SSY4_ARATH Loading...

Probable starch synthase 4, chloroplastic/amyloplastic

Probably involved in the priming of starch granule formation. May play a regulatory role in the control of starch accumulation in plastids. Is necessary and sufficient to establish the correct number of starch granules observed in chloroplasts.

AlphaFold DB , UniProt , Accession Q0WVX5, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene SS4, Length 1,040 aa.

						>SSY4_ARATH|Q0WVX5|SS4
MTTKLSSFCFLTHGLAGISCEREHGSSRRFFYLPSRRLVSTSCKMRQQRGFDSSKRQEVKKGSPKPILSINSGLQSNNDEESDLENGSADSVPSLKSDAEKGSSIHGSIDMNHADENLEKKDDIQTTEVTRRKSKTAKKKGESIHATIDIGHDDGKNLDNITVPEVAKALSLNKSEGEQISDGQFGELMTMIRSAEKNILRLDEARATALDDLNKILSDKEALQGEINVLEMKLSETDERIKTAAQEKAHVELLEEQLEKLRHEMISPIESDGYVLALSKELETLKLENLSLRNDIEMLKSELDSVKDTGERVVVLEKECSGLESSVKDLESKLSVSQEDVSQLSTLKIECTDLWAKVETLQLLLDRATKQAEQAVIVLQQNQDLRNKVDKIEESLKEANVYKESSEKIQQYNELMQHKVTLLEERLEKSDAEIFSYVQLYQESIKEFQETLESLKEESKKKSRDEPVDDMPWDYWSRLLLTVDGWLLEKKIASNDADLLRDMVWKKDRRIHDTYIDVKDKNERDAISAFLKLVSSPTSSGLYVVHIAAEMAPVAKVGGLGDVVAGLGKALQRKGHLVEIILPKYDCMQYDRVRDLRALDTVVESYFDGKLYKNKIWIGTVEGLPVHFIEPQHPSKFFWRGQFYGEQDDFRRFSYFSRAALELLLQSGKKPDIIHCHDWQTAFVAPLYWDLYAPKGLDSARICFTCHNFEYQGTASASELGSCGLDVNQLNRPDRMQDHSSGDRVNPVKGAIIFSNIVTTVSPTYAQEVRTAEGGKGLHSTLNFHSKKFIGILNGIDTDSWNPATDPFLKAQFNAKDLQGKEENKHALRKQLGLSSAESRRPLVGCITRLVPQKGVHLIRHAIYRTLELGGQFVLLGSSPVPHIQREFEGIEQQFKSHDHVRLLLKYDEALSHTIYAASDLFIIPSIFEPCGLTQMIAMRYGSIPIARKTGGLNDSVFDIDDDTIPTQFQNGFTFQTADEQGFNYALERAFNHYKKDEEKWMRLVEKVMSIDFSWGSSATQYEELYTRSVSRARAVPNRT
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.6	Very low	32.3	Very low	231 Å²	231	144.1 Å²	144.1	100%	1.138	78%	0.775	S	S	*	*				0	81.8	0	-57.1	166.7	-174.3	0	0	105.9
2	T	30	Very low	31.8	Very low	125 Å²	125	140.3 Å²	140.3	77%	0.767	76%	0.761	S	S	*	*			cis	58.4	86.8	27.9	51.5	0	0	0	0	115
3	T	35	Very low	31.6	Very low	119 Å²	119	144 Å²	144	73%	0.73	77%	0.77	S	S	*	*				45.7	124.4	122.5	44.6	0	0	0	0	120.6
4	K	30.8	Very low	31.6	Very low	189 Å²	189	139.1 Å²	139.1	82%	0.822	77%	0.77	S	S	*	*				-163.1	139.8	120.2	-96.2	148	-178.6	-169.6	0	108.2
5	L	34.8	Very low	31.7	Very low	145 Å²	145	141.6 Å²	141.6	76%	0.759	78%	0.78	S	S	*	*				66.7	143.5	56.5	-67.7	159.3	0	0	0	110.5
6	S	37.8	Very low	32	Very low	70 Å²	70	139.5 Å²	139.5	49%	0.49	79%	0.787	S	S	.	*			cis	177.3	164	8.7	32.5	0	0	0	0	111.7	F8	S6-F8 WeakPolarHBondContact OG-CD2 3.36Å; S6-F8 VanDerWaalsContact OG-CE2 3.24Å; S6-F8 WeakPolarHBondContact OG-CE2 3.49Å
7	S	27.9	Very low	32.1	Very low	122 Å²	122	135.5 Å²	135.5	85%	0.853	78%	0.784	S	S	*	*			trans	-113.7	130.5	137.5	-101.9	0	0	0	0	106.2
8	F	29.7	Very low	32.2	Very low	145 Å²	145	137 Å²	137	64%	0.636	79%	0.787	S	S	*	*			cis	59.8	133	26.4	-74	-73.2	0	0	0	114.4	S6 F10	S6-F8 WeakPolarHBondContact OG-CD2 3.36Å; S6-F8 VanDerWaalsContact OG-CE2 3.24Å; S6-F8 WeakPolarHBondContact OG-CE2 3.49Å; F8-F10 HydrophobicContact CD1-CD2 4.23Å; F8-F10 HydrophobicContact CE1-CD2 4.14Å
9	C	24.7	Very low	32	Very low	109 Å²	109	134.8 Å²	134.8	74%	0.736	78%	0.781	S	S	*	*			cis	-113.1	145.3	-2	-74.1	0	0	0	0	110.4
10	F	27	Very low	31.9	Very low	154 Å²	154	133.5 Å²	133.5	68%	0.675	78%	0.778	S	S	*	*				48.3	83.8	75.7	-94.9	-79.1	0	0	0	113.6	F8 T12	F8-F10 HydrophobicContact CD1-CD2 4.23Å; F8-F10 HydrophobicContact CE1-CD2 4.14Å; F10-T12 PolarHBondContact O-N 3.14Å
11	L	34	Very low	32	Very low	176 Å²	176	133.4 Å²	133.4	92%	0.921	77%	0.77	S	S	*	*	S	Bend	trans	-81.6	64.8	163	-132.2	178.4	0	0	0	110.6
12	T	26.9	Very low	31.4	Very low	98 Å²	98	131.5 Å²	131.5	60%	0.601	75%	0.75	S	S	*	*	S	Bend	trans	-130.9	69.7	159.1	57.4	0	0	0	0	108.4	F10	F10-T12 PolarHBondContact O-N 3.14Å
13	H	28.8	Very low	31.6	Very low	189 Å²	189	132.1 Å²	132.1	88%	0.875	75%	0.745	S	S	*	*	S	Bend	trans	63	116.8	173	-52.1	-83.7	0	0	0	119
14	G	31.1	Very low	31.4	Very low	75 Å²	75	135.2 Å²	135.2	77%	0.773	75%	0.75	S	S	*	*			trans	118.6	108.8	138.1	0	0	0	0	0	121.3
15	L	33	Very low	31.6	Very low	177 Å²	177	130 Å²	130	93%	0.927	75%	0.75	S	S	*	*			trans	54.6	107.2	135.1	-62.8	166.7	0	0	0	123.6
16	A	36.5	Very low	31.5	Very low	108 Å²	108	128.3 Å²	128.3	89%	0.893	75%	0.751	S	S	*	*				64.9	133.3	129.4	0	0	0	0	0	125.2
17	G	34	Very low	31.1	Very low	71 Å²	71	129.9 Å²	129.9	73%	0.732	76%	0.762	S	S	*	*			trans	139.1	80.8	133.3	0	0	0	0	0	124.4
18	I	33.9	Very low	31.4	Very low	163 Å²	163	136.1 Å²	136.1	84%	0.836	77%	0.767	S	S	*	*				66.3	106.1	126.2	-62.7	170.6	0	0	0	123.7
19	S	29.5	Very low	31.4	Very low	96 Å²	96	139.4 Å²	139.4	67%	0.671	78%	0.775	S	S	*	*				69.5	145.4	127.1	87	0	0	0	0	128.6
20	C	29.4	Very low	31.8	Very low	108 Å²	108	143.8 Å²	143.8	73%	0.73	78%	0.782	S	S	*	*			trans	72.6	155.6	143.1	-67.2	0	0	0	0	120.6
21	E	33.9	Very low	32.1	Very low	131 Å²	131	143.1 Å²	143.1	61%	0.612	78%	0.779	S	S	*	*			cis	-168.7	152.3	-11.3	-112.4	-174.2	144.7	0	0	113.2
22	R	30.3	Very low	32.1	Very low	191 Å²	191	144.3 Å²	144.3	72%	0.721	77%	0.772	S	S	*	*			trans	50.2	-178.4	146.3	-52.4	-171	-153.3	-174.7	8.5	120.8
23	E	34	Very low	32.5	Very low	138 Å²	138	146.1 Å²	146.1	65%	0.645	78%	0.778	S	S	*	*			cis	-152.2	157.9	-5.5	-138.6	159.5	-128.5	0	0	113.9
24	H	32.1	Very low	33	Very low	184 Å²	184	142.5 Å²	142.5	85%	0.852	77%	0.771	S	S	*	*			trans	0.2	157	158.3	-66.6	-2.7	0	0	0	129.2
25	G	33.6	Very low	33	Very low	79 Å²	79	143.9 Å²	143.9	81%	0.814	77%	0.769	S	S	*	*			trans	116.7	150.7	144.5	0	0	0	0	0	117.5
26	S	33.4	Very low	33.1	Very low	111 Å²	111	146.5 Å²	146.5	78%	0.776	77%	0.767	S	S	*	*			cis	-164.8	141.7	-16.2	-172.3	0	0	0	0	113.3
27	S	30.4	Very low	33	Very low	103 Å²	103	153 Å²	153	72%	0.72	77%	0.768	S	S	*	*			trans	35.3	131.9	147.7	-50.6	0	0	0	0	123.9
28	R	33.9	Very low	33	Very low	252 Å²	252	157.2 Å²	157.2	95%	0.951	77%	0.773	S	S	*	*				-165	157.2	108.3	-102.7	164.6	-168.8	-148.6	1	113.3
29	R	29.6	Very low	33.1	Very low	214 Å²	214	155.8 Å²	155.8	81%	0.808	77%	0.772	S	S	*	*			trans	-114.5	167.1	-175.5	-60.5	174.5	176.5	163.8	-3.5	111.4
30	F	33.5	Very low	33	Very low	201 Å²	201	156.5 Å²	156.5	88%	0.882	78%	0.777	S	S	*	*			trans	153.2	153.4	139.7	-81.6	-65.3	0	0	0	110
31	F	31.4	Very low	33.1	Very low	140 Å²	140	158 Å²	158	61%	0.614	78%	0.782	S	S	*	*				-173.9	165.9	-52.3	-124.1	-73.5	0	0	0	107.9
32	Y	34.2	Very low	33	Very low	201 Å²	201	157.5 Å²	157.5	79%	0.788	79%	0.794	S	S	*	*			trans	76.9	132.6	176.3	-59.6	-86.2	0	0	0	117.2
33	L	35.3	Very low	33	Very low	136 Å²	136	154.2 Å²	154.2	71%	0.712	80%	0.798	S	S	*	*			cis	96.1	152.3	22.9	-64.3	161.9	0	0	0	114.5
34	P	39	Very low	32.8	Very low	113 Å²	113	157.1 Å²	157.1	73%	0.734	81%	0.809	S	S	*	*				-142.9	-162.6	-70	39.7	-18.8	0	0	0	114
35	S	32.8	Very low	32.9	Very low	104 Å²	104	156.8 Å²	156.8	73%	0.727	81%	0.81	S	S	*	*			trans	122.3	149.5	134.1	-159.8	0	0	0	0	120.4
36	R	35.2	Very low	32.8	Very low	233 Å²	233	163.2 Å²	163.2	88%	0.879	81%	0.809	S	S	*	*			trans	96.8	102.5	173.3	-58.9	176.3	-177.9	-124.7	-1.1	114.6
37	R	33.3	Very low	32.6	Very low	243 Å²	243	166.6 Å²	166.6	92%	0.917	81%	0.813	S	S	*	*				59	106.5	54.3	-70.3	-164.7	177.4	-165.3	1.1	115.4
38	L	34.6	Very low	32.7	Very low	160 Å²	160	170.3 Å²	170.3	84%	0.838	82%	0.819	S	S	*	*			trans	-172.3	107.3	137.5	-95.5	160.5	0	0	0	105.8
39	V	35	Very low	32.4	Very low	134 Å²	134	169.9 Å²	169.9	81%	0.812	82%	0.817	S	S	*	*				74.6	134	90	172.8	0	0	0	0	113.7
40	S	27.8	Very low	32.5	Very low	111 Å²	111	163 Å²	163	78%	0.776	81%	0.813	S	S	*	*			trans	-82.5	149.5	-170.9	50.9	0	0	0	0	114.7
41	T	32.7	Very low	32.5	Very low	139 Å²	139	162.5 Å²	162.5	85%	0.853	81%	0.811	S	S	*	*			trans	-136	115.9	157.8	49.6	0	0	0	0	109.8
42	S	30.5	Very low	32.6	Very low	121 Å²	121	161.9 Å²	161.9	85%	0.846	81%	0.814	S	S	*	*			trans	-79.4	144.4	168.4	53.5	0	0	0	0	110.3
43	C	31.2	Very low	32.4	Very low	121 Å²	121	157.3 Å²	157.3	82%	0.818	81%	0.811	S	S	*	*			trans	-130.4	109.6	173.5	-163.1	0	0	0	0	110.4
44	K	29.8	Very low	32.3	Very low	199 Å²	199	155.4 Å²	155.4	87%	0.865	81%	0.809	S	S	*	*			trans	-92	115.4	171	-72	-179.2	175.4	-179.7	0	109
45	M	34	Very low	32	Very low	177 Å²	177	159.1 Å²	159.1	87%	0.872	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-89.1	117.9	160.7	-79.7	-101.2	58.8	0	0	109.4
46	R	31.9	Very low	31.9	Very low	214 Å²	214	164.8 Å²	164.8	81%	0.808	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-62.2	140.8	-174.6	-102.4	172.4	166.2	159.8	-7	113.2
47	Q	28.7	Very low	31.8	Very low	183 Å²	183	160.8 Å²	160.8	86%	0.855	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-65.7	147.2	140.3	-68.1	177.7	-13.3	0	0	109.7
48	Q	32	Very low	31.8	Very low	180 Å²	180	157.7 Å²	157.7	84%	0.841	81%	0.807	S	S	*	*			trans	-124.6	113.2	161.7	-103.9	-177.4	-50.1	0	0	110.6
49	R	27.9	Very low	31.6	Very low	243 Å²	243	156.6 Å²	156.6	92%	0.917	81%	0.807	S	S	*	*			trans	-116.1	154.6	154	-72.7	-172.3	178.1	-168.9	1.5	107.8
50	G	31.4	Very low	31.5	Very low	70 Å²	70	159.4 Å²	159.4	72%	0.722	81%	0.808	S	S	*	*			trans	145.9	92.2	-168.3	0	0	0	0	0	107.4
51	F	33.5	Very low	31.8	Very low	190 Å²	190	164.1 Å²	164.1	83%	0.833	81%	0.814	S	S	*	*			cis	70.4	101.7	39.5	-108.1	-66.1	0	0	0	113.8
52	D	33.8	Very low	31.8	Very low	127 Å²	127	160.6 Å²	160.6	68%	0.679	81%	0.806	S	S	*	*			trans	40.8	103.9	151.4	-61.9	-24.6	0	0	0	123.5
53	S	30.1	Very low	32.1	Very low	105 Å²	105	160.7 Å²	160.7	73%	0.734	81%	0.806	S	S	*	*				78.5	157.6	117.8	92.4	0	0	0	0	121.9
54	S	33	Very low	32.5	Very low	96 Å²	96	160.2 Å²	160.2	67%	0.671	80%	0.802	S	S	*	*			trans	76.9	98.7	147.4	-57.6	0	0	0	0	121.6
55	K	33.1	Very low	32.8	Very low	192 Å²	192	160.4 Å²	160.4	84%	0.835	80%	0.802	S	S	*	*			trans	67.4	110.9	133	-63.8	175.8	179.8	171.4	0	121.7
56	R	30.6	Very low	33.1	Very low	223 Å²	223	157 Å²	157	84%	0.842	79%	0.794	S	S	*	*			trans	75.7	139.7	130.5	-82.8	-170.2	173.7	-171.9	-1.2	122.9
57	Q	33.6	Very low	33.2	Very low	149 Å²	149	153.7 Å²	153.7	70%	0.696	79%	0.791	S	S	*	*			trans	81.2	91.7	146.5	-73.4	174	-78.3	0	0	121.6
58	E	31.7	Very low	33.5	Very low	178 Å²	178	152.5 Å²	152.5	83%	0.832	79%	0.789	S	S	*	*				28.4	124.8	120.4	-57.5	178.9	132.9	0	0	121.3
59	V	32.4	Very low	33.4	Very low	137 Å²	137	148.1 Å²	148.1	83%	0.83	78%	0.778	S	S	*	*			trans	-151.5	127	144.6	-178.3	0	0	0	0	110.7
60	K	32	Very low	33.8	Very low	192 Å²	192	144.3 Å²	144.3	84%	0.835	77%	0.774	S	S	*	*			trans	179.6	135	131.2	-104.3	163.2	-175.7	170	0	116.4
61	K	34.4	Very low	33.9	Very low	210 Å²	210	148.1 Å²	148.1	91%	0.913	78%	0.778	S	S	*	*			trans	68.7	130.7	168.4	-57.7	177.8	-179.7	-179.4	0	115.3
62	G	31.5	Very low	33.8	Very low	66 Å²	66	145.1 Å²	145.1	68%	0.68	78%	0.781	S	S	*	*			cis	176.6	-155.1	-2.6	0	0	0	0	0	112.7
63	S	37.3	Very low	33.7	Very low	122 Å²	122	142.4 Å²	142.4	85%	0.853	78%	0.783	S	S	*	*			trans	87.2	159.3	-177.1	93.8	0	0	0	0	114.8
64	P	39.5	Very low	33.8	Very low	111 Å²	111	144.4 Å²	144.4	72%	0.721	79%	0.785	S	S	*	*				-147	178.1	-103.3	40.5	-19.1	0	0	0	119.1
65	K	37.5	Very low	33.7	Very low	203 Å²	203	148.5 Å²	148.5	88%	0.883	79%	0.793	S	S	*	*			trans	80.8	157.4	154.8	-81.9	-169.6	172.4	-177	0	118.9
66	P	39.4	Very low	33.7	Very low	106 Å²	106	145 Å²	145	69%	0.688	79%	0.793	S	S	*	*			trans	-128	-163.9	-149.4	45.1	-29.8	0	0	0	112.8
67	I	34.5	Very low	33.7	Very low	145 Å²	145	141.4 Å²	141.4	74%	0.744	79%	0.791	S	S	*	*			trans	-178.2	135.4	131	-100.6	158.4	0	0	0	112.1
68	L	34.2	Very low	33.6	Very low	158 Å²	158	141 Å²	141	83%	0.827	79%	0.793	S	S	*	*			trans	43.4	153.9	154.1	-61.7	173.2	0	0	0	121
69	S	30.6	Very low	33.8	Very low	87 Å²	87	139.3 Å²	139.3	61%	0.608	79%	0.79	S	S	*	*			cis	-179.6	156.5	-18.2	52.9	0	0	0	0	109.9
70	I	35.5	Very low	34.1	Very low	163 Å²	163	141 Å²	141	84%	0.836	79%	0.788	S	S	*	*			trans	174.1	151.8	133.7	-91	154.5	0	0	0	109
71	N	33.2	Very low	34.3	Very low	151 Å²	151	139.6 Å²	139.6	81%	0.807	79%	0.785	S	S	*	*			trans	-129.4	168.9	-168.6	-91.5	-11.9	0	0	0	113.2
72	S	31.8	Very low	34.4	Very low	126 Å²	126	132.7 Å²	132.7	88%	0.881	76%	0.763	S	S	*	*			trans	86	151.2	148	74	0	0	0	0	120.9
73	G	32	Very low	34.6	Very low	71 Å²	71	134 Å²	134	73%	0.732	76%	0.755	S	S	*	*			trans	109.2	78.2	-178.3	0	0	0	0	0	113.2
74	L	32.5	Very low	34.6	Very low	147 Å²	147	132 Å²	132	77%	0.77	73%	0.734	S	S	*	*				78.5	108.1	60.5	-80.6	149.5	0	0	0	116.5
75	Q	30.5	Very low	34.5	Very low	182 Å²	182	132.1 Å²	132.1	85%	0.85	73%	0.725	S	S	*	*			trans	44	125.2	141.9	-69.3	175.9	-45.8	0	0	122.5
76	S	33.4	Very low	34.5	Very low	118 Å²	118	124 Å²	124	83%	0.825	69%	0.691	S	S	*	*				-156.3	162	121.9	61.2	0	0	0	0	110.8
77	N	30.4	Very low	34.3	Very low	148 Å²	148	119.7 Å²	119.7	79%	0.791	67%	0.666	S	S	*	*			trans	-108.9	167.7	175.3	-82	-2.2	0	0	0	110.5
78	N	30.9	Very low	34.4	Very low	139 Å²	139	116.6 Å²	116.6	74%	0.743	66%	0.657	S	S	*	*			trans	32.6	135.5	150.2	-56.7	12.1	0	0	0	120.7
79	D	37.7	Very low	34.5	Very low	144 Å²	144	113 Å²	113	77%	0.77	65%	0.651	S	S	*	*				-158.7	145.1	125.8	-82	-34.2	0	0	0	108.7
80	E	37.7	Very low	34.8	Very low	171 Å²	171	115.8 Å²	115.8	80%	0.799	66%	0.659	S	S	*	*			trans	40.9	145.8	131	-62.3	176.4	164.7	0	0	120.7
81	E	36.5	Very low	34.8	Very low	164 Å²	164	112.7 Å²	112.7	77%	0.766	65%	0.652	S	S	*	*			cis	-144.2	149.5	10.4	-108.8	161.5	156.9	0	0	108
82	S	36	Very low	34.9	Very low	65 Å²	65	111.8 Å²	111.8	46%	0.455	65%	0.651	S	S	.	*				56.2	143.3	90.4	103.8	0	0	0	0	115.2
83	D	36.6	Very low	35.3	Very low	94 Å²	94	110.7 Å²	110.7	50%	0.503	64%	0.641	S	S	.	*			cis	-164.3	177.7	23	-97.9	-37.9	0	0	0	111.2	R312	D83-R312 WeakPolarHBondContact OD1-CD 3.37Å; D83-R312 IonicContact OD1-CZ 2.61Å; D83-R312 IonicContact OD1-NE 2.73Å; D83-R312 PolarHBondContact OD1-NE 2.94Å; D83-R312 VanDerWaalsContact OD1-NE 3.12Å; D83-R312 IonicContact OD1-NH1 3.07Å; D83-R312 PolarHBondContact OD1-NH1 2.83Å; D83-R312 IonicContact OD2-CZ 3.03Å; D83-R312 IonicContact OD2-NH1 3.84Å; D83-R312 PolarHBondContact OD2-NH1 3.16Å
84	L	37.3	Very low	35.4	Very low	79 Å²	79	111.9 Å²	111.9	41%	0.414	64%	0.638	S	S	.	*			cis	-160.7	176.9	0.9	-117.8	165.1	0	0	0	110.8	E311 R312	L84-E311 WeakPolarHBondContact CD2-O 3.48Å; L84-R312 HydrophobicContact CD2-CB 3.89Å; L84-R312 HydrophobicContact CD2-CG 4.28Å
85	E	37.6	Very low	35.6	Very low	113 Å²	113	112.4 Å²	112.4	53%	0.528	64%	0.641	S	S	.	*			trans	74.1	142.1	148.5	-85.8	161.9	-94.2	0	0	126.9	E311 V315	E85-E311 HydrophobicContact CG-CB 3.92Å; E85-E311 WeakPolarHBondContact CG-O 3.21Å; E85-V315 WeakPolarHBondContact O-CG2 3.3Å
86	N	36.3	Very low	35.9	Very low	32 Å²	32	110.8 Å²	110.8	17%	0.171	63%	0.631	C	S	.	*				-151.6	138.6	-102.6	-93.5	-136.9	0	0	0	113.7	E311 R312 V313 V314 V315	N86-E311 WeakPolarHBondContact CB-O 3.37Å; N86-E311 PolarHBondContact ND2-O 2.77Å; N86-E311 PolarHBondContact OD1-O 3.49Å; N86-R312 WeakPolarHBondContact OD1-CA 3.46Å; N86-R312 PolarHBondContact OD1-N 3.19Å; N86-R312 VanDerWaalsContact OD1-N 3.1Å; N86-V313 PolarHBondContact OD1-N 3.39Å; N86-V313 VanDerWaalsContact OD1-N 3.1Å; N86-V314 HydrophobicContact CB-CB 3.79Å; N86-V314 HydrophobicContact CB-CG1 4.06Å; N86-V314 VanDerWaalsContact CG-C 3.45Å; N86-V314 WeakPolarHBondContact OD1-CA 3.45Å; N86-V314 PolarHBondContact OD1-N 3.03Å; N86-V315 HydrophobicContact CB-CG2 4.43Å; N86-V315 WeakPolarHBondContact ND2-CB 3.41Å; N86-V315 WeakPolarHBondContact ND2-CG2 3.47Å; N86-V315 PolarHBondContact ND2-N 3.1Å; N86-V315 PolarHBondContact OD1-N 3.17Å
87	G	34.6	Very low	36.1	Very low	16 Å²	16	108 Å²	108	17%	0.165	61%	0.611	C	S	.	*			trans	34.1	-156.3	166.6	0	0	0	0	0	120.9	V314 K318	G87-V314 VanDerWaalsContact CA-CG1 3.44Å; G87-V314 VanDerWaalsContact CA-O 3.23Å; G87-V314 WeakPolarHBondContact CA-O 3.2Å; G87-V314 PolarHBondContact N-O 3.48Å; G87-K318 VanDerWaalsContact O-CE 3.31Å; G87-K318 WeakPolarHBondContact O-CE 3.45Å; G87-K318 PolarHBondContact O-NZ 2.61Å
88	S	36.8	Very low	36.4	Very low	80 Å²	80	107.4 Å²	107.4	56%	0.559	61%	0.608	S	S	*	*			cis	-171.1	150.6	-29.7	49.3	0	0	0	0	109.3	V314	S88-V314 VanDerWaalsContact OG-CG1 3.25Å; S88-V314 WeakPolarHBondContact OG-CG1 3.3Å
89	A	37.2	Very low	36.8	Very low	84 Å²	84	105.1 Å²	105.1	69%	0.694	61%	0.609	S	S	*	*			trans	62.6	158.6	147.2	0	0	0	0	0	119.1
90	D	36.3	Very low	36.8	Very low	145 Å²	145	103.3 Å²	103.3	78%	0.775	60%	0.595	S	S	*	*			cis	-160.8	161	-29.7	-113.6	-42.9	0	0	0	110.7
91	S	34.8	Very low	36.8	Very low	98 Å²	98	98.1 Å²	98.1	69%	0.685	57%	0.57	S	S	*	*			trans	63.8	138.1	150.1	66.9	0	0	0	0	121
92	V	37.1	Very low	36.7	Very low	132 Å²	132	92.6 Å²	92.6	80%	0.8	56%	0.558	S	S	*	*			cis	79.5	134.6	34.3	171.4	0	0	0	0	112.2
93	P	38.5	Very low	36.8	Very low	102 Å²	102	92.8 Å²	92.8	66%	0.662	56%	0.559	S	S	*	*			cis	-143.8	-162.8	-19.6	38.3	-17.8	0	0	0	114.7
94	S	35	Very low	36.8	Very low	96 Å²	96	93.6 Å²	93.6	67%	0.671	57%	0.572	S	S	*	*			trans	74.8	149.6	139	70.3	0	0	0	0	119.5
95	L	36.1	Very low	37	Very low	158 Å²	158	95.9 Å²	95.9	83%	0.827	58%	0.583	S	S	*	*			cis	-164.9	-176.2	-15	-104.6	175.2	0	0	0	105.3
96	K	36.5	Very low	37	Very low	149 Å²	149	95.4 Å²	95.4	65%	0.648	58%	0.58	S	S	*	*			cis	-161.8	164.6	14.4	-151.2	-164.8	161.6	-156.2	0	110.5
97	S	37.5	Very low	37.1	Very low	58 Å²	58	95.8 Å²	95.8	41%	0.406	59%	0.592	S	S	.	*			trans	36.2	147.6	139.7	61.4	0	0	0	0	122.8
98	D	37.7	Very low	37.2	Very low	137 Å²	137	96.8 Å²	96.8	73%	0.733	60%	0.597	S	S	*	*			cis	-173.5	163.8	-8.4	-93.4	-33.6	0	0	0	108
99	A	38.8	Very low	37.3	Very low	91 Å²	91	98.6 Å²	98.6	75%	0.752	60%	0.599	S	S	*	*			trans	66.8	145.7	150.6	0	0	0	0	0	120.2
100	E	37.6	Very low	37.5	Very low	105 Å²	105	97.1 Å²	97.1	49%	0.491	58%	0.579	S	S	.	*			cis	-163.8	125.9	-11	-113.7	-163.2	148.6	0	0	112.4	R367	E100-R367 PolarHBondContact O-NH1 3.21Å; E100-R367 IonicContact OE2-CZ 3.17Å; E100-R367 IonicContact OE2-NH1 3.33Å; E100-R367 IonicContact OE2-NH2 2.74Å; E100-R367 PolarHBondContact OE2-NH2 3.44Å
101	K	37.5	Very low	37.5	Very low	63 Å²	63	92.6 Å²	92.6	27%	0.274	55%	0.554	S	S	.	*			trans	51.6	123.3	133.2	-61.8	167.6	178.3	168.6	0	121.7	L364 R367	K101-L364 HydrophobicContact CB-CD2 3.67Å; K101-L364 HydrophobicContact CB-CG 4.46Å; K101-L364 HydrophobicContact CD-CD1 4.41Å; K101-L364 HydrophobicContact CD-CD2 3.81Å; K101-L364 HydrophobicContact CD-CG 3.68Å; K101-L364 HydrophobicContact CG-CD1 4.45Å; K101-L364 HydrophobicContact CG-CD2 3.69Å; K101-L364 HydrophobicContact CG-CG 3.99Å; K101-R367 PolarHBondContact O-NH1 3.44Å
102	G	35.9	Very low	37.6	Very low	48 Å²	48	94 Å²	94	50%	0.495	55%	0.554	S	S	.	*			trans	172.1	76	151.9	0	0	0	0	0	119
103	S	37.9	Very low	37.7	Very low	69 Å²	69	95.9 Å²	95.9	48%	0.483	55%	0.554	S	S	.	*			trans	33.9	110.1	145.3	52	0	0	0	0	120.2
104	S	36.4	Very low	37.7	Very low	110 Å²	110	95 Å²	95	77%	0.769	56%	0.555	S	S	*	*				69.6	141	84.6	73	0	0	0	0	114.9
105	I	40.2	Very low	37.8	Very low	128 Å²	128	97.2 Å²	97.2	66%	0.656	56%	0.559	S	S	*	*			cis	-142.4	171.4	45.1	-72.7	175	0	0	0	111.7	V438	I105-V438 HydrophobicContact CG2-CG2 4.23Å
106	H	39.3	Very low	37.9	Very low	102 Å²	102	97.1 Å²	97.1	47%	0.472	55%	0.554	S	S	.	*			trans	-24.1	160.9	172.8	-54.3	-59	0	0	0	118.4	I434	H106-I434 HydrophobicContact CB-CB 4.44Å; H106-I434 HydrophobicContact CB-CG1 3.88Å; H106-I434 HydrophobicContact CB-CG2 4.1Å; H106-I434 WeakPolarHBondContact O-CD1 3.43Å
107	G	36.3	Very low	38	Very low	40 Å²	40	95.5 Å²	95.5	41%	0.412	55%	0.553	S	S	.	*			cis	151.6	-162.6	32.1	0	0	0	0	0	107.9	S430 I434	G107-S430 VanDerWaalsContact C-OG 3.27Å; G107-S430 PolarHBondContact O-OG 3.47Å; G107-I434 VanDerWaalsContact CA-CG1 3.43Å; G107-I434 VanDerWaalsContact N-CD1 3.27Å; G107-I434 VanDerWaalsContact N-CG1 3.31Å; G107-I434 WeakPolarHBondContact O-CD1 3.4Å
108	S	37.7	Very low	38	Very low	38 Å²	38	99.2 Å²	99.2	27%	0.266	57%	0.567	S	S	.	*			cis	-173.8	40.8	-20.7	-81.1	0	0	0	0	112.1	S430 E433	S108-S430 PolarHBondContact N-OG 2.86Å; S108-E433 WeakPolarHBondContact O-CB 3.4Å
109	I	39.7	Very low	37.9	Very low	117 Å²	117	99.3 Å²	99.3	60%	0.6	56%	0.563	S	S	*	*			trans	67.1	125.9	139.5	-85.6	171	0	0	0	124	S430	I109-S430 PolarHBondContact N-OG 3.3Å
110	D	39.8	Very low	37.8	Very low	53 Å²	53	102.1 Å²	102.1	28%	0.283	56%	0.559	S	S	.	*			trans	76.2	102.9	136.4	-73.8	25.8	0	0	0	127.2	R426 K429	D110-R426 WeakPolarHBondContact OD1-CD 3.49Å; D110-R426 WeakPolarHBondContact OD1-CG 3.42Å; D110-R426 IonicContact OD1-CZ 2.67Å; D110-R426 IonicContact OD1-NE 3.21Å; D110-R426 PolarHBondContact OD1-NE 3.49Å; D110-R426 IonicContact OD1-NH2 2.79Å; D110-R426 IonicContact OD2-CZ 2.71Å; D110-R426 IonicContact OD2-NE 2.63Å; D110-R426 PolarHBondContact OD2-NE 3.07Å; D110-R426 IonicContact OD2-NH2 3.71Å; D110-R426 PolarHBondContact OD2-NH2 3.36Å; D110-K429 VanDerWaalsContact O-CD 3.28Å; D110-K429 WeakPolarHBondContact O-CD 3.26Å; D110-K429 PolarHBondContact O-NZ 2.83Å
111	M	37.6	Very low	37.8	Very low	51 Å²	51	104.9 Å²	104.9	25%	0.251	57%	0.569	S	S	.	*				72.1	169.9	118	-67.5	-153.5	146.1	0	0	123.5	L422 R426 K429	M111-L422 HydrophobicContact CE-CD1 3.35Å; M111-L422 HydrophobicContact CE-CD2 4.01Å; M111-L422 HydrophobicContact CE-CG 3.37Å; M111-R426 HydrophobicContact CE-CG 3.85Å; M111-R426 VanDerWaalsContact CE-NH1 3.27Å; M111-R426 HydrophobicContact CG-CG 3.54Å; M111-R426 HydrophobicContact SD-CG 4.29Å; M111-R426 PolarHBondContact SD-NH2 3.32Å; M111-K429 PolarHBondContact O-NZ 3.23Å
112	N	36.5	Very low	37.9	Very low	126 Å²	126	107.4 Å²	107.4	67%	0.674	59%	0.585	S	S	*	*			trans	-141.9	158.4	-178.3	-86	-41.5	0	0	0	112.3
113	H	38.5	Very low	38	Very low	173 Å²	173	111.2 Å²	111.2	80%	0.801	60%	0.595	S	S	*	*			trans	29.2	120.1	147.8	-68.7	-68.1	0	0	0	121.9
114	A	38.7	Very low	38.1	Very low	83 Å²	83	113.6 Å²	113.6	69%	0.686	60%	0.601	S	S	*	*				104.7	163.6	85.6	0	0	0	0	0	111.4
115	D	38.3	Very low	38.2	Very low	142 Å²	142	116.3 Å²	116.3	76%	0.759	60%	0.601	S	S	*	*			cis	-153.7	174.5	9.9	-143.2	-12.6	0	0	0	112.2
116	E	38.1	Very low	38.1	Very low	157 Å²	157	115.4 Å²	115.4	73%	0.734	60%	0.602	S	S	*	*			trans	24.9	151.2	157	-62.9	-149.6	157.8	0	0	122.8
117	N	37.7	Very low	38	Very low	115 Å²	115	116.1 Å²	116.1	62%	0.615	61%	0.614	S	S	*	*			cis	-173.6	-179.3	-3.6	-107.8	-32.5	0	0	0	107.2
118	L	37.4	Very low	38	Very low	135 Å²	135	122.4 Å²	122.4	71%	0.707	63%	0.632	S	S	*	*			cis	-161.6	149.4	0.2	-123.5	166.9	0	0	0	111.2
119	E	37	Very low	37.9	Very low	139 Å²	139	126.3 Å²	126.3	65%	0.65	65%	0.654	S	S	*	*			trans	56.8	133	149.6	-94.9	-170.2	159.4	0	0	127.9
120	K	36.5	Very low	37.8	Very low	150 Å²	150	126.4 Å²	126.4	65%	0.652	66%	0.66	S	S	*	*			trans	78.1	114	146.5	-71.7	160.1	-176.9	150.4	0	119.7
121	K	37.6	Very low	37.5	Very low	164 Å²	164	133 Å²	133	71%	0.713	68%	0.681	S	S	*	*				78.4	129.8	65.4	-77.5	-164	131.2	-64.1	0	112.9
122	D	38.8	Very low	37.4	Very low	115 Å²	115	139 Å²	139	62%	0.615	70%	0.701	S	S	*	*			cis	-153.9	-173.8	-7.7	-58.4	-60.6	0	0	0	107.4
123	D	38.3	Very low	37.2	Very low	129 Å²	129	141.6 Å²	141.6	69%	0.69	71%	0.706	S	S	*	*			cis	-163.9	176.6	-1.2	-144.7	-21.3	0	0	0	112.6
124	I	40.1	Very low	37	Very low	118 Å²	118	137.8 Å²	137.8	61%	0.605	70%	0.699	S	S	*	*			trans	64.9	108.9	145.1	-77.2	158.6	0	0	0	122.6
125	Q	38.1	Very low	36.7	Very low	167 Å²	167	142.6 Å²	142.6	78%	0.78	70%	0.704	S	S	*	*			trans	62.3	153.3	130	-57.3	-178.7	3.7	0	0	121.2
126	T	37.2	Very low	36.4	Very low	109 Å²	109	142.1 Å²	142.1	67%	0.669	71%	0.707	S	S	*	*			cis	-161	152.7	4.7	-0.2	0	0	0	0	112.1
127	T	37.4	Very low	36.2	Very low	118 Å²	118	138.7 Å²	138.7	72%	0.724	71%	0.705	S	S	*	*			trans	23.9	150.8	140.9	57.2	0	0	0	0	122.3
128	E	36.5	Very low	35.9	Very low	172 Å²	172	141.7 Å²	141.7	80%	0.804	71%	0.713	S	S	*	*			cis	-172.7	-167.8	13.3	-127.7	-173.9	163.4	0	0	113.5
129	V	37	Very low	35.7	Very low	120 Å²	120	144 Å²	144	73%	0.727	72%	0.717	S	S	*	*			trans	86.7	72.1	156.1	-154.9	0	0	0	0	121.3
130	T	35.7	Very low	35.6	Very low	118 Å²	118	146.6 Å²	146.6	72%	0.724	73%	0.726	S	S	*	*				10	129.6	118.4	-22.7	0	0	0	0	121
131	R	35.1	Very low	35.5	Very low	192 Å²	192	142.5 Å²	142.5	73%	0.725	73%	0.727	S	S	*	*				161.2	130.4	111.7	-90.1	-178.5	168.1	173.7	1.6	118.7
132	R	34.3	Very low	35.2	Very low	176 Å²	176	143.9 Å²	143.9	66%	0.664	74%	0.736	S	S	*	*			trans	72.5	125.8	130.4	-72.3	177	174.5	176.7	-3.3	123.7
133	K	33.9	Very low	34.9	Very low	182 Å²	182	143.4 Å²	143.4	79%	0.791	74%	0.741	S	S	*	*			trans	72.5	151.5	131.6	-70.4	-175.7	176.8	-168.1	0	119.6
134	S	32.4	Very low	34.8	Very low	92 Å²	92	144.2 Å²	144.2	64%	0.643	74%	0.744	S	S	*	*			cis	-174.7	144.4	-22.9	54	0	0	0	0	114.1
135	K	32.3	Very low	34.5	Very low	184 Å²	184	147.1 Å²	147.1	80%	0.8	76%	0.755	S	S	*	*			trans	67.9	133.8	143.5	-79.9	-170.6	174.4	-172	0	122.6
136	T	32.1	Very low	34.1	Very low	132 Å²	132	143.2 Å²	143.2	81%	0.81	75%	0.751	S	S	*	*			trans	67.5	147.4	140.9	53.6	0	0	0	0	120
137	A	33.8	Very low	33.8	Very low	85 Å²	85	143.8 Å²	143.8	70%	0.702	75%	0.754	S	S	*	*			cis	-161.6	-164.8	-12.8	0	0	0	0	0	107.2
138	K	32.7	Very low	33.4	Very low	179 Å²	179	145.6 Å²	145.6	78%	0.778	76%	0.758	S	S	*	*			cis	173.2	138.4	38.6	-152.4	173.8	-169.8	172.8	0	111.2
139	K	33.3	Very low	33.2	Very low	184 Å²	184	145.1 Å²	145.1	80%	0.8	76%	0.761	S	S	*	*			trans	62.5	160.5	158.3	-75.6	-178.9	179	-163.3	0	117
140	K	34.6	Very low	32.8	Very low	193 Å²	193	145.6 Å²	145.6	84%	0.839	76%	0.758	S	S	*	*			cis	-155.1	162.3	8.9	-119.9	168.2	178.2	-165.5	0	106.2
141	G	33.8	Very low	32.6	Very low	64 Å²	64	143 Å²	143	66%	0.66	76%	0.755	S	S	*	*			cis	167.6	155.3	-5.5	0	0	0	0	0	112.1
142	E	31.7	Very low	32.4	Very low	193 Å²	193	141.7 Å²	141.7	90%	0.902	76%	0.757	S	S	*	*			trans	49.6	116.4	153.6	-68.2	148.1	-141.9	0	0	122.3
143	S	32.8	Very low	32.2	Very low	104 Å²	104	140.6 Å²	140.6	73%	0.727	76%	0.764	S	S	*	*				-177.8	97.7	123.1	177.9	0	0	0	0	115.7
144	I	35.4	Very low	32.1	Very low	147 Å²	147	137.9 Å²	137.9	75%	0.754	76%	0.758	S	S	*	*			trans	68	133.6	132.8	-61.2	172.5	0	0	0	122.1
145	H	33.6	Very low	32	Very low	178 Å²	178	136.6 Å²	136.6	82%	0.824	76%	0.76	S	S	*	*			trans	75.7	97.5	161.7	-79.6	-52.2	0	0	0	122.5
146	A	30.9	Very low	32.1	Very low	85 Å²	85	136.8 Å²	136.8	70%	0.702	76%	0.76	S	S	*	*			trans	-3	144.4	139.1	0	0	0	0	0	118.6
147	T	31.3	Very low	32.1	Very low	121 Å²	121	137 Å²	137	74%	0.742	76%	0.756	S	S	*	*				-158.6	128.3	64.9	-61.6	0	0	0	0	114
148	I	28.8	Very low	32	Very low	156 Å²	156	140.8 Å²	140.8	80%	0.8	76%	0.764	S	S	*	*			trans	31.6	110.4	152.7	-50.2	167.4	0	0	0	117.9
149	D	32.1	Very low	31.8	Very low	162 Å²	162	138.7 Å²	138.7	87%	0.866	76%	0.761	S	S	*	*			trans	-148.9	171.8	147.3	-146.3	-24.5	0	0	0	110.1
150	I	28.1	Very low	31.8	Very low	131 Å²	131	136.5 Å²	136.5	67%	0.672	76%	0.758	S	S	*	*			trans	-117.9	129.1	-160	-59.6	173.8	0	0	0	113.6
151	G	31.4	Very low	31.6	Very low	63 Å²	63	135.3 Å²	135.3	65%	0.649	76%	0.759	S	S	*	*			trans	-159.9	130.8	164.7	0	0	0	0	0	109.1
152	H	30.1	Very low	31.5	Very low	164 Å²	164	137.7 Å²	137.7	76%	0.759	76%	0.762	S	S	*	*				49.5	102.6	83.6	-103.4	79.4	0	0	0	113.4
153	D	31.5	Very low	31.5	Very low	154 Å²	154	135.8 Å²	135.8	82%	0.824	76%	0.762	S	S	*	*				-161.4	153.8	118.5	-159.6	25.6	0	0	0	113
154	D	32.2	Very low	31.4	Very low	125 Å²	125	135.3 Å²	135.3	67%	0.668	76%	0.757	S	S	*	*			trans	-55.2	146.9	-166.1	-82.2	-5.5	0	0	0	121.4
155	G	29.6	Very low	31.3	Very low	65 Å²	65	134.7 Å²	134.7	67%	0.67	75%	0.751	S	S	*	*				65.7	104.4	97.9	0	0	0	0	0	118.1
156	K	34.4	Very low	31.3	Very low	187 Å²	187	132.4 Å²	132.4	81%	0.813	75%	0.749	S	S	*	*			trans	-135.5	106.3	154.4	-74.8	-164.7	175.7	65.5	0	113.1
157	N	33	Very low	31.5	Very low	136 Å²	136	133.1 Å²	133.1	73%	0.727	76%	0.755	S	S	*	*				43.4	105.9	123.6	-71.4	-70.9	0	0	0	117.7
158	L	29.9	Very low	31.7	Very low	166 Å²	166	134.5 Å²	134.5	87%	0.869	75%	0.751	S	S	*	*			trans	-148.7	63.9	145.4	-117.7	158.5	0	0	0	111.9
159	D	30.3	Very low	31.8	Very low	134 Å²	134	130.9 Å²	130.9	72%	0.717	74%	0.744	S	S	*	*			trans	-53.7	148.1	156.5	-90.7	-49.2	0	0	0	111
160	N	31.6	Very low	31.8	Very low	138 Å²	138	131.4 Å²	131.4	74%	0.738	75%	0.746	S	S	*	*			trans	70	101.3	-178.5	-43.3	-90.1	0	0	0	114.8
161	I	31.1	Very low	31.9	Very low	168 Å²	168	129 Å²	129	86%	0.862	74%	0.741	S	S	*	*				-159.3	145.8	105.6	-97.6	152.7	0	0	0	110.3
162	T	32.6	Very low	31.9	Very low	115 Å²	115	133.3 Å²	133.3	71%	0.706	75%	0.748	S	S	*	*			trans	-56.9	147.4	-172.8	46.6	0	0	0	0	115.4	P164	T162-P164 WeakPolarHBondContact O-CD 3.42Å; T162-P164 VanDerWaalsContact O-N 3.16Å
163	V	30.5	Very low	32.2	Very low	152 Å²	152	131.8 Å²	131.8	92%	0.921	75%	0.746	S	S	*	*	S	Bend	trans	-70.9	95.4	165.6	-178.8	0	0	0	0	110.1
164	P	31	Very low	32.2	Very low	95 Å²	95	133.4 Å²	133.4	62%	0.617	75%	0.745	S	S	*	*				-157.9	71.1	129.3	39.1	-18.3	0	0	0	115.6	T162	T162-P164 WeakPolarHBondContact O-CD 3.42Å; T162-P164 VanDerWaalsContact O-N 3.16Å
165	E	33.7	Very low	32.3	Very low	134 Å²	134	132.4 Å²	132.4	63%	0.626	75%	0.748	S	S	*	*	S	Bend	trans	-143.9	-8.9	165	-147	139.6	-133.4	0	0	118.3	A167 K168	E165-A167 PolarHBondContact O-N 3.23Å; E165-A167 VanDerWaalsContact O-N 3.09Å; E165-K168 HydrophobicContact CG-CB 4.42Å; E165-K168 HydrophobicContact CG-CD 4.33Å; E165-K168 PolarHBondContact O-N 3.26Å; E165-K168 IonicContact OE1-NZ 3.56Å; E165-K168 PolarHBondContact OE1-NZ 3.38Å
166	V	34	Very low	32.4	Very low	130 Å²	130	138.2 Å²	138.2	79%	0.788	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-58.3	-24	166.1	-179.9	0	0	0	0	111.6	K168	V166-K168 PolarHBondContact O-N 3.39Å
167	A	34.6	Very low	32.1	Very low	100 Å²	100	132.8 Å²	132.8	83%	0.826	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-69.8	15.7	174.7	0	0	0	0	0	115.6	E165	E165-A167 PolarHBondContact O-N 3.23Å; E165-A167 VanDerWaalsContact O-N 3.09Å
168	K	34.9	Very low	32.2	Very low	149 Å²	149	134.3 Å²	134.3	65%	0.648	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-133.5	-3.8	-178.1	-111.1	178.9	-171.6	169.4	0	116	E165 V166	E165-K168 HydrophobicContact CG-CB 4.42Å; E165-K168 HydrophobicContact CG-CD 4.33Å; E165-K168 PolarHBondContact O-N 3.26Å; E165-K168 IonicContact OE1-NZ 3.56Å; E165-K168 PolarHBondContact OE1-NZ 3.38Å; V166-K168 PolarHBondContact O-N 3.39Å
169	A	32.2	Very low	32.4	Very low	80 Å²	80	132.4 Å²	132.4	66%	0.661	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	-15.1	-177.8	0	0	0	0	0	114.5	S171	A169-S171 PolarHBondContact O-N 3.36Å; A169-S171 VanDerWaalsContact O-N 3.09Å
170	L	31.3	Very low	33	Very low	174 Å²	174	130.5 Å²	130.5	91%	0.911	73%	0.733	S	S	*	*	S	Bend	trans	-85.4	48.9	171.7	-79.3	170.4	0	0	0	112.2
171	S	30.4	Very low	33.5	Very low	79 Å²	79	126 Å²	126	55%	0.552	71%	0.713	S	S	*	*			trans	-142.6	117.8	171.7	58.9	0	0	0	0	109	A169	A169-S171 PolarHBondContact O-N 3.36Å; A169-S171 VanDerWaalsContact O-N 3.09Å
172	L	31.9	Very low	34.2	Very low	154 Å²	154	124 Å²	124	81%	0.806	70%	0.704	S	S	*	*	S	Bend	trans	73.6	126.9	-163	-46.9	158.2	0	0	0	111.3
173	N	36.2	Very low	34.9	Very low	132 Å²	132	119.8 Å²	119.8	71%	0.706	68%	0.683	S	S	*	*			cis	-140.8	137.8	-11.7	-74.3	-47.4	0	0	0	106
174	K	30.1	Very low	35.8	Very low	189 Å²	189	118.4 Å²	118.4	82%	0.822	67%	0.666	S	S	*	*				63.8	141	68.2	-74.4	-161.6	171.5	-163.6	0	114.5
175	S	34.5	Very low	36.4	Very low	103 Å²	103	117.5 Å²	117.5	72%	0.72	65%	0.653	S	S	*	*			trans	67.6	137.2	-172.8	65.6	0	0	0	0	114.6
176	E	32.1	Very low	37.6	Very low	187 Å²	187	112.5 Å²	112.5	87%	0.874	64%	0.638	S	S	*	*			cis	-158.1	142.3	-13.1	-122.5	140.5	-118	0	0	108.8
177	G	28.9	Very low	38.8	Very low	74 Å²	74	112.3 Å²	112.3	76%	0.763	63%	0.628	S	S	*	*			trans	156.1	78.1	179.6	0	0	0	0	0	117.7
178	E	34	Very low	40.1	Very low	167 Å²	167	110 Å²	110	78%	0.78	60%	0.602	S	S	*	*			trans	65.7	165.7	154.3	-128	-179.4	-123.4	0	0	121.5
179	Q	35.2	Very low	41.7	Very low	127 Å²	127	105.8 Å²	105.8	59%	0.593	59%	0.585	S	S	*	*			trans	72.7	121.7	157	-67.8	170.7	40.8	0	0	122.9	F185	Q179-F185 WeakPolarHBondContact O-CD2 3.21Å
180	I	41.4	Very low	43.6	Very low	94 Å²	94	106 Å²	106	48%	0.482	58%	0.578	S	S	.	*			trans	79.5	145.7	147.6	-58.8	163.7	0	0	0	116.7	Q184 F185 L188	I180-Q184 HydrophobicContact CG2-CB 4.22Å; I180-F185 HydrophobicContact CB-CD2 4.15Å; I180-F185 HydrophobicContact CG2-CB 4.06Å; I180-F185 HydrophobicContact CG2-CD2 4.41Å; I180-L188 HydrophobicContact CD1-CD2 3.49Å; I180-L188 VanDerWaalsContact CD1-CD2 3.49Å; I180-L188 HydrophobicContact CG2-CD2 4.28Å
181	S	42.9	Very low	45.4	Very low	43 Å²	43	103.3 Å²	103.3	30%	0.301	56%	0.562	S	S	.	*			trans	-88.9	135	-163.3	70.3	0	0	0	0	113.5	G183 Q184 F185	S181-G183 CarbonylContact O-C 3.56Å; S181-G183 PolarHBondContact O-N 3.04Å; S181-Q184 CarbonylContact O-C 3.59Å; S181-Q184 WeakPolarHBondContact O-CA 3.28Å; S181-Q184 PolarHBondContact O-N 3.48Å; S181-Q184 PolarHBondContact OG-OE1 3.4Å; S181-F185 WeakPolarHBondContact O-CB 3.17Å; S181-F185 PolarHBondContact O-N 3.2Å
182	D	45.2	Very low	47.4	Very low	126 Å²	126	102.5 Å²	102.5	67%	0.674	55%	0.551	S	S	*	*	H	α-helix	trans	-41.8	-33.8	-167.6	-88.4	-27.4	0	0	0	117.9	G186	D182-G186 WeakPolarHBondContact O-CA 3.45Å; D182-G186 PolarHBondContact O-N 2.85Å
183	G	48.4	Very low	49.4	Very low	26 Å²	26	102.1 Å²	102.1	27%	0.268	54%	0.539	S	S	.	.	H	α-helix	trans	-75.2	-48.9	172.4	0	0	0	0	0	114	S181 F185 G186 E187	S181-G183 CarbonylContact O-C 3.56Å; S181-G183 PolarHBondContact O-N 3.04Å; G183-F185 VanDerWaalsContact C-N 3.32Å; G183-G186 CarbonylContact O-C 3.6Å; G183-G186 VanDerWaalsContact O-CA 3.32Å; G183-G186 WeakPolarHBondContact O-CA 3.49Å; G183-G186 PolarHBondContact O-N 3.42Å; G183-E187 PolarHBondContact O-N 3.28Å
184	Q	48.1	Very low	51.2	Low	123 Å²	123	98.6 Å²	98.6	58%	0.575	53%	0.525	S	S	*	.	H	α-helix	trans	-76.2	-21.3	175.4	-61	176.7	-59	0	0	112.5	I180 S181 L188	I180-Q184 HydrophobicContact CG2-CB 4.22Å; S181-Q184 CarbonylContact O-C 3.59Å; S181-Q184 WeakPolarHBondContact O-CA 3.28Å; S181-Q184 PolarHBondContact O-N 3.48Å; S181-Q184 PolarHBondContact OG-OE1 3.4Å; Q184-L188 WeakPolarHBondContact O-CA 3.47Å; Q184-L188 WeakPolarHBondContact O-CB 3.38Å; Q184-L188 PolarHBondContact O-N 3.05Å
185	F	45.4	Very low	53.3	Low	76 Å²	76	91.8 Å²	91.8	33%	0.333	50%	0.504	S	S	.	.	H	α-helix	trans	-77.2	-26.9	165.5	-169.1	-89.3	0	0	0	109.4	Q179 I180 S181 G183 M189	Q179-F185 WeakPolarHBondContact O-CD2 3.21Å; I180-F185 HydrophobicContact CB-CD2 4.15Å; I180-F185 HydrophobicContact CG2-CB 4.06Å; I180-F185 HydrophobicContact CG2-CD2 4.41Å; S181-F185 WeakPolarHBondContact O-CB 3.17Å; S181-F185 PolarHBondContact O-N 3.2Å; G183-F185 VanDerWaalsContact C-N 3.32Å; F185-M189 HydrophobicContact CD1-CG 3.62Å; F185-M189 HydrophobicContact CE1-CG 3.45Å; F185-M189 VanDerWaalsContact CE1-CG 3.45Å; F185-M189 HydrophobicContact CE1-SD 4.22Å; F185-M189 HydrophobicContact CG-CG 4.27Å; F185-M189 HydrophobicContact CZ-CG 3.96Å; F185-M189 HydrophobicContact CZ-SD 4.24Å; F185-M189 WeakPolarHBondContact O-CA 3.08Å; F185-M189 WeakPolarHBondContact O-CB 3.43Å; F185-M189 WeakPolarHBondContact O-CG 3.45Å; F185-M189 PolarHBondContact O-N 3.12Å
186	G	57.2	Low	55.1	Low	30 Å²	30	91.6 Å²	91.6	31%	0.309	49%	0.491	S	S	.	.	H	α-helix	trans	-67.2	-47.7	165.7	0	0	0	0	0	112.1	D182 G183 M189 T190	D182-G186 WeakPolarHBondContact O-CA 3.45Å; D182-G186 PolarHBondContact O-N 2.85Å; G183-G186 CarbonylContact O-C 3.6Å; G183-G186 VanDerWaalsContact O-CA 3.32Å; G183-G186 WeakPolarHBondContact O-CA 3.49Å; G183-G186 PolarHBondContact O-N 3.42Å; G186-M189 PolarHBondContact O-N 3.37Å; G186-T190 WeakPolarHBondContact O-CG2 3.34Å; G186-T190 PolarHBondContact O-N 2.96Å; G186-T190 PolarHBondContact O-OG1 3.24Å
187	E	60.5	Low	57.3	Low	125 Å²	125	88.3 Å²	88.3	58%	0.584	48%	0.475	S	S	*	.	H	α-helix	trans	-66.7	-40.4	173	-69	-177.1	150.7	0	0	111.7	G183 T190 M191	G183-E187 PolarHBondContact O-N 3.28Å; E187-T190 WeakPolarHBondContact CA-OG1 3.36Å; E187-T190 PolarHBondContact O-N 3.43Å; E187-T190 PolarHBondContact O-OG1 3.03Å; E187-M191 WeakPolarHBondContact O-CB 3.23Å; E187-M191 WeakPolarHBondContact O-CG 3.46Å; E187-M191 PolarHBondContact O-N 3.4Å
188	L	62.3	Low	59.8	Low	53 Å²	53	88.3 Å²	88.3	28%	0.277	46%	0.457	S	S	.	.	H	α-helix	trans	-68.9	-37.5	173.6	-172.8	71.1	0	0	0	111.7	I180 Q184 T190 M191 I192	I180-L188 HydrophobicContact CD1-CD2 3.49Å; I180-L188 VanDerWaalsContact CD1-CD2 3.49Å; I180-L188 HydrophobicContact CG2-CD2 4.28Å; Q184-L188 WeakPolarHBondContact O-CA 3.47Å; Q184-L188 WeakPolarHBondContact O-CB 3.38Å; Q184-L188 PolarHBondContact O-N 3.05Å; L188-T190 VanDerWaalsContact C-N 3.29Å; L188-T190 PolarHBondContact O-N 2.72Å; L188-M191 HydrophobicContact CD1-CE 4.4Å; L188-M191 CarbonylContact O-C 3.52Å; L188-M191 PolarHBondContact O-N 3.34Å; L188-I192 HydrophobicContact CD1-CD1 4.42Å; L188-I192 HydrophobicContact CD1-CG1 4.46Å; L188-I192 HydrophobicContact CD2-CD1 4.16Å; L188-I192 HydrophobicContact CG-CD1 3.77Å; L188-I192 HydrophobicContact CG-CG1 4.21Å; L188-I192 WeakPolarHBondContact O-CA 3.48Å; L188-I192 VanDerWaalsContact O-CB 3.24Å; L188-I192 WeakPolarHBondContact O-CB 3.47Å; L188-I192 WeakPolarHBondContact O-CG1 3.44Å; L188-I192 PolarHBondContact O-N 3.28Å
189	M	68.1	Low	61.7	Low	59 Å²	59	85.2 Å²	85.2	29%	0.291	45%	0.445	S	S	.	.	H	α-helix	trans	-78	-11.5	175.5	-72.6	-69.8	-79	0	0	113	F185 G186 I192 R193	F185-M189 HydrophobicContact CD1-CG 3.62Å; F185-M189 HydrophobicContact CE1-CG 3.45Å; F185-M189 VanDerWaalsContact CE1-CG 3.45Å; F185-M189 HydrophobicContact CE1-SD 4.22Å; F185-M189 HydrophobicContact CG-CG 4.27Å; F185-M189 HydrophobicContact CZ-CG 3.96Å; F185-M189 HydrophobicContact CZ-SD 4.24Å; F185-M189 WeakPolarHBondContact O-CA 3.08Å; F185-M189 WeakPolarHBondContact O-CB 3.43Å; F185-M189 WeakPolarHBondContact O-CG 3.45Å; F185-M189 PolarHBondContact O-N 3.12Å; G186-M189 PolarHBondContact O-N 3.37Å; M189-I192 HydrophobicContact SD-CD1 4.1Å; M189-I192 HydrophobicContact SD-CG2 4.5Å; M189-R193 VanDerWaalsContact O-CB 3.22Å; M189-R193 WeakPolarHBondContact O-CB 3.27Å; M189-R193 WeakPolarHBondContact O-CG 2.78Å; M189-R193 PolarHBondContact O-N 3.23Å; M189-R193 PolarHBondContact O-NE 3.38Å
190	T	70.8	Confident	63.7	Low	84 Å²	84	84.4 Å²	84.4	52%	0.515	44%	0.444	S	S	.	.	H	α-helix	trans	-90.5	-31.5	164.1	51.3	0	0	0	0	111.7	G186 E187 L188 S194	G186-T190 WeakPolarHBondContact O-CG2 3.34Å; G186-T190 PolarHBondContact O-N 2.96Å; G186-T190 PolarHBondContact O-OG1 3.24Å; E187-T190 WeakPolarHBondContact CA-OG1 3.36Å; E187-T190 PolarHBondContact O-N 3.43Å; E187-T190 PolarHBondContact O-OG1 3.03Å; L188-T190 VanDerWaalsContact C-N 3.29Å; L188-T190 PolarHBondContact O-N 2.72Å; T190-S194 WeakPolarHBondContact O-CB 3.41Å; T190-S194 PolarHBondContact O-N 3.05Å
191	M	70.7	Confident	65.5	Low	118 Å²	118	86.6 Å²	86.6	58%	0.581	45%	0.446	S	S	*	.	H	α-helix	trans	-67.1	-41.9	167	-76	-172.6	-75	0	0	112.3	E187 L188 S194 A195	E187-M191 WeakPolarHBondContact O-CB 3.23Å; E187-M191 WeakPolarHBondContact O-CG 3.46Å; E187-M191 PolarHBondContact O-N 3.4Å; L188-M191 HydrophobicContact CD1-CE 4.4Å; L188-M191 CarbonylContact O-C 3.52Å; L188-M191 PolarHBondContact O-N 3.34Å; M191-S194 CarbonylContact O-C 3.57Å; M191-S194 PolarHBondContact O-N 3.44Å; M191-A195 VanDerWaalsContact O-CB 3.28Å; M191-A195 WeakPolarHBondContact O-CB 3.49Å; M191-A195 PolarHBondContact O-N 3.23Å
192	I	71.2	Confident	67.1	Low	62 Å²	62	89.6 Å²	89.6	32%	0.318	46%	0.458	S	S	.	.	H	α-helix	trans	-64.2	-51.9	171.8	-71.7	168	0	0	0	108.8	L188 M189 S194 A195 E196	L188-I192 HydrophobicContact CD1-CD1 4.42Å; L188-I192 HydrophobicContact CD1-CG1 4.46Å; L188-I192 HydrophobicContact CD2-CD1 4.16Å; L188-I192 HydrophobicContact CG-CD1 3.77Å; L188-I192 HydrophobicContact CG-CG1 4.21Å; L188-I192 WeakPolarHBondContact O-CA 3.48Å; L188-I192 VanDerWaalsContact O-CB 3.24Å; L188-I192 WeakPolarHBondContact O-CB 3.47Å; L188-I192 WeakPolarHBondContact O-CG1 3.44Å; L188-I192 PolarHBondContact O-N 3.28Å; M189-I192 HydrophobicContact SD-CD1 4.1Å; M189-I192 HydrophobicContact SD-CG2 4.5Å; I192-S194 PolarHBondContact O-N 2.97Å; I192-A195 CarbonylContact O-C 3.49Å; I192-A195 WeakPolarHBondContact O-CA 3.44Å; I192-A195 WeakPolarHBondContact O-CB 3.45Å; I192-A195 PolarHBondContact O-N 3.45Å; I192-E196 HydrophobicContact CG2-CG 4.02Å; I192-E196 WeakPolarHBondContact O-CB 3.13Å; I192-E196 VanDerWaalsContact O-CG 3.31Å; I192-E196 WeakPolarHBondContact O-CG 3.39Å; I192-E196 PolarHBondContact O-N 3.2Å
193	R	73.9	Confident	68.5	Low	146 Å²	146	87.3 Å²	87.3	55%	0.551	45%	0.446	S	S	*	.	H	α-helix	trans	-63.1	-24.9	175.9	-80.3	178.6	-80.4	-167.1	-6.9	114.1	M189 E196 K197	M189-R193 VanDerWaalsContact O-CB 3.22Å; M189-R193 WeakPolarHBondContact O-CB 3.27Å; M189-R193 WeakPolarHBondContact O-CG 2.78Å; M189-R193 PolarHBondContact O-N 3.23Å; M189-R193 PolarHBondContact O-NE 3.38Å; R193-E196 WeakPolarHBondContact CA-OE2 3.11Å; R193-E196 WeakPolarHBondContact CG-OE2 3.44Å; R193-K197 WeakPolarHBondContact O-CB 3.44Å; R193-K197 PolarHBondContact O-N 3.27Å
194	S	75.1	Confident	70	Confident	59 Å²	59	92 Å²	92	41%	0.413	46%	0.461	S	S	.	.	H	α-helix	trans	-74.8	-41.6	170.6	-169.5	0	0	0	0	111.3	T190 M191 I192 K197 N198	T190-S194 WeakPolarHBondContact O-CB 3.41Å; T190-S194 PolarHBondContact O-N 3.05Å; M191-S194 CarbonylContact O-C 3.57Å; M191-S194 PolarHBondContact O-N 3.44Å; I192-S194 PolarHBondContact O-N 2.97Å; S194-K197 PolarHBondContact O-N 3.17Å; S194-N198 WeakPolarHBondContact O-CB 3.11Å; S194-N198 PolarHBondContact O-N 3.12Å; S194-N198 PolarHBondContact O-ND2 2.95Å
195	A	72.7	Confident	71.5	Confident	46 Å²	46	88.9 Å²	88.9	38%	0.38	46%	0.456	S	S	.	.	H	α-helix	trans	-65.5	-49.3	174.5	0	0	0	0	0	111.4	M191 I192 K197 N198 I199	M191-A195 VanDerWaalsContact O-CB 3.28Å; M191-A195 WeakPolarHBondContact O-CB 3.49Å; M191-A195 PolarHBondContact O-N 3.23Å; I192-A195 CarbonylContact O-C 3.49Å; I192-A195 WeakPolarHBondContact O-CA 3.44Å; I192-A195 WeakPolarHBondContact O-CB 3.45Å; I192-A195 PolarHBondContact O-N 3.45Å; A195-K197 VanDerWaalsContact C-N 3.3Å; A195-K197 PolarHBondContact O-N 2.97Å; A195-N198 CarbonylContact O-C 3.57Å; A195-N198 PolarHBondContact O-N 2.94Å; A195-N198 VanDerWaalsContact O-N 3.1Å; A195-I199 WeakPolarHBondContact O-CB 3.18Å; A195-I199 WeakPolarHBondContact O-CG1 3.47Å; A195-I199 PolarHBondContact O-N 3.37Å
196	E	73.9	Confident	73	Confident	98 Å²	98	92 Å²	92	46%	0.458	47%	0.466	S	S	.	.	H	α-helix	trans	-53.3	-44.9	170.2	-70.8	173.9	150.9	0	0	111.3	I192 R193 I199 L200	I192-E196 HydrophobicContact CG2-CG 4.02Å; I192-E196 WeakPolarHBondContact O-CB 3.13Å; I192-E196 VanDerWaalsContact O-CG 3.31Å; I192-E196 WeakPolarHBondContact O-CG 3.39Å; I192-E196 PolarHBondContact O-N 3.2Å; R193-E196 WeakPolarHBondContact CA-OE2 3.11Å; R193-E196 WeakPolarHBondContact CG-OE2 3.44Å; E196-I199 PolarHBondContact O-N 3.35Å; E196-L200 VanDerWaalsContact O-CB 3.29Å; E196-L200 WeakPolarHBondContact O-CB 3.44Å; E196-L200 WeakPolarHBondContact O-CG 3.45Å; E196-L200 PolarHBondContact O-N 3.49Å
197	K	78.5	Confident	74	Confident	119 Å²	119	93.3 Å²	93.3	52%	0.517	47%	0.473	S	S	.	.	H	α-helix	trans	-68	-33.8	177	-176.9	174.1	-177.3	176.3	0	112.9	R193 S194 A195 R201	R193-K197 WeakPolarHBondContact O-CB 3.44Å; R193-K197 PolarHBondContact O-N 3.27Å; S194-K197 PolarHBondContact O-N 3.17Å; A195-K197 VanDerWaalsContact C-N 3.3Å; A195-K197 PolarHBondContact O-N 2.97Å; K197-R201 WeakPolarHBondContact O-CB 3.41Å; K197-R201 WeakPolarHBondContact O-CD 3.35Å; K197-R201 VanDerWaalsContact O-CG 3.24Å; K197-R201 WeakPolarHBondContact O-CG 3.49Å; K197-R201 PolarHBondContact O-N 3.27Å
198	N	79.4	Confident	75.1	Confident	74 Å²	74	91.2 Å²	91.2	40%	0.396	47%	0.469	S	S	.	.	H	α-helix	trans	-78	-32.9	175.9	-70.4	-17.1	0	0	0	111.7	S194 A195 R201 L202	S194-N198 WeakPolarHBondContact O-CB 3.11Å; S194-N198 PolarHBondContact O-N 3.12Å; S194-N198 PolarHBondContact O-ND2 2.95Å; A195-N198 CarbonylContact O-C 3.57Å; A195-N198 PolarHBondContact O-N 2.94Å; A195-N198 VanDerWaalsContact O-N 3.1Å; N198-R201 PolarHBondContact O-N 3.34Å; N198-L202 VanDerWaalsContact O-CB 3.32Å; N198-L202 WeakPolarHBondContact O-CB 3.49Å; N198-L202 WeakPolarHBondContact O-CD1 3.25Å; N198-L202 VanDerWaalsContact O-CG 3.25Å; N198-L202 WeakPolarHBondContact O-CG 3.08Å; N198-L202 PolarHBondContact O-N 3.33Å
199	I	75.3	Confident	75.9	Confident	102 Å²	102	91.6 Å²	91.6	52%	0.523	48%	0.48	S	S	.	.	H	α-helix	trans	-66.4	-46.1	170.3	-71.2	163	0	0	0	109.5	A195 E196 R201 L202 D203	A195-I199 WeakPolarHBondContact O-CB 3.18Å; A195-I199 WeakPolarHBondContact O-CG1 3.47Å; A195-I199 PolarHBondContact O-N 3.37Å; E196-I199 PolarHBondContact O-N 3.35Å; I199-R201 VanDerWaalsContact C-N 3.33Å; I199-R201 PolarHBondContact O-N 2.81Å; I199-L202 CarbonylContact O-C 3.58Å; I199-L202 PolarHBondContact O-N 3.11Å; I199-L202 VanDerWaalsContact O-N 3.15Å; I199-D203 WeakPolarHBondContact O-CB 3.08Å; I199-D203 PolarHBondContact O-N 2.96Å
200	L	77.2	Confident	76.4	Confident	110 Å²	110	92.7 Å²	92.7	58%	0.576	49%	0.487	S	S	*	.	H	α-helix	trans	-57.8	-44.5	172.5	-83.2	163.6	0	0	0	111.4	E196 D203 E204	E196-L200 VanDerWaalsContact O-CB 3.29Å; E196-L200 WeakPolarHBondContact O-CB 3.44Å; E196-L200 WeakPolarHBondContact O-CG 3.45Å; E196-L200 PolarHBondContact O-N 3.49Å; L200-D203 PolarHBondContact O-N 3.01Å; L200-E204 VanDerWaalsContact O-CB 3.32Å; L200-E204 WeakPolarHBondContact O-CB 3.2Å; L200-E204 VanDerWaalsContact O-CG 3.26Å; L200-E204 WeakPolarHBondContact O-CG 3.15Å; L200-E204 PolarHBondContact O-N 3.09Å
201	R	78.9	Confident	76.9	Confident	140 Å²	140	94.1 Å²	94.1	53%	0.528	49%	0.491	S	S	.	.	H	α-helix	trans	-66.4	-34.4	174.8	-77.7	165.6	159.7	-171.6	-14.3	113.7	K197 N198 I199 A205	K197-R201 WeakPolarHBondContact O-CB 3.41Å; K197-R201 WeakPolarHBondContact O-CD 3.35Å; K197-R201 VanDerWaalsContact O-CG 3.24Å; K197-R201 WeakPolarHBondContact O-CG 3.49Å; K197-R201 PolarHBondContact O-N 3.27Å; N198-R201 PolarHBondContact O-N 3.34Å; I199-R201 VanDerWaalsContact C-N 3.33Å; I199-R201 PolarHBondContact O-N 2.81Å; R201-A205 WeakPolarHBondContact O-CB 3.39Å; R201-A205 PolarHBondContact O-N 3.08Å
202	L	77.1	Confident	77.4	Confident	106 Å²	106	92.1 Å²	92.1	56%	0.555	48%	0.483	S	S	*	.	H	α-helix	trans	-70.8	-37.3	174.6	-79.8	164.3	0	0	0	111.1	N198 I199 R206	N198-L202 VanDerWaalsContact O-CB 3.32Å; N198-L202 WeakPolarHBondContact O-CB 3.49Å; N198-L202 WeakPolarHBondContact O-CD1 3.25Å; N198-L202 VanDerWaalsContact O-CG 3.25Å; N198-L202 WeakPolarHBondContact O-CG 3.08Å; N198-L202 PolarHBondContact O-N 3.33Å; I199-L202 CarbonylContact O-C 3.58Å; I199-L202 PolarHBondContact O-N 3.11Å; I199-L202 VanDerWaalsContact O-N 3.15Å; L202-R206 WeakPolarHBondContact O-CB 3.47Å; L202-R206 PolarHBondContact O-N 3.22Å
203	D	74.1	Confident	77.8	Confident	78 Å²	78	93.2 Å²	93.2	42%	0.417	49%	0.489	S	S	.	.	H	α-helix	trans	-77.9	-30.5	175.5	-94.5	16.8	0	0	0	112.8	I199 L200 R206 A207	I199-D203 WeakPolarHBondContact O-CB 3.08Å; I199-D203 PolarHBondContact O-N 2.96Å; L200-D203 PolarHBondContact O-N 3.01Å; D203-R206 IonicContact OD1-CZ 2.72Å; D203-R206 IonicContact OD1-NH1 2.69Å; D203-R206 PolarHBondContact OD1-NH1 3.42Å; D203-R206 IonicContact OD2-NH1 3.48Å; D203-R206 PolarHBondContact OD2-NH1 2.91Å; D203-A207 WeakPolarHBondContact O-CB 3.06Å; D203-A207 PolarHBondContact O-N 3.27Å
204	E	79.5	Confident	78.1	Confident	123 Å²	123	89.9 Å²	89.9	58%	0.575	48%	0.482	S	S	*	.	H	α-helix	trans	-62.2	-51.7	164.8	-77.8	172.3	163.5	0	0	110	L200 R206 A207 T208	L200-E204 VanDerWaalsContact O-CB 3.32Å; L200-E204 WeakPolarHBondContact O-CB 3.2Å; L200-E204 VanDerWaalsContact O-CG 3.26Å; L200-E204 WeakPolarHBondContact O-CG 3.15Å; L200-E204 PolarHBondContact O-N 3.09Å; E204-R206 VanDerWaalsContact C-N 3.32Å; E204-R206 PolarHBondContact O-N 3.41Å; E204-A207 PolarHBondContact O-N 3.22Å; E204-T208 PolarHBondContact O-N 2.72Å; E204-T208 PolarHBondContact O-OG1 3.15Å; E204-T208 VanDerWaalsContact O-OG1 3.06Å
205	A	79.1	Confident	78.6	Confident	58 Å²	58	92.9 Å²	92.9	48%	0.479	49%	0.487	S	S	.	.	H	α-helix	trans	-63	-36.7	177.8	0	0	0	0	0	112.6	R201 A209	R201-A205 WeakPolarHBondContact O-CB 3.39Å; R201-A205 PolarHBondContact O-N 3.08Å; A205-A209 VanDerWaalsContact O-CB 3.24Å; A205-A209 WeakPolarHBondContact O-CB 3.4Å; A205-A209 PolarHBondContact O-N 3.13Å
206	R	78.6	Confident	79	Confident	143 Å²	143	95.9 Å²	95.9	54%	0.54	50%	0.496	S	S	.	.	H	α-helix	trans	-70	-37	174.3	179.9	-174.6	134	-139.9	-6.4	111.7	L202 D203 E204 L210	L202-R206 WeakPolarHBondContact O-CB 3.47Å; L202-R206 PolarHBondContact O-N 3.22Å; D203-R206 IonicContact OD1-CZ 2.72Å; D203-R206 IonicContact OD1-NH1 2.69Å; D203-R206 PolarHBondContact OD1-NH1 3.42Å; D203-R206 IonicContact OD2-NH1 3.48Å; D203-R206 PolarHBondContact OD2-NH1 2.91Å; E204-R206 VanDerWaalsContact C-N 3.32Å; E204-R206 PolarHBondContact O-N 3.41Å; R206-L210 HydrophobicContact CG-CD1 4.17Å; R206-L210 WeakPolarHBondContact O-CB 3.23Å; R206-L210 WeakPolarHBondContact O-CD1 3.43Å; R206-L210 WeakPolarHBondContact O-CG 3.25Å; R206-L210 PolarHBondContact O-N 3.47Å
207	A	78	Confident	79.2	Confident	56 Å²	56	94.9 Å²	94.9	46%	0.463	49%	0.493	S	S	.	.	H	α-helix	trans	-66.3	-46.6	174.1	0	0	0	0	0	110.8	D203 E204 A209 L210 D211	D203-A207 WeakPolarHBondContact O-CB 3.06Å; D203-A207 PolarHBondContact O-N 3.27Å; E204-A207 PolarHBondContact O-N 3.22Å; A207-A209 PolarHBondContact O-N 3.09Å; A207-L210 PolarHBondContact O-N 3.4Å; A207-L210 VanDerWaalsContact O-N 3.16Å; A207-D211 PolarHBondContact O-N 3.2Å
208	T	83	Confident	79.3	Confident	82 Å²	82	92.6 Å²	92.6	50%	0.503	49%	0.493	S	S	.	.	H	α-helix	trans	-58.9	-46	172.8	-54.2	0	0	0	0	111.4	E204 L210 D211 D212	E204-T208 PolarHBondContact O-N 2.72Å; E204-T208 PolarHBondContact O-OG1 3.15Å; E204-T208 VanDerWaalsContact O-OG1 3.06Å; T208-L210 VanDerWaalsContact C-N 3.26Å; T208-L210 PolarHBondContact O-N 2.93Å; T208-D211 PolarHBondContact O-N 3.24Å; T208-D211 VanDerWaalsContact O-N 3.16Å; T208-D212 WeakPolarHBondContact O-CB 3.45Å; T208-D212 PolarHBondContact O-N 2.86Å
209	A	78.5	Confident	79.5	Confident	60 Å²	60	93.1 Å²	93.1	50%	0.496	50%	0.495	S	S	.	.	H	α-helix	trans	-66.2	-25.2	177.6	0	0	0	0	0	113.8	A205 A207 L213	A205-A209 VanDerWaalsContact O-CB 3.24Å; A205-A209 WeakPolarHBondContact O-CB 3.4Å; A205-A209 PolarHBondContact O-N 3.13Å; A207-A209 PolarHBondContact O-N 3.09Å; A209-L213 WeakPolarHBondContact O-CB 3.47Å; A209-L213 PolarHBondContact O-N 2.73Å; A209-L213 VanDerWaalsContact O-N 3.1Å
210	L	78.8	Confident	79.8	Confident	83 Å²	83	94.7 Å²	94.7	44%	0.435	50%	0.498	S	S	.	.	H	α-helix	trans	-79.3	-35.5	171.7	-75.8	167.3	0	0	0	112	R206 A207 T208 L213 N214	R206-L210 HydrophobicContact CG-CD1 4.17Å; R206-L210 WeakPolarHBondContact O-CB 3.23Å; R206-L210 WeakPolarHBondContact O-CD1 3.43Å; R206-L210 WeakPolarHBondContact O-CG 3.25Å; R206-L210 PolarHBondContact O-N 3.47Å; A207-L210 PolarHBondContact O-N 3.4Å; A207-L210 VanDerWaalsContact O-N 3.16Å; T208-L210 VanDerWaalsContact C-N 3.26Å; T208-L210 PolarHBondContact O-N 2.93Å; L210-L213 PolarHBondContact O-N 3.36Å; L210-N214 WeakPolarHBondContact O-CB 3.08Å; L210-N214 VanDerWaalsContact O-CG 3.26Å; L210-N214 PolarHBondContact O-N 3Å
211	D	80.8	Confident	80	Confident	114 Å²	114	96.4 Å²	96.4	61%	0.61	50%	0.503	S	S	*	.	H	α-helix	trans	-67.4	-46.7	173.9	-163.9	58.7	0	0	0	110.9	A207 T208 L213 N214 K215	A207-D211 PolarHBondContact O-N 3.2Å; T208-D211 PolarHBondContact O-N 3.24Å; T208-D211 VanDerWaalsContact O-N 3.16Å; D211-L213 VanDerWaalsContact C-N 3.32Å; D211-L213 PolarHBondContact O-N 3.13Å; D211-N214 PolarHBondContact O-N 3.04Å; D211-K215 VanDerWaalsContact O-CB 3.26Å; D211-K215 WeakPolarHBondContact O-CB 3.2Å; D211-K215 PolarHBondContact O-N 3.22Å
212	D	82.6	Confident	80.2	Confident	76 Å²	76	92.5 Å²	92.5	41%	0.406	50%	0.501	S	S	.	.	H	α-helix	trans	-59.7	-39.8	171.3	-79.5	-40.2	0	0	0	111.8	T208 K215 I216	T208-D212 WeakPolarHBondContact O-CB 3.45Å; T208-D212 PolarHBondContact O-N 2.86Å; D212-K215 PolarHBondContact O-N 3.2Å; D212-I216 WeakPolarHBondContact O-CB 3.4Å; D212-I216 WeakPolarHBondContact O-CD1 3.29Å; D212-I216 WeakPolarHBondContact O-CG1 3.48Å; D212-I216 PolarHBondContact O-N 2.96Å
213	L	79.3	Confident	80.5	Confident	85 Å²	85	92.3 Å²	92.3	45%	0.445	50%	0.5	S	S	.	.	H	α-helix	trans	-66.3	-45.2	175.6	179.8	63.2	0	0	0	112.1	A209 L210 D211 K215 I216 L217	A209-L213 WeakPolarHBondContact O-CB 3.47Å; A209-L213 PolarHBondContact O-N 2.73Å; A209-L213 VanDerWaalsContact O-N 3.1Å; L210-L213 PolarHBondContact O-N 3.36Å; D211-L213 VanDerWaalsContact C-N 3.32Å; D211-L213 PolarHBondContact O-N 3.13Å; L213-K215 VanDerWaalsContact C-N 3.3Å; L213-K215 PolarHBondContact O-N 2.91Å; L213-I216 PolarHBondContact O-N 3.14Å; L213-L217 HydrophobicContact CD1-CD1 4.48Å; L213-L217 HydrophobicContact CG-CD1 4.23Å; L213-L217 WeakPolarHBondContact O-CB 3.34Å; L213-L217 VanDerWaalsContact O-CG 3.31Å; L213-L217 WeakPolarHBondContact O-CG 3.44Å; L213-L217 PolarHBondContact O-N 3.03Å
214	N	80.3	Confident	80.7	Confident	76 Å²	76	93.1 Å²	93.1	41%	0.406	50%	0.501	S	S	.	.	H	α-helix	trans	-61.8	-40.4	176.1	-78	-3.7	0	0	0	111.2	L210 D211 L217 S218	L210-N214 WeakPolarHBondContact O-CB 3.08Å; L210-N214 VanDerWaalsContact O-CG 3.26Å; L210-N214 PolarHBondContact O-N 3Å; D211-N214 PolarHBondContact O-N 3.04Å; N214-L217 PolarHBondContact O-N 2.75Å; N214-S218 WeakPolarHBondContact O-CB 3.43Å; N214-S218 PolarHBondContact O-N 3.24Å
215	K	85	Confident	80.7	Confident	121 Å²	121	88.9 Å²	88.9	53%	0.526	49%	0.49	S	S	.	.	H	α-helix	trans	-64	-45.6	174.6	-178	-178.1	171.3	-166.8	0	112.2	D211 D212 L213 L217 S218 D219	D211-K215 VanDerWaalsContact O-CB 3.26Å; D211-K215 WeakPolarHBondContact O-CB 3.2Å; D211-K215 PolarHBondContact O-N 3.22Å; D212-K215 PolarHBondContact O-N 3.2Å; L213-K215 VanDerWaalsContact C-N 3.3Å; L213-K215 PolarHBondContact O-N 2.91Å; K215-L217 VanDerWaalsContact C-N 3.27Å; K215-L217 PolarHBondContact O-N 2.79Å; K215-S218 PolarHBondContact O-N 2.74Å; K215-D219 WeakPolarHBondContact O-CB 3.39Å; K215-D219 PolarHBondContact O-N 2.93Å
216	I	81.5	Confident	81	Confident	109 Å²	109	92.1 Å²	92.1	56%	0.559	50%	0.495	S	S	*	.	H	α-helix	trans	-62	-35.8	174.7	-72.2	164.5	0	0	0	111.3	D212 L213 K220	D212-I216 WeakPolarHBondContact O-CB 3.4Å; D212-I216 WeakPolarHBondContact O-CD1 3.29Å; D212-I216 WeakPolarHBondContact O-CG1 3.48Å; D212-I216 PolarHBondContact O-N 2.96Å; L213-I216 PolarHBondContact O-N 3.14Å; I216-K220 WeakPolarHBondContact O-CB 3.18Å; I216-K220 PolarHBondContact O-N 3.27Å
217	L	78.2	Confident	81.1	Confident	78 Å²	78	89.1 Å²	89.1	41%	0.408	49%	0.489	S	S	.	.	H	α-helix	trans	-68.3	-44.9	173.6	-72	169.3	0	0	0	111.8	L213 N214 K215 K220 E221	L213-L217 HydrophobicContact CD1-CD1 4.48Å; L213-L217 HydrophobicContact CG-CD1 4.23Å; L213-L217 WeakPolarHBondContact O-CB 3.34Å; L213-L217 VanDerWaalsContact O-CG 3.31Å; L213-L217 WeakPolarHBondContact O-CG 3.44Å; L213-L217 PolarHBondContact O-N 3.03Å; N214-L217 PolarHBondContact O-N 2.75Å; K215-L217 VanDerWaalsContact C-N 3.27Å; K215-L217 PolarHBondContact O-N 2.79Å; L217-K220 WeakPolarHBondContact O-CB 3.31Å; L217-K220 PolarHBondContact O-N 3.36Å; L217-E221 WeakPolarHBondContact O-CG 3.48Å; L217-E221 PolarHBondContact O-N 2.8Å
218	S	80.6	Confident	81.3	Confident	71 Å²	71	90.4 Å²	90.4	50%	0.497	49%	0.488	S	S	.	.	H	α-helix	trans	-59.3	-47	173.8	172.8	0	0	0	0	112.1	N214 K215 K220 E221 A222	N214-S218 WeakPolarHBondContact O-CB 3.43Å; N214-S218 PolarHBondContact O-N 3.24Å; K215-S218 PolarHBondContact O-N 2.74Å; S218-K220 VanDerWaalsContact C-N 3.31Å; S218-K220 PolarHBondContact O-N 2.95Å; S218-E221 PolarHBondContact O-N 3.29Å; S218-A222 WeakPolarHBondContact O-CB 3.35Å; S218-A222 PolarHBondContact O-N 3.1Å
219	D	83.8	Confident	81.2	Confident	85 Å²	85	89.4 Å²	89.4	46%	0.455	48%	0.482	S	S	.	.	H	α-helix	trans	-63.4	-38	177.3	-72.5	-18.9	0	0	0	111	K215 L223	K215-D219 WeakPolarHBondContact O-CB 3.39Å; K215-D219 PolarHBondContact O-N 2.93Å; D219-L223 WeakPolarHBondContact O-CB 3.19Å; D219-L223 VanDerWaalsContact O-CG 3.25Å; D219-L223 WeakPolarHBondContact O-CG 3.33Å; D219-L223 PolarHBondContact O-N 2.79Å
220	K	81.6	Confident	81.4	Confident	135 Å²	135	91.9 Å²	91.9	59%	0.587	49%	0.486	S	S	*	.	H	α-helix	trans	-66.1	-42.1	173.7	-179.5	-171.7	174.1	-168.7	0	112.4	I216 L217 S218 L223 Q224	I216-K220 WeakPolarHBondContact O-CB 3.18Å; I216-K220 PolarHBondContact O-N 3.27Å; L217-K220 WeakPolarHBondContact O-CB 3.31Å; L217-K220 PolarHBondContact O-N 3.36Å; S218-K220 VanDerWaalsContact C-N 3.31Å; S218-K220 PolarHBondContact O-N 2.95Å; K220-L223 PolarHBondContact O-N 2.9Å; K220-Q224 WeakPolarHBondContact O-CB 3.37Å; K220-Q224 PolarHBondContact O-N 3.22Å
221	E	80.2	Confident	81.5	Confident	146 Å²	146	93.8 Å²	93.8	68%	0.682	49%	0.493	S	S	*	.	H	α-helix	trans	-68.4	-38.7	177.2	-74.7	-174.2	178.1	0	0	111.7	L217 S218 Q224 G225	L217-E221 WeakPolarHBondContact O-CG 3.48Å; L217-E221 PolarHBondContact O-N 2.8Å; S218-E221 PolarHBondContact O-N 3.29Å; E221-Q224 PolarHBondContact O-N 3.12Å; E221-G225 PolarHBondContact O-N 3.39Å
222	A	83.7	Confident	81.4	Confident	57 Å²	57	93.6 Å²	93.6	47%	0.471	49%	0.49	S	S	.	.	H	α-helix	trans	-60.3	-48.5	171.5	0	0	0	0	0	111.6	S218 Q224 G225 E226	S218-A222 WeakPolarHBondContact O-CB 3.35Å; S218-A222 PolarHBondContact O-N 3.1Å; A222-Q224 PolarHBondContact O-N 3.04Å; A222-G225 CarbonylContact O-C 3.51Å; A222-G225 WeakPolarHBondContact O-CA 3.4Å; A222-G225 PolarHBondContact O-N 3.37Å; A222-G225 VanDerWaalsContact O-N 3.13Å; A222-E226 PolarHBondContact O-N 3.2Å
223	L	82.8	Confident	81.4	Confident	103 Å²	103	95.4 Å²	95.4	54%	0.539	49%	0.494	S	S	.	.	H	α-helix	trans	-63.2	-39	176.3	-74.4	169.2	0	0	0	112.7	D219 K220 G225 E226 I227	D219-L223 WeakPolarHBondContact O-CB 3.19Å; D219-L223 VanDerWaalsContact O-CG 3.25Å; D219-L223 WeakPolarHBondContact O-CG 3.33Å; D219-L223 PolarHBondContact O-N 2.79Å; K220-L223 PolarHBondContact O-N 2.9Å; L223-G225 VanDerWaalsContact C-N 3.31Å; L223-G225 PolarHBondContact O-N 3.13Å; L223-E226 PolarHBondContact O-N 3.39Å; L223-I227 VanDerWaalsContact O-CG1 3.3Å; L223-I227 WeakPolarHBondContact O-CG1 3.46Å; L223-I227 PolarHBondContact O-N 2.98Å
224	Q	79.4	Confident	81.5	Confident	95 Å²	95	96.6 Å²	96.6	44%	0.444	50%	0.5	S	S	.	.	H	α-helix	trans	-65.5	-36.5	173.3	-171	64.4	65.7	0	0	111.3	K220 E221 A222 I227 N228	K220-Q224 WeakPolarHBondContact O-CB 3.37Å; K220-Q224 PolarHBondContact O-N 3.22Å; E221-Q224 PolarHBondContact O-N 3.12Å; A222-Q224 PolarHBondContact O-N 3.04Å; Q224-I227 PolarHBondContact O-N 3.28Å; Q224-N228 PolarHBondContact NE2-OD1 2.72Å; Q224-N228 WeakPolarHBondContact O-CB 2.98Å; Q224-N228 PolarHBondContact O-N 2.65Å; Q224-N228 PolarHBondContact O-ND2 3.48Å; Q224-N228 PolarHBondContact O-OD1 2.91Å; Q224-N228 VanDerWaalsContact O-OD1 3.07Å
225	G	79.7	Confident	81.2	Confident	33 Å²	33	96.3 Å²	96.3	34%	0.34	50%	0.504	S	S	.	.	H	α-helix	trans	-60.4	-45.2	170.5	0	0	0	0	0	112.7	E221 A222 L223 N228 V229	E221-G225 PolarHBondContact O-N 3.39Å; A222-G225 CarbonylContact O-C 3.51Å; A222-G225 WeakPolarHBondContact O-CA 3.4Å; A222-G225 PolarHBondContact O-N 3.37Å; A222-G225 VanDerWaalsContact O-N 3.13Å; L223-G225 VanDerWaalsContact C-N 3.31Å; L223-G225 PolarHBondContact O-N 3.13Å; G225-N228 PolarHBondContact O-N 2.89Å; G225-V229 WeakPolarHBondContact O-CB 3.28Å; G225-V229 VanDerWaalsContact O-CG2 3.3Å; G225-V229 WeakPolarHBondContact O-CG2 3.29Å; G225-V229 PolarHBondContact O-N 2.81Å
226	E	84.6	Confident	80.9	Confident	126 Å²	126	94.5 Å²	94.5	59%	0.589	50%	0.498	S	S	*	.	H	α-helix	trans	-63.8	-42.3	175	-70.5	-165.5	174.6	0	0	112.4	A222 L223 V229 L230	A222-E226 PolarHBondContact O-N 3.2Å; L223-E226 PolarHBondContact O-N 3.39Å; E226-V229 PolarHBondContact O-N 3.14Å; E226-L230 WeakPolarHBondContact O-CB 3.46Å; E226-L230 VanDerWaalsContact O-CG 3.3Å; E226-L230 WeakPolarHBondContact O-CG 3.38Å; E226-L230 PolarHBondContact O-N 3.1Å
227	I	80.7	Confident	80.8	Confident	80 Å²	80	92.4 Å²	92.4	41%	0.41	49%	0.49	S	S	.	.	H	α-helix	trans	-59.2	-51.1	174.4	-71.2	165	0	0	0	110.4	L223 Q224 V229 L230 E231	L223-I227 VanDerWaalsContact O-CG1 3.3Å; L223-I227 WeakPolarHBondContact O-CG1 3.46Å; L223-I227 PolarHBondContact O-N 2.98Å; Q224-I227 PolarHBondContact O-N 3.28Å; I227-V229 VanDerWaalsContact C-N 3.26Å; I227-V229 PolarHBondContact O-N 3.29Å; I227-L230 CarbonylContact O-C 3.57Å; I227-L230 WeakPolarHBondContact O-CA 3.43Å; I227-L230 WeakPolarHBondContact O-CB 3.35Å; I227-L230 PolarHBondContact O-N 3.05Å; I227-E231 HydrophobicContact CG2-CG 4.45Å; I227-E231 PolarHBondContact O-N 3.23Å
228	N	81.4	Confident	80.7	Confident	83 Å²	83	93.1 Å²	93.1	44%	0.444	49%	0.494	S	S	.	.	H	α-helix	trans	-60.4	-37.2	179.3	-64.2	-1.7	0	0	0	111.7	Q224 G225 M232	Q224-N228 PolarHBondContact NE2-OD1 2.72Å; Q224-N228 WeakPolarHBondContact O-CB 2.98Å; Q224-N228 PolarHBondContact O-N 2.65Å; Q224-N228 PolarHBondContact O-ND2 3.48Å; Q224-N228 PolarHBondContact O-OD1 2.91Å; Q224-N228 VanDerWaalsContact O-OD1 3.07Å; G225-N228 PolarHBondContact O-N 2.89Å; N228-M232 WeakPolarHBondContact O-CB 3.46Å; N228-M232 PolarHBondContact O-N 2.96Å
229	V	82.6	Confident	80.5	Confident	62 Å²	62	94.2 Å²	94.2	38%	0.376	49%	0.492	S	S	.	.	H	α-helix	trans	-69.4	-33.7	174.5	166	0	0	0	0	112	G225 E226 I227 K233	G225-V229 WeakPolarHBondContact O-CB 3.28Å; G225-V229 VanDerWaalsContact O-CG2 3.3Å; G225-V229 WeakPolarHBondContact O-CG2 3.29Å; G225-V229 PolarHBondContact O-N 2.81Å; E226-V229 PolarHBondContact O-N 3.14Å; I227-V229 VanDerWaalsContact C-N 3.26Å; I227-V229 PolarHBondContact O-N 3.29Å; V229-K233 HydrophobicContact CG1-CD 4.04Å; V229-K233 WeakPolarHBondContact O-CB 3.39Å; V229-K233 WeakPolarHBondContact O-CD 3.43Å; V229-K233 WeakPolarHBondContact O-CG 3.3Å; V229-K233 PolarHBondContact O-N 2.69Å
230	L	81.9	Confident	80.2	Confident	111 Å²	111	97.6 Å²	97.6	58%	0.581	50%	0.498	S	S	*	.	H	α-helix	trans	-72.5	-40.9	174.8	-73.9	168.4	0	0	0	111.9	E226 I227 K233 L234	E226-L230 WeakPolarHBondContact O-CB 3.46Å; E226-L230 VanDerWaalsContact O-CG 3.3Å; E226-L230 WeakPolarHBondContact O-CG 3.38Å; E226-L230 PolarHBondContact O-N 3.1Å; I227-L230 CarbonylContact O-C 3.57Å; I227-L230 WeakPolarHBondContact O-CA 3.43Å; I227-L230 WeakPolarHBondContact O-CB 3.35Å; I227-L230 PolarHBondContact O-N 3.05Å; L230-K233 PolarHBondContact O-N 3.08Å; L230-L234 WeakPolarHBondContact O-CB 3.48Å; L230-L234 PolarHBondContact O-N 2.89Å
231	E	79.8	Confident	80	Confident	124 Å²	124	96.5 Å²	96.5	58%	0.579	50%	0.498	S	S	*	.	H	α-helix	trans	-62.7	-44.6	173.2	-70.1	-175.6	159.6	0	0	111.6	I227 K233 L234 S235	I227-E231 HydrophobicContact CG2-CG 4.45Å; I227-E231 PolarHBondContact O-N 3.23Å; E231-K233 PolarHBondContact O-N 3.42Å; E231-L234 WeakPolarHBondContact O-CB 3.41Å; E231-L234 PolarHBondContact O-N 2.86Å; E231-S235 PolarHBondContact O-N 3.08Å
232	M	79.4	Confident	79.8	Confident	110 Å²	110	94.6 Å²	94.6	54%	0.542	49%	0.487	S	S	.	.	H	α-helix	trans	-61.7	-43.2	174.3	-172	-177.5	75.4	0	0	111.6	N228 L234 S235 E236	N228-M232 WeakPolarHBondContact O-CB 3.46Å; N228-M232 PolarHBondContact O-N 2.96Å; M232-L234 VanDerWaalsContact C-N 3.34Å; M232-L234 PolarHBondContact O-N 2.86Å; M232-S235 PolarHBondContact O-N 3.06Å; M232-E236 PolarHBondContact O-N 3.45Å
233	K	83.7	Confident	79.4	Confident	114 Å²	114	94.9 Å²	94.9	50%	0.496	48%	0.483	S	S	.	.	H	α-helix	trans	-64	-36.7	174.9	-78.9	168.4	-177.5	168.3	0	112.6	V229 L230 E231 E236 T237	V229-K233 HydrophobicContact CG1-CD 4.04Å; V229-K233 WeakPolarHBondContact O-CB 3.39Å; V229-K233 WeakPolarHBondContact O-CD 3.43Å; V229-K233 WeakPolarHBondContact O-CG 3.3Å; V229-K233 PolarHBondContact O-N 2.69Å; L230-K233 PolarHBondContact O-N 3.08Å; E231-K233 PolarHBondContact O-N 3.42Å; K233-E236 PolarHBondContact O-N 3.35Å; K233-T237 PolarHBondContact O-N 2.69Å; K233-T237 PolarHBondContact O-OG1 2.88Å; K233-T237 VanDerWaalsContact O-OG1 3.12Å
234	L	79.5	Confident	79	Confident	109 Å²	109	92.3 Å²	92.3	57%	0.571	48%	0.476	S	S	*	.	H	α-helix	trans	-63.3	-49	176.4	-170.4	70.8	0	0	0	110.2	L230 E231 M232 E236 T237 D238	L230-L234 WeakPolarHBondContact O-CB 3.48Å; L230-L234 PolarHBondContact O-N 2.89Å; E231-L234 WeakPolarHBondContact O-CB 3.41Å; E231-L234 PolarHBondContact O-N 2.86Å; M232-L234 VanDerWaalsContact C-N 3.34Å; M232-L234 PolarHBondContact O-N 2.86Å; L234-E236 PolarHBondContact O-N 3.4Å; L234-T237 WeakPolarHBondContact CA-OG1 3.43Å; L234-T237 PolarHBondContact O-N 2.63Å; L234-T237 PolarHBondContact O-OG1 2.69Å; L234-D238 PolarHBondContact O-N 2.84Å
235	S	75.6	Confident	78.7	Confident	71 Å²	71	91 Å²	91	50%	0.497	48%	0.482	S	S	.	.	H	α-helix	trans	-62	-39.8	175.5	-176.7	0	0	0	0	112.6	E231 M232 D238 E239	E231-S235 PolarHBondContact O-N 3.08Å; M232-S235 PolarHBondContact O-N 3.06Å; S235-D238 PolarHBondContact O-N 2.9Å; S235-E239 PolarHBondContact O-N 2.84Å; S235-E239 VanDerWaalsContact O-N 3.08Å
236	E	79	Confident	78.4	Confident	82 Å²	82	95.8 Å²	95.8	38%	0.383	50%	0.495	S	S	.	.	H	α-helix	trans	-60.8	-41.8	170.2	-84.8	-163.1	-128.9	0	0	112.1	M232 K233 L234 R240	M232-E236 PolarHBondContact O-N 3.45Å; K233-E236 PolarHBondContact O-N 3.35Å; L234-E236 PolarHBondContact O-N 3.4Å; E236-R240 VanDerWaalsContact O-CB 3.25Å; E236-R240 WeakPolarHBondContact O-CB 3.28Å; E236-R240 WeakPolarHBondContact O-CD 3.45Å; E236-R240 WeakPolarHBondContact O-CG 3.21Å; E236-R240 PolarHBondContact O-N 2.63Å; E236-R240 IonicContact OE2-CZ 2.91Å; E236-R240 IonicContact OE2-NE 3.12Å; E236-R240 PolarHBondContact OE2-NE 3Å; E236-R240 IonicContact OE2-NH2 2.74Å; E236-R240 PolarHBondContact OE2-NH2 2.87Å
237	T	78.7	Confident	78	Confident	65 Å²	65	95.7 Å²	95.7	40%	0.399	50%	0.495	S	S	.	.	H	α-helix	trans	-68.2	-37.5	177.8	46.8	0	0	0	0	112.7	K233 L234 R240 I241	K233-T237 PolarHBondContact O-N 2.69Å; K233-T237 PolarHBondContact O-OG1 2.88Å; K233-T237 VanDerWaalsContact O-OG1 3.12Å; L234-T237 WeakPolarHBondContact CA-OG1 3.43Å; L234-T237 PolarHBondContact O-N 2.63Å; L234-T237 PolarHBondContact O-OG1 2.69Å; T237-R240 PolarHBondContact O-N 2.81Å; T237-I241 WeakPolarHBondContact O-CB 3.3Å; T237-I241 WeakPolarHBondContact O-CD1 3.31Å; T237-I241 WeakPolarHBondContact O-CG1 3.47Å; T237-I241 PolarHBondContact O-N 3.04Å
238	D	75.2	Confident	77.8	Confident	94 Å²	94	98 Å²	98	50%	0.503	50%	0.502	S	S	.	.	H	α-helix	trans	-65.2	-45.6	177.2	-74.9	-23.8	0	0	0	111.6	L234 S235 I241 K242	L234-D238 PolarHBondContact O-N 2.84Å; S235-D238 PolarHBondContact O-N 2.9Å; D238-I241 PolarHBondContact O-N 2.99Å; D238-K242 VanDerWaalsContact O-CB 3.29Å; D238-K242 WeakPolarHBondContact O-CB 3.46Å; D238-K242 PolarHBondContact O-N 3.28Å
239	E	77.3	Confident	77.3	Confident	94 Å²	94	97 Å²	97	44%	0.439	51%	0.506	S	S	.	.	H	α-helix	trans	-68.1	-36.1	174	-72.7	-62.6	148.3	0	0	112.2	S235 K242 T243	S235-E239 PolarHBondContact O-N 2.84Å; S235-E239 VanDerWaalsContact O-N 3.08Å; E239-K242 CarbonylContact O-C 3.55Å; E239-K242 WeakPolarHBondContact O-CB 3.37Å; E239-K242 PolarHBondContact O-N 3.24Å; E239-K242 IonicContact OE1-NZ 3.39Å; E239-K242 PolarHBondContact OE1-NZ 3.3Å; E239-K242 WeakPolarHBondContact OE2-CD 3.44Å; E239-K242 IonicContact OE2-NZ 2.65Å; E239-K242 PolarHBondContact OE2-NZ 2.98Å; E239-T243 WeakPolarHBondContact O-CG2 3.4Å; E239-T243 PolarHBondContact O-N 3.49Å; E239-T243 PolarHBondContact O-OG1 2.88Å
240	R	77.5	Confident	76.8	Confident	155 Å²	155	99.4 Å²	99.4	59%	0.585	51%	0.512	S	S	*	.	H	α-helix	trans	-65.2	-36.6	173.4	-73.9	166.6	-171.6	-140.2	10.4	112.9	E236 T237 K242 T243 A244	E236-R240 VanDerWaalsContact O-CB 3.25Å; E236-R240 WeakPolarHBondContact O-CB 3.28Å; E236-R240 WeakPolarHBondContact O-CD 3.45Å; E236-R240 WeakPolarHBondContact O-CG 3.21Å; E236-R240 PolarHBondContact O-N 2.63Å; E236-R240 IonicContact OE2-CZ 2.91Å; E236-R240 IonicContact OE2-NE 3.12Å; E236-R240 PolarHBondContact OE2-NE 3Å; E236-R240 IonicContact OE2-NH2 2.74Å; E236-R240 PolarHBondContact OE2-NH2 2.87Å; T237-R240 PolarHBondContact O-N 2.81Å; R240-K242 VanDerWaalsContact C-N 3.32Å; R240-T243 WeakPolarHBondContact CA-OG1 3.3Å; R240-T243 PolarHBondContact O-OG1 3.49Å; R240-T243 VanDerWaalsContact O-OG1 3.13Å; R240-A244 WeakPolarHBondContact O-CB 3.41Å; R240-A244 PolarHBondContact O-N 2.7Å
241	I	77.4	Confident	76.1	Confident	113 Å²	113	97.4 Å²	97.4	58%	0.579	51%	0.505	S	S	*	.	H	α-helix	trans	-65	-41.2	173.7	-74.1	163	0	0	0	109.8	T237 D238 A244 A245	T237-I241 WeakPolarHBondContact O-CB 3.3Å; T237-I241 WeakPolarHBondContact O-CD1 3.31Å; T237-I241 WeakPolarHBondContact O-CG1 3.47Å; T237-I241 PolarHBondContact O-N 3.04Å; D238-I241 PolarHBondContact O-N 2.99Å; I241-A244 PolarHBondContact O-N 2.99Å; I241-A245 WeakPolarHBondContact O-CB 3.06Å; I241-A245 PolarHBondContact O-N 3.23Å
242	K	76	Confident	75.6	Confident	106 Å²	106	97.1 Å²	97.1	46%	0.461	50%	0.503	S	S	.	.	H	α-helix	trans	-68.9	-38.2	178.5	-178.7	173.8	160.3	-130.8	0	112.8	D238 E239 R240 Q246	D238-K242 VanDerWaalsContact O-CB 3.29Å; D238-K242 WeakPolarHBondContact O-CB 3.46Å; D238-K242 PolarHBondContact O-N 3.28Å; E239-K242 CarbonylContact O-C 3.55Å; E239-K242 WeakPolarHBondContact O-CB 3.37Å; E239-K242 PolarHBondContact O-N 3.24Å; E239-K242 IonicContact OE1-NZ 3.39Å; E239-K242 PolarHBondContact OE1-NZ 3.3Å; E239-K242 WeakPolarHBondContact OE2-CD 3.44Å; E239-K242 IonicContact OE2-NZ 2.65Å; E239-K242 PolarHBondContact OE2-NZ 2.98Å; R240-K242 VanDerWaalsContact C-N 3.32Å; K242-Q246 WeakPolarHBondContact O-CG 3.47Å; K242-Q246 PolarHBondContact O-N 3.29Å
243	T	76.2	Confident	75.2	Confident	62 Å²	62	96.5 Å²	96.5	38%	0.38	50%	0.502	S	S	.	.	H	α-helix	trans	-71.5	-43	170.8	59.2	0	0	0	0	111.6	E239 R240 A245 Q246 E247	E239-T243 WeakPolarHBondContact O-CG2 3.4Å; E239-T243 PolarHBondContact O-N 3.49Å; E239-T243 PolarHBondContact O-OG1 2.88Å; R240-T243 WeakPolarHBondContact CA-OG1 3.3Å; R240-T243 PolarHBondContact O-OG1 3.49Å; R240-T243 VanDerWaalsContact O-OG1 3.13Å; T243-A245 PolarHBondContact O-N 3.32Å; T243-Q246 CarbonylContact O-C 3.56Å; T243-Q246 WeakPolarHBondContact O-CA 3.25Å; T243-Q246 WeakPolarHBondContact O-CB 3.38Å; T243-Q246 PolarHBondContact O-N 3.4Å; T243-E247 WeakPolarHBondContact O-CG 3.34Å; T243-E247 PolarHBondContact O-N 2.76Å
244	A	74.5	Confident	74.5	Confident	49 Å²	49	94.5 Å²	94.5	41%	0.405	50%	0.496	S	S	.	.	H	α-helix	trans	-60.7	-34	177.4	0	0	0	0	0	112.5	R240 I241 Q246 K248	R240-A244 WeakPolarHBondContact O-CB 3.41Å; R240-A244 PolarHBondContact O-N 2.7Å; I241-A244 PolarHBondContact O-N 2.99Å; A244-Q246 VanDerWaalsContact C-N 3.34Å; A244-K248 VanDerWaalsContact O-CB 3.27Å; A244-K248 WeakPolarHBondContact O-CB 3.32Å; A244-K248 PolarHBondContact O-N 3.23Å
245	A	72.7	Confident	73.7	Confident	67 Å²	67	95.4 Å²	95.4	55%	0.554	50%	0.497	S	S	*	.	H	α-helix	trans	-65.6	-34.2	172.1	0	0	0	0	0	113.1	I241 T243	I241-A245 WeakPolarHBondContact O-CB 3.06Å; I241-A245 PolarHBondContact O-N 3.23Å; T243-A245 PolarHBondContact O-N 3.32Å
246	Q	73.6	Confident	73	Confident	134 Å²	134	98.8 Å²	98.8	63%	0.626	51%	0.505	S	S	*	.	H	α-helix	trans	-77.2	-43.4	175.2	-68.4	175.8	-6.9	0	0	112	K242 T243 A244 A249 H250	K242-Q246 WeakPolarHBondContact O-CG 3.47Å; K242-Q246 PolarHBondContact O-N 3.29Å; T243-Q246 CarbonylContact O-C 3.56Å; T243-Q246 WeakPolarHBondContact O-CA 3.25Å; T243-Q246 WeakPolarHBondContact O-CB 3.38Å; T243-Q246 PolarHBondContact O-N 3.4Å; A244-Q246 VanDerWaalsContact C-N 3.34Å; Q246-A249 PolarHBondContact O-N 3.12Å; Q246-H250 PolarHBondContact O-N 3.31Å
247	E	75.8	Confident	72.4	Confident	125 Å²	125	99.9 Å²	99.9	58%	0.584	51%	0.51	S	S	*	.	H	α-helix	trans	-61.7	-42.9	176.5	-72.9	-178.5	154.5	0	0	111.3	T243 A249 H250 V251	T243-E247 WeakPolarHBondContact O-CG 3.34Å; T243-E247 PolarHBondContact O-N 2.76Å; E247-A249 VanDerWaalsContact C-N 3.32Å; E247-A249 PolarHBondContact O-N 2.84Å; E247-H250 CarbonylContact O-C 3.52Å; E247-H250 WeakPolarHBondContact O-CA 3.28Å; E247-H250 WeakPolarHBondContact O-CB 3.4Å; E247-H250 PolarHBondContact O-N 3.42Å; E247-V251 WeakPolarHBondContact O-CG2 3.13Å; E247-V251 PolarHBondContact O-N 2.77Å
248	K	76	Confident	71.4	Confident	127 Å²	127	101.4 Å²	101.4	55%	0.552	52%	0.516	S	S	*	.	H	α-helix	trans	-55.5	-47	175.3	179.5	175.8	171.4	179.4	0	111.8	A244 H250 V251 E252	A244-K248 VanDerWaalsContact O-CB 3.27Å; A244-K248 WeakPolarHBondContact O-CB 3.32Å; A244-K248 PolarHBondContact O-N 3.23Å; K248-H250 PolarHBondContact O-N 2.85Å; K248-V251 PolarHBondContact O-N 2.74Å; K248-E252 WeakPolarHBondContact CE-OE1 3.5Å; K248-E252 IonicContact NZ-OE1 3.41Å; K248-E252 WeakPolarHBondContact O-CG 3.45Å; K248-E252 PolarHBondContact O-N 3.42Å
249	A	70.1	Confident	70.6	Confident	64 Å²	64	104 Å²	104	53%	0.529	53%	0.525	S	S	.	.	H	α-helix	trans	-64.8	-20.6	177.3	0	0	0	0	0	113.4	Q246 E247	Q246-A249 PolarHBondContact O-N 3.12Å; E247-A249 VanDerWaalsContact C-N 3.32Å; E247-A249 PolarHBondContact O-N 2.84Å
250	H	72	Confident	69.6	Low	111 Å²	111	107.4 Å²	107.4	51%	0.514	54%	0.538	S	S	.	.	H	α-helix	trans	-89.7	-32.9	173.7	-163.5	-39.4	0	0	0	112.8	Q246 E247 K248 L253 L254	Q246-H250 PolarHBondContact O-N 3.31Å; E247-H250 CarbonylContact O-C 3.52Å; E247-H250 WeakPolarHBondContact O-CA 3.28Å; E247-H250 WeakPolarHBondContact O-CB 3.4Å; E247-H250 PolarHBondContact O-N 3.42Å; K248-H250 PolarHBondContact O-N 2.85Å; H250-L253 PolarHBondContact O-N 3.31Å; H250-L254 WeakPolarHBondContact ND1-CD1 3.37Å; H250-L254 WeakPolarHBondContact O-CG 3.26Å; H250-L254 PolarHBondContact O-N 2.98Å
251	V	68.8	Low	68.6	Low	70 Å²	70	106.1 Å²	106.1	42%	0.424	54%	0.542	S	S	.	.	H	α-helix	trans	-69.9	-42.7	177.1	171.9	0	0	0	0	110.7	E247 K248 L253 L254 E255	E247-V251 WeakPolarHBondContact O-CG2 3.13Å; E247-V251 PolarHBondContact O-N 2.77Å; K248-V251 PolarHBondContact O-N 2.74Å; V251-L253 PolarHBondContact O-N 2.81Å; V251-L253 VanDerWaalsContact O-N 3.13Å; V251-L254 PolarHBondContact O-N 3.13Å; V251-E255 HydrophobicContact CG1-CG 4.1Å; V251-E255 PolarHBondContact O-N 3.5Å
252	E	68.6	Low	67.5	Low	117 Å²	117	110.5 Å²	110.5	55%	0.547	55%	0.551	S	S	.	*	H	α-helix	trans	-57.2	-28.5	174.4	-70.9	175.8	168.9	0	0	112.1	K248	K248-E252 WeakPolarHBondContact CE-OE1 3.5Å; K248-E252 IonicContact NZ-OE1 3.41Å; K248-E252 WeakPolarHBondContact O-CG 3.45Å; K248-E252 PolarHBondContact O-N 3.42Å
