A0A3Q0KE96_SCHMA Loading...

ETS domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KE96, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 723 aa.

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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	38	Very low	32.9	Very low	224 Å²	224	154.8 Å²	154.8	100%	1.103	80%	0.796	S	S	*	*				0	150.1	0	-80.1	103.2	160.8	0	0	109.3
2	E	30	Very low	32.6	Very low	180 Å²	180	153.4 Å²	153.4	84%	0.841	78%	0.784	S	S	*	*			trans	42.7	102.2	147.3	-74	154.6	135.1	0	0	121.4
3	M	31.7	Very low	32.7	Very low	172 Å²	172	154.8 Å²	154.8	85%	0.847	79%	0.785	S	S	*	*				-30.6	160.9	122.8	-75.2	168.3	64.2	0	0	114.6
4	S	34.5	Very low	32.4	Very low	96 Å²	96	150.9 Å²	150.9	67%	0.671	78%	0.779	S	S	*	*			cis	-175.3	158.5	0.4	42.5	0	0	0	0	110.2
5	S	38.7	Very low	31.9	Very low	114 Å²	114	156.4 Å²	156.4	80%	0.797	79%	0.786	S	S	*	*			trans	-156.7	161	161.7	63	0	0	0	0	109.5
6	W	33.7	Very low	31.8	Very low	254 Å²	254	156.6 Å²	156.6	96%	0.962	79%	0.789	S	S	*	*			cis	-149.9	165.4	-40.5	-119.6	4.4	0	0	0	106.7
7	S	30.2	Very low	31.7	Very low	100 Å²	100	153.6 Å²	153.6	70%	0.699	79%	0.785	S	S	*	*			trans	-95.3	164	-175.1	175.7	0	0	0	0	112.2
8	S	30.4	Very low	31.7	Very low	93 Å²	93	153.2 Å²	153.2	65%	0.65	79%	0.785	S	S	*	*			trans	66.6	155.8	149.1	37.8	0	0	0	0	117.1
9	D	31.1	Very low	31.7	Very low	137 Å²	137	153 Å²	153	73%	0.733	79%	0.785	S	S	*	*			cis	-160.6	-169.7	-15.6	-115.2	-44.9	0	0	0	108.4
10	F	31.5	Very low	31.8	Very low	189 Å²	189	153.7 Å²	153.7	83%	0.829	79%	0.789	S	S	*	*			trans	77.3	135.5	167.2	-65.3	-94.1	0	0	0	117
11	K	32.3	Very low	31.9	Very low	144 Å²	144	153.1 Å²	153.1	63%	0.626	79%	0.788	S	S	*	*			cis	142.6	133	-20.3	173.2	172.2	-179.3	-84.5	0	108.6
12	E	29.7	Very low	31.9	Very low	138 Å²	138	148.9 Å²	148.9	65%	0.645	78%	0.779	S	S	*	*			trans	77.1	152.5	161.9	-95.9	157.5	-167.1	0	0	121.2
13	Q	33	Very low	32.2	Very low	171 Å²	171	147 Å²	147	80%	0.799	78%	0.775	S	S	*	*			trans	72.4	143.5	168.7	-61.9	159.8	65.2	0	0	116.8
14	S	28.3	Very low	32.3	Very low	101 Å²	101	146.6 Å²	146.6	71%	0.706	77%	0.773	S	S	*	*			cis	-164.1	141.6	-20.4	-105.5	0	0	0	0	111.2
15	R	26.3	Very low	32.3	Very low	233 Å²	233	149.2 Å²	149.2	88%	0.879	78%	0.779	S	S	*	*			trans	23.4	133.7	152.6	-70.2	-179.8	175.6	167	-1.7	121.9
16	L	28.9	Very low	32.1	Very low	159 Å²	159	152.7 Å²	152.7	83%	0.832	78%	0.776	S	S	*	*			trans	75.8	164.1	147.9	-96.1	70.5	0	0	0	118.2
17	C	30.7	Very low	32.2	Very low	106 Å²	106	148.4 Å²	148.4	72%	0.716	77%	0.771	S	S	*	*			trans	68.2	141	-175.6	-60.3	0	0	0	0	116
18	D	31.4	Very low	32.4	Very low	147 Å²	147	150 Å²	150	79%	0.786	77%	0.772	S	S	*	*			cis	-155.4	-174.7	-20.2	-100.9	-27.5	0	0	0	109.6
19	D	31.3	Very low	32.5	Very low	149 Å²	149	151.6 Å²	151.6	80%	0.797	78%	0.783	S	S	*	*			trans	-60.8	172.9	-174.7	-71.2	-62.5	0	0	0	117.3
20	L	34.2	Very low	32.4	Very low	166 Å²	166	146.3 Å²	146.3	87%	0.869	76%	0.761	S	S	*	*			trans	114.8	137.1	148.9	-71.7	161.1	0	0	0	119.7
21	D	34.7	Very low	32.5	Very low	142 Å²	142	143.7 Å²	143.7	76%	0.759	75%	0.745	S	S	*	*			trans	-74	165.6	-179	-53.2	-90.3	0	0	0	113.9
22	C	36.7	Very low	32.5	Very low	136 Å²	136	145.9 Å²	145.9	92%	0.919	75%	0.751	S	S	*	*			trans	-137	122.3	154.6	-90.9	0	0	0	0	109.7
23	D	37	Very low	32.6	Very low	141 Å²	141	146 Å²	146	75%	0.754	75%	0.751	S	S	*	*			trans	-74.4	160.4	-178.8	-76.6	-63.5	0	0	0	114.1
24	M	34.1	Very low	32.4	Very low	162 Å²	162	147.4 Å²	147.4	80%	0.798	75%	0.749	S	S	*	*			trans	-154.9	99.9	133.2	-95.6	-57.5	-71.1	0	0	109.8
25	D	34.9	Very low	32.6	Very low	151 Å²	151	150.6 Å²	150.6	81%	0.807	76%	0.757	S	S	*	*				-174.2	103.4	130	-100.3	-15.8	0	0	0	110.9
26	Y	34.5	Very low	32.8	Very low	187 Å²	187	143.3 Å²	143.3	73%	0.733	75%	0.747	S	S	*	*			trans	-79.4	145.1	175.2	-97.1	-125.7	0	0	0	111.6	L28	Y26-L28 HydrophobicContact CD1-CD1 3.67Å; Y26-L28 HydrophobicContact CE1-CD1 4.11Å
27	L	35.1	Very low	32.9	Very low	164 Å²	164	141.5 Å²	141.5	86%	0.859	75%	0.748	S	S	*	*				-172.2	88.9	116.7	-98.8	172.4	0	0	0	112.8
28	L	35.6	Very low	33	Very low	135 Å²	135	140.4 Å²	140.4	71%	0.707	75%	0.747	S	S	*	*			trans	31.6	119.5	155.2	-81.6	68.2	0	0	0	121.4	Y26	Y26-L28 HydrophobicContact CD1-CD1 3.67Å; Y26-L28 HydrophobicContact CE1-CD1 4.11Å
29	S	30.6	Very low	33	Very low	126 Å²	126	138.6 Å²	138.6	88%	0.881	74%	0.737	S	S	*	*			trans	-73.9	163.7	148.6	-179.4	0	0	0	0	111.5
30	G	30.6	Very low	33.3	Very low	26 Å²	26	134.9 Å²	134.9	27%	0.268	72%	0.719	S	S	.	*			trans	-175.8	98.7	172.3	0	0	0	0	0	117.6	S169	G30-S169 PolarHBondContact O-N 3.44Å
31	R	32.4	Very low	33.2	Very low	134 Å²	134	129.8 Å²	129.8	51%	0.506	70%	0.695	S	S	.	*			trans	72.7	153.5	169	-48.5	-178.9	173.6	169.4	-8.4	115.1	S167	R31-S167 VanDerWaalsContact NH1-CB 3.29Å
32	Y	33	Very low	33.2	Very low	190 Å²	190	129 Å²	129	75%	0.745	70%	0.696	S	S	*	*			cis	-131.7	157.2	14.3	-94.4	-92.7	0	0	0	113.6
33	E	31.3	Very low	33.1	Very low	139 Å²	139	129.1 Å²	129.1	65%	0.65	68%	0.682	S	S	*	*			trans	-145.9	150.8	156.8	-152.6	-155.9	-146	0	0	110.1
34	R	28.4	Very low	32.9	Very low	201 Å²	201	128.3 Å²	128.3	76%	0.758	69%	0.687	S	S	*	*			trans	49	116	166.5	-82.5	-178.7	-88.7	-153.2	-13.1	120.4
35	L	32.6	Very low	32.8	Very low	168 Å²	168	127 Å²	127	88%	0.88	68%	0.683	S	S	*	*				-172.4	116.2	114.7	-89.6	169.3	0	0	0	105.2
36	A	30.5	Very low	32.7	Very low	81 Å²	81	125.4 Å²	125.4	67%	0.669	68%	0.683	S	S	*	*				83	138.4	69.6	0	0	0	0	0	114.2
37	S	31	Very low	32.7	Very low	120 Å²	120	123 Å²	123	84%	0.839	69%	0.688	S	S	*	*			trans	65	103.4	173.9	38.7	0	0	0	0	120.2
38	A	33	Very low	32.5	Very low	84 Å²	84	123.5 Å²	123.5	69%	0.694	69%	0.686	S	S	*	*			trans	57	118.3	141.9	0	0	0	0	0	121.9
39	N	32.5	Very low	32.3	Very low	108 Å²	108	122.7 Å²	122.7	58%	0.578	69%	0.692	S	S	*	*			trans	157.5	157.1	146.7	-83.1	-13.2	0	0	0	113	N500	N39-N500 WeakPolarHBondContact CA-OD1 3.47Å; N39-N500 PolarHBondContact OD1-ND2 3.08Å
40	T	35.9	Very low	32.3	Very low	71 Å²	71	121.2 Å²	121.2	44%	0.436	68%	0.681	S	S	.	*			cis	-160.9	166.3	-10.2	27.4	0	0	0	0	113.5	N498 N500	T40-N498 HydrophobicContact CG2-CB 3.76Å; T40-N500 WeakPolarHBondContact CA-OD1 3.5Å
41	T	33.3	Very low	32.4	Very low	59 Å²	59	130 Å²	130	36%	0.362	71%	0.713	S	S	.	*			trans	-134.8	167.5	169.7	66.2	0	0	0	0	111.1	N498 N499 N500	T41-N498 CarbonylContact O-C 3.59Å; T41-N498 VanDerWaalsContact O-C 3.3Å; T41-N499 CarbonylContact O-C 3.3Å; T41-N499 PolarHBondContact O-N 3.11Å; T41-N500 VanDerWaalsContact CG2-C 3.45Å; T41-N500 VanDerWaalsContact CG2-O 3.28Å; T41-N500 WeakPolarHBondContact CG2-O 3.46Å; T41-N500 VanDerWaalsContact N-CA 3.32Å; T41-N500 WeakPolarHBondContact OG1-CA 3.23Å; T41-N500 PolarHBondContact OG1-N 3.24Å; T41-N500 PolarHBondContact OG1-O 2.98Å
42	V	34.5	Very low	32.5	Very low	126 Å²	126	128.1 Å²	128.1	76%	0.764	73%	0.725	S	S	*	*				-158.2	160.4	81.7	153.8	0	0	0	0	112.1	N499	V42-N499 VanDerWaalsContact CG2-O 3.27Å; V42-N499 WeakPolarHBondContact CG2-O 3.14Å
43	H	33.7	Very low	32.5	Very low	138 Å²	138	126.9 Å²	126.9	64%	0.639	73%	0.731	S	S	*	*			trans	-98.1	159.2	-173.7	-155.9	-43.3	0	0	0	113.5	N45	H43-N45 PolarHBondContact CE1-OD1 2.9Å
44	C	32.6	Very low	32.7	Very low	125 Å²	125	125.6 Å²	125.6	85%	0.845	74%	0.735	S	S	*	*			trans	-141.7	160.7	154.1	-103	0	0	0	0	112.4
45	N	32.3	Very low	32.9	Very low	134 Å²	134	125.7 Å²	125.7	72%	0.717	74%	0.74	S	S	*	*			trans	-141.9	154.2	-167.6	-84.2	-42.6	0	0	0	113.1	H43	H43-N45 PolarHBondContact CE1-OD1 2.9Å
46	S	33.5	Very low	33	Very low	118 Å²	118	123.2 Å²	123.2	83%	0.825	74%	0.737	S	S	*	*			trans	162.5	162.2	148.8	54	0	0	0	0	109.1
47	V	34.3	Very low	33.3	Very low	136 Å²	136	128 Å²	128	82%	0.824	74%	0.743	S	S	*	*			cis	-130.8	157.5	11.8	176.4	0	0	0	0	109.9
48	Q	30.3	Very low	33.4	Very low	174 Å²	174	129.6 Å²	129.6	81%	0.813	74%	0.742	S	S	*	*			trans	-116.6	139.9	179.2	179.1	-174.8	11.7	0	0	111.3
49	S	33.1	Very low	33.4	Very low	119 Å²	119	130.4 Å²	130.4	83%	0.832	74%	0.743	S	S	*	*			trans	-156.8	152.9	159.2	58.8	0	0	0	0	112.6
50	S	30.2	Very low	33.4	Very low	95 Å²	95	130.3 Å²	130.3	66%	0.664	75%	0.75	S	S	*	*			trans	-113.6	165.9	-173.7	-45.8	0	0	0	0	110.9
51	F	32.8	Very low	33.1	Very low	211 Å²	211	136.1 Å²	136.1	93%	0.925	77%	0.77	S	S	*	*				178.4	146.2	124.4	-103.9	-70.1	0	0	0	115.6
52	A	34.2	Very low	33	Very low	93 Å²	93	138.5 Å²	138.5	77%	0.769	79%	0.788	S	S	*	*			trans	55.1	116.1	148.2	0	0	0	0	0	123.3
53	L	32.1	Very low	32.5	Very low	164 Å²	164	138 Å²	138	86%	0.859	79%	0.789	S	S	*	*			trans	-93.8	158.5	146.6	-95.7	158.5	0	0	0	109.5
54	P	36	Very low	32.5	Very low	113 Å²	113	136.4 Å²	136.4	73%	0.734	79%	0.791	S	S	*	*				-154.7	132.7	108.2	35.5	-16	0	0	0	118.9
55	K	31.8	Very low	32.4	Very low	203 Å²	203	136.9 Å²	136.9	88%	0.883	79%	0.786	S	S	*	*				41	112.2	127.5	-55.5	175.3	-178	176	0	121.4
56	S	35.9	Very low	32.3	Very low	116 Å²	116	138.5 Å²	138.5	81%	0.811	79%	0.789	S	S	*	*			trans	-165.7	158.9	133.1	73.1	0	0	0	0	110
57	K	37	Very low	32	Very low	182 Å²	182	140.5 Å²	140.5	79%	0.791	79%	0.789	S	S	*	*			cis	-161.4	153	-38.1	-120.1	-177	-179.1	179.9	0	107
58	N	32.8	Very low	31.7	Very low	152 Å²	152	144 Å²	144	81%	0.813	79%	0.789	S	S	*	*			trans	69.3	145.2	172.7	-47.4	-15.7	0	0	0	114.4
59	S	32.4	Very low	31.8	Very low	102 Å²	102	138.5 Å²	138.5	71%	0.713	77%	0.768	S	S	*	*			cis	-156.6	146	-5.4	42.3	0	0	0	0	110.7
60	S	32.5	Very low	31.7	Very low	106 Å²	106	136 Å²	136	74%	0.741	75%	0.745	S	S	*	*			trans	56.5	136	160.4	55	0	0	0	0	119.4
61	F	29.7	Very low	31.6	Very low	193 Å²	193	137.6 Å²	137.6	85%	0.846	75%	0.746	S	S	*	*			cis	-160.2	153.5	-10.4	-137.4	-94.4	0	0	0	108.2
62	C	30.6	Very low	31.5	Very low	108 Å²	108	131.8 Å²	131.8	73%	0.73	73%	0.731	S	S	*	*			trans	25.9	106.9	169	-67	0	0	0	0	121.7
63	S	24.5	Very low	31.3	Very low	115 Å²	115	134.1 Å²	134.1	80%	0.804	73%	0.73	S	S	*	*				-91.6	175.6	125.4	-43.7	0	0	0	0	108.3
64	P	34.3	Very low	31.2	Very low	105 Å²	105	136.1 Å²	136.1	68%	0.682	73%	0.732	S	S	*	*			cis	-137.3	-160.4	1.4	38.4	-16.5	0	0	0	114.2
65	N	30.2	Very low	31.2	Very low	135 Å²	135	135.8 Å²	135.8	72%	0.722	73%	0.73	S	S	*	*			trans	96.2	124.3	152.9	-67.6	-11.9	0	0	0	121.5
66	Q	29.2	Very low	31.1	Very low	169 Å²	169	131.5 Å²	131.5	79%	0.79	72%	0.724	S	S	*	*			trans	80	108.8	143.9	-71.5	174.9	-6.5	0	0	121.5
67	I	28.7	Very low	30.9	Very low	160 Å²	160	136.1 Å²	136.1	82%	0.821	72%	0.724	S	S	*	*			trans	87.8	129.3	145.2	-56.8	164.4	0	0	0	117.3
68	Y	26.2	Very low	30.6	Very low	208 Å²	208	135.1 Å²	135.1	82%	0.816	72%	0.722	S	S	*	*			trans	-84.9	170.6	-176.3	-81.4	-78.3	0	0	0	113.4
69	P	33	Very low	30.4	Very low	60 Å²	60	133.8 Å²	133.8	39%	0.39	72%	0.719	S	S	.	*			cis	-125.4	-161	-25.4	22.2	0.6	0	0	0	111.5	D92	P69-D92 HydrophobicContact CG-CB 4.01Å; P69-D92 VanDerWaalsContact CG-CG 3.47Å; P69-D92 WeakPolarHBondContact CG-OD2 3.04Å
70	I	30.5	Very low	30.3	Very low	66 Å²	66	135.6 Å²	135.6	34%	0.338	72%	0.719	S	S	.	*				165.9	162.3	122.2	-68.8	143.5	0	0	0	110.2	F90 D92	I70-F90 HydrophobicContact CB-CD1 3.57Å; I70-F90 HydrophobicContact CB-CE1 3.65Å; I70-F90 HydrophobicContact CB-CG 4.15Å; I70-F90 HydrophobicContact CB-CZ 4.31Å; I70-F90 HydrophobicContact CD1-CB 4.34Å; I70-F90 HydrophobicContact CD1-CD1 3.83Å; I70-F90 HydrophobicContact CD1-CG 4.41Å; I70-F90 HydrophobicContact CG1-CD1 4.25Å; I70-F90 HydrophobicContact CG2-CB 3.89Å; I70-F90 HydrophobicContact CG2-CD1 3.2Å; I70-F90 HydrophobicContact CG2-CD2 3.6Å; I70-F90 HydrophobicContact CG2-CE1 3.46Å; I70-F90 VanDerWaalsContact CG2-CE1 3.46Å; I70-F90 HydrophobicContact CG2-CE2 3.85Å; I70-F90 HydrophobicContact CG2-CG 3.26Å; I70-F90 HydrophobicContact CG2-CZ 3.78Å; I70-D92 WeakPolarHBondContact CG1-OD2 3.45Å
71	N	29.6	Very low	30.2	Very low	128 Å²	128	136.1 Å²	136.1	68%	0.684	72%	0.718	S	S	*	*			trans	-74.1	164.9	-164	-67	-44.6	0	0	0	119.7	F90	N71-F90 VanDerWaalsContact O-CE2 3.22Å; N71-F90 WeakPolarHBondContact O-CE2 3.27Å; N71-F90 WeakPolarHBondContact O-CZ 3.44Å
72	S	30.2	Very low	30.1	Very low	89 Å²	89	131.9 Å²	131.9	62%	0.622	71%	0.711	S	S	*	*			trans	87.9	130.7	140.2	76.9	0	0	0	0	120.8
73	I	30.7	Very low	30.2	Very low	143 Å²	143	132.3 Å²	132.3	73%	0.733	72%	0.715	S	S	*	*				-175.4	124	123.2	-91.5	154.5	0	0	0	108.3
74	F	29.6	Very low	30.3	Very low	206 Å²	206	131.2 Å²	131.2	90%	0.904	71%	0.707	S	S	*	*				-171.7	134.5	129.8	-106.8	-69.5	0	0	0	109.4
75	P	34.9	Very low	30.3	Very low	106 Å²	106	137.5 Å²	137.5	69%	0.688	72%	0.717	S	S	*	*			trans	-130.8	-159.4	-158.2	41.5	-22.7	0	0	0	115
76	C	30.3	Very low	30.3	Very low	113 Å²	113	136.2 Å²	136.2	76%	0.764	72%	0.717	S	S	*	*			trans	90.2	138.2	173.9	-60.8	0	0	0	0	116
77	R	31.1	Very low	30.4	Very low	213 Å²	213	134.2 Å²	134.2	80%	0.804	72%	0.72	S	S	*	*			cis	-153.4	135.8	3.7	-136.4	175.8	-177.3	174.8	3.3	112.4
78	Q	31	Very low	30.4	Very low	161 Å²	161	133.9 Å²	133.9	75%	0.752	72%	0.72	S	S	*	*			trans	21.7	143.9	147.5	-71.3	155.6	-34.4	0	0	120.3
79	V	30	Very low	30.9	Very low	123 Å²	123	128.3 Å²	128.3	75%	0.745	71%	0.71	S	S	*	*				-157.8	121.3	72	154.3	0	0	0	0	113.5
80	I	30.3	Very low	30.8	Very low	141 Å²	141	131.2 Å²	131.2	72%	0.723	72%	0.716	S	S	*	*			trans	56.1	132.3	134.6	-56.6	-178	0	0	0	121
81	T	29	Very low	30.9	Very low	117 Å²	117	133.4 Å²	133.4	72%	0.718	74%	0.737	S	S	*	*			cis	-170.7	144.8	-22.9	38.7	0	0	0	0	111.9
82	C	28.4	Very low	30.8	Very low	104 Å²	104	131.7 Å²	131.7	70%	0.703	73%	0.728	S	S	*	*			trans	57	167.7	155	-100.7	0	0	0	0	117.7	C84	C82-C84 WeakPolarHBondContact CB-SG 3.28Å; C82-C84 WeakPolarHBondContact SG-CB 3.1Å; C82-C84 PolarHBondContact SG-N 2.7Å; C82-C84 CovalentContact SG-SG 2.07Å; C82-C84 PolarHBondContact SG-SG 3.44Å
83	S	32.1	Very low	30.7	Very low	117 Å²	117	133.6 Å²	133.6	82%	0.818	73%	0.731	S	S	*	*	S	Bend	cis	-102.7	91.2	22.6	58.7	0	0	0	0	116.9
84	C	27.9	Very low	30.5	Very low	92 Å²	92	134 Å²	134	62%	0.622	73%	0.734	S	S	*	*				41.5	131.2	129.7	-20.2	0	0	0	0	119.4	C82	C82-C84 WeakPolarHBondContact CB-SG 3.28Å; C82-C84 WeakPolarHBondContact SG-CB 3.1Å; C82-C84 PolarHBondContact SG-N 2.7Å; C82-C84 CovalentContact SG-SG 2.07Å; C82-C84 PolarHBondContact SG-SG 3.44Å
85	R	34.4	Very low	30.6	Very low	237 Å²	237	129.5 Å²	129.5	89%	0.894	73%	0.728	S	S	*	*				-144.5	127.2	58.9	-81.3	176.5	162.4	168.9	-6.1	114.7
86	C	28.7	Very low	30.2	Very low	108 Å²	108	133.8 Å²	133.8	73%	0.73	73%	0.732	S	S	*	*			trans	60.8	101.6	136.5	-49.3	0	0	0	0	121.7
87	C	30.9	Very low	30.1	Very low	127 Å²	127	135.6 Å²	135.6	86%	0.858	73%	0.731	S	S	*	*			trans	83.2	111.5	130	-58.2	0	0	0	0	121.7
88	D	29.2	Very low	29.9	Very low	153 Å²	153	131.1 Å²	131.1	82%	0.818	73%	0.728	S	S	*	*			trans	-54.1	172.6	141	-71.6	-68.1	0	0	0	113.5
89	P	37.3	Very low	29.8	Very low	91 Å²	91	128.3 Å²	128.3	59%	0.591	73%	0.726	S	S	*	*			cis	-129.9	-152.6	-22.6	23	2.8	0	0	0	111
90	F	30.1	Very low	29.9	Very low	121 Å²	121	131.6 Å²	131.6	53%	0.531	73%	0.725	S	S	.	*			trans	74.6	109.7	166.9	-72.8	-126.2	0	0	0	118.8	I70 N71	I70-F90 HydrophobicContact CB-CD1 3.57Å; I70-F90 HydrophobicContact CB-CE1 3.65Å; I70-F90 HydrophobicContact CB-CG 4.15Å; I70-F90 HydrophobicContact CB-CZ 4.31Å; I70-F90 HydrophobicContact CD1-CB 4.34Å; I70-F90 HydrophobicContact CD1-CD1 3.83Å; I70-F90 HydrophobicContact CD1-CG 4.41Å; I70-F90 HydrophobicContact CG1-CD1 4.25Å; I70-F90 HydrophobicContact CG2-CB 3.89Å; I70-F90 HydrophobicContact CG2-CD1 3.2Å; I70-F90 HydrophobicContact CG2-CD2 3.6Å; I70-F90 HydrophobicContact CG2-CE1 3.46Å; I70-F90 VanDerWaalsContact CG2-CE1 3.46Å; I70-F90 HydrophobicContact CG2-CE2 3.85Å; I70-F90 HydrophobicContact CG2-CG 3.26Å; I70-F90 HydrophobicContact CG2-CZ 3.78Å; N71-F90 VanDerWaalsContact O-CE2 3.22Å; N71-F90 WeakPolarHBondContact O-CE2 3.27Å; N71-F90 WeakPolarHBondContact O-CZ 3.44Å
91	S	32.6	Very low	30.2	Very low	111 Å²	111	128.5 Å²	128.5	78%	0.776	73%	0.728	S	S	*	*				172.5	146.4	122.5	40.6	0	0	0	0	113.5
92	D	27.3	Very low	30.5	Very low	92 Å²	92	128.6 Å²	128.6	49%	0.492	72%	0.722	S	S	.	*			trans	-107.3	176.3	177.1	-79	-99.8	0	0	0	112	P69 I70	P69-D92 HydrophobicContact CG-CB 4.01Å; P69-D92 VanDerWaalsContact CG-CG 3.47Å; P69-D92 WeakPolarHBondContact CG-OD2 3.04Å; I70-D92 WeakPolarHBondContact CG1-OD2 3.45Å
93	N	29.3	Very low	30.8	Very low	130 Å²	130	127.8 Å²	127.8	70%	0.695	71%	0.711	S	S	*	*			trans	84.2	95.8	165.8	-57.4	-55	0	0	0	119.6
94	L	27.2	Very low	31.1	Very low	150 Å²	150	128.5 Å²	128.5	79%	0.785	70%	0.701	S	S	*	*				60.9	82	110.2	-153.9	81.3	0	0	0	119.7
95	S	29.9	Very low	31.6	Very low	112 Å²	112	127.9 Å²	127.9	78%	0.783	70%	0.695	S	S	*	*			trans	-140.9	95	146.4	61.9	0	0	0	0	109.4
96	Y	26.9	Very low	31.5	Very low	196 Å²	196	123 Å²	123	77%	0.769	68%	0.682	S	S	*	*				61.1	126.1	96.1	-100	-100.7	0	0	0	116
97	M	28.1	Very low	31.5	Very low	152 Å²	152	120.5 Å²	120.5	75%	0.749	66%	0.661	S	S	*	*			trans	76.9	97.2	160.6	-47.6	-124.2	74.3	0	0	119.1
98	T	27.3	Very low	31.3	Very low	119 Å²	119	118.8 Å²	118.8	73%	0.73	64%	0.639	S	S	*	*				36.8	129	126	49.5	0	0	0	0	120.6
99	S	29	Very low	31.2	Very low	101 Å²	101	113.2 Å²	113.2	71%	0.706	61%	0.609	S	S	*	*			cis	-166.6	140.5	10.3	-85.4	0	0	0	0	115.9
100	R	31.8	Very low	30.6	Very low	193 Å²	193	110.8 Å²	110.8	73%	0.728	59%	0.591	S	S	*	*			trans	47.4	130	149.7	-62.5	-179.5	168.9	-175.2	-6.6	121.1	L602	R100-L602 PolarHBondContact NH1-O 2.72Å
101	G	36	Very low	30.7	Very low	76 Å²	76	106.4 Å²	106.4	78%	0.784	57%	0.573	S	S	*	*			cis	171.5	-169.5	0.8	0	0	0	0	0	111.6
102	I	36.8	Very low	30.8	Very low	119 Å²	119	107.1 Å²	107.1	61%	0.61	56%	0.563	S	S	*	*			cis	160.4	158.5	-19.1	-163.5	175.3	0	0	0	109.6	M611	I102-M611 HydrophobicContact CB-CE 4.27Å; I102-M611 HydrophobicContact CD1-CE 4.1Å; I102-M611 HydrophobicContact CG1-CE 3.86Å; I102-M611 HydrophobicContact CG2-CE 3.75Å; I102-M611 HydrophobicContact CG2-CG 4.09Å; I102-M611 HydrophobicContact CG2-SD 3.97Å; I102-M611 VanDerWaalsContact O-CG 3.23Å; I102-M611 WeakPolarHBondContact O-CG 2.96Å
103	N	34.4	Very low	31.3	Very low	87 Å²	87	107.4 Å²	107.4	47%	0.465	57%	0.569	S	S	.	*			cis	-166.6	-175.5	-30.8	-85.5	20.3	0	0	0	108.5	M611	N103-M611 HydrophobicContact CB-CE 4.14Å
104	Q	38.9	Very low	31.6	Very low	131 Å²	131	104 Å²	104	61%	0.612	56%	0.556	S	S	*	*			cis	-176.8	-164.2	-13.1	-97.9	173.1	-52.9	0	0	108.3	S614	Q104-S614 VanDerWaalsContact CB-CB 3.45Å; Q104-S614 WeakPolarHBondContact O-CB 3.29Å
105	V	37.5	Very low	32	Very low	80 Å²	80	103.4 Å²	103.4	49%	0.485	55%	0.552	S	S	.	*			cis	178.8	179.5	-22	157	0	0	0	0	107.5	S617 T618	V105-S617 PolarHBondContact O-OG 2.95Å; V105-T618 HydrophobicContact CG1-CG2 3.96Å
106	H	32.8	Very low	32.3	Very low	134 Å²	134	103.1 Å²	103.1	62%	0.62	54%	0.54	S	S	*	.			cis	-146.8	-145.8	1.3	-134.1	-56.7	0	0	0	113.1	S617 T618	H106-S617 PolarHBondContact N-OG 2.79Å; H106-T618 HydrophobicContact CB-CG2 3.71Å
107	D	27.6	Very low	32.8	Very low	56 Å²	56	101.8 Å²	101.8	30%	0.299	54%	0.543	S	S	.	.			cis	-179.3	0	-0.8	-112.2	-25.1	0	0	0	112.5	S621	D107-S621 WeakPolarHBondContact CB-OG 3.42Å; D107-S621 VanDerWaalsContact OD2-CB 3.28Å; D107-S621 WeakPolarHBondContact OD2-CB 3.37Å
108	K	27.6	Very low	33.2	Very low	91 Å²	91	99.7 Å²	99.7	40%	0.396	54%	0.535	S	S	.	.				0	-147	0	-85.1	-139.5	170.1	49.2	0	116.9	P625	K108-P625 WeakPolarHBondContact CB-O 3.24Å; K108-P625 HydrophobicContact CD-CB 3.9Å
109	N	26.2	Very low	33.5	Very low	35 Å²	35	100.2 Å²	100.2	19%	0.187	53%	0.533	C	S	.	.			trans	-129.2	-152.1	-153.2	59.2	-97.2	0	0	0	120.8	P575 H577 P625 T626 T627 S628	N109-P575 WeakPolarHBondContact ND2-CG 3.3Å; N109-H577 PolarHBondContact ND2-CD2 3.42Å; N109-H577 VanDerWaalsContact ND2-CD2 3.3Å; N109-H577 PolarHBondContact ND2-NE2 3.25Å; N109-P625 CarbonylContact C-O 3.19Å; N109-P625 WeakPolarHBondContact CA-O 3.49Å; N109-P625 PolarHBondContact N-O 2.75Å; N109-P625 PolarHBondContact ND2-O 3.05Å; N109-P625 PolarHBondContact OD1-O 3.48Å; N109-T626 CarbonylContact O-C 3.5Å; N109-T626 WeakPolarHBondContact O-CA 3.46Å; N109-T627 CarbonylContact O-C 3.6Å; N109-T627 WeakPolarHBondContact O-CA 3.33Å; N109-T627 PolarHBondContact O-N 3.49Å; N109-S628 PolarHBondContact O-N 2.99Å
110	I	25.4	Very low	34	Very low	40 Å²	40	103.5 Å²	103.5	21%	0.205	54%	0.543	C	S	.	.			trans	-143.8	-145.9	-177.4	-14	168.6	0	0	0	122	N574 T626 S628	I110-N574 WeakPolarHBondContact CA-OD1 3.33Å; I110-N574 WeakPolarHBondContact CB-OD1 3.07Å; I110-N574 VanDerWaalsContact CG1-OD1 3.24Å; I110-N574 WeakPolarHBondContact CG1-OD1 3.48Å; I110-N574 PolarHBondContact N-OD1 2.72Å; I110-T626 WeakPolarHBondContact O-CB 3.18Å; I110-T626 WeakPolarHBondContact O-CG2 3.22Å; I110-S628 VanDerWaalsContact CD1-OG 3.28Å; I110-S628 WeakPolarHBondContact CD1-OG 3.34Å; I110-S628 VanDerWaalsContact CG1-OG 3.28Å; I110-S628 WeakPolarHBondContact CG1-OG 3.32Å
111	D	31.3	Very low	34.2	Very low	29 Å²	29	98.9 Å²	98.9	16%	0.155	53%	0.533	C	S	.	.			trans	-113.2	-121.9	-145	-104	-41.9	0	0	0	123.7	R579 K684	D111-R579 IonicContact OD1-CZ 3.67Å; D111-R579 IonicContact OD1-NE 2.75Å; D111-R579 IonicContact OD1-NH2 2.69Å; D111-R579 PolarHBondContact OD1-NH2 3.27Å; D111-R579 IonicContact OD2-NH2 3.95Å; D111-R579 PolarHBondContact OD2-NH2 3.3Å; D111-K684 IonicContact OD2-NZ 3.15Å; D111-K684 PolarHBondContact OD2-NZ 2.77Å
112	F	36.1	Very low	34.3	Very low	127 Å²	127	101 Å²	101	56%	0.557	53%	0.531	S	S	*	.			trans	-146.8	0	-149.7	-85.2	-105.6	0	0	0	121.5	V576 H577	F112-V576 HydrophobicContact CD1-CG1 3.6Å; F112-V576 HydrophobicContact CD2-CG1 3.89Å; F112-V576 HydrophobicContact CE1-CG1 3.36Å; F112-V576 HydrophobicContact CE2-CG1 3.67Å; F112-V576 HydrophobicContact CG-CG1 3.86Å; F112-V576 HydrophobicContact CZ-CG1 3.4Å; F112-V576 VanDerWaalsContact CZ-CG1 3.4Å; F112-H577 WeakPolarHBondContact CE2-O 3.46Å; F112-H577 WeakPolarHBondContact CZ-O 3.43Å
113	P	37.5	Very low	34.4	Very low	98 Å²	98	102.3 Å²	102.3	64%	0.636	54%	0.539	S	S	*	.				0	179.7	0	44.4	-26.2	0	0	0	122.7	S189	P113-S189 PolarHBondContact O-OG 3.28Å
114	S	35	Very low	34.6	Very low	59 Å²	59	104.8 Å²	104.8	41%	0.413	56%	0.557	S	S	.	*			trans	-169.7	-151.3	-175.9	66.5	0	0	0	0	121.5	S189 P190 T191	S114-S189 WeakPolarHBondContact CB-OG 3.45Å; S114-P190 WeakPolarHBondContact CB-O 3.33Å; S114-P190 PolarHBondContact OG-O 2.84Å; S114-T191 WeakPolarHBondContact OG-CG2 3.42Å
115	I	37.1	Very low	34.6	Very low	137 Å²	137	101.9 Å²	101.9	70%	0.703	56%	0.561	S	S	*	*			trans	-164.6	161.7	178.3	-160.5	162.3	0	0	0	117.4	T191	I115-T191 VanDerWaalsContact O-CG2 3.28Å; I115-T191 WeakPolarHBondContact O-CG2 3.25Å; I115-T191 PolarHBondContact O-OG1 3.49Å; I115-T191 VanDerWaalsContact O-OG1 3.08Å
116	I	35	Very low	34.5	Very low	105 Å²	105	106.6 Å²	106.6	54%	0.538	58%	0.584	S	S	.	*			trans	-104.1	-170.9	-166.4	-8.4	174.1	0	0	0	117.1	T191	I116-T191 WeakPolarHBondContact CA-OG1 3.47Å; I116-T191 HydrophobicContact CG1-CG2 4.17Å; I116-T191 VanDerWaalsContact CG2-OG1 3.29Å; I116-T191 WeakPolarHBondContact CG2-OG1 3.46Å
117	M	38	Very low	34.8	Very low	168 Å²	168	103.6 Å²	103.6	83%	0.828	59%	0.59	S	S	*	*			cis	-172.2	-172.1	16	43.8	178.4	-175.6	0	0	111.4
118	N	35.2	Very low	35.2	Very low	108 Å²	108	108.2 Å²	108.2	58%	0.578	61%	0.614	S	S	*	*			cis	179.7	173.8	-37.9	-83.7	69.1	0	0	0	107.1
119	D	35.2	Very low	35.7	Very low	130 Å²	130	111.2 Å²	111.2	70%	0.695	64%	0.635	S	S	*	*			cis	-169.5	157.1	-29.7	-78.3	-10.6	0	0	0	111.8
120	N	38.2	Very low	36.3	Very low	170 Å²	170	116.9 Å²	116.9	91%	0.909	66%	0.66	S	S	*	*			trans	-172.4	174.1	167.2	-121.2	-99.8	0	0	0	118.8
121	D	35.8	Very low	36.9	Very low	97 Å²	97	122.5 Å²	122.5	52%	0.519	69%	0.685	S	S	.	*			trans	-167.7	-179.9	-177.9	-143.7	-39.5	0	0	0	116.8	R533	D121-R533 IonicContact OD1-NH1 3.45Å; D121-R533 IonicContact OD2-CZ 2.67Å; D121-R533 IonicContact OD2-NH1 3.8Å; D121-R533 PolarHBondContact OD2-NH1 2.94Å; D121-R533 IonicContact OD2-NH2 2.72Å; D121-R533 PolarHBondContact OD2-NH2 2.75Å
122	V	39	Very low	37.6	Very low	121 Å²	121	126 Å²	126	73%	0.733	71%	0.71	S	S	*	*			trans	134.7	125.8	153	171.8	0	0	0	0	121.5
123	D	38.8	Very low	37.6	Very low	146 Å²	146	129.4 Å²	129.4	78%	0.781	72%	0.724	S	S	*	*			trans	53.7	160.7	153.9	-74	2.6	0	0	0	126.1
124	V	39.3	Very low	37.5	Very low	139 Å²	139	131.1 Å²	131.1	84%	0.842	73%	0.728	S	S	*	*			cis	-174.2	148.2	-38.2	133.9	0	0	0	0	110.5
125	G	39.2	Very low	37.4	Very low	69 Å²	69	134.9 Å²	134.9	71%	0.711	74%	0.743	S	S	*	*			trans	160	152.7	164.9	0	0	0	0	0	118.8
126	N	34.6	Very low	37.4	Very low	179 Å²	179	135 Å²	135	96%	0.957	74%	0.744	S	S	*	*			trans	-126	163.8	-176.1	-61.4	-27.5	0	0	0	113.9
127	G	38.2	Very low	37.5	Very low	72 Å²	72	135.6 Å²	135.6	74%	0.742	75%	0.753	S	S	*	*			trans	163.9	143.5	162.2	0	0	0	0	0	114.9
128	D	35.9	Very low	37.4	Very low	152 Å²	152	134.8 Å²	134.8	81%	0.813	75%	0.752	S	S	*	*			trans	-121.2	179.7	-165.4	-60.5	-81.7	0	0	0	115.6
129	D	39.3	Very low	38	Very low	155 Å²	155	134.9 Å²	134.9	83%	0.829	76%	0.759	S	S	*	*			trans	102.9	119.5	149.9	-66.6	-33.9	0	0	0	125.1
130	E	39	Very low	37.9	Very low	153 Å²	153	135.9 Å²	135.9	72%	0.715	76%	0.763	S	S	*	*			trans	68.2	108.4	135.2	-65.9	-118.6	101.8	0	0	126.9
131	Q	37.2	Very low	37.8	Very low	158 Å²	158	134.7 Å²	134.7	74%	0.738	75%	0.754	S	S	*	*				89.2	146.3	121.6	-65	-74.4	-19.1	0	0	124.3
132	P	45.4	Very low	37.9	Very low	103 Å²	103	135 Å²	135	67%	0.669	76%	0.76	S	S	*	*			trans	-133.4	-177.5	-173.8	45	-27.7	0	0	0	117.2
133	K	37.4	Very low	37.8	Very low	198 Å²	198	135.6 Å²	135.6	86%	0.861	76%	0.758	S	S	*	*			trans	-179.5	163.2	163.2	-102.2	151.4	179.4	175.3	0	110.5
134	L	34	Very low	37.7	Very low	135 Å²	135	135.5 Å²	135.5	71%	0.707	76%	0.757	S	S	*	*			cis	-172.2	134.4	-44.7	-115.7	175.1	0	0	0	110.1
