0.747	S	S	*	*			trans	-95.1	169.2	166.2	-71	157.3	0	0	0	110.8
789	F	29.9	Very low	29.5	Very low	197 Å²	197	142.3 Å²	142.3	86%	0.864	74%	0.744	S	S	*	*			trans	-148.9	144.5	135.4	-113.6	-75.8	0	0	0	112.6
790	L	26	Very low	29.7	Very low	117 Å²	117	143.1 Å²	143.1	61%	0.613	75%	0.745	S	S	*	*			trans	-103.4	168.9	176.6	-78.4	70	0	0	0	110.3	T792	L790-T792 HydrophobicContact CD2-CG2 4.46Å
791	F	30.9	Very low	29.6	Very low	196 Å²	196	146 Å²	146	86%	0.86	75%	0.75	S	S	*	*				-153.9	160.4	125.2	-100.7	-63.3	0	0	0	112.1
792	T	27.3	Very low	29.6	Very low	103 Å²	103	141.3 Å²	141.3	63%	0.632	75%	0.747	S	S	*	*			trans	-142.5	159.4	-162.8	54	0	0	0	0	113.6	L790	L790-T792 HydrophobicContact CD2-CG2 4.46Å
793	K	33.1	Very low	29.4	Very low	187 Å²	187	140.4 Å²	140.4	81%	0.813	75%	0.751	S	S	*	*			trans	-178	123.5	148	-99.1	152.9	-174.7	178.2	0	108.2
794	N	28	Very low	29.3	Very low	129 Å²	129	141.1 Å²	141.1	69%	0.69	76%	0.755	S	S	*	*				73.3	134.5	82.7	-72.9	29.4	0	0	0	112.6
795	E	31.3	Very low	29.3	Very low	132 Å²	132	141 Å²	141	62%	0.617	75%	0.754	S	S	*	*			cis	-162.9	165.5	9.6	-129.2	-177.9	165.2	0	0	114.7
796	K	31.7	Very low	29.1	Very low	146 Å²	146	139.1 Å²	139.1	64%	0.635	75%	0.754	S	S	*	*			trans	69	106.2	149	-77.1	156.8	-176.4	149.9	0	121.7
797	N	28	Very low	28.8	Very low	141 Å²	141	142.7 Å²	142.7	75%	0.754	77%	0.766	S	S	*	*				57.4	133	113	-57.2	12.7	0	0	0	118.9
798	N	30.3	Very low	28.6	Very low	157 Å²	157	141.6 Å²	141.6	84%	0.84	76%	0.762	S	S	*	*			cis	-152.5	169	43.5	-113.9	-18.4	0	0	0	114
799	T	26.9	Very low	28.7	Very low	130 Å²	130	139.6 Å²	139.6	80%	0.798	76%	0.764	S	S	*	*			trans	-111.5	138	-169.3	-33.9	0	0	0	0	113.2
800	T	28.9	Very low	28.6	Very low	141 Å²	141	140.1 Å²	140.1	87%	0.865	76%	0.761	S	S	*	*			trans	-149.9	138.2	152.1	-1.3	0	0	0	0	114.3
801	V	27.7	Very low	28.6	Very low	127 Å²	127	141.8 Å²	141.8	77%	0.77	77%	0.77	S	S	*	*			trans	-41.1	145	-177.1	-177.4	0	0	0	0	117
802	P	26.3	Very low	28.6	Very low	114 Å²	114	137.2 Å²	137.2	74%	0.74	76%	0.761	S	S	*	*			trans	-85.2	155.2	174.2	35.8	-36.3	0	0	0	113.8
803	V	27.6	Very low	28.9	Very low	130 Å²	130	138.3 Å²	138.3	79%	0.788	77%	0.768	S	S	*	*			trans	-132.2	131.4	165	178.6	0	0	0	0	109.1
804	N	26.6	Very low	28.6	Very low	150 Å²	150	137.5 Å²	137.5	80%	0.802	77%	0.772	S	S	*	*			trans	-91.9	124.3	176.7	-68.5	-31.9	0	0	0	110.6
805	T	29.6	Very low	28.7	Very low	130 Å²	130	138.5 Å²	138.5	80%	0.798	78%	0.777	S	S	*	*			trans	-132.5	118	161.7	39.8	0	0	0	0	110.1
806	C	26.2	Very low	28.8	Very low	126 Å²	126	137.8 Å²	137.8	85%	0.851	79%	0.787	S	S	*	*			trans	-90.7	105.5	-178.5	-64.7	0	0	0	0	111.2
807	Q	27.5	Very low	28.8	Very low	192 Å²	192	136.4 Å²	136.4	90%	0.897	79%	0.794	S	S	*	*			trans	-136.2	70.6	165.3	-86.2	-173.3	-24.8	0	0	111.1	A809	Q807-A809 VanDerWaalsContact C-N 3.28Å; Q807-A809 PolarHBondContact O-N 3.24Å
808	S	29	Very low	28.9	Very low	101 Å²	101	135.8 Å²	135.8	71%	0.706	80%	0.798	S	S	*	*			trans	-77.9	76.6	168.9	42.5	0	0	0	0	111	Y810	S808-Y810 PolarHBondContact O-N 3.1Å
809	A	28.9	Very low	29	Very low	86 Å²	86	135.9 Å²	135.9	71%	0.711	80%	0.797	S	S	*	*			trans	-61.2	117.1	165.9	0	0	0	0	0	109.5	Q807 L811	Q807-A809 VanDerWaalsContact C-N 3.28Å; Q807-A809 PolarHBondContact O-N 3.24Å; A809-L811 PolarHBondContact O-N 2.83Å