253	L	70	Confident	66.1	Low	97 Å²	97	113.7 Å²	113.7	51%	0.508	57%	0.568	S	S	.	*	H	α-helix	trans	-81.8	-22.6	174.5	-175	65.4	0	0	0	114.1	H250 V251 Q257	H250-L253 PolarHBondContact O-N 3.31Å; V251-L253 PolarHBondContact O-N 2.81Å; V251-L253 VanDerWaalsContact O-N 3.13Å; L253-Q257 PolarHBondContact O-NE2 3.44Å
254	L	69.3	Low	64.4	Low	72 Å²	72	118.9 Å²	118.9	38%	0.377	59%	0.588	S	S	.	*	H	α-helix	trans	-92.8	-32.5	-178.6	-76.9	174.1	0	0	0	113.1	H250 V251 E256 Q257 L258	H250-L254 WeakPolarHBondContact ND1-CD1 3.37Å; H250-L254 WeakPolarHBondContact O-CG 3.26Å; H250-L254 PolarHBondContact O-N 2.98Å; V251-L254 PolarHBondContact O-N 3.13Å; L254-E256 VanDerWaalsContact C-N 3.27Å; L254-E256 PolarHBondContact O-N 2.86Å; L254-Q257 WeakPolarHBondContact O-CA 3.31Å; L254-Q257 WeakPolarHBondContact O-CB 3.49Å; L254-Q257 PolarHBondContact O-N 3.48Å; L254-L258 PolarHBondContact O-N 3.07Å
255	E	63.2	Low	62.8	Low	128 Å²	128	124.8 Å²	124.8	60%	0.598	61%	0.609	S	S	*	*	H	α-helix	trans	-63.3	-36.1	175.3	-68.2	-173.3	147.2	0	0	111.1	V251 Q257 L258 E259	V251-E255 HydrophobicContact CG1-CG 4.1Å; V251-E255 PolarHBondContact O-N 3.5Å; E255-Q257 PolarHBondContact O-N 2.89Å; E255-Q257 VanDerWaalsContact O-N 3.09Å; E255-L258 PolarHBondContact O-N 2.88Å; E255-E259 PolarHBondContact O-N 3.42Å
256	E	60.5	Low	60.9	Low	142 Å²	142	129.5 Å²	129.5	66%	0.664	62%	0.623	S	S	*	*	H	α-helix	trans	-62.4	-14.4	172.2	-148.8	-173	-144.3	0	0	114	L254	L254-E256 VanDerWaalsContact C-N 3.27Å; L254-E256 PolarHBondContact O-N 2.86Å
257	Q	67.5	Low	59.3	Low	105 Å²	105	128.2 Å²	128.2	49%	0.491	63%	0.629	S	S	.	*	H	α-helix	trans	-102.7	-39.9	176.4	-58.6	-177.1	22.7	0	0	112.6	L253 L254 E255 E259 K260	L253-Q257 PolarHBondContact O-NE2 3.44Å; L254-Q257 WeakPolarHBondContact O-CA 3.31Å; L254-Q257 WeakPolarHBondContact O-CB 3.49Å; L254-Q257 PolarHBondContact O-N 3.48Å; E255-Q257 PolarHBondContact O-N 2.89Å; E255-Q257 VanDerWaalsContact O-N 3.09Å; Q257-E259 PolarHBondContact O-N 3.39Å; Q257-K260 PolarHBondContact O-N 3.28Å
258	L	58.2	Low	58.1	Low	98 Å²	98	127.4 Å²	127.4	51%	0.513	64%	0.635	S	S	.	*	H	α-helix	trans	-70.7	-29.4	-176.7	-92.7	166.7	0	0	0	113.7	L254 E255 K260 L261 R262	L254-L258 PolarHBondContact O-N 3.07Å; E255-L258 PolarHBondContact O-N 2.88Å; L258-K260 PolarHBondContact O-N 3.49Å; L258-K260 VanDerWaalsContact O-N 3.17Å; L258-L261 PolarHBondContact O-N 2.91Å; L258-R262 PolarHBondContact O-N 2.85Å
259	E	57.8	Low	56.2	Low	148 Å²	148	129 Å²	129	69%	0.692	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-23.9	177.4	-156.3	63.5	-172.7	0	0	112.5	E255 Q257	E255-E259 PolarHBondContact O-N 3.42Å; Q257-E259 PolarHBondContact O-N 3.39Å
260	K	56.5	Low	54.6	Low	166 Å²	166	134.3 Å²	134.3	72%	0.722	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-21.5	173.4	-71.4	170.1	179	137.1	0	114.4	Q257 L258	Q257-K260 PolarHBondContact O-N 3.28Å; L258-K260 PolarHBondContact O-N 3.49Å; L258-K260 VanDerWaalsContact O-N 3.17Å
261	L	56.8	Low	53	Low	128 Å²	128	135.2 Å²	135.2	67%	0.67	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	-12.4	-166	-79.1	166.2	0	0	0	114.5	L258 H263	L258-L261 PolarHBondContact O-N 2.91Å; L261-H263 PolarHBondContact O-N 2.76Å
262	R	53.6	Low	51.4	Low	204 Å²	204	139.2 Å²	139.2	77%	0.77	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	15.9	-175.4	-91.3	-177.4	170.8	-98.3	2.2	116.6	L258	L258-R262 PolarHBondContact O-N 2.85Å
263	H	46.8	Very low	50.5	Low	173 Å²	173	137 Å²	137	80%	0.801	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	7.4	-168.9	-82.8	57.1	0	0	0	116.3	L261	L261-H263 PolarHBondContact O-N 2.76Å
264	E	40.1	Very low	49.6	Very low	171 Å²	171	142.6 Å²	142.6	80%	0.799	72%	0.723	S	S	*	*			trans	-133.6	-97.3	-166.5	-60.2	-167.4	112.6	0	0	122.2
265	M	40.6	Very low	48.9	Very low	173 Å²	173	144.3 Å²	144.3	85%	0.852	74%	0.736	S	S	*	*			trans	-92.2	157.8	-134.8	-61.2	-174.5	71	0	0	121.6
266	I	33.9	Very low	48.6	Very low	166 Å²	166	146.1 Å²	146.1	85%	0.851	75%	0.749	S	S	*	*			trans	-153.7	151.3	176.3	-59.5	-179.1	0	0	0	109.8
267	S	39.9	Very low	48.5	Very low	108 Å²	108	143.3 Å²	143.3	76%	0.755	75%	0.75	S	S	*	*			cis	-159.4	-112.2	-30.5	-174.7	0	0	0	0	113.4
268	P	50.4	Low	48.1	Very low	108 Å²	108	144.4 Å²	144.4	70%	0.701	76%	0.759	S	S	*	*			trans	-132.4	177.3	-152.8	43.1	-23.2	0	0	0	119.4
269	I	35.3	Very low	48.4	Very low	159 Å²	159	143.6 Å²	143.6	82%	0.815	76%	0.761	S	S	*	*			trans	175.8	134.2	142.2	-94.3	162.5	0	0	0	116
270	E	37.7	Very low	49	Very low	177 Å²	177	145.3 Å²	145.3	83%	0.827	77%	0.766	S	S	*	*			trans	30.6	144.5	152.4	-58.7	179.1	-179.6	0	0	129.5
271	S	37.2	Very low	49.6	Very low	129 Å²	129	144.1 Å²	144.1	90%	0.902	76%	0.764	S	S	*	*				160.3	171.1	117.2	53.6	0	0	0	0	116.4
272	D	35.2	Very low	50.3	Low	155 Å²	155	142.9 Å²	142.9	83%	0.829	76%	0.757	S	S	*	*			trans	-140.2	167.4	-165.5	178.3	32	0	0	0	114.6
273	G	49.1	Very low	51.4	Low	69 Å²	69	138.1 Å²	138.1	71%	0.711	74%	0.744	S	S	*	*			trans	176.8	3.4	171	0	0	0	0	0	123.6
274	Y	52.9	Low	52.9	Low	215 Å²	215	134.6 Å²	134.6	84%	0.843	73%	0.734	S	S	*	*			trans	-88.1	-9.1	-165.4	-149.3	-99.5	0	0	0	117.3	L276	Y274-L276 PolarHBondContact O-N 3.22Å
275	V	54.2	Low	54.5	Low	108 Å²	108	131 Å²	131	66%	0.655	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-74.8	-25.6	-157.5	-177.7	0	0	0	0	115.7	A277	V275-A277 PolarHBondContact O-N 2.72Å
276	L	55.8	Low	56.4	Low	166 Å²	166	127.7 Å²	127.7	87%	0.869	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-74.8	-16.8	-160.5	-148.9	76.8	0	0	0	116.1	Y274	Y274-L276 PolarHBondContact O-N 3.22Å
277	A	59.9	Low	58.7	Low	83 Å²	83	126 Å²	126	69%	0.686	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-78	-37.6	-170.9	0	0	0	0	0	114.1	V275 S279	V275-A277 PolarHBondContact O-N 2.72Å; A277-S279 VanDerWaalsContact C-N 3.28Å; A277-S279 PolarHBondContact O-N 2.89Å
278	L	58.6	Low	60.5	Low	128 Å²	128	127.2 Å²	127.2	67%	0.67	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-20.7	-167.4	-73.1	162.5	0	0	0	114.4	K280	L278-K280 PolarHBondContact O-N 3.39Å
279	S	63.3	Low	61.8	Low	81 Å²	81	126.3 Å²	126.3	57%	0.566	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-19.8	-171.9	-56.3	0	0	0	0	115.2	A277	A277-S279 VanDerWaalsContact C-N 3.28Å; A277-S279 PolarHBondContact O-N 2.89Å
280	K	70.5	Confident	64.2	Low	184 Å²	184	123.6 Å²	123.6	80%	0.8	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-43.9	-176.5	-89	-173.1	173.1	-179	0	113.7	L278 L282 E283	L278-K280 PolarHBondContact O-N 3.39Å; K280-L282 PolarHBondContact O-N 2.81Å; K280-E283 PolarHBondContact O-N 2.76Å
281	E	69.4	Low	66.3	Low	142 Å²	142	118.5 Å²	118.5	66%	0.664	65%	0.647	S	S	*	*	H	α-helix	trans	-65.3	-27.9	-176.4	-162.3	161.7	-133.8	0	0	111.9	E283 T284	E281-E283 PolarHBondContact O-N 3.27Å; E281-T284 PolarHBondContact O-OG1 2.94Å
282	L	72.2	Confident	68.5	Low	102 Å²	102	117.2 Å²	117.2	53%	0.534	63%	0.629	S	S	.	*	H	α-helix	trans	-64.2	-29.7	175.4	-174.8	62.2	0	0	0	114.2	K280 K286	K280-L282 PolarHBondContact O-N 2.81Å; L282-K286 WeakPolarHBondContact O-CG 3.4Å
283	E	77.4	Confident	70.7	Confident	104 Å²	104	117.5 Å²	117.5	49%	0.486	62%	0.619	S	S	.	*	H	α-helix	trans	-78.8	-38.1	-179.1	-66.8	-54.5	142.9	0	0	112.4	K280 E281 L285 K286	K280-E283 PolarHBondContact O-N 2.76Å; E281-E283 PolarHBondContact O-N 3.27Å; E283-L285 VanDerWaalsContact C-N 3.32Å; E283-L285 PolarHBondContact O-N 2.85Å; E283-K286 WeakPolarHBondContact O-CB 3.44Å; E283-K286 PolarHBondContact O-N 3.26Å; E283-K286 VanDerWaalsContact O-N 3.14Å; E283-K286 IonicContact OE1-NZ 3.97Å; E283-K286 PolarHBondContact OE1-NZ 2.87Å; E283-K286 WeakPolarHBondContact OE2-CD 3.44Å; E283-K286 IonicContact OE2-NZ 2.64Å; E283-K286 PolarHBondContact OE2-NZ 3.26Å
284	T	77.9	Confident	72.4	Confident	98 Å²	98	118.7 Å²	118.7	60%	0.601	61%	0.609	S	S	*	*	H	α-helix	trans	-58.8	-42.4	177	23.1	0	0	0	0	112.3	E281 K286 L287	E281-T284 PolarHBondContact O-OG1 2.94Å; T284-K286 VanDerWaalsContact C-N 3.25Å; T284-K286 PolarHBondContact O-N 3.44Å; T284-L287 PolarHBondContact O-N 2.97Å
285	L	74.1	Confident	73.9	Confident	97 Å²	97	112.1 Å²	112.1	51%	0.508	59%	0.588	S	S	.	*	H	α-helix	trans	-67	-20.8	178.7	-75.9	165.3	0	0	0	113.9	E283 N289	E283-L285 VanDerWaalsContact C-N 3.32Å; E283-L285 PolarHBondContact O-N 2.85Å; L285-N289 WeakPolarHBondContact O-CB 3.2Å; L285-N289 PolarHBondContact O-N 2.87Å; L285-N289 PolarHBondContact O-ND2 3.46Å
286	K	80.5	Confident	75.2	Confident	103 Å²	103	111.4 Å²	111.4	45%	0.448	58%	0.58	S	S	.	*	H	α-helix	trans	-75.3	-36.4	177.8	-69	173.8	-166	171.6	0	113	L282 E283 T284 L290	L282-K286 WeakPolarHBondContact O-CG 3.4Å; E283-K286 WeakPolarHBondContact O-CB 3.44Å; E283-K286 PolarHBondContact O-N 3.26Å; E283-K286 VanDerWaalsContact O-N 3.14Å; E283-K286 IonicContact OE1-NZ 3.97Å; E283-K286 PolarHBondContact OE1-NZ 2.87Å; E283-K286 WeakPolarHBondContact OE2-CD 3.44Å; E283-K286 IonicContact OE2-NZ 2.64Å; E283-K286 PolarHBondContact OE2-NZ 3.26Å; T284-K286 VanDerWaalsContact C-N 3.25Å; T284-K286 PolarHBondContact O-N 3.44Å; K286-L290 PolarHBondContact O-N 2.89Å
287	L	81.7	Confident	76.4	Confident	131 Å²	131	109.5 Å²	109.5	69%	0.686	57%	0.566	S	S	*	*	H	α-helix	trans	-68	-45	-178.2	-89.2	163.3	0	0	0	111.8	T284 N289 L290 S291	T284-L287 PolarHBondContact O-N 2.97Å; L287-N289 VanDerWaalsContact C-N 3.34Å; L287-N289 PolarHBondContact O-N 2.94Å; L287-L290 WeakPolarHBondContact O-CB 3.43Å; L287-L290 PolarHBondContact O-N 3.1Å; L287-S291 PolarHBondContact O-N 3.19Å
288	E	78.4	Confident	77.6	Confident	133 Å²	133	111 Å²	111	62%	0.621	56%	0.56	S	S	*	*	H	α-helix	trans	-64.6	-39.2	177.3	-167.9	168.9	-136.3	0	0	111.7	L290 S291 L292	E288-L290 PolarHBondContact O-N 3.21Å; E288-S291 PolarHBondContact O-N 3.09Å; E288-L292 PolarHBondContact O-N 2.95Å
289	N	77.7	Confident	78.6	Confident	88 Å²	88	110.1 Å²	110.1	47%	0.471	56%	0.556	S	S	.	*	H	α-helix	trans	-61.2	-22.9	170.9	-94.6	-91.6	0	0	0	114.1	L285 L287 R293	L285-N289 WeakPolarHBondContact O-CB 3.2Å; L285-N289 PolarHBondContact O-N 2.87Å; L285-N289 PolarHBondContact O-ND2 3.46Å; L287-N289 VanDerWaalsContact C-N 3.34Å; L287-N289 PolarHBondContact O-N 2.94Å; N289-R293 WeakPolarHBondContact O-CD 3.31Å; N289-R293 VanDerWaalsContact O-CG 3.26Å; N289-R293 WeakPolarHBondContact O-CG 3.21Å
290	L	84.3	Confident	79.3	Confident	102 Å²	102	111.4 Å²	111.4	53%	0.534	55%	0.551	S	S	.	*	H	α-helix	trans	-80.3	-40.6	179.2	-165.2	69.8	0	0	0	111.5	K286 L287 E288 R293	K286-L290 PolarHBondContact O-N 2.89Å; L287-L290 WeakPolarHBondContact O-CB 3.43Å; L287-L290 PolarHBondContact O-N 3.1Å; E288-L290 PolarHBondContact O-N 3.21Å; L290-R293 PolarHBondContact O-N 2.73Å
291	S	82.8	Confident	79.7	Confident	71 Å²	71	106.2 Å²	106.2	50%	0.497	54%	0.538	S	S	.	.	H	α-helix	trans	-62.1	-50.5	176.9	-162	0	0	0	0	111.1	L287 E288 R293 N294 D295	L287-S291 PolarHBondContact O-N 3.19Å; E288-S291 PolarHBondContact O-N 3.09Å; S291-R293 PolarHBondContact O-N 2.67Å; S291-R293 VanDerWaalsContact O-N 3.12Å; S291-N294 PolarHBondContact O-N 3.37Å; S291-D295 PolarHBondContact O-N 2.77Å
292	L	82.9	Confident	80.1	Confident	101 Å²	101	105.1 Å²	105.1	53%	0.529	53%	0.533	S	S	.	.	H	α-helix	trans	-60.6	-24.8	-178.9	-69.4	169.7	0	0	0	113.4	E288 I296	E288-L292 PolarHBondContact O-N 2.95Å; L292-I296 WeakPolarHBondContact O-CB 3.33Å; L292-I296 VanDerWaalsContact O-CD1 3.28Å; L292-I296 WeakPolarHBondContact O-CD1 3.16Å; L292-I296 WeakPolarHBondContact O-CG1 3.49Å; L292-I296 PolarHBondContact O-N 2.85Å
293	R	81.8	Confident	80.3	Confident	162 Å²	162	105.5 Å²	105.5	61%	0.611	54%	0.535	S	S	*	.	H	α-helix	trans	-70.6	-40	174.9	-79.5	171.5	179.3	-140.7	0.3	112.7	N289 L290 S291 I296 E297	N289-R293 WeakPolarHBondContact O-CD 3.31Å; N289-R293 VanDerWaalsContact O-CG 3.26Å; N289-R293 WeakPolarHBondContact O-CG 3.21Å; L290-R293 PolarHBondContact O-N 2.73Å; S291-R293 PolarHBondContact O-N 2.67Å; S291-R293 VanDerWaalsContact O-N 3.12Å; R293-I296 PolarHBondContact O-N 3.22Å; R293-E297 PolarHBondContact O-N 3.46Å
294	N	84.9	Confident	80.2	Confident	94 Å²	94	104.8 Å²	104.8	50%	0.503	54%	0.535	S	S	.	.	H	α-helix	trans	-67.6	-42.7	-178	-62.9	-7.3	0	0	0	110.9	S291 I296 E297 M298	S291-N294 PolarHBondContact O-N 3.37Å; N294-I296 VanDerWaalsContact C-N 3.31Å; N294-I296 PolarHBondContact O-N 3.12Å; N294-E297 PolarHBondContact O-N 3.47Å; N294-E297 VanDerWaalsContact O-N 3.12Å; N294-M298 PolarHBondContact O-N 2.86Å
295	D	83.9	Confident	79.9	Confident	77 Å²	77	103.6 Å²	103.6	41%	0.412	53%	0.53	S	S	.	.	H	α-helix	trans	-64.3	-38	176.6	-57.7	-35.1	0	0	0	111.2	S291 E297 M298 L299	S291-D295 PolarHBondContact O-N 2.77Å; D295-E297 VanDerWaalsContact C-N 3.34Å; D295-M298 PolarHBondContact O-N 3.41Å; D295-L299 WeakPolarHBondContact O-CB 3.3Å; D295-L299 WeakPolarHBondContact O-CG 3.14Å; D295-L299 PolarHBondContact O-N 2.88Å
296	I	80.8	Confident	79.8	Confident	93 Å²	93	103.2 Å²	103.2	48%	0.477	53%	0.532	S	S	.	.	H	α-helix	trans	-67.1	-30.5	173.1	-73.8	170.2	0	0	0	112.3	L292 R293 N294 K300	L292-I296 WeakPolarHBondContact O-CB 3.33Å; L292-I296 VanDerWaalsContact O-CD1 3.28Å; L292-I296 WeakPolarHBondContact O-CD1 3.16Å; L292-I296 WeakPolarHBondContact O-CG1 3.49Å; L292-I296 PolarHBondContact O-N 2.85Å; R293-I296 PolarHBondContact O-N 3.22Å; N294-I296 VanDerWaalsContact C-N 3.31Å; N294-I296 PolarHBondContact O-N 3.12Å; I296-K300 HydrophobicContact CG2-CD 4.48Å; I296-K300 WeakPolarHBondContact O-CD 3.28Å; I296-K300 WeakPolarHBondContact O-CG 3.22Å; I296-K300 PolarHBondContact O-N 3.29Å
297	E	82.5	Confident	79.3	Confident	126 Å²	126	103.1 Å²	103.1	59%	0.589	53%	0.531	S	S	*	.	H	α-helix	trans	-75.6	-38.4	174.1	-84.2	177.9	174.5	0	0	112.5	R293 N294 D295 K300 S301	R293-E297 PolarHBondContact O-N 3.46Å; N294-E297 PolarHBondContact O-N 3.47Å; N294-E297 VanDerWaalsContact O-N 3.12Å; D295-E297 VanDerWaalsContact C-N 3.34Å; E297-K300 PolarHBondContact O-N 3.31Å; E297-S301 PolarHBondContact O-N 2.84Å
298	M	83.3	Confident	78.9	Confident	114 Å²	114	101.3 Å²	101.3	56%	0.562	52%	0.522	S	S	*	.	H	α-helix	trans	-60.9	-51.1	173.3	-165.3	-167	-45	0	0	111.3	N294 D295 K300 S301 E302	N294-M298 PolarHBondContact O-N 2.86Å; D295-M298 PolarHBondContact O-N 3.41Å; M298-K300 VanDerWaalsContact C-N 3.26Å; M298-K300 PolarHBondContact O-N 2.9Å; M298-S301 PolarHBondContact O-N 3.31Å; M298-S301 PolarHBondContact O-OG 3.23Å; M298-E302 PolarHBondContact O-N 3.42Å
299	L	79.7	Confident	78.6	Confident	110 Å²	110	99.1 Å²	99.1	58%	0.576	52%	0.518	S	S	*	.	H	α-helix	trans	-64.9	-26.2	-179.8	-72.4	170	0	0	0	113.4	D295 L303	D295-L299 WeakPolarHBondContact O-CB 3.3Å; D295-L299 WeakPolarHBondContact O-CG 3.14Å; D295-L299 PolarHBondContact O-N 2.88Å; L299-L303 VanDerWaalsContact O-CB 3.23Å; L299-L303 WeakPolarHBondContact O-CB 3.29Å; L299-L303 PolarHBondContact O-N 3.38Å; L299-L303 VanDerWaalsContact O-N 3.11Å
300	K	79.2	Confident	78.3	Confident	107 Å²	107	96.7 Å²	96.7	47%	0.465	51%	0.514	S	S	.	.	H	α-helix	trans	-66.3	-46.3	168.8	-78	166.7	-172.1	167.9	0	111.6	I296 E297 M298 E302 L303 D304	I296-K300 HydrophobicContact CG2-CD 4.48Å; I296-K300 WeakPolarHBondContact O-CD 3.28Å; I296-K300 WeakPolarHBondContact O-CG 3.22Å; I296-K300 PolarHBondContact O-N 3.29Å; E297-K300 PolarHBondContact O-N 3.31Å; M298-K300 VanDerWaalsContact C-N 3.26Å; M298-K300 PolarHBondContact O-N 2.9Å; K300-E302 VanDerWaalsContact C-N 3.29Å; K300-E302 PolarHBondContact O-N 2.86Å; K300-L303 CarbonylContact O-C 3.58Å; K300-L303 PolarHBondContact O-N 2.82Å; K300-L303 VanDerWaalsContact O-N 3.08Å; K300-D304 PolarHBondContact O-N 3.39Å
301	S	79.3	Confident	77.8	Confident	76 Å²	76	94.7 Å²	94.7	53%	0.531	50%	0.502	S	S	.	.	H	α-helix	trans	-63.3	-33.6	-177.6	65.6	0	0	0	0	113.4	E297 M298	E297-S301 PolarHBondContact O-N 2.84Å; M298-S301 PolarHBondContact O-N 3.31Å; M298-S301 PolarHBondContact O-OG 3.23Å
302	E	78	Confident	77.3	Confident	118 Å²	118	97 Å²	97	55%	0.551	50%	0.5	S	S	*	.	H	α-helix	trans	-70.8	-44.1	170.1	-65.9	-170.8	151.2	0	0	111.7	M298 K300 D304 S305 V306	M298-E302 PolarHBondContact O-N 3.42Å; K300-E302 VanDerWaalsContact C-N 3.29Å; K300-E302 PolarHBondContact O-N 2.86Å; E302-D304 VanDerWaalsContact C-N 3.32Å; E302-D304 PolarHBondContact O-N 3Å; E302-S305 PolarHBondContact O-N 3.09Å; E302-S305 VanDerWaalsContact O-N 3.15Å; E302-S305 PolarHBondContact O-OG 3.21Å; E302-V306 PolarHBondContact O-N 2.84Å
303	L	74.4	Confident	76.9	Confident	111 Å²	111	95.9 Å²	95.9	58%	0.581	50%	0.496	S	S	*	.	H	α-helix	trans	-62	-36.6	178.9	-176.3	63.6	0	0	0	112.9	L299 K300 S305 V306 K307	L299-L303 VanDerWaalsContact O-CB 3.23Å; L299-L303 WeakPolarHBondContact O-CB 3.29Å; L299-L303 PolarHBondContact O-N 3.38Å; L299-L303 VanDerWaalsContact O-N 3.11Å; K300-L303 CarbonylContact O-C 3.58Å; K300-L303 PolarHBondContact O-N 2.82Å; K300-L303 VanDerWaalsContact O-N 3.08Å; L303-S305 VanDerWaalsContact C-N 3.34Å; L303-V306 PolarHBondContact O-N 3.18Å; L303-K307 WeakPolarHBondContact O-CB 3.23Å; L303-K307 PolarHBondContact O-N 3.49Å
304	D	75.8	Confident	76.7	Confident	89 Å²	89	89.8 Å²	89.8	48%	0.476	48%	0.477	S	S	.	.	H	α-helix	trans	-64.5	-36.6	175.5	-71.8	-35.8	0	0	0	110.9	K300 E302 V306 K307 D308	K300-D304 PolarHBondContact O-N 3.39Å; E302-D304 VanDerWaalsContact C-N 3.32Å; E302-D304 PolarHBondContact O-N 3Å; D304-V306 PolarHBondContact O-N 3.38Å; D304-K307 WeakPolarHBondContact O-CA 3.15Å; D304-K307 WeakPolarHBondContact O-CB 3.21Å; D304-K307 PolarHBondContact O-N 3.4Å; D304-K307 VanDerWaalsContact O-N 3.09Å; D304-D308 PolarHBondContact O-N 3.41Å; D304-D308 VanDerWaalsContact O-N 3.13Å
305	S	72	Confident	76.4	Confident	72 Å²	72	87 Å²	87	50%	0.503	46%	0.463	S	S	.	.	H	α-helix	trans	-69.5	-31.7	174.1	74.2	0	0	0	0	113.9	E302 L303 K307	E302-S305 PolarHBondContact O-N 3.09Å; E302-S305 VanDerWaalsContact O-N 3.15Å; E302-S305 PolarHBondContact O-OG 3.21Å; L303-S305 VanDerWaalsContact C-N 3.34Å; S305-K307 VanDerWaalsContact C-N 3.27Å
306	V	72.1	Confident	76.1	Confident	89 Å²	89	88.4 Å²	88.4	54%	0.539	47%	0.471	S	S	.	.	H	α-helix	trans	-68.1	-33.6	170	176.7	0	0	0	0	110.2	E302 L303 D304 T309 G310	E302-V306 PolarHBondContact O-N 2.84Å; L303-V306 PolarHBondContact O-N 3.18Å; D304-V306 PolarHBondContact O-N 3.38Å; V306-T309 PolarHBondContact O-N 2.79Å; V306-T309 PolarHBondContact O-OG1 2.76Å; V306-G310 PolarHBondContact O-N 2.94Å
307	K	70.7	Confident	75.9	Confident	101 Å²	101	89 Å²	89	44%	0.439	47%	0.471	S	S	.	.	H	α-helix	trans	-61.1	-50.7	178.3	-153.6	172.9	157.6	-65.8	0	111.5	L303 D304 S305 T309 G310 E311	L303-K307 WeakPolarHBondContact O-CB 3.23Å; L303-K307 PolarHBondContact O-N 3.49Å; D304-K307 WeakPolarHBondContact O-CA 3.15Å; D304-K307 WeakPolarHBondContact O-CB 3.21Å; D304-K307 PolarHBondContact O-N 3.4Å; D304-K307 VanDerWaalsContact O-N 3.09Å; S305-K307 VanDerWaalsContact C-N 3.27Å; K307-T309 PolarHBondContact O-N 2.8Å; K307-G310 WeakPolarHBondContact O-CA 3.05Å; K307-G310 PolarHBondContact O-N 3.12Å; K307-E311 IonicContact NZ-OE1 2.86Å; K307-E311 PolarHBondContact NZ-OE1 3.09Å; K307-E311 IonicContact NZ-OE2 3.67Å; K307-E311 PolarHBondContact NZ-OE2 2.79Å; K307-E311 WeakPolarHBondContact O-CB 3.29Å; K307-E311 PolarHBondContact O-N 3.04Å
308	D	72.2	Confident	75.7	Confident	93 Å²	93	88.1 Å²	88.1	50%	0.497	47%	0.465	S	S	.	.	H	α-helix	trans	-52.8	-39.4	174.3	-69.1	14.3	0	0	0	112.1	D304 E311 R312	D304-D308 PolarHBondContact O-N 3.41Å; D304-D308 VanDerWaalsContact O-N 3.13Å; D308-E311 CarbonylContact O-C 3.37Å; D308-R312 WeakPolarHBondContact O-CB 3.4Å; D308-R312 PolarHBondContact O-N 2.98Å; D308-R312 VanDerWaalsContact O-N 3.14Å
309	T	71.8	Confident	75.5	Confident	87 Å²	87	88.3 Å²	88.3	53%	0.534	47%	0.465	S	S	.	.	H	α-helix	trans	-73.1	-33.9	177	60.3	0	0	0	0	113.9	V306 K307 R312 V313	V306-T309 PolarHBondContact O-N 2.79Å; V306-T309 PolarHBondContact O-OG1 2.76Å; K307-T309 PolarHBondContact O-N 2.8Å; T309-R312 PolarHBondContact O-N 3.06Å; T309-V313 PolarHBondContact O-N 2.87Å
310	G	72.5	Confident	75.4	Confident	37 Å²	37	86.7 Å²	86.7	38%	0.381	46%	0.462	S	S	.	.	H	α-helix	trans	-67.8	-42.4	170.7	0	0	0	0	0	111.7	V306 K307 R312 V313 V314	V306-G310 PolarHBondContact O-N 2.94Å; K307-G310 WeakPolarHBondContact O-CA 3.05Å; K307-G310 PolarHBondContact O-N 3.12Å; G310-R312 PolarHBondContact O-N 2.88Å; G310-V313 PolarHBondContact O-N 3.31Å; G310-V314 WeakPolarHBondContact O-CG2 3.15Å
311	E	73.5	Confident	75.3	Confident	60 Å²	60	84.8 Å²	84.8	28%	0.28	46%	0.462	S	S	.	.	H	α-helix	trans	-66.9	6.3	169.8	-72.3	172.5	160.2	0	0	112.9	L84 E85 N86 K307 D308	L84-E311 WeakPolarHBondContact CD2-O 3.48Å; E85-E311 HydrophobicContact CG-CB 3.92Å; E85-E311 WeakPolarHBondContact CG-O 3.21Å; N86-E311 WeakPolarHBondContact CB-O 3.37Å; N86-E311 PolarHBondContact ND2-O 2.77Å; N86-E311 PolarHBondContact OD1-O 3.49Å; K307-E311 IonicContact NZ-OE1 2.86Å; K307-E311 PolarHBondContact NZ-OE1 3.09Å; K307-E311 IonicContact NZ-OE2 3.67Å; K307-E311 PolarHBondContact NZ-OE2 2.79Å; K307-E311 WeakPolarHBondContact O-CB 3.29Å; K307-E311 PolarHBondContact O-N 3.04Å; D308-E311 CarbonylContact O-C 3.37Å
312	R	71.7	Confident	75.3	Confident	121 Å²	121	82.6 Å²	82.6	46%	0.457	45%	0.451	S	S	.	.	H	α-helix	trans	-121.3	-12.3	172.2	-165.9	156.9	156	-179.8	-14.3	115.1	D83 L84 N86 D308 T309 G310	D83-R312 WeakPolarHBondContact OD1-CD 3.37Å; D83-R312 IonicContact OD1-CZ 2.61Å; D83-R312 IonicContact OD1-NE 2.73Å; D83-R312 PolarHBondContact OD1-NE 2.94Å; D83-R312 VanDerWaalsContact OD1-NE 3.12Å; D83-R312 IonicContact OD1-NH1 3.07Å; D83-R312 PolarHBondContact OD1-NH1 2.83Å; D83-R312 IonicContact OD2-CZ 3.03Å; D83-R312 IonicContact OD2-NH1 3.84Å; D83-R312 PolarHBondContact OD2-NH1 3.16Å; L84-R312 HydrophobicContact CD2-CB 3.89Å; L84-R312 HydrophobicContact CD2-CG 4.28Å; N86-R312 WeakPolarHBondContact OD1-CA 3.46Å; N86-R312 PolarHBondContact OD1-N 3.19Å; N86-R312 VanDerWaalsContact OD1-N 3.1Å; D308-R312 WeakPolarHBondContact O-CB 3.4Å; D308-R312 PolarHBondContact O-N 2.98Å; D308-R312 VanDerWaalsContact O-N 3.14Å; T309-R312 PolarHBondContact O-N 3.06Å; G310-R312 PolarHBondContact O-N 2.88Å
313	V	75.6	Confident	75.3	Confident	76 Å²	76	82.4 Å²	82.4	46%	0.461	45%	0.454	S	S	.	.	H	α-helix	trans	-83.7	-43.9	173.9	166.8	0	0	0	0	111.9	N86 T309 G310 V315 L316 E317	N86-V313 PolarHBondContact OD1-N 3.39Å; N86-V313 VanDerWaalsContact OD1-N 3.1Å; T309-V313 PolarHBondContact O-N 2.87Å; G310-V313 PolarHBondContact O-N 3.31Å; V313-V315 PolarHBondContact O-N 2.74Å; V313-V315 VanDerWaalsContact O-N 3.14Å; V313-L316 WeakPolarHBondContact O-CA 3.24Å; V313-L316 WeakPolarHBondContact O-CB 3.25Å; V313-L316 PolarHBondContact O-N 3.08Å; V313-E317 HydrophobicContact CG1-CG 4.3Å; V313-E317 PolarHBondContact O-N 3.16Å; V313-E317 VanDerWaalsContact O-N 3.08Å
314	V	76.6	Confident	75.4	Confident	35 Å²	35	83.3 Å²	83.3	21%	0.212	46%	0.455	C	S	.	.	H	α-helix	trans	-68.5	-6.5	-171.8	174.5	0	0	0	0	113.6	N86 G87 S88 G310 E317 K318	N86-V314 HydrophobicContact CB-CB 3.79Å; N86-V314 HydrophobicContact CB-CG1 4.06Å; N86-V314 VanDerWaalsContact CG-C 3.45Å; N86-V314 WeakPolarHBondContact OD1-CA 3.45Å; N86-V314 PolarHBondContact OD1-N 3.03Å; G87-V314 VanDerWaalsContact CA-CG1 3.44Å; G87-V314 VanDerWaalsContact CA-O 3.23Å; G87-V314 WeakPolarHBondContact CA-O 3.2Å; G87-V314 PolarHBondContact N-O 3.48Å; S88-V314 VanDerWaalsContact OG-CG1 3.25Å; S88-V314 WeakPolarHBondContact OG-CG1 3.3Å; G310-V314 WeakPolarHBondContact O-CG2 3.15Å; V314-E317 WeakPolarHBondContact CG2-OE2 3.48Å; V314-K318 WeakPolarHBondContact O-CB 3.11Å; V314-K318 PolarHBondContact O-N 2.88Å
315	V	78.1	Confident	75.4	Confident	34 Å²	34	82.6 Å²	82.6	21%	0.206	46%	0.457	C	S	.	.	H	α-helix	trans	-80	-45.7	162.8	137.4	0	0	0	0	109.3	E85 N86 V313 E317 K318 E319	E85-V315 WeakPolarHBondContact O-CG2 3.3Å; N86-V315 HydrophobicContact CB-CG2 4.43Å; N86-V315 WeakPolarHBondContact ND2-CB 3.41Å; N86-V315 WeakPolarHBondContact ND2-CG2 3.47Å; N86-V315 PolarHBondContact ND2-N 3.1Å; N86-V315 PolarHBondContact OD1-N 3.17Å; V313-V315 PolarHBondContact O-N 2.74Å; V313-V315 VanDerWaalsContact O-N 3.14Å; V315-E317 PolarHBondContact O-N 2.67Å; V315-K318 CarbonylContact O-C 3.56Å; V315-K318 WeakPolarHBondContact O-CA 3.46Å; V315-K318 WeakPolarHBondContact O-CB 3.36Å; V315-K318 PolarHBondContact O-N 3.46Å; V315-E319 HydrophobicContact CG1-CG 4.21Å; V315-E319 WeakPolarHBondContact O-CB 3.44Å; V315-E319 PolarHBondContact O-N 3.24Å
316	L	77.6	Confident	75.7	Confident	108 Å²	108	82 Å²	82	57%	0.565	45%	0.453	S	S	*	.	H	α-helix	trans	-64.8	-31	-179.1	-58.4	172.1	0	0	0	107.7	V313 C320	V313-L316 WeakPolarHBondContact O-CA 3.24Å; V313-L316 WeakPolarHBondContact O-CB 3.25Å; V313-L316 PolarHBondContact O-N 3.08Å; L316-C320 WeakPolarHBondContact O-CB 3.33Å; L316-C320 PolarHBondContact O-N 2.89Å; L316-C320 PolarHBondContact O-SG 2.84Å
317	E	77.2	Confident	75.9	Confident	104 Å²	104	81.5 Å²	81.5	49%	0.486	45%	0.45	S	S	.	.	H	α-helix	trans	-69.8	-37.5	164.3	-59.2	-179.9	157	0	0	113.9	V313 V314 V315 S321	V313-E317 HydrophobicContact CG1-CG 4.3Å; V313-E317 PolarHBondContact O-N 3.16Å; V313-E317 VanDerWaalsContact O-N 3.08Å; V314-E317 WeakPolarHBondContact CG2-OE2 3.48Å; V315-E317 PolarHBondContact O-N 2.67Å; E317-S321 WeakPolarHBondContact O-CB 3.36Å; E317-S321 PolarHBondContact O-N 2.8Å; E317-S321 PolarHBondContact O-OG 3.06Å
318	K	78.2	Confident	76.3	Confident	108 Å²	108	83.5 Å²	83.5	47%	0.47	46%	0.459	S	S	.	.	H	α-helix	trans	-69.4	-33.7	175.7	-151.9	-178.9	-148.8	152.2	0	113.9	G87 V314 V315 S321 G322	G87-K318 VanDerWaalsContact O-CE 3.31Å; G87-K318 WeakPolarHBondContact O-CE 3.45Å; G87-K318 PolarHBondContact O-NZ 2.61Å; V314-K318 WeakPolarHBondContact O-CB 3.11Å; V314-K318 PolarHBondContact O-N 2.88Å; V315-K318 CarbonylContact O-C 3.56Å; V315-K318 WeakPolarHBondContact O-CA 3.46Å; V315-K318 WeakPolarHBondContact O-CB 3.36Å; V315-K318 PolarHBondContact O-N 3.46Å; K318-S321 WeakPolarHBondContact CA-OG 3.49Å; K318-S321 PolarHBondContact O-OG 3.06Å; K318-G322 WeakPolarHBondContact O-CA 3.43Å; K318-G322 PolarHBondContact O-N 3.36Å
319	E	78.8	Confident	76.5	Confident	119 Å²	119	82.4 Å²	82.4	56%	0.556	45%	0.453	S	S	*	.	H	α-helix	trans	-83.9	-39.1	176.8	-72.4	-168	140.8	0	0	110.8	V315 G322 L323	V315-E319 HydrophobicContact CG1-CG 4.21Å; V315-E319 WeakPolarHBondContact O-CB 3.44Å; V315-E319 PolarHBondContact O-N 3.24Å; E319-G322 CarbonylContact O-C 3.58Å; E319-G322 PolarHBondContact O-N 2.97Å; E319-L323 VanDerWaalsContact O-CB 3.29Å; E319-L323 WeakPolarHBondContact O-CB 3.02Å; E319-L323 VanDerWaalsContact O-CG 3.28Å; E319-L323 WeakPolarHBondContact O-CG 3.26Å; E319-L323 PolarHBondContact O-N 2.87Å
320	C	77.5	Confident	76.6	Confident	76 Å²	76	83.9 Å²	83.9	51%	0.514	46%	0.457	S	S	.	.	H	α-helix	trans	-62	-47.4	167.8	-79.2	0	0	0	0	110.8	L316 G322 L323 E324	L316-C320 WeakPolarHBondContact O-CB 3.33Å; L316-C320 PolarHBondContact O-N 2.89Å; L316-C320 PolarHBondContact O-SG 2.84Å; C320-G322 VanDerWaalsContact C-N 3.3Å; C320-G322 PolarHBondContact O-N 2.75Å; C320-L323 PolarHBondContact O-N 3.33Å; C320-E324 WeakPolarHBondContact O-CB 3.32Å; C320-E324 WeakPolarHBondContact O-CG 3.49Å; C320-E324 PolarHBondContact O-N 3.47Å
321	S	77.3	Confident	76.6	Confident	66 Å²	66	88.1 Å²	88.1	46%	0.462	47%	0.466	S	S	.	.	H	α-helix	trans	-68.3	-28	174.9	59.1	0	0	0	0	112.8	E317 K318 S325	E317-S321 WeakPolarHBondContact O-CB 3.36Å; E317-S321 PolarHBondContact O-N 2.8Å; E317-S321 PolarHBondContact O-OG 3.06Å; K318-S321 WeakPolarHBondContact CA-OG 3.49Å; K318-S321 PolarHBondContact O-OG 3.06Å; S321-S325 WeakPolarHBondContact O-CA 3.14Å; S321-S325 WeakPolarHBondContact O-CB 3.21Å; S321-S325 PolarHBondContact O-N 3.29Å
322	G	80.1	Confident	76.4	Confident	30 Å²	30	87.9 Å²	87.9	31%	0.309	47%	0.472	S	S	.	.	H	α-helix	trans	-68.4	-38.1	169.9	0	0	0	0	0	113.4	K318 E319 C320 S326	K318-G322 WeakPolarHBondContact O-CA 3.43Å; K318-G322 PolarHBondContact O-N 3.36Å; E319-G322 CarbonylContact O-C 3.58Å; E319-G322 PolarHBondContact O-N 2.97Å; C320-G322 VanDerWaalsContact C-N 3.3Å; C320-G322 PolarHBondContact O-N 2.75Å; G322-S326 WeakPolarHBondContact O-CB 3.2Å; G322-S326 PolarHBondContact O-N 3.07Å; G322-S326 PolarHBondContact O-OG 3.04Å
323	L	76.9	Confident	76.3	Confident	115 Å²	115	87.4 Å²	87.4	60%	0.602	47%	0.473	S	S	*	.	H	α-helix	trans	-77	-40.5	175.6	-74.9	168.1	0	0	0	111.8	E319 C320 S325 S326 V327	E319-L323 VanDerWaalsContact O-CB 3.29Å; E319-L323 WeakPolarHBondContact O-CB 3.02Å; E319-L323 VanDerWaalsContact O-CG 3.28Å; E319-L323 WeakPolarHBondContact O-CG 3.26Å; E319-L323 PolarHBondContact O-N 2.87Å; C320-L323 PolarHBondContact O-N 3.33Å; L323-S325 VanDerWaalsContact C-N 3.32Å; L323-S326 CarbonylContact O-C 3.43Å; L323-S326 PolarHBondContact O-N 2.69Å; L323-V327 WeakPolarHBondContact O-CB 3.35Å; L323-V327 VanDerWaalsContact O-CG2 3.31Å; L323-V327 WeakPolarHBondContact O-CG2 3.12Å; L323-V327 PolarHBondContact O-N 2.79Å
324	E	77.2	Confident	75.7	Confident	129 Å²	129	89 Å²	89	60%	0.603	48%	0.478	S	S	*	.	H	α-helix	trans	-65.6	-35.5	171	-74.1	-170.5	165.5	0	0	111.5	C320 K328	C320-E324 WeakPolarHBondContact O-CB 3.32Å; C320-E324 WeakPolarHBondContact O-CG 3.49Å; C320-E324 PolarHBondContact O-N 3.47Å; E324-K328 VanDerWaalsContact O-CB 3.28Å; E324-K328 WeakPolarHBondContact O-CB 3.29Å; E324-K328 WeakPolarHBondContact O-CG 3.33Å; E324-K328 PolarHBondContact O-N 3.12Å
325	S	77.2	Confident	75.1	Confident	75 Å²	75	89.7 Å²	89.7	52%	0.524	48%	0.484	S	S	.	.	H	α-helix	trans	-62.4	-48.1	168.5	177.1	0	0	0	0	110.6	S321 L323 V327 K328 D329	S321-S325 WeakPolarHBondContact O-CA 3.14Å; S321-S325 WeakPolarHBondContact O-CB 3.21Å; S321-S325 PolarHBondContact O-N 3.29Å; L323-S325 VanDerWaalsContact C-N 3.32Å; S325-V327 VanDerWaalsContact C-N 3.33Å; S325-V327 PolarHBondContact O-N 3.06Å; S325-K328 CarbonylContact O-C 3.59Å; S325-K328 PolarHBondContact O-N 2.63Å; S325-D329 WeakPolarHBondContact O-CB 3.07Å; S325-D329 PolarHBondContact O-N 2.75Å
326	S	77	Confident	74.2	Confident	60 Å²	60	91.6 Å²	91.6	42%	0.42	50%	0.496	S	S	.	.	H	α-helix	trans	-63.8	-35	177.4	-59	0	0	0	0	112.9	G322 L323 L330	G322-S326 WeakPolarHBondContact O-CB 3.2Å; G322-S326 PolarHBondContact O-N 3.07Å; G322-S326 PolarHBondContact O-OG 3.04Å; L323-S326 CarbonylContact O-C 3.43Å; L323-S326 PolarHBondContact O-N 2.69Å; S326-L330 WeakPolarHBondContact O-CB 3.28Å; S326-L330 VanDerWaalsContact O-CG 3.28Å; S326-L330 WeakPolarHBondContact O-CG 3.36Å; S326-L330 PolarHBondContact O-N 3.34Å
327	V	77.3	Confident	73.1	Confident	77 Å²	77	90.8 Å²	90.8	47%	0.467	50%	0.499	S	S	.	.	H	α-helix	trans	-72.8	-44	174.3	170	0	0	0	0	110.3	L323 S325 D329 L330 E331	L323-V327 WeakPolarHBondContact O-CB 3.35Å; L323-V327 VanDerWaalsContact O-CG2 3.31Å; L323-V327 WeakPolarHBondContact O-CG2 3.12Å; L323-V327 PolarHBondContact O-N 2.79Å; S325-V327 VanDerWaalsContact C-N 3.33Å; S325-V327 PolarHBondContact O-N 3.06Å; V327-D329 VanDerWaalsContact C-N 3.27Å; V327-D329 PolarHBondContact O-N 2.65Å; V327-L330 CarbonylContact O-C 3.59Å; V327-L330 PolarHBondContact O-N 2.79Å; V327-E331 HydrophobicContact CG1-CG 4.24Å; V327-E331 VanDerWaalsContact O-CB 3.32Å; V327-E331 WeakPolarHBondContact O-CB 3.35Å; V327-E331 WeakPolarHBondContact O-CG 3.37Å; V327-E331 PolarHBondContact O-N 2.61Å
328	K	78.4	Confident	71.9	Confident	144 Å²	144	92.7 Å²	92.7	63%	0.626	51%	0.508	S	S	*	.	H	α-helix	trans	-62.5	-32.2	172.1	-84.8	177.5	174.6	166.6	0	113.1	E324 S325 S332	E324-K328 VanDerWaalsContact O-CB 3.28Å; E324-K328 WeakPolarHBondContact O-CB 3.29Å; E324-K328 WeakPolarHBondContact O-CG 3.33Å; E324-K328 PolarHBondContact O-N 3.12Å; S325-K328 CarbonylContact O-C 3.59Å; S325-K328 PolarHBondContact O-N 2.63Å; K328-S332 WeakPolarHBondContact O-CA 3.24Å; K328-S332 WeakPolarHBondContact O-CB 3.39Å; K328-S332 PolarHBondContact O-N 3.4Å; K328-S332 PolarHBondContact O-OG 2.78Å; K328-S332 VanDerWaalsContact O-OG 3.12Å
329	D	76.6	Confident	70.5	Confident	69 Å²	69	90.3 Å²	90.3	37%	0.369	50%	0.499	S	S	.	.	H	α-helix	trans	-75.2	-34.4	176	-179.6	61.8	0	0	0	111.4	S325 V327 S332 K333	S325-D329 WeakPolarHBondContact O-CB 3.07Å; S325-D329 PolarHBondContact O-N 2.75Å; V327-D329 VanDerWaalsContact C-N 3.27Å; V327-D329 PolarHBondContact O-N 2.65Å; D329-S332 WeakPolarHBondContact CA-OG 3.4Å; D329-S332 PolarHBondContact O-OG 3.09Å; D329-S332 VanDerWaalsContact O-OG 3.12Å; D329-K333 WeakPolarHBondContact O-CB 3.32Å; D329-K333 VanDerWaalsContact O-CD 3.29Å; D329-K333 WeakPolarHBondContact O-CD 3.21Å; D329-K333 WeakPolarHBondContact O-CG 3.22Å; D329-K333 PolarHBondContact O-N 2.93Å; D329-K333 WeakPolarHBondContact OD1-CE 3.38Å; D329-K333 IonicContact OD1-NZ 2.69Å; D329-K333 PolarHBondContact OD1-NZ 3.38Å; D329-K333 IonicContact OD2-NZ 3.86Å; D329-K333 PolarHBondContact OD2-NZ 2.89Å
330	L	73	Confident	69.2	Low	118 Å²	118	89.7 Å²	89.7	62%	0.618	50%	0.499	S	S	*	.	H	α-helix	trans	-75.4	-34.2	170.3	-73.9	171.1	0	0	0	112.9	S326 V327 L334	S326-L330 WeakPolarHBondContact O-CB 3.28Å; S326-L330 VanDerWaalsContact O-CG 3.28Å; S326-L330 WeakPolarHBondContact O-CG 3.36Å; S326-L330 PolarHBondContact O-N 3.34Å; V327-L330 CarbonylContact O-C 3.59Å; V327-L330 PolarHBondContact O-N 2.79Å; L330-L334 WeakPolarHBondContact O-CB 3.39Å; L330-L334 PolarHBondContact O-N 3.36Å
331	E	73.1	Confident	67.9	Low	126 Å²	126	91.4 Å²	91.4	59%	0.589	51%	0.507	S	S	*	.	H	α-helix	trans	-74	-35.3	173.7	-74.4	-176.6	156.4	0	0	111.3	V327 S335	V327-E331 HydrophobicContact CG1-CG 4.24Å; V327-E331 VanDerWaalsContact O-CB 3.32Å; V327-E331 WeakPolarHBondContact O-CB 3.35Å; V327-E331 WeakPolarHBondContact O-CG 3.37Å; V327-E331 PolarHBondContact O-N 2.61Å; E331-S335 VanDerWaalsContact O-CB 3.23Å; E331-S335 WeakPolarHBondContact O-CB 3.35Å; E331-S335 PolarHBondContact O-N 2.95Å
332	S	70.2	Confident	66.6	Low	56 Å²	56	89.8 Å²	89.8	39%	0.392	50%	0.496	S	S	.	.	H	α-helix	trans	-71.5	-35.9	171.5	74	0	0	0	0	111.5	K328 D329 S335 V336	K328-S332 WeakPolarHBondContact O-CA 3.24Å; K328-S332 WeakPolarHBondContact O-CB 3.39Å; K328-S332 PolarHBondContact O-N 3.4Å; K328-S332 PolarHBondContact O-OG 2.78Å; K328-S332 VanDerWaalsContact O-OG 3.12Å; D329-S332 WeakPolarHBondContact CA-OG 3.4Å; D329-S332 PolarHBondContact O-OG 3.09Å; D329-S332 VanDerWaalsContact O-OG 3.12Å; S332-S335 WeakPolarHBondContact O-CB 3.35Å; S332-S335 PolarHBondContact O-N 2.75Å; S332-V336 VanDerWaalsContact O-CB 3.29Å; S332-V336 WeakPolarHBondContact O-CB 3.4Å; S332-V336 WeakPolarHBondContact O-CG2 3.36Å; S332-V336 PolarHBondContact O-N 2.88Å
333	K	69	Low	65.2	Low	110 Å²	110	92.5 Å²	92.5	48%	0.478	50%	0.501	S	S	.	.	H	α-helix	trans	-71.6	-36.7	172.8	-75	164.3	-176.8	159.7	0	112.6	D329 V336 S337	D329-K333 WeakPolarHBondContact O-CB 3.32Å; D329-K333 VanDerWaalsContact O-CD 3.29Å; D329-K333 WeakPolarHBondContact O-CD 3.21Å; D329-K333 WeakPolarHBondContact O-CG 3.22Å; D329-K333 PolarHBondContact O-N 2.93Å; D329-K333 WeakPolarHBondContact OD1-CE 3.38Å; D329-K333 IonicContact OD1-NZ 2.69Å; D329-K333 PolarHBondContact OD1-NZ 3.38Å; D329-K333 IonicContact OD2-NZ 3.86Å; D329-K333 PolarHBondContact OD2-NZ 2.89Å; K333-V336 PolarHBondContact O-N 2.78Å; K333-S337 PolarHBondContact O-N 2.85Å; K333-S337 PolarHBondContact O-OG 3.16Å
334	L	63	Low	64	Low	110 Å²	110	93.3 Å²	93.3	58%	0.576	51%	0.505	S	S	*	.	H	α-helix	trans	-71.6	-33.7	173.1	-175.8	62.3	0	0	0	111.8	L330 Q338	L330-L334 WeakPolarHBondContact O-CB 3.39Å; L330-L334 PolarHBondContact O-N 3.36Å; L334-Q338 WeakPolarHBondContact O-CG 3.39Å; L334-Q338 PolarHBondContact O-N 2.96Å; L334-Q338 VanDerWaalsContact O-N 3.12Å
335	S	63.2	Low	62.8	Low	49 Å²	49	89.4 Å²	89.4	34%	0.343	49%	0.492	S	S	.	.	H	α-helix	trans	-56.4	-63.5	163.2	-164.1	0	0	0	0	107.5	E331 S332 S337 Q338 E339	E331-S335 VanDerWaalsContact O-CB 3.23Å; E331-S335 WeakPolarHBondContact O-CB 3.35Å; E331-S335 PolarHBondContact O-N 2.95Å; S332-S335 WeakPolarHBondContact O-CB 3.35Å; S332-S335 PolarHBondContact O-N 2.75Å; S335-S337 VanDerWaalsContact C-N 3.27Å; S335-S337 PolarHBondContact O-N 3.3Å; S335-S337 VanDerWaalsContact O-N 3.07Å; S335-Q338 CarbonylContact O-C 3.59Å; S335-Q338 WeakPolarHBondContact O-CA 3.31Å; S335-Q338 WeakPolarHBondContact O-CB 3.36Å; S335-Q338 PolarHBondContact O-N 3Å; S335-E339 WeakPolarHBondContact CB-OE2 3.41Å; S335-E339 WeakPolarHBondContact O-CB 3.39Å; S335-E339 PolarHBondContact O-N 3.24Å; S335-E339 PolarHBondContact OG-OE2 2.68Å
336	V	58.8	Low	61.7	Low	74 Å²	74	89.6 Å²	89.6	45%	0.448	49%	0.49	S	S	.	.	H	α-helix	trans	-50.5	-35.4	-177.8	169.8	0	0	0	0	114.3	S332 K333 E339 D340	S332-V336 VanDerWaalsContact O-CB 3.29Å; S332-V336 WeakPolarHBondContact O-CB 3.4Å; S332-V336 WeakPolarHBondContact O-CG2 3.36Å; S332-V336 PolarHBondContact O-N 2.88Å; K333-V336 PolarHBondContact O-N 2.78Å; V336-E339 VanDerWaalsContact C-N 3.34Å; V336-E339 CarbonylContact O-C 3.56Å; V336-E339 WeakPolarHBondContact O-CA 3.1Å; V336-E339 WeakPolarHBondContact O-CB 3.32Å; V336-E339 PolarHBondContact O-N 3.37Å; V336-D340 PolarHBondContact O-N 2.94Å
337	S	54.6	Low	60.7	Low	91 Å²	91	92.2 Å²	92.2	64%	0.636	50%	0.499	S	S	*	.	H	α-helix	trans	-84.7	-10.6	173.1	-59.8	0	0	0	0	115.2	K333 S335 E339	K333-S337 PolarHBondContact O-N 2.85Å; K333-S337 PolarHBondContact O-OG 3.16Å; S335-S337 VanDerWaalsContact C-N 3.27Å; S335-S337 PolarHBondContact O-N 3.3Å; S335-S337 VanDerWaalsContact O-N 3.07Å; S337-E339 VanDerWaalsContact C-N 3.32Å
338	Q	52.3	Low	59.8	Low	144 Å²	144	95.7 Å²	95.7	67%	0.673	51%	0.508	S	S	*	.	H	α-helix	trans	-91.2	1	153.2	-63.9	-174.1	-26.2	0	0	111.6	L334 S335 V341	L334-Q338 WeakPolarHBondContact O-CG 3.39Å; L334-Q338 PolarHBondContact O-N 2.96Å; L334-Q338 VanDerWaalsContact O-N 3.12Å; S335-Q338 CarbonylContact O-C 3.59Å; S335-Q338 WeakPolarHBondContact O-CA 3.31Å; S335-Q338 WeakPolarHBondContact O-CB 3.36Å; S335-Q338 PolarHBondContact O-N 3Å; Q338-V341 WeakPolarHBondContact O-CB 3.5Å; Q338-V341 VanDerWaalsContact O-CG2 3.32Å; Q338-V341 WeakPolarHBondContact O-CG2 3.25Å
339	E	49.5	Very low	59.2	Low	59 Å²	59	94 Å²	94	28%	0.276	50%	0.504	S	S	.	.			trans	-119	17.6	-170.1	-125.8	156.1	-178.9	0	0	114.5	S335 V336 S337 V341 S342 Q343	S335-E339 WeakPolarHBondContact CB-OE2 3.41Å; S335-E339 WeakPolarHBondContact O-CB 3.39Å; S335-E339 PolarHBondContact O-N 3.24Å; S335-E339 PolarHBondContact OG-OE2 2.68Å; V336-E339 VanDerWaalsContact C-N 3.34Å; V336-E339 CarbonylContact O-C 3.56Å; V336-E339 WeakPolarHBondContact O-CA 3.1Å; V336-E339 WeakPolarHBondContact O-CB 3.32Å; V336-E339 PolarHBondContact O-N 3.37Å; S337-E339 VanDerWaalsContact C-N 3.32Å; E339-V341 PolarHBondContact O-N 3.08Å; E339-V341 VanDerWaalsContact O-N 3.12Å; E339-S342 WeakPolarHBondContact CG-OG 3.2Å; E339-S342 CarbonylContact O-C 3.58Å; E339-S342 PolarHBondContact O-N 2.75Å; E339-S342 WeakPolarHBondContact OE1-CB 3.34Å; E339-S342 PolarHBondContact OE1-OG 2.83Å; E339-Q343 WeakPolarHBondContact O-CG 3.32Å; E339-Q343 PolarHBondContact O-N 3.38Å
340	D	50.2	Low	58.5	Low	105 Å²	105	96.2 Å²	96.2	56%	0.561	51%	0.512	S	S	*	.	H	α-helix	trans	-52.9	-22.7	144.1	-57.4	-42.2	0	0	0	109.9	V336 Q343	V336-D340 PolarHBondContact O-N 2.94Å; D340-Q343 PolarHBondContact OD1-NE2 3.36Å
341	V	50.5	Low	58	Low	112 Å²	112	93.9 Å²	93.9	68%	0.679	51%	0.505	S	S	*	.	H	α-helix	trans	-72.2	-26.6	169.8	-173.8	0	0	0	0	114.4	Q338 E339	Q338-V341 WeakPolarHBondContact O-CB 3.5Å; Q338-V341 VanDerWaalsContact O-CG2 3.32Å; Q338-V341 WeakPolarHBondContact O-CG2 3.25Å; E339-V341 PolarHBondContact O-N 3.08Å; E339-V341 VanDerWaalsContact O-N 3.12Å
342	S	50.6	Low	57.9	Low	33 Å²	33	92 Å²	92	23%	0.231	50%	0.502	C	S	.	.	H	α-helix	trans	-124.3	8.4	176.5	-15.6	0	0	0	0	115.6	E339 L344 S345 T346	E339-S342 WeakPolarHBondContact CG-OG 3.2Å; E339-S342 CarbonylContact O-C 3.58Å; E339-S342 PolarHBondContact O-N 2.75Å; E339-S342 WeakPolarHBondContact OE1-CB 3.34Å; E339-S342 PolarHBondContact OE1-OG 2.83Å; S342-L344 PolarHBondContact O-N 3.18Å; S342-S345 VanDerWaalsContact C-N 3.26Å; S342-S345 VanDerWaalsContact CB-OG 3.24Å; S342-S345 WeakPolarHBondContact CB-OG 3.49Å; S342-S345 CarbonylContact O-C 3.57Å; S342-S345 VanDerWaalsContact O-CA 3.24Å; S342-S345 WeakPolarHBondContact O-CA 3.24Å; S342-S345 WeakPolarHBondContact O-CB 3.24Å; S342-S345 PolarHBondContact O-N 2.9Å; S342-S345 PolarHBondContact O-OG 3.43Å; S342-T346 PolarHBondContact O-N 2.94Å; S342-T346 PolarHBondContact O-OG1 3.05Å
343	Q	51.1	Low	57.9	Low	87 Å²	87	93 Å²	93	41%	0.407	50%	0.504	S	S	.	.	H	α-helix	trans	-57.7	-37	149.4	-75	169.4	38.8	0	0	109.3	E339 D340 S345 T346 L347	E339-Q343 WeakPolarHBondContact O-CG 3.32Å; E339-Q343 PolarHBondContact O-N 3.38Å; D340-Q343 PolarHBondContact OD1-NE2 3.36Å; Q343-S345 PolarHBondContact O-N 3.12Å; Q343-S345 VanDerWaalsContact O-N 3.16Å; Q343-T346 PolarHBondContact O-N 3.42Å; Q343-L347 PolarHBondContact O-N 2.83Å
344	L	50.7	Low	58.1	Low	131 Å²	131	93 Å²	93	69%	0.686	51%	0.508	S	S	*	.	H	α-helix	trans	-57.7	-15.7	162.8	-87.4	164.9	0	0	0	114.6	S342 K348	S342-L344 PolarHBondContact O-N 3.18Å; L344-K348 WeakPolarHBondContact O-CB 3.39Å
345	S	53	Low	58.5	Low	48 Å²	48	96.4 Å²	96.4	34%	0.336	51%	0.513	S	S	.	.	H	α-helix	trans	-96.7	-35.8	173.3	90.7	0	0	0	0	112.4	S342 Q343 K348 I349	S342-S345 VanDerWaalsContact C-N 3.26Å; S342-S345 VanDerWaalsContact CB-OG 3.24Å; S342-S345 WeakPolarHBondContact CB-OG 3.49Å; S342-S345 CarbonylContact O-C 3.57Å; S342-S345 VanDerWaalsContact O-CA 3.24Å; S342-S345 WeakPolarHBondContact O-CA 3.24Å; S342-S345 WeakPolarHBondContact O-CB 3.24Å; S342-S345 PolarHBondContact O-N 2.9Å; S342-S345 PolarHBondContact O-OG 3.43Å; Q343-S345 PolarHBondContact O-N 3.12Å; Q343-S345 VanDerWaalsContact O-N 3.16Å; S345-K348 CarbonylContact O-C 3.57Å; S345-K348 WeakPolarHBondContact O-CA 3.21Å; S345-K348 WeakPolarHBondContact O-CB 3.24Å; S345-K348 PolarHBondContact O-N 2.69Å; S345-K348 VanDerWaalsContact O-N 3.13Å; S345-I349 WeakPolarHBondContact O-CG1 3.38Å; S345-I349 PolarHBondContact O-N 2.77Å
346	T	54.6	Low	59	Low	78 Å²	78	96.2 Å²	96.2	48%	0.479	51%	0.514	S	S	.	.	H	α-helix	trans	-63.8	-48.9	173.8	-22.7	0	0	0	0	110.3	S342 Q343 K348 I349 E350	S342-T346 PolarHBondContact O-N 2.94Å; S342-T346 PolarHBondContact O-OG1 3.05Å; Q343-T346 PolarHBondContact O-N 3.42Å; T346-K348 PolarHBondContact O-N 3Å; T346-I349 PolarHBondContact O-N 3.43Å; T346-E350 PolarHBondContact O-N 2.71Å
347	L	55.1	Low	59.8	Low	116 Å²	116	97.9 Å²	97.9	61%	0.607	52%	0.516	S	S	*	.	H	α-helix	trans	-57.9	-31.2	171.4	-93.8	162.2	0	0	0	112.8	Q343 C351	Q343-L347 PolarHBondContact O-N 2.83Å; L347-C351 WeakPolarHBondContact O-CB 3.34Å; L347-C351 PolarHBondContact O-N 3.1Å
348	K	58.9	Low	60.8	Low	150 Å²	150	97.7 Å²	97.7	65%	0.652	51%	0.511	S	S	*	.	H	α-helix	trans	-74.5	-37.5	175.9	-174.8	179.2	179.7	-178.5	0	112.1	L344 S345 T346 C351 T352	L344-K348 WeakPolarHBondContact O-CB 3.39Å; S345-K348 CarbonylContact O-C 3.57Å; S345-K348 WeakPolarHBondContact O-CA 3.21Å; S345-K348 WeakPolarHBondContact O-CB 3.24Å; S345-K348 PolarHBondContact O-N 2.69Å; S345-K348 VanDerWaalsContact O-N 3.13Å; T346-K348 PolarHBondContact O-N 3Å; K348-C351 PolarHBondContact O-N 2.69Å; K348-T352 PolarHBondContact O-N 2.79Å; K348-T352 PolarHBondContact O-OG1 3.16Å
349	I	65.5	Low	61.8	Low	109 Å²	109	97.1 Å²	97.1	56%	0.559	51%	0.508	S	S	*	.	H	α-helix	trans	-66.6	-47	174	-70.1	165.6	0	0	0	109.8	S345 T346 C351 T352 D353	S345-I349 WeakPolarHBondContact O-CG1 3.38Å; S345-I349 PolarHBondContact O-N 2.77Å; T346-I349 PolarHBondContact O-N 3.43Å; I349-C351 VanDerWaalsContact C-N 3.31Å; I349-C351 PolarHBondContact O-N 3.49Å; I349-T352 WeakPolarHBondContact CA-OG1 3.35Å; I349-T352 CarbonylContact O-C 3.58Å; I349-T352 PolarHBondContact O-N 3.14Å; I349-T352 VanDerWaalsContact O-N 3.11Å; I349-T352 PolarHBondContact O-OG1 2.97Å; I349-D353 WeakPolarHBondContact O-CB 3.43Å; I349-D353 PolarHBondContact O-N 2.99Å
350	E	61.4	Low	63.1	Low	114 Å²	114	97.3 Å²	97.3	53%	0.533	51%	0.513	S	S	.	.	H	α-helix	trans	-61.1	-38.8	174.1	-69.8	-177.7	143.7	0	0	112	T346 D353 L354	T346-E350 PolarHBondContact O-N 2.71Å; E350-D353 PolarHBondContact O-N 3.2Å; E350-L354 WeakPolarHBondContact O-CB 3.37Å; E350-L354 WeakPolarHBondContact O-CG 3.32Å; E350-L354 PolarHBondContact O-N 2.86Å
351	C	62.2	Low	64.3	Low	69 Å²	69	97.5 Å²	97.5	47%	0.466	51%	0.513	S	S	.	.	H	α-helix	trans	-64.9	-38.4	173.6	-166.3	0	0	0	0	112	L347 K348 I349 W355	L347-C351 WeakPolarHBondContact O-CB 3.34Å; L347-C351 PolarHBondContact O-N 3.1Å; K348-C351 PolarHBondContact O-N 2.69Å; I349-C351 VanDerWaalsContact C-N 3.31Å; I349-C351 PolarHBondContact O-N 3.49Å; C351-W355 WeakPolarHBondContact O-CB 3.45Å; C351-W355 PolarHBondContact O-N 2.83Å
352	T	70.7	Confident	65.5	Low	86 Å²	86	97 Å²	97	53%	0.528	50%	0.504	S	S	.	.	H	α-helix	trans	-69.8	-34	172.2	48.7	0	0	0	0	113.6	K348 I349 W355 A356	K348-T352 PolarHBondContact O-N 2.79Å; K348-T352 PolarHBondContact O-OG1 3.16Å; I349-T352 WeakPolarHBondContact CA-OG1 3.35Å; I349-T352 CarbonylContact O-C 3.58Å; I349-T352 PolarHBondContact O-N 3.14Å; I349-T352 VanDerWaalsContact O-N 3.11Å; I349-T352 PolarHBondContact O-OG1 2.97Å; T352-W355 PolarHBondContact O-N 3.05Å; T352-A356 WeakPolarHBondContact O-CB 3.14Å; T352-A356 PolarHBondContact O-N 3.41Å
353	D	71.4	Confident	66.8	Low	79 Å²	79	100.4 Å²	100.4	42%	0.422	52%	0.519	S	S	.	.	H	α-helix	trans	-74.4	-35.2	178.5	-167.4	59.7	0	0	0	111.5	I349 E350 A356 K357	I349-D353 WeakPolarHBondContact O-CB 3.43Å; I349-D353 PolarHBondContact O-N 2.99Å; E350-D353 PolarHBondContact O-N 3.2Å; D353-A356 PolarHBondContact O-N 2.83Å; D353-K357 WeakPolarHBondContact O-CB 3.44Å; D353-K357 WeakPolarHBondContact O-CD 3.44Å; D353-K357 VanDerWaalsContact O-CG 3.25Å; D353-K357 WeakPolarHBondContact O-CG 3.25Å; D353-K357 PolarHBondContact O-N 3.22Å; D353-K357 WeakPolarHBondContact OD2-CE 3.5Å; D353-K357 IonicContact OD2-NZ 3.6Å; D353-K357 PolarHBondContact OD2-NZ 3.15Å
354	L	73.3	Confident	68.1	Low	109 Å²	109	98.9 Å²	98.9	57%	0.571	51%	0.513	S	S	*	.	H	α-helix	trans	-63.6	-42	166.4	-77.4	167.1	0	0	0	111.8	E350 K357 V358	E350-L354 WeakPolarHBondContact O-CB 3.37Å; E350-L354 WeakPolarHBondContact O-CG 3.32Å; E350-L354 PolarHBondContact O-N 2.86Å; L354-K357 PolarHBondContact O-N 3.22Å; L354-V358 WeakPolarHBondContact O-CG2 3.29Å; L354-V358 PolarHBondContact O-N 3.13Å
355	W	70.9	Confident	69.4	Low	182 Å²	182	97.4 Å²	97.4	69%	0.689	51%	0.505	S	S	*	.	H	α-helix	trans	-61.3	-44	172.7	-98.9	90.5	0	0	0	112.2	C351 T352 K357 V358 E359	C351-W355 WeakPolarHBondContact O-CB 3.45Å; C351-W355 PolarHBondContact O-N 2.83Å; T352-W355 PolarHBondContact O-N 3.05Å; W355-K357 VanDerWaalsContact C-N 3.32Å; W355-K357 PolarHBondContact O-N 2.97Å; W355-V358 PolarHBondContact O-N 2.74Å; W355-E359 WeakPolarHBondContact O-CB 3.47Å; W355-E359 PolarHBondContact O-N 3.11Å
356	A	73.8	Confident	70.6	Confident	44 Å²	44	98.5 Å²	98.5	36%	0.364	51%	0.508	S	S	.	.	H	α-helix	trans	-62.7	-37.3	175.2	0	0	0	0	0	112.1	T352 D353 T360	T352-A356 WeakPolarHBondContact O-CB 3.14Å; T352-A356 PolarHBondContact O-N 3.41Å; D353-A356 PolarHBondContact O-N 2.83Å; A356-T360 WeakPolarHBondContact O-CB 3.22Å; A356-T360 PolarHBondContact O-N 2.68Å; A356-T360 PolarHBondContact O-OG1 2.91Å
357	K	75.9	Confident	71.8	Confident	110 Å²	110	99.1 Å²	99.1	48%	0.478	50%	0.501	S	S	.	.	H	α-helix	trans	-67	-40.8	173.2	-73.9	162.9	-175.3	166.6	0	112.1	D353 L354 W355 T360 L361	D353-K357 WeakPolarHBondContact O-CB 3.44Å; D353-K357 WeakPolarHBondContact O-CD 3.44Å; D353-K357 VanDerWaalsContact O-CG 3.25Å; D353-K357 WeakPolarHBondContact O-CG 3.25Å; D353-K357 PolarHBondContact O-N 3.22Å; D353-K357 WeakPolarHBondContact OD2-CE 3.5Å; D353-K357 IonicContact OD2-NZ 3.6Å; D353-K357 PolarHBondContact OD2-NZ 3.15Å; L354-K357 PolarHBondContact O-N 3.22Å; W355-K357 VanDerWaalsContact C-N 3.32Å; W355-K357 PolarHBondContact O-N 2.97Å; K357-T360 WeakPolarHBondContact O-CB 3.15Å; K357-T360 PolarHBondContact O-N 3.41Å; K357-L361 WeakPolarHBondContact O-CB 3.22Å; K357-L361 VanDerWaalsContact O-CG 3.29Å; K357-L361 WeakPolarHBondContact O-CG 3.44Å; K357-L361 PolarHBondContact O-N 3.46Å
358	V	74.5	Confident	72.8	Confident	87 Å²	87	95.2 Å²	95.2	53%	0.527	49%	0.486	S	S	.	.	H	α-helix	trans	-64.6	-43.5	174.4	169	0	0	0	0	111.4	L354 W355 T360 L361 Q362	L354-V358 WeakPolarHBondContact O-CG2 3.29Å; L354-V358 PolarHBondContact O-N 3.13Å; W355-V358 PolarHBondContact O-N 2.74Å; V358-T360 VanDerWaalsContact C-N 3.34Å; V358-T360 PolarHBondContact O-N 2.89Å; V358-L361 PolarHBondContact O-N 3.35Å; V358-Q362 PolarHBondContact O-N 2.81Å
359	E	74.9	Confident	73.6	Confident	131 Å²	131	91.5 Å²	91.5	61%	0.612	48%	0.476	S	S	*	.	H	α-helix	trans	-66.2	-36.9	175.9	-168.7	168.1	-133.8	0	0	111.7	W355 L361 Q362 L363	W355-E359 WeakPolarHBondContact O-CB 3.47Å; W355-E359 PolarHBondContact O-N 3.11Å; E359-L361 VanDerWaalsContact C-N 3.35Å; E359-L361 PolarHBondContact O-N 3.27Å; E359-Q362 PolarHBondContact O-N 3.29Å; E359-L363 PolarHBondContact O-N 2.98Å
360	T	76.1	Confident	74.2	Confident	64 Å²	64	92.4 Å²	92.4	39%	0.393	48%	0.476	S	S	.	.	H	α-helix	trans	-63.5	-37.6	172.2	-64	0	0	0	0	112.4	A356 K357 V358 L364	A356-T360 WeakPolarHBondContact O-CB 3.22Å; A356-T360 PolarHBondContact O-N 2.68Å; A356-T360 PolarHBondContact O-OG1 2.91Å; K357-T360 WeakPolarHBondContact O-CB 3.15Å; K357-T360 PolarHBondContact O-N 3.41Å; V358-T360 VanDerWaalsContact C-N 3.34Å; V358-T360 PolarHBondContact O-N 2.89Å; T360-L364 PolarHBondContact O-N 3.28Å; T360-L364 VanDerWaalsContact O-N 3.08Å
361	L	74.5	Confident	75	Confident	108 Å²	108	91.1 Å²	91.1	57%	0.565	47%	0.469	S	S	*	.	H	α-helix	trans	-72.2	-36.8	174.3	-75.4	167.1	0	0	0	112.2	K357 V358 E359 L364 L365	K357-L361 WeakPolarHBondContact O-CB 3.22Å; K357-L361 VanDerWaalsContact O-CG 3.29Å; K357-L361 WeakPolarHBondContact O-CG 3.44Å; K357-L361 PolarHBondContact O-N 3.46Å; V358-L361 PolarHBondContact O-N 3.35Å; E359-L361 VanDerWaalsContact C-N 3.35Å; E359-L361 PolarHBondContact O-N 3.27Å; L361-L364 HydrophobicContact CD2-CD1 4.09Å; L361-L364 VanDerWaalsContact O-CB 3.26Å; L361-L364 WeakPolarHBondContact O-CB 3.41Å; L361-L364 PolarHBondContact O-N 2.71Å; L361-L365 PolarHBondContact O-N 2.9Å
362	Q	77.5	Confident	75.5	Confident	102 Å²	102	90.4 Å²	90.4	48%	0.477	47%	0.469	S	S	.	.	H	α-helix	trans	-65	-43.1	174.1	-170.9	62.1	55.1	0	0	111.1	V358 E359 L364 L365 D366	V358-Q362 PolarHBondContact O-N 2.81Å; E359-Q362 PolarHBondContact O-N 3.29Å; Q362-L364 VanDerWaalsContact C-N 3.29Å; Q362-L364 PolarHBondContact O-N 3.37Å; Q362-L365 PolarHBondContact O-N 3.22Å; Q362-D366 PolarHBondContact NE2-OD1 2.8Å; Q362-D366 PolarHBondContact O-N 3.43Å
363	L	77.6	Confident	75.7	Confident	105 Å²	105	92.1 Å²	92.1	55%	0.55	47%	0.471	S	S	.	.	H	α-helix	trans	-64.3	-31.6	172.9	-78.4	167.4	0	0	0	113.2	E359 R367	E359-L363 PolarHBondContact O-N 2.98Å; L363-R367 PolarHBondContact O-N 2.94Å; L363-R367 VanDerWaalsContact O-N 3.14Å
364	L	77.5	Confident	75.9	Confident	54 Å²	54	94.6 Å²	94.6	28%	0.283	48%	0.48	S	S	.	.	H	α-helix	trans	-63.6	-48.7	170	-99.8	166	0	0	0	111.3	K101 T360 L361 Q362 R367 A368	K101-L364 HydrophobicContact CB-CD2 3.67Å; K101-L364 HydrophobicContact CB-CG 4.46Å; K101-L364 HydrophobicContact CD-CD1 4.41Å; K101-L364 HydrophobicContact CD-CD2 3.81Å; K101-L364 HydrophobicContact CD-CG 3.68Å; K101-L364 HydrophobicContact CG-CD1 4.45Å; K101-L364 HydrophobicContact CG-CD2 3.69Å; K101-L364 HydrophobicContact CG-CG 3.99Å; T360-L364 PolarHBondContact O-N 3.28Å; T360-L364 VanDerWaalsContact O-N 3.08Å; L361-L364 HydrophobicContact CD2-CD1 4.09Å; L361-L364 VanDerWaalsContact O-CB 3.26Å; L361-L364 WeakPolarHBondContact O-CB 3.41Å; L361-L364 PolarHBondContact O-N 2.71Å; Q362-L364 VanDerWaalsContact C-N 3.29Å; Q362-L364 PolarHBondContact O-N 3.37Å; L364-R367 PolarHBondContact O-N 2.89Å; L364-A368 WeakPolarHBondContact O-CB 3.07Å; L364-A368 PolarHBondContact O-N 3.49Å
365	L	78	Confident	76	Confident	100 Å²	100	91.7 Å²	91.7	52%	0.524	47%	0.472	S	S	.	.	H	α-helix	trans	-64.4	-42	-178.7	-171.6	63.3	0	0	0	111.6	L361 Q362 R367 A368 T369	L361-L365 PolarHBondContact O-N 2.9Å; Q362-L365 PolarHBondContact O-N 3.22Å; L365-R367 PolarHBondContact O-N 3.43Å; L365-A368 PolarHBondContact O-N 3.24Å; L365-T369 VanDerWaalsContact O-CB 3.31Å; L365-T369 WeakPolarHBondContact O-CB 3.46Å; L365-T369 PolarHBondContact O-N 2.96Å; L365-T369 PolarHBondContact O-OG1 3.49Å
366	D	78.3	Confident	76.1	Confident	71 Å²	71	87 Å²	87	38%	0.38	46%	0.462	S	S	.	.	H	α-helix	trans	-61.9	-38.8	173.5	-92.5	46.6	0	0	0	112.7	Q362 K370	Q362-D366 PolarHBondContact NE2-OD1 2.8Å; Q362-D366 PolarHBondContact O-N 3.43Å; D366-K370 WeakPolarHBondContact O-CG 3.39Å; D366-K370 PolarHBondContact O-N 3.24Å; D366-K370 VanDerWaalsContact O-N 3.13Å
367	R	79.3	Confident	76.2	Confident	91 Å²	91	89.1 Å²	89.1	34%	0.343	47%	0.467	S	S	.	.	H	α-helix	trans	-67.6	-48	174.2	-178.1	-179.2	-72.1	-179.9	4.3	111	E100 K101 L363 L364 L365 T369 K370 Q371	E100-R367 PolarHBondContact O-NH1 3.21Å; E100-R367 IonicContact OE2-CZ 3.17Å; E100-R367 IonicContact OE2-NH1 3.33Å; E100-R367 IonicContact OE2-NH2 2.74Å; E100-R367 PolarHBondContact OE2-NH2 3.44Å; K101-R367 PolarHBondContact O-NH1 3.44Å; L363-R367 PolarHBondContact O-N 2.94Å; L363-R367 VanDerWaalsContact O-N 3.14Å; L364-R367 PolarHBondContact O-N 2.89Å; L365-R367 PolarHBondContact O-N 3.43Å; R367-T369 VanDerWaalsContact C-N 3.29Å; R367-T369 PolarHBondContact O-N 2.82Å; R367-K370 PolarHBondContact O-N 3.47Å; R367-Q371 WeakPolarHBondContact O-CG 3.26Å; R367-Q371 PolarHBondContact O-N 3.12Å
368	A	75.6	Confident	76.2	Confident	35 Å²	35	87.3 Å²	87.3	29%	0.289	47%	0.465	S	S	.	.	H	α-helix	trans	-60.9	-39	178.4	0	0	0	0	0	111.9	L364 L365 Q371 A372	L364-A368 WeakPolarHBondContact O-CB 3.07Å; L364-A368 PolarHBondContact O-N 3.49Å; L365-A368 PolarHBondContact O-N 3.24Å; A368-Q371 PolarHBondContact O-N 2.8Å; A368-A372 WeakPolarHBondContact O-CB 3.46Å; A368-A372 PolarHBondContact O-N 3.24Å
369	T	77.6	Confident	76	Confident	71 Å²	71	88.6 Å²	88.6	44%	0.436	47%	0.468	S	S	.	.	H	α-helix	trans	-65.2	-44.8	177.4	-56.7	0	0	0	0	110.9	L365 R367 Q371 A372 E373	L365-T369 VanDerWaalsContact O-CB 3.31Å; L365-T369 WeakPolarHBondContact O-CB 3.46Å; L365-T369 PolarHBondContact O-N 2.96Å; L365-T369 PolarHBondContact O-OG1 3.49Å; R367-T369 VanDerWaalsContact C-N 3.29Å; R367-T369 PolarHBondContact O-N 2.82Å; T369-Q371 PolarHBondContact O-N 3.31Å; T369-A372 WeakPolarHBondContact O-CB 3.41Å; T369-A372 PolarHBondContact O-N 3.08Å; T369-E373 WeakPolarHBondContact O-CG 3.3Å; T369-E373 PolarHBondContact O-N 3.42Å
370	K	78	Confident	76	Confident	128 Å²	128	89.1 Å²	89.1	56%	0.557	47%	0.471	S	S	*	.	H	α-helix	trans	-64.2	-37.7	173.9	-75.3	168.4	-178.6	157.4	0	112.8	D366 R367 A372 E373 Q374	D366-K370 WeakPolarHBondContact O-CG 3.39Å; D366-K370 PolarHBondContact O-N 3.24Å; D366-K370 VanDerWaalsContact O-N 3.13Å; R367-K370 PolarHBondContact O-N 3.47Å; K370-A372 VanDerWaalsContact C-N 3.33Å; K370-E373 PolarHBondContact O-N 3.14Å; K370-Q374 VanDerWaalsContact O-CB 3.3Å; K370-Q374 WeakPolarHBondContact O-CB 3.36Å; K370-Q374 PolarHBondContact O-N 2.9Å
371	Q	76.9	Confident	75.9	Confident	87 Å²	87	91.8 Å²	91.8	41%	0.407	48%	0.479	S	S	.	.	H	α-helix	trans	-65.1	-36.9	173.4	-72.9	175.4	-63.7	0	0	111.6	R367 A368 T369 Q374 A375	R367-Q371 WeakPolarHBondContact O-CG 3.26Å; R367-Q371 PolarHBondContact O-N 3.12Å; A368-Q371 PolarHBondContact O-N 2.8Å; T369-Q371 PolarHBondContact O-N 3.31Å; Q371-Q374 PolarHBondContact O-N 2.9Å; Q371-A375 WeakPolarHBondContact O-CB 3.46Å; Q371-A375 PolarHBondContact O-N 3.43Å
372	A	73.7	Confident	75.8	Confident	54 Å²	54	90.1 Å²	90.1	45%	0.446	47%	0.47	S	S	.	.	H	α-helix	trans	-67.5	-43.7	173.4	0	0	0	0	0	112.4	A368 T369 K370 Q374 A375 V376	A368-A372 WeakPolarHBondContact O-CB 3.46Å; A368-A372 PolarHBondContact O-N 3.24Å; T369-A372 WeakPolarHBondContact O-CB 3.41Å; T369-A372 PolarHBondContact O-N 3.08Å; K370-A372 VanDerWaalsContact C-N 3.33Å; A372-Q374 VanDerWaalsContact C-N 3.28Å; A372-Q374 PolarHBondContact O-N 2.97Å; A372-A375 PolarHBondContact O-N 3.15Å; A372-V376 WeakPolarHBondContact O-CG2 3.5Å; A372-V376 PolarHBondContact O-N 3.38Å
373	E	74.7	Confident	75.7	Confident	123 Å²	123	90 Å²	90	58%	0.575	47%	0.47	S	S	*	.	H	α-helix	trans	-58	-42	171.9	-71	179.7	148.8	0	0	111.4	T369 K370 V376 I377	T369-E373 WeakPolarHBondContact O-CG 3.3Å; T369-E373 PolarHBondContact O-N 3.42Å; K370-E373 PolarHBondContact O-N 3.14Å; E373-V376 PolarHBondContact O-N 3.26Å; E373-I377 WeakPolarHBondContact O-CG1 3.45Å; E373-I377 PolarHBondContact O-N 3.4Å; E373-I377 VanDerWaalsContact O-N 3.14Å
374	Q	75.6	Confident	75.5	Confident	131 Å²	131	89.1 Å²	89.1	61%	0.612	47%	0.466	S	S	*	.	H	α-helix	trans	-69.5	-35.8	178.3	-153.8	164.5	16.2	0	0	111.9	K370 Q371 A372 I377 V378	K370-Q374 VanDerWaalsContact O-CB 3.3Å; K370-Q374 WeakPolarHBondContact O-CB 3.36Å; K370-Q374 PolarHBondContact O-N 2.9Å; Q371-Q374 PolarHBondContact O-N 2.9Å; A372-Q374 VanDerWaalsContact C-N 3.28Å; A372-Q374 PolarHBondContact O-N 2.97Å; Q374-I377 PolarHBondContact O-N 2.84Å; Q374-V378 WeakPolarHBondContact O-CG2 3.25Å; Q374-V378 PolarHBondContact O-N 2.79Å
375	A	74.2	Confident	75.3	Confident	48 Å²	48	90.9 Å²	90.9	40%	0.397	48%	0.475	S	S	.	.	H	α-helix	trans	-66	-36.1	171.2	0	0	0	0	0	112.4	Q371 A372 I377 V378 L379	Q371-A375 WeakPolarHBondContact O-CB 3.46Å; Q371-A375 PolarHBondContact O-N 3.43Å; A372-A375 PolarHBondContact O-N 3.15Å; A375-I377 VanDerWaalsContact C-N 3.34Å; A375-I377 PolarHBondContact O-N 2.96Å; A375-V378 PolarHBondContact O-N 2.96Å; A375-L379 WeakPolarHBondContact O-CB 3.26Å; A375-L379 WeakPolarHBondContact O-CG 3.46Å; A375-L379 PolarHBondContact O-N 3.23Å
376	V	74.8	Confident	75	Confident	82 Å²	82	93.7 Å²	93.7	50%	0.497	48%	0.479	S	S	.	.	H	α-helix	trans	-62.6	-39.6	172.7	168.8	0	0	0	0	111.4	A372 E373 L379 Q380	A372-V376 WeakPolarHBondContact O-CG2 3.5Å; A372-V376 PolarHBondContact O-N 3.38Å; E373-V376 PolarHBondContact O-N 3.26Å; V376-L379 PolarHBondContact O-N 3.15Å; V376-Q380 PolarHBondContact O-N 3.32Å
377	I	75.7	Confident	74.9	Confident	90 Å²	90	94.5 Å²	94.5	46%	0.462	48%	0.483	S	S	.	.	H	α-helix	trans	-63.5	-42.7	173.5	-65.5	167.8	0	0	0	110.9	E373 Q374 A375 Q380 Q381	E373-I377 WeakPolarHBondContact O-CG1 3.45Å; E373-I377 PolarHBondContact O-N 3.4Å; E373-I377 VanDerWaalsContact O-N 3.14Å; Q374-I377 PolarHBondContact O-N 2.84Å; A375-I377 VanDerWaalsContact C-N 3.34Å; A375-I377 PolarHBondContact O-N 2.96Å; I377-Q380 PolarHBondContact O-N 2.95Å; I377-Q381 WeakPolarHBondContact O-CG 3.44Å; I377-Q381 PolarHBondContact O-N 2.77Å
378	V	74.2	Confident	74.8	Confident	71 Å²	71	94.9 Å²	94.9	43%	0.43	49%	0.487	S	S	.	.	H	α-helix	trans	-65.3	-37.3	175.3	173.4	0	0	0	0	111.7	Q374 A375 Q381 N382	Q374-V378 WeakPolarHBondContact O-CG2 3.25Å; Q374-V378 PolarHBondContact O-N 2.79Å; A375-V378 PolarHBondContact O-N 2.96Å; V378-Q381 PolarHBondContact O-N 3.24Å; V378-N382 WeakPolarHBondContact O-CB 3.35Å; V378-N382 PolarHBondContact O-N 3.47Å
379	L	71.5	Confident	74.7	Confident	115 Å²	115	96.6 Å²	96.6	60%	0.602	49%	0.494	S	S	*	.	H	α-helix	trans	-64.7	-38.4	173.7	-74.4	167.6	0	0	0	112.2	A375 V376 N382 Q383	A375-L379 WeakPolarHBondContact O-CB 3.26Å; A375-L379 WeakPolarHBondContact O-CG 3.46Å; A375-L379 PolarHBondContact O-N 3.23Å; V376-L379 PolarHBondContact O-N 3.15Å; L379-N382 PolarHBondContact O-N 3.48Å; L379-Q383 PolarHBondContact O-N 2.87Å
380	Q	73.7	Confident	74.6	Confident	141 Å²	141	98 Å²	98	66%	0.659	50%	0.498	S	S	*	.	H	α-helix	trans	-65.7	-37.4	171.8	-81.8	-179	-34.7	0	0	112.5	V376 I377 Q383 D384	V376-Q380 PolarHBondContact O-N 3.32Å; I377-Q380 PolarHBondContact O-N 2.95Å; Q380-Q383 PolarHBondContact O-N 2.87Å; Q380-D384 PolarHBondContact O-N 2.85Å
381	Q	74	Confident	74.5	Confident	120 Å²	120	99 Å²	99	56%	0.561	50%	0.503	S	S	*	.	H	α-helix	trans	-66.8	-35.6	171.8	-68.7	177.7	4.5	0	0	112.4	I377 V378 Q383 D384 L385	I377-Q381 WeakPolarHBondContact O-CG 3.44Å; I377-Q381 PolarHBondContact O-N 2.77Å; V378-Q381 PolarHBondContact O-N 3.24Å; Q381-Q383 VanDerWaalsContact C-N 3.35Å; Q381-D384 CarbonylContact O-C 3.14Å; Q381-D384 WeakPolarHBondContact O-CB 3.48Å; Q381-D384 PolarHBondContact O-N 3.47Å; Q381-D384 VanDerWaalsContact O-N 3.16Å; Q381-L385 PolarHBondContact O-N 3.45Å
382	N	73.4	Confident	74.2	Confident	73 Å²	73	100 Å²	100	39%	0.39	51%	0.51	S	S	.	.	H	α-helix	trans	-67.8	-31	174.5	-79.9	-26.9	0	0	0	113	V378 L379 D384 L385 R386	V378-N382 WeakPolarHBondContact O-CB 3.35Å; V378-N382 PolarHBondContact O-N 3.47Å; L379-N382 PolarHBondContact O-N 3.48Å; N382-D384 VanDerWaalsContact C-N 3.27Å; N382-D384 PolarHBondContact O-N 3.27Å; N382-L385 PolarHBondContact O-N 3.02Å; N382-R386 PolarHBondContact O-N 2.75Å
383	Q	75.2	Confident	73.9	Confident	100 Å²	100	101.9 Å²	101.9	47%	0.467	51%	0.51	S	S	.	.	H	α-helix	trans	-64.7	-36.6	170.8	-167.7	61.5	28.9	0	0	111.3	L379 Q380 Q381 L385 R386 N387	L379-Q383 PolarHBondContact O-N 2.87Å; Q380-Q383 PolarHBondContact O-N 2.87Å; Q381-Q383 VanDerWaalsContact C-N 3.35Å; Q383-L385 VanDerWaalsContact C-N 3.27Å; Q383-L385 PolarHBondContact O-N 2.89Å; Q383-R386 PolarHBondContact O-N 2.87Å; Q383-N387 VanDerWaalsContact O-CG 3.24Å; Q383-N387 PolarHBondContact O-N 3.25Å; Q383-N387 VanDerWaalsContact O-N 3.09Å; Q383-N387 PolarHBondContact O-ND2 3.23Å
384	D	73.8	Confident	73.8	Confident	87 Å²	87	102.8 Å²	102.8	47%	0.465	51%	0.514	S	S	.	.	H	α-helix	trans	-75.5	-14.4	175.2	-140.8	50.8	0	0	0	113.5	Q380 Q381 N382 K388	Q380-D384 PolarHBondContact O-N 2.85Å; Q381-D384 CarbonylContact O-C 3.14Å; Q381-D384 WeakPolarHBondContact O-CB 3.48Å; Q381-D384 PolarHBondContact O-N 3.47Å; Q381-D384 VanDerWaalsContact O-N 3.16Å; N382-D384 VanDerWaalsContact C-N 3.27Å; N382-D384 PolarHBondContact O-N 3.27Å; D384-K388 VanDerWaalsContact O-CD 3.26Å; D384-K388 WeakPolarHBondContact O-CD 3.46Å; D384-K388 VanDerWaalsContact O-CE 3.25Å; D384-K388 WeakPolarHBondContact O-CE 3.45Å; D384-K388 WeakPolarHBondContact O-CG 3.35Å; D384-K388 PolarHBondContact O-NZ 3.01Å; D384-K388 IonicContact OD2-NZ 3.69Å; D384-K388 PolarHBondContact OD2-NZ 3.47Å; D384-K388 VanDerWaalsContact OD2-NZ 3.16Å
385	L	73.2	Confident	73.4	Confident	90 Å²	90	100.1 Å²	100.1	47%	0.471	51%	0.509	S	S	.	.	H	α-helix	trans	-84.6	-40.4	166.3	-76.4	166.2	0	0	0	111.6	Q381 N382 Q383 N387 K388 V389	Q381-L385 PolarHBondContact O-N 3.45Å; N382-L385 PolarHBondContact O-N 3.02Å; Q383-L385 VanDerWaalsContact C-N 3.27Å; Q383-L385 PolarHBondContact O-N 2.89Å; L385-N387 VanDerWaalsContact C-N 3.35Å; L385-N387 PolarHBondContact O-N 3Å; L385-K388 CarbonylContact O-C 3.41Å; L385-K388 WeakPolarHBondContact O-CA 3.06Å; L385-K388 WeakPolarHBondContact O-CB 2.99Å; L385-K388 PolarHBondContact O-N 3.46Å; L385-V389 WeakPolarHBondContact O-CG2 3.24Å; L385-V389 PolarHBondContact O-N 2.76Å
386	R	72.4	Confident	72.7	Confident	160 Å²	160	102.3 Å²	102.3	60%	0.604	51%	0.514	S	S	*	.	H	α-helix	trans	-55.7	-48.5	172.4	-76.4	177.6	169.2	175.9	-5.6	111.6	N382 Q383 K388 V389 D390	N382-R386 PolarHBondContact O-N 2.75Å; Q383-R386 PolarHBondContact O-N 2.87Å; R386-K388 PolarHBondContact O-N 3.44Å; R386-V389 PolarHBondContact O-N 3.12Å; R386-D390 VanDerWaalsContact O-CG 3.23Å; R386-D390 PolarHBondContact O-N 3.01Å
387	N	75.2	Confident	71.9	Confident	87 Å²	87	105.9 Å²	105.9	47%	0.465	52%	0.523	S	S	.	.	H	α-helix	trans	-55.5	-17.7	172.9	-66.2	-21.7	0	0	0	114.6	Q383 L385	Q383-N387 VanDerWaalsContact O-CG 3.24Å; Q383-N387 PolarHBondContact O-N 3.25Å; Q383-N387 VanDerWaalsContact O-N 3.09Å; Q383-N387 PolarHBondContact O-ND2 3.23Å; L385-N387 VanDerWaalsContact C-N 3.35Å; L385-N387 PolarHBondContact O-N 3Å
388	K	76.7	Confident	71	Confident	99 Å²	99	109.7 Å²	109.7	43%	0.43	54%	0.539	S	S	.	.	H	α-helix	trans	-98.1	-37.2	174.2	-65.8	165.2	-170.3	127.9	0	111.7	D384 L385 R386 K391 I392	D384-K388 VanDerWaalsContact O-CD 3.26Å; D384-K388 WeakPolarHBondContact O-CD 3.46Å; D384-K388 VanDerWaalsContact O-CE 3.25Å; D384-K388 WeakPolarHBondContact O-CE 3.45Å; D384-K388 WeakPolarHBondContact O-CG 3.35Å; D384-K388 PolarHBondContact O-NZ 3.01Å; D384-K388 IonicContact OD2-NZ 3.69Å; D384-K388 PolarHBondContact OD2-NZ 3.47Å; D384-K388 VanDerWaalsContact OD2-NZ 3.16Å; L385-K388 CarbonylContact O-C 3.41Å; L385-K388 WeakPolarHBondContact O-CA 3.06Å; L385-K388 WeakPolarHBondContact O-CB 2.99Å; L385-K388 PolarHBondContact O-N 3.46Å; R386-K388 PolarHBondContact O-N 3.44Å; K388-K391 WeakPolarHBondContact O-CB 3.38Å; K388-K391 PolarHBondContact O-N 3.38Å; K388-I392 VanDerWaalsContact O-CG1 3.26Å; K388-I392 WeakPolarHBondContact O-CG1 3.48Å; K388-I392 PolarHBondContact O-N 2.83Å
389	V	74.3	Confident	70	Confident	72 Å²	72	109.4 Å²	109.4	44%	0.436	54%	0.544	S	S	.	.	H	α-helix	trans	-61.9	-48.4	175.1	171.8	0	0	0	0	110.7	L385 R386 K391 I392 E393	L385-V389 WeakPolarHBondContact O-CG2 3.24Å; L385-V389 PolarHBondContact O-N 2.76Å; R386-V389 PolarHBondContact O-N 3.12Å; V389-K391 PolarHBondContact O-N 2.86Å; V389-K391 VanDerWaalsContact O-N 3.15Å; V389-I392 CarbonylContact O-C 3.13Å; V389-I392 WeakPolarHBondContact O-CA 3.22Å; V389-I392 WeakPolarHBondContact O-CB 3.2Å; V389-I392 PolarHBondContact O-N 3.17Å; V389-E393 HydrophobicContact CG1-CG 4.43Å; V389-E393 PolarHBondContact O-N 2.81Å
390	D	75.5	Confident	68.8	Low	100 Å²	100	110 Å²	110	54%	0.535	55%	0.547	S	S	.	.	H	α-helix	trans	-53.5	-41.2	177.2	-56.8	-22.5	0	0	0	111.2	R386 E393 E394	R386-D390 VanDerWaalsContact O-CG 3.23Å; R386-D390 PolarHBondContact O-N 3.01Å; D390-E393 PolarHBondContact O-N 2.7Å; D390-E394 PolarHBondContact O-N 2.92Å
391	K	75.7	Confident	67.6	Low	149 Å²	149	108.6 Å²	108.6	65%	0.648	55%	0.549	S	S	*	.	H	α-helix	trans	-73.1	-29.8	179.9	-149.1	170.6	-168.5	171.3	0	113.2	K388 V389 S395	K388-K391 WeakPolarHBondContact O-CB 3.38Å; K388-K391 PolarHBondContact O-N 3.38Å; V389-K391 PolarHBondContact O-N 2.86Å; V389-K391 VanDerWaalsContact O-N 3.15Å; K391-S395 PolarHBondContact O-N 2.98Å; K391-S395 PolarHBondContact O-OG 2.76Å
392	I	69.8	Low	66.2	Low	108 Å²	108	113.3 Å²	113.3	55%	0.554	56%	0.563	S	S	*	*	H	α-helix	trans	-76.8	-39.6	173	-71.7	164.7	0	0	0	110	K388 V389 S395 L396	K388-I392 VanDerWaalsContact O-CG1 3.26Å; K388-I392 WeakPolarHBondContact O-CG1 3.48Å; K388-I392 PolarHBondContact O-N 2.83Å; V389-I392 CarbonylContact O-C 3.13Å; V389-I392 WeakPolarHBondContact O-CA 3.22Å; V389-I392 WeakPolarHBondContact O-CB 3.2Å; V389-I392 PolarHBondContact O-N 3.17Å; I392-S395 CarbonylContact O-C 3.57Å; I392-S395 WeakPolarHBondContact O-CB 3.46Å; I392-S395 PolarHBondContact O-N 3.18Å; I392-L396 VanDerWaalsContact O-CB 3.25Å; I392-L396 WeakPolarHBondContact O-CB 3.5Å; I392-L396 PolarHBondContact O-N 3.33Å
393	E	68.4	Low	64.7	Low	94 Å²	94	119.2 Å²	119.2	44%	0.439	59%	0.585	S	S	.	*	H	α-helix	trans	-64.1	-40.4	175	-76.9	-162.1	-168.3	0	0	112.8	V389 D390 S395 L396 K397	V389-E393 HydrophobicContact CG1-CG 4.43Å; V389-E393 PolarHBondContact O-N 2.81Å; D390-E393 PolarHBondContact O-N 2.7Å; E393-S395 VanDerWaalsContact C-N 3.32Å; E393-L396 PolarHBondContact O-N 2.67Å; E393-K397 WeakPolarHBondContact O-CG 3.28Å; E393-K397 PolarHBondContact O-N 3.36Å; E393-K397 IonicContact OE2-NZ 3.58Å; E393-K397 PolarHBondContact OE2-NZ 2.83Å
394	E	72.1	Confident	63	Low	142 Å²	142	122.9 Å²	122.9	66%	0.664	60%	0.602	S	S	*	*	H	α-helix	trans	-62.8	-41.3	173.9	-165.3	159.8	-130.7	0	0	110.6	D390 L396	D390-E394 PolarHBondContact O-N 2.92Å; E394-L396 PolarHBondContact O-N 2.82Å
395	S	67.4	Low	61.6	Low	74 Å²	74	124.5 Å²	124.5	52%	0.517	62%	0.62	S	S	.	*	H	α-helix	trans	-66.6	-31.8	172.4	-53.6	0	0	0	0	113.6	K391 I392 E393 E398	K391-S395 PolarHBondContact O-N 2.98Å; K391-S395 PolarHBondContact O-OG 2.76Å; I392-S395 CarbonylContact O-C 3.57Å; I392-S395 WeakPolarHBondContact O-CB 3.46Å; I392-S395 PolarHBondContact O-N 3.18Å; E393-S395 VanDerWaalsContact C-N 3.32Å; S395-E398 PolarHBondContact O-N 2.86Å
396	L	59.7	Low	60.3	Low	95 Å²	95	123.3 Å²	123.3	50%	0.497	62%	0.619	S	S	.	*	H	α-helix	trans	-78.7	-30.2	-177.6	-167.1	69	0	0	0	111.8	I392 E393 E394 E398 A399	I392-L396 VanDerWaalsContact O-CB 3.25Å; I392-L396 WeakPolarHBondContact O-CB 3.5Å; I392-L396 PolarHBondContact O-N 3.33Å; E393-L396 PolarHBondContact O-N 2.67Å; E394-L396 PolarHBondContact O-N 2.82Å; L396-E398 VanDerWaalsContact C-N 3.26Å; L396-E398 PolarHBondContact O-N 3.38Å; L396-A399 PolarHBondContact O-N 2.86Å; L396-A399 VanDerWaalsContact O-N 3.15Å
397	K	58.6	Low	59.3	Low	156 Å²	156	123.8 Å²	123.8	68%	0.678	63%	0.628	S	S	*	*	H	α-helix	trans	-65	-28.4	171.3	-76.6	161.7	-176.5	143.4	0	112.4	E393	E393-K397 WeakPolarHBondContact O-CG 3.28Å; E393-K397 PolarHBondContact O-N 3.36Å; E393-K397 IonicContact OE2-NZ 3.58Å; E393-K397 PolarHBondContact OE2-NZ 2.83Å
398	E	56.2	Low	58.3	Low	170 Å²	170	127.9 Å²	127.9	79%	0.794	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-17.5	172.3	-63.3	-166	141.2	0	0	113.8	S395 L396	S395-E398 PolarHBondContact O-N 2.86Å; L396-E398 VanDerWaalsContact C-N 3.26Å; L396-E398 PolarHBondContact O-N 3.38Å
399	A	52.6	Low	57.5	Low	65 Å²	65	128 Å²	128	54%	0.537	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95	-23.5	-168.1	0	0	0	0	0	115.8	L396 V401	L396-A399 PolarHBondContact O-N 2.86Å; L396-A399 VanDerWaalsContact O-N 3.15Å; A399-V401 VanDerWaalsContact C-N 3.33Å; A399-V401 PolarHBondContact O-N 3.23Å; A399-V401 VanDerWaalsContact O-N 3.08Å
400	N	47.5	Very low	56.9	Low	127 Å²	127	130.1 Å²	130.1	68%	0.679	65%	0.651	S	S	*	*			trans	-88.2	48.2	-167.3	-88.5	-27	0	0	0	115.2
401	V	46.8	Very low	56.4	Low	113 Å²	113	131.8 Å²	131.8	69%	0.685	66%	0.656	S	S	*	*			trans	-102.5	125.5	168.6	-177.6	0	0	0	0	109.3	A399	A399-V401 VanDerWaalsContact C-N 3.33Å; A399-V401 PolarHBondContact O-N 3.23Å; A399-V401 VanDerWaalsContact O-N 3.08Å
402	Y	44.8	Very low	55.9	Low	218 Å²	218	131.8 Å²	131.8	86%	0.855	65%	0.653	S	S	*	*			trans	69.2	144.8	-160.1	-53.2	-83.6	0	0	0	112.5
403	K	43.2	Very low	55.8	Low	198 Å²	198	130.5 Å²	130.5	86%	0.861	65%	0.647	S	S	*	*			cis	-152	161.1	15.5	-160.2	174.8	176.5	-177.3	0	112
404	E	38.9	Very low	56.1	Low	177 Å²	177	130.9 Å²	130.9	83%	0.827	65%	0.649	S	S	*	*			trans	-87	170.8	-172.6	-58.6	165.1	118.2	0	0	115.9
405	S	44.7	Very low	56.4	Low	121 Å²	121	128.9 Å²	128.9	85%	0.846	64%	0.642	S	S	*	*			trans	85.5	97.1	153.2	71.3	0	0	0	0	120.6
406	S	45.2	Very low	56.7	Low	64 Å²	64	129.4 Å²	129.4	45%	0.448	64%	0.637	S	S	.	*			trans	-166.2	100.6	132.2	-176.4	0	0	0	0	110.5	K408 I409 Q410	S406-K408 PolarHBondContact O-N 2.95Å; S406-K408 VanDerWaalsContact O-N 3.1Å; S406-I409 WeakPolarHBondContact O-CB 3.33Å; S406-I409 PolarHBondContact O-N 3.37Å; S406-Q410 PolarHBondContact O-N 3.23Å
407	E	52.5	Low	57.5	Low	170 Å²	170	131 Å²	131	79%	0.794	64%	0.642	S	S	*	*	H	α-helix	trans	-63.6	-19.4	-174.7	-64.1	168.5	130.8	0	0	113.6	Q410 Q411	E407-Q410 VanDerWaalsContact O-CB 3.28Å; E407-Q410 WeakPolarHBondContact O-CB 3.16Å; E407-Q410 PolarHBondContact O-N 2.97Å; E407-Q411 PolarHBondContact O-N 2.9Å
408	K	53.9	Low	58.5	Low	173 Å²	173	129.8 Å²	129.8	75%	0.752	64%	0.639	S	S	*	*	H	α-helix	trans	-74.5	-29.8	171.9	-71.5	-171.8	174	-175	0	113.3	S406 Y412	S406-K408 PolarHBondContact O-N 2.95Å; S406-K408 VanDerWaalsContact O-N 3.1Å; K408-Y412 WeakPolarHBondContact O-CB 3.11Å; K408-Y412 PolarHBondContact O-N 3.44Å; K408-Y412 VanDerWaalsContact O-N 3.09Å
409	I	59.4	Low	59.6	Low	101 Å²	101	127.6 Å²	127.6	52%	0.518	63%	0.627	S	S	.	*	H	α-helix	trans	-73.4	-34.9	170	-68.5	175.8	0	0	0	109.4	S406 Y412 N413	S406-I409 WeakPolarHBondContact O-CB 3.33Å; S406-I409 PolarHBondContact O-N 3.37Å; I409-Y412 PolarHBondContact O-N 3.32Å; I409-N413 WeakPolarHBondContact O-CB 3.36Å; I409-N413 PolarHBondContact O-N 3.23Å
410	Q	61.6	Low	60.8	Low	117 Å²	117	127.5 Å²	127.5	55%	0.547	62%	0.619	S	S	.	*	H	α-helix	trans	-55.9	-55.7	171.6	-157.6	81.3	21.2	0	0	111	S406 E407 Y412 N413 E414	S406-Q410 PolarHBondContact O-N 3.23Å; E407-Q410 VanDerWaalsContact O-CB 3.28Å; E407-Q410 WeakPolarHBondContact O-CB 3.16Å; E407-Q410 PolarHBondContact O-N 2.97Å; Q410-Y412 PolarHBondContact O-N 3.43Å; Q410-N413 PolarHBondContact O-N 2.85Å; Q410-E414 WeakPolarHBondContact CG-OE1 3.2Å; Q410-E414 WeakPolarHBondContact O-CB 3.49Å; Q410-E414 WeakPolarHBondContact O-CG 3.35Å; Q410-E414 PolarHBondContact O-N 2.89Å
411	Q	65.2	Low	62.3	Low	135 Å²	135	124.5 Å²	124.5	63%	0.631	61%	0.605	S	S	*	*	H	α-helix	trans	-63.8	-36.5	179.1	-72.3	-175.5	-25.7	0	0	113.8	E407 L415	E407-Q411 PolarHBondContact O-N 2.9Å; Q411-L415 WeakPolarHBondContact O-CB 3.5Å; Q411-L415 PolarHBondContact O-N 2.89Å
412	Y	65.8	Low	63.9	Low	150 Å²	150	122.3 Å²	122.3	59%	0.588	59%	0.59	S	S	*	*	H	α-helix	trans	-69	-38.2	175.6	-169.2	-93.8	0	0	0	111.8	K408 I409 Q410 L415 M416	K408-Y412 WeakPolarHBondContact O-CB 3.11Å; K408-Y412 PolarHBondContact O-N 3.44Å; K408-Y412 VanDerWaalsContact O-N 3.09Å; I409-Y412 PolarHBondContact O-N 3.32Å; Q410-Y412 PolarHBondContact O-N 3.43Å; Y412-L415 PolarHBondContact O-N 2.87Å; Y412-M416 HydrophobicContact CD1-CG 3.92Å; Y412-M416 HydrophobicContact CE1-CG 3.58Å; Y412-M416 HydrophobicContact CE1-SD 4.29Å; Y412-M416 VanDerWaalsContact O-CB 3.3Å; Y412-M416 WeakPolarHBondContact O-CB 3.31Å; Y412-M416 VanDerWaalsContact O-CG 3.31Å; Y412-M416 WeakPolarHBondContact O-CG 3.4Å; Y412-M416 PolarHBondContact O-N 3.19Å
413	N	67.7	Low	65.3	Low	80 Å²	80	117.1 Å²	117.1	43%	0.428	58%	0.576	S	S	.	*	H	α-helix	trans	-70.1	-38.3	175.6	-73.3	-6.2	0	0	0	112	I409 Q410 M416 Q417	I409-N413 WeakPolarHBondContact O-CB 3.36Å; I409-N413 PolarHBondContact O-N 3.23Å; Q410-N413 PolarHBondContact O-N 2.85Å; N413-M416 PolarHBondContact O-N 2.92Å; N413-Q417 VanDerWaalsContact O-CB 3.25Å; N413-Q417 WeakPolarHBondContact O-CB 3.46Å; N413-Q417 VanDerWaalsContact O-CG 3.24Å; N413-Q417 WeakPolarHBondContact O-CG 3.49Å; N413-Q417 PolarHBondContact O-N 2.91Å
414	E	75	Confident	67	Low	103 Å²	103	112.8 Å²	112.8	48%	0.481	56%	0.559	S	S	.	*	H	α-helix	trans	-64	-42.6	173.4	-74.6	165.8	-174.3	0	0	111.1	Q410 Q417 H418	Q410-E414 WeakPolarHBondContact CG-OE1 3.2Å; Q410-E414 WeakPolarHBondContact O-CB 3.49Å; Q410-E414 WeakPolarHBondContact O-CG 3.35Å; Q410-E414 PolarHBondContact O-N 2.89Å; E414-Q417 PolarHBondContact O-N 3.49Å; E414-H418 WeakPolarHBondContact O-CB 3.38Å; E414-H418 PolarHBondContact O-N 3.13Å