135	N	32.9	Very low	37.7	Very low	137 Å²	137	133.5 Å²	133.5	73%	0.733	75%	0.754	S	S	*	*			trans	64.2	172.3	161.4	-63.9	-8.7	0	0	0	118.8
136	L	37.2	Very low	37.6	Very low	140 Å²	140	134.7 Å²	134.7	73%	0.733	76%	0.757	S	S	*	*			cis	-159.1	150.3	15.1	-161.8	73.6	0	0	0	114.7
137	T	37.2	Very low	37.8	Very low	118 Å²	118	128.9 Å²	128.9	72%	0.724	74%	0.74	S	S	*	*			trans	68.5	135.5	149.8	34	0	0	0	0	126.3
138	D	37.1	Very low	37.7	Very low	150 Å²	150	133.7 Å²	133.7	80%	0.802	74%	0.743	S	S	*	*			trans	-88.3	-154.6	159.7	-45.2	-87.1	0	0	0	111.7
139	P	46.3	Very low	38	Very low	111 Å²	111	133.8 Å²	133.8	72%	0.721	74%	0.743	S	S	*	*			cis	-145.4	-167.2	-4.8	35.6	-10.1	0	0	0	118.1
140	L	34.3	Very low	37.9	Very low	151 Å²	151	133.4 Å²	133.4	79%	0.791	74%	0.741	S	S	*	*			trans	107	143	143.4	-77.6	165.2	0	0	0	124.4
141	M	36.3	Very low	37.8	Very low	145 Å²	145	133.3 Å²	133.3	71%	0.714	75%	0.745	S	S	*	*			trans	91.6	108.2	141.7	-115.4	44.7	-170.4	0	0	123.9
142	T	37.6	Very low	37.6	Very low	104 Å²	104	130.5 Å²	130.5	64%	0.638	74%	0.743	S	S	*	*			trans	55.6	157.2	131.2	55	0	0	0	0	121.6
143	D	35.9	Very low	37.5	Very low	132 Å²	132	130.1 Å²	130.1	71%	0.706	74%	0.741	S	S	*	*			cis	-167.7	178.4	11.4	-132.7	-34.7	0	0	0	115.1
144	I	37.9	Very low	37.4	Very low	145 Å²	145	126.3 Å²	126.3	74%	0.744	73%	0.73	S	S	*	*			trans	80.3	117.9	143.3	-75.7	162.3	0	0	0	124.2
145	A	39.3	Very low	37.4	Very low	96 Å²	96	123.6 Å²	123.6	79%	0.793	72%	0.722	S	S	*	*			trans	61.7	155.6	138.6	0	0	0	0	0	124.4
146	A	37.7	Very low	37.3	Very low	94 Å²	94	122 Å²	122	78%	0.777	72%	0.72	S	S	*	*			cis	-171.7	159.5	-25.2	0	0	0	0	0	112.1
147	G	37.6	Very low	37.2	Very low	58 Å²	58	123 Å²	123	60%	0.598	72%	0.721	S	S	*	*			trans	73.9	165.4	163.5	0	0	0	0	0	118.9
148	E	36.6	Very low	37	Very low	172 Å²	172	123.1 Å²	123.1	80%	0.804	71%	0.713	S	S	*	*			cis	176.7	159.9	-15	-99.8	131.2	54.9	0	0	106.6
149	L	41.5	Very low	36.8	Very low	154 Å²	154	124.5 Å²	124.5	81%	0.806	71%	0.708	S	S	*	*			cis	-169.7	171.6	-26.4	-87.1	174.7	0	0	0	106
150	D	37.5	Very low	36.1	Very low	148 Å²	148	125 Å²	125	79%	0.791	71%	0.705	S	S	*	*			cis	-167.1	-149.4	-48.8	-150.8	89.3	0	0	0	109.3
151	D	37.5	Very low	36.1	Very low	150 Å²	150	122.7 Å²	122.7	80%	0.802	70%	0.698	S	S	*	*			trans	91.3	158.7	158.8	-105.7	-38	0	0	0	123.2
152	S	31.6	Very low	36	Very low	100 Å²	100	122.5 Å²	122.5	70%	0.699	70%	0.699	S	S	*	*			trans	-150.5	-140.6	-147	59.3	0	0	0	0	117.6
153	P	44.9	Very low	35.8	Very low	94 Å²	94	124.5 Å²	124.5	61%	0.61	71%	0.705	S	S	*	*				-127.5	-163.3	-85.1	35.1	-14.8	0	0	0	117.1
154	N	34.8	Very low	35.6	Very low	119 Å²	119	125.2 Å²	125.2	64%	0.636	71%	0.705	S	S	*	*			trans	79.7	155.3	156	-66.8	-18.6	0	0	0	120.4
155	S	33.7	Very low	35.4	Very low	77 Å²	77	125.2 Å²	125.2	54%	0.538	71%	0.706	S	S	.	*			cis	-168.3	140.7	-17.1	51.1	0	0	0	0	114.5
156	C	31	Very low	35.2	Very low	103 Å²	103	124.7 Å²	124.7	70%	0.696	70%	0.695	S	S	*	*			trans	48.8	155.7	137	-49.7	0	0	0	0	126.7
157	H	34.4	Very low	34.9	Very low	162 Å²	162	124.5 Å²	124.5	75%	0.75	69%	0.688	S	S	*	*			trans	71.7	147.3	160.2	-66.4	-74.8	0	0	0	120.2
158	E	33.6	Very low	34.5	Very low	120 Å²	120	124.7 Å²	124.7	56%	0.561	68%	0.68	S	S	*	*			cis	-169.4	173.3	-27.3	-151	170.7	177.3	0	0	110.4
159	Y	32.9	Very low	34.2	Very low	179 Å²	179	119.6 Å²	119.6	70%	0.702	66%	0.664	S	S	*	*			trans	54	137.2	165.5	-61.7	-67.6	0	0	0	121
160	D	32.2	Very low	33.6	Very low	121 Å²	121	117.3 Å²	117.3	65%	0.647	66%	0.66	S	S	*	*			cis	176.8	164.9	-13	-152.2	-45.9	0	0	0	108.6
161	T	34.3	Very low	33.2	Very low	104 Å²	104	115.1 Å²	115.1	64%	0.638	66%	0.657	S	S	*	*			trans	66.7	142.5	145.9	-1.5	0	0	0	0	125.2
162	L	32.8	Very low	32.9	Very low	140 Å²	140	112.7 Å²	112.7	73%	0.733	65%	0.651	S	S	*	*			trans	72.4	102.3	161.9	-52.7	-179.5	0	0	0	116.7
163	L	34.2	Very low	33	Very low	147 Å²	147	113.4 Å²	113.4	77%	0.77	65%	0.651	S	S	*	*				69.7	128.1	74.1	-71.5	-174.9	0	0	0	112.4
164	M	32	Very low	32.3	Very low	146 Å²	146	114 Å²	114	72%	0.719	66%	0.658	S	S	*	*			cis	-153	142.4	25.7	-63.4	-174.7	90.2	0	0	114.6
165	L	34.2	Very low	32.2	Very low	145 Å²	145	113 Å²	113	76%	0.759	66%	0.661	S	S	*	*			trans	58	176.5	135.9	-65.8	-177.4	0	0	0	120.6
166	P	34.4	Very low	32.1	Very low	86 Å²	86	117.6 Å²	117.6	56%	0.558	68%	0.677	S	S	*	*			cis	-128.2	-178.6	-17.8	17.5	7.1	0	0	0	115.2
167	S	31.6	Very low	31.9	Very low	90 Å²	90	115.4 Å²	115.4	63%	0.629	67%	0.672	S	S	*	*			trans	79.2	150.6	146.9	72.5	0	0	0	0	120.6	R31	R31-S167 VanDerWaalsContact NH1-CB 3.29Å
168	S	30.1	Very low	31.5	Very low	61 Å²	61	115.6 Å²	115.6	43%	0.427	67%	0.667	S	S	.	*			cis	-169.8	166.5	-27.8	52.3	0	0	0	0	110.8
169	S	29.3	Very low	31.2	Very low	66 Å²	66	116.5 Å²	116.5	46%	0.462	67%	0.674	S	S	.	*			trans	43.1	136.5	146.1	59.7	0	0	0	0	121.7	G30	G30-S169 PolarHBondContact O-N 3.44Å
170	S	29.1	Very low	31.1	Very low	105 Å²	105	111 Å²	111	73%	0.734	66%	0.657	S	S	*	*			cis	-173.4	162	-2.4	48.9	0	0	0	0	112.5
171	S	28.2	Very low	31	Very low	103 Å²	103	108.3 Å²	108.3	72%	0.72	64%	0.643	S	S	*	*			trans	-36.2	159.8	152.3	46.6	0	0	0	0	116.5
172	S	31.1	Very low	30.8	Very low	98 Å²	98	109.4 Å²	109.4	69%	0.685	64%	0.64	S	S	*	*			cis	-176.1	163	-7.6	49.6	0	0	0	0	112.9
173	T	34	Very low	30.6	Very low	115 Å²	115	106.4 Å²	106.4	71%	0.706	63%	0.63	S	S	*	*			trans	6.5	151.9	145.3	66	0	0	0	0	120.7
174	S	31.3	Very low	30.3	Very low	107 Å²	107	105.9 Å²	105.9	75%	0.748	63%	0.628	S	S	*	*				164.6	174.1	75	43.8	0	0	0	0	110.8
175	S	32.7	Very low	30.1	Very low	99 Å²	99	102.5 Å²	102.5	69%	0.692	62%	0.619	S	S	*	*			cis	-173.6	136.2	-33.8	-80	0	0	0	0	109.3
176	I	31.1	Very low	29.7	Very low	173 Å²	173	103 Å²	103	89%	0.887	62%	0.619	S	S	*	*			trans	-154.3	143.8	174.8	-79.9	109.4	0	0	0	108.3
177	G	27.1	Very low	29.3	Very low	56 Å²	56	104.1 Å²	104.1	58%	0.577	63%	0.628	S	S	*	*			cis	166.9	163.2	-8.2	0	0	0	0	0	112.8
178	Y	26.1	Very low	29.2	Very low	167 Å²	167	105.4 Å²	105.4	66%	0.655	64%	0.637	S	S	*	*			trans	67.3	162.6	173.8	-61.1	-92.9	0	0	0	115.9	N513	Y178-N513 WeakPolarHBondContact CE1-O 3.19Å; Y178-N513 PolarHBondContact OH-O 3.38Å
179	I	27.5	Very low	29.1	Very low	139 Å²	139	105.6 Å²	105.6	71%	0.713	64%	0.638	S	S	*	*			cis	-146.1	134.5	34.2	-74.2	175.8	0	0	0	114.6
180	N	29.5	Very low	29.2	Very low	64 Å²	64	107.4 Å²	107.4	34%	0.342	65%	0.648	S	S	.	*			trans	31.2	135.3	137.8	-61	-0.1	0	0	0	125.9	L515 Y517	N180-L515 VanDerWaalsContact CA-CB 3.48Å; N180-L515 HydrophobicContact CB-CD1 4.49Å; N180-Y517 WeakPolarHBondContact O-CD2 3.36Å; N180-Y517 WeakPolarHBondContact O-CE2 3.41Å
181	N	30.7	Very low	29.3	Very low	64 Å²	64	104.4 Å²	104.4	34%	0.342	63%	0.626	S	S	.	*			trans	92.7	118.3	137.9	-70.5	-9	0	0	0	121.8	M516 Y517	N181-M516 CarbonylContact C-O 3.58Å; N181-Y517 HydrophobicContact CB-CE2 3.84Å; N181-Y517 WeakPolarHBondContact O-CD1 3.42Å; N181-Y517 WeakPolarHBondContact O-CD2 3.27Å; N181-Y517 WeakPolarHBondContact O-CE1 3.13Å; N181-Y517 WeakPolarHBondContact O-CE2 3.2Å; N181-Y517 VanDerWaalsContact O-CZ 3.23Å
182	H	28.7	Very low	29.4	Very low	126 Å²	126	107.5 Å²	107.5	58%	0.583	63%	0.629	S	S	*	*				84.8	146.7	66.5	-122	-91.7	0	0	0	114.2
183	C	28.9	Very low	29.5	Very low	78 Å²	78	108.4 Å²	108.4	53%	0.527	63%	0.625	S	S	.	*			trans	75.1	143.4	164.2	-60.3	0	0	0	0	117
184	N	28	Very low	29.3	Very low	136 Å²	136	110.7 Å²	110.7	73%	0.727	63%	0.632	S	S	*	*			cis	-155.5	173	-11.3	-119.7	-9	0	0	0	113.8
185	S	27.4	Very low	29.2	Very low	75 Å²	75	113.2 Å²	113.2	52%	0.524	63%	0.63	S	S	.	*			trans	-23.5	152.4	151.7	59.9	0	0	0	0	116.4
186	M	26.5	Very low	29.2	Very low	156 Å²	156	115.7 Å²	115.7	77%	0.768	63%	0.629	S	S	*	*			cis	-145.8	151.8	44.5	-73.2	-73.5	176.5	0	0	111
187	C	26.5	Very low	29.2	Very low	109 Å²	109	113.7 Å²	113.7	74%	0.736	62%	0.62	S	S	*	*				54.7	143.4	100.2	-44.7	0	0	0	0	115.6
188	S	29.8	Very low	29.3	Very low	116 Å²	116	115.2 Å²	115.2	81%	0.811	62%	0.622	S	S	*	*			cis	-138.3	171.5	22.3	-64.9	0	0	0	0	114.5
189	S	27.4	Very low	29.5	Very low	66 Å²	66	113 Å²	113	46%	0.462	63%	0.631	S	S	.	*			trans	-81.4	162.2	175	42.5	0	0	0	0	113.4	P113 S114	P113-S189 PolarHBondContact O-OG 3.28Å; S114-S189 WeakPolarHBondContact CB-OG 3.45Å
190	P	31.2	Very low	29.8	Very low	103 Å²	103	111.3 Å²	111.3	67%	0.669	64%	0.638	S	S	*	*			trans	-97.6	165.5	-177.2	38.9	-36.4	0	0	0	114.1	S114	S114-P190 WeakPolarHBondContact CB-O 3.33Å; S114-P190 PolarHBondContact OG-O 2.84Å
191	T	31.5	Very low	29.9	Very low	43 Å²	43	113.5 Å²	113.5	26%	0.264	66%	0.658	S	S	.	*			trans	-111.6	130.2	151.5	48.7	0	0	0	0	108	S114 I115 I116	S114-T191 WeakPolarHBondContact OG-CG2 3.42Å; I115-T191 VanDerWaalsContact O-CG2 3.28Å; I115-T191 WeakPolarHBondContact O-CG2 3.25Å; I115-T191 PolarHBondContact O-OG1 3.49Å; I115-T191 VanDerWaalsContact O-OG1 3.08Å; I116-T191 WeakPolarHBondContact CA-OG1 3.47Å; I116-T191 HydrophobicContact CG1-CG2 4.17Å; I116-T191 VanDerWaalsContact CG2-OG1 3.29Å; I116-T191 WeakPolarHBondContact CG2-OG1 3.46Å
192	E	30.7	Very low	29.8	Very low	167 Å²	167	114.7 Å²	114.7	78%	0.78	67%	0.671	S	S	*	*				61	118.9	71.7	-69.6	-168.3	168.1	0	0	113.4
193	I	32.5	Very low	29.9	Very low	118 Å²	118	116.6 Å²	116.6	61%	0.605	68%	0.675	S	S	*	*				-166.7	120.2	125.8	-93.1	150.6	0	0	0	106.8	F195	I193-F195 HydrophobicContact CG2-CD2 3.7Å; I193-F195 HydrophobicContact CG2-CE2 4.14Å
194	D	29.9	Very low	30.2	Very low	162 Å²	162	116.3 Å²	116.3	87%	0.866	68%	0.678	S	S	*	*			trans	-84.3	141.6	168.6	-84.8	-51.4	0	0	0	110.1
195	F	30.1	Very low	30.5	Very low	161 Å²	161	117.4 Å²	117.4	71%	0.706	68%	0.684	S	S	*	*			trans	-138	102.7	163.9	-105.5	-90.1	0	0	0	114.4	I193	I193-F195 HydrophobicContact CG2-CD2 3.7Å; I193-F195 HydrophobicContact CG2-CE2 4.14Å
196	F	31.5	Very low	30.8	Very low	150 Å²	150	120.4 Å²	120.4	66%	0.658	69%	0.694	S	S	*	*				73.2	124.9	128.8	-83.7	-136.7	0	0	0	121.8
197	N	30.6	Very low	31	Very low	131 Å²	131	117.3 Å²	117.3	70%	0.701	69%	0.687	S	S	*	*				71.3	155	127.5	-67.3	8.4	0	0	0	120.5
198	S	30.2	Very low	31.3	Very low	88 Å²	88	116.3 Å²	116.3	62%	0.615	68%	0.681	S	S	*	*			cis	-166.6	167.3	-18.1	-102.3	0	0	0	0	112.4
199	S	29.7	Very low	31.5	Very low	121 Å²	121	117 Å²	117	85%	0.846	68%	0.675	S	S	*	*			trans	63.6	112	145.4	58.8	0	0	0	0	121.2
200	A	33.8	Very low	31.8	Very low	104 Å²	104	118.5 Å²	118.5	86%	0.86	68%	0.678	S	S	*	*			trans	-142.9	148.6	148.4	0	0	0	0	0	108.6
201	S	31.3	Very low	32	Very low	110 Å²	110	119.3 Å²	119.3	77%	0.769	68%	0.677	S	S	*	*			trans	-167.1	176	-176.6	69	0	0	0	0	114
202	S	30.1	Very low	32.1	Very low	89 Å²	89	121 Å²	121	62%	0.622	69%	0.691	S	S	*	*			trans	71.6	148.7	169.2	70.4	0	0	0	0	116.8
203	Y	30.9	Very low	32.3	Very low	165 Å²	165	119.7 Å²	119.7	65%	0.647	69%	0.689	S	S	*	*			cis	-127.9	150.5	12.1	-77.3	-108.4	0	0	0	110.6	T543	Y203-T543 HydrophobicContact CE1-CG2 4.32Å; Y203-T543 PolarHBondContact OH-OG1 3.46Å
204	A	33.9	Very low	32.3	Very low	73 Å²	73	120.1 Å²	120.1	60%	0.603	69%	0.693	S	S	*	*			cis	84.6	135.8	28.1	0	0	0	0	0	114.9
205	N	34.1	Very low	32.3	Very low	158 Å²	158	118.6 Å²	118.6	85%	0.845	68%	0.684	S	S	*	*			cis	-112.1	-111	6.7	-69	-70.4	0	0	0	114.7
206	N	34.4	Very low	32.5	Very low	139 Å²	139	116 Å²	116	74%	0.743	68%	0.682	S	S	*	*			cis	-155.9	-175.8	10.5	-161.7	5.2	0	0	0	112.4
207	C	30.2	Very low	32.5	Very low	90 Å²	90	115.9 Å²	115.9	61%	0.608	69%	0.688	S	S	*	*			trans	-104.6	174.9	-161.6	-60.5	0	0	0	0	115.6	F243	C207-F243 VanDerWaalsContact CA-CZ 3.47Å; C207-F243 HydrophobicContact CB-CE1 4.16Å; C207-F243 HydrophobicContact CB-CE2 4.34Å; C207-F243 HydrophobicContact CB-CZ 3.62Å
208	S	34.1	Very low	32.6	Very low	88 Å²	88	112.6 Å²	112.6	62%	0.615	68%	0.676	S	S	*	*			cis	-151.4	176.3	26.6	-157.3	0	0	0	0	117.2	F243	S208-F243 VanDerWaalsContact CA-CE1 3.44Å
209	N	32.8	Very low	32.6	Very low	130 Å²	130	113.1 Å²	113.1	70%	0.695	67%	0.67	S	S	*	*			trans	-56.7	166.8	-170.2	-79.3	-30.3	0	0	0	118.9
210	N	34.3	Very low	32.7	Very low	99 Å²	99	113.1 Å²	113.1	53%	0.529	66%	0.661	S	S	.	*			cis	-168.1	-99.4	-24.2	177.1	16.9	0	0	0	112.8	K244	N210-K244 VanDerWaalsContact C-NZ 3.33Å; N210-K244 PolarHBondContact O-NZ 3.28Å; N210-K244 PolarHBondContact OD1-NZ 3.26Å
211	N	34.8	Very low	32.5	Very low	120 Å²	120	113.2 Å²	113.2	64%	0.642	65%	0.647	S	S	*	*			trans	26.7	-173.6	-178.7	-73.8	73.1	0	0	0	122.5	K244	N211-K244 PolarHBondContact O-NZ 3.38Å
212	S	34.1	Very low	32.4	Very low	78 Å²	78	112.1 Å²	112.1	55%	0.545	64%	0.638	S	S	.	*				-161.3	144.8	-87.5	55.4	0	0	0	0	112.6
213	N	34.1	Very low	32.5	Very low	139 Å²	139	117.5 Å²	117.5	74%	0.743	65%	0.646	S	S	*	*			trans	70	148.9	166.3	-54.9	-8	0	0	0	117
214	N	32.6	Very low	32.5	Very low	128 Å²	128	114 Å²	114	68%	0.684	65%	0.646	S	S	*	*			cis	-163.2	162.6	-23.6	-108.2	-10.9	0	0	0	111.8
215	N	31.4	Very low	32.3	Very low	130 Å²	130	116.5 Å²	116.5	70%	0.695	65%	0.654	S	S	*	*			trans	76.6	117.2	147.8	-71.4	5.2	0	0	0	123.7
216	T	32.9	Very low	32.1	Very low	107 Å²	107	116.2 Å²	116.2	66%	0.656	65%	0.651	S	S	*	*				82.8	115.8	125.3	57.5	0	0	0	0	123.5
217	N	31.6	Very low	31.9	Very low	146 Å²	146	114.3 Å²	114.3	78%	0.781	65%	0.648	S	S	*	*				71.7	146	123.3	-61.4	4.5	0	0	0	119.9
218	S	32.8	Very low	31.9	Very low	63 Å²	63	115.3 Å²	115.3	44%	0.441	65%	0.653	S	S	.	*			cis	-175.7	-172.2	-8.1	48.5	0	0	0	0	109	V257	S218-V257 WeakPolarHBondContact OG-CG2 3.3Å
219	I	30.5	Very low	31.7	Very low	99 Å²	99	118.1 Å²	118.1	51%	0.508	66%	0.66	S	S	.	*			trans	73.1	132.9	160.6	-78.8	174.4	0	0	0	113.7	Q256 V257	I219-Q256 VanDerWaalsContact CD1-O 3.24Å; I219-Q256 WeakPolarHBondContact CD1-O 3.5Å; I219-V257 HydrophobicContact CD1-CB 4.05Å; I219-V257 HydrophobicContact CD1-CG1 3.74Å; I219-V257 HydrophobicContact CD1-CG2 4.09Å
220	N	31.5	Very low	31.6	Very low	120 Å²	120	120.4 Å²	120.4	64%	0.642	67%	0.667	S	S	*	*			cis	-152.5	174.7	6.7	-96.9	-6.5	0	0	0	107.3
221	N	31.1	Very low	31.3	Very low	107 Å²	107	120.9 Å²	120.9	57%	0.572	68%	0.677	S	S	*	*			cis	-157.5	142	-13.7	-103.6	-7.7	0	0	0	106.1
222	C	28.3	Very low	30.9	Very low	87 Å²	87	120.4 Å²	120.4	59%	0.588	68%	0.683	S	S	*	*				58.2	144.8	91.9	-46	0	0	0	0	115
223	Y	31.6	Very low	30.7	Very low	202 Å²	202	121.4 Å²	121.4	79%	0.792	69%	0.69	S	S	*	*			cis	-129	137.7	15.1	-83.5	-96.3	0	0	0	110.6
224	S	30.8	Very low	30.6	Very low	90 Å²	90	120.3 Å²	120.3	63%	0.629	69%	0.693	S	S	*	*				76.8	154.8	67.3	-46.5	0	0	0	0	113.6
225	T	30.3	Very low	30.5	Very low	126 Å²	126	119.1 Å²	119.1	77%	0.773	69%	0.694	S	S	*	*			cis	-121.8	-173.1	1	59	0	0	0	0	108.9
226	I	29.9	Very low	30.6	Very low	153 Å²	153	117.3 Å²	117.3	79%	0.785	69%	0.692	S	S	*	*			cis	-154.6	169.2	3.5	-141.8	165.6	0	0	0	105.9
227	S	30.2	Very low	30.5	Very low	98 Å²	98	119.3 Å²	119.3	69%	0.685	70%	0.699	S	S	*	*			cis	-143	150.7	3.7	45.4	0	0	0	0	110
228	P	29.8	Very low	30.6	Very low	111 Å²	111	117.9 Å²	117.9	72%	0.721	70%	0.701	S	S	*	*			trans	-107.7	-167.3	-169.7	41.3	-34.7	0	0	0	115.4
229	I	30.8	Very low	30.7	Very low	148 Å²	148	120.1 Å²	120.1	76%	0.759	72%	0.716	S	S	*	*			trans	87.8	107.7	174.9	-52.7	157.4	0	0	0	112.6
230	E	29.5	Very low	30.6	Very low	177 Å²	177	120.9 Å²	120.9	83%	0.827	73%	0.729	S	S	*	*			cis	93.9	163.4	33	-64.3	-156.8	124.8	0	0	115.8
231	C	28.2	Very low	30.6	Very low	110 Å²	110	120.2 Å²	120.2	74%	0.743	73%	0.732	S	S	*	*			trans	74.7	98.4	-179.2	-61.6	0	0	0	0	114.9
232	S	28.1	Very low	30.6	Very low	110 Å²	110	120.8 Å²	120.8	77%	0.769	75%	0.745	S	S	*	*				91.5	144.4	77	67.5	0	0	0	0	112.1
233	S	29.4	Very low	30.8	Very low	99 Å²	99	122.2 Å²	122.2	69%	0.692	74%	0.741	S	S	*	*			cis	-168.4	172.2	9.9	33	0	0	0	0	110.5
234	S	31	Very low	30.8	Very low	115 Å²	115	117.9 Å²	117.9	80%	0.804	73%	0.727	S	S	*	*			trans	68.2	155.1	169	79	0	0	0	0	115
235	S	31.7	Very low	31	Very low	103 Å²	103	119.4 Å²	119.4	72%	0.72	74%	0.737	S	S	*	*			cis	-176.8	154.2	-12.4	39.3	0	0	0	0	106.2
236	S	33	Very low	31.1	Very low	93 Å²	93	121.2 Å²	121.2	65%	0.65	74%	0.737	S	S	*	*			cis	-174.5	166	0.1	43.9	0	0	0	0	110.6
237	N	30.8	Very low	31.3	Very low	148 Å²	148	121.1 Å²	121.1	79%	0.791	73%	0.733	S	S	*	*			trans	85.7	141.2	154.8	-58	-25	0	0	0	121.6
238	S	34.3	Very low	31.3	Very low	117 Å²	117	120.1 Å²	120.1	82%	0.818	73%	0.725	S	S	*	*			trans	66.6	139.7	169	69	0	0	0	0	119
239	S	33.5	Very low	31.3	Very low	109 Å²	109	122.4 Å²	122.4	76%	0.762	72%	0.721	S	S	*	*			cis	-164	124	-24.2	46.1	0	0	0	0	112.2
240	C	30	Very low	31.4	Very low	116 Å²	116	121.4 Å²	121.4	78%	0.784	72%	0.717	S	S	*	*			trans	19.8	143.6	142.9	-152.4	0	0	0	0	120.6
241	C	29.7	Very low	31.5	Very low	105 Å²	105	117 Å²	117	71%	0.709	70%	0.704	S	S	*	*			cis	-151.1	-161.4	19.7	-52.4	0	0	0	0	112.8
242	S	31.5	Very low	31.8	Very low	120 Å²	120	118.4 Å²	118.4	84%	0.839	70%	0.703	S	S	*	*			trans	-154.5	163.3	176.9	-57.1	0	0	0	0	112.5
243	F	32.1	Very low	32.1	Very low	116 Å²	116	119.7 Å²	119.7	51%	0.509	70%	0.702	S	S	.	*			trans	-111.9	152.2	-176.6	-118.2	-72.8	0	0	0	115.3	C207 S208	C207-F243 VanDerWaalsContact CA-CZ 3.47Å; C207-F243 HydrophobicContact CB-CE1 4.16Å; C207-F243 HydrophobicContact CB-CE2 4.34Å; C207-F243 HydrophobicContact CB-CZ 3.62Å; S208-F243 VanDerWaalsContact CA-CE1 3.44Å
244	K	33.4	Very low	32.4	Very low	112 Å²	112	119.3 Å²	119.3	49%	0.487	70%	0.699	S	S	.	*			trans	-108.7	172.1	-178.4	-85	172.1	171	171.8	0	110.6	N210 N211	N210-K244 VanDerWaalsContact C-NZ 3.33Å; N210-K244 PolarHBondContact O-NZ 3.28Å; N210-K244 PolarHBondContact OD1-NZ 3.26Å; N211-K244 PolarHBondContact O-NZ 3.38Å
245	S	33.8	Very low	32.7	Very low	122 Å²	122	120.2 Å²	120.2	85%	0.853	69%	0.693	S	S	*	*			cis	-156.6	-175.2	37.9	62.8	0	0	0	0	115.4
246	Q	33.6	Very low	32.9	Very low	164 Å²	164	122.2 Å²	122.2	77%	0.766	69%	0.691	S	S	*	*			trans	-117.8	153.1	-154.1	-174.3	74.7	49.9	0	0	114.4
247	Q	32.3	Very low	32.9	Very low	150 Å²	150	121.3 Å²	121.3	70%	0.701	68%	0.682	S	S	*	*			trans	-138.3	164.9	144.9	-88.6	-150.7	64.7	0	0	111.7
248	C	30.2	Very low	33.1	Very low	78 Å²	78	124 Å²	124	53%	0.527	69%	0.686	S	S	.	*			trans	-162.1	-168.7	174.3	-152.1	0	0	0	0	111.2	K558	C248-K558 PolarHBondContact O-NZ 3.48Å
249	Y	31.1	Very low	33.1	Very low	158 Å²	158	124.7 Å²	124.7	62%	0.62	68%	0.681	S	S	*	*			trans	-162.9	170.8	142	-124.3	-117.2	0	0	0	110.3	K558 Q560	Y249-K558 HydrophobicContact CD2-CD 4.16Å; Y249-K558 HydrophobicContact CG-CD 4.13Å; Y249-Q560 VanDerWaalsContact O-CD 3.25Å; Y249-Q560 WeakPolarHBondContact O-CG 3.25Å; Y249-Q560 PolarHBondContact O-NE2 2.69Å
250	N	31.9	Very low	33.2	Very low	128 Å²	128	127.5 Å²	127.5	68%	0.684	68%	0.681	S	S	*	*			trans	-121.9	159.4	-154.5	-75.9	-19.9	0	0	0	117.6
251	C	32.3	Very low	33.5	Very low	83 Å²	83	129.8 Å²	129.8	56%	0.561	69%	0.685	S	S	*	*			trans	-169.6	156.1	146.2	-95.1	0	0	0	0	110.1	K562	C251-K562 PolarHBondContact O-NZ 3.36Å; C251-K562 VanDerWaalsContact O-NZ 3.14Å
252	I	35.2	Very low	33.6	Very low	141 Å²	141	131.5 Å²	131.5	72%	0.723	69%	0.687	S	S	*	*			cis	-164.6	161.9	-31	-154.2	160.9	0	0	0	111.3
253	N	34.1	Very low	33.6	Very low	137 Å²	137	131.8 Å²	131.8	73%	0.733	68%	0.679	S	S	*	*			trans	4.3	141.7	157.6	-65.6	10.7	0	0	0	121.5
254	S	35.4	Very low	33.7	Very low	91 Å²	91	133.3 Å²	133.3	64%	0.636	69%	0.693	S	S	*	*			cis	-177.3	179.3	12.2	-97.7	0	0	0	0	109.5
255	I	36.3	Very low	33.6	Very low	134 Å²	134	135.4 Å²	135.4	69%	0.687	71%	0.71	S	S	*	*			cis	-176.1	152.3	-14	-95.6	167.9	0	0	0	105.2
256	Q	35.9	Very low	33.7	Very low	145 Å²	145	136.2 Å²	136.2	68%	0.678	70%	0.704	S	S	*	*			cis	-153.3	-124.2	-19.7	-96.3	174.5	2.3	0	0	110	I219	I219-Q256 VanDerWaalsContact CD1-O 3.24Å; I219-Q256 WeakPolarHBondContact CD1-O 3.5Å
257	V	34.3	Very low	33.6	Very low	73 Å²	73	134.9 Å²	134.9	44%	0.442	70%	0.702	S	S	.	*			trans	-153	144.4	-155.1	-158.8	0	0	0	0	113.9	S218 I219	S218-V257 WeakPolarHBondContact OG-CG2 3.3Å; I219-V257 HydrophobicContact CD1-CB 4.05Å; I219-V257 HydrophobicContact CD1-CG1 3.74Å; I219-V257 HydrophobicContact CD1-CG2 4.09Å
258	K	35.5	Very low	33.8	Very low	204 Å²	204	134.3 Å²	134.3	89%	0.887	71%	0.709	S	S	*	*			trans	-172.7	150.3	137.8	-107.9	158.4	-172.5	174	0	119
259	N	33.3	Very low	33.8	Very low	133 Å²	133	135.3 Å²	135.3	71%	0.711	72%	0.717	S	S	*	*			trans	-129.2	168.2	178.8	-58.2	-27.1	0	0	0	110.4
260	H	35	Very low	33.8	Very low	167 Å²	167	132.1 Å²	132.1	77%	0.773	72%	0.717	S	S	*	*				171.4	157.6	109.9	-111.7	-81.9	0	0	0	117.9
261	L	36.9	Very low	33.9	Very low	165 Å²	165	135 Å²	135	86%	0.864	72%	0.724	S	S	*	*			trans	81.6	162.8	151.6	-74.1	165.3	0	0	0	120.7
262	N	31.8	Very low	33.9	Very low	140 Å²	140	136.2 Å²	136.2	75%	0.749	73%	0.733	S	S	*	*			trans	-155.6	176.2	-153.1	-169.7	21.1	0	0	0	111.4
263	N	31.1	Very low	34.4	Very low	126 Å²	126	134.1 Å²	134.1	67%	0.674	73%	0.729	S	S	*	*			trans	102.6	141	160.3	-68	4	0	0	0	119.9
264	N	34.7	Very low	34.4	Very low	148 Å²	148	134.1 Å²	134.1	79%	0.791	73%	0.729	S	S	*	*			trans	72.3	106.4	157.9	-61.9	4.1	0	0	0	119.4
265	N	31	Very low	34.6	Very low	157 Å²	157	136.8 Å²	136.8	84%	0.84	74%	0.736	S	S	*	*			trans	-67.3	140.7	147.7	-65	-42.1	0	0	0	109.5
266	D	36.3	Very low	34.7	Very low	139 Å²	139	135.3 Å²	135.3	74%	0.743	74%	0.737	S	S	*	*			trans	-161.3	108.3	144.6	-110.1	-30.5	0	0	0	112.3
267	N	31.8	Very low	35.1	Very low	135 Å²	135	134 Å²	134	72%	0.722	74%	0.741	S	S	*	*			trans	64.3	165.9	149.5	-51.5	-53.9	0	0	0	121.7
268	V	35	Very low	35.3	Very low	138 Å²	138	136.6 Å²	136.6	84%	0.836	76%	0.758	S	S	*	*			trans	60.8	97.8	164.5	-162.7	0	0	0	0	116.1
269	S	30.6	Very low	35.5	Very low	100 Å²	100	132.5 Å²	132.5	70%	0.699	75%	0.75	S	S	*	*			cis	104.7	120.7	46.5	-178.5	0	0	0	0	114.3
270	S	30.7	Very low	35.8	Very low	90 Å²	90	132.2 Å²	132.2	63%	0.629	75%	0.753	S	S	*	*			trans	79.1	150	151.1	81.4	0	0	0	0	121.5
271	K	35	Very low	36.1	Very low	189 Å²	189	130.7 Å²	130.7	82%	0.822	75%	0.751	S	S	*	*			trans	71.3	115.3	164.9	-57.4	165.6	-171.5	174.8	0	115.4
272	S	32.8	Very low	36.2	Very low	109 Å²	109	127.9 Å²	127.9	76%	0.762	74%	0.74	S	S	*	*			cis	63.9	139.3	23.1	-155.6	0	0	0	0	114.5
273	P	45.1	Very low	36.5	Very low	96 Å²	96	125.2 Å²	125.2	62%	0.623	74%	0.738	S	S	*	*			cis	-129.8	-144.9	-3.3	31.8	-7.4	0	0	0	112.5
274	N	35.3	Very low	36.7	Very low	138 Å²	138	126.1 Å²	126.1	74%	0.738	74%	0.741	S	S	*	*			trans	80.3	140.3	168.2	-50.7	-23.5	0	0	0	114.7
275	N	38.1	Very low	36.7	Very low	147 Å²	147	123 Å²	123	79%	0.786	73%	0.731	S	S	*	*			cis	-148.9	171.2	8.1	-94.6	-30.1	0	0	0	107.6
276	S	38.1	Very low	36.8	Very low	102 Å²	102	122.9 Å²	122.9	71%	0.713	73%	0.731	S	S	*	*			cis	-171.6	166.3	-19.8	53.3	0	0	0	0	106.5
277	P	44.4	Very low	36.7	Very low	117 Å²	117	120.5 Å²	120.5	76%	0.76	72%	0.724	S	S	*	*			trans	-105	169.2	-158.9	39.9	-36.6	0	0	0	116
278	T	39.4	Very low	36.9	Very low	129 Å²	129	120.3 Å²	120.3	79%	0.791	72%	0.724	S	S	*	*			trans	-158	118.3	146.4	13.1	0	0	0	0	112.4
279	T	39.2	Very low	36.8	Very low	118 Å²	118	118.7 Å²	118.7	72%	0.724	72%	0.718	S	S	*	*				38.6	131	127.5	60.2	0	0	0	0	120.3
280	T	40.2	Very low	37	Very low	127 Å²	127	124.1 Å²	124.1	78%	0.779	72%	0.723	S	S	*	*			cis	-146	-144.9	9.2	-15.9	0	0	0	0	110.7
281	N	40.7	Very low	37.2	Very low	135 Å²	135	125.6 Å²	125.6	72%	0.722	73%	0.729	S	S	*	*			cis	-154.8	-175	11.3	-154.5	18.6	0	0	0	113.9
282	T	38.8	Very low	37.2	Very low	105 Å²	105	121.7 Å²	121.7	64%	0.644	72%	0.721	S	S	*	*			trans	-53.5	140.7	174.2	49.9	0	0	0	0	114.6
283	A	37.6	Very low	37.1	Very low	84 Å²	84	122.2 Å²	122.2	69%	0.694	72%	0.72	S	S	*	*			cis	71.3	140.5	47.8	0	0	0	0	0	112
284	I	36.8	Very low	36.6	Very low	146 Å²	146	124.1 Å²	124.1	75%	0.749	72%	0.723	S	S	*	*			cis	-151.6	131.6	33	-97.7	113.1	0	0	0	106.3
285	S	33.4	Very low	36.4	Very low	83 Å²	83	123.2 Å²	123.2	58%	0.58	72%	0.723	S	S	*	*				68.4	138.1	65.6	72.4	0	0	0	0	116.7
286	N	33.9	Very low	36.2	Very low	154 Å²	154	123.6 Å²	123.6	82%	0.824	73%	0.725	S	S	*	*			trans	77.1	150.8	169.7	-55.4	-11.3	0	0	0	116.6
287	S	34.6	Very low	35.9	Very low	88 Å²	88	123.2 Å²	123.2	62%	0.615	72%	0.722	S	S	*	*			cis	-167.1	-176.6	-14.2	45.4	0	0	0	0	110.9
288	D	36.3	Very low	35.5	Very low	132 Å²	132	126.8 Å²	126.8	71%	0.706	73%	0.726	S	S	*	*			trans	71.1	113.7	156.8	-56.2	-53.8	0	0	0	118.6
289	S	32.7	Very low	35.2	Very low	103 Å²	103	126.8 Å²	126.8	72%	0.72	72%	0.721	S	S	*	*				84.3	158.4	92.5	92.3	0	0	0	0	113.1
290	R	33.4	Very low	34.8	Very low	214 Å²	214	126.8 Å²	126.8	81%	0.808	72%	0.722	S	S	*	*			cis	-168.5	165.7	13.8	-142.9	174.6	177.8	173	-1.9	108.2
291	T	34.7	Very low	34.6	Very low	121 Å²	121	128.1 Å²	128.1	74%	0.742	72%	0.722	S	S	*	*			trans	59.8	160.1	157.7	46.3	0	0	0	0	117.5
292	T	36.3	Very low	34.1	Very low	107 Å²	107	125.9 Å²	125.9	66%	0.656	72%	0.722	S	S	*	*			cis	-156.4	139.1	-12.9	15.2	0	0	0	0	105
293	T	29.4	Very low	34.1	Very low	121 Å²	121	127.9 Å²	127.9	74%	0.742	74%	0.735	S	S	*	*				62.5	144.7	61.8	-29.9	0	0	0	0	114.3
294	I	35.7	Very low	33.8	Very low	136 Å²	136	130.8 Å²	130.8	70%	0.697	74%	0.739	S	S	*	*			trans	78.7	93.2	175.5	-53	167.4	0	0	0	112.6
295	T	30.5	Very low	33.8	Very low	118 Å²	118	129.9 Å²	129.9	72%	0.724	75%	0.745	S	S	*	*				52.9	116.9	73.2	71	0	0	0	0	115.8
296	N	35.2	Very low	33.9	Very low	155 Å²	155	131.8 Å²	131.8	83%	0.829	75%	0.753	S	S	*	*			trans	-165.9	145.3	136	-97.7	-19.2	0	0	0	111.8
297	S	31.6	Very low	34	Very low	95 Å²	95	131.5 Å²	131.5	66%	0.664	76%	0.757	S	S	*	*			trans	-106.5	136.7	177.7	51	0	0	0	0	111
298	F	36.2	Very low	33.9	Very low	192 Å²	192	134.1 Å²	134.1	84%	0.842	76%	0.763	S	S	*	*			trans	-174.8	154.6	160.1	-81.8	-62.1	0	0	0	107.3
299	D	32.6	Very low	33.7	Very low	128 Å²	128	134.3 Å²	134.3	68%	0.684	77%	0.768	S	S	*	*			cis	-171.9	137	-36.1	-125.4	22.3	0	0	0	108.9