810	Y	27.8	Very low	29.4	Very low	207 Å²	207	139.4 Å²	139.4	81%	0.812	80%	0.802	S	S	*	*			trans	-76.9	68.6	-178.7	-102.7	-94.5	0	0	0	111.8	S808 C812	S808-Y810 PolarHBondContact O-N 3.1Å; Y810-C812 VanDerWaalsContact C-N 3.3Å; Y810-C812 PolarHBondContact O-N 3.3Å; Y810-C812 VanDerWaalsContact O-N 3.11Å
811	L	27.8	Very low	29.3	Very low	152 Å²	152	143.4 Å²	143.4	80%	0.796	80%	0.801	S	S	*	*			trans	-78.4	80.7	163.7	-90.1	164.6	0	0	0	109.4	A809 T813	A809-L811 PolarHBondContact O-N 2.83Å; L811-T813 VanDerWaalsContact C-N 3.35Å; L811-T813 PolarHBondContact O-N 2.94Å
812	C	29.9	Very low	29.6	Very low	100 Å²	100	146.4 Å²	146.4	68%	0.676	81%	0.807	S	S	*	*			trans	-73.4	88.3	168.6	-76.1	0	0	0	0	110.3	Y810 L814	Y810-C812 VanDerWaalsContact C-N 3.3Å; Y810-C812 PolarHBondContact O-N 3.3Å; Y810-C812 VanDerWaalsContact O-N 3.11Å; C812-L814 PolarHBondContact O-N 3.3Å
813	T	32.8	Very low	29.9	Very low	127 Å²	127	146.7 Å²	146.7	78%	0.779	80%	0.802	S	S	*	*			trans	-62.8	122.7	164.3	40	0	0	0	0	109.9	L811 D815	L811-T813 VanDerWaalsContact C-N 3.35Å; L811-T813 PolarHBondContact O-N 2.94Å; T813-D815 PolarHBondContact O-N 2.83Å
814	L	28.7	Very low	30.2	Very low	169 Å²	169	149 Å²	149	89%	0.885	80%	0.797	S	S	*	*			trans	-81.2	88.9	-179.8	-72.8	168.7	0	0	0	110.6	C812	C812-L814 PolarHBondContact O-N 3.3Å
815	D	29.1	Very low	30.3	Very low	151 Å²	151	150.7 Å²	150.7	81%	0.807	80%	0.797	S	S	*	*			trans	-149.5	99.9	171.7	-108.2	-40.2	0	0	0	113.4	T813	T813-D815 PolarHBondContact O-N 2.83Å
816	S	32.6	Very low	30.3	Very low	116 Å²	116	153.8 Å²	153.8	81%	0.811	80%	0.8	S	S	*	*			trans	163.5	84.3	149.2	-79.6	0	0	0	0	112.4
817	C	31.7	Very low	30.4	Very low	118 Å²	118	157.6 Å²	157.6	80%	0.797	80%	0.797	S	S	*	*			trans	-145.6	98.2	164.2	-99	0	0	0	0	111.9	L819	C817-L819 VanDerWaalsContact C-N 3.34Å; C817-L819 PolarHBondContact O-N 2.71Å
818	P	30.9	Very low	30.6	Very low	127 Å²	127	155.6 Å²	155.6	83%	0.825	79%	0.791	S	S	*	*			trans	-81.8	74.8	-178.6	33.6	-35.2	0	0	0	111.6	K820	P818-K820 PolarHBondContact O-N 3.18Å
819	L	33	Very low	30.9	Very low	159 Å²	159	156.1 Å²	156.1	83%	0.832	79%	0.792	S	S	*	*			trans	-73.2	105.2	169.5	-75.5	176.1	0	0	0	110.2	C817 R821	C817-L819 VanDerWaalsContact C-N 3.34Å; C817-L819 PolarHBondContact O-N 2.71Å; L819-R821 PolarHBondContact O-N 3.35Å
820	K	34.1	Very low	30.9	Very low	204 Å²	204	158.9 Å²	158.9	89%	0.887	80%	0.795	S	S	*	*			trans	-59.5	131.4	169.8	-67.6	-175	176.8	-176.7	0	109.5	P818	P818-K820 PolarHBondContact O-N 3.18Å
821	R	27.5	Very low	31	Very low	225 Å²	225	154.4 Å²	154.4	85%	0.849	79%	0.792	S	S	*	*			trans	-71.9	177.2	169.7	-77.3	-179.9	161.1	96.2	-5	110.4	L819	L819-R821 PolarHBondContact O-N 3.35Å
822	E	33	Very low	31.4	Very low	190 Å²	190	151.8 Å²	151.8	89%	0.888	79%	0.791	S	S	*	*			trans	78.4	116.7	-173.3	-55.9	156	-136.4	0	0	111.4
823	D	34.3	Very low	31.5	Very low	120 Å²	120	152.7 Å²	152.7	64%	0.642	79%	0.794	S	S	*	*			cis	-153.4	159.6	39.7	-158	-3.8	0	0	0	114.3
824	R	32.3	Very low	31.3	Very low	179 Å²	179	152.9 Å²	152.9	68%	0.675	80%	0.797	S	S	*	*			trans	65.6	103.5	163.6	-73.4	152.9	-135.3	-137	-0	122.1
825	K	30.1	Very low	31.6	Very low	186 Å²	186	150 Å²	150	81%	0.809	79%	0.792	S	S	*	*				47.4	122.7	117.9	-59.8	173.8	-177.1	-176.3	0	119.6