415	L	77.5	Confident	69	Low	100 Å²	100	109.3 Å²	109.3	52%	0.524	54%	0.543	S	S	.	.	H	α-helix	trans	-66.5	-38.6	174.8	-174.5	66.6	0	0	0	112.5	Q411 Y412 K419	Q411-L415 WeakPolarHBondContact O-CB 3.5Å; Q411-L415 PolarHBondContact O-N 2.89Å; Y412-L415 PolarHBondContact O-N 2.87Å; L415-K419 WeakPolarHBondContact O-CB 3.48Å; L415-K419 WeakPolarHBondContact O-CG 3.46Å; L415-K419 PolarHBondContact O-N 2.89Å
416	M	73.6	Confident	70.5	Confident	84 Å²	84	107.9 Å²	107.9	41%	0.414	52%	0.519	S	S	.	.	H	α-helix	trans	-67.5	-45.5	174	-82.2	-69.3	-64.8	0	0	111.7	Y412 N413 K419 V420	Y412-M416 HydrophobicContact CD1-CG 3.92Å; Y412-M416 HydrophobicContact CE1-CG 3.58Å; Y412-M416 HydrophobicContact CE1-SD 4.29Å; Y412-M416 VanDerWaalsContact O-CB 3.3Å; Y412-M416 WeakPolarHBondContact O-CB 3.31Å; Y412-M416 VanDerWaalsContact O-CG 3.31Å; Y412-M416 WeakPolarHBondContact O-CG 3.4Å; Y412-M416 PolarHBondContact O-N 3.19Å; N413-M416 PolarHBondContact O-N 2.92Å; M416-K419 CarbonylContact O-C 3.37Å; M416-K419 PolarHBondContact O-N 3.18Å; M416-V420 WeakPolarHBondContact O-CB 3.43Å; M416-V420 VanDerWaalsContact O-CG2 3.3Å; M416-V420 WeakPolarHBondContact O-CG2 3.47Å; M416-V420 PolarHBondContact O-N 2.88Å
417	Q	77.3	Confident	72.1	Confident	129 Å²	129	109.8 Å²	109.8	60%	0.603	52%	0.523	S	S	*	.	H	α-helix	trans	-61	-46.7	176.6	-79.3	175.4	-17.4	0	0	110.7	N413 E414 K419 V420 T421	N413-Q417 VanDerWaalsContact O-CB 3.25Å; N413-Q417 WeakPolarHBondContact O-CB 3.46Å; N413-Q417 VanDerWaalsContact O-CG 3.24Å; N413-Q417 WeakPolarHBondContact O-CG 3.49Å; N413-Q417 PolarHBondContact O-N 2.91Å; E414-Q417 PolarHBondContact O-N 3.49Å; Q417-K419 VanDerWaalsContact C-N 3.3Å; Q417-K419 PolarHBondContact O-N 2.84Å; Q417-V420 PolarHBondContact O-N 3.31Å; Q417-V420 VanDerWaalsContact O-N 3.08Å; Q417-T421 PolarHBondContact O-N 3.42Å; Q417-T421 PolarHBondContact O-OG1 2.85Å
418	H	79.6	Confident	73.3	Confident	131 Å²	131	108.9 Å²	108.9	61%	0.606	52%	0.519	S	S	*	.	H	α-helix	trans	-61.8	-38.6	176.8	-168.3	43.7	0	0	0	111.9	E414 L422	E414-H418 WeakPolarHBondContact O-CB 3.38Å; E414-H418 PolarHBondContact O-N 3.13Å; H418-L422 WeakPolarHBondContact O-CB 3.31Å; H418-L422 PolarHBondContact O-N 3.48Å
419	K	78.9	Confident	74.5	Confident	124 Å²	124	104.6 Å²	104.6	54%	0.539	50%	0.501	S	S	.	.	H	α-helix	trans	-66.6	-35.6	171.5	-80.5	-174.6	173.8	-171.6	0	113.9	L415 M416 Q417 L423	L415-K419 WeakPolarHBondContact O-CB 3.48Å; L415-K419 WeakPolarHBondContact O-CG 3.46Å; L415-K419 PolarHBondContact O-N 2.89Å; M416-K419 CarbonylContact O-C 3.37Å; M416-K419 PolarHBondContact O-N 3.18Å; Q417-K419 VanDerWaalsContact C-N 3.3Å; Q417-K419 PolarHBondContact O-N 2.84Å; K419-L423 WeakPolarHBondContact O-CB 3.48Å; K419-L423 VanDerWaalsContact O-CG 3.3Å; K419-L423 WeakPolarHBondContact O-CG 3.4Å; K419-L423 PolarHBondContact O-N 2.71Å
420	V	76.9	Confident	75.1	Confident	62 Å²	62	100.4 Å²	100.4	38%	0.376	48%	0.48	S	S	.	.	H	α-helix	trans	-68.8	-50	176.9	166.7	0	0	0	0	109.8	M416 Q417 L422 L423 E424	M416-V420 WeakPolarHBondContact O-CB 3.43Å; M416-V420 VanDerWaalsContact O-CG2 3.3Å; M416-V420 WeakPolarHBondContact O-CG2 3.47Å; M416-V420 PolarHBondContact O-N 2.88Å; Q417-V420 PolarHBondContact O-N 3.31Å; Q417-V420 VanDerWaalsContact O-N 3.08Å; V420-L422 VanDerWaalsContact C-N 3.28Å; V420-L422 PolarHBondContact O-N 2.92Å; V420-L423 CarbonylContact O-C 3.58Å; V420-L423 WeakPolarHBondContact O-CA 3.42Å; V420-L423 WeakPolarHBondContact O-CB 3.48Å; V420-L423 PolarHBondContact O-N 3.4Å; V420-E424 HydrophobicContact CG1-CG 4.24Å; V420-E424 WeakPolarHBondContact O-CG 3.36Å; V420-E424 PolarHBondContact O-N 3.14Å
421	T	80.3	Confident	75.8	Confident	64 Å²	64	98.6 Å²	98.6	39%	0.393	47%	0.474	S	S	.	.	H	α-helix	trans	-59.4	-38.3	174.9	-53.7	0	0	0	0	112.1	Q417 L423 E424 E425	Q417-T421 PolarHBondContact O-N 3.42Å; Q417-T421 PolarHBondContact O-OG1 2.85Å; T421-L423 VanDerWaalsContact C-N 3.26Å; T421-L423 PolarHBondContact O-N 3.4Å; T421-E424 WeakPolarHBondContact CA-OE2 3.46Å; T421-E424 PolarHBondContact O-N 3.28Å; T421-E425 PolarHBondContact O-N 3.23Å
422	L	79.6	Confident	76.4	Confident	67 Å²	67	95 Å²	95	35%	0.351	47%	0.468	S	S	.	.	H	α-helix	trans	-68.3	-22.8	175	-169.3	71.3	0	0	0	113.5	M111 H418 V420	M111-L422 HydrophobicContact CE-CD1 3.35Å; M111-L422 HydrophobicContact CE-CD2 4.01Å; M111-L422 HydrophobicContact CE-CG 3.37Å; H418-L422 WeakPolarHBondContact O-CB 3.31Å; H418-L422 PolarHBondContact O-N 3.48Å; V420-L422 VanDerWaalsContact C-N 3.28Å; V420-L422 PolarHBondContact O-N 2.92Å
423	L	74.8	Confident	76.9	Confident	109 Å²	109	91.2 Å²	91.2	57%	0.571	46%	0.455	S	S	*	.	H	α-helix	trans	-86.1	-33.6	170.6	-76	166.7	0	0	0	111.9	K419 V420 T421 R426 L427	K419-L423 WeakPolarHBondContact O-CB 3.48Å; K419-L423 VanDerWaalsContact O-CG 3.3Å; K419-L423 WeakPolarHBondContact O-CG 3.4Å; K419-L423 PolarHBondContact O-N 2.71Å; V420-L423 CarbonylContact O-C 3.58Å; V420-L423 WeakPolarHBondContact O-CA 3.42Å; V420-L423 WeakPolarHBondContact O-CB 3.48Å; V420-L423 PolarHBondContact O-N 3.4Å; T421-L423 VanDerWaalsContact C-N 3.26Å; T421-L423 PolarHBondContact O-N 3.4Å; L423-R426 WeakPolarHBondContact O-CB 3.34Å; L423-R426 PolarHBondContact O-N 2.9Å; L423-L427 WeakPolarHBondContact O-CB 3.45Å; L423-L427 PolarHBondContact O-N 3.31Å
424	E	78	Confident	77.1	Confident	107 Å²	107	88.4 Å²	88.4	50%	0.5	44%	0.44	S	S	.	.	H	α-helix	trans	-66.7	-45.6	174.1	-70.1	167.1	151.1	0	0	110.8	V420 T421 R426 L427 E428	V420-E424 HydrophobicContact CG1-CG 4.24Å; V420-E424 WeakPolarHBondContact O-CG 3.36Å; V420-E424 PolarHBondContact O-N 3.14Å; T421-E424 WeakPolarHBondContact CA-OE2 3.46Å; T421-E424 PolarHBondContact O-N 3.28Å; E424-R426 VanDerWaalsContact C-N 3.28Å; E424-R426 PolarHBondContact O-N 2.82Å; E424-L427 CarbonylContact O-C 3.51Å; E424-L427 PolarHBondContact O-N 3Å; E424-L427 VanDerWaalsContact O-N 3.09Å; E424-E428 PolarHBondContact O-N 3.29Å
425	E	80.8	Confident	77.1	Confident	104 Å²	104	90.6 Å²	90.6	49%	0.486	45%	0.448	S	S	.	.	H	α-helix	trans	-62	-34.9	171.9	-74.2	-173.1	172.1	0	0	112.5	T421 K429	T421-E425 PolarHBondContact O-N 3.23Å; E425-K429 PolarHBondContact O-N 2.96Å
426	R	77.9	Confident	76.9	Confident	92 Å²	92	88.9 Å²	88.9	35%	0.347	45%	0.445	S	S	.	.	H	α-helix	trans	-62.6	-46.7	170.9	-99.5	-175.8	158.2	125.3	3.6	111.1	D110 M111 L423 E424 S430	D110-R426 WeakPolarHBondContact OD1-CD 3.49Å; D110-R426 WeakPolarHBondContact OD1-CG 3.42Å; D110-R426 IonicContact OD1-CZ 2.67Å; D110-R426 IonicContact OD1-NE 3.21Å; D110-R426 PolarHBondContact OD1-NE 3.49Å; D110-R426 IonicContact OD1-NH2 2.79Å; D110-R426 IonicContact OD2-CZ 2.71Å; D110-R426 IonicContact OD2-NE 2.63Å; D110-R426 PolarHBondContact OD2-NE 3.07Å; D110-R426 IonicContact OD2-NH2 3.71Å; D110-R426 PolarHBondContact OD2-NH2 3.36Å; M111-R426 HydrophobicContact CE-CG 3.85Å; M111-R426 VanDerWaalsContact CE-NH1 3.27Å; M111-R426 HydrophobicContact CG-CG 3.54Å; M111-R426 HydrophobicContact SD-CG 4.29Å; M111-R426 PolarHBondContact SD-NH2 3.32Å; L423-R426 WeakPolarHBondContact O-CB 3.34Å; L423-R426 PolarHBondContact O-N 2.9Å; E424-R426 VanDerWaalsContact C-N 3.28Å; E424-R426 PolarHBondContact O-N 2.82Å; R426-S430 WeakPolarHBondContact O-CB 3.49Å; R426-S430 PolarHBondContact O-N 3.23Å
427	L	77	Confident	76.7	Confident	104 Å²	104	90.4 Å²	90.4	55%	0.545	45%	0.447	S	S	.	.	H	α-helix	trans	-70.4	-41.6	-176.6	-165.4	69.4	0	0	0	112	L423 E424 K429 S430 D431	L423-L427 WeakPolarHBondContact O-CB 3.45Å; L423-L427 PolarHBondContact O-N 3.31Å; E424-L427 CarbonylContact O-C 3.51Å; E424-L427 PolarHBondContact O-N 3Å; E424-L427 VanDerWaalsContact O-N 3.09Å; L427-K429 VanDerWaalsContact C-N 3.35Å; L427-K429 PolarHBondContact O-N 3Å; L427-S430 CarbonylContact O-C 3.46Å; L427-S430 WeakPolarHBondContact O-CA 3.48Å; L427-S430 WeakPolarHBondContact O-CB 3.42Å; L427-S430 PolarHBondContact O-N 2.88Å; L427-S430 VanDerWaalsContact O-N 3.12Å; L427-D431 PolarHBondContact O-N 3.16Å
428	E	78.6	Confident	76.4	Confident	151 Å²	151	85.9 Å²	85.9	71%	0.706	43%	0.428	S	S	*	.	H	α-helix	trans	-62.1	-40.3	174.7	-78.5	-161	139.4	0	0	112	E424 S430 D431 A432	E424-E428 PolarHBondContact O-N 3.29Å; E428-S430 VanDerWaalsContact C-N 3.34Å; E428-D431 PolarHBondContact O-N 3.35Å; E428-A432 WeakPolarHBondContact O-CB 3.39Å; E428-A432 PolarHBondContact O-N 3.02Å
429	K	78.2	Confident	76.1	Confident	83 Å²	83	84.7 Å²	84.7	36%	0.361	42%	0.423	S	S	.	.	H	α-helix	trans	-69.3	-35.2	173.7	-155.3	-167.2	-177.1	179.8	0	111.7	D110 M111 E425 L427 A432 E433	D110-K429 VanDerWaalsContact O-CD 3.28Å; D110-K429 WeakPolarHBondContact O-CD 3.26Å; D110-K429 PolarHBondContact O-NZ 2.83Å; M111-K429 PolarHBondContact O-NZ 3.23Å; E425-K429 PolarHBondContact O-N 2.96Å; L427-K429 VanDerWaalsContact C-N 3.35Å; L427-K429 PolarHBondContact O-N 3Å; K429-A432 PolarHBondContact O-N 3.36Å; K429-E433 PolarHBondContact O-N 3.28Å
430	S	73.3	Confident	75.9	Confident	13 Å²	13	83.4 Å²	83.4	9%	0.091	42%	0.421	C	S	.	.	H	α-helix	trans	-54.8	-52.5	170.6	-141.7	0	0	0	0	111.1	G107 S108 I109 R426 L427 E428 A432 E433 I434	G107-S430 VanDerWaalsContact C-OG 3.27Å; G107-S430 PolarHBondContact O-OG 3.47Å; S108-S430 PolarHBondContact N-OG 2.86Å; I109-S430 PolarHBondContact N-OG 3.3Å; R426-S430 WeakPolarHBondContact O-CB 3.49Å; R426-S430 PolarHBondContact O-N 3.23Å; L427-S430 CarbonylContact O-C 3.46Å; L427-S430 WeakPolarHBondContact O-CA 3.48Å; L427-S430 WeakPolarHBondContact O-CB 3.42Å; L427-S430 PolarHBondContact O-N 2.88Å; L427-S430 VanDerWaalsContact O-N 3.12Å; E428-S430 VanDerWaalsContact C-N 3.34Å; S430-A432 VanDerWaalsContact C-N 3.34Å; S430-A432 PolarHBondContact O-N 3.18Å; S430-E433 PolarHBondContact O-N 3.09Å; S430-I434 VanDerWaalsContact O-CG1 3.22Å; S430-I434 WeakPolarHBondContact O-CG1 3.26Å; S430-I434 PolarHBondContact O-N 2.92Å
431	D	76.4	Confident	75.5	Confident	79 Å²	79	86.5 Å²	86.5	42%	0.422	43%	0.427	S	S	.	.	H	α-helix	trans	-65.7	-33.7	178.2	-72.7	-7.2	0	0	0	112.3	L427 E428 I434 F435	L427-D431 PolarHBondContact O-N 3.16Å; E428-D431 PolarHBondContact O-N 3.35Å; D431-I434 WeakPolarHBondContact OD1-CD1 3.37Å; D431-F435 WeakPolarHBondContact O-CB 3.37Å; D431-F435 WeakPolarHBondContact O-CD2 3.4Å; D431-F435 PolarHBondContact O-N 2.87Å
432	A	77.7	Confident	75.2	Confident	59 Å²	59	89.5 Å²	89.5	49%	0.488	44%	0.437	S	S	.	.	H	α-helix	trans	-66.9	-43.4	173.2	0	0	0	0	0	112.8	E428 K429 S430 F435 S436	E428-A432 WeakPolarHBondContact O-CB 3.39Å; E428-A432 PolarHBondContact O-N 3.02Å; K429-A432 PolarHBondContact O-N 3.36Å; S430-A432 VanDerWaalsContact C-N 3.34Å; S430-A432 PolarHBondContact O-N 3.18Å; A432-F435 PolarHBondContact O-N 3.44Å; A432-S436 WeakPolarHBondContact O-CB 3.39Å; A432-S436 PolarHBondContact O-N 3.33Å
433	E	75.7	Confident	75	Confident	70 Å²	70	90.9 Å²	90.9	33%	0.327	44%	0.441	S	S	.	.	H	α-helix	trans	-67.9	-40.2	173.9	-69.3	-149.8	-170.7	0	0	111.4	S108 K429 S430 F435 S436 Y437	S108-E433 WeakPolarHBondContact O-CB 3.4Å; K429-E433 PolarHBondContact O-N 3.28Å; S430-E433 PolarHBondContact O-N 3.09Å; E433-F435 PolarHBondContact O-N 3.33Å; E433-S436 WeakPolarHBondContact O-CB 3.41Å; E433-S436 PolarHBondContact O-N 2.94Å; E433-Y437 HydrophobicContact CB-CE2 4.46Å; E433-Y437 WeakPolarHBondContact O-CD2 3.43Å; E433-Y437 PolarHBondContact O-N 2.93Å
434	I	71.8	Confident	74.9	Confident	21 Å²	21	88.8 Å²	88.8	11%	0.108	44%	0.436	C	S	.	.	H	α-helix	trans	-52	-54.8	170.2	-69.1	162	0	0	0	110.4	H106 G107 S430 D431 S436 Y437 V438	H106-I434 HydrophobicContact CB-CB 4.44Å; H106-I434 HydrophobicContact CB-CG1 3.88Å; H106-I434 HydrophobicContact CB-CG2 4.1Å; H106-I434 WeakPolarHBondContact O-CD1 3.43Å; G107-I434 VanDerWaalsContact CA-CG1 3.43Å; G107-I434 VanDerWaalsContact N-CD1 3.27Å; G107-I434 VanDerWaalsContact N-CG1 3.31Å; G107-I434 WeakPolarHBondContact O-CD1 3.4Å; S430-I434 VanDerWaalsContact O-CG1 3.22Å; S430-I434 WeakPolarHBondContact O-CG1 3.26Å; S430-I434 PolarHBondContact O-N 2.92Å; D431-I434 WeakPolarHBondContact OD1-CD1 3.37Å; I434-S436 VanDerWaalsContact C-N 3.28Å; I434-S436 PolarHBondContact O-N 3.45Å; I434-Y437 PolarHBondContact O-N 3.33Å; I434-V438 HydrophobicContact CG2-CG2 4.01Å; I434-V438 WeakPolarHBondContact O-CB 3.25Å; I434-V438 VanDerWaalsContact O-CG2 3.31Å; I434-V438 WeakPolarHBondContact O-CG2 3.4Å; I434-V438 PolarHBondContact O-N 2.75Å
435	F	74.8	Confident	74.6	Confident	149 Å²	149	88 Å²	88	65%	0.654	43%	0.434	S	S	*	.	H	α-helix	trans	-63.3	-35.9	-177.2	-99.6	-85.6	0	0	0	111.8	D431 A432 E433 Q439	D431-F435 WeakPolarHBondContact O-CB 3.37Å; D431-F435 WeakPolarHBondContact O-CD2 3.4Å; D431-F435 PolarHBondContact O-N 2.87Å; A432-F435 PolarHBondContact O-N 3.44Å; E433-F435 PolarHBondContact O-N 3.33Å; F435-Q439 WeakPolarHBondContact O-CB 3.38Å; F435-Q439 PolarHBondContact O-N 3.14Å
436	S	74.7	Confident	74.4	Confident	65 Å²	65	88.5 Å²	88.5	46%	0.455	43%	0.434	S	S	.	.	H	α-helix	trans	-60.5	-50.6	172.6	-173.1	0	0	0	0	112.1	A432 E433 I434 Q439 L440	A432-S436 WeakPolarHBondContact O-CB 3.39Å; A432-S436 PolarHBondContact O-N 3.33Å; E433-S436 WeakPolarHBondContact O-CB 3.41Å; E433-S436 PolarHBondContact O-N 2.94Å; I434-S436 VanDerWaalsContact C-N 3.28Å; I434-S436 PolarHBondContact O-N 3.45Å; S436-Q439 PolarHBondContact O-N 3.09Å; S436-L440 WeakPolarHBondContact O-CB 3.43Å; S436-L440 WeakPolarHBondContact O-CG 3.47Å; S436-L440 PolarHBondContact O-N 2.89Å
437	Y	68.5	Low	74.2	Confident	115 Å²	115	90.3 Å²	90.3	45%	0.451	45%	0.447	S	S	.	.	H	α-helix	trans	-66.5	-41.4	178	-73.8	-66.3	0	0	0	112.7	E433 I434 L440 Y441	E433-Y437 HydrophobicContact CB-CE2 4.46Å; E433-Y437 WeakPolarHBondContact O-CD2 3.43Å; E433-Y437 PolarHBondContact O-N 2.93Å; I434-Y437 PolarHBondContact O-N 3.33Å; Y437-L440 PolarHBondContact O-N 3.16Å; Y437-Y441 WeakPolarHBondContact O-CB 3.28Å; Y437-Y441 WeakPolarHBondContact O-CD2 3.3Å; Y437-Y441 PolarHBondContact O-N 3.02Å
438	V	70.7	Confident	74.1	Confident	35 Å²	35	91.6 Å²	91.6	21%	0.212	45%	0.448	C	S	.	.	H	α-helix	trans	-64.8	-39.5	176.9	171.3	0	0	0	0	111	I105 I434 Y441 Q442	I105-V438 HydrophobicContact CG2-CG2 4.23Å; I434-V438 HydrophobicContact CG2-CG2 4.01Å; I434-V438 WeakPolarHBondContact O-CB 3.25Å; I434-V438 VanDerWaalsContact O-CG2 3.31Å; I434-V438 WeakPolarHBondContact O-CG2 3.4Å; I434-V438 PolarHBondContact O-N 2.75Å; V438-Y441 PolarHBondContact O-N 3.4Å; V438-Q442 WeakPolarHBondContact O-CB 3.3Å; V438-Q442 WeakPolarHBondContact O-CG 3.21Å; V438-Q442 PolarHBondContact O-N 2.89Å
439	Q	74.4	Confident	73.7	Confident	106 Å²	106	90 Å²	90	50%	0.495	44%	0.441	S	S	.	.	H	α-helix	trans	-68.1	-42.7	175.7	-174.5	173	-17.2	0	0	111.4	F435 S436 Y441 Q442 E443	F435-Q439 WeakPolarHBondContact O-CB 3.38Å; F435-Q439 PolarHBondContact O-N 3.14Å; S436-Q439 PolarHBondContact O-N 3.09Å; Q439-Y441 VanDerWaalsContact C-N 3.32Å; Q439-Y441 PolarHBondContact O-N 3.19Å; Q439-Q442 PolarHBondContact O-N 3.13Å; Q439-Q442 VanDerWaalsContact O-N 3.15Å; Q439-E443 HydrophobicContact CG-CG 4.49Å; Q439-E443 PolarHBondContact NE2-OE1 3.17Å; Q439-E443 WeakPolarHBondContact O-CB 3.24Å; Q439-E443 WeakPolarHBondContact O-CG 3.18Å; Q439-E443 PolarHBondContact O-N 2.91Å
440	L	74.7	Confident	73.6	Confident	96 Å²	96	91.4 Å²	91.4	50%	0.503	45%	0.449	S	S	.	.	H	α-helix	trans	-60.1	-39.4	172.4	-76.2	167.7	0	0	0	112.2	S436 Y437 S444	S436-L440 WeakPolarHBondContact O-CB 3.43Å; S436-L440 WeakPolarHBondContact O-CG 3.47Å; S436-L440 PolarHBondContact O-N 2.89Å; Y437-L440 PolarHBondContact O-N 3.16Å; L440-S444 WeakPolarHBondContact O-CB 3.49Å; L440-S444 PolarHBondContact O-N 2.97Å
441	Y	66.8	Low	73.5	Confident	127 Å²	127	94.3 Å²	94.3	50%	0.498	47%	0.466	S	S	.	.	H	α-helix	trans	-68.2	-37.6	173	-84.7	-62.6	0	0	0	112.5	Y437 V438 Q439 S444 I445	Y437-Y441 WeakPolarHBondContact O-CB 3.28Å; Y437-Y441 WeakPolarHBondContact O-CD2 3.3Å; Y437-Y441 PolarHBondContact O-N 3.02Å; V438-Y441 PolarHBondContact O-N 3.4Å; Q439-Y441 VanDerWaalsContact C-N 3.32Å; Q439-Y441 PolarHBondContact O-N 3.19Å; Y441-S444 PolarHBondContact O-N 2.86Å; Y441-I445 VanDerWaalsContact O-CB 3.27Å; Y441-I445 WeakPolarHBondContact O-CB 3.32Å; Y441-I445 WeakPolarHBondContact O-CD1 3.43Å; Y441-I445 WeakPolarHBondContact O-CG1 3.42Å; Y441-I445 PolarHBondContact O-N 2.7Å
442	Q	74.4	Confident	73.1	Confident	128 Å²	128	94 Å²	94	60%	0.598	46%	0.464	S	S	*	.	H	α-helix	trans	-67.8	-40.9	175.1	-75.8	178.9	12.1	0	0	112	V438 Q439 I445 K446	V438-Q442 WeakPolarHBondContact O-CB 3.3Å; V438-Q442 WeakPolarHBondContact O-CG 3.21Å; V438-Q442 PolarHBondContact O-N 2.89Å; Q439-Q442 PolarHBondContact O-N 3.13Å; Q439-Q442 VanDerWaalsContact O-N 3.15Å; Q442-I445 PolarHBondContact O-N 3.47Å; Q442-K446 WeakPolarHBondContact O-CB 3.4Å; Q442-K446 PolarHBondContact O-N 2.74Å
443	E	76.6	Confident	72.9	Confident	96 Å²	96	95.5 Å²	95.5	45%	0.449	46%	0.461	S	S	.	.	H	α-helix	trans	-65.2	-44.5	173.8	-73.4	174.8	-170.9	0	0	110.5	Q439 I445 K446 E447	Q439-E443 HydrophobicContact CG-CG 4.49Å; Q439-E443 PolarHBondContact NE2-OE1 3.17Å; Q439-E443 WeakPolarHBondContact O-CB 3.24Å; Q439-E443 WeakPolarHBondContact O-CG 3.18Å; Q439-E443 PolarHBondContact O-N 2.91Å; E443-I445 PolarHBondContact O-N 3.09Å; E443-K446 CarbonylContact O-C 3.53Å; E443-K446 PolarHBondContact O-N 3.38Å; E443-E447 WeakPolarHBondContact O-CB 3.43Å; E443-E447 WeakPolarHBondContact O-CG 3.2Å; E443-E447 PolarHBondContact O-N 2.63Å
444	S	71.3	Confident	72.7	Confident	65 Å²	65	95.5 Å²	95.5	46%	0.455	47%	0.468	S	S	.	.	H	α-helix	trans	-65	-38.1	175	-174.3	0	0	0	0	113.4	L440 Y441 K446 F448	L440-S444 WeakPolarHBondContact O-CB 3.49Å; L440-S444 PolarHBondContact O-N 2.97Å; Y441-S444 PolarHBondContact O-N 2.86Å; S444-K446 VanDerWaalsContact C-N 3.34Å; S444-F448 VanDerWaalsContact O-CB 3.23Å; S444-F448 WeakPolarHBondContact O-CB 3.34Å; S444-F448 PolarHBondContact O-N 3.09Å
445	I	72.6	Confident	72.3	Confident	91 Å²	91	98.7 Å²	98.7	47%	0.467	49%	0.486	S	S	.	.	H	α-helix	trans	-67.3	-36.7	173	-73.2	165.1	0	0	0	110.6	Y441 Q442 E443 F448 Q449	Y441-I445 VanDerWaalsContact O-CB 3.27Å; Y441-I445 WeakPolarHBondContact O-CB 3.32Å; Y441-I445 WeakPolarHBondContact O-CD1 3.43Å; Y441-I445 WeakPolarHBondContact O-CG1 3.42Å; Y441-I445 PolarHBondContact O-N 2.7Å; Q442-I445 PolarHBondContact O-N 3.47Å; E443-I445 PolarHBondContact O-N 3.09Å; I445-F448 PolarHBondContact O-N 3Å; I445-Q449 HydrophobicContact CG2-CG 4.49Å; I445-Q449 WeakPolarHBondContact O-CB 3.42Å; I445-Q449 VanDerWaalsContact O-CG 3.29Å; I445-Q449 WeakPolarHBondContact O-CG 3.48Å; I445-Q449 PolarHBondContact O-N 2.84Å
446	K	76.2	Confident	71.9	Confident	113 Å²	113	95.9 Å²	95.9	49%	0.491	47%	0.473	S	S	.	.	H	α-helix	trans	-70.4	-44	176.5	-177.4	176.2	173	-64	0	111.5	Q442 E443 S444 F448 Q449 E450	Q442-K446 WeakPolarHBondContact O-CB 3.4Å; Q442-K446 PolarHBondContact O-N 2.74Å; E443-K446 CarbonylContact O-C 3.53Å; E443-K446 PolarHBondContact O-N 3.38Å; S444-K446 VanDerWaalsContact C-N 3.34Å; K446-F448 VanDerWaalsContact C-N 3.31Å; K446-F448 PolarHBondContact O-N 2.84Å; K446-Q449 PolarHBondContact O-N 3.29Å; K446-E450 WeakPolarHBondContact CE-OE1 3.16Å; K446-E450 IonicContact NZ-OE1 3.33Å; K446-E450 PolarHBondContact NZ-OE1 3.33Å; K446-E450 IonicContact NZ-OE2 3.69Å; K446-E450 WeakPolarHBondContact O-CB 3.43Å; K446-E450 WeakPolarHBondContact O-CG 3.43Å; K446-E450 PolarHBondContact O-N 2.99Å
447	E	74.7	Confident	71.5	Confident	130 Å²	130	97 Å²	97	61%	0.607	47%	0.471	S	S	*	.	H	α-helix	trans	-59.9	-41.6	170	-75.4	-170.1	150.8	0	0	111.1	E443 E450 T451	E443-E447 WeakPolarHBondContact O-CB 3.43Å; E443-E447 WeakPolarHBondContact O-CG 3.2Å; E443-E447 PolarHBondContact O-N 2.63Å; E447-E450 PolarHBondContact O-N 3.3Å; E447-T451 WeakPolarHBondContact O-CB 3.27Å; E447-T451 PolarHBondContact O-N 2.75Å; E447-T451 PolarHBondContact O-OG1 3.43Å
448	F	73	Confident	71	Confident	131 Å²	131	95.2 Å²	95.2	58%	0.575	47%	0.467	S	S	*	.	H	α-helix	trans	-65.3	-40	175.2	-179.3	-97.6	0	0	0	111.9	S444 I445 K446 T451 L452	S444-F448 VanDerWaalsContact O-CB 3.23Å; S444-F448 WeakPolarHBondContact O-CB 3.34Å; S444-F448 PolarHBondContact O-N 3.09Å; I445-F448 PolarHBondContact O-N 3Å; K446-F448 VanDerWaalsContact C-N 3.31Å; K446-F448 PolarHBondContact O-N 2.84Å; F448-T451 CarbonylContact O-C 3.58Å; F448-T451 PolarHBondContact O-N 3.3Å; F448-L452 HydrophobicContact CE1-CD2 4.37Å; F448-L452 HydrophobicContact CZ-CD1 4.4Å; F448-L452 WeakPolarHBondContact O-CB 3.33Å; F448-L452 PolarHBondContact O-N 2.89Å
449	Q	72	Confident	70	Confident	119 Å²	119	96.8 Å²	96.8	56%	0.556	48%	0.479	S	S	*	.	H	α-helix	trans	-69.9	-40.1	175.9	-77.3	178.7	1	0	0	112.5	I445 K446 T451 L452 E453	I445-Q449 HydrophobicContact CG2-CG 4.49Å; I445-Q449 WeakPolarHBondContact O-CB 3.42Å; I445-Q449 VanDerWaalsContact O-CG 3.29Å; I445-Q449 WeakPolarHBondContact O-CG 3.48Å; I445-Q449 PolarHBondContact O-N 2.84Å; K446-Q449 PolarHBondContact O-N 3.29Å; Q449-T451 VanDerWaalsContact C-N 3.33Å; Q449-L452 PolarHBondContact O-N 3.03Å; Q449-E453 PolarHBondContact O-N 3.3Å
450	E	75.9	Confident	69	Low	111 Å²	111	96.4 Å²	96.4	52%	0.519	48%	0.476	S	S	.	.	H	α-helix	trans	-66.1	-37.2	172.4	-74.7	175.4	-166.3	0	0	110.9	K446 E447 S454	K446-E450 WeakPolarHBondContact CE-OE1 3.16Å; K446-E450 IonicContact NZ-OE1 3.33Å; K446-E450 PolarHBondContact NZ-OE1 3.33Å; K446-E450 IonicContact NZ-OE2 3.69Å; K446-E450 WeakPolarHBondContact O-CB 3.43Å; K446-E450 WeakPolarHBondContact O-CG 3.43Å; K446-E450 PolarHBondContact O-N 2.99Å; E447-E450 PolarHBondContact O-N 3.3Å; E450-S454 WeakPolarHBondContact O-CA 3.49Å; E450-S454 WeakPolarHBondContact O-CB 3.14Å; E450-S454 PolarHBondContact O-N 2.97Å
451	T	70.6	Confident	67.9	Low	75 Å²	75	97.8 Å²	97.8	46%	0.46	48%	0.478	S	S	.	.	H	α-helix	trans	-69.3	-33.4	171.3	-57.7	0	0	0	0	111.8	E447 F448 Q449 L455	E447-T451 WeakPolarHBondContact O-CB 3.27Å; E447-T451 PolarHBondContact O-N 2.75Å; E447-T451 PolarHBondContact O-OG1 3.43Å; F448-T451 CarbonylContact O-C 3.58Å; F448-T451 PolarHBondContact O-N 3.3Å; Q449-T451 VanDerWaalsContact C-N 3.33Å; T451-L455 HydrophobicContact CG2-CD1 3.97Å; T451-L455 HydrophobicContact CG2-CG 4.37Å; T451-L455 WeakPolarHBondContact O-CB 3.12Å; T451-L455 WeakPolarHBondContact O-CG 3.43Å; T451-L455 PolarHBondContact O-N 3.48Å
452	L	68.3	Low	66.9	Low	71 Å²	71	97.3 Å²	97.3	37%	0.372	48%	0.478	S	S	.	.	H	α-helix	trans	-77.6	-38.3	179.2	-170	76.6	0	0	0	112.1	F448 Q449 L455 K456	F448-L452 HydrophobicContact CE1-CD2 4.37Å; F448-L452 HydrophobicContact CZ-CD1 4.4Å; F448-L452 WeakPolarHBondContact O-CB 3.33Å; F448-L452 PolarHBondContact O-N 2.89Å; Q449-L452 PolarHBondContact O-N 3.03Å; L452-L455 CarbonylContact O-C 3.58Å; L452-L455 PolarHBondContact O-N 3.18Å; L452-K456 WeakPolarHBondContact O-CB 3.27Å; L452-K456 VanDerWaalsContact O-CG 3.3Å; L452-K456 WeakPolarHBondContact O-CG 3.29Å; L452-K456 PolarHBondContact O-N 2.83Å
453	E	72.2	Confident	65.6	Low	91 Å²	91	93.4 Å²	93.4	43%	0.425	47%	0.465	S	S	.	.	H	α-helix	trans	-73.6	-34.4	170.1	-73.5	-59	149.1	0	0	111.3	Q449 K456 E457	Q449-E453 PolarHBondContact O-N 3.3Å; E453-K456 VanDerWaalsContact CD-CD 3.42Å; E453-K456 PolarHBondContact O-N 3.33Å; E453-K456 WeakPolarHBondContact OE1-CD 3.36Å; E453-K456 WeakPolarHBondContact OE1-CE 3.35Å; E453-K456 IonicContact OE1-NZ 2.7Å; E453-K456 PolarHBondContact OE1-NZ 2.85Å; E453-K456 WeakPolarHBondContact OE2-CD 3.49Å; E453-E457 PolarHBondContact O-N 3.06Å
454	S	73	Confident	64.1	Low	70 Å²	70	95.1 Å²	95.1	49%	0.49	47%	0.468	S	S	.	.	H	α-helix	trans	-59	-48.6	166.8	-175.8	0	0	0	0	110.7	E450 K456 E457 E458	E450-S454 WeakPolarHBondContact O-CA 3.49Å; E450-S454 WeakPolarHBondContact O-CB 3.14Å; E450-S454 PolarHBondContact O-N 2.97Å; S454-K456 VanDerWaalsContact C-N 3.33Å; S454-K456 PolarHBondContact O-N 3.15Å; S454-E457 CarbonylContact O-C 3.57Å; S454-E457 PolarHBondContact O-N 3.45Å; S454-E458 WeakPolarHBondContact O-CB 3.38Å; S454-E458 PolarHBondContact O-N 2.7Å
455	L	62.6	Low	62.9	Low	89 Å²	89	97 Å²	97	47%	0.466	47%	0.473	S	S	.	.	H	α-helix	trans	-69.5	-23.1	175.8	-77.3	169.9	0	0	0	113.4	T451 L452 S459	T451-L455 HydrophobicContact CG2-CD1 3.97Å; T451-L455 HydrophobicContact CG2-CG 4.37Å; T451-L455 WeakPolarHBondContact O-CB 3.12Å; T451-L455 WeakPolarHBondContact O-CG 3.43Å; T451-L455 PolarHBondContact O-N 3.48Å; L452-L455 CarbonylContact O-C 3.58Å; L452-L455 PolarHBondContact O-N 3.18Å; L455-S459 WeakPolarHBondContact O-CA 3.24Å; L455-S459 WeakPolarHBondContact O-CB 3.1Å; L455-S459 PolarHBondContact O-N 2.76Å
456	K	65.8	Low	61.9	Low	90 Å²	90	97.3 Å²	97.3	39%	0.391	47%	0.472	S	S	.	.	H	α-helix	trans	-75.3	-41.7	169.1	-84.2	163.5	166.4	169	0	111.5	L452 E453 S454 E458 S459 K460	L452-K456 WeakPolarHBondContact O-CB 3.27Å; L452-K456 VanDerWaalsContact O-CG 3.3Å; L452-K456 WeakPolarHBondContact O-CG 3.29Å; L452-K456 PolarHBondContact O-N 2.83Å; E453-K456 VanDerWaalsContact CD-CD 3.42Å; E453-K456 PolarHBondContact O-N 3.33Å; E453-K456 WeakPolarHBondContact OE1-CD 3.36Å; E453-K456 WeakPolarHBondContact OE1-CE 3.35Å; E453-K456 IonicContact OE1-NZ 2.7Å; E453-K456 PolarHBondContact OE1-NZ 2.85Å; E453-K456 WeakPolarHBondContact OE2-CD 3.49Å; S454-K456 VanDerWaalsContact C-N 3.33Å; S454-K456 PolarHBondContact O-N 3.15Å; K456-E458 VanDerWaalsContact C-N 3.33Å; K456-S459 CarbonylContact O-C 3.6Å; K456-S459 PolarHBondContact O-N 3.43Å; K456-K460 WeakPolarHBondContact O-CB 3.41Å; K456-K460 WeakPolarHBondContact O-CG 3.33Å; K456-K460 PolarHBondContact O-N 2.75Å
457	E	66.6	Low	60.9	Low	88 Å²	88	95.6 Å²	95.6	41%	0.411	47%	0.473	S	S	.	.	H	α-helix	trans	-69.5	-33.8	172.2	-73.8	-57.2	129	0	0	111.2	E453 S454 K460 K461	E453-E457 PolarHBondContact O-N 3.06Å; S454-E457 CarbonylContact O-C 3.57Å; S454-E457 PolarHBondContact O-N 3.45Å; E457-K460 PolarHBondContact O-N 3.03Å; E457-K460 VanDerWaalsContact OE1-CD 3.32Å; E457-K460 WeakPolarHBondContact OE1-CD 3.24Å; E457-K460 WeakPolarHBondContact OE1-CE 3.35Å; E457-K460 IonicContact OE1-NZ 2.7Å; E457-K460 PolarHBondContact OE1-NZ 2.97Å; E457-K461 WeakPolarHBondContact O-CB 3.41Å; E457-K461 WeakPolarHBondContact O-CD 3.34Å; E457-K461 WeakPolarHBondContact O-CG 3.37Å; E457-K461 PolarHBondContact O-N 3.33Å
458	E	58	Low	60.3	Low	77 Å²	77	90.1 Å²	90.1	36%	0.36	45%	0.448	S	S	.	.	H	α-helix	trans	-73.8	-28.3	171.6	-150.5	-174.6	-112.2	0	0	111.8	S454 K456 K462	S454-E458 WeakPolarHBondContact O-CB 3.38Å; S454-E458 PolarHBondContact O-N 2.7Å; K456-E458 VanDerWaalsContact C-N 3.33Å; E458-K462 HydrophobicContact CG-CD 4.34Å; E458-K462 WeakPolarHBondContact O-CB 3.28Å; E458-K462 WeakPolarHBondContact O-CD 3.47Å; E458-K462 WeakPolarHBondContact O-CG 3.45Å; E458-K462 PolarHBondContact O-N 2.89Å; E458-K462 WeakPolarHBondContact OE2-CE 3.4Å; E458-K462 IonicContact OE2-NZ 3.15Å; E458-K462 PolarHBondContact OE2-NZ 3.49Å
459	S	51.1	Low	59.7	Low	68 Å²	68	88 Å²	88	48%	0.476	44%	0.442	S	S	.	.	H	α-helix	trans	-73.6	-37.8	169.3	170.8	0	0	0	0	111.8	L455 K456 K461 K462 S463	L455-S459 WeakPolarHBondContact O-CA 3.24Å; L455-S459 WeakPolarHBondContact O-CB 3.1Å; L455-S459 PolarHBondContact O-N 2.76Å; K456-S459 CarbonylContact O-C 3.6Å; K456-S459 PolarHBondContact O-N 3.43Å; S459-K461 VanDerWaalsContact C-N 3.32Å; S459-K462 CarbonylContact O-C 3.56Å; S459-K462 PolarHBondContact O-N 3.46Å; S459-S463 VanDerWaalsContact O-CB 3.3Å; S459-S463 WeakPolarHBondContact O-CB 3.39Å; S459-S463 PolarHBondContact O-N 3.49Å; S459-S463 PolarHBondContact O-OG 2.85Å
460	K	52	Low	59.2	Low	99 Å²	99	88.4 Å²	88.4	43%	0.43	45%	0.448	S	S	.	.	H	α-helix	trans	-70	-27.1	171.2	-68.2	164.6	-156	168	0	112.4	K456 E457 S463 R464	K456-K460 WeakPolarHBondContact O-CB 3.41Å; K456-K460 WeakPolarHBondContact O-CG 3.33Å; K456-K460 PolarHBondContact O-N 2.75Å; E457-K460 PolarHBondContact O-N 3.03Å; E457-K460 VanDerWaalsContact OE1-CD 3.32Å; E457-K460 WeakPolarHBondContact OE1-CD 3.24Å; E457-K460 WeakPolarHBondContact OE1-CE 3.35Å; E457-K460 IonicContact OE1-NZ 2.7Å; E457-K460 PolarHBondContact OE1-NZ 2.97Å; K460-S463 PolarHBondContact O-OG 2.86Å; K460-R464 WeakPolarHBondContact O-CD 3.1Å; K460-R464 WeakPolarHBondContact O-CG 3.35Å
461	K	51.7	Low	58.9	Low	125 Å²	125	84.4 Å²	84.4	54%	0.543	43%	0.43	S	S	.	.	H	α-helix	trans	-74.2	-48.2	167	-72.3	163.3	-172.2	168.7	0	110.8	E457 S459 S463 R464 D465	E457-K461 WeakPolarHBondContact O-CB 3.41Å; E457-K461 WeakPolarHBondContact O-CD 3.34Å; E457-K461 WeakPolarHBondContact O-CG 3.37Å; E457-K461 PolarHBondContact O-N 3.33Å; S459-K461 VanDerWaalsContact C-N 3.32Å; K461-S463 VanDerWaalsContact C-N 3.34Å; K461-S463 PolarHBondContact O-N 2.81Å; K461-R464 CarbonylContact O-C 3.58Å; K461-R464 VanDerWaalsContact O-CA 3.29Å; K461-R464 WeakPolarHBondContact O-CA 3.14Å; K461-R464 WeakPolarHBondContact O-CB 3.42Å; K461-R464 PolarHBondContact O-N 3.15Å; K461-D465 PolarHBondContact O-N 3.39Å
462	K	45.9	Very low	59.2	Low	116 Å²	116	84.8 Å²	84.8	50%	0.504	43%	0.434	S	S	.	.	H	α-helix	trans	-64.1	-33.6	177.5	-75.7	163.4	174.4	169.6	0	112.3	E458 S459 R464 D465 E466	E458-K462 HydrophobicContact CG-CD 4.34Å; E458-K462 WeakPolarHBondContact O-CB 3.28Å; E458-K462 WeakPolarHBondContact O-CD 3.47Å; E458-K462 WeakPolarHBondContact O-CG 3.45Å; E458-K462 PolarHBondContact O-N 2.89Å; E458-K462 WeakPolarHBondContact OE2-CE 3.4Å; E458-K462 IonicContact OE2-NZ 3.15Å; E458-K462 PolarHBondContact OE2-NZ 3.49Å; S459-K462 CarbonylContact O-C 3.56Å; S459-K462 PolarHBondContact O-N 3.46Å; K462-R464 PolarHBondContact O-N 2.79Å; K462-D465 CarbonylContact O-C 3.55Å; K462-D465 PolarHBondContact O-N 3.31Å; K462-D465 VanDerWaalsContact O-N 3.15Å; K462-E466 PolarHBondContact O-N 3.42Å
463	S	46.7	Very low	59.7	Low	46 Å²	46	86.8 Å²	86.8	32%	0.322	44%	0.436	S	S	.	.	H	α-helix	trans	-77.3	-1.2	169.9	77.4	0	0	0	0	113.7	S459 K460 K461	S459-S463 VanDerWaalsContact O-CB 3.3Å; S459-S463 WeakPolarHBondContact O-CB 3.39Å; S459-S463 PolarHBondContact O-N 3.49Å; S459-S463 PolarHBondContact O-OG 2.85Å; K460-S463 PolarHBondContact O-OG 2.86Å; K461-S463 VanDerWaalsContact C-N 3.34Å; K461-S463 PolarHBondContact O-N 2.81Å
464	R	46	Very low	60	Low	133 Å²	133	87.5 Å²	87.5	50%	0.502	44%	0.443	S	S	.	.	H	α-helix	trans	-105.7	-14.3	166.4	-80	175.3	157.2	171.5	-7.3	112.3	K460 K461 K462 R509 D517	K460-R464 WeakPolarHBondContact O-CD 3.1Å; K460-R464 WeakPolarHBondContact O-CG 3.35Å; K461-R464 CarbonylContact O-C 3.58Å; K461-R464 VanDerWaalsContact O-CA 3.29Å; K461-R464 WeakPolarHBondContact O-CA 3.14Å; K461-R464 WeakPolarHBondContact O-CB 3.42Å; K461-R464 PolarHBondContact O-N 3.15Å; K462-R464 PolarHBondContact O-N 2.79Å; R464-R509 PolarHBondContact O-NH2 3.5Å; R464-D517 IonicContact CZ-OD1 3.49Å; R464-D517 IonicContact NE-OD1 2.62Å; R464-D517 IonicContact NH2-OD1 2.68Å; R464-D517 PolarHBondContact NH2-OD1 3.45Å
465	D	46.9	Very low	60.6	Low	104 Å²	104	85.7 Å²	85.7	56%	0.556	43%	0.426	S	S	*	.	H	α-helix	trans	-121.3	10.7	-179.2	-76.5	-43.1	0	0	0	113.9	K461 K462 R509	K461-D465 PolarHBondContact O-N 3.39Å; K462-D465 CarbonylContact O-C 3.55Å; K462-D465 PolarHBondContact O-N 3.31Å; K462-D465 VanDerWaalsContact O-N 3.15Å; D465-R509 IonicContact OD1-CZ 3.92Å; D465-R509 IonicContact OD1-NH1 3.9Å; D465-R509 IonicContact OD1-NH2 3.79Å; D465-R509 PolarHBondContact OD1-NH2 3.18Å
466	E	51.1	Low	61.8	Low	98 Å²	98	81.4 Å²	81.4	46%	0.458	40%	0.404	S	S	.	.	S	Bend	trans	-57.7	133.2	165.4	-99.6	175.7	-167	0	0	108.6	K462 V468 M471	K462-E466 PolarHBondContact O-N 3.42Å; E466-V468 PolarHBondContact O-N 2.81Å; E466-M471 VanDerWaalsContact OE2-CE 3.24Å; E466-M471 WeakPolarHBondContact OE2-CE 3.24Å
467	P	55.8	Low	62.7	Low	77 Å²	77	78.8 Å²	78.8	50%	0.5	40%	0.397	S	S	.	.			trans	-58.8	113.9	175.3	-23.6	34	0	0	0	110	D469 D470	P467-D469 PolarHBondContact O-N 2.91Å; P467-D470 HydrophobicContact CB-CB 4.45Å; P467-D470 PolarHBondContact O-N 3.41Å
468	V	61.2	Low	63.7	Low	14 Å²	14	81.8 Å²	81.8	9%	0.085	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.5	-178	-176	0	0	0	0	111.1	E466 D470 M471 W476 K507 R509 H512	E466-V468 PolarHBondContact O-N 2.81Å; V468-D470 PolarHBondContact O-N 2.83Å; V468-M471 WeakPolarHBondContact O-CB 3.25Å; V468-W476 HydrophobicContact CG1-CH2 3.43Å; V468-W476 VanDerWaalsContact CG1-CH2 3.43Å; V468-W476 HydrophobicContact CG1-CZ2 3.44Å; V468-W476 VanDerWaalsContact CG1-CZ2 3.44Å; V468-W476 WeakPolarHBondContact O-CZ2 3.36Å; V468-K507 HydrophobicContact CG1-CB 4.33Å; V468-K507 WeakPolarHBondContact CG1-O 3.47Å; V468-K507 WeakPolarHBondContact O-CD 3.15Å; V468-R509 HydrophobicContact CG2-CB 3.95Å; V468-R509 HydrophobicContact CG2-CG 3.84Å; V468-H512 HydrophobicContact CG1-CB 4.04Å; V468-H512 HydrophobicContact CG2-CB 4.45Å
469	D	59.6	Low	65.2	Low	87 Å²	87	78.1 Å²	78.1	47%	0.465	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-30	172.4	-69.3	-55.2	0	0	0	114.6	P467 K507	P467-D469 PolarHBondContact O-N 2.91Å; D469-K507 PolarHBondContact O-NZ 3.42Å
470	D	62.5	Low	67	Low	127 Å²	127	76.2 Å²	76.2	68%	0.679	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-15.2	-178.3	-70.1	-44.8	0	0	0	113.3	P467 V468	P467-D470 HydrophobicContact CB-CB 4.45Å; P467-D470 PolarHBondContact O-N 3.41Å; V468-D470 PolarHBondContact O-N 2.83Å
471	M	68.9	Low	68.8	Low	28 Å²	28	77.1 Å²	77.1	14%	0.138	38%	0.38	C	S	.	.	S	Bend	trans	-54.9	124.7	179.1	-175.9	59.5	60.8	0	0	111.5	E466 V468 Y475 W476 K507	E466-M471 VanDerWaalsContact OE2-CE 3.24Å; E466-M471 WeakPolarHBondContact OE2-CE 3.24Å; V468-M471 WeakPolarHBondContact O-CB 3.25Å; M471-Y475 HydrophobicContact CG-CD1 3.39Å; M471-Y475 HydrophobicContact CG-CD2 4.07Å; M471-Y475 HydrophobicContact CG-CE1 3.92Å; M471-Y475 HydrophobicContact CG-CG 3.49Å; M471-Y475 VanDerWaalsContact CG-CG 3.49Å; M471-Y475 HydrophobicContact SD-CD1 4.22Å; M471-Y475 HydrophobicContact SD-CD2 3.77Å; M471-Y475 HydrophobicContact SD-CE2 4.31Å; M471-Y475 HydrophobicContact SD-CG 3.72Å; M471-W476 HydrophobicContact CB-CZ2 4.14Å; M471-W476 HydrophobicContact CG-CZ2 4.32Å; M471-W476 PolarHBondContact O-NE1 3.28Å; M471-K507 PolarHBondContact O-NZ 2.81Å; M471-K507 VanDerWaalsContact O-NZ 3.08Å
472	P	77.2	Confident	70.6	Confident	83 Å²	83	73.3 Å²	73.3	54%	0.539	37%	0.368	S	S	.	.			trans	-58.5	152.4	-171.3	-29.5	36	0	0	0	115.4	D474 Y475	P472-D474 PolarHBondContact O-N 3.32Å; P472-D474 VanDerWaalsContact O-N 3.14Å; P472-Y475 WeakPolarHBondContact O-CB 3.21Å; P472-Y475 PolarHBondContact O-N 3.04Å
473	W	78.9	Confident	72.8	Confident	112 Å²	112	67.8 Å²	67.8	42%	0.424	34%	0.344	S	S	.	.	H	α-helix	trans	-63.1	-23.4	-177.8	-166.4	-109.6	0	0	0	114.1	Y475 W476 S477 L480 W505	W473-Y475 VanDerWaalsContact C-N 3.31Å; W473-Y475 PolarHBondContact O-N 3.05Å; W473-W476 HydrophobicContact CD2-CB 4.43Å; W473-W476 HydrophobicContact CE3-CB 3.91Å; W473-W476 HydrophobicContact CE3-CG 4.29Å; W473-W476 HydrophobicContact CH2-CB 4.46Å; W473-W476 HydrophobicContact CZ3-CB 3.93Å; W473-W476 HydrophobicContact CZ3-CG 4.34Å; W473-W476 PolarHBondContact O-N 3.02Å; W473-S477 VanDerWaalsContact CD1-OG 3.29Å; W473-S477 PolarHBondContact NE1-OG 3.24Å; W473-S477 VanDerWaalsContact O-CB 3.26Å; W473-S477 WeakPolarHBondContact O-CB 3.24Å; W473-S477 PolarHBondContact O-N 3.37Å; W473-S477 PolarHBondContact O-OG 2.92Å; W473-L480 HydrophobicContact CZ2-CD1 4.45Å; W473-W505 HydrophobicContact CH2-CD2 4.2Å; W473-W505 AromaticContact CH2-CE3 3.77Å; W473-W505 HydrophobicContact CH2-CE3 3.77Å; W473-W505 AromaticContact CH2-CH2 3.9Å; W473-W505 HydrophobicContact CH2-CH2 3.9Å; W473-W505 HydrophobicContact CH2-CZ2 4.32Å; W473-W505 AromaticContact CH2-CZ3 3.61Å; W473-W505 HydrophobicContact CH2-CZ3 3.61Å; W473-W505 AromaticContact CZ2-CH2 3.85Å; W473-W505 HydrophobicContact CZ2-CH2 3.85Å; W473-W505 HydrophobicContact CZ2-CZ2 4.15Å; W473-W505 HydrophobicContact CZ2-CZ3 4.05Å; W473-W505 HydrophobicContact CZ3-CZ3 4.49Å
474	D	78.4	Confident	74.8	Confident	106 Å²	106	67.9 Å²	67.9	57%	0.567	34%	0.34	S	S	*	.	H	α-helix	trans	-60.5	-36.3	171.5	-87.8	20.1	0	0	0	113.2	P472 R478	P472-D474 PolarHBondContact O-N 3.32Å; P472-D474 VanDerWaalsContact O-N 3.14Å; D474-R478 WeakPolarHBondContact O-CD 3.27Å; D474-R478 WeakPolarHBondContact O-CG 3.41Å; D474-R478 PolarHBondContact O-N 3.37Å
475	Y	86.1	Confident	76.9	Confident	32 Å²	32	62.7 Å²	62.7	13%	0.125	33%	0.329	C	S	.	.	H	α-helix	trans	-66.4	-50.2	176.4	171.4	-85.3	0	0	0	110.3	M471 P472 W473 S477 R478 L479 H512 Y515	M471-Y475 HydrophobicContact CG-CD1 3.39Å; M471-Y475 HydrophobicContact CG-CD2 4.07Å; M471-Y475 HydrophobicContact CG-CE1 3.92Å; M471-Y475 HydrophobicContact CG-CG 3.49Å; M471-Y475 VanDerWaalsContact CG-CG 3.49Å; M471-Y475 HydrophobicContact SD-CD1 4.22Å; M471-Y475 HydrophobicContact SD-CD2 3.77Å; M471-Y475 HydrophobicContact SD-CE2 4.31Å; M471-Y475 HydrophobicContact SD-CG 3.72Å; P472-Y475 WeakPolarHBondContact O-CB 3.21Å; P472-Y475 PolarHBondContact O-N 3.04Å; W473-Y475 VanDerWaalsContact C-N 3.31Å; W473-Y475 PolarHBondContact O-N 3.05Å; Y475-S477 VanDerWaalsContact C-N 3.31Å; Y475-S477 PolarHBondContact O-N 3.39Å; Y475-R478 PolarHBondContact O-N 2.83Å; Y475-L479 HydrophobicContact CD1-CD1 3.96Å; Y475-L479 HydrophobicContact CE1-CD1 3.34Å; Y475-L479 PolarHBondContact O-N 3.08Å; Y475-H512 AromaticContact CE1-CD2 3.94Å; Y475-H512 AromaticContact CZ-CD2 3.57Å; Y475-H512 WeakPolarHBondContact OH-CA 3.38Å; Y475-H512 PolarHBondContact OH-CD2 3.45Å; Y475-Y515 HydrophobicContact CD2-CE1 4.41Å; Y475-Y515 AromaticContact CE2-CD1 3.66Å; Y475-Y515 HydrophobicContact CE2-CD1 3.66Å; Y475-Y515 AromaticContact CE2-CE1 3.73Å; Y475-Y515 HydrophobicContact CE2-CE1 3.73Å; Y475-Y515 AromaticContact CZ-CD1 3.77Å; Y475-Y515 WeakPolarHBondContact OH-CD1 3.07Å
476	W	87.6	Confident	79.1	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-65.5	-34.9	179	-59.1	108.5	0	0	0	112.3	V468 M471 W473 L479 L480 V504 K507 I511 H512	V468-W476 HydrophobicContact CG1-CH2 3.43Å; V468-W476 VanDerWaalsContact CG1-CH2 3.43Å; V468-W476 HydrophobicContact CG1-CZ2 3.44Å; V468-W476 VanDerWaalsContact CG1-CZ2 3.44Å; V468-W476 WeakPolarHBondContact O-CZ2 3.36Å; M471-W476 HydrophobicContact CB-CZ2 4.14Å; M471-W476 HydrophobicContact CG-CZ2 4.32Å; M471-W476 PolarHBondContact O-NE1 3.28Å; W473-W476 HydrophobicContact CD2-CB 4.43Å; W473-W476 HydrophobicContact CE3-CB 3.91Å; W473-W476 HydrophobicContact CE3-CG 4.29Å; W473-W476 HydrophobicContact CH2-CB 4.46Å; W473-W476 HydrophobicContact CZ3-CB 3.93Å; W473-W476 HydrophobicContact CZ3-CG 4.34Å; W473-W476 PolarHBondContact O-N 3.02Å; W476-L479 HydrophobicContact CE3-CD1 3.81Å; W476-L479 HydrophobicContact CZ3-CD1 3.96Å; W476-L479 WeakPolarHBondContact O-CB 3.29Å; W476-L479 PolarHBondContact O-N 3.03Å; W476-L480 PolarHBondContact O-N 3.48Å; W476-V504 HydrophobicContact CB-CG1 4.23Å; W476-V504 HydrophobicContact CE3-CG1 4.02Å; W476-V504 WeakPolarHBondContact O-CG1 3.34Å; W476-K507 HydrophobicContact CD2-CG 4.16Å; W476-K507 HydrophobicContact CH2-CB 3.9Å; W476-K507 HydrophobicContact CH2-CG 4.38Å; W476-K507 HydrophobicContact CZ2-CB 3.65Å; W476-K507 HydrophobicContact CZ2-CD 4.02Å; W476-K507 HydrophobicContact CZ2-CG 3.8Å; W476-I511 HydrophobicContact CZ3-CG2 4.05Å; W476-H512 HydrophobicContact CH2-CB 4.05Å
477	S	85.1	Confident	80.9	Confident	35 Å²	35	55.8 Å²	55.8	25%	0.245	29%	0.293	C	S	.	.	H	α-helix	trans	-65.5	-40.5	173.4	-61.7	0	0	0	0	112.2	W473 Y475 L479 L480 L481	W473-S477 VanDerWaalsContact CD1-OG 3.29Å; W473-S477 PolarHBondContact NE1-OG 3.24Å; W473-S477 VanDerWaalsContact O-CB 3.26Å; W473-S477 WeakPolarHBondContact O-CB 3.24Å; W473-S477 PolarHBondContact O-N 3.37Å; W473-S477 PolarHBondContact O-OG 2.92Å; Y475-S477 VanDerWaalsContact C-N 3.31Å; Y475-S477 PolarHBondContact O-N 3.39Å; S477-L479 VanDerWaalsContact C-N 3.32Å; S477-L480 PolarHBondContact O-N 3.13Å; S477-L481 WeakPolarHBondContact O-CB 3.47Å; S477-L481 VanDerWaalsContact O-CG 3.25Å; S477-L481 WeakPolarHBondContact O-CG 3.49Å; S477-L481 PolarHBondContact O-N 3.43Å
478	R	86.5	Confident	82.5	Confident	151 Å²	151	59 Å²	59	57%	0.57	31%	0.306	S	S	*	.	H	α-helix	trans	-64.2	-37.6	172.8	-70.2	166.4	-161.1	-164.8	8	111.7	D474 Y475 L481 T482	D474-R478 WeakPolarHBondContact O-CD 3.27Å; D474-R478 WeakPolarHBondContact O-CG 3.41Å; D474-R478 PolarHBondContact O-N 3.37Å; Y475-R478 PolarHBondContact O-N 2.83Å; R478-L481 PolarHBondContact O-N 3.04Å; R478-T482 WeakPolarHBondContact O-CB 3.22Å; R478-T482 PolarHBondContact O-N 2.86Å; R478-T482 PolarHBondContact O-OG1 2.9Å
479	L	89	Confident	83.9	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.4	-47.2	174	-96.9	166.3	0	0	0	112.4	Y475 W476 S477 L481 T482 V483 V504 Y515 F530	Y475-L479 HydrophobicContact CD1-CD1 3.96Å; Y475-L479 HydrophobicContact CE1-CD1 3.34Å; Y475-L479 PolarHBondContact O-N 3.08Å; W476-L479 HydrophobicContact CE3-CD1 3.81Å; W476-L479 HydrophobicContact CZ3-CD1 3.96Å; W476-L479 WeakPolarHBondContact O-CB 3.29Å; W476-L479 PolarHBondContact O-N 3.03Å; S477-L479 VanDerWaalsContact C-N 3.32Å; L479-L481 PolarHBondContact O-N 2.97Å; L479-T482 WeakPolarHBondContact O-CB 3.38Å; L479-T482 PolarHBondContact O-N 3.16Å; L479-T482 VanDerWaalsContact O-N 3.17Å; L479-V483 WeakPolarHBondContact O-CG2 3.4Å; L479-V483 PolarHBondContact O-N 3.49Å; L479-V504 HydrophobicContact CB-CG1 4.07Å; L479-V504 HydrophobicContact CB-CG2 3.91Å; L479-Y515 HydrophobicContact CD1-CG 4.43Å; L479-Y515 HydrophobicContact CD2-CD2 3.67Å; L479-Y515 HydrophobicContact CD2-CE2 4.33Å; L479-Y515 HydrophobicContact CD2-CG 4.03Å; L479-Y515 HydrophobicContact CG-CD2 4.13Å; L479-Y515 HydrophobicContact CG-CE2 4.48Å; L479-Y515 HydrophobicContact CG-CG 4.3Å; L479-F530 HydrophobicContact CD2-CE1 3.72Å; L479-F530 HydrophobicContact CD2-CZ 3.72Å
480	L	90.4	Very high	85.1	Confident	27 Å²	27	68.8 Å²	68.8	14%	0.141	35%	0.345	C	S	.	.	H	α-helix	trans	-56.4	-49.9	173	-76.9	172.1	0	0	0	111.2	W473 W476 S477 T482 V483 D484 R501 V504	W473-L480 HydrophobicContact CZ2-CD1 4.45Å; W476-L480 PolarHBondContact O-N 3.48Å; S477-L480 PolarHBondContact O-N 3.13Å; L480-T482 PolarHBondContact O-N 3.07Å; L480-V483 PolarHBondContact O-N 2.85Å; L480-D484 WeakPolarHBondContact O-CB 3.48Å; L480-D484 PolarHBondContact O-N 2.83Å; L480-R501 HydrophobicContact CD2-CB 4.31Å; L480-R501 HydrophobicContact CD2-CG 4.11Å; L480-V504 HydrophobicContact CD1-CG1 4.41Å; L480-V504 HydrophobicContact CD2-CB 4.02Å; L480-V504 HydrophobicContact CD2-CG1 3.85Å; L480-V504 HydrophobicContact CG-CB 4.32Å; L480-V504 HydrophobicContact CG-CG1 3.6Å
481	L	90.1	Very high	86.3	Confident	119 Å²	119	66.5 Å²	66.5	62%	0.623	33%	0.329	S	S	*	.	H	α-helix	trans	-62	-29	178.6	-71.1	169.5	0	0	0	113.1	S477 R478 L479 G485	S477-L481 WeakPolarHBondContact O-CB 3.47Å; S477-L481 VanDerWaalsContact O-CG 3.25Å; S477-L481 WeakPolarHBondContact O-CG 3.49Å; S477-L481 PolarHBondContact O-N 3.43Å; R478-L481 PolarHBondContact O-N 3.04Å; L479-L481 PolarHBondContact O-N 2.97Å; L481-G485 PolarHBondContact O-N 2.79Å
482	T	89.6	Confident	87.3	Confident	45 Å²	45	65.8 Å²	65.8	28%	0.276	33%	0.326	S	S	.	.	H	α-helix	trans	-71.3	-46.9	174.5	-56.9	0	0	0	0	111.1	R478 L479 L480 G485 W486	R478-T482 WeakPolarHBondContact O-CB 3.22Å; R478-T482 PolarHBondContact O-N 2.86Å; R478-T482 PolarHBondContact O-OG1 2.9Å; L479-T482 WeakPolarHBondContact O-CB 3.38Å; L479-T482 PolarHBondContact O-N 3.16Å; L479-T482 VanDerWaalsContact O-N 3.17Å; L480-T482 PolarHBondContact O-N 3.07Å; T482-G485 PolarHBondContact O-N 2.76Å; T482-W486 HydrophobicContact CG2-CD2 4.15Å; T482-W486 HydrophobicContact CG2-CE3 4.37Å; T482-W486 HydrophobicContact CG2-CH2 3.85Å; T482-W486 HydrophobicContact CG2-CZ2 3.58Å; T482-W486 HydrophobicContact CG2-CZ3 4.23Å; T482-W486 PolarHBondContact O-N 3.47Å
483	V	90.6	Very high	87.7	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.4	-41.9	176.1	175.8	0	0	0	0	111.3	L479 L480 W486 L487 I492 A497 L500 R501	L479-V483 WeakPolarHBondContact O-CG2 3.4Å; L479-V483 PolarHBondContact O-N 3.49Å; L480-V483 PolarHBondContact O-N 2.85Å; V483-W486 PolarHBondContact O-N 3.01Å; V483-L487 PolarHBondContact O-N 3.47Å; V483-I492 HydrophobicContact CG1-CD1 4.06Å; V483-A497 HydrophobicContact CG1-CB 4.09Å; V483-L500 HydrophobicContact CG1-CB 3.89Å; V483-L500 HydrophobicContact CG2-CB 4Å; V483-R501 HydrophobicContact CG1-CG 4.17Å
484	D	90.3	Very high	88	Confident	47 Å²	47	61.9 Å²	61.9	25%	0.251	32%	0.32	S	S	.	.	H	α-helix	trans	-64.2	-41.6	175.3	-73.6	-17.6	0	0	0	111.6	L480 L487 L488 R501	L480-D484 WeakPolarHBondContact O-CB 3.48Å; L480-D484 PolarHBondContact O-N 2.83Å; D484-L487 PolarHBondContact O-N 2.81Å; D484-L488 WeakPolarHBondContact O-CB 3.23Å; D484-L488 VanDerWaalsContact O-CG 3.24Å; D484-L488 WeakPolarHBondContact O-CG 3.29Å; D484-L488 PolarHBondContact O-N 3.37Å; D484-R501 IonicContact OD1-CZ 2.76Å; D484-R501 IonicContact OD1-NE 2.68Å; D484-R501 PolarHBondContact OD1-NE 2.84Å; D484-R501 IonicContact OD1-NH2 2.63Å; D484-R501 PolarHBondContact OD1-NH2 3.49Å
485	G	89.8	Confident	88	Confident	25 Å²	25	62.9 Å²	62.9	26%	0.258	33%	0.326	S	S	.	.	H	α-helix	trans	-58.5	-48.8	173.1	0	0	0	0	0	112.2	L481 T482 L487 L488 E489	L481-G485 PolarHBondContact O-N 2.79Å; T482-G485 PolarHBondContact O-N 2.76Å; G485-L487 VanDerWaalsContact C-N 3.31Å; G485-L487 PolarHBondContact O-N 3.29Å; G485-L488 PolarHBondContact O-N 3.17Å; G485-E489 WeakPolarHBondContact O-CB 3.38Å; G485-E489 WeakPolarHBondContact O-CG 3.46Å; G485-E489 PolarHBondContact O-N 2.96Å
486	W	92.1	Very high	88.1	Confident	15 Å²	15	63.6 Å²	63.6	6%	0.057	33%	0.332	C	S	.	.	H	α-helix	trans	-61.9	-34.8	175.9	-67.1	-22.5	0	0	0	113.2	T482 V483 K490 K491 I492 E523 A526 I527 F530	T482-W486 HydrophobicContact CG2-CD2 4.15Å; T482-W486 HydrophobicContact CG2-CE3 4.37Å; T482-W486 HydrophobicContact CG2-CH2 3.85Å; T482-W486 HydrophobicContact CG2-CZ2 3.58Å; T482-W486 HydrophobicContact CG2-CZ3 4.23Å; T482-W486 PolarHBondContact O-N 3.47Å; V483-W486 PolarHBondContact O-N 3.01Å; W486-K490 PolarHBondContact O-N 3.25Å; W486-K491 HydrophobicContact CB-CB 4.23Å; W486-K491 WeakPolarHBondContact O-CB 3.09Å; W486-K491 PolarHBondContact O-N 2.88Å; W486-I492 HydrophobicContact CB-CD1 3.87Å; W486-I492 HydrophobicContact CB-CG1 3.94Å; W486-I492 HydrophobicContact CB-CG2 4.32Å; W486-E523 PolarHBondContact NE1-OE1 3.44Å; W486-A526 HydrophobicContact CH2-CB 4.41Å; W486-A526 HydrophobicContact CZ2-CB 4.25Å; W486-I527 HydrophobicContact CD2-CD1 4.42Å; W486-I527 HydrophobicContact CD2-CG1 3.72Å; W486-I527 VanDerWaalsContact CE2-CG1 3.43Å; W486-I527 HydrophobicContact CE3-CG1 4.21Å; W486-I527 HydrophobicContact CG-CD1 4.36Å; W486-I527 HydrophobicContact CG-CG1 4.14Å; W486-I527 HydrophobicContact CH2-CG1 4.2Å; W486-I527 HydrophobicContact CZ2-CG1 3.7Å; W486-I527 HydrophobicContact CZ3-CG1 4.43Å; W486-F530 HydrophobicContact CH2-CB 4.36Å; W486-F530 HydrophobicContact CH2-CD1 4.29Å; W486-F530 AromaticContact CH2-CD2 3.85Å; W486-F530 HydrophobicContact CH2-CD2 3.85Å; W486-F530 HydrophobicContact CH2-CE2 4.18Å; W486-F530 AromaticContact CH2-CG 3.92Å; W486-F530 HydrophobicContact CH2-CG 3.92Å; W486-F530 HydrophobicContact CZ3-CB 3.85Å; W486-F530 AromaticContact CZ3-CD1 3.77Å; W486-F530 HydrophobicContact CZ3-CD1 3.77Å; W486-F530 HydrophobicContact CZ3-CD2 4.08Å; W486-F530 HydrophobicContact CZ3-CE1 4.32Å; W486-F530 AromaticContact CZ3-CG 3.63Å; W486-F530 HydrophobicContact CZ3-CG 3.63Å
487	L	90.3	Very high	88	Confident	41 Å²	41	63.6 Å²	63.6	22%	0.215	33%	0.332	C	S	.	.	H	α-helix	trans	-70.3	-45.3	174.2	-177	66.2	0	0	0	112	V483 D484 G485 E489 K490 I492 A497	V483-L487 PolarHBondContact O-N 3.47Å; D484-L487 PolarHBondContact O-N 2.81Å; G485-L487 VanDerWaalsContact C-N 3.31Å; G485-L487 PolarHBondContact O-N 3.29Å; L487-E489 VanDerWaalsContact C-N 3.31Å; L487-E489 PolarHBondContact O-N 3Å; L487-K490 WeakPolarHBondContact O-CA 3.16Å; L487-K490 PolarHBondContact O-N 3.28Å; L487-I492 HydrophobicContact CB-CG1 4.39Å; L487-A497 HydrophobicContact CB-CB 4.04Å; L487-A497 HydrophobicContact CD1-CB 3.96Å; L487-A497 HydrophobicContact CD2-CB 4.01Å; L487-A497 HydrophobicContact CG-CB 4.21Å
488	L	88.6	Confident	88	Confident	145 Å²	145	65.4 Å²	65.4	76%	0.759	34%	0.339	S	S	*	.	H	α-helix	trans	-62	-39.1	179.5	-73.3	168.2	0	0	0	111.8	D484 G485 K490	D484-L488 WeakPolarHBondContact O-CB 3.23Å; D484-L488 VanDerWaalsContact O-CG 3.24Å; D484-L488 WeakPolarHBondContact O-CG 3.29Å; D484-L488 PolarHBondContact O-N 3.37Å; G485-L488 PolarHBondContact O-N 3.17Å; L488-K490 PolarHBondContact O-N 3.04Å
489	E	89.6	Confident	87.8	Confident	124 Å²	124	62.5 Å²	62.5	58%	0.579	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	0.2	174	-64.9	-172.3	168.4	0	0	113.7	G485 L487 K491	G485-E489 WeakPolarHBondContact O-CB 3.38Å; G485-E489 WeakPolarHBondContact O-CG 3.46Å; G485-E489 PolarHBondContact O-N 2.96Å; L487-E489 VanDerWaalsContact C-N 3.31Å; L487-E489 PolarHBondContact O-N 3Å; E489-K491 VanDerWaalsContact C-N 3.26Å; E489-K491 HydrophobicContact CB-CD 4.04Å; E489-K491 HydrophobicContact CB-CG 4.22Å; E489-K491 PolarHBondContact O-N 2.96Å; E489-K491 WeakPolarHBondContact OE2-CE 3.49Å; E489-K491 IonicContact OE2-NZ 2.67Å; E489-K491 PolarHBondContact OE2-NZ 2.98Å
490	K	86	Confident	87.8	Confident	183 Å²	183	62.5 Å²	62.5	80%	0.796	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	32.3	178.6	-52.2	178.6	-176.7	177.4	0	113.9	W486 L487 L488	W486-K490 PolarHBondContact O-N 3.25Å; L487-K490 WeakPolarHBondContact O-CA 3.16Å; L487-K490 PolarHBondContact O-N 3.28Å; L488-K490 PolarHBondContact O-N 3.04Å
491	K	87.7	Confident	87.7	Confident	78 Å²	78	64.1 Å²	64.1	34%	0.339	34%	0.338	S	S	.	.	S	Bend	trans	-81.3	-21.9	175.6	-72.3	167.5	164.1	172.2	0	113	W486 E489 E523 I527	W486-K491 HydrophobicContact CB-CB 4.23Å; W486-K491 WeakPolarHBondContact O-CB 3.09Å; W486-K491 PolarHBondContact O-N 2.88Å; E489-K491 VanDerWaalsContact C-N 3.26Å; E489-K491 HydrophobicContact CB-CD 4.04Å; E489-K491 HydrophobicContact CB-CG 4.22Å; E489-K491 PolarHBondContact O-N 2.96Å; E489-K491 WeakPolarHBondContact OE2-CE 3.49Å; E489-K491 IonicContact OE2-NZ 2.67Å; E489-K491 PolarHBondContact OE2-NZ 2.98Å; K491-E523 IonicContact NZ-OE1 3.85Å; K491-E523 PolarHBondContact NZ-OE1 2.92Å; K491-E523 IonicContact NZ-OE2 2.68Å; K491-E523 PolarHBondContact NZ-OE2 3.16Å; K491-I527 HydrophobicContact CB-CD1 4.1Å; K491-I527 HydrophobicContact CD-CD1 3.97Å; K491-I527 HydrophobicContact CG-CD1 4.4Å
492	I	88.9	Confident	87.4	Confident	14 Å²	14	61.8 Å²	61.8	7%	0.072	33%	0.326	C	S	.	.	S	Bend	trans	-131.1	159	174.4	62	178.7	0	0	0	110.5	V483 W486 L487 A497 L500 I527 L531	V483-I492 HydrophobicContact CG1-CD1 4.06Å; W486-I492 HydrophobicContact CB-CD1 3.87Å; W486-I492 HydrophobicContact CB-CG1 3.94Å; W486-I492 HydrophobicContact CB-CG2 4.32Å; L487-I492 HydrophobicContact CB-CG1 4.39Å; I492-A497 HydrophobicContact CD1-CB 3.61Å; I492-A497 HydrophobicContact CG1-CB 4.12Å; I492-L500 HydrophobicContact CD1-CD1 4.35Å; I492-I527 HydrophobicContact CG2-CG2 3.91Å; I492-L531 HydrophobicContact CB-CD2 4.32Å; I492-L531 HydrophobicContact CG2-CD1 4.29Å; I492-L531 HydrophobicContact CG2-CD2 3.88Å; I492-L531 HydrophobicContact CG2-CG 4.16Å
493	A	86.6	Confident	87.2	Confident	52 Å²	52	60.2 Å²	60.2	43%	0.43	32%	0.316	S	S	.	.			trans	-80	160.2	175	0	0	0	0	0	111.6	N495 D496 A497	A493-N495 PolarHBondContact O-N 2.88Å; A493-D496 WeakPolarHBondContact CB-OD2 3.47Å; A493-D496 PolarHBondContact N-OD2 2.7Å; A493-D496 PolarHBondContact O-N 2.74Å; A493-A497 PolarHBondContact O-N 3.06Å
494	S	84.1	Confident	87	Confident	61 Å²	61	60.2 Å²	60.2	43%	0.427	32%	0.316	S	S	.	.	H	α-helix	trans	-58.3	-47.2	179.8	-161.4	0	0	0	0	111.9	D496 A497 D498	S494-D496 VanDerWaalsContact C-N 3.25Å; S494-D496 PolarHBondContact O-N 2.7Å; S494-A497 CarbonylContact O-C 3.58Å; S494-A497 WeakPolarHBondContact O-CB 3.45Å; S494-A497 PolarHBondContact O-N 3Å; S494-A497 VanDerWaalsContact O-N 3.1Å; S494-D498 WeakPolarHBondContact O-CB 3.44Å; S494-D498 VanDerWaalsContact O-CG 3.22Å; S494-D498 PolarHBondContact O-N 2.87Å; S494-D498 PolarHBondContact OG-OD2 2.81Å
495	N	80.1	Confident	86.6	Confident	126 Å²	126	65.2 Å²	65.2	67%	0.674	33%	0.331	S	S	*	.	H	α-helix	trans	-58.1	-39.3	-179.8	-58.7	14.4	0	0	0	112	A493 L499	A493-N495 PolarHBondContact O-N 2.88Å; N495-L499 WeakPolarHBondContact O-CG 3.18Å; N495-L499 PolarHBondContact O-N 3.29Å; N495-L499 VanDerWaalsContact O-N 3.1Å
496	D	86.6	Confident	86	Confident	47 Å²	47	67.8 Å²	67.8	25%	0.251	34%	0.336	S	S	.	.	H	α-helix	trans	-69.3	-43.5	177.6	-52.4	-32.9	0	0	0	110.6	A493 S494 D498 L499 L500 L531 V534	A493-D496 WeakPolarHBondContact CB-OD2 3.47Å; A493-D496 PolarHBondContact N-OD2 2.7Å; A493-D496 PolarHBondContact O-N 2.74Å; S494-D496 VanDerWaalsContact C-N 3.25Å; S494-D496 PolarHBondContact O-N 2.7Å; D496-D498 VanDerWaalsContact C-N 3.34Å; D496-D498 PolarHBondContact O-N 3.23Å; D496-L499 PolarHBondContact O-N 2.94Å; D496-L500 WeakPolarHBondContact O-CB 3.45Å; D496-L500 VanDerWaalsContact O-CG 3.26Å; D496-L500 WeakPolarHBondContact O-CG 3.22Å; D496-L500 PolarHBondContact O-N 3.08Å; D496-L531 HydrophobicContact CB-CD2 3.84Å; D496-V534 HydrophobicContact CB-CG2 4.18Å
497	A	87.3	Confident	85.5	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62	-40.5	176	0	0	0	0	0	112.2	V483 L487 I492 A493 S494 L500 R501	V483-A497 HydrophobicContact CG1-CB 4.09Å; L487-A497 HydrophobicContact CB-CB 4.04Å; L487-A497 HydrophobicContact CD1-CB 3.96Å; L487-A497 HydrophobicContact CD2-CB 4.01Å; L487-A497 HydrophobicContact CG-CB 4.21Å; I492-A497 HydrophobicContact CD1-CB 3.61Å; I492-A497 HydrophobicContact CG1-CB 4.12Å; A493-A497 PolarHBondContact O-N 3.06Å; S494-A497 CarbonylContact O-C 3.58Å; S494-A497 WeakPolarHBondContact O-CB 3.45Å; S494-A497 PolarHBondContact O-N 3Å; S494-A497 VanDerWaalsContact O-N 3.1Å; A497-L500 PolarHBondContact O-N 3.16Å; A497-R501 WeakPolarHBondContact O-CB 3.49Å; A497-R501 WeakPolarHBondContact O-CG 3.29Å; A497-R501 PolarHBondContact O-N 3.24Å
498	D	84.3	Confident	84.9	Confident	74 Å²	74	69 Å²	69	40%	0.396	34%	0.341	S	S	.	.	H	α-helix	trans	-68.8	-37.7	179.3	-66.5	-40	0	0	0	111.8	S494 D496 R501 D502	S494-D498 WeakPolarHBondContact O-CB 3.44Å; S494-D498 VanDerWaalsContact O-CG 3.22Å; S494-D498 PolarHBondContact O-N 2.87Å; S494-D498 PolarHBondContact OG-OD2 2.81Å; D496-D498 VanDerWaalsContact C-N 3.34Å; D496-D498 PolarHBondContact O-N 3.23Å; D498-R501 IonicContact OD1-CZ 3.07Å; D498-R501 IonicContact OD1-NH1 2.72Å; D498-R501 PolarHBondContact OD1-NH1 3.06Å; D498-D502 WeakPolarHBondContact O-CB 3.47Å; D498-D502 PolarHBondContact O-N 2.83Å
499	L	83	Confident	84.4	Confident	89 Å²	89	67.4 Å²	67.4	47%	0.466	33%	0.325	S	S	.	.	H	α-helix	trans	-66.4	-42.4	170.4	-72.8	168.6	0	0	0	112.5	N495 D496 D502 M503 V534	N495-L499 WeakPolarHBondContact O-CG 3.18Å; N495-L499 PolarHBondContact O-N 3.29Å; N495-L499 VanDerWaalsContact O-N 3.1Å; D496-L499 PolarHBondContact O-N 2.94Å; L499-D502 PolarHBondContact O-N 2.95Å; L499-M503 WeakPolarHBondContact O-CG 3.46Å; L499-M503 PolarHBondContact O-N 2.89Å; L499-V534 HydrophobicContact CB-CB 4.48Å; L499-V534 HydrophobicContact CB-CG1 3.59Å; L499-V534 HydrophobicContact CD1-CB 4.2Å; L499-V534 HydrophobicContact CD1-CG1 4.18Å
500	L	88.4	Confident	84.1	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-67.4	-38.5	177.1	-69.5	173.1	0	0	0	111.8	V483 I492 D496 A497 M503 V504 I511 F530 L533 V534	V483-L500 HydrophobicContact CG1-CB 3.89Å; V483-L500 HydrophobicContact CG2-CB 4Å; I492-L500 HydrophobicContact CD1-CD1 4.35Å; D496-L500 WeakPolarHBondContact O-CB 3.45Å; D496-L500 VanDerWaalsContact O-CG 3.26Å; D496-L500 WeakPolarHBondContact O-CG 3.22Å; D496-L500 PolarHBondContact O-N 3.08Å; A497-L500 PolarHBondContact O-N 3.16Å; L500-M503 HydrophobicContact CD2-SD 4.47Å; L500-M503 PolarHBondContact O-N 3.06Å; L500-V504 WeakPolarHBondContact O-CG2 3.48Å; L500-V504 PolarHBondContact O-N 2.97Å; L500-I511 HydrophobicContact CB-CD1 4.24Å; L500-I511 HydrophobicContact CD2-CD1 3.69Å; L500-F530 HydrophobicContact CD1-CB 4.18Å; L500-F530 HydrophobicContact CD1-CD1 4.37Å; L500-F530 HydrophobicContact CD2-CB 4.42Å; L500-F530 HydrophobicContact CD2-CD1 4.12Å; L500-L533 HydrophobicContact CD2-CB 4.44Å; L500-L533 HydrophobicContact CD2-CD1 4.45Å; L500-V534 HydrophobicContact CD2-CG1 3.84Å; L500-V534 HydrophobicContact CG-CG1 3.97Å
501	R	88.9	Confident	84.2	Confident	62 Å²	62	56.6 Å²	56.6	23%	0.234	27%	0.274	C	S	.	.	H	α-helix	trans	-59.6	-43.5	171.4	-76.9	166.5	178.6	147.3	-1.7	112	L480 V483 D484 A497 D498 V504 W505	L480-R501 HydrophobicContact CD2-CB 4.31Å; L480-R501 HydrophobicContact CD2-CG 4.11Å; V483-R501 HydrophobicContact CG1-CG 4.17Å; D484-R501 IonicContact OD1-CZ 2.76Å; D484-R501 IonicContact OD1-NE 2.68Å; D484-R501 PolarHBondContact OD1-NE 2.84Å; D484-R501 IonicContact OD1-NH2 2.63Å; D484-R501 PolarHBondContact OD1-NH2 3.49Å; A497-R501 WeakPolarHBondContact O-CB 3.49Å; A497-R501 WeakPolarHBondContact O-CG 3.29Å; A497-R501 PolarHBondContact O-N 3.24Å; D498-R501 IonicContact OD1-CZ 3.07Å; D498-R501 IonicContact OD1-NH1 2.72Å; D498-R501 PolarHBondContact OD1-NH1 3.06Å; R501-V504 PolarHBondContact O-N 2.81Å; R501-W505 WeakPolarHBondContact O-CB 3.16Å; R501-W505 PolarHBondContact O-N 3.13Å
502	D	82.6	Confident	84	Confident	69 Å²	69	53 Å²	53	37%	0.369	26%	0.258	S	S	.	.	H	α-helix	trans	-63.8	-40.3	176.4	178.7	62.2	0	0	0	111.5	D498 L499 W505 K506	D498-D502 WeakPolarHBondContact O-CB 3.47Å; D498-D502 PolarHBondContact O-N 2.83Å; L499-D502 PolarHBondContact O-N 2.95Å; D502-W505 PolarHBondContact O-N 2.95Å; D502-K506 WeakPolarHBondContact O-CB 3.41Å; D502-K506 WeakPolarHBondContact O-CD 3.43Å; D502-K506 VanDerWaalsContact O-CG 3.29Å; D502-K506 WeakPolarHBondContact O-CG 3.35Å; D502-K506 PolarHBondContact O-N 3.41Å; D502-K506 WeakPolarHBondContact OD1-CE 3.31Å; D502-K506 IonicContact OD1-NZ 2.92Å; D502-K506 PolarHBondContact OD1-NZ 2.92Å; D502-K506 IonicContact OD2-NZ 2.65Å; D502-K506 PolarHBondContact OD2-NZ 2.82Å
503	M	86.1	Confident	83.6	Confident	13 Å²	13	55.1 Å²	55.1	6%	0.064	27%	0.269	C	S	.	.	H	α-helix	trans	-63	-41.3	171.8	-70.8	-178.2	72.7	0	0	112.8	L499 L500 K506 K507 D508 R510 I511 L533	L499-M503 WeakPolarHBondContact O-CG 3.46Å; L499-M503 PolarHBondContact O-N 2.89Å; L500-M503 HydrophobicContact CD2-SD 4.47Å; L500-M503 PolarHBondContact O-N 3.06Å; M503-K506 PolarHBondContact O-N 2.93Å; M503-K507 PolarHBondContact O-N 2.8Å; M503-D508 HydrophobicContact CB-CB 4Å; M503-D508 HydrophobicContact CE-CB 4.16Å; M503-D508 HydrophobicContact CG-CB 4.4Å; M503-D508 VanDerWaalsContact O-CB 3.31Å; M503-D508 WeakPolarHBondContact O-CB 3.47Å; M503-D508 PolarHBondContact O-N 3.25Å; M503-R510 HydrophobicContact CE-CB 4Å; M503-I511 HydrophobicContact CB-CB 4.27Å; M503-I511 HydrophobicContact CB-CD1 3.89Å; M503-I511 HydrophobicContact CB-CG2 4.23Å; M503-I511 HydrophobicContact CE-CB 4.2Å; M503-L533 HydrophobicContact CE-CB 4.17Å; M503-L533 HydrophobicContact CE-CD1 4.03Å; M503-L533 HydrophobicContact CE-CD2 4.37Å; M503-L533 HydrophobicContact CE-CG 4.45Å; M503-L533 HydrophobicContact SD-CB 4.2Å
504	V	86.1	Confident	83.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.2	-45.6	175.1	174.3	0	0	0	0	111.4	W476 L479 L480 L500 R501 K506 K507 I511	W476-V504 HydrophobicContact CB-CG1 4.23Å; W476-V504 HydrophobicContact CE3-CG1 4.02Å; W476-V504 WeakPolarHBondContact O-CG1 3.34Å; L479-V504 HydrophobicContact CB-CG1 4.07Å; L479-V504 HydrophobicContact CB-CG2 3.91Å; L480-V504 HydrophobicContact CD1-CG1 4.41Å; L480-V504 HydrophobicContact CD2-CB 4.02Å; L480-V504 HydrophobicContact CD2-CG1 3.85Å; L480-V504 HydrophobicContact CG-CB 4.32Å; L480-V504 HydrophobicContact CG-CG1 3.6Å; L500-V504 WeakPolarHBondContact O-CG2 3.48Å; L500-V504 PolarHBondContact O-N 2.97Å; R501-V504 PolarHBondContact O-N 2.81Å; V504-K506 PolarHBondContact O-N 2.66Å; V504-K507 PolarHBondContact O-N 2.91Å; V504-I511 HydrophobicContact CG2-CD1 3.82Å; V504-I511 HydrophobicContact CG2-CG1 4.42Å; V504-I511 HydrophobicContact CG2-CG2 4.26Å
505	W	81.7	Confident	83.6	Confident	151 Å²	151	53.5 Å²	53.5	57%	0.572	25%	0.246	S	C	*	.	H	α-helix	trans	-62.1	-29.3	178.1	-101.9	109.5	0	0	0	113.5	W473 R501 D502 K507	W473-W505 HydrophobicContact CH2-CD2 4.2Å; W473-W505 AromaticContact CH2-CE3 3.77Å; W473-W505 HydrophobicContact CH2-CE3 3.77Å; W473-W505 AromaticContact CH2-CH2 3.9Å; W473-W505 HydrophobicContact CH2-CH2 3.9Å; W473-W505 HydrophobicContact CH2-CZ2 4.32Å; W473-W505 AromaticContact CH2-CZ3 3.61Å; W473-W505 HydrophobicContact CH2-CZ3 3.61Å; W473-W505 AromaticContact CZ2-CH2 3.85Å; W473-W505 HydrophobicContact CZ2-CH2 3.85Å; W473-W505 HydrophobicContact CZ2-CZ2 4.15Å; W473-W505 HydrophobicContact CZ2-CZ3 4.05Å; W473-W505 HydrophobicContact CZ3-CZ3 4.49Å; R501-W505 WeakPolarHBondContact O-CB 3.16Å; R501-W505 PolarHBondContact O-N 3.13Å; D502-W505 PolarHBondContact O-N 2.95Å; W505-K507 VanDerWaalsContact C-N 3.34Å
506	K	77.5	Confident	83.7	Confident	80 Å²	80	49.9 Å²	49.9	35%	0.348	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	2.9	176.2	-72.8	169.9	176.7	163	0	114.3	D502 M503 V504 D508	D502-K506 WeakPolarHBondContact O-CB 3.41Å; D502-K506 WeakPolarHBondContact O-CD 3.43Å; D502-K506 VanDerWaalsContact O-CG 3.29Å; D502-K506 WeakPolarHBondContact O-CG 3.35Å; D502-K506 PolarHBondContact O-N 3.41Å; D502-K506 WeakPolarHBondContact OD1-CE 3.31Å; D502-K506 IonicContact OD1-NZ 2.92Å; D502-K506 PolarHBondContact OD1-NZ 2.92Å; D502-K506 IonicContact OD2-NZ 2.65Å; D502-K506 PolarHBondContact OD2-NZ 2.82Å; M503-K506 PolarHBondContact O-N 2.93Å; V504-K506 PolarHBondContact O-N 2.66Å; K506-D508 PolarHBondContact O-N 3.43Å
507	K	81.7	Confident	83.5	Confident	48 Å²	48	51.6 Å²	51.6	21%	0.209	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	43.1	-171.5	-61.2	-163	174.2	-161.4	0	112.7	V468 D469 M471 W476 M503 V504 W505 R509	V468-K507 HydrophobicContact CG1-CB 4.33Å; V468-K507 WeakPolarHBondContact CG1-O 3.47Å; V468-K507 WeakPolarHBondContact O-CD 3.15Å; D469-K507 PolarHBondContact O-NZ 3.42Å; M471-K507 PolarHBondContact O-NZ 2.81Å; M471-K507 VanDerWaalsContact O-NZ 3.08Å; W476-K507 HydrophobicContact CD2-CG 4.16Å; W476-K507 HydrophobicContact CH2-CB 3.9Å; W476-K507 HydrophobicContact CH2-CG 4.38Å; W476-K507 HydrophobicContact CZ2-CB 3.65Å; W476-K507 HydrophobicContact CZ2-CD 4.02Å; W476-K507 HydrophobicContact CZ2-CG 3.8Å; M503-K507 PolarHBondContact O-N 2.8Å; V504-K507 PolarHBondContact O-N 2.91Å; W505-K507 VanDerWaalsContact C-N 3.34Å; K507-R509 PolarHBondContact O-N 2.72Å
508	D	77.3	Confident	83.4	Confident	33 Å²	33	52.1 Å²	52.1	18%	0.176	24%	0.239	C	C	.	.			trans	-64.2	120.1	-173.5	-167.7	-51	0	0	0	111.5	M503 K506 R510 I511 H512	M503-D508 HydrophobicContact CB-CB 4Å; M503-D508 HydrophobicContact CE-CB 4.16Å; M503-D508 HydrophobicContact CG-CB 4.4Å; M503-D508 VanDerWaalsContact O-CB 3.31Å; M503-D508 WeakPolarHBondContact O-CB 3.47Å; M503-D508 PolarHBondContact O-N 3.25Å; K506-D508 PolarHBondContact O-N 3.43Å; D508-R510 PolarHBondContact O-N 2.81Å; D508-R510 WeakPolarHBondContact OD1-CB 3.16Å; D508-R510 VanDerWaalsContact OD1-CG 3.28Å; D508-R510 WeakPolarHBondContact OD1-CG 3.33Å; D508-R510 IonicContact OD1-CZ 2.67Å; D508-R510 PolarHBondContact OD1-N 3.48Å; D508-R510 IonicContact OD1-NE 2.67Å; D508-R510 PolarHBondContact OD1-NE 2.75Å; D508-R510 IonicContact OD1-NH2 2.74Å; D508-R510 IonicContact OD2-CZ 2.99Å; D508-R510 IonicContact OD2-NE 3.33Å; D508-R510 PolarHBondContact OD2-NE 3.48Å; D508-R510 IonicContact OD2-NH2 2.71Å; D508-R510 PolarHBondContact OD2-NH2 2.97Å; D508-I511 HydrophobicContact CB-CG2 4.27Å; D508-I511 VanDerWaalsContact O-CG2 3.31Å; D508-I511 WeakPolarHBondContact O-CG2 3.33Å; D508-I511 PolarHBondContact O-N 2.77Å; D508-H512 PolarHBondContact O-N 3.1Å
509	R	78.6	Confident	82.9	Confident	112 Å²	112	55.2 Å²	55.2	42%	0.423	25%	0.249	S	C	.	.	H	α-helix	trans	-53.6	-29.5	179.9	-178.2	161.4	-175.2	176	1.9	112.5	R464 D465 V468 K507 I511 H512 D513	R464-R509 PolarHBondContact O-NH2 3.5Å; D465-R509 IonicContact OD1-CZ 3.92Å; D465-R509 IonicContact OD1-NH1 3.9Å; D465-R509 IonicContact OD1-NH2 3.79Å; D465-R509 PolarHBondContact OD1-NH2 3.18Å; V468-R509 HydrophobicContact CG2-CB 3.95Å; V468-R509 HydrophobicContact CG2-CG 3.84Å; K507-R509 PolarHBondContact O-N 2.72Å; R509-I511 PolarHBondContact O-N 3.39Å; R509-H512 WeakPolarHBondContact O-CB 3.42Å; R509-H512 PolarHBondContact O-N 3.3Å; R509-D513 VanDerWaalsContact CG-OD2 3.3Å; R509-D513 WeakPolarHBondContact CG-OD2 3.34Å; R509-D513 IonicContact NE-OD1 2.88Å; R509-D513 IonicContact NE-OD2 3.28Å; R509-D513 WeakPolarHBondContact O-CB 3.34Å; R509-D513 PolarHBondContact O-N 2.76Å
510	R	83.1	Confident	82.7	Confident	80 Å²	80	58.2 Å²	58.2	30%	0.302	27%	0.265	S	S	.	.	H	α-helix	trans	-68.9	-33.1	178.5	-53.8	172	-66.6	151.9	-3.8	112.8	M503 D508 T514 L533	M503-R510 HydrophobicContact CE-CB 4Å; D508-R510 PolarHBondContact O-N 2.81Å; D508-R510 WeakPolarHBondContact OD1-CB 3.16Å; D508-R510 VanDerWaalsContact OD1-CG 3.28Å; D508-R510 WeakPolarHBondContact OD1-CG 3.33Å; D508-R510 IonicContact OD1-CZ 2.67Å; D508-R510 PolarHBondContact OD1-N 3.48Å; D508-R510 IonicContact OD1-NE 2.67Å; D508-R510 PolarHBondContact OD1-NE 2.75Å; D508-R510 IonicContact OD1-NH2 2.74Å; D508-R510 IonicContact OD2-CZ 2.99Å; D508-R510 IonicContact OD2-NE 3.33Å; D508-R510 PolarHBondContact OD2-NE 3.48Å; D508-R510 IonicContact OD2-NH2 2.71Å; D508-R510 PolarHBondContact OD2-NH2 2.97Å; R510-T514 VanDerWaalsContact O-CB 3.25Å; R510-T514 WeakPolarHBondContact O-CB 3.33Å; R510-T514 PolarHBondContact O-N 2.75Å; R510-T514 VanDerWaalsContact O-N 3.14Å; R510-T514 PolarHBondContact O-OG1 2.88Å; R510-L533 HydrophobicContact CB-CD2 3.87Å
511	I	86.6	Confident	82.3	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-80.3	-32.8	175.8	-155.4	153.5	0	0	0	111.7	W476 L500 M503 V504 D508 R509 Y515 F530 L533	W476-I511 HydrophobicContact CZ3-CG2 4.05Å; L500-I511 HydrophobicContact CB-CD1 4.24Å; L500-I511 HydrophobicContact CD2-CD1 3.69Å; M503-I511 HydrophobicContact CB-CB 4.27Å; M503-I511 HydrophobicContact CB-CD1 3.89Å; M503-I511 HydrophobicContact CB-CG2 4.23Å; M503-I511 HydrophobicContact CE-CB 4.2Å; V504-I511 HydrophobicContact CG2-CD1 3.82Å; V504-I511 HydrophobicContact CG2-CG1 4.42Å; V504-I511 HydrophobicContact CG2-CG2 4.26Å; D508-I511 HydrophobicContact CB-CG2 4.27Å; D508-I511 VanDerWaalsContact O-CG2 3.31Å; D508-I511 WeakPolarHBondContact O-CG2 3.33Å; D508-I511 PolarHBondContact O-N 2.77Å; R509-I511 PolarHBondContact O-N 3.39Å; I511-Y515 VanDerWaalsContact O-CB 3.31Å; I511-Y515 WeakPolarHBondContact O-CB 3.48Å; I511-Y515 PolarHBondContact O-N 3.38Å; I511-F530 HydrophobicContact CD1-CD1 3.99Å; I511-F530 HydrophobicContact CD1-CE1 3.82Å; I511-F530 HydrophobicContact CG1-CD1 3.99Å; I511-F530 HydrophobicContact CG1-CE1 3.47Å; I511-F530 VanDerWaalsContact CG1-CE1 3.47Å; I511-F530 HydrophobicContact CG1-CZ 4.24Å; I511-L533 HydrophobicContact CB-CD1 4.03Å; I511-L533 HydrophobicContact CD1-CD1 4.34Å; I511-L533 HydrophobicContact CG1-CD1 3.92Å
512	H	83.6	Confident	82	Confident	3 Å²	3	65.1 Å²	65.1	1%	0.014	30%	0.301	C	S	.	.	H	α-helix	trans	-58.6	-58.5	167.7	169.9	-86.7	0	0	0	111.3	V468 Y475 W476 D508 R509 T514 Y515 I516	V468-H512 HydrophobicContact CG1-CB 4.04Å; V468-H512 HydrophobicContact CG2-CB 4.45Å; Y475-H512 AromaticContact CE1-CD2 3.94Å; Y475-H512 AromaticContact CZ-CD2 3.57Å; Y475-H512 WeakPolarHBondContact OH-CA 3.38Å; Y475-H512 PolarHBondContact OH-CD2 3.45Å; W476-H512 HydrophobicContact CH2-CB 4.05Å; D508-H512 PolarHBondContact O-N 3.1Å; R509-H512 WeakPolarHBondContact O-CB 3.42Å; R509-H512 PolarHBondContact O-N 3.3Å; H512-T514 VanDerWaalsContact C-N 3.29Å; H512-T514 PolarHBondContact O-N 3.19Å; H512-Y515 WeakPolarHBondContact O-CA 3.44Å; H512-Y515 WeakPolarHBondContact O-CB 3.35Å; H512-Y515 PolarHBondContact O-N 3.05Å; H512-I516 WeakPolarHBondContact O-CG1 3.41Å; H512-I516 PolarHBondContact O-N 2.92Å
513	D	81.6	Confident	82.1	Confident	57 Å²	57	65.9 Å²	65.9	31%	0.305	30%	0.302	S	S	.	.	H	α-helix	trans	-62.6	-38.6	-174.8	-64.2	-4.7	0	0	0	110.9	R509 I516 D517	R509-D513 VanDerWaalsContact CG-OD2 3.3Å; R509-D513 WeakPolarHBondContact CG-OD2 3.34Å; R509-D513 IonicContact NE-OD1 2.88Å; R509-D513 IonicContact NE-OD2 3.28Å; R509-D513 WeakPolarHBondContact O-CB 3.34Å; R509-D513 PolarHBondContact O-N 2.76Å; D513-I516 PolarHBondContact O-N 3.03Å; D513-D517 WeakPolarHBondContact O-CB 3.04Å; D513-D517 PolarHBondContact O-N 2.7Å
514	T	85.4	Confident	82	Confident	25 Å²	25	75.2 Å²	75.2	15%	0.153	34%	0.337	C	S	.	.	H	α-helix	trans	-64.3	-41.3	173.3	-59.9	0	0	0	0	112.1	R510 H512 D517 V518 A529 F530 L533	R510-T514 VanDerWaalsContact O-CB 3.25Å; R510-T514 WeakPolarHBondContact O-CB 3.33Å; R510-T514 PolarHBondContact O-N 2.75Å; R510-T514 VanDerWaalsContact O-N 3.14Å; R510-T514 PolarHBondContact O-OG1 2.88Å; H512-T514 VanDerWaalsContact C-N 3.29Å; H512-T514 PolarHBondContact O-N 3.19Å; T514-D517 PolarHBondContact O-N 3.43Å; T514-V518 WeakPolarHBondContact O-CG1 3.41Å; T514-V518 WeakPolarHBondContact O-CG2 3.49Å; T514-V518 PolarHBondContact O-N 3.2Å; T514-V518 VanDerWaalsContact O-N 3.07Å; T514-A529 HydrophobicContact CG2-CB 3.75Å; T514-F530 HydrophobicContact CG2-CD2 3.78Å; T514-F530 HydrophobicContact CG2-CE2 3.92Å; T514-F530 HydrophobicContact CG2-CG 4.46Å; T514-L533 HydrophobicContact CG2-CD1 4.16Å; T514-L533 HydrophobicContact CG2-CG 4.47Å; T514-L533 WeakPolarHBondContact OG1-CD2 3.42Å
515	Y	85.8	Confident	81.9	Confident	55 Å²	55	79.2 Å²	79.2	22%	0.216	36%	0.358	C	S	.	.	H	α-helix	trans	-62.3	-46.2	175.9	-179.2	-101.7	0	0	0	111.7	Y475 L479 I511 H512 V518 K519 F530	Y475-Y515 HydrophobicContact CD2-CE1 4.41Å; Y475-Y515 AromaticContact CE2-CD1 3.66Å; Y475-Y515 HydrophobicContact CE2-CD1 3.66Å; Y475-Y515 AromaticContact CE2-CE1 3.73Å; Y475-Y515 HydrophobicContact CE2-CE1 3.73Å; Y475-Y515 AromaticContact CZ-CD1 3.77Å; Y475-Y515 WeakPolarHBondContact OH-CD1 3.07Å; L479-Y515 HydrophobicContact CD1-CG 4.43Å; L479-Y515 HydrophobicContact CD2-CD2 3.67Å; L479-Y515 HydrophobicContact CD2-CE2 4.33Å; L479-Y515 HydrophobicContact CD2-CG 4.03Å; L479-Y515 HydrophobicContact CG-CD2 4.13Å; L479-Y515 HydrophobicContact CG-CE2 4.48Å; L479-Y515 HydrophobicContact CG-CG 4.3Å; I511-Y515 VanDerWaalsContact O-CB 3.31Å; I511-Y515 WeakPolarHBondContact O-CB 3.48Å; I511-Y515 PolarHBondContact O-N 3.38Å; H512-Y515 WeakPolarHBondContact O-CA 3.44Å; H512-Y515 WeakPolarHBondContact O-CB 3.35Å; H512-Y515 PolarHBondContact O-N 3.05Å; Y515-V518 PolarHBondContact O-N 2.82Å; Y515-K519 PolarHBondContact O-N 3.3Å; Y515-F530 HydrophobicContact CD2-CZ 4.09Å
516	I	82.3	Confident	82.1	Confident	50 Å²	50	72.5 Å²	72.5	26%	0.256	34%	0.335	S	S	.	.	H	α-helix	trans	-59.4	-48.4	175.6	-63	-58.7	0	0	0	110.6	H512 D513 V518 K519	H512-I516 WeakPolarHBondContact O-CG1 3.41Å; H512-I516 PolarHBondContact O-N 2.92Å; D513-I516 PolarHBondContact O-N 3.03Å; I516-V518 PolarHBondContact O-N 3.38Å; I516-K519 PolarHBondContact O-N 2.98Å
517	D	81.2	Confident	82.6	Confident	83 Å²	83	69.5 Å²	69.5	44%	0.444	32%	0.323	S	S	.	.	H	α-helix	trans	-68.8	-13.3	-179.7	-93.4	10.7	0	0	0	114.2	R464 D513 T514 K521	R464-D517 IonicContact CZ-OD1 3.49Å; R464-D517 IonicContact NE-OD1 2.62Å; R464-D517 IonicContact NH2-OD1 2.68Å; R464-D517 PolarHBondContact NH2-OD1 3.45Å; D513-D517 WeakPolarHBondContact O-CB 3.04Å; D513-D517 PolarHBondContact O-N 2.7Å; T514-D517 PolarHBondContact O-N 3.43Å; D517-K521 WeakPolarHBondContact O-CE 3.21Å; D517-K521 PolarHBondContact O-NZ 3.25Å
518	V	84.7	Confident	82.8	Confident	11 Å²	11	69.6 Å²	69.6	7%	0.067	33%	0.329	C	S	.	.	H	α-helix	trans	-117.6	1	176.7	-49.6	0	0	0	0	115.8	T514 Y515 I516 D520 K521 A526 A529 F530	T514-V518 WeakPolarHBondContact O-CG1 3.41Å; T514-V518 WeakPolarHBondContact O-CG2 3.49Å; T514-V518 PolarHBondContact O-N 3.2Å; T514-V518 VanDerWaalsContact O-N 3.07Å; Y515-V518 PolarHBondContact O-N 2.82Å; I516-V518 PolarHBondContact O-N 3.38Å; V518-D520 PolarHBondContact O-N 3.44Å; V518-D520 VanDerWaalsContact O-N 3.12Å; V518-K521 HydrophobicContact CB-CB 4.33Å; V518-K521 HydrophobicContact CB-CD 4.26Å; V518-K521 HydrophobicContact CG1-CD 4.14Å; V518-K521 WeakPolarHBondContact O-CB 3.49Å; V518-K521 PolarHBondContact O-N 3.19Å; V518-A526 HydrophobicContact CB-CB 4.07Å; V518-A526 HydrophobicContact CG2-CB 3.65Å; V518-A529 HydrophobicContact CG1-CB 3.59Å; V518-F530 HydrophobicContact CG2-CD2 4.31Å; V518-F530 HydrophobicContact CG2-CE2 3.81Å
519	K	75.4	Confident	83.3	Confident	139 Å²	139	69.1 Å²	69.1	60%	0.604	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-37.7	-178.5	-173.1	-178.2	174.5	-170.4	0	113.8	Y515 I516	Y515-K519 PolarHBondContact O-N 3.3Å; I516-K519 PolarHBondContact O-N 2.98Å
520	D	77.4	Confident	83.7	Confident	152 Å²	152	63.9 Å²	63.9	81%	0.813	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	10.9	-178.8	-51.8	-49.3	0	0	0	113.4	V518	V518-D520 PolarHBondContact O-N 3.44Å; V518-D520 VanDerWaalsContact O-N 3.12Å
521	K	80.1	Confident	83.9	Confident	118 Å²	118	62.2 Å²	62.2	51%	0.513	31%	0.307	S	S	.	.	S	Bend	trans	-98.1	162.4	179.1	-66.4	179.2	-176.5	148.1	0	111.2	D517 V518 D525	D517-K521 WeakPolarHBondContact O-CE 3.21Å; D517-K521 PolarHBondContact O-NZ 3.25Å; V518-K521 HydrophobicContact CB-CB 4.33Å; V518-K521 HydrophobicContact CB-CD 4.26Å; V518-K521 HydrophobicContact CG1-CD 4.14Å; V518-K521 WeakPolarHBondContact O-CB 3.49Å; V518-K521 PolarHBondContact O-N 3.19Å; K521-D525 HydrophobicContact CB-CB 4.34Å
522	N	83.5	Confident	83.7	Confident	89 Å²	89	68.2 Å²	68.2	48%	0.476	33%	0.333	S	S	.	.			trans	-68.8	157	175	73.8	74.8	0	0	0	111.2	R524 D525 A526	N522-R524 VanDerWaalsContact C-N 3.28Å; N522-R524 PolarHBondContact O-N 2.88Å; N522-R524 WeakPolarHBondContact OD1-CB 3.45Å; N522-R524 PolarHBondContact OD1-N 3.02Å; N522-R524 VanDerWaalsContact OD1-N 3.1Å; N522-D525 PolarHBondContact ND2-OD2 2.86Å; N522-D525 PolarHBondContact O-N 3.46Å; N522-D525 VanDerWaalsContact O-N 3.08Å; N522-D525 PolarHBondContact OD1-N 3.43Å; N522-A526 PolarHBondContact O-N 3.09Å