300	T	31.3	Very low	33.6	Very low	119 Å²	119	134.9 Å²	134.9	73%	0.73	77%	0.772	S	S	*	*			trans	62.2	165.4	147	-41.7	0	0	0	0	120
301	I	34.9	Very low	33.3	Very low	154 Å²	154	131.3 Å²	131.3	79%	0.79	77%	0.774	S	S	*	*			trans	68	100.9	170.3	-43.1	179.7	0	0	0	114.4
302	A	30.7	Very low	33.3	Very low	88 Å²	88	131.1 Å²	131.1	73%	0.727	78%	0.778	S	S	*	*			cis	74.7	100.8	44.2	0	0	0	0	0	116
303	T	38.7	Very low	33.2	Very low	147 Å²	147	133.6 Å²	133.6	90%	0.902	79%	0.787	S	S	*	*			trans	-165.5	156	146.7	23.9	0	0	0	0	111.1
304	D	30.2	Very low	33.6	Very low	146 Å²	146	132.7 Å²	132.7	78%	0.781	78%	0.784	S	S	*	*			trans	-68.1	154.5	-174.9	-53.8	-86.1	0	0	0	116.1
305	S	37.9	Very low	33.5	Very low	127 Å²	127	135.5 Å²	135.5	89%	0.888	79%	0.791	S	S	*	*			trans	-161.5	107.8	147.9	-79.3	0	0	0	0	110.5
306	T	35.4	Very low	33.8	Very low	122 Å²	122	133.8 Å²	133.8	75%	0.748	79%	0.789	S	S	*	*			trans	-85.8	135.3	-179.9	51.8	0	0	0	0	113
307	V	34.9	Very low	33.8	Very low	149 Å²	149	135.5 Å²	135.5	90%	0.903	79%	0.789	S	S	*	*			trans	-138.7	141.5	143	-176.1	0	0	0	0	108.7
308	I	32.9	Very low	33.8	Very low	143 Å²	143	137.8 Å²	137.8	73%	0.733	79%	0.793	S	S	*	*			trans	-111.5	160.7	-172.9	-25.6	173.1	0	0	0	106.6
309	V	33.4	Very low	33.7	Very low	136 Å²	136	138.4 Å²	138.4	82%	0.824	80%	0.796	S	S	*	*			cis	-153.3	155.2	43	-174.6	0	0	0	0	110.7
310	S	29.4	Very low	33.6	Very low	114 Å²	114	137.1 Å²	137.1	80%	0.797	79%	0.793	S	S	*	*			trans	-102.5	165.9	-178.9	-54.9	0	0	0	0	114.6
311	T	27.9	Very low	33.6	Very low	139 Å²	139	136 Å²	136	85%	0.853	79%	0.789	S	S	*	*			trans	-96.3	144.4	169.8	53.3	0	0	0	0	112.6
312	S	35.3	Very low	33.4	Very low	118 Å²	118	133.7 Å²	133.7	83%	0.825	79%	0.788	S	S	*	*			trans	-160.3	128.5	164.8	59.7	0	0	0	0	115.8
313	N	32.9	Very low	33.4	Very low	158 Å²	158	136.3 Å²	136.3	85%	0.845	79%	0.789	S	S	*	*			trans	-76.1	-176.5	150.9	-100.4	-19.7	0	0	0	109.2
314	P	37.2	Very low	33.1	Very low	103 Å²	103	133.4 Å²	133.4	67%	0.669	78%	0.775	S	S	*	*			cis	-159	-166.1	29.7	47.3	-24	0	0	0	119.7
315	F	34.5	Very low	33	Very low	194 Å²	194	131.2 Å²	131.2	85%	0.851	77%	0.771	S	S	*	*			trans	45.1	102.3	144.9	-72.3	-60.2	0	0	0	124.7
316	A	36.4	Very low	32.6	Very low	83 Å²	83	132.3 Å²	132.3	69%	0.686	77%	0.766	S	S	*	*				60.7	146.1	101.1	0	0	0	0	0	125.9
317	K	35.5	Very low	32.4	Very low	191 Å²	191	132.2 Å²	132.2	83%	0.83	76%	0.76	S	S	*	*			trans	75.1	113.7	158.3	-72	-178.2	178	178.8	0	118.4
318	L	30.8	Very low	32.3	Very low	143 Å²	143	134.9 Å²	134.9	75%	0.749	76%	0.755	S	S	*	*				84.1	111.7	72	-104.5	174.8	0	0	0	114.5
319	F	34	Very low	32.3	Very low	204 Å²	204	134.7 Å²	134.7	90%	0.895	75%	0.751	S	S	*	*			trans	-160.2	180	133.9	-107.1	-66.3	0	0	0	110.3
320	T	32.4	Very low	32.2	Very low	102 Å²	102	135.6 Å²	135.6	63%	0.626	75%	0.746	S	S	*	*			trans	-126.1	168.5	-144.7	55.2	0	0	0	0	117
321	S	30.2	Very low	32.4	Very low	94 Å²	94	135.4 Å²	135.4	66%	0.657	74%	0.74	S	S	*	*			trans	75.7	125.8	138.4	55.1	0	0	0	0	121.5
322	S	31.3	Very low	32.9	Very low	107 Å²	107	136.4 Å²	136.4	75%	0.748	74%	0.735	S	S	*	*			trans	72.1	153.3	145.6	72.7	0	0	0	0	117.4
323	N	31	Very low	32.9	Very low	142 Å²	142	134.3 Å²	134.3	76%	0.759	72%	0.719	S	S	*	*			cis	-152.9	174.7	7.1	-139.2	-5.7	0	0	0	112.2
324	S	31	Very low	32.7	Very low	87 Å²	87	132.4 Å²	132.4	61%	0.608	70%	0.7	S	S	*	*			trans	48.1	109.7	152.1	-57.2	0	0	0	0	119.3
325	S	28.9	Very low	32.6	Very low	99 Å²	99	132.1 Å²	132.1	69%	0.692	69%	0.692	S	S	*	*				54.4	121.6	73.9	80	0	0	0	0	115.6
326	L	29.8	Very low	32.3	Very low	150 Å²	150	127.3 Å²	127.3	79%	0.785	68%	0.682	S	S	*	*				176.6	124.5	113.7	-88.8	169.3	0	0	0	112.4
327	I	30.7	Very low	32	Very low	120 Å²	120	128.3 Å²	128.3	62%	0.615	68%	0.684	S	S	*	*			trans	29.7	120	136.7	-43.7	175.5	0	0	0	119.3
328	Y	31.9	Very low	31.8	Very low	206 Å²	206	127.2 Å²	127.2	81%	0.808	69%	0.686	S	S	*	*				-169	128.1	104.3	-109.5	-97	0	0	0	107.3
329	H	33	Very low	31.6	Very low	138 Å²	138	124.5 Å²	124.5	64%	0.639	68%	0.679	S	S	*	*				55.3	133.9	72.1	-86.3	-114.6	0	0	0	112.3
330	Q	32.5	Very low	31.4	Very low	156 Å²	156	121.1 Å²	121.1	73%	0.729	67%	0.668	S	S	*	*			cis	-165.8	155.8	6.1	-140.1	172	-54.6	0	0	105.1
331	T	34.2	Very low	31.2	Very low	109 Å²	109	124.1 Å²	124.1	67%	0.669	67%	0.672	S	S	*	*			cis	-162.9	154.1	40.3	46.1	0	0	0	0	107.1
332	Q	37.1	Very low	31.2	Very low	160 Å²	160	124.8 Å²	124.8	75%	0.748	67%	0.672	S	S	*	*				57.9	151.6	54.4	-72.9	-98.6	-7.6	0	0	113.6
333	P	36.3	Very low	30.9	Very low	74 Å²	74	126.1 Å²	126.1	48%	0.481	67%	0.671	S	S	.	*			cis	-125.5	172.6	9.8	34.8	-13.4	0	0	0	113.8	D489 N490	P333-D489 CarbonylContact C-O 3.51Å; P333-D489 CarbonylContact O-C 3.52Å; P333-N490 VanDerWaalsContact O-O 3.06Å
334	R	29	Very low	30.9	Very low	119 Å²	119	128.9 Å²	128.9	45%	0.449	68%	0.676	S	S	.	*				-164.4	137.5	60.1	-80.6	-176.3	164.8	150.9	-8.5	117.2	N488 D489	R334-N488 WeakPolarHBondContact CD-O 3.36Å; R334-D489 HydrophobicContact CB-CB 3.99Å; R334-D489 HydrophobicContact CG-CB 4.05Å; R334-D489 IonicContact CZ-OD2 3.31Å; R334-D489 PolarHBondContact N-O 3.11Å; R334-D489 IonicContact NE-OD2 3.65Å; R334-D489 IonicContact NH1-OD2 2.72Å; R334-D489 PolarHBondContact NH1-OD2 2.94Å
335	I	33.8	Very low	31	Very low	97 Å²	97	129.5 Å²	129.5	50%	0.497	68%	0.679	S	S	.	*				59	106.5	125.7	-54.1	173.6	0	0	0	115.9	Y487	I335-Y487 WeakPolarHBondContact CG2-O 3.28Å
336	S	29.4	Very low	31.1	Very low	93 Å²	93	131.4 Å²	131.4	65%	0.65	69%	0.686	S	S	*	*			cis	73.3	95.6	35.1	-39.6	0	0	0	0	113.9
337	S	30	Very low	30.9	Very low	104 Å²	104	133.9 Å²	133.9	73%	0.727	69%	0.685	S	S	*	*				86	132.5	91.6	72.7	0	0	0	0	115.4
338	L	29.7	Very low	30.7	Very low	167 Å²	167	135.5 Å²	135.5	87%	0.874	69%	0.69	S	S	*	*			trans	-143.5	133.5	139.6	-113.3	76.8	0	0	0	106.1
339	S	28.1	Very low	30.5	Very low	87 Å²	87	133.9 Å²	133.9	61%	0.608	69%	0.692	S	S	*	*				74.9	122.8	69.2	-135.3	0	0	0	0	110.4
340	M	28.9	Very low	30.2	Very low	133 Å²	133	135.8 Å²	135.8	66%	0.655	70%	0.698	S	S	*	*			cis	-154.1	170	20.7	-84.6	-150.4	159.7	0	0	114.2
341	K	28	Very low	30	Very low	164 Å²	164	137.7 Å²	137.7	71%	0.713	70%	0.704	S	S	*	*			trans	34	142.4	132.2	-60.9	174	-174	160.6	0	119.5
342	T	30	Very low	29.9	Very low	108 Å²	108	138 Å²	138	66%	0.663	71%	0.706	S	S	*	*			cis	-166.5	158.7	11.7	5.7	0	0	0	0	111.7
343	N	26.4	Very low	29.4	Very low	136 Å²	136	140.9 Å²	140.9	73%	0.727	71%	0.71	S	S	*	*			trans	22.2	133.1	140.9	-52.9	-4.7	0	0	0	120.5
344	K	30.2	Very low	29.2	Very low	199 Å²	199	146.8 Å²	146.8	87%	0.865	73%	0.728	S	S	*	*			trans	122.6	151.9	148.3	-70.4	162.8	-176.1	178.5	0	113.1
345	P	33.7	Very low	29.2	Very low	101 Å²	101	148.8 Å²	148.8	66%	0.656	74%	0.743	S	S	*	*			cis	-136.6	160.7	-30.3	36.9	-21.6	0	0	0	114.4	W347	P345-W347 PolarHBondContact O-N 2.75Å
346	V	29.5	Very low	28.9	Very low	139 Å²	139	154.7 Å²	154.7	84%	0.842	76%	0.76	S	S	*	*			trans	-87.9	101.3	160.6	177.3	0	0	0	0	109.1
347	W	27.2	Very low	28.9	Very low	201 Å²	201	155.3 Å²	155.3	76%	0.761	76%	0.76	S	S	*	*			trans	-140.6	106.3	158.5	-71.6	100.1	0	0	0	106.9	P345	P345-W347 PolarHBondContact O-N 2.75Å
348	Q	25.7	Very low	28.9	Very low	154 Å²	154	158.8 Å²	158.8	72%	0.72	76%	0.764	S	S	*	*				49.1	96.2	93	-68.7	-163.2	-6	0	0	113.3
349	M	28.2	Very low	28.9	Very low	173 Å²	173	156.6 Å²	156.6	85%	0.852	75%	0.753	S	S	*	*			trans	-128.1	122.6	151.3	-152.3	165.6	-164	0	0	109.7
350	K	26.9	Very low	28.9	Very low	177 Å²	177	164.5 Å²	164.5	77%	0.77	77%	0.77	S	S	*	*			trans	-79.4	133.6	179	-57.8	164.5	-176.1	169.6	0	108
351	F	27.4	Very low	28.9	Very low	196 Å²	196	163.3 Å²	163.3	86%	0.86	77%	0.77	S	S	*	*			trans	-113.8	111.9	157	-99.3	-83	0	0	0	110.7
352	T	32.8	Very low	28.9	Very low	116 Å²	116	163.1 Å²	163.1	71%	0.712	78%	0.775	S	S	*	*			trans	-86.7	118.7	-176.8	46.5	0	0	0	0	111	K354	T352-K354 PolarHBondContact O-N 3.29Å
353	R	25.5	Very low	28.9	Very low	221 Å²	221	163.4 Å²	163.4	83%	0.834	78%	0.777	S	S	*	*			trans	-4.5	105.4	158.1	-168.8	-173.9	-160.2	-179.4	5.8	115.5
354	K	32.5	Very low	28.9	Very low	198 Å²	198	165.1 Å²	165.1	86%	0.861	79%	0.786	S	S	*	*			trans	-109.2	134.4	151.2	-78.2	-172.3	174.6	-178.4	0	108.4	T352	T352-K354 PolarHBondContact O-N 3.29Å
355	Q	29.9	Very low	28.8	Very low	160 Å²	160	160.1 Å²	160.1	75%	0.748	78%	0.776	S	S	*	*			trans	-83.3	127	179.8	-70.2	172.6	-86.8	0	0	110	V357	Q355-V357 PolarHBondContact O-N 2.66Å
356	Y	26.8	Very low	28.5	Very low	222 Å²	222	160.7 Å²	160.7	87%	0.871	78%	0.782	S	S	*	*			trans	-73	109.3	164	-91.7	-102.1	0	0	0	109.2
357	V	29.9	Very low	28.6	Very low	106 Å²	106	159.2 Å²	159.2	64%	0.642	78%	0.778	S	S	*	*			trans	-111.4	108.6	155.7	179.5	0	0	0	0	106.4	Q355	Q355-V357 PolarHBondContact O-N 2.66Å
358	H	30.3	Very low	28.6	Very low	177 Å²	177	154.6 Å²	154.6	82%	0.819	78%	0.777	S	S	*	*			trans	-125.3	85.9	167.2	-113.5	52.7	0	0	0	108.3	R360	H358-R360 PolarHBondContact O-N 3.27Å
359	N	28.9	Very low	28.7	Very low	120 Å²	120	155.4 Å²	155.4	64%	0.642	78%	0.784	S	S	*	*			trans	-60.3	130.2	166.1	-81	-22	0	0	0	108.7	T361	N359-T361 HydrophobicContact CB-CG2 4.07Å; N359-T361 PolarHBondContact O-N 3.3Å
360	R	27.4	Very low	28.8	Very low	254 Å²	254	151.7 Å²	151.7	96%	0.958	78%	0.781	S	S	*	*			trans	-75.1	61	155.6	-86.5	-173.1	166.8	-177.2	-3.4	109.9	H358 I362	H358-R360 PolarHBondContact O-N 3.27Å; R360-I362 PolarHBondContact O-N 2.79Å
361	T	30	Very low	28.9	Very low	108 Å²	108	148.1 Å²	148.1	66%	0.663	78%	0.778	S	S	*	*			trans	-71.7	104	161	33.7	0	0	0	0	108	N359	N359-T361 HydrophobicContact CB-CG2 4.07Å; N359-T361 PolarHBondContact O-N 3.3Å
362	I	27.9	Very low	29	Very low	159 Å²	159	145.4 Å²	145.4	82%	0.815	77%	0.772	S	S	*	*			trans	-60.6	138.6	164.1	-67.5	176.3	0	0	0	107.9	R360 N364	R360-I362 PolarHBondContact O-N 2.79Å; I362-N364 PolarHBondContact O-N 3.22Å
363	V	29.9	Very low	28.9	Very low	115 Å²	115	145.6 Å²	145.6	70%	0.697	77%	0.773	S	S	*	*			trans	-70.5	112.1	-171.1	176.5	0	0	0	0	111.2	S365	V363-S365 WeakPolarHBondContact CG1-OG 3.47Å
364	N	26.3	Very low	29.2	Very low	171 Å²	171	145.7 Å²	145.7	91%	0.914	77%	0.774	S	S	*	*			trans	-90.5	88.3	161.9	-92.2	-9.8	0	0	0	109.3	I362	I362-N364 PolarHBondContact O-N 3.22Å
365	S	27.5	Very low	29.2	Very low	95 Å²	95	140.1 Å²	140.1	66%	0.664	76%	0.76	S	S	*	*			trans	-165.3	74.6	168.9	63.1	0	0	0	0	115.2	V363	V363-S365 WeakPolarHBondContact CG1-OG 3.47Å
366	S	28.2	Very low	29.3	Very low	112 Å²	112	142.7 Å²	142.7	78%	0.783	76%	0.763	S	S	*	*			trans	-157.9	133.1	150.1	45	0	0	0	0	112.5	S368	S366-S368 PolarHBondContact O-N 2.76Å
367	S	30.7	Very low	29.8	Very low	108 Å²	108	139.3 Å²	139.3	76%	0.755	76%	0.755	S	S	*	*			trans	-2.6	112.6	157.5	49.7	0	0	0	0	115.6
368	S	27.3	Very low	29.9	Very low	104 Å²	104	138 Å²	138	73%	0.727	74%	0.744	S	S	*	*				40.2	103.4	55.2	-64	0	0	0	0	114	S366	S366-S368 PolarHBondContact O-N 2.76Å
369	I	29	Very low	30.1	Very low	171 Å²	171	132.1 Å²	132.1	88%	0.877	72%	0.717	S	S	*	*			trans	67.4	95.6	151.5	-48.7	166.1	0	0	0	116.5
370	A	29.4	Very low	30.4	Very low	96 Å²	96	133.6 Å²	133.6	79%	0.793	72%	0.719	S	S	*	*				-156.3	127.2	129.9	0	0	0	0	0	112
371	S	28.8	Very low	30.6	Very low	101 Å²	101	127.9 Å²	127.9	71%	0.706	70%	0.703	S	S	*	*			trans	-39.8	161.7	162.3	53	0	0	0	0	116.6
372	L	29.4	Very low	30.6	Very low	139 Å²	139	130.2 Å²	130.2	73%	0.728	71%	0.706	S	S	*	*			cis	-148.5	164.9	28.9	-83.5	89.9	0	0	0	113.6
373	T	32.3	Very low	30.8	Very low	121 Å²	121	128.2 Å²	128.2	74%	0.742	70%	0.697	S	S	*	*			trans	66.8	136	146	41.1	0	0	0	0	120.7
374	R	30.8	Very low	30.8	Very low	222 Å²	222	129 Å²	129	84%	0.838	70%	0.697	S	S	*	*			cis	-160.8	149.3	-6.6	-153.2	178.1	-178.2	163.3	1.2	112.4
375	S	32.9	Very low	31.1	Very low	82 Å²	82	129.9 Å²	129.9	57%	0.573	70%	0.696	S	S	*	*			trans	67.5	137.9	161.9	-60.9	0	0	0	0	118.1
376	R	32.4	Very low	31.1	Very low	214 Å²	214	130.2 Å²	130.2	81%	0.808	70%	0.697	S	S	*	*			cis	-153.1	120.3	-10.9	-109.1	165.1	172.4	170.9	-4.8	105.9
377	Q	35.6	Very low	31.2	Very low	150 Å²	150	132.5 Å²	132.5	70%	0.701	70%	0.695	S	S	*	*				78.6	135.9	67.1	-73.2	-173.4	-58.6	0	0	114.7
378	L	33.7	Very low	31.2	Very low	78 Å²	78	134.3 Å²	134.3	41%	0.408	69%	0.691	S	S	.	*			cis	-172.3	172.7	-15.6	-121.9	175.7	0	0	0	112.7	Y394	L378-Y394 CarbonylContact O-C 2.81Å
379	H	34	Very low	31.3	Very low	55 Å²	55	136.2 Å²	136.2	26%	0.255	69%	0.689	S	S	.	*			trans	69.1	116.4	153.3	-74.4	-46.8	0	0	0	120.8	Y395	H379-Y395 PolarHBondContact O-N 3.21Å
380	H	34.4	Very low	31.5	Very low	150 Å²	150	135.8 Å²	135.8	69%	0.694	68%	0.683	S	S	*	*				78.3	159.3	71.5	-76	-141.5	0	0	0	113.2
381	H	31.6	Very low	31.6	Very low	135 Å²	135	138 Å²	138	63%	0.625	68%	0.68	S	S	*	*			cis	-153.8	-175.1	32.5	-125	-76.7	0	0	0	113.7
382	H	30.9	Very low	31.8	Very low	156 Å²	156	139.5 Å²	139.5	72%	0.722	68%	0.676	S	S	*	*			trans	84.9	144.4	167.4	-52.7	-63.5	0	0	0	116.2
383	N	31	Very low	32.1	Very low	118 Å²	118	138.1 Å²	138.1	63%	0.631	67%	0.666	S	S	*	*			cis	-160.8	162	-10.6	-105.2	7	0	0	0	107.1
384	N	31	Very low	32.1	Very low	130 Å²	130	139.4 Å²	139.4	70%	0.695	66%	0.658	S	S	*	*			cis	-151.5	132.9	-6.2	-123.5	-6.3	0	0	0	108.9
385	H	31.5	Very low	32.3	Very low	191 Å²	191	135.8 Å²	135.8	88%	0.884	65%	0.646	S	S	*	*			trans	-138.3	150	147.6	-130.4	-86.5	0	0	0	108.1
386	C	28	Very low	32.3	Very low	101 Å²	101	138.7 Å²	138.7	68%	0.682	65%	0.65	S	S	*	*			trans	-58.3	139.1	-163	-85.4	0	0	0	0	116.1
387	H	30.1	Very low	32.4	Very low	160 Å²	160	134.7 Å²	134.7	74%	0.741	64%	0.64	S	S	*	*			trans	57	137.1	141.6	-61.8	72.3	0	0	0	118.1
388	Q	30.6	Very low	32.5	Very low	146 Å²	146	133.4 Å²	133.4	68%	0.682	63%	0.634	S	S	*	*			cis	-161.1	158.5	13.3	-133.2	178.4	16.5	0	0	111
389	Q	30.7	Very low	32.4	Very low	145 Å²	145	134.3 Å²	134.3	68%	0.678	65%	0.647	S	S	*	*			trans	73.6	108.9	156.1	-59.1	-179.3	48.8	0	0	121.1
390	Q	32.2	Very low	32.3	Very low	161 Å²	161	142.1 Å²	142.1	75%	0.752	67%	0.674	S	S	*	*			trans	91.3	98.1	135	-62.1	178.3	27	0	0	123.5
391	L	30.6	Very low	32.1	Very low	142 Å²	142	145.1 Å²	145.1	74%	0.743	68%	0.679	S	S	*	*				89.3	104.9	127.8	-59.8	172.6	0	0	0	124.2
392	H	33.2	Very low	32	Very low	133 Å²	133	150.1 Å²	150.1	62%	0.616	69%	0.693	S	S	*	*			trans	86.4	97.5	131.8	-97.4	-108.8	0	0	0	125.3
393	H	35.7	Very low	31.8	Very low	111 Å²	111	152.9 Å²	152.9	51%	0.514	70%	0.703	S	S	.	*				85.3	125.3	117.9	-84.7	46.3	0	0	0	124.6
394	Y	33.1	Very low	31.9	Very low	147 Å²	147	152.2 Å²	152.2	58%	0.576	71%	0.708	S	S	*	*				103.4	90.6	129.9	-97.3	-125.2	0	0	0	124.9	L378	L378-Y394 CarbonylContact O-C 2.81Å
395	Y	34.3	Very low	31.9	Very low	147 Å²	147	150.8 Å²	150.8	58%	0.576	71%	0.708	S	S	*	*			trans	83.5	147.4	134.4	-90.3	-130.2	0	0	0	118	H379	H379-Y395 PolarHBondContact O-N 3.21Å
396	H	34.4	Very low	31.9	Very low	142 Å²	142	149.9 Å²	149.9	66%	0.657	71%	0.709	S	S	*	*			cis	-158.6	-170	-3.9	-147.3	-165.4	0	0	0	108.1
397	H	33.7	Very low	32.1	Very low	131 Å²	131	149.3 Å²	149.3	61%	0.606	71%	0.706	S	S	*	*			cis	-151.7	-111.6	2.1	-180	-141.1	0	0	0	111.8
398	Q	37.8	Very low	32.2	Very low	123 Å²	123	150.6 Å²	150.6	58%	0.575	71%	0.709	S	S	*	*			trans	-149.2	176.7	-175	-60.9	-177.9	86.3	0	0	108.4
399	S	32.1	Very low	32.4	Very low	97 Å²	97	153.2 Å²	153.2	68%	0.678	72%	0.718	S	S	*	*			cis	-152.2	167.5	13.1	65.3	0	0	0	0	109.2
400	R	31.4	Very low	32.4	Very low	218 Å²	218	150.4 Å²	150.4	82%	0.823	72%	0.715	S	S	*	*			cis	82.6	143.1	13.8	-55.7	-169.5	173.7	-138.8	0.7	115.5
401	R	30.3	Very low	32.4	Very low	213 Å²	213	152.3 Å²	152.3	80%	0.804	72%	0.721	S	S	*	*			cis	-138	143.3	17.3	-54.1	162	-167.8	-150.3	-1.8	107.7
402	R	30.3	Very low	32.7	Very low	241 Å²	241	151.1 Å²	151.1	91%	0.909	72%	0.721	S	S	*	*				61.9	125.4	50	-81.5	-155.6	-176.6	-165.5	3.4	116.3
403	F	25.9	Very low	32.8	Very low	213 Å²	213	151.3 Å²	151.3	93%	0.934	73%	0.732	S	S	*	*			trans	-77.5	143.3	171.1	-79.8	-105.6	0	0	0	112.6
404	S	32.7	Very low	32.8	Very low	105 Å²	105	152.4 Å²	152.4	73%	0.734	74%	0.741	S	S	*	*			trans	173.5	100.9	155.5	52.7	0	0	0	0	107.8
405	S	31.4	Very low	32.8	Very low	100 Å²	100	149.6 Å²	149.6	70%	0.699	74%	0.736	S	S	*	*				76.9	120.2	80.8	70.2	0	0	0	0	114.8
406	L	31.6	Very low	32.9	Very low	172 Å²	172	148.6 Å²	148.6	90%	0.901	74%	0.741	S	S	*	*			trans	68.8	145.3	172.3	-76	76.3	0	0	0	115.8
407	S	32	Very low	33.1	Very low	89 Å²	89	149.1 Å²	149.1	62%	0.622	74%	0.744	S	S	*	*			cis	-153.9	160.1	-8.3	78.5	0	0	0	0	113.1
408	K	32.3	Very low	33.3	Very low	186 Å²	186	149.8 Å²	149.8	81%	0.809	75%	0.75	S	S	*	*			trans	64	129.4	153	-67.7	172.6	179.8	175.4	0	120.1
409	K	33.8	Very low	33	Very low	202 Å²	202	149.2 Å²	149.2	88%	0.878	75%	0.751	S	S	*	*			trans	71.2	144.1	167.8	-57.1	178.3	179.9	-178.6	0	116.4
410	S	32.3	Very low	33.1	Very low	86 Å²	86	152.7 Å²	152.7	60%	0.601	76%	0.757	S	S	*	*			cis	-172	145.7	-24.2	48.1	0	0	0	0	111.1
411	F	32.4	Very low	33.1	Very low	200 Å²	200	148.7 Å²	148.7	88%	0.877	75%	0.75	S	S	*	*			trans	77.3	145.5	169.4	-58.3	-71.9	0	0	0	119.3
412	P	35.2	Very low	33.2	Very low	117 Å²	117	146.9 Å²	146.9	76%	0.76	74%	0.744	S	S	*	*			trans	-115.2	179	-174.6	44	-35.3	0	0	0	114.4
413	V	36.2	Very low	33.5	Very low	137 Å²	137	143.3 Å²	143.3	83%	0.83	74%	0.736	S	S	*	*			trans	-171	155.4	143.5	133.4	0	0	0	0	111.6
414	N	35.1	Very low	34	Very low	134 Å²	134	138.1 Å²	138.1	72%	0.717	73%	0.726	S	S	*	*			trans	-16	167.8	169.4	-76.8	-23.1	0	0	0	121.3
415	N	33.4	Very low	34.1	Very low	88 Å²	88	142 Å²	142	47%	0.471	73%	0.732	S	S	.	*			cis	162	148.4	-30	-108.1	-32.8	0	0	0	107.7	T545	N415-T545 PolarHBondContact ND2-O 3.08Å
416	N	36.4	Very low	34.4	Very low	127 Å²	127	142.3 Å²	142.3	68%	0.679	73%	0.731	S	S	*	*			trans	67.5	166.1	168.5	-45.5	-28.2	0	0	0	115.4
417	H	38.6	Very low	34.4	Very low	153 Å²	153	141.4 Å²	141.4	71%	0.708	73%	0.726	S	S	*	*			cis	-158	167.4	11.3	-150.8	-64.9	0	0	0	111.6
418	I	37.6	Very low	34.3	Very low	144 Å²	144	142.2 Å²	142.2	74%	0.738	73%	0.732	S	S	*	*			trans	76.5	119.2	165.4	-51.3	171.8	0	0	0	114.4
419	D	32	Very low	34.5	Very low	112 Å²	112	141.1 Å²	141.1	60%	0.599	73%	0.734	S	S	*	*			cis	88.1	101.6	35.7	-85.8	-52.1	0	0	0	118.4
420	Q	33.1	Very low	34.3	Very low	170 Å²	170	139 Å²	139	79%	0.794	73%	0.726	S	S	*	*			trans	65.2	177.5	134.7	-69.4	-179	63.5	0	0	121.3
421	I	32	Very low	34.4	Very low	133 Å²	133	145.2 Å²	145.2	68%	0.682	74%	0.738	S	S	*	*			trans	61.1	106.8	174.7	-7.9	-178.5	0	0	0	114.8
422	Y	32.9	Very low	34.3	Very low	175 Å²	175	141.6 Å²	141.6	69%	0.686	73%	0.728	S	S	*	*				-177.8	151.1	69.2	-103.2	-66.8	0	0	0	113.3
423	K	36.4	Very low	34.2	Very low	167 Å²	167	146.1 Å²	146.1	73%	0.726	73%	0.731	S	S	*	*			trans	60.1	150.6	146.6	-72.2	152.7	-171.8	150	0	118.7
424	S	37.1	Very low	33.8	Very low	104 Å²	104	144.3 Å²	144.3	73%	0.727	72%	0.721	S	S	*	*			cis	-171.2	148.1	-16.4	45.7	0	0	0	0	109.7
425	H	35.2	Very low	33.7	Very low	187 Å²	187	142.9 Å²	142.9	87%	0.866	72%	0.719	S	S	*	*			trans	-71.6	150.1	168.6	-74.2	-39.5	0	0	0	112.8
426	P	36.9	Very low	33.3	Very low	105 Å²	105	142.8 Å²	142.8	68%	0.682	73%	0.725	S	S	*	*				-113.5	144.5	120.1	-7.4	27.6	0	0	0	110.6
427	I	32.6	Very low	32.8	Very low	153 Å²	153	144.3 Å²	144.3	79%	0.785	73%	0.733	S	S	*	*				60.8	93.6	65.1	-54.4	167	0	0	0	109.5
428	S	28.8	Very low	32.2	Very low	107 Å²	107	141.4 Å²	141.4	75%	0.748	73%	0.73	S	S	*	*				71.3	114.2	68.9	-170.3	0	0	0	0	114.3
429	L	35.8	Very low	32	Very low	162 Å²	162	141.4 Å²	141.4	85%	0.848	73%	0.732	S	S	*	*			trans	-146.6	128.8	154.9	-85	-178	0	0	0	109.9
430	H	30.4	Very low	32.1	Very low	157 Å²	157	142.2 Å²	142.2	73%	0.727	74%	0.74	S	S	*	*			trans	-74.7	158.4	160.8	-89.9	-16.1	0	0	0	110.5
431	Y	34.1	Very low	32.1	Very low	217 Å²	217	139.4 Å²	139.4	85%	0.851	74%	0.735	S	S	*	*			trans	-145.9	99.3	143.1	-100.1	-73.4	0	0	0	110
432	D	30.1	Very low	32	Very low	124 Å²	124	140.5 Å²	140.5	66%	0.663	74%	0.737	S	S	*	*			trans	-82	148.7	160.7	-71.9	-63	0	0	0	109.9
433	Y	33.8	Very low	31.8	Very low	212 Å²	212	140.2 Å²	140.2	83%	0.831	74%	0.742	S	S	*	*			trans	-151.6	90.5	160.9	-130.6	-93.4	0	0	0	111.5
434	T	27.6	Very low	31.5	Very low	99 Å²	99	139.8 Å²	139.8	61%	0.607	75%	0.746	S	S	*	*				27.5	163.2	118.1	64.1	0	0	0	0	120.5
435	P	32.8	Very low	31.1	Very low	105 Å²	105	139.7 Å²	139.7	68%	0.682	74%	0.744	S	S	*	*			cis	-142.5	175.7	-40.8	38.8	-21.4	0	0	0	114.7
436	S	24.9	Very low	30.8	Very low	85 Å²	85	135.6 Å²	135.6	59%	0.594	74%	0.736	S	S	*	*			trans	47.3	131.9	139.1	69.6	0	0	0	0	123.7
437	N	25.4	Very low	30.5	Very low	160 Å²	160	136.9 Å²	136.9	86%	0.856	74%	0.737	S	S	*	*			trans	73.2	157.4	150.3	-47.4	-19.2	0	0	0	116.1
438	S	27.9	Very low	30.6	Very low	91 Å²	91	137.9 Å²	137.9	64%	0.636	74%	0.738	S	S	*	*			cis	-149.8	168.9	11.6	71.4	0	0	0	0	115.1
439	D	32.5	Very low	31.3	Very low	144 Å²	144	137.2 Å²	137.2	77%	0.77	74%	0.74	S	S	*	*			trans	72.5	165.1	144.9	-55.9	-34.4	0	0	0	124.1
440	V	34.8	Very low	31.4	Very low	129 Å²	129	133.3 Å²	133.3	78%	0.782	72%	0.722	S	S	*	*			trans	69.6	74	175.4	-163.1	0	0	0	0	114.5
441	V	31.4	Very low	32	Very low	112 Å²	112	128.8 Å²	128.8	68%	0.679	71%	0.706	S	S	*	*				81.8	91.5	91.5	164.4	0	0	0	0	111
442	Q	30.1	Very low	32.7	Very low	156 Å²	156	122.2 Å²	122.2	73%	0.729	69%	0.692	S	S	*	*				77.9	144.1	92.1	-78	175.7	-11.1	0	0	114.3
443	Q	30.1	Very low	33.3	Very low	168 Å²	168	123.6 Å²	123.6	79%	0.785	69%	0.688	S	S	*	*			trans	56.8	101.3	157.5	-67.4	179.8	5	0	0	115.8
444	L	30.1	Very low	33.7	Very low	158 Å²	158	115.7 Å²	115.7	83%	0.827	66%	0.658	S	S	*	*				-160.3	172.5	71.7	-119	57.2	0	0	0	111.4
445	P	27.9	Very low	34.5	Very low	103 Å²	103	113.2 Å²	113.2	67%	0.669	65%	0.652	S	S	*	*			trans	-89.9	169.7	176.1	37.2	-30.8	0	0	0	112.2
446	S	27.9	Very low	35.3	Very low	100 Å²	100	112.9 Å²	112.9	70%	0.699	64%	0.641	S	S	*	*			trans	66.6	167.5	170.3	7.7	0	0	0	0	114.2
447	N	32.1	Very low	35.9	Very low	132 Å²	132	113 Å²	113	71%	0.706	64%	0.639	S	S	*	*			cis	-153.5	167.7	-6.2	-124	-21.5	0	0	0	110.7
448	Q	34.4	Very low	36.5	Very low	174 Å²	174	110.3 Å²	110.3	81%	0.813	63%	0.628	S	S	*	*			trans	53.5	108.1	149.3	-66.2	167	3	0	0	120.2
449	A	42.9	Very low	36.6	Very low	94 Å²	94	108.8 Å²	108.8	78%	0.777	61%	0.611	S	S	*	*				-138.2	163.7	129	0	0	0	0	0	106.8
450	V	38.6	Very low	36.3	Very low	79 Å²	79	108.6 Å²	108.6	48%	0.479	60%	0.6	S	S	.	*			cis	-144.3	-170.2	22	-169.5	0	0	0	0	108.9	I660	V450-I660 HydrophobicContact CB-CG2 3.93Å; V450-I660 HydrophobicContact CG2-CG2 3.53Å
451	T	43	Very low	36.1	Very low	62 Å²	62	107 Å²	107	38%	0.38	59%	0.592	S	S	.	*			trans	104	160.1	152.1	91.5	0	0	0	0	116.2	D661 A664 I666	T451-D661 WeakPolarHBondContact CB-OD2 3.28Å; T451-D661 HydrophobicContact CG2-CB 3.43Å; T451-D661 VanDerWaalsContact CG2-CB 3.43Å; T451-D661 WeakPolarHBondContact CG2-OD2 3.28Å; T451-D661 PolarHBondContact OG1-OD2 2.91Å; T451-A664 VanDerWaalsContact CB-CB 3.45Å; T451-A664 HydrophobicContact CG2-CB 3.58Å; T451-A664 WeakPolarHBondContact OG1-CB 3.43Å; T451-I666 HydrophobicContact CG2-CD1 3.2Å; T451-I666 HydrophobicContact CG2-CG1 4.02Å
452	S	47.6	Very low	35.9	Very low	80 Å²	80	108.4 Å²	108.4	56%	0.559	59%	0.594	S	S	*	*			cis	-157.7	172.5	23	-166.2	0	0	0	0	112.6	A664 R717	S452-A664 WeakPolarHBondContact OG-CB 3.23Å; S452-R717 PolarHBondContact OG-NH1 2.73Å
453	R	44	Very low	35.9	Very low	153 Å²	153	107.8 Å²	107.8	58%	0.577	59%	0.591	S	S	*	*			trans	-173.7	-174.3	171.8	-138.3	-162.1	84.7	-98.5	-4.2	112.2	E707 R717	R453-E707 IonicContact CZ-OE1 2.75Å; R453-E707 IonicContact CZ-OE2 2.74Å; R453-E707 IonicContact NH1-OE1 2.71Å; R453-E707 PolarHBondContact NH1-OE1 2.87Å; R453-E707 IonicContact NH1-OE2 3.42Å; R453-E707 PolarHBondContact NH1-OE2 3.44Å; R453-E707 IonicContact NH2-OE1 3.8Å; R453-E707 IonicContact NH2-OE2 3.69Å; R453-E707 PolarHBondContact NH2-OE2 3.02Å; R453-R717 WeakPolarHBondContact O-CD 3.24Å; R453-R717 PolarHBondContact O-NE 2.81Å; R453-R717 PolarHBondContact O-NH1 2.86Å
454	Q	42	Very low	36.1	Very low	46 Å²	46	105.9 Å²	105.9	22%	0.215	59%	0.587	C	S	.	*			trans	133.9	163	137.9	-65.1	-172.1	-17.8	0	0	116.1	E707 R717 L719	Q454-E707 VanDerWaalsContact CD-OE1 3.29Å; Q454-E707 HydrophobicContact CG-CB 4.48Å; Q454-E707 VanDerWaalsContact CG-CD 3.49Å; Q454-E707 WeakPolarHBondContact CG-OE1 3.38Å; Q454-E707 VanDerWaalsContact CG-OE2 3.3Å; Q454-E707 WeakPolarHBondContact CG-OE2 3.18Å; Q454-E707 PolarHBondContact NE2-O 3.3Å; Q454-E707 PolarHBondContact NE2-OE1 3.17Å; Q454-R717 VanDerWaalsContact CD-CD 3.45Å; Q454-L719 HydrophobicContact CB-CD2 3.45Å; Q454-L719 VanDerWaalsContact CB-CD2 3.45Å; Q454-L719 HydrophobicContact CG-CD2 4.31Å; Q454-L719 VanDerWaalsContact OE1-CD2 3.31Å
455	G	44.8	Very low	36.3	Very low	46 Å²	46	105.6 Å²	105.6	47%	0.474	59%	0.585	S	S	.	*			trans	177.4	165.4	-175.5	0	0	0	0	0	113.9
456	Q	48	Very low	36.5	Very low	99 Å²	99	107.3 Å²	107.3	46%	0.463	59%	0.588	S	S	.	*			trans	-103.2	-173.1	-164.5	-54.8	179.2	68.5	0	0	113.5	G704 L719	Q456-G704 PolarHBondContact OE1-O 3.32Å; Q456-L719 HydrophobicContact CG-CD1 4.45Å
457	T	37.9	Very low	36.6	Very low	87 Å²	87	108.1 Å²	108.1	53%	0.534	59%	0.593	S	S	.	*			cis	-163.7	-174.9	13.4	-21.2	0	0	0	0	111.4	M516	T457-M516 HydrophobicContact CG2-CE 4.41Å
458	V	38.8	Very low	36.5	Very low	104 Å²	104	106.5 Å²	106.5	63%	0.63	59%	0.589	S	S	*	*			trans	85.3	142.6	166.1	-174.2	0	0	0	0	118.1
459	Q	29.4	Very low	36.2	Very low	59 Å²	59	107.8 Å²	107.8	28%	0.276	59%	0.587	S	S	.	*			trans	-77.7	-176.9	-169.2	-39.5	91.3	-86.4	0	0	113.2	Y517 V702	Q459-Y517 PolarHBondContact NE2-O 3.25Å; Q459-V702 HydrophobicContact CB-CG1 4.4Å; Q459-V702 HydrophobicContact CG-CG1 4.4Å