826	F	29	Very low	31.6	Very low	195 Å²	195	150 Å²	150	86%	0.855	79%	0.791	S	S	*	*				-161.1	146.3	111.4	-99.8	-67.6	0	0	0	111.7
827	Y	29.4	Very low	31.6	Very low	206 Å²	206	150.9 Å²	150.9	81%	0.808	79%	0.787	S	S	*	*			trans	27.8	118.2	169.4	-105.1	-98.9	0	0	0	121.9
828	I	30	Very low	31.6	Very low	149 Å²	149	151.9 Å²	151.9	76%	0.764	78%	0.784	S	S	*	*			trans	-116.6	125.8	150.2	-62	172.7	0	0	0	106.4	N830	I828-N830 PolarHBondContact O-N 3.02Å
829	P	35.2	Very low	31.5	Very low	113 Å²	113	149.7 Å²	149.7	73%	0.734	78%	0.777	S	S	*	*			trans	-67.7	113.7	167.8	-16.1	30.9	0	0	0	109.4
830	N	30.6	Very low	31.4	Very low	144 Å²	144	148.9 Å²	148.9	77%	0.77	77%	0.774	S	S	*	*			trans	-83.2	133.6	-179.4	-153.7	41.8	0	0	0	109.6	I828 A832	I828-N830 PolarHBondContact O-N 3.02Å; N830-A832 PolarHBondContact O-N 3.11Å; N830-A832 VanDerWaalsContact O-N 3.17Å
831	P	29.9	Very low	31.2	Very low	113 Å²	113	144.8 Å²	144.8	73%	0.734	76%	0.761	S	S	*	*			trans	-70.4	112.9	-176.3	27.3	-33.9	0	0	0	111.3	V833	P831-V833 PolarHBondContact O-N 3.36Å
832	A	34.4	Very low	31.5	Very low	96 Å²	96	144.7 Å²	144.7	79%	0.793	76%	0.763	S	S	*	*			trans	-89.3	98.5	178.7	0	0	0	0	0	111.4	N830	N830-A832 PolarHBondContact O-N 3.11Å; N830-A832 VanDerWaalsContact O-N 3.17Å
833	V	33.2	Very low	31.2	Very low	119 Å²	119	146.1 Å²	146.1	72%	0.721	76%	0.76	S	S	*	*			trans	30.1	113.9	133.8	-176.7	0	0	0	0	117	P831	P831-V833 PolarHBondContact O-N 3.36Å
834	P	29.3	Very low	31	Very low	131 Å²	131	148 Å²	148	85%	0.851	77%	0.765	S	S	*	*			trans	-72.1	139.1	163.7	31.8	-33	0	0	0	110.6
835	S	34.2	Very low	30.9	Very low	110 Å²	110	145 Å²	145	77%	0.769	76%	0.76	S	S	*	*			trans	-134.3	137.7	167.4	53.5	0	0	0	0	109.1
836	N	28.5	Very low	30.9	Very low	149 Å²	149	146.1 Å²	146.1	80%	0.797	76%	0.759	S	S	*	*			trans	-60	150.2	-179	-69.2	-18.2	0	0	0	111.5
837	D	32.6	Very low	30.8	Very low	136 Å²	136	145.4 Å²	145.4	73%	0.727	76%	0.758	S	S	*	*				-168.7	146.3	99.2	-97.7	-12.1	0	0	0	113.9
838	N	31.9	Very low	30.9	Very low	139 Å²	139	143.7 Å²	143.7	74%	0.743	76%	0.761	S	S	*	*			trans	47.2	97.1	159.9	-54.4	-46.1	0	0	0	117.7
839	A	28.2	Very low	30.7	Very low	81 Å²	81	143.7 Å²	143.7	67%	0.669	76%	0.763	S	S	*	*				61.9	105.5	68.6	0	0	0	0	0	115.3
840	N	32.1	Very low	30.3	Very low	142 Å²	142	142.6 Å²	142.6	76%	0.759	76%	0.758	S	S	*	*				-178.5	145.8	115.1	-94.3	-53.7	0	0	0	112.4
841	N	30.3	Very low	30.1	Very low	118 Å²	118	143 Å²	143	63%	0.631	76%	0.755	S	S	*	*			trans	27	135.9	147.5	-42.1	-38.1	0	0	0	119.8
842	Y	32.1	Very low	30	Very low	223 Å²	223	143.5 Å²	143.5	88%	0.875	75%	0.752	S	S	*	*			cis	-142.5	165.3	38.8	-94.6	-93.5	0	0	0	114.5
843	R	28.2	Very low	29.8	Very low	220 Å²	220	149.1 Å²	149.1	83%	0.83	75%	0.754	S	S	*	*			trans	-93.6	-177.3	166.1	-72	177.7	170.1	174.3	-2.5	110.5
844	E	29.9	Very low	29.6	Very low	159 Å²	159	150.4 Å²	150.4	74%	0.743	76%	0.756	S	S	*	*			trans	86.8	141.4	157.4	-54.8	-162.6	175.7	0	0	116.2
845	M	29.5	Very low	29.6	Very low	116 Å²	116	150.4 Å²	150.4	57%	0.571	75%	0.749	S	S	*	*			cis	-158.7	156.4	-7.3	-121.9	-167.2	-43.8	0	0	114.1
846	R	30.4	Very low	29.4	Very low	209 Å²	209	153 Å²	153	79%	0.789	75%	0.746	S	S	*	*			trans	65.8	141.2	148.5	-69.2	-179.8	-160.5	-174.9	11.1	122.2
847	Q	26.7	Very low	29.5	Very low	180 Å²	180	155.5 Å²	155.5	84%	0.841	75%	0.746	S	S	*	*			trans	-53.8	156.4	158	-53	145.1	-65.8	0	0	112.8