523	E	84	Confident	83.5	Confident	85 Å²	85	69.3 Å²	69.3	40%	0.397	34%	0.339	S	S	.	.	H	α-helix	trans	-59.4	-33.3	-171.9	-158.7	-164.2	-176.5	0	0	114.1	W486 K491 A526 I527	W486-E523 PolarHBondContact NE1-OE1 3.44Å; K491-E523 IonicContact NZ-OE1 3.85Å; K491-E523 PolarHBondContact NZ-OE1 2.92Å; K491-E523 IonicContact NZ-OE2 2.68Å; K491-E523 PolarHBondContact NZ-OE2 3.16Å; E523-A526 PolarHBondContact O-N 2.87Å; E523-I527 HydrophobicContact CG-CD1 3.91Å; E523-I527 HydrophobicContact CG-CG1 4.49Å; E523-I527 WeakPolarHBondContact O-CB 3.37Å; E523-I527 WeakPolarHBondContact O-CD1 3.41Å; E523-I527 VanDerWaalsContact O-CG1 3.25Å; E523-I527 WeakPolarHBondContact O-CG1 3.33Å; E523-I527 PolarHBondContact O-N 2.94Å
524	R	83.9	Confident	83.3	Confident	209 Å²	209	68.1 Å²	68.1	79%	0.789	33%	0.334	S	S	*	.	H	α-helix	trans	-68.2	-39.4	178.2	-70.8	-178.3	175.9	164.9	-0.8	111.7	N522 S528	N522-R524 VanDerWaalsContact C-N 3.28Å; N522-R524 PolarHBondContact O-N 2.88Å; N522-R524 WeakPolarHBondContact OD1-CB 3.45Å; N522-R524 PolarHBondContact OD1-N 3.02Å; N522-R524 VanDerWaalsContact OD1-N 3.1Å; R524-S528 WeakPolarHBondContact O-CB 3.42Å; R524-S528 PolarHBondContact O-N 2.8Å
525	D	85.4	Confident	82.2	Confident	83 Å²	83	71.3 Å²	71.3	44%	0.444	36%	0.357	S	S	.	.	H	α-helix	trans	-71.7	-34	177.2	-68.8	-30.2	0	0	0	111.4	K521 N522 A529	K521-D525 HydrophobicContact CB-CB 4.34Å; N522-D525 PolarHBondContact ND2-OD2 2.86Å; N522-D525 PolarHBondContact O-N 3.46Å; N522-D525 VanDerWaalsContact O-N 3.08Å; N522-D525 PolarHBondContact OD1-N 3.43Å; D525-A529 WeakPolarHBondContact O-CB 3.48Å; D525-A529 PolarHBondContact O-N 3.24Å
526	A	85.9	Confident	80.3	Confident	10 Å²	10	72.1 Å²	72.1	8%	0.083	37%	0.37	C	S	.	.	H	α-helix	trans	-61.7	-54.9	170	0	0	0	0	0	111.6	W486 V518 N522 E523 S528 A529 F530	W486-A526 HydrophobicContact CH2-CB 4.41Å; W486-A526 HydrophobicContact CZ2-CB 4.25Å; V518-A526 HydrophobicContact CB-CB 4.07Å; V518-A526 HydrophobicContact CG2-CB 3.65Å; N522-A526 PolarHBondContact O-N 3.09Å; E523-A526 PolarHBondContact O-N 2.87Å; A526-S528 VanDerWaalsContact C-N 3.27Å; A526-S528 PolarHBondContact O-N 2.93Å; A526-A529 PolarHBondContact O-N 2.91Å; A526-F530 WeakPolarHBondContact O-CD2 3.45Å; A526-F530 PolarHBondContact O-N 3.39Å
527	I	87.4	Confident	78.3	Confident	18 Å²	18	75.1 Å²	75.1	9%	0.092	39%	0.393	C	S	.	.	H	α-helix	trans	-57.8	-41	177.1	-66.8	159	0	0	0	110.9	W486 K491 I492 E523 A529 F530 L531	W486-I527 HydrophobicContact CD2-CD1 4.42Å; W486-I527 HydrophobicContact CD2-CG1 3.72Å; W486-I527 VanDerWaalsContact CE2-CG1 3.43Å; W486-I527 HydrophobicContact CE3-CG1 4.21Å; W486-I527 HydrophobicContact CG-CD1 4.36Å; W486-I527 HydrophobicContact CG-CG1 4.14Å; W486-I527 HydrophobicContact CH2-CG1 4.2Å; W486-I527 HydrophobicContact CZ2-CG1 3.7Å; W486-I527 HydrophobicContact CZ3-CG1 4.43Å; K491-I527 HydrophobicContact CB-CD1 4.1Å; K491-I527 HydrophobicContact CD-CD1 3.97Å; K491-I527 HydrophobicContact CG-CD1 4.4Å; I492-I527 HydrophobicContact CG2-CG2 3.91Å; E523-I527 HydrophobicContact CG-CD1 3.91Å; E523-I527 HydrophobicContact CG-CG1 4.49Å; E523-I527 WeakPolarHBondContact O-CB 3.37Å; E523-I527 WeakPolarHBondContact O-CD1 3.41Å; E523-I527 VanDerWaalsContact O-CG1 3.25Å; E523-I527 WeakPolarHBondContact O-CG1 3.33Å; E523-I527 PolarHBondContact O-N 2.94Å; I527-A529 VanDerWaalsContact C-N 3.34Å; I527-A529 PolarHBondContact O-N 3.47Å; I527-F530 PolarHBondContact O-N 3.06Å; I527-L531 HydrophobicContact CG2-CD1 3.81Å; I527-L531 HydrophobicContact CG2-CG 4.18Å; I527-L531 WeakPolarHBondContact O-CB 3.36Å; I527-L531 VanDerWaalsContact O-CG 3.32Å; I527-L531 WeakPolarHBondContact O-CG 3.18Å; I527-L531 PolarHBondContact O-N 3.23Å
528	S	86.4	Confident	76.6	Confident	50 Å²	50	76 Å²	76	35%	0.35	40%	0.401	S	S	.	.	H	α-helix	trans	-62.2	-37.1	176	-177.8	0	0	0	0	112.9	R524 A526 K532	R524-S528 WeakPolarHBondContact O-CB 3.42Å; R524-S528 PolarHBondContact O-N 2.8Å; A526-S528 VanDerWaalsContact C-N 3.27Å; A526-S528 PolarHBondContact O-N 2.93Å; S528-K532 WeakPolarHBondContact O-CD 3.22Å; S528-K532 VanDerWaalsContact O-CG 3.25Å; S528-K532 WeakPolarHBondContact O-CG 3.43Å; S528-K532 PolarHBondContact O-N 2.7Å
529	A	86.5	Confident	74.9	Confident	22 Å²	22	77.7 Å²	77.7	18%	0.182	41%	0.414	C	S	.	.	H	α-helix	trans	-72.6	-43.9	175.6	0	0	0	0	0	112.3	T514 V518 D525 A526 I527 K532 L533	T514-A529 HydrophobicContact CG2-CB 3.75Å; V518-A529 HydrophobicContact CG1-CB 3.59Å; D525-A529 WeakPolarHBondContact O-CB 3.48Å; D525-A529 PolarHBondContact O-N 3.24Å; A526-A529 PolarHBondContact O-N 2.91Å; I527-A529 VanDerWaalsContact C-N 3.34Å; I527-A529 PolarHBondContact O-N 3.47Å; A529-K532 WeakPolarHBondContact O-CB 3.35Å; A529-K532 PolarHBondContact O-N 3.03Å; A529-K532 VanDerWaalsContact O-N 3.15Å; A529-L533 PolarHBondContact O-N 3.37Å
530	F	88.3	Confident	74.5	Confident	2 Å²	2	76.9 Å²	76.9	1%	0.009	43%	0.426	C	S	.	.	H	α-helix	trans	-63.7	-42.5	175.5	-85	-110.6	0	0	0	111.7	L479 W486 L500 I511 T514 Y515 V518 A526 I527 K532 L533	L479-F530 HydrophobicContact CD2-CE1 3.72Å; L479-F530 HydrophobicContact CD2-CZ 3.72Å; W486-F530 HydrophobicContact CH2-CB 4.36Å; W486-F530 HydrophobicContact CH2-CD1 4.29Å; W486-F530 AromaticContact CH2-CD2 3.85Å; W486-F530 HydrophobicContact CH2-CD2 3.85Å; W486-F530 HydrophobicContact CH2-CE2 4.18Å; W486-F530 AromaticContact CH2-CG 3.92Å; W486-F530 HydrophobicContact CH2-CG 3.92Å; W486-F530 HydrophobicContact CZ3-CB 3.85Å; W486-F530 AromaticContact CZ3-CD1 3.77Å; W486-F530 HydrophobicContact CZ3-CD1 3.77Å; W486-F530 HydrophobicContact CZ3-CD2 4.08Å; W486-F530 HydrophobicContact CZ3-CE1 4.32Å; W486-F530 AromaticContact CZ3-CG 3.63Å; W486-F530 HydrophobicContact CZ3-CG 3.63Å; L500-F530 HydrophobicContact CD1-CB 4.18Å; L500-F530 HydrophobicContact CD1-CD1 4.37Å; L500-F530 HydrophobicContact CD2-CB 4.42Å; L500-F530 HydrophobicContact CD2-CD1 4.12Å; I511-F530 HydrophobicContact CD1-CD1 3.99Å; I511-F530 HydrophobicContact CD1-CE1 3.82Å; I511-F530 HydrophobicContact CG1-CD1 3.99Å; I511-F530 HydrophobicContact CG1-CE1 3.47Å; I511-F530 VanDerWaalsContact CG1-CE1 3.47Å; I511-F530 HydrophobicContact CG1-CZ 4.24Å; T514-F530 HydrophobicContact CG2-CD2 3.78Å; T514-F530 HydrophobicContact CG2-CE2 3.92Å; T514-F530 HydrophobicContact CG2-CG 4.46Å; Y515-F530 HydrophobicContact CD2-CZ 4.09Å; V518-F530 HydrophobicContact CG2-CD2 4.31Å; V518-F530 HydrophobicContact CG2-CE2 3.81Å; A526-F530 WeakPolarHBondContact O-CD2 3.45Å; A526-F530 PolarHBondContact O-N 3.39Å; I527-F530 PolarHBondContact O-N 3.06Å; F530-K532 PolarHBondContact O-N 2.96Å; F530-L533 VanDerWaalsContact O-CB 3.32Å; F530-L533 WeakPolarHBondContact O-CB 3.43Å; F530-L533 PolarHBondContact O-N 3.02Å
531	L	86	Confident	74.9	Confident	45 Å²	45	70 Å²	70	24%	0.236	39%	0.391	C	S	.	.	H	α-helix	trans	-64.7	-26.2	174.4	-72.6	177.4	0	0	0	112.8	I492 D496 I527 L533 V534 S535	I492-L531 HydrophobicContact CB-CD2 4.32Å; I492-L531 HydrophobicContact CG2-CD1 4.29Å; I492-L531 HydrophobicContact CG2-CD2 3.88Å; I492-L531 HydrophobicContact CG2-CG 4.16Å; D496-L531 HydrophobicContact CB-CD2 3.84Å; I527-L531 HydrophobicContact CG2-CD1 3.81Å; I527-L531 HydrophobicContact CG2-CG 4.18Å; I527-L531 WeakPolarHBondContact O-CB 3.36Å; I527-L531 VanDerWaalsContact O-CG 3.32Å; I527-L531 WeakPolarHBondContact O-CG 3.18Å; I527-L531 PolarHBondContact O-N 3.23Å; L531-L533 VanDerWaalsContact C-N 3.35Å; L531-V534 HydrophobicContact CD2-CG2 4.23Å; L531-V534 VanDerWaalsContact O-CG2 3.31Å; L531-V534 WeakPolarHBondContact O-CG2 3.49Å; L531-V534 PolarHBondContact O-N 3.49Å; L531-S535 WeakPolarHBondContact O-CB 3.49Å; L531-S535 PolarHBondContact O-N 2.91Å; L531-S535 PolarHBondContact O-OG 2.89Å
532	K	83.7	Confident	75.6	Confident	126 Å²	126	65.2 Å²	65.2	55%	0.548	37%	0.371	S	S	.	.	H	α-helix	trans	-66.9	-32.8	170.6	-74.8	163.6	-169.6	169.8	0	112.6	S528 A529 F530 V534 S535 S536	S528-K532 WeakPolarHBondContact O-CD 3.22Å; S528-K532 VanDerWaalsContact O-CG 3.25Å; S528-K532 WeakPolarHBondContact O-CG 3.43Å; S528-K532 PolarHBondContact O-N 2.7Å; A529-K532 WeakPolarHBondContact O-CB 3.35Å; A529-K532 PolarHBondContact O-N 3.03Å; A529-K532 VanDerWaalsContact O-N 3.15Å; F530-K532 PolarHBondContact O-N 2.96Å; K532-V534 VanDerWaalsContact C-N 3.25Å; K532-V534 PolarHBondContact O-N 3.21Å; K532-S535 PolarHBondContact O-N 2.79Å; K532-S536 WeakPolarHBondContact O-CB 3.24Å; K532-S536 PolarHBondContact O-N 3.49Å; K532-S536 PolarHBondContact O-OG 3.12Å
533	L	78.9	Confident	76.2	Confident	26 Å²	26	62.3 Å²	62.3	14%	0.136	35%	0.353	C	S	.	.	H	α-helix	trans	-58.8	-37.8	175.8	-66.7	175.2	0	0	0	112.7	L500 M503 R510 I511 T514 A529 F530 L531	L500-L533 HydrophobicContact CD2-CB 4.44Å; L500-L533 HydrophobicContact CD2-CD1 4.45Å; M503-L533 HydrophobicContact CE-CB 4.17Å; M503-L533 HydrophobicContact CE-CD1 4.03Å; M503-L533 HydrophobicContact CE-CD2 4.37Å; M503-L533 HydrophobicContact CE-CG 4.45Å; M503-L533 HydrophobicContact SD-CB 4.2Å; R510-L533 HydrophobicContact CB-CD2 3.87Å; I511-L533 HydrophobicContact CB-CD1 4.03Å; I511-L533 HydrophobicContact CD1-CD1 4.34Å; I511-L533 HydrophobicContact CG1-CD1 3.92Å; T514-L533 HydrophobicContact CG2-CD1 4.16Å; T514-L533 HydrophobicContact CG2-CG 4.47Å; T514-L533 WeakPolarHBondContact OG1-CD2 3.42Å; A529-L533 PolarHBondContact O-N 3.37Å; F530-L533 VanDerWaalsContact O-CB 3.32Å; F530-L533 WeakPolarHBondContact O-CB 3.43Å; F530-L533 PolarHBondContact O-N 3.02Å; L531-L533 VanDerWaalsContact C-N 3.35Å
534	V	77	Confident	76.9	Confident	33 Å²	33	58.2 Å²	58.2	20%	0.2	34%	0.335	C	S	.	.	H	α-helix	trans	-92.2	-23.4	179.1	-64.1	0	0	0	0	113.5	D496 L499 L500 L531 K532	D496-V534 HydrophobicContact CB-CG2 4.18Å; L499-V534 HydrophobicContact CB-CB 4.48Å; L499-V534 HydrophobicContact CB-CG1 3.59Å; L499-V534 HydrophobicContact CD1-CB 4.2Å; L499-V534 HydrophobicContact CD1-CG1 4.18Å; L500-V534 HydrophobicContact CD2-CG1 3.84Å; L500-V534 HydrophobicContact CG-CG1 3.97Å; L531-V534 HydrophobicContact CD2-CG2 4.23Å; L531-V534 VanDerWaalsContact O-CG2 3.31Å; L531-V534 WeakPolarHBondContact O-CG2 3.49Å; L531-V534 PolarHBondContact O-N 3.49Å; K532-V534 VanDerWaalsContact C-N 3.25Å; K532-V534 PolarHBondContact O-N 3.21Å
535	S	63	Low	77.6	Confident	91 Å²	91	48.3 Å²	48.3	64%	0.636	30%	0.297	S	S	*	.	H	α-helix	trans	-84.4	-20.2	176	-56.4	0	0	0	0	113.8	L531 K532	L531-S535 WeakPolarHBondContact O-CB 3.49Å; L531-S535 PolarHBondContact O-N 2.91Å; L531-S535 PolarHBondContact O-OG 2.89Å; K532-S535 PolarHBondContact O-N 2.79Å
536	S	46.5	Very low	78.3	Confident	72 Å²	72	44.3 Å²	44.3	50%	0.503	28%	0.276	S	S	.	.	S	Bend	trans	-77.7	121.8	177.8	-77.1	0	0	0	0	110.9	K532 T538	K532-S536 WeakPolarHBondContact O-CB 3.24Å; K532-S536 PolarHBondContact O-N 3.49Å; K532-S536 PolarHBondContact O-OG 3.12Å; S536-T538 PolarHBondContact O-N 2.97Å
537	P	40.1	Very low	78.9	Confident	114 Å²	114	43.9 Å²	43.9	74%	0.74	27%	0.272	S	S	*	.	S	Bend	trans	-66.6	133.1	174.6	27.8	-33.5	0	0	0	110.4
538	T	45.6	Very low	79.4	Confident	100 Å²	100	43 Å²	43	61%	0.613	27%	0.268	S	S	*	.			trans	65.6	121.1	179	58.2	0	0	0	0	116.8	S536	S536-T538 PolarHBondContact O-N 2.97Å
539	S	48.1	Very low	80	Confident	47 Å²	47	40.7 Å²	40.7	33%	0.329	25%	0.251	S	S	.	.			trans	-50.4	139.5	143.1	169	0	0	0	0	109.2	G541	S539-G541 VanDerWaalsContact C-N 3.3Å; S539-G541 WeakPolarHBondContact CB-O 3.49Å; S539-G541 PolarHBondContact OG-N 3.11Å; S539-G541 PolarHBondContact OG-O 3.38Å
540	S	67.7	Low	80.6	Confident	122 Å²	122	40 Å²	40	85%	0.853	25%	0.245	S	C	*	.	S	Bend	trans	-65.7	-35.4	172.4	46.8	0	0	0	0	111.9
541	G	85.1	Confident	81	Confident	8 Å²	8	40 Å²	40	8%	0.082	24%	0.244	C	C	.	.	S	Bend	trans	-80.4	140	172.3	0	0	0	0	0	112.6	S539 G575	S539-G541 VanDerWaalsContact C-N 3.3Å; S539-G541 WeakPolarHBondContact CB-O 3.49Å; S539-G541 PolarHBondContact OG-N 3.11Å; S539-G541 PolarHBondContact OG-O 3.38Å; G541-G575 WeakPolarHBondContact CA-O 3.42Å
542	L	94.6	Very high	81.2	Confident	18 Å²	18	38.2 Å²	38.2	9%	0.094	24%	0.236	C	C	.	.			trans	-71.7	157.3	176.4	-59.3	176.4	0	0	0	111.6	V544 H576 L577 D672 I673	L542-V544 HydrophobicContact CB-CG2 4.15Å; L542-H576 WeakPolarHBondContact O-CA 3.45Å; L542-H576 WeakPolarHBondContact O-CB 3.46Å; L542-L577 PolarHBondContact O-N 2.89Å; L542-D672 HydrophobicContact CB-CB 4.17Å; L542-D672 HydrophobicContact CD2-CB 4.09Å; L542-I673 HydrophobicContact CD1-CG1 4.29Å
543	Y	97.1	Very high	81.5	Confident	27 Å²	27	33.2 Å²	33.2	11%	0.106	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	113.4	163.2	177.9	-157.3	0	0	0	110.1	V545 L577 E579 K669 P671 D672 I673	Y543-V545 HydrophobicContact CD2-CG2 4.29Å; Y543-V545 HydrophobicContact CE2-CG2 3.5Å; Y543-L577 WeakPolarHBondContact CA-O 3.25Å; Y543-L577 HydrophobicContact CD2-CB 4.15Å; Y543-L577 HydrophobicContact CD2-CD2 3.73Å; Y543-L577 HydrophobicContact CD2-CG 3.73Å; Y543-L577 HydrophobicContact CE2-CD2 4.08Å; Y543-L577 HydrophobicContact CE2-CG 4.16Å; Y543-L577 HydrophobicContact CG-CD2 4.05Å; Y543-L577 HydrophobicContact CG-CG 4.41Å; Y543-E579 HydrophobicContact CE2-CB 4.23Å; Y543-E579 HydrophobicContact CE2-CG 3.91Å; Y543-E579 VanDerWaalsContact OH-CD 3.31Å; Y543-E579 PolarHBondContact OH-OE2 3.09Å; Y543-K669 HydrophobicContact CE1-CB 4.07Å; Y543-K669 HydrophobicContact CE1-CD 4.21Å; Y543-K669 WeakPolarHBondContact OH-CD 3.42Å; Y543-K669 WeakPolarHBondContact OH-CG 3.46Å; Y543-K669 PolarHBondContact OH-NZ 2.63Å; Y543-P671 HydrophobicContact CD1-CB 3.83Å; Y543-P671 HydrophobicContact CE1-CB 3.94Å; Y543-P671 HydrophobicContact CE1-CG 4.5Å; Y543-P671 HydrophobicContact CG-CB 4.09Å; Y543-D672 PolarHBondContact N-OD2 3.41Å; Y543-D672 PolarHBondContact O-N 3.06Å; Y543-I673 PolarHBondContact O-N 3.19Å; Y543-I673 VanDerWaalsContact O-N 3.1Å
544	V	98.3	Very high	82.3	Confident	0 Å²	0	32 Å²	32	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.8	-175.6	-174.4	0	0	0	0	109.9	L542 L571 L577 V578 E579 I673 Y1026	L542-V544 HydrophobicContact CB-CG2 4.15Å; V544-L571 HydrophobicContact CG1-CD1 4.47Å; V544-L577 PolarHBondContact N-O 3.07Å; V544-V578 WeakPolarHBondContact O-CA 3.34Å; V544-E579 PolarHBondContact O-N 3.41Å; V544-I673 HydrophobicContact CB-CB 4.43Å; V544-I673 HydrophobicContact CG1-CB 4.14Å; V544-I673 HydrophobicContact CG1-CG2 4.06Å; V544-I673 HydrophobicContact CG2-CB 4.2Å; V544-I673 HydrophobicContact CG2-CG1 4.38Å; V544-Y1026 HydrophobicContact CG1-CE2 4.41Å; V544-Y1026 HydrophobicContact CG2-CD2 4.4Å; V544-Y1026 HydrophobicContact CG2-CE2 4.48Å
545	V	98.7	Very high	83.2	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.6	173.3	178.3	0	0	0	0	109.9	Y543 I547 E579 I581 L664 P671 I673 I674 H675	Y543-V545 HydrophobicContact CD2-CG2 4.29Å; Y543-V545 HydrophobicContact CE2-CG2 3.5Å; V545-I547 HydrophobicContact CG1-CG1 4.15Å; V545-E579 CarbonylContact C-O 3.47Å; V545-E579 VanDerWaalsContact CA-O 3.31Å; V545-E579 WeakPolarHBondContact CA-O 3.45Å; V545-E579 HydrophobicContact CG2-CB 4.46Å; V545-I581 HydrophobicContact CG1-CD1 3.68Å; V545-I581 HydrophobicContact CG1-CG1 3.92Å; V545-L664 HydrophobicContact CG1-CD1 4.25Å; V545-L664 HydrophobicContact CG1-CD2 4.27Å; V545-L664 HydrophobicContact CG2-CD2 4.02Å; V545-P671 HydrophobicContact CG2-CB 3.87Å; V545-P671 HydrophobicContact CG2-CG 4.11Å; V545-I673 PolarHBondContact N-O 2.71Å; V545-I674 CarbonylContact O-C 3.5Å; V545-I674 WeakPolarHBondContact O-CA 3.48Å; V545-H675 PolarHBondContact O-N 3.28Å
546	H	98.9	Very high	84.5	Confident	0 Å²	0	29 Å²	29	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132.6	169.2	-67.9	-98.1	0	0	0	110.2	E579 I580 I581 H675 H677	H546-E579 PolarHBondContact N-O 2.97Å; H546-I580 HydrophobicContact CB-CG1 4.25Å; H546-I580 HydrophobicContact CB-CG2 4.42Å; H546-I580 CarbonylContact O-C 3.52Å; H546-I580 WeakPolarHBondContact O-CA 3.36Å; H546-I581 PolarHBondContact O-N 2.89Å; H546-H675 CarbonylContact C-O 3.34Å; H546-H675 WeakPolarHBondContact CA-O 3.43Å; H546-H675 AromaticContact CE1-CG 3.83Å; H546-H675 AromaticContact CE1-ND1 3.31Å; H546-H675 PolarHBondContact CE1-ND1 2.78Å; H546-H675 VanDerWaalsContact CE1-ND1 3.31Å; H546-H675 AromaticContact ND1-CG 3.77Å; H546-H675 AromaticContact ND1-ND1 3.69Å; H546-H677 AromaticContact CE1-NE2 3.94Å; H546-H677 AromaticContact CG-NE2 3.91Å; H546-H677 AromaticContact ND1-CE1 3.72Å; H546-H677 AromaticContact ND1-NE2 2.97Å; H546-H677 PolarHBondContact ND1-NE2 2.95Å
547	I	98.9	Very high	86.3	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	114	172.4	-53.4	179.7	0	0	0	106.7	V545 I581 F656 A660 I674 H675 C676 H677 T681 V684	V545-I547 HydrophobicContact CG1-CG1 4.15Å; I547-I581 HydrophobicContact CD1-CD1 4.5Å; I547-I581 HydrophobicContact CG1-CB 4.37Å; I547-I581 HydrophobicContact CG1-CD1 4.27Å; I547-F656 HydrophobicContact CG2-CE1 3.79Å; I547-F656 HydrophobicContact CG2-CZ 3.93Å; I547-A660 HydrophobicContact CD1-CB 3.97Å; I547-A660 HydrophobicContact CG1-CB 4.49Å; I547-A660 HydrophobicContact CG2-CB 3.88Å; I547-I674 HydrophobicContact CD1-CG2 3.58Å; I547-I674 HydrophobicContact CG1-CG2 4.09Å; I547-H675 PolarHBondContact N-O 3.25Å; I547-C676 WeakPolarHBondContact O-CA 3.43Å; I547-H677 PolarHBondContact O-N 2.87Å; I547-T681 HydrophobicContact CG2-CG2 4.04Å; I547-T681 PolarHBondContact O-OG1 3.1Å; I547-V684 HydrophobicContact CD1-CG1 4.1Å; I547-V684 HydrophobicContact CD1-CG2 4.05Å; I547-V684 HydrophobicContact CG2-CG2 4.18Å
548	A	98.8	Very high	88.1	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.153	C	C	.	.			trans	-140.5	163.2	-172.6	0	0	0	0	0	111.8	E550 L560 V564 I581 L582 F656 H677	A548-E550 WeakPolarHBondContact CB-O 2.96Å; A548-L560 HydrophobicContact CB-CD2 4.41Å; A548-V564 HydrophobicContact CB-CG1 4.2Å; A548-V564 HydrophobicContact CB-CG2 3.77Å; A548-I581 PolarHBondContact N-O 3.45Å; A548-L582 HydrophobicContact CB-CD2 4.08Å; A548-L582 WeakPolarHBondContact O-CD2 3.29Å; A548-F656 VanDerWaalsContact O-CE1 3.27Å; A548-F656 WeakPolarHBondContact O-CE1 3.41Å; A548-F656 WeakPolarHBondContact O-CZ 3.42Å; A548-H677 HydrophobicContact CB-CB 4.47Å
549	A	98.5	Very high	90	Very high	1 Å²	1	21 Å²	21	1%	0.008	14%	0.14	C	C	.	.	S	Bend	trans	-91.2	-15.4	169.2	0	0	0	0	0	112.9	Y585 Y644 F653 Q680	A549-Y585 VanDerWaalsContact O-CE2 3.29Å; A549-Y585 WeakPolarHBondContact O-CE2 3.21Å; A549-Y585 PolarHBondContact O-OH 2.96Å; A549-Y644 HydrophobicContact CB-CE1 3.77Å; A549-Y644 WeakPolarHBondContact CB-OH 3.28Å; A549-F653 HydrophobicContact CB-CD1 4.26Å; A549-F653 HydrophobicContact CB-CE1 3.74Å; A549-F653 HydrophobicContact CB-CZ 4.39Å; A549-Q680 HydrophobicContact CB-CB 4.03Å; A549-Q680 HydrophobicContact CB-CG 4.08Å
550	E	98.1	Very high	92	Very high	9 Å²	9	19.5 Å²	19.5	4%	0.042	13%	0.128	C	C	.	.			trans	-134.3	154.8	177.4	-72.3	166.3	-106.4	0	0	111.3	A548 A555 V557 G558 L560 Y644	A548-E550 WeakPolarHBondContact CB-O 2.96Å; E550-A555 CarbonylContact C-O 3.53Å; E550-A555 WeakPolarHBondContact CA-O 3.15Å; E550-A555 WeakPolarHBondContact CB-O 3.48Å; E550-A555 WeakPolarHBondContact CG-O 3.33Å; E550-V557 WeakPolarHBondContact OE2-CA 3.36Å; E550-V557 PolarHBondContact OE2-N 2.87Å; E550-G558 PolarHBondContact OE2-N 3.15Å; E550-L560 HydrophobicContact CB-CD2 3.79Å; E550-Y644 HydrophobicContact CG-CE2 4.34Å; E550-Y644 WeakPolarHBondContact CG-OH 3.38Å; E550-Y644 WeakPolarHBondContact OE1-CE2 3.32Å; E550-Y644 PolarHBondContact OE1-OH 2.65Å
551	M	97.1	Very high	93.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-152.8	129.9	163.7	179.2	-170.9	170	0	0	107.4	P553 V554 A555 V564 A565 I580 L582 V621 L624 V626	M551-P553 CarbonylContact O-C 3.56Å; M551-V554 HydrophobicContact CB-CG1 4.1Å; M551-V554 HydrophobicContact CG-CG1 4.38Å; M551-V554 WeakPolarHBondContact O-CG1 3.16Å; M551-V554 PolarHBondContact O-N 2.93Å; M551-V554 HydrophobicContact SD-CG1 4.35Å; M551-A555 CarbonylContact C-O 3.54Å; M551-A555 PolarHBondContact N-O 3.44Å; M551-A555 CarbonylContact O-C 3.53Å; M551-A555 PolarHBondContact O-N 3.15Å; M551-A555 VanDerWaalsContact O-O 3.06Å; M551-V564 HydrophobicContact CB-CG1 4.1Å; M551-V564 HydrophobicContact CG-CG1 4.16Å; M551-A565 HydrophobicContact CE-CB 4.35Å; M551-A565 HydrophobicContact CG-CB 4.14Å; M551-I580 HydrophobicContact CE-CD1 3.86Å; M551-I580 HydrophobicContact CG-CD1 4.35Å; M551-I580 HydrophobicContact SD-CB 4.41Å; M551-I580 HydrophobicContact SD-CD1 3.64Å; M551-I580 HydrophobicContact SD-CG2 4.15Å; M551-L582 HydrophobicContact CB-CD1 3.6Å; M551-L582 HydrophobicContact CB-CD2 4.08Å; M551-L582 HydrophobicContact CB-CG 4.42Å; M551-L582 HydrophobicContact SD-CD1 4.26Å; M551-V621 HydrophobicContact CE-CB 3.74Å; M551-V621 HydrophobicContact CE-CG1 3.72Å; M551-V621 HydrophobicContact SD-CB 4.32Å; M551-V621 HydrophobicContact SD-CG1 4.36Å; M551-L624 HydrophobicContact CE-CB 3.93Å; M551-L624 HydrophobicContact CE-CD1 3.67Å; M551-L624 HydrophobicContact CE-CG 4.46Å; M551-V626 HydrophobicContact CE-CG2 4.13Å; M551-V626 HydrophobicContact SD-CG2 3.63Å
552	A	90.3	Very high	93.4	Very high	8 Å²	8	15.3 Å²	15.3	7%	0.066	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	146.1	173.7	0	0	0	0	0	111.1	K556 G561 D562 A565	A552-K556 HydrophobicContact CB-CD 3.98Å; A552-G561 VanDerWaalsContact N-C 3.3Å; A552-G561 PolarHBondContact N-O 2.83Å; A552-D562 VanDerWaalsContact CB-OD1 3.3Å; A552-D562 WeakPolarHBondContact CB-OD1 3.37Å; A552-A565 HydrophobicContact CB-CB 4.13Å; A552-A565 WeakPolarHBondContact O-CB 3.18Å
553	P	90.1	Very high	93.4	Very high	21 Å²	21	14.5 Å²	14.5	14%	0.136	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83.1	-15.6	-14.2	33.7	-36.3	0	0	0	112.8	M551 A555 R592 E622	M551-P553 CarbonylContact O-C 3.56Å; P553-A555 VanDerWaalsContact C-N 3.33Å; P553-A555 PolarHBondContact O-N 2.83Å; P553-R592 HydrophobicContact CB-CG 4.33Å; P553-R592 HydrophobicContact CG-CB 3.77Å; P553-R592 HydrophobicContact CG-CG 3.8Å; P553-E622 VanDerWaalsContact CD-OE1 3.27Å; P553-E622 WeakPolarHBondContact CD-OE1 3.39Å
554	V	95.5	Very high	93.3	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-37.8	-166.9	63.4	0	0	0	0	115	M551 L582 M588 Q589 V593 V621 F628	M551-V554 HydrophobicContact CB-CG1 4.1Å; M551-V554 HydrophobicContact CG-CG1 4.38Å; M551-V554 WeakPolarHBondContact O-CG1 3.16Å; M551-V554 PolarHBondContact O-N 2.93Å; M551-V554 HydrophobicContact SD-CG1 4.35Å; V554-L582 HydrophobicContact CG1-CD1 4Å; V554-M588 HydrophobicContact CG2-CB 4.32Å; V554-M588 HydrophobicContact CG2-CE 3.53Å; V554-M588 CarbonylContact O-C 3.56Å; V554-M588 WeakPolarHBondContact O-CA 3.4Å; V554-M588 WeakPolarHBondContact O-CB 3.23Å; V554-Q589 PolarHBondContact O-N 3.42Å; V554-V593 HydrophobicContact CB-CG2 4.36Å; V554-V593 HydrophobicContact CG2-CG2 3.48Å; V554-V593 VanDerWaalsContact CG2-CG2 3.48Å; V554-V621 HydrophobicContact CB-CG1 4.13Å; V554-V621 HydrophobicContact CB-CG2 4.22Å; V554-V621 HydrophobicContact CG1-CG1 4.04Å; V554-V621 HydrophobicContact CG1-CG2 4.17Å; V554-F628 HydrophobicContact CG1-CE1 4.31Å; V554-F628 HydrophobicContact CG2-CE1 3.83Å; V554-F628 HydrophobicContact CG2-CZ 4.1Å
555	A	95.6	Very high	93.1	Very high	2 Å²	2	13.3 Å²	13.3	2%	0.017	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-146	93.2	179.3	0	0	0	0	0	108.9	E550 M551 P553 Y585 F643	E550-A555 CarbonylContact C-O 3.53Å; E550-A555 WeakPolarHBondContact CA-O 3.15Å; E550-A555 WeakPolarHBondContact CB-O 3.48Å; E550-A555 WeakPolarHBondContact CG-O 3.33Å; M551-A555 CarbonylContact C-O 3.54Å; M551-A555 PolarHBondContact N-O 3.44Å; M551-A555 CarbonylContact O-C 3.53Å; M551-A555 PolarHBondContact O-N 3.15Å; M551-A555 VanDerWaalsContact O-O 3.06Å; P553-A555 VanDerWaalsContact C-N 3.33Å; P553-A555 PolarHBondContact O-N 2.83Å; A555-Y585 HydrophobicContact CB-CD2 4.11Å; A555-Y585 HydrophobicContact CB-CE2 4.14Å; A555-F643 HydrophobicContact CB-CD1 4.31Å; A555-F643 HydrophobicContact CB-CE1 3.65Å; A555-F643 HydrophobicContact CB-CZ 4.34Å
556	K	90.2	Very high	92.8	Very high	60 Å²	60	13.3 Å²	13.3	26%	0.261	9%	0.086	S	C	.	.			trans	-133.5	131.8	-170.2	179	176	173.2	170.1	0	111.7	A552 D562	A552-K556 HydrophobicContact CB-CD 3.98Å; K556-D562 WeakPolarHBondContact CE-OD1 3.15Å; K556-D562 WeakPolarHBondContact CE-OD2 3.3Å; K556-D562 VanDerWaalsContact NZ-CG 3.32Å; K556-D562 IonicContact NZ-OD1 3Å; K556-D562 PolarHBondContact NZ-OD1 3.46Å; K556-D562 IonicContact NZ-OD2 3.69Å; K556-D562 PolarHBondContact NZ-OD2 3.22Å
557	V	84.4	Confident	92.6	Very high	64 Å²	64	13.3 Å²	13.3	39%	0.388	9%	0.086	S	C	.	.	S	Bend	trans	-121.8	-28.1	170.5	-177	0	0	0	0	110.4	E550 F643 Y644	E550-V557 WeakPolarHBondContact OE2-CA 3.36Å; E550-V557 PolarHBondContact OE2-N 2.87Å; V557-F643 HydrophobicContact CG2-CB 3.63Å; V557-F643 HydrophobicContact CG2-CD2 3.54Å; V557-F643 HydrophobicContact CG2-CE2 4.46Å; V557-F643 HydrophobicContact CG2-CG 3.8Å; V557-Y644 HydrophobicContact CB-CD2 4.26Å; V557-Y644 HydrophobicContact CB-CE2 4Å; V557-Y644 HydrophobicContact CG1-CD2 4.21Å; V557-Y644 HydrophobicContact CG1-CE2 4.36Å; V557-Y644 HydrophobicContact CG2-CD2 3.89Å; V557-Y644 HydrophobicContact CG2-CE2 3.82Å
558	G	78.6	Confident	92.5	Very high	21 Å²	21	13.3 Å²	13.3	22%	0.216	9%	0.086	C	C	.	.	S	Bend	trans	-168.7	-154.9	172.5	0	0	0	0	0	113.2	E550 L560 G561	E550-G558 PolarHBondContact OE2-N 3.15Å; G558-L560 PolarHBondContact O-N 2.97Å; G558-G561 PolarHBondContact O-N 3.22Å
559	G	84.6	Confident	92.2	Very high	33 Å²	33	14.5 Å²	14.5	34%	0.34	9%	0.091	S	C	.	.	H	α-helix	trans	-63.6	-10.4	-173.1	0	0	0	0	0	116	D562 V563	G559-D562 PolarHBondContact O-N 2.58Å; G559-V563 VanDerWaalsContact O-CG2 3.25Å; G559-V563 WeakPolarHBondContact O-CG2 3.35Å; G559-V563 PolarHBondContact O-N 3.49Å
560	L	92	Very high	91.9	Very high	15 Å²	15	14.8 Å²	14.8	8%	0.079	9%	0.094	C	C	.	.	H	α-helix	trans	-64.1	-46.9	173.5	-170	151.6	0	0	0	110.3	A548 E550 G558 D562 V563 V564 H677 D678	A548-L560 HydrophobicContact CB-CD2 4.41Å; E550-L560 HydrophobicContact CB-CD2 3.79Å; G558-L560 PolarHBondContact O-N 2.97Å; L560-D562 VanDerWaalsContact C-N 3.32Å; L560-D562 PolarHBondContact O-N 3.39Å; L560-V563 PolarHBondContact O-N 2.98Å; L560-V564 HydrophobicContact CD2-CG2 4.06Å; L560-V564 WeakPolarHBondContact O-CG2 3.39Å; L560-V564 PolarHBondContact O-N 3.35Å; L560-H677 HydrophobicContact CD1-CB 4.41Å; L560-H677 HydrophobicContact CD2-CB 4.31Å; L560-D678 HydrophobicContact CD1-CB 3.81Å; L560-D678 WeakPolarHBondContact CD1-OD2 3.44Å
561	G	92.2	Very high	91.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.5	-38.6	175.5	0	0	0	0	0	112.9	A552 G558 V564 A565	A552-G561 VanDerWaalsContact N-C 3.3Å; A552-G561 PolarHBondContact N-O 2.83Å; G558-G561 PolarHBondContact O-N 3.22Å; G561-V564 PolarHBondContact O-N 3.22Å; G561-A565 PolarHBondContact O-N 2.74Å; G561-A565 VanDerWaalsContact O-N 3.08Å
562	D	89.9	Confident	91.6	Very high	43 Å²	43	16.4 Å²	16.4	23%	0.23	10%	0.101	C	C	.	.	H	α-helix	trans	-65.3	-40.1	177.6	-63.7	-44.7	0	0	0	111.9	A552 K556 G559 L560 G566 L933	A552-D562 VanDerWaalsContact CB-OD1 3.3Å; A552-D562 WeakPolarHBondContact CB-OD1 3.37Å; K556-D562 WeakPolarHBondContact CE-OD1 3.15Å; K556-D562 WeakPolarHBondContact CE-OD2 3.3Å; K556-D562 VanDerWaalsContact NZ-CG 3.32Å; K556-D562 IonicContact NZ-OD1 3Å; K556-D562 PolarHBondContact NZ-OD1 3.46Å; K556-D562 IonicContact NZ-OD2 3.69Å; K556-D562 PolarHBondContact NZ-OD2 3.22Å; G559-D562 PolarHBondContact O-N 2.58Å; L560-D562 VanDerWaalsContact C-N 3.32Å; L560-D562 PolarHBondContact O-N 3.39Å; D562-G566 PolarHBondContact O-N 2.88Å; D562-L933 HydrophobicContact CB-CD1 4.18Å
563	V	93	Very high	91.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-67	-43.3	174.8	170.3	0	0	0	0	111.6	G559 L560 A565 G566 L567 N794 W1015	G559-V563 VanDerWaalsContact O-CG2 3.25Å; G559-V563 WeakPolarHBondContact O-CG2 3.35Å; G559-V563 PolarHBondContact O-N 3.49Å; L560-V563 PolarHBondContact O-N 2.98Å; V563-A565 PolarHBondContact O-N 3.33Å; V563-G566 PolarHBondContact O-N 2.67Å; V563-L567 WeakPolarHBondContact O-CB 3.14Å; V563-L567 PolarHBondContact O-N 3.38Å; V563-N794 HydrophobicContact CG2-CB 4.3Å; V563-N794 VanDerWaalsContact CG2-ND2 3.26Å; V563-N794 WeakPolarHBondContact CG2-ND2 3.47Å; V563-W1015 HydrophobicContact CB-CH2 4.19Å; V563-W1015 HydrophobicContact CB-CZ2 4.17Å; V563-W1015 HydrophobicContact CG1-CH2 3.69Å; V563-W1015 HydrophobicContact CG1-CZ2 4.14Å; V563-W1015 HydrophobicContact CG2-CH2 3.96Å; V563-W1015 HydrophobicContact CG2-CZ2 3.88Å
564	V	96.7	Very high	91.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.8	-43.9	-180	169.8	0	0	0	0	111	A548 M551 L560 G561 G568 I580	A548-V564 HydrophobicContact CB-CG1 4.2Å; A548-V564 HydrophobicContact CB-CG2 3.77Å; M551-V564 HydrophobicContact CB-CG1 4.1Å; M551-V564 HydrophobicContact CG-CG1 4.16Å; L560-V564 HydrophobicContact CD2-CG2 4.06Å; L560-V564 WeakPolarHBondContact O-CG2 3.39Å; L560-V564 PolarHBondContact O-N 3.35Å; G561-V564 PolarHBondContact O-N 3.22Å; V564-G568 PolarHBondContact O-N 3.15Å; V564-G568 VanDerWaalsContact O-N 3.13Å; V564-I580 HydrophobicContact CG1-CD1 4.02Å; V564-I580 HydrophobicContact CG1-CG2 4.11Å
565	A	93.5	Very high	91.2	Very high	2 Å²	2	28 Å²	28	2%	0.017	16%	0.158	C	C	.	.	H	α-helix	trans	-70.9	-46.3	176	0	0	0	0	0	112.6	M551 A552 G561 V563 G568 K569	M551-A565 HydrophobicContact CE-CB 4.35Å; M551-A565 HydrophobicContact CG-CB 4.14Å; A552-A565 HydrophobicContact CB-CB 4.13Å; A552-A565 WeakPolarHBondContact O-CB 3.18Å; G561-A565 PolarHBondContact O-N 2.74Å; G561-A565 VanDerWaalsContact O-N 3.08Å; V563-A565 PolarHBondContact O-N 3.33Å; A565-G568 PolarHBondContact O-N 2.87Å; A565-K569 WeakPolarHBondContact O-CB 3.46Å; A565-K569 WeakPolarHBondContact O-CE 3.43Å; A565-K569 WeakPolarHBondContact O-CG 3.42Å; A565-K569 PolarHBondContact O-N 2.92Å
566	G	92.1	Very high	91.2	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-67.3	-46.6	-176.5	0	0	0	0	0	113.7	D562 V563 A570	D562-G566 PolarHBondContact O-N 2.88Å; V563-G566 PolarHBondContact O-N 2.67Å; G566-A570 WeakPolarHBondContact O-CB 3.47Å; G566-A570 PolarHBondContact O-N 3.18Å
567	L	95.2	Very high	91.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.2	-40.8	174	-178.6	59.3	0	0	0	110.9	V563 A570 L571 W1015 A1019 Y1022	V563-L567 WeakPolarHBondContact O-CB 3.14Å; V563-L567 PolarHBondContact O-N 3.38Å; L567-A570 PolarHBondContact O-N 3.23Å; L567-L571 HydrophobicContact CD1-CD1 4.02Å; L567-L571 HydrophobicContact CD1-CG 4.06Å; L567-L571 HydrophobicContact CG-CD1 3.87Å; L567-L571 HydrophobicContact CG-CG 4.35Å; L567-L571 VanDerWaalsContact O-CG 3.28Å; L567-L571 WeakPolarHBondContact O-CG 3.41Å; L567-L571 PolarHBondContact O-N 2.81Å; L567-W1015 HydrophobicContact CB-CD2 4.48Å; L567-W1015 HydrophobicContact CB-CE3 4.01Å; L567-W1015 HydrophobicContact CB-CH2 4.39Å; L567-W1015 HydrophobicContact CB-CZ3 3.96Å; L567-W1015 HydrophobicContact CD1-CE3 4Å; L567-W1015 HydrophobicContact CD1-CZ3 4.15Å; L567-W1015 HydrophobicContact CG-CZ3 4.47Å; L567-A1019 HydrophobicContact CD1-CB 3.9Å; L567-Y1022 HydrophobicContact CD1-CD2 3.76Å; L567-Y1022 HydrophobicContact CD1-CE2 4.45Å; L567-Y1022 HydrophobicContact CD1-CG 4.13Å; L567-Y1022 HydrophobicContact CD2-CD1 4.26Å; L567-Y1022 HydrophobicContact CD2-CD2 3.92Å; L567-Y1022 HydrophobicContact CD2-CE1 4.34Å; L567-Y1022 HydrophobicContact CD2-CE2 4.03Å; L567-Y1022 HydrophobicContact CD2-CG 4.07Å
568	G	95.5	Very high	92	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-56.6	-54	175.2	0	0	0	0	0	112.2	V564 A565 A570 L571 Q572	V564-G568 PolarHBondContact O-N 3.15Å; V564-G568 VanDerWaalsContact O-N 3.13Å; A565-G568 PolarHBondContact O-N 2.87Å; G568-A570 VanDerWaalsContact C-N 3.29Å; G568-A570 PolarHBondContact O-N 3.14Å; G568-L571 PolarHBondContact O-N 2.63Å; G568-Q572 WeakPolarHBondContact O-CB 3.42Å; G568-Q572 PolarHBondContact O-N 3.5Å
569	K	92.8	Very high	92.9	Very high	24 Å²	24	24.9 Å²	24.9	10%	0.104	14%	0.136	C	C	.	.	H	α-helix	trans	-59.1	-37.8	176.4	-79.3	175.9	-77.2	-177.9	0	112.2	A565 R573 E622 L624 D797	A565-K569 WeakPolarHBondContact O-CB 3.46Å; A565-K569 WeakPolarHBondContact O-CE 3.43Å; A565-K569 WeakPolarHBondContact O-CG 3.42Å; A565-K569 PolarHBondContact O-N 2.92Å; K569-R573 WeakPolarHBondContact O-CB 3.19Å; K569-R573 VanDerWaalsContact O-CG 3.29Å; K569-R573 WeakPolarHBondContact O-CG 3.41Å; K569-R573 PolarHBondContact O-N 3.42Å; K569-R573 PolarHBondContact O-NE 2.81Å; K569-E622 HydrophobicContact CD-CB 4.21Å; K569-E622 IonicContact NZ-OE2 3.55Å; K569-E622 PolarHBondContact NZ-OE2 3.16Å; K569-L624 HydrophobicContact CG-CD1 3.79Å; K569-L624 HydrophobicContact CG-CG 4.22Å; K569-D797 WeakPolarHBondContact CE-OD2 3.48Å; K569-D797 IonicContact NZ-OD2 2.63Å; K569-D797 PolarHBondContact NZ-OD2 3.26Å
570	A	92.4	Very high	93.6	Very high	8 Å²	8	23.3 Å²	23.3	7%	0.066	12%	0.12	C	C	.	.	H	α-helix	trans	-69.9	-36.2	178.1	0	0	0	0	0	113.5	G566 L567 G568 K574 W1015 A1019	G566-A570 WeakPolarHBondContact O-CB 3.47Å; G566-A570 PolarHBondContact O-N 3.18Å; L567-A570 PolarHBondContact O-N 3.23Å; G568-A570 VanDerWaalsContact C-N 3.29Å; G568-A570 PolarHBondContact O-N 3.14Å; A570-K574 WeakPolarHBondContact O-CG 3.3Å; A570-K574 PolarHBondContact O-N 2.78Å; A570-W1015 HydrophobicContact CB-CB 3.52Å; A570-W1015 HydrophobicContact CB-CG 4.42Å; A570-A1019 HydrophobicContact CB-CB 3.57Å
571	L	94.6	Very high	93.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-72.7	-38.2	173.9	-66.3	168.4	0	0	0	111.5	V544 L567 G568 K574 H576 V578 A1019 Y1026	V544-L571 HydrophobicContact CG1-CD1 4.47Å; L567-L571 HydrophobicContact CD1-CD1 4.02Å; L567-L571 HydrophobicContact CD1-CG 4.06Å; L567-L571 HydrophobicContact CG-CD1 3.87Å; L567-L571 HydrophobicContact CG-CG 4.35Å; L567-L571 VanDerWaalsContact O-CG 3.28Å; L567-L571 WeakPolarHBondContact O-CG 3.41Å; L567-L571 PolarHBondContact O-N 2.81Å; G568-L571 PolarHBondContact O-N 2.63Å; L571-K574 CarbonylContact O-C 3.55Å; L571-K574 WeakPolarHBondContact O-CA 3.29Å; L571-K574 WeakPolarHBondContact O-CB 3.28Å; L571-K574 PolarHBondContact O-N 2.72Å; L571-K574 VanDerWaalsContact O-N 3.12Å; L571-H576 HydrophobicContact CB-CB 4.49Å; L571-H576 WeakPolarHBondContact O-CB 3.32Å; L571-H576 PolarHBondContact O-N 2.74Å; L571-V578 HydrophobicContact CB-CG2 3.75Å; L571-A1019 HydrophobicContact CD2-CB 4.49Å; L571-Y1026 HydrophobicContact CD1-CE2 3.83Å; L571-Y1026 HydrophobicContact CD2-CE2 4.05Å
572	Q	93.5	Very high	94.3	Very high	43 Å²	43	22.7 Å²	22.7	20%	0.201	12%	0.117	C	C	.	.	H	α-helix	trans	-62.1	-44.9	173.6	-173.9	175.8	4.6	0	0	111.2	G568 K574 G575 V578 G623 L624	G568-Q572 WeakPolarHBondContact O-CB 3.42Å; G568-Q572 PolarHBondContact O-N 3.5Å; Q572-K574 PolarHBondContact O-N 2.69Å; Q572-G575 WeakPolarHBondContact O-CA 3.37Å; Q572-G575 PolarHBondContact O-N 2.81Å; Q572-V578 HydrophobicContact CB-CB 4.47Å; Q572-V578 HydrophobicContact CB-CG2 4.1Å; Q572-G623 PolarHBondContact NE2-O 3.04Å; Q572-G623 PolarHBondContact OE1-O 3.23Å; Q572-L624 HydrophobicContact CB-CD2 4.43Å
573	R	90.3	Very high	94.7	Very high	151 Å²	151	20.7 Å²	20.7	57%	0.57	11%	0.106	S	C	*	.	H	α-helix	trans	-63.5	-20.2	173.4	-73.5	-176.5	-73.2	-153.8	4.5	113.9	K569 G575 D799	K569-R573 WeakPolarHBondContact O-CB 3.19Å; K569-R573 VanDerWaalsContact O-CG 3.29Å; K569-R573 WeakPolarHBondContact O-CG 3.41Å; K569-R573 PolarHBondContact O-N 3.42Å; K569-R573 PolarHBondContact O-NE 2.81Å; R573-G575 VanDerWaalsContact C-N 3.26Å; R573-D799 IonicContact CZ-OD2 3.82Å; R573-D799 IonicContact NH1-OD2 3.81Å; R573-D799 PolarHBondContact NH1-OD2 3.27Å; R573-D799 IonicContact NH2-OD2 3.91Å
574	K	90.3	Very high	94.9	Very high	71 Å²	71	21.6 Å²	21.6	31%	0.309	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	9.9	168.7	-76.3	169.4	162.5	-74.8	0	113.6	A570 L571 Q572 H576 A1019 T1020 E1023	A570-K574 WeakPolarHBondContact O-CG 3.3Å; A570-K574 PolarHBondContact O-N 2.78Å; L571-K574 CarbonylContact O-C 3.55Å; L571-K574 WeakPolarHBondContact O-CA 3.29Å; L571-K574 WeakPolarHBondContact O-CB 3.28Å; L571-K574 PolarHBondContact O-N 2.72Å; L571-K574 VanDerWaalsContact O-N 3.12Å; Q572-K574 PolarHBondContact O-N 2.69Å; K574-H576 VanDerWaalsContact C-N 3.32Å; K574-H576 PolarHBondContact O-N 2.62Å; K574-H576 PolarHBondContact O-ND1 2.8Å; K574-A1019 HydrophobicContact CD-CB 4.41Å; K574-T1020 WeakPolarHBondContact CE-OG1 3.49Å; K574-T1020 PolarHBondContact NZ-OG1 3.34Å; K574-E1023 WeakPolarHBondContact CD-OE2 3.48Å; K574-E1023 WeakPolarHBondContact CE-OE2 3.33Å; K574-E1023 IonicContact NZ-OE2 3.94Å; K574-E1023 PolarHBondContact NZ-OE2 3.23Å
575	G	88.7	Confident	95	Very high	50 Å²	50	21.7 Å²	21.7	52%	0.515	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	17	178	0	0	0	0	0	114.5	G541 Q572 R573	G541-G575 WeakPolarHBondContact CA-O 3.42Å; Q572-G575 WeakPolarHBondContact O-CA 3.37Å; Q572-G575 PolarHBondContact O-N 2.81Å; R573-G575 VanDerWaalsContact C-N 3.26Å
576	H	94.2	Very high	95.2	Very high	11 Å²	11	24 Å²	24	5%	0.051	12%	0.122	C	C	.	.			trans	-80.9	144.5	171.1	-59	6.1	0	0	0	110.2	L542 L571 K574 V578 E1023	L542-H576 WeakPolarHBondContact O-CA 3.45Å; L542-H576 WeakPolarHBondContact O-CB 3.46Å; L571-H576 HydrophobicContact CB-CB 4.49Å; L571-H576 WeakPolarHBondContact O-CB 3.32Å; L571-H576 PolarHBondContact O-N 2.74Å; K574-H576 VanDerWaalsContact C-N 3.32Å; K574-H576 PolarHBondContact O-N 2.62Å; K574-H576 PolarHBondContact O-ND1 2.8Å; H576-V578 HydrophobicContact CB-CG2 4.26Å; H576-V578 PolarHBondContact O-N 2.91Å; H576-E1023 IonicContact CE1-OE1 3.21Å; H576-E1023 PolarHBondContact CE1-OE1 2.61Å; H576-E1023 VanDerWaalsContact CE1-OE1 3.28Å; H576-E1023 IonicContact NE2-OE1 3.67Å
577	L	95.1	Very high	95.3	Very high	56 Å²	56	25.7 Å²	25.7	29%	0.293	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	110.3	166.4	176.2	60.5	0	0	0	107.7	L542 Y543 V544	L542-L577 PolarHBondContact O-N 2.89Å; Y543-L577 WeakPolarHBondContact CA-O 3.25Å; Y543-L577 HydrophobicContact CD2-CB 4.15Å; Y543-L577 HydrophobicContact CD2-CD2 3.73Å; Y543-L577 HydrophobicContact CD2-CG 3.73Å; Y543-L577 HydrophobicContact CE2-CD2 4.08Å; Y543-L577 HydrophobicContact CE2-CG 4.16Å; Y543-L577 HydrophobicContact CG-CD2 4.05Å; Y543-L577 HydrophobicContact CG-CG 4.41Å; V544-L577 PolarHBondContact N-O 3.07Å
578	V	97.2	Very high	95.4	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.018	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.2	177.6	-174.4	0	0	0	0	109.1	V544 L571 Q572 H576 L624 P625	V544-V578 WeakPolarHBondContact O-CA 3.34Å; L571-V578 HydrophobicContact CB-CG2 3.75Å; Q572-V578 HydrophobicContact CB-CB 4.47Å; Q572-V578 HydrophobicContact CB-CG2 4.1Å; H576-V578 HydrophobicContact CB-CG2 4.26Å; H576-V578 PolarHBondContact O-N 2.91Å; V578-L624 HydrophobicContact CB-CD2 3.88Å; V578-L624 HydrophobicContact CG1-CD2 3.63Å; V578-P625 WeakPolarHBondContact O-CD 3.26Å
579	E	98.1	Very high	95.2	Very high	12 Å²	12	30 Å²	30	6%	0.056	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147	168.8	-66.4	179.4	179.7	0	0	109.6	Y543 V544 V545 H546 P625 H627 K669	Y543-E579 HydrophobicContact CE2-CB 4.23Å; Y543-E579 HydrophobicContact CE2-CG 3.91Å; Y543-E579 VanDerWaalsContact OH-CD 3.31Å; Y543-E579 PolarHBondContact OH-OE2 3.09Å; V544-E579 PolarHBondContact O-N 3.41Å; V545-E579 CarbonylContact C-O 3.47Å; V545-E579 VanDerWaalsContact CA-O 3.31Å; V545-E579 WeakPolarHBondContact CA-O 3.45Å; V545-E579 HydrophobicContact CG2-CB 4.46Å; H546-E579 PolarHBondContact N-O 2.97Å; E579-P625 HydrophobicContact CG-CB 4.44Å; E579-H627 IonicContact OE2-CE1 3.86Å; E579-K669 IonicContact OE1-NZ 2.59Å; E579-K669 PolarHBondContact OE1-NZ 3Å; E579-K669 IonicContact OE2-NZ 2.69Å; E579-K669 PolarHBondContact OE2-NZ 3.37Å
580	I	98.7	Very high	95.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	136.8	-179	-53.4	-174.2	0	0	0	109.6	H546 M551 V564 L582 L624 P625 V626 H627	H546-I580 HydrophobicContact CB-CG1 4.25Å; H546-I580 HydrophobicContact CB-CG2 4.42Å; H546-I580 CarbonylContact O-C 3.52Å; H546-I580 WeakPolarHBondContact O-CA 3.36Å; M551-I580 HydrophobicContact CE-CD1 3.86Å; M551-I580 HydrophobicContact CG-CD1 4.35Å; M551-I580 HydrophobicContact SD-CB 4.41Å; M551-I580 HydrophobicContact SD-CD1 3.64Å; M551-I580 HydrophobicContact SD-CG2 4.15Å; V564-I580 HydrophobicContact CG1-CD1 4.02Å; V564-I580 HydrophobicContact CG1-CG2 4.11Å; I580-L582 HydrophobicContact CG2-CD2 4.03Å; I580-L582 HydrophobicContact CG2-CG 4.03Å; I580-L624 HydrophobicContact CD1-CB 4.23Å; I580-L624 HydrophobicContact CD1-CD1 3.8Å; I580-L624 HydrophobicContact CD1-CD2 4.33Å; I580-L624 HydrophobicContact CD1-CG 4.36Å; I580-P625 PolarHBondContact N-O 2.59Å; I580-V626 HydrophobicContact CB-CG1 4.48Å; I580-V626 HydrophobicContact CB-CG2 4.41Å; I580-V626 CarbonylContact O-C 3.6Å; I580-V626 WeakPolarHBondContact O-CA 3.37Å; I580-H627 PolarHBondContact O-N 3.43Å
581	I	98.8	Very high	95.4	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.7	174.5	-53.5	176.8	0	0	0	108.6	V545 H546 I547 A548 H627 I629 F656 A660 L663 L664	V545-I581 HydrophobicContact CG1-CD1 3.68Å; V545-I581 HydrophobicContact CG1-CG1 3.92Å; H546-I581 PolarHBondContact O-N 2.89Å; I547-I581 HydrophobicContact CD1-CD1 4.5Å; I547-I581 HydrophobicContact CG1-CB 4.37Å; I547-I581 HydrophobicContact CG1-CD1 4.27Å; A548-I581 PolarHBondContact N-O 3.45Å; I581-H627 WeakPolarHBondContact CA-O 3.4Å; I581-H627 HydrophobicContact CG1-CB 4.4Å; I581-I629 HydrophobicContact CG2-CD1 3.65Å; I581-I629 HydrophobicContact CG2-CG1 4.01Å; I581-F656 HydrophobicContact CG2-CE2 3.96Å; I581-F656 HydrophobicContact CG2-CZ 4.11Å; I581-A660 HydrophobicContact CD1-CB 4.3Å; I581-A660 HydrophobicContact CG2-CB 3.81Å; I581-L663 HydrophobicContact CD1-CD2 4.15Å; I581-L663 HydrophobicContact CG1-CD2 4.41Å; I581-L663 HydrophobicContact CG2-CD2 4.27Å; I581-L664 HydrophobicContact CD1-CD1 4.23Å; I581-L664 HydrophobicContact CD1-CD2 4.09Å; I581-L664 HydrophobicContact CD1-CG 3.96Å
582	L	98.8	Very high	95.2	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	160.2	-179.1	-60.7	177.3	0	0	0	111.5	A548 M551 V554 I580 V626 H627 F628 I629 F656	A548-L582 HydrophobicContact CB-CD2 4.08Å; A548-L582 WeakPolarHBondContact O-CD2 3.29Å; M551-L582 HydrophobicContact CB-CD1 3.6Å; M551-L582 HydrophobicContact CB-CD2 4.08Å; M551-L582 HydrophobicContact CB-CG 4.42Å; M551-L582 HydrophobicContact SD-CD1 4.26Å; V554-L582 HydrophobicContact CG1-CD1 4Å; I580-L582 HydrophobicContact CG2-CD2 4.03Å; I580-L582 HydrophobicContact CG2-CG 4.03Å; L582-V626 HydrophobicContact CB-CG1 4.45Å; L582-V626 HydrophobicContact CD1-CG1 3.68Å; L582-V626 HydrophobicContact CG-CG1 3.96Å; L582-H627 PolarHBondContact N-O 3.38Å; L582-F628 HydrophobicContact CB-CD1 4.13Å; L582-F628 HydrophobicContact CD1-CD1 4.3Å; L582-F628 HydrophobicContact CD1-CE1 3.92Å; L582-F628 CarbonylContact O-C 3.51Å; L582-F628 WeakPolarHBondContact O-CA 3.48Å; L582-I629 PolarHBondContact O-N 3.21Å; L582-F656 WeakPolarHBondContact O-CE2 3.29Å
583	P	98.6	Very high	95.3	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	140.8	161.8	-15.1	30.5	0	0	0	111	Y585 F638 F656	P583-Y585 HydrophobicContact CB-CD2 4.17Å; P583-Y585 HydrophobicContact CB-CE1 4.18Å; P583-Y585 HydrophobicContact CB-CE2 3.82Å; P583-Y585 HydrophobicContact CG-CE1 4.37Å; P583-Y585 HydrophobicContact CG-CE2 3.86Å; P583-Y585 VanDerWaalsContact O-CD2 3.27Å; P583-Y585 WeakPolarHBondContact O-CD2 3.35Å; P583-Y585 PolarHBondContact O-N 3.47Å; P583-Y585 VanDerWaalsContact O-N 3.11Å; P583-F638 HydrophobicContact CB-CB 4.38Å; P583-F638 HydrophobicContact CB-CD1 3.58Å; P583-F638 HydrophobicContact CB-CD2 3.73Å; P583-F638 HydrophobicContact CB-CE1 3.72Å; P583-F638 HydrophobicContact CB-CE2 3.87Å; P583-F638 HydrophobicContact CB-CG 3.6Å; P583-F638 HydrophobicContact CB-CZ 3.86Å; P583-F638 HydrophobicContact CG-CD1 4.22Å; P583-F638 HydrophobicContact CG-CE1 3.89Å; P583-F638 HydrophobicContact CG-CE2 4.41Å; P583-F638 HydrophobicContact CG-CZ 4Å; P583-F656 HydrophobicContact CB-CD2 4.36Å; P583-F656 HydrophobicContact CG-CD1 4.02Å; P583-F656 HydrophobicContact CG-CD2 3.86Å; P583-F656 HydrophobicContact CG-CE1 4.12Å; P583-F656 HydrophobicContact CG-CE2 3.97Å; P583-F656 HydrophobicContact CG-CG 3.89Å; P583-F656 HydrophobicContact CG-CZ 4.1Å
584	K	98.3	Very high	95.5	Very high	19 Å²	19	45 Å²	45	8%	0.083	22%	0.218	C	C	.	.			trans	-81.1	85.9	167.7	-168.2	173.2	167.5	-67.1	0	109.7	M588 Y590 W617 F628 I629 E630	K584-M588 HydrophobicContact CG-SD 3.82Å; K584-Y590 PolarHBondContact NZ-OH 2.85Å; K584-W617 HydrophobicContact CD-CB 4.31Å; K584-W617 HydrophobicContact CD-CD2 3.97Å; K584-W617 HydrophobicContact CD-CG 3.67Å; K584-F628 HydrophobicContact CB-CB 3.77Å; K584-F628 HydrophobicContact CD-CB 4.49Å; K584-F628 HydrophobicContact CG-CB 4.16Å; K584-I629 PolarHBondContact N-O 3.25Å; K584-E630 HydrophobicContact CB-CB 4.03Å; K584-E630 HydrophobicContact CD-CB 4.12Å; K584-E630 HydrophobicContact CD-CG 4.37Å; K584-E630 WeakPolarHBondContact CD-OE1 3.25Å; K584-E630 WeakPolarHBondContact CE-OE1 3.41Å; K584-E630 IonicContact NZ-OE1 2.78Å; K584-E630 PolarHBondContact NZ-OE1 2.98Å
585	Y	98.4	Very high	95.7	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	24%	0.235	C	C	.	.			trans	-67.8	149.7	175.3	-57.9	-85.6	0	0	0	112.1	A549 A555 P583 C587 M588 Y590 F638 F643	A549-Y585 VanDerWaalsContact O-CE2 3.29Å; A549-Y585 WeakPolarHBondContact O-CE2 3.21Å; A549-Y585 PolarHBondContact O-OH 2.96Å; A555-Y585 HydrophobicContact CB-CD2 4.11Å; A555-Y585 HydrophobicContact CB-CE2 4.14Å; P583-Y585 HydrophobicContact CB-CD2 4.17Å; P583-Y585 HydrophobicContact CB-CE1 4.18Å; P583-Y585 HydrophobicContact CB-CE2 3.82Å; P583-Y585 HydrophobicContact CG-CE1 4.37Å; P583-Y585 HydrophobicContact CG-CE2 3.86Å; P583-Y585 VanDerWaalsContact O-CD2 3.27Å; P583-Y585 WeakPolarHBondContact O-CD2 3.35Å; P583-Y585 PolarHBondContact O-N 3.47Å; P583-Y585 VanDerWaalsContact O-N 3.11Å; Y585-C587 VanDerWaalsContact C-N 3.28Å; Y585-M588 VanDerWaalsContact O-CG 3.29Å; Y585-M588 WeakPolarHBondContact O-CG 3.29Å; Y585-Y590 PolarHBondContact O-OH 3.41Å; Y585-F638 CarbonylContact C-O 3.58Å; Y585-F638 WeakPolarHBondContact CA-O 3.18Å; Y585-F638 HydrophobicContact CD1-CB 4.2Å; Y585-F638 AromaticContact CD1-CD1 3.82Å; Y585-F638 HydrophobicContact CD1-CD1 3.82Å; Y585-F638 HydrophobicContact CD1-CG 4.41Å; Y585-F638 AromaticContact CE1-CD1 3.58Å; Y585-F638 HydrophobicContact CE1-CD1 3.58Å; Y585-F638 HydrophobicContact CE1-CE1 4.13Å; Y585-F643 AromaticContact CD1-CD1 3.81Å; Y585-F643 HydrophobicContact CD1-CD1 3.81Å; Y585-F643 HydrophobicContact CD1-CE1 4.43Å; Y585-F643 AromaticContact CD2-CD1 3.64Å; Y585-F643 HydrophobicContact CD2-CD1 3.64Å; Y585-F643 AromaticContact CD2-CE1 3.72Å; Y585-F643 HydrophobicContact CD2-CE1 3.72Å; Y585-F643 HydrophobicContact CE1-CB 4.36Å; Y585-F643 AromaticContact CE1-CD1 3.9Å; Y585-F643 HydrophobicContact CE1-CD1 3.9Å; Y585-F643 AromaticContact CE2-CD1 3.71Å; Y585-F643 HydrophobicContact CE2-CD1 3.71Å; Y585-F643 HydrophobicContact CE2-CE1 4.15Å; Y585-F643 AromaticContact CG-CD1 3.67Å; Y585-F643 HydrophobicContact CG-CD1 3.67Å; Y585-F643 AromaticContact CG-CE1 3.85Å; Y585-F643 HydrophobicContact CG-CE1 3.85Å; Y585-F643 AromaticContact CZ-CD1 3.82Å
586	D	97.3	Very high	96.1	Very high	50 Å²	50	47.5 Å²	47.5	27%	0.267	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-24.8	166.4	60.8	-25.5	0	0	0	112.7	F638 W639 R640 G641	D586-F638 PolarHBondContact N-O 2.98Å; D586-W639 HydrophobicContact CB-CD2 4.45Å; D586-W639 HydrophobicContact CB-CG 4.09Å; D586-W639 VanDerWaalsContact CG-CA 3.49Å; D586-W639 VanDerWaalsContact OD2-C 3.23Å; D586-W639 WeakPolarHBondContact OD2-CA 3.17Å; D586-R640 VanDerWaalsContact CG-N 3.34Å; D586-R640 PolarHBondContact OD1-N 3.43Å; D586-R640 PolarHBondContact OD2-N 2.92Å; D586-G641 VanDerWaalsContact CG-N 3.28Å; D586-G641 PolarHBondContact OD1-N 3.04Å; D586-G641 PolarHBondContact OD2-N 2.75Å
587	C	95	Very high	96.2	Very high	38 Å²	38	53.2 Å²	53.2	26%	0.257	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	15.4	178.1	63.8	0	0	0	0	115.8	Y585 F643	Y585-C587 VanDerWaalsContact C-N 3.28Å; C587-F643 VanDerWaalsContact O-CZ 3.29Å; C587-F643 WeakPolarHBondContact O-CZ 3.49Å
588	M	96.5	Very high	96.3	Very high	12 Å²	12	52 Å²	52	6%	0.059	24%	0.242	C	C	.	.	S	Bend	trans	-72.7	155.2	175.6	66.8	-170.4	-75.2	0	0	112.7	V554 K584 Y585 Y590 V593 F628	V554-M588 HydrophobicContact CG2-CB 4.32Å; V554-M588 HydrophobicContact CG2-CE 3.53Å; V554-M588 CarbonylContact O-C 3.56Å; V554-M588 WeakPolarHBondContact O-CA 3.4Å; V554-M588 WeakPolarHBondContact O-CB 3.23Å; K584-M588 HydrophobicContact CG-SD 3.82Å; Y585-M588 VanDerWaalsContact O-CG 3.29Å; Y585-M588 WeakPolarHBondContact O-CG 3.29Å; M588-Y590 HydrophobicContact CG-CD1 4.35Å; M588-Y590 HydrophobicContact CG-CD2 3.66Å; M588-Y590 HydrophobicContact CG-CE1 4.04Å; M588-Y590 HydrophobicContact CG-CE2 3.26Å; M588-Y590 HydrophobicContact CG-CG 4.17Å; M588-Y590 VanDerWaalsContact CG-CZ 3.45Å; M588-Y590 WeakPolarHBondContact O-CD2 3.24Å; M588-Y590 PolarHBondContact O-N 3.35Å; M588-Y590 VanDerWaalsContact O-N 3.11Å; M588-Y590 HydrophobicContact SD-CD1 4.43Å; M588-Y590 HydrophobicContact SD-CE1 3.83Å; M588-Y590 HydrophobicContact SD-CE2 4.09Å; M588-Y590 VanDerWaalsContact SD-CZ 3.6Å; M588-V593 HydrophobicContact CE-CG2 4Å; M588-F628 HydrophobicContact CE-CD1 3.62Å; M588-F628 HydrophobicContact CE-CE1 3.4Å; M588-F628 VanDerWaalsContact CE-CE1 3.4Å; M588-F628 HydrophobicContact CE-CE2 4.49Å; M588-F628 HydrophobicContact CE-CG 4.25Å; M588-F628 HydrophobicContact CE-CZ 3.89Å; M588-F628 HydrophobicContact SD-CD1 4.45Å
589	Q	92.7	Very high	96.1	Very high	79 Å²	79	54.1 Å²	54.1	37%	0.369	25%	0.253	S	S	.	.			trans	-79	88.2	173.3	-62.4	-170.7	2.8	0	0	110.4	V554 D591 R592	V554-Q589 PolarHBondContact O-N 3.42Å; Q589-D591 VanDerWaalsContact C-N 3.27Å; Q589-D591 PolarHBondContact O-N 2.92Å; Q589-R592 HydrophobicContact CB-CB 4.41Å; Q589-R592 HydrophobicContact CB-CG 3.91Å; Q589-R592 PolarHBondContact O-N 2.68Å
590	Y	95	Very high	95.7	Very high	93 Å²	93	61.5 Å²	61.5	37%	0.365	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-63.1	-28.7	-176.9	-77.1	-90.2	0	0	0	113.9	K584 Y585 M588 R592 V593 L596	K584-Y590 PolarHBondContact NZ-OH 2.85Å; Y585-Y590 PolarHBondContact O-OH 3.41Å; M588-Y590 HydrophobicContact CG-CD1 4.35Å; M588-Y590 HydrophobicContact CG-CD2 3.66Å; M588-Y590 HydrophobicContact CG-CE1 4.04Å; M588-Y590 HydrophobicContact CG-CE2 3.26Å; M588-Y590 HydrophobicContact CG-CG 4.17Å; M588-Y590 VanDerWaalsContact CG-CZ 3.45Å; M588-Y590 WeakPolarHBondContact O-CD2 3.24Å; M588-Y590 PolarHBondContact O-N 3.35Å; M588-Y590 VanDerWaalsContact O-N 3.11Å; M588-Y590 HydrophobicContact SD-CD1 4.43Å; M588-Y590 HydrophobicContact SD-CE1 3.83Å; M588-Y590 HydrophobicContact SD-CE2 4.09Å; M588-Y590 VanDerWaalsContact SD-CZ 3.6Å; Y590-R592 PolarHBondContact O-N 2.95Å; Y590-V593 PolarHBondContact O-N 3.42Å; Y590-L596 HydrophobicContact CD1-CD2 3.69Å; Y590-L596 HydrophobicContact CE1-CD2 4.09Å
591	D	93.1	Very high	95.1	Very high	124 Å²	124	66.1 Å²	66.1	66%	0.663	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-67.6	-17.5	177	61	-46.4	0	0	0	113.5	Q589	Q589-D591 VanDerWaalsContact C-N 3.27Å; Q589-D591 PolarHBondContact O-N 2.92Å
592	R	90.6	Very high	94.7	Very high	119 Å²	119	69.1 Å²	69.1	45%	0.449	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-94.1	6.8	179	-52.9	-55.3	-176.9	129	10	114.1	P553 Q589 Y590	P553-R592 HydrophobicContact CB-CG 4.33Å; P553-R592 HydrophobicContact CG-CB 3.77Å; P553-R592 HydrophobicContact CG-CG 3.8Å; Q589-R592 HydrophobicContact CB-CB 4.41Å; Q589-R592 HydrophobicContact CB-CG 3.91Å; Q589-R592 PolarHBondContact O-N 2.68Å; Y590-R592 PolarHBondContact O-N 2.95Å
593	V	95.9	Very high	94.5	Very high	14 Å²	14	69.2 Å²	69.2	9%	0.085	34%	0.34	C	S	.	.			trans	-113.6	110.6	-179.8	-165.4	0	0	0	0	110.4	V554 M588 Y590 L596 V621 F628	V554-V593 HydrophobicContact CB-CG2 4.36Å; V554-V593 HydrophobicContact CG2-CG2 3.48Å; V554-V593 VanDerWaalsContact CG2-CG2 3.48Å; M588-V593 HydrophobicContact CE-CG2 4Å; Y590-V593 PolarHBondContact O-N 3.42Å; V593-L596 HydrophobicContact CB-CB 4.27Å; V593-L596 HydrophobicContact CB-CD2 4.45Å; V593-L596 HydrophobicContact CG1-CB 3.9Å; V593-L596 HydrophobicContact CG1-CD1 4.2Å; V593-L596 HydrophobicContact CG1-CG 4.42Å; V593-V621 HydrophobicContact CB-CG2 4.32Å; V593-V621 HydrophobicContact CG1-CG2 4.05Å; V593-V621 HydrophobicContact CG2-CG2 3.98Å; V593-F628 HydrophobicContact CG1-CE2 3.78Å; V593-F628 HydrophobicContact CG1-CZ 3.95Å; V593-F628 HydrophobicContact CG2-CZ 3.98Å
594	R	95.1	Very high	94.5	Very high	189 Å²	189	72.7 Å²	72.7	71%	0.713	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	150.7	170.9	-64.3	-174.1	-179.9	179.7	1.1	110.2	L596 G619 T620	R594-L596 PolarHBondContact O-N 3.1Å; R594-G619 CarbonylContact O-C 3.6Å; R594-G619 VanDerWaalsContact O-CA 3.22Å; R594-G619 WeakPolarHBondContact O-CA 3.49Å; R594-T620 PolarHBondContact N-O 2.95Å; R594-T620 PolarHBondContact O-N 2.59Å
595	D	94.4	Very high	94.4	Very high	124 Å²	124	71.8 Å²	71.8	66%	0.663	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.6	24.9	173	-52.4	-64.8	0	0	0	115.6	R597	D595-R597 PolarHBondContact O-N 3.49Å
596	L	97	Very high	94.4	Very high	50 Å²	50	75.1 Å²	75.1	26%	0.262	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	104.1	-175.8	178.7	57.7	0	0	0	111.8	Y590 V593 R594 W617 I618 F628	Y590-L596 HydrophobicContact CD1-CD2 3.69Å; Y590-L596 HydrophobicContact CE1-CD2 4.09Å; V593-L596 HydrophobicContact CB-CB 4.27Å; V593-L596 HydrophobicContact CB-CD2 4.45Å; V593-L596 HydrophobicContact CG1-CB 3.9Å; V593-L596 HydrophobicContact CG1-CD1 4.2Å; V593-L596 HydrophobicContact CG1-CG 4.42Å; R594-L596 PolarHBondContact O-N 3.1Å; L596-W617 HydrophobicContact CD1-CB 4.08Å; L596-W617 HydrophobicContact CD1-CE3 4.11Å; L596-W617 HydrophobicContact CG-CE3 4.29Å; L596-I618 WeakPolarHBondContact CA-O 3.12Å; L596-F628 HydrophobicContact CD1-CD2 4.19Å; L596-F628 HydrophobicContact CD1-CE2 4.31Å
597	R	96.1	Very high	94.4	Very high	131 Å²	131	72.7 Å²	72.7	49%	0.494	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.9	-179.6	65.2	-172.8	178	94.5	-9.4	112.2	D595 W617 I618	D595-R597 PolarHBondContact O-N 3.49Å; R597-W617 CarbonylContact O-C 3.55Å; R597-W617 VanDerWaalsContact O-CA 3.28Å; R597-W617 WeakPolarHBondContact O-CA 3.22Å; R597-I618 HydrophobicContact CG-CG1 3.96Å; R597-I618 PolarHBondContact N-O 3.4Å; R597-I618 PolarHBondContact O-N 2.9Å
598	A	96.4	Very high	94.6	Very high	32 Å²	32	74 Å²	74	26%	0.264	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	148.8	167.4	0	0	0	0	0	110.6	W617	A598-W617 HydrophobicContact CB-CD2 4.16Å; A598-W617 HydrophobicContact CB-CE3 4.14Å; A598-W617 HydrophobicContact CB-CZ3 4.37Å
599	L	93.8	Very high	94.5	Very high	47 Å²	47	76 Å²	76	25%	0.246	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	144	158.6	-58.7	-178	0	0	0	109	T601 I616 I618	L599-T601 PolarHBondContact O-N 3.36Å; L599-I616 HydrophobicContact CD1-CB 4.25Å; L599-I616 HydrophobicContact CD1-CG2 3.87Å; L599-I616 HydrophobicContact CG-CG2 4.47Å; L599-I616 PolarHBondContact N-O 2.94Å; L599-I618 HydrophobicContact CD1-CG2 4.14Å; L599-I618 HydrophobicContact CD2-CD1 3.77Å; L599-I618 HydrophobicContact CD2-CG1 3.93Å; L599-I618 HydrophobicContact CG-CG1 4.38Å; L599-I618 HydrophobicContact CG-CG2 4.34Å
600	D	88.3	Confident	94.8	Very high	166 Å²	166	78.5 Å²	78.5	89%	0.888	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	-24.9	173	-62.9	-55.7	0	0	0	111.9	V602	D600-V602 PolarHBondContact O-N 3.3Å
601	T	86.1	Confident	94.9	Very high	98 Å²	98	79.2 Å²	79.2	60%	0.601	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	111.4	174.8	-50.6	0	0	0	0	110.9	L599	L599-T601 PolarHBondContact O-N 3.36Å
602	V	91	Very high	95.2	Very high	64 Å²	64	75.2 Å²	75.2	39%	0.388	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	127.5	170.3	176.3	0	0	0	0	109.5	D600 K613	D600-V602 PolarHBondContact O-N 3.3Å; V602-K613 HydrophobicContact CG1-CB 3.6Å; V602-K613 HydrophobicContact CG1-CD 4.06Å; V602-K613 HydrophobicContact CG1-CG 3.71Å
603	V	96	Very high	95.5	Very high	3 Å²	3	74.5 Å²	74.5	2%	0.018	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	122.9	175.3	169.7	0	0	0	0	109.1	N614 I616 E662 L663	V603-N614 PolarHBondContact N-O 3.03Å; V603-N614 VanDerWaalsContact N-O 3.11Å; V603-N614 WeakPolarHBondContact O-CB 3.41Å; V603-N614 PolarHBondContact O-N 3.02Å; V603-N614 PolarHBondContact O-ND2 2.92Å; V603-I616 HydrophobicContact CB-CD1 4.05Å; V603-I616 HydrophobicContact CB-CG1 4.07Å; V603-I616 HydrophobicContact CG2-CD1 4.02Å; V603-I616 HydrophobicContact CG2-CG1 3.64Å; V603-E662 HydrophobicContact CG1-CB 3.89Å; V603-L663 HydrophobicContact CG1-CB 4.49Å; V603-L663 HydrophobicContact CG2-CD1 4.05Å
604	E	96.8	Very high	95.6	Very high	74 Å²	74	73.9 Å²	73.9	35%	0.346	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.5	175.3	-62.1	-156	143.1	0	0	110.7	L611 Y612 K613 Q666	E604-L611 HydrophobicContact CB-CB 4.5Å; E604-Y612 WeakPolarHBondContact CA-O 3.27Å; E604-K613 HydrophobicContact CG-CG 4.22Å; E604-K613 WeakPolarHBondContact OE1-CE 3.39Å; E604-K613 WeakPolarHBondContact OE1-CG 3.35Å; E604-Q666 PolarHBondContact O-NE2 2.86Å
605	S	97.1	Very high	95.7	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.2	-177.9	-174.3	0	0	0	0	112.4	L611 Y612 N614 A659	S605-L611 CarbonylContact O-C 3.59Å; S605-L611 WeakPolarHBondContact O-CA 3.27Å; S605-Y612 PolarHBondContact N-O 3.16Å; S605-Y612 PolarHBondContact O-N 2.93Å; S605-N614 VanDerWaalsContact CB-ND2 3.26Å; S605-N614 WeakPolarHBondContact CB-ND2 3.18Å; S605-A659 WeakPolarHBondContact OG-CA 3.44Å; S605-A659 PolarHBondContact OG-N 3.47Å
606	Y	98.4	Very high	95.9	Very high	70 Å²	70	62 Å²	62	28%	0.275	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	133.7	-179.8	175.5	-79.2	0	0	0	111.7	G609 K610	Y606-G609 WeakPolarHBondContact OH-CA 3.46Å; Y606-G609 PolarHBondContact OH-N 2.8Å; Y606-K610 CarbonylContact C-O 3.53Å; Y606-K610 VanDerWaalsContact CA-O 3.3Å; Y606-K610 WeakPolarHBondContact CA-O 3.38Å
607	F	98.2	Very high	96	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	143	160.7	-148.3	-117.5	0	0	0	111.3	G609 K610 Y612 F637 R651 Y655 S722 C723	F607-G609 PolarHBondContact O-N 2.95Å; F607-K610 PolarHBondContact N-O 3.26Å; F607-K610 PolarHBondContact O-N 3.39Å; F607-K610 VanDerWaalsContact O-O 3.1Å; F607-Y612 HydrophobicContact CB-CD2 3.88Å; F607-Y612 HydrophobicContact CB-CE2 3.89Å; F607-Y612 WeakPolarHBondContact O-CE2 3.37Å; F607-F637 HydrophobicContact CD1-CZ 4.31Å; F607-F637 HydrophobicContact CE1-CE2 4.35Å; F607-F637 AromaticContact CE1-CZ 3.84Å; F607-F637 HydrophobicContact CE1-CZ 3.84Å; F607-F637 HydrophobicContact CZ-CZ 4.49Å; F607-R651 HydrophobicContact CE1-CB 4.32Å; F607-R651 HydrophobicContact CZ-CB 4.04Å; F607-R651 HydrophobicContact CZ-CG 4.33Å; F607-R651 WeakPolarHBondContact CZ-O 3.33Å; F607-Y655 HydrophobicContact CB-CD2 3.7Å; F607-Y655 HydrophobicContact CB-CE2 3.93Å; F607-Y655 AromaticContact CD1-CD2 4Å; F607-Y655 HydrophobicContact CD1-CD2 4Å; F607-Y655 AromaticContact CD2-CD2 3.66Å; F607-Y655 HydrophobicContact CD2-CD2 3.66Å; F607-Y655 HydrophobicContact CD2-CG 4.24Å; F607-Y655 HydrophobicContact CE1-CD2 4.48Å; F607-Y655 HydrophobicContact CE2-CD2 4.21Å; F607-Y655 HydrophobicContact CE2-CG 4.43Å; F607-Y655 AromaticContact CG-CD2 3.55Å; F607-Y655 HydrophobicContact CG-CD2 3.55Å; F607-Y655 HydrophobicContact CG-CE2 4.28Å; F607-Y655 HydrophobicContact CG-CG 4.5Å; F607-S722 CarbonylContact C-O 3.59Å; F607-S722 VanDerWaalsContact CA-O 3.27Å; F607-S722 WeakPolarHBondContact CA-O 3.27Å; F607-S722 WeakPolarHBondContact CD2-O 3.39Å; F607-C723 HydrophobicContact CE2-CB 4.29Å
608	D	97.4	Very high	96	Very high	65 Å²	65	57.6 Å²	57.6	35%	0.348	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.1	42.7	175.9	-61.5	-37.5	0	0	0	114.1	K610 R651 S722	D608-K610 PolarHBondContact O-N 3.06Å; D608-R651 IonicContact OD1-NH1 2.64Å; D608-R651 PolarHBondContact OD1-NH1 3.22Å; D608-R651 IonicContact OD2-CZ 3.51Å; D608-R651 VanDerWaalsContact OD2-CZ 3.28Å; D608-R651 IonicContact OD2-NH1 2.65Å; D608-R651 PolarHBondContact OD2-NH1 2.77Å; D608-R651 IonicContact OD2-NH2 3.84Å; D608-R651 PolarHBondContact OD2-NH2 3.41Å; D608-S722 PolarHBondContact N-O 2.95Å; D608-S722 WeakPolarHBondContact OD1-CA 3.4Å; D608-S722 WeakPolarHBondContact OD1-CB 3.42Å; D608-S722 PolarHBondContact OD1-OG 3.26Å
609	G	96	Very high	96	Very high	55 Å²	55	56.4 Å²	56.4	57%	0.567	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	7	179.2	0	0	0	0	0	116.2	Y606 F607	Y606-G609 WeakPolarHBondContact OH-CA 3.46Å; Y606-G609 PolarHBondContact OH-N 2.8Å; F607-G609 PolarHBondContact O-N 2.95Å
610	K	97.6	Very high	96.2	Very high	131 Å²	131	56.5 Å²	56.5	57%	0.57	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	156.5	-175.3	-62.4	174.4	-172.7	170.2	0	111.7	Y606 F607 D608 Y612	Y606-K610 CarbonylContact C-O 3.53Å; Y606-K610 VanDerWaalsContact CA-O 3.3Å; Y606-K610 WeakPolarHBondContact CA-O 3.38Å; F607-K610 PolarHBondContact N-O 3.26Å; F607-K610 PolarHBondContact O-N 3.39Å; F607-K610 VanDerWaalsContact O-O 3.1Å; D608-K610 PolarHBondContact O-N 3.06Å; K610-Y612 HydrophobicContact CB-CD2 4.48Å; K610-Y612 HydrophobicContact CB-CE2 3.85Å
611	L	98	Very high	96.5	Very high	108 Å²	108	48.6 Å²	48.6	57%	0.565	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	138.3	167.4	-63.7	179.8	0	0	0	110.4	E604 S605	E604-L611 HydrophobicContact CB-CB 4.5Å; S605-L611 CarbonylContact O-C 3.59Å; S605-L611 WeakPolarHBondContact O-CA 3.27Å
612	Y	98.2	Very high	96.7	Very high	40 Å²	40	48.1 Å²	48.1	16%	0.157	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	141.8	176	-65.4	-82.4	0	0	0	110.4	E604 S605 F607 K610 N614 H633 P634 Y655	E604-Y612 WeakPolarHBondContact CA-O 3.27Å; S605-Y612 PolarHBondContact N-O 3.16Å; S605-Y612 PolarHBondContact O-N 2.93Å; F607-Y612 HydrophobicContact CB-CD2 3.88Å; F607-Y612 HydrophobicContact CB-CE2 3.89Å; F607-Y612 WeakPolarHBondContact O-CE2 3.37Å; K610-Y612 HydrophobicContact CB-CD2 4.48Å; K610-Y612 HydrophobicContact CB-CE2 3.85Å; Y612-N614 PolarHBondContact O-ND2 2.91Å; Y612-N614 VanDerWaalsContact O-ND2 3.14Å; Y612-H633 AromaticContact CD1-CD2 3.6Å; Y612-H633 AromaticContact CD2-CD2 3.64Å; Y612-H633 AromaticContact CE1-CD2 3.49Å; Y612-H633 VanDerWaalsContact CE1-CD2 3.49Å; Y612-H633 WeakPolarHBondContact CE1-CD2 3.15Å; Y612-H633 AromaticContact CE1-NE2 3.92Å; Y612-H633 AromaticContact CE2-CD2 3.5Å; Y612-H633 AromaticContact CE2-NE2 3.7Å; Y612-H633 AromaticContact CG-CD2 3.66Å; Y612-H633 AromaticContact CZ-CD2 3.43Å; Y612-H633 VanDerWaalsContact CZ-CD2 3.43Å; Y612-H633 AromaticContact CZ-NE2 3.49Å; Y612-P634 HydrophobicContact CE1-CG 4.45Å; Y612-Y655 HydrophobicContact CD2-CE2 4.41Å
613	K	97.8	Very high	96.6	Very high	104 Å²	104	46.7 Å²	46.7	45%	0.452	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	141.4	-178.8	-70.5	-178.2	175.7	-170.3	0	111.3	V602 E604 Q632	V602-K613 HydrophobicContact CG1-CB 3.6Å; V602-K613 HydrophobicContact CG1-CD 4.06Å; V602-K613 HydrophobicContact CG1-CG 3.71Å; E604-K613 HydrophobicContact CG-CG 4.22Å; E604-K613 WeakPolarHBondContact OE1-CE 3.39Å; E604-K613 WeakPolarHBondContact OE1-CG 3.35Å; K613-Q632 HydrophobicContact CB-CB 4.22Å; K613-Q632 HydrophobicContact CB-CG 4.4Å; K613-Q632 VanDerWaalsContact CB-OE1 3.31Å; K613-Q632 WeakPolarHBondContact O-CA 3.2Å; K613-Q632 VanDerWaalsContact O-CB 3.25Å; K613-Q632 WeakPolarHBondContact O-CB 3.3Å; K613-Q632 PolarHBondContact O-N 2.71Å
614	N	98.3	Very high	96.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.6	173.3	-56.3	-85.7	0	0	0	107.8	V603 S605 Y612 I616 I629 E630 Y655	V603-N614 PolarHBondContact N-O 3.03Å; V603-N614 VanDerWaalsContact N-O 3.11Å; V603-N614 WeakPolarHBondContact O-CB 3.41Å; V603-N614 PolarHBondContact O-N 3.02Å; V603-N614 PolarHBondContact O-ND2 2.92Å; S605-N614 VanDerWaalsContact CB-ND2 3.26Å; S605-N614 WeakPolarHBondContact CB-ND2 3.18Å; Y612-N614 PolarHBondContact O-ND2 2.91Å; Y612-N614 VanDerWaalsContact O-ND2 3.14Å; N614-I616 HydrophobicContact CB-CD1 4.24Å; N614-I629 HydrophobicContact CB-CG2 4.03Å; N614-E630 WeakPolarHBondContact CA-O 3.19Å; N614-Y655 PolarHBondContact ND2-OH 3.42Å; N614-Y655 VanDerWaalsContact OD1-CE1 3.23Å; N614-Y655 WeakPolarHBondContact OD1-CE1 3.27Å; N614-Y655 PolarHBondContact OD1-OH 3.2Å
615	K	97.6	Very high	96.5	Very high	64 Å²	64	45.1 Å²	45.1	28%	0.278	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	120.9	170.4	-175	174.4	174.4	-169.8	0	107.3	W617 E630	K615-W617 HydrophobicContact CD-CZ2 4.2Å; K615-W617 VanDerWaalsContact NZ-CZ2 3.31Å; K615-E630 HydrophobicContact CB-CB 4.27Å; K615-E630 PolarHBondContact N-O 3.47Å; K615-E630 WeakPolarHBondContact O-CB 3.14Å; K615-E630 PolarHBondContact O-N 2.96Å
616	I	98.1	Very high	96.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	128.5	-180	-52	-57.9	0	0	0	107.8	L599 V603 N614 I629 L663	L599-I616 HydrophobicContact CD1-CB 4.25Å; L599-I616 HydrophobicContact CD1-CG2 3.87Å; L599-I616 HydrophobicContact CG-CG2 4.47Å; L599-I616 PolarHBondContact N-O 2.94Å; V603-I616 HydrophobicContact CB-CD1 4.05Å; V603-I616 HydrophobicContact CB-CG1 4.07Å; V603-I616 HydrophobicContact CG2-CD1 4.02Å; V603-I616 HydrophobicContact CG2-CG1 3.64Å; N614-I616 HydrophobicContact CB-CD1 4.24Å; I616-I629 HydrophobicContact CD1-CG1 4.17Å; I616-I629 HydrophobicContact CD1-CG2 4.46Å; I616-L663 HydrophobicContact CD1-CD1 4.06Å; I616-L663 HydrophobicContact CD1-CD2 4.39Å; I616-L663 HydrophobicContact CG1-CD1 3.99Å; I616-L663 HydrophobicContact CG2-CD1 3.96Å; I616-L663 HydrophobicContact CG2-CD2 4.4Å
617	W	98.3	Very high	96.6	Very high	52 Å²	52	43.1 Å²	43.1	20%	0.197	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	146.3	171.5	-60.9	73.8	0	0	0	108.6	K584 L596 R597 A598 K615 H627 F628 E630	K584-W617 HydrophobicContact CD-CB 4.31Å; K584-W617 HydrophobicContact CD-CD2 3.97Å; K584-W617 HydrophobicContact CD-CG 3.67Å; L596-W617 HydrophobicContact CD1-CB 4.08Å; L596-W617 HydrophobicContact CD1-CE3 4.11Å; L596-W617 HydrophobicContact CG-CE3 4.29Å; R597-W617 CarbonylContact O-C 3.55Å; R597-W617 VanDerWaalsContact O-CA 3.28Å; R597-W617 WeakPolarHBondContact O-CA 3.22Å; A598-W617 HydrophobicContact CB-CD2 4.16Å; A598-W617 HydrophobicContact CB-CE3 4.14Å; A598-W617 HydrophobicContact CB-CZ3 4.37Å; K615-W617 HydrophobicContact CD-CZ2 4.2Å; K615-W617 VanDerWaalsContact NZ-CZ2 3.31Å; W617-H627 CarbonylContact O-C 3.55Å; W617-H627 WeakPolarHBondContact O-CA 3.34Å; W617-F628 HydrophobicContact CB-CB 4.28Å; W617-F628 PolarHBondContact N-O 3.5Å; W617-F628 PolarHBondContact O-N 2.98Å; W617-E630 VanDerWaalsContact NE1-CD 3.27Å; W617-E630 PolarHBondContact NE1-OE2 3.47Å
618	I	97.6	Very high	96.6	Very high	35 Å²	35	43.1 Å²	43.1	18%	0.179	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.6	172.6	58.5	165	0	0	0	110.3	L596 R597 L599 V626 H627	L596-I618 WeakPolarHBondContact CA-O 3.12Å; R597-I618 HydrophobicContact CG-CG1 3.96Å; R597-I618 PolarHBondContact N-O 3.4Å; R597-I618 PolarHBondContact O-N 2.9Å; L599-I618 HydrophobicContact CD1-CG2 4.14Å; L599-I618 HydrophobicContact CD2-CD1 3.77Å; L599-I618 HydrophobicContact CD2-CG1 3.93Å; L599-I618 HydrophobicContact CG-CG1 4.38Å; L599-I618 HydrophobicContact CG-CG2 4.34Å; I618-V626 WeakPolarHBondContact CA-O 3.24Å; I618-H627 VanDerWaalsContact CG2-CD2 3.42Å; I618-H627 WeakPolarHBondContact CG2-CD2 3.44Å
619	G	96.3	Very high	96.7	Very high	7 Å²	7	40 Å²	40	7%	0.072	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	174.1	172.7	0	0	0	0	0	110.4	R594 V626	R594-G619 CarbonylContact O-C 3.6Å; R594-G619 VanDerWaalsContact O-CA 3.22Å; R594-G619 WeakPolarHBondContact O-CA 3.49Å; G619-V626 PolarHBondContact N-O 3.4Å; G619-V626 VanDerWaalsContact N-O 3.12Å; G619-V626 PolarHBondContact O-N 3.27Å
620	T	97.2	Very high	96.8	Very high	49 Å²	49	38.7 Å²	38.7	30%	0.301	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.7	-177.5	-53.8	0	0	0	0	109.9	R594 L624	R594-T620 PolarHBondContact N-O 2.95Å; R594-T620 PolarHBondContact O-N 2.59Å; T620-L624 WeakPolarHBondContact CA-O 3.5Å
621	V	94.8	Very high	96.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	111.9	178.2	-178.4	0	0	0	0	107.7	M551 V554 V593 G623 L624 V626 F628	M551-V621 HydrophobicContact CE-CB 3.74Å; M551-V621 HydrophobicContact CE-CG1 3.72Å; M551-V621 HydrophobicContact SD-CB 4.32Å; M551-V621 HydrophobicContact SD-CG1 4.36Å; V554-V621 HydrophobicContact CB-CG1 4.13Å; V554-V621 HydrophobicContact CB-CG2 4.22Å; V554-V621 HydrophobicContact CG1-CG1 4.04Å; V554-V621 HydrophobicContact CG1-CG2 4.17Å; V593-V621 HydrophobicContact CB-CG2 4.32Å; V593-V621 HydrophobicContact CG1-CG2 4.05Å; V593-V621 HydrophobicContact CG2-CG2 3.98Å; V621-G623 VanDerWaalsContact C-N 3.3Å; V621-G623 PolarHBondContact O-N 3.21Å; V621-L624 PolarHBondContact N-O 2.96Å; V621-L624 WeakPolarHBondContact O-CB 3.46Å; V621-L624 PolarHBondContact O-N 2.65Å; V621-V626 HydrophobicContact CB-CG2 3.88Å; V621-V626 HydrophobicContact CG2-CB 4.45Å; V621-V626 HydrophobicContact CG2-CG2 3.77Å; V621-F628 HydrophobicContact CG2-CZ 4.04Å
622	E	89.2	Confident	96.7	Very high	89 Å²	89	33.4 Å²	33.4	42%	0.416	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	46	-179.5	-56.5	-172.2	165.4	0	0	113.8	P553 K569 L624	P553-E622 VanDerWaalsContact CD-OE1 3.27Å; P553-E622 WeakPolarHBondContact CD-OE1 3.39Å; K569-E622 HydrophobicContact CD-CB 4.21Å; K569-E622 IonicContact NZ-OE2 3.55Å; K569-E622 PolarHBondContact NZ-OE2 3.16Å; E622-L624 VanDerWaalsContact C-N 3.25Å; E622-L624 PolarHBondContact O-N 3.5Å
623	G	89.4	Confident	96.7	Very high	33 Å²	33	32 Å²	32	34%	0.34	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	-17	-178.8	0	0	0	0	0	115.1	Q572 V621	Q572-G623 PolarHBondContact NE2-O 3.04Å; Q572-G623 PolarHBondContact OE1-O 3.23Å; V621-G623 VanDerWaalsContact C-N 3.3Å; V621-G623 PolarHBondContact O-N 3.21Å
624	L	95	Very high	96.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	132.9	-178.3	-72.7	157.8	0	0	0	112	M551 K569 Q572 V578 I580 T620 V621 E622 V626	M551-L624 HydrophobicContact CE-CB 3.93Å; M551-L624 HydrophobicContact CE-CD1 3.67Å; M551-L624 HydrophobicContact CE-CG 4.46Å; K569-L624 HydrophobicContact CG-CD1 3.79Å; K569-L624 HydrophobicContact CG-CG 4.22Å; Q572-L624 HydrophobicContact CB-CD2 4.43Å; V578-L624 HydrophobicContact CB-CD2 3.88Å; V578-L624 HydrophobicContact CG1-CD2 3.63Å; I580-L624 HydrophobicContact CD1-CB 4.23Å; I580-L624 HydrophobicContact CD1-CD1 3.8Å; I580-L624 HydrophobicContact CD1-CD2 4.33Å; I580-L624 HydrophobicContact CD1-CG 4.36Å; T620-L624 WeakPolarHBondContact CA-O 3.5Å; V621-L624 PolarHBondContact N-O 2.96Å; V621-L624 WeakPolarHBondContact O-CB 3.46Å; V621-L624 PolarHBondContact O-N 2.65Å; E622-L624 VanDerWaalsContact C-N 3.25Å; E622-L624 PolarHBondContact O-N 3.5Å; L624-V626 PolarHBondContact O-N 2.9Å
625	P	97	Very high	96.6	Very high	45 Å²	45	34.2 Å²	34.2	29%	0.292	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	123.5	170.1	-14	27.6	0	0	0	111.8	V578 E579 I580	V578-P625 WeakPolarHBondContact O-CD 3.26Å; E579-P625 HydrophobicContact CG-CB 4.44Å; I580-P625 PolarHBondContact N-O 2.59Å
626	V	98.5	Very high	96.6	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129	-178.3	-168.4	0	0	0	0	111.5	M551 I580 L582 I618 G619 V621 L624 F628	M551-V626 HydrophobicContact CE-CG2 4.13Å; M551-V626 HydrophobicContact SD-CG2 3.63Å; I580-V626 HydrophobicContact CB-CG1 4.48Å; I580-V626 HydrophobicContact CB-CG2 4.41Å; I580-V626 CarbonylContact O-C 3.6Å; I580-V626 WeakPolarHBondContact O-CA 3.37Å; L582-V626 HydrophobicContact CB-CG1 4.45Å; L582-V626 HydrophobicContact CD1-CG1 3.68Å; L582-V626 HydrophobicContact CG-CG1 3.96Å; I618-V626 WeakPolarHBondContact CA-O 3.24Å; G619-V626 PolarHBondContact N-O 3.4Å; G619-V626 VanDerWaalsContact N-O 3.12Å; G619-V626 PolarHBondContact O-N 3.27Å; V621-V626 HydrophobicContact CB-CG2 3.88Å; V621-V626 HydrophobicContact CG2-CB 4.45Å; V621-V626 HydrophobicContact CG2-CG2 3.77Å; L624-V626 PolarHBondContact O-N 2.9Å; V626-F628 HydrophobicContact CB-CD2 4.46Å; V626-F628 HydrophobicContact CB-CE1 4.38Å; V626-F628 HydrophobicContact CB-CE2 3.75Å; V626-F628 HydrophobicContact CB-CZ 3.71Å; V626-F628 HydrophobicContact CG1-CD1 4.04Å; V626-F628 HydrophobicContact CG1-CD2 4.16Å; V626-F628 HydrophobicContact CG1-CE1 3.6Å; V626-F628 HydrophobicContact CG1-CE2 3.73Å; V626-F628 HydrophobicContact CG1-CG 4.3Å; V626-F628 HydrophobicContact CG1-CZ 3.44Å; V626-F628 VanDerWaalsContact CG1-CZ 3.44Å; V626-F628 HydrophobicContact CG2-CZ 4.44Å
627	H	98.4	Very high	96.6	Very high	26 Å²	26	37.3 Å²	37.3	12%	0.12	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114.6	169.8	-62.1	75.2	0	0	0	109.6	E579 I580 I581 L582 W617 I618 L663	E579-H627 IonicContact OE2-CE1 3.86Å; I580-H627 PolarHBondContact O-N 3.43Å; I581-H627 WeakPolarHBondContact CA-O 3.4Å; I581-H627 HydrophobicContact CG1-CB 4.4Å; L582-H627 PolarHBondContact N-O 3.38Å; W617-H627 CarbonylContact O-C 3.55Å; W617-H627 WeakPolarHBondContact O-CA 3.34Å; I618-H627 VanDerWaalsContact CG2-CD2 3.42Å; I618-H627 WeakPolarHBondContact CG2-CD2 3.44Å; H627-L663 HydrophobicContact CB-CD2 3.85Å
628	F	98.6	Very high	96.6	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.2	176.8	-48.2	-95.6	0	0	0	110.4	V554 L582 K584 M588 V593 L596 W617 V621 V626	V554-F628 HydrophobicContact CG1-CE1 4.31Å; V554-F628 HydrophobicContact CG2-CE1 3.83Å; V554-F628 HydrophobicContact CG2-CZ 4.1Å; L582-F628 HydrophobicContact CB-CD1 4.13Å; L582-F628 HydrophobicContact CD1-CD1 4.3Å; L582-F628 HydrophobicContact CD1-CE1 3.92Å; L582-F628 CarbonylContact O-C 3.51Å; L582-F628 WeakPolarHBondContact O-CA 3.48Å; K584-F628 HydrophobicContact CB-CB 3.77Å; K584-F628 HydrophobicContact CD-CB 4.49Å; K584-F628 HydrophobicContact CG-CB 4.16Å; M588-F628 HydrophobicContact CE-CD1 3.62Å; M588-F628 HydrophobicContact CE-CE1 3.4Å; M588-F628 VanDerWaalsContact CE-CE1 3.4Å; M588-F628 HydrophobicContact CE-CE2 4.49Å; M588-F628 HydrophobicContact CE-CG 4.25Å; M588-F628 HydrophobicContact CE-CZ 3.89Å; M588-F628 HydrophobicContact SD-CD1 4.45Å; V593-F628 HydrophobicContact CG1-CE2 3.78Å; V593-F628 HydrophobicContact CG1-CZ 3.95Å; V593-F628 HydrophobicContact CG2-CZ 3.98Å; L596-F628 HydrophobicContact CD1-CD2 4.19Å; L596-F628 HydrophobicContact CD1-CE2 4.31Å; W617-F628 HydrophobicContact CB-CB 4.28Å; W617-F628 PolarHBondContact N-O 3.5Å; W617-F628 PolarHBondContact O-N 2.98Å; V621-F628 HydrophobicContact CG2-CZ 4.04Å; V626-F628 HydrophobicContact CB-CD2 4.46Å; V626-F628 HydrophobicContact CB-CE1 4.38Å; V626-F628 HydrophobicContact CB-CE2 3.75Å; V626-F628 HydrophobicContact CB-CZ 3.71Å; V626-F628 HydrophobicContact CG1-CD1 4.04Å; V626-F628 HydrophobicContact CG1-CD2 4.16Å; V626-F628 HydrophobicContact CG1-CE1 3.6Å; V626-F628 HydrophobicContact CG1-CE2 3.73Å; V626-F628 HydrophobicContact CG1-CG 4.3Å; V626-F628 HydrophobicContact CG1-CZ 3.44Å; V626-F628 VanDerWaalsContact CG1-CZ 3.44Å; V626-F628 HydrophobicContact CG2-CZ 4.44Å