460	Y	26.7	Very low	35.5	Very low	139 Å²	139	108.7 Å²	108.7	55%	0.545	58%	0.584	S	S	.	*			cis	-154.1	-166.4	32.4	-119.4	-25	0	0	0	113.9	Y517 T518	Y460-Y517 PolarHBondContact OH-O 3.08Å; Y460-Y517 VanDerWaalsContact OH-O 3.05Å; Y460-T518 VanDerWaalsContact OH-CA 3.25Å; Y460-T518 WeakPolarHBondContact OH-CA 3.29Å; Y460-T518 PolarHBondContact OH-N 3.09Å; Y460-T518 PolarHBondContact OH-O 3.48Å
461	P	31.1	Very low	35	Very low	96 Å²	96	113.5 Å²	113.5	62%	0.623	60%	0.598	S	S	*	*			trans	-124	-177	-145.5	47.2	-31.3	0	0	0	116.6
462	I	27.2	Very low	34.3	Very low	141 Å²	141	118 Å²	118	72%	0.723	62%	0.615	S	S	*	*			trans	72.1	100.8	162.3	-68.5	171.1	0	0	0	115.3
463	H	30.1	Very low	33.4	Very low	143 Å²	143	121.6 Å²	121.6	66%	0.662	63%	0.627	S	S	*	*			trans	57.4	119.2	136.9	-68.2	-78.3	0	0	0	117.8
464	D	33.9	Very low	32.8	Very low	128 Å²	128	119.7 Å²	119.7	68%	0.684	64%	0.637	S	S	*	*				61.8	129.4	89.9	-53.1	-13.9	0	0	0	110.9
465	L	33.4	Very low	32.5	Very low	153 Å²	153	121.8 Å²	121.8	80%	0.801	66%	0.655	S	S	*	*				-149.9	151.3	55.8	-79.9	162	0	0	0	113.5
466	L	33.3	Very low	31.9	Very low	138 Å²	138	123 Å²	123	72%	0.723	66%	0.656	S	S	*	*			trans	54	91.6	154.7	-85.8	64.6	0	0	0	117	T468	L466-T468 PolarHBondContact O-N 3.14Å
467	S	29	Very low	31.2	Very low	117 Å²	117	125.2 Å²	125.2	82%	0.818	67%	0.669	S	S	*	*			trans	-57.7	114.4	132	52.8	0	0	0	0	109.8
468	T	30.1	Very low	30.9	Very low	98 Å²	98	125 Å²	125	60%	0.601	67%	0.672	S	S	*	*			trans	-143.9	106.1	162.4	-47.2	0	0	0	0	104	L466	L466-T468 PolarHBondContact O-N 3.14Å
469	Y	27.7	Very low	30.7	Very low	201 Å²	201	126.3 Å²	126.3	79%	0.788	68%	0.675	S	S	*	*				44.1	116	98.2	-75.2	-79.3	0	0	0	110.6
470	T	29.4	Very low	30.8	Very low	114 Å²	114	130 Å²	130	70%	0.699	70%	0.696	S	S	*	*			cis	-157	170.6	38.8	43.2	0	0	0	0	113.7
471	F	28.2	Very low	31.2	Very low	179 Å²	179	131.5 Å²	131.5	79%	0.785	71%	0.709	S	S	*	*			trans	13.2	148.8	138.7	-58.1	-70.6	0	0	0	120.1
472	Q	28.9	Very low	31.1	Very low	158 Å²	158	137.7 Å²	137.7	74%	0.738	72%	0.72	S	S	*	*			cis	-169.4	172.7	28.3	-145	175.4	-27.1	0	0	113.7
473	L	28.2	Very low	31.2	Very low	155 Å²	155	137.1 Å²	137.1	81%	0.812	71%	0.714	S	S	*	*			trans	83.6	148.3	155.5	-63.5	163.9	0	0	0	121.1
474	S	31.2	Very low	31.3	Very low	113 Å²	113	137.6 Å²	137.6	79%	0.79	71%	0.714	S	S	*	*			trans	-129.4	-162.8	-169.6	-27.3	0	0	0	0	110
475	P	35.5	Very low	31	Very low	90 Å²	90	137.6 Å²	137.6	58%	0.584	71%	0.713	S	S	*	*			cis	-123.2	-128.6	2.7	28.9	-1.3	0	0	0	112.2
476	S	32.3	Very low	30.7	Very low	70 Å²	70	138 Å²	138	49%	0.49	71%	0.709	S	S	.	*			cis	-171.7	152.2	-1	23.3	0	0	0	0	113
477	I	32.7	Very low	30.5	Very low	146 Å²	146	138.3 Å²	138.3	75%	0.749	70%	0.702	S	S	*	*			trans	63.2	139.6	141.2	-69.5	169.9	0	0	0	120
478	S	32.7	Very low	30.7	Very low	83 Å²	83	137.7 Å²	137.7	58%	0.58	69%	0.689	S	S	*	*			cis	-171.6	175.3	-17.1	64.8	0	0	0	0	113.9
479	N	33.1	Very low	30.6	Very low	132 Å²	132	135.7 Å²	135.7	71%	0.706	68%	0.675	S	S	*	*			trans	87.5	97.9	140	-76.1	-9.4	0	0	0	125.6
480	N	31.6	Very low	30.8	Very low	135 Å²	135	131.2 Å²	131.2	72%	0.722	66%	0.664	S	S	*	*				102	146.8	100.2	-96.7	-32	0	0	0	126.6
481	Q	35.1	Very low	30.8	Very low	171 Å²	171	130.7 Å²	130.7	80%	0.799	66%	0.661	S	S	*	*			trans	80.7	82.3	151	-72.8	176.6	17.8	0	0	124.4
482	R	29.2	Very low	31.1	Very low	227 Å²	227	128.6 Å²	128.6	86%	0.857	66%	0.657	S	S	*	*				37.9	118.1	104.3	-151.7	-159.2	-131.1	-178.8	5.8	120.4
483	E	29.2	Very low	31.1	Very low	129 Å²	129	127.2 Å²	127.2	60%	0.603	65%	0.654	S	S	*	*				167.5	143.7	110.6	-90.3	-150.2	143.8	0	0	117.3
484	K	32.2	Very low	31.2	Very low	152 Å²	152	125.2 Å²	125.2	66%	0.661	64%	0.644	S	S	*	*			trans	66.5	112	139.4	-74.3	179.1	-175.4	140.3	0	124.8
485	L	27.9	Very low	31.2	Very low	129 Å²	129	125.8 Å²	125.8	68%	0.675	64%	0.639	S	S	*	*				115	131.9	110.7	-78.5	173	0	0	0	123.6
486	F	28	Very low	30.9	Very low	161 Å²	161	127.8 Å²	127.8	71%	0.706	64%	0.644	S	S	*	*			trans	86	142	141.4	-78.2	-48.8	0	0	0	125.1
487	Y	28.3	Very low	30.9	Very low	145 Å²	145	128.4 Å²	128.4	57%	0.569	65%	0.649	S	S	*	*			trans	52.3	106.6	171.5	-71.3	-75	0	0	0	118.8	I335	I335-Y487 WeakPolarHBondContact CG2-O 3.28Å
488	N	32.4	Very low	30.8	Very low	104 Å²	104	126.1 Å²	126.1	56%	0.556	64%	0.638	S	S	*	*			cis	79	118.1	26.8	-155.9	96.5	0	0	0	115.4	R334	R334-N488 WeakPolarHBondContact CD-O 3.36Å
489	D	29.8	Very low	30.8	Very low	56 Å²	56	127.2 Å²	127.2	30%	0.299	64%	0.638	S	S	.	*			trans	161.3	126.9	143.2	-77.5	-31.9	0	0	0	108	P333 R334	P333-D489 CarbonylContact C-O 3.51Å; P333-D489 CarbonylContact O-C 3.52Å; R334-D489 HydrophobicContact CB-CB 3.99Å; R334-D489 HydrophobicContact CG-CB 4.05Å; R334-D489 IonicContact CZ-OD2 3.31Å; R334-D489 PolarHBondContact N-O 3.11Å; R334-D489 IonicContact NE-OD2 3.65Å; R334-D489 IonicContact NH1-OD2 2.72Å; R334-D489 PolarHBondContact NH1-OD2 2.94Å
490	N	30.7	Very low	30.8	Very low	106 Å²	106	123.4 Å²	123.4	57%	0.567	62%	0.617	S	S	*	*				74.9	142.1	69.9	-67.5	-40.5	0	0	0	112.8	P333	P333-N490 VanDerWaalsContact O-O 3.06Å
491	T	30.6	Very low	30.8	Very low	104 Å²	104	119.9 Å²	119.9	64%	0.638	61%	0.607	S	S	*	*			cis	-151.8	142.9	-1.2	15.8	0	0	0	0	108.1
492	I	32.6	Very low	30.7	Very low	134 Å²	134	121.4 Å²	121.4	69%	0.687	61%	0.614	S	S	*	*				62.6	151.4	94.2	-44.7	-179.1	0	0	0	114.6
493	D	30.1	Very low	31	Very low	129 Å²	129	114.1 Å²	114.1	69%	0.69	61%	0.609	S	S	*	*			trans	96.9	134.5	158.5	-66	-62.1	0	0	0	119.5
494	N	30.9	Very low	31.4	Very low	113 Å²	113	114.6 Å²	114.6	60%	0.604	62%	0.621	S	S	*	*			cis	-168.5	175.1	-29.2	-141.6	-37.1	0	0	0	111.4
495	N	30.3	Very low	31.5	Very low	125 Å²	125	113 Å²	113	67%	0.668	62%	0.624	S	S	*	*			trans	67	146.5	151.4	-69.9	-41.4	0	0	0	120.1
496	N	29.6	Very low	31.8	Very low	132 Å²	132	113.3 Å²	113.3	71%	0.706	63%	0.626	S	S	*	*			cis	-168.2	168.6	-28.9	-138.2	-37.5	0	0	0	112.5
497	S	31.8	Very low	32.1	Very low	84 Å²	84	112.4 Å²	112.4	59%	0.587	63%	0.627	S	S	*	*			trans	68.1	108.4	148	-59.4	0	0	0	0	125.1
498	N	31.2	Very low	32.5	Very low	98 Å²	98	113.1 Å²	113.1	52%	0.524	64%	0.64	S	S	.	*				45.9	173.6	118	-39.5	-25.9	0	0	0	123	T40 T41	T40-N498 HydrophobicContact CG2-CB 3.76Å; T41-N498 CarbonylContact O-C 3.59Å; T41-N498 VanDerWaalsContact O-C 3.3Å
499	N	32.9	Very low	32.7	Very low	106 Å²	106	115.7 Å²	115.7	57%	0.567	65%	0.649	S	S	*	*			cis	-167.1	133.4	10.3	-176.3	76.1	0	0	0	111.9	T41 V42	T41-N499 CarbonylContact O-C 3.3Å; T41-N499 PolarHBondContact O-N 3.11Å; V42-N499 VanDerWaalsContact CG2-O 3.27Å; V42-N499 WeakPolarHBondContact CG2-O 3.14Å
500	N	32	Very low	33	Very low	52 Å²	52	116.8 Å²	116.8	28%	0.278	66%	0.661	S	S	.	*			cis	-161.2	173	-7.1	-131.4	-55	0	0	0	114.7	N39 T40 T41	N39-N500 WeakPolarHBondContact CA-OD1 3.47Å; N39-N500 PolarHBondContact OD1-ND2 3.08Å; T40-N500 WeakPolarHBondContact CA-OD1 3.5Å; T41-N500 VanDerWaalsContact CG2-C 3.45Å; T41-N500 VanDerWaalsContact CG2-O 3.28Å; T41-N500 WeakPolarHBondContact CG2-O 3.46Å; T41-N500 VanDerWaalsContact N-CA 3.32Å; T41-N500 WeakPolarHBondContact OG1-CA 3.23Å; T41-N500 PolarHBondContact OG1-N 3.24Å; T41-N500 PolarHBondContact OG1-O 2.98Å
501	A	32.4	Very low	33.5	Very low	61 Å²	61	121.4 Å²	121.4	50%	0.504	68%	0.676	S	S	.	*			trans	81.1	120.4	158	0	0	0	0	0	126.8
502	E	33.5	Very low	34	Very low	203 Å²	203	123.3 Å²	123.3	95%	0.949	68%	0.678	S	S	*	*			trans	52.8	143.7	130.9	-58.2	-174.1	119.1	0	0	127.3
503	G	35.3	Very low	34.3	Very low	73 Å²	73	122 Å²	122	75%	0.753	67%	0.672	S	S	*	*			trans	152.9	57.8	159.9	0	0	0	0	0	124
504	T	36.8	Very low	34.6	Very low	140 Å²	140	119 Å²	119	86%	0.859	66%	0.661	S	S	*	*			trans	-3.8	150.7	154.8	44.8	0	0	0	0	123.4
505	V	34.2	Very low	34.8	Very low	119 Å²	119	117.5 Å²	117.5	72%	0.721	65%	0.652	S	S	*	*			cis	-177.4	168	-3.7	73.3	0	0	0	0	114.9
506	N	33.6	Very low	35	Very low	135 Å²	135	114.4 Å²	114.4	72%	0.722	64%	0.635	S	S	*	*			trans	86.2	163.3	155.5	-75	-10	0	0	0	125.2
507	I	35.9	Very low	35.2	Very low	142 Å²	142	114.6 Å²	114.6	73%	0.728	63%	0.627	S	S	*	*				-149.9	-176.1	-81.4	-18.7	168.4	0	0	0	112.6
508	L	35.8	Very low	35.2	Very low	159 Å²	159	114.9 Å²	114.9	83%	0.832	63%	0.625	S	S	*	*			trans	104.3	153.8	158	-59.1	-177.5	0	0	0	120.3
509	E	36	Very low	35.3	Very low	158 Å²	158	115.6 Å²	115.6	74%	0.738	64%	0.635	S	S	*	*			cis	-175.6	157.4	-33.4	-135	-65.1	-83.1	0	0	114.2
510	S	36.2	Very low	35.4	Very low	80 Å²	80	117 Å²	117	56%	0.559	65%	0.647	S	S	*	*			trans	114.8	136	134.5	79.3	0	0	0	0	127
511	K	42.3	Very low	35.5	Very low	202 Å²	202	120.3 Å²	120.3	88%	0.878	67%	0.671	S	S	*	*			trans	119.3	149.9	144.1	-67.3	-174.4	178.3	179.5	0	123.9
512	E	40.5	Very low	35.5	Very low	144 Å²	144	125.5 Å²	125.5	67%	0.673	69%	0.689	S	S	*	*			trans	-144.9	170.6	-170.2	-55.2	-179.9	109.8	0	0	116.2
513	N	39.2	Very low	35.6	Very low	108 Å²	108	123 Å²	123	58%	0.578	68%	0.675	S	S	*	*			trans	158.4	134.6	135.4	-91.3	-42.1	0	0	0	119.9	Y178	Y178-N513 WeakPolarHBondContact CE1-O 3.19Å; Y178-N513 PolarHBondContact OH-O 3.38Å
514	S	35.5	Very low	35.4	Very low	64 Å²	64	128.2 Å²	128.2	45%	0.448	68%	0.677	S	S	.	*				150.2	117	126.6	-67.3	0	0	0	0	123
515	L	35.2	Very low	35.3	Very low	82 Å²	82	127.9 Å²	127.9	43%	0.429	67%	0.666	S	S	.	*			trans	85.1	172.9	132.3	-69.3	171	0	0	0	126.8	N180	N180-L515 VanDerWaalsContact CA-CB 3.48Å; N180-L515 HydrophobicContact CB-CD1 4.49Å
516	M	34.7	Very low	35.2	Very low	60 Å²	60	129.8 Å²	129.8	30%	0.296	67%	0.666	S	S	.	*			trans	-160.6	159.1	-162.8	-48.2	164.2	-154.4	0	0	116	N181 T457 S703	N181-M516 CarbonylContact C-O 3.58Å; T457-M516 HydrophobicContact CG2-CE 4.41Å; M516-S703 WeakPolarHBondContact CE-O 3.19Å
517	Y	33.4	Very low	35.1	Very low	137 Å²	137	129.1 Å²	129.1	54%	0.537	66%	0.662	S	S	.	*			trans	-128.3	-164.4	-177.5	-117.2	-59.7	0	0	0	118.5	N180 N181 Q459 Y460	N180-Y517 WeakPolarHBondContact O-CD2 3.36Å; N180-Y517 WeakPolarHBondContact O-CE2 3.41Å; N181-Y517 HydrophobicContact CB-CE2 3.84Å; N181-Y517 WeakPolarHBondContact O-CD1 3.42Å; N181-Y517 WeakPolarHBondContact O-CD2 3.27Å; N181-Y517 WeakPolarHBondContact O-CE1 3.13Å; N181-Y517 WeakPolarHBondContact O-CE2 3.2Å; N181-Y517 VanDerWaalsContact O-CZ 3.23Å; Q459-Y517 PolarHBondContact NE2-O 3.25Å; Y460-Y517 PolarHBondContact OH-O 3.08Å; Y460-Y517 VanDerWaalsContact OH-O 3.05Å
518	T	31.9	Very low	34.8	Very low	89 Å²	89	130.7 Å²	130.7	55%	0.546	67%	0.667	S	S	.	*			trans	-116.2	169	-147.1	51.6	0	0	0	0	122.1	Y460	Y460-T518 VanDerWaalsContact OH-CA 3.25Å; Y460-T518 WeakPolarHBondContact OH-CA 3.29Å; Y460-T518 PolarHBondContact OH-N 3.09Å; Y460-T518 PolarHBondContact OH-O 3.48Å
519	P	33.1	Very low	34.6	Very low	113 Å²	113	128 Å²	128	73%	0.734	66%	0.661	S	S	*	*			trans	-111.1	-173.3	-164.5	43.5	-37.4	0	0	0	119.4
520	V	35.2	Very low	34.4	Very low	137 Å²	137	127.3 Å²	127.3	83%	0.83	66%	0.662	S	S	*	*			trans	-140	146.5	-167.9	-178	0	0	0	0	115.5
521	P	35.5	Very low	34.3	Very low	120 Å²	120	128.4 Å²	128.4	78%	0.779	67%	0.67	S	S	*	*			trans	-126.1	160.4	-178.8	42.6	-30.6	0	0	0	118.9
522	I	32.5	Very low	33.9	Very low	171 Å²	171	124.4 Å²	124.4	88%	0.877	66%	0.657	S	S	*	*			trans	-158.2	147.2	-177.4	-64.3	-174.1	0	0	0	108.3
523	K	34.4	Very low	33.5	Very low	150 Å²	150	126 Å²	126	65%	0.652	66%	0.656	S	S	*	*			cis	-146.9	-121.8	-12.3	-175.1	-146.8	161.3	-173.4	0	109.1	E525	K523-E525 VanDerWaalsContact CE-OE1 3.27Å; K523-E525 WeakPolarHBondContact CE-OE1 3.46Å; K523-E525 IonicContact NZ-OE1 3.65Å; K523-E525 PolarHBondContact NZ-OE1 3.39Å; K523-E525 IonicContact NZ-OE2 2.7Å; K523-E525 PolarHBondContact NZ-OE2 3.37Å
524	K	31.6	Very low	33.2	Very low	182 Å²	182	126.6 Å²	126.6	79%	0.791	67%	0.666	S	S	*	*			trans	-159.8	164.1	-179.7	-76.6	-166.5	177	-175	0	108.9
525	E	33.8	Very low	33.1	Very low	134 Å²	134	129.2 Å²	129.2	63%	0.626	69%	0.685	S	S	*	*				-175.2	146.2	89	-90.9	163.3	-178.5	0	0	113.6	K523	K523-E525 VanDerWaalsContact CE-OE1 3.27Å; K523-E525 WeakPolarHBondContact CE-OE1 3.46Å; K523-E525 IonicContact NZ-OE1 3.65Å; K523-E525 PolarHBondContact NZ-OE1 3.39Å; K523-E525 IonicContact NZ-OE2 2.7Å; K523-E525 PolarHBondContact NZ-OE2 3.37Å
526	H	32.3	Very low	33	Very low	158 Å²	158	130.2 Å²	130.2	73%	0.731	70%	0.698	S	S	*	*			trans	41.8	134.2	144.7	-62.3	-60.4	0	0	0	121.6
527	N	32.5	Very low	33	Very low	121 Å²	121	132.7 Å²	132.7	65%	0.647	72%	0.722	S	S	*	*			cis	-147	155.3	2.1	-82.2	-26.6	0	0	0	107.8
528	E	28.9	Very low	33.2	Very low	176 Å²	176	130.9 Å²	130.9	82%	0.822	73%	0.729	S	S	*	*				52.9	136.4	66.5	-68.7	-178	-168.9	0	0	113.9
529	S	31.5	Very low	33.4	Very low	101 Å²	101	131.3 Å²	131.3	71%	0.706	74%	0.736	S	S	*	*			cis	-174.7	156.7	-2.7	-106.8	0	0	0	0	107.5
530	L	32.6	Very low	33.5	Very low	144 Å²	144	135.5 Å²	135.5	75%	0.754	74%	0.743	S	S	*	*			cis	-133.7	179.9	2	-84.1	163.9	0	0	0	107.9
531	S	33.1	Very low	33.7	Very low	104 Å²	104	134.5 Å²	134.5	73%	0.727	74%	0.739	S	S	*	*			cis	89.5	162.2	23.1	-149	0	0	0	0	117.4
532	I	34	Very low	33.7	Very low	118 Å²	118	136.9 Å²	136.9	61%	0.605	74%	0.743	S	S	*	*			trans	74.8	144.6	176.5	-63.9	175.2	0	0	0	116.3
533	R	31.7	Very low	33.8	Very low	176 Å²	176	133.3 Å²	133.3	66%	0.664	73%	0.73	S	S	*	*			cis	-161.8	150.4	-27.4	-99.4	-179.9	-177.5	131	-3.7	109.8	D121	D121-R533 IonicContact OD1-NH1 3.45Å; D121-R533 IonicContact OD2-CZ 2.67Å; D121-R533 IonicContact OD2-NH1 3.8Å; D121-R533 PolarHBondContact OD2-NH1 2.94Å; D121-R533 IonicContact OD2-NH2 2.72Å; D121-R533 PolarHBondContact OD2-NH2 2.75Å
534	P	33.9	Very low	34.3	Very low	121 Å²	121	131.4 Å²	131.4	79%	0.786	73%	0.733	S	S	*	*			trans	-116.4	-175	168.6	40.6	-32.1	0	0	0	115.3
535	S	32.9	Very low	34.5	Very low	120 Å²	120	128.1 Å²	128.1	84%	0.839	73%	0.728	S	S	*	*			trans	84	157	-179.4	85.1	0	0	0	0	115.6
536	S	33.2	Very low	35.2	Very low	102 Å²	102	127.4 Å²	127.4	71%	0.713	73%	0.733	S	S	*	*			cis	-154.8	177.3	13	68.7	0	0	0	0	114.2
537	S	34.2	Very low	35.7	Very low	113 Å²	113	125.2 Å²	125.2	79%	0.79	73%	0.732	S	S	*	*			trans	74.5	154.7	166.9	91.7	0	0	0	0	117.1
538	S	37.8	Very low	36	Very low	98 Å²	98	124.5 Å²	124.5	69%	0.685	74%	0.737	S	S	*	*			cis	-158.2	161.9	-0.6	55.3	0	0	0	0	113
539	S	36.7	Very low	36.6	Very low	98 Å²	98	122.5 Å²	122.5	69%	0.685	74%	0.736	S	S	*	*			trans	63	157.8	155.9	70.8	0	0	0	0	121.1
540	F	36	Very low	36.9	Very low	202 Å²	202	122.3 Å²	122.3	89%	0.886	74%	0.735	S	S	*	*			cis	-161.2	159.6	-36.6	-99.3	-57.3	0	0	0	108.4
541	P	37.9	Very low	37.2	Very low	115 Å²	115	120.6 Å²	120.6	75%	0.747	73%	0.731	S	S	*	*			trans	-106.8	175.1	-166.7	41.2	-36.9	0	0	0	117.3
542	I	37	Very low	37.5	Very low	171 Å²	171	121 Å²	121	88%	0.877	73%	0.729	S	S	*	*			trans	-142.7	165.8	-176.6	-52.3	-179.4	0	0	0	111.3
543	T	35	Very low	37.7	Very low	96 Å²	96	122.2 Å²	122.2	59%	0.589	74%	0.736	S	S	*	*			trans	-128.5	150.5	-162.7	-51	0	0	0	0	114.6	Y203	Y203-T543 HydrophobicContact CE1-CG2 4.32Å; Y203-T543 PolarHBondContact OH-OG1 3.46Å
544	P	43.4	Very low	37.8	Very low	110 Å²	110	119.2 Å²	119.2	71%	0.714	74%	0.742	S	S	*	*			trans	-102.7	179.5	-173.5	40.7	-38.4	0	0	0	117.1
545	T	36.2	Very low	38	Very low	113 Å²	113	119.8 Å²	119.8	69%	0.693	74%	0.743	S	S	*	*			trans	-162	155.4	-179	50.9	0	0	0	0	113	N415	N415-T545 PolarHBondContact ND2-O 3.08Å
546	V	47.6	Very low	38.1	Very low	119 Å²	119	119.5 Å²	119.5	72%	0.721	74%	0.737	S	S	*	*			cis	-171.7	153.5	-15.5	62.4	0	0	0	0	109.8
547	P	43.4	Very low	38	Very low	112 Å²	112	120.8 Å²	120.8	73%	0.727	74%	0.744	S	S	*	*			trans	-128.4	-170.4	-169	45.3	-32.8	0	0	0	117.8
548	S	40	Very low	38.1	Very low	105 Å²	105	121 Å²	121	73%	0.734	73%	0.731	S	S	*	*			trans	-153.8	160.3	161.1	56.9	0	0	0	0	110.4
549	V	40.9	Very low	38.2	Very low	135 Å²	135	120 Å²	120	82%	0.818	72%	0.724	S	S	*	*			cis	91.3	124	11.3	-179.8	0	0	0	0	114.9
550	S	37.2	Very low	38.4	Very low	96 Å²	96	119.1 Å²	119.1	67%	0.671	71%	0.709	S	S	*	*			cis	-150.1	-140.7	-9.6	42.5	0	0	0	0	110.9
551	T	38.9	Very low	38.7	Very low	109 Å²	109	114 Å²	114	67%	0.669	70%	0.699	S	S	*	*			cis	-171.5	171.2	14.9	-23.5	0	0	0	0	112.3
552	T	40.5	Very low	38.9	Very low	113 Å²	113	115.5 Å²	115.5	69%	0.693	69%	0.693	S	S	*	*			trans	64.4	144.2	158.1	59	0	0	0	0	122
553	D	37.4	Very low	39.1	Very low	142 Å²	142	113.6 Å²	113.6	76%	0.759	69%	0.69	S	S	*	*			cis	-168.8	150.6	-17.5	-102.7	-16.3	0	0	0	115.6
554	S	34.6	Very low	39.3	Very low	113 Å²	113	116.1 Å²	116.1	79%	0.79	70%	0.7	S	S	*	*			trans	67.7	157.4	159.6	75	0	0	0	0	120
555	V	38.1	Very low	39	Very low	133 Å²	133	115.4 Å²	115.4	81%	0.806	70%	0.697	S	S	*	*			cis	-140.9	171.1	23.8	175.9	0	0	0	0	113.1
556	T	33.5	Very low	39.1	Very low	115 Å²	115	116.9 Å²	116.9	71%	0.706	70%	0.699	S	S	*	*			trans	-76.5	164.6	-168.4	39.4	0	0	0	0	119.3
557	C	31.5	Very low	38.6	Very low	128 Å²	128	118.5 Å²	118.5	87%	0.865	70%	0.699	S	S	*	*				-151.6	156.7	62.6	-70.1	0	0	0	0	116.8
558	K	36.5	Very low	38.2	Very low	119 Å²	119	122 Å²	122	52%	0.517	71%	0.705	S	S	.	*			trans	-110.4	-177.3	-167.7	-60.7	-178.2	170.5	-179.4	0	114.5	C248 Y249	C248-K558 PolarHBondContact O-NZ 3.48Å; Y249-K558 HydrophobicContact CD2-CD 4.16Å; Y249-K558 HydrophobicContact CG-CD 4.13Å
559	S	39	Very low	37.9	Very low	76 Å²	76	122.1 Å²	122.1	53%	0.531	71%	0.706	S	S	.	*			cis	-150.6	-165	13.5	62.9	0	0	0	0	110.6
560	Q	42.5	Very low	37.7	Very low	79 Å²	79	124.4 Å²	124.4	37%	0.369	71%	0.712	S	S	.	*			cis	-150.8	-141.1	18	-144.7	163.8	111.3	0	0	109.5	Y249 K562	Y249-Q560 VanDerWaalsContact O-CD 3.25Å; Y249-Q560 WeakPolarHBondContact O-CG 3.25Å; Y249-Q560 PolarHBondContact O-NE2 2.69Å; Q560-K562 VanDerWaalsContact OE1-CE 3.26Å
561	S	42.2	Very low	37.4	Very low	96 Å²	96	126.6 Å²	126.6	67%	0.671	72%	0.716	S	S	*	*			cis	-179.2	171	-11.1	36.1	0	0	0	0	107.9
562	K	40.8	Very low	37.1	Very low	145 Å²	145	128.1 Å²	128.1	63%	0.63	72%	0.718	S	S	*	*			cis	-173.9	137.6	-24.7	-89.8	162.7	171.4	161.7	0	106.8	C251 Q560	C251-K562 PolarHBondContact O-NZ 3.36Å; C251-K562 VanDerWaalsContact O-NZ 3.14Å; Q560-K562 VanDerWaalsContact OE1-CE 3.26Å
563	T	41.8	Very low	37.1	Very low	132 Å²	132	127.6 Å²	127.6	81%	0.81	72%	0.719	S	S	*	*			trans	-155.7	173.2	-166.1	54.3	0	0	0	0	119.3
564	N	38.5	Very low	36.9	Very low	149 Å²	149	125.2 Å²	125.2	80%	0.797	71%	0.707	S	S	*	*			trans	78.1	164.8	156.2	-76.9	25.3	0	0	0	122.1
565	S	36.9	Very low	37.3	Very low	95 Å²	95	122.9 Å²	122.9	66%	0.664	69%	0.689	S	S	*	*			cis	172	168.1	-27.3	76.6	0	0	0	0	110.1
566	I	39.5	Very low	37.4	Very low	143 Å²	143	120.7 Å²	120.7	73%	0.733	68%	0.675	S	S	*	*			cis	-173	156	-2.4	-160.4	172.4	0	0	0	114.2
567	H	37.5	Very low	37.9	Very low	154 Å²	154	117.8 Å²	117.8	71%	0.713	65%	0.654	S	S	*	*			trans	70.6	161.9	149.7	-115.7	-113.2	0	0	0	126.5
568	H	34.8	Very low	39.3	Very low	184 Å²	184	121.1 Å²	121.1	85%	0.852	65%	0.654	S	S	*	*			trans	168.1	157.6	143.3	-75.3	-16.5	0	0	0	114.1
569	S	34.3	Very low	41	Very low	108 Å²	108	119.9 Å²	119.9	76%	0.755	65%	0.646	S	S	*	*			trans	-163.7	164.1	-177	58.2	0	0	0	0	118.1
570	I	34.9	Very low	43.1	Very low	183 Å²	183	118.1 Å²	118.1	94%	0.938	63%	0.63	S	S	*	*			trans	-140.5	174.5	-178.7	-63.8	-176.1	0	0	0	112.4
571	N	31.8	Very low	45.4	Very low	142 Å²	142	120.1 Å²	120.1	76%	0.759	64%	0.639	S	S	*	*			trans	-118.4	172.4	-154.7	-169.4	10.3	0	0	0	116.2
572	I	32.8	Very low	47.9	Very low	141 Å²	141	115.6 Å²	115.6	72%	0.723	61%	0.608	S	S	*	*			trans	140.5	127.9	146.1	-71.3	158.6	0	0	0	117.6
573	S	39.4	Very low	50.3	Low	102 Å²	102	109.3 Å²	109.3	71%	0.713	58%	0.581	S	S	*	*			trans	74.7	143.3	158	75.3	0	0	0	0	121.6
574	N	33.8	Very low	52.7	Low	92 Å²	92	107.1 Å²	107.1	49%	0.492	56%	0.561	S	S	.	*			trans	-133.6	121.2	-173.6	-90.3	-22	0	0	0	113.6	I110	I110-N574 WeakPolarHBondContact CA-OD1 3.33Å; I110-N574 WeakPolarHBondContact CB-OD1 3.07Å; I110-N574 VanDerWaalsContact CG1-OD1 3.24Å; I110-N574 WeakPolarHBondContact CG1-OD1 3.48Å; I110-N574 PolarHBondContact N-OD1 2.72Å
575	P	44	Very low	55.3	Low	65 Å²	65	100 Å²	100	42%	0.422	52%	0.523	S	S	.	.			trans	-87.5	133.9	162.9	32.7	-30.8	0	0	0	111.7	N109 H577	N109-P575 WeakPolarHBondContact ND2-CG 3.3Å; P575-H577 PolarHBondContact O-CD2 2.07Å; P575-H577 VanDerWaalsContact O-CD2 3.29Å; P575-H577 PolarHBondContact O-N 2.74Å
576	V	39.7	Very low	58	Low	86 Å²	86	95.5 Å²	95.5	52%	0.521	49%	0.492	S	S	.	.			trans	-70.3	97.4	176.9	-176.4	0	0	0	0	110.4	F112 K578	F112-V576 HydrophobicContact CD1-CG1 3.6Å; F112-V576 HydrophobicContact CD2-CG1 3.89Å; F112-V576 HydrophobicContact CE1-CG1 3.36Å; F112-V576 HydrophobicContact CE2-CG1 3.67Å; F112-V576 HydrophobicContact CG-CG1 3.86Å; F112-V576 HydrophobicContact CZ-CG1 3.4Å; F112-V576 VanDerWaalsContact CZ-CG1 3.4Å; V576-K578 PolarHBondContact O-N 3.31Å
577	H	44.4	Very low	60.4	Low	55 Å²	55	88.9 Å²	88.9	26%	0.255	46%	0.458	S	S	.	.			trans	-72.8	122	-179.5	-81.6	-99.7	0	0	0	112.7	N109 F112 P575 R579 P625 T626	N109-H577 PolarHBondContact ND2-CD2 3.42Å; N109-H577 VanDerWaalsContact ND2-CD2 3.3Å; N109-H577 PolarHBondContact ND2-NE2 3.25Å; F112-H577 WeakPolarHBondContact CE2-O 3.46Å; F112-H577 WeakPolarHBondContact CZ-O 3.43Å; P575-H577 PolarHBondContact O-CD2 2.07Å; P575-H577 VanDerWaalsContact O-CD2 3.29Å; P575-H577 PolarHBondContact O-N 2.74Å; H577-R579 PolarHBondContact O-N 3.3Å; H577-P625 VanDerWaalsContact CE1-CB 3.47Å; H577-P625 WeakPolarHBondContact CE1-CB 3.38Å; H577-P625 VanDerWaalsContact CE1-CG 3.5Å; H577-P625 WeakPolarHBondContact CE1-CG 3Å; H577-P625 VanDerWaalsContact ND1-CG 3.3Å; H577-P625 WeakPolarHBondContact ND1-CG 3.46Å; H577-T626 HydrophobicContact CB-CG2 3.43Å; H577-T626 VanDerWaalsContact CB-CG2 3.43Å; H577-T626 WeakPolarHBondContact CD2-CG2 3.42Å; H577-T626 VanDerWaalsContact CG-CG2 3.48Å
578	K	60.2	Low	62.8	Low	198 Å²	198	84.8 Å²	84.8	86%	0.861	44%	0.438	S	S	*	.			trans	-56.2	100.9	158.5	-65.1	175.8	-178.7	176.5	0	108.6	V576 L580	V576-K578 PolarHBondContact O-N 3.31Å; K578-L580 PolarHBondContact O-N 3.07Å
579	R	72	Confident	65.5	Low	93 Å²	93	76 Å²	76	35%	0.351	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-59.6	130.8	180	-66.2	-175.7	-176.1	159.5	4.3	109.8	D111 H577 H581 Y682	D111-R579 IonicContact OD1-CZ 3.67Å; D111-R579 IonicContact OD1-NE 2.75Å; D111-R579 IonicContact OD1-NH2 2.69Å; D111-R579 PolarHBondContact OD1-NH2 3.27Å; D111-R579 IonicContact OD2-NH2 3.95Å; D111-R579 PolarHBondContact OD2-NH2 3.3Å; H577-R579 PolarHBondContact O-N 3.3Å; R579-H581 PolarHBondContact O-N 3.22Å; R579-Y682 VanDerWaalsContact CA-OH 3.31Å; R579-Y682 WeakPolarHBondContact CA-OH 3.02Å; R579-Y682 HydrophobicContact CB-CE1 4.32Å
580	L	84.4	Confident	68.2	Low	38 Å²	38	70.9 Å²	70.9	20%	0.199	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-54.1	135.8	-178.5	-60.1	172.1	0	0	0	110	K578 Q584 F585 L623 W679 Y682	K578-L580 PolarHBondContact O-N 3.07Å; L580-Q584 HydrophobicContact CB-CB 4.49Å; L580-Q584 HydrophobicContact CD2-CG 3.88Å; L580-F585 HydrophobicContact CB-CB 4.27Å; L580-F585 HydrophobicContact CD1-CD2 4.31Å; L580-L623 HydrophobicContact CD1-CD2 4.13Å; L580-W679 WeakPolarHBondContact O-CH2 3.45Å; L580-Y682 HydrophobicContact CB-CE1 3.87Å; L580-Y682 PolarHBondContact N-OH 3.17Å
581	H	90.3	Very high	70.6	Confident	121 Å²	121	65.6 Å²	65.6	56%	0.56	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-74.6	154.3	170	-160.2	-152.7	0	0	0	109.7	R579 L583 Q584 F585 Y700	R579-H581 PolarHBondContact O-N 3.22Å; H581-L583 PolarHBondContact O-N 3.29Å; H581-L583 VanDerWaalsContact O-N 3.11Å; H581-Q584 WeakPolarHBondContact O-CA 3.42Å; H581-Q584 WeakPolarHBondContact O-CB 3.47Å; H581-Q584 PolarHBondContact O-N 3.13Å; H581-F585 WeakPolarHBondContact O-CB 3.38Å; H581-F585 PolarHBondContact O-N 2.95Å; H581-Y700 AromaticContact CE1-CE1 3.5Å; H581-Y700 VanDerWaalsContact CE1-CE1 3.5Å; H581-Y700 WeakPolarHBondContact CE1-CE1 3.3Å; H581-Y700 AromaticContact CE1-CZ 3.75Å; H581-Y700 PolarHBondContact CE1-OH 2.9Å; H581-Y700 AromaticContact ND1-CE1 3.71Å; H581-Y700 AromaticContact ND1-CZ 3.86Å; H581-Y700 PolarHBondContact ND1-OH 3.01Å; H581-Y700 VanDerWaalsContact ND1-OH 3.11Å; H581-Y700 PolarHBondContact NE2-OH 3.38Å
582	L	93.4	Very high	73	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-53.7	-39	-172.9	173.6	65.4	0	0	0	112.8	F585 I586 W679 V693 L697 Y700	L582-F585 WeakPolarHBondContact O-CB 3.34Å; L582-F585 PolarHBondContact O-N 3.3Å; L582-I586 HydrophobicContact CD1-CD1 3.86Å; L582-I586 HydrophobicContact CD1-CG1 4.21Å; L582-I586 HydrophobicContact CG-CD1 3.96Å; L582-I586 WeakPolarHBondContact O-CB 3.31Å; L582-I586 VanDerWaalsContact O-CG1 3.31Å; L582-I586 WeakPolarHBondContact O-CG1 3.33Å; L582-I586 PolarHBondContact O-N 3.41Å; L582-W679 HydrophobicContact CB-CH2 3.87Å; L582-W679 HydrophobicContact CB-CZ2 3.76Å; L582-W679 HydrophobicContact CB-CZ3 4.28Å; L582-W679 HydrophobicContact CD1-CD2 3.67Å; L582-W679 HydrophobicContact CD1-CE3 3.96Å; L582-W679 HydrophobicContact CD1-CG 3.92Å; L582-W679 HydrophobicContact CD1-CZ2 4.44Å; L582-W679 HydrophobicContact CD1-CZ3 4.46Å; L582-W679 VanDerWaalsContact N-CH2 3.34Å; L582-V693 HydrophobicContact CD1-CG1 4.18Å; L582-V693 HydrophobicContact CD2-CG1 3.96Å; L582-L697 HydrophobicContact CD2-CD2 3.89Å; L582-L697 HydrophobicContact CD2-CG 4.06Å; L582-L697 HydrophobicContact CG-CD2 4.33Å; L582-Y700 HydrophobicContact CB-CE2 4.37Å; L582-Y700 WeakPolarHBondContact CB-OH 3.35Å; L582-Y700 HydrophobicContact CD2-CE2 4.43Å; L582-Y700 HydrophobicContact CG-CE2 4.49Å; L582-Y700 PolarHBondContact N-OH 3.18Å