848	I	30.8	Very low	29.4	Very low	171 Å²	171	153.6 Å²	153.6	88%	0.877	74%	0.744	S	S	*	*			trans	-161.5	164.4	130.6	-104	154.4	0	0	0	109.8
849	N	26.2	Very low	29.5	Very low	149 Å²	149	153.8 Å²	153.8	80%	0.797	75%	0.75	S	S	*	*			trans	-81.2	174	-169.7	-62.9	-17.6	0	0	0	114.8
850	S	28	Very low	29.8	Very low	90 Å²	90	156.4 Å²	156.4	63%	0.629	75%	0.753	S	S	*	*			trans	85.3	121.5	143.1	-91	0	0	0	0	120.1
851	Q	26.7	Very low	29.9	Very low	153 Å²	153	157.4 Å²	157.4	72%	0.715	75%	0.752	S	S	*	*				73.5	133	126.6	-70.5	171.4	-94.3	0	0	120.9
852	D	26.8	Very low	30.2	Very low	123 Å²	123	157.3 Å²	157.3	66%	0.658	75%	0.752	S	S	*	*			trans	73.9	162.3	149.3	-49.7	-17.4	0	0	0	119.4
853	Y	30.1	Very low	30.4	Very low	214 Å²	214	154.6 Å²	154.6	84%	0.839	75%	0.745	S	S	*	*			trans	78.9	94.3	170.9	-61.7	-78.5	0	0	0	119.7
854	D	28.3	Very low	30.6	Very low	145 Å²	145	151 Å²	151	78%	0.775	74%	0.74	S	S	*	*			trans	-51.4	155.2	136.6	-65.3	-66.9	0	0	0	111.9
855	L	30.3	Very low	30.7	Very low	132 Å²	132	151.4 Å²	151.4	69%	0.691	74%	0.742	S	S	*	*				152.6	160.3	124.9	-91.6	133.5	0	0	0	114.2
856	F	29.5	Very low	30.9	Very low	163 Å²	163	150.2 Å²	150.2	72%	0.715	75%	0.746	S	S	*	*			trans	71.3	146.7	169.5	-47.1	-70.2	0	0	0	116.3
857	Y	32	Very low	31.1	Very low	203 Å²	203	146.4 Å²	146.4	80%	0.796	75%	0.745	S	S	*	*			cis	-125.3	169.7	6.3	-70.4	-102.5	0	0	0	109.8
858	S	29.9	Very low	31.4	Very low	96 Å²	96	145.6 Å²	145.6	67%	0.671	74%	0.741	S	S	*	*			cis	-153.7	150.4	18.2	-36.2	0	0	0	0	111.7
859	T	33.6	Very low	31.5	Very low	143 Å²	143	143.5 Å²	143.5	88%	0.877	73%	0.731	S	S	*	*				179.1	132.8	123.6	29.8	0	0	0	0	109.5
860	D	34.1	Very low	31.9	Very low	136 Å²	136	144.7 Å²	144.7	73%	0.727	73%	0.732	S	S	*	*			trans	-96.3	165.8	-173	-55.1	-77.7	0	0	0	114.6
861	H	35	Very low	31.8	Very low	162 Å²	162	149.4 Å²	149.4	75%	0.75	74%	0.742	S	S	*	*			trans	82.2	100	155	-68.6	-56.7	0	0	0	122.2
862	D	35.4	Very low	32.2	Very low	116 Å²	116	149.2 Å²	149.2	62%	0.62	75%	0.751	S	S	*	*				94.9	128	115.6	-78	29.4	0	0	0	122
863	K	36.6	Very low	32.4	Very low	166 Å²	166	151.8 Å²	151.8	72%	0.722	76%	0.759	S	S	*	*			trans	80.7	115	158.9	-68.7	148.1	-171	158.1	0	116.5
864	I	32.6	Very low	32.6	Very low	145 Å²	145	147.6 Å²	147.6	74%	0.744	76%	0.758	S	S	*	*				72.6	120	71.8	-69.3	168.3	0	0	0	109.6
865	E	33.4	Very low	32.9	Very low	167 Å²	167	146.1 Å²	146.1	78%	0.78	75%	0.754	S	S	*	*			cis	-158.5	138.5	18.9	-139.2	161.4	-159.4	0	0	115.2
866	S	32	Very low	32.8	Very low	92 Å²	92	147.5 Å²	147.5	64%	0.643	76%	0.761	S	S	*	*			trans	65.7	146	140.2	75.2	0	0	0	0	125.4
867	T	35.5	Very low	33	Very low	128 Å²	128	148 Å²	148	79%	0.785	77%	0.765	S	S	*	*			trans	69.9	143.1	163.1	74	0	0	0	0	117.7
868	H	33.9	Very low	32.8	Very low	163 Å²	163	146.3 Å²	146.3	76%	0.755	76%	0.764	S	S	*	*			cis	-143.8	169.9	-1	-154.9	-101.8	0	0	0	112.1
869	L	30.9	Very low	32.8	Very low	127 Å²	127	151.5 Å²	151.5	67%	0.665	77%	0.771	S	S	*	*			trans	-55.3	164	-179.7	-65.6	148.4	0	0	0	113.8
870	Q	34.5	Very low	32.7	Very low	175 Å²	175	150.6 Å²	150.6	82%	0.818	76%	0.76	S	S	*	*			cis	-164	165.9	34.8	-150.3	150.8	-13.7	0	0	114.1
871	F	27.5	Very low	32.4	Very low	188 Å²	188	151 Å²	151	83%	0.825	76%	0.762	S	S	*	*			trans	-83.8	155.1	177.8	-79.7	-112.6	0	0	0	114.1