629	I	98.5	Very high	96.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.9	-178.9	-57.9	-173	0	0	0	109.8	I581 L582 K584 N614 I616 P631 F656 A659 A660 L663	I581-I629 HydrophobicContact CG2-CD1 3.65Å; I581-I629 HydrophobicContact CG2-CG1 4.01Å; L582-I629 PolarHBondContact O-N 3.21Å; K584-I629 PolarHBondContact N-O 3.25Å; N614-I629 HydrophobicContact CB-CG2 4.03Å; I616-I629 HydrophobicContact CD1-CG1 4.17Å; I616-I629 HydrophobicContact CD1-CG2 4.46Å; I629-P631 WeakPolarHBondContact O-CD 3.48Å; I629-F656 HydrophobicContact CB-CD2 4.4Å; I629-F656 HydrophobicContact CB-CE2 4.43Å; I629-F656 HydrophobicContact CD1-CD2 4.21Å; I629-F656 HydrophobicContact CD1-CE2 3.98Å; I629-F656 HydrophobicContact CG1-CE2 4.31Å; I629-A659 HydrophobicContact CD1-CB 4.1Å; I629-A659 HydrophobicContact CG2-CB 3.97Å; I629-A660 HydrophobicContact CD1-CB 4.09Å; I629-L663 HydrophobicContact CD1-CD2 4.21Å; I629-L663 HydrophobicContact CG1-CD2 4.34Å
630	E	98.2	Very high	96.5	Very high	27 Å²	27	43.9 Å²	43.9	13%	0.126	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	99.5	176.4	-170.5	175.4	-110.9	0	0	110.4	K584 N614 K615 W617 Q632	K584-E630 HydrophobicContact CB-CB 4.03Å; K584-E630 HydrophobicContact CD-CB 4.12Å; K584-E630 HydrophobicContact CD-CG 4.37Å; K584-E630 WeakPolarHBondContact CD-OE1 3.25Å; K584-E630 WeakPolarHBondContact CE-OE1 3.41Å; K584-E630 IonicContact NZ-OE1 2.78Å; K584-E630 PolarHBondContact NZ-OE1 2.98Å; N614-E630 WeakPolarHBondContact CA-O 3.19Å; K615-E630 HydrophobicContact CB-CB 4.27Å; K615-E630 PolarHBondContact N-O 3.47Å; K615-E630 WeakPolarHBondContact O-CB 3.14Å; K615-E630 PolarHBondContact O-N 2.96Å; W617-E630 VanDerWaalsContact NE1-CD 3.27Å; W617-E630 PolarHBondContact NE1-OE2 3.47Å; E630-Q632 PolarHBondContact O-N 2.74Å
631	P	97.7	Very high	96.4	Very high	19 Å²	19	43.8 Å²	43.8	12%	0.123	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	128	-177.6	-21.7	35.4	0	0	0	112.5	I629 H633 F638 Y655	I629-P631 WeakPolarHBondContact O-CD 3.48Å; P631-H633 HydrophobicContact CB-CB 4.23Å; P631-H633 PolarHBondContact O-N 3.05Å; P631-H633 VanDerWaalsContact O-N 3.15Å; P631-F638 HydrophobicContact CG-CD2 3.76Å; P631-F638 HydrophobicContact CG-CE2 3.97Å; P631-Y655 HydrophobicContact CB-CD1 4.24Å; P631-Y655 HydrophobicContact CB-CE1 3.51Å; P631-Y655 HydrophobicContact CG-CD1 4.01Å; P631-Y655 HydrophobicContact CG-CE1 3.58Å
632	Q	96.7	Very high	96.3	Very high	109 Å²	109	48.4 Å²	48.4	51%	0.509	26%	0.256	S	S	.	.			trans	-84.7	32.4	167.5	-53.8	-171.4	-26.5	0	0	111.4	K613 E630	K613-Q632 HydrophobicContact CB-CB 4.22Å; K613-Q632 HydrophobicContact CB-CG 4.4Å; K613-Q632 VanDerWaalsContact CB-OE1 3.31Å; K613-Q632 WeakPolarHBondContact O-CA 3.2Å; K613-Q632 VanDerWaalsContact O-CB 3.25Å; K613-Q632 WeakPolarHBondContact O-CB 3.3Å; K613-Q632 PolarHBondContact O-N 2.71Å; E630-Q632 PolarHBondContact O-N 2.74Å
633	H	97.3	Very high	96.5	Very high	9 Å²	9	45.9 Å²	45.9	4%	0.042	24%	0.244	C	C	.	.			trans	-81.2	136.2	177.8	-172.9	-96.7	0	0	0	110.7	Y612 P631 S635 K636 F637 Y655	Y612-H633 AromaticContact CD1-CD2 3.6Å; Y612-H633 AromaticContact CD2-CD2 3.64Å; Y612-H633 AromaticContact CE1-CD2 3.49Å; Y612-H633 VanDerWaalsContact CE1-CD2 3.49Å; Y612-H633 WeakPolarHBondContact CE1-CD2 3.15Å; Y612-H633 AromaticContact CE1-NE2 3.92Å; Y612-H633 AromaticContact CE2-CD2 3.5Å; Y612-H633 AromaticContact CE2-NE2 3.7Å; Y612-H633 AromaticContact CG-CD2 3.66Å; Y612-H633 AromaticContact CZ-CD2 3.43Å; Y612-H633 VanDerWaalsContact CZ-CD2 3.43Å; Y612-H633 AromaticContact CZ-NE2 3.49Å; P631-H633 HydrophobicContact CB-CB 4.23Å; P631-H633 PolarHBondContact O-N 3.05Å; P631-H633 VanDerWaalsContact O-N 3.15Å; H633-S635 PolarHBondContact CE1-OG 2.93Å; H633-S635 WeakPolarHBondContact ND1-CB 3.43Å; H633-S635 PolarHBondContact ND1-N 3.18Å; H633-S635 PolarHBondContact ND1-OG 3.15Å; H633-S635 PolarHBondContact O-N 2.87Å; H633-K636 PolarHBondContact O-N 3.28Å; H633-F637 HydrophobicContact CB-CD2 4.08Å; H633-F637 HydrophobicContact CB-CE2 3.86Å; H633-F637 AromaticContact CE1-CE2 3.71Å; H633-F637 AromaticContact CE1-CZ 3.45Å; H633-F637 VanDerWaalsContact CE1-CZ 3.45Å; H633-F637 WeakPolarHBondContact CE1-CZ 3.17Å; H633-F637 AromaticContact CG-CE2 3.43Å; H633-F637 VanDerWaalsContact CG-CE2 3.43Å; H633-F637 AromaticContact CG-CZ 4Å; H633-F637 AromaticContact ND1-CD2 3.93Å; H633-F637 AromaticContact ND1-CE2 3.14Å; H633-F637 WeakPolarHBondContact ND1-CE2 3.42Å; H633-F637 AromaticContact ND1-CZ 3.25Å; H633-F637 WeakPolarHBondContact ND1-CZ 3.22Å; H633-Y655 HydrophobicContact CB-CE2 4.18Å
634	P	97.1	Very high	96.7	Very high	101 Å²	101	46.7 Å²	46.7	66%	0.656	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-30.7	-176.2	-29.5	36.4	0	0	0	115.4	Y612 K636	Y612-P634 HydrophobicContact CE1-CG 4.45Å; P634-K636 PolarHBondContact O-N 2.84Å
635	S	97.2	Very high	96.6	Very high	51 Å²	51	49.7 Å²	49.7	36%	0.357	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-0.7	177.4	-48.9	0	0	0	0	114.9	H633 F637 R640	H633-S635 PolarHBondContact CE1-OG 2.93Å; H633-S635 WeakPolarHBondContact ND1-CB 3.43Å; H633-S635 PolarHBondContact ND1-N 3.18Å; H633-S635 PolarHBondContact ND1-OG 3.15Å; H633-S635 PolarHBondContact O-N 2.87Å; S635-F637 PolarHBondContact O-N 3.25Å; S635-R640 PolarHBondContact O-NH2 3.43Å
636	K	97.5	Very high	96.5	Very high	129 Å²	129	49.5 Å²	49.5	56%	0.561	26%	0.263	S	S	*	.			trans	44.9	57.5	175.6	-61.2	-174.7	178.8	-175.6	0	113.8	H633 P634 F638 W639 R640	H633-K636 PolarHBondContact O-N 3.28Å; P634-K636 PolarHBondContact O-N 2.84Å; K636-F638 VanDerWaalsContact C-N 3.25Å; K636-F638 PolarHBondContact O-N 3.18Å; K636-F638 VanDerWaalsContact O-N 3.1Å; K636-W639 HydrophobicContact CB-CB 3.97Å; K636-W639 HydrophobicContact CD-CB 4.47Å; K636-W639 PolarHBondContact O-N 3.1Å; K636-W639 VanDerWaalsContact O-N 3.1Å; K636-R640 PolarHBondContact O-NE 3.23Å
637	F	97.5	Very high	96.3	Very high	1 Å²	1	58.9 Å²	58.9	0%	0.004	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-35.5	-167.8	-65.2	-54.6	0	0	0	114.5	F607 H633 S635 R640 R651 R652 Y655	F607-F637 HydrophobicContact CD1-CZ 4.31Å; F607-F637 HydrophobicContact CE1-CE2 4.35Å; F607-F637 AromaticContact CE1-CZ 3.84Å; F607-F637 HydrophobicContact CE1-CZ 3.84Å; F607-F637 HydrophobicContact CZ-CZ 4.49Å; H633-F637 HydrophobicContact CB-CD2 4.08Å; H633-F637 HydrophobicContact CB-CE2 3.86Å; H633-F637 AromaticContact CE1-CE2 3.71Å; H633-F637 AromaticContact CE1-CZ 3.45Å; H633-F637 VanDerWaalsContact CE1-CZ 3.45Å; H633-F637 WeakPolarHBondContact CE1-CZ 3.17Å; H633-F637 AromaticContact CG-CE2 3.43Å; H633-F637 VanDerWaalsContact CG-CE2 3.43Å; H633-F637 AromaticContact CG-CZ 4Å; H633-F637 AromaticContact ND1-CD2 3.93Å; H633-F637 AromaticContact ND1-CE2 3.14Å; H633-F637 WeakPolarHBondContact ND1-CE2 3.42Å; H633-F637 AromaticContact ND1-CZ 3.25Å; H633-F637 WeakPolarHBondContact ND1-CZ 3.22Å; S635-F637 PolarHBondContact O-N 3.25Å; F637-R640 WeakPolarHBondContact O-CG 3.02Å; F637-R651 HydrophobicContact CE1-CB 4.32Å; F637-R652 HydrophobicContact CB-CB 4.2Å; F637-R652 HydrophobicContact CB-CG 4Å; F637-R652 HydrophobicContact CD1-CB 4.33Å; F637-R652 HydrophobicContact CD1-CG 3.76Å; F637-R652 HydrophobicContact CG-CG 4.26Å; F637-R652 PolarHBondContact O-NE 3.48Å; F637-R652 PolarHBondContact O-NH2 3.41Å; F637-Y655 HydrophobicContact CD2-CD1 4.11Å; F637-Y655 HydrophobicContact CD2-CD2 4.07Å; F637-Y655 AromaticContact CD2-CG 3.79Å; F637-Y655 HydrophobicContact CD2-CG 3.79Å; F637-Y655 HydrophobicContact CE2-CD1 4.37Å; F637-Y655 AromaticContact CE2-CD2 3.51Å; F637-Y655 HydrophobicContact CE2-CD2 3.51Å; F637-Y655 HydrophobicContact CE2-CE2 4.18Å; F637-Y655 AromaticContact CE2-CG 3.63Å; F637-Y655 HydrophobicContact CE2-CG 3.63Å
638	F	98.2	Very high	96.2	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.026	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	24.4	-178.4	-53.6	-65.8	0	0	0	113.4	P583 Y585 D586 P631 K636 R652 F653 F656	P583-F638 HydrophobicContact CB-CB 4.38Å; P583-F638 HydrophobicContact CB-CD1 3.58Å; P583-F638 HydrophobicContact CB-CD2 3.73Å; P583-F638 HydrophobicContact CB-CE1 3.72Å; P583-F638 HydrophobicContact CB-CE2 3.87Å; P583-F638 HydrophobicContact CB-CG 3.6Å; P583-F638 HydrophobicContact CB-CZ 3.86Å; P583-F638 HydrophobicContact CG-CD1 4.22Å; P583-F638 HydrophobicContact CG-CE1 3.89Å; P583-F638 HydrophobicContact CG-CE2 4.41Å; P583-F638 HydrophobicContact CG-CZ 4Å; Y585-F638 CarbonylContact C-O 3.58Å; Y585-F638 WeakPolarHBondContact CA-O 3.18Å; Y585-F638 HydrophobicContact CD1-CB 4.2Å; Y585-F638 AromaticContact CD1-CD1 3.82Å; Y585-F638 HydrophobicContact CD1-CD1 3.82Å; Y585-F638 HydrophobicContact CD1-CG 4.41Å; Y585-F638 AromaticContact CE1-CD1 3.58Å; Y585-F638 HydrophobicContact CE1-CD1 3.58Å; Y585-F638 HydrophobicContact CE1-CE1 4.13Å; D586-F638 PolarHBondContact N-O 2.98Å; P631-F638 HydrophobicContact CG-CD2 3.76Å; P631-F638 HydrophobicContact CG-CE2 3.97Å; K636-F638 VanDerWaalsContact C-N 3.25Å; K636-F638 PolarHBondContact O-N 3.18Å; K636-F638 VanDerWaalsContact O-N 3.1Å; F638-R652 HydrophobicContact CE1-CB 4.17Å; F638-R652 HydrophobicContact CZ-CB 4.27Å; F638-R652 VanDerWaalsContact CZ-O 3.31Å; F638-R652 WeakPolarHBondContact CZ-O 3.44Å; F638-F653 HydrophobicContact CE1-CD1 4.25Å; F638-F653 AromaticContact CE1-CE1 3.87Å; F638-F653 HydrophobicContact CE1-CE1 3.87Å; F638-F653 HydrophobicContact CE1-CZ 4.35Å; F638-F653 HydrophobicContact CZ-CD1 4.45Å; F638-F653 HydrophobicContact CZ-CE1 4.49Å; F638-F656 HydrophobicContact CE2-CB 4Å; F638-F656 HydrophobicContact CZ-CB 3.75Å; F638-F656 HydrophobicContact CZ-CG 4.46Å
639	W	97.1	Very high	96.2	Very high	161 Å²	161	60.4 Å²	60.4	61%	0.61	32%	0.316	S	S	*	.			trans	-120.3	67.7	174.7	-144.9	-47.7	0	0	0	109.8	D586 K636	D586-W639 HydrophobicContact CB-CD2 4.45Å; D586-W639 HydrophobicContact CB-CG 4.09Å; D586-W639 VanDerWaalsContact CG-CA 3.49Å; D586-W639 VanDerWaalsContact OD2-C 3.23Å; D586-W639 WeakPolarHBondContact OD2-CA 3.17Å; K636-W639 HydrophobicContact CB-CB 3.97Å; K636-W639 HydrophobicContact CD-CB 4.47Å; K636-W639 PolarHBondContact O-N 3.1Å; K636-W639 VanDerWaalsContact O-N 3.1Å
640	R	96.4	Very high	96.2	Very high	64 Å²	64	61.1 Å²	61.1	24%	0.242	32%	0.319	C	S	.	.	S	Bend	trans	-131.4	-7.9	-168	-55.7	-62.9	-176.5	80.1	2.9	113.5	D586 S635 K636 F637 Q642 E646 D648	D586-R640 VanDerWaalsContact CG-N 3.34Å; D586-R640 PolarHBondContact OD1-N 3.43Å; D586-R640 PolarHBondContact OD2-N 2.92Å; S635-R640 PolarHBondContact O-NH2 3.43Å; K636-R640 PolarHBondContact O-NE 3.23Å; F637-R640 WeakPolarHBondContact O-CG 3.02Å; R640-Q642 PolarHBondContact O-N 3.4Å; R640-E646 HydrophobicContact CB-CG 4.23Å; R640-E646 VanDerWaalsContact CD-OE2 3.25Å; R640-E646 WeakPolarHBondContact CD-OE2 3.24Å; R640-E646 HydrophobicContact CG-CG 4.11Å; R640-E646 WeakPolarHBondContact CG-OE2 3.4Å; R640-E646 IonicContact CZ-OE2 2.95Å; R640-E646 IonicContact NE-OE2 3.53Å; R640-E646 IonicContact NH1-OE2 3.86Å; R640-E646 PolarHBondContact NH1-OE2 2.8Å; R640-D648 IonicContact CZ-OD1 3.71Å; R640-D648 IonicContact CZ-OD2 3.24Å; R640-D648 IonicContact NH1-OD1 3.12Å; R640-D648 PolarHBondContact NH1-OD1 2.91Å; R640-D648 IonicContact NH1-OD2 3.28Å; R640-D648 IonicContact NH2-OD1 2.71Å; R640-D648 PolarHBondContact NH2-OD1 2.96Å; R640-D648 IonicContact NH2-OD2 2.73Å; R640-D648 PolarHBondContact NH2-OD2 3.03Å
641	G	94.5	Very high	96.2	Very high	47 Å²	47	62.5 Å²	62.5	49%	0.485	32%	0.323	S	S	.	.	S	Bend	trans	69.6	5.6	-168.7	0	0	0	0	0	114.4	D586	D586-G641 VanDerWaalsContact CG-N 3.28Å; D586-G641 PolarHBondContact OD1-N 3.04Å; D586-G641 PolarHBondContact OD2-N 2.75Å
642	Q	92	Very high	96.2	Very high	98 Å²	98	61.6 Å²	61.6	46%	0.458	32%	0.317	S	S	.	.			trans	-140.6	138.8	-174	-58.3	-164.9	105.9	0	0	112.6	R640 E646 R652	R640-Q642 PolarHBondContact O-N 3.4Å; Q642-E646 PolarHBondContact NE2-OE1 2.71Å; Q642-R652 PolarHBondContact O-NH2 3.01Å
643	F	94	Very high	96.3	Very high	35 Å²	35	56.4 Å²	56.4	15%	0.154	29%	0.293	C	S	.	.	S	Bend	trans	-69.6	-50.2	171.7	-60.2	-71.1	0	0	0	111.5	A555 V557 Y585 C587 R652 F653	A555-F643 HydrophobicContact CB-CD1 4.31Å; A555-F643 HydrophobicContact CB-CE1 3.65Å; A555-F643 HydrophobicContact CB-CZ 4.34Å; V557-F643 HydrophobicContact CG2-CB 3.63Å; V557-F643 HydrophobicContact CG2-CD2 3.54Å; V557-F643 HydrophobicContact CG2-CE2 4.46Å; V557-F643 HydrophobicContact CG2-CG 3.8Å; Y585-F643 AromaticContact CD1-CD1 3.81Å; Y585-F643 HydrophobicContact CD1-CD1 3.81Å; Y585-F643 HydrophobicContact CD1-CE1 4.43Å; Y585-F643 AromaticContact CD2-CD1 3.64Å; Y585-F643 HydrophobicContact CD2-CD1 3.64Å; Y585-F643 AromaticContact CD2-CE1 3.72Å; Y585-F643 HydrophobicContact CD2-CE1 3.72Å; Y585-F643 HydrophobicContact CE1-CB 4.36Å; Y585-F643 AromaticContact CE1-CD1 3.9Å; Y585-F643 HydrophobicContact CE1-CD1 3.9Å; Y585-F643 AromaticContact CE2-CD1 3.71Å; Y585-F643 HydrophobicContact CE2-CD1 3.71Å; Y585-F643 HydrophobicContact CE2-CE1 4.15Å; Y585-F643 AromaticContact CG-CD1 3.67Å; Y585-F643 HydrophobicContact CG-CD1 3.67Å; Y585-F643 AromaticContact CG-CE1 3.85Å; Y585-F643 HydrophobicContact CG-CE1 3.85Å; Y585-F643 AromaticContact CZ-CD1 3.82Å; C587-F643 VanDerWaalsContact O-CZ 3.29Å; C587-F643 WeakPolarHBondContact O-CZ 3.49Å; F643-R652 PolarHBondContact O-NH1 2.71Å; F643-R652 PolarHBondContact O-NH2 2.73Å; F643-F653 WeakPolarHBondContact O-CZ 3.47Å
644	Y	94	Very high	96.4	Very high	50 Å²	50	56 Å²	56	20%	0.196	29%	0.291	C	S	.	.	S	Bend	trans	-134.1	169.8	-177	-53.3	-54.4	0	0	0	112	A549 E550 V557 F653 Q680	A549-Y644 HydrophobicContact CB-CE1 3.77Å; A549-Y644 WeakPolarHBondContact CB-OH 3.28Å; E550-Y644 HydrophobicContact CG-CE2 4.34Å; E550-Y644 WeakPolarHBondContact CG-OH 3.38Å; E550-Y644 WeakPolarHBondContact OE1-CE2 3.32Å; E550-Y644 PolarHBondContact OE1-OH 2.65Å; V557-Y644 HydrophobicContact CB-CD2 4.26Å; V557-Y644 HydrophobicContact CB-CE2 4Å; V557-Y644 HydrophobicContact CG1-CD2 4.21Å; V557-Y644 HydrophobicContact CG1-CE2 4.36Å; V557-Y644 HydrophobicContact CG2-CD2 3.89Å; V557-Y644 HydrophobicContact CG2-CE2 3.82Å; Y644-F653 AromaticContact CD1-CE2 3.74Å; Y644-F653 HydrophobicContact CD1-CE2 3.74Å; Y644-F653 AromaticContact CD1-CZ 3.56Å; Y644-F653 HydrophobicContact CD1-CZ 3.56Å; Y644-F653 HydrophobicContact CE1-CE1 4.32Å; Y644-F653 HydrophobicContact CE1-CE2 4.12Å; Y644-F653 AromaticContact CE1-CZ 3.65Å; Y644-F653 HydrophobicContact CE1-CZ 3.65Å; Y644-Q680 HydrophobicContact CE1-CG 4Å
645	G	91.5	Very high	96.4	Very high	64 Å²	64	51.2 Å²	51.2	66%	0.66	26%	0.26	S	S	*	.			trans	97.9	7.9	172	0	0	0	0	0	114.1	D649	G645-D649 PolarHBondContact N-OD2 2.74Å
646	E	94.9	Very high	96.5	Very high	41 Å²	41	48.8 Å²	48.8	19%	0.192	24%	0.243	C	C	.	.			trans	-80	144.1	176.4	-59.6	-75.1	116.5	0	0	110.3	R640 Q642 D648 D649	R640-E646 HydrophobicContact CB-CG 4.23Å; R640-E646 VanDerWaalsContact CD-OE2 3.25Å; R640-E646 WeakPolarHBondContact CD-OE2 3.24Å; R640-E646 HydrophobicContact CG-CG 4.11Å; R640-E646 WeakPolarHBondContact CG-OE2 3.4Å; R640-E646 IonicContact CZ-OE2 2.95Å; R640-E646 IonicContact NE-OE2 3.53Å; R640-E646 IonicContact NH1-OE2 3.86Å; R640-E646 PolarHBondContact NH1-OE2 2.8Å; Q642-E646 PolarHBondContact NE2-OE1 2.71Å; E646-D648 PolarHBondContact O-N 3.29Å; E646-D649 WeakPolarHBondContact CB-OD1 3.42Å; E646-D649 PolarHBondContact N-OD1 2.86Å; E646-D649 VanDerWaalsContact O-CB 3.29Å; E646-D649 WeakPolarHBondContact O-CB 3.35Å; E646-D649 VanDerWaalsContact O-CG 3.31Å; E646-D649 PolarHBondContact O-N 2.89Å
647	Q	95	Very high	96.6	Very high	198 Å²	198	42.6 Å²	42.6	93%	0.925	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.4	-177.3	-170.8	58.2	76	0	0	113.6
648	D	96.7	Very high	96.6	Very high	35 Å²	35	43.3 Å²	43.3	19%	0.187	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	19.6	175.2	71.9	-33.1	0	0	0	113.7	R640 E646 F650 R651 R652	R640-D648 IonicContact CZ-OD1 3.71Å; R640-D648 IonicContact CZ-OD2 3.24Å; R640-D648 IonicContact NH1-OD1 3.12Å; R640-D648 PolarHBondContact NH1-OD1 2.91Å; R640-D648 IonicContact NH1-OD2 3.28Å; R640-D648 IonicContact NH2-OD1 2.71Å; R640-D648 PolarHBondContact NH2-OD1 2.96Å; R640-D648 IonicContact NH2-OD2 2.73Å; R640-D648 PolarHBondContact NH2-OD2 3.03Å; E646-D648 PolarHBondContact O-N 3.29Å; D648-F650 PolarHBondContact O-N 3.11Å; D648-F650 VanDerWaalsContact O-N 3.09Å; D648-R651 HydrophobicContact CB-CB 4.47Å; D648-R651 WeakPolarHBondContact O-CA 3.38Å; D648-R651 WeakPolarHBondContact O-CB 3.49Å; D648-R651 PolarHBondContact O-N 2.68Å; D648-R652 WeakPolarHBondContact O-CG 3.37Å; D648-R652 PolarHBondContact O-N 2.64Å
649	D	97.9	Very high	96.6	Very high	24 Å²	24	43.1 Å²	43.1	13%	0.128	22%	0.218	C	C	.	.	H	α-helix	trans	-46	-41.8	179.7	-97.5	3.1	0	0	0	113.3	G645 E646 R651 R652 F653 W679	G645-D649 PolarHBondContact N-OD2 2.74Å; E646-D649 WeakPolarHBondContact CB-OD1 3.42Å; E646-D649 PolarHBondContact N-OD1 2.86Å; E646-D649 VanDerWaalsContact O-CB 3.29Å; E646-D649 WeakPolarHBondContact O-CB 3.35Å; E646-D649 VanDerWaalsContact O-CG 3.31Å; E646-D649 PolarHBondContact O-N 2.89Å; D649-R651 VanDerWaalsContact C-N 3.32Å; D649-R651 PolarHBondContact O-N 3.02Å; D649-R652 PolarHBondContact O-N 3.37Å; D649-R652 WeakPolarHBondContact OD1-CD 3.32Å; D649-R652 IonicContact OD1-CZ 3.9Å; D649-R652 IonicContact OD1-NE 2.72Å; D649-R652 IonicContact OD1-NH1 3.69Å; D649-R652 PolarHBondContact OD1-NH1 2.97Å; D649-F653 HydrophobicContact CB-CD2 4.37Å; D649-F653 HydrophobicContact CB-CE2 4.43Å; D649-F653 WeakPolarHBondContact O-CD2 3.42Å; D649-F653 PolarHBondContact O-N 3.15Å; D649-W679 HydrophobicContact CB-CH2 4.01Å; D649-W679 HydrophobicContact CB-CZ2 4.3Å
650	F	98.2	Very high	96.7	Very high	14 Å²	14	35.4 Å²	35.4	6%	0.061	19%	0.189	C	C	.	.	H	α-helix	trans	-58.6	-41.9	176.1	-170.7	-83.1	0	0	0	112.6	D648 S654 W679 F683 G713 A715 E719 L720 V745 P747	D648-F650 PolarHBondContact O-N 3.11Å; D648-F650 VanDerWaalsContact O-N 3.09Å; F650-S654 VanDerWaalsContact O-CB 3.23Å; F650-S654 WeakPolarHBondContact O-CB 3.39Å; F650-S654 PolarHBondContact O-N 3.4Å; F650-S654 PolarHBondContact O-OG 3.08Å; F650-W679 HydrophobicContact CD2-CZ3 4.42Å; F650-F683 HydrophobicContact CD1-CZ 4.39Å; F650-F683 HydrophobicContact CD2-CE1 4.43Å; F650-F683 AromaticContact CD2-CZ 3.87Å; F650-F683 HydrophobicContact CD2-CZ 3.87Å; F650-F683 AromaticContact CE1-CE1 3.93Å; F650-F683 HydrophobicContact CE1-CE1 3.93Å; F650-F683 HydrophobicContact CE1-CZ 4.12Å; F650-F683 AromaticContact CE2-CE1 3.75Å; F650-F683 HydrophobicContact CE2-CE1 3.75Å; F650-F683 AromaticContact CE2-CZ 3.61Å; F650-F683 HydrophobicContact CE2-CZ 3.61Å; F650-F683 HydrophobicContact CG-CZ 4.29Å; F650-F683 AromaticContact CZ-CE1 3.47Å; F650-F683 HydrophobicContact CZ-CE1 3.47Å; F650-F683 VanDerWaalsContact CZ-CE1 3.47Å; F650-F683 AromaticContact CZ-CZ 3.76Å; F650-F683 HydrophobicContact CZ-CZ 3.76Å; F650-G713 VanDerWaalsContact CD2-O 3.25Å; F650-G713 WeakPolarHBondContact CD2-O 3.25Å; F650-G713 WeakPolarHBondContact CE2-O 3.43Å; F650-A715 HydrophobicContact CB-CB 4.29Å; F650-A715 HydrophobicContact CD1-CB 4.26Å; F650-A715 HydrophobicContact CD2-CB 3.27Å; F650-A715 HydrophobicContact CE1-CB 4.42Å; F650-A715 HydrophobicContact CE2-CB 3.42Å; F650-A715 VanDerWaalsContact CE2-CB 3.42Å; F650-A715 HydrophobicContact CG-CB 3.7Å; F650-A715 HydrophobicContact CZ-CB 4.01Å; F650-E719 HydrophobicContact CD1-CB 3.62Å; F650-E719 HydrophobicContact CE1-CB 3.5Å; F650-E719 HydrophobicContact CZ-CB 4.37Å; F650-L720 HydrophobicContact CZ-CD1 4.43Å; F650-V745 HydrophobicContact CZ-CG2 4.25Å; F650-P747 HydrophobicContact CD2-CG 4.3Å; F650-P747 HydrophobicContact CE2-CG 3.56Å; F650-P747 HydrophobicContact CZ-CG 4.34Å
651	R	98.3	Very high	96.8	Very high	57 Å²	57	32.4 Å²	32.4	22%	0.215	18%	0.178	C	C	.	.	H	α-helix	trans	-74.9	-37.6	177.6	-71.7	172.3	53.9	78.4	-1.7	111.9	F607 D608 F637 D648 D649 F653 S654 Y655 S722	F607-R651 HydrophobicContact CE1-CB 4.32Å; F607-R651 HydrophobicContact CZ-CB 4.04Å; F607-R651 HydrophobicContact CZ-CG 4.33Å; F607-R651 WeakPolarHBondContact CZ-O 3.33Å; D608-R651 IonicContact OD1-NH1 2.64Å; D608-R651 PolarHBondContact OD1-NH1 3.22Å; D608-R651 IonicContact OD2-CZ 3.51Å; D608-R651 VanDerWaalsContact OD2-CZ 3.28Å; D608-R651 IonicContact OD2-NH1 2.65Å; D608-R651 PolarHBondContact OD2-NH1 2.77Å; D608-R651 IonicContact OD2-NH2 3.84Å; D608-R651 PolarHBondContact OD2-NH2 3.41Å; F637-R651 HydrophobicContact CE1-CB 4.32Å; D648-R651 HydrophobicContact CB-CB 4.47Å; D648-R651 WeakPolarHBondContact O-CA 3.38Å; D648-R651 WeakPolarHBondContact O-CB 3.49Å; D648-R651 PolarHBondContact O-N 2.68Å; D649-R651 VanDerWaalsContact C-N 3.32Å; D649-R651 PolarHBondContact O-N 3.02Å; R651-F653 PolarHBondContact O-N 3.47Å; R651-S654 PolarHBondContact O-OG 2.87Å; R651-Y655 VanDerWaalsContact O-CB 3.24Å; R651-Y655 WeakPolarHBondContact O-CB 3.49Å; R651-Y655 PolarHBondContact O-N 3.06Å; R651-Y655 VanDerWaalsContact O-N 3.09Å; R651-S722 PolarHBondContact NH1-OG 2.82Å
652	R	98.3	Very high	97	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-54.6	-53.1	173.1	-63.1	171.8	74.2	-141.8	6.4	110.7	F637 F638 Q642 F643 D648 D649 F656	F637-R652 HydrophobicContact CB-CB 4.2Å; F637-R652 HydrophobicContact CB-CG 4Å; F637-R652 HydrophobicContact CD1-CB 4.33Å; F637-R652 HydrophobicContact CD1-CG 3.76Å; F637-R652 HydrophobicContact CG-CG 4.26Å; F637-R652 PolarHBondContact O-NE 3.48Å; F637-R652 PolarHBondContact O-NH2 3.41Å; F638-R652 HydrophobicContact CE1-CB 4.17Å; F638-R652 HydrophobicContact CZ-CB 4.27Å; F638-R652 VanDerWaalsContact CZ-O 3.31Å; F638-R652 WeakPolarHBondContact CZ-O 3.44Å; Q642-R652 PolarHBondContact O-NH2 3.01Å; F643-R652 PolarHBondContact O-NH1 2.71Å; F643-R652 PolarHBondContact O-NH2 2.73Å; D648-R652 WeakPolarHBondContact O-CG 3.37Å; D648-R652 PolarHBondContact O-N 2.64Å; D649-R652 PolarHBondContact O-N 3.37Å; D649-R652 WeakPolarHBondContact OD1-CD 3.32Å; D649-R652 IonicContact OD1-CZ 3.9Å; D649-R652 IonicContact OD1-NE 2.72Å; D649-R652 IonicContact OD1-NH1 3.69Å; D649-R652 PolarHBondContact OD1-NH1 2.97Å; R652-F656 PolarHBondContact O-N 3.43Å
653	F	98.7	Very high	97.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-85.7	-28.9	-170.1	-68.5	-64	0	0	0	114.7	A549 F638 F643 Y644 D649 R651 F656 S657 W679 Q680	A549-F653 HydrophobicContact CB-CD1 4.26Å; A549-F653 HydrophobicContact CB-CE1 3.74Å; A549-F653 HydrophobicContact CB-CZ 4.39Å; F638-F653 HydrophobicContact CE1-CD1 4.25Å; F638-F653 AromaticContact CE1-CE1 3.87Å; F638-F653 HydrophobicContact CE1-CE1 3.87Å; F638-F653 HydrophobicContact CE1-CZ 4.35Å; F638-F653 HydrophobicContact CZ-CD1 4.45Å; F638-F653 HydrophobicContact CZ-CE1 4.49Å; F643-F653 WeakPolarHBondContact O-CZ 3.47Å; Y644-F653 AromaticContact CD1-CE2 3.74Å; Y644-F653 HydrophobicContact CD1-CE2 3.74Å; Y644-F653 AromaticContact CD1-CZ 3.56Å; Y644-F653 HydrophobicContact CD1-CZ 3.56Å; Y644-F653 HydrophobicContact CE1-CE1 4.32Å; Y644-F653 HydrophobicContact CE1-CE2 4.12Å; Y644-F653 AromaticContact CE1-CZ 3.65Å; Y644-F653 HydrophobicContact CE1-CZ 3.65Å; D649-F653 HydrophobicContact CB-CD2 4.37Å; D649-F653 HydrophobicContact CB-CE2 4.43Å; D649-F653 WeakPolarHBondContact O-CD2 3.42Å; D649-F653 PolarHBondContact O-N 3.15Å; R651-F653 PolarHBondContact O-N 3.47Å; F653-F656 PolarHBondContact O-N 3.03Å; F653-S657 WeakPolarHBondContact O-CB 3.31Å; F653-S657 PolarHBondContact O-N 3.02Å; F653-S657 PolarHBondContact O-OG 3.3Å; F653-W679 HydrophobicContact CB-CH2 4.43Å; F653-W679 HydrophobicContact CB-CZ3 4.41Å; F653-W679 AromaticContact CD2-CH2 3.83Å; F653-W679 HydrophobicContact CD2-CH2 3.83Å; F653-W679 HydrophobicContact CD2-CZ2 4.16Å; F653-Q680 HydrophobicContact CB-CB 3.82Å; F653-Q680 HydrophobicContact CB-CG 4.22Å; F653-Q680 WeakPolarHBondContact CB-O 3.46Å; F653-Q680 HydrophobicContact CD1-CB 3.76Å; F653-Q680 HydrophobicContact CD1-CG 3.91Å; F653-Q680 HydrophobicContact CD2-CB 4.19Å; F653-Q680 HydrophobicContact CD2-CG 3.65Å; F653-Q680 HydrophobicContact CE1-CB 4.39Å; F653-Q680 HydrophobicContact CE1-CG 4.18Å; F653-Q680 HydrophobicContact CE2-CG 3.96Å; F653-Q680 HydrophobicContact CG-CB 3.65Å; F653-Q680 HydrophobicContact CG-CG 3.65Å; F653-Q680 HydrophobicContact CZ-CG 4.21Å
654	S	98.5	Very high	97.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-68.4	-35.5	168.1	59.7	0	0	0	0	112.5	F650 R651 R658	F650-S654 VanDerWaalsContact O-CB 3.23Å; F650-S654 WeakPolarHBondContact O-CB 3.39Å; F650-S654 PolarHBondContact O-N 3.4Å; F650-S654 PolarHBondContact O-OG 3.08Å; R651-S654 PolarHBondContact O-OG 2.87Å; S654-R658 PolarHBondContact O-N 2.73Å
655	Y	98.7	Very high	97.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.7	-50.4	169.6	-179.2	-77	0	0	0	110.9	F607 Y612 N614 P631 H633 F637 R651 S657 R658 A659	F607-Y655 HydrophobicContact CB-CD2 3.7Å; F607-Y655 HydrophobicContact CB-CE2 3.93Å; F607-Y655 AromaticContact CD1-CD2 4Å; F607-Y655 HydrophobicContact CD1-CD2 4Å; F607-Y655 AromaticContact CD2-CD2 3.66Å; F607-Y655 HydrophobicContact CD2-CD2 3.66Å; F607-Y655 HydrophobicContact CD2-CG 4.24Å; F607-Y655 HydrophobicContact CE1-CD2 4.48Å; F607-Y655 HydrophobicContact CE2-CD2 4.21Å; F607-Y655 HydrophobicContact CE2-CG 4.43Å; F607-Y655 AromaticContact CG-CD2 3.55Å; F607-Y655 HydrophobicContact CG-CD2 3.55Å; F607-Y655 HydrophobicContact CG-CE2 4.28Å; F607-Y655 HydrophobicContact CG-CG 4.5Å; Y612-Y655 HydrophobicContact CD2-CE2 4.41Å; N614-Y655 PolarHBondContact ND2-OH 3.42Å; N614-Y655 VanDerWaalsContact OD1-CE1 3.23Å; N614-Y655 WeakPolarHBondContact OD1-CE1 3.27Å; N614-Y655 PolarHBondContact OD1-OH 3.2Å; P631-Y655 HydrophobicContact CB-CD1 4.24Å; P631-Y655 HydrophobicContact CB-CE1 3.51Å; P631-Y655 HydrophobicContact CG-CD1 4.01Å; P631-Y655 HydrophobicContact CG-CE1 3.58Å; H633-Y655 HydrophobicContact CB-CE2 4.18Å; F637-Y655 HydrophobicContact CD2-CD1 4.11Å; F637-Y655 HydrophobicContact CD2-CD2 4.07Å; F637-Y655 AromaticContact CD2-CG 3.79Å; F637-Y655 HydrophobicContact CD2-CG 3.79Å; F637-Y655 HydrophobicContact CE2-CD1 4.37Å; F637-Y655 AromaticContact CE2-CD2 3.51Å; F637-Y655 HydrophobicContact CE2-CD2 3.51Å; F637-Y655 HydrophobicContact CE2-CE2 4.18Å; F637-Y655 AromaticContact CE2-CG 3.63Å; F637-Y655 HydrophobicContact CE2-CG 3.63Å; R651-Y655 VanDerWaalsContact O-CB 3.24Å; R651-Y655 WeakPolarHBondContact O-CB 3.49Å; R651-Y655 PolarHBondContact O-N 3.06Å; R651-Y655 VanDerWaalsContact O-N 3.09Å; Y655-S657 PolarHBondContact O-N 3.35Å; Y655-R658 PolarHBondContact O-N 2.74Å; Y655-A659 HydrophobicContact CD1-CB 4.41Å; Y655-A659 HydrophobicContact CE1-CB 4.05Å; Y655-A659 PolarHBondContact O-N 2.95Å
656	F	98.8	Very high	97.8	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.6	-45.7	-179.7	167.3	-112.2	0	0	0	112.4	I547 A548 I581 L582 P583 I629 F638 R652 F653 R658 A659 A660 T681	I547-F656 HydrophobicContact CG2-CE1 3.79Å; I547-F656 HydrophobicContact CG2-CZ 3.93Å; A548-F656 VanDerWaalsContact O-CE1 3.27Å; A548-F656 WeakPolarHBondContact O-CE1 3.41Å; A548-F656 WeakPolarHBondContact O-CZ 3.42Å; I581-F656 HydrophobicContact CG2-CE2 3.96Å; I581-F656 HydrophobicContact CG2-CZ 4.11Å; L582-F656 WeakPolarHBondContact O-CE2 3.29Å; P583-F656 HydrophobicContact CB-CD2 4.36Å; P583-F656 HydrophobicContact CG-CD1 4.02Å; P583-F656 HydrophobicContact CG-CD2 3.86Å; P583-F656 HydrophobicContact CG-CE1 4.12Å; P583-F656 HydrophobicContact CG-CE2 3.97Å; P583-F656 HydrophobicContact CG-CG 3.89Å; P583-F656 HydrophobicContact CG-CZ 4.1Å; I629-F656 HydrophobicContact CB-CD2 4.4Å; I629-F656 HydrophobicContact CB-CE2 4.43Å; I629-F656 HydrophobicContact CD1-CD2 4.21Å; I629-F656 HydrophobicContact CD1-CE2 3.98Å; I629-F656 HydrophobicContact CG1-CE2 4.31Å; F638-F656 HydrophobicContact CE2-CB 4Å; F638-F656 HydrophobicContact CZ-CB 3.75Å; F638-F656 HydrophobicContact CZ-CG 4.46Å; R652-F656 PolarHBondContact O-N 3.43Å; F653-F656 PolarHBondContact O-N 3.03Å; F656-R658 PolarHBondContact O-N 3.38Å; F656-A659 PolarHBondContact O-N 2.78Å; F656-A659 VanDerWaalsContact O-N 3.13Å; F656-A660 HydrophobicContact CE2-CB 4.49Å; F656-A660 WeakPolarHBondContact O-CB 3.12Å; F656-A660 PolarHBondContact O-N 3.27Å; F656-T681 HydrophobicContact CD1-CG2 4.28Å; F656-T681 HydrophobicContact CE1-CG2 3.91Å
657	S	98.8	Very high	97.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-56	-37.9	176	-64.2	0	0	0	0	112.7	F653 Y655 Q680	F653-S657 WeakPolarHBondContact O-CB 3.31Å; F653-S657 PolarHBondContact O-N 3.02Å; F653-S657 PolarHBondContact O-OG 3.3Å; Y655-S657 PolarHBondContact O-N 3.35Å; S657-Q680 PolarHBondContact OG-O 3.42Å; S657-Q680 VanDerWaalsContact OG-O 3.04Å
658	R	98.7	Very high	97.6	Very high	16 Å²	16	20.2 Å²	20.2	6%	0.06	12%	0.117	C	C	.	.	H	α-helix	trans	-71.6	-46.9	174.9	-176.2	66.4	-166.4	-95.9	-5.4	111.8	S654 Y655 F656 A660 L661 E662 L687 Y692 C723	S654-R658 PolarHBondContact O-N 2.73Å; Y655-R658 PolarHBondContact O-N 2.74Å; F656-R658 PolarHBondContact O-N 3.38Å; R658-A660 VanDerWaalsContact C-N 3.3Å; R658-A660 PolarHBondContact O-N 2.64Å; R658-L661 PolarHBondContact O-N 3.23Å; R658-E662 IonicContact CZ-OE1 3.78Å; R658-E662 IonicContact NE-OE1 3.94Å; R658-E662 PolarHBondContact NE-OE1 3.42Å; R658-E662 VanDerWaalsContact NE-OE1 3.07Å; R658-E662 IonicContact NH2-OE1 3.79Å; R658-E662 PolarHBondContact NH2-OE1 3.22Å; R658-E662 PolarHBondContact O-N 2.87Å; R658-L687 HydrophobicContact CB-CD1 4.19Å; R658-Y692 WeakPolarHBondContact CD-OH 3.5Å; R658-Y692 PolarHBondContact NE-OH 2.8Å; R658-Y692 PolarHBondContact O-OH 2.69Å; R658-C723 HydrophobicContact CB-CB 4.24Å; R658-C723 WeakPolarHBondContact CD-O 3.36Å; R658-C723 PolarHBondContact NH1-O 3.26Å
659	A	98.5	Very high	97.5	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-62.4	-34.2	179.2	0	0	0	0	0	113	S605 I629 Y655 F656 E662 L663	S605-A659 WeakPolarHBondContact OG-CA 3.44Å; S605-A659 PolarHBondContact OG-N 3.47Å; I629-A659 HydrophobicContact CD1-CB 4.1Å; I629-A659 HydrophobicContact CG2-CB 3.97Å; Y655-A659 HydrophobicContact CD1-CB 4.41Å; Y655-A659 HydrophobicContact CE1-CB 4.05Å; Y655-A659 PolarHBondContact O-N 2.95Å; F656-A659 PolarHBondContact O-N 2.78Å; F656-A659 VanDerWaalsContact O-N 3.13Å; A659-E662 PolarHBondContact O-N 3.33Å; A659-L663 WeakPolarHBondContact O-CB 3.12Å; A659-L663 PolarHBondContact O-N 2.7Å
660	A	98.6	Very high	97.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.3	-39.7	175.8	0	0	0	0	0	112.9	I547 I581 I629 F656 R658 L663 L664	I547-A660 HydrophobicContact CD1-CB 3.97Å; I547-A660 HydrophobicContact CG1-CB 4.49Å; I547-A660 HydrophobicContact CG2-CB 3.88Å; I581-A660 HydrophobicContact CD1-CB 4.3Å; I581-A660 HydrophobicContact CG2-CB 3.81Å; I629-A660 HydrophobicContact CD1-CB 4.09Å; F656-A660 HydrophobicContact CE2-CB 4.49Å; F656-A660 WeakPolarHBondContact O-CB 3.12Å; F656-A660 PolarHBondContact O-N 3.27Å; R658-A660 VanDerWaalsContact C-N 3.3Å; R658-A660 PolarHBondContact O-N 2.64Å; A660-L663 PolarHBondContact O-N 3.23Å; A660-L664 PolarHBondContact O-N 2.83Å
661	L	98.7	Very high	97.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-74.5	-34.6	175.2	-72.8	170.2	0	0	0	112.5	R658 L664 L665 I674 V684 L687 Y688 Y692 L697	R658-L661 PolarHBondContact O-N 3.23Å; L661-L664 HydrophobicContact CD2-CD1 4.48Å; L661-L664 PolarHBondContact O-N 3.37Å; L661-L665 WeakPolarHBondContact O-CB 3.49Å; L661-L665 PolarHBondContact O-N 3.26Å; L661-I674 HydrophobicContact CD2-CD1 4.08Å; L661-V684 HydrophobicContact CD1-CG1 4.17Å; L661-V684 HydrophobicContact CD2-CG1 4.22Å; L661-V684 HydrophobicContact CG-CG1 4.34Å; L661-L687 HydrophobicContact CD1-CB 3.56Å; L661-L687 HydrophobicContact CD1-CD1 4.36Å; L661-Y688 HydrophobicContact CD2-CD2 4.17Å; L661-Y692 HydrophobicContact CB-CD1 4Å; L661-Y692 HydrophobicContact CB-CD2 3.93Å; L661-Y692 HydrophobicContact CB-CE1 3.59Å; L661-Y692 HydrophobicContact CB-CE2 3.52Å; L661-Y692 HydrophobicContact CB-CG 4.13Å; L661-Y692 HydrophobicContact CD1-CD2 3.82Å; L661-Y692 HydrophobicContact CD1-CE2 3.77Å; L661-Y692 HydrophobicContact CG-CD2 4.41Å; L661-Y692 HydrophobicContact CG-CE2 4.28Å; L661-Y692 WeakPolarHBondContact O-CE1 3.3Å; L661-L697 HydrophobicContact CD2-CD2 4.29Å
662	E	98.2	Very high	97.2	Very high	14 Å²	14	23.1 Å²	23.1	7%	0.065	13%	0.13	C	C	.	.	H	α-helix	trans	-63.8	-39	170.2	-67	-57.3	168.7	0	0	112	V603 R658 A659 L664 L665 Q666 Y692	V603-E662 HydrophobicContact CG1-CB 3.89Å; R658-E662 IonicContact CZ-OE1 3.78Å; R658-E662 IonicContact NE-OE1 3.94Å; R658-E662 PolarHBondContact NE-OE1 3.42Å; R658-E662 VanDerWaalsContact NE-OE1 3.07Å; R658-E662 IonicContact NH2-OE1 3.79Å; R658-E662 PolarHBondContact NH2-OE1 3.22Å; R658-E662 PolarHBondContact O-N 2.87Å; A659-E662 PolarHBondContact O-N 3.33Å; E662-L664 PolarHBondContact O-N 3.06Å; E662-L665 PolarHBondContact O-N 2.84Å; E662-Q666 VanDerWaalsContact O-CB 3.29Å; E662-Q666 WeakPolarHBondContact O-CB 3.49Å; E662-Q666 VanDerWaalsContact O-CG 3.31Å; E662-Q666 WeakPolarHBondContact O-CG 3.29Å; E662-Q666 PolarHBondContact O-N 2.88Å; E662-Q666 PolarHBondContact OE2-NE2 2.87Å; E662-Y692 HydrophobicContact CG-CE1 4.36Å; E662-Y692 WeakPolarHBondContact CG-OH 3.46Å; E662-Y692 PolarHBondContact N-OH 2.84Å; E662-Y692 PolarHBondContact OE1-OH 2.9Å
663	L	97.8	Very high	97.2	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.026	13%	0.13	C	C	.	.	H	α-helix	trans	-58.2	-48	174.7	168.4	62.7	0	0	0	111.3	I581 V603 I616 H627 I629 A659 A660 S667	I581-L663 HydrophobicContact CD1-CD2 4.15Å; I581-L663 HydrophobicContact CG1-CD2 4.41Å; I581-L663 HydrophobicContact CG2-CD2 4.27Å; V603-L663 HydrophobicContact CG1-CB 4.49Å; V603-L663 HydrophobicContact CG2-CD1 4.05Å; I616-L663 HydrophobicContact CD1-CD1 4.06Å; I616-L663 HydrophobicContact CD1-CD2 4.39Å; I616-L663 HydrophobicContact CG1-CD1 3.99Å; I616-L663 HydrophobicContact CG2-CD1 3.96Å; I616-L663 HydrophobicContact CG2-CD2 4.4Å; H627-L663 HydrophobicContact CB-CD2 3.85Å; I629-L663 HydrophobicContact CD1-CD2 4.21Å; I629-L663 HydrophobicContact CG1-CD2 4.34Å; A659-L663 WeakPolarHBondContact O-CB 3.12Å; A659-L663 PolarHBondContact O-N 2.7Å; A660-L663 PolarHBondContact O-N 3.23Å; L663-S667 WeakPolarHBondContact O-CB 3.24Å; L663-S667 PolarHBondContact O-N 3.5Å; L663-S667 PolarHBondContact O-OG 3.4Å
664	L	97.8	Very high	97.3	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-62.7	-46.8	178.1	-70.1	172.9	0	0	0	111.9	V545 I581 A660 L661 E662 G668 K669 I674 L697	V545-L664 HydrophobicContact CG1-CD1 4.25Å; V545-L664 HydrophobicContact CG1-CD2 4.27Å; V545-L664 HydrophobicContact CG2-CD2 4.02Å; I581-L664 HydrophobicContact CD1-CD1 4.23Å; I581-L664 HydrophobicContact CD1-CD2 4.09Å; I581-L664 HydrophobicContact CD1-CG 3.96Å; A660-L664 PolarHBondContact O-N 2.83Å; L661-L664 HydrophobicContact CD2-CD1 4.48Å; L661-L664 PolarHBondContact O-N 3.37Å; E662-L664 PolarHBondContact O-N 3.06Å; L664-G668 PolarHBondContact O-N 3.38Å; L664-K669 HydrophobicContact CB-CB 4.5Å; L664-K669 HydrophobicContact CD2-CB 3.78Å; L664-K669 HydrophobicContact CD2-CG 4.17Å; L664-K669 PolarHBondContact O-N 3.2Å; L664-I674 HydrophobicContact CD1-CD1 3.86Å; L664-I674 HydrophobicContact CD1-CG1 4.26Å; L664-L697 HydrophobicContact CB-CD1 4.47Å; L664-L697 HydrophobicContact CB-CD2 3.92Å
665	L	97.5	Very high	97.3	Very high	46 Å²	46	23.1 Å²	23.1	24%	0.241	13%	0.13	C	C	.	.	H	α-helix	trans	-62.6	-50.9	179.6	178.7	65.2	0	0	0	112.1	L661 E662 S667 G668 Y692 K695 L697	L661-L665 WeakPolarHBondContact O-CB 3.49Å; L661-L665 PolarHBondContact O-N 3.26Å; E662-L665 PolarHBondContact O-N 2.84Å; L665-S667 VanDerWaalsContact C-N 3.29Å; L665-S667 PolarHBondContact O-N 3.08Å; L665-G668 PolarHBondContact O-N 3.34Å; L665-G668 VanDerWaalsContact O-N 3.13Å; L665-Y692 HydrophobicContact CB-CD1 4.13Å; L665-Y692 HydrophobicContact CB-CE1 4.25Å; L665-Y692 HydrophobicContact CD2-CD1 3.91Å; L665-Y692 HydrophobicContact CD2-CE1 4.03Å; L665-K695 HydrophobicContact CD1-CB 4.32Å; L665-K695 HydrophobicContact CD2-CB 4.2Å; L665-K695 HydrophobicContact CD2-CD 3.85Å; L665-L697 HydrophobicContact CB-CD2 4.28Å; L665-L697 HydrophobicContact CD1-CB 4.02Å
666	Q	95.7	Very high	97.3	Very high	93 Å²	93	23.1 Å²	23.1	44%	0.435	13%	0.13	S	C	.	.	H	α-helix	trans	-72.9	-22.2	-175.6	-66	172.5	33.2	0	0	112.4	E604 E662 G668	E604-Q666 PolarHBondContact O-NE2 2.86Å; E662-Q666 VanDerWaalsContact O-CB 3.29Å; E662-Q666 WeakPolarHBondContact O-CB 3.49Å; E662-Q666 VanDerWaalsContact O-CG 3.31Å; E662-Q666 WeakPolarHBondContact O-CG 3.29Å; E662-Q666 PolarHBondContact O-N 2.88Å; E662-Q666 PolarHBondContact OE2-NE2 2.87Å; Q666-G668 VanDerWaalsContact C-N 3.34Å
667	S	92.6	Very high	97.3	Very high	55 Å²	55	23.1 Å²	23.1	39%	0.385	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	3.2	171.9	-51	0	0	0	0	113.7	L663 L665 K669	L663-S667 WeakPolarHBondContact O-CB 3.24Å; L663-S667 PolarHBondContact O-N 3.5Å; L663-S667 PolarHBondContact O-OG 3.4Å; L665-S667 VanDerWaalsContact C-N 3.29Å; L665-S667 PolarHBondContact O-N 3.08Å; S667-K669 PolarHBondContact O-N 2.88Å; S667-K669 VanDerWaalsContact O-N 3.13Å
668	G	93.2	Very high	97.2	Very high	61 Å²	61	23.8 Å²	23.8	63%	0.629	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	12.8	-179	0	0	0	0	0	115.1	L664 L665 Q666 K670	L664-G668 PolarHBondContact O-N 3.38Å; L665-G668 PolarHBondContact O-N 3.34Å; L665-G668 VanDerWaalsContact O-N 3.13Å; Q666-G668 VanDerWaalsContact C-N 3.34Å; G668-K670 PolarHBondContact O-N 3.24Å
669	K	94.2	Very high	97.2	Very high	46 Å²	46	24.2 Å²	24.2	20%	0.2	14%	0.135	C	C	.	.			trans	-68.9	125	-177.4	-65.7	-60.4	-171.6	86.8	0	109.5	Y543 E579 L664 S667 P671 L697	Y543-K669 HydrophobicContact CE1-CB 4.07Å; Y543-K669 HydrophobicContact CE1-CD 4.21Å; Y543-K669 WeakPolarHBondContact OH-CD 3.42Å; Y543-K669 WeakPolarHBondContact OH-CG 3.46Å; Y543-K669 PolarHBondContact OH-NZ 2.63Å; E579-K669 IonicContact OE1-NZ 2.59Å; E579-K669 PolarHBondContact OE1-NZ 3Å; E579-K669 IonicContact OE2-NZ 2.69Å; E579-K669 PolarHBondContact OE2-NZ 3.37Å; L664-K669 HydrophobicContact CB-CB 4.5Å; L664-K669 HydrophobicContact CD2-CB 3.78Å; L664-K669 HydrophobicContact CD2-CG 4.17Å; L664-K669 PolarHBondContact O-N 3.2Å; S667-K669 PolarHBondContact O-N 2.88Å; S667-K669 VanDerWaalsContact O-N 3.13Å; K669-P671 VanDerWaalsContact C-CD 3.44Å; K669-P671 VanDerWaalsContact O-CD 3.23Å; K669-P671 WeakPolarHBondContact O-CD 3.27Å; K669-L697 WeakPolarHBondContact O-CD1 3.41Å
670	K	94.5	Very high	97.2	Very high	115 Å²	115	24.7 Å²	24.7	50%	0.5	14%	0.137	S	C	.	.			trans	-113.9	78.1	174.2	-77.8	-175.8	172.1	-71	0	111.3	G668 G696 D698 S699	G668-K670 PolarHBondContact O-N 3.24Å; K670-G696 PolarHBondContact NZ-O 3.15Å; K670-D698 IonicContact NZ-OD1 2.88Å; K670-D698 PolarHBondContact NZ-OD1 2.95Å; K670-S699 WeakPolarHBondContact CA-OG 3.49Å
671	P	96.9	Very high	97.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.137	C	C	.	.			trans	-67.2	153.3	176	26.1	-31.8	0	0	0	112.8	Y543 V545 K669 I674 S699 A700	Y543-P671 HydrophobicContact CD1-CB 3.83Å; Y543-P671 HydrophobicContact CE1-CB 3.94Å; Y543-P671 HydrophobicContact CE1-CG 4.5Å; Y543-P671 HydrophobicContact CG-CB 4.09Å; V545-P671 HydrophobicContact CG2-CB 3.87Å; V545-P671 HydrophobicContact CG2-CG 4.11Å; K669-P671 VanDerWaalsContact C-CD 3.44Å; K669-P671 VanDerWaalsContact O-CD 3.23Å; K669-P671 WeakPolarHBondContact O-CD 3.27Å; P671-I674 HydrophobicContact CB-CG1 4.41Å; P671-I674 HydrophobicContact CG-CD1 4.05Å; P671-I674 HydrophobicContact CG-CG1 3.71Å; P671-S699 CarbonylContact O-C 3.33Å; P671-S699 WeakPolarHBondContact O-CB 3.36Å; P671-S699 PolarHBondContact O-OG 2.79Å; P671-A700 HydrophobicContact CG-CB 4.23Å; P671-A700 WeakPolarHBondContact O-CA 3.24Å; P671-A700 WeakPolarHBondContact O-CB 3.5Å; P671-A700 PolarHBondContact O-N 3.12Å; P671-A700 VanDerWaalsContact O-N 3.15Å
672	D	97.3	Very high	97.2	Very high	31 Å²	31	24.7 Å²	24.7	17%	0.166	14%	0.137	C	C	.	.	S	Bend	trans	-79.2	-34.1	168.3	-73.3	-69.9	0	0	0	111	L542 Y543 A700 R701 V1030 R1034	L542-D672 HydrophobicContact CB-CB 4.17Å; L542-D672 HydrophobicContact CD2-CB 4.09Å; Y543-D672 PolarHBondContact N-OD2 3.41Å; Y543-D672 PolarHBondContact O-N 3.06Å; D672-A700 CarbonylContact O-C 3.53Å; D672-A700 WeakPolarHBondContact O-CA 3.45Å; D672-R701 PolarHBondContact O-N 3.28Å; D672-V1030 HydrophobicContact CB-CG2 4.05Å; D672-R1034 IonicContact OD1-CZ 3.63Å; D672-R1034 IonicContact OD1-NH2 2.74Å; D672-R1034 PolarHBondContact OD1-NH2 3.49Å; D672-R1034 IonicContact OD2-NH2 2.69Å
673	I	98.6	Very high	97.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.5	-179.5	-57	-66.5	0	0	0	110.1	L542 Y543 V544 V545 H675 R701 C703 Y1026 V1030	L542-I673 HydrophobicContact CD1-CG1 4.29Å; Y543-I673 PolarHBondContact O-N 3.19Å; Y543-I673 VanDerWaalsContact O-N 3.1Å; V544-I673 HydrophobicContact CB-CB 4.43Å; V544-I673 HydrophobicContact CG1-CB 4.14Å; V544-I673 HydrophobicContact CG1-CG2 4.06Å; V544-I673 HydrophobicContact CG2-CB 4.2Å; V544-I673 HydrophobicContact CG2-CG1 4.38Å; V545-I673 PolarHBondContact N-O 2.71Å; I673-H675 HydrophobicContact CG2-CB 4.37Å; I673-R701 WeakPolarHBondContact CA-O 3.24Å; I673-R701 HydrophobicContact CD1-CB 4.14Å; I673-C703 HydrophobicContact CG2-CB 4.34Å; I673-Y1026 HydrophobicContact CD1-CD1 3.9Å; I673-Y1026 HydrophobicContact CD1-CG 3.82Å; I673-Y1026 HydrophobicContact CG1-CD1 4.12Å; I673-Y1026 HydrophobicContact CG1-CD2 4.16Å; I673-Y1026 HydrophobicContact CG1-CG 3.74Å; I673-Y1026 HydrophobicContact CG2-CD1 4.03Å; I673-Y1026 HydrophobicContact CG2-CE1 4.04Å; I673-Y1026 HydrophobicContact CG2-CG 4.35Å; I673-V1030 HydrophobicContact CD1-CG2 3.84Å; I673-V1030 HydrophobicContact CG1-CG2 4.49Å
674	I	98.8	Very high	97.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.2	160	-62.7	167.8	0	0	0	107.1	V545 I547 L661 L664 P671 V684 Y688 A700 R701 I702 C703	V545-I674 CarbonylContact O-C 3.5Å; V545-I674 WeakPolarHBondContact O-CA 3.48Å; I547-I674 HydrophobicContact CD1-CG2 3.58Å; I547-I674 HydrophobicContact CG1-CG2 4.09Å; L661-I674 HydrophobicContact CD2-CD1 4.08Å; L664-I674 HydrophobicContact CD1-CD1 3.86Å; L664-I674 HydrophobicContact CD1-CG1 4.26Å; P671-I674 HydrophobicContact CB-CG1 4.41Å; P671-I674 HydrophobicContact CG-CD1 4.05Å; P671-I674 HydrophobicContact CG-CG1 3.71Å; I674-V684 HydrophobicContact CG2-CG1 3.85Å; I674-Y688 HydrophobicContact CD1-CD2 4.06Å; I674-Y688 HydrophobicContact CD1-CE2 3.99Å; I674-A700 HydrophobicContact CD1-CB 3.79Å; I674-A700 HydrophobicContact CG1-CB 3.8Å; I674-R701 PolarHBondContact N-O 3.02Å; I674-I702 HydrophobicContact CB-CD1 3.79Å; I674-I702 HydrophobicContact CD1-CD1 4.17Å; I674-I702 HydrophobicContact CG1-CD1 4.44Å; I674-I702 HydrophobicContact CG2-CD1 4.38Å; I674-I702 WeakPolarHBondContact O-CA 3.4Å; I674-C703 PolarHBondContact O-N 3.48Å
675	H	98.8	Very high	97.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	110.9	-177	-164.1	163.9	0	0	0	109.9	V545 H546 I547 I673 H677 C703 T705 Y1022 Y1026	V545-H675 PolarHBondContact O-N 3.28Å; H546-H675 CarbonylContact C-O 3.34Å; H546-H675 WeakPolarHBondContact CA-O 3.43Å; H546-H675 AromaticContact CE1-CG 3.83Å; H546-H675 AromaticContact CE1-ND1 3.31Å; H546-H675 PolarHBondContact CE1-ND1 2.78Å; H546-H675 VanDerWaalsContact CE1-ND1 3.31Å; H546-H675 AromaticContact ND1-CG 3.77Å; H546-H675 AromaticContact ND1-ND1 3.69Å; I547-H675 PolarHBondContact N-O 3.25Å; I673-H675 HydrophobicContact CG2-CB 4.37Å; H675-H677 AromaticContact CD2-CE1 3.54Å; H675-H677 AromaticContact CD2-NE2 3.67Å; H675-H677 AromaticContact CE1-CE1 3.61Å; H675-H677 AromaticContact CG-CE1 3.92Å; H675-H677 AromaticContact CG-NE2 3.78Å; H675-H677 AromaticContact NE2-CE1 3.33Å; H675-H677 PolarHBondContact NE2-CE1 3.25Å; H675-H677 VanDerWaalsContact NE2-CE1 3.33Å; H675-H677 AromaticContact NE2-ND1 3.86Å; H675-H677 AromaticContact NE2-NE2 3.93Å; H675-C703 CarbonylContact C-O 3.56Å; H675-C703 WeakPolarHBondContact CA-O 3.09Å; H675-C703 HydrophobicContact CB-CB 4.24Å; H675-T705 PolarHBondContact NE2-OG1 3.36Å; H675-Y1022 AromaticContact CE1-CE1 3.77Å; H675-Y1026 PolarHBondContact CE1-OH 2.69Å; H675-Y1026 VanDerWaalsContact CE1-OH 3.3Å; H675-Y1026 AromaticContact ND1-CZ 3.79Å; H675-Y1026 PolarHBondContact ND1-OH 2.72Å
676	C	98.6	Very high	97.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	146.5	175.8	53.8	0	0	0	0	111.7	I547 T681 V684 C703 F704 T705	I547-C676 WeakPolarHBondContact O-CA 3.43Å; C676-T681 WeakPolarHBondContact CB-O 3.37Å; C676-T681 WeakPolarHBondContact CB-OG1 3.28Å; C676-V684 HydrophobicContact CB-CB 4.16Å; C676-V684 HydrophobicContact CB-CG1 4.49Å; C676-V684 HydrophobicContact CB-CG2 4.47Å; C676-C703 PolarHBondContact N-O 2.85Å; C676-C703 PolarHBondContact SG-O 2.88Å; C676-F704 CarbonylContact O-C 3.53Å; C676-F704 WeakPolarHBondContact O-CA 3.1Å; C676-T705 PolarHBondContact O-N 3.49Å
677	H	98.7	Very high	97.5	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.9	-176.2	-58.2	-86.2	0	0	0	111.7	H546 I547 A548 L560 H675 T681 T705 H707	H546-H677 AromaticContact CE1-NE2 3.94Å; H546-H677 AromaticContact CG-NE2 3.91Å; H546-H677 AromaticContact ND1-CE1 3.72Å; H546-H677 AromaticContact ND1-NE2 2.97Å; H546-H677 PolarHBondContact ND1-NE2 2.95Å; I547-H677 PolarHBondContact O-N 2.87Å; A548-H677 HydrophobicContact CB-CB 4.47Å; L560-H677 HydrophobicContact CD1-CB 4.41Å; L560-H677 HydrophobicContact CD2-CB 4.31Å; H675-H677 AromaticContact CD2-CE1 3.54Å; H675-H677 AromaticContact CD2-NE2 3.67Å; H675-H677 AromaticContact CE1-CE1 3.61Å; H675-H677 AromaticContact CG-CE1 3.92Å; H675-H677 AromaticContact CG-NE2 3.78Å; H675-H677 AromaticContact NE2-CE1 3.33Å; H675-H677 PolarHBondContact NE2-CE1 3.25Å; H675-H677 VanDerWaalsContact NE2-CE1 3.33Å; H675-H677 AromaticContact NE2-ND1 3.86Å; H675-H677 AromaticContact NE2-NE2 3.93Å; H677-T681 PolarHBondContact N-OG1 2.74Å; H677-T681 PolarHBondContact O-OG1 3.17Å; H677-T705 WeakPolarHBondContact CA-O 3.35Å; H677-H707 AromaticContact CG-NE2 3.91Å; H677-H707 AromaticContact ND1-NE2 3.42Å; H677-H707 PolarHBondContact ND1-NE2 3.06Å
678	D	98.3	Very high	97.8	Very high	13 Å²	13	14.4 Å²	14.4	7%	0.07	8%	0.081	C	C	.	.	H	α-helix	trans	51.1	176.9	-178.5	-83.5	-5.8	0	0	0	116.7	L560 Q680 T681 A682 T705 C706 H707	L560-D678 HydrophobicContact CD1-CB 3.81Å; L560-D678 WeakPolarHBondContact CD1-OD2 3.44Å; D678-Q680 VanDerWaalsContact CB-OE1 3.31Å; D678-Q680 PolarHBondContact O-N 2.7Å; D678-Q680 VanDerWaalsContact O-N 3.1Å; D678-T681 PolarHBondContact O-N 3.1Å; D678-A682 PolarHBondContact O-N 2.96Å; D678-T705 PolarHBondContact N-O 3.31Å; D678-C706 VanDerWaalsContact OD1-CA 3.22Å; D678-C706 WeakPolarHBondContact OD1-CA 3.41Å; D678-C706 PolarHBondContact OD1-SG 2.76Å; D678-H707 IonicContact OD1-CD2 3.81Å; D678-H707 PolarHBondContact OD1-N 3.38Å; D678-H707 IonicContact OD2-CD2 3.25Å
679	W	98.5	Very high	98.1	Very high	25 Å²	25	15.1 Å²	15.1	10%	0.095	7%	0.065	C	C	.	.	H	α-helix	trans	-56.6	-30.5	-169.4	77.7	-92.9	0	0	0	113.3	D649 F650 F653 T681 A682 F683 Y711 G713 V748	D649-W679 HydrophobicContact CB-CH2 4.01Å; D649-W679 HydrophobicContact CB-CZ2 4.3Å; F650-W679 HydrophobicContact CD2-CZ3 4.42Å; F653-W679 HydrophobicContact CB-CH2 4.43Å; F653-W679 HydrophobicContact CB-CZ3 4.41Å; F653-W679 AromaticContact CD2-CH2 3.83Å; F653-W679 HydrophobicContact CD2-CH2 3.83Å; F653-W679 HydrophobicContact CD2-CZ2 4.16Å; W679-T681 PolarHBondContact O-N 2.72Å; W679-A682 WeakPolarHBondContact O-CB 3.32Å; W679-A682 PolarHBondContact O-N 3.46Å; W679-F683 HydrophobicContact CE3-CE2 4.23Å; W679-F683 HydrophobicContact CE3-CZ 4.48Å; W679-F683 HydrophobicContact CZ3-CE2 4.22Å; W679-F683 HydrophobicContact CZ3-CZ 4.4Å; W679-F683 WeakPolarHBondContact O-CE2 3.48Å; W679-Y711 WeakPolarHBondContact CB-O 3.31Å; W679-Y711 VanDerWaalsContact CD1-O 3.31Å; W679-G713 VanDerWaalsContact CD2-CA 3.46Å; W679-G713 VanDerWaalsContact CE3-CA 3.45Å; W679-V748 HydrophobicContact CB-CG2 3.52Å
680	Q	98.6	Very high	98.2	Very high	11 Å²	11	16.6 Å²	16.6	5%	0.051	8%	0.075	C	C	.	.	H	α-helix	trans	-56.8	-36.4	178.3	-65.2	89.4	-26.5	0	0	111.8	A549 Y644 F653 S657 D678 F683	A549-Q680 HydrophobicContact CB-CB 4.03Å; A549-Q680 HydrophobicContact CB-CG 4.08Å; Y644-Q680 HydrophobicContact CE1-CG 4Å; F653-Q680 HydrophobicContact CB-CB 3.82Å; F653-Q680 HydrophobicContact CB-CG 4.22Å; F653-Q680 WeakPolarHBondContact CB-O 3.46Å; F653-Q680 HydrophobicContact CD1-CB 3.76Å; F653-Q680 HydrophobicContact CD1-CG 3.91Å; F653-Q680 HydrophobicContact CD2-CB 4.19Å; F653-Q680 HydrophobicContact CD2-CG 3.65Å; F653-Q680 HydrophobicContact CE1-CB 4.39Å; F653-Q680 HydrophobicContact CE1-CG 4.18Å; F653-Q680 HydrophobicContact CE2-CG 3.96Å; F653-Q680 HydrophobicContact CG-CB 3.65Å; F653-Q680 HydrophobicContact CG-CG 3.65Å; F653-Q680 HydrophobicContact CZ-CG 4.21Å; S657-Q680 PolarHBondContact OG-O 3.42Å; S657-Q680 VanDerWaalsContact OG-O 3.04Å; D678-Q680 VanDerWaalsContact CB-OE1 3.31Å; D678-Q680 PolarHBondContact O-N 2.7Å; D678-Q680 VanDerWaalsContact O-N 3.1Å; Q680-F683 WeakPolarHBondContact O-CD2 3.43Å
681	T	98.8	Very high	98.4	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-114.6	0.8	-178.8	68.4	0	0	0	0	113.1	I547 F656 C676 H677 D678 W679 F683 V684	I547-T681 HydrophobicContact CG2-CG2 4.04Å; I547-T681 PolarHBondContact O-OG1 3.1Å; F656-T681 HydrophobicContact CD1-CG2 4.28Å; F656-T681 HydrophobicContact CE1-CG2 3.91Å; C676-T681 WeakPolarHBondContact CB-O 3.37Å; C676-T681 WeakPolarHBondContact CB-OG1 3.28Å; H677-T681 PolarHBondContact N-OG1 2.74Å; H677-T681 PolarHBondContact O-OG1 3.17Å; D678-T681 PolarHBondContact O-N 3.1Å; W679-T681 PolarHBondContact O-N 2.72Å; T681-F683 PolarHBondContact O-N 2.79Å; T681-V684 VanDerWaalsContact O-CB 3.22Å; T681-V684 WeakPolarHBondContact O-CB 3.35Å; T681-V684 VanDerWaalsContact O-CG2 3.22Å; T681-V684 WeakPolarHBondContact O-CG2 3.45Å; T681-V684 PolarHBondContact O-N 2.93Å
682	A	98.8	Very high	98.4	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-24.1	174.6	0	0	0	0	0	113.8	D678 W679 V684 A685 P686 F704 P747 A751	D678-A682 PolarHBondContact O-N 2.96Å; W679-A682 WeakPolarHBondContact O-CB 3.32Å; W679-A682 PolarHBondContact O-N 3.46Å; A682-V684 PolarHBondContact O-N 3.2Å; A682-A685 PolarHBondContact O-N 3.39Å; A682-P686 VanDerWaalsContact O-CD 3.3Å; A682-P686 WeakPolarHBondContact O-CD 3.06Å; A682-F704 HydrophobicContact CB-CE2 3.97Å; A682-F704 HydrophobicContact CB-CZ 4.25Å; A682-P747 HydrophobicContact CB-CB 4.01Å; A682-P747 WeakPolarHBondContact CB-O 3.37Å; A682-A751 HydrophobicContact CB-CB 3.68Å
683	F	98.7	Very high	98.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.8	172.6	-52.1	-84.9	0	0	0	113.7	F650 W679 Q680 T681 A685 P686 L687 L720 P747	F650-F683 HydrophobicContact CD1-CZ 4.39Å; F650-F683 HydrophobicContact CD2-CE1 4.43Å; F650-F683 AromaticContact CD2-CZ 3.87Å; F650-F683 HydrophobicContact CD2-CZ 3.87Å; F650-F683 AromaticContact CE1-CE1 3.93Å; F650-F683 HydrophobicContact CE1-CE1 3.93Å; F650-F683 HydrophobicContact CE1-CZ 4.12Å; F650-F683 AromaticContact CE2-CE1 3.75Å; F650-F683 HydrophobicContact CE2-CE1 3.75Å; F650-F683 AromaticContact CE2-CZ 3.61Å; F650-F683 HydrophobicContact CE2-CZ 3.61Å; F650-F683 HydrophobicContact CG-CZ 4.29Å; F650-F683 AromaticContact CZ-CE1 3.47Å; F650-F683 HydrophobicContact CZ-CE1 3.47Å; F650-F683 VanDerWaalsContact CZ-CE1 3.47Å; F650-F683 AromaticContact CZ-CZ 3.76Å; F650-F683 HydrophobicContact CZ-CZ 3.76Å; W679-F683 HydrophobicContact CE3-CE2 4.23Å; W679-F683 HydrophobicContact CE3-CZ 4.48Å; W679-F683 HydrophobicContact CZ3-CE2 4.22Å; W679-F683 HydrophobicContact CZ3-CZ 4.4Å; W679-F683 WeakPolarHBondContact O-CE2 3.48Å; Q680-F683 WeakPolarHBondContact O-CD2 3.43Å; T681-F683 PolarHBondContact O-N 2.79Å; F683-A685 PolarHBondContact O-N 2.76Å; F683-P686 VanDerWaalsContact O-CD 3.26Å; F683-P686 WeakPolarHBondContact O-CD 3.44Å; F683-P686 WeakPolarHBondContact O-CG 3.37Å; F683-L687 HydrophobicContact CB-CD1 4.07Å; F683-L687 VanDerWaalsContact O-CB 3.24Å; F683-L687 WeakPolarHBondContact O-CB 3.2Å; F683-L687 WeakPolarHBondContact O-CD1 3.43Å; F683-L687 WeakPolarHBondContact O-CG 3.42Å; F683-L687 PolarHBondContact O-N 3.28Å; F683-L720 HydrophobicContact CD1-CD1 4.06Å; F683-L720 HydrophobicContact CE1-CD1 4.11Å; F683-P747 HydrophobicContact CD1-CB 4.48Å; F683-P747 HydrophobicContact CD1-CG 4.49Å; F683-P747 HydrophobicContact CE1-CB 4.03Å; F683-P747 HydrophobicContact CE1-CG 3.62Å; F683-P747 HydrophobicContact CE2-CB 4.32Å; F683-P747 HydrophobicContact CE2-CG 4.31Å; F683-P747 HydrophobicContact CZ-CB 3.94Å; F683-P747 HydrophobicContact CZ-CG 3.51Å
684	V	98.8	Very high	98.3	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-56.3	-39.2	179.4	170.1	0	0	0	0	111.3	I547 L661 I674 C676 T681 A682 Y688	I547-V684 HydrophobicContact CD1-CG1 4.1Å; I547-V684 HydrophobicContact CD1-CG2 4.05Å; I547-V684 HydrophobicContact CG2-CG2 4.18Å; L661-V684 HydrophobicContact CD1-CG1 4.17Å; L661-V684 HydrophobicContact CD2-CG1 4.22Å; L661-V684 HydrophobicContact CG-CG1 4.34Å; I674-V684 HydrophobicContact CG2-CG1 3.85Å; C676-V684 HydrophobicContact CB-CB 4.16Å; C676-V684 HydrophobicContact CB-CG1 4.49Å; C676-V684 HydrophobicContact CB-CG2 4.47Å; T681-V684 VanDerWaalsContact O-CB 3.22Å; T681-V684 WeakPolarHBondContact O-CB 3.35Å; T681-V684 VanDerWaalsContact O-CG2 3.22Å; T681-V684 WeakPolarHBondContact O-CG2 3.45Å; T681-V684 PolarHBondContact O-N 2.93Å; A682-V684 PolarHBondContact O-N 3.2Å; V684-Y688 WeakPolarHBondContact O-CB 3.18Å; V684-Y688 PolarHBondContact O-N 2.99Å
685	A	98.7	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.1	-54.9	-177	0	0	0	0	0	114	A682 F683 I702 A751 F754 S755	A682-A685 PolarHBondContact O-N 3.39Å; F683-A685 PolarHBondContact O-N 2.76Å; A685-I702 HydrophobicContact CB-CG2 3.97Å; A685-A751 HydrophobicContact CB-CB 4.32Å; A685-F754 HydrophobicContact CB-CB 3.81Å; A685-S755 WeakPolarHBondContact CB-OG 3.43Å
686	P	98.5	Very high	98	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.3	-41.7	173	23.2	-31.9	0	0	0	112.3	A682 F683 Y688 W689 D690 L725 M736 F754	A682-P686 VanDerWaalsContact O-CD 3.3Å; A682-P686 WeakPolarHBondContact O-CD 3.06Å; F683-P686 VanDerWaalsContact O-CD 3.26Å; F683-P686 WeakPolarHBondContact O-CD 3.44Å; F683-P686 WeakPolarHBondContact O-CG 3.37Å; P686-Y688 VanDerWaalsContact C-N 3.31Å; P686-Y688 PolarHBondContact O-N 3.11Å; P686-W689 PolarHBondContact O-N 3.03Å; P686-D690 WeakPolarHBondContact O-CB 3.32Å; P686-D690 PolarHBondContact O-N 3.1Å; P686-L725 HydrophobicContact CB-CD1 4.2Å; P686-L725 HydrophobicContact CB-CD2 4.22Å; P686-L725 HydrophobicContact CG-CD1 4.04Å; P686-M736 HydrophobicContact CB-SD 4.17Å; P686-M736 HydrophobicContact CG-CE 4.34Å; P686-M736 HydrophobicContact CG-SD 3.96Å; P686-F754 HydrophobicContact CB-CD2 3.78Å; P686-F754 HydrophobicContact CB-CE2 3.98Å; P686-F754 HydrophobicContact CB-CG 4.13Å; P686-F754 HydrophobicContact CB-CZ 4.48Å; P686-F754 HydrophobicContact CG-CD2 4.48Å
687	L	98.7	Very high	97.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-55.3	-47.2	178.1	-78.4	169.9	0	0	0	111.5	R658 L661 F683 W689 L691 Y692 L725	R658-L687 HydrophobicContact CB-CD1 4.19Å; L661-L687 HydrophobicContact CD1-CB 3.56Å; L661-L687 HydrophobicContact CD1-CD1 4.36Å; F683-L687 HydrophobicContact CB-CD1 4.07Å; F683-L687 VanDerWaalsContact O-CB 3.24Å; F683-L687 WeakPolarHBondContact O-CB 3.2Å; F683-L687 WeakPolarHBondContact O-CD1 3.43Å; F683-L687 WeakPolarHBondContact O-CG 3.42Å; F683-L687 PolarHBondContact O-N 3.28Å; L687-W689 PolarHBondContact O-N 2.88Å; L687-L691 HydrophobicContact CD2-CD1 3.68Å; L687-L691 WeakPolarHBondContact O-CB 3.48Å; L687-L691 PolarHBondContact O-N 2.98Å; L687-Y692 HydrophobicContact CB-CE2 4.4Å; L687-Y692 WeakPolarHBondContact O-CD2 3.37Å; L687-L725 HydrophobicContact CD2-CD1 4.27Å; L687-L725 HydrophobicContact CD2-CD2 3.78Å; L687-L725 HydrophobicContact CD2-CG 3.71Å; L687-L725 HydrophobicContact CG-CD1 4.19Å; L687-L725 HydrophobicContact CG-CD2 4.13Å; L687-L725 HydrophobicContact CG-CG 4.14Å
688	Y	98.6	Very high	97.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	I	π-helix	trans	-57.1	-52	-177.2	177.7	-97.1	0	0	0	112.5	L661 I674 V684 P686 Y692 A693 L697 D698 A700 I702	L661-Y688 HydrophobicContact CD2-CD2 4.17Å; I674-Y688 HydrophobicContact CD1-CD2 4.06Å; I674-Y688 HydrophobicContact CD1-CE2 3.99Å; V684-Y688 WeakPolarHBondContact O-CB 3.18Å; V684-Y688 PolarHBondContact O-N 2.99Å; P686-Y688 VanDerWaalsContact C-N 3.31Å; P686-Y688 PolarHBondContact O-N 3.11Å; Y688-Y692 PolarHBondContact O-N 2.83Å; Y688-Y692 VanDerWaalsContact O-N 3.09Å; Y688-A693 HydrophobicContact CE1-CB 4.36Å; Y688-A693 PolarHBondContact O-N 3.46Å; Y688-L697 HydrophobicContact CE2-CG 4.16Å; Y688-L697 WeakPolarHBondContact CE2-O 3.46Å; Y688-L697 VanDerWaalsContact CZ-O 3.29Å; Y688-L697 PolarHBondContact OH-O 3.23Å; Y688-D698 WeakPolarHBondContact OH-CA 3.42Å; Y688-D698 PolarHBondContact OH-O 3.42Å; Y688-A700 HydrophobicContact CE2-CB 4.04Å; Y688-A700 WeakPolarHBondContact OH-CA 3.48Å; Y688-A700 WeakPolarHBondContact OH-CB 3.43Å; Y688-A700 PolarHBondContact OH-N 3.22Å; Y688-A700 PolarHBondContact OH-O 3.01Å; Y688-I702 HydrophobicContact CD1-CD1 3.67Å; Y688-I702 HydrophobicContact CD1-CG1 3.67Å; Y688-I702 HydrophobicContact CD2-CD1 3.88Å; Y688-I702 HydrophobicContact CE1-CD1 4.01Å; Y688-I702 HydrophobicContact CE1-CG1 4.15Å; Y688-I702 HydrophobicContact CE2-CD1 4.19Å; Y688-I702 HydrophobicContact CG-CD1 3.6Å; Y688-I702 HydrophobicContact CG-CG1 4Å
689	W	98.3	Very high	97.4	Very high	77 Å²	77	28.5 Å²	28.5	29%	0.292	16%	0.159	S	C	.	.	I	π-helix	trans	-72.8	-36.7	-177.5	-64.6	113.7	0	0	0	113.6	P686 L687 A693 I702 F754 N756	P686-W689 PolarHBondContact O-N 3.03Å; L687-W689 PolarHBondContact O-N 2.88Å; W689-A693 HydrophobicContact CE3-CB 4.26Å; W689-I702 HydrophobicContact CZ2-CG1 4.46Å; W689-F754 HydrophobicContact CB-CD1 4.48Å; W689-F754 PolarHBondContact NE1-O 2.99Å; W689-N756 WeakPolarHBondContact CZ2-OD1 3.29Å
690	D	97.4	Very high	97.4	Very high	76 Å²	76	27.3 Å²	27.3	41%	0.406	15%	0.154	S	C	.	.	I	π-helix	trans	-77.8	-39.9	-176.5	-163.6	41.2	0	0	0	111.6	P686 L725	P686-D690 WeakPolarHBondContact O-CB 3.32Å; P686-D690 PolarHBondContact O-N 3.1Å; D690-L725 HydrophobicContact CB-CD2 4.22Å
691	L	97.6	Very high	97.4	Very high	34 Å²	34	28.9 Å²	28.9	18%	0.178	16%	0.159	C	C	.	.	I	π-helix	trans	-123.4	-12.8	-166.1	-53.6	-176.3	0	0	0	116.6	L687 K695 G724	L687-L691 HydrophobicContact CD2-CD1 3.68Å; L687-L691 WeakPolarHBondContact O-CB 3.48Å; L687-L691 PolarHBondContact O-N 2.98Å; L691-K695 WeakPolarHBondContact O-CD 3.31Å; L691-K695 WeakPolarHBondContact O-CE 3.38Å; L691-K695 WeakPolarHBondContact O-CG 3.42Å; L691-K695 PolarHBondContact O-NZ 3.4Å; L691-G724 WeakPolarHBondContact CD1-O 3.45Å
692	Y	98	Very high	97.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.159	C	C	.	.	I	π-helix	trans	-121.7	-41.7	-171.7	-72.2	-89.8	0	0	0	115.1	R658 L661 E662 L665 L687 Y688 P694 K695 G696 L697	R658-Y692 WeakPolarHBondContact CD-OH 3.5Å; R658-Y692 PolarHBondContact NE-OH 2.8Å; R658-Y692 PolarHBondContact O-OH 2.69Å; L661-Y692 HydrophobicContact CB-CD1 4Å; L661-Y692 HydrophobicContact CB-CD2 3.93Å; L661-Y692 HydrophobicContact CB-CE1 3.59Å; L661-Y692 HydrophobicContact CB-CE2 3.52Å; L661-Y692 HydrophobicContact CB-CG 4.13Å; L661-Y692 HydrophobicContact CD1-CD2 3.82Å; L661-Y692 HydrophobicContact CD1-CE2 3.77Å; L661-Y692 HydrophobicContact CG-CD2 4.41Å; L661-Y692 HydrophobicContact CG-CE2 4.28Å; L661-Y692 WeakPolarHBondContact O-CE1 3.3Å; E662-Y692 HydrophobicContact CG-CE1 4.36Å; E662-Y692 WeakPolarHBondContact CG-OH 3.46Å; E662-Y692 PolarHBondContact N-OH 2.84Å; E662-Y692 PolarHBondContact OE1-OH 2.9Å; L665-Y692 HydrophobicContact CB-CD1 4.13Å; L665-Y692 HydrophobicContact CB-CE1 4.25Å; L665-Y692 HydrophobicContact CD2-CD1 3.91Å; L665-Y692 HydrophobicContact CD2-CE1 4.03Å; L687-Y692 HydrophobicContact CB-CE2 4.4Å; L687-Y692 WeakPolarHBondContact O-CD2 3.37Å; Y688-Y692 PolarHBondContact O-N 2.83Å; Y688-Y692 VanDerWaalsContact O-N 3.09Å; Y692-P694 VanDerWaalsContact C-N 3.32Å; Y692-K695 CarbonylContact O-C 3.59Å; Y692-K695 WeakPolarHBondContact O-CA 3.4Å; Y692-K695 WeakPolarHBondContact O-CB 3.43Å; Y692-K695 PolarHBondContact O-N 2.87Å; Y692-G696 PolarHBondContact O-N 3.32Å; Y692-L697 CarbonylContact C-O 3.53Å; Y692-L697 HydrophobicContact CD1-CD2 4.11Å; Y692-L697 HydrophobicContact CG-CD2 4.48Å; Y692-L697 PolarHBondContact O-N 2.69Å; Y692-L697 VanDerWaalsContact O-N 3.08Å
693	A	97.1	Very high	97.4	Very high	21 Å²	21	28.9 Å²	28.9	17%	0.174	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-57	-42.4	170.6	0	0	0	0	0	111.6	Y688 W689 K695 G696 L697 D698	Y688-A693 HydrophobicContact CE1-CB 4.36Å; Y688-A693 PolarHBondContact O-N 3.46Å; W689-A693 HydrophobicContact CE3-CB 4.26Å; A693-K695 PolarHBondContact O-N 3.08Å; A693-K695 VanDerWaalsContact O-N 3.12Å; A693-G696 PolarHBondContact O-N 2.83Å; A693-G696 VanDerWaalsContact O-N 3.13Å; A693-L697 VanDerWaalsContact CA-O 3.3Å; A693-L697 WeakPolarHBondContact CA-O 3.49Å; A693-L697 PolarHBondContact N-O 3.45Å; A693-D698 HydrophobicContact CB-CB 4.36Å
694	P	97	Very high	97.4	Very high	100 Å²	100	28.9 Å²	28.9	65%	0.649	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-64.8	-11.3	171.8	-22.7	35.4	0	0	0	115.5	Y692	Y692-P694 VanDerWaalsContact C-N 3.32Å
695	K	96.2	Very high	97.4	Very high	104 Å²	104	28.9 Å²	28.9	45%	0.452	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-101.9	7.2	176	-62.7	-179.2	-170.6	144.7	0	113.3	L665 L691 Y692 A693	L665-K695 HydrophobicContact CD1-CB 4.32Å; L665-K695 HydrophobicContact CD2-CB 4.2Å; L665-K695 HydrophobicContact CD2-CD 3.85Å; L691-K695 WeakPolarHBondContact O-CD 3.31Å; L691-K695 WeakPolarHBondContact O-CE 3.38Å; L691-K695 WeakPolarHBondContact O-CG 3.42Å; L691-K695 PolarHBondContact O-NZ 3.4Å; Y692-K695 CarbonylContact O-C 3.59Å; Y692-K695 WeakPolarHBondContact O-CA 3.4Å; Y692-K695 WeakPolarHBondContact O-CB 3.43Å; Y692-K695 PolarHBondContact O-N 2.87Å; A693-K695 PolarHBondContact O-N 3.08Å; A693-K695 VanDerWaalsContact O-N 3.12Å
696	G	94.2	Very high	97.3	Very high	33 Å²	33	28.9 Å²	28.9	34%	0.34	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	88	12.6	179.6	0	0	0	0	0	115.3	K670 Y692 A693	K670-G696 PolarHBondContact NZ-O 3.15Å; Y692-G696 PolarHBondContact O-N 3.32Å; A693-G696 PolarHBondContact O-N 2.83Å; A693-G696 VanDerWaalsContact O-N 3.13Å
697	L	95.3	Very high	97.2	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.016	16%	0.163	C	C	.	.			trans	-98.2	72.4	161.9	-177.8	64.3	0	0	0	108	L661 L664 L665 K669 Y688 Y692 A693	L661-L697 HydrophobicContact CD2-CD2 4.29Å; L664-L697 HydrophobicContact CB-CD1 4.47Å; L664-L697 HydrophobicContact CB-CD2 3.92Å; L665-L697 HydrophobicContact CB-CD2 4.28Å; L665-L697 HydrophobicContact CD1-CB 4.02Å; K669-L697 WeakPolarHBondContact O-CD1 3.41Å; Y688-L697 HydrophobicContact CE2-CG 4.16Å; Y688-L697 WeakPolarHBondContact CE2-O 3.46Å; Y688-L697 VanDerWaalsContact CZ-O 3.29Å; Y688-L697 PolarHBondContact OH-O 3.23Å; Y692-L697 CarbonylContact C-O 3.53Å; Y692-L697 HydrophobicContact CD1-CD2 4.11Å; Y692-L697 HydrophobicContact CG-CD2 4.48Å; Y692-L697 PolarHBondContact O-N 2.69Å; Y692-L697 VanDerWaalsContact O-N 3.08Å; A693-L697 VanDerWaalsContact CA-O 3.3Å; A693-L697 WeakPolarHBondContact CA-O 3.49Å; A693-L697 PolarHBondContact N-O 3.45Å
698	D	95.3	Very high	96.9	Very high	78 Å²	78	30.4 Å²	30.4	42%	0.417	17%	0.167	S	C	.	.			trans	-118.8	-12.6	-163	57.4	-13.3	0	0	0	114.4	K670 Y688 A693 R701	K670-D698 IonicContact NZ-OD1 2.88Å; K670-D698 PolarHBondContact NZ-OD1 2.95Å; Y688-D698 WeakPolarHBondContact OH-CA 3.42Å; Y688-D698 PolarHBondContact OH-O 3.42Å; A693-D698 HydrophobicContact CB-CB 4.36Å; D698-R701 PolarHBondContact O-NH2 2.64Å
699	S	93.4	Very high	96.7	Very high	37 Å²	37	30.4 Å²	30.4	26%	0.259	17%	0.167	S	C	.	.	S	Bend	trans	-62.1	-47.5	-177.9	55.4	0	0	0	0	112.4	K670 P671 R701	K670-S699 WeakPolarHBondContact CA-OG 3.49Å; P671-S699 CarbonylContact O-C 3.33Å; P671-S699 WeakPolarHBondContact O-CB 3.36Å; P671-S699 PolarHBondContact O-OG 2.79Å; S699-R701 PolarHBondContact O-NE 2.85Å; S699-R701 PolarHBondContact O-NH2 2.91Å
700	A	97.2	Very high	96.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-65.8	149.9	-165.5	0	0	0	0	0	113.9	P671 D672 I674 Y688	P671-A700 HydrophobicContact CG-CB 4.23Å; P671-A700 WeakPolarHBondContact O-CA 3.24Å; P671-A700 WeakPolarHBondContact O-CB 3.5Å; P671-A700 PolarHBondContact O-N 3.12Å; P671-A700 VanDerWaalsContact O-N 3.15Å; D672-A700 CarbonylContact O-C 3.53Å; D672-A700 WeakPolarHBondContact O-CA 3.45Å; I674-A700 HydrophobicContact CD1-CB 3.79Å; I674-A700 HydrophobicContact CG1-CB 3.8Å; Y688-A700 HydrophobicContact CE2-CB 4.04Å; Y688-A700 WeakPolarHBondContact OH-CA 3.48Å; Y688-A700 WeakPolarHBondContact OH-CB 3.43Å; Y688-A700 PolarHBondContact OH-N 3.22Å; Y688-A700 PolarHBondContact OH-O 3.01Å
701	R	98.2	Very high	96.2	Very high	43 Å²	43	32.7 Å²	32.7	16%	0.162	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139	158	-53.6	-56.9	105.8	-179	-2.7	108.8	D672 I673 I674 D698 S699 N756 S1029 V1030 A1033	D672-R701 PolarHBondContact O-N 3.28Å; I673-R701 WeakPolarHBondContact CA-O 3.24Å; I673-R701 HydrophobicContact CD1-CB 4.14Å; I674-R701 PolarHBondContact N-O 3.02Å; D698-R701 PolarHBondContact O-NH2 2.64Å; S699-R701 PolarHBondContact O-NE 2.85Å; S699-R701 PolarHBondContact O-NH2 2.91Å; R701-N756 WeakPolarHBondContact CA-OD1 3.17Å; R701-N756 HydrophobicContact CB-CB 4.32Å; R701-N756 WeakPolarHBondContact CB-OD1 3.28Å; R701-S1029 WeakPolarHBondContact CB-OG 3.45Å; R701-S1029 WeakPolarHBondContact CG-OG 3.44Å; R701-V1030 HydrophobicContact CG-CG2 4.12Å; R701-A1033 VanDerWaalsContact CZ-CB 3.46Å
702	I	98.8	Very high	96.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	122.1	-179.1	-49.6	-54.2	0	0	0	109.9	I674 A685 Y688 W689 S755 N756 I757	I674-I702 HydrophobicContact CB-CD1 3.79Å; I674-I702 HydrophobicContact CD1-CD1 4.17Å; I674-I702 HydrophobicContact CG1-CD1 4.44Å; I674-I702 HydrophobicContact CG2-CD1 4.38Å; I674-I702 WeakPolarHBondContact O-CA 3.4Å; A685-I702 HydrophobicContact CB-CG2 3.97Å; Y688-I702 HydrophobicContact CD1-CD1 3.67Å; Y688-I702 HydrophobicContact CD1-CG1 3.67Å; Y688-I702 HydrophobicContact CD2-CD1 3.88Å; Y688-I702 HydrophobicContact CE1-CD1 4.01Å; Y688-I702 HydrophobicContact CE1-CG1 4.15Å; Y688-I702 HydrophobicContact CE2-CD1 4.19Å; Y688-I702 HydrophobicContact CG-CD1 3.6Å; Y688-I702 HydrophobicContact CG-CG1 4Å; W689-I702 HydrophobicContact CZ2-CG1 4.46Å; I702-S755 WeakPolarHBondContact CG2-OG 3.31Å; I702-N756 PolarHBondContact N-OD1 3.45Å; I702-N756 PolarHBondContact O-N 2.83Å; I702-I757 PolarHBondContact O-N 2.68Å; I702-I757 VanDerWaalsContact O-N 3.1Å
703	C	98.8	Very high	96.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	139.9	165.5	-173.7	0	0	0	0	109.3	I673 I674 H675 C676 I757 Y1026	I673-C703 HydrophobicContact CG2-CB 4.34Å; I674-C703 PolarHBondContact O-N 3.48Å; H675-C703 CarbonylContact C-O 3.56Å; H675-C703 WeakPolarHBondContact CA-O 3.09Å; H675-C703 HydrophobicContact CB-CB 4.24Å; C676-C703 PolarHBondContact N-O 2.85Å; C676-C703 PolarHBondContact SG-O 2.88Å; C703-I757 HydrophobicContact CB-CB 4.22Å; C703-I757 HydrophobicContact CB-CD1 4.36Å; C703-Y1026 HydrophobicContact CB-CE1 4.03Å
704	F	98.9	Very high	96	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.8	171.3	173.2	-120.4	0	0	0	110.1	C676 A682 C706 V748 A751 S755 I757 V758 T759	C676-F704 CarbonylContact O-C 3.53Å; C676-F704 WeakPolarHBondContact O-CA 3.1Å; A682-F704 HydrophobicContact CB-CE2 3.97Å; A682-F704 HydrophobicContact CB-CZ 4.25Å; F704-C706 HydrophobicContact CE1-CB 3.83Å; F704-C706 HydrophobicContact CZ-CB 3.86Å; F704-V748 HydrophobicContact CE1-CG1 4.02Å; F704-V748 HydrophobicContact CZ-CG1 4.14Å; F704-V748 HydrophobicContact CZ-CG2 4.22Å; F704-A751 HydrophobicContact CB-CB 4.16Å; F704-A751 HydrophobicContact CD1-CB 3.48Å; F704-A751 VanDerWaalsContact CD1-CB 3.48Å; F704-A751 HydrophobicContact CD2-CB 3.77Å; F704-A751 HydrophobicContact CE1-CB 3.71Å; F704-A751 HydrophobicContact CE2-CB 3.97Å; F704-A751 HydrophobicContact CG-CB 3.53Å; F704-A751 HydrophobicContact CZ-CB 3.95Å; F704-S755 WeakPolarHBondContact CB-OG 3.43Å; F704-I757 PolarHBondContact N-O 3.49Å; F704-V758 HydrophobicContact CD1-CG1 4.25Å; F704-V758 CarbonylContact O-C 3.4Å; F704-V758 WeakPolarHBondContact O-CA 3.26Å; F704-T759 PolarHBondContact O-N 3.32Å; F704-T759 PolarHBondContact O-OG1 2.93Å; F704-T759 VanDerWaalsContact O-OG1 3.09Å
705	T	98.7	Very high	96	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.7	165.7	-57.6	0	0	0	0	109.5	H675 C676 H677 D678 T759 V761	H675-T705 PolarHBondContact NE2-OG1 3.36Å; C676-T705 PolarHBondContact O-N 3.49Å; H677-T705 WeakPolarHBondContact CA-O 3.35Å; D678-T705 PolarHBondContact N-O 3.31Å; T705-T759 WeakPolarHBondContact CA-O 3.36Å; T705-T759 WeakPolarHBondContact CA-OG1 3.34Å; T705-T759 WeakPolarHBondContact CB-OG1 3.31Å; T705-T759 PolarHBondContact OG1-OG1 3.13Å; T705-V761 HydrophobicContact CG2-CG1 3.96Å
706	C	98.1	Very high	96	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	117.4	161.6	-167.8	0	0	0	0	109.4	D678 F704 N708 F709 T759 T760	D678-C706 VanDerWaalsContact OD1-CA 3.22Å; D678-C706 WeakPolarHBondContact OD1-CA 3.41Å; D678-C706 PolarHBondContact OD1-SG 2.76Å; F704-C706 HydrophobicContact CE1-CB 3.83Å; F704-C706 HydrophobicContact CZ-CB 3.86Å; C706-N708 VanDerWaalsContact SG-C 3.57Å; C706-F709 HydrophobicContact CB-CD1 4.16Å; C706-F709 HydrophobicContact CB-CD2 4.28Å; C706-F709 HydrophobicContact CB-CE1 3.73Å; C706-F709 HydrophobicContact CB-CE2 3.89Å; C706-F709 HydrophobicContact CB-CG 4.43Å; C706-F709 HydrophobicContact CB-CZ 3.61Å; C706-T759 PolarHBondContact N-O 2.85Å; C706-T760 WeakPolarHBondContact O-CA 3.2Å; C706-T760 VanDerWaalsContact O-CB 3.3Å; C706-T760 WeakPolarHBondContact O-CB 3.45Å; C706-T760 PolarHBondContact O-OG1 3.21Å
707	H	95.4	Very high	96	Very high	18 Å²	18	24.4 Å²	24.4	8%	0.083	13%	0.127	C	C	.	.	S	Bend	trans	-83.1	-28.9	179.1	-59.5	-98.7	0	0	0	111.7	H677 D678 V761 P930	H677-H707 AromaticContact CG-NE2 3.91Å; H677-H707 AromaticContact ND1-NE2 3.42Å; H677-H707 PolarHBondContact ND1-NE2 3.06Å; D678-H707 IonicContact OD1-CD2 3.81Å; D678-H707 PolarHBondContact OD1-N 3.38Å; D678-H707 IonicContact OD2-CD2 3.25Å; H707-V761 HydrophobicContact CB-CG1 4.4Å; H707-V761 WeakPolarHBondContact ND1-CG1 3.37Å; H707-P930 WeakPolarHBondContact O-CB 3.47Å; H707-P930 WeakPolarHBondContact O-CG 3.23Å
708	N	93	Very high	96	Very high	14 Å²	14	28.2 Å²	28.2	8%	0.075	16%	0.155	C	C	.	.			trans	-152.8	113.6	170	-177.6	5.6	0	0	0	112.2	C706 E710 Y711 Y765 P930	C706-N708 VanDerWaalsContact SG-C 3.57Å; N708-E710 PolarHBondContact ND2-OE2 2.86Å; N708-E710 PolarHBondContact O-N 3Å; N708-E710 WeakPolarHBondContact OD1-CB 3.29Å; N708-E710 PolarHBondContact OD1-N 2.85Å; N708-Y711 HydrophobicContact CB-CD2 4.14Å; N708-Y711 HydrophobicContact CB-CE2 4.47Å; N708-Y711 VanDerWaalsContact ND2-CE2 3.31Å; N708-Y711 WeakPolarHBondContact ND2-CE2 3.33Å; N708-Y711 PolarHBondContact O-N 2.87Å; N708-Y711 VanDerWaalsContact O-N 3.11Å; N708-Y765 PolarHBondContact OD1-OH 3.03Å; N708-P930 HydrophobicContact CB-CG 4.14Å
709	F	94.5	Very high	96	Very high	1 Å²	1	27 Å²	27	0%	0.004	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	2.3	179	-70.4	-87.3	0	0	0	114.9	C706 Q712 V748 I752 T760 Y765 V769 L778 L782 F789	C706-F709 HydrophobicContact CB-CD1 4.16Å; C706-F709 HydrophobicContact CB-CD2 4.28Å; C706-F709 HydrophobicContact CB-CE1 3.73Å; C706-F709 HydrophobicContact CB-CE2 3.89Å; C706-F709 HydrophobicContact CB-CG 4.43Å; C706-F709 HydrophobicContact CB-CZ 3.61Å; F709-Q712 WeakPolarHBondContact O-CG 3.37Å; F709-Q712 PolarHBondContact O-NE2 2.82Å; F709-V748 HydrophobicContact CD1-CG1 4.04Å; F709-V748 HydrophobicContact CE1-CG1 4.11Å; F709-I752 HydrophobicContact CE1-CD1 4.11Å; F709-T760 HydrophobicContact CE2-CG2 4.26Å; F709-Y765 AromaticContact CD2-CE1 3.75Å; F709-Y765 HydrophobicContact CD2-CE1 3.75Å; F709-Y765 HydrophobicContact CE2-CE1 4.23Å; F709-Y765 PolarHBondContact N-OH 2.68Å; F709-V769 HydrophobicContact CB-CG1 4.39Å; F709-V769 HydrophobicContact CD2-CB 4.13Å; F709-V769 HydrophobicContact CD2-CG1 3.75Å; F709-V769 HydrophobicContact CD2-CG2 4.03Å; F709-V769 HydrophobicContact CE2-CB 4.42Å; F709-V769 HydrophobicContact CE2-CG1 4.37Å; F709-V769 HydrophobicContact CE2-CG2 3.83Å; F709-V769 HydrophobicContact CG-CG1 4.32Å; F709-V769 HydrophobicContact CZ-CG2 4.44Å; F709-L778 HydrophobicContact CD1-CD1 3.98Å; F709-L782 HydrophobicContact CD1-CD1 4.36Å; F709-L782 HydrophobicContact CE1-CD1 3.96Å; F709-L782 HydrophobicContact CE1-CD2 4.01Å; F709-L782 HydrophobicContact CZ-CD1 4.14Å; F709-L782 HydrophobicContact CZ-CD2 4.04Å; F709-F789 HydrophobicContact CE2-CE2 4.48Å; F709-F789 HydrophobicContact CE2-CZ 4.27Å; F709-F789 HydrophobicContact CZ-CE2 4.12Å; F709-F789 HydrophobicContact CZ-CZ 4.14Å