583	L	92.7	Very high	75.2	Confident	13 Å²	13	53.6 Å²	53.6	7%	0.068	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-42.5	175.6	-165.2	66.5	0	0	0	113	H581 F585 I586 S587 Y700 K705 L706 F718	H581-L583 PolarHBondContact O-N 3.29Å; H581-L583 VanDerWaalsContact O-N 3.11Å; L583-F585 VanDerWaalsContact C-N 3.32Å; L583-I586 PolarHBondContact O-N 3.44Å; L583-S587 WeakPolarHBondContact O-CB 3.5Å; L583-S587 PolarHBondContact O-N 2.76Å; L583-Y700 HydrophobicContact CB-CD2 4.32Å; L583-Y700 HydrophobicContact CB-CE1 4.07Å; L583-Y700 HydrophobicContact CB-CE2 3.76Å; L583-Y700 HydrophobicContact CD1-CD2 4.17Å; L583-Y700 HydrophobicContact CD1-CE2 4.33Å; L583-Y700 HydrophobicContact CD2-CD1 4.41Å; L583-Y700 PolarHBondContact N-OH 3.32Å; L583-Y700 VanDerWaalsContact N-OH 3.12Å; L583-K705 HydrophobicContact CD2-CB 3.65Å; L583-K705 HydrophobicContact CD2-CD 4.14Å; L583-K705 HydrophobicContact CD2-CG 4.48Å; L583-L706 HydrophobicContact CD1-CD1 3.97Å; L583-F718 HydrophobicContact CD1-CD1 3.77Å; L583-F718 HydrophobicContact CD1-CE1 3.42Å; L583-F718 VanDerWaalsContact CD1-CE1 3.42Å; L583-F718 HydrophobicContact CD1-CZ 4.35Å; L583-F718 HydrophobicContact CD2-CD1 4.46Å; L583-F718 HydrophobicContact CG-CD1 4.14Å; L583-F718 HydrophobicContact CG-CE1 3.76Å
584	Q	91.5	Very high	76.7	Confident	86 Å²	86	49.2 Å²	49.2	40%	0.402	24%	0.239	S	C	.	.	H	α-helix	trans	-67	-36.7	177.1	-164.6	70.5	61.4	0	0	111.6	L580 H581 S587 K588	L580-Q584 HydrophobicContact CB-CB 4.49Å; L580-Q584 HydrophobicContact CD2-CG 3.88Å; H581-Q584 WeakPolarHBondContact O-CA 3.42Å; H581-Q584 WeakPolarHBondContact O-CB 3.47Å; H581-Q584 PolarHBondContact O-N 3.13Å; Q584-S587 PolarHBondContact O-N 3.45Å; Q584-K588 WeakPolarHBondContact O-CB 3.48Å; Q584-K588 PolarHBondContact O-N 3.09Å
585	F	92.6	Very high	78	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-42.9	175.5	-179.1	-95	0	0	0	111.6	L580 H581 L582 L583 K588 L589 L623 L675 L678 W679 Y682	L580-F585 HydrophobicContact CB-CB 4.27Å; L580-F585 HydrophobicContact CD1-CD2 4.31Å; H581-F585 WeakPolarHBondContact O-CB 3.38Å; H581-F585 PolarHBondContact O-N 2.95Å; L582-F585 WeakPolarHBondContact O-CB 3.34Å; L582-F585 PolarHBondContact O-N 3.3Å; L583-F585 VanDerWaalsContact C-N 3.32Å; F585-K588 PolarHBondContact O-N 3.49Å; F585-L589 HydrophobicContact CD1-CD1 3.86Å; F585-L589 HydrophobicContact CE1-CD1 3.57Å; F585-L589 HydrophobicContact CE1-CG 4.49Å; F585-L589 HydrophobicContact CZ-CD1 4.27Å; F585-L589 WeakPolarHBondContact O-CG 3.49Å; F585-L589 PolarHBondContact O-N 2.81Å; F585-L623 HydrophobicContact CD2-CD2 3.84Å; F585-L623 HydrophobicContact CE2-CB 4.34Å; F585-L623 HydrophobicContact CE2-CD1 3.93Å; F585-L623 HydrophobicContact CE2-CD2 3.91Å; F585-L623 HydrophobicContact CE2-CG 4.3Å; F585-L623 HydrophobicContact CZ-CD1 4.24Å; F585-L675 HydrophobicContact CE1-CD1 4.26Å; F585-L678 HydrophobicContact CE1-CD2 4.31Å; F585-L678 HydrophobicContact CE1-CG 4.48Å; F585-L678 HydrophobicContact CZ-CD2 4.03Å; F585-L678 HydrophobicContact CZ-CG 3.94Å; F585-W679 HydrophobicContact CB-CE3 4.05Å; F585-W679 HydrophobicContact CB-CZ3 3.77Å; F585-W679 AromaticContact CD1-CE3 3.63Å; F585-W679 HydrophobicContact CD1-CE3 3.63Å; F585-W679 HydrophobicContact CD1-CZ3 4.24Å; F585-W679 HydrophobicContact CD2-CE3 4.07Å; F585-W679 HydrophobicContact CD2-CZ3 4.19Å; F585-W679 HydrophobicContact CE1-CB 4.17Å; F585-W679 HydrophobicContact CE1-CE3 4.02Å; F585-W679 HydrophobicContact CE2-CE3 4.43Å; F585-W679 AromaticContact CG-CE3 3.65Å; F585-W679 HydrophobicContact CG-CE3 3.65Å; F585-W679 AromaticContact CG-CZ3 3.83Å; F585-W679 HydrophobicContact CG-CZ3 3.83Å; F585-W679 HydrophobicContact CZ-CE3 4.39Å; F585-Y682 AromaticContact CD2-CD1 3.87Å; F585-Y682 HydrophobicContact CD2-CD1 3.87Å; F585-Y682 HydrophobicContact CD2-CE1 4.31Å; F585-Y682 AromaticContact CD2-CG 4Å; F585-Y682 HydrophobicContact CD2-CG 4Å; F585-Y682 AromaticContact CE2-CD1 4Å; F585-Y682 HydrophobicContact CE2-CD1 4Å; F585-Y682 HydrophobicContact CE2-CD2 4.17Å; F585-Y682 AromaticContact CE2-CG 3.65Å; F585-Y682 HydrophobicContact CE2-CG 3.65Å; F585-Y682 HydrophobicContact CZ-CG 4.48Å
586	I	93.1	Very high	78.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.9	-42.3	172.9	-70.2	167.9	0	0	0	111.4	L582 L583 K588 L589 L590 V657 F667 L675 L697 F718	L582-I586 HydrophobicContact CD1-CD1 3.86Å; L582-I586 HydrophobicContact CD1-CG1 4.21Å; L582-I586 HydrophobicContact CG-CD1 3.96Å; L582-I586 WeakPolarHBondContact O-CB 3.31Å; L582-I586 VanDerWaalsContact O-CG1 3.31Å; L582-I586 WeakPolarHBondContact O-CG1 3.33Å; L582-I586 PolarHBondContact O-N 3.41Å; L583-I586 PolarHBondContact O-N 3.44Å; I586-K588 VanDerWaalsContact C-N 3.3Å; I586-K588 PolarHBondContact O-N 3.05Å; I586-L589 PolarHBondContact O-N 2.92Å; I586-L590 HydrophobicContact CG2-CD1 3.75Å; I586-L590 HydrophobicContact CG2-CG 4.36Å; I586-L590 WeakPolarHBondContact O-CB 3.47Å; I586-L590 WeakPolarHBondContact O-CG 3.31Å; I586-L590 PolarHBondContact O-N 3.37Å; I586-V657 HydrophobicContact CG2-CG1 4.26Å; I586-F667 HydrophobicContact CG2-CD2 4.25Å; I586-F667 HydrophobicContact CG2-CE1 4.33Å; I586-F667 HydrophobicContact CG2-CE2 3.82Å; I586-F667 HydrophobicContact CG2-CZ 3.85Å; I586-L675 HydrophobicContact CD1-CD2 4.44Å; I586-L675 HydrophobicContact CG1-CD1 4.48Å; I586-L697 HydrophobicContact CD1-CD2 3.75Å; I586-F718 HydrophobicContact CG2-CZ 4.22Å
587	S	91	Very high	79.4	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-57.6	-42.3	173.1	175.3	0	0	0	0	111.5	L583 Q584 L590 Q591 A723	L583-S587 WeakPolarHBondContact O-CB 3.5Å; L583-S587 PolarHBondContact O-N 2.76Å; Q584-S587 PolarHBondContact O-N 3.45Å; S587-L590 PolarHBondContact O-N 3.39Å; S587-Q591 VanDerWaalsContact O-CG 3.29Å; S587-Q591 WeakPolarHBondContact O-CG 3.35Å; S587-Q591 PolarHBondContact O-N 2.84Å; S587-Q591 PolarHBondContact O-NE2 2.86Å; S587-Q591 PolarHBondContact OG-NE2 3.37Å; S587-Q591 VanDerWaalsContact OG-NE2 3.13Å; S587-A723 WeakPolarHBondContact CB-OXT 3.18Å; S587-A723 PolarHBondContact OG-O 2.97Å; S587-A723 PolarHBondContact OG-OXT 3.3Å
588	K	88.1	Confident	79.6	Confident	68 Å²	68	50.5 Å²	50.5	30%	0.296	25%	0.254	S	S	.	.	H	α-helix	trans	-63.9	-46.1	173.9	-82.2	-74.3	163.3	-157.9	0	113	Q584 F585 I586 L590 Q591 Y592 F619 L623	Q584-K588 WeakPolarHBondContact O-CB 3.48Å; Q584-K588 PolarHBondContact O-N 3.09Å; F585-K588 PolarHBondContact O-N 3.49Å; I586-K588 VanDerWaalsContact C-N 3.3Å; I586-K588 PolarHBondContact O-N 3.05Å; K588-L590 VanDerWaalsContact C-N 3.27Å; K588-L590 PolarHBondContact O-N 2.84Å; K588-Q591 VanDerWaalsContact CE-OE1 3.32Å; K588-Q591 WeakPolarHBondContact O-CB 3.39Å; K588-Q591 PolarHBondContact O-N 3.42Å; K588-Y592 PolarHBondContact O-N 3.18Å; K588-F619 HydrophobicContact CB-CE2 4.12Å; K588-F619 WeakPolarHBondContact O-CE2 3.15Å; K588-L623 HydrophobicContact CB-CD2 3.67Å
589	L	90.7	Very high	79	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.2	-43.2	173	-75.1	163.7	0	0	0	111.9	F585 I586 Q591 Y592 S593 F619 L623 V657 L675 L678	F585-L589 HydrophobicContact CD1-CD1 3.86Å; F585-L589 HydrophobicContact CE1-CD1 3.57Å; F585-L589 HydrophobicContact CE1-CG 4.49Å; F585-L589 HydrophobicContact CZ-CD1 4.27Å; F585-L589 WeakPolarHBondContact O-CG 3.49Å; F585-L589 PolarHBondContact O-N 2.81Å; I586-L589 PolarHBondContact O-N 2.92Å; L589-Q591 VanDerWaalsContact C-N 3.35Å; L589-Q591 PolarHBondContact O-N 2.9Å; L589-Y592 PolarHBondContact O-N 3.27Å; L589-S593 PolarHBondContact O-N 2.7Å; L589-S593 PolarHBondContact O-OG 3.48Å; L589-F619 HydrophobicContact CD2-CE1 3.86Å; L589-F619 HydrophobicContact CD2-CZ 3.84Å; L589-F619 HydrophobicContact CG-CZ 4.22Å; L589-L623 HydrophobicContact CD2-CD1 4.11Å; L589-V657 HydrophobicContact CD1-CG2 4.2Å; L589-L675 HydrophobicContact CD1-CD1 3.77Å; L589-L678 HydrophobicContact CD1-CD2 4.04Å; L589-L678 HydrophobicContact CD2-CD2 3.73Å; L589-L678 HydrophobicContact CG-CD2 4.49Å
590	L	90.7	Very high	77.9	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-72.4	-23.2	-179.5	-76.1	171.8	0	0	0	114.7	I586 S587 K588 S594 V657 W659 F667 F718	I586-L590 HydrophobicContact CG2-CD1 3.75Å; I586-L590 HydrophobicContact CG2-CG 4.36Å; I586-L590 WeakPolarHBondContact O-CB 3.47Å; I586-L590 WeakPolarHBondContact O-CG 3.31Å; I586-L590 PolarHBondContact O-N 3.37Å; S587-L590 PolarHBondContact O-N 3.39Å; K588-L590 VanDerWaalsContact C-N 3.27Å; K588-L590 PolarHBondContact O-N 2.84Å; L590-S594 PolarHBondContact O-N 3.12Å; L590-S594 PolarHBondContact O-OG 3.07Å; L590-V657 HydrophobicContact CD1-CG1 4.28Å; L590-V657 HydrophobicContact CD2-CB 4.18Å; L590-V657 HydrophobicContact CD2-CG1 3.82Å; L590-V657 HydrophobicContact CG-CB 4.41Å; L590-V657 HydrophobicContact CG-CG1 4.06Å; L590-W659 HydrophobicContact CB-CD2 4.46Å; L590-W659 HydrophobicContact CB-CZ2 3.72Å; L590-W659 HydrophobicContact CD1-CD2 4.44Å; L590-W659 HydrophobicContact CD1-CE3 4.47Å; L590-W659 HydrophobicContact CD1-CH2 4.06Å; L590-W659 HydrophobicContact CD1-CZ2 4.03Å; L590-W659 HydrophobicContact CD1-CZ3 4.27Å; L590-W659 HydrophobicContact CD2-CD2 4.11Å; L590-W659 HydrophobicContact CD2-CG 4.1Å; L590-W659 HydrophobicContact CG-CZ2 4.39Å; L590-W659 PolarHBondContact O-NE1 3.25Å; L590-F667 HydrophobicContact CD1-CB 3.56Å; L590-F667 HydrophobicContact CD1-CD1 3.81Å; L590-F667 HydrophobicContact CD1-CD2 4.27Å; L590-F667 HydrophobicContact CD1-CE1 4.49Å; L590-F667 HydrophobicContact CD1-CG 3.65Å; L590-F667 HydrophobicContact CD2-CB 3.89Å; L590-F667 HydrophobicContact CG-CB 4.37Å; L590-F718 HydrophobicContact CD1-CE2 3.6Å; L590-F718 HydrophobicContact CD1-CZ 3.94Å
591	Q	86.7	Confident	75.7	Confident	73 Å²	73	49 Å²	49	34%	0.341	29%	0.285	S	S	.	.	H	α-helix	trans	-65	-56.4	166.1	-70.8	159.8	29.8	0	0	108.6	S587 K588 L589 S593 S594 D595	S587-Q591 VanDerWaalsContact O-CG 3.29Å; S587-Q591 WeakPolarHBondContact O-CG 3.35Å; S587-Q591 PolarHBondContact O-N 2.84Å; S587-Q591 PolarHBondContact O-NE2 2.86Å; S587-Q591 PolarHBondContact OG-NE2 3.37Å; S587-Q591 VanDerWaalsContact OG-NE2 3.13Å; K588-Q591 VanDerWaalsContact CE-OE1 3.32Å; K588-Q591 WeakPolarHBondContact O-CB 3.39Å; K588-Q591 PolarHBondContact O-N 3.42Å; L589-Q591 VanDerWaalsContact C-N 3.35Å; L589-Q591 PolarHBondContact O-N 2.9Å; Q591-S593 VanDerWaalsContact C-N 3.34Å; Q591-S593 PolarHBondContact O-N 2.91Å; Q591-S594 WeakPolarHBondContact O-CA 3.25Å; Q591-S594 VanDerWaalsContact O-CB 3.24Å; Q591-S594 WeakPolarHBondContact O-CB 3.33Å; Q591-S594 PolarHBondContact O-N 2.93Å; Q591-D595 PolarHBondContact O-N 3.11Å
592	Y	82.4	Confident	73.4	Confident	22 Å²	22	48.5 Å²	48.5	9%	0.086	29%	0.287	C	S	.	.	H	α-helix	trans	-55.9	-41.9	176.8	177.7	-90.3	0	0	0	113.8	K588 L589 S594 D595 S596 T616 F619 L654	K588-Y592 PolarHBondContact O-N 3.18Å; L589-Y592 PolarHBondContact O-N 3.27Å; Y592-S594 VanDerWaalsContact C-N 3.28Å; Y592-S594 PolarHBondContact O-N 3.44Å; Y592-D595 PolarHBondContact O-N 2.95Å; Y592-S596 PolarHBondContact O-N 3.24Å; Y592-T616 HydrophobicContact CE2-CG2 4.05Å; Y592-T616 WeakPolarHBondContact OH-CG2 3.32Å; Y592-F619 HydrophobicContact CD1-CD1 4.26Å; Y592-F619 HydrophobicContact CD1-CE1 4.44Å; Y592-F619 HydrophobicContact CD2-CB 3.53Å; Y592-F619 AromaticContact CD2-CD1 3.7Å; Y592-F619 HydrophobicContact CD2-CD1 3.7Å; Y592-F619 HydrophobicContact CD2-CD2 4.2Å; Y592-F619 AromaticContact CD2-CG 3.5Å; Y592-F619 HydrophobicContact CD2-CG 3.5Å; Y592-F619 VanDerWaalsContact CD2-CG 3.5Å; Y592-F619 HydrophobicContact CE2-CB 4.14Å; Y592-F619 HydrophobicContact CE2-CD1 4.4Å; Y592-F619 HydrophobicContact CE2-CG 4.39Å; Y592-F619 HydrophobicContact CG-CB 4.28Å; Y592-F619 AromaticContact CG-CD1 3.63Å; Y592-F619 HydrophobicContact CG-CD1 3.63Å; Y592-F619 HydrophobicContact CG-CD2 4.19Å; Y592-F619 HydrophobicContact CG-CE1 4.02Å; Y592-F619 AromaticContact CG-CG 3.72Å; Y592-F619 HydrophobicContact CG-CG 3.72Å; Y592-F619 HydrophobicContact CG-CZ 4.45Å; Y592-L654 HydrophobicContact CD1-CB 4.07Å; Y592-L654 HydrophobicContact CD1-CD2 4.34Å; Y592-L654 HydrophobicContact CE1-CB 3.65Å; Y592-L654 HydrophobicContact CE1-CD1 3.82Å; Y592-L654 HydrophobicContact CE1-CD2 4.28Å; Y592-L654 HydrophobicContact CE1-CG 4.13Å
593	S	78.6	Confident	71	Confident	8 Å²	8	54.1 Å²	54.1	6%	0.056	32%	0.321	C	S	.	.	H	α-helix	trans	-66.6	-25.7	176.3	-53.8	0	0	0	0	113.6	L589 Q591 S596 S597 V657	L589-S593 PolarHBondContact O-N 2.7Å; L589-S593 PolarHBondContact O-OG 3.48Å; Q591-S593 VanDerWaalsContact C-N 3.34Å; Q591-S593 PolarHBondContact O-N 2.91Å; S593-S596 PolarHBondContact O-OG 3.26Å; S593-S597 WeakPolarHBondContact O-CB 2.95Å; S593-S597 PolarHBondContact O-N 3.09Å; S593-S597 PolarHBondContact O-OG 3.44Å; S593-V657 PolarHBondContact OG-O 3.4Å
594	S	69.6	Low	68.3	Low	10 Å²	10	61 Å²	61	7%	0.07	36%	0.358	C	S	.	.	H	α-helix	trans	-67.2	-47	171.7	-58.7	0	0	0	0	110.4	L590 Q591 Y592 S596 S597 T598 W659 K662	L590-S594 PolarHBondContact O-N 3.12Å; L590-S594 PolarHBondContact O-OG 3.07Å; Q591-S594 WeakPolarHBondContact O-CA 3.25Å; Q591-S594 VanDerWaalsContact O-CB 3.24Å; Q591-S594 WeakPolarHBondContact O-CB 3.33Å; Q591-S594 PolarHBondContact O-N 2.93Å; Y592-S594 VanDerWaalsContact C-N 3.28Å; Y592-S594 PolarHBondContact O-N 3.44Å; S594-S596 VanDerWaalsContact C-N 3.31Å; S594-S596 PolarHBondContact O-N 3.05Å; S594-S597 PolarHBondContact O-N 3.08Å; S594-S597 PolarHBondContact O-OG 3.24Å; S594-S597 VanDerWaalsContact O-OG 3.05Å; S594-T598 PolarHBondContact O-N 2.78Å; S594-T598 VanDerWaalsContact O-N 3.16Å; S594-T598 PolarHBondContact O-OG1 3.05Å; S594-T598 VanDerWaalsContact O-OG1 3.09Å; S594-W659 VanDerWaalsContact OG-CD1 3.32Å; S594-W659 PolarHBondContact OG-NE1 3.35Å; S594-W659 VanDerWaalsContact OG-NE1 3.15Å; S594-K662 PolarHBondContact OG-NZ 2.71Å; S594-K662 VanDerWaalsContact OG-NZ 3.17Å
595	D	62.2	Low	65.8	Low	104 Å²	104	62.8 Å²	62.8	56%	0.556	38%	0.38	S	S	*	.	H	α-helix	trans	-69.5	-32.8	-174.6	-51.6	-25.3	0	0	0	111	Q591 Y592 T598 S599	Q591-D595 PolarHBondContact O-N 3.11Å; Y592-D595 PolarHBondContact O-N 2.95Å; D595-T598 PolarHBondContact O-OG1 3.28Å; D595-T598 VanDerWaalsContact O-OG1 3.08Å; D595-S599 PolarHBondContact O-OG 3.39Å
596	S	58.6	Low	63.4	Low	40 Å²	40	68.6 Å²	68.6	28%	0.28	42%	0.416	S	S	.	.	H	α-helix	trans	-70.4	-39.8	173	74.7	0	0	0	0	113.2	Y592 S593 S594 S599	Y592-S596 PolarHBondContact O-N 3.24Å; S593-S596 PolarHBondContact O-OG 3.26Å; S594-S596 VanDerWaalsContact C-N 3.31Å; S594-S596 PolarHBondContact O-N 3.05Å; S596-S599 WeakPolarHBondContact O-CB 3.48Å; S596-S599 PolarHBondContact O-N 2.96Å
597	S	53.4	Low	61	Low	70 Å²	70	75.9 Å²	75.9	49%	0.49	45%	0.454	S	S	.	.	H	α-helix	trans	-76.7	-24.9	-176.8	54.7	0	0	0	0	114.3	S593 S594 S599 S600	S593-S597 WeakPolarHBondContact O-CB 2.95Å; S593-S597 PolarHBondContact O-N 3.09Å; S593-S597 PolarHBondContact O-OG 3.44Å; S594-S597 PolarHBondContact O-N 3.08Å; S594-S597 PolarHBondContact O-OG 3.24Å; S594-S597 VanDerWaalsContact O-OG 3.05Å; S597-S599 PolarHBondContact O-N 2.84Å; S597-S600 PolarHBondContact O-N 3.08Å; S597-S600 PolarHBondContact O-OG 3.16Å
598	T	50.6	Low	58.2	Low	111 Å²	111	80.1 Å²	80.1	68%	0.681	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-11.3	168.9	34.9	0	0	0	0	113.9	S594 D595	S594-T598 PolarHBondContact O-N 2.78Å; S594-T598 VanDerWaalsContact O-N 3.16Å; S594-T598 PolarHBondContact O-OG1 3.05Å; S594-T598 VanDerWaalsContact O-OG1 3.09Å; D595-T598 PolarHBondContact O-OG1 3.28Å; D595-T598 VanDerWaalsContact O-OG1 3.08Å
599	S	47.2	Very low	55.9	Low	96 Å²	96	82.5 Å²	82.5	67%	0.671	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-16.6	179.9	-59	0	0	0	0	114.2	D595 S596 S597	D595-S599 PolarHBondContact O-OG 3.39Å; S596-S599 WeakPolarHBondContact O-CB 3.48Å; S596-S599 PolarHBondContact O-N 2.96Å; S597-S599 PolarHBondContact O-N 2.84Å
600	S	49.2	Very low	53.6	Low	101 Å²	101	87.3 Å²	87.3	71%	0.706	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	6.2	-161.3	37.5	0	0	0	0	117.6	S597	S597-S600 PolarHBondContact O-N 3.08Å; S597-S600 PolarHBondContact O-OG 3.16Å
601	S	37.9	Very low	51.3	Low	100 Å²	100	90.4 Å²	90.4	70%	0.699	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	6.5	-171.4	54.2	0	0	0	0	116.7
602	L	41.5	Very low	49.7	Very low	112 Å²	112	89.2 Å²	89.2	59%	0.586	56%	0.558	S	S	*	*	S	Bend	trans	-133.8	75.7	-176.7	-77.1	172	0	0	0	115.4	R100	R100-L602 PolarHBondContact NH1-O 2.72Å
603	T	42.9	Very low	48.4	Very low	119 Å²	119	90.5 Å²	90.5	73%	0.73	57%	0.57	S	S	*	*			trans	60.9	128.6	146.1	61.6	0	0	0	0	121.1
604	N	37	Very low	47.5	Very low	158 Å²	158	90.5 Å²	90.5	85%	0.845	57%	0.57	S	S	*	*			trans	-24.2	131	165	-53.7	-12.8	0	0	0	117.7
605	S	38.3	Very low	47.4	Very low	123 Å²	123	93.2 Å²	93.2	86%	0.86	59%	0.589	S	S	*	*				-171.4	161.2	125.4	-81.8	0	0	0	0	111.5
606	T	41.7	Very low	47.7	Very low	123 Å²	123	88.3 Å²	88.3	76%	0.755	56%	0.563	S	S	*	*			trans	-71.9	160.1	-169.2	40.6	0	0	0	0	115.4
607	N	42.2	Very low	48.1	Very low	152 Å²	152	87.2 Å²	87.2	81%	0.813	56%	0.555	S	S	*	*			trans	74.6	134.2	174.4	-49.1	-16.4	0	0	0	116.7
608	S	33.7	Very low	49.1	Very low	92 Å²	92	86.1 Å²	86.1	64%	0.643	55%	0.546	S	S	*	.			cis	-170.3	124	-35.2	37	0	0	0	0	110.2	S610	S608-S610 PolarHBondContact O-N 2.8Å
609	S	39.9	Very low	50.3	Low	119 Å²	119	81.6 Å²	81.6	83%	0.832	52%	0.517	S	S	*	.	S	Bend	trans	59.1	-25.5	154.1	60.9	0	0	0	0	124.5	M611	S609-M611 PolarHBondContact O-N 2.73Å
610	S	41.4	Very low	51.6	Low	100 Å²	100	77.3 Å²	77.3	70%	0.699	49%	0.486	S	S	*	.	S	Bend	trans	-85.8	-3.8	-159.1	60.3	0	0	0	0	119.1	S608	S608-S610 PolarHBondContact O-N 2.8Å
611	M	43	Very low	52.7	Low	66 Å²	66	73.2 Å²	73.2	33%	0.325	46%	0.458	S	S	.	.	S	Bend	trans	-121.4	-30	-145.6	-177.5	-92	142.7	0	0	116.5	I102 N103 S609 S614	I102-M611 HydrophobicContact CB-CE 4.27Å; I102-M611 HydrophobicContact CD1-CE 4.1Å; I102-M611 HydrophobicContact CG1-CE 3.86Å; I102-M611 HydrophobicContact CG2-CE 3.75Å; I102-M611 HydrophobicContact CG2-CG 4.09Å; I102-M611 HydrophobicContact CG2-SD 3.97Å; I102-M611 VanDerWaalsContact O-CG 3.23Å; I102-M611 WeakPolarHBondContact O-CG 2.96Å; N103-M611 HydrophobicContact CB-CE 4.14Å; S609-M611 PolarHBondContact O-N 2.73Å; M611-S614 PolarHBondContact O-OG 2.96Å; M611-S614 VanDerWaalsContact O-OG 3.05Å
612	S	53.2	Low	54.6	Low	48 Å²	48	70.7 Å²	70.7	34%	0.336	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-3.6	-176.1	40.4	0	0	0	0	114.9	S614 T616 P649	S612-S614 PolarHBondContact O-N 2.7Å; S612-T616 WeakPolarHBondContact O-CG2 3.46Å; S612-T616 PolarHBondContact O-N 3.35Å; S612-P649 WeakPolarHBondContact OG-CB 3.44Å; S612-P649 WeakPolarHBondContact OG-CG 3.24Å
613	S	54.3	Low	56.2	Low	48 Å²	48	65.4 Å²	65.4	34%	0.336	41%	0.412	S	S	.	.	H	α-helix	trans	-62.6	-20.5	174	44.8	0	0	0	0	114.2	T616 S617	S613-T616 WeakPolarHBondContact CA-OG1 3.38Å; S613-T616 PolarHBondContact O-OG1 3.31Å; S613-S617 VanDerWaalsContact O-CB 3.28Å; S613-S617 WeakPolarHBondContact O-CB 3.47Å; S613-S617 PolarHBondContact O-N 3.25Å; S613-S617 PolarHBondContact O-OG 3.24Å
614	S	60.1	Low	57.7	Low	8 Å²	8	60.3 Å²	60.3	6%	0.056	38%	0.38	C	S	.	.	H	α-helix	trans	-60.7	-60.1	175.8	49.2	0	0	0	0	112.7	Q104 M611 S612 T616 S617 T618	Q104-S614 VanDerWaalsContact CB-CB 3.45Å; Q104-S614 WeakPolarHBondContact O-CB 3.29Å; M611-S614 PolarHBondContact O-OG 2.96Å; M611-S614 VanDerWaalsContact O-OG 3.05Å; S612-S614 PolarHBondContact O-N 2.7Å; S614-T616 VanDerWaalsContact C-N 3.28Å; S614-T616 PolarHBondContact O-N 2.89Å; S614-S617 PolarHBondContact O-OG 3.15Å; S614-T618 WeakPolarHBondContact O-CG2 3.44Å; S614-T618 PolarHBondContact O-N 2.84Å; S614-T618 PolarHBondContact O-OG1 3.2Å
615	S	67	Low	58.8	Low	67 Å²	67	53.4 Å²	53.4	47%	0.469	34%	0.344	S	S	.	.	H	α-helix	trans	-67.7	-29.8	179.1	-55.2	0	0	0	0	111.8	T618 F619	S615-T618 WeakPolarHBondContact CA-OG1 3.24Å; S615-T618 PolarHBondContact O-OG1 3.38Å; S615-T618 VanDerWaalsContact O-OG1 3.14Å; S615-F619 WeakPolarHBondContact O-CB 3.2Å; S615-F619 PolarHBondContact O-N 3.28Å
616	T	68.2	Low	59.4	Low	1 Å²	1	48.2 Å²	48.2	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-78.4	-42.1	-178.8	68.2	0	0	0	0	112.4	Y592 S612 S613 S614 F619 I620 F647 P649 L654	Y592-T616 HydrophobicContact CE2-CG2 4.05Å; Y592-T616 WeakPolarHBondContact OH-CG2 3.32Å; S612-T616 WeakPolarHBondContact O-CG2 3.46Å; S612-T616 PolarHBondContact O-N 3.35Å; S613-T616 WeakPolarHBondContact CA-OG1 3.38Å; S613-T616 PolarHBondContact O-OG1 3.31Å; S614-T616 VanDerWaalsContact C-N 3.28Å; S614-T616 PolarHBondContact O-N 2.89Å; T616-F619 PolarHBondContact O-N 2.97Å; T616-I620 WeakPolarHBondContact O-CB 3.19Å; T616-I620 WeakPolarHBondContact O-CG1 3.15Å; T616-I620 PolarHBondContact O-N 3.23Å; T616-F647 PolarHBondContact OG1-O 2.97Å; T616-P649 HydrophobicContact CG2-CB 3.82Å; T616-L654 HydrophobicContact CG2-CD1 4.03Å
617	S	68.3	Low	59.8	Low	17 Å²	17	43.3 Å²	43.3	12%	0.119	28%	0.277	C	S	.	.	H	α-helix	trans	-67.5	-45	176.9	61.1	0	0	0	0	111.7	V105 H106 S613 S614 F619 I620 S621	V105-S617 PolarHBondContact O-OG 2.95Å; H106-S617 PolarHBondContact N-OG 2.79Å; S613-S617 VanDerWaalsContact O-CB 3.28Å; S613-S617 WeakPolarHBondContact O-CB 3.47Å; S613-S617 PolarHBondContact O-N 3.25Å; S613-S617 PolarHBondContact O-OG 3.24Å; S614-S617 PolarHBondContact O-OG 3.15Å; S617-F619 VanDerWaalsContact C-N 3.3Å; S617-F619 PolarHBondContact O-N 3.2Å; S617-I620 PolarHBondContact O-N 3.27Å; S617-S621 VanDerWaalsContact O-CB 3.25Å; S617-S621 WeakPolarHBondContact O-CB 3.28Å; S617-S621 PolarHBondContact O-N 3.25Å; S617-S621 PolarHBondContact O-OG 2.94Å
618	T	72.6	Confident	59.7	Low	48 Å²	48	37.7 Å²	37.7	29%	0.294	25%	0.249	S	C	.	.	H	α-helix	trans	-59.4	-40.2	172.7	49.5	0	0	0	0	112.1	V105 H106 S614 S615 S622	V105-T618 HydrophobicContact CG1-CG2 3.96Å; H106-T618 HydrophobicContact CB-CG2 3.71Å; S614-T618 WeakPolarHBondContact O-CG2 3.44Å; S614-T618 PolarHBondContact O-N 2.84Å; S614-T618 PolarHBondContact O-OG1 3.2Å; S615-T618 WeakPolarHBondContact CA-OG1 3.24Å; S615-T618 PolarHBondContact O-OG1 3.38Å; S615-T618 VanDerWaalsContact O-OG1 3.14Å; T618-S622 WeakPolarHBondContact O-CB 3.36Å; T618-S622 PolarHBondContact O-N 3Å
619	F	77.1	Confident	60.6	Low	15 Å²	15	38.9 Å²	38.9	7%	0.066	25%	0.253	C	S	.	.	H	α-helix	trans	-71.4	-49.8	177.4	175.8	-107.6	0	0	0	113.4	K588 L589 Y592 S615 T616 S617 S621 S622 L623 L654	K588-F619 HydrophobicContact CB-CE2 4.12Å; K588-F619 WeakPolarHBondContact O-CE2 3.15Å; L589-F619 HydrophobicContact CD2-CE1 3.86Å; L589-F619 HydrophobicContact CD2-CZ 3.84Å; L589-F619 HydrophobicContact CG-CZ 4.22Å; Y592-F619 HydrophobicContact CD1-CD1 4.26Å; Y592-F619 HydrophobicContact CD1-CE1 4.44Å; Y592-F619 HydrophobicContact CD2-CB 3.53Å; Y592-F619 AromaticContact CD2-CD1 3.7Å; Y592-F619 HydrophobicContact CD2-CD1 3.7Å; Y592-F619 HydrophobicContact CD2-CD2 4.2Å; Y592-F619 AromaticContact CD2-CG 3.5Å; Y592-F619 HydrophobicContact CD2-CG 3.5Å; Y592-F619 VanDerWaalsContact CD2-CG 3.5Å; Y592-F619 HydrophobicContact CE2-CB 4.14Å; Y592-F619 HydrophobicContact CE2-CD1 4.4Å; Y592-F619 HydrophobicContact CE2-CG 4.39Å; Y592-F619 HydrophobicContact CG-CB 4.28Å; Y592-F619 AromaticContact CG-CD1 3.63Å; Y592-F619 HydrophobicContact CG-CD1 3.63Å; Y592-F619 HydrophobicContact CG-CD2 4.19Å; Y592-F619 HydrophobicContact CG-CE1 4.02Å; Y592-F619 AromaticContact CG-CG 3.72Å; Y592-F619 HydrophobicContact CG-CG 3.72Å; Y592-F619 HydrophobicContact CG-CZ 4.45Å; S615-F619 WeakPolarHBondContact O-CB 3.2Å; S615-F619 PolarHBondContact O-N 3.28Å; T616-F619 PolarHBondContact O-N 2.97Å; S617-F619 VanDerWaalsContact C-N 3.3Å; S617-F619 PolarHBondContact O-N 3.2Å; F619-S621 VanDerWaalsContact C-N 3.25Å; F619-S621 PolarHBondContact O-N 3.25Å; F619-S622 CarbonylContact O-C 3.59Å; F619-S622 WeakPolarHBondContact O-CA 3.16Å; F619-S622 WeakPolarHBondContact O-CB 3.37Å; F619-S622 PolarHBondContact O-N 2.93Å; F619-S622 PolarHBondContact O-OG 2.86Å; F619-L623 HydrophobicContact CD1-CD1 4.4Å; F619-L623 HydrophobicContact CE1-CD1 3.46Å; F619-L623 VanDerWaalsContact CE1-CD1 3.46Å; F619-L623 HydrophobicContact CE1-CG 3.85Å; F619-L623 HydrophobicContact CE2-CD1 4.39Å; F619-L623 HydrophobicContact CE2-CD2 4.01Å; F619-L623 HydrophobicContact CE2-CG 3.94Å; F619-L623 HydrophobicContact CZ-CD1 3.45Å; F619-L623 VanDerWaalsContact CZ-CD1 3.45Å; F619-L623 HydrophobicContact CZ-CD2 3.72Å; F619-L623 HydrophobicContact CZ-CG 3.49Å; F619-L623 VanDerWaalsContact CZ-CG 3.49Å; F619-L623 PolarHBondContact O-N 3.47Å; F619-L654 HydrophobicContact CD1-CD2 3.6Å; F619-L654 HydrophobicContact CE1-CD2 3.58Å
620	I	74.7	Confident	60.9	Low	7 Å²	7	37.1 Å²	37.1	4%	0.036	24%	0.241	C	C	.	.	H	α-helix	trans	-53.2	-48.1	174.5	-75.8	-64.1	0	0	0	108.6	T616 S617 S622 L623 F624 L646 F647 L654	T616-I620 WeakPolarHBondContact O-CB 3.19Å; T616-I620 WeakPolarHBondContact O-CG1 3.15Å; T616-I620 PolarHBondContact O-N 3.23Å; S617-I620 PolarHBondContact O-N 3.27Å; I620-S622 PolarHBondContact O-N 3.2Å; I620-L623 WeakPolarHBondContact O-CB 3.48Å; I620-L623 PolarHBondContact O-N 3.37Å; I620-L623 VanDerWaalsContact O-N 3.11Å; I620-F624 HydrophobicContact CG2-CD2 4.16Å; I620-F624 WeakPolarHBondContact O-CB 3.35Å; I620-F624 VanDerWaalsContact O-CD2 3.29Å; I620-F624 WeakPolarHBondContact O-CD2 3.1Å; I620-F624 PolarHBondContact O-N 2.9Å; I620-L646 HydrophobicContact CD1-CB 3.94Å; I620-L646 HydrophobicContact CD1-CD1 4.34Å; I620-F647 HydrophobicContact CG2-CD1 4.46Å; I620-F647 HydrophobicContact CG2-CE1 3.97Å; I620-L654 HydrophobicContact CD1-CD2 3.93Å