872	T	33.6	Very low	32.4	Very low	150 Å²	150	149.7 Å²	149.7	92%	0.92	76%	0.76	S	S	*	*				-173.9	165	115.8	22.1	0	0	0	0	114.1
873	E	32.7	Very low	32.2	Very low	177 Å²	177	150.8 Å²	150.8	83%	0.827	77%	0.766	S	S	*	*			trans	-79	170.6	-162.7	-81.6	176	146	0	0	117.4
874	P	33.8	Very low	32.2	Very low	126 Å²	126	148.5 Å²	148.5	82%	0.818	76%	0.762	S	S	*	*			trans	-83	157.7	-174.7	34.4	-37.7	0	0	0	114.4
875	V	34.5	Very low	32.2	Very low	113 Å²	113	146.9 Å²	146.9	69%	0.685	75%	0.754	S	S	*	*			trans	-128.8	131.7	179.5	-177.5	0	0	0	0	111.7	H877	V875-H877 VanDerWaalsContact CG1-CD2 3.43Å; V875-H877 WeakPolarHBondContact CG1-CD2 3.49Å
876	I	27.9	Very low	32.3	Very low	162 Å²	162	145 Å²	145	83%	0.831	75%	0.75	S	S	*	*			trans	-88.1	125.8	167.7	-62.2	169.3	0	0	0	108.2
877	H	34.8	Very low	32.5	Very low	173 Å²	173	147.2 Å²	147.2	80%	0.801	76%	0.755	S	S	*	*			trans	-133.4	112.7	165.9	-89.8	-56.9	0	0	0	112.6	V875	V875-H877 VanDerWaalsContact CG1-CD2 3.43Å; V875-H877 WeakPolarHBondContact CG1-CD2 3.49Å
878	Q	26.6	Very low	32.3	Very low	168 Å²	168	147 Å²	147	79%	0.785	75%	0.749	S	S	*	*			trans	-111.1	125.1	158.5	170.2	-175.4	8	0	0	105.9
879	Y	30.1	Very low	32.3	Very low	205 Å²	205	144.6 Å²	144.6	80%	0.804	75%	0.749	S	S	*	*			trans	-178.3	145.8	154.1	-97.8	-54.7	0	0	0	112.9
880	N	30.7	Very low	32.3	Very low	124 Å²	124	146.5 Å²	146.5	66%	0.663	75%	0.754	S	S	*	*			trans	60.2	125.3	150.7	-60.2	-10.6	0	0	0	119.1
881	L	28.7	Very low	32.1	Very low	144 Å²	144	144.3 Å²	144.3	75%	0.754	76%	0.757	S	S	*	*				70.6	108.4	59.5	-70.4	169.2	0	0	0	112.9
882	D	34.3	Very low	32.1	Very low	135 Å²	135	140 Å²	140	72%	0.722	75%	0.75	S	S	*	*				176.4	139.3	109.8	-87.6	-16.1	0	0	0	112
883	N	30.8	Very low	31.9	Very low	139 Å²	139	138 Å²	138	74%	0.743	74%	0.743	S	S	*	*			trans	57.5	156.5	145.5	-61.4	-12.3	0	0	0	120.6
884	D	37	Very low	31.6	Very low	118 Å²	118	135.3 Å²	135.3	63%	0.631	74%	0.738	S	S	*	*			cis	-152.7	146.5	9.7	-141.4	17	0	0	0	115.7
885	N	33.7	Very low	31.4	Very low	110 Å²	110	136.9 Å²	136.9	59%	0.588	74%	0.738	S	S	*	*			trans	50.3	111.1	139	-78.8	-35.2	0	0	0	124.6
886	N	34.3	Very low	31.3	Very low	127 Å²	127	137 Å²	137	68%	0.679	74%	0.741	S	S	*	*				116.6	143.4	104.2	-86.5	-29	0	0	0	123.5
887	N	36.6	Very low	31.4	Very low	140 Å²	140	136.6 Å²	136.6	75%	0.749	74%	0.741	S	S	*	*			trans	79.4	134.8	160	-57.8	-44.5	0	0	0	119.9
888	N	32.5	Very low	31.1	Very low	123 Å²	123	137.3 Å²	137.3	66%	0.658	75%	0.745	S	S	*	*			cis	-163.1	178.1	-24.7	-154.2	-10	0	0	0	110.3
889	C	33.9	Very low	31	Very low	113 Å²	113	135 Å²	135	76%	0.764	74%	0.737	S	S	*	*			trans	67.2	92.8	171.9	-55.4	0	0	0	0	114.9
890	Q	29.2	Very low	30.9	Very low	166 Å²	166	133 Å²	133	78%	0.776	73%	0.733	S	S	*	*			cis	79.9	118.8	28.8	-153.1	-172.7	30.9	0	0	115.5
891	C	31.7	Very low	30.7	Very low	129 Å²	129	133.8 Å²	133.8	87%	0.872	74%	0.736	S	S	*	*			trans	152.3	92.3	160.8	-91.8	0	0	0	0	109.3
892	S	26.5	Very low	30.5	Very low	98 Å²	98	133.1 Å²	133.1	69%	0.685	73%	0.732	S	S	*	*			cis	96	81.8	17.5	87.2	0	0	0	0	118.3
893	S	30.6	Very low	30.2	Very low	109 Å²	109	133.6 Å²	133.6	76%	0.762	74%	0.735	S	S	*	*			trans	-178.1	119.1	146.6	47.2	0	0	0	0	109.2
894	T	25.3	Very low	30	Very low	120 Å²	120	137.1 Å²	137.1	74%	0.736	74%	0.738	S	S	*	*				72.9	101.9	59.9	64.3	0	0	0	0	116.6