710	E	91.6	Very high	96.2	Very high	85 Å²	85	25.3 Å²	25.3	40%	0.397	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-40.3	163.1	-175.7	174.7	-131.9	0	0	111.7	N708 Q712	N708-E710 PolarHBondContact ND2-OE2 2.86Å; N708-E710 PolarHBondContact O-N 3Å; N708-E710 WeakPolarHBondContact OD1-CB 3.29Å; N708-E710 PolarHBondContact OD1-N 2.85Å; E710-Q712 PolarHBondContact O-N 2.8Å
711	Y	93.3	Very high	96.2	Very high	115 Å²	115	26.3 Å²	26.3	45%	0.451	15%	0.145	S	C	.	.			trans	-95.2	84.6	-175.7	-56.7	-68.2	0	0	0	110.8	W679 N708	W679-Y711 WeakPolarHBondContact CB-O 3.31Å; W679-Y711 VanDerWaalsContact CD1-O 3.31Å; N708-Y711 HydrophobicContact CB-CD2 4.14Å; N708-Y711 HydrophobicContact CB-CE2 4.47Å; N708-Y711 VanDerWaalsContact ND2-CE2 3.31Å; N708-Y711 WeakPolarHBondContact ND2-CE2 3.33Å; N708-Y711 PolarHBondContact O-N 2.87Å; N708-Y711 VanDerWaalsContact O-N 3.11Å
712	Q	96.9	Very high	96.1	Very high	22 Å²	22	24.7 Å²	24.7	10%	0.103	14%	0.14	C	C	.	.			trans	-90.8	-10.4	-173.5	-58	-175.4	15.8	0	0	114.7	F709 E710 T714 N746 P747 V748 K776 L778	F709-Q712 WeakPolarHBondContact O-CG 3.37Å; F709-Q712 PolarHBondContact O-NE2 2.82Å; E710-Q712 PolarHBondContact O-N 2.8Å; Q712-T714 VanDerWaalsContact C-N 3.33Å; Q712-N746 PolarHBondContact OE1-ND2 3.06Å; Q712-P747 WeakPolarHBondContact O-CD 3.41Å; Q712-V748 HydrophobicContact CB-CB 4.47Å; Q712-V748 HydrophobicContact CB-CG2 4.49Å; Q712-V748 PolarHBondContact O-N 2.67Å; Q712-K776 VanDerWaalsContact NE2-CB 3.32Å; Q712-K776 PolarHBondContact NE2-O 3.36Å; Q712-L778 VanDerWaalsContact CD-CD1 3.41Å; Q712-L778 HydrophobicContact CG-CD1 3.88Å
713	G	95.9	Very high	96.1	Very high	16 Å²	16	24.7 Å²	24.7	17%	0.165	14%	0.14	C	C	.	.			trans	72.4	19.2	-179.2	0	0	0	0	0	114.8	F650 W679 A715 P747	F650-G713 VanDerWaalsContact CD2-O 3.25Å; F650-G713 WeakPolarHBondContact CD2-O 3.25Å; F650-G713 WeakPolarHBondContact CE2-O 3.43Å; W679-G713 VanDerWaalsContact CD2-CA 3.46Å; W679-G713 VanDerWaalsContact CE3-CA 3.45Å; G713-A715 PolarHBondContact O-N 2.82Å; G713-P747 WeakPolarHBondContact O-CD 3.44Å; G713-P747 WeakPolarHBondContact O-CG 3.23Å
714	T	96	Very high	96	Very high	35 Å²	35	25.7 Å²	25.7	22%	0.215	15%	0.15	C	C	.	.			trans	-65.7	121.7	-169.4	-49.7	0	0	0	0	113	Q712 D738 R744 V745 N746	Q712-T714 VanDerWaalsContact C-N 3.33Å; T714-D738 HydrophobicContact CG2-CB 3.71Å; T714-D738 WeakPolarHBondContact CG2-OD2 3.41Å; T714-D738 PolarHBondContact OG1-OD2 3.48Å; T714-D738 VanDerWaalsContact OG1-OD2 3.09Å; T714-R744 HydrophobicContact CG2-CB 4.06Å; T714-R744 PolarHBondContact O-NH2 2.94Å; T714-V745 VanDerWaalsContact CA-O 3.25Å; T714-V745 WeakPolarHBondContact CA-O 3.45Å; T714-V745 WeakPolarHBondContact CG2-O 3Å; T714-N746 PolarHBondContact OG1-ND2 3.48Å
715	A	96	Very high	96	Very high	9 Å²	9	26 Å²	26	7%	0.074	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	-173.4	-178.7	0	0	0	0	0	112.4	F650 G713 R744 V745	F650-A715 HydrophobicContact CB-CB 4.29Å; F650-A715 HydrophobicContact CD1-CB 4.26Å; F650-A715 HydrophobicContact CD2-CB 3.27Å; F650-A715 HydrophobicContact CE1-CB 4.42Å; F650-A715 HydrophobicContact CE2-CB 3.42Å; F650-A715 VanDerWaalsContact CE2-CB 3.42Å; F650-A715 HydrophobicContact CG-CB 3.7Å; F650-A715 HydrophobicContact CZ-CB 4.01Å; G713-A715 PolarHBondContact O-N 2.82Å; A715-R744 VanDerWaalsContact O-CA 3.26Å; A715-R744 WeakPolarHBondContact O-CA 3.28Å; A715-R744 WeakPolarHBondContact O-CB 3.43Å; A715-V745 PolarHBondContact N-O 3.19Å; A715-V745 VanDerWaalsContact N-O 3.07Å; A715-V745 PolarHBondContact O-N 3.38Å
716	S	96	Very high	95.8	Very high	34 Å²	34	29.1 Å²	29.1	24%	0.238	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	144.9	174	65.2	0	0	0	0	111	S718 E719	S716-S718 PolarHBondContact O-N 2.88Å; S716-S718 PolarHBondContact OG-OG 3.26Å; S716-E719 PolarHBondContact N-OE1 3.02Å; S716-E719 PolarHBondContact O-N 3.17Å; S716-E719 WeakPolarHBondContact OG-CG 3.25Å; S716-E719 PolarHBondContact OG-OE1 3.31Å
717	A	95.6	Very high	95.8	Very high	2 Å²	2	30.8 Å²	30.8	2%	0.017	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-60.6	-31.3	-174.5	0	0	0	0	0	113.4	E719 L720 V727 N731 D743 V745	A717-E719 VanDerWaalsContact C-N 3.32Å; A717-E719 PolarHBondContact O-N 3.28Å; A717-L720 WeakPolarHBondContact O-CB 3.14Å; A717-L720 PolarHBondContact O-N 2.91Å; A717-V727 HydrophobicContact CB-CG1 4.04Å; A717-V727 VanDerWaalsContact O-CG1 3.3Å; A717-V727 WeakPolarHBondContact O-CG1 3.2Å; A717-N731 HydrophobicContact CB-CB 4.17Å; A717-N731 WeakPolarHBondContact CB-ND2 3.38Å; A717-D743 WeakPolarHBondContact CB-O 3.17Å; A717-D743 PolarHBondContact N-O 2.74Å; A717-V745 HydrophobicContact CB-CG1 3.87Å
718	S	94.7	Very high	95.7	Very high	84 Å²	84	36 Å²	36	59%	0.587	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-60.7	-33.9	177.7	48.5	0	0	0	0	113.9	S716 L720 G721	S716-S718 PolarHBondContact O-N 2.88Å; S716-S718 PolarHBondContact OG-OG 3.26Å; S718-L720 VanDerWaalsContact C-N 3.26Å; S718-L720 PolarHBondContact O-N 3.34Å; S718-G721 PolarHBondContact O-N 3.04Å
719	E	95.5	Very high	95.8	Very high	53 Å²	53	40.2 Å²	40.2	25%	0.248	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-68.4	-23.6	-179	-69	172.6	-99.8	0	0	113	F650 S716 A717 G721 S722	F650-E719 HydrophobicContact CD1-CB 3.62Å; F650-E719 HydrophobicContact CE1-CB 3.5Å; F650-E719 HydrophobicContact CZ-CB 4.37Å; S716-E719 PolarHBondContact N-OE1 3.02Å; S716-E719 PolarHBondContact O-N 3.17Å; S716-E719 WeakPolarHBondContact OG-CG 3.25Å; S716-E719 PolarHBondContact OG-OE1 3.31Å; A717-E719 VanDerWaalsContact C-N 3.32Å; A717-E719 PolarHBondContact O-N 3.28Å; E719-G721 PolarHBondContact O-N 2.94Å; E719-S722 VanDerWaalsContact O-CB 3.26Å; E719-S722 WeakPolarHBondContact O-CB 3.21Å; E719-S722 PolarHBondContact O-N 3.43Å; E719-S722 VanDerWaalsContact O-N 3.11Å; E719-S722 PolarHBondContact O-OG 2.95Å
720	L	96.7	Very high	95.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-65.1	-28	177.3	-167.8	65.8	0	0	0	112.2	F650 F683 A717 S718 S722 C723 L725 V727 L730 M736 V745	F650-L720 HydrophobicContact CZ-CD1 4.43Å; F683-L720 HydrophobicContact CD1-CD1 4.06Å; F683-L720 HydrophobicContact CE1-CD1 4.11Å; A717-L720 WeakPolarHBondContact O-CB 3.14Å; A717-L720 PolarHBondContact O-N 2.91Å; S718-L720 VanDerWaalsContact C-N 3.26Å; S718-L720 PolarHBondContact O-N 3.34Å; L720-S722 PolarHBondContact O-N 3.49Å; L720-C723 PolarHBondContact O-SG 2.95Å; L720-C723 VanDerWaalsContact O-SG 3.34Å; L720-L725 HydrophobicContact CD1-CD1 3.72Å; L720-L725 HydrophobicContact CG-CB 4.13Å; L720-L725 HydrophobicContact CG-CD1 4.1Å; L720-V727 HydrophobicContact CB-CG2 4.4Å; L720-L730 HydrophobicContact CD2-CB 3.89Å; L720-L730 HydrophobicContact CD2-CD1 4.21Å; L720-M736 HydrophobicContact CD1-CE 3.79Å; L720-M736 HydrophobicContact CD1-SD 4.34Å; L720-M736 HydrophobicContact CD2-CE 4.19Å; L720-M736 HydrophobicContact CD2-SD 3.92Å; L720-V745 HydrophobicContact CB-CG2 4.24Å; L720-V745 HydrophobicContact CD2-CB 4.47Å; L720-V745 HydrophobicContact CD2-CG1 4.21Å
721	G	97.1	Very high	96.1	Very high	22 Å²	22	38.1 Å²	38.1	23%	0.227	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-66.2	-21.4	174.9	0	0	0	0	0	113.5	S718 E719 C723 G724	S718-G721 PolarHBondContact O-N 3.04Å; E719-G721 PolarHBondContact O-N 2.94Å; G721-C723 PolarHBondContact O-N 3.12Å; G721-G724 WeakPolarHBondContact O-CA 3.42Å; G721-G724 PolarHBondContact O-N 2.73Å
722	S	97.7	Very high	96.3	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.063	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-60.9	-42.2	-177.7	-68.1	0	0	0	0	112.8	F607 D608 R651 E719 L720 G724	F607-S722 CarbonylContact C-O 3.59Å; F607-S722 VanDerWaalsContact CA-O 3.27Å; F607-S722 WeakPolarHBondContact CA-O 3.27Å; F607-S722 WeakPolarHBondContact CD2-O 3.39Å; D608-S722 PolarHBondContact N-O 2.95Å; D608-S722 WeakPolarHBondContact OD1-CA 3.4Å; D608-S722 WeakPolarHBondContact OD1-CB 3.42Å; D608-S722 PolarHBondContact OD1-OG 3.26Å; R651-S722 PolarHBondContact NH1-OG 2.82Å; E719-S722 VanDerWaalsContact O-CB 3.26Å; E719-S722 WeakPolarHBondContact O-CB 3.21Å; E719-S722 PolarHBondContact O-N 3.43Å; E719-S722 VanDerWaalsContact O-N 3.11Å; E719-S722 PolarHBondContact O-OG 2.95Å; L720-S722 PolarHBondContact O-N 3.49Å; S722-G724 PolarHBondContact O-N 3.23Å
723	C	97.7	Very high	96.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-80.2	-0.3	174.9	62.6	0	0	0	0	114.2	F607 R658 L720 G721	F607-C723 HydrophobicContact CE2-CB 4.29Å; R658-C723 HydrophobicContact CB-CB 4.24Å; R658-C723 WeakPolarHBondContact CD-O 3.36Å; R658-C723 PolarHBondContact NH1-O 3.26Å; L720-C723 PolarHBondContact O-SG 2.95Å; L720-C723 VanDerWaalsContact O-SG 3.34Å; G721-C723 PolarHBondContact O-N 3.12Å
724	G	97.1	Very high	96.1	Very high	20 Å²	20	44.4 Å²	44.4	21%	0.206	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	94	16.1	174.1	0	0	0	0	0	115.9	L691 G721 S722	L691-G724 WeakPolarHBondContact CD1-O 3.45Å; G721-G724 WeakPolarHBondContact O-CA 3.42Å; G721-G724 PolarHBondContact O-N 2.73Å; S722-G724 PolarHBondContact O-N 3.23Å
725	L	97.7	Very high	96.1	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.031	26%	0.259	C	S	.	.			trans	-82.5	145.9	174.4	-75.3	175.7	0	0	0	111.6	P686 L687 D690 L720 V727 L730	P686-L725 HydrophobicContact CB-CD1 4.2Å; P686-L725 HydrophobicContact CB-CD2 4.22Å; P686-L725 HydrophobicContact CG-CD1 4.04Å; L687-L725 HydrophobicContact CD2-CD1 4.27Å; L687-L725 HydrophobicContact CD2-CD2 3.78Å; L687-L725 HydrophobicContact CD2-CG 3.71Å; L687-L725 HydrophobicContact CG-CD1 4.19Å; L687-L725 HydrophobicContact CG-CD2 4.13Å; L687-L725 HydrophobicContact CG-CG 4.14Å; D690-L725 HydrophobicContact CB-CD2 4.22Å; L720-L725 HydrophobicContact CD1-CD1 3.72Å; L720-L725 HydrophobicContact CG-CB 4.13Å; L720-L725 HydrophobicContact CG-CD1 4.1Å; L725-V727 PolarHBondContact O-N 3.22Å; L725-V727 VanDerWaalsContact O-N 3.16Å; L725-L730 HydrophobicContact CB-CD1 3.73Å; L725-L730 HydrophobicContact CD1-CD1 4.15Å; L725-L730 HydrophobicContact CD2-CD1 3.95Å; L725-L730 HydrophobicContact CG-CD1 4.15Å
726	D	96.4	Very high	96.2	Very high	67 Å²	67	46.7 Å²	46.7	36%	0.358	26%	0.256	S	S	.	.			trans	-75.2	104.7	177.2	-171.7	-27.1	0	0	0	111.9	N728 Q729 L730	D726-N728 VanDerWaalsContact C-N 3.28Å; D726-N728 PolarHBondContact O-N 2.74Å; D726-N728 WeakPolarHBondContact OD1-CA 3.33Å; D726-N728 WeakPolarHBondContact OD1-CB 3.25Å; D726-N728 PolarHBondContact OD1-N 2.75Å; D726-Q729 HydrophobicContact CB-CB 4.11Å; D726-Q729 HydrophobicContact CB-CG 3.94Å; D726-Q729 VanDerWaalsContact CG-CG 3.44Å; D726-Q729 PolarHBondContact O-N 3.1Å; D726-Q729 PolarHBondContact OD1-N 3.06Å; D726-Q729 VanDerWaalsContact OD2-CG 3.28Å; D726-Q729 WeakPolarHBondContact OD2-CG 3.26Å; D726-L730 WeakPolarHBondContact O-CB 3.48Å; D726-L730 WeakPolarHBondContact O-CG 3.47Å; D726-L730 PolarHBondContact O-N 3.13Å
727	V	96.3	Very high	96.2	Very high	34 Å²	34	46.8 Å²	46.8	21%	0.206	25%	0.253	C	S	.	.	H	α-helix	trans	-57.9	-36.1	177.8	-176.4	0	0	0	0	112.5	A717 L720 L725 N731	A717-V727 HydrophobicContact CB-CG1 4.04Å; A717-V727 VanDerWaalsContact O-CG1 3.3Å; A717-V727 WeakPolarHBondContact O-CG1 3.2Å; L720-V727 HydrophobicContact CB-CG2 4.4Å; L725-V727 PolarHBondContact O-N 3.22Å; L725-V727 VanDerWaalsContact O-N 3.16Å; V727-N731 HydrophobicContact CG1-CB 4.38Å; V727-N731 WeakPolarHBondContact O-CB 3.41Å; V727-N731 PolarHBondContact O-N 2.83Å
728	N	94.4	Very high	96.2	Very high	127 Å²	127	47.6 Å²	47.6	68%	0.679	26%	0.257	S	S	*	.	H	α-helix	trans	-77.5	-23.7	-177.2	-60.4	-57.2	0	0	0	112.8	D726 R732	D726-N728 VanDerWaalsContact C-N 3.28Å; D726-N728 PolarHBondContact O-N 2.74Å; D726-N728 WeakPolarHBondContact OD1-CA 3.33Å; D726-N728 WeakPolarHBondContact OD1-CB 3.25Å; D726-N728 PolarHBondContact OD1-N 2.75Å; N728-R732 VanDerWaalsContact O-CZ 3.3Å; N728-R732 PolarHBondContact O-NE 3.42Å; N728-R732 PolarHBondContact O-NH2 2.86Å
729	Q	94.9	Very high	95.7	Very high	103 Å²	103	48.6 Å²	48.6	48%	0.481	25%	0.252	S	S	.	.	H	α-helix	trans	-85.9	-33	173.1	-58.7	-74.2	28.5	0	0	111.6	D726 R732	D726-Q729 HydrophobicContact CB-CB 4.11Å; D726-Q729 HydrophobicContact CB-CG 3.94Å; D726-Q729 VanDerWaalsContact CG-CG 3.44Å; D726-Q729 PolarHBondContact O-N 3.1Å; D726-Q729 PolarHBondContact OD1-N 3.06Å; D726-Q729 VanDerWaalsContact OD2-CG 3.28Å; D726-Q729 WeakPolarHBondContact OD2-CG 3.26Å; Q729-R732 WeakPolarHBondContact O-CD 3.33Å
730	L	96.6	Very high	95.1	Very high	10 Å²	10	50.3 Å²	50.3	5%	0.052	27%	0.269	C	S	.	.	H	α-helix	trans	-98.8	-28	-171.8	-66.7	167.1	0	0	0	114.9	L720 L725 D726 R732 R735 M736 F754	L720-L730 HydrophobicContact CD2-CB 3.89Å; L720-L730 HydrophobicContact CD2-CD1 4.21Å; L725-L730 HydrophobicContact CB-CD1 3.73Å; L725-L730 HydrophobicContact CD1-CD1 4.15Å; L725-L730 HydrophobicContact CD2-CD1 3.95Å; L725-L730 HydrophobicContact CG-CD1 4.15Å; D726-L730 WeakPolarHBondContact O-CB 3.48Å; D726-L730 WeakPolarHBondContact O-CG 3.47Å; D726-L730 PolarHBondContact O-N 3.13Å; L730-R732 PolarHBondContact O-N 2.85Å; L730-R735 HydrophobicContact CD2-CB 4.46Å; L730-R735 VanDerWaalsContact O-CB 3.25Å; L730-R735 WeakPolarHBondContact O-CB 3.34Å; L730-M736 HydrophobicContact CB-CB 4.45Å; L730-M736 HydrophobicContact CB-CG 4.29Å; L730-M736 HydrophobicContact CB-SD 4.15Å; L730-M736 HydrophobicContact CD1-SD 4.14Å; L730-M736 HydrophobicContact CD2-CG 4.27Å; L730-M736 HydrophobicContact CD2-SD 4.1Å; L730-M736 HydrophobicContact CG-SD 4.37Å; L730-M736 WeakPolarHBondContact O-CA 3.28Å; L730-M736 WeakPolarHBondContact O-CB 3.38Å; L730-M736 PolarHBondContact O-N 3.21Å; L730-F754 HydrophobicContact CD2-CE2 3.62Å; L730-F754 HydrophobicContact CD2-CZ 3.56Å
731	N	96.2	Very high	94.6	Very high	32 Å²	32	53 Å²	53	17%	0.171	29%	0.288	C	S	.	.	S	Bend	trans	-78.1	67.3	170.7	-172.7	19.8	0	0	0	110.9	A717 V727 Q737 G742 V745	A717-N731 HydrophobicContact CB-CB 4.17Å; A717-N731 WeakPolarHBondContact CB-ND2 3.38Å; V727-N731 HydrophobicContact CG1-CB 4.38Å; V727-N731 WeakPolarHBondContact O-CB 3.41Å; V727-N731 PolarHBondContact O-N 2.83Å; N731-Q737 WeakPolarHBondContact OD1-CB 3.25Å; N731-Q737 VanDerWaalsContact OD1-CG 3.3Å; N731-Q737 WeakPolarHBondContact OD1-CG 3.47Å; N731-Q737 PolarHBondContact OD1-NE2 2.84Å; N731-G742 PolarHBondContact ND2-O 2.9Å; N731-G742 PolarHBondContact OD1-O 3.2Å; N731-V745 HydrophobicContact CB-CG1 4.03Å
732	R	96	Very high	94	Very high	106 Å²	106	54 Å²	54	40%	0.4	30%	0.299	S	S	.	.	S	Bend	trans	-134.8	152	176.9	-58.6	-172.7	-177.5	178.2	9.6	111.2	N728 Q729 L730 D734 R735 Q737	N728-R732 VanDerWaalsContact O-CZ 3.3Å; N728-R732 PolarHBondContact O-NE 3.42Å; N728-R732 PolarHBondContact O-NH2 2.86Å; Q729-R732 WeakPolarHBondContact O-CD 3.33Å; L730-R732 PolarHBondContact O-N 2.85Å; R732-D734 VanDerWaalsContact CB-OD1 3.3Å; R732-D734 WeakPolarHBondContact CB-OD1 3.5Å; R732-D734 PolarHBondContact O-N 3.33Å; R732-R735 HydrophobicContact CB-CB 4.32Å; R732-R735 CarbonylContact O-C 3.17Å; R732-R735 WeakPolarHBondContact O-CA 3.49Å; R732-R735 PolarHBondContact O-N 2.79Å; R732-Q737 WeakPolarHBondContact O-CB 3.37Å; R732-Q737 PolarHBondContact O-N 2.72Å
733	P	94.6	Very high	93.7	Very high	89 Å²	89	58.5 Å²	58.5	58%	0.578	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-35.6	-178.4	-25.9	32.2	0	0	0	114.3	R735 K749	P733-R735 VanDerWaalsContact C-N 3.31Å; P733-K749 PolarHBondContact O-NZ 2.64Å
734	D	94.7	Very high	93.7	Very high	91 Å²	91	62.8 Å²	62.8	49%	0.487	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	6	178.4	70.8	-50	0	0	0	113.7	R732	R732-D734 VanDerWaalsContact CB-OD1 3.3Å; R732-D734 WeakPolarHBondContact CB-OD1 3.5Å; R732-D734 PolarHBondContact O-N 3.33Å
735	R	96.8	Very high	93.7	Very high	91 Å²	91	61.9 Å²	61.9	34%	0.343	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130	-131.4	175.6	-64.9	-64.2	-178.9	-71.4	-15.5	109.3	L730 R732 P733 K749 I753	L730-R735 HydrophobicContact CD2-CB 4.46Å; L730-R735 VanDerWaalsContact O-CB 3.25Å; L730-R735 WeakPolarHBondContact O-CB 3.34Å; R732-R735 HydrophobicContact CB-CB 4.32Å; R732-R735 CarbonylContact O-C 3.17Å; R732-R735 WeakPolarHBondContact O-CA 3.49Å; R732-R735 PolarHBondContact O-N 2.79Å; P733-R735 VanDerWaalsContact C-N 3.31Å; R735-K749 WeakPolarHBondContact O-CD 3.35Å; R735-K749 WeakPolarHBondContact O-CE 3.45Å; R735-I753 WeakPolarHBondContact O-CD1 3.49Å
736	M	97.4	Very high	93.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-0.5	-168.1	-60.2	-175.5	63.6	0	0	114.3	P686 L720 L730 D738 V745 N746	P686-M736 HydrophobicContact CB-SD 4.17Å; P686-M736 HydrophobicContact CG-CE 4.34Å; P686-M736 HydrophobicContact CG-SD 3.96Å; L720-M736 HydrophobicContact CD1-CE 3.79Å; L720-M736 HydrophobicContact CD1-SD 4.34Å; L720-M736 HydrophobicContact CD2-CE 4.19Å; L720-M736 HydrophobicContact CD2-SD 3.92Å; L730-M736 HydrophobicContact CB-CB 4.45Å; L730-M736 HydrophobicContact CB-CG 4.29Å; L730-M736 HydrophobicContact CB-SD 4.15Å; L730-M736 HydrophobicContact CD1-SD 4.14Å; L730-M736 HydrophobicContact CD2-CG 4.27Å; L730-M736 HydrophobicContact CD2-SD 4.1Å; L730-M736 HydrophobicContact CG-SD 4.37Å; L730-M736 WeakPolarHBondContact O-CA 3.28Å; L730-M736 WeakPolarHBondContact O-CB 3.38Å; L730-M736 PolarHBondContact O-N 3.21Å; M736-D738 PolarHBondContact O-N 3.29Å; M736-V745 CarbonylContact O-C 3.58Å; M736-V745 VanDerWaalsContact O-CA 3.3Å; M736-V745 WeakPolarHBondContact O-CA 3.02Å; M736-N746 PolarHBondContact O-N 3.19Å
737	Q	97.2	Very high	93.8	Very high	37 Å²	37	58.4 Å²	58.4	17%	0.173	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-62	132.5	179.5	-174.7	169.2	82.6	0	0	111.5	N731 R732 G742 K749	N731-Q737 WeakPolarHBondContact OD1-CB 3.25Å; N731-Q737 VanDerWaalsContact OD1-CG 3.3Å; N731-Q737 WeakPolarHBondContact OD1-CG 3.47Å; N731-Q737 PolarHBondContact OD1-NE2 2.84Å; R732-Q737 WeakPolarHBondContact O-CB 3.37Å; R732-Q737 PolarHBondContact O-N 2.72Å; Q737-G742 PolarHBondContact NE2-O 2.78Å; Q737-K749 VanDerWaalsContact O-CD 3.31Å; Q737-K749 WeakPolarHBondContact O-CD 3.45Å; Q737-K749 PolarHBondContact O-NZ 3.06Å
738	D	94.1	Very high	93.9	Very high	18 Å²	18	56.8 Å²	56.8	10%	0.096	30%	0.301	C	S	.	.			trans	-74.6	150.8	178.1	-168	-89.9	0	0	0	111.7	T714 M736 S740 R744 N746	T714-D738 HydrophobicContact CG2-CB 3.71Å; T714-D738 WeakPolarHBondContact CG2-OD2 3.41Å; T714-D738 PolarHBondContact OG1-OD2 3.48Å; T714-D738 VanDerWaalsContact OG1-OD2 3.09Å; M736-D738 PolarHBondContact O-N 3.29Å; D738-S740 VanDerWaalsContact C-N 3.3Å; D738-S740 PolarHBondContact O-N 2.85Å; D738-S740 VanDerWaalsContact OD1-CB 3.27Å; D738-S740 WeakPolarHBondContact OD1-CB 3.33Å; D738-S740 PolarHBondContact OD1-N 3.1Å; D738-S740 PolarHBondContact OD1-OG 2.6Å; D738-R744 HydrophobicContact CB-CB 3.87Å; D738-R744 WeakPolarHBondContact CB-O 3.27Å; D738-R744 PolarHBondContact N-O 3.28Å; D738-N746 HydrophobicContact CB-CB 4.14Å; D738-N746 PolarHBondContact OD2-ND2 2.7Å
739	H	85.7	Confident	94.1	Very high	106 Å²	106	50.9 Å²	50.9	49%	0.491	27%	0.269	S	S	.	.	S	Bend	trans	-79.4	-8.9	-177.7	-70.3	-73.3	0	0	0	114	K749	H739-K749 PolarHBondContact CE1-NZ 2.97Å; H739-K749 PolarHBondContact NE2-NZ 2.92Å
740	S	82.8	Confident	94.2	Very high	88 Å²	88	46 Å²	46	62%	0.615	25%	0.246	S	C	*	.	S	Bend	trans	-87.6	-28	178	64.7	0	0	0	0	114.8	D738	D738-S740 VanDerWaalsContact C-N 3.3Å; D738-S740 PolarHBondContact O-N 2.85Å; D738-S740 VanDerWaalsContact OD1-CB 3.27Å; D738-S740 WeakPolarHBondContact OD1-CB 3.33Å; D738-S740 PolarHBondContact OD1-N 3.1Å; D738-S740 PolarHBondContact OD1-OG 2.6Å
741	S	84.9	Confident	94.3	Very high	56 Å²	56	45.5 Å²	45.5	39%	0.392	24%	0.243	S	C	.	.			trans	-163.2	140.8	-178.7	179	0	0	0	0	111.9	D743 R744	S741-D743 PolarHBondContact O-N 2.84Å; S741-R744 PolarHBondContact O-N 3.06Å; S741-R744 VanDerWaalsContact O-N 3.13Å
742	G	84.8	Confident	94.4	Very high	44 Å²	44	44 Å²	44	45%	0.454	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-13.6	-179.4	0	0	0	0	0	115.6	N731 Q737	N731-G742 PolarHBondContact ND2-O 2.9Å; N731-G742 PolarHBondContact OD1-O 3.2Å; Q737-G742 PolarHBondContact NE2-O 2.78Å
743	D	92.3	Very high	94.5	Very high	104 Å²	104	40.2 Å²	40.2	56%	0.556	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	12.9	174.5	-167.4	48.8	0	0	0	112.8	A717 S741	A717-D743 WeakPolarHBondContact CB-O 3.17Å; A717-D743 PolarHBondContact N-O 2.74Å; S741-D743 PolarHBondContact O-N 2.84Å
744	R	96.2	Very high	94.7	Very high	90 Å²	90	38.1 Å²	38.1	34%	0.34	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.7	-179.9	-67.8	-178.3	62.2	69.2	-5.3	111.3	T714 A715 D738 S741	T714-R744 HydrophobicContact CG2-CB 4.06Å; T714-R744 PolarHBondContact O-NH2 2.94Å; A715-R744 VanDerWaalsContact O-CA 3.26Å; A715-R744 WeakPolarHBondContact O-CA 3.28Å; A715-R744 WeakPolarHBondContact O-CB 3.43Å; D738-R744 HydrophobicContact CB-CB 3.87Å; D738-R744 WeakPolarHBondContact CB-O 3.27Å; D738-R744 PolarHBondContact N-O 3.28Å; S741-R744 PolarHBondContact O-N 3.06Å; S741-R744 VanDerWaalsContact O-N 3.13Å
745	V	97.3	Very high	94.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.7	179.5	-69	0	0	0	0	110.9	F650 T714 A715 A717 L720 N731 M736	F650-V745 HydrophobicContact CZ-CG2 4.25Å; T714-V745 VanDerWaalsContact CA-O 3.25Å; T714-V745 WeakPolarHBondContact CA-O 3.45Å; T714-V745 WeakPolarHBondContact CG2-O 3Å; A715-V745 PolarHBondContact N-O 3.19Å; A715-V745 VanDerWaalsContact N-O 3.07Å; A715-V745 PolarHBondContact O-N 3.38Å; A717-V745 HydrophobicContact CB-CG1 3.87Å; L720-V745 HydrophobicContact CB-CG2 4.24Å; L720-V745 HydrophobicContact CD2-CB 4.47Å; L720-V745 HydrophobicContact CD2-CG1 4.21Å; N731-V745 HydrophobicContact CB-CG1 4.03Å; M736-V745 CarbonylContact O-C 3.58Å; M736-V745 VanDerWaalsContact O-CA 3.3Å; M736-V745 WeakPolarHBondContact O-CA 3.02Å
746	N	97.9	Very high	95	Very high	1 Å²	1	32 Å²	32	1%	0.005	18%	0.179	C	C	.	.			trans	-123.7	100.1	-170.9	-171.9	-54.3	0	0	0	109.4	Q712 T714 M736 D738 V748 K749 G750	Q712-N746 PolarHBondContact OE1-ND2 3.06Å; T714-N746 PolarHBondContact OG1-ND2 3.48Å; M736-N746 PolarHBondContact O-N 3.19Å; D738-N746 HydrophobicContact CB-CB 4.14Å; D738-N746 PolarHBondContact OD2-ND2 2.7Å; N746-V748 VanDerWaalsContact C-N 3.31Å; N746-V748 PolarHBondContact O-N 3.29Å; N746-V748 PolarHBondContact OD1-N 2.62Å; N746-K749 HydrophobicContact CB-CB 3.81Å; N746-K749 WeakPolarHBondContact O-CB 3.35Å; N746-K749 PolarHBondContact O-N 3.26Å; N746-K749 WeakPolarHBondContact OD1-CB 3.12Å; N746-K749 PolarHBondContact OD1-N 3.38Å; N746-G750 PolarHBondContact O-N 2.86Å; N746-G750 VanDerWaalsContact O-N 3.1Å
747	P	98.3	Very high	95.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-52.1	-44.2	178.7	-31	36.2	0	0	0	113.9	F650 A682 F683 Q712 G713 K749 G750 A751	F650-P747 HydrophobicContact CD2-CG 4.3Å; F650-P747 HydrophobicContact CE2-CG 3.56Å; F650-P747 HydrophobicContact CZ-CG 4.34Å; A682-P747 HydrophobicContact CB-CB 4.01Å; A682-P747 WeakPolarHBondContact CB-O 3.37Å; F683-P747 HydrophobicContact CD1-CB 4.48Å; F683-P747 HydrophobicContact CD1-CG 4.49Å; F683-P747 HydrophobicContact CE1-CB 4.03Å; F683-P747 HydrophobicContact CE1-CG 3.62Å; F683-P747 HydrophobicContact CE2-CB 4.32Å; F683-P747 HydrophobicContact CE2-CG 4.31Å; F683-P747 HydrophobicContact CZ-CB 3.94Å; F683-P747 HydrophobicContact CZ-CG 3.51Å; Q712-P747 WeakPolarHBondContact O-CD 3.41Å; G713-P747 WeakPolarHBondContact O-CD 3.44Å; G713-P747 WeakPolarHBondContact O-CG 3.23Å; P747-K749 PolarHBondContact O-N 3.49Å; P747-G750 CarbonylContact O-C 3.43Å; P747-G750 WeakPolarHBondContact O-CA 3.45Å; P747-G750 PolarHBondContact O-N 2.8Å; P747-A751 PolarHBondContact O-N 3.43Å
748	V	98.5	Very high	95.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.2	-41.1	-179.9	174.8	0	0	0	0	111.4	W679 F704 F709 Q712 N746 G750 A751 I752 L778	W679-V748 HydrophobicContact CB-CG2 3.52Å; F704-V748 HydrophobicContact CE1-CG1 4.02Å; F704-V748 HydrophobicContact CZ-CG1 4.14Å; F704-V748 HydrophobicContact CZ-CG2 4.22Å; F709-V748 HydrophobicContact CD1-CG1 4.04Å; F709-V748 HydrophobicContact CE1-CG1 4.11Å; Q712-V748 HydrophobicContact CB-CB 4.47Å; Q712-V748 HydrophobicContact CB-CG2 4.49Å; Q712-V748 PolarHBondContact O-N 2.67Å; N746-V748 VanDerWaalsContact C-N 3.31Å; N746-V748 PolarHBondContact O-N 3.29Å; N746-V748 PolarHBondContact OD1-N 2.62Å; V748-G750 VanDerWaalsContact C-N 3.27Å; V748-G750 PolarHBondContact O-N 2.88Å; V748-A751 PolarHBondContact O-N 2.86Å; V748-I752 HydrophobicContact CG1-CD1 4Å; V748-I752 HydrophobicContact CG1-CG1 4.41Å; V748-I752 VanDerWaalsContact O-CG1 3.27Å; V748-I752 WeakPolarHBondContact O-CG1 3.28Å; V748-I752 PolarHBondContact O-N 3.19Å; V748-L778 HydrophobicContact CB-CD1 4.23Å; V748-L778 HydrophobicContact CG1-CD1 3.7Å
749	K	98.2	Very high	95.3	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.009	17%	0.169	C	C	.	.	H	α-helix	trans	-56.7	-42.5	170.7	-167	178.9	173.8	179.5	0	111.7	P733 R735 Q737 H739 N746 P747 I752 I753 L778 T781	P733-K749 PolarHBondContact O-NZ 2.64Å; R735-K749 WeakPolarHBondContact O-CD 3.35Å; R735-K749 WeakPolarHBondContact O-CE 3.45Å; Q737-K749 VanDerWaalsContact O-CD 3.31Å; Q737-K749 WeakPolarHBondContact O-CD 3.45Å; Q737-K749 PolarHBondContact O-NZ 3.06Å; H739-K749 PolarHBondContact CE1-NZ 2.97Å; H739-K749 PolarHBondContact NE2-NZ 2.92Å; N746-K749 HydrophobicContact CB-CB 3.81Å; N746-K749 WeakPolarHBondContact O-CB 3.35Å; N746-K749 PolarHBondContact O-N 3.26Å; N746-K749 WeakPolarHBondContact OD1-CB 3.12Å; N746-K749 PolarHBondContact OD1-N 3.38Å; P747-K749 PolarHBondContact O-N 3.49Å; K749-I752 PolarHBondContact O-N 3.22Å; K749-I753 HydrophobicContact CG-CD1 4.02Å; K749-I753 VanDerWaalsContact O-CG1 3.3Å; K749-I753 WeakPolarHBondContact O-CG1 3.46Å; K749-I753 PolarHBondContact O-N 3.1Å; K749-L778 HydrophobicContact CB-CD2 3.72Å; K749-L778 HydrophobicContact CD-CD2 4.43Å; K749-L778 HydrophobicContact CG-CD2 4.07Å; K749-T781 HydrophobicContact CG-CG2 4.14Å
750	G	98.1	Very high	95.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-54.9	-54	171.7	0	0	0	0	0	112.6	N746 P747 V748 I752 I753 F754	N746-G750 PolarHBondContact O-N 2.86Å; N746-G750 VanDerWaalsContact O-N 3.1Å; P747-G750 CarbonylContact O-C 3.43Å; P747-G750 WeakPolarHBondContact O-CA 3.45Å; P747-G750 PolarHBondContact O-N 2.8Å; V748-G750 VanDerWaalsContact C-N 3.27Å; V748-G750 PolarHBondContact O-N 2.88Å; G750-I752 PolarHBondContact O-N 3.15Å; G750-I753 PolarHBondContact O-N 3.02Å; G750-I753 VanDerWaalsContact O-N 3.11Å; G750-F754 WeakPolarHBondContact O-CB 3.05Å; G750-F754 WeakPolarHBondContact O-CD2 3.5Å; G750-F754 PolarHBondContact O-N 2.97Å
751	A	98.7	Very high	96.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-37.6	179.2	0	0	0	0	0	113.5	A682 A685 F704 P747 V748 I753 S755	A682-A751 HydrophobicContact CB-CB 3.68Å; A685-A751 HydrophobicContact CB-CB 4.32Å; F704-A751 HydrophobicContact CB-CB 4.16Å; F704-A751 HydrophobicContact CD1-CB 3.48Å; F704-A751 VanDerWaalsContact CD1-CB 3.48Å; F704-A751 HydrophobicContact CD2-CB 3.77Å; F704-A751 HydrophobicContact CE1-CB 3.71Å; F704-A751 HydrophobicContact CE2-CB 3.97Å; F704-A751 HydrophobicContact CG-CB 3.53Å; F704-A751 HydrophobicContact CZ-CB 3.95Å; P747-A751 PolarHBondContact O-N 3.43Å; V748-A751 PolarHBondContact O-N 2.86Å; A751-I753 VanDerWaalsContact C-N 3.27Å; A751-I753 PolarHBondContact O-N 3.36Å; A751-S755 WeakPolarHBondContact O-CB 3.38Å; A751-S755 PolarHBondContact O-N 3.16Å; A751-S755 PolarHBondContact O-OG 3.47Å
752	I	98.6	Very high	97.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60	-39.4	173.3	-61	158.2	0	0	0	110.7	F709 V748 K749 G750 V758 L778 T781 L782 H785 K788	F709-I752 HydrophobicContact CE1-CD1 4.11Å; V748-I752 HydrophobicContact CG1-CD1 4Å; V748-I752 HydrophobicContact CG1-CG1 4.41Å; V748-I752 VanDerWaalsContact O-CG1 3.27Å; V748-I752 WeakPolarHBondContact O-CG1 3.28Å; V748-I752 PolarHBondContact O-N 3.19Å; K749-I752 PolarHBondContact O-N 3.22Å; G750-I752 PolarHBondContact O-N 3.15Å; I752-V758 HydrophobicContact CG1-CG1 4.3Å; I752-L778 HydrophobicContact CD1-CB 4.4Å; I752-L778 HydrophobicContact CD1-CD1 4.14Å; I752-T781 HydrophobicContact CB-CG2 4.26Å; I752-T781 HydrophobicContact CG2-CG2 3.84Å; I752-L782 HydrophobicContact CD1-CD2 3.68Å; I752-L782 HydrophobicContact CD1-CG 4.05Å; I752-L782 HydrophobicContact CG1-CD2 3.91Å; I752-L782 HydrophobicContact CG2-CD2 3.91Å; I752-H785 HydrophobicContact CG2-CB 4.19Å; I752-K788 WeakPolarHBondContact O-CE 3.29Å; I752-K788 PolarHBondContact O-NZ 2.68Å
753	I	98.4	Very high	97.6	Very high	28 Å²	28	18.4 Å²	18.4	14%	0.144	9%	0.092	C	C	.	.	H	α-helix	trans	-74.6	-49.4	-179.6	-68.4	167.4	0	0	0	111.5	R735 K749 G750 A751 T781 K788	R735-I753 WeakPolarHBondContact O-CD1 3.49Å; K749-I753 HydrophobicContact CG-CD1 4.02Å; K749-I753 VanDerWaalsContact O-CG1 3.3Å; K749-I753 WeakPolarHBondContact O-CG1 3.46Å; K749-I753 PolarHBondContact O-N 3.1Å; G750-I753 PolarHBondContact O-N 3.02Å; G750-I753 VanDerWaalsContact O-N 3.11Å; A751-I753 VanDerWaalsContact C-N 3.27Å; A751-I753 PolarHBondContact O-N 3.36Å; I753-T781 HydrophobicContact CD1-CG2 4.26Å; I753-T781 HydrophobicContact CG1-CG2 3.87Å; I753-K788 PolarHBondContact O-NZ 3.34Å
754	F	98.5	Very high	97.8	Very high	44 Å²	44	14.4 Å²	14.4	19%	0.193	7%	0.072	C	C	.	.	H	α-helix	trans	-87.4	-24.4	-169.3	-76.2	-80.2	0	0	0	115.3	A685 P686 W689 L730 G750	A685-F754 HydrophobicContact CB-CB 3.81Å; P686-F754 HydrophobicContact CB-CD2 3.78Å; P686-F754 HydrophobicContact CB-CE2 3.98Å; P686-F754 HydrophobicContact CB-CG 4.13Å; P686-F754 HydrophobicContact CB-CZ 4.48Å; P686-F754 HydrophobicContact CG-CD2 4.48Å; W689-F754 HydrophobicContact CB-CD1 4.48Å; W689-F754 PolarHBondContact NE1-O 2.99Å; L730-F754 HydrophobicContact CD2-CE2 3.62Å; L730-F754 HydrophobicContact CD2-CZ 3.56Å; G750-F754 WeakPolarHBondContact O-CB 3.05Å; G750-F754 WeakPolarHBondContact O-CD2 3.5Å; G750-F754 PolarHBondContact O-N 2.97Å
755	S	98.6	Very high	97.8	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.014	6%	0.057	C	C	.	.			trans	-72.1	147.8	179.4	-62.7	0	0	0	0	112.7	A685 I702 F704 A751 I757 K788	A685-S755 WeakPolarHBondContact CB-OG 3.43Å; I702-S755 WeakPolarHBondContact CG2-OG 3.31Å; F704-S755 WeakPolarHBondContact CB-OG 3.43Å; A751-S755 WeakPolarHBondContact O-CB 3.38Å; A751-S755 PolarHBondContact O-N 3.16Å; A751-S755 PolarHBondContact O-OG 3.47Å; S755-I757 WeakPolarHBondContact CB-O 3.29Å; S755-K788 WeakPolarHBondContact O-CD 3.34Å; S755-K788 WeakPolarHBondContact O-CE 3.4Å; S755-K788 PolarHBondContact O-NZ 3.39Å
756	N	98.5	Very high	97.8	Very high	53 Å²	53	10.6 Å²	10.6	28%	0.283	6%	0.058	S	C	.	.	S	Bend	trans	-76.5	-31.3	175.1	-53.6	114.5	0	0	0	112	W689 R701 I702 K788	W689-N756 WeakPolarHBondContact CZ2-OD1 3.29Å; R701-N756 WeakPolarHBondContact CA-OD1 3.17Å; R701-N756 HydrophobicContact CB-CB 4.32Å; R701-N756 WeakPolarHBondContact CB-OD1 3.28Å; I702-N756 PolarHBondContact N-OD1 3.45Å; I702-N756 PolarHBondContact O-N 2.83Å; N756-K788 WeakPolarHBondContact O-CB 3.43Å
757	I	98.7	Very high	97.7	Very high	9 Å²	9	16.6 Å²	16.6	5%	0.046	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.4	177.6	-53.3	162.1	0	0	0	107.4	I702 C703 F704 S755 T759 L1025 Y1026	I702-I757 PolarHBondContact O-N 2.68Å; I702-I757 VanDerWaalsContact O-N 3.1Å; C703-I757 HydrophobicContact CB-CB 4.22Å; C703-I757 HydrophobicContact CB-CD1 4.36Å; F704-I757 PolarHBondContact N-O 3.49Å; S755-I757 WeakPolarHBondContact CB-O 3.29Å; I757-T759 HydrophobicContact CG2-CG2 4Å; I757-L1025 HydrophobicContact CD1-CB 4.08Å; I757-L1025 WeakPolarHBondContact CD1-O 3.2Å; I757-L1025 HydrophobicContact CG2-CB 4.15Å; I757-L1025 HydrophobicContact CG2-CD1 3.84Å; I757-L1025 HydrophobicContact CG2-CG 4.48Å; I757-Y1026 HydrophobicContact CD1-CD1 3.83Å
758	V	98.7	Very high	97.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.4	173.6	-173.7	0	0	0	0	107.8	F704 I752 K788 F789 I790	F704-V758 HydrophobicContact CD1-CG1 4.25Å; F704-V758 CarbonylContact O-C 3.4Å; F704-V758 WeakPolarHBondContact O-CA 3.26Å; I752-V758 HydrophobicContact CG1-CG1 4.3Å; V758-K788 HydrophobicContact CG2-CD 4.21Å; V758-K788 HydrophobicContact CG2-CG 4.34Å; V758-K788 PolarHBondContact N-O 3.34Å; V758-K788 VanDerWaalsContact O-O 3.06Å; V758-F789 HydrophobicContact CB-CB 4.36Å; V758-F789 HydrophobicContact CB-CD2 4.14Å; V758-F789 HydrophobicContact CG1-CD2 3.72Å; V758-F789 HydrophobicContact CG1-CE2 4.36Å; V758-F789 HydrophobicContact CG1-CG 4.48Å; V758-F789 VanDerWaalsContact O-CA 3.31Å; V758-F789 WeakPolarHBondContact O-CA 3.24Å; V758-I790 PolarHBondContact O-N 2.88Å; V758-I790 VanDerWaalsContact O-N 3.11Å
759	T	98.5	Very high	97.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	157	-178.3	55.3	0	0	0	0	111.6	F704 T705 C706 I757 I790 Y1022 L1025	F704-T759 PolarHBondContact O-N 3.32Å; F704-T759 PolarHBondContact O-OG1 2.93Å; F704-T759 VanDerWaalsContact O-OG1 3.09Å; T705-T759 WeakPolarHBondContact CA-O 3.36Å; T705-T759 WeakPolarHBondContact CA-OG1 3.34Å; T705-T759 WeakPolarHBondContact CB-OG1 3.31Å; T705-T759 PolarHBondContact OG1-OG1 3.13Å; C706-T759 PolarHBondContact N-O 2.85Å; I757-T759 HydrophobicContact CG2-CG2 4Å; T759-I790 CarbonylContact C-O 3.03Å; T759-I790 VanDerWaalsContact CA-O 3.26Å; T759-I790 WeakPolarHBondContact CA-O 3.39Å; T759-I790 HydrophobicContact CG2-CG2 3.92Å; T759-Y1022 HydrophobicContact CG2-CD1 4.48Å; T759-Y1022 HydrophobicContact CG2-CE1 3.74Å; T759-L1025 HydrophobicContact CG2-CD1 3.85Å
760	T	97.6	Very high	97.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	169.4	162.2	-165.7	0	0	0	0	109.8	C706 F709 S762 Y765 A766 F789 I790 G791 I792	C706-T760 WeakPolarHBondContact O-CA 3.2Å; C706-T760 VanDerWaalsContact O-CB 3.3Å; C706-T760 WeakPolarHBondContact O-CB 3.45Å; C706-T760 PolarHBondContact O-OG1 3.21Å; F709-T760 HydrophobicContact CE2-CG2 4.26Å; T760-S762 PolarHBondContact O-N 3.47Å; T760-Y765 HydrophobicContact CG2-CD1 3.97Å; T760-Y765 VanDerWaalsContact OG1-CD1 3.27Å; T760-Y765 WeakPolarHBondContact OG1-CD1 3.38Å; T760-Y765 WeakPolarHBondContact OG1-CE1 3.45Å; T760-A766 HydrophobicContact CG2-CB 3.56Å; T760-F789 HydrophobicContact CG2-CE2 3.76Å; T760-F789 HydrophobicContact CG2-CZ 3.72Å; T760-I790 PolarHBondContact N-O 3.01Å; T760-G791 WeakPolarHBondContact O-CA 3.4Å; T760-I792 PolarHBondContact O-N 3.32Å
761	V	95.9	Very high	97.1	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.018	13%	0.127	C	C	.	.	S	Bend	trans	-88.3	7.8	-154.8	-68.1	0	0	0	0	115.5	T705 H707 I792 L793 N794 P930 C931	T705-V761 HydrophobicContact CG2-CG1 3.96Å; H707-V761 HydrophobicContact CB-CG1 4.4Å; H707-V761 WeakPolarHBondContact ND1-CG1 3.37Å; V761-I792 CarbonylContact C-O 3.57Å; V761-I792 VanDerWaalsContact CA-O 3.3Å; V761-I792 WeakPolarHBondContact CA-O 3.31Å; V761-I792 VanDerWaalsContact O-O 3.12Å; V761-L793 WeakPolarHBondContact O-CA 3.23Å; V761-N794 WeakPolarHBondContact CG1-OD1 3.22Å; V761-N794 PolarHBondContact O-N 2.83Å; V761-P930 HydrophobicContact CG2-CB 3.65Å; V761-C931 HydrophobicContact CB-CB 3.83Å; V761-C931 HydrophobicContact CG2-CB 3.72Å; V761-C931 VanDerWaalsContact O-CB 3.28Å; V761-C931 WeakPolarHBondContact O-CB 3.28Å; V761-C931 PolarHBondContact O-SG 2.86Å; V761-C931 VanDerWaalsContact O-SG 3.34Å
762	S	96.3	Very high	96.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.			trans	-157.7	154.7	162.6	103.9	0	0	0	0	113.2	T760 T764 Y765 A766 G791 P930 G952 D955	T760-S762 PolarHBondContact O-N 3.47Å; S762-T764 PolarHBondContact OG-N 2.84Å; S762-Y765 WeakPolarHBondContact OG-CB 3.28Å; S762-Y765 PolarHBondContact OG-N 2.93Å; S762-A766 WeakPolarHBondContact O-CB 3.35Å; S762-A766 PolarHBondContact O-N 3.47Å; S762-G791 WeakPolarHBondContact O-CA 3.31Å; S762-P930 VanDerWaalsContact CB-O 3.3Å; S762-P930 WeakPolarHBondContact CB-O 3.34Å; S762-P930 PolarHBondContact OG-O 2.94Å; S762-G952 VanDerWaalsContact CB-CA 3.41Å; S762-G952 WeakPolarHBondContact OG-CA 3.49Å; S762-G952 PolarHBondContact OG-N 3.2Å; S762-G952 VanDerWaalsContact OG-N 3.12Å; S762-D955 WeakPolarHBondContact CB-OD2 3.36Å; S762-D955 PolarHBondContact OG-OD2 2.83Å
763	P	96.4	Very high	96.3	Very high	51 Å²	51	36.5 Å²	36.5	33%	0.331	19%	0.192	S	C	.	.	H	α-helix	trans	-57.3	-48.5	172.1	-26.3	34.7	0	0	0	114.8	A766 Q767 D955	P763-A766 WeakPolarHBondContact O-CB 3.19Å; P763-A766 PolarHBondContact O-N 3.45Å; P763-Q767 PolarHBondContact O-N 2.95Å; P763-D955 WeakPolarHBondContact CD-OD2 3.33Å
764	T	96.5	Very high	95.8	Very high	20 Å²	20	36.3 Å²	36.3	12%	0.123	20%	0.197	C	C	.	.	H	α-helix	trans	-67.6	-42	179	-66.9	0	0	0	0	111.2	S762 A766 Q767 E768 G951 N954 D955	S762-T764 PolarHBondContact OG-N 2.84Å; T764-A766 VanDerWaalsContact C-N 3.26Å; T764-A766 PolarHBondContact O-N 2.88Å; T764-Q767 WeakPolarHBondContact O-CA 3.3Å; T764-Q767 WeakPolarHBondContact O-CB 3.33Å; T764-Q767 PolarHBondContact O-N 2.88Å; T764-E768 HydrophobicContact CG2-CG 4.35Å; T764-E768 PolarHBondContact O-N 3.13Å; T764-G951 WeakPolarHBondContact CB-O 3.16Å; T764-N954 HydrophobicContact CG2-CB 4.01Å; T764-N954 PolarHBondContact OG1-ND2 2.96Å; T764-D955 VanDerWaalsContact CB-OD1 3.32Å; T764-D955 WeakPolarHBondContact CB-OD1 3.27Å; T764-D955 VanDerWaalsContact CB-OD2 3.28Å; T764-D955 WeakPolarHBondContact CB-OD2 3.38Å; T764-D955 PolarHBondContact N-OD1 3.03Å; T764-D955 VanDerWaalsContact N-OD1 3.15Å; T764-D955 PolarHBondContact N-OD2 3.19Å; T764-D955 VanDerWaalsContact OG1-CG 3.31Å; T764-D955 PolarHBondContact OG1-OD1 3.43Å; T764-D955 PolarHBondContact OG1-OD2 2.57Å
765	Y	96.2	Very high	95.3	Very high	9 Å²	9	34.2 Å²	34.2	4%	0.035	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-37	176.1	-176.2	-118.4	0	0	0	111.3	N708 F709 T760 S762 Q767 E768 V769 P930	N708-Y765 PolarHBondContact OD1-OH 3.03Å; F709-Y765 AromaticContact CD2-CE1 3.75Å; F709-Y765 HydrophobicContact CD2-CE1 3.75Å; F709-Y765 HydrophobicContact CE2-CE1 4.23Å; F709-Y765 PolarHBondContact N-OH 2.68Å; T760-Y765 HydrophobicContact CG2-CD1 3.97Å; T760-Y765 VanDerWaalsContact OG1-CD1 3.27Å; T760-Y765 WeakPolarHBondContact OG1-CD1 3.38Å; T760-Y765 WeakPolarHBondContact OG1-CE1 3.45Å; S762-Y765 WeakPolarHBondContact OG-CB 3.28Å; S762-Y765 PolarHBondContact OG-N 2.93Å; Y765-Q767 PolarHBondContact O-N 3.24Å; Y765-E768 WeakPolarHBondContact CD2-OE2 3.41Å; Y765-E768 PolarHBondContact O-N 3.11Å; Y765-V769 HydrophobicContact CD1-CG1 4.4Å; Y765-V769 HydrophobicContact CD2-CG1 4.07Å; Y765-V769 HydrophobicContact CE1-CG1 3.99Å; Y765-V769 HydrophobicContact CE2-CG1 3.62Å; Y765-V769 HydrophobicContact CG-CG1 4.44Å; Y765-V769 WeakPolarHBondContact O-CG2 3.25Å; Y765-V769 PolarHBondContact O-N 2.8Å; Y765-P930 WeakPolarHBondContact CB-O 3.1Å; Y765-P930 HydrophobicContact CD1-CB 3.74Å; Y765-P930 HydrophobicContact CD2-CB 4.27Å; Y765-P930 HydrophobicContact CD2-CG 4.47Å; Y765-P930 HydrophobicContact CE1-CB 3.62Å; Y765-P930 HydrophobicContact CE1-CG 4.07Å; Y765-P930 HydrophobicContact CE2-CB 4.17Å; Y765-P930 HydrophobicContact CE2-CG 3.99Å; Y765-P930 HydrophobicContact CG-CB 4.07Å
766	A	97.1	Very high	94.9	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-19.6	171.8	0	0	0	0	0	114	T760 S762 P763 T764 R770 F789	T760-A766 HydrophobicContact CG2-CB 3.56Å; S762-A766 WeakPolarHBondContact O-CB 3.35Å; S762-A766 PolarHBondContact O-N 3.47Å; P763-A766 WeakPolarHBondContact O-CB 3.19Å; P763-A766 PolarHBondContact O-N 3.45Å; T764-A766 VanDerWaalsContact C-N 3.26Å; T764-A766 PolarHBondContact O-N 2.88Å; A766-R770 WeakPolarHBondContact O-CD 3.45Å; A766-R770 WeakPolarHBondContact O-CG 3.32Å; A766-R770 PolarHBondContact O-NH1 2.92Å; A766-F789 HydrophobicContact CB-CE1 4.33Å; A766-F789 HydrophobicContact CB-CZ 4.01Å
767	Q	96.2	Very high	94.7	Very high	127 Å²	127	38.5 Å²	38.5	59%	0.593	21%	0.212	S	C	*	.	H	α-helix	trans	-85.2	-47	169.3	-60.9	176.9	33.6	0	0	110.8	P763 T764 Y765 V769 R770	P763-Q767 PolarHBondContact O-N 2.95Å; T764-Q767 WeakPolarHBondContact O-CA 3.3Å; T764-Q767 WeakPolarHBondContact O-CB 3.33Å; T764-Q767 PolarHBondContact O-N 2.88Å; Y765-Q767 PolarHBondContact O-N 3.24Å; Q767-V769 VanDerWaalsContact C-N 3.29Å; Q767-V769 PolarHBondContact O-N 2.82Å; Q767-R770 WeakPolarHBondContact O-CB 3.2Å; Q767-R770 PolarHBondContact O-N 2.96Å
768	E	95.2	Very high	94.5	Very high	48 Å²	48	38.1 Å²	38.1	22%	0.224	21%	0.21	C	C	.	.	H	α-helix	trans	-51.8	-45.9	177.2	-69.6	175.6	160.1	0	0	111.3	T764 Y765 R770 T771 G774 T950 G951	T764-E768 HydrophobicContact CG2-CG 4.35Å; T764-E768 PolarHBondContact O-N 3.13Å; Y765-E768 WeakPolarHBondContact CD2-OE2 3.41Å; Y765-E768 PolarHBondContact O-N 3.11Å; E768-R770 VanDerWaalsContact C-N 3.27Å; E768-R770 PolarHBondContact O-N 3.13Å; E768-T771 WeakPolarHBondContact O-CB 3.48Å; E768-T771 PolarHBondContact O-N 3.26Å; E768-T771 VanDerWaalsContact O-N 3.13Å; E768-T771 PolarHBondContact O-OG1 3.02Å; E768-G774 WeakPolarHBondContact O-CA 3.25Å; E768-T950 WeakPolarHBondContact OE1-CA 3.3Å; E768-T950 PolarHBondContact OE1-OG1 2.84Å; E768-G951 VanDerWaalsContact CD-N 3.34Å; E768-G951 PolarHBondContact OE1-N 2.87Å; E768-G951 WeakPolarHBondContact OE2-CA 3.44Å; E768-G951 PolarHBondContact OE2-N 3.39Å
769	V	95.6	Very high	94.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-4.9	-179.4	-55.3	0	0	0	0	115.4	F709 Y765 Q767 G775 L782 F789	F709-V769 HydrophobicContact CB-CG1 4.39Å; F709-V769 HydrophobicContact CD2-CB 4.13Å; F709-V769 HydrophobicContact CD2-CG1 3.75Å; F709-V769 HydrophobicContact CD2-CG2 4.03Å; F709-V769 HydrophobicContact CE2-CB 4.42Å; F709-V769 HydrophobicContact CE2-CG1 4.37Å; F709-V769 HydrophobicContact CE2-CG2 3.83Å; F709-V769 HydrophobicContact CG-CG1 4.32Å; F709-V769 HydrophobicContact CZ-CG2 4.44Å; Y765-V769 HydrophobicContact CD1-CG1 4.4Å; Y765-V769 HydrophobicContact CD2-CG1 4.07Å; Y765-V769 HydrophobicContact CE1-CG1 3.99Å; Y765-V769 HydrophobicContact CE2-CG1 3.62Å; Y765-V769 HydrophobicContact CG-CG1 4.44Å; Y765-V769 WeakPolarHBondContact O-CG2 3.25Å; Y765-V769 PolarHBondContact O-N 2.8Å; Q767-V769 VanDerWaalsContact C-N 3.29Å; Q767-V769 PolarHBondContact O-N 2.82Å; V769-G775 WeakPolarHBondContact O-CA 3.48Å; V769-L782 HydrophobicContact CB-CD1 4.2Å; V769-L782 HydrophobicContact CG2-CD1 3.88Å; V769-L782 WeakPolarHBondContact O-CD1 3.44Å; V769-F789 HydrophobicContact CG2-CE1 3.94Å; V769-F789 HydrophobicContact CG2-CZ 3.69Å
770	R	95.7	Very high	94.3	Very high	67 Å²	67	43.2 Å²	43.2	25%	0.253	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-12	168.2	-72.5	174.7	169.3	111.8	-11.9	112.7	A766 Q767 E768 N783 F789	A766-R770 WeakPolarHBondContact O-CD 3.45Å; A766-R770 WeakPolarHBondContact O-CG 3.32Å; A766-R770 PolarHBondContact O-NH1 2.92Å; Q767-R770 WeakPolarHBondContact O-CB 3.2Å; Q767-R770 PolarHBondContact O-N 2.96Å; E768-R770 VanDerWaalsContact C-N 3.27Å; E768-R770 PolarHBondContact O-N 3.13Å; R770-N783 WeakPolarHBondContact CB-OD1 3.15Å; R770-N783 VanDerWaalsContact CG-OD1 3.28Å; R770-N783 WeakPolarHBondContact CG-OD1 3.44Å; R770-N783 PolarHBondContact O-ND2 3.3Å; R770-F789 HydrophobicContact CG-CD1 4.42Å; R770-F789 HydrophobicContact CG-CE1 4.11Å; R770-F789 VanDerWaalsContact CZ-CD1 3.43Å; R770-F789 PolarHBondContact NH2-O 2.95Å
771	T	94.2	Very high	94.3	Very high	67 Å²	67	43.9 Å²	43.9	41%	0.411	24%	0.243	S	C	.	.	S	Bend	trans	-81.8	158	171.9	75.5	0	0	0	0	111.4	E768 E773 G774 G775 H779	E768-T771 WeakPolarHBondContact O-CB 3.48Å; E768-T771 PolarHBondContact O-N 3.26Å; E768-T771 VanDerWaalsContact O-N 3.13Å; E768-T771 PolarHBondContact O-OG1 3.02Å; T771-E773 VanDerWaalsContact C-N 3.3Å; T771-E773 PolarHBondContact O-N 3.2Å; T771-G774 PolarHBondContact OG1-N 3.24Å; T771-G775 PolarHBondContact O-N 3.38Å; T771-H779 VanDerWaalsContact O-CB 3.23Å; T771-H779 WeakPolarHBondContact O-CB 3.39Å
772	A	91.5	Very high	94.3	Very high	69 Å²	69	43.7 Å²	43.7	57%	0.57	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-37	176.7	0	0	0	0	0	113
773	E	87.5	Confident	94.4	Very high	169 Å²	169	46.9 Å²	46.9	79%	0.79	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-47.2	-174.7	-60.9	175.1	-168.8	0	0	112.8	T771 K776	T771-E773 VanDerWaalsContact C-N 3.3Å; T771-E773 PolarHBondContact O-N 3.2Å; E773-K776 PolarHBondContact O-NZ 2.9Å; E773-K776 VanDerWaalsContact O-NZ 3.13Å
774	G	87.7	Confident	94.4	Very high	23 Å²	23	52.5 Å²	52.5	24%	0.237	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-38.1	179.5	0	0	0	0	0	112.6	E768 T771 K776	E768-G774 WeakPolarHBondContact O-CA 3.25Å; T771-G774 PolarHBondContact OG1-N 3.24Å; G774-K776 VanDerWaalsContact C-N 3.26Å; G774-K776 PolarHBondContact O-N 2.82Å; G774-K776 VanDerWaalsContact O-N 3.16Å
775	G	89.1	Confident	94.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	5.4	-170.9	0	0	0	0	0	116.9	V769 T771 G777 L778 H779	V769-G775 WeakPolarHBondContact O-CA 3.48Å; T771-G775 PolarHBondContact O-N 3.38Å; G775-G777 VanDerWaalsContact C-N 3.26Å; G775-G777 PolarHBondContact O-N 3.22Å; G775-L778 PolarHBondContact O-N 3.34Å; G775-H779 PolarHBondContact O-N 3.43Å
776	K	90.9	Very high	94.5	Very high	116 Å²	116	55.8 Å²	55.8	50%	0.504	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.3	47.8	172.9	-53	-49.5	176.2	-160.8	0	114.1	Q712 E773 G774 L778	Q712-K776 VanDerWaalsContact NE2-CB 3.32Å; Q712-K776 PolarHBondContact NE2-O 3.36Å; E773-K776 PolarHBondContact O-NZ 2.9Å; E773-K776 VanDerWaalsContact O-NZ 3.13Å; G774-K776 VanDerWaalsContact C-N 3.26Å; G774-K776 PolarHBondContact O-N 2.82Å; G774-K776 VanDerWaalsContact O-N 3.16Å; K776-L778 VanDerWaalsContact C-N 3.31Å; K776-L778 PolarHBondContact O-N 3.23Å
777	G	92.6	Very high	94.5	Very high	30 Å²	30	65 Å²	65	31%	0.309	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	-21.1	-178	0	0	0	0	0	116.7	G775	G775-G777 VanDerWaalsContact C-N 3.26Å; G775-G777 PolarHBondContact O-N 3.22Å
778	L	96.2	Very high	94.5	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	32%	0.321	C	S	.	.			trans	-83.9	-12	-179.3	-65.9	176.1	0	0	0	114.5	F709 Q712 V748 K749 I752 G775 K776 S780 T781 L782	F709-L778 HydrophobicContact CD1-CD1 3.98Å; Q712-L778 VanDerWaalsContact CD-CD1 3.41Å; Q712-L778 HydrophobicContact CG-CD1 3.88Å; V748-L778 HydrophobicContact CB-CD1 4.23Å; V748-L778 HydrophobicContact CG1-CD1 3.7Å; K749-L778 HydrophobicContact CB-CD2 3.72Å; K749-L778 HydrophobicContact CD-CD2 4.43Å; K749-L778 HydrophobicContact CG-CD2 4.07Å; I752-L778 HydrophobicContact CD1-CB 4.4Å; I752-L778 HydrophobicContact CD1-CD1 4.14Å; G775-L778 PolarHBondContact O-N 3.34Å; K776-L778 VanDerWaalsContact C-N 3.31Å; K776-L778 PolarHBondContact O-N 3.23Å; L778-S780 PolarHBondContact O-N 3.23Å; L778-S780 VanDerWaalsContact O-N 3.12Å; L778-T781 WeakPolarHBondContact O-CA 3.47Å; L778-T781 WeakPolarHBondContact O-CB 3.48Å; L778-T781 PolarHBondContact O-N 3.48Å; L778-L782 HydrophobicContact CB-CD1 4.35Å; L778-L782 PolarHBondContact O-N 3.25Å
779	H	95.9	Very high	94.7	Very high	55 Å²	55	59.2 Å²	59.2	26%	0.255	31%	0.311	S	S	.	.	H	α-helix	trans	-48.9	-39.6	-179.2	65.8	-85.5	0	0	0	113.9	T771 G775 T781 L782 N783	T771-H779 VanDerWaalsContact O-CB 3.23Å; T771-H779 WeakPolarHBondContact O-CB 3.39Å; G775-H779 PolarHBondContact O-N 3.43Å; H779-T781 PolarHBondContact O-N 3.28Å; H779-L782 PolarHBondContact O-N 2.96Å; H779-N783 VanDerWaalsContact O-CB 3.3Å; H779-N783 WeakPolarHBondContact O-CB 3.42Å; H779-N783 PolarHBondContact O-N 2.87Å; H779-N783 PolarHBondContact O-ND2 2.81Å; H779-N783 VanDerWaalsContact O-ND2 3.12Å
780	S	96	Very high	94.7	Very high	51 Å²	51	62.2 Å²	62.2	36%	0.357	33%	0.327	S	S	.	.	H	α-helix	trans	-60.3	-44.5	176.9	56.8	0	0	0	0	112.2	L778 F784	L778-S780 PolarHBondContact O-N 3.23Å; L778-S780 VanDerWaalsContact O-N 3.12Å; S780-F784 WeakPolarHBondContact O-CB 3.5Å; S780-F784 PolarHBondContact O-N 3.02Å
781	T	96.9	Very high	94.8	Very high	14 Å²	14	59.5 Å²	59.5	9%	0.086	32%	0.319	C	S	.	.	H	α-helix	trans	-71.9	-39.7	178.6	-55.4	0	0	0	0	111	K749 I752 I753 L778 H779 F784 H785	K749-T781 HydrophobicContact CG-CG2 4.14Å; I752-T781 HydrophobicContact CB-CG2 4.26Å; I752-T781 HydrophobicContact CG2-CG2 3.84Å; I753-T781 HydrophobicContact CD1-CG2 4.26Å; I753-T781 HydrophobicContact CG1-CG2 3.87Å; L778-T781 WeakPolarHBondContact O-CA 3.47Å; L778-T781 WeakPolarHBondContact O-CB 3.48Å; L778-T781 PolarHBondContact O-N 3.48Å; H779-T781 PolarHBondContact O-N 3.28Å; T781-F784 PolarHBondContact O-N 3.44Å; T781-H785 WeakPolarHBondContact O-CB 3.19Å; T781-H785 PolarHBondContact O-N 3.31Å
782	L	97.5	Very high	94.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.8	-35.7	175.6	-69.3	168.8	0	0	0	112.7	F709 I752 V769 L778 H779 H785 S786 F789	F709-L782 HydrophobicContact CD1-CD1 4.36Å; F709-L782 HydrophobicContact CE1-CD1 3.96Å; F709-L782 HydrophobicContact CE1-CD2 4.01Å; F709-L782 HydrophobicContact CZ-CD1 4.14Å; F709-L782 HydrophobicContact CZ-CD2 4.04Å; I752-L782 HydrophobicContact CD1-CD2 3.68Å; I752-L782 HydrophobicContact CD1-CG 4.05Å; I752-L782 HydrophobicContact CG1-CD2 3.91Å; I752-L782 HydrophobicContact CG2-CD2 3.91Å; V769-L782 HydrophobicContact CB-CD1 4.2Å; V769-L782 HydrophobicContact CG2-CD1 3.88Å; V769-L782 WeakPolarHBondContact O-CD1 3.44Å; L778-L782 HydrophobicContact CB-CD1 4.35Å; L778-L782 PolarHBondContact O-N 3.25Å; H779-L782 PolarHBondContact O-N 2.96Å; L782-H785 CarbonylContact O-C 3.52Å; L782-S786 VanDerWaalsContact O-CA 3.31Å; L782-S786 WeakPolarHBondContact O-CA 3.41Å; L782-S786 PolarHBondContact O-N 2.95Å; L782-F789 HydrophobicContact CB-CD1 4.12Å; L782-F789 HydrophobicContact CB-CE1 4.26Å; L782-F789 HydrophobicContact CD1-CE1 4.3Å; L782-F789 HydrophobicContact CD2-CD1 3.88Å; L782-F789 HydrophobicContact CD2-CD2 4.19Å; L782-F789 HydrophobicContact CD2-CE1 3.92Å; L782-F789 HydrophobicContact CD2-CE2 4.21Å; L782-F789 HydrophobicContact CD2-CG 4.05Å; L782-F789 HydrophobicContact CD2-CZ 4.08Å; L782-F789 HydrophobicContact CG-CE1 4.39Å
783	N	97.3	Very high	95.1	Very high	67 Å²	67	54.9 Å²	54.9	36%	0.358	28%	0.283	S	S	.	.	H	α-helix	trans	-73.5	-41.3	175.7	-73	-30.5	0	0	0	111.7	R770 H779 H785 S786	R770-N783 WeakPolarHBondContact CB-OD1 3.15Å; R770-N783 VanDerWaalsContact CG-OD1 3.28Å; R770-N783 WeakPolarHBondContact CG-OD1 3.44Å; R770-N783 PolarHBondContact O-ND2 3.3Å; H779-N783 VanDerWaalsContact O-CB 3.3Å; H779-N783 WeakPolarHBondContact O-CB 3.42Å; H779-N783 PolarHBondContact O-N 2.87Å; H779-N783 PolarHBondContact O-ND2 2.81Å; H779-N783 VanDerWaalsContact O-ND2 3.12Å; N783-H785 VanDerWaalsContact C-N 3.28Å; N783-H785 PolarHBondContact O-N 2.94Å; N783-S786 WeakPolarHBondContact O-CB 3.35Å; N783-S786 PolarHBondContact O-N 3.05Å; N783-S786 PolarHBondContact O-OG 3.34Å
784	F	97.2	Very high	95.4	Very high	169 Å²	169	47.3 Å²	47.3	74%	0.741	25%	0.248	S	C	*	.	H	α-helix	trans	-60.6	-36.8	172.3	-173.6	-101.8	0	0	0	112.4	S780 T781	S780-F784 WeakPolarHBondContact O-CB 3.5Å; S780-F784 PolarHBondContact O-N 3.02Å; T781-F784 PolarHBondContact O-N 3.44Å
785	H	97.3	Very high	95.6	Very high	39 Å²	39	46.4 Å²	46.4	18%	0.181	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	16.8	176.1	-70.7	-48	0	0	0	114.7	I752 T781 L782 N783 K787 K788 F789	I752-H785 HydrophobicContact CG2-CB 4.19Å; T781-H785 WeakPolarHBondContact O-CB 3.19Å; T781-H785 PolarHBondContact O-N 3.31Å; L782-H785 CarbonylContact O-C 3.52Å; N783-H785 VanDerWaalsContact C-N 3.28Å; N783-H785 PolarHBondContact O-N 2.94Å; H785-K787 VanDerWaalsContact C-N 3.26Å; H785-K787 PolarHBondContact O-N 3.18Å; H785-K787 VanDerWaalsContact O-N 3.07Å; H785-K788 HydrophobicContact CB-CG 4.21Å; H785-K788 VanDerWaalsContact O-CG 3.24Å; H785-K788 WeakPolarHBondContact O-CG 3.45Å; H785-K788 PolarHBondContact O-N 3.29Å; H785-F789 PolarHBondContact O-N 2.95Å
786	S	96.4	Very high	95.7	Very high	58 Å²	58	46.7 Å²	46.7	41%	0.406	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-49.4	-39.4	-174.6	48.9	0	0	0	0	114.8	L782 N783 K788 F789	L782-S786 VanDerWaalsContact O-CA 3.31Å; L782-S786 WeakPolarHBondContact O-CA 3.41Å; L782-S786 PolarHBondContact O-N 2.95Å; N783-S786 WeakPolarHBondContact O-CB 3.35Å; N783-S786 PolarHBondContact O-N 3.05Å; N783-S786 PolarHBondContact O-OG 3.34Å; S786-K788 PolarHBondContact O-N 2.99Å; S786-K788 VanDerWaalsContact O-N 3.11Å; S786-F789 PolarHBondContact O-N 3.47Å
787	K	96.8	Very high	95.4	Very high	194 Å²	194	42.2 Å²	42.2	84%	0.843	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-60.9	-17.8	179.3	-173.5	171.6	-179.2	176.1	0	114.9	H785	H785-K787 VanDerWaalsContact C-N 3.26Å; H785-K787 PolarHBondContact O-N 3.18Å; H785-K787 VanDerWaalsContact O-N 3.07Å
788	K	97.3	Very high	95.3	Very high	47 Å²	47	41.9 Å²	41.9	20%	0.204	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-116.8	5.2	174.7	65	169.7	-175.8	176.1	0	113.8	I752 I753 S755 N756 V758 H785 S786	I752-K788 WeakPolarHBondContact O-CE 3.29Å; I752-K788 PolarHBondContact O-NZ 2.68Å; I753-K788 PolarHBondContact O-NZ 3.34Å; S755-K788 WeakPolarHBondContact O-CD 3.34Å; S755-K788 WeakPolarHBondContact O-CE 3.4Å; S755-K788 PolarHBondContact O-NZ 3.39Å; N756-K788 WeakPolarHBondContact O-CB 3.43Å; V758-K788 HydrophobicContact CG2-CD 4.21Å; V758-K788 HydrophobicContact CG2-CG 4.34Å; V758-K788 PolarHBondContact N-O 3.34Å; V758-K788 VanDerWaalsContact O-O 3.06Å; H785-K788 HydrophobicContact CB-CG 4.21Å; H785-K788 VanDerWaalsContact O-CG 3.24Å; H785-K788 WeakPolarHBondContact O-CG 3.45Å; H785-K788 PolarHBondContact O-N 3.29Å; S786-K788 PolarHBondContact O-N 2.99Å; S786-K788 VanDerWaalsContact O-N 3.11Å
789	F	98.3	Very high	94.8	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.1	-179.5	177.6	-132.8	0	0	0	111.6	F709 V758 T760 A766 V769 R770 L782 H785 S786	F709-F789 HydrophobicContact CE2-CE2 4.48Å; F709-F789 HydrophobicContact CE2-CZ 4.27Å; F709-F789 HydrophobicContact CZ-CE2 4.12Å; F709-F789 HydrophobicContact CZ-CZ 4.14Å; V758-F789 HydrophobicContact CB-CB 4.36Å; V758-F789 HydrophobicContact CB-CD2 4.14Å; V758-F789 HydrophobicContact CG1-CD2 3.72Å; V758-F789 HydrophobicContact CG1-CE2 4.36Å; V758-F789 HydrophobicContact CG1-CG 4.48Å; V758-F789 VanDerWaalsContact O-CA 3.31Å; V758-F789 WeakPolarHBondContact O-CA 3.24Å; T760-F789 HydrophobicContact CG2-CE2 3.76Å; T760-F789 HydrophobicContact CG2-CZ 3.72Å; A766-F789 HydrophobicContact CB-CE1 4.33Å; A766-F789 HydrophobicContact CB-CZ 4.01Å; V769-F789 HydrophobicContact CG2-CE1 3.94Å; V769-F789 HydrophobicContact CG2-CZ 3.69Å; R770-F789 HydrophobicContact CG-CD1 4.42Å; R770-F789 HydrophobicContact CG-CE1 4.11Å; R770-F789 VanDerWaalsContact CZ-CD1 3.43Å; R770-F789 PolarHBondContact NH2-O 2.95Å; L782-F789 HydrophobicContact CB-CD1 4.12Å; L782-F789 HydrophobicContact CB-CE1 4.26Å; L782-F789 HydrophobicContact CD1-CE1 4.3Å; L782-F789 HydrophobicContact CD2-CD1 3.88Å; L782-F789 HydrophobicContact CD2-CD2 4.19Å; L782-F789 HydrophobicContact CD2-CE1 3.92Å; L782-F789 HydrophobicContact CD2-CE2 4.21Å; L782-F789 HydrophobicContact CD2-CG 4.05Å; L782-F789 HydrophobicContact CD2-CZ 4.08Å; L782-F789 HydrophobicContact CG-CE1 4.39Å; H785-F789 PolarHBondContact O-N 2.95Å; S786-F789 PolarHBondContact O-N 3.47Å
790	I	97.4	Very high	94.1	Very high	64 Å²	64	45.9 Å²	45.9	33%	0.328	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	149	-176.7	-173.9	167.8	0	0	0	111.3	V758 T759 T760 L1025	V758-I790 PolarHBondContact O-N 2.88Å; V758-I790 VanDerWaalsContact O-N 3.11Å; T759-I790 CarbonylContact C-O 3.03Å; T759-I790 VanDerWaalsContact CA-O 3.26Å; T759-I790 WeakPolarHBondContact CA-O 3.39Å; T759-I790 HydrophobicContact CG2-CG2 3.92Å; T760-I790 PolarHBondContact N-O 3.01Å; I790-L1025 HydrophobicContact CG2-CD1 3.65Å; I790-L1025 HydrophobicContact CG2-CD2 4.32Å
791	G	97.4	Very high	93.8	Very high	9 Å²	9	45.1 Å²	45.1	9%	0.093	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.8	168.9	0	0	0	0	0	110	T760 S762	T760-G791 WeakPolarHBondContact O-CA 3.4Å; S762-G791 WeakPolarHBondContact O-CA 3.31Å
792	I	96.6	Very high	93.8	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.			trans	-121.3	125.1	171.3	-63.8	173.3	0	0	0	106.5	T760 V761 Q1021 Y1022 L1025	T760-I792 PolarHBondContact O-N 3.32Å; V761-I792 CarbonylContact C-O 3.57Å; V761-I792 VanDerWaalsContact CA-O 3.3Å; V761-I792 WeakPolarHBondContact CA-O 3.31Å; V761-I792 VanDerWaalsContact O-O 3.12Å; I792-Q1021 HydrophobicContact CD1-CB 3.8Å; I792-Q1021 HydrophobicContact CG1-CB 4.27Å; I792-Q1021 HydrophobicContact CG2-CB 4.33Å; I792-Y1022 HydrophobicContact CB-CE2 3.96Å; I792-Y1022 HydrophobicContact CD1-CD1 4.23Å; I792-Y1022 HydrophobicContact CD1-CD2 3.94Å; I792-Y1022 HydrophobicContact CD1-CE1 4.23Å; I792-Y1022 HydrophobicContact CD1-CE2 3.91Å; I792-Y1022 HydrophobicContact CD1-CG 4.08Å; I792-Y1022 HydrophobicContact CG2-CD2 4.13Å; I792-Y1022 HydrophobicContact CG2-CE2 3.72Å; I792-L1025 HydrophobicContact CD1-CD1 3.67Å
793	L	96	Very high	93.8	Very high	40 Å²	40	46.2 Å²	46.2	21%	0.209	24%	0.235	C	C	.	.			trans	-66	135.2	177.6	-171.6	65.8	0	0	0	109.9	V761 M936 D955 S1018	V761-L793 WeakPolarHBondContact O-CA 3.23Å; L793-M936 HydrophobicContact CD1-CE 3.84Å; L793-M936 HydrophobicContact CD2-CE 3.89Å; L793-M936 HydrophobicContact CG-CE 3.74Å; L793-D955 HydrophobicContact CD1-CB 4.07Å; L793-D955 HydrophobicContact CD2-CB 4.4Å; L793-S1018 VanDerWaalsContact O-CB 3.25Å; L793-S1018 WeakPolarHBondContact O-CB 3.36Å; L793-S1018 PolarHBondContact O-OG 2.87Å
794	N	93.2	Very high	93.9	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.053	23%	0.227	C	C	.	.			trans	-68.1	152.2	175	-63.7	-24.2	0	0	0	111.3	V563 V761 L933 M936 W1015	V563-N794 HydrophobicContact CG2-CB 4.3Å; V563-N794 VanDerWaalsContact CG2-ND2 3.26Å; V563-N794 WeakPolarHBondContact CG2-ND2 3.47Å; V761-N794 WeakPolarHBondContact CG1-OD1 3.22Å; V761-N794 PolarHBondContact O-N 2.83Å; N794-L933 HydrophobicContact CB-CD2 3.91Å; N794-M936 WeakPolarHBondContact O-CE 3.25Å; N794-W1015 HydrophobicContact CB-CH2 3.64Å; N794-W1015 HydrophobicContact CB-CZ2 3.82Å
795	G	91.7	Very high	93.8	Very high	3 Å²	3	38.7 Å²	38.7	3%	0.031	21%	0.208	C	C	.	.			trans	-89.8	177.6	158.5	0	0	0	0	0	111.8	F1013 W1015	G795-F1013 CarbonylContact C-O 3.45Å; G795-F1013 WeakPolarHBondContact CA-O 3.5Å; G795-W1015 VanDerWaalsContact C-NE1 3.34Å; G795-W1015 VanDerWaalsContact O-CE2 3.26Å; G795-W1015 VanDerWaalsContact O-CZ2 3.28Å; G795-W1015 WeakPolarHBondContact O-CZ2 3.24Å; G795-W1015 PolarHBondContact O-NE1 3.41Å; G795-W1015 VanDerWaalsContact O-NE1 3.13Å
796	I	90.4	Very high	93.8	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.031	20%	0.2	C	C	.	.			trans	-108.7	164	162.4	65.3	176.1	0	0	0	110.4	T798 W801 L933 M936 I937 R940 F1013 W1015	I796-T798 HydrophobicContact CG1-CG2 4.06Å; I796-T798 PolarHBondContact O-N 2.99Å; I796-T798 VanDerWaalsContact O-N 3.15Å; I796-W801 HydrophobicContact CD1-CB 4.23Å; I796-L933 HydrophobicContact CG2-CB 4.26Å; I796-L933 HydrophobicContact CG2-CD2 4.25Å; I796-M936 HydrophobicContact CD1-CB 4.27Å; I796-M936 HydrophobicContact CG2-CB 3.75Å; I796-M936 HydrophobicContact CG2-SD 4.02Å; I796-I937 HydrophobicContact CD1-CG1 4.12Å; I796-I937 HydrophobicContact CG2-CG1 4.22Å; I796-R940 HydrophobicContact CD1-CB 4.18Å; I796-R940 HydrophobicContact CD1-CG 4.29Å; I796-F1013 HydrophobicContact CD1-CB 4.02Å; I796-F1013 HydrophobicContact CG1-CB 3.84Å; I796-F1013 PolarHBondContact N-O 2.86Å; I796-W1015 VanDerWaalsContact O-CD1 3.31Å
797	D	85	Confident	93.7	Very high	23 Å²	23	39.5 Å²	39.5	12%	0.123	22%	0.215	C	C	.	.			trans	-76.2	96.3	168	-167.6	-66.7	0	0	0	109	K569 D799 S800 W801	K569-D797 WeakPolarHBondContact CE-OD2 3.48Å; K569-D797 IonicContact NZ-OD2 2.63Å; K569-D797 PolarHBondContact NZ-OD2 3.26Å; D797-D799 PolarHBondContact O-N 3.14Å; D797-D799 PolarHBondContact OD1-N 2.7Å; D797-S800 PolarHBondContact O-N 2.91Å; D797-S800 VanDerWaalsContact OD1-CB 3.27Å; D797-S800 WeakPolarHBondContact OD1-CB 3.03Å; D797-S800 PolarHBondContact OD1-N 2.98Å; D797-S800 PolarHBondContact OD1-OG 3.43Å; D797-W801 WeakPolarHBondContact O-CB 3.35Å; D797-W801 PolarHBondContact O-N 3.26Å
798	T	89.8	Confident	93.6	Very high	22 Å²	22	34.3 Å²	34.3	14%	0.135	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-6.7	-176.3	44	0	0	0	0	114.4	I796 N802 R940	I796-T798 HydrophobicContact CG1-CG2 4.06Å; I796-T798 PolarHBondContact O-N 2.99Å; I796-T798 VanDerWaalsContact O-N 3.15Å; T798-N802 WeakPolarHBondContact O-CB 3.3Å; T798-R940 PolarHBondContact O-NH2 2.88Å; T798-R940 VanDerWaalsContact O-NH2 3.11Å
799	D	85.7	Confident	93.6	Very high	86 Å²	86	32.9 Å²	32.9	46%	0.46	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-42.5	179.6	-45.6	-37.9	0	0	0	108.7	R573 D797	R573-D799 IonicContact CZ-OD2 3.82Å; R573-D799 IonicContact NH1-OD2 3.81Å; R573-D799 PolarHBondContact NH1-OD2 3.27Å; R573-D799 IonicContact NH2-OD2 3.91Å; D797-D799 PolarHBondContact O-N 3.14Å; D797-D799 PolarHBondContact OD1-N 2.7Å
800	S	81.9	Confident	93.5	Very high	55 Å²	55	38.7 Å²	38.7	39%	0.385	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-37.3	173.9	-49.3	0	0	0	0	113.1	D797	D797-S800 PolarHBondContact O-N 2.91Å; D797-S800 VanDerWaalsContact OD1-CB 3.27Å; D797-S800 WeakPolarHBondContact OD1-CB 3.03Å; D797-S800 PolarHBondContact OD1-N 2.98Å; D797-S800 PolarHBondContact OD1-OG 3.43Å
801	W	90.5	Very high	93.5	Very high	35 Å²	35	36.5 Å²	36.5	13%	0.133	20%	0.204	C	C	.	.	S	Bend	trans	-101.8	69	179.1	-64.7	98.2	0	0	0	110	I796 D797 H913 Y916 I937 R940 Y941	I796-W801 HydrophobicContact CD1-CB 4.23Å; D797-W801 WeakPolarHBondContact O-CB 3.35Å; D797-W801 PolarHBondContact O-N 3.26Å; W801-H913 AromaticContact CE3-CE1 3.61Å; W801-H913 AromaticContact CE3-ND1 3.87Å; W801-H913 AromaticContact CH2-CD2 3.66Å; W801-H913 AromaticContact CH2-CE1 3.79Å; W801-H913 AromaticContact CH2-NE2 3.33Å; W801-H913 VanDerWaalsContact CH2-NE2 3.33Å; W801-H913 WeakPolarHBondContact CH2-NE2 3.22Å; W801-H913 AromaticContact CZ2-NE2 3.89Å; W801-H913 AromaticContact CZ3-CD2 3.6Å; W801-H913 AromaticContact CZ3-CE1 3.42Å; W801-H913 VanDerWaalsContact CZ3-CE1 3.42Å; W801-H913 WeakPolarHBondContact CZ3-CE1 3.34Å; W801-H913 AromaticContact CZ3-CG 3.73Å; W801-H913 AromaticContact CZ3-ND1 3.62Å; W801-H913 AromaticContact CZ3-NE2 3.41Å; W801-H913 WeakPolarHBondContact CZ3-NE2 3.22Å; W801-Y916 HydrophobicContact CH2-CE2 4.2Å; W801-Y916 AromaticContact CZ3-CD2 3.84Å; W801-Y916 HydrophobicContact CZ3-CD2 3.84Å; W801-Y916 AromaticContact CZ3-CE2 3.9Å; W801-Y916 HydrophobicContact CZ3-CE2 3.9Å; W801-I937 HydrophobicContact CD2-CD1 3.89Å; W801-I937 HydrophobicContact CD2-CG1 3.97Å; W801-I937 HydrophobicContact CD2-CG2 3.88Å; W801-I937 HydrophobicContact CE3-CB 4.46Å; W801-I937 HydrophobicContact CE3-CD1 4.24Å; W801-I937 HydrophobicContact CE3-CG1 4.28Å; W801-I937 HydrophobicContact CE3-CG2 3.33Å; W801-I937 HydrophobicContact CG-CD1 4.39Å; W801-I937 HydrophobicContact CG-CG1 4.12Å; W801-I937 HydrophobicContact CG-CG2 4.49Å; W801-I937 HydrophobicContact CH2-CD1 4.3Å; W801-I937 HydrophobicContact CZ2-CD1 3.95Å; W801-I937 HydrophobicContact CZ3-CD1 4.43Å; W801-I937 HydrophobicContact CZ3-CG2 3.73Å; W801-R940 WeakPolarHBondContact O-CG 3.31Å; W801-R940 PolarHBondContact O-NE 2.99Å; W801-R940 VanDerWaalsContact O-NE 3.15Å; W801-Y941 WeakPolarHBondContact CA-OH 3.14Å; W801-Y941 HydrophobicContact CB-CE2 4.03Å; W801-Y941 HydrophobicContact CE3-CE2 4.03Å
802	N	96.3	Very high	93.6	Very high	33 Å²	33	38.6 Å²	38.6	18%	0.176	21%	0.212	C	C	.	.			trans	-130.7	105.1	-176.7	-173.5	25.8	0	0	0	111.8	T798 A804 T805 D806 R940 Y941	T798-N802 WeakPolarHBondContact O-CB 3.3Å; N802-A804 PolarHBondContact O-N 3.37Å; N802-T805 PolarHBondContact ND2-OG1 3.42Å; N802-T805 CarbonylContact O-C 3.35Å; N802-T805 PolarHBondContact O-N 2.68Å; N802-D806 VanDerWaalsContact O-CB 3.27Å; N802-D806 WeakPolarHBondContact O-CB 3.06Å; N802-D806 PolarHBondContact O-N 2.76Å; N802-R940 PolarHBondContact OD1-NH2 3.38Å; N802-Y941 PolarHBondContact N-OH 3.44Å
803	P	98.1	Very high	93.7	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.019	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-7.3	-177.5	26.8	-35.6	0	0	0	114.9	L809 Q812 F813 R940 Y941 M1009	P803-L809 HydrophobicContact CB-CD1 4.23Å; P803-Q812 CarbonylContact O-C 3.56Å; P803-Q812 VanDerWaalsContact O-CA 3.29Å; P803-Q812 WeakPolarHBondContact O-CA 3.38Å; P803-Q812 PolarHBondContact O-OE1 2.98Å; P803-F813 CarbonylContact C-O 3.53Å; P803-F813 HydrophobicContact CB-CD1 3.77Å; P803-F813 HydrophobicContact CB-CD2 4.28Å; P803-F813 HydrophobicContact CB-CE1 3.42Å; P803-F813 VanDerWaalsContact CB-CE1 3.42Å; P803-F813 HydrophobicContact CB-CE2 3.97Å; P803-F813 HydrophobicContact CB-CG 4.18Å; P803-F813 HydrophobicContact CB-CZ 3.53Å; P803-F813 HydrophobicContact CG-CE2 4.32Å; P803-F813 HydrophobicContact CG-CZ 4.25Å; P803-F813 PolarHBondContact O-N 3.07Å; P803-R940 WeakPolarHBondContact CG-O 3.28Å; P803-Y941 HydrophobicContact CB-CD1 4.06Å; P803-Y941 HydrophobicContact CB-CE1 4.2Å; P803-Y941 HydrophobicContact CB-CG 4.38Å; P803-M1009 HydrophobicContact CG-CE 3.78Å
804	A	98	Very high	93.8	Very high	23 Å²	23	40.1 Å²	40.1	19%	0.19	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-16.1	174.5	0	0	0	0	0	114	N802 Q812 F813 N814	N802-A804 PolarHBondContact O-N 3.37Å; A804-Q812 VanDerWaalsContact C-OE1 3.23Å; A804-F813 WeakPolarHBondContact CA-O 3.37Å; A804-F813 PolarHBondContact N-O 3.4Å; A804-N814 HydrophobicContact CB-CB 4.3Å
805	T	96.5	Very high	93.9	Very high	55 Å²	55	40.6 Å²	40.6	34%	0.337	23%	0.225	S	C	.	.	S	Bend	trans	-143.1	23.3	-175.6	63	0	0	0	0	112.8	N802 P807 Q812	N802-T805 PolarHBondContact ND2-OG1 3.42Å; N802-T805 CarbonylContact O-C 3.35Å; N802-T805 PolarHBondContact O-N 2.68Å; T805-P807 WeakPolarHBondContact O-CD 3.37Å; T805-Q812 VanDerWaalsContact N-OE1 3.14Å
806	D	96.2	Very high	94.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	26%	0.258	C	S	.	.			trans	-87.3	111	-174.2	177.5	-13.4	0	0	0	110.5	N802 F808 L809 Q812 H913 Y941	N802-D806 VanDerWaalsContact O-CB 3.27Å; N802-D806 WeakPolarHBondContact O-CB 3.06Å; N802-D806 PolarHBondContact O-N 2.76Å; D806-F808 PolarHBondContact O-N 2.63Å; D806-F808 VanDerWaalsContact O-N 3.08Å; D806-F808 WeakPolarHBondContact OD1-CB 3.36Å; D806-F808 WeakPolarHBondContact OD1-CD2 3.38Å; D806-F808 PolarHBondContact OD1-N 2.82Å; D806-L809 HydrophobicContact CB-CD1 3.94Å; D806-L809 HydrophobicContact CB-CG 3.82Å; D806-L809 PolarHBondContact O-N 3.2Å; D806-L809 VanDerWaalsContact O-N 3.16Å; D806-Q812 PolarHBondContact O-NE2 2.93Å; D806-H913 VanDerWaalsContact CG-ND1 3.3Å; D806-H913 IonicContact OD1-CE1 2.7Å; D806-H913 IonicContact OD1-CG 2.76Å; D806-H913 IonicContact OD1-ND1 3.42Å; D806-H913 PolarHBondContact OD1-ND1 3.43Å; D806-H913 IonicContact OD2-CE1 3.33Å; D806-H913 IonicContact OD2-CG 3.81Å; D806-H913 IonicContact OD2-ND1 3.16Å; D806-H913 PolarHBondContact OD2-ND1 3.4Å; D806-Y941 VanDerWaalsContact OD2-CE1 3.24Å; D806-Y941 WeakPolarHBondContact OD2-CE1 3.37Å; D806-Y941 VanDerWaalsContact OD2-CZ 3.32Å; D806-Y941 PolarHBondContact OD2-OH 3.04Å
807	P	94.4	Very high	94.4	Very high	113 Å²	113	51.8 Å²	51.8	73%	0.734	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-6.1	-173.3	31.5	-37.4	0	0	0	113.9	T805	T805-P807 WeakPolarHBondContact O-CD 3.37Å
808	F	94.7	Very high	94.9	Very high	86 Å²	86	52.6 Å²	52.6	38%	0.377	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-11	175.4	-59	-69.4	0	0	0	113.4	D806 A910 H913 T914	D806-F808 PolarHBondContact O-N 2.63Å; D806-F808 VanDerWaalsContact O-N 3.08Å; D806-F808 WeakPolarHBondContact OD1-CB 3.36Å; D806-F808 WeakPolarHBondContact OD1-CD2 3.38Å; D806-F808 PolarHBondContact OD1-N 2.82Å; F808-A910 HydrophobicContact CB-CB 4.48Å; F808-A910 HydrophobicContact CD1-CB 3.52Å; F808-A910 HydrophobicContact CE1-CB 4Å; F808-A910 HydrophobicContact CG-CB 4.21Å; F808-H913 HydrophobicContact CB-CB 3.72Å; F808-H913 HydrophobicContact CD2-CB 4.21Å; F808-H913 AromaticContact CD2-CD2 3.6Å; F808-H913 AromaticContact CD2-CE1 3.72Å; F808-H913 AromaticContact CD2-CG 3.6Å; F808-H913 AromaticContact CD2-ND1 3.67Å; F808-H913 AromaticContact CD2-NE2 3.69Å; F808-H913 AromaticContact CE2-NE2 3.76Å; F808-H913 HydrophobicContact CG-CB 4.31Å; F808-T914 WeakPolarHBondContact O-CG2 3.43Å
809	L	97.6	Very high	95.2	Very high	16 Å²	16	56.8 Å²	56.8	8%	0.084	30%	0.299	C	S	.	.			trans	-84.5	150.9	-179.8	-57.8	-171.9	0	0	0	112.7	P803 D806 F813 H913 T914 A917 Y941	P803-L809 HydrophobicContact CB-CD1 4.23Å; D806-L809 HydrophobicContact CB-CD1 3.94Å; D806-L809 HydrophobicContact CB-CG 3.82Å; D806-L809 PolarHBondContact O-N 3.2Å; D806-L809 VanDerWaalsContact O-N 3.16Å; L809-F813 HydrophobicContact CD1-CD1 4.28Å; L809-F813 HydrophobicContact CD1-CE1 3.93Å; L809-H913 HydrophobicContact CD2-CB 4.43Å; L809-T914 HydrophobicContact CD2-CG2 4.3Å; L809-A917 HydrophobicContact CD1-CB 4.01Å; L809-A917 HydrophobicContact CD2-CB 3.49Å; L809-A917 VanDerWaalsContact CD2-CB 3.49Å; L809-A917 HydrophobicContact CG-CB 4.39Å; L809-Y941 HydrophobicContact CD1-CE1 4.11Å; L809-Y941 HydrophobicContact CD2-CE1 4.45Å
810	K	96.5	Very high	95.8	Very high	129 Å²	129	52.9 Å²	52.9	56%	0.561	28%	0.279	S	S	*	.	S	Bend	trans	-77.1	-33.1	173.5	-175.5	-153.8	148.9	-76.3	0	111.4	E823 N824 A827	K810-E823 IonicContact NZ-OE2 2.67Å; K810-E823 PolarHBondContact NZ-OE2 3.01Å; K810-N824 PolarHBondContact N-OD1 3.11Å; K810-A827 HydrophobicContact CB-CB 4.36Å; K810-A827 HydrophobicContact CD-CB 3.52Å; K810-A827 HydrophobicContact CG-CB 4.48Å
811	A	97.9	Very high	96.6	Very high	18 Å²	18	51 Å²	51	15%	0.149	26%	0.263	C	S	.	.	S	Bend	trans	-137.2	136.1	177.8	0	0	0	0	0	108.5	E823 N824	A811-E823 HydrophobicContact CB-CB 4.02Å; A811-N824 PolarHBondContact N-OD1 3.02Å; A811-N824 PolarHBondContact O-ND2 2.68Å
812	Q	98.3	Very high	96.8	Very high	54 Å²	54	53.2 Å²	53.2	25%	0.252	28%	0.275	S	S	.	.			trans	-78.6	153	171.2	-54.6	-53.6	-39.8	0	0	109.6	P803 A804 T805 D806	P803-Q812 CarbonylContact O-C 3.56Å; P803-Q812 VanDerWaalsContact O-CA 3.29Å; P803-Q812 WeakPolarHBondContact O-CA 3.38Å; P803-Q812 PolarHBondContact O-OE1 2.98Å; A804-Q812 VanDerWaalsContact C-OE1 3.23Å; T805-Q812 VanDerWaalsContact N-OE1 3.14Å; D806-Q812 PolarHBondContact O-NE2 2.93Å
813	F	98.6	Very high	96.9	Very high	2 Å²	2	55 Å²	55	1%	0.009	28%	0.283	C	S	.	.			trans	-155.9	162.1	176.8	71.4	-80.5	0	0	0	110.8	P803 A804 L809 D817 K821 A917 Y941 M1009	P803-F813 CarbonylContact C-O 3.53Å; P803-F813 HydrophobicContact CB-CD1 3.77Å; P803-F813 HydrophobicContact CB-CD2 4.28Å; P803-F813 HydrophobicContact CB-CE1 3.42Å; P803-F813 VanDerWaalsContact CB-CE1 3.42Å; P803-F813 HydrophobicContact CB-CE2 3.97Å; P803-F813 HydrophobicContact CB-CG 4.18Å; P803-F813 HydrophobicContact CB-CZ 3.53Å; P803-F813 HydrophobicContact CG-CE2 4.32Å; P803-F813 HydrophobicContact CG-CZ 4.25Å; P803-F813 PolarHBondContact O-N 3.07Å; A804-F813 WeakPolarHBondContact CA-O 3.37Å; A804-F813 PolarHBondContact N-O 3.4Å; L809-F813 HydrophobicContact CD1-CD1 4.28Å; L809-F813 HydrophobicContact CD1-CE1 3.93Å; F813-D817 WeakPolarHBondContact CB-O 3.43Å; F813-K821 HydrophobicContact CD1-CB 4.45Å; F813-K821 HydrophobicContact CD2-CB 3.8Å; F813-K821 HydrophobicContact CD2-CG 4.35Å; F813-K821 HydrophobicContact CE1-CB 4.5Å; F813-K821 HydrophobicContact CE2-CB 3.86Å; F813-K821 HydrophobicContact CE2-CD 3.96Å; F813-K821 HydrophobicContact CE2-CG 3.88Å; F813-K821 HydrophobicContact CG-CB 4.11Å; F813-K821 HydrophobicContact CZ-CB 4.22Å; F813-K821 HydrophobicContact CZ-CD 4.4Å; F813-K821 HydrophobicContact CZ-CG 4.01Å; F813-A917 HydrophobicContact CE1-CB 3.74Å; F813-A917 HydrophobicContact CZ-CB 4.22Å; F813-Y941 WeakPolarHBondContact CE2-O 3.49Å; F813-Y941 HydrophobicContact CZ-CD1 4.46Å; F813-Y941 WeakPolarHBondContact CZ-O 3.48Å; F813-M1009 HydrophobicContact CD2-CE 3.68Å; F813-M1009 HydrophobicContact CD2-SD 4.28Å; F813-M1009 HydrophobicContact CE2-CE 3.5Å; F813-M1009 HydrophobicContact CE2-SD 3.95Å
814	N	97.9	Very high	96.9	Very high	69 Å²	69	55.1 Å²	55.1	37%	0.369	28%	0.283	S	S	.	.			trans	-146.8	-177.2	-179.3	67.3	65	0	0	0	110.9	A804 K816 D817 L818	A804-N814 HydrophobicContact CB-CB 4.3Å; N814-K816 PolarHBondContact O-N 3.04Å; N814-K816 VanDerWaalsContact O-N 3.15Å; N814-K816 WeakPolarHBondContact OD1-CA 3.49Å; N814-K816 WeakPolarHBondContact OD1-CB 3.23Å; N814-K816 PolarHBondContact OD1-N 2.89Å; N814-D817 PolarHBondContact N-O 2.73Å; N814-D817 CarbonylContact O-C 3.51Å; N814-D817 PolarHBondContact O-N 3.08Å; N814-D817 PolarHBondContact OD1-N 3.18Å; N814-D817 VanDerWaalsContact OD1-N 3.13Å; N814-L818 WeakPolarHBondContact O-CD2 3.39Å
815	A	96.9	Very high	96.9	Very high	20 Å²	20	54 Å²	54	17%	0.165	27%	0.274	C	S	.	.	S	Bend	trans	-63.5	-19.8	-177.2	0	0	0	0	0	114.3	E1006 M1009	A815-E1006 WeakPolarHBondContact O-CG 3.16Å; A815-M1009 HydrophobicContact CB-CB 3.88Å
816	K	95.5	Very high	96.9	Very high	165 Å²	165	56.3 Å²	56.3	72%	0.717	28%	0.281	S	S	*	.	S	Bend	trans	-102.1	-23.3	-179.8	-60.2	-57.4	-174.9	-178.9	0	114.2	N814 E1006	N814-K816 PolarHBondContact O-N 3.04Å; N814-K816 VanDerWaalsContact O-N 3.15Å; N814-K816 WeakPolarHBondContact OD1-CA 3.49Å; N814-K816 WeakPolarHBondContact OD1-CB 3.23Å; N814-K816 PolarHBondContact OD1-N 2.89Å; K816-E1006 IonicContact NZ-OE1 3.62Å; K816-E1006 PolarHBondContact NZ-OE1 3.12Å
817	D	95.9	Very high	97	Very high	79 Å²	79	57.3 Å²	57.3	42%	0.422	29%	0.289	S	S	.	.			trans	-124.5	110.7	168.4	178.5	19.6	0	0	0	110.7	F813 N814 Q819	F813-D817 WeakPolarHBondContact CB-O 3.43Å; N814-D817 PolarHBondContact N-O 2.73Å; N814-D817 CarbonylContact O-C 3.51Å; N814-D817 PolarHBondContact O-N 3.08Å; N814-D817 PolarHBondContact OD1-N 3.18Å; N814-D817 VanDerWaalsContact OD1-N 3.13Å; D817-Q819 WeakPolarHBondContact OD1-CB 3.48Å; D817-Q819 PolarHBondContact OD1-N 3.1Å
818	L	96.6	Very high	97.2	Very high	40 Å²	40	52.1 Å²	52.1	21%	0.209	26%	0.255	C	S	.	.			trans	-97.1	-1	179.1	-60.1	177.9	0	0	0	113.3	N814 G820 K821 M1002 V1005 M1009	N814-L818 WeakPolarHBondContact O-CD2 3.39Å; L818-G820 VanDerWaalsContact C-N 3.32Å; L818-G820 PolarHBondContact O-N 3.31Å; L818-K821 WeakPolarHBondContact O-CB 3.45Å; L818-K821 PolarHBondContact O-N 2.77Å; L818-M1002 HydrophobicContact CD1-CB 4.41Å; L818-M1002 HydrophobicContact CD1-CG 4.49Å; L818-V1005 HydrophobicContact CD1-CB 4.34Å; L818-V1005 HydrophobicContact CD1-CG1 3.93Å; L818-V1005 HydrophobicContact CD2-CG1 3.75Å; L818-M1009 HydrophobicContact CD2-SD 3.68Å