621	S	72.2	Confident	61.1	Low	15 Å²	15	33.3 Å²	33.3	11%	0.105	21%	0.214	C	C	.	.	H	α-helix	trans	-76.4	-5.1	177.2	-58.9	0	0	0	0	114.8	D107 S617 F619 F624 P625	D107-S621 WeakPolarHBondContact CB-OG 3.42Å; D107-S621 VanDerWaalsContact OD2-CB 3.28Å; D107-S621 WeakPolarHBondContact OD2-CB 3.37Å; S617-S621 VanDerWaalsContact O-CB 3.25Å; S617-S621 WeakPolarHBondContact O-CB 3.28Å; S617-S621 PolarHBondContact O-N 3.25Å; S617-S621 PolarHBondContact O-OG 2.94Å; F619-S621 VanDerWaalsContact C-N 3.25Å; F619-S621 PolarHBondContact O-N 3.25Å; S621-F624 CarbonylContact O-C 3.53Å; S621-P625 WeakPolarHBondContact O-CA 3.14Å
622	S	77.1	Confident	61.4	Low	47 Å²	47	32 Å²	32	33%	0.329	21%	0.207	S	C	.	.	H	α-helix	trans	-85.3	-30.1	164.5	84.7	0	0	0	0	112.6	T618 F619 I620	T618-S622 WeakPolarHBondContact O-CB 3.36Å; T618-S622 PolarHBondContact O-N 3Å; F619-S622 CarbonylContact O-C 3.59Å; F619-S622 WeakPolarHBondContact O-CA 3.16Å; F619-S622 WeakPolarHBondContact O-CB 3.37Å; F619-S622 PolarHBondContact O-N 2.93Å; F619-S622 PolarHBondContact O-OG 2.86Å; I620-S622 PolarHBondContact O-N 3.2Å
623	L	75.9	Confident	61.1	Low	0 Å²	0	35 Å²	35	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-76	-48.6	168.9	-67	-174.6	0	0	0	110.8	L580 F585 K588 L589 F619 I620 P625 Y682	L580-L623 HydrophobicContact CD1-CD2 4.13Å; F585-L623 HydrophobicContact CD2-CD2 3.84Å; F585-L623 HydrophobicContact CE2-CB 4.34Å; F585-L623 HydrophobicContact CE2-CD1 3.93Å; F585-L623 HydrophobicContact CE2-CD2 3.91Å; F585-L623 HydrophobicContact CE2-CG 4.3Å; F585-L623 HydrophobicContact CZ-CD1 4.24Å; K588-L623 HydrophobicContact CB-CD2 3.67Å; L589-L623 HydrophobicContact CD2-CD1 4.11Å; F619-L623 HydrophobicContact CD1-CD1 4.4Å; F619-L623 HydrophobicContact CE1-CD1 3.46Å; F619-L623 VanDerWaalsContact CE1-CD1 3.46Å; F619-L623 HydrophobicContact CE1-CG 3.85Å; F619-L623 HydrophobicContact CE2-CD1 4.39Å; F619-L623 HydrophobicContact CE2-CD2 4.01Å; F619-L623 HydrophobicContact CE2-CG 3.94Å; F619-L623 HydrophobicContact CZ-CD1 3.45Å; F619-L623 VanDerWaalsContact CZ-CD1 3.45Å; F619-L623 HydrophobicContact CZ-CD2 3.72Å; F619-L623 HydrophobicContact CZ-CG 3.49Å; F619-L623 VanDerWaalsContact CZ-CG 3.49Å; F619-L623 PolarHBondContact O-N 3.47Å; I620-L623 WeakPolarHBondContact O-CB 3.48Å; I620-L623 PolarHBondContact O-N 3.37Å; I620-L623 VanDerWaalsContact O-N 3.11Å; L623-P625 WeakPolarHBondContact O-CD 3Å; L623-Y682 WeakPolarHBondContact O-CE2 3.37Å
624	F	74.6	Confident	60.6	Low	13 Å²	13	39.5 Å²	39.5	6%	0.057	25%	0.245	C	C	.	.			trans	-108.4	64.8	-179.3	-55.9	-90.6	0	0	0	110.2	I620 S621 T626 L646 L678 Y681 Y682	I620-F624 HydrophobicContact CG2-CD2 4.16Å; I620-F624 WeakPolarHBondContact O-CB 3.35Å; I620-F624 VanDerWaalsContact O-CD2 3.29Å; I620-F624 WeakPolarHBondContact O-CD2 3.1Å; I620-F624 PolarHBondContact O-N 2.9Å; S621-F624 CarbonylContact O-C 3.53Å; F624-T626 PolarHBondContact O-N 3.42Å; F624-L646 HydrophobicContact CE2-CD1 4.2Å; F624-L646 HydrophobicContact CZ-CD1 4.38Å; F624-L678 HydrophobicContact CZ-CD1 4.5Å; F624-Y681 HydrophobicContact CD1-CD1 4.24Å; F624-Y681 HydrophobicContact CD1-CE1 4.04Å; F624-Y681 AromaticContact CE1-CD1 3.27Å; F624-Y681 HydrophobicContact CE1-CD1 3.27Å; F624-Y681 AromaticContact CE1-CE1 3.52Å; F624-Y681 HydrophobicContact CE1-CE1 3.52Å; F624-Y681 HydrophobicContact CE1-CG 4.35Å; F624-Y681 HydrophobicContact CE2-CD1 4.45Å; F624-Y681 AromaticContact CZ-CD1 3.46Å; F624-Y681 HydrophobicContact CZ-CD1 3.46Å; F624-Y681 VanDerWaalsContact CZ-CD1 3.46Å; F624-Y681 AromaticContact CZ-CE1 3.9Å; F624-Y681 HydrophobicContact CZ-CE1 3.9Å; F624-Y682 AromaticContact CD1-CD2 3.89Å; F624-Y682 HydrophobicContact CD1-CD2 3.89Å; F624-Y682 AromaticContact CE1-CD2 3.71Å; F624-Y682 HydrophobicContact CE1-CD2 3.71Å; F624-Y682 HydrophobicContact CE1-CG 4.33Å; F624-Y682 HydrophobicContact CZ-CD2 4.14Å
625	P	58.7	Low	59.8	Low	13 Å²	13	41.4 Å²	41.4	8%	0.084	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.8	174.1	30.3	-34.9	0	0	0	111.4	K108 N109 H577 S621 L623 T627	K108-P625 WeakPolarHBondContact CB-O 3.24Å; K108-P625 HydrophobicContact CD-CB 3.9Å; N109-P625 CarbonylContact C-O 3.19Å; N109-P625 WeakPolarHBondContact CA-O 3.49Å; N109-P625 PolarHBondContact N-O 2.75Å; N109-P625 PolarHBondContact ND2-O 3.05Å; N109-P625 PolarHBondContact OD1-O 3.48Å; H577-P625 VanDerWaalsContact CE1-CB 3.47Å; H577-P625 WeakPolarHBondContact CE1-CB 3.38Å; H577-P625 VanDerWaalsContact CE1-CG 3.5Å; H577-P625 WeakPolarHBondContact CE1-CG 3Å; H577-P625 VanDerWaalsContact ND1-CG 3.3Å; H577-P625 WeakPolarHBondContact ND1-CG 3.46Å; S621-P625 WeakPolarHBondContact O-CA 3.14Å; L623-P625 WeakPolarHBondContact O-CD 3Å; P625-T627 PolarHBondContact O-N 2.71Å
626	T	52.6	Low	58.8	Low	13 Å²	13	44.8 Å²	44.8	8%	0.08	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	44.2	-174.6	60.7	0	0	0	0	114.6	N109 I110 H577 F624	N109-T626 CarbonylContact O-C 3.5Å; N109-T626 WeakPolarHBondContact O-CA 3.46Å; I110-T626 WeakPolarHBondContact O-CB 3.18Å; I110-T626 WeakPolarHBondContact O-CG2 3.22Å; H577-T626 HydrophobicContact CB-CG2 3.43Å; H577-T626 VanDerWaalsContact CB-CG2 3.43Å; H577-T626 WeakPolarHBondContact CD2-CG2 3.42Å; H577-T626 VanDerWaalsContact CG-CG2 3.48Å; F624-T626 PolarHBondContact O-N 3.42Å
627	T	48.4	Very low	57.8	Low	20 Å²	20	53.2 Å²	53.2	12%	0.123	31%	0.307	C	S	.	.			trans	-138	96	161.3	48	0	0	0	0	114.2	N109 P625 S631 F632	N109-T627 CarbonylContact O-C 3.6Å; N109-T627 WeakPolarHBondContact O-CA 3.33Å; N109-T627 PolarHBondContact O-N 3.49Å; P625-T627 PolarHBondContact O-N 2.71Å; T627-S631 VanDerWaalsContact CA-OG 3.29Å; T627-S631 WeakPolarHBondContact CA-OG 3.22Å; T627-F632 VanDerWaalsContact CB-CZ 3.43Å; T627-F632 HydrophobicContact CG2-CD1 3.93Å; T627-F632 HydrophobicContact CG2-CE1 3.63Å; T627-F632 HydrophobicContact CG2-CZ 3.99Å; T627-F632 WeakPolarHBondContact OG1-CE1 2.91Å; T627-F632 WeakPolarHBondContact OG1-CZ 3.36Å
628	S	41.3	Very low	57.1	Low	34 Å²	34	55.7 Å²	55.7	24%	0.238	32%	0.316	C	S	.	.			trans	-65.8	144.8	151.5	64.1	0	0	0	0	108.4	N109 I110 S630 S631	N109-S628 PolarHBondContact O-N 2.99Å; I110-S628 VanDerWaalsContact CD1-OG 3.28Å; I110-S628 WeakPolarHBondContact CD1-OG 3.34Å; I110-S628 VanDerWaalsContact CG1-OG 3.28Å; I110-S628 WeakPolarHBondContact CG1-OG 3.32Å; S628-S630 PolarHBondContact O-N 2.83Å; S628-S631 PolarHBondContact O-N 2.97Å; S628-S631 PolarHBondContact O-OG 2.87Å
629	T	51.2	Low	55.9	Low	118 Å²	118	56.4 Å²	56.4	72%	0.724	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-56.1	-26.8	-158.2	-31.5	0	0	0	0	115.7	S631	T629-S631 VanDerWaalsContact C-N 3.3Å; T629-S631 PolarHBondContact O-N 3.37Å
630	S	46.3	Very low	54.9	Low	82 Å²	82	61.5 Å²	61.5	57%	0.573	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-63.9	-26.8	174.6	49.8	0	0	0	0	115	S628	S628-S630 PolarHBondContact O-N 2.83Å
631	S	47.1	Very low	54.2	Low	20 Å²	20	67 Å²	67	14%	0.14	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-85.3	-9.1	-170.8	61.1	0	0	0	0	114.7	T627 S628 T629 C633	T627-S631 VanDerWaalsContact CA-OG 3.29Å; T627-S631 WeakPolarHBondContact CA-OG 3.22Å; S628-S631 PolarHBondContact O-N 2.97Å; S628-S631 PolarHBondContact O-OG 2.87Å; T629-S631 VanDerWaalsContact C-N 3.3Å; T629-S631 PolarHBondContact O-N 3.37Å; S631-C633 VanDerWaalsContact C-N 3.31Å
632	F	49.3	Very low	53.8	Low	39 Å²	39	66.8 Å²	66.8	17%	0.171	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-67.9	-31.8	169.9	-69.5	-65.1	0	0	0	112.1	T627 L634 I643 Y681	T627-F632 VanDerWaalsContact CB-CZ 3.43Å; T627-F632 HydrophobicContact CG2-CD1 3.93Å; T627-F632 HydrophobicContact CG2-CE1 3.63Å; T627-F632 HydrophobicContact CG2-CZ 3.99Å; T627-F632 WeakPolarHBondContact OG1-CE1 2.91Å; T627-F632 WeakPolarHBondContact OG1-CZ 3.36Å; F632-L634 VanDerWaalsContact C-N 3.3Å; F632-L634 PolarHBondContact O-N 3.05Å; F632-I643 HydrophobicContact CB-CD1 4.06Å; F632-I643 HydrophobicContact CD1-CD1 3.85Å; F632-I643 HydrophobicContact CG-CD1 4.12Å; F632-Y681 WeakPolarHBondContact CD1-OH 3.3Å; F632-Y681 VanDerWaalsContact CE1-OH 3.25Å; F632-Y681 WeakPolarHBondContact CE1-OH 3.39Å
633	C	46.4	Very low	53.2	Low	109 Å²	109	65.9 Å²	65.9	74%	0.736	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-77.5	-4.8	-170.9	-55.6	0	0	0	0	115.3	S631	S631-C633 VanDerWaalsContact C-N 3.31Å
634	L	42.6	Very low	52.6	Low	143 Å²	143	71.1 Å²	71.1	75%	0.749	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-109.6	14.3	-176.8	-76.4	89.9	0	0	0	113.9	F632	F632-L634 VanDerWaalsContact C-N 3.3Å; F632-L634 PolarHBondContact O-N 3.05Å
635	I	44.8	Very low	52.3	Low	49 Å²	49	75 Å²	75	25%	0.251	41%	0.409	S	S	.	.	S	Bend	trans	-107.3	104.7	174.4	-56.3	173.8	0	0	0	108.8	Q637 K684	I635-Q637 PolarHBondContact O-N 3.11Å; I635-K684 HydrophobicContact CD1-CD 3.68Å; I635-K684 HydrophobicContact CD1-CG 3.95Å; I635-K684 HydrophobicContact CG1-CD 4.26Å
636	N	44.7	Very low	52.7	Low	137 Å²	137	74.5 Å²	74.5	73%	0.733	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	133.7	-175	-69.1	-58.4	0	0	0	113.4	Q638	N636-Q638 PolarHBondContact O-N 2.84Å
637	Q	48.8	Very low	53.1	Low	178 Å²	178	77.9 Å²	77.9	83%	0.832	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	41.4	159.2	-57.8	179.3	0.7	0	0	116.8	I635	I635-Q637 PolarHBondContact O-N 3.11Å
638	Q	52	Low	53.9	Low	69 Å²	69	81.2 Å²	81.2	32%	0.322	44%	0.437	S	S	.	.			trans	-114.4	137.1	144.6	-70.2	-68.3	-90.2	0	0	108.6	N636 V686	N636-Q638 PolarHBondContact O-N 2.84Å; Q638-V686 HydrophobicContact CG-CB 4.49Å; Q638-V686 HydrophobicContact CG-CG1 3.65Å
639	P	49	Very low	54.5	Low	63 Å²	63	81.1 Å²	81.1	41%	0.409	44%	0.435	S	S	.	.			trans	-70.5	150.5	-177.9	30	-35.5	0	0	0	111	E641 F642	P639-E641 HydrophobicContact CB-CB 3.99Å; P639-E641 HydrophobicContact CB-CG 4.09Å; P639-E641 HydrophobicContact CG-CB 4.04Å; P639-E641 PolarHBondContact O-N 3.45Å; P639-F642 WeakPolarHBondContact O-CB 3.43Å; P639-F642 PolarHBondContact O-N 3.09Å
640	D	54.7	Low	54.7	Low	122 Å²	122	82.2 Å²	82.2	65%	0.652	44%	0.437	S	S	*	.	H	α-helix	trans	-54.6	-26	170.1	-61.1	-67.7	0	0	0	111.8	F642 I643 L644	D640-F642 PolarHBondContact O-N 3.11Å; D640-I643 WeakPolarHBondContact O-CA 3.35Å; D640-I643 WeakPolarHBondContact O-CB 3.43Å; D640-I643 PolarHBondContact O-N 2.87Å; D640-L644 WeakPolarHBondContact O-CG 3.27Å; D640-L644 PolarHBondContact O-N 3.25Å
641	E	60.5	Low	55.5	Low	124 Å²	124	78.6 Å²	78.6	58%	0.579	41%	0.412	S	S	*	.	H	α-helix	trans	-47.4	-40.7	168	-61	-176.8	160.9	0	0	113.1	P639 I643 L644 H645	P639-E641 HydrophobicContact CB-CB 3.99Å; P639-E641 HydrophobicContact CB-CG 4.09Å; P639-E641 HydrophobicContact CG-CB 4.04Å; P639-E641 PolarHBondContact O-N 3.45Å; E641-I643 VanDerWaalsContact C-N 3.34Å; E641-I643 PolarHBondContact O-N 3.45Å; E641-L644 PolarHBondContact O-N 2.76Å; E641-H645 WeakPolarHBondContact O-CB 3.36Å; E641-H645 PolarHBondContact O-N 2.94Å; E641-H645 PolarHBondContact O-ND1 3.35Å
642	F	64.9	Low	56.5	Low	9 Å²	9	83.4 Å²	83.4	4%	0.039	43%	0.432	C	S	.	.	H	α-helix	trans	-64	-43.6	179.1	-171.1	-97.7	0	0	0	110.7	P639 D640 H645 L646 Y653 Q677 L678 Y681	P639-F642 WeakPolarHBondContact O-CB 3.43Å; P639-F642 PolarHBondContact O-N 3.09Å; D640-F642 PolarHBondContact O-N 3.11Å; F642-H645 CarbonylContact O-C 3.06Å; F642-H645 WeakPolarHBondContact O-CB 3.42Å; F642-H645 PolarHBondContact O-N 3.02Å; F642-L646 HydrophobicContact CD1-CD1 4.21Å; F642-L646 HydrophobicContact CD1-CD2 4.43Å; F642-L646 HydrophobicContact CD1-CG 4.1Å; F642-L646 HydrophobicContact CE1-CD1 3.82Å; F642-L646 HydrophobicContact CE1-CD2 3.8Å; F642-L646 HydrophobicContact CE1-CG 3.85Å; F642-L646 HydrophobicContact CZ-CD2 3.95Å; F642-L646 HydrophobicContact CZ-CG 4.49Å; F642-L646 WeakPolarHBondContact O-CG 3.45Å; F642-L646 PolarHBondContact O-N 2.67Å; F642-Y653 HydrophobicContact CD2-CE1 4.23Å; F642-Y653 AromaticContact CE2-CD1 3.87Å; F642-Y653 HydrophobicContact CE2-CD1 3.87Å; F642-Y653 AromaticContact CE2-CE1 3.49Å; F642-Y653 HydrophobicContact CE2-CE1 3.49Å; F642-Y653 VanDerWaalsContact CE2-CE1 3.49Å; F642-Y653 AromaticContact CE2-CZ 3.9Å; F642-Y653 HydrophobicContact CZ-CD1 4.25Å; F642-Y653 HydrophobicContact CZ-CE1 4.31Å; F642-Q677 HydrophobicContact CE2-CB 3.89Å; F642-Q677 HydrophobicContact CZ-CB 4.29Å; F642-L678 HydrophobicContact CZ-CD1 4.36Å; F642-Y681 HydrophobicContact CD1-CD1 4.1Å; F642-Y681 AromaticContact CD1-CD2 3.83Å; F642-Y681 HydrophobicContact CD1-CD2 3.83Å; F642-Y681 HydrophobicContact CD1-CE1 4.43Å; F642-Y681 HydrophobicContact CD1-CE2 4.16Å; F642-Y681 AromaticContact CD1-CG 3.81Å; F642-Y681 HydrophobicContact CD1-CG 3.81Å; F642-Y681 AromaticContact CE1-CD1 3.61Å; F642-Y681 HydrophobicContact CE1-CD1 3.61Å; F642-Y681 AromaticContact CE1-CD2 3.94Å; F642-Y681 HydrophobicContact CE1-CD2 3.94Å; F642-Y681 HydrophobicContact CE1-CE1 4.3Å; F642-Y681 AromaticContact CE1-CG 3.43Å; F642-Y681 HydrophobicContact CE1-CG 3.43Å; F642-Y681 VanDerWaalsContact CE1-CG 3.43Å; F642-Y681 HydrophobicContact CZ-CG 4.45Å
643	I	64.5	Low	57.4	Low	28 Å²	28	83 Å²	83	14%	0.144	43%	0.429	C	S	.	.	H	α-helix	trans	-65.5	-44.4	178.5	-58	-177.5	0	0	0	110.5	F632 D640 E641 H645 L646 F647 Y681	F632-I643 HydrophobicContact CB-CD1 4.06Å; F632-I643 HydrophobicContact CD1-CD1 3.85Å; F632-I643 HydrophobicContact CG-CD1 4.12Å; D640-I643 WeakPolarHBondContact O-CA 3.35Å; D640-I643 WeakPolarHBondContact O-CB 3.43Å; D640-I643 PolarHBondContact O-N 2.87Å; E641-I643 VanDerWaalsContact C-N 3.34Å; E641-I643 PolarHBondContact O-N 3.45Å; I643-H645 VanDerWaalsContact C-N 3.3Å; I643-H645 PolarHBondContact O-N 2.8Å; I643-L646 WeakPolarHBondContact O-CB 3.3Å; I643-L646 PolarHBondContact O-N 2.72Å; I643-F647 HydrophobicContact CG2-CD2 3.75Å; I643-F647 HydrophobicContact CG2-CE2 3.41Å; I643-F647 VanDerWaalsContact CG2-CE2 3.41Å; I643-F647 VanDerWaalsContact O-CD2 3.29Å; I643-F647 WeakPolarHBondContact O-CD2 3.28Å; I643-F647 PolarHBondContact O-N 3.32Å; I643-Y681 WeakPolarHBondContact CD1-OH 3.23Å; I643-Y681 HydrophobicContact CG1-CE2 4.39Å; I643-Y681 WeakPolarHBondContact CG1-OH 3.5Å
644	L	62.4	Low	58.7	Low	110 Å²	110	77.8 Å²	77.8	58%	0.576	39%	0.394	S	S	*	.	H	α-helix	trans	-59.6	-40.2	172.6	-66.7	171.1	0	0	0	111.6	D640 E641 L646 N648	D640-L644 WeakPolarHBondContact O-CG 3.27Å; D640-L644 PolarHBondContact O-N 3.25Å; E641-L644 PolarHBondContact O-N 2.76Å; L644-L646 VanDerWaalsContact C-N 3.33Å; L644-L646 PolarHBondContact O-N 3.13Å; L644-N648 PolarHBondContact O-N 2.79Å; L644-N648 PolarHBondContact O-ND2 3.14Å
645	H	68.2	Low	60.6	Low	95 Å²	95	73.6 Å²	73.6	44%	0.44	37%	0.373	S	S	.	.	H	α-helix	trans	-69	-26.5	173.6	-78.9	95.8	0	0	0	113.2	E641 F642 I643 S651 Y653	E641-H645 WeakPolarHBondContact O-CB 3.36Å; E641-H645 PolarHBondContact O-N 2.94Å; E641-H645 PolarHBondContact O-ND1 3.35Å; F642-H645 CarbonylContact O-C 3.06Å; F642-H645 WeakPolarHBondContact O-CB 3.42Å; F642-H645 PolarHBondContact O-N 3.02Å; I643-H645 VanDerWaalsContact C-N 3.3Å; I643-H645 PolarHBondContact O-N 2.8Å; H645-S651 WeakPolarHBondContact O-CB 3.46Å; H645-S651 PolarHBondContact O-OG 2.8Å; H645-Y653 HydrophobicContact CB-CD2 3.85Å; H645-Y653 HydrophobicContact CB-CE2 3.57Å; H645-Y653 AromaticContact CG-CE2 3.96Å
646	L	67.3	Low	62.8	Low	3 Å²	3	71.3 Å²	71.3	2%	0.016	36%	0.361	C	S	.	.	H	α-helix	trans	-73	-43.8	173.7	-67.5	-165.4	0	0	0	112.7	I620 F624 F642 I643 L644 N648 Y653 L678 Y681	I620-L646 HydrophobicContact CD1-CB 3.94Å; I620-L646 HydrophobicContact CD1-CD1 4.34Å; F624-L646 HydrophobicContact CE2-CD1 4.2Å; F624-L646 HydrophobicContact CZ-CD1 4.38Å; F642-L646 HydrophobicContact CD1-CD1 4.21Å; F642-L646 HydrophobicContact CD1-CD2 4.43Å; F642-L646 HydrophobicContact CD1-CG 4.1Å; F642-L646 HydrophobicContact CE1-CD1 3.82Å; F642-L646 HydrophobicContact CE1-CD2 3.8Å; F642-L646 HydrophobicContact CE1-CG 3.85Å; F642-L646 HydrophobicContact CZ-CD2 3.95Å; F642-L646 HydrophobicContact CZ-CG 4.49Å; F642-L646 WeakPolarHBondContact O-CG 3.45Å; F642-L646 PolarHBondContact O-N 2.67Å; I643-L646 WeakPolarHBondContact O-CB 3.3Å; I643-L646 PolarHBondContact O-N 2.72Å; L644-L646 VanDerWaalsContact C-N 3.33Å; L644-L646 PolarHBondContact O-N 3.13Å; L646-N648 VanDerWaalsContact C-N 3.3Å; L646-N648 PolarHBondContact O-N 3.32Å; L646-Y653 HydrophobicContact CD2-CG 4.32Å; L646-L678 HydrophobicContact CD1-CD1 4.19Å; L646-L678 HydrophobicContact CD2-CD1 3.27Å; L646-L678 HydrophobicContact CG-CD1 4.37Å; L646-Y681 HydrophobicContact CD1-CD1 3.84Å; L646-Y681 HydrophobicContact CD1-CE1 3.64Å
647	F	60.6	Low	65.1	Low	83 Å²	83	64.8 Å²	64.8	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-71.6	-24	-177	-74.5	-58.9	0	0	0	113.7	T616 I620 I643	T616-F647 PolarHBondContact OG1-O 2.97Å; I620-F647 HydrophobicContact CG2-CD1 4.46Å; I620-F647 HydrophobicContact CG2-CE1 3.97Å; I643-F647 HydrophobicContact CG2-CD2 3.75Å; I643-F647 HydrophobicContact CG2-CE2 3.41Å; I643-F647 VanDerWaalsContact CG2-CE2 3.41Å; I643-F647 VanDerWaalsContact O-CD2 3.29Å; I643-F647 WeakPolarHBondContact O-CD2 3.28Å; I643-F647 PolarHBondContact O-N 3.32Å
648	N	64.6	Low	67.1	Low	91 Å²	91	59.4 Å²	59.4	49%	0.487	30%	0.301	S	S	.	.			trans	-59	125.2	176.7	-95.9	-72.2	0	0	0	111.8	L644 L646 N650 S651	L644-N648 PolarHBondContact O-N 2.79Å; L644-N648 PolarHBondContact O-ND2 3.14Å; L646-N648 VanDerWaalsContact C-N 3.3Å; L646-N648 PolarHBondContact O-N 3.32Å; N648-N650 VanDerWaalsContact C-N 3.29Å; N648-N650 PolarHBondContact O-N 3.05Å; N648-S651 WeakPolarHBondContact O-CB 3.3Å; N648-S651 PolarHBondContact O-N 2.8Å
649	P	54.6	Low	69.1	Low	32 Å²	32	59 Å²	59	21%	0.208	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-32.4	-174.8	23.2	-33.2	0	0	0	114	S612 T616 S651	S612-P649 WeakPolarHBondContact OG-CB 3.44Å; S612-P649 WeakPolarHBondContact OG-CG 3.24Å; T616-P649 HydrophobicContact CG2-CB 3.82Å; P649-S651 PolarHBondContact O-N 3.21Å
650	N	56.5	Low	71.2	Confident	141 Å²	141	58.4 Å²	58.4	75%	0.754	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	21.3	176.8	-61.8	-25.6	0	0	0	112.5	N648 Q652	N648-N650 VanDerWaalsContact C-N 3.29Å; N648-N650 PolarHBondContact O-N 3.05Å; N650-Q652 PolarHBondContact O-N 3.23Å
651	S	62.5	Low	72.9	Confident	6 Å²	6	54.1 Å²	54.1	4%	0.042	27%	0.266	C	S	.	.			trans	-62	125	-174.1	-177	0	0	0	0	113	H645 N648 P649 Y653 L654 N655	H645-S651 WeakPolarHBondContact O-CB 3.46Å; H645-S651 PolarHBondContact O-OG 2.8Å; N648-S651 WeakPolarHBondContact O-CB 3.3Å; N648-S651 PolarHBondContact O-N 2.8Å; P649-S651 PolarHBondContact O-N 3.21Å; S651-Y653 PolarHBondContact O-N 2.85Å; S651-Y653 VanDerWaalsContact O-N 3.15Å; S651-Y653 WeakPolarHBondContact OG-CB 3.25Å; S651-Y653 WeakPolarHBondContact OG-CD2 3.33Å; S651-Y653 PolarHBondContact OG-N 3.48Å; S651-Y653 VanDerWaalsContact OG-N 3.11Å; S651-L654 PolarHBondContact O-N 2.97Å; S651-L654 VanDerWaalsContact O-N 3.15Å; S651-N655 PolarHBondContact O-N 3.48Å
652	Q	67	Low	74.4	Confident	120 Å²	120	54.3 Å²	54.3	56%	0.561	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.2	171.1	-59	-175.6	7.2	0	0	113.2	N650 N671 K674	N650-Q652 PolarHBondContact O-N 3.23Å; Q652-N671 PolarHBondContact O-ND2 3.07Å; Q652-K674 HydrophobicContact CB-CD 3.74Å; Q652-K674 VanDerWaalsContact O-CD 3.3Å; Q652-K674 WeakPolarHBondContact O-CD 3.41Å
653	Y	69.6	Low	75.6	Confident	30 Å²	30	62.6 Å²	62.6	12%	0.118	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-36	172.8	-65.5	-84.4	0	0	0	112.1	F642 H645 L646 S651 C656 K674 Q677	F642-Y653 HydrophobicContact CD2-CE1 4.23Å; F642-Y653 AromaticContact CE2-CD1 3.87Å; F642-Y653 HydrophobicContact CE2-CD1 3.87Å; F642-Y653 AromaticContact CE2-CE1 3.49Å; F642-Y653 HydrophobicContact CE2-CE1 3.49Å; F642-Y653 VanDerWaalsContact CE2-CE1 3.49Å; F642-Y653 AromaticContact CE2-CZ 3.9Å; F642-Y653 HydrophobicContact CZ-CD1 4.25Å; F642-Y653 HydrophobicContact CZ-CE1 4.31Å; H645-Y653 HydrophobicContact CB-CD2 3.85Å; H645-Y653 HydrophobicContact CB-CE2 3.57Å; H645-Y653 AromaticContact CG-CE2 3.96Å; L646-Y653 HydrophobicContact CD2-CG 4.32Å; S651-Y653 PolarHBondContact O-N 2.85Å; S651-Y653 VanDerWaalsContact O-N 3.15Å; S651-Y653 WeakPolarHBondContact OG-CB 3.25Å; S651-Y653 WeakPolarHBondContact OG-CD2 3.33Å; S651-Y653 PolarHBondContact OG-N 3.48Å; S651-Y653 VanDerWaalsContact OG-N 3.11Å; Y653-C656 WeakPolarHBondContact O-CB 3.28Å; Y653-C656 PolarHBondContact O-N 3.38Å; Y653-C656 PolarHBondContact O-SG 3.14Å; Y653-K674 HydrophobicContact CD1-CB 3.66Å; Y653-K674 HydrophobicContact CD1-CD 3.95Å; Y653-K674 HydrophobicContact CD1-CG 3.88Å; Y653-K674 HydrophobicContact CD2-CD 4.39Å; Y653-K674 HydrophobicContact CE1-CB 3.95Å; Y653-K674 HydrophobicContact CE1-CD 3.97Å; Y653-K674 HydrophobicContact CE1-CG 3.75Å; Y653-K674 HydrophobicContact CE2-CD 4.43Å; Y653-K674 HydrophobicContact CG-CB 4.45Å; Y653-K674 HydrophobicContact CG-CD 4.16Å; Y653-Q677 HydrophobicContact CE1-CB 4.41Å
654	L	73.5	Confident	76.9	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-69.1	-43	173.8	-65.8	169.2	0	0	0	110.6	Y592 T616 F619 I620 S651 C656	Y592-L654 HydrophobicContact CD1-CB 4.07Å; Y592-L654 HydrophobicContact CD1-CD2 4.34Å; Y592-L654 HydrophobicContact CE1-CB 3.65Å; Y592-L654 HydrophobicContact CE1-CD1 3.82Å; Y592-L654 HydrophobicContact CE1-CD2 4.28Å; Y592-L654 HydrophobicContact CE1-CG 4.13Å; T616-L654 HydrophobicContact CG2-CD1 4.03Å; F619-L654 HydrophobicContact CD1-CD2 3.6Å; F619-L654 HydrophobicContact CE1-CD2 3.58Å; I620-L654 HydrophobicContact CD1-CD2 3.93Å; S651-L654 PolarHBondContact O-N 2.97Å; S651-L654 VanDerWaalsContact O-N 3.15Å; L654-C656 PolarHBondContact O-N 3.43Å; L654-C656 VanDerWaalsContact O-N 3.08Å
655	N	82	Confident	78.3	Confident	55 Å²	55	59.6 Å²	59.6	29%	0.294	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-83	33.8	176.2	-66	-23.7	0	0	0	113.2	S651	S651-N655 PolarHBondContact O-N 3.48Å
656	C	90.8	Very high	79.6	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-83	-21.4	176.6	73	0	0	0	0	113.6	Y653 L654 I669 R670 N671 K674 L675	Y653-C656 WeakPolarHBondContact O-CB 3.28Å; Y653-C656 PolarHBondContact O-N 3.38Å; Y653-C656 PolarHBondContact O-SG 3.14Å; L654-C656 PolarHBondContact O-N 3.43Å; L654-C656 VanDerWaalsContact O-N 3.08Å; C656-I669 CarbonylContact O-C 3.58Å; C656-R670 PolarHBondContact O-N 3.06Å; C656-N671 HydrophobicContact CB-CB 4.1Å; C656-N671 PolarHBondContact O-N 3.46Å; C656-N671 VanDerWaalsContact O-N 3.14Å; C656-K674 HydrophobicContact CB-CB 4.05Å; C656-L675 HydrophobicContact CB-CB 4.22Å
657	V	92.3	Very high	80.9	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.7	170.4	-155.9	0	0	0	0	108.3	I586 L589 L590 S593 F667 Q668 I669 L675	I586-V657 HydrophobicContact CG2-CG1 4.26Å; L589-V657 HydrophobicContact CD1-CG2 4.2Å; L590-V657 HydrophobicContact CD1-CG1 4.28Å; L590-V657 HydrophobicContact CD2-CB 4.18Å; L590-V657 HydrophobicContact CD2-CG1 3.82Å; L590-V657 HydrophobicContact CG-CB 4.41Å; L590-V657 HydrophobicContact CG-CG1 4.06Å; S593-V657 PolarHBondContact OG-O 3.4Å; V657-F667 HydrophobicContact CG1-CB 4.23Å; V657-F667 HydrophobicContact CG1-CD2 3.53Å; V657-F667 HydrophobicContact CG1-CE2 4.24Å; V657-F667 HydrophobicContact CG1-CG 4.22Å; V657-Q668 CarbonylContact C-O 3.56Å; V657-Q668 WeakPolarHBondContact CA-O 3.43Å; V657-Q668 VanDerWaalsContact CG1-O 3.3Å; V657-Q668 WeakPolarHBondContact CG1-O 3.06Å; V657-I669 HydrophobicContact CG1-CG1 4.23Å; V657-L675 HydrophobicContact CG2-CD1 3.92Å; V657-L675 HydrophobicContact CG2-CD2 4.19Å
658	Q	92.1	Very high	82.5	Confident	66 Å²	66	53.5 Å²	53.5	31%	0.308	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	147.1	176.5	64.2	-169.2	15.4	0	0	110.3	F667 Q668	Q658-F667 CarbonylContact O-C 3.25Å; Q658-F667 WeakPolarHBondContact O-CA 3.29Å; Q658-F667 WeakPolarHBondContact O-CB 3Å; Q658-Q668 HydrophobicContact CG-CB 4.15Å; Q658-Q668 PolarHBondContact N-O 3.08Å; Q658-Q668 PolarHBondContact O-N 3.16Å
659	W	93.4	Very high	84	Confident	61 Å²	61	49.2 Å²	49.2	23%	0.231	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	134.9	162.8	-66.1	108.5	0	0	0	108.5	L590 S594 K662 R665 F667 F718	L590-W659 HydrophobicContact CB-CD2 4.46Å; L590-W659 HydrophobicContact CB-CZ2 3.72Å; L590-W659 HydrophobicContact CD1-CD2 4.44Å; L590-W659 HydrophobicContact CD1-CE3 4.47Å; L590-W659 HydrophobicContact CD1-CH2 4.06Å; L590-W659 HydrophobicContact CD1-CZ2 4.03Å; L590-W659 HydrophobicContact CD1-CZ3 4.27Å; L590-W659 HydrophobicContact CD2-CD2 4.11Å; L590-W659 HydrophobicContact CD2-CG 4.1Å; L590-W659 HydrophobicContact CG-CZ2 4.39Å; L590-W659 PolarHBondContact O-NE1 3.25Å; S594-W659 VanDerWaalsContact OG-CD1 3.32Å; S594-W659 PolarHBondContact OG-NE1 3.35Å; S594-W659 VanDerWaalsContact OG-NE1 3.15Å; W659-K662 HydrophobicContact CD2-CB 4.4Å; W659-K662 HydrophobicContact CD2-CG 4.46Å; W659-K662 HydrophobicContact CG-CB 4.34Å; W659-R665 HydrophobicContact CZ3-CB 4.3Å; W659-F667 HydrophobicContact CE3-CB 4.24Å; W659-F718 AromaticContact CH2-CD2 3.71Å; W659-F718 HydrophobicContact CH2-CD2 3.71Å; W659-F718 AromaticContact CH2-CE2 3.5Å; W659-F718 HydrophobicContact CH2-CE2 3.5Å; W659-F718 HydrophobicContact CZ2-CE2 4.46Å; W659-F718 AromaticContact CZ3-CD2 3.81Å; W659-F718 HydrophobicContact CZ3-CD2 3.81Å; W659-F718 AromaticContact CZ3-CE2 3.81Å; W659-F718 HydrophobicContact CZ3-CE2 3.81Å
660	I	92.9	Very high	85.8	Confident	49 Å²	49	54.6 Å²	54.6	25%	0.251	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-44.9	159.3	-74.7	177.5	0	0	0	108.5	V450 I666 Q668 Q715	V450-I660 HydrophobicContact CB-CG2 3.93Å; V450-I660 HydrophobicContact CG2-CG2 3.53Å; I660-I666 HydrophobicContact CB-CB 4.28Å; I660-I666 HydrophobicContact CB-CG2 3.95Å; I660-I666 HydrophobicContact CD1-CG2 4.11Å; I660-I666 HydrophobicContact CG1-CG2 4.47Å; I660-I666 HydrophobicContact CG2-CG2 4.36Å; I660-I666 PolarHBondContact N-O 3.22Å; I660-Q668 HydrophobicContact CD1-CB 3.78Å; I660-Q668 HydrophobicContact CD1-CG 4.46Å; I660-Q668 HydrophobicContact CG1-CB 3.98Å; I660-Q715 HydrophobicContact CD1-CG 3.58Å; I660-Q715 VanDerWaalsContact CD1-NE2 3.3Å