895	I	29.7	Very low	29.7	Very low	159 Å²	159	139.7 Å²	139.7	82%	0.815	75%	0.746	S	S	*	*				64	147	126.1	-64.5	165.5	0	0	0	117.4
896	P	32.2	Very low	29.5	Very low	116 Å²	116	140.8 Å²	140.8	75%	0.753	75%	0.752	S	S	*	*			cis	-129.8	-167.3	10.2	32.7	-9.9	0	0	0	115.6
897	N	29.7	Very low	29.3	Very low	152 Å²	152	141.3 Å²	141.3	81%	0.813	75%	0.754	S	S	*	*			trans	-50.5	142.7	164.4	-52.2	-31.7	0	0	0	114
898	Q	28.5	Very low	28.9	Very low	189 Å²	189	140.6 Å²	140.6	88%	0.883	75%	0.75	S	S	*	*				-170.2	138	124	-107.3	170.9	25.8	0	0	113.6
899	D	24.4	Very low	28.9	Very low	118 Å²	118	140.2 Å²	140.2	63%	0.631	75%	0.748	S	S	*	*			trans	24	135.9	138.2	-90.8	16.8	0	0	0	123.5
900	K	27.6	Very low	28.7	Very low	163 Å²	163	144.2 Å²	144.2	71%	0.709	75%	0.748	S	S	*	*			trans	85.8	138.9	130.6	-79	-179.7	-179.9	102.5	0	122.3
901	L	26.5	Very low	28.7	Very low	141 Å²	141	143.5 Å²	143.5	74%	0.738	75%	0.745	S	S	*	*			trans	67.1	103	148.3	-61.7	166.4	0	0	0	117.8
902	I	25.1	Very low	28.6	Very low	130 Å²	130	144.6 Å²	144.6	67%	0.667	74%	0.735	S	S	*	*				67	104.3	85.1	-64.1	179.5	0	0	0	114.4	R904	I902-R904 HydrophobicContact CG2-CG 4.46Å
903	N	27.7	Very low	28.7	Very low	145 Å²	145	146 Å²	146	78%	0.775	74%	0.735	S	S	*	*				-157.4	121.2	124	-93.4	-40.7	0	0	0	107.1
904	R	27.5	Very low	28.7	Very low	214 Å²	214	149.3 Å²	149.3	81%	0.808	74%	0.736	S	S	*	*				57.9	108.9	71.8	-73.5	-173.1	160.5	-153.9	-3.8	113	I902	I902-R904 HydrophobicContact CG2-CG 4.46Å
905	Q	30.4	Very low	28.8	Very low	171 Å²	171	150.1 Å²	150.1	80%	0.799	74%	0.735	S	S	*	*				-165.2	152.1	94	-101.4	172.9	8.6	0	0	112.6
906	N	28.6	Very low	28.8	Very low	134 Å²	134	147.2 Å²	147.2	72%	0.717	73%	0.729	S	S	*	*			trans	67.7	134.1	164.7	-53.8	-12.8	0	0	0	119.6
907	L	30.3	Very low	28.5	Very low	138 Å²	138	147.2 Å²	147.2	72%	0.723	73%	0.728	S	S	*	*			cis	-165.6	135.8	-33.1	-143.5	75.9	0	0	0	107.6
908	N	28.6	Very low	28.5	Very low	124 Å²	124	147.1 Å²	147.1	66%	0.663	73%	0.727	S	S	*	*			trans	59	141.7	153	-74.7	32.5	0	0	0	119.9
909	D	32.9	Very low	28.4	Very low	116 Å²	116	144.5 Å²	144.5	62%	0.62	72%	0.723	S	S	*	*			cis	-145.1	157.6	5	-94.9	-40.6	0	0	0	113.1
910	Y	29.8	Very low	28.6	Very low	196 Å²	196	145.1 Å²	145.1	77%	0.769	73%	0.731	S	S	*	*			trans	0	132.8	158.5	-60.9	-89.5	0	0	0	119.4
911	Q	29.5	Very low	28.5	Very low	152 Å²	152	146.3 Å²	146.3	71%	0.71	74%	0.739	S	S	*	*			cis	72.3	139.6	14.4	-146.4	-174.5	11.3	0	0	118
912	F	28.5	Very low	28.5	Very low	151 Å²	151	143.3 Å²	143.3	66%	0.662	74%	0.735	S	S	*	*			trans	81.9	151.3	172.1	-65.2	-73.8	0	0	0	117.3
913	N	28.7	Very low	28.9	Very low	127 Å²	127	144.3 Å²	144.3	68%	0.679	74%	0.742	S	S	*	*			cis	-131.8	154.3	14.8	-150	3.6	0	0	0	116.9
914	K	31.9	Very low	28.9	Very low	179 Å²	179	144.1 Å²	144.1	78%	0.778	74%	0.741	S	S	*	*			trans	-92.8	-167.7	163.6	-84.7	-173.3	173	-176.7	0	109.7
915	N	27.6	Very low	29.2	Very low	137 Å²	137	142.1 Å²	142.1	73%	0.733	74%	0.74	S	S	*	*			trans	109.2	138.2	165	-54.8	-11.2	0	0	0	111.9
916	S	28.2	Very low	29.3	Very low	98 Å²	98	142.2 Å²	142.2	69%	0.685	74%	0.738	S	S	*	*			cis	-154.7	143.7	-6.4	25.5	0	0	0	0	107.2
917	T	27.3	Very low	29.4	Very low	117 Å²	117	142.7 Å²	142.7	72%	0.718	74%	0.738	S	S	*	*				59.8	140.1	87.5	-33.5	0	0	0	0	113.9