819	Q	96.5	Very high	97.3	Very high	111 Å²	111	48.5 Å²	48.5	52%	0.519	24%	0.239	S	C	.	.	H	α-helix	trans	-56.6	-45.2	-177.3	170.8	56.5	25.7	0	0	111.8	D817 K821 E822 E823	D817-Q819 WeakPolarHBondContact OD1-CB 3.48Å; D817-Q819 PolarHBondContact OD1-N 3.1Å; Q819-K821 PolarHBondContact O-N 2.71Å; Q819-K821 VanDerWaalsContact O-N 3.15Å; Q819-E822 PolarHBondContact O-N 3.3Å; Q819-E823 PolarHBondContact NE2-OE1 3.35Å; Q819-E823 VanDerWaalsContact NE2-OE1 3.12Å; Q819-E823 PolarHBondContact O-N 3.13Å
820	G	97.2	Very high	97.3	Very high	4 Å²	4	55.7 Å²	55.7	4%	0.041	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-21.1	176.8	0	0	0	0	0	114.1	L818 E823 N824	L818-G820 VanDerWaalsContact C-N 3.32Å; L818-G820 PolarHBondContact O-N 3.31Å; G820-E823 PolarHBondContact O-N 2.71Å; G820-N824 PolarHBondContact O-N 2.93Å; G820-N824 PolarHBondContact O-ND2 2.97Å
821	K	97.9	Very high	97.3	Very high	14 Å²	14	55.4 Å²	55.4	6%	0.061	27%	0.27	C	S	.	.	H	α-helix	trans	-68.4	-49.2	176.1	-165	178.7	167.5	60.3	0	111.4	F813 L818 Q819 E823 N824 K825 A917 S919 Y941 G942	F813-K821 HydrophobicContact CD1-CB 4.45Å; F813-K821 HydrophobicContact CD2-CB 3.8Å; F813-K821 HydrophobicContact CD2-CG 4.35Å; F813-K821 HydrophobicContact CE1-CB 4.5Å; F813-K821 HydrophobicContact CE2-CB 3.86Å; F813-K821 HydrophobicContact CE2-CD 3.96Å; F813-K821 HydrophobicContact CE2-CG 3.88Å; F813-K821 HydrophobicContact CG-CB 4.11Å; F813-K821 HydrophobicContact CZ-CB 4.22Å; F813-K821 HydrophobicContact CZ-CD 4.4Å; F813-K821 HydrophobicContact CZ-CG 4.01Å; L818-K821 WeakPolarHBondContact O-CB 3.45Å; L818-K821 PolarHBondContact O-N 2.77Å; Q819-K821 PolarHBondContact O-N 2.71Å; Q819-K821 VanDerWaalsContact O-N 3.15Å; K821-E823 VanDerWaalsContact C-N 3.29Å; K821-E823 PolarHBondContact O-N 2.84Å; K821-N824 PolarHBondContact O-N 3.09Å; K821-K825 WeakPolarHBondContact O-CB 3.43Å; K821-K825 PolarHBondContact O-N 3.25Å; K821-A917 VanDerWaalsContact CG-O 3.24Å; K821-A917 WeakPolarHBondContact CG-O 3.26Å; K821-A917 PolarHBondContact NZ-O 2.9Å; K821-S919 WeakPolarHBondContact CE-O 3.18Å; K821-S919 PolarHBondContact NZ-O 2.6Å; K821-Y941 PolarHBondContact NZ-O 3.05Å; K821-G942 WeakPolarHBondContact CE-O 3.23Å
822	E	96.1	Very high	97.2	Very high	82 Å²	82	55.5 Å²	55.5	38%	0.383	27%	0.268	S	S	.	.	H	α-helix	trans	-67.1	-30.6	175.1	-76.8	-63.4	159.5	0	0	111.9	Q819 K825 H826	Q819-E822 PolarHBondContact O-N 3.3Å; E822-K825 PolarHBondContact O-N 3.06Å; E822-K825 IonicContact OE1-NZ 2.61Å; E822-K825 PolarHBondContact OE1-NZ 2.78Å; E822-K825 VanDerWaalsContact OE2-CD 3.3Å; E822-K825 WeakPolarHBondContact OE2-CD 3.38Å; E822-K825 VanDerWaalsContact OE2-CE 3.3Å; E822-K825 WeakPolarHBondContact OE2-CE 3.3Å; E822-K825 IonicContact OE2-NZ 3.73Å; E822-K825 PolarHBondContact OE2-NZ 2.88Å; E822-H826 WeakPolarHBondContact O-CB 3.46Å; E822-H826 PolarHBondContact O-N 3.3Å
823	E	97.4	Very high	97.1	Very high	71 Å²	71	55.2 Å²	55.2	33%	0.332	28%	0.28	S	S	.	.	H	α-helix	trans	-66.3	-41.1	171.9	-73.9	-160.5	-148	0	0	113.7	K810 A811 Q819 G820 K821 K825 A827	K810-E823 IonicContact NZ-OE2 2.67Å; K810-E823 PolarHBondContact NZ-OE2 3.01Å; A811-E823 HydrophobicContact CB-CB 4.02Å; Q819-E823 PolarHBondContact NE2-OE1 3.35Å; Q819-E823 VanDerWaalsContact NE2-OE1 3.12Å; Q819-E823 PolarHBondContact O-N 3.13Å; G820-E823 PolarHBondContact O-N 2.71Å; K821-E823 VanDerWaalsContact C-N 3.29Å; K821-E823 PolarHBondContact O-N 2.84Å; E823-K825 VanDerWaalsContact C-N 3.33Å; E823-A827 VanDerWaalsContact O-CB 3.24Å; E823-A827 WeakPolarHBondContact O-CB 3.42Å; E823-A827 PolarHBondContact O-N 3.31Å
824	N	98.3	Very high	97.1	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.027	28%	0.282	C	S	.	.	H	α-helix	trans	-64.8	-38.5	172.6	-75.9	-58.1	0	0	0	111.2	K810 A811 G820 K821 A827 L828 A917	K810-N824 PolarHBondContact N-OD1 3.11Å; A811-N824 PolarHBondContact N-OD1 3.02Å; A811-N824 PolarHBondContact O-ND2 2.68Å; G820-N824 PolarHBondContact O-N 2.93Å; G820-N824 PolarHBondContact O-ND2 2.97Å; K821-N824 PolarHBondContact O-N 3.09Å; N824-A827 PolarHBondContact O-N 3.07Å; N824-L828 WeakPolarHBondContact O-CB 3.44Å; N824-L828 PolarHBondContact O-N 3.45Å; N824-A917 HydrophobicContact CB-CB 3.85Å
825	K	98.2	Very high	97	Very high	1 Å²	1	53.9 Å²	53.9	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-45	175.2	-178.8	167.1	149.3	-165.9	0	112.7	K821 E822 E823 R829 L843 A918 D920 Y994	K821-K825 WeakPolarHBondContact O-CB 3.43Å; K821-K825 PolarHBondContact O-N 3.25Å; E822-K825 PolarHBondContact O-N 3.06Å; E822-K825 IonicContact OE1-NZ 2.61Å; E822-K825 PolarHBondContact OE1-NZ 2.78Å; E822-K825 VanDerWaalsContact OE2-CD 3.3Å; E822-K825 WeakPolarHBondContact OE2-CD 3.38Å; E822-K825 VanDerWaalsContact OE2-CE 3.3Å; E822-K825 WeakPolarHBondContact OE2-CE 3.3Å; E822-K825 IonicContact OE2-NZ 3.73Å; E822-K825 PolarHBondContact OE2-NZ 2.88Å; E823-K825 VanDerWaalsContact C-N 3.33Å; K825-R829 WeakPolarHBondContact O-CB 3.44Å; K825-R829 VanDerWaalsContact O-CG 3.28Å; K825-R829 WeakPolarHBondContact O-CG 3.5Å; K825-R829 PolarHBondContact O-N 2.62Å; K825-L843 HydrophobicContact CG-CD2 4.25Å; K825-A918 HydrophobicContact CB-CB 4.32Å; K825-A918 WeakPolarHBondContact CB-O 3.49Å; K825-A918 WeakPolarHBondContact CD-O 3.33Å; K825-A918 WeakPolarHBondContact CG-O 3.26Å; K825-D920 VanDerWaalsContact CE-OD2 3.25Å; K825-D920 WeakPolarHBondContact CE-OD2 3.38Å; K825-D920 VanDerWaalsContact NZ-CG 3.26Å; K825-D920 IonicContact NZ-OD1 2.76Å; K825-D920 PolarHBondContact NZ-OD1 2.91Å; K825-D920 IonicContact NZ-OD2 3.31Å; K825-D920 PolarHBondContact NZ-OD2 3.19Å; K825-Y994 PolarHBondContact NZ-OH 3.02Å
826	H	97.4	Very high	96.7	Very high	102 Å²	102	55.9 Å²	55.9	47%	0.472	29%	0.288	S	S	.	.	H	α-helix	trans	-65	-39.3	172.5	-180	-116.3	0	0	0	112.2	E822 R829 K830	E822-H826 WeakPolarHBondContact O-CB 3.46Å; E822-H826 PolarHBondContact O-N 3.3Å; H826-R829 PolarHBondContact O-N 2.86Å; H826-K830 WeakPolarHBondContact O-CB 3.37Å; H826-K830 PolarHBondContact O-N 3.27Å
827	A	97.4	Very high	96.5	Very high	23 Å²	23	52.6 Å²	52.6	19%	0.19	29%	0.291	C	S	.	.	H	α-helix	trans	-64.2	-46.7	176.8	0	0	0	0	0	112.5	K810 E823 N824 K830 Q831	K810-A827 HydrophobicContact CB-CB 4.36Å; K810-A827 HydrophobicContact CD-CB 3.52Å; K810-A827 HydrophobicContact CG-CB 4.48Å; E823-A827 VanDerWaalsContact O-CB 3.24Å; E823-A827 WeakPolarHBondContact O-CB 3.42Å; E823-A827 PolarHBondContact O-N 3.31Å; N824-A827 PolarHBondContact O-N 3.07Å; A827-K830 PolarHBondContact O-N 3.43Å; A827-Q831 WeakPolarHBondContact O-CB 3.3Å; A827-Q831 PolarHBondContact O-N 3.48Å
828	L	97.8	Very high	96.1	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-65.4	-40.4	177.3	-172.6	69.8	0	0	0	111.3	N824 K830 Q831 L832 L843 L911 I915 A918	N824-L828 WeakPolarHBondContact O-CB 3.44Å; N824-L828 PolarHBondContact O-N 3.45Å; L828-K830 VanDerWaalsContact C-N 3.34Å; L828-K830 PolarHBondContact O-N 3.09Å; L828-Q831 PolarHBondContact O-N 3.12Å; L828-L832 HydrophobicContact CD1-CD1 3.81Å; L828-L832 HydrophobicContact CD1-CD2 4.49Å; L828-L832 HydrophobicContact CD1-CG 3.89Å; L828-L832 HydrophobicContact CD2-CD1 4.3Å; L828-L832 HydrophobicContact CG-CD1 3.83Å; L828-L832 HydrophobicContact CG-CG 4.15Å; L828-L832 WeakPolarHBondContact O-CB 3.25Å; L828-L832 WeakPolarHBondContact O-CG 3.31Å; L828-L832 PolarHBondContact O-N 3.04Å; L828-L843 HydrophobicContact CD2-CD2 4.39Å; L828-L911 HydrophobicContact CD1-CD2 4.13Å; L828-I915 HydrophobicContact CD1-CG1 4.36Å; L828-I915 HydrophobicContact CD2-CB 4.44Å; L828-I915 HydrophobicContact CD2-CG1 3.78Å; L828-A918 HydrophobicContact CB-CB 3.76Å; L828-A918 HydrophobicContact CD2-CB 3.42Å; L828-A918 VanDerWaalsContact CD2-CB 3.42Å; L828-A918 HydrophobicContact CG-CB 4.23Å
829	R	97.7	Very high	95.2	Very high	10 Å²	10	56.1 Å²	56.1	4%	0.038	32%	0.316	C	S	.	.	H	α-helix	trans	-53.1	-51.9	171	-80.2	171.6	167.8	162.3	0.2	111	K825 H826 L832 G833 L834 R841 Q872	K825-R829 WeakPolarHBondContact O-CB 3.44Å; K825-R829 VanDerWaalsContact O-CG 3.28Å; K825-R829 WeakPolarHBondContact O-CG 3.5Å; K825-R829 PolarHBondContact O-N 2.62Å; H826-R829 PolarHBondContact O-N 2.86Å; R829-L832 PolarHBondContact O-N 3.01Å; R829-G833 PolarHBondContact O-N 3.1Å; R829-L834 HydrophobicContact CB-CB 4.37Å; R829-L834 HydrophobicContact CG-CB 4.27Å; R829-L834 PolarHBondContact O-N 3.01Å; R829-R841 PolarHBondContact NH2-O 3.26Å; R829-Q872 VanDerWaalsContact CZ-OE1 3.27Å
830	K	96.8	Very high	95	Very high	168 Å²	168	53.8 Å²	53.8	73%	0.73	30%	0.303	S	S	*	.	H	α-helix	trans	-62.7	-42.8	178.5	-173.3	176.2	-179.4	178.5	0	112.8	H826 A827 L828 G833	H826-K830 WeakPolarHBondContact O-CB 3.37Å; H826-K830 PolarHBondContact O-N 3.27Å; A827-K830 PolarHBondContact O-N 3.43Å; L828-K830 VanDerWaalsContact C-N 3.34Å; L828-K830 PolarHBondContact O-N 3.09Å; K830-G833 PolarHBondContact O-N 2.72Å
831	Q	96.4	Very high	94.9	Very high	122 Å²	122	55.5 Å²	55.5	57%	0.57	31%	0.308	S	S	*	.	H	α-helix	trans	-66	-39.1	179.7	176.9	176.8	-22.7	0	0	112.7	A827 L828	A827-Q831 WeakPolarHBondContact O-CB 3.3Å; A827-Q831 PolarHBondContact O-N 3.48Å; L828-Q831 PolarHBondContact O-N 3.12Å
832	L	96.7	Very high	94.9	Very high	21 Å²	21	54.9 Å²	54.9	11%	0.11	31%	0.305	C	S	.	.	H	α-helix	trans	-89.2	-5.8	-179.3	-61.5	-174	0	0	0	113.4	L828 R829 L834 V874 R902 L904	L828-L832 HydrophobicContact CD1-CD1 3.81Å; L828-L832 HydrophobicContact CD1-CD2 4.49Å; L828-L832 HydrophobicContact CD1-CG 3.89Å; L828-L832 HydrophobicContact CD2-CD1 4.3Å; L828-L832 HydrophobicContact CG-CD1 3.83Å; L828-L832 HydrophobicContact CG-CG 4.15Å; L828-L832 WeakPolarHBondContact O-CB 3.25Å; L828-L832 WeakPolarHBondContact O-CG 3.31Å; L828-L832 PolarHBondContact O-N 3.04Å; R829-L832 PolarHBondContact O-N 3.01Å; L832-L834 HydrophobicContact CB-CD1 4.29Å; L832-L834 HydrophobicContact CB-CG 4.12Å; L832-L834 HydrophobicContact CD1-CD1 4.42Å; L832-V874 HydrophobicContact CD1-CB 4.48Å; L832-V874 HydrophobicContact CD1-CG1 3.84Å; L832-V874 HydrophobicContact CD1-CG2 3.7Å; L832-R902 HydrophobicContact CB-CG 4.37Å; L832-R902 HydrophobicContact CD1-CB 4.37Å; L832-R902 VanDerWaalsContact O-CZ 3.23Å; L832-R902 PolarHBondContact O-NE 3.17Å; L832-R902 PolarHBondContact O-NH2 2.67Å; L832-L904 HydrophobicContact CD1-CD1 4.32Å; L832-L904 HydrophobicContact CD2-CD1 4.02Å; L832-L904 HydrophobicContact CD2-CD2 4.18Å
833	G	96.4	Very high	95	Very high	47 Å²	47	51 Å²	51	49%	0.485	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	39.6	-174.8	0	0	0	0	0	112.8	R829 K830 R902	R829-G833 PolarHBondContact O-N 3.1Å; K830-G833 PolarHBondContact O-N 2.72Å; G833-R902 PolarHBondContact O-NH2 3.43Å
834	L	97.4	Very high	95.1	Very high	10 Å²	10	47.7 Å²	47.7	5%	0.052	27%	0.271	C	S	.	.			trans	-95.2	149	171.2	-61.1	173.9	0	0	0	109.5	R829 L832 V874 D899 R902	R829-L834 HydrophobicContact CB-CB 4.37Å; R829-L834 HydrophobicContact CG-CB 4.27Å; R829-L834 PolarHBondContact O-N 3.01Å; L832-L834 HydrophobicContact CB-CD1 4.29Å; L832-L834 HydrophobicContact CB-CG 4.12Å; L832-L834 HydrophobicContact CD1-CD1 4.42Å; L834-V874 HydrophobicContact CD1-CG2 3.74Å; L834-D899 CarbonylContact C-O 3.38Å; L834-D899 WeakPolarHBondContact CA-O 3.38Å; L834-R902 HydrophobicContact CD2-CB 4.33Å
835	S	96.5	Very high	95.1	Very high	34 Å²	34	47.4 Å²	47.4	24%	0.238	27%	0.27	C	S	.	.			trans	-66	138.2	179.8	-177.8	0	0	0	0	111.8	A837 Q872 D899	S835-A837 WeakPolarHBondContact OG-CB 3.38Å; S835-A837 PolarHBondContact OG-N 3.07Å; S835-Q872 PolarHBondContact O-NE2 2.72Å; S835-D899 PolarHBondContact N-O 3.12Å
836	S	91.5	Very high	95.1	Very high	61 Å²	61	47.4 Å²	47.4	43%	0.427	27%	0.27	S	S	.	.			trans	-113.2	11.2	169.1	54.5	0	0	0	0	112.5	E838	S836-E838 VanDerWaalsContact C-N 3.31Å; S836-E838 PolarHBondContact O-N 3.49Å
837	A	90.4	Very high	95.1	Very high	96 Å²	96	43.6 Å²	43.6	79%	0.793	25%	0.253	S	S	*	.	S	Bend	trans	-68.8	-25.7	-174.9	0	0	0	0	0	113.9	S835	S835-A837 WeakPolarHBondContact OG-CB 3.38Å; S835-A837 PolarHBondContact OG-N 3.07Å
838	E	88.2	Confident	95	Very high	86 Å²	86	43.8 Å²	43.8	40%	0.402	25%	0.252	S	S	.	.	S	Bend	trans	-104.1	115.9	172.1	-175.9	-179.3	-180	0	0	109.5	S836 R841	S836-E838 VanDerWaalsContact C-N 3.31Å; S836-E838 PolarHBondContact O-N 3.49Å; E838-R841 HydrophobicContact CB-CB 4.32Å; E838-R841 HydrophobicContact CG-CB 4.21Å; E838-R841 IonicContact OE2-CZ 3.79Å; E838-R841 IonicContact OE2-NE 3.64Å; E838-R841 PolarHBondContact OE2-NE 2.81Å; E838-R841 IonicContact OE2-NH2 3.06Å; E838-R841 PolarHBondContact OE2-NH2 3.03Å
839	S	77.1	Confident	94.6	Very high	107 Å²	107	49.8 Å²	49.8	75%	0.748	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-63.4	-177.3	178	0	0	0	0	112	R841	S839-R841 VanDerWaalsContact C-N 3.29Å; S839-R841 PolarHBondContact O-N 3.48Å; S839-R841 VanDerWaalsContact O-N 3.09Å
840	R	91.4	Very high	94.5	Very high	62 Å²	62	49.3 Å²	49.3	23%	0.234	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	41.7	-172.8	-156.9	176.2	-175.6	68.3	12.8	114.5	Y994 E998	R840-Y994 HydrophobicContact CG-CE1 3.87Å; R840-Y994 PolarHBondContact NE-O 2.96Å; R840-Y994 PolarHBondContact NH2-O 2.52Å; R840-E998 IonicContact CZ-OE1 3.57Å; R840-E998 IonicContact CZ-OE2 2.72Å; R840-E998 IonicContact NH1-OE1 2.68Å; R840-E998 PolarHBondContact NH1-OE1 3.41Å; R840-E998 IonicContact NH1-OE2 3.46Å; R840-E998 PolarHBondContact NH1-OE2 3.43Å
841	R	96.2	Very high	94.3	Very high	41 Å²	41	42.4 Å²	42.4	16%	0.155	24%	0.244	C	C	.	.			trans	-87.6	125.4	171.5	-178.4	167.1	-74.9	-118.4	3.1	110.6	R829 E838 S839 G870 G871 Q872 H900	R829-R841 PolarHBondContact NH2-O 3.26Å; E838-R841 HydrophobicContact CB-CB 4.32Å; E838-R841 HydrophobicContact CG-CB 4.21Å; E838-R841 IonicContact OE2-CZ 3.79Å; E838-R841 IonicContact OE2-NE 3.64Å; E838-R841 PolarHBondContact OE2-NE 2.81Å; E838-R841 IonicContact OE2-NH2 3.06Å; E838-R841 PolarHBondContact OE2-NH2 3.03Å; S839-R841 VanDerWaalsContact C-N 3.29Å; S839-R841 PolarHBondContact O-N 3.48Å; S839-R841 VanDerWaalsContact O-N 3.09Å; R841-G870 PolarHBondContact NH1-O 3.06Å; R841-G871 PolarHBondContact NH1-O 3Å; R841-G871 VanDerWaalsContact NH1-O 3.09Å; R841-Q872 HydrophobicContact CG-CG 4.02Å; R841-H900 PolarHBondContact NH1-CD2 2.71Å
842	P	97.7	Very high	94.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.243	C	C	.	.			trans	-72	138.9	178	26.4	-32.4	0	0	0	112.4	G871 Q872 D920 F991 Y994	P842-G871 CarbonylContact O-C 3.56Å; P842-G871 WeakPolarHBondContact O-CA 3.45Å; P842-Q872 PolarHBondContact O-N 3.03Å; P842-D920 WeakPolarHBondContact CA-OD2 3.47Å; P842-F991 HydrophobicContact CB-CZ 4.38Å; P842-F991 HydrophobicContact CG-CD1 3.93Å; P842-F991 HydrophobicContact CG-CE1 3.56Å; P842-F991 HydrophobicContact CG-CE2 4.4Å; P842-F991 HydrophobicContact CG-CZ 3.81Å; P842-Y994 HydrophobicContact CB-CD1 3.64Å; P842-Y994 HydrophobicContact CB-CD2 4.44Å; P842-Y994 HydrophobicContact CB-CE1 3.73Å; P842-Y994 HydrophobicContact CB-CG 4.02Å; P842-Y994 HydrophobicContact CG-CD1 3.99Å; P842-Y994 HydrophobicContact CG-CE1 4.23Å
843	L	98.6	Very high	93.7	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.4	174.7	177.9	58.8	0	0	0	110.6	K825 L828 Q872 V874 A918 D920 L921	K825-L843 HydrophobicContact CG-CD2 4.25Å; L828-L843 HydrophobicContact CD2-CD2 4.39Å; L843-Q872 HydrophobicContact CD1-CB 3.69Å; L843-V874 HydrophobicContact CD1-CG2 3.91Å; L843-A918 HydrophobicContact CD2-CB 4.13Å; L843-D920 PolarHBondContact N-OD2 3.37Å; L843-D920 PolarHBondContact O-N 2.71Å; L843-L921 PolarHBondContact O-N 3.41Å
844	V	98.8	Very high	93.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.6	177.3	-172.9	0	0	0	0	109.9	T866 Q872 F873 V874 L921 I923 F991	V844-T866 HydrophobicContact CB-CG2 4.07Å; V844-T866 HydrophobicContact CG2-CG2 3.64Å; V844-Q872 PolarHBondContact N-O 2.63Å; V844-F873 HydrophobicContact CB-CD2 3.88Å; V844-F873 HydrophobicContact CB-CE2 4.27Å; V844-F873 HydrophobicContact CG1-CD2 3.87Å; V844-F873 HydrophobicContact CG1-CE2 3.73Å; V844-F873 WeakPolarHBondContact O-CA 3.32Å; V844-V874 PolarHBondContact O-N 3.45Å; V844-L921 CarbonylContact C-O 3.59Å; V844-L921 WeakPolarHBondContact CA-O 3.31Å; V844-L921 HydrophobicContact CG1-CB 4.49Å; V844-L921 HydrophobicContact CG2-CB 4.19Å; V844-L921 HydrophobicContact CG2-CD1 4.26Å; V844-I923 HydrophobicContact CG1-CG2 3.7Å; V844-F991 HydrophobicContact CG2-CE2 3.76Å; V844-F991 HydrophobicContact CG2-CZ 3.92Å
845	G	98.6	Very high	93.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	149	173.9	0	0	0	0	0	113.1	L921 F922 I923	G845-L921 PolarHBondContact N-O 2.91Å; G845-F922 WeakPolarHBondContact O-CA 3.29Å; G845-I923 PolarHBondContact O-N 3.31Å
846	C	98.6	Very high	93.6	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	123	163.6	-169.9	0	0	0	0	109.6	F873 V874 L875 L876 I923	C846-F873 HydrophobicContact CB-CE1 4.09Å; C846-F873 HydrophobicContact CB-CZ 3.85Å; C846-V874 PolarHBondContact N-O 3Å; C846-L875 HydrophobicContact CB-CD1 3.8Å; C846-L875 CarbonylContact O-C 3.24Å; C846-L875 WeakPolarHBondContact O-CA 3.4Å; C846-L876 PolarHBondContact O-N 3.24Å; C846-I923 HydrophobicContact CB-CD1 4.25Å; C846-I923 HydrophobicContact CB-CG1 3.74Å
847	I	97.6	Very high	93.9	Very high	22 Å²	22	40.4 Å²	40.4	11%	0.113	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	114.4	175.1	-56.1	157.5	0	0	0	107.7	L876 S912 I915 Y916 F922	I847-L876 WeakPolarHBondContact CA-O 3.32Å; I847-L876 HydrophobicContact CG1-CB 4.2Å; I847-L876 HydrophobicContact CG1-CD2 4.39Å; I847-L876 HydrophobicContact CG2-CB 4.48Å; I847-L876 HydrophobicContact CG2-CD2 4.12Å; I847-L876 HydrophobicContact CG2-CG 4.44Å; I847-S912 WeakPolarHBondContact CD1-O 3.3Å; I847-I915 HydrophobicContact CD1-CB 3.95Å; I847-I915 HydrophobicContact CD1-CG2 3.76Å; I847-I915 HydrophobicContact CG1-CB 4.35Å; I847-I915 HydrophobicContact CG1-CG2 3.88Å; I847-Y916 HydrophobicContact CD1-CD1 4.04Å; I847-Y916 HydrophobicContact CD1-CD2 3.67Å; I847-Y916 HydrophobicContact CD1-CE1 3.84Å; I847-Y916 HydrophobicContact CD1-CE2 3.44Å; I847-Y916 VanDerWaalsContact CD1-CE2 3.44Å; I847-Y916 HydrophobicContact CD1-CG 3.96Å; I847-F922 HydrophobicContact CB-CE2 4.11Å; I847-F922 HydrophobicContact CB-CZ 3.88Å; I847-F922 HydrophobicContact CD1-CE2 3.8Å; I847-F922 HydrophobicContact CD1-CZ 4.31Å; I847-F922 HydrophobicContact CG1-CE2 3.87Å; I847-F922 HydrophobicContact CG1-CZ 4.18Å; I847-F922 VanDerWaalsContact N-CZ 3.26Å
848	T	94.4	Very high	94.2	Very high	26 Å²	26	36.2 Å²	36.2	16%	0.16	18%	0.183	C	C	.	.			trans	-162.8	168.6	-175.1	-163.9	0	0	0	0	113.8	L850 K854 I859 L876 G877	T848-L850 HydrophobicContact CG2-CD2 4.1Å; T848-K854 WeakPolarHBondContact OG1-CD 3.39Å; T848-K854 WeakPolarHBondContact OG1-CG 3.47Å; T848-I859 HydrophobicContact CG2-CD1 3.75Å; T848-L876 PolarHBondContact N-O 2.84Å; T848-L876 VanDerWaalsContact N-O 3.09Å; T848-G877 WeakPolarHBondContact O-CA 3.15Å
849	R	90.3	Very high	94.7	Very high	130 Å²	130	32.1 Å²	32.1	49%	0.491	16%	0.164	S	C	.	.			trans	-85.4	126	163.4	-64.7	-177.5	-64.3	156.6	3.6	108.1	V851 K854	R849-V851 VanDerWaalsContact C-N 3.31Å; R849-V851 PolarHBondContact O-N 3.2Å; R849-K854 WeakPolarHBondContact O-CG 3.37Å
850	L	95.3	Very high	95.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.145	C	C	.	.			trans	-78.7	77.6	-175.8	-66.1	173.3	0	0	0	111.1	T848 V856 I859 L875 G877 S878 S879 I884 F888 L905	T848-L850 HydrophobicContact CG2-CD2 4.1Å; L850-V856 HydrophobicContact CB-CG1 4.2Å; L850-V856 HydrophobicContact CD2-CG1 4.22Å; L850-I859 HydrophobicContact CD2-CD1 4.38Å; L850-L875 HydrophobicContact CD1-CD2 4.38Å; L850-L875 HydrophobicContact CD2-CD1 4.42Å; L850-L875 HydrophobicContact CD2-CD2 4.35Å; L850-G877 WeakPolarHBondContact CD1-O 3.46Å; L850-S878 PolarHBondContact N-O 3.17Å; L850-S879 WeakPolarHBondContact O-CB 3.43Å; L850-S879 PolarHBondContact O-OG 3.12Å; L850-I884 HydrophobicContact CB-CG2 4.05Å; L850-F888 HydrophobicContact CD1-CB 4.09Å; L850-F888 HydrophobicContact CD1-CD1 3.89Å; L850-F888 HydrophobicContact CD1-CD2 4.16Å; L850-F888 HydrophobicContact CD1-CE1 4.38Å; L850-F888 HydrophobicContact CD1-CG 3.76Å; L850-F888 HydrophobicContact CD2-CD1 4.28Å; L850-F888 HydrophobicContact CD2-CE1 3.93Å; L850-F888 HydrophobicContact CD2-CE2 4.36Å; L850-F888 HydrophobicContact CD2-CZ 3.97Å; L850-L905 HydrophobicContact CD1-CD2 4.12Å
851	V	91.8	Very high	96.1	Very high	22 Å²	22	29.6 Å²	29.6	13%	0.133	14%	0.139	C	C	.	.	S	Bend	trans	-128.2	156.8	179.6	-66.1	0	0	0	0	110.9	R849 Q853 K854 P880	R849-V851 VanDerWaalsContact C-N 3.31Å; R849-V851 PolarHBondContact O-N 3.2Å; V851-Q853 HydrophobicContact CG2-CB 4.19Å; V851-Q853 PolarHBondContact O-N 3.48Å; V851-Q853 VanDerWaalsContact O-N 3.08Å; V851-K854 HydrophobicContact CG2-CG 3.98Å; V851-K854 PolarHBondContact O-N 2.92Å; V851-P880 HydrophobicContact CG1-CG 3.76Å
852	P	91.8	Very high	96.2	Very high	83 Å²	83	27.6 Å²	27.6	54%	0.539	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-52.9	-36.2	-174.5	-29.7	37.1	0	0	0	114.7	K854 G855 I884 I927	P852-K854 PolarHBondContact O-N 2.9Å; P852-K854 VanDerWaalsContact O-N 3.1Å; P852-G855 PolarHBondContact O-N 3.26Å; P852-G855 VanDerWaalsContact O-N 3.13Å; P852-I884 HydrophobicContact CG-CD1 4.12Å; P852-I927 VanDerWaalsContact O-CG1 3.28Å; P852-I927 WeakPolarHBondContact O-CG1 3.45Å
853	Q	88.8	Confident	96.2	Very high	18 Å²	18	27.6 Å²	27.6	8%	0.084	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-47.1	-39.3	172.4	180	-172.3	15.8	0	0	113	V851 G855 S926 I927 F928	V851-Q853 HydrophobicContact CG2-CB 4.19Å; V851-Q853 PolarHBondContact O-N 3.48Å; V851-Q853 VanDerWaalsContact O-N 3.08Å; Q853-G855 VanDerWaalsContact C-N 3.3Å; Q853-G855 PolarHBondContact O-N 3.04Å; Q853-S926 CarbonylContact O-C 3.6Å; Q853-S926 WeakPolarHBondContact O-CA 3.33Å; Q853-I927 PolarHBondContact O-N 2.78Å; Q853-F928 HydrophobicContact CB-CD1 4.48Å; Q853-F928 HydrophobicContact CB-CE1 3.92Å; Q853-F928 HydrophobicContact CB-CZ 4.13Å; Q853-F928 HydrophobicContact CG-CD1 3.98Å; Q853-F928 HydrophobicContact CG-CD2 4.23Å; Q853-F928 HydrophobicContact CG-CE1 3.69Å; Q853-F928 HydrophobicContact CG-CE2 3.96Å; Q853-F928 HydrophobicContact CG-CG 4.23Å; Q853-F928 HydrophobicContact CG-CZ 3.68Å; Q853-F928 WeakPolarHBondContact CG-O 3.16Å; Q853-F928 PolarHBondContact NE2-O 2.73Å; Q853-F928 VanDerWaalsContact NE2-O 3.1Å
854	K	94.4	Very high	96.2	Very high	20 Å²	20	30.6 Å²	30.6	9%	0.087	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-88.2	8.9	-171.6	-61.4	-65.1	-171	171	0	113.9	T848 R849 V851 P852 I859 E929	T848-K854 WeakPolarHBondContact OG1-CD 3.39Å; T848-K854 WeakPolarHBondContact OG1-CG 3.47Å; R849-K854 WeakPolarHBondContact O-CG 3.37Å; V851-K854 HydrophobicContact CG2-CG 3.98Å; V851-K854 PolarHBondContact O-N 2.92Å; P852-K854 PolarHBondContact O-N 2.9Å; P852-K854 VanDerWaalsContact O-N 3.1Å; K854-I859 WeakPolarHBondContact O-CD1 3.46Å; K854-E929 IonicContact NZ-OE1 2.7Å; K854-E929 PolarHBondContact NZ-OE1 2.8Å; K854-E929 IonicContact NZ-OE2 3.9Å; K854-E929 PolarHBondContact NZ-OE2 3.05Å
855	G	95.9	Very high	96.2	Very high	3 Å²	3	32.6 Å²	32.6	3%	0.031	15%	0.15	C	C	.	.			trans	68.1	43.4	175.4	0	0	0	0	0	113.2	P852 Q853 H857 L858 I859	P852-G855 PolarHBondContact O-N 3.26Å; P852-G855 VanDerWaalsContact O-N 3.13Å; Q853-G855 VanDerWaalsContact C-N 3.3Å; Q853-G855 PolarHBondContact O-N 3.04Å; G855-H857 PolarHBondContact O-N 3.42Å; G855-L858 WeakPolarHBondContact O-CA 3.49Å; G855-L858 WeakPolarHBondContact O-CB 3.33Å; G855-L858 PolarHBondContact O-N 2.93Å; G855-I859 PolarHBondContact O-N 3.47Å
856	V	97.5	Very high	96.2	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	15%	0.15	C	C	.	.	H	α-helix	trans	-52.3	-32.4	-174.4	-70.3	0	0	0	0	114.7	L850 I859 R860 I884 F888	L850-V856 HydrophobicContact CB-CG1 4.2Å; L850-V856 HydrophobicContact CD2-CG1 4.22Å; V856-I859 PolarHBondContact O-N 3.4Å; V856-R860 WeakPolarHBondContact O-CB 3.17Å; V856-R860 PolarHBondContact O-N 3.32Å; V856-I884 HydrophobicContact CB-CG2 4.37Å; V856-I884 HydrophobicContact CG1-CG2 4.12Å; V856-I884 HydrophobicContact CG2-CD1 4.25Å; V856-I884 HydrophobicContact CG2-CG2 4.46Å; V856-F888 HydrophobicContact CB-CE2 4.14Å; V856-F888 HydrophobicContact CB-CZ 4.33Å
857	H	97.8	Very high	96.2	Very high	127 Å²	127	34.9 Å²	34.9	59%	0.588	16%	0.162	S	C	*	.	H	α-helix	trans	-68	-37.1	174.5	-52.5	-50.8	0	0	0	112.4	G855 R860 H861	G855-H857 PolarHBondContact O-N 3.42Å; H857-R860 PolarHBondContact O-N 3.3Å; H857-H861 WeakPolarHBondContact O-CB 3.4Å; H857-H861 PolarHBondContact O-N 2.91Å
858	L	98.4	Very high	96.2	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-72	-35.1	173.5	-58.8	177.4	0	0	0	111.6	G855 H861 A862 P925 F975 D979 E980	G855-L858 WeakPolarHBondContact O-CA 3.49Å; G855-L858 WeakPolarHBondContact O-CB 3.33Å; G855-L858 PolarHBondContact O-N 2.93Å; L858-H861 PolarHBondContact O-N 2.9Å; L858-A862 VanDerWaalsContact O-CB 3.3Å; L858-A862 WeakPolarHBondContact O-CB 3.41Å; L858-A862 PolarHBondContact O-N 3.14Å; L858-P925 HydrophobicContact CB-CB 3.78Å; L858-P925 HydrophobicContact CB-CG 4.13Å; L858-P925 HydrophobicContact CD1-CB 4.01Å; L858-F975 HydrophobicContact CD1-CE2 4.18Å; L858-F975 HydrophobicContact CD1-CZ 4.34Å; L858-D979 VanDerWaalsContact CD2-C 3.46Å; L858-E980 HydrophobicContact CD2-CG 4.48Å
859	I	98.5	Very high	96.4	Very high	1 Å²	1	41 Å²	41	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-62.9	-45.8	171.2	-60.8	174.8	0	0	0	110.3	T848 L850 K854 G855 V856 H861 A862 I863 L875 F888 I923 P925	T848-I859 HydrophobicContact CG2-CD1 3.75Å; L850-I859 HydrophobicContact CD2-CD1 4.38Å; K854-I859 WeakPolarHBondContact O-CD1 3.46Å; G855-I859 PolarHBondContact O-N 3.47Å; V856-I859 PolarHBondContact O-N 3.4Å; I859-H861 PolarHBondContact O-N 2.8Å; I859-A862 WeakPolarHBondContact O-CB 3.48Å; I859-A862 PolarHBondContact O-N 2.95Å; I859-I863 WeakPolarHBondContact O-CG1 3.48Å; I859-I863 PolarHBondContact O-N 3.44Å; I859-L875 HydrophobicContact CG2-CD1 4.04Å; I859-F888 HydrophobicContact CB-CZ 4.44Å; I859-F888 HydrophobicContact CG2-CE1 4.04Å; I859-F888 HydrophobicContact CG2-CZ 4.27Å; I859-I923 HydrophobicContact CG1-CD1 4.4Å; I859-P925 HydrophobicContact CD1-CG 4.46Å; I859-P925 HydrophobicContact CG1-CG 3.6Å
860	R	98.4	Very high	96.7	Very high	93 Å²	93	35.7 Å²	35.7	35%	0.351	18%	0.175	S	C	.	.	H	α-helix	trans	-57.1	-48.1	174.9	172.6	179.2	179.3	-70.3	-5.7	111.3	V856 H857 I863 Y864 E887 F888 I891	V856-R860 WeakPolarHBondContact O-CB 3.17Å; V856-R860 PolarHBondContact O-N 3.32Å; H857-R860 PolarHBondContact O-N 3.3Å; R860-I863 PolarHBondContact O-N 2.91Å; R860-Y864 HydrophobicContact CG-CE2 4.13Å; R860-Y864 WeakPolarHBondContact O-CD2 3.49Å; R860-E887 WeakPolarHBondContact CD-OE1 3.41Å; R860-E887 IonicContact NE-OE1 2.72Å; R860-F888 HydrophobicContact CB-CZ 4.3Å; R860-I891 HydrophobicContact CB-CD1 4.49Å; R860-I891 HydrophobicContact CG-CD1 3.86Å
861	H	98.5	Very high	96.8	Very high	22 Å²	22	35.7 Å²	35.7	10%	0.102	18%	0.175	C	C	.	.	H	α-helix	trans	-60	-45	175.9	176.3	54	0	0	0	112.3	H857 L858 I859 I863 Y864 R865 E980 F983 N984	H857-H861 WeakPolarHBondContact O-CB 3.4Å; H857-H861 PolarHBondContact O-N 2.91Å; L858-H861 PolarHBondContact O-N 2.9Å; I859-H861 PolarHBondContact O-N 2.8Å; H861-I863 VanDerWaalsContact C-N 3.29Å; H861-I863 PolarHBondContact O-N 3.43Å; H861-Y864 PolarHBondContact O-N 2.86Å; H861-R865 PolarHBondContact O-N 2.83Å; H861-E980 HydrophobicContact CB-CG 4.1Å; H861-E980 IonicContact CG-OE1 2.74Å; H861-E980 IonicContact ND1-OE1 3.29Å; H861-E980 IonicContact ND1-OE2 2.63Å; H861-F983 AromaticContact CD2-CD1 3.89Å; H861-N984 PolarHBondContact NE2-OD1 2.91Å
862	A	98.5	Very high	97.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57	-37.9	-180	0	0	0	0	0	113.3	L858 I859 Y864 R865 T866 F873 I923 F983	L858-A862 VanDerWaalsContact O-CB 3.3Å; L858-A862 WeakPolarHBondContact O-CB 3.41Å; L858-A862 PolarHBondContact O-N 3.14Å; I859-A862 WeakPolarHBondContact O-CB 3.48Å; I859-A862 PolarHBondContact O-N 2.95Å; A862-Y864 VanDerWaalsContact C-N 3.31Å; A862-Y864 PolarHBondContact O-N 3.36Å; A862-R865 PolarHBondContact O-N 2.97Å; A862-T866 WeakPolarHBondContact O-CB 3.44Å; A862-T866 PolarHBondContact O-N 2.63Å; A862-T866 PolarHBondContact O-OG1 2.84Å; A862-F873 HydrophobicContact CB-CE2 3.9Å; A862-F873 HydrophobicContact CB-CZ 4.42Å; A862-I923 HydrophobicContact CB-CD1 3.52Å; A862-F983 HydrophobicContact CB-CE1 3.47Å; A862-F983 VanDerWaalsContact CB-CE1 3.47Å; A862-F983 HydrophobicContact CB-CE2 4.4Å; A862-F983 HydrophobicContact CB-CZ 3.4Å; A862-F983 VanDerWaalsContact CB-CZ 3.4Å
863	I	98.5	Very high	97.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-55.5	-46.9	175	-65.7	163.8	0	0	0	110.8	I859 R860 H861 L867 F873 F888 I891 F895 V901 L903	I859-I863 WeakPolarHBondContact O-CG1 3.48Å; I859-I863 PolarHBondContact O-N 3.44Å; R860-I863 PolarHBondContact O-N 2.91Å; H861-I863 VanDerWaalsContact C-N 3.29Å; H861-I863 PolarHBondContact O-N 3.43Å; I863-L867 PolarHBondContact O-N 3.13Å; I863-F873 HydrophobicContact CD1-CE1 4.46Å; I863-F873 HydrophobicContact CG1-CD1 3.66Å; I863-F873 HydrophobicContact CG1-CD2 4.47Å; I863-F873 HydrophobicContact CG1-CE1 3.61Å; I863-F873 HydrophobicContact CG1-CE2 4.42Å; I863-F873 HydrophobicContact CG1-CG 4.11Å; I863-F873 HydrophobicContact CG1-CZ 4.01Å; I863-F888 HydrophobicContact CD1-CE1 4.29Å; I863-I891 HydrophobicContact CD1-CG2 4.19Å; I863-I891 HydrophobicContact CG2-CG2 4.46Å; I863-F895 HydrophobicContact CG2-CD2 4.37Å; I863-F895 HydrophobicContact CG2-CE2 3.88Å; I863-V901 HydrophobicContact CG2-CG1 3.71Å; I863-L903 HydrophobicContact CD1-CD1 4.36Å; I863-L903 HydrophobicContact CD1-CD2 4.24Å; I863-L903 HydrophobicContact CD1-CG 4.48Å
864	Y	98.5	Very high	97.9	Very high	64 Å²	64	30 Å²	30	25%	0.251	14%	0.14	S	C	.	.	H	α-helix	trans	-75.5	-43.4	-179.1	-61.4	-72.5	0	0	0	112	R860 H861 A862 T866 L867 E868 Q894 F895	R860-Y864 HydrophobicContact CG-CE2 4.13Å; R860-Y864 WeakPolarHBondContact O-CD2 3.49Å; H861-Y864 PolarHBondContact O-N 2.86Å; A862-Y864 VanDerWaalsContact C-N 3.31Å; A862-Y864 PolarHBondContact O-N 3.36Å; Y864-T866 PolarHBondContact O-N 3.49Å; Y864-L867 WeakPolarHBondContact O-CB 3.45Å; Y864-L867 PolarHBondContact O-N 2.89Å; Y864-E868 PolarHBondContact O-N 3.27Å; Y864-Q894 PolarHBondContact OH-OE1 2.83Å; Y864-F895 HydrophobicContact CD1-CE2 4.38Å; Y864-F895 HydrophobicContact CD1-CZ 4.06Å; Y864-F895 AromaticContact CE1-CE2 3.76Å; Y864-F895 HydrophobicContact CE1-CE2 3.76Å; Y864-F895 AromaticContact CE1-CZ 3.71Å; Y864-F895 HydrophobicContact CE1-CZ 3.71Å
865	R	98.5	Very high	98.2	Very high	42 Å²	42	29 Å²	29	16%	0.158	14%	0.136	C	C	.	.	H	α-helix	trans	-65	-38.1	178.9	-167.8	70.9	179.4	161.1	1.9	112.5	H861 A862 L867 E868 L869 N984 L987 E988	H861-R865 PolarHBondContact O-N 2.83Å; A862-R865 PolarHBondContact O-N 2.97Å; R865-L867 VanDerWaalsContact C-N 3.3Å; R865-L867 PolarHBondContact O-N 2.8Å; R865-E868 WeakPolarHBondContact CD-OE2 3.26Å; R865-E868 IonicContact CZ-OE1 3.18Å; R865-E868 IonicContact CZ-OE2 2.64Å; R865-E868 IonicContact NH1-OE1 2.67Å; R865-E868 PolarHBondContact NH1-OE1 3.27Å; R865-E868 IonicContact NH1-OE2 2.8Å; R865-E868 PolarHBondContact NH1-OE2 3.34Å; R865-E868 PolarHBondContact O-N 3.43Å; R865-L869 HydrophobicContact CG-CD1 4.06Å; R865-L869 HydrophobicContact CG-CG 4.41Å; R865-L869 WeakPolarHBondContact O-CB 3.43Å; R865-L869 WeakPolarHBondContact O-CG 3.46Å; R865-L869 PolarHBondContact O-N 3.33Å; R865-N984 VanDerWaalsContact CD-OD1 3.28Å; R865-N984 WeakPolarHBondContact CD-OD1 3.41Å; R865-N984 VanDerWaalsContact CG-OD1 3.29Å; R865-N984 WeakPolarHBondContact CG-OD1 3.44Å; R865-N984 PolarHBondContact NE-OD1 3.19Å; R865-L987 HydrophobicContact CB-CD2 4.04Å; R865-L987 HydrophobicContact CG-CD2 3.82Å; R865-E988 IonicContact CZ-OE1 2.98Å; R865-E988 IonicContact NE-OE1 2.7Å; R865-E988 IonicContact NH2-OE1 3.66Å; R865-E988 PolarHBondContact NH2-OE1 3.34Å
866	T	98.6	Very high	98.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.2	-38.6	173.7	-72.8	0	0	0	0	112.2	V844 A862 Y864 G870 G871 Q872 F873 F991	V844-T866 HydrophobicContact CB-CG2 4.07Å; V844-T866 HydrophobicContact CG2-CG2 3.64Å; A862-T866 WeakPolarHBondContact O-CB 3.44Å; A862-T866 PolarHBondContact O-N 2.63Å; A862-T866 PolarHBondContact O-OG1 2.84Å; Y864-T866 PolarHBondContact O-N 3.49Å; T866-G870 PolarHBondContact O-N 3.17Å; T866-G871 WeakPolarHBondContact O-CA 3.44Å; T866-G871 PolarHBondContact O-N 3.22Å; T866-Q872 VanDerWaalsContact CG2-O 3.24Å; T866-Q872 WeakPolarHBondContact CG2-O 3.49Å; T866-F873 HydrophobicContact CG2-CB 3.9Å; T866-F873 HydrophobicContact CG2-CD2 3.98Å; T866-F873 HydrophobicContact CG2-CG 4.47Å; T866-F991 HydrophobicContact CG2-CZ 4.16Å
867	L	97.9	Very high	98.2	Very high	50 Å²	50	29.3 Å²	29.3	26%	0.262	14%	0.138	S	C	.	.	H	α-helix	trans	-68.9	-43.5	175.5	179	55.6	0	0	0	111.5	I863 Y864 R865 L869 G870 F895 H900 V901	I863-L867 PolarHBondContact O-N 3.13Å; Y864-L867 WeakPolarHBondContact O-CB 3.45Å; Y864-L867 PolarHBondContact O-N 2.89Å; R865-L867 VanDerWaalsContact C-N 3.3Å; R865-L867 PolarHBondContact O-N 2.8Å; L867-L869 PolarHBondContact O-N 2.88Å; L867-G870 PolarHBondContact O-N 3.05Å; L867-F895 HydrophobicContact CD2-CE1 3.92Å; L867-F895 HydrophobicContact CD2-CZ 4.29Å; L867-H900 HydrophobicContact CD1-CB 3.93Å; L867-V901 HydrophobicContact CB-CG2 4.48Å; L867-V901 HydrophobicContact CD2-CG2 4.39Å
868	E	98.1	Very high	97.9	Very high	136 Å²	136	25.5 Å²	25.5	64%	0.636	13%	0.125	S	C	*	.	H	α-helix	trans	-60.5	-42.1	177.4	-166.3	-169	159.5	0	0	112.4	Y864 R865 G870	Y864-E868 PolarHBondContact O-N 3.27Å; R865-E868 WeakPolarHBondContact CD-OE2 3.26Å; R865-E868 IonicContact CZ-OE1 3.18Å; R865-E868 IonicContact CZ-OE2 2.64Å; R865-E868 IonicContact NH1-OE1 2.67Å; R865-E868 PolarHBondContact NH1-OE1 3.27Å; R865-E868 IonicContact NH1-OE2 2.8Å; R865-E868 PolarHBondContact NH1-OE2 3.34Å; R865-E868 PolarHBondContact O-N 3.43Å; E868-G870 PolarHBondContact O-N 3.22Å; E868-G870 VanDerWaalsContact O-N 3.16Å
869	L	97.9	Very high	97.7	Very high	41 Å²	41	25.7 Å²	25.7	22%	0.215	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	5.3	175.1	-63.9	172.7	0	0	0	113.6	R865 L867 L987 E988 F991 K995	R865-L869 HydrophobicContact CG-CD1 4.06Å; R865-L869 HydrophobicContact CG-CG 4.41Å; R865-L869 WeakPolarHBondContact O-CB 3.43Å; R865-L869 WeakPolarHBondContact O-CG 3.46Å; R865-L869 PolarHBondContact O-N 3.33Å; L867-L869 PolarHBondContact O-N 2.88Å; L869-L987 HydrophobicContact CD1-CD2 3.88Å; L869-L987 HydrophobicContact CD1-CG 3.84Å; L869-E988 HydrophobicContact CD1-CG 4.03Å; L869-E988 HydrophobicContact CD2-CG 4.01Å; L869-F991 HydrophobicContact CB-CD1 3.49Å; L869-F991 VanDerWaalsContact CB-CD1 3.49Å; L869-F991 HydrophobicContact CB-CE1 3.58Å; L869-F991 HydrophobicContact CB-CG 4.23Å; L869-F991 HydrophobicContact CB-CZ 4.41Å; L869-F991 HydrophobicContact CD1-CD1 4.33Å; L869-F991 HydrophobicContact CD1-CG 4.26Å; L869-F991 WeakPolarHBondContact O-CD1 3.36Å; L869-K995 PolarHBondContact O-NZ 2.99Å
870	G	97	Very high	97.1	Very high	18 Å²	18	30.5 Å²	30.5	19%	0.186	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	42.2	177	0	0	0	0	0	113.5	R841 T866 L867 E868 K995	R841-G870 PolarHBondContact NH1-O 3.06Å; T866-G870 PolarHBondContact O-N 3.17Å; L867-G870 PolarHBondContact O-N 3.05Å; E868-G870 PolarHBondContact O-N 3.22Å; E868-G870 VanDerWaalsContact O-N 3.16Å; G870-K995 PolarHBondContact O-NZ 2.71Å
871	G	98	Very high	96.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.			trans	-104.2	-156.8	171.9	0	0	0	0	0	112.7	R841 P842 T866	R841-G871 PolarHBondContact NH1-O 3Å; R841-G871 VanDerWaalsContact NH1-O 3.09Å; P842-G871 CarbonylContact O-C 3.56Å; P842-G871 WeakPolarHBondContact O-CA 3.45Å; T866-G871 WeakPolarHBondContact O-CA 3.44Å; T866-G871 PolarHBondContact O-N 3.22Å
872	Q	98.6	Very high	96.5	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	151.8	165.5	-63.2	179	-52.7	0	0	109.9	R829 S835 R841 P842 L843 V844 T866 D899 H900	R829-Q872 VanDerWaalsContact CZ-OE1 3.27Å; S835-Q872 PolarHBondContact O-NE2 2.72Å; R841-Q872 HydrophobicContact CG-CG 4.02Å; P842-Q872 PolarHBondContact O-N 3.03Å; L843-Q872 HydrophobicContact CD1-CB 3.69Å; V844-Q872 PolarHBondContact N-O 2.63Å; T866-Q872 VanDerWaalsContact CG2-O 3.24Å; T866-Q872 WeakPolarHBondContact CG2-O 3.49Å; Q872-D899 PolarHBondContact NE2-O 3.35Å; Q872-D899 VanDerWaalsContact NE2-O 3.17Å; Q872-H900 CarbonylContact C-O 3.52Å; Q872-H900 WeakPolarHBondContact CA-O 3.4Å; Q872-H900 WeakPolarHBondContact CB-O 3.46Å; Q872-H900 HydrophobicContact CG-CB 4.11Å
873	F	98.8	Very high	96.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.1	179.9	-159.9	-79.2	0	0	0	112.1	V844 C846 A862 I863 T866 L875 H900 V901 R902 I923	V844-F873 HydrophobicContact CB-CD2 3.88Å; V844-F873 HydrophobicContact CB-CE2 4.27Å; V844-F873 HydrophobicContact CG1-CD2 3.87Å; V844-F873 HydrophobicContact CG1-CE2 3.73Å; V844-F873 WeakPolarHBondContact O-CA 3.32Å; C846-F873 HydrophobicContact CB-CE1 4.09Å; C846-F873 HydrophobicContact CB-CZ 3.85Å; A862-F873 HydrophobicContact CB-CE2 3.9Å; A862-F873 HydrophobicContact CB-CZ 4.42Å; I863-F873 HydrophobicContact CD1-CE1 4.46Å; I863-F873 HydrophobicContact CG1-CD1 3.66Å; I863-F873 HydrophobicContact CG1-CD2 4.47Å; I863-F873 HydrophobicContact CG1-CE1 3.61Å; I863-F873 HydrophobicContact CG1-CE2 4.42Å; I863-F873 HydrophobicContact CG1-CG 4.11Å; I863-F873 HydrophobicContact CG1-CZ 4.01Å; T866-F873 HydrophobicContact CG2-CB 3.9Å; T866-F873 HydrophobicContact CG2-CD2 3.98Å; T866-F873 HydrophobicContact CG2-CG 4.47Å; F873-L875 HydrophobicContact CD1-CB 4.49Å; F873-L875 HydrophobicContact CE1-CB 4.04Å; F873-H900 PolarHBondContact N-O 3.22Å; F873-V901 HydrophobicContact CB-CG2 4.42Å; F873-V901 WeakPolarHBondContact O-CA 3.47Å; F873-R902 PolarHBondContact O-N 3.34Å; F873-I923 HydrophobicContact CE2-CD1 3.89Å; F873-I923 HydrophobicContact CZ-CD1 3.72Å; F873-I923 HydrophobicContact CZ-CG1 4.3Å
874	V	98.7	Very high	96.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	119.9	171	175.4	0	0	0	0	110.5	L832 L834 L843 V844 C846 R902 L904 I915	L832-V874 HydrophobicContact CD1-CB 4.48Å; L832-V874 HydrophobicContact CD1-CG1 3.84Å; L832-V874 HydrophobicContact CD1-CG2 3.7Å; L834-V874 HydrophobicContact CD1-CG2 3.74Å; L843-V874 HydrophobicContact CD1-CG2 3.91Å; V844-V874 PolarHBondContact O-N 3.45Å; C846-V874 PolarHBondContact N-O 3Å; V874-R902 WeakPolarHBondContact CA-O 3.43Å; V874-L904 HydrophobicContact CG1-CD1 4.24Å; V874-I915 HydrophobicContact CG1-CD1 3.69Å; V874-I915 HydrophobicContact CG1-CG1 3.94Å
875	L	98.6	Very high	96.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.9	171.5	-177.3	65.4	0	0	0	110.5	C846 L850 I859 F873 F888 R902 L903 L904 L905	C846-L875 HydrophobicContact CB-CD1 3.8Å; C846-L875 CarbonylContact O-C 3.24Å; C846-L875 WeakPolarHBondContact O-CA 3.4Å; L850-L875 HydrophobicContact CD1-CD2 4.38Å; L850-L875 HydrophobicContact CD2-CD1 4.42Å; L850-L875 HydrophobicContact CD2-CD2 4.35Å; I859-L875 HydrophobicContact CG2-CD1 4.04Å; F873-L875 HydrophobicContact CD1-CB 4.49Å; F873-L875 HydrophobicContact CE1-CB 4.04Å; L875-F888 HydrophobicContact CD2-CD1 3.43Å; L875-F888 VanDerWaalsContact CD2-CD1 3.43Å; L875-F888 HydrophobicContact CD2-CE1 3.61Å; L875-R902 PolarHBondContact N-O 3.21Å; L875-L903 HydrophobicContact CB-CB 4.47Å; L875-L903 HydrophobicContact CB-CG 4.05Å; L875-L903 HydrophobicContact CD2-CD2 4.02Å; L875-L903 HydrophobicContact CD2-CG 4.03Å; L875-L904 WeakPolarHBondContact O-CB 3.32Å; L875-L904 PolarHBondContact O-N 2.77Å; L875-L905 HydrophobicContact CD2-CD2 4.19Å
876	L	98.3	Very high	96.2	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.6	164	176.4	68.3	0	0	0	109.4	C846 I847 T848 L904 K906 D908 L911 I915	C846-L876 PolarHBondContact O-N 3.24Å; I847-L876 WeakPolarHBondContact CA-O 3.32Å; I847-L876 HydrophobicContact CG1-CB 4.2Å; I847-L876 HydrophobicContact CG1-CD2 4.39Å; I847-L876 HydrophobicContact CG2-CB 4.48Å; I847-L876 HydrophobicContact CG2-CD2 4.12Å; I847-L876 HydrophobicContact CG2-CG 4.44Å; T848-L876 PolarHBondContact N-O 2.84Å; T848-L876 VanDerWaalsContact N-O 3.09Å; L876-L904 HydrophobicContact CD1-CB 3.83Å; L876-K906 HydrophobicContact CD1-CG 4.21Å; L876-K906 WeakPolarHBondContact CD1-O 3.43Å; L876-D908 HydrophobicContact CD1-CB 4.18Å; L876-D908 WeakPolarHBondContact CD2-O 3.41Å; L876-L911 HydrophobicContact CD2-CB 4.08Å; L876-I915 HydrophobicContact CB-CD1 3.72Å; L876-I915 HydrophobicContact CD2-CD1 4.04Å; L876-I915 HydrophobicContact CG-CD1 4.45Å
877	G	95.6	Very high	96.2	Very high	6 Å²	6	44.6 Å²	44.6	6%	0.062	24%	0.236	C	C	.	.			trans	158.8	146	179.2	0	0	0	0	0	114.4	T848 L850 L904 L905 K906	T848-G877 WeakPolarHBondContact O-CA 3.15Å; L850-G877 WeakPolarHBondContact CD1-O 3.46Å; G877-L904 PolarHBondContact N-O 3.09Å; G877-L905 WeakPolarHBondContact O-CA 3.42Å; G877-L905 WeakPolarHBondContact O-CD2 3.36Å; G877-K906 PolarHBondContact N-O 3.13Å
878	S	92.5	Very high	96.2	Very high	47 Å²	47	42.2 Å²	42.2	33%	0.329	22%	0.224	S	C	.	.			trans	-114.4	165.4	173.8	59.6	0	0	0	0	111.6	L850	L850-S878 PolarHBondContact N-O 3.17Å
879	S	93.2	Very high	96.2	Very high	13 Å²	13	39.7 Å²	39.7	9%	0.091	21%	0.212	C	C	.	.			trans	-111.3	134.2	172.8	-167.9	0	0	0	0	112.1	L850 V881	L850-S879 WeakPolarHBondContact O-CB 3.43Å; L850-S879 PolarHBondContact O-OG 3.12Å; S879-V881 PolarHBondContact O-N 2.77Å; S879-V881 WeakPolarHBondContact OG-CB 3.34Å; S879-V881 PolarHBondContact OG-N 2.84Å; S879-V881 PolarHBondContact OG-O 2.67Å
880	P	86.4	Confident	96.2	Very high	101 Å²	101	39.9 Å²	39.9	66%	0.656	22%	0.224	S	C	*	.	S	Bend	trans	-74.4	-5.8	163.2	33.5	-34.9	0	0	0	112.5	V851 P882	V851-P880 HydrophobicContact CG1-CG 3.76Å; P880-P882 WeakPolarHBondContact O-CD 3.25Å
881	V	91.3	Very high	96.3	Very high	39 Å²	39	39.3 Å²	39.3	24%	0.236	22%	0.216	C	C	.	.	S	Bend	trans	-99.8	108.5	-177	-175.2	0	0	0	0	109.3	S879 H883 I884 Q885	S879-V881 PolarHBondContact O-N 2.77Å; S879-V881 WeakPolarHBondContact OG-CB 3.34Å; S879-V881 PolarHBondContact OG-N 2.84Å; S879-V881 PolarHBondContact OG-O 2.67Å; V881-H883 WeakPolarHBondContact CG1-CE1 3.2Å; V881-H883 PolarHBondContact O-N 3.13Å; V881-I884 HydrophobicContact CB-CB 4.36Å; V881-I884 HydrophobicContact CB-CD1 3.92Å; V881-I884 HydrophobicContact CB-CG1 4.09Å; V881-I884 HydrophobicContact CG1-CD1 4.06Å; V881-I884 HydrophobicContact CG1-CG1 4.02Å; V881-I884 HydrophobicContact CG2-CD1 4.23Å; V881-I884 PolarHBondContact O-N 2.67Å; V881-I884 VanDerWaalsContact O-N 3.07Å; V881-Q885 PolarHBondContact O-N 3Å; V881-Q885 VanDerWaalsContact O-N 3.09Å
882	P	93.2	Very high	96.2	Very high	93 Å²	93	42.7 Å²	42.7	60%	0.604	23%	0.232	S	C	*	.	H	α-helix	trans	-67	-3.6	-166.9	-25.4	35.9	0	0	0	116.8	P880 R886	P880-P882 WeakPolarHBondContact O-CD 3.25Å; P882-R886 VanDerWaalsContact O-CZ 3.25Å; P882-R886 PolarHBondContact O-NE 2.88Å; P882-R886 PolarHBondContact O-NH2 2.68Å
883	H	96.8	Very high	96.2	Very high	121 Å²	121	48 Å²	48	56%	0.56	26%	0.257	S	S	*	.	H	α-helix	trans	-93.5	-39.6	170.1	63.9	-104.3	0	0	0	112.3	V881 Q885 R886 E887	V881-H883 WeakPolarHBondContact CG1-CE1 3.2Å; V881-H883 PolarHBondContact O-N 3.13Å; H883-Q885 VanDerWaalsContact C-N 3.35Å; H883-R886 PolarHBondContact O-N 3.46Å; H883-E887 PolarHBondContact O-N 2.67Å
884	I	97.1	Very high	96.1	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-42	174.1	-54.6	177.8	0	0	0	109.7	L850 P852 V856 V881 R886 E887 F888	L850-I884 HydrophobicContact CB-CG2 4.05Å; P852-I884 HydrophobicContact CG-CD1 4.12Å; V856-I884 HydrophobicContact CB-CG2 4.37Å; V856-I884 HydrophobicContact CG1-CG2 4.12Å; V856-I884 HydrophobicContact CG2-CD1 4.25Å; V856-I884 HydrophobicContact CG2-CG2 4.46Å; V881-I884 HydrophobicContact CB-CB 4.36Å; V881-I884 HydrophobicContact CB-CD1 3.92Å; V881-I884 HydrophobicContact CB-CG1 4.09Å; V881-I884 HydrophobicContact CG1-CD1 4.06Å; V881-I884 HydrophobicContact CG1-CG1 4.02Å; V881-I884 HydrophobicContact CG2-CD1 4.23Å; V881-I884 PolarHBondContact O-N 2.67Å; V881-I884 VanDerWaalsContact O-N 3.07Å; I884-R886 PolarHBondContact O-N 3.28Å; I884-E887 WeakPolarHBondContact O-CB 3.34Å; I884-E887 PolarHBondContact O-N 3.25Å; I884-F888 HydrophobicContact CG2-CD2 3.92Å; I884-F888 HydrophobicContact CG2-CE2 3.98Å; I884-F888 WeakPolarHBondContact O-CD2 3.21Å; I884-F888 PolarHBondContact O-N 2.69Å; I884-F888 VanDerWaalsContact O-N 3.1Å
885	Q	96.7	Very high	96	Very high	32 Å²	32	54.2 Å²	54.2	15%	0.15	29%	0.286	C	S	.	.	H	α-helix	trans	-53.7	-50.7	175.7	-176.7	59.4	27.8	0	0	111.6	V881 H883 E887 F888 E889	V881-Q885 PolarHBondContact O-N 3Å; V881-Q885 VanDerWaalsContact O-N 3.09Å; H883-Q885 VanDerWaalsContact C-N 3.35Å; Q885-E887 PolarHBondContact O-N 3.16Å; Q885-F888 PolarHBondContact O-N 3.1Å; Q885-E889 VanDerWaalsContact CG-OE1 3.29Å; Q885-E889 WeakPolarHBondContact CG-OE1 3.45Å; Q885-E889 PolarHBondContact NE2-OE1 3.35Å; Q885-E889 VanDerWaalsContact O-CG 3.27Å; Q885-E889 WeakPolarHBondContact O-CG 3.4Å; Q885-E889 PolarHBondContact O-N 3.44Å
886	R	97.4	Very high	95.6	Very high	162 Å²	162	60 Å²	60	61%	0.611	31%	0.311	S	S	*	.	H	α-helix	trans	-66.3	-32.6	178.5	-83	178.3	-69	141.1	3.8	114.2	P882 H883 I884 E889 G890	P882-R886 VanDerWaalsContact O-CZ 3.25Å; P882-R886 PolarHBondContact O-NE 2.88Å; P882-R886 PolarHBondContact O-NH2 2.68Å; H883-R886 PolarHBondContact O-N 3.46Å; I884-R886 PolarHBondContact O-N 3.28Å; R886-E889 WeakPolarHBondContact CA-OE2 3.44Å; R886-G890 PolarHBondContact O-N 2.9Å; R886-G890 VanDerWaalsContact O-N 3.13Å
887	E	98	Very high	95.3	Very high	66 Å²	66	65 Å²	65	31%	0.308	35%	0.346	S	S	.	.	H	α-helix	trans	-61.2	-48.3	174.1	-178.9	177.9	-166.6	0	0	110.3	R860 H883 I884 Q885 G890 I891	R860-E887 WeakPolarHBondContact CD-OE1 3.41Å; R860-E887 IonicContact NE-OE1 2.72Å; H883-E887 PolarHBondContact O-N 2.67Å; I884-E887 WeakPolarHBondContact O-CB 3.34Å; I884-E887 PolarHBondContact O-N 3.25Å; Q885-E887 PolarHBondContact O-N 3.16Å; E887-G890 PolarHBondContact O-N 3.26Å; E887-I891 WeakPolarHBondContact O-CG1 3.25Å; E887-I891 PolarHBondContact O-N 3.48Å
888	F	98.2	Very high	95.3	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-72.7	-33.5	179.4	-80.2	-100.2	0	0	0	112.9	L850 V856 I859 R860 I863 L875 I884 Q885 G890 I891 E892 L903 L905	L850-F888 HydrophobicContact CD1-CB 4.09Å; L850-F888 HydrophobicContact CD1-CD1 3.89Å; L850-F888 HydrophobicContact CD1-CD2 4.16Å; L850-F888 HydrophobicContact CD1-CE1 4.38Å; L850-F888 HydrophobicContact CD1-CG 3.76Å; L850-F888 HydrophobicContact CD2-CD1 4.28Å; L850-F888 HydrophobicContact CD2-CE1 3.93Å; L850-F888 HydrophobicContact CD2-CE2 4.36Å; L850-F888 HydrophobicContact CD2-CZ 3.97Å; V856-F888 HydrophobicContact CB-CE2 4.14Å; V856-F888 HydrophobicContact CB-CZ 4.33Å; I859-F888 HydrophobicContact CB-CZ 4.44Å; I859-F888 HydrophobicContact CG2-CE1 4.04Å; I859-F888 HydrophobicContact CG2-CZ 4.27Å; R860-F888 HydrophobicContact CB-CZ 4.3Å; I863-F888 HydrophobicContact CD1-CE1 4.29Å; L875-F888 HydrophobicContact CD2-CD1 3.43Å; L875-F888 VanDerWaalsContact CD2-CD1 3.43Å; L875-F888 HydrophobicContact CD2-CE1 3.61Å; I884-F888 HydrophobicContact CG2-CD2 3.92Å; I884-F888 HydrophobicContact CG2-CE2 3.98Å; I884-F888 WeakPolarHBondContact O-CD2 3.21Å; I884-F888 PolarHBondContact O-N 2.69Å; I884-F888 VanDerWaalsContact O-N 3.1Å; Q885-F888 PolarHBondContact O-N 3.1Å; F888-G890 VanDerWaalsContact C-N 3.28Å; F888-G890 PolarHBondContact O-N 2.82Å; F888-I891 CarbonylContact O-C 3.53Å; F888-I891 PolarHBondContact O-N 2.96Å; F888-I891 VanDerWaalsContact O-N 3.08Å; F888-E892 PolarHBondContact O-N 3.23Å; F888-L903 HydrophobicContact CD1-CD2 4.05Å; F888-L905 VanDerWaalsContact C-CD1 3.43Å; F888-L905 HydrophobicContact CB-CD1 4.02Å; F888-L905 HydrophobicContact CB-CD2 3.92Å
889	E	98.1	Very high	95.6	Very high	84 Å²	84	69.2 Å²	69.2	39%	0.393	36%	0.362	S	S	.	.	H	α-helix	trans	-60.2	-36.8	171.9	-74.6	165.3	172.2	0	0	112.1	Q885 R886 E892 Q893 L905	Q885-E889 VanDerWaalsContact CG-OE1 3.29Å; Q885-E889 WeakPolarHBondContact CG-OE1 3.45Å; Q885-E889 PolarHBondContact NE2-OE1 3.35Å; Q885-E889 VanDerWaalsContact O-CG 3.27Å; Q885-E889 WeakPolarHBondContact O-CG 3.4Å; Q885-E889 PolarHBondContact O-N 3.44Å; R886-E889 WeakPolarHBondContact CA-OE2 3.44Å; E889-E892 PolarHBondContact O-N 3.39Å; E889-Q893 PolarHBondContact O-N 3.41Å; E889-L905 HydrophobicContact CB-CD1 4.23Å; E889-L905 HydrophobicContact CG-CD1 3.7Å
890	G	97.8	Very high	95.8	Very high	44 Å²	44	70.3 Å²	70.3	45%	0.454	37%	0.365	S	S	.	.	H	α-helix	trans	-62.6	-40.5	171.7	0	0	0	0	0	112.8	R886 E887 F888 Q894	R886-G890 PolarHBondContact O-N 2.9Å; R886-G890 VanDerWaalsContact O-N 3.13Å; E887-G890 PolarHBondContact O-N 3.26Å; F888-G890 VanDerWaalsContact C-N 3.28Å; F888-G890 PolarHBondContact O-N 2.82Å; G890-Q894 PolarHBondContact O-N 3.1Å
891	I	98.1	Very high	96.3	Very high	7 Å²	7	65.5 Å²	65.5	4%	0.036	33%	0.334	C	S	.	.	H	α-helix	trans	-70.9	-37.8	177.3	-58.7	166.9	0	0	0	110.9	R860 I863 E887 F888 Q894 F895 L903	R860-I891 HydrophobicContact CB-CD1 4.49Å; R860-I891 HydrophobicContact CG-CD1 3.86Å; I863-I891 HydrophobicContact CD1-CG2 4.19Å; I863-I891 HydrophobicContact CG2-CG2 4.46Å; E887-I891 WeakPolarHBondContact O-CG1 3.25Å; E887-I891 PolarHBondContact O-N 3.48Å; F888-I891 CarbonylContact O-C 3.53Å; F888-I891 PolarHBondContact O-N 2.96Å; F888-I891 VanDerWaalsContact O-N 3.08Å; I891-Q894 WeakPolarHBondContact O-CB 3.16Å; I891-Q894 PolarHBondContact O-N 3.05Å; I891-F895 HydrophobicContact CG2-CD2 3.79Å; I891-F895 HydrophobicContact CG2-CE2 3.92Å; I891-F895 WeakPolarHBondContact O-CD2 3.13Å; I891-F895 PolarHBondContact O-N 3.4Å; I891-F895 VanDerWaalsContact O-N 3.14Å; I891-L903 HydrophobicContact CB-CD2 3.81Å; I891-L903 HydrophobicContact CG2-CD1 4.03Å; I891-L903 HydrophobicContact CG2-CD2 3.64Å
892	E	97.8	Very high	96.7	Very high	70 Å²	70	64.9 Å²	64.9	33%	0.327	33%	0.327	S	S	.	.	H	α-helix	trans	-60.3	-48	174.2	-173.5	-170.4	141.7	0	0	110.5	F888 E889 Q894 F895 K896 L903 L905	F888-E892 PolarHBondContact O-N 3.23Å; E889-E892 PolarHBondContact O-N 3.39Å; E892-Q894 VanDerWaalsContact C-N 3.28Å; E892-Q894 PolarHBondContact O-N 3.3Å; E892-F895 CarbonylContact O-C 3.52Å; E892-F895 PolarHBondContact O-N 2.94Å; E892-F895 VanDerWaalsContact O-N 3.09Å; E892-K896 WeakPolarHBondContact O-CA 3.26Å; E892-K896 PolarHBondContact O-N 3.05Å; E892-L903 HydrophobicContact CB-CB 3.94Å; E892-L903 HydrophobicContact CB-CD2 4.43Å; E892-L903 HydrophobicContact CG-CB 4.07Å; E892-L905 HydrophobicContact CB-CD1 4.05Å; E892-L905 WeakPolarHBondContact OE2-CD1 3.3Å; E892-L905 VanDerWaalsContact OE2-CG 3.29Å; E892-L905 WeakPolarHBondContact OE2-CG 3.27Å
893	Q	96.6	Very high	96.9	Very high	113 Å²	113	60.6 Å²	60.6	53%	0.528	30%	0.299	S	S	.	.	H	α-helix	trans	-69.1	-24.3	178.7	-175.7	51.2	81	0	0	112.7	E889 K896	E889-Q893 PolarHBondContact O-N 3.41Å; Q893-K896 VanDerWaalsContact OE1-CD 3.27Å
894	Q	96.9	Very high	97	Very high	118 Å²	118	56.2 Å²	56.2	55%	0.551	28%	0.28	S	S	*	.	H	α-helix	trans	-66.8	-36.2	168.7	-178.1	178.8	-1	0	0	112.3	Y864 G890 I891 E892	Y864-Q894 PolarHBondContact OH-OE1 2.83Å; G890-Q894 PolarHBondContact O-N 3.1Å; I891-Q894 WeakPolarHBondContact O-CB 3.16Å; I891-Q894 PolarHBondContact O-N 3.05Å; E892-Q894 VanDerWaalsContact C-N 3.28Å; E892-Q894 PolarHBondContact O-N 3.3Å
895	F	96.6	Very high	97	Very high	13 Å²	13	57.2 Å²	57.2	6%	0.057	29%	0.285	C	S	.	.	H	α-helix	trans	-110	14	-173.9	-67.3	-65	0	0	0	114.9	I863 Y864 L867 I891 E892 S897 H898 V901 R902 L903	I863-F895 HydrophobicContact CG2-CD2 4.37Å; I863-F895 HydrophobicContact CG2-CE2 3.88Å; Y864-F895 HydrophobicContact CD1-CE2 4.38Å; Y864-F895 HydrophobicContact CD1-CZ 4.06Å; Y864-F895 AromaticContact CE1-CE2 3.76Å; Y864-F895 HydrophobicContact CE1-CE2 3.76Å; Y864-F895 AromaticContact CE1-CZ 3.71Å; Y864-F895 HydrophobicContact CE1-CZ 3.71Å; L867-F895 HydrophobicContact CD2-CE1 3.92Å; L867-F895 HydrophobicContact CD2-CZ 4.29Å; I891-F895 HydrophobicContact CG2-CD2 3.79Å; I891-F895 HydrophobicContact CG2-CE2 3.92Å; I891-F895 WeakPolarHBondContact O-CD2 3.13Å; I891-F895 PolarHBondContact O-N 3.4Å; I891-F895 VanDerWaalsContact O-N 3.14Å; E892-F895 CarbonylContact O-C 3.52Å; E892-F895 PolarHBondContact O-N 2.94Å; E892-F895 VanDerWaalsContact O-N 3.09Å; F895-S897 VanDerWaalsContact C-N 3.28Å; F895-S897 PolarHBondContact O-N 2.97Å; F895-H898 HydrophobicContact CB-CB 4.12Å; F895-H898 HydrophobicContact CD1-CB 3.93Å; F895-H898 AromaticContact CD1-CG 3.78Å; F895-H898 AromaticContact CD1-ND1 3.54Å; F895-H898 AromaticContact CE1-ND1 3.97Å; F895-H898 WeakPolarHBondContact O-CB 3.41Å; F895-H898 PolarHBondContact O-N 3.15Å; F895-V901 HydrophobicContact CB-CB 3.97Å; F895-V901 HydrophobicContact CB-CG1 3.79Å; F895-V901 HydrophobicContact CD1-CB 3.83Å; F895-V901 HydrophobicContact CD1-CG1 4.11Å; F895-V901 HydrophobicContact CD1-CG2 4.22Å; F895-V901 HydrophobicContact CD2-CB 4.26Å; F895-V901 HydrophobicContact CD2-CG1 3.61Å; F895-V901 HydrophobicContact CE1-CB 4.34Å; F895-V901 HydrophobicContact CE1-CG2 4.24Å; F895-V901 HydrophobicContact CE2-CG1 4.15Å; F895-V901 HydrophobicContact CG-CB 3.77Å; F895-V901 HydrophobicContact CG-CG1 3.57Å; F895-R902 PolarHBondContact O-NH1 3.44Å; F895-L903 HydrophobicContact CD2-CD1 4.49Å
896	K	91.7	Very high	96.8	Very high	123 Å²	123	59.9 Å²	59.9	54%	0.535	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-36.4	-167.1	-170.1	163.5	-173.7	158.7	0	116.6	E892 Q893	E892-K896 WeakPolarHBondContact O-CA 3.26Å; E892-K896 PolarHBondContact O-N 3.05Å; Q893-K896 VanDerWaalsContact OE1-CD 3.27Å
897	S	90.9	Very high	96.2	Very high	108 Å²	108	60 Å²	60	76%	0.755	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.2	31.6	175.8	66.7	0	0	0	0	111.8	F895	F895-S897 VanDerWaalsContact C-N 3.28Å; F895-S897 PolarHBondContact O-N 2.97Å
898	H	96.8	Very high	95.9	Very high	56 Å²	56	59.1 Å²	59.1	26%	0.259	30%	0.295	S	S	.	.			trans	-82.8	137	179.9	-175.8	-121.1	0	0	0	111.2	F895 H900 V901 R902	F895-H898 HydrophobicContact CB-CB 4.12Å; F895-H898 HydrophobicContact CD1-CB 3.93Å; F895-H898 AromaticContact CD1-CG 3.78Å; F895-H898 AromaticContact CD1-ND1 3.54Å; F895-H898 AromaticContact CE1-ND1 3.97Å; F895-H898 WeakPolarHBondContact O-CB 3.41Å; F895-H898 PolarHBondContact O-N 3.15Å; H898-H900 AromaticContact CE1-ND1 3.88Å; H898-H900 AromaticContact NE2-ND1 3.92Å; H898-H900 PolarHBondContact O-N 2.89Å; H898-H900 VanDerWaalsContact O-N 3.13Å; H898-V901 PolarHBondContact ND1-N 3.3Å; H898-R902 PolarHBondContact O-NH1 3.07Å; H898-R902 PolarHBondContact O-NH2 3.29Å
899	D	97	Very high	95.4	Very high	86 Å²	86	62.4 Å²	62.4	46%	0.46	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.2	-177.2	-69.3	18.5	0	0	0	115.1	L834 S835 Q872	L834-D899 CarbonylContact C-O 3.38Å; L834-D899 WeakPolarHBondContact CA-O 3.38Å; S835-D899 PolarHBondContact N-O 3.12Å; Q872-D899 PolarHBondContact NE2-O 3.35Å; Q872-D899 VanDerWaalsContact NE2-O 3.17Å
900	H	97.8	Very high	95.1	Very high	36 Å²	36	60.2 Å²	60.2	17%	0.167	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-7.7	-168.3	-51.3	104.9	0	0	0	115	R841 L867 Q872 F873 H898	R841-H900 PolarHBondContact NH1-CD2 2.71Å; L867-H900 HydrophobicContact CD1-CB 3.93Å; Q872-H900 CarbonylContact C-O 3.52Å; Q872-H900 WeakPolarHBondContact CA-O 3.4Å; Q872-H900 WeakPolarHBondContact CB-O 3.46Å; Q872-H900 HydrophobicContact CG-CB 4.11Å; F873-H900 PolarHBondContact N-O 3.22Å; H898-H900 AromaticContact CE1-ND1 3.88Å; H898-H900 AromaticContact NE2-ND1 3.92Å; H898-H900 PolarHBondContact O-N 2.89Å; H898-H900 VanDerWaalsContact O-N 3.13Å
901	V	98.6	Very high	95	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	127.5	-174.8	177.7	0	0	0	0	110.1	I863 L867 F873 F895 H898 L903	I863-V901 HydrophobicContact CG2-CG1 3.71Å; L867-V901 HydrophobicContact CB-CG2 4.48Å; L867-V901 HydrophobicContact CD2-CG2 4.39Å; F873-V901 HydrophobicContact CB-CG2 4.42Å; F873-V901 WeakPolarHBondContact O-CA 3.47Å; F895-V901 HydrophobicContact CB-CB 3.97Å; F895-V901 HydrophobicContact CB-CG1 3.79Å; F895-V901 HydrophobicContact CD1-CB 3.83Å; F895-V901 HydrophobicContact CD1-CG1 4.11Å; F895-V901 HydrophobicContact CD1-CG2 4.22Å; F895-V901 HydrophobicContact CD2-CB 4.26Å; F895-V901 HydrophobicContact CD2-CG1 3.61Å; F895-V901 HydrophobicContact CE1-CB 4.34Å; F895-V901 HydrophobicContact CE1-CG2 4.24Å; F895-V901 HydrophobicContact CE2-CG1 4.15Å; F895-V901 HydrophobicContact CG-CB 3.77Å; F895-V901 HydrophobicContact CG-CG1 3.57Å; H898-V901 PolarHBondContact ND1-N 3.3Å; V901-L903 HydrophobicContact CG1-CD1 3.73Å
902	R	98.4	Very high	94.9	Very high	27 Å²	27	59.1 Å²	59.1	10%	0.102	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	134.4	171.2	-160.8	70	67.4	-112.6	-3.2	110.9	L832 G833 L834 F873 V874 L875 F895 H898 L904	L832-R902 HydrophobicContact CB-CG 4.37Å; L832-R902 HydrophobicContact CD1-CB 4.37Å; L832-R902 VanDerWaalsContact O-CZ 3.23Å; L832-R902 PolarHBondContact O-NE 3.17Å; L832-R902 PolarHBondContact O-NH2 2.67Å; G833-R902 PolarHBondContact O-NH2 3.43Å; L834-R902 HydrophobicContact CD2-CB 4.33Å; F873-R902 PolarHBondContact O-N 3.34Å; V874-R902 WeakPolarHBondContact CA-O 3.43Å; L875-R902 PolarHBondContact N-O 3.21Å; F895-R902 PolarHBondContact O-NH1 3.44Å; H898-R902 PolarHBondContact O-NH1 3.07Å; H898-R902 PolarHBondContact O-NH2 3.29Å; R902-L904 HydrophobicContact CG-CD2 4.22Å
903	L	98.4	Very high	94.9	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.016	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	142.5	170.7	-74	71.3	0	0	0	108.2	I863 L875 F888 I891 E892 F895 V901 L905	I863-L903 HydrophobicContact CD1-CD1 4.36Å; I863-L903 HydrophobicContact CD1-CD2 4.24Å; I863-L903 HydrophobicContact CD1-CG 4.48Å; L875-L903 HydrophobicContact CB-CB 4.47Å; L875-L903 HydrophobicContact CB-CG 4.05Å; L875-L903 HydrophobicContact CD2-CD2 4.02Å; L875-L903 HydrophobicContact CD2-CG 4.03Å; F888-L903 HydrophobicContact CD1-CD2 4.05Å; I891-L903 HydrophobicContact CB-CD2 3.81Å; I891-L903 HydrophobicContact CG2-CD1 4.03Å; I891-L903 HydrophobicContact CG2-CD2 3.64Å; E892-L903 HydrophobicContact CB-CB 3.94Å; E892-L903 HydrophobicContact CB-CD2 4.43Å; E892-L903 HydrophobicContact CG-CB 4.07Å; F895-L903 HydrophobicContact CD2-CD1 4.49Å; V901-L903 HydrophobicContact CG1-CD1 3.73Å; L903-L905 HydrophobicContact CB-CD2 4.25Å; L903-L905 HydrophobicContact CB-CG 4.45Å; L903-L905 HydrophobicContact CD2-CD2 4.41Å
904	L	97.6	Very high	95	Very high	28 Å²	28	51.8 Å²	51.8	15%	0.147	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	86.5	-177	-59.1	168.4	0	0	0	107.7	L832 V874 L875 L876 G877 R902 K906 L911 I915	L832-L904 HydrophobicContact CD1-CD1 4.32Å; L832-L904 HydrophobicContact CD2-CD1 4.02Å; L832-L904 HydrophobicContact CD2-CD2 4.18Å; V874-L904 HydrophobicContact CG1-CD1 4.24Å; L875-L904 WeakPolarHBondContact O-CB 3.32Å; L875-L904 PolarHBondContact O-N 2.77Å; L876-L904 HydrophobicContact CD1-CB 3.83Å; G877-L904 PolarHBondContact N-O 3.09Å; R902-L904 HydrophobicContact CG-CD2 4.22Å; L904-K906 PolarHBondContact O-N 3.38Å; L904-L911 HydrophobicContact CD1-CD1 4.26Å; L904-L911 HydrophobicContact CD1-CD2 4.18Å; L904-I915 HydrophobicContact CD1-CD1 4.24Å
905	L	96.9	Very high	95.1	Very high	26 Å²	26	46.2 Å²	46.2	14%	0.136	23%	0.233	C	C	.	.			trans	-83.1	53	-165.2	-57.6	-178.1	0	0	0	114.2	L850 L875 G877 F888 E889 E892 L903	L850-L905 HydrophobicContact CD1-CD2 4.12Å; L875-L905 HydrophobicContact CD2-CD2 4.19Å; G877-L905 WeakPolarHBondContact O-CA 3.42Å; G877-L905 WeakPolarHBondContact O-CD2 3.36Å; F888-L905 VanDerWaalsContact C-CD1 3.43Å; F888-L905 HydrophobicContact CB-CD1 4.02Å; F888-L905 HydrophobicContact CB-CD2 3.92Å; E889-L905 HydrophobicContact CB-CD1 4.23Å; E889-L905 HydrophobicContact CG-CD1 3.7Å; E892-L905 HydrophobicContact CB-CD1 4.05Å; E892-L905 WeakPolarHBondContact OE2-CD1 3.3Å; E892-L905 VanDerWaalsContact OE2-CG 3.29Å; E892-L905 WeakPolarHBondContact OE2-CG 3.27Å; L903-L905 HydrophobicContact CB-CD2 4.25Å; L903-L905 HydrophobicContact CB-CG 4.45Å; L903-L905 HydrophobicContact CD2-CD2 4.41Å
906	K	93	Very high	95.1	Very high	87 Å²	87	46 Å²	46	38%	0.378	23%	0.232	S	C	.	.	S	Bend	trans	-143	168.2	-177.3	58.3	169.3	177.6	167.3	0	111.2	L876 G877 L904 D908	L876-K906 HydrophobicContact CD1-CG 4.21Å; L876-K906 WeakPolarHBondContact CD1-O 3.43Å; G877-K906 PolarHBondContact N-O 3.13Å; L904-K906 PolarHBondContact O-N 3.38Å; K906-D908 HydrophobicContact CD-CB 4.07Å; K906-D908 WeakPolarHBondContact CE-OD2 3.27Å; K906-D908 HydrophobicContact CG-CB 4.38Å; K906-D908 IonicContact NZ-OD2 2.65Å; K906-D908 PolarHBondContact NZ-OD2 3.16Å
907	Y	85.9	Confident	95.5	Very high	166 Å²	166	40.1 Å²	40.1	65%	0.651	21%	0.206	S	C	*	.			trans	-87.3	135	156.8	179.3	-99.2	0	0	0	109
908	D	90.5	Very high	95.8	Very high	47 Å²	47	35 Å²	35	25%	0.251	17%	0.17	S	C	.	.			trans	-158.8	115.1	177.9	-168.1	-58.4	0	0	0	109.2	L876 K906 A910 L911 S912	L876-D908 HydrophobicContact CD1-CB 4.18Å; L876-D908 WeakPolarHBondContact CD2-O 3.41Å; K906-D908 HydrophobicContact CD-CB 4.07Å; K906-D908 WeakPolarHBondContact CE-OD2 3.27Å; K906-D908 HydrophobicContact CG-CB 4.38Å; K906-D908 IonicContact NZ-OD2 2.65Å; K906-D908 PolarHBondContact NZ-OD2 3.16Å; D908-A910 PolarHBondContact OD1-N 2.87Å; D908-L911 HydrophobicContact CB-CB 3.99Å; D908-L911 HydrophobicContact CB-CD1 4.21Å; D908-L911 WeakPolarHBondContact OD1-CB 3.4Å; D908-L911 PolarHBondContact OD1-N 2.92Å; D908-S912 PolarHBondContact O-N 2.99Å
909	E	87.7	Confident	95.9	Very high	68 Å²	68	32.3 Å²	32.3	32%	0.318	16%	0.158	S	C	.	.	H	α-helix	trans	-70.7	-52.3	-172.3	-169.7	161.6	-127.5	0	0	111.4	L911 S912 H913	E909-L911 VanDerWaalsContact C-N 3.31Å; E909-L911 PolarHBondContact O-N 2.89Å; E909-S912 WeakPolarHBondContact O-CA 3.46Å; E909-S912 WeakPolarHBondContact O-CB 3.32Å; E909-S912 PolarHBondContact O-N 3.49Å; E909-S912 PolarHBondContact O-OG 3.39Å; E909-H913 PolarHBondContact O-CD2 3.39Å; E909-H913 PolarHBondContact O-N 2.99Å
910	A	92.5	Very high	96	Very high	39 Å²	39	28.4 Å²	28.4	32%	0.322	14%	0.137	S	C	.	.	H	α-helix	trans	-60.7	-36.7	179.9	0	0	0	0	0	113.1	F808 D908 S912 T914	F808-A910 HydrophobicContact CB-CB 4.48Å; F808-A910 HydrophobicContact CD1-CB 3.52Å; F808-A910 HydrophobicContact CE1-CB 4Å; F808-A910 HydrophobicContact CG-CB 4.21Å; D908-A910 PolarHBondContact OD1-N 2.87Å; A910-S912 VanDerWaalsContact C-N 3.3Å; A910-S912 PolarHBondContact O-N 2.63Å; A910-T914 PolarHBondContact O-N 3.43Å; A910-T914 PolarHBondContact O-OG1 3.32Å; A910-T914 VanDerWaalsContact O-OG1 3.04Å
911	L	96.1	Very high	96	Very high	14 Å²	14	26.7 Å²	26.7	7%	0.073	13%	0.129	C	C	.	.	H	α-helix	trans	-66.4	-30.5	171.8	-92.7	163.8	0	0	0	112.8	L828 L876 L904 D908 E909 T914 I915	L828-L911 HydrophobicContact CD1-CD2 4.13Å; L876-L911 HydrophobicContact CD2-CB 4.08Å; L904-L911 HydrophobicContact CD1-CD1 4.26Å; L904-L911 HydrophobicContact CD1-CD2 4.18Å; D908-L911 HydrophobicContact CB-CB 3.99Å; D908-L911 HydrophobicContact CB-CD1 4.21Å; D908-L911 WeakPolarHBondContact OD1-CB 3.4Å; D908-L911 PolarHBondContact OD1-N 2.92Å; E909-L911 VanDerWaalsContact C-N 3.31Å; E909-L911 PolarHBondContact O-N 2.89Å; L911-T914 WeakPolarHBondContact CA-OG1 3.34Å; L911-T914 PolarHBondContact O-OG1 3.34Å; L911-I915 WeakPolarHBondContact O-CB 3.5Å; L911-I915 VanDerWaalsContact O-CD1 3.28Å; L911-I915 WeakPolarHBondContact O-CD1 3.42Å; L911-I915 WeakPolarHBondContact O-CG1 3.41Å; L911-I915 PolarHBondContact O-N 3.27Å
912	S	95.8	Very high	96	Very high	13 Å²	13	26.8 Å²	26.8	9%	0.091	13%	0.13	C	C	.	.	H	α-helix	trans	-66.5	-46.9	177.7	77.5	0	0	0	0	112	I847 D908 E909 A910 I915 Y916	I847-S912 WeakPolarHBondContact CD1-O 3.3Å; D908-S912 PolarHBondContact O-N 2.99Å; E909-S912 WeakPolarHBondContact O-CA 3.46Å; E909-S912 WeakPolarHBondContact O-CB 3.32Å; E909-S912 PolarHBondContact O-N 3.49Å; E909-S912 PolarHBondContact O-OG 3.39Å; A910-S912 VanDerWaalsContact C-N 3.3Å; A910-S912 PolarHBondContact O-N 2.63Å; S912-I915 PolarHBondContact O-N 2.64Å; S912-Y916 WeakPolarHBondContact O-CD2 3.43Å; S912-Y916 PolarHBondContact O-N 3.04Å
913	H	97.4	Very high	96	Very high	9 Å²	9	25.6 Å²	25.6	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-57.8	-50.5	175.6	-76.6	-107	0	0	0	111.8	W801 D806 F808 L809 E909 I915 Y916 A917	W801-H913 AromaticContact CE3-CE1 3.61Å; W801-H913 AromaticContact CE3-ND1 3.87Å; W801-H913 AromaticContact CH2-CD2 3.66Å; W801-H913 AromaticContact CH2-CE1 3.79Å; W801-H913 AromaticContact CH2-NE2 3.33Å; W801-H913 VanDerWaalsContact CH2-NE2 3.33Å; W801-H913 WeakPolarHBondContact CH2-NE2 3.22Å; W801-H913 AromaticContact CZ2-NE2 3.89Å; W801-H913 AromaticContact CZ3-CD2 3.6Å; W801-H913 AromaticContact CZ3-CE1 3.42Å; W801-H913 VanDerWaalsContact CZ3-CE1 3.42Å; W801-H913 WeakPolarHBondContact CZ3-CE1 3.34Å; W801-H913 AromaticContact CZ3-CG 3.73Å; W801-H913 AromaticContact CZ3-ND1 3.62Å; W801-H913 AromaticContact CZ3-NE2 3.41Å; W801-H913 WeakPolarHBondContact CZ3-NE2 3.22Å; D806-H913 VanDerWaalsContact CG-ND1 3.3Å; D806-H913 IonicContact OD1-CE1 2.7Å; D806-H913 IonicContact OD1-CG 2.76Å; D806-H913 IonicContact OD1-ND1 3.42Å; D806-H913 PolarHBondContact OD1-ND1 3.43Å; D806-H913 IonicContact OD2-CE1 3.33Å; D806-H913 IonicContact OD2-CG 3.81Å; D806-H913 IonicContact OD2-ND1 3.16Å; D806-H913 PolarHBondContact OD2-ND1 3.4Å; F808-H913 HydrophobicContact CB-CB 3.72Å; F808-H913 HydrophobicContact CD2-CB 4.21Å; F808-H913 AromaticContact CD2-CD2 3.6Å; F808-H913 AromaticContact CD2-CE1 3.72Å; F808-H913 AromaticContact CD2-CG 3.6Å; F808-H913 AromaticContact CD2-ND1 3.67Å; F808-H913 AromaticContact CD2-NE2 3.69Å; F808-H913 AromaticContact CE2-NE2 3.76Å; F808-H913 HydrophobicContact CG-CB 4.31Å; L809-H913 HydrophobicContact CD2-CB 4.43Å; E909-H913 PolarHBondContact O-CD2 3.39Å; E909-H913 PolarHBondContact O-N 2.99Å; H913-I915 VanDerWaalsContact C-N 3.33Å; H913-I915 PolarHBondContact O-N 3.33Å; H913-Y916 PolarHBondContact O-N 3.22Å; H913-A917 PolarHBondContact O-N 2.98Å
914	T	98	Very high	96	Very high	20 Å²	20	25.8 Å²	25.8	12%	0.123	13%	0.126	C	C	.	.	H	α-helix	trans	-64.9	-31.8	178.8	50.9	0	0	0	0	113.5	F808 L809 A910 L911 A918	F808-T914 WeakPolarHBondContact O-CG2 3.43Å; L809-T914 HydrophobicContact CD2-CG2 4.3Å; A910-T914 PolarHBondContact O-N 3.43Å; A910-T914 PolarHBondContact O-OG1 3.32Å; A910-T914 VanDerWaalsContact O-OG1 3.04Å; L911-T914 WeakPolarHBondContact CA-OG1 3.34Å; L911-T914 PolarHBondContact O-OG1 3.34Å; T914-A918 WeakPolarHBondContact O-CB 3.36Å; T914-A918 PolarHBondContact O-N 3.11Å
915	I	98.6	Very high	96	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-69.2	-42.1	172.9	-71.3	163.5	0	0	0	111.7	L828 I847 V874 L876 L904 L911 S912 H913 A918 S919	L828-I915 HydrophobicContact CD1-CG1 4.36Å; L828-I915 HydrophobicContact CD2-CB 4.44Å; L828-I915 HydrophobicContact CD2-CG1 3.78Å; I847-I915 HydrophobicContact CD1-CB 3.95Å; I847-I915 HydrophobicContact CD1-CG2 3.76Å; I847-I915 HydrophobicContact CG1-CB 4.35Å; I847-I915 HydrophobicContact CG1-CG2 3.88Å; V874-I915 HydrophobicContact CG1-CD1 3.69Å; V874-I915 HydrophobicContact CG1-CG1 3.94Å; L876-I915 HydrophobicContact CB-CD1 3.72Å; L876-I915 HydrophobicContact CD2-CD1 4.04Å; L876-I915 HydrophobicContact CG-CD1 4.45Å; L904-I915 HydrophobicContact CD1-CD1 4.24Å; L911-I915 WeakPolarHBondContact O-CB 3.5Å; L911-I915 VanDerWaalsContact O-CD1 3.28Å; L911-I915 WeakPolarHBondContact O-CD1 3.42Å; L911-I915 WeakPolarHBondContact O-CG1 3.41Å; L911-I915 PolarHBondContact O-N 3.27Å; S912-I915 PolarHBondContact O-N 2.64Å; H913-I915 VanDerWaalsContact C-N 3.33Å; H913-I915 PolarHBondContact O-N 3.33Å; I915-A918 PolarHBondContact O-N 3.36Å; I915-S919 WeakPolarHBondContact O-CB 3.45Å; I915-S919 PolarHBondContact O-N 3.29Å; I915-S919 PolarHBondContact O-OG 3.15Å
916	Y	98.6	Very high	96	Very high	7 Å²	7	23.4 Å²	23.4	3%	0.027	11%	0.114	C	C	.	.	H	α-helix	trans	-61.8	-42.9	175.4	-73.7	-62.2	0	0	0	112.2	W801 I847 S912 H913 F922 T934 I937 A938	W801-Y916 HydrophobicContact CH2-CE2 4.2Å; W801-Y916 AromaticContact CZ3-CD2 3.84Å; W801-Y916 HydrophobicContact CZ3-CD2 3.84Å; W801-Y916 AromaticContact CZ3-CE2 3.9Å; W801-Y916 HydrophobicContact CZ3-CE2 3.9Å; I847-Y916 HydrophobicContact CD1-CD1 4.04Å; I847-Y916 HydrophobicContact CD1-CD2 3.67Å; I847-Y916 HydrophobicContact CD1-CE1 3.84Å; I847-Y916 HydrophobicContact CD1-CE2 3.44Å; I847-Y916 VanDerWaalsContact CD1-CE2 3.44Å; I847-Y916 HydrophobicContact CD1-CG 3.96Å; S912-Y916 WeakPolarHBondContact O-CD2 3.43Å; S912-Y916 PolarHBondContact O-N 3.04Å; H913-Y916 PolarHBondContact O-N 3.22Å; Y916-F922 AromaticContact CD1-CD2 3.97Å; Y916-F922 HydrophobicContact CD1-CD2 3.97Å; Y916-F922 AromaticContact CD1-CE2 3.76Å; Y916-F922 HydrophobicContact CD1-CE2 3.76Å; Y916-F922 HydrophobicContact CD1-CZ 4.38Å; Y916-F922 AromaticContact CE1-CD2 3.91Å; Y916-F922 HydrophobicContact CE1-CD2 3.91Å; Y916-F922 HydrophobicContact CE1-CE1 4.24Å; Y916-F922 AromaticContact CE1-CE2 3.36Å; Y916-F922 HydrophobicContact CE1-CE2 3.36Å; Y916-F922 AromaticContact CE1-CZ 3.54Å; Y916-F922 HydrophobicContact CE1-CZ 3.54Å; Y916-T934 WeakPolarHBondContact CE1-O 3.33Å; Y916-T934 WeakPolarHBondContact OH-CB 3.36Å; Y916-T934 WeakPolarHBondContact OH-CG2 3.45Å; Y916-I937 HydrophobicContact CD1-CB 4.5Å; Y916-I937 HydrophobicContact CD1-CG2 3.94Å; Y916-I937 HydrophobicContact CD2-CG2 3.47Å; Y916-I937 VanDerWaalsContact CD2-CG2 3.47Å; Y916-I937 HydrophobicContact CE1-CB 4.14Å; Y916-I937 HydrophobicContact CE1-CG2 3.95Å; Y916-I937 HydrophobicContact CE2-CB 4.24Å; Y916-I937 HydrophobicContact CE2-CG2 3.5Å; Y916-I937 VanDerWaalsContact CE2-CG2 3.5Å; Y916-I937 HydrophobicContact CG-CG2 3.7Å; Y916-A938 HydrophobicContact CD1-CB 4.06Å; Y916-A938 HydrophobicContact CE1-CB 4.18Å
917	A	98.5	Very high	96.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.2	-47.4	174.3	0	0	0	0	0	112.2	L809 F813 K821 N824 H913 Y941	L809-A917 HydrophobicContact CD1-CB 4.01Å; L809-A917 HydrophobicContact CD2-CB 3.49Å; L809-A917 VanDerWaalsContact CD2-CB 3.49Å; L809-A917 HydrophobicContact CG-CB 4.39Å; F813-A917 HydrophobicContact CE1-CB 3.74Å; F813-A917 HydrophobicContact CZ-CB 4.22Å; K821-A917 VanDerWaalsContact CG-O 3.24Å; K821-A917 WeakPolarHBondContact CG-O 3.26Å; K821-A917 PolarHBondContact NZ-O 2.9Å; N824-A917 HydrophobicContact CB-CB 3.85Å; H913-A917 PolarHBondContact O-N 2.98Å; A917-Y941 HydrophobicContact CB-CD1 4.09Å
918	A	98.3	Very high	96.3	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-73	-29.1	-174	0	0	0	0	0	115	K825 L828 L843 T914 I915	K825-A918 HydrophobicContact CB-CB 4.32Å; K825-A918 WeakPolarHBondContact CB-O 3.49Å; K825-A918 WeakPolarHBondContact CD-O 3.33Å; K825-A918 WeakPolarHBondContact CG-O 3.26Å; L828-A918 HydrophobicContact CB-CB 3.76Å; L828-A918 HydrophobicContact CD2-CB 3.42Å; L828-A918 VanDerWaalsContact CD2-CB 3.42Å; L828-A918 HydrophobicContact CG-CB 4.23Å; L843-A918 HydrophobicContact CD2-CB 4.13Å; T914-A918 WeakPolarHBondContact O-CB 3.36Å; T914-A918 PolarHBondContact O-N 3.11Å; I915-A918 PolarHBondContact O-N 3.36Å
919	S	98.3	Very high	96.3	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.007	8%	0.083	C	C	.	.			trans	-76.1	139.3	-174.3	42.7	0	0	0	0	112.7	K821 I915 S943	K821-S919 WeakPolarHBondContact CE-O 3.18Å; K821-S919 PolarHBondContact NZ-O 2.6Å; I915-S919 WeakPolarHBondContact O-CB 3.45Å; I915-S919 PolarHBondContact O-N 3.29Å; I915-S919 PolarHBondContact O-OG 3.15Å; S919-S943 WeakPolarHBondContact O-CB 3.41Å; S919-S943 PolarHBondContact O-OG 3.43Å; S919-S943 PolarHBondContact OG-OG 3Å; S919-S943 VanDerWaalsContact OG-OG 3.12Å
920	D	98.5	Very high	96.3	Very high	4 Å²	4	12.5 Å²	12.5	2%	0.021	7%	0.07	C	C	.	.	S	Bend	trans	-81.2	-37.1	169.2	-56.1	-79.7	0	0	0	110.1	K825 P842 L843 I944 Y994 W1001	K825-D920 VanDerWaalsContact CE-OD2 3.25Å; K825-D920 WeakPolarHBondContact CE-OD2 3.38Å; K825-D920 VanDerWaalsContact NZ-CG 3.26Å; K825-D920 IonicContact NZ-OD1 2.76Å; K825-D920 PolarHBondContact NZ-OD1 2.91Å; K825-D920 IonicContact NZ-OD2 3.31Å; K825-D920 PolarHBondContact NZ-OD2 3.19Å; P842-D920 WeakPolarHBondContact CA-OD2 3.47Å; L843-D920 PolarHBondContact N-OD2 3.37Å; L843-D920 PolarHBondContact O-N 2.71Å; D920-I944 PolarHBondContact O-N 2.83Å; D920-Y994 HydrophobicContact CB-CD2 4.06Å; D920-Y994 HydrophobicContact CB-CE2 3.67Å; D920-Y994 VanDerWaalsContact CG-CE2 3.42Å; D920-Y994 WeakPolarHBondContact OD1-CE2 3.34Å; D920-Y994 PolarHBondContact OD1-OH 2.69Å; D920-W1001 WeakPolarHBondContact O-CZ2 3.18Å
921	L	98.8	Very high	96.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142.1	-175.3	-68.7	171.4	0	0	0	110.4	L843 V844 G845 S943 I944 I946 A990 F991 W1001	L843-L921 PolarHBondContact O-N 3.41Å; V844-L921 CarbonylContact C-O 3.59Å; V844-L921 WeakPolarHBondContact CA-O 3.31Å; V844-L921 HydrophobicContact CG1-CB 4.49Å; V844-L921 HydrophobicContact CG2-CB 4.19Å; V844-L921 HydrophobicContact CG2-CD1 4.26Å; G845-L921 PolarHBondContact N-O 2.91Å; L921-S943 PolarHBondContact N-OG 3.48Å; L921-I944 CarbonylContact C-O 3.03Å; L921-I944 WeakPolarHBondContact CA-O 3.44Å; L921-I944 HydrophobicContact CD2-CB 4.24Å; L921-I946 HydrophobicContact CB-CD1 4.39Å; L921-I946 HydrophobicContact CD1-CD1 4.31Å; L921-I946 HydrophobicContact CD2-CD1 4.17Å; L921-I946 HydrophobicContact CD2-CG1 4.34Å; L921-A990 HydrophobicContact CD1-CB 4.07Å; L921-A990 HydrophobicContact CD2-CB 3.83Å; L921-F991 HydrophobicContact CD1-CD2 3.65Å; L921-F991 HydrophobicContact CD1-CE2 3.55Å; L921-W1001 HydrophobicContact CD2-CH2 3.61Å; L921-W1001 HydrophobicContact CD2-CZ2 4.24Å; L921-W1001 HydrophobicContact CG-CH2 4.43Å