661	D	91.8	Very high	87.6	Confident	32 Å²	32	49.7 Å²	49.7	17%	0.171	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	119.9	178.4	175.8	-6	0	0	0	108.2	T451 Q663 A664 R665 I666	T451-D661 WeakPolarHBondContact CB-OD2 3.28Å; T451-D661 HydrophobicContact CG2-CB 3.43Å; T451-D661 VanDerWaalsContact CG2-CB 3.43Å; T451-D661 WeakPolarHBondContact CG2-OD2 3.28Å; T451-D661 PolarHBondContact OG1-OD2 2.91Å; D661-Q663 WeakPolarHBondContact OD1-CA 3.29Å; D661-Q663 WeakPolarHBondContact OD1-CB 3.48Å; D661-Q663 PolarHBondContact OD1-N 2.73Å; D661-A664 HydrophobicContact CB-CB 4.04Å; D661-A664 VanDerWaalsContact CG-CB 3.46Å; D661-A664 PolarHBondContact OD1-N 2.75Å; D661-A664 WeakPolarHBondContact OD2-CB 3.21Å; D661-A664 PolarHBondContact OD2-N 3.38Å; D661-R665 CarbonylContact O-C 3.36Å; D661-R665 WeakPolarHBondContact O-CA 3.37Å; D661-R665 PolarHBondContact O-N 2.89Å; D661-R665 VanDerWaalsContact O-N 3.09Å; D661-I666 PolarHBondContact N-O 3.02Å; D661-I666 PolarHBondContact O-N 3.46Å
662	K	90.9	Very high	89.1	Confident	128 Å²	128	50.4 Å²	50.4	56%	0.557	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-29.2	-179.9	-171.5	168.8	-179.8	166.2	0	112.6	S594 W659 R665	S594-K662 PolarHBondContact OG-NZ 2.71Å; S594-K662 VanDerWaalsContact OG-NZ 3.17Å; W659-K662 HydrophobicContact CD2-CB 4.4Å; W659-K662 HydrophobicContact CD2-CG 4.46Å; W659-K662 HydrophobicContact CG-CB 4.34Å; K662-R665 PolarHBondContact O-N 2.88Å
663	Q	89.7	Confident	90.3	Very high	183 Å²	183	50.6 Å²	50.6	86%	0.855	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-48.1	176.8	-62	-176.6	-22.1	0	0	110.4	D661 R665	D661-Q663 WeakPolarHBondContact OD1-CA 3.29Å; D661-Q663 WeakPolarHBondContact OD1-CB 3.48Å; D661-Q663 PolarHBondContact OD1-N 2.73Å; Q663-R665 PolarHBondContact O-N 3.11Å
664	A	91.8	Very high	91.4	Very high	7 Å²	7	51.4 Å²	51.4	6%	0.058	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-3.5	173.1	0	0	0	0	0	114.1	T451 S452 D661 I666 R717	T451-A664 VanDerWaalsContact CB-CB 3.45Å; T451-A664 HydrophobicContact CG2-CB 3.58Å; T451-A664 WeakPolarHBondContact OG1-CB 3.43Å; S452-A664 WeakPolarHBondContact OG-CB 3.23Å; D661-A664 HydrophobicContact CB-CB 4.04Å; D661-A664 VanDerWaalsContact CG-CB 3.46Å; D661-A664 PolarHBondContact OD1-N 2.75Å; D661-A664 WeakPolarHBondContact OD2-CB 3.21Å; D661-A664 PolarHBondContact OD2-N 3.38Å; A664-I666 HydrophobicContact CB-CD1 4.34Å; A664-I666 HydrophobicContact CB-CG1 4.01Å; A664-I666 PolarHBondContact O-N 2.86Å; A664-R717 WeakPolarHBondContact O-CD 3.22Å; A664-R717 WeakPolarHBondContact O-CG 3.38Å; A664-R717 PolarHBondContact O-NH1 3.23Å
665	R	92.5	Very high	92.3	Very high	69 Å²	69	51.3 Å²	51.3	26%	0.26	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	31.1	-178.1	-58.8	171	-73	155.3	1.1	113.7	W659 D661 K662 Q663 R717 F718 L719 D720	W659-R665 HydrophobicContact CZ3-CB 4.3Å; D661-R665 CarbonylContact O-C 3.36Å; D661-R665 WeakPolarHBondContact O-CA 3.37Å; D661-R665 PolarHBondContact O-N 2.89Å; D661-R665 VanDerWaalsContact O-N 3.09Å; K662-R665 PolarHBondContact O-N 2.88Å; Q663-R665 PolarHBondContact O-N 3.11Å; R665-R717 HydrophobicContact CB-CG 4.3Å; R665-R717 VanDerWaalsContact O-CA 3.25Å; R665-R717 WeakPolarHBondContact O-CA 3.2Å; R665-F718 HydrophobicContact CB-CB 4.27Å; R665-F718 VanDerWaalsContact CZ-O 3.31Å; R665-F718 PolarHBondContact NH1-O 3.45Å; R665-F718 PolarHBondContact O-N 3.06Å; R665-L719 PolarHBondContact NH1-O 2.73Å; R665-L719 PolarHBondContact NH2-O 2.83Å; R665-D720 PolarHBondContact NH1-O 3.45Å
666	I	94.4	Very high	92.9	Very high	2 Å²	2	49 Å²	49	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	127.9	175.3	-54.7	-175	0	0	0	110.3	T451 I660 D661 A664 I709 Y716 R717	T451-I666 HydrophobicContact CG2-CD1 3.2Å; T451-I666 HydrophobicContact CG2-CG1 4.02Å; I660-I666 HydrophobicContact CB-CB 4.28Å; I660-I666 HydrophobicContact CB-CG2 3.95Å; I660-I666 HydrophobicContact CD1-CG2 4.11Å; I660-I666 HydrophobicContact CG1-CG2 4.47Å; I660-I666 HydrophobicContact CG2-CG2 4.36Å; I660-I666 PolarHBondContact N-O 3.22Å; D661-I666 PolarHBondContact N-O 3.02Å; D661-I666 PolarHBondContact O-N 3.46Å; A664-I666 HydrophobicContact CB-CD1 4.34Å; A664-I666 HydrophobicContact CB-CG1 4.01Å; A664-I666 PolarHBondContact O-N 2.86Å; I666-I709 HydrophobicContact CB-CD1 4.36Å; I666-I709 HydrophobicContact CD1-CD1 3.62Å; I666-I709 HydrophobicContact CG1-CD1 4.01Å; I666-I709 HydrophobicContact CG2-CD1 3.47Å; I666-I709 VanDerWaalsContact CG2-CD1 3.47Å; I666-Y716 WeakPolarHBondContact CA-O 3.43Å; I666-R717 HydrophobicContact CG1-CB 4.24Å
667	F	95.1	Very high	92.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	158.6	167.8	67.5	-92.5	0	0	0	112.6	I586 L590 V657 Q658 W659 I669 L706 Q715 Y716 F718	I586-F667 HydrophobicContact CG2-CD2 4.25Å; I586-F667 HydrophobicContact CG2-CE1 4.33Å; I586-F667 HydrophobicContact CG2-CE2 3.82Å; I586-F667 HydrophobicContact CG2-CZ 3.85Å; L590-F667 HydrophobicContact CD1-CB 3.56Å; L590-F667 HydrophobicContact CD1-CD1 3.81Å; L590-F667 HydrophobicContact CD1-CD2 4.27Å; L590-F667 HydrophobicContact CD1-CE1 4.49Å; L590-F667 HydrophobicContact CD1-CG 3.65Å; L590-F667 HydrophobicContact CD2-CB 3.89Å; L590-F667 HydrophobicContact CG-CB 4.37Å; V657-F667 HydrophobicContact CG1-CB 4.23Å; V657-F667 HydrophobicContact CG1-CD2 3.53Å; V657-F667 HydrophobicContact CG1-CE2 4.24Å; V657-F667 HydrophobicContact CG1-CG 4.22Å; Q658-F667 CarbonylContact O-C 3.25Å; Q658-F667 WeakPolarHBondContact O-CA 3.29Å; Q658-F667 WeakPolarHBondContact O-CB 3Å; W659-F667 HydrophobicContact CE3-CB 4.24Å; F667-I669 HydrophobicContact CD2-CG1 4.34Å; F667-I669 HydrophobicContact CE2-CD1 4.42Å; F667-I669 HydrophobicContact CE2-CG1 4.14Å; F667-L706 HydrophobicContact CE1-CD1 3.43Å; F667-L706 VanDerWaalsContact CE1-CD1 3.43Å; F667-L706 HydrophobicContact CZ-CD1 3.57Å; F667-L706 HydrophobicContact CZ-CD2 4.41Å; F667-Q715 WeakPolarHBondContact O-CA 3.42Å; F667-Y716 HydrophobicContact CD2-CD2 4.42Å; F667-Y716 AromaticContact CE2-CD2 3.84Å; F667-Y716 HydrophobicContact CE2-CD2 3.84Å; F667-Y716 HydrophobicContact CE2-CG 4.24Å; F667-Y716 HydrophobicContact CZ-CD2 4.34Å; F667-Y716 HydrophobicContact CZ-CG 4.28Å; F667-Y716 PolarHBondContact N-O 2.83Å; F667-Y716 PolarHBondContact O-N 3.24Å; F667-Y716 VanDerWaalsContact O-O 3.1Å; F667-F718 AromaticContact CD1-CD2 3.66Å; F667-F718 HydrophobicContact CD1-CD2 3.66Å; F667-F718 AromaticContact CD1-CE2 3.25Å; F667-F718 HydrophobicContact CD1-CE2 3.25Å; F667-F718 HydrophobicContact CD1-CZ 4.05Å; F667-F718 AromaticContact CE1-CD2 3.67Å; F667-F718 HydrophobicContact CE1-CD2 3.67Å; F667-F718 HydrophobicContact CE1-CE1 4.36Å; F667-F718 AromaticContact CE1-CE2 3.29Å; F667-F718 HydrophobicContact CE1-CE2 3.29Å; F667-F718 HydrophobicContact CE1-CG 4.35Å; F667-F718 AromaticContact CE1-CZ 3.69Å; F667-F718 HydrophobicContact CE1-CZ 3.69Å; F667-F718 HydrophobicContact CG-CE2 4.34Å; F667-F718 HydrophobicContact CZ-CE2 4.43Å; F667-F718 HydrophobicContact CZ-CZ 4.5Å
668	Q	95.1	Very high	92.8	Very high	51 Å²	51	52.9 Å²	52.9	24%	0.238	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.8	172.8	-170.1	176	37.2	0	0	110.3	V657 Q658 I660 R670 N714 Q715	V657-Q668 CarbonylContact C-O 3.56Å; V657-Q668 WeakPolarHBondContact CA-O 3.43Å; V657-Q668 VanDerWaalsContact CG1-O 3.3Å; V657-Q668 WeakPolarHBondContact CG1-O 3.06Å; Q658-Q668 HydrophobicContact CG-CB 4.15Å; Q658-Q668 PolarHBondContact N-O 3.08Å; Q658-Q668 PolarHBondContact O-N 3.16Å; I660-Q668 HydrophobicContact CD1-CB 3.78Å; I660-Q668 HydrophobicContact CD1-CG 4.46Å; I660-Q668 HydrophobicContact CG1-CB 3.98Å; Q668-R670 PolarHBondContact O-N 3.15Å; Q668-N714 WeakPolarHBondContact CA-O 3.49Å; Q668-Q715 HydrophobicContact CB-CG 4.08Å; Q668-Q715 HydrophobicContact CG-CG 3.85Å
669	I	95.5	Very high	92.8	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	93.3	168.1	-55.2	170.7	0	0	0	107.3	C656 V657 F667 P672 L675 F690 L697 N714 Y716	C656-I669 CarbonylContact O-C 3.58Å; V657-I669 HydrophobicContact CG1-CG1 4.23Å; F667-I669 HydrophobicContact CD2-CG1 4.34Å; F667-I669 HydrophobicContact CE2-CD1 4.42Å; F667-I669 HydrophobicContact CE2-CG1 4.14Å; I669-P672 HydrophobicContact CG2-CB 4.37Å; I669-L675 HydrophobicContact CB-CD2 4.37Å; I669-L675 HydrophobicContact CD1-CD2 3.65Å; I669-L675 HydrophobicContact CG1-CD2 3.92Å; I669-L675 HydrophobicContact CG2-CB 4.05Å; I669-L675 HydrophobicContact CG2-CD2 3.55Å; I669-L675 HydrophobicContact CG2-CG 4.45Å; I669-F690 HydrophobicContact CD1-CE2 3.85Å; I669-F690 HydrophobicContact CD1-CZ 4.22Å; I669-F690 HydrophobicContact CG2-CE2 4.03Å; I669-L697 HydrophobicContact CD1-CD1 3.59Å; I669-N714 HydrophobicContact CB-CB 4.19Å; I669-N714 PolarHBondContact N-O 3.2Å; I669-N714 WeakPolarHBondContact O-CB 3.47Å; I669-N714 PolarHBondContact O-ND2 3.05Å; I669-Y716 HydrophobicContact CD1-CD2 4.12Å; I669-Y716 HydrophobicContact CD1-CE2 3.58Å; I669-Y716 HydrophobicContact CG1-CD2 4.41Å; I669-Y716 HydrophobicContact CG1-CE2 4.16Å
670	R	93	Very high	92.8	Very high	145 Å²	145	47.5 Å²	47.5	55%	0.547	22%	0.217	S	C	.	.	S	Bend	trans	-63.9	-46.3	-177.6	-177.7	-178.3	177.1	-170.7	1	112	C656 Q668 P672	C656-R670 PolarHBondContact O-N 3.06Å; Q668-R670 PolarHBondContact O-N 3.15Å; R670-P672 WeakPolarHBondContact O-CD 3.18Å
671	N	93.1	Very high	92.6	Very high	37 Å²	37	46.5 Å²	46.5	20%	0.198	21%	0.21	C	C	.	.			trans	-119.5	84.9	-178.2	-68.2	-36.1	0	0	0	110	Q652 C656 Q673 K674 L675	Q652-N671 PolarHBondContact O-ND2 3.07Å; C656-N671 HydrophobicContact CB-CB 4.1Å; C656-N671 PolarHBondContact O-N 3.46Å; C656-N671 VanDerWaalsContact O-N 3.14Å; N671-Q673 VanDerWaalsContact C-N 3.34Å; N671-Q673 PolarHBondContact O-N 3.29Å; N671-K674 HydrophobicContact CB-CB 3.81Å; N671-K674 HydrophobicContact CB-CD 4.35Å; N671-K674 HydrophobicContact CB-CG 4.06Å; N671-K674 PolarHBondContact O-N 3.39Å; N671-K674 VanDerWaalsContact O-N 3.16Å; N671-L675 PolarHBondContact O-N 3.38Å
672	P	94.5	Very high	92.4	Very high	22 Å²	22	45.7 Å²	45.7	14%	0.143	21%	0.205	C	C	.	.	H	α-helix	trans	-58.4	-40.1	-174.4	17.6	-28.3	0	0	0	113.9	I669 R670 L675 S676 F690	I669-P672 HydrophobicContact CG2-CB 4.37Å; R670-P672 WeakPolarHBondContact O-CD 3.18Å; P672-L675 PolarHBondContact O-N 3.14Å; P672-S676 PolarHBondContact O-N 2.91Å; P672-F690 HydrophobicContact CB-CB 3.93Å; P672-F690 HydrophobicContact CB-CD1 3.52Å; P672-F690 HydrophobicContact CB-CD2 3.44Å; P672-F690 VanDerWaalsContact CB-CD2 3.44Å; P672-F690 HydrophobicContact CB-CE1 3.82Å; P672-F690 HydrophobicContact CB-CE2 3.76Å; P672-F690 HydrophobicContact CB-CG 3.31Å; P672-F690 HydrophobicContact CB-CZ 3.93Å
673	Q	93.1	Very high	92.4	Very high	124 Å²	124	44.9 Å²	44.9	58%	0.579	20%	0.198	S	C	*	.	H	α-helix	trans	-66.1	-41.9	176.8	-59.7	83.4	-8.1	0	0	111.8	N671 S676 Q677	N671-Q673 VanDerWaalsContact C-N 3.34Å; N671-Q673 PolarHBondContact O-N 3.29Å; Q673-S676 PolarHBondContact O-N 3.25Å; Q673-S676 PolarHBondContact O-OG 2.99Å; Q673-Q677 WeakPolarHBondContact O-CG 3.1Å; Q673-Q677 PolarHBondContact O-N 2.94Å
674	K	91.4	Very high	92.3	Very high	46 Å²	46	40.4 Å²	40.4	20%	0.2	18%	0.176	C	C	.	.	H	α-helix	trans	-67.6	-37.6	178.4	-66.4	-161.7	168.7	91.5	0	111.8	Q652 Y653 C656 N671 S676 L678	Q652-K674 HydrophobicContact CB-CD 3.74Å; Q652-K674 VanDerWaalsContact O-CD 3.3Å; Q652-K674 WeakPolarHBondContact O-CD 3.41Å; Y653-K674 HydrophobicContact CD1-CB 3.66Å; Y653-K674 HydrophobicContact CD1-CD 3.95Å; Y653-K674 HydrophobicContact CD1-CG 3.88Å; Y653-K674 HydrophobicContact CD2-CD 4.39Å; Y653-K674 HydrophobicContact CE1-CB 3.95Å; Y653-K674 HydrophobicContact CE1-CD 3.97Å; Y653-K674 HydrophobicContact CE1-CG 3.75Å; Y653-K674 HydrophobicContact CE2-CD 4.43Å; Y653-K674 HydrophobicContact CG-CB 4.45Å; Y653-K674 HydrophobicContact CG-CD 4.16Å; C656-K674 HydrophobicContact CB-CB 4.05Å; N671-K674 HydrophobicContact CB-CB 3.81Å; N671-K674 HydrophobicContact CB-CD 4.35Å; N671-K674 HydrophobicContact CB-CG 4.06Å; N671-K674 PolarHBondContact O-N 3.39Å; N671-K674 VanDerWaalsContact O-N 3.16Å; K674-S676 VanDerWaalsContact C-N 3.35Å; K674-L678 WeakPolarHBondContact O-CB 3.43Å; K674-L678 PolarHBondContact O-N 3.43Å
675	L	93.6	Very high	92.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.9	-41	171.5	178.5	64.8	0	0	0	111.5	F585 I586 L589 C656 V657 I669 N671 P672 L678 W679 V693	F585-L675 HydrophobicContact CE1-CD1 4.26Å; I586-L675 HydrophobicContact CD1-CD2 4.44Å; I586-L675 HydrophobicContact CG1-CD1 4.48Å; L589-L675 HydrophobicContact CD1-CD1 3.77Å; C656-L675 HydrophobicContact CB-CB 4.22Å; V657-L675 HydrophobicContact CG2-CD1 3.92Å; V657-L675 HydrophobicContact CG2-CD2 4.19Å; I669-L675 HydrophobicContact CB-CD2 4.37Å; I669-L675 HydrophobicContact CD1-CD2 3.65Å; I669-L675 HydrophobicContact CG1-CD2 3.92Å; I669-L675 HydrophobicContact CG2-CB 4.05Å; I669-L675 HydrophobicContact CG2-CD2 3.55Å; I669-L675 HydrophobicContact CG2-CG 4.45Å; N671-L675 PolarHBondContact O-N 3.38Å; P672-L675 PolarHBondContact O-N 3.14Å; L675-L678 PolarHBondContact O-N 2.82Å; L675-W679 VanDerWaalsContact O-CB 3.29Å; L675-W679 WeakPolarHBondContact O-CB 3.16Å; L675-W679 PolarHBondContact O-N 2.93Å; L675-V693 HydrophobicContact CD2-CG1 4.16Å
676	S	93.2	Very high	91.9	Very high	7 Å²	7	43.4 Å²	43.4	5%	0.049	20%	0.199	C	C	.	.	H	α-helix	trans	-72.4	-38	-178.6	84.5	0	0	0	0	112.9	P672 Q673 K674 G680 M688 F690	P672-S676 PolarHBondContact O-N 2.91Å; Q673-S676 PolarHBondContact O-N 3.25Å; Q673-S676 PolarHBondContact O-OG 2.99Å; K674-S676 VanDerWaalsContact C-N 3.35Å; S676-G680 WeakPolarHBondContact O-CA 3.39Å; S676-G680 PolarHBondContact O-N 2.98Å; S676-M688 CarbonylContact C-O 3.54Å; S676-M688 WeakPolarHBondContact CB-O 3.35Å; S676-M688 WeakPolarHBondContact O-CB 3.41Å; S676-M688 WeakPolarHBondContact O-CG 3.48Å; S676-M688 PolarHBondContact OG-O 3.28Å; S676-F690 VanDerWaalsContact CB-N 3.26Å; S676-F690 PolarHBondContact OG-N 2.94Å
677	Q	91.6	Very high	91.7	Very high	80 Å²	80	49.5 Å²	49.5	37%	0.374	23%	0.231	S	C	.	.	H	α-helix	trans	-60.8	-46.5	169.7	-71.8	168.8	-38.6	0	0	111.3	F642 Y653 Q673 G680 Y681	F642-Q677 HydrophobicContact CE2-CB 3.89Å; F642-Q677 HydrophobicContact CZ-CB 4.29Å; Y653-Q677 HydrophobicContact CE1-CB 4.41Å; Q673-Q677 WeakPolarHBondContact O-CG 3.1Å; Q673-Q677 PolarHBondContact O-N 2.94Å; Q677-G680 PolarHBondContact O-N 2.9Å; Q677-Y681 WeakPolarHBondContact O-CB 3.29Å; Q677-Y681 PolarHBondContact O-N 2.84Å
678	L	91.1	Very high	91.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65	-43.6	179.6	-171	73.8	0	0	0	112.9	F585 L589 F624 F642 L646 K674 L675 Y682	F585-L678 HydrophobicContact CE1-CD2 4.31Å; F585-L678 HydrophobicContact CE1-CG 4.48Å; F585-L678 HydrophobicContact CZ-CD2 4.03Å; F585-L678 HydrophobicContact CZ-CG 3.94Å; L589-L678 HydrophobicContact CD1-CD2 4.04Å; L589-L678 HydrophobicContact CD2-CD2 3.73Å; L589-L678 HydrophobicContact CG-CD2 4.49Å; F624-L678 HydrophobicContact CZ-CD1 4.5Å; F642-L678 HydrophobicContact CZ-CD1 4.36Å; L646-L678 HydrophobicContact CD1-CD1 4.19Å; L646-L678 HydrophobicContact CD2-CD1 3.27Å; L646-L678 HydrophobicContact CG-CD1 4.37Å; K674-L678 WeakPolarHBondContact O-CB 3.43Å; K674-L678 PolarHBondContact O-N 3.43Å; L675-L678 PolarHBondContact O-N 2.82Å; L678-Y682 WeakPolarHBondContact O-CB 3.14Å; L678-Y682 PolarHBondContact O-N 2.86Å
679	W	92	Very high	91.6	Very high	13 Å²	13	51.4 Å²	51.4	5%	0.049	25%	0.245	C	C	.	.	H	α-helix	trans	-68.8	-34.1	173.3	175	-111.7	0	0	0	112.2	L580 L582 F585 L675 Y682 R683 V693	L580-W679 WeakPolarHBondContact O-CH2 3.45Å; L582-W679 HydrophobicContact CB-CH2 3.87Å; L582-W679 HydrophobicContact CB-CZ2 3.76Å; L582-W679 HydrophobicContact CB-CZ3 4.28Å; L582-W679 HydrophobicContact CD1-CD2 3.67Å; L582-W679 HydrophobicContact CD1-CE3 3.96Å; L582-W679 HydrophobicContact CD1-CG 3.92Å; L582-W679 HydrophobicContact CD1-CZ2 4.44Å; L582-W679 HydrophobicContact CD1-CZ3 4.46Å; L582-W679 VanDerWaalsContact N-CH2 3.34Å; F585-W679 HydrophobicContact CB-CE3 4.05Å; F585-W679 HydrophobicContact CB-CZ3 3.77Å; F585-W679 AromaticContact CD1-CE3 3.63Å; F585-W679 HydrophobicContact CD1-CE3 3.63Å; F585-W679 HydrophobicContact CD1-CZ3 4.24Å; F585-W679 HydrophobicContact CD2-CE3 4.07Å; F585-W679 HydrophobicContact CD2-CZ3 4.19Å; F585-W679 HydrophobicContact CE1-CB 4.17Å; F585-W679 HydrophobicContact CE1-CE3 4.02Å; F585-W679 HydrophobicContact CE2-CE3 4.43Å; F585-W679 AromaticContact CG-CE3 3.65Å; F585-W679 HydrophobicContact CG-CE3 3.65Å; F585-W679 AromaticContact CG-CZ3 3.83Å; F585-W679 HydrophobicContact CG-CZ3 3.83Å; F585-W679 HydrophobicContact CZ-CE3 4.39Å; L675-W679 VanDerWaalsContact O-CB 3.29Å; L675-W679 WeakPolarHBondContact O-CB 3.16Å; L675-W679 PolarHBondContact O-N 2.93Å; W679-Y682 AromaticContact CE3-CD1 3.78Å; W679-Y682 HydrophobicContact CE3-CD1 3.78Å; W679-Y682 HydrophobicContact CH2-CD1 4.36Å; W679-Y682 AromaticContact CZ3-CD1 3.51Å; W679-Y682 HydrophobicContact CZ3-CD1 3.51Å; W679-Y682 AromaticContact CZ3-CE1 3.98Å; W679-Y682 HydrophobicContact CZ3-CE1 3.98Å; W679-Y682 PolarHBondContact O-N 3.2Å; W679-R683 HydrophobicContact CD2-CG 3.91Å; W679-R683 HydrophobicContact CE3-CG 4.3Å; W679-R683 HydrophobicContact CG-CG 4.48Å; W679-R683 HydrophobicContact CH2-CG 4.05Å; W679-R683 HydrophobicContact CZ2-CG 3.61Å; W679-R683 HydrophobicContact CZ3-CG 4.38Å; W679-R683 WeakPolarHBondContact O-CB 3.36Å; W679-R683 VanDerWaalsContact O-CG 3.27Å; W679-R683 WeakPolarHBondContact O-CG 3.07Å; W679-R683 PolarHBondContact O-N 3.35Å; W679-V693 HydrophobicContact CG-CG2 4.42Å
680	G	92.7	Very high	91.6	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-53.4	174.3	0	0	0	0	0	111.6	S676 Q677 Y682 R683 K684 N685	S676-G680 WeakPolarHBondContact O-CA 3.39Å; S676-G680 PolarHBondContact O-N 2.98Å; Q677-G680 PolarHBondContact O-N 2.9Å; G680-Y682 VanDerWaalsContact C-N 3.31Å; G680-Y682 PolarHBondContact O-N 3.02Å; G680-R683 CarbonylContact O-C 3.5Å; G680-R683 WeakPolarHBondContact O-CA 3.41Å; G680-R683 PolarHBondContact O-N 2.93Å; G680-K684 PolarHBondContact O-N 3.19Å; G680-N685 CarbonylContact C-O 3.17Å; G680-N685 VanDerWaalsContact C-O 3.25Å; G680-N685 WeakPolarHBondContact CA-O 3.35Å; G680-N685 PolarHBondContact O-N 3.42Å
681	Y	88.5	Confident	91.8	Very high	29 Å²	29	53.2 Å²	53.2	11%	0.114	26%	0.259	C	S	.	.	H	α-helix	trans	-54.5	-45.7	172.7	-175.2	-107.6	0	0	0	111.4	F624 F632 F642 I643 L646 Q677 R683 K684	F624-Y681 HydrophobicContact CD1-CD1 4.24Å; F624-Y681 HydrophobicContact CD1-CE1 4.04Å; F624-Y681 AromaticContact CE1-CD1 3.27Å; F624-Y681 HydrophobicContact CE1-CD1 3.27Å; F624-Y681 AromaticContact CE1-CE1 3.52Å; F624-Y681 HydrophobicContact CE1-CE1 3.52Å; F624-Y681 HydrophobicContact CE1-CG 4.35Å; F624-Y681 HydrophobicContact CE2-CD1 4.45Å; F624-Y681 AromaticContact CZ-CD1 3.46Å; F624-Y681 HydrophobicContact CZ-CD1 3.46Å; F624-Y681 VanDerWaalsContact CZ-CD1 3.46Å; F624-Y681 AromaticContact CZ-CE1 3.9Å; F624-Y681 HydrophobicContact CZ-CE1 3.9Å; F632-Y681 WeakPolarHBondContact CD1-OH 3.3Å; F632-Y681 VanDerWaalsContact CE1-OH 3.25Å; F632-Y681 WeakPolarHBondContact CE1-OH 3.39Å; F642-Y681 HydrophobicContact CD1-CD1 4.1Å; F642-Y681 AromaticContact CD1-CD2 3.83Å; F642-Y681 HydrophobicContact CD1-CD2 3.83Å; F642-Y681 HydrophobicContact CD1-CE1 4.43Å; F642-Y681 HydrophobicContact CD1-CE2 4.16Å; F642-Y681 AromaticContact CD1-CG 3.81Å; F642-Y681 HydrophobicContact CD1-CG 3.81Å; F642-Y681 AromaticContact CE1-CD1 3.61Å; F642-Y681 HydrophobicContact CE1-CD1 3.61Å; F642-Y681 AromaticContact CE1-CD2 3.94Å; F642-Y681 HydrophobicContact CE1-CD2 3.94Å; F642-Y681 HydrophobicContact CE1-CE1 4.3Å; F642-Y681 AromaticContact CE1-CG 3.43Å; F642-Y681 HydrophobicContact CE1-CG 3.43Å; F642-Y681 VanDerWaalsContact CE1-CG 3.43Å; F642-Y681 HydrophobicContact CZ-CG 4.45Å; I643-Y681 WeakPolarHBondContact CD1-OH 3.23Å; I643-Y681 HydrophobicContact CG1-CE2 4.39Å; I643-Y681 WeakPolarHBondContact CG1-OH 3.5Å; L646-Y681 HydrophobicContact CD1-CD1 3.84Å; L646-Y681 HydrophobicContact CD1-CE1 3.64Å; Q677-Y681 WeakPolarHBondContact O-CB 3.29Å; Q677-Y681 PolarHBondContact O-N 2.84Å; Y681-R683 VanDerWaalsContact C-N 3.28Å; Y681-R683 PolarHBondContact O-N 2.77Å; Y681-K684 PolarHBondContact O-N 3.25Å
682	Y	88.6	Confident	91.9	Very high	14 Å²	14	54 Å²	54	6%	0.055	27%	0.267	C	S	.	.	H	α-helix	trans	-60.2	-33.2	173.5	-174.4	-109.4	0	0	0	114.6	R579 L580 F585 L623 F624 L678 W679 G680	R579-Y682 VanDerWaalsContact CA-OH 3.31Å; R579-Y682 WeakPolarHBondContact CA-OH 3.02Å; R579-Y682 HydrophobicContact CB-CE1 4.32Å; L580-Y682 HydrophobicContact CB-CE1 3.87Å; L580-Y682 PolarHBondContact N-OH 3.17Å; F585-Y682 AromaticContact CD2-CD1 3.87Å; F585-Y682 HydrophobicContact CD2-CD1 3.87Å; F585-Y682 HydrophobicContact CD2-CE1 4.31Å; F585-Y682 AromaticContact CD2-CG 4Å; F585-Y682 HydrophobicContact CD2-CG 4Å; F585-Y682 AromaticContact CE2-CD1 4Å; F585-Y682 HydrophobicContact CE2-CD1 4Å; F585-Y682 HydrophobicContact CE2-CD2 4.17Å; F585-Y682 AromaticContact CE2-CG 3.65Å; F585-Y682 HydrophobicContact CE2-CG 3.65Å; F585-Y682 HydrophobicContact CZ-CG 4.48Å; L623-Y682 WeakPolarHBondContact O-CE2 3.37Å; F624-Y682 AromaticContact CD1-CD2 3.89Å; F624-Y682 HydrophobicContact CD1-CD2 3.89Å; F624-Y682 AromaticContact CE1-CD2 3.71Å; F624-Y682 HydrophobicContact CE1-CD2 3.71Å; F624-Y682 HydrophobicContact CE1-CG 4.33Å; F624-Y682 HydrophobicContact CZ-CD2 4.14Å; L678-Y682 WeakPolarHBondContact O-CB 3.14Å; L678-Y682 PolarHBondContact O-N 2.86Å; W679-Y682 AromaticContact CE3-CD1 3.78Å; W679-Y682 HydrophobicContact CE3-CD1 3.78Å; W679-Y682 HydrophobicContact CH2-CD1 4.36Å; W679-Y682 AromaticContact CZ3-CD1 3.51Å; W679-Y682 HydrophobicContact CZ3-CD1 3.51Å; W679-Y682 AromaticContact CZ3-CE1 3.98Å; W679-Y682 HydrophobicContact CZ3-CE1 3.98Å; W679-Y682 PolarHBondContact O-N 3.2Å; G680-Y682 VanDerWaalsContact C-N 3.31Å; G680-Y682 PolarHBondContact O-N 3.02Å
683	R	88.8	Confident	92	Very high	112 Å²	112	52.9 Å²	52.9	42%	0.423	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	2.7	176.8	-68.8	-62.5	-58.3	-150.7	-3.6	113.9	W679 G680 Y681 N685 M688	W679-R683 HydrophobicContact CD2-CG 3.91Å; W679-R683 HydrophobicContact CE3-CG 4.3Å; W679-R683 HydrophobicContact CG-CG 4.48Å; W679-R683 HydrophobicContact CH2-CG 4.05Å; W679-R683 HydrophobicContact CZ2-CG 3.61Å; W679-R683 HydrophobicContact CZ3-CG 4.38Å; W679-R683 WeakPolarHBondContact O-CB 3.36Å; W679-R683 VanDerWaalsContact O-CG 3.27Å; W679-R683 WeakPolarHBondContact O-CG 3.07Å; W679-R683 PolarHBondContact O-N 3.35Å; G680-R683 CarbonylContact O-C 3.5Å; G680-R683 WeakPolarHBondContact O-CA 3.41Å; G680-R683 PolarHBondContact O-N 2.93Å; Y681-R683 VanDerWaalsContact C-N 3.28Å; Y681-R683 PolarHBondContact O-N 2.77Å; R683-N685 HydrophobicContact CB-CB 4.49Å; R683-N685 PolarHBondContact O-N 2.98Å; R683-M688 HydrophobicContact CB-CE 4.37Å
684	K	88.4	Confident	92.1	Very high	89 Å²	89	47.6 Å²	47.6	39%	0.387	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	37.7	-168.8	-51.4	-168.5	-173.7	-176.7	0	112.9	D111 I635 G680 Y681	D111-K684 IonicContact OD2-NZ 3.15Å; D111-K684 PolarHBondContact OD2-NZ 2.77Å; I635-K684 HydrophobicContact CD1-CD 3.68Å; I635-K684 HydrophobicContact CD1-CG 3.95Å; I635-K684 HydrophobicContact CG1-CD 4.26Å; G680-K684 PolarHBondContact O-N 3.19Å; Y681-K684 PolarHBondContact O-N 3.25Å
685	N	89	Confident	92.3	Very high	66 Å²	66	51.6 Å²	51.6	35%	0.353	25%	0.251	S	S	.	.			trans	-124.1	106.1	178.1	179	2.3	0	0	0	110.5	G680 R683 N687 M688	G680-N685 CarbonylContact C-O 3.17Å; G680-N685 VanDerWaalsContact C-O 3.25Å; G680-N685 WeakPolarHBondContact CA-O 3.35Å; G680-N685 PolarHBondContact O-N 3.42Å; R683-N685 HydrophobicContact CB-CB 4.49Å; R683-N685 PolarHBondContact O-N 2.98Å; N685-N687 VanDerWaalsContact C-N 3.3Å; N685-N687 PolarHBondContact O-N 3.4Å; N685-N687 PolarHBondContact OD1-N 3.21Å; N685-M688 HydrophobicContact CB-CE 4.33Å; N685-M688 WeakPolarHBondContact O-CB 3.29Å
686	V	87.2	Confident	92.3	Very high	72 Å²	72	53.6 Å²	53.6	44%	0.436	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-23.8	-179.3	-55.6	0	0	0	0	113.5	Q638 M688	Q638-V686 HydrophobicContact CG-CB 4.49Å; Q638-V686 HydrophobicContact CG-CG1 3.65Å; V686-M688 PolarHBondContact O-N 3.25Å
687	N	90.7	Very high	92.4	Very high	131 Å²	131	53.2 Å²	53.2	70%	0.701	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	19.4	-178	-64.1	-27.9	0	0	0	113	N685 T689	N685-N687 VanDerWaalsContact C-N 3.3Å; N685-N687 PolarHBondContact O-N 3.4Å; N685-N687 PolarHBondContact OD1-N 3.21Å; N687-T689 PolarHBondContact O-N 3.31Å; N687-T689 VanDerWaalsContact O-N 3.13Å
688	M	91.4	Very high	92.6	Very high	24 Å²	24	55.1 Å²	55.1	12%	0.118	27%	0.266	C	S	.	.			trans	-77.4	99.1	-175.2	-173.4	65.6	67.3	0	0	112.1	S676 R683 N685 V686 V693	S676-M688 CarbonylContact C-O 3.54Å; S676-M688 WeakPolarHBondContact CB-O 3.35Å; S676-M688 WeakPolarHBondContact O-CB 3.41Å; S676-M688 WeakPolarHBondContact O-CG 3.48Å; S676-M688 PolarHBondContact OG-O 3.28Å; R683-M688 HydrophobicContact CB-CE 4.37Å; N685-M688 HydrophobicContact CB-CE 4.33Å; N685-M688 WeakPolarHBondContact O-CB 3.29Å; V686-M688 PolarHBondContact O-N 3.25Å; M688-V693 HydrophobicContact CG-CG2 4.12Å; M688-V693 HydrophobicContact SD-CG2 4.12Å