918	D	29.6	Very low	29.6	Very low	150 Å²	150	143.1 Å²	143.1	80%	0.802	74%	0.736	S	S	*	*			trans	109.6	111.5	178.4	-56.9	-11.4	0	0	0	111.3
919	V	25.6	Very low	29.6	Very low	133 Å²	133	141.5 Å²	141.5	81%	0.806	73%	0.734	S	S	*	*			cis	82.2	75.2	36.8	-168.9	0	0	0	0	113.9
920	V	27.9	Very low	29.5	Very low	131 Å²	131	142.8 Å²	142.8	79%	0.794	74%	0.741	S	S	*	*			trans	-148.1	115.9	146.4	179.7	0	0	0	0	103.8
921	E	25.5	Very low	29.4	Very low	188 Å²	188	140 Å²	140	88%	0.879	74%	0.739	S	S	*	*				78.5	168.6	70.4	-139.9	165.7	-138.3	0	0	113.4
922	A	26.6	Very low	29.3	Very low	78 Å²	78	140.4 Å²	140.4	65%	0.645	75%	0.745	S	S	*	*			trans	-58.3	159.9	-160.6	0	0	0	0	0	114.5
923	D	33.2	Very low	29.1	Very low	152 Å²	152	142.1 Å²	142.1	81%	0.813	76%	0.755	S	S	*	*				-160.1	174	62.1	-119.6	-39.2	0	0	0	117.4
924	N	28.1	Very low	29	Very low	141 Å²	141	140.5 Å²	140.5	75%	0.754	75%	0.754	S	S	*	*			trans	-92.2	151.7	179.4	-59.9	-95.7	0	0	0	112.5
925	E	34.9	Very low	28.8	Very low	171 Å²	171	139.3 Å²	139.3	80%	0.799	76%	0.756	S	S	*	*				-176.2	129.6	123	-96.8	-176.7	168.9	0	0	109.2
926	K	31.7	Very low	28.7	Very low	173 Å²	173	140 Å²	140	75%	0.752	76%	0.76	S	S	*	*				56.1	131.7	90.7	-93	179.3	179.8	173.3	0	112.9
927	M	31	Very low	28.7	Very low	144 Å²	144	141.7 Å²	141.7	71%	0.709	76%	0.761	S	S	*	*			cis	-145.2	169.5	19.8	-74.6	-178.7	164	0	0	109.1
928	E	34.1	Very low	28.9	Very low	147 Å²	147	143.3 Å²	143.3	69%	0.687	77%	0.765	S	S	*	*			cis	-155.5	140.8	-12.3	-110.5	165	176.8	0	0	105.7
929	S	29.6	Very low	28.7	Very low	90 Å²	90	145.3 Å²	145.3	63%	0.629	77%	0.767	S	S	*	*				48.1	135.7	99.7	96.8	0	0	0	0	115.4
930	L	30.5	Very low	28.9	Very low	143 Å²	143	146.7 Å²	146.7	75%	0.749	77%	0.769	S	S	*	*			cis	-144.9	147.1	39	-74.9	163.9	0	0	0	115.4
931	N	28.3	Very low	28.8	Very low	139 Å²	139	144.4 Å²	144.4	74%	0.743	76%	0.759	S	S	*	*			trans	61.3	110.4	138.7	-60.3	-1.3	0	0	0	122
932	L	26.4	Very low	28.9	Very low	160 Å²	160	142.6 Å²	142.6	84%	0.838	76%	0.755	S	S	*	*			trans	-49.7	146.1	136.3	-66.2	62	0	0	0	110.4
933	Q	25.5	Very low	29.2	Very low	186 Å²	186	144.1 Å²	144.1	87%	0.869	76%	0.758	S	S	*	*				-167.6	152.1	112.9	-108.6	172.1	-25.5	0	0	114.1
934	S	25.3	Very low	28.8	Very low	94 Å²	94	144 Å²	144	66%	0.657	76%	0.756	S	S	*	*			trans	-62.9	144.4	178.8	47.7	0	0	0	0	114.1
935	N	28.4	Very low	28.9	Very low	153 Å²	153	144.9 Å²	144.9	82%	0.818	76%	0.76	S	S	*	*			trans	-144.8	81.4	158.7	-92.8	-58.8	0	0	0	109.8
936	D	25.6	Very low	28.5	Very low	151 Å²	151	140.5 Å²	140.5	81%	0.807	75%	0.748	S	S	*	*			trans	-68.7	123.9	160.8	-66.2	-61.6	0	0	0	108.8
937	N	28.4	Very low	28.3	Very low	134 Å²	134	139.3 Å²	139.3	72%	0.717	75%	0.75	S	S	*	*			trans	-166.6	155.8	169.8	-111.7	-57.3	0	0	0	112.9
938	L	30.2	Very low	28.1	Very low	151 Å²	151	138.6 Å²	138.6	79%	0.791	75%	0.749	S	S	*	*			trans	66.4	88.4	173.3	-56.1	166.4	0	0	0	114.4
939	F	25.4	Very low	27.9	Very low	192 Å²	192	137.8 Å²	137.8	84%	0.842	76%	0.759	S	S	*	*				53.8	128.6	71.8	-81.1	-93.2	0	0	0	116.3
940	L	30.9	Very low	27.9	Very low	163 Å²	163	140 Å²	140	85%	0.853	76%	0.763	S	S	*	*			trans	138.6	87.2	156	-77.9	164	0	0	0	108.4
941	S	26.2	Very low	28.1	Very low	83 Å²	83	143.2 Å²	143.2	58%	0.58	77%	0.766	S	S	*	*				74.5	107.8	66.4	78.6	0	0	0	0	115.3
942	D	26.3	Very low	28.1	Very low	149 Å²	149	144.2 Å²	144.2	80%	0.797	76%	0.764	S	S	*	*			trans	71.3	167.7	150.6	-46.3	-32.8	0	0	0	117.1
943	P	32.8	Very low	28.4	Very low	111 Å²	111	141.3 Å²	141.3	72%	0.721	76%	0.757	S	S	*	*				-132.9	-151.1	-101.9	32.7	-8.3	0	0	0	113.5
944	I	25.6	Very low	28.8	Very low	148 Å²	148	138.5 Å²	138.5	76%	0.759	75%	0.748	S	S	*	*			trans	90.4	152.7	177.6	-50.8	157.2	0	0	0	113.4
945	L	30	Very low	28.9	Very low	160 Å²	160	140.1 Å²	140.1	84%	0.838	76%	0.758	S	S	*	*			trans	82	91.2	-161.1	-56.7	169.2	0	0	0	112.3
946	S	26.2	Very low	29	Very low	80 Å²	80	141.5 Å²	141.5	56%	0.559	77%	0.772	S	S	*	*			cis	59.6	101.6	21.2	81.3	0	0	0	0	116
947	N	26.8	Very low	29.2	Very low	147 Å²	147	141.1 Å²	141.1	79%	0.786	77%	0.77	S	S	*	*			trans	89.8	148.9	159.3	-52.8	-9.1	0	0	0	119.2
948	D	28.4	Very low	29.3	Very low	129 Å²	129	141.4 Å²	141.4	69%	0.69	77%	0.773	S	S	*	*			trans	65.8	64.7	157.1	-57	-11.8	0	0	0	120	L950	D948-L950 HydrophobicContact CB-CD1 4.25Å; D948-L950 HydrophobicContact CB-CG 4.25Å; D948-L950 PolarHBondContact O-N 2.86Å
949	C	29.6	Very low	29.2	Very low	131 Å²	131	140.9 Å²	140.9	89%	0.885	77%	0.772	S	S	*	*			trans	-68.8	60.3	149.5	-67.8	0	0	0	0	111.9	Y951	C949-Y951 PolarHBondContact O-N 3.21Å
950	L	29.7	Very low	29.4	Very low	137 Å²	137	137.9 Å²	137.9	72%	0.717	77%	0.767	S	S	*	*			trans	-68.9	97.6	172.2	-81.5	168.2	0	0	0	110	D948 K952	D948-L950 HydrophobicContact CB-CD1 4.25Å; D948-L950 HydrophobicContact CB-CG 4.25Å; D948-L950 PolarHBondContact O-N 2.86Å; L950-K952 PolarHBondContact O-N 3.03Å
951	Y	33.2	Very low	29.3	Very low	210 Å²	210	136.3 Å²	136.3	82%	0.824	76%	0.762	S	S	*	*			trans	-65.3	85.7	167.1	-103.5	-83.8	0	0	0	110.1	C949 S953	C949-Y951 PolarHBondContact O-N 3.21Å; Y951-S953 VanDerWaalsContact C-N 3.25Å; Y951-S953 PolarHBondContact O-N 3.25Å
952	K	28.5	Very low	29.5	Very low	160 Å²	160	139.9 Å²	139.9	70%	0.696	77%	0.774	S	S	*	*			trans	-83.4	68.2	179.3	-164.2	-169.2	175.1	-147.6	0	110.8	L950 D954	L950-K952 PolarHBondContact O-N 3.03Å; K952-D954 VanDerWaalsContact CE-OD1 3.31Å; K952-D954 WeakPolarHBondContact CE-OD1 3.43Å; K952-D954 IonicContact NZ-OD1 3.89Å; K952-D954 IonicContact NZ-OD2 3.37Å; K952-D954 PolarHBondContact O-N 3.17Å; K952-D954 VanDerWaalsContact O-N 3.09Å
953	S	34.3	Very low	29.8	Very low	99 Å²	99	139.2 Å²	139.2	69%	0.692	77%	0.772	S	S	*	*			trans	-72	92.4	165.4	34.9	0	0	0	0	109.5	Y951 C955	Y951-S953 VanDerWaalsContact C-N 3.25Å; Y951-S953 PolarHBondContact O-N 3.25Å; S953-C955 PolarHBondContact O-N 3.38Å
954	D	32.1	Very low	29.5	Very low	126 Å²	126	141.4 Å²	141.4	67%	0.674	78%	0.776	S	S	*	*			trans	-55.8	130.9	174.2	-75.2	-39.8	0	0	0	110.2	K952	K952-D954 VanDerWaalsContact CE-OD1 3.31Å; K952-D954 WeakPolarHBondContact CE-OD1 3.43Å; K952-D954 IonicContact NZ-OD1 3.89Å; K952-D954 IonicContact NZ-OD2 3.37Å; K952-D954 PolarHBondContact O-N 3.17Å; K952-D954 VanDerWaalsContact O-N 3.09Å
955	C	29.1	Very low	29.9	Very low	128 Å²	128	140.8 Å²	140.8	87%	0.865	78%	0.778	S	S	*	*			trans	-82.1	144.4	-166	-47.8	0	0	0	0	113.9	S953	S953-C955 PolarHBondContact O-N 3.38Å
956	V	30.7	Very low	29.9	Very low	183 Å²	183	139.1 Å²	139.1	100%	1.109	77%	0.772	S	S	*	*			trans	-138.7	0	163.1	-178.9	0	0	0	0	109.4

Retrieved 956 of 956 residues in 126.5 ms (Link to these results)

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