689	T	95.8	Very high	92.7	Very high	66 Å²	66	59.6 Å²	59.6	41%	0.405	29%	0.29	S	S	.	.			trans	-83.9	158.6	174.4	70.5	0	0	0	0	111.8	N687 E691 S692 V693	N687-T689 PolarHBondContact O-N 3.31Å; N687-T689 VanDerWaalsContact O-N 3.13Å; T689-E691 PolarHBondContact O-N 2.83Å; T689-E691 WeakPolarHBondContact OG1-CB 3.16Å; T689-E691 PolarHBondContact OG1-N 3.42Å; T689-S692 PolarHBondContact O-N 3.4Å; T689-S692 PolarHBondContact OG1-N 3.27Å; T689-S692 PolarHBondContact OG1-OG 3.41Å; T689-V693 PolarHBondContact O-N 3.4Å
690	F	96.3	Very high	92.8	Very high	41 Å²	41	59.4 Å²	59.4	18%	0.18	29%	0.289	C	S	.	.	H	α-helix	trans	-63.4	-23.2	171.6	-178.4	-110.5	0	0	0	112.2	I669 P672 S676 V693 S694	I669-F690 HydrophobicContact CD1-CE2 3.85Å; I669-F690 HydrophobicContact CD1-CZ 4.22Å; I669-F690 HydrophobicContact CG2-CE2 4.03Å; P672-F690 HydrophobicContact CB-CB 3.93Å; P672-F690 HydrophobicContact CB-CD1 3.52Å; P672-F690 HydrophobicContact CB-CD2 3.44Å; P672-F690 VanDerWaalsContact CB-CD2 3.44Å; P672-F690 HydrophobicContact CB-CE1 3.82Å; P672-F690 HydrophobicContact CB-CE2 3.76Å; P672-F690 HydrophobicContact CB-CG 3.31Å; P672-F690 HydrophobicContact CB-CZ 3.93Å; S676-F690 VanDerWaalsContact CB-N 3.26Å; S676-F690 PolarHBondContact OG-N 2.94Å; F690-V693 HydrophobicContact CD2-CB 4.18Å; F690-V693 HydrophobicContact CD2-CG1 4.26Å; F690-V693 HydrophobicContact CE2-CG1 4.34Å; F690-V693 PolarHBondContact O-N 3.07Å; F690-S694 VanDerWaalsContact O-CB 3.3Å; F690-S694 WeakPolarHBondContact O-CB 3.39Å; F690-S694 PolarHBondContact O-N 3.49Å
691	E	96.1	Very high	92.9	Very high	143 Å²	143	63.1 Å²	63.1	67%	0.668	30%	0.303	S	S	*	.	H	α-helix	trans	-61.3	-49.9	172.6	-173.9	176.4	-167.7	0	0	111.1	T689 V693 S694 R695	T689-E691 PolarHBondContact O-N 2.83Å; T689-E691 WeakPolarHBondContact OG1-CB 3.16Å; T689-E691 PolarHBondContact OG1-N 3.42Å; E691-V693 VanDerWaalsContact C-N 3.33Å; E691-V693 PolarHBondContact O-N 3.44Å; E691-S694 CarbonylContact O-C 3.35Å; E691-S694 PolarHBondContact O-N 3.13Å; E691-S694 VanDerWaalsContact O-N 3.13Å; E691-S694 PolarHBondContact O-OG 3.19Å; E691-R695 WeakPolarHBondContact O-CB 3.38Å; E691-R695 PolarHBondContact O-N 3.11Å
692	S	95.3	Very high	93	Very high	53 Å²	53	65.4 Å²	65.4	37%	0.371	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-39.8	175.8	-51	0	0	0	0	112.5	T689 R695 S696	T689-S692 PolarHBondContact O-N 3.4Å; T689-S692 PolarHBondContact OG1-N 3.27Å; T689-S692 PolarHBondContact OG1-OG 3.41Å; S692-R695 PolarHBondContact O-N 3.28Å; S692-S696 PolarHBondContact O-N 3.15Å; S692-S696 VanDerWaalsContact O-N 3.11Å; S692-S696 PolarHBondContact O-OG 3.44Å
693	V	96.1	Very high	93.1	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-61.9	-49.2	171.7	177	0	0	0	0	110.6	L582 L675 W679 M688 T689 F690 E691 R695 S696 L697	L582-V693 HydrophobicContact CD1-CG1 4.18Å; L582-V693 HydrophobicContact CD2-CG1 3.96Å; L675-V693 HydrophobicContact CD2-CG1 4.16Å; W679-V693 HydrophobicContact CG-CG2 4.42Å; M688-V693 HydrophobicContact CG-CG2 4.12Å; M688-V693 HydrophobicContact SD-CG2 4.12Å; T689-V693 PolarHBondContact O-N 3.4Å; F690-V693 HydrophobicContact CD2-CB 4.18Å; F690-V693 HydrophobicContact CD2-CG1 4.26Å; F690-V693 HydrophobicContact CE2-CG1 4.34Å; F690-V693 PolarHBondContact O-N 3.07Å; E691-V693 VanDerWaalsContact C-N 3.33Å; E691-V693 PolarHBondContact O-N 3.44Å; V693-R695 VanDerWaalsContact C-N 3.3Å; V693-R695 PolarHBondContact O-N 3.26Å; V693-S696 CarbonylContact O-C 3.51Å; V693-S696 WeakPolarHBondContact O-CA 3.45Å; V693-S696 VanDerWaalsContact O-CB 3.3Å; V693-S696 WeakPolarHBondContact O-CB 3.33Å; V693-S696 PolarHBondContact O-N 2.62Å; V693-S696 VanDerWaalsContact O-N 3.09Å; V693-L697 HydrophobicContact CG1-CD1 4.32Å; V693-L697 HydrophobicContact CG1-CG 4.49Å; V693-L697 WeakPolarHBondContact O-CG 3.4Å; V693-L697 PolarHBondContact O-N 3.15Å
694	S	96.1	Very high	93.2	Very high	12 Å²	12	61.2 Å²	61.2	8%	0.084	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-36	179.1	87.7	0	0	0	0	112.2	F690 E691 S696 L697 R698	F690-S694 VanDerWaalsContact O-CB 3.3Å; F690-S694 WeakPolarHBondContact O-CB 3.39Å; F690-S694 PolarHBondContact O-N 3.49Å; E691-S694 CarbonylContact O-C 3.35Å; E691-S694 PolarHBondContact O-N 3.13Å; E691-S694 VanDerWaalsContact O-N 3.13Å; E691-S694 PolarHBondContact O-OG 3.19Å; S694-S696 VanDerWaalsContact C-N 3.26Å; S694-S696 PolarHBondContact O-N 3.32Å; S694-L697 PolarHBondContact O-N 2.96Å; S694-R698 VanDerWaalsContact O-CG 3.28Å; S694-R698 WeakPolarHBondContact O-CG 3.25Å; S694-R698 PolarHBondContact O-N 3.46Å; S694-R698 PolarHBondContact OG-NH2 2.89Å
695	R	95.1	Very high	93.4	Very high	131 Å²	131	61.4 Å²	61.4	49%	0.494	31%	0.312	S	S	.	.	H	α-helix	trans	-67.7	-30.5	176.8	-178.2	59.8	-172	86.6	-6.7	111.7	E691 S692 V693 L699	E691-R695 WeakPolarHBondContact O-CB 3.38Å; E691-R695 PolarHBondContact O-N 3.11Å; S692-R695 PolarHBondContact O-N 3.28Å; V693-R695 VanDerWaalsContact C-N 3.3Å; V693-R695 PolarHBondContact O-N 3.26Å; R695-L699 VanDerWaalsContact NH1-CD2 3.33Å
696	S	94.7	Very high	93.6	Very high	41 Å²	41	58.3 Å²	58.3	29%	0.287	30%	0.295	S	S	.	.	H	α-helix	trans	-73.9	-42.4	170.9	-52.4	0	0	0	0	111.2	S692 V693 S694 R698 L699	S692-S696 PolarHBondContact O-N 3.15Å; S692-S696 VanDerWaalsContact O-N 3.11Å; S692-S696 PolarHBondContact O-OG 3.44Å; V693-S696 CarbonylContact O-C 3.51Å; V693-S696 WeakPolarHBondContact O-CA 3.45Å; V693-S696 VanDerWaalsContact O-CB 3.3Å; V693-S696 WeakPolarHBondContact O-CB 3.33Å; V693-S696 PolarHBondContact O-N 2.62Å; V693-S696 VanDerWaalsContact O-N 3.09Å; S694-S696 VanDerWaalsContact C-N 3.26Å; S694-S696 PolarHBondContact O-N 3.32Å; S696-R698 VanDerWaalsContact C-N 3.29Å; S696-R698 PolarHBondContact O-N 3.27Å; S696-L699 VanDerWaalsContact O-CB 3.32Å; S696-L699 WeakPolarHBondContact O-CB 3.08Å; S696-L699 PolarHBondContact O-N 3.46Å
697	L	95.6	Very high	94	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.3	-36.6	174.7	-66.4	174.1	0	0	0	112.6	L582 I586 I669 V693 S694 L699 Y700 Y701 L706 Y716	L582-L697 HydrophobicContact CD2-CD2 3.89Å; L582-L697 HydrophobicContact CD2-CG 4.06Å; L582-L697 HydrophobicContact CG-CD2 4.33Å; I586-L697 HydrophobicContact CD1-CD2 3.75Å; I669-L697 HydrophobicContact CD1-CD1 3.59Å; V693-L697 HydrophobicContact CG1-CD1 4.32Å; V693-L697 HydrophobicContact CG1-CG 4.49Å; V693-L697 WeakPolarHBondContact O-CG 3.4Å; V693-L697 PolarHBondContact O-N 3.15Å; S694-L697 PolarHBondContact O-N 2.96Å; L697-L699 PolarHBondContact O-N 3.37Å; L697-Y700 HydrophobicContact CD2-CD2 4.09Å; L697-Y700 HydrophobicContact CD2-CE2 4.15Å; L697-Y700 WeakPolarHBondContact O-CB 3.35Å; L697-Y700 PolarHBondContact O-N 2.98Å; L697-Y700 VanDerWaalsContact O-N 3.08Å; L697-Y701 WeakPolarHBondContact O-CD1 3.4Å; L697-Y701 WeakPolarHBondContact O-CE1 3.46Å; L697-L706 HydrophobicContact CB-CD2 4.25Å; L697-L706 HydrophobicContact CD2-CD2 3.9Å; L697-Y716 HydrophobicContact CB-CE1 4.42Å; L697-Y716 HydrophobicContact CD1-CE1 4.18Å; L697-Y716 HydrophobicContact CD1-CE2 4.07Å
698	R	94.9	Very high	94.2	Very high	119 Å²	119	57.5 Å²	57.5	45%	0.449	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.7	174.3	-70.1	170.8	-139.9	-165.6	7.3	113.5	S694 S696 Y700 Y701	S694-R698 VanDerWaalsContact O-CG 3.28Å; S694-R698 WeakPolarHBondContact O-CG 3.25Å; S694-R698 PolarHBondContact O-N 3.46Å; S694-R698 PolarHBondContact OG-NH2 2.89Å; S696-R698 VanDerWaalsContact C-N 3.29Å; S696-R698 PolarHBondContact O-N 3.27Å; R698-Y700 VanDerWaalsContact C-N 3.29Å; R698-Y700 PolarHBondContact O-N 3.16Å; R698-Y701 HydrophobicContact CB-CD2 4.4Å; R698-Y701 HydrophobicContact CB-CE2 4.07Å; R698-Y701 HydrophobicContact CG-CE2 3.73Å; R698-Y701 PolarHBondContact O-N 3.13Å
699	L	93.7	Very high	94.3	Very high	95 Å²	95	57.6 Å²	57.6	50%	0.497	28%	0.277	S	S	.	.	H	α-helix	trans	-68.3	-30.7	176.4	-60.2	173.4	0	0	0	111.9	R695 S696 L697 Y701 V702 S703	R695-L699 VanDerWaalsContact NH1-CD2 3.33Å; S696-L699 VanDerWaalsContact O-CB 3.32Å; S696-L699 WeakPolarHBondContact O-CB 3.08Å; S696-L699 PolarHBondContact O-N 3.46Å; L697-L699 PolarHBondContact O-N 3.37Å; L699-Y701 PolarHBondContact O-N 2.8Å; L699-V702 PolarHBondContact O-N 3.48Å; L699-S703 PolarHBondContact O-N 3.24Å; L699-S703 VanDerWaalsContact O-N 3.09Å
700	Y	94.7	Very high	94.2	Very high	9 Å²	9	65.7 Å²	65.7	4%	0.035	30%	0.3	C	S	.	.	H	α-helix	trans	-73.3	-14.8	179.2	-58.9	-48.7	0	0	0	114	H581 L582 L583 L697 R698 G704 K705 L706	H581-Y700 AromaticContact CE1-CE1 3.5Å; H581-Y700 VanDerWaalsContact CE1-CE1 3.5Å; H581-Y700 WeakPolarHBondContact CE1-CE1 3.3Å; H581-Y700 AromaticContact CE1-CZ 3.75Å; H581-Y700 PolarHBondContact CE1-OH 2.9Å; H581-Y700 AromaticContact ND1-CE1 3.71Å; H581-Y700 AromaticContact ND1-CZ 3.86Å; H581-Y700 PolarHBondContact ND1-OH 3.01Å; H581-Y700 VanDerWaalsContact ND1-OH 3.11Å; H581-Y700 PolarHBondContact NE2-OH 3.38Å; L582-Y700 HydrophobicContact CB-CE2 4.37Å; L582-Y700 WeakPolarHBondContact CB-OH 3.35Å; L582-Y700 HydrophobicContact CD2-CE2 4.43Å; L582-Y700 HydrophobicContact CG-CE2 4.49Å; L582-Y700 PolarHBondContact N-OH 3.18Å; L583-Y700 HydrophobicContact CB-CD2 4.32Å; L583-Y700 HydrophobicContact CB-CE1 4.07Å; L583-Y700 HydrophobicContact CB-CE2 3.76Å; L583-Y700 HydrophobicContact CD1-CD2 4.17Å; L583-Y700 HydrophobicContact CD1-CE2 4.33Å; L583-Y700 HydrophobicContact CD2-CD1 4.41Å; L583-Y700 PolarHBondContact N-OH 3.32Å; L583-Y700 VanDerWaalsContact N-OH 3.12Å; L697-Y700 HydrophobicContact CD2-CD2 4.09Å; L697-Y700 HydrophobicContact CD2-CE2 4.15Å; L697-Y700 WeakPolarHBondContact O-CB 3.35Å; L697-Y700 PolarHBondContact O-N 2.98Å; L697-Y700 VanDerWaalsContact O-N 3.08Å; R698-Y700 VanDerWaalsContact C-N 3.29Å; R698-Y700 PolarHBondContact O-N 3.16Å; Y700-G704 PolarHBondContact O-N 3.42Å; Y700-K705 PolarHBondContact O-N 3.5Å; Y700-L706 CarbonylContact C-O 3.58Å; Y700-L706 VanDerWaalsContact CB-CB 3.43Å; Y700-L706 HydrophobicContact CD2-CD2 4.37Å; Y700-L706 HydrophobicContact CG-CB 4.37Å; Y700-L706 PolarHBondContact O-N 3.26Å; Y700-L706 VanDerWaalsContact O-N 3.08Å
701	Y	94.3	Very high	93.9	Very high	78 Å²	78	67.7 Å²	67.7	31%	0.306	33%	0.332	S	S	.	.	H	α-helix	trans	-67.5	-50.9	171.1	-48.3	-11.5	0	0	0	109.5	L697 R698 L699 S703 G704 L706 R708 Y716	L697-Y701 WeakPolarHBondContact O-CD1 3.4Å; L697-Y701 WeakPolarHBondContact O-CE1 3.46Å; R698-Y701 HydrophobicContact CB-CD2 4.4Å; R698-Y701 HydrophobicContact CB-CE2 4.07Å; R698-Y701 HydrophobicContact CG-CE2 3.73Å; R698-Y701 PolarHBondContact O-N 3.13Å; L699-Y701 PolarHBondContact O-N 2.8Å; Y701-S703 VanDerWaalsContact C-N 3.33Å; Y701-S703 PolarHBondContact O-N 3.23Å; Y701-G704 PolarHBondContact O-N 2.95Å; Y701-L706 VanDerWaalsContact CA-O 3.23Å; Y701-L706 WeakPolarHBondContact CA-O 3.42Å; Y701-L706 WeakPolarHBondContact CD1-O 3.49Å; Y701-L706 HydrophobicContact CE1-CD2 4.41Å; Y701-L706 PolarHBondContact N-O 3.26Å; Y701-R708 HydrophobicContact CE1-CB 3.91Å; Y701-R708 HydrophobicContact CE2-CB 4.24Å; Y701-Y716 HydrophobicContact CE1-CD1 4.32Å; Y701-Y716 HydrophobicContact CE1-CE1 4.35Å
702	V	90.1	Very high	93.8	Very high	77 Å²	77	65.2 Å²	65.2	47%	0.467	32%	0.321	S	S	.	.	H	α-helix	trans	-65.9	-37.9	178	-172.8	0	0	0	0	110.8	Q459 L699 G704	Q459-V702 HydrophobicContact CB-CG1 4.4Å; Q459-V702 HydrophobicContact CG-CG1 4.4Å; L699-V702 PolarHBondContact O-N 3.48Å; V702-G704 PolarHBondContact O-N 2.81Å
703	S	90.1	Very high	93.7	Very high	33 Å²	33	73.1 Å²	73.1	23%	0.231	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	4.3	178.9	92.9	0	0	0	0	114.6	M516 L699 Y701 K705	M516-S703 WeakPolarHBondContact CE-O 3.19Å; L699-S703 PolarHBondContact O-N 3.24Å; L699-S703 VanDerWaalsContact O-N 3.09Å; Y701-S703 VanDerWaalsContact C-N 3.33Å; Y701-S703 PolarHBondContact O-N 3.23Å; S703-K705 VanDerWaalsContact C-N 3.29Å; S703-K705 PolarHBondContact O-N 3.02Å
704	G	91.4	Very high	93.6	Very high	5 Å²	5	75.3 Å²	75.3	5%	0.052	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	30.1	179.3	0	0	0	0	0	115.1	Q456 Y700 Y701 V702 L719	Q456-G704 PolarHBondContact OE1-O 3.32Å; Y700-G704 PolarHBondContact O-N 3.42Å; Y701-G704 PolarHBondContact O-N 2.95Å; V702-G704 PolarHBondContact O-N 2.81Å; G704-L719 VanDerWaalsContact C-CD1 3.42Å; G704-L719 WeakPolarHBondContact O-CB 3.42Å
705	K	91.9	Very high	93.6	Very high	94 Å²	94	75.3 Å²	75.3	41%	0.409	35%	0.353	S	S	.	.	S	Bend	trans	-111.1	-23.6	178.8	-63.2	-167.3	-179.1	-144.3	0	114.4	L583 Y700 S703 L719	L583-K705 HydrophobicContact CD2-CB 3.65Å; L583-K705 HydrophobicContact CD2-CD 4.14Å; L583-K705 HydrophobicContact CD2-CG 4.48Å; Y700-K705 PolarHBondContact O-N 3.5Å; S703-K705 VanDerWaalsContact C-N 3.29Å; S703-K705 PolarHBondContact O-N 3.02Å; K705-L719 PolarHBondContact O-N 2.79Å
706	L	94.7	Very high	93.7	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	140.5	-179.7	-164.1	80.3	0	0	0	110	L583 F667 L697 Y700 Y701 Y716 R717	L583-L706 HydrophobicContact CD1-CD1 3.97Å; F667-L706 HydrophobicContact CE1-CD1 3.43Å; F667-L706 VanDerWaalsContact CE1-CD1 3.43Å; F667-L706 HydrophobicContact CZ-CD1 3.57Å; F667-L706 HydrophobicContact CZ-CD2 4.41Å; L697-L706 HydrophobicContact CB-CD2 4.25Å; L697-L706 HydrophobicContact CD2-CD2 3.9Å; Y700-L706 CarbonylContact C-O 3.58Å; Y700-L706 VanDerWaalsContact CB-CB 3.43Å; Y700-L706 HydrophobicContact CD2-CD2 4.37Å; Y700-L706 HydrophobicContact CG-CB 4.37Å; Y700-L706 PolarHBondContact O-N 3.26Å; Y700-L706 VanDerWaalsContact O-N 3.08Å; Y701-L706 VanDerWaalsContact CA-O 3.23Å; Y701-L706 WeakPolarHBondContact CA-O 3.42Å; Y701-L706 WeakPolarHBondContact CD1-O 3.49Å; Y701-L706 HydrophobicContact CE1-CD2 4.41Å; Y701-L706 PolarHBondContact N-O 3.26Å; L706-Y716 HydrophobicContact CD2-CD1 3.68Å; L706-Y716 HydrophobicContact CD2-CE1 4.47Å; L706-Y716 HydrophobicContact CD2-CG 3.99Å; L706-Y716 HydrophobicContact CG-CD1 4.35Å; L706-R717 CarbonylContact C-O 3.52Å; L706-R717 VanDerWaalsContact CA-O 3.25Å; L706-R717 WeakPolarHBondContact CA-O 3.07Å; L706-R717 VanDerWaalsContact CD1-O 3.24Å; L706-R717 WeakPolarHBondContact CD1-O 3.19Å
707	E	94.5	Very high	93.7	Very high	40 Å²	40	68.2 Å²	68.2	19%	0.187	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.9	167.8	179.7	-146.6	110.3	0	0	110.5	R453 Q454 R717 L719	R453-E707 IonicContact CZ-OE1 2.75Å; R453-E707 IonicContact CZ-OE2 2.74Å; R453-E707 IonicContact NH1-OE1 2.71Å; R453-E707 PolarHBondContact NH1-OE1 2.87Å; R453-E707 IonicContact NH1-OE2 3.42Å; R453-E707 PolarHBondContact NH1-OE2 3.44Å; R453-E707 IonicContact NH2-OE1 3.8Å; R453-E707 IonicContact NH2-OE2 3.69Å; R453-E707 PolarHBondContact NH2-OE2 3.02Å; Q454-E707 VanDerWaalsContact CD-OE1 3.29Å; Q454-E707 HydrophobicContact CG-CB 4.48Å; Q454-E707 VanDerWaalsContact CG-CD 3.49Å; Q454-E707 WeakPolarHBondContact CG-OE1 3.38Å; Q454-E707 VanDerWaalsContact CG-OE2 3.3Å; Q454-E707 WeakPolarHBondContact CG-OE2 3.18Å; Q454-E707 PolarHBondContact NE2-O 3.3Å; Q454-E707 PolarHBondContact NE2-OE1 3.17Å; E707-R717 PolarHBondContact N-O 2.84Å; E707-R717 PolarHBondContact O-N 3.21Å; E707-R717 VanDerWaalsContact O-N 3.08Å; E707-L719 HydrophobicContact CB-CD1 4.22Å; E707-L719 HydrophobicContact CB-CD2 4.14Å; E707-L719 HydrophobicContact CB-CG 4.38Å
708	R	94.8	Very high	93.6	Very high	146 Å²	146	68.4 Å²	68.4	55%	0.551	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	132.9	178.9	174.4	-162.9	167.8	-170.8	-0.6	110.9	Y701 Y716	Y701-R708 HydrophobicContact CE1-CB 3.91Å; Y701-R708 HydrophobicContact CE2-CB 4.24Å; R708-Y716 HydrophobicContact CB-CD1 4Å; R708-Y716 HydrophobicContact CB-CE1 4.13Å; R708-Y716 HydrophobicContact CG-CD1 4.42Å; R708-Y716 HydrophobicContact CG-CE1 4.24Å
709	I	94.8	Very high	93.4	Very high	27 Å²	27	63.7 Å²	63.7	14%	0.138	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-75.1	132.5	179.3	-56.2	-167.6	0	0	0	110.6	I666 Q712 Q715	I666-I709 HydrophobicContact CB-CD1 4.36Å; I666-I709 HydrophobicContact CD1-CD1 3.62Å; I666-I709 HydrophobicContact CG1-CD1 4.01Å; I666-I709 HydrophobicContact CG2-CD1 3.47Å; I666-I709 VanDerWaalsContact CG2-CD1 3.47Å; I709-Q712 HydrophobicContact CB-CB 4.2Å; I709-Q712 HydrophobicContact CG2-CB 3.85Å; I709-Q712 HydrophobicContact CG2-CG 3.89Å; I709-Q715 HydrophobicContact CB-CB 4.09Å; I709-Q715 HydrophobicContact CD1-CB 4.11Å; I709-Q715 HydrophobicContact CG1-CB 4.26Å; I709-Q715 PolarHBondContact N-O 3.41Å
710	R	93.1	Very high	92.8	Very high	235 Å²	235	61.9 Å²	61.9	89%	0.887	30%	0.295	S	S	*	.	S	Bend	trans	-74.6	148.9	174.8	-65.8	-177.4	179.8	173.2	-1.7	110.2	Q712	R710-Q712 PolarHBondContact O-N 3.49Å
711	G	91.1	Very high	91.7	Very high	84 Å²	84	67.7 Å²	67.7	87%	0.866	33%	0.325	S	S	*	.	S	Bend	trans	71.3	-29	-172.5	0	0	0	0	0	115.3
712	Q	93	Very high	90.3	Very high	91 Å²	91	70.4 Å²	70.4	43%	0.425	35%	0.345	S	S	.	.			trans	-99.4	129.4	-172	-65.3	-65.1	-20.6	0	0	113.6	I709 R710 Q715	I709-Q712 HydrophobicContact CB-CB 4.2Å; I709-Q712 HydrophobicContact CG2-CB 3.85Å; I709-Q712 HydrophobicContact CG2-CG 3.89Å; R710-Q712 PolarHBondContact O-N 3.49Å; Q712-Q715 HydrophobicContact CB-CB 3.87Å; Q712-Q715 VanDerWaalsContact CB-CD 3.46Å; Q712-Q715 HydrophobicContact CB-CG 3.93Å; Q712-Q715 VanDerWaalsContact OE1-NE2 3.08Å
713	R	93.6	Very high	88.4	Confident	218 Å²	218	68.8 Å²	68.8	82%	0.823	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	134.5	177.6	-64	-176.6	-177.1	179.4	1.9	110.6	Q715	R713-Q715 PolarHBondContact O-N 2.91Å; R713-Q715 VanDerWaalsContact O-N 3.11Å
714	N	94.7	Very high	88.3	Confident	46 Å²	46	70.6 Å²	70.6	25%	0.246	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	56	20.3	178.6	-64.3	-4.9	0	0	0	116.1	Q668 I669 Y716	Q668-N714 WeakPolarHBondContact CA-O 3.49Å; I669-N714 HydrophobicContact CB-CB 4.19Å; I669-N714 PolarHBondContact N-O 3.2Å; I669-N714 WeakPolarHBondContact O-CB 3.47Å; I669-N714 PolarHBondContact O-ND2 3.05Å; N714-Y716 VanDerWaalsContact C-CE2 3.47Å; N714-Y716 WeakPolarHBondContact O-CD2 3.36Å; N714-Y716 WeakPolarHBondContact O-CE2 3.45Å
715	Q	95.9	Very high	88.2	Confident	13 Å²	13	74.1 Å²	74.1	6%	0.061	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	136.8	176.6	-65.4	-176.2	16.8	0	0	112	I660 F667 Q668 I709 Q712 R713	I660-Q715 HydrophobicContact CD1-CG 3.58Å; I660-Q715 VanDerWaalsContact CD1-NE2 3.3Å; F667-Q715 WeakPolarHBondContact O-CA 3.42Å; Q668-Q715 HydrophobicContact CB-CG 4.08Å; Q668-Q715 HydrophobicContact CG-CG 3.85Å; I709-Q715 HydrophobicContact CB-CB 4.09Å; I709-Q715 HydrophobicContact CD1-CB 4.11Å; I709-Q715 HydrophobicContact CG1-CB 4.26Å; I709-Q715 PolarHBondContact N-O 3.41Å; Q712-Q715 HydrophobicContact CB-CB 3.87Å; Q712-Q715 VanDerWaalsContact CB-CD 3.46Å; Q712-Q715 HydrophobicContact CB-CG 3.93Å; Q712-Q715 VanDerWaalsContact OE1-NE2 3.08Å; R713-Q715 PolarHBondContact O-N 2.91Å; R713-Q715 VanDerWaalsContact O-N 3.11Å
716	Y	96.2	Very high	88	Confident	11 Å²	11	72.9 Å²	72.9	4%	0.043	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	161.4	-175.6	-51.2	-94.3	0	0	0	109.7	I666 F667 I669 L697 Y701 L706 R708 N714	I666-Y716 WeakPolarHBondContact CA-O 3.43Å; F667-Y716 HydrophobicContact CD2-CD2 4.42Å; F667-Y716 AromaticContact CE2-CD2 3.84Å; F667-Y716 HydrophobicContact CE2-CD2 3.84Å; F667-Y716 HydrophobicContact CE2-CG 4.24Å; F667-Y716 HydrophobicContact CZ-CD2 4.34Å; F667-Y716 HydrophobicContact CZ-CG 4.28Å; F667-Y716 PolarHBondContact N-O 2.83Å; F667-Y716 PolarHBondContact O-N 3.24Å; F667-Y716 VanDerWaalsContact O-O 3.1Å; I669-Y716 HydrophobicContact CD1-CD2 4.12Å; I669-Y716 HydrophobicContact CD1-CE2 3.58Å; I669-Y716 HydrophobicContact CG1-CD2 4.41Å; I669-Y716 HydrophobicContact CG1-CE2 4.16Å; L697-Y716 HydrophobicContact CB-CE1 4.42Å; L697-Y716 HydrophobicContact CD1-CE1 4.18Å; L697-Y716 HydrophobicContact CD1-CE2 4.07Å; Y701-Y716 HydrophobicContact CE1-CD1 4.32Å; Y701-Y716 HydrophobicContact CE1-CE1 4.35Å; L706-Y716 HydrophobicContact CD2-CD1 3.68Å; L706-Y716 HydrophobicContact CD2-CE1 4.47Å; L706-Y716 HydrophobicContact CD2-CG 3.99Å; L706-Y716 HydrophobicContact CG-CD1 4.35Å; R708-Y716 HydrophobicContact CB-CD1 4Å; R708-Y716 HydrophobicContact CB-CE1 4.13Å; R708-Y716 HydrophobicContact CG-CD1 4.42Å; R708-Y716 HydrophobicContact CG-CE1 4.24Å; N714-Y716 VanDerWaalsContact C-CE2 3.47Å; N714-Y716 WeakPolarHBondContact O-CD2 3.36Å; N714-Y716 WeakPolarHBondContact O-CE2 3.45Å
717	R	94.9	Very high	87.6	Confident	12 Å²	12	77.2 Å²	77.2	5%	0.045	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.7	171.1	160.5	-175.1	-12.7	-126.7	-0.8	111.5	S452 R453 Q454 A664 R665 I666 L706 E707	S452-R717 PolarHBondContact OG-NH1 2.73Å; R453-R717 WeakPolarHBondContact O-CD 3.24Å; R453-R717 PolarHBondContact O-NE 2.81Å; R453-R717 PolarHBondContact O-NH1 2.86Å; Q454-R717 VanDerWaalsContact CD-CD 3.45Å; A664-R717 WeakPolarHBondContact O-CD 3.22Å; A664-R717 WeakPolarHBondContact O-CG 3.38Å; A664-R717 PolarHBondContact O-NH1 3.23Å; R665-R717 HydrophobicContact CB-CG 4.3Å; R665-R717 VanDerWaalsContact O-CA 3.25Å; R665-R717 WeakPolarHBondContact O-CA 3.2Å; I666-R717 HydrophobicContact CG1-CB 4.24Å; L706-R717 CarbonylContact C-O 3.52Å; L706-R717 VanDerWaalsContact CA-O 3.25Å; L706-R717 WeakPolarHBondContact CA-O 3.07Å; L706-R717 VanDerWaalsContact CD1-O 3.24Å; L706-R717 WeakPolarHBondContact CD1-O 3.19Å; E707-R717 PolarHBondContact N-O 2.84Å; E707-R717 PolarHBondContact O-N 3.21Å; E707-R717 VanDerWaalsContact O-N 3.08Å
718	F	94.5	Very high	87.2	Confident	4 Å²	4	79.6 Å²	79.6	2%	0.018	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	126.6	166.1	-62.2	-93.8	0	0	0	111.1	L583 I586 L590 W659 R665 F667 A723	L583-F718 HydrophobicContact CD1-CD1 3.77Å; L583-F718 HydrophobicContact CD1-CE1 3.42Å; L583-F718 VanDerWaalsContact CD1-CE1 3.42Å; L583-F718 HydrophobicContact CD1-CZ 4.35Å; L583-F718 HydrophobicContact CD2-CD1 4.46Å; L583-F718 HydrophobicContact CG-CD1 4.14Å; L583-F718 HydrophobicContact CG-CE1 3.76Å; I586-F718 HydrophobicContact CG2-CZ 4.22Å; L590-F718 HydrophobicContact CD1-CE2 3.6Å; L590-F718 HydrophobicContact CD1-CZ 3.94Å; W659-F718 AromaticContact CH2-CD2 3.71Å; W659-F718 HydrophobicContact CH2-CD2 3.71Å; W659-F718 AromaticContact CH2-CE2 3.5Å; W659-F718 HydrophobicContact CH2-CE2 3.5Å; W659-F718 HydrophobicContact CZ2-CE2 4.46Å; W659-F718 AromaticContact CZ3-CD2 3.81Å; W659-F718 HydrophobicContact CZ3-CD2 3.81Å; W659-F718 AromaticContact CZ3-CE2 3.81Å; W659-F718 HydrophobicContact CZ3-CE2 3.81Å; R665-F718 HydrophobicContact CB-CB 4.27Å; R665-F718 VanDerWaalsContact CZ-O 3.31Å; R665-F718 PolarHBondContact NH1-O 3.45Å; R665-F718 PolarHBondContact O-N 3.06Å; F667-F718 AromaticContact CD1-CD2 3.66Å; F667-F718 HydrophobicContact CD1-CD2 3.66Å; F667-F718 AromaticContact CD1-CE2 3.25Å; F667-F718 HydrophobicContact CD1-CE2 3.25Å; F667-F718 HydrophobicContact CD1-CZ 4.05Å; F667-F718 AromaticContact CE1-CD2 3.67Å; F667-F718 HydrophobicContact CE1-CD2 3.67Å; F667-F718 HydrophobicContact CE1-CE1 4.36Å; F667-F718 AromaticContact CE1-CE2 3.29Å; F667-F718 HydrophobicContact CE1-CE2 3.29Å; F667-F718 HydrophobicContact CE1-CG 4.35Å; F667-F718 AromaticContact CE1-CZ 3.69Å; F667-F718 HydrophobicContact CE1-CZ 3.69Å; F667-F718 HydrophobicContact CG-CE2 4.34Å; F667-F718 HydrophobicContact CZ-CE2 4.43Å; F667-F718 HydrophobicContact CZ-CZ 4.5Å; F718-A723 HydrophobicContact CB-CB 4.38Å; F718-A723 HydrophobicContact CD1-CB 3.54Å; F718-A723 HydrophobicContact CE1-CB 4.12Å; F718-A723 HydrophobicContact CG-CB 4.25Å
719	L	90.7	Very high	86.6	Confident	20 Å²	20	75.1 Å²	75.1	11%	0.105	38%	0.381	C	S	.	.			trans	-82.1	-40.6	177.7	-66.5	171	0	0	0	111.7	Q454 Q456 R665 G704 K705 E707	Q454-L719 HydrophobicContact CB-CD2 3.45Å; Q454-L719 VanDerWaalsContact CB-CD2 3.45Å; Q454-L719 HydrophobicContact CG-CD2 4.31Å; Q454-L719 VanDerWaalsContact OE1-CD2 3.31Å; Q456-L719 HydrophobicContact CG-CD1 4.45Å; R665-L719 PolarHBondContact NH1-O 2.73Å; R665-L719 PolarHBondContact NH2-O 2.83Å; G704-L719 VanDerWaalsContact C-CD1 3.42Å; G704-L719 WeakPolarHBondContact O-CB 3.42Å; K705-L719 PolarHBondContact O-N 2.79Å; E707-L719 HydrophobicContact CB-CD1 4.22Å; E707-L719 HydrophobicContact CB-CD2 4.14Å; E707-L719 HydrophobicContact CB-CG 4.38Å
720	D	81.1	Confident	86.1	Confident	56 Å²	56	78.6 Å²	78.6	30%	0.299	40%	0.398	S	S	.	.	S	Bend	trans	-75.6	137.2	178.5	-170	-15.7	0	0	0	111.1	R665 N722 A723	R665-D720 PolarHBondContact NH1-O 3.45Å; D720-N722 PolarHBondContact O-N 3.14Å; D720-N722 PolarHBondContact OD1-N 3.38Å; D720-N722 PolarHBondContact OD1-ND2 3.2Å; D720-A723 HydrophobicContact CB-CB 4.39Å
721	I	71.3	Confident	85.5	Confident	131 Å²	131	66.5 Å²	66.5	67%	0.672	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-17.2	-179.3	-62.5	173.2	0	0	0	110.8
722	N	63.9	Low	85.1	Confident	136 Å²	136	65.1 Å²	65.1	73%	0.727	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	22.1	-170.5	-45	-84.8	0	0	0	113.9	D720	D720-N722 PolarHBondContact O-N 3.14Å; D720-N722 PolarHBondContact OD1-N 3.38Å; D720-N722 PolarHBondContact OD1-ND2 3.2Å
723	A	51.1	Low	84.3	Confident	43 Å²	43	62.7 Å²	62.7	36%	0.355	31%	0.309	S	S	.	.			trans	-93	0	-169.8	0	0	0	0	0	115.5	S587 F718 D720	S587-A723 WeakPolarHBondContact CB-OXT 3.18Å; S587-A723 PolarHBondContact OG-O 2.97Å; S587-A723 PolarHBondContact OG-OXT 3.3Å; F718-A723 HydrophobicContact CB-CB 4.38Å; F718-A723 HydrophobicContact CD1-CB 3.54Å; F718-A723 HydrophobicContact CE1-CB 4.12Å; F718-A723 HydrophobicContact CG-CB 4.25Å; D720-A723 HydrophobicContact CB-CB 4.39Å

Retrieved 723 of 723 residues in 813.2 ms (Link to these results)

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