922	F	98.8	Very high	95.4	Very high	1 Å²	1	10.5 Å²	10.5	0%	0.004	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	127	177.8	-166	-84.6	0	0	0	112.3	G845 I847 Y916 I924 A938 I944 P945 I946	G845-F922 WeakPolarHBondContact O-CA 3.29Å; I847-F922 HydrophobicContact CB-CE2 4.11Å; I847-F922 HydrophobicContact CB-CZ 3.88Å; I847-F922 HydrophobicContact CD1-CE2 3.8Å; I847-F922 HydrophobicContact CD1-CZ 4.31Å; I847-F922 HydrophobicContact CG1-CE2 3.87Å; I847-F922 HydrophobicContact CG1-CZ 4.18Å; I847-F922 VanDerWaalsContact N-CZ 3.26Å; Y916-F922 AromaticContact CD1-CD2 3.97Å; Y916-F922 HydrophobicContact CD1-CD2 3.97Å; Y916-F922 AromaticContact CD1-CE2 3.76Å; Y916-F922 HydrophobicContact CD1-CE2 3.76Å; Y916-F922 HydrophobicContact CD1-CZ 4.38Å; Y916-F922 AromaticContact CE1-CD2 3.91Å; Y916-F922 HydrophobicContact CE1-CD2 3.91Å; Y916-F922 HydrophobicContact CE1-CE1 4.24Å; Y916-F922 AromaticContact CE1-CE2 3.36Å; Y916-F922 HydrophobicContact CE1-CE2 3.36Å; Y916-F922 AromaticContact CE1-CZ 3.54Å; Y916-F922 HydrophobicContact CE1-CZ 3.54Å; F922-I924 HydrophobicContact CD1-CD1 3.86Å; F922-I924 HydrophobicContact CD1-CG1 3.92Å; F922-I924 HydrophobicContact CE1-CD1 4.45Å; F922-I924 HydrophobicContact CE1-CG1 4.01Å; F922-A938 HydrophobicContact CB-CB 3.64Å; F922-A938 HydrophobicContact CD1-CB 4.09Å; F922-A938 HydrophobicContact CD2-CB 4.26Å; F922-A938 HydrophobicContact CG-CB 3.74Å; F922-I944 PolarHBondContact N-O 3.25Å; F922-P945 CarbonylContact O-C 3.52Å; F922-P945 WeakPolarHBondContact O-CA 3.33Å; F922-I946 PolarHBondContact O-N 2.93Å
923	I	98.7	Very high	95.1	Very high	3 Å²	3	11.4 Å²	11.4	2%	0.015	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	135.7	-175.6	69.3	164.7	0	0	0	113.4	V844 G845 C846 I859 A862 F873 P925 I946 F983	V844-I923 HydrophobicContact CG1-CG2 3.7Å; G845-I923 PolarHBondContact O-N 3.31Å; C846-I923 HydrophobicContact CB-CD1 4.25Å; C846-I923 HydrophobicContact CB-CG1 3.74Å; I859-I923 HydrophobicContact CG1-CD1 4.4Å; A862-I923 HydrophobicContact CB-CD1 3.52Å; F873-I923 HydrophobicContact CE2-CD1 3.89Å; F873-I923 HydrophobicContact CZ-CD1 3.72Å; F873-I923 HydrophobicContact CZ-CG1 4.3Å; I923-P925 HydrophobicContact CD1-CG 4.41Å; I923-I946 WeakPolarHBondContact CA-O 3.41Å; I923-I946 HydrophobicContact CG2-CB 4.28Å; I923-I946 HydrophobicContact CG2-CD1 4.39Å; I923-F983 HydrophobicContact CB-CE2 4.39Å; I923-F983 HydrophobicContact CD1-CZ 4.48Å; I923-F983 HydrophobicContact CG2-CE2 4.13Å; I923-F983 HydrophobicContact CG2-CZ 4.05Å
924	I	98.1	Very high	94.9	Very high	7 Å²	7	12.3 Å²	12.3	4%	0.036	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	72.9	171.6	-37.7	87	0	0	0	110.5	F922 S926 Q935 P945 I946 A947 R948 L953	F922-I924 HydrophobicContact CD1-CD1 3.86Å; F922-I924 HydrophobicContact CD1-CG1 3.92Å; F922-I924 HydrophobicContact CE1-CD1 4.45Å; F922-I924 HydrophobicContact CE1-CG1 4.01Å; I924-S926 PolarHBondContact O-N 3Å; I924-Q935 HydrophobicContact CD1-CB 3.63Å; I924-Q935 HydrophobicContact CG1-CB 4.1Å; I924-P945 HydrophobicContact CD1-CB 3.87Å; I924-I946 PolarHBondContact N-O 3.41Å; I924-A947 HydrophobicContact CB-CB 4.46Å; I924-A947 HydrophobicContact CD1-CB 4.22Å; I924-R948 PolarHBondContact O-N 3.07Å; I924-L953 HydrophobicContact CB-CD1 4.18Å; I924-L953 HydrophobicContact CB-CD2 4.27Å; I924-L953 HydrophobicContact CG2-CD1 3.78Å; I924-L953 HydrophobicContact CG2-CD2 3.98Å
925	P	98	Very high	94.9	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.013	6%	0.06	C	C	.	.			trans	-85.8	38.9	-173.1	38.1	-38.5	0	0	0	113.2	L858 I859 I923 F975 F983	L858-P925 HydrophobicContact CB-CB 3.78Å; L858-P925 HydrophobicContact CB-CG 4.13Å; L858-P925 HydrophobicContact CD1-CB 4.01Å; I859-P925 HydrophobicContact CD1-CG 4.46Å; I859-P925 HydrophobicContact CG1-CG 3.6Å; I923-P925 HydrophobicContact CD1-CG 4.41Å; P925-F975 HydrophobicContact CB-CZ 3.88Å; P925-F983 HydrophobicContact CB-CD2 4.44Å
926	S	96.4	Very high	94.8	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.007	6%	0.06	C	C	.	.			trans	-63.3	140.1	-170.5	-66.4	0	0	0	0	114	Q853 I924 E929 R948	Q853-S926 CarbonylContact O-C 3.6Å; Q853-S926 WeakPolarHBondContact O-CA 3.33Å; I924-S926 PolarHBondContact O-N 3Å; S926-E929 WeakPolarHBondContact CB-OE2 3.43Å; S926-E929 PolarHBondContact OG-OE2 3.05Å; S926-R948 PolarHBondContact O-NE 3.01Å; S926-R948 PolarHBondContact O-NH2 2.93Å
927	I	94	Very high	94.7	Very high	75 Å²	75	11.6 Å²	11.6	39%	0.385	6%	0.062	S	C	.	.	S	Bend	trans	-70.2	-34.3	172.6	-54	-56.1	0	0	0	110.6	P852 Q853 R948 A978	P852-I927 VanDerWaalsContact O-CG1 3.28Å; P852-I927 WeakPolarHBondContact O-CG1 3.45Å; Q853-I927 PolarHBondContact O-N 2.78Å; I927-R948 PolarHBondContact O-NH2 3.09Å; I927-A978 HydrophobicContact CD1-CB 3.91Å
928	F	90.1	Very high	94.7	Very high	45 Å²	45	11.6 Å²	11.6	20%	0.197	6%	0.062	C	C	.	.			trans	-153.5	144.9	160.6	68.3	-84	0	0	0	109.7	Q853 P930	Q853-F928 HydrophobicContact CB-CD1 4.48Å; Q853-F928 HydrophobicContact CB-CE1 3.92Å; Q853-F928 HydrophobicContact CB-CZ 4.13Å; Q853-F928 HydrophobicContact CG-CD1 3.98Å; Q853-F928 HydrophobicContact CG-CD2 4.23Å; Q853-F928 HydrophobicContact CG-CE1 3.69Å; Q853-F928 HydrophobicContact CG-CE2 3.96Å; Q853-F928 HydrophobicContact CG-CG 4.23Å; Q853-F928 HydrophobicContact CG-CZ 3.68Å; Q853-F928 WeakPolarHBondContact CG-O 3.16Å; Q853-F928 PolarHBondContact NE2-O 2.73Å; Q853-F928 VanDerWaalsContact NE2-O 3.1Å; F928-P930 HydrophobicContact CD2-CG 4.38Å; F928-P930 HydrophobicContact CE2-CG 4.47Å
929	E	90.4	Very high	94.7	Very high	12 Å²	12	11.6 Å²	11.6	6%	0.056	6%	0.062	C	C	.	.			trans	-139.5	100	-176.7	-166.6	70.4	-121.3	0	0	110.4	K854 S926 C931 T950 G951 G952 L953	K854-E929 IonicContact NZ-OE1 2.7Å; K854-E929 PolarHBondContact NZ-OE1 2.8Å; K854-E929 IonicContact NZ-OE2 3.9Å; K854-E929 PolarHBondContact NZ-OE2 3.05Å; S926-E929 WeakPolarHBondContact CB-OE2 3.43Å; S926-E929 PolarHBondContact OG-OE2 3.05Å; E929-C931 PolarHBondContact O-N 3Å; E929-C931 VanDerWaalsContact O-N 3.07Å; E929-T950 HydrophobicContact CB-CG2 4.42Å; E929-G951 CarbonylContact O-C 3.6Å; E929-G951 VanDerWaalsContact O-CA 3.31Å; E929-G951 WeakPolarHBondContact O-CA 3.42Å; E929-G952 PolarHBondContact O-N 2.83Å; E929-L953 HydrophobicContact CB-CD1 3.75Å; E929-L953 HydrophobicContact CB-CG 3.86Å; E929-L953 HydrophobicContact CG-CD1 4.04Å; E929-L953 HydrophobicContact CG-CD2 4.25Å; E929-L953 HydrophobicContact CG-CG 3.9Å
930	P	89.2	Confident	94.7	Very high	7 Å²	7	14.1 Å²	14.1	5%	0.045	7%	0.071	C	C	.	.	S	Bend	trans	-53.8	-34.8	-174.9	-30.6	36.8	0	0	0	114.3	H707 N708 V761 S762 Y765 F928	H707-P930 WeakPolarHBondContact O-CB 3.47Å; H707-P930 WeakPolarHBondContact O-CG 3.23Å; N708-P930 HydrophobicContact CB-CG 4.14Å; V761-P930 HydrophobicContact CG2-CB 3.65Å; S762-P930 VanDerWaalsContact CB-O 3.3Å; S762-P930 WeakPolarHBondContact CB-O 3.34Å; S762-P930 PolarHBondContact OG-O 2.94Å; Y765-P930 WeakPolarHBondContact CB-O 3.1Å; Y765-P930 HydrophobicContact CD1-CB 3.74Å; Y765-P930 HydrophobicContact CD2-CB 4.27Å; Y765-P930 HydrophobicContact CD2-CG 4.47Å; Y765-P930 HydrophobicContact CE1-CB 3.62Å; Y765-P930 HydrophobicContact CE1-CG 4.07Å; Y765-P930 HydrophobicContact CE2-CB 4.17Å; Y765-P930 HydrophobicContact CE2-CG 3.99Å; Y765-P930 HydrophobicContact CG-CB 4.07Å; F928-P930 HydrophobicContact CD2-CG 4.38Å; F928-P930 HydrophobicContact CE2-CG 4.47Å
931	C	89.4	Confident	94.7	Very high	5 Å²	5	14 Å²	14	3%	0.034	7%	0.07	C	C	.	.	S	Bend	trans	-142.9	-60.3	169.6	-179	0	0	0	0	110.7	V761 E929 Q935 G952	V761-C931 HydrophobicContact CB-CB 3.83Å; V761-C931 HydrophobicContact CG2-CB 3.72Å; V761-C931 VanDerWaalsContact O-CB 3.28Å; V761-C931 WeakPolarHBondContact O-CB 3.28Å; V761-C931 PolarHBondContact O-SG 2.86Å; V761-C931 VanDerWaalsContact O-SG 3.34Å; E929-C931 PolarHBondContact O-N 3Å; E929-C931 VanDerWaalsContact O-N 3.07Å; C931-Q935 PolarHBondContact O-NE2 3.02Å; C931-G952 CarbonylContact O-C 3.43Å; C931-G952 VanDerWaalsContact O-C 3.24Å; C931-G952 VanDerWaalsContact O-CA 3.27Å; C931-G952 WeakPolarHBondContact O-CA 3.5Å
932	G	79.9	Confident	94.7	Very high	7 Å²	7	14 Å²	14	7%	0.072	7%	0.07	C	C	.	.			trans	78.8	133.8	-165.9	0	0	0	0	0	110.5	Q935	G932-Q935 PolarHBondContact O-NE2 3.24Å; G932-Q935 PolarHBondContact O-OE1 3.2Å
933	L	89.2	Confident	94.6	Very high	31 Å²	31	13.9 Å²	13.9	16%	0.162	7%	0.07	C	C	.	.	S	Bend	trans	-114.2	-23.9	171	-55.9	177.7	0	0	0	111.3	D562 N794 I796 Q935 M936 I937	D562-L933 HydrophobicContact CB-CD1 4.18Å; N794-L933 HydrophobicContact CB-CD2 3.91Å; I796-L933 HydrophobicContact CG2-CB 4.26Å; I796-L933 HydrophobicContact CG2-CD2 4.25Å; L933-Q935 VanDerWaalsContact C-N 3.27Å; L933-Q935 PolarHBondContact O-N 3.01Å; L933-M936 HydrophobicContact CD2-SD 4.48Å; L933-M936 WeakPolarHBondContact O-CB 3.42Å; L933-M936 PolarHBondContact O-N 3.25Å; L933-M936 VanDerWaalsContact O-N 3.1Å; L933-I937 WeakPolarHBondContact O-CG1 3.27Å; L933-I937 PolarHBondContact O-N 3.07Å
934	T	94	Very high	94.6	Very high	28 Å²	28	13.8 Å²	13.8	17%	0.172	7%	0.069	C	C	.	.	H	α-helix	trans	-63.7	-30.4	-173.9	52.3	0	0	0	0	112.8	Y916 A938	Y916-T934 WeakPolarHBondContact CE1-O 3.33Å; Y916-T934 WeakPolarHBondContact OH-CB 3.36Å; Y916-T934 WeakPolarHBondContact OH-CG2 3.45Å; T934-A938 VanDerWaalsContact O-CB 3.25Å; T934-A938 WeakPolarHBondContact O-CB 3.31Å; T934-A938 PolarHBondContact O-N 2.72Å
935	Q	96.4	Very high	94.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-73.9	-36.8	175	78.9	-67.7	-0.8	0	0	112.2	I924 C931 G932 L933 A938 M939 P945 L953 S956 V957	I924-Q935 HydrophobicContact CD1-CB 3.63Å; I924-Q935 HydrophobicContact CG1-CB 4.1Å; C931-Q935 PolarHBondContact O-NE2 3.02Å; G932-Q935 PolarHBondContact O-NE2 3.24Å; G932-Q935 PolarHBondContact O-OE1 3.2Å; L933-Q935 VanDerWaalsContact C-N 3.27Å; L933-Q935 PolarHBondContact O-N 3.01Å; Q935-A938 PolarHBondContact O-N 2.87Å; Q935-M939 HydrophobicContact CB-CE 4.48Å; Q935-M939 HydrophobicContact CG-CE 4.18Å; Q935-M939 WeakPolarHBondContact O-CB 3.19Å; Q935-M939 VanDerWaalsContact O-CE 3.29Å; Q935-M939 WeakPolarHBondContact O-CE 3.26Å; Q935-M939 VanDerWaalsContact O-CG 3.27Å; Q935-M939 WeakPolarHBondContact O-CG 3.17Å; Q935-M939 PolarHBondContact O-N 2.71Å; Q935-P945 HydrophobicContact CB-CB 4.33Å; Q935-L953 HydrophobicContact CB-CD2 4.21Å; Q935-L953 HydrophobicContact CG-CD2 3.8Å; Q935-S956 PolarHBondContact NE2-OG 2.96Å; Q935-V957 HydrophobicContact CB-CG2 3.94Å; Q935-V957 HydrophobicContact CG-CG2 3.7Å
936	M	96.8	Very high	94.7	Very high	3 Å²	3	13.3 Å²	13.3	2%	0.015	7%	0.067	C	C	.	.	H	α-helix	trans	-68.1	-43.1	175.1	-62.6	168.3	179.4	0	0	110.6	L793 N794 I796 L933 M939 R940 F1013	L793-M936 HydrophobicContact CD1-CE 3.84Å; L793-M936 HydrophobicContact CD2-CE 3.89Å; L793-M936 HydrophobicContact CG-CE 3.74Å; N794-M936 WeakPolarHBondContact O-CE 3.25Å; I796-M936 HydrophobicContact CD1-CB 4.27Å; I796-M936 HydrophobicContact CG2-CB 3.75Å; I796-M936 HydrophobicContact CG2-SD 4.02Å; L933-M936 HydrophobicContact CD2-SD 4.48Å; L933-M936 WeakPolarHBondContact O-CB 3.42Å; L933-M936 PolarHBondContact O-N 3.25Å; L933-M936 VanDerWaalsContact O-N 3.1Å; M936-M939 PolarHBondContact O-N 2.77Å; M936-R940 VanDerWaalsContact O-CB 3.24Å; M936-R940 WeakPolarHBondContact O-CB 3.34Å; M936-R940 PolarHBondContact O-N 3.31Å; M936-F1013 HydrophobicContact CB-CB 4.31Å; M936-F1013 HydrophobicContact CB-CD1 3.88Å; M936-F1013 HydrophobicContact CB-CE1 4.4Å; M936-F1013 HydrophobicContact CB-CG 4.08Å; M936-F1013 HydrophobicContact CG-CD1 3.77Å; M936-F1013 HydrophobicContact CG-CE1 4.2Å; M936-F1013 HydrophobicContact CG-CG 4.43Å
937	I	96.7	Very high	94.8	Very high	11 Å²	11	13.3 Å²	13.3	6%	0.056	7%	0.067	C	C	.	.	H	α-helix	trans	-63.1	-46.7	174.3	-60.8	164.3	0	0	0	110.5	I796 W801 Y916 L933 M939 R940 Y941	I796-I937 HydrophobicContact CD1-CG1 4.12Å; I796-I937 HydrophobicContact CG2-CG1 4.22Å; W801-I937 HydrophobicContact CD2-CD1 3.89Å; W801-I937 HydrophobicContact CD2-CG1 3.97Å; W801-I937 HydrophobicContact CD2-CG2 3.88Å; W801-I937 HydrophobicContact CE3-CB 4.46Å; W801-I937 HydrophobicContact CE3-CD1 4.24Å; W801-I937 HydrophobicContact CE3-CG1 4.28Å; W801-I937 HydrophobicContact CE3-CG2 3.33Å; W801-I937 HydrophobicContact CG-CD1 4.39Å; W801-I937 HydrophobicContact CG-CG1 4.12Å; W801-I937 HydrophobicContact CG-CG2 4.49Å; W801-I937 HydrophobicContact CH2-CD1 4.3Å; W801-I937 HydrophobicContact CZ2-CD1 3.95Å; W801-I937 HydrophobicContact CZ3-CD1 4.43Å; W801-I937 HydrophobicContact CZ3-CG2 3.73Å; Y916-I937 HydrophobicContact CD1-CB 4.5Å; Y916-I937 HydrophobicContact CD1-CG2 3.94Å; Y916-I937 HydrophobicContact CD2-CG2 3.47Å; Y916-I937 VanDerWaalsContact CD2-CG2 3.47Å; Y916-I937 HydrophobicContact CE1-CB 4.14Å; Y916-I937 HydrophobicContact CE1-CG2 3.95Å; Y916-I937 HydrophobicContact CE2-CB 4.24Å; Y916-I937 HydrophobicContact CE2-CG2 3.5Å; Y916-I937 VanDerWaalsContact CE2-CG2 3.5Å; Y916-I937 HydrophobicContact CG-CG2 3.7Å; L933-I937 WeakPolarHBondContact O-CG1 3.27Å; L933-I937 PolarHBondContact O-N 3.07Å; I937-M939 PolarHBondContact O-N 3.3Å; I937-R940 PolarHBondContact O-N 2.86Å; I937-Y941 HydrophobicContact CG2-CD2 4.06Å; I937-Y941 HydrophobicContact CG2-CE2 4.12Å; I937-Y941 VanDerWaalsContact O-CD2 3.23Å; I937-Y941 WeakPolarHBondContact O-CD2 3.45Å; I937-Y941 PolarHBondContact O-N 2.86Å
938	A	98.4	Very high	95	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-56.3	-48.9	176.5	0	0	0	0	0	111.9	Y916 F922 T934 Q935 R940 Y941 G942 S943	Y916-A938 HydrophobicContact CD1-CB 4.06Å; Y916-A938 HydrophobicContact CE1-CB 4.18Å; F922-A938 HydrophobicContact CB-CB 3.64Å; F922-A938 HydrophobicContact CD1-CB 4.09Å; F922-A938 HydrophobicContact CD2-CB 4.26Å; F922-A938 HydrophobicContact CG-CB 3.74Å; T934-A938 VanDerWaalsContact O-CB 3.25Å; T934-A938 WeakPolarHBondContact O-CB 3.31Å; T934-A938 PolarHBondContact O-N 2.72Å; Q935-A938 PolarHBondContact O-N 2.87Å; A938-R940 PolarHBondContact O-N 3.32Å; A938-Y941 CarbonylContact O-C 3.6Å; A938-Y941 PolarHBondContact O-N 3.39Å; A938-Y941 VanDerWaalsContact O-N 3.16Å; A938-G942 PolarHBondContact O-N 2.9Å; A938-G942 VanDerWaalsContact O-N 3.15Å; A938-S943 CarbonylContact C-O 3.56Å; A938-S943 PolarHBondContact O-N 2.92Å; A938-S943 VanDerWaalsContact O-O 3.13Å
939	M	98.5	Very high	95.3	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-61.2	-44.3	177.1	-74.6	-172.2	-76.2	0	0	112.9	Q935 M936 I937 Y941 G942 P945 S956 V957 N971 V1008 F1013	Q935-M939 HydrophobicContact CB-CE 4.48Å; Q935-M939 HydrophobicContact CG-CE 4.18Å; Q935-M939 WeakPolarHBondContact O-CB 3.19Å; Q935-M939 VanDerWaalsContact O-CE 3.29Å; Q935-M939 WeakPolarHBondContact O-CE 3.26Å; Q935-M939 VanDerWaalsContact O-CG 3.27Å; Q935-M939 WeakPolarHBondContact O-CG 3.17Å; Q935-M939 PolarHBondContact O-N 2.71Å; M936-M939 PolarHBondContact O-N 2.77Å; I937-M939 PolarHBondContact O-N 3.3Å; M939-Y941 PolarHBondContact O-N 3.49Å; M939-G942 PolarHBondContact O-N 3.34Å; M939-P945 HydrophobicContact CE-CG 4.44Å; M939-P945 HydrophobicContact CG-CG 3.68Å; M939-P945 HydrophobicContact SD-CG 3.82Å; M939-S956 WeakPolarHBondContact CE-O 3.47Å; M939-V957 HydrophobicContact CE-CG2 4.33Å; M939-N971 HydrophobicContact SD-CB 3.95Å; M939-N971 VanDerWaalsContact SD-CG 3.54Å; M939-N971 PolarHBondContact SD-ND2 2.78Å; M939-V1008 HydrophobicContact CB-CG1 3.41Å; M939-V1008 VanDerWaalsContact CB-CG1 3.41Å; M939-V1008 HydrophobicContact CG-CG1 3.4Å; M939-V1008 VanDerWaalsContact CG-CG1 3.4Å; M939-V1008 HydrophobicContact SD-CG1 4.05Å; M939-F1013 HydrophobicContact CB-CE2 3.56Å; M939-F1013 HydrophobicContact CB-CZ 3.48Å; M939-F1013 VanDerWaalsContact CB-CZ 3.48Å; M939-F1013 HydrophobicContact CE-CE1 3.57Å; M939-F1013 HydrophobicContact CE-CZ 3.56Å; M939-F1013 HydrophobicContact CG-CZ 4.19Å; M939-F1013 HydrophobicContact SD-CE1 4.28Å; M939-F1013 HydrophobicContact SD-CZ 3.72Å
940	R	98	Very high	95.5	Very high	55 Å²	55	10.8 Å²	10.8	21%	0.208	5%	0.053	C	C	.	.	H	α-helix	trans	-58.3	-30	175.1	177.9	57.9	167.9	177.6	-3.2	113	I796 T798 W801 N802 P803 M936 I937 A938 F1013	I796-R940 HydrophobicContact CD1-CB 4.18Å; I796-R940 HydrophobicContact CD1-CG 4.29Å; T798-R940 PolarHBondContact O-NH2 2.88Å; T798-R940 VanDerWaalsContact O-NH2 3.11Å; W801-R940 WeakPolarHBondContact O-CG 3.31Å; W801-R940 PolarHBondContact O-NE 2.99Å; W801-R940 VanDerWaalsContact O-NE 3.15Å; N802-R940 PolarHBondContact OD1-NH2 3.38Å; P803-R940 WeakPolarHBondContact CG-O 3.28Å; M936-R940 VanDerWaalsContact O-CB 3.24Å; M936-R940 WeakPolarHBondContact O-CB 3.34Å; M936-R940 PolarHBondContact O-N 3.31Å; I937-R940 PolarHBondContact O-N 2.86Å; A938-R940 PolarHBondContact O-N 3.32Å; R940-F1013 HydrophobicContact CB-CD2 4.23Å
941	Y	98.5	Very high	95.7	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	12.6	176.3	-75.4	-118.4	0	0	0	112.7	W801 N802 P803 D806 L809 F813 K821 A917 I937 A938 M939 S943	W801-Y941 WeakPolarHBondContact CA-OH 3.14Å; W801-Y941 HydrophobicContact CB-CE2 4.03Å; W801-Y941 HydrophobicContact CE3-CE2 4.03Å; N802-Y941 PolarHBondContact N-OH 3.44Å; P803-Y941 HydrophobicContact CB-CD1 4.06Å; P803-Y941 HydrophobicContact CB-CE1 4.2Å; P803-Y941 HydrophobicContact CB-CG 4.38Å; D806-Y941 VanDerWaalsContact OD2-CE1 3.24Å; D806-Y941 WeakPolarHBondContact OD2-CE1 3.37Å; D806-Y941 VanDerWaalsContact OD2-CZ 3.32Å; D806-Y941 PolarHBondContact OD2-OH 3.04Å; L809-Y941 HydrophobicContact CD1-CE1 4.11Å; L809-Y941 HydrophobicContact CD2-CE1 4.45Å; F813-Y941 WeakPolarHBondContact CE2-O 3.49Å; F813-Y941 HydrophobicContact CZ-CD1 4.46Å; F813-Y941 WeakPolarHBondContact CZ-O 3.48Å; K821-Y941 PolarHBondContact NZ-O 3.05Å; A917-Y941 HydrophobicContact CB-CD1 4.09Å; I937-Y941 HydrophobicContact CG2-CD2 4.06Å; I937-Y941 HydrophobicContact CG2-CE2 4.12Å; I937-Y941 VanDerWaalsContact O-CD2 3.23Å; I937-Y941 WeakPolarHBondContact O-CD2 3.45Å; I937-Y941 PolarHBondContact O-N 2.86Å; A938-Y941 CarbonylContact O-C 3.6Å; A938-Y941 PolarHBondContact O-N 3.39Å; A938-Y941 VanDerWaalsContact O-N 3.16Å; M939-Y941 PolarHBondContact O-N 3.49Å; Y941-S943 PolarHBondContact O-N 3.11Å
942	G	98.2	Very high	95.9	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	16.6	176.6	0	0	0	0	0	114.9	K821 A938 M939 M1009	K821-G942 WeakPolarHBondContact CE-O 3.23Å; A938-G942 PolarHBondContact O-N 2.9Å; A938-G942 VanDerWaalsContact O-N 3.15Å; M939-G942 PolarHBondContact O-N 3.34Å; G942-M1009 VanDerWaalsContact CA-CG 3.41Å
943	S	98.7	Very high	96.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.046	C	C	.	.	P	Polyproline II helix	trans	-93.6	116	172.4	-175.7	0	0	0	0	109.4	S919 L921 A938 Y941	S919-S943 WeakPolarHBondContact O-CB 3.41Å; S919-S943 PolarHBondContact O-OG 3.43Å; S919-S943 PolarHBondContact OG-OG 3Å; S919-S943 VanDerWaalsContact OG-OG 3.12Å; L921-S943 PolarHBondContact N-OG 3.48Å; A938-S943 CarbonylContact C-O 3.56Å; A938-S943 PolarHBondContact O-N 2.92Å; A938-S943 VanDerWaalsContact O-O 3.13Å; Y941-S943 PolarHBondContact O-N 3.11Å
944	I	98.7	Very high	97.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	126	-168.7	-56.1	-54.3	0	0	0	110.6	D920 L921 F922 F973 W1001 L1004 V1005 V1008	D920-I944 PolarHBondContact O-N 2.83Å; L921-I944 CarbonylContact C-O 3.03Å; L921-I944 WeakPolarHBondContact CA-O 3.44Å; L921-I944 HydrophobicContact CD2-CB 4.24Å; F922-I944 PolarHBondContact N-O 3.25Å; I944-F973 HydrophobicContact CG2-CD2 4.01Å; I944-F973 HydrophobicContact CG2-CE2 3.84Å; I944-W1001 HydrophobicContact CB-CH2 3.68Å; I944-W1001 HydrophobicContact CB-CZ2 3.93Å; I944-W1001 HydrophobicContact CG1-CH2 3.53Å; I944-W1001 HydrophobicContact CG1-CZ2 3.42Å; I944-W1001 VanDerWaalsContact CG1-CZ2 3.42Å; I944-W1001 HydrophobicContact CG1-CZ3 4.43Å; I944-W1001 HydrophobicContact CG2-CH2 4.12Å; I944-L1004 HydrophobicContact CD1-CD2 4.32Å; I944-L1004 HydrophobicContact CD1-CG 3.97Å; I944-L1004 HydrophobicContact CG1-CD2 4.22Å; I944-L1004 HydrophobicContact CG1-CG 4.38Å; I944-L1004 HydrophobicContact CG2-CD2 4.15Å; I944-V1005 HydrophobicContact CD1-CG2 4.15Å; I944-V1005 HydrophobicContact CG1-CG2 4.27Å; I944-V1008 HydrophobicContact CD1-CB 3.99Å; I944-V1008 HydrophobicContact CD1-CG1 3.97Å; I944-V1008 HydrophobicContact CD1-CG2 4.04Å
945	P	98.6	Very high	97.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	145.7	-173.5	30	-36.3	0	0	0	113	F922 I924 Q935 M939 V957 F973	F922-P945 CarbonylContact O-C 3.52Å; F922-P945 WeakPolarHBondContact O-CA 3.33Å; I924-P945 HydrophobicContact CD1-CB 3.87Å; Q935-P945 HydrophobicContact CB-CB 4.33Å; M939-P945 HydrophobicContact CE-CG 4.44Å; M939-P945 HydrophobicContact CG-CG 3.68Å; M939-P945 HydrophobicContact SD-CG 3.82Å; P945-V957 HydrophobicContact CB-CG1 4.18Å; P945-V957 HydrophobicContact CB-CG2 4.11Å; P945-V957 HydrophobicContact CG-CG1 3.76Å; P945-V957 HydrophobicContact CG-CG2 3.98Å; P945-F973 PolarHBondContact O-N 3.17Å
946	I	98.8	Very high	97.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	101.1	167	-50.3	178.9	0	0	0	107.3	L921 F922 I923 I924 F973 F983 A986 L987 A990	L921-I946 HydrophobicContact CB-CD1 4.39Å; L921-I946 HydrophobicContact CD1-CD1 4.31Å; L921-I946 HydrophobicContact CD2-CD1 4.17Å; L921-I946 HydrophobicContact CD2-CG1 4.34Å; F922-I946 PolarHBondContact O-N 2.93Å; I923-I946 WeakPolarHBondContact CA-O 3.41Å; I923-I946 HydrophobicContact CG2-CB 4.28Å; I923-I946 HydrophobicContact CG2-CD1 4.39Å; I924-I946 PolarHBondContact N-O 3.41Å; I946-F973 WeakPolarHBondContact CA-O 3.31Å; I946-F973 HydrophobicContact CG1-CB 4.27Å; I946-F973 HydrophobicContact CG1-CD2 4.42Å; I946-F973 HydrophobicContact CG2-CB 4.38Å; I946-F983 HydrophobicContact CG2-CE2 4.33Å; I946-A986 HydrophobicContact CG2-CB 3.85Å; I946-L987 HydrophobicContact CD1-CD1 3.48Å; I946-L987 VanDerWaalsContact CD1-CD1 3.48Å; I946-A990 HydrophobicContact CD1-CB 3.71Å; I946-A990 HydrophobicContact CG1-CB 4.26Å
947	A	98.5	Very high	97.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	150.9	-167.3	0	0	0	0	0	113	I924 L953 V957 F973 T974 F975	I924-A947 HydrophobicContact CB-CB 4.46Å; I924-A947 HydrophobicContact CD1-CB 4.22Å; A947-L953 HydrophobicContact CB-CB 4.25Å; A947-L953 HydrophobicContact CB-CD1 4.39Å; A947-L953 HydrophobicContact CB-CD2 4.45Å; A947-V957 HydrophobicContact CB-CB 3.94Å; A947-V957 HydrophobicContact CB-CG1 3.98Å; A947-V957 HydrophobicContact CB-CG2 3.89Å; A947-F973 PolarHBondContact N-O 3.48Å; A947-T974 VanDerWaalsContact O-CA 3.23Å; A947-T974 WeakPolarHBondContact O-CA 3.39Å; A947-F975 WeakPolarHBondContact O-CD1 3.14Å; A947-F975 PolarHBondContact O-N 3.13Å
948	R	98.2	Very high	97.3	Very high	26 Å²	26	13.5 Å²	13.5	10%	0.098	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	135.5	169.9	-154	-178.7	66.1	72.5	1.2	110.1	I924 S926 I927 T950 L953 F975 Q976	I924-R948 PolarHBondContact O-N 3.07Å; S926-R948 PolarHBondContact O-NE 3.01Å; S926-R948 PolarHBondContact O-NH2 2.93Å; I927-R948 PolarHBondContact O-NH2 3.09Å; R948-T950 PolarHBondContact NH2-OG1 3.28Å; R948-T950 PolarHBondContact O-N 3.13Å; R948-L953 WeakPolarHBondContact O-CB 3.3Å; R948-F975 CarbonylContact C-O 3.58Å; R948-F975 VanDerWaalsContact CA-O 3.31Å; R948-F975 WeakPolarHBondContact CA-O 3.01Å; R948-F975 HydrophobicContact CB-CD1 4.39Å; R948-F975 HydrophobicContact CB-CE1 3.87Å; R948-F975 HydrophobicContact CB-CE2 4.08Å; R948-F975 HydrophobicContact CB-CZ 3.69Å; R948-F975 HydrophobicContact CG-CD1 4.5Å; R948-F975 HydrophobicContact CG-CD2 3.93Å; R948-F975 HydrophobicContact CG-CE1 4.27Å; R948-F975 HydrophobicContact CG-CE2 3.67Å; R948-F975 HydrophobicContact CG-CG 4.33Å; R948-F975 HydrophobicContact CG-CZ 3.85Å; R948-F975 VanDerWaalsContact CG-O 3.26Å; R948-F975 WeakPolarHBondContact CG-O 3.45Å; R948-Q976 PolarHBondContact NH1-O 3.01Å
949	K	96.6	Very high	97.3	Very high	47 Å²	47	13.8 Å²	13.8	20%	0.204	6%	0.064	C	C	.	.	S	Bend	trans	-67.3	90.9	175.6	-66.7	-163.3	-175.5	-174.8	0	110.1	D962 T974 F975 Q976	K949-D962 IonicContact NZ-OD2 3.37Å; K949-D962 PolarHBondContact NZ-OD2 3.05Å; K949-D962 VanDerWaalsContact NZ-OD2 3.12Å; K949-T974 WeakPolarHBondContact CE-OG1 3.17Å; K949-T974 HydrophobicContact CG-CG2 4.32Å; K949-F975 PolarHBondContact N-O 3.26Å; K949-Q976 PolarHBondContact O-NE2 2.97Å; K949-Q976 VanDerWaalsContact O-NE2 3.13Å
950	T	93.8	Very high	97.3	Very high	6 Å²	6	15.2 Å²	15.2	4%	0.037	7%	0.071	C	C	.	.	S	Bend	trans	-158.5	147.2	176.1	-170.3	0	0	0	0	110.6	E768 E929 R948 G952 L953 N954	E768-T950 WeakPolarHBondContact OE1-CA 3.3Å; E768-T950 PolarHBondContact OE1-OG1 2.84Å; E929-T950 HydrophobicContact CB-CG2 4.42Å; R948-T950 PolarHBondContact NH2-OG1 3.28Å; R948-T950 PolarHBondContact O-N 3.13Å; T950-G952 PolarHBondContact O-N 3.1Å; T950-L953 HydrophobicContact CG2-CD1 4.37Å; T950-L953 WeakPolarHBondContact O-CB 3.47Å; T950-L953 PolarHBondContact O-N 2.88Å; T950-L953 VanDerWaalsContact O-N 3.07Å; T950-N954 PolarHBondContact O-N 2.94Å
951	G	93.5	Very high	97.3	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	40.8	-135.3	-179.6	0	0	0	0	0	113.5	T764 E768 E929 L953 N954	T764-G951 WeakPolarHBondContact CB-O 3.16Å; E768-G951 VanDerWaalsContact CD-N 3.34Å; E768-G951 PolarHBondContact OE1-N 2.87Å; E768-G951 WeakPolarHBondContact OE2-CA 3.44Å; E768-G951 PolarHBondContact OE2-N 3.39Å; E929-G951 CarbonylContact O-C 3.6Å; E929-G951 VanDerWaalsContact O-CA 3.31Å; E929-G951 WeakPolarHBondContact O-CA 3.42Å; G951-L953 PolarHBondContact O-N 3.34Å; G951-N954 WeakPolarHBondContact O-CB 3.46Å; G951-N954 PolarHBondContact O-N 3.36Å
952	G	94.1	Very high	97.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-68.7	-13.4	-177.8	0	0	0	0	0	115.5	S762 E929 C931 T950 N954 D955 S956	S762-G952 VanDerWaalsContact CB-CA 3.41Å; S762-G952 WeakPolarHBondContact OG-CA 3.49Å; S762-G952 PolarHBondContact OG-N 3.2Å; S762-G952 VanDerWaalsContact OG-N 3.12Å; E929-G952 PolarHBondContact O-N 2.83Å; C931-G952 CarbonylContact O-C 3.43Å; C931-G952 VanDerWaalsContact O-C 3.24Å; C931-G952 VanDerWaalsContact O-CA 3.27Å; C931-G952 WeakPolarHBondContact O-CA 3.5Å; T950-G952 PolarHBondContact O-N 3.1Å; G952-N954 VanDerWaalsContact C-N 3.31Å; G952-D955 CarbonylContact O-C 3.45Å; G952-D955 PolarHBondContact O-N 3.2Å; G952-S956 WeakPolarHBondContact O-CB 3.42Å; G952-S956 PolarHBondContact O-N 2.7Å; G952-S956 VanDerWaalsContact O-N 3.1Å; G952-S956 PolarHBondContact O-OG 2.87Å
953	L	96.6	Very high	97.1	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-68.3	-34.6	170.4	-57.6	175.5	0	0	0	110.9	I924 E929 Q935 A947 R948 T950 G951 D955 S956 V957	I924-L953 HydrophobicContact CB-CD1 4.18Å; I924-L953 HydrophobicContact CB-CD2 4.27Å; I924-L953 HydrophobicContact CG2-CD1 3.78Å; I924-L953 HydrophobicContact CG2-CD2 3.98Å; E929-L953 HydrophobicContact CB-CD1 3.75Å; E929-L953 HydrophobicContact CB-CG 3.86Å; E929-L953 HydrophobicContact CG-CD1 4.04Å; E929-L953 HydrophobicContact CG-CD2 4.25Å; E929-L953 HydrophobicContact CG-CG 3.9Å; Q935-L953 HydrophobicContact CB-CD2 4.21Å; Q935-L953 HydrophobicContact CG-CD2 3.8Å; A947-L953 HydrophobicContact CB-CB 4.25Å; A947-L953 HydrophobicContact CB-CD1 4.39Å; A947-L953 HydrophobicContact CB-CD2 4.45Å; R948-L953 WeakPolarHBondContact O-CB 3.3Å; T950-L953 HydrophobicContact CG2-CD1 4.37Å; T950-L953 WeakPolarHBondContact O-CB 3.47Å; T950-L953 PolarHBondContact O-N 2.88Å; T950-L953 VanDerWaalsContact O-N 3.07Å; G951-L953 PolarHBondContact O-N 3.34Å; L953-D955 VanDerWaalsContact C-N 3.28Å; L953-D955 PolarHBondContact O-N 2.87Å; L953-S956 PolarHBondContact O-N 3.31Å; L953-V957 PolarHBondContact O-N 3.43Å
954	N	97	Very high	97	Very high	56 Å²	56	31.2 Å²	31.2	30%	0.299	17%	0.165	S	C	.	.	H	α-helix	trans	-71	-23.5	172.7	-171.2	72.7	0	0	0	112.9	T764 T950 G951 G952	T764-N954 HydrophobicContact CG2-CB 4.01Å; T764-N954 PolarHBondContact OG1-ND2 2.96Å; T950-N954 PolarHBondContact O-N 2.94Å; G951-N954 WeakPolarHBondContact O-CB 3.46Å; G951-N954 PolarHBondContact O-N 3.36Å; G952-N954 VanDerWaalsContact C-N 3.31Å
955	D	96.3	Very high	96.9	Very high	32 Å²	32	32.2 Å²	32.2	17%	0.171	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-4.7	177.6	-56.2	-53.3	0	0	0	113.4	S762 P763 T764 L793 G952 L953 F958	S762-D955 WeakPolarHBondContact CB-OD2 3.36Å; S762-D955 PolarHBondContact OG-OD2 2.83Å; P763-D955 WeakPolarHBondContact CD-OD2 3.33Å; T764-D955 VanDerWaalsContact CB-OD1 3.32Å; T764-D955 WeakPolarHBondContact CB-OD1 3.27Å; T764-D955 VanDerWaalsContact CB-OD2 3.28Å; T764-D955 WeakPolarHBondContact CB-OD2 3.38Å; T764-D955 PolarHBondContact N-OD1 3.03Å; T764-D955 VanDerWaalsContact N-OD1 3.15Å; T764-D955 PolarHBondContact N-OD2 3.19Å; T764-D955 VanDerWaalsContact OG1-CG 3.31Å; T764-D955 PolarHBondContact OG1-OD1 3.43Å; T764-D955 PolarHBondContact OG1-OD2 2.57Å; L793-D955 HydrophobicContact CD1-CB 4.07Å; L793-D955 HydrophobicContact CD2-CB 4.4Å; G952-D955 CarbonylContact O-C 3.45Å; G952-D955 PolarHBondContact O-N 3.2Å; L953-D955 VanDerWaalsContact C-N 3.28Å; L953-D955 PolarHBondContact O-N 2.87Å; D955-F958 WeakPolarHBondContact O-CZ 3.34Å
956	S	96.6	Very high	96.7	Very high	7 Å²	7	35.9 Å²	35.9	5%	0.049	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138	-17	-173.9	61.6	0	0	0	0	116.1	Q935 M939 G952 L953 N971	Q935-S956 PolarHBondContact NE2-OG 2.96Å; M939-S956 WeakPolarHBondContact CE-O 3.47Å; G952-S956 WeakPolarHBondContact O-CB 3.42Å; G952-S956 PolarHBondContact O-N 2.7Å; G952-S956 VanDerWaalsContact O-N 3.1Å; G952-S956 PolarHBondContact O-OG 2.87Å; L953-S956 PolarHBondContact O-N 3.31Å; S956-N971 PolarHBondContact O-ND2 3.38Å
957	V	98.2	Very high	96.5	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	22%	0.224	C	C	.	.			trans	-118.7	122.7	175.6	-173	0	0	0	0	110.3	Q935 M939 P945 A947 L953 N971 T974	Q935-V957 HydrophobicContact CB-CG2 3.94Å; Q935-V957 HydrophobicContact CG-CG2 3.7Å; M939-V957 HydrophobicContact CE-CG2 4.33Å; P945-V957 HydrophobicContact CB-CG1 4.18Å; P945-V957 HydrophobicContact CB-CG2 4.11Å; P945-V957 HydrophobicContact CG-CG1 3.76Å; P945-V957 HydrophobicContact CG-CG2 3.98Å; A947-V957 HydrophobicContact CB-CB 3.94Å; A947-V957 HydrophobicContact CB-CG1 3.98Å; A947-V957 HydrophobicContact CB-CG2 3.89Å; L953-V957 PolarHBondContact O-N 3.43Å; V957-N971 WeakPolarHBondContact CA-OD1 3.42Å; V957-T974 HydrophobicContact CB-CG2 4.47Å; V957-T974 HydrophobicContact CG1-CG2 3.91Å
958	F	98.4	Very high	96.3	Very high	52 Å²	52	47.5 Å²	47.5	23%	0.228	26%	0.256	C	S	.	.			trans	-127.6	128	-170.8	-58.2	-72.7	0	0	0	109.5	D955 I965 F969 N971 G972	D955-F958 WeakPolarHBondContact O-CZ 3.34Å; F958-I965 HydrophobicContact CB-CD1 4.03Å; F958-I965 HydrophobicContact CB-CG2 3.98Å; F958-I965 HydrophobicContact CD1-CD1 4.43Å; F958-I965 HydrophobicContact CD1-CG2 4.49Å; F958-I965 HydrophobicContact CG-CG2 4.47Å; F958-F969 HydrophobicContact CB-CB 4.46Å; F958-F969 WeakPolarHBondContact CB-O 3.41Å; F958-F969 HydrophobicContact CD2-CB 3.96Å; F958-F969 WeakPolarHBondContact CD2-O 3.2Å; F958-F969 HydrophobicContact CE2-CB 4.39Å; F958-F969 HydrophobicContact CG-CB 4.12Å; F958-N971 PolarHBondContact N-OD1 3.02Å; F958-N971 PolarHBondContact O-N 2.9Å; F958-N971 PolarHBondContact O-OD1 2.8Å; F958-G972 PolarHBondContact O-N 2.78Å
959	D	98.4	Very high	96.2	Very high	6 Å²	6	51 Å²	51	3%	0.032	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-71.7	133.8	-171.1	-150.7	-60.3	0	0	0	112.5	D961 D962 I965 Q970 G972 T974 R989	D959-D961 VanDerWaalsContact C-N 3.33Å; D959-D961 PolarHBondContact OD1-N 3.03Å; D959-D962 HydrophobicContact CB-CB 3.76Å; D959-I965 HydrophobicContact CB-CD1 4.39Å; D959-Q970 WeakPolarHBondContact O-CG 3.24Å; D959-G972 CarbonylContact C-O 3.5Å; D959-G972 VanDerWaalsContact CA-O 3.31Å; D959-G972 WeakPolarHBondContact CA-O 3.37Å; D959-T974 HydrophobicContact CB-CG2 4.21Å; D959-T974 WeakPolarHBondContact CB-OG1 3.43Å; D959-T974 WeakPolarHBondContact OD2-CA 3.43Å; D959-T974 PolarHBondContact OD2-N 3.29Å; D959-T974 PolarHBondContact OD2-OG1 2.99Å; D959-R989 IonicContact OD1-CZ 3.55Å; D959-R989 IonicContact OD1-NH1 4Å; D959-R989 PolarHBondContact OD1-NH1 2.88Å; D959-R989 IonicContact OD1-NH2 3.58Å; D959-R989 IonicContact OD2-CZ 2.75Å; D959-R989 IonicContact OD2-NH1 2.67Å; D959-R989 PolarHBondContact OD2-NH1 2.86Å; D959-R989 IonicContact OD2-NH2 2.61Å; D959-R989 PolarHBondContact OD2-NH2 3.1Å
960	I	97.9	Very high	96.2	Very high	30 Å²	30	49.6 Å²	49.6	15%	0.154	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-19	177.7	69.9	172.6	0	0	0	114.1	Q970 G972 F973 L1004	I960-Q970 HydrophobicContact CG2-CB 4.2Å; I960-G972 PolarHBondContact N-O 2.8Å; I960-F973 HydrophobicContact CD1-CE1 3.56Å; I960-F973 HydrophobicContact CD1-CE2 4.31Å; I960-F973 HydrophobicContact CD1-CZ 3.36Å; I960-F973 HydrophobicContact CG1-CD1 4.25Å; I960-F973 HydrophobicContact CG1-CE1 3.55Å; I960-F973 HydrophobicContact CG1-CZ 3.86Å; I960-L1004 HydrophobicContact CD1-CD2 3.87Å; I960-L1004 HydrophobicContact CG2-CD1 3.84Å; I960-L1004 HydrophobicContact CG2-CD2 4.3Å
961	D	96.8	Very high	96.4	Very high	71 Å²	71	49.6 Å²	49.6	38%	0.38	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	11.3	177.6	-56.9	-52.2	0	0	0	112.5	D959 R989 H993	D959-D961 VanDerWaalsContact C-N 3.33Å; D959-D961 PolarHBondContact OD1-N 3.03Å; D961-R989 WeakPolarHBondContact OD2-CD 3.36Å; D961-R989 IonicContact OD2-CZ 3.92Å; D961-R989 IonicContact OD2-NE 3.99Å; D961-R989 IonicContact OD2-NH1 2.94Å; D961-R989 PolarHBondContact OD2-NH1 2.8Å; D961-H993 IonicContact OD1-CD2 2.7Å; D961-H993 IonicContact OD1-CE1 3.77Å; D961-H993 PolarHBondContact OD1-CE1 3.31Å; D961-H993 IonicContact OD1-NE2 2.74Å; D961-H993 PolarHBondContact OD1-NE2 2.85Å; D961-H993 IonicContact OD2-CD2 2.74Å; D961-H993 IonicContact OD2-NE2 3.81Å; D961-H993 PolarHBondContact OD2-NE2 2.82Å
962	D	96.6	Very high	96.6	Very high	38 Å²	38	49.6 Å²	49.6	20%	0.203	27%	0.266	C	S	.	.			trans	-103.7	93.1	177.5	-173.1	-15.1	0	0	0	109.4	K949 D959 T964 I965 Q970	K949-D962 IonicContact NZ-OD2 3.37Å; K949-D962 PolarHBondContact NZ-OD2 3.05Å; K949-D962 VanDerWaalsContact NZ-OD2 3.12Å; D959-D962 HydrophobicContact CB-CB 3.76Å; D962-T964 PolarHBondContact O-N 3.4Å; D962-T964 WeakPolarHBondContact OD1-CB 3.26Å; D962-T964 PolarHBondContact OD1-N 2.91Å; D962-T964 PolarHBondContact OD1-OG1 3Å; D962-I965 HydrophobicContact CB-CD1 3.86Å; D962-I965 HydrophobicContact CB-CG1 4.06Å; D962-I965 WeakPolarHBondContact O-CB 3.35Å; D962-I965 PolarHBondContact O-N 2.66Å; D962-Q970 PolarHBondContact O-NE2 3.21Å; D962-Q970 VanDerWaalsContact O-NE2 3.16Å
963	D	96.1	Very high	96.9	Very high	159 Å²	159	49.6 Å²	49.6	85%	0.85	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-12.6	-179.3	-70.8	-28.1	0	0	0	113.8	I965	D963-I965 VanDerWaalsContact C-N 3.28Å
964	T	96.9	Very high	97	Very high	122 Å²	122	50 Å²	50	75%	0.748	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-15.8	175.2	75.6	0	0	0	0	112.8	D962	D962-T964 PolarHBondContact O-N 3.4Å; D962-T964 WeakPolarHBondContact OD1-CB 3.26Å; D962-T964 PolarHBondContact OD1-N 2.91Å; D962-T964 PolarHBondContact OD1-OG1 3Å
965	I	96.5	Very high	97	Very high	21 Å²	21	47.8 Å²	47.8	11%	0.108	26%	0.256	C	S	.	.	S	Bend	trans	-90	123	179.5	-58.7	-177.7	0	0	0	109.3	F958 D959 D962 D963 T967 F969 Q970	F958-I965 HydrophobicContact CB-CD1 4.03Å; F958-I965 HydrophobicContact CB-CG2 3.98Å; F958-I965 HydrophobicContact CD1-CD1 4.43Å; F958-I965 HydrophobicContact CD1-CG2 4.49Å; F958-I965 HydrophobicContact CG-CG2 4.47Å; D959-I965 HydrophobicContact CB-CD1 4.39Å; D962-I965 HydrophobicContact CB-CD1 3.86Å; D962-I965 HydrophobicContact CB-CG1 4.06Å; D962-I965 WeakPolarHBondContact O-CB 3.35Å; D962-I965 PolarHBondContact O-N 2.66Å; D963-I965 VanDerWaalsContact C-N 3.28Å; I965-T967 PolarHBondContact O-N 3.39Å; I965-F969 HydrophobicContact CG2-CB 4.08Å; I965-Q970 HydrophobicContact CB-CG 3.98Å; I965-Q970 HydrophobicContact CG2-CG 3.67Å; I965-Q970 PolarHBondContact O-NE2 2.79Å
966	P	95.9	Very high	97	Very high	77 Å²	77	51.8 Å²	51.8	50%	0.5	27%	0.274	S	S	.	.			trans	-55.9	130.4	175.2	-25.1	33.4	0	0	0	111.9	Q968 F969	P966-Q968 PolarHBondContact O-N 3.33Å; P966-F969 HydrophobicContact CB-CD2 3.91Å; P966-F969 HydrophobicContact CB-CE2 4.17Å; P966-F969 HydrophobicContact CG-CD2 4.13Å; P966-F969 HydrophobicContact CG-CE2 4.23Å; P966-F969 PolarHBondContact O-N 3.32Å
967	T	94.4	Very high	96.9	Very high	103 Å²	103	54.6 Å²	54.6	63%	0.632	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-28.2	-168.2	-49.2	0	0	0	0	114.5	I965 F969 K1007	I965-T967 PolarHBondContact O-N 3.39Å; T967-F969 VanDerWaalsContact C-N 3.27Å; T967-F969 PolarHBondContact O-N 3.2Å; T967-K1007 WeakPolarHBondContact O-CE 3.3Å; T967-K1007 PolarHBondContact O-NZ 2.97Å
968	Q	93.2	Very high	96.8	Very high	142 Å²	142	57.1 Å²	57.1	66%	0.664	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-31.2	175.7	68.6	-171.6	4.7	0	0	114	P966	P966-Q968 PolarHBondContact O-N 3.33Å
969	F	95.6	Very high	96.8	Very high	98 Å²	98	57.7 Å²	57.7	43%	0.43	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-30.8	-176.1	-58.6	-60.6	0	0	0	113.7	F958 I965 P966 T967 N971	F958-F969 HydrophobicContact CB-CB 4.46Å; F958-F969 WeakPolarHBondContact CB-O 3.41Å; F958-F969 HydrophobicContact CD2-CB 3.96Å; F958-F969 WeakPolarHBondContact CD2-O 3.2Å; F958-F969 HydrophobicContact CE2-CB 4.39Å; F958-F969 HydrophobicContact CG-CB 4.12Å; I965-F969 HydrophobicContact CG2-CB 4.08Å; P966-F969 HydrophobicContact CB-CD2 3.91Å; P966-F969 HydrophobicContact CB-CE2 4.17Å; P966-F969 HydrophobicContact CG-CD2 4.13Å; P966-F969 HydrophobicContact CG-CE2 4.23Å; P966-F969 PolarHBondContact O-N 3.32Å; T967-F969 VanDerWaalsContact C-N 3.27Å; T967-F969 PolarHBondContact O-N 3.2Å; F969-N971 WeakPolarHBondContact O-CB 3.18Å; F969-N971 PolarHBondContact O-N 2.88Å; F969-N971 VanDerWaalsContact O-N 3.13Å
970	Q	97.9	Very high	96.8	Very high	19 Å²	19	62.2 Å²	62.2	9%	0.089	34%	0.338	C	S	.	.			trans	-51.8	113.8	-177.5	-66.4	-179.7	-39.4	0	0	111.8	D959 I960 D962 I965 K1007	D959-Q970 WeakPolarHBondContact O-CG 3.24Å; I960-Q970 HydrophobicContact CG2-CB 4.2Å; D962-Q970 PolarHBondContact O-NE2 3.21Å; D962-Q970 VanDerWaalsContact O-NE2 3.16Å; I965-Q970 HydrophobicContact CB-CG 3.98Å; I965-Q970 HydrophobicContact CG2-CG 3.67Å; I965-Q970 PolarHBondContact O-NE2 2.79Å; Q970-K1007 WeakPolarHBondContact O-CE 3.35Å; Q970-K1007 PolarHBondContact O-NZ 3.27Å
971	N	98.1	Very high	96.8	Very high	5 Å²	5	68.3 Å²	68.3	3%	0.027	37%	0.366	C	S	.	.			trans	-141.7	-1.2	-167.4	65.4	10	0	0	0	115.4	M939 S956 V957 F958 F969 V1008 I1011	M939-N971 HydrophobicContact SD-CB 3.95Å; M939-N971 VanDerWaalsContact SD-CG 3.54Å; M939-N971 PolarHBondContact SD-ND2 2.78Å; S956-N971 PolarHBondContact O-ND2 3.38Å; V957-N971 WeakPolarHBondContact CA-OD1 3.42Å; F958-N971 PolarHBondContact N-OD1 3.02Å; F958-N971 PolarHBondContact O-N 2.9Å; F958-N971 PolarHBondContact O-OD1 2.8Å; F969-N971 WeakPolarHBondContact O-CB 3.18Å; F969-N971 PolarHBondContact O-N 2.88Å; F969-N971 VanDerWaalsContact O-N 3.13Å; N971-V1008 HydrophobicContact CB-CG2 3.8Å; N971-V1008 WeakPolarHBondContact O-CG2 3.28Å; N971-I1011 HydrophobicContact CB-CD1 3.78Å
972	G	98.2	Very high	96.8	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-173.1	-147	176.4	0	0	0	0	0	113.9	F958 D959 I960	F958-G972 PolarHBondContact O-N 2.78Å; D959-G972 CarbonylContact C-O 3.5Å; D959-G972 VanDerWaalsContact CA-O 3.31Å; D959-G972 WeakPolarHBondContact CA-O 3.37Å; I960-G972 PolarHBondContact N-O 2.8Å
973	F	98.7	Very high	96.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.7	-178.6	-58.5	-83.3	0	0	0	110.5	I944 P945 I946 A947 I960 A986 R989 A990 H993 W1001	I944-F973 HydrophobicContact CG2-CD2 4.01Å; I944-F973 HydrophobicContact CG2-CE2 3.84Å; P945-F973 PolarHBondContact O-N 3.17Å; I946-F973 WeakPolarHBondContact CA-O 3.31Å; I946-F973 HydrophobicContact CG1-CB 4.27Å; I946-F973 HydrophobicContact CG1-CD2 4.42Å; I946-F973 HydrophobicContact CG2-CB 4.38Å; A947-F973 PolarHBondContact N-O 3.48Å; I960-F973 HydrophobicContact CD1-CE1 3.56Å; I960-F973 HydrophobicContact CD1-CE2 4.31Å; I960-F973 HydrophobicContact CD1-CZ 3.36Å; I960-F973 HydrophobicContact CG1-CD1 4.25Å; I960-F973 HydrophobicContact CG1-CE1 3.55Å; I960-F973 HydrophobicContact CG1-CZ 3.86Å; F973-A986 HydrophobicContact CB-CB 4.43Å; F973-R989 HydrophobicContact CD1-CB 4.16Å; F973-R989 HydrophobicContact CE1-CB 4.2Å; F973-A990 HydrophobicContact CD1-CB 4.29Å; F973-A990 HydrophobicContact CD2-CB 3.48Å; F973-A990 VanDerWaalsContact CD2-CB 3.48Å; F973-A990 HydrophobicContact CE1-CB 4.4Å; F973-A990 HydrophobicContact CE2-CB 3.61Å; F973-A990 HydrophobicContact CG-CB 3.85Å; F973-A990 HydrophobicContact CZ-CB 4.08Å; F973-H993 AromaticContact CE1-CD2 3.57Å; F973-H993 HydrophobicContact CZ-CB 4.11Å; F973-H993 AromaticContact CZ-CD2 3.76Å; F973-W1001 HydrophobicContact CE2-CH2 4.37Å; F973-W1001 HydrophobicContact CE2-CZ3 4.14Å; F973-W1001 HydrophobicContact CZ-CZ3 4.41Å
974	T	98.6	Very high	97	Very high	9 Å²	9	57.8 Å²	57.8	6%	0.055	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.6	-174.3	70.3	0	0	0	0	113.6	A947 K949 V957 D959 R989	A947-T974 VanDerWaalsContact O-CA 3.23Å; A947-T974 WeakPolarHBondContact O-CA 3.39Å; K949-T974 WeakPolarHBondContact CE-OG1 3.17Å; K949-T974 HydrophobicContact CG-CG2 4.32Å; V957-T974 HydrophobicContact CB-CG2 4.47Å; V957-T974 HydrophobicContact CG1-CG2 3.91Å; D959-T974 HydrophobicContact CB-CG2 4.21Å; D959-T974 WeakPolarHBondContact CB-OG1 3.43Å; D959-T974 WeakPolarHBondContact OD2-CA 3.43Å; D959-T974 PolarHBondContact OD2-N 3.29Å; D959-T974 PolarHBondContact OD2-OG1 2.99Å; T974-R989 PolarHBondContact O-NH2 2.87Å
975	F	98.3	Very high	97	Very high	11 Å²	11	59.1 Å²	59.1	5%	0.048	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	155	171.5	66.1	-71.1	0	0	0	110.6	L858 P925 A947 R948 K949 T977 G982 F983 A986	L858-F975 HydrophobicContact CD1-CE2 4.18Å; L858-F975 HydrophobicContact CD1-CZ 4.34Å; P925-F975 HydrophobicContact CB-CZ 3.88Å; A947-F975 WeakPolarHBondContact O-CD1 3.14Å; A947-F975 PolarHBondContact O-N 3.13Å; R948-F975 CarbonylContact C-O 3.58Å; R948-F975 VanDerWaalsContact CA-O 3.31Å; R948-F975 WeakPolarHBondContact CA-O 3.01Å; R948-F975 HydrophobicContact CB-CD1 4.39Å; R948-F975 HydrophobicContact CB-CE1 3.87Å; R948-F975 HydrophobicContact CB-CE2 4.08Å; R948-F975 HydrophobicContact CB-CZ 3.69Å; R948-F975 HydrophobicContact CG-CD1 4.5Å; R948-F975 HydrophobicContact CG-CD2 3.93Å; R948-F975 HydrophobicContact CG-CE1 4.27Å; R948-F975 HydrophobicContact CG-CE2 3.67Å; R948-F975 HydrophobicContact CG-CG 4.33Å; R948-F975 HydrophobicContact CG-CZ 3.85Å; R948-F975 VanDerWaalsContact CG-O 3.26Å; R948-F975 WeakPolarHBondContact CG-O 3.45Å; K949-F975 PolarHBondContact N-O 3.26Å; F975-T977 WeakPolarHBondContact CD2-O 3.3Å; F975-T977 VanDerWaalsContact CE2-O 3.24Å; F975-T977 WeakPolarHBondContact CE2-O 3.06Å; F975-G982 WeakPolarHBondContact CB-O 3.37Å; F975-F983 HydrophobicContact CD1-CD2 4.48Å; F975-F983 HydrophobicContact CD2-CB 4.24Å; F975-F983 AromaticContact CE1-CD2 3.8Å; F975-F983 HydrophobicContact CE1-CD2 3.8Å; F975-F983 HydrophobicContact CE2-CB 3.94Å; F975-F983 HydrophobicContact CE2-CD2 4.39Å; F975-F983 HydrophobicContact CZ-CB 4.17Å; F975-F983 AromaticContact CZ-CD2 3.75Å; F975-F983 HydrophobicContact CZ-CD2 3.75Å; F975-F983 HydrophobicContact CZ-CG 4.46Å; F975-A986 HydrophobicContact CB-CB 4.2Å; F975-A986 HydrophobicContact CD1-CB 4.28Å
976	Q	95.8	Very high	97.1	Very high	116 Å²	116	58.1 Å²	58.1	54%	0.542	30%	0.301	S	S	.	.			trans	-98	-51.8	-172.1	-168	62.2	59.3	0	0	112.8	R948 K949	R948-Q976 PolarHBondContact NH1-O 3.01Å; K949-Q976 PolarHBondContact O-NE2 2.97Å; K949-Q976 VanDerWaalsContact O-NE2 3.13Å
977	T	95.4	Very high	97.3	Very high	66 Å²	66	54.5 Å²	54.5	41%	0.405	28%	0.277	S	S	.	.	S	Bend	trans	-73.8	149	-176.1	49.2	0	0	0	0	111.8	F975 D979	F975-T977 WeakPolarHBondContact CD2-O 3.3Å; F975-T977 VanDerWaalsContact CE2-O 3.24Å; F975-T977 WeakPolarHBondContact CE2-O 3.06Å; T977-D979 WeakPolarHBondContact CB-OD1 3.45Å; T977-D979 WeakPolarHBondContact CB-OD2 3.42Å; T977-D979 PolarHBondContact O-N 3.21Å; T977-D979 VanDerWaalsContact OG1-CG 3.29Å; T977-D979 PolarHBondContact OG1-OD1 2.9Å; T977-D979 PolarHBondContact OG1-OD2 3.06Å
978	A	95.3	Very high	97.4	Very high	55 Å²	55	52.5 Å²	52.5	46%	0.455	26%	0.26	S	S	.	.	S	Bend	trans	-90.9	47.7	178.8	0	0	0	0	0	111.6	I927	I927-A978 HydrophobicContact CD1-CB 3.91Å
979	D	97.8	Very high	97.7	Very high	63 Å²	63	47 Å²	47	34%	0.337	23%	0.233	S	C	.	.	S	Bend	trans	-131.4	166	-174.8	55.3	36.1	0	0	0	113	L858 T977 Q981 G982 F983	L858-D979 VanDerWaalsContact CD2-C 3.46Å; T977-D979 WeakPolarHBondContact CB-OD1 3.45Å; T977-D979 WeakPolarHBondContact CB-OD2 3.42Å; T977-D979 PolarHBondContact O-N 3.21Å; T977-D979 VanDerWaalsContact OG1-CG 3.29Å; T977-D979 PolarHBondContact OG1-OD1 2.9Å; T977-D979 PolarHBondContact OG1-OD2 3.06Å; D979-Q981 PolarHBondContact O-N 3.29Å; D979-G982 PolarHBondContact OD1-N 2.97Å; D979-F983 PolarHBondContact O-N 3.32Å
980	E	98.3	Very high	97.8	Very high	101 Å²	101	42.3 Å²	42.3	47%	0.472	21%	0.213	S	C	.	.	H	α-helix	trans	-63.8	-30.7	-179.9	-63.2	-175.7	172.8	0	0	112	L858 H861 N984	L858-E980 HydrophobicContact CD2-CG 4.48Å; H861-E980 HydrophobicContact CB-CG 4.1Å; H861-E980 IonicContact CG-OE1 2.74Å; H861-E980 IonicContact ND1-OE1 3.29Å; H861-E980 IonicContact ND1-OE2 2.63Å; E980-N984 VanDerWaalsContact O-CB 3.24Å; E980-N984 WeakPolarHBondContact O-CB 3.44Å; E980-N984 PolarHBondContact O-N 3.1Å; E980-N984 PolarHBondContact O-ND2 3.34Å; E980-N984 PolarHBondContact O-OD1 2.76Å
981	Q	97.8	Very high	97.8	Very high	159 Å²	159	41.6 Å²	41.6	74%	0.743	21%	0.21	S	C	*	.	H	α-helix	trans	-70	-48.5	-178.9	-174.6	176.8	1.6	0	0	112.1	D979 F983 N984 Y985	D979-Q981 PolarHBondContact O-N 3.29Å; Q981-F983 VanDerWaalsContact C-N 3.34Å; Q981-N984 PolarHBondContact O-N 3.38Å; Q981-Y985 PolarHBondContact O-N 2.83Å
982	G	97.2	Very high	97.8	Very high	15 Å²	15	46.4 Å²	46.4	16%	0.155	24%	0.235	C	C	.	.	H	α-helix	trans	-62.4	-42.3	175.8	0	0	0	0	0	111.7	F975 D979 Y985 A986	F975-G982 WeakPolarHBondContact CB-O 3.37Å; D979-G982 PolarHBondContact OD1-N 2.97Å; G982-Y985 PolarHBondContact O-N 3.05Å; G982-A986 PolarHBondContact O-N 3.42Å
983	F	98.4	Very high	97.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-44.5	176.6	-179.8	-95.7	0	0	0	112.6	H861 A862 I923 P925 I946 F975 D979 Q981 Y985 A986 L987	H861-F983 AromaticContact CD2-CD1 3.89Å; A862-F983 HydrophobicContact CB-CE1 3.47Å; A862-F983 VanDerWaalsContact CB-CE1 3.47Å; A862-F983 HydrophobicContact CB-CE2 4.4Å; A862-F983 HydrophobicContact CB-CZ 3.4Å; A862-F983 VanDerWaalsContact CB-CZ 3.4Å; I923-F983 HydrophobicContact CB-CE2 4.39Å; I923-F983 HydrophobicContact CD1-CZ 4.48Å; I923-F983 HydrophobicContact CG2-CE2 4.13Å; I923-F983 HydrophobicContact CG2-CZ 4.05Å; P925-F983 HydrophobicContact CB-CD2 4.44Å; I946-F983 HydrophobicContact CG2-CE2 4.33Å; F975-F983 HydrophobicContact CD1-CD2 4.48Å; F975-F983 HydrophobicContact CD2-CB 4.24Å; F975-F983 AromaticContact CE1-CD2 3.8Å; F975-F983 HydrophobicContact CE1-CD2 3.8Å; F975-F983 HydrophobicContact CE2-CB 3.94Å; F975-F983 HydrophobicContact CE2-CD2 4.39Å; F975-F983 HydrophobicContact CZ-CB 4.17Å; F975-F983 AromaticContact CZ-CD2 3.75Å; F975-F983 HydrophobicContact CZ-CD2 3.75Å; F975-F983 HydrophobicContact CZ-CG 4.46Å; D979-F983 PolarHBondContact O-N 3.32Å; Q981-F983 VanDerWaalsContact C-N 3.34Å; F983-Y985 VanDerWaalsContact C-N 3.33Å; F983-Y985 PolarHBondContact O-N 3.28Å; F983-A986 PolarHBondContact O-N 3.34Å; F983-L987 HydrophobicContact CE1-CB 4.21Å; F983-L987 HydrophobicContact CE1-CD2 3.75Å; F983-L987 HydrophobicContact CE1-CG 4.49Å; F983-L987 HydrophobicContact CZ-CB 4.41Å; F983-L987 HydrophobicContact CZ-CD2 4.17Å; F983-L987 PolarHBondContact O-N 3.06Å
984	N	98.5	Very high	97.8	Very high	32 Å²	32	49.3 Å²	49.3	17%	0.171	25%	0.248	C	C	.	.	H	α-helix	trans	-54.3	-48.2	176.9	-79.3	-13.9	0	0	0	111.7	H861 R865 E980 Q981 A986 L987 E988	H861-N984 PolarHBondContact NE2-OD1 2.91Å; R865-N984 VanDerWaalsContact CD-OD1 3.28Å; R865-N984 WeakPolarHBondContact CD-OD1 3.41Å; R865-N984 VanDerWaalsContact CG-OD1 3.29Å; R865-N984 WeakPolarHBondContact CG-OD1 3.44Å; R865-N984 PolarHBondContact NE-OD1 3.19Å; E980-N984 VanDerWaalsContact O-CB 3.24Å; E980-N984 WeakPolarHBondContact O-CB 3.44Å; E980-N984 PolarHBondContact O-N 3.1Å; E980-N984 PolarHBondContact O-ND2 3.34Å; E980-N984 PolarHBondContact O-OD1 2.76Å; Q981-N984 PolarHBondContact O-N 3.38Å; N984-A986 VanDerWaalsContact C-N 3.31Å; N984-A986 PolarHBondContact O-N 2.96Å; N984-L987 PolarHBondContact O-N 3.47Å; N984-E988 WeakPolarHBondContact O-CB 3.4Å; N984-E988 WeakPolarHBondContact O-CG 3.33Å; N984-E988 PolarHBondContact O-N 3.22Å
985	Y	98.1	Very high	97.6	Very high	150 Å²	150	53.1 Å²	53.1	59%	0.588	26%	0.264	S	S	*	.	H	α-helix	trans	-62.3	-35.7	-178	-176.5	-109.5	0	0	0	113.1	Q981 G982 F983 R989	Q981-Y985 PolarHBondContact O-N 2.83Å; G982-Y985 PolarHBondContact O-N 3.05Å; F983-Y985 VanDerWaalsContact C-N 3.33Å; F983-Y985 PolarHBondContact O-N 3.28Å; Y985-R989 VanDerWaalsContact CE1-NE 3.34Å; Y985-R989 VanDerWaalsContact O-CG 3.32Å; Y985-R989 WeakPolarHBondContact O-CG 3.21Å; Y985-R989 PolarHBondContact O-N 2.88Å; Y985-R989 PolarHBondContact O-NE 3.46Å
986	A	98.5	Very high	97.5	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-72.5	-42.6	174.3	0	0	0	0	0	112.2	I946 F973 F975 G982 F983 N984 R989 A990	I946-A986 HydrophobicContact CG2-CB 3.85Å; F973-A986 HydrophobicContact CB-CB 4.43Å; F975-A986 HydrophobicContact CB-CB 4.2Å; F975-A986 HydrophobicContact CD1-CB 4.28Å; G982-A986 PolarHBondContact O-N 3.42Å; F983-A986 PolarHBondContact O-N 3.34Å; N984-A986 VanDerWaalsContact C-N 3.31Å; N984-A986 PolarHBondContact O-N 2.96Å; A986-R989 PolarHBondContact O-N 3.48Å; A986-A990 WeakPolarHBondContact O-CB 3.43Å; A986-A990 PolarHBondContact O-N 2.97Å
987	L	98.6	Very high	97.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66.5	-38.5	179.7	-173.3	65.3	0	0	0	112.6	R865 L869 I946 F983 N984 A990 F991	R865-L987 HydrophobicContact CB-CD2 4.04Å; R865-L987 HydrophobicContact CG-CD2 3.82Å; L869-L987 HydrophobicContact CD1-CD2 3.88Å; L869-L987 HydrophobicContact CD1-CG 3.84Å; I946-L987 HydrophobicContact CD1-CD1 3.48Å; I946-L987 VanDerWaalsContact CD1-CD1 3.48Å; F983-L987 HydrophobicContact CE1-CB 4.21Å; F983-L987 HydrophobicContact CE1-CD2 3.75Å; F983-L987 HydrophobicContact CE1-CG 4.49Å; F983-L987 HydrophobicContact CZ-CB 4.41Å; F983-L987 HydrophobicContact CZ-CD2 4.17Å; F983-L987 PolarHBondContact O-N 3.06Å; N984-L987 PolarHBondContact O-N 3.47Å; L987-A990 PolarHBondContact O-N 3.36Å; L987-F991 HydrophobicContact CD1-CD2 3.84Å; L987-F991 HydrophobicContact CD1-CE2 3.59Å; L987-F991 HydrophobicContact CG-CD2 4.13Å; L987-F991 HydrophobicContact CG-CE2 4.14Å; L987-F991 WeakPolarHBondContact O-CB 3.18Å; L987-F991 VanDerWaalsContact O-CD2 3.31Å; L987-F991 WeakPolarHBondContact O-CD2 3.47Å; L987-F991 PolarHBondContact O-N 3.04Å
988	E	98.4	Very high	97.3	Very high	61 Å²	61	59.5 Å²	59.5	29%	0.285	29%	0.288	S	S	.	.	H	α-helix	trans	-65.2	-44.2	177.1	-76.4	165.9	-142.8	0	0	112.1	R865 L869 N984 F991 N992	R865-E988 IonicContact CZ-OE1 2.98Å; R865-E988 IonicContact NE-OE1 2.7Å; R865-E988 IonicContact NH2-OE1 3.66Å; R865-E988 PolarHBondContact NH2-OE1 3.34Å; L869-E988 HydrophobicContact CD1-CG 4.03Å; L869-E988 HydrophobicContact CD2-CG 4.01Å; N984-E988 WeakPolarHBondContact O-CB 3.4Å; N984-E988 WeakPolarHBondContact O-CG 3.33Å; N984-E988 PolarHBondContact O-N 3.22Å; E988-F991 PolarHBondContact O-N 3.11Å; E988-N992 WeakPolarHBondContact O-CB 3.38Å; E988-N992 PolarHBondContact O-N 2.77Å; E988-N992 PolarHBondContact O-ND2 2.91Å; E988-N992 VanDerWaalsContact O-ND2 3.1Å
989	R	98.1	Very high	97.3	Very high	27 Å²	27	62.8 Å²	62.8	10%	0.102	29%	0.294	C	S	.	.	H	α-helix	trans	-61.2	-46.1	174.1	-69.6	-179.4	-56.7	115	-11	111.2	D959 D961 F973 T974 Y985 A986 F991 N992 H993	D959-R989 IonicContact OD1-CZ 3.55Å; D959-R989 IonicContact OD1-NH1 4Å; D959-R989 PolarHBondContact OD1-NH1 2.88Å; D959-R989 IonicContact OD1-NH2 3.58Å; D959-R989 IonicContact OD2-CZ 2.75Å; D959-R989 IonicContact OD2-NH1 2.67Å; D959-R989 PolarHBondContact OD2-NH1 2.86Å; D959-R989 IonicContact OD2-NH2 2.61Å; D959-R989 PolarHBondContact OD2-NH2 3.1Å; D961-R989 WeakPolarHBondContact OD2-CD 3.36Å; D961-R989 IonicContact OD2-CZ 3.92Å; D961-R989 IonicContact OD2-NE 3.99Å; D961-R989 IonicContact OD2-NH1 2.94Å; D961-R989 PolarHBondContact OD2-NH1 2.8Å; F973-R989 HydrophobicContact CD1-CB 4.16Å; F973-R989 HydrophobicContact CE1-CB 4.2Å; T974-R989 PolarHBondContact O-NH2 2.87Å; Y985-R989 VanDerWaalsContact CE1-NE 3.34Å; Y985-R989 VanDerWaalsContact O-CG 3.32Å; Y985-R989 WeakPolarHBondContact O-CG 3.21Å; Y985-R989 PolarHBondContact O-N 2.88Å; Y985-R989 PolarHBondContact O-NE 3.46Å; A986-R989 PolarHBondContact O-N 3.48Å; R989-F991 VanDerWaalsContact C-N 3.35Å; R989-F991 PolarHBondContact O-N 2.93Å; R989-N992 PolarHBondContact O-N 3.39Å; R989-N992 VanDerWaalsContact O-N 3.16Å; R989-H993 PolarHBondContact O-CD2 2.96Å; R989-H993 VanDerWaalsContact O-CD2 3.26Å; R989-H993 PolarHBondContact O-N 3.31Å
990	A	98.4	Very high	97.2	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-56.5	-45.6	176	0	0	0	0	0	112.9	L921 I946 F973 A986 L987 Y994	L921-A990 HydrophobicContact CD1-CB 4.07Å; L921-A990 HydrophobicContact CD2-CB 3.83Å; I946-A990 HydrophobicContact CD1-CB 3.71Å; I946-A990 HydrophobicContact CG1-CB 4.26Å; F973-A990 HydrophobicContact CD1-CB 4.29Å; F973-A990 HydrophobicContact CD2-CB 3.48Å; F973-A990 VanDerWaalsContact CD2-CB 3.48Å; F973-A990 HydrophobicContact CE1-CB 4.4Å; F973-A990 HydrophobicContact CE2-CB 3.61Å; F973-A990 HydrophobicContact CG-CB 3.85Å; F973-A990 HydrophobicContact CZ-CB 4.08Å; A986-A990 WeakPolarHBondContact O-CB 3.43Å; A986-A990 PolarHBondContact O-N 2.97Å; L987-A990 PolarHBondContact O-N 3.36Å; A990-Y994 WeakPolarHBondContact O-CB 3.07Å; A990-Y994 PolarHBondContact O-N 3.38Å
991	F	98.2	Very high	97.1	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.018	28%	0.283	C	S	.	.	H	α-helix	trans	-66.1	-38.4	176.3	-91.2	-123.7	0	0	0	112.8	P842 V844 T866 L869 L921 L987 E988 R989 K995	P842-F991 HydrophobicContact CB-CZ 4.38Å; P842-F991 HydrophobicContact CG-CD1 3.93Å; P842-F991 HydrophobicContact CG-CE1 3.56Å; P842-F991 HydrophobicContact CG-CE2 4.4Å; P842-F991 HydrophobicContact CG-CZ 3.81Å; V844-F991 HydrophobicContact CG2-CE2 3.76Å; V844-F991 HydrophobicContact CG2-CZ 3.92Å; T866-F991 HydrophobicContact CG2-CZ 4.16Å; L869-F991 HydrophobicContact CB-CD1 3.49Å; L869-F991 VanDerWaalsContact CB-CD1 3.49Å; L869-F991 HydrophobicContact CB-CE1 3.58Å; L869-F991 HydrophobicContact CB-CG 4.23Å; L869-F991 HydrophobicContact CB-CZ 4.41Å; L869-F991 HydrophobicContact CD1-CD1 4.33Å; L869-F991 HydrophobicContact CD1-CG 4.26Å; L869-F991 WeakPolarHBondContact O-CD1 3.36Å; L921-F991 HydrophobicContact CD1-CD2 3.65Å; L921-F991 HydrophobicContact CD1-CE2 3.55Å; L987-F991 HydrophobicContact CD1-CD2 3.84Å; L987-F991 HydrophobicContact CD1-CE2 3.59Å; L987-F991 HydrophobicContact CG-CD2 4.13Å; L987-F991 HydrophobicContact CG-CE2 4.14Å; L987-F991 WeakPolarHBondContact O-CB 3.18Å; L987-F991 VanDerWaalsContact O-CD2 3.31Å; L987-F991 WeakPolarHBondContact O-CD2 3.47Å; L987-F991 PolarHBondContact O-N 3.04Å; E988-F991 PolarHBondContact O-N 3.11Å; R989-F991 VanDerWaalsContact C-N 3.35Å; R989-F991 PolarHBondContact O-N 2.93Å; F991-K995 WeakPolarHBondContact O-CB 3.38Å; F991-K995 WeakPolarHBondContact O-CG 3.3Å; F991-K995 PolarHBondContact O-N 3.15Å
992	N	97.8	Very high	97	Very high	105 Å²	105	57.9 Å²	57.9	56%	0.561	27%	0.268	S	S	*	.	H	α-helix	trans	-66.9	-45.3	178.3	-73.8	-30.6	0	0	0	111.7	E988 R989 K995 K996	E988-N992 WeakPolarHBondContact O-CB 3.38Å; E988-N992 PolarHBondContact O-N 2.77Å; E988-N992 PolarHBondContact O-ND2 2.91Å; E988-N992 VanDerWaalsContact O-ND2 3.1Å; R989-N992 PolarHBondContact O-N 3.39Å; R989-N992 VanDerWaalsContact O-N 3.16Å; N992-K995 PolarHBondContact O-N 2.7Å; N992-K996 WeakPolarHBondContact O-CB 3.38Å; N992-K996 PolarHBondContact O-N 3.3Å
993	H	97.7	Very high	97	Very high	59 Å²	59	62.6 Å²	62.6	27%	0.273	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-47.5	174.2	-81.1	-79	0	0	0	111.6	D961 F973 R989 K995 W1001	D961-H993 IonicContact OD1-CD2 2.7Å; D961-H993 IonicContact OD1-CE1 3.77Å; D961-H993 PolarHBondContact OD1-CE1 3.31Å; D961-H993 IonicContact OD1-NE2 2.74Å; D961-H993 PolarHBondContact OD1-NE2 2.85Å; D961-H993 IonicContact OD2-CD2 2.74Å; D961-H993 IonicContact OD2-NE2 3.81Å; D961-H993 PolarHBondContact OD2-NE2 2.82Å; F973-H993 AromaticContact CE1-CD2 3.57Å; F973-H993 HydrophobicContact CZ-CB 4.11Å; F973-H993 AromaticContact CZ-CD2 3.76Å; R989-H993 PolarHBondContact O-CD2 2.96Å; R989-H993 VanDerWaalsContact O-CD2 3.26Å; R989-H993 PolarHBondContact O-N 3.31Å; H993-K995 PolarHBondContact O-N 2.87Å; H993-W1001 HydrophobicContact CB-CE3 4.23Å; H993-W1001 HydrophobicContact CB-CZ3 4.25Å
994	Y	97.9	Very high	97	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.008	29%	0.286	C	S	.	.	H	α-helix	trans	-56.4	-46.5	177.9	-176.5	-90.8	0	0	0	113.5	K825 R840 P842 D920 A990 W1001	K825-Y994 PolarHBondContact NZ-OH 3.02Å; R840-Y994 HydrophobicContact CG-CE1 3.87Å; R840-Y994 PolarHBondContact NE-O 2.96Å; R840-Y994 PolarHBondContact NH2-O 2.52Å; P842-Y994 HydrophobicContact CB-CD1 3.64Å; P842-Y994 HydrophobicContact CB-CD2 4.44Å; P842-Y994 HydrophobicContact CB-CE1 3.73Å; P842-Y994 HydrophobicContact CB-CG 4.02Å; P842-Y994 HydrophobicContact CG-CD1 3.99Å; P842-Y994 HydrophobicContact CG-CE1 4.23Å; D920-Y994 HydrophobicContact CB-CD2 4.06Å; D920-Y994 HydrophobicContact CB-CE2 3.67Å; D920-Y994 VanDerWaalsContact CG-CE2 3.42Å; D920-Y994 WeakPolarHBondContact OD1-CE2 3.34Å; D920-Y994 PolarHBondContact OD1-OH 2.69Å; A990-Y994 WeakPolarHBondContact O-CB 3.07Å; A990-Y994 PolarHBondContact O-N 3.38Å; Y994-W1001 AromaticContact CD2-CD2 3.79Å; Y994-W1001 HydrophobicContact CD2-CD2 3.79Å; Y994-W1001 AromaticContact CD2-CE2 3.5Å; Y994-W1001 HydrophobicContact CD2-CE3 4.36Å; Y994-W1001 HydrophobicContact CD2-CG 4.15Å; Y994-W1001 HydrophobicContact CD2-CH2 4.44Å; Y994-W1001 AromaticContact CD2-CZ2 3.87Å; Y994-W1001 HydrophobicContact CD2-CZ2 3.87Å; Y994-W1001 AromaticContact CD2-NE1 3.63Å; Y994-W1001 AromaticContact CE2-NE1 3.75Å
995	K	95.9	Very high	97	Very high	90 Å²	90	62.2 Å²	62.2	39%	0.391	28%	0.279	S	S	.	.	H	α-helix	trans	-82.6	-30.3	-173.4	-68.8	-177.7	-179.9	-173.2	0	113.7	L869 G870 F991 N992 H993	L869-K995 PolarHBondContact O-NZ 2.99Å; G870-K995 PolarHBondContact O-NZ 2.71Å; F991-K995 WeakPolarHBondContact O-CB 3.38Å; F991-K995 WeakPolarHBondContact O-CG 3.3Å; F991-K995 PolarHBondContact O-N 3.15Å; N992-K995 PolarHBondContact O-N 2.7Å; H993-K995 PolarHBondContact O-N 2.87Å
996	K	94.8	Very high	96.9	Very high	188 Å²	188	58 Å²	58	82%	0.817	27%	0.265	S	S	*	.	H	α-helix	trans	-84.1	-36.9	-170.2	-177.2	-178	174.1	-173.7	0	114.3	N992	N992-K996 WeakPolarHBondContact O-CB 3.38Å; N992-K996 PolarHBondContact O-N 3.3Å
997	D	93.4	Very high	96.9	Very high	46 Å²	46	61.2 Å²	61.2	25%	0.246	28%	0.279	C	S	.	.			trans	-146	94.5	-167	-166.2	-40.8	0	0	0	111	E999 K1000 W1001	D997-E999 PolarHBondContact OD1-N 2.94Å; D997-K1000 HydrophobicContact CB-CB 4.11Å; D997-K1000 HydrophobicContact CB-CG 4.45Å; D997-K1000 WeakPolarHBondContact OD1-CB 3.21Å; D997-K1000 WeakPolarHBondContact OD1-CG 3.34Å; D997-K1000 PolarHBondContact OD1-N 2.69Å; D997-K1000 WeakPolarHBondContact OD2-CD 3.43Å; D997-K1000 WeakPolarHBondContact OD2-CG 3.25Å; D997-K1000 IonicContact OD2-NZ 3.88Å; D997-K1000 PolarHBondContact OD2-NZ 3.41Å; D997-W1001 WeakPolarHBondContact O-CB 3.31Å; D997-W1001 PolarHBondContact O-N 3.33Å
998	E	94.7	Very high	96.9	Very high	93 Å²	93	61.2 Å²	61.2	44%	0.435	28%	0.279	S	S	.	.	H	α-helix	trans	-64.5	-41	-176.4	174	148.1	-145.2	0	0	113	R840 W1001 M1002	R840-E998 IonicContact CZ-OE1 3.57Å; R840-E998 IonicContact CZ-OE2 2.72Å; R840-E998 IonicContact NH1-OE1 2.68Å; R840-E998 PolarHBondContact NH1-OE1 3.41Å; R840-E998 IonicContact NH1-OE2 3.46Å; R840-E998 PolarHBondContact NH1-OE2 3.43Å; E998-W1001 WeakPolarHBondContact O-CB 3.17Å; E998-W1001 PolarHBondContact O-N 2.86Å; E998-M1002 HydrophobicContact CG-CE 3.89Å; E998-M1002 HydrophobicContact CG-SD 4.11Å; E998-M1002 WeakPolarHBondContact O-CG 3.41Å; E998-M1002 PolarHBondContact O-N 2.84Å; E998-M1002 VanDerWaalsContact OE1-CE 3.24Å; E998-M1002 WeakPolarHBondContact OE1-CE 3.47Å
999	E	94.5	Very high	96.8	Very high	124 Å²	124	58.7 Å²	58.7	58%	0.579	27%	0.267	S	S	*	.	H	α-helix	trans	-69.8	-36.6	-178.9	-165.4	-161.5	117.5	0	0	111.7	D997 R1003	D997-E999 PolarHBondContact OD1-N 2.94Å; E999-R1003 VanDerWaalsContact CD-NH2 3.31Å; E999-R1003 WeakPolarHBondContact O-CG 3.43Å; E999-R1003 PolarHBondContact O-N 3.4Å; E999-R1003 PolarHBondContact O-NE 2.85Å; E999-R1003 PolarHBondContact O-NH2 3.13Å; E999-R1003 IonicContact OE1-CZ 2.82Å; E999-R1003 IonicContact OE1-NE 2.79Å; E999-R1003 IonicContact OE1-NH1 3.96Å; E999-R1003 PolarHBondContact OE1-NH1 3.23Å; E999-R1003 IonicContact OE1-NH2 3.79Å; E999-R1003 PolarHBondContact OE1-NH2 2.79Å
1000	K	95.1	Very high	96.8	Very high	119 Å²	119	61 Å²	61	52%	0.517	29%	0.287	S	S	.	.	H	α-helix	trans	-68.9	-38.5	169.5	-72.3	-169.9	-172.9	84.4	0	112	D997 R1003 L1004	D997-K1000 HydrophobicContact CB-CB 4.11Å; D997-K1000 HydrophobicContact CB-CG 4.45Å; D997-K1000 WeakPolarHBondContact OD1-CB 3.21Å; D997-K1000 WeakPolarHBondContact OD1-CG 3.34Å; D997-K1000 PolarHBondContact OD1-N 2.69Å; D997-K1000 WeakPolarHBondContact OD2-CD 3.43Å; D997-K1000 WeakPolarHBondContact OD2-CG 3.25Å; D997-K1000 IonicContact OD2-NZ 3.88Å; D997-K1000 PolarHBondContact OD2-NZ 3.41Å; K1000-R1003 PolarHBondContact O-N 2.85Å; K1000-L1004 PolarHBondContact O-N 2.8Å
1001	W	97.4	Very high	96.7	Very high	13 Å²	13	63.1 Å²	63.1	5%	0.049	30%	0.298	C	S	.	.	H	α-helix	trans	-61.5	-48.4	176	-172.7	-95.9	0	0	0	112.1	D920 L921 I944 F973 H993 Y994 D997 E998 R1003 L1004 V1005	D920-W1001 WeakPolarHBondContact O-CZ2 3.18Å; L921-W1001 HydrophobicContact CD2-CH2 3.61Å; L921-W1001 HydrophobicContact CD2-CZ2 4.24Å; L921-W1001 HydrophobicContact CG-CH2 4.43Å; I944-W1001 HydrophobicContact CB-CH2 3.68Å; I944-W1001 HydrophobicContact CB-CZ2 3.93Å; I944-W1001 HydrophobicContact CG1-CH2 3.53Å; I944-W1001 HydrophobicContact CG1-CZ2 3.42Å; I944-W1001 VanDerWaalsContact CG1-CZ2 3.42Å; I944-W1001 HydrophobicContact CG1-CZ3 4.43Å; I944-W1001 HydrophobicContact CG2-CH2 4.12Å; F973-W1001 HydrophobicContact CE2-CH2 4.37Å; F973-W1001 HydrophobicContact CE2-CZ3 4.14Å; F973-W1001 HydrophobicContact CZ-CZ3 4.41Å; H993-W1001 HydrophobicContact CB-CE3 4.23Å; H993-W1001 HydrophobicContact CB-CZ3 4.25Å; Y994-W1001 AromaticContact CD2-CD2 3.79Å; Y994-W1001 HydrophobicContact CD2-CD2 3.79Å; Y994-W1001 AromaticContact CD2-CE2 3.5Å; Y994-W1001 HydrophobicContact CD2-CE3 4.36Å; Y994-W1001 HydrophobicContact CD2-CG 4.15Å; Y994-W1001 HydrophobicContact CD2-CH2 4.44Å; Y994-W1001 AromaticContact CD2-CZ2 3.87Å; Y994-W1001 HydrophobicContact CD2-CZ2 3.87Å; Y994-W1001 AromaticContact CD2-NE1 3.63Å; Y994-W1001 AromaticContact CE2-NE1 3.75Å; D997-W1001 WeakPolarHBondContact O-CB 3.31Å; D997-W1001 PolarHBondContact O-N 3.33Å; E998-W1001 WeakPolarHBondContact O-CB 3.17Å; E998-W1001 PolarHBondContact O-N 2.86Å; W1001-R1003 PolarHBondContact O-N 2.88Å; W1001-L1004 HydrophobicContact CE3-CD2 4.44Å; W1001-L1004 HydrophobicContact CZ3-CD2 4.21Å; W1001-L1004 WeakPolarHBondContact O-CB 3.13Å; W1001-L1004 PolarHBondContact O-N 2.95Å; W1001-L1004 VanDerWaalsContact O-N 3.15Å; W1001-V1005 WeakPolarHBondContact O-CG2 3.45Å; W1001-V1005 PolarHBondContact O-N 3.2Å
1002	M	96.2	Very high	96.5	Very high	88 Å²	88	68 Å²	68	43%	0.433	32%	0.324	S	S	.	.	H	α-helix	trans	-62.1	-40.7	178.8	-72.7	176.7	172.4	0	0	112.4	L818 E998 L1004 V1005 E1006	L818-M1002 HydrophobicContact CD1-CB 4.41Å; L818-M1002 HydrophobicContact CD1-CG 4.49Å; E998-M1002 HydrophobicContact CG-CE 3.89Å; E998-M1002 HydrophobicContact CG-SD 4.11Å; E998-M1002 WeakPolarHBondContact O-CG 3.41Å; E998-M1002 PolarHBondContact O-N 2.84Å; E998-M1002 VanDerWaalsContact OE1-CE 3.24Å; E998-M1002 WeakPolarHBondContact OE1-CE 3.47Å; M1002-L1004 VanDerWaalsContact C-N 3.34Å; M1002-L1004 PolarHBondContact O-N 3.22Å; M1002-V1005 WeakPolarHBondContact O-CB 3.33Å; M1002-V1005 PolarHBondContact O-N 2.94Å; M1002-E1006 PolarHBondContact O-N 3.39Å
1003	R	96.5	Very high	96.3	Very high	113 Å²	113	63.7 Å²	63.7	43%	0.426	30%	0.301	S	S	.	.	H	α-helix	trans	-65.4	-33.9	173.6	-76.2	177.8	-66.5	-148.5	-8.3	113.5	E999 K1000 W1001 K1007	E999-R1003 VanDerWaalsContact CD-NH2 3.31Å; E999-R1003 WeakPolarHBondContact O-CG 3.43Å; E999-R1003 PolarHBondContact O-N 3.4Å; E999-R1003 PolarHBondContact O-NE 2.85Å; E999-R1003 PolarHBondContact O-NH2 3.13Å; E999-R1003 IonicContact OE1-CZ 2.82Å; E999-R1003 IonicContact OE1-NE 2.79Å; E999-R1003 IonicContact OE1-NH1 3.96Å; E999-R1003 PolarHBondContact OE1-NH1 3.23Å; E999-R1003 IonicContact OE1-NH2 3.79Å; E999-R1003 PolarHBondContact OE1-NH2 2.79Å; K1000-R1003 PolarHBondContact O-N 2.85Å; W1001-R1003 PolarHBondContact O-N 2.88Å; R1003-K1007 WeakPolarHBondContact O-CB 3.5Å; R1003-K1007 PolarHBondContact O-N 2.95Å
1004	L	97.8	Very high	96	Very high	20 Å²	20	62.3 Å²	62.3	11%	0.105	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-45	171.7	-179.9	62	0	0	0	110.2	I944 I960 K1000 W1001 M1002 K1007 V1008	I944-L1004 HydrophobicContact CD1-CD2 4.32Å; I944-L1004 HydrophobicContact CD1-CG 3.97Å; I944-L1004 HydrophobicContact CG1-CD2 4.22Å; I944-L1004 HydrophobicContact CG1-CG 4.38Å; I944-L1004 HydrophobicContact CG2-CD2 4.15Å; I960-L1004 HydrophobicContact CD1-CD2 3.87Å; I960-L1004 HydrophobicContact CG2-CD1 3.84Å; I960-L1004 HydrophobicContact CG2-CD2 4.3Å; K1000-L1004 PolarHBondContact O-N 2.8Å; W1001-L1004 HydrophobicContact CE3-CD2 4.44Å; W1001-L1004 HydrophobicContact CZ3-CD2 4.21Å; W1001-L1004 WeakPolarHBondContact O-CB 3.13Å; W1001-L1004 PolarHBondContact O-N 2.95Å; W1001-L1004 VanDerWaalsContact O-N 3.15Å; M1002-L1004 VanDerWaalsContact C-N 3.34Å; M1002-L1004 PolarHBondContact O-N 3.22Å; L1004-K1007 PolarHBondContact O-N 3.02Å; L1004-V1008 HydrophobicContact CD1-CG2 3.85Å; L1004-V1008 HydrophobicContact CG-CG2 4.34Å; L1004-V1008 VanDerWaalsContact O-CB 3.24Å; L1004-V1008 WeakPolarHBondContact O-CB 3.46Å; L1004-V1008 WeakPolarHBondContact O-CG2 3.3Å; L1004-V1008 PolarHBondContact O-N 2.86Å
1005	V	98.3	Very high	95.7	Very high	4 Å²	4	62.6 Å²	62.6	2%	0.024	30%	0.299	C	S	.	.	H	α-helix	trans	-60.1	-51.5	176.4	172.4	0	0	0	0	111.9	L818 I944 W1001 M1002 K1007 V1008 M1009	L818-V1005 HydrophobicContact CD1-CB 4.34Å; L818-V1005 HydrophobicContact CD1-CG1 3.93Å; L818-V1005 HydrophobicContact CD2-CG1 3.75Å; I944-V1005 HydrophobicContact CD1-CG2 4.15Å; I944-V1005 HydrophobicContact CG1-CG2 4.27Å; W1001-V1005 WeakPolarHBondContact O-CG2 3.45Å; W1001-V1005 PolarHBondContact O-N 3.2Å; M1002-V1005 WeakPolarHBondContact O-CB 3.33Å; M1002-V1005 PolarHBondContact O-N 2.94Å; V1005-K1007 PolarHBondContact O-N 3.12Å; V1005-V1008 PolarHBondContact O-N 2.87Å; V1005-M1009 HydrophobicContact CG1-CG 4.45Å; V1005-M1009 HydrophobicContact CG1-SD 3.94Å; V1005-M1009 WeakPolarHBondContact O-CG 3.31Å; V1005-M1009 PolarHBondContact O-N 3.16Å
1006	E	97.6	Very high	95.4	Very high	62 Å²	62	60 Å²	60	29%	0.29	30%	0.298	S	S	.	.	H	α-helix	trans	-53.9	-51.6	176.3	168.8	178.9	-158.6	0	0	111.7	A815 K816 M1002 V1008 M1009 S1010	A815-E1006 WeakPolarHBondContact O-CG 3.16Å; K816-E1006 IonicContact NZ-OE1 3.62Å; K816-E1006 PolarHBondContact NZ-OE1 3.12Å; M1002-E1006 PolarHBondContact O-N 3.39Å; E1006-V1008 VanDerWaalsContact C-N 3.32Å; E1006-V1008 PolarHBondContact O-N 3.39Å; E1006-M1009 PolarHBondContact O-N 3.25Å; E1006-S1010 WeakPolarHBondContact O-CB 3.38Å; E1006-S1010 PolarHBondContact O-N 2.99Å; E1006-S1010 VanDerWaalsContact O-N 3.1Å; E1006-S1010 PolarHBondContact O-OG 3.48Å
1007	K	97.5	Very high	95.1	Very high	67 Å²	67	54.5 Å²	54.5	29%	0.291	28%	0.283	S	S	.	.	H	α-helix	trans	-57.6	-45.3	179.1	177.4	-164.6	-180	-169.1	0	111.5	T967 Q970 R1003 L1004 V1005 S1010	T967-K1007 WeakPolarHBondContact O-CE 3.3Å; T967-K1007 PolarHBondContact O-NZ 2.97Å; Q970-K1007 WeakPolarHBondContact O-CE 3.35Å; Q970-K1007 PolarHBondContact O-NZ 3.27Å; R1003-K1007 WeakPolarHBondContact O-CB 3.5Å; R1003-K1007 PolarHBondContact O-N 2.95Å; L1004-K1007 PolarHBondContact O-N 3.02Å; V1005-K1007 PolarHBondContact O-N 3.12Å; K1007-S1010 WeakPolarHBondContact O-CB 3.3Å; K1007-S1010 PolarHBondContact O-N 3.05Å
1008	V	97.9	Very high	95.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-73.4	-34.5	-174.8	169.9	0	0	0	0	112.1	M939 I944 N971 L1004 V1005 E1006 S1010 I1011	M939-V1008 HydrophobicContact CB-CG1 3.41Å; M939-V1008 VanDerWaalsContact CB-CG1 3.41Å; M939-V1008 HydrophobicContact CG-CG1 3.4Å; M939-V1008 VanDerWaalsContact CG-CG1 3.4Å; M939-V1008 HydrophobicContact SD-CG1 4.05Å; I944-V1008 HydrophobicContact CD1-CB 3.99Å; I944-V1008 HydrophobicContact CD1-CG1 3.97Å; I944-V1008 HydrophobicContact CD1-CG2 4.04Å; N971-V1008 HydrophobicContact CB-CG2 3.8Å; N971-V1008 WeakPolarHBondContact O-CG2 3.28Å; L1004-V1008 HydrophobicContact CD1-CG2 3.85Å; L1004-V1008 HydrophobicContact CG-CG2 4.34Å; L1004-V1008 VanDerWaalsContact O-CB 3.24Å; L1004-V1008 WeakPolarHBondContact O-CB 3.46Å; L1004-V1008 WeakPolarHBondContact O-CG2 3.3Å; L1004-V1008 PolarHBondContact O-N 2.86Å; V1005-V1008 PolarHBondContact O-N 2.87Å; E1006-V1008 VanDerWaalsContact C-N 3.32Å; E1006-V1008 PolarHBondContact O-N 3.39Å; V1008-S1010 PolarHBondContact O-N 3.4Å; V1008-I1011 PolarHBondContact O-N 2.96Å
1009	M	98.2	Very high	95.1	Very high	8 Å²	8	48.3 Å²	48.3	4%	0.039	25%	0.253	C	S	.	.	H	α-helix	trans	-68.1	-22.5	169.5	-70.4	-178.4	70.3	0	0	113.3	P803 F813 A815 L818 G942 V1005 E1006	P803-M1009 HydrophobicContact CG-CE 3.78Å; F813-M1009 HydrophobicContact CD2-CE 3.68Å; F813-M1009 HydrophobicContact CD2-SD 4.28Å; F813-M1009 HydrophobicContact CE2-CE 3.5Å; F813-M1009 HydrophobicContact CE2-SD 3.95Å; A815-M1009 HydrophobicContact CB-CB 3.88Å; L818-M1009 HydrophobicContact CD2-SD 3.68Å; G942-M1009 VanDerWaalsContact CA-CG 3.41Å; V1005-M1009 HydrophobicContact CG1-CG 4.45Å; V1005-M1009 HydrophobicContact CG1-SD 3.94Å; V1005-M1009 WeakPolarHBondContact O-CG 3.31Å; V1005-M1009 PolarHBondContact O-N 3.16Å; E1006-M1009 PolarHBondContact O-N 3.25Å
1010	S	97	Very high	95.1	Very high	76 Å²	76	44.7 Å²	44.7	53%	0.531	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	1.9	179.8	-55.5	0	0	0	0	114.1	E1006 K1007 V1008	E1006-S1010 WeakPolarHBondContact O-CB 3.38Å; E1006-S1010 PolarHBondContact O-N 2.99Å; E1006-S1010 VanDerWaalsContact O-N 3.1Å; E1006-S1010 PolarHBondContact O-OG 3.48Å; K1007-S1010 WeakPolarHBondContact O-CB 3.3Å; K1007-S1010 PolarHBondContact O-N 3.05Å; V1008-S1010 PolarHBondContact O-N 3.4Å
1011	I	95.7	Very high	95.1	Very high	44 Å²	44	42.6 Å²	42.6	23%	0.226	23%	0.232	C	C	.	.	S	Bend	trans	-77.1	133.3	175.2	-61.8	172.5	0	0	0	109.6	N971 V1008 F1013	N971-I1011 HydrophobicContact CB-CD1 3.78Å; V1008-I1011 PolarHBondContact O-N 2.96Å; I1011-F1013 HydrophobicContact CB-CD2 4.36Å; I1011-F1013 HydrophobicContact CB-CE1 4.25Å; I1011-F1013 HydrophobicContact CB-CE2 3.68Å; I1011-F1013 HydrophobicContact CB-CZ 3.61Å; I1011-F1013 HydrophobicContact CD1-CZ 4.11Å; I1011-F1013 HydrophobicContact CG1-CZ 4.44Å; I1011-F1013 HydrophobicContact CG2-CD1 4.11Å; I1011-F1013 HydrophobicContact CG2-CD2 4.38Å; I1011-F1013 HydrophobicContact CG2-CE1 3.6Å; I1011-F1013 HydrophobicContact CG2-CE2 3.91Å; I1011-F1013 HydrophobicContact CG2-CG 4.47Å; I1011-F1013 HydrophobicContact CG2-CZ 3.48Å; I1011-F1013 VanDerWaalsContact CG2-CZ 3.48Å; I1011-F1013 WeakPolarHBondContact O-CD2 3.33Å; I1011-F1013 PolarHBondContact O-N 2.96Å
1012	D	94.6	Very high	95.1	Very high	106 Å²	106	42 Å²	42	57%	0.567	23%	0.229	S	C	*	.			trans	-71.8	109.3	171	-179.8	23.3	0	0	0	110.6	S1014	D1012-S1014 WeakPolarHBondContact OD1-CA 3.49Å; D1012-S1014 WeakPolarHBondContact OD1-CB 3.04Å; D1012-S1014 PolarHBondContact OD1-N 2.77Å; D1012-S1014 PolarHBondContact OD1-OG 3.45Å; D1012-S1014 PolarHBondContact OD2-OG 3.11Å
1013	F	93.7	Very high	95.1	Very high	16 Å²	16	40 Å²	40	7%	0.07	22%	0.22	C	C	.	.			trans	-104.7	10.4	170.8	-59.6	-68.3	0	0	0	112.6	G795 I796 M936 M939 R940 I1011	G795-F1013 CarbonylContact C-O 3.45Å; G795-F1013 WeakPolarHBondContact CA-O 3.5Å; I796-F1013 HydrophobicContact CD1-CB 4.02Å; I796-F1013 HydrophobicContact CG1-CB 3.84Å; I796-F1013 PolarHBondContact N-O 2.86Å; M936-F1013 HydrophobicContact CB-CB 4.31Å; M936-F1013 HydrophobicContact CB-CD1 3.88Å; M936-F1013 HydrophobicContact CB-CE1 4.4Å; M936-F1013 HydrophobicContact CB-CG 4.08Å; M936-F1013 HydrophobicContact CG-CD1 3.77Å; M936-F1013 HydrophobicContact CG-CE1 4.2Å; M936-F1013 HydrophobicContact CG-CG 4.43Å; M939-F1013 HydrophobicContact CB-CE2 3.56Å; M939-F1013 HydrophobicContact CB-CZ 3.48Å; M939-F1013 VanDerWaalsContact CB-CZ 3.48Å; M939-F1013 HydrophobicContact CE-CE1 3.57Å; M939-F1013 HydrophobicContact CE-CZ 3.56Å; M939-F1013 HydrophobicContact CG-CZ 4.19Å; M939-F1013 HydrophobicContact SD-CE1 4.28Å; M939-F1013 HydrophobicContact SD-CZ 3.72Å; R940-F1013 HydrophobicContact CB-CD2 4.23Å; I1011-F1013 HydrophobicContact CB-CD2 4.36Å; I1011-F1013 HydrophobicContact CB-CE1 4.25Å; I1011-F1013 HydrophobicContact CB-CE2 3.68Å; I1011-F1013 HydrophobicContact CB-CZ 3.61Å; I1011-F1013 HydrophobicContact CD1-CZ 4.11Å; I1011-F1013 HydrophobicContact CG1-CZ 4.44Å; I1011-F1013 HydrophobicContact CG2-CD1 4.11Å; I1011-F1013 HydrophobicContact CG2-CD2 4.38Å; I1011-F1013 HydrophobicContact CG2-CE1 3.6Å; I1011-F1013 HydrophobicContact CG2-CE2 3.91Å; I1011-F1013 HydrophobicContact CG2-CG 4.47Å; I1011-F1013 HydrophobicContact CG2-CZ 3.48Å; I1011-F1013 VanDerWaalsContact CG2-CZ 3.48Å; I1011-F1013 WeakPolarHBondContact O-CD2 3.33Å; I1011-F1013 PolarHBondContact O-N 2.96Å
1014	S	92.3	Very high	95	Very high	29 Å²	29	40.1 Å²	40.1	20%	0.203	23%	0.225	C	C	.	.	S	Bend	trans	-68.6	166.2	-178.5	77.7	0	0	0	0	112.4	D1012 G1016	D1012-S1014 WeakPolarHBondContact OD1-CA 3.49Å; D1012-S1014 WeakPolarHBondContact OD1-CB 3.04Å; D1012-S1014 PolarHBondContact OD1-N 2.77Å; D1012-S1014 PolarHBondContact OD1-OG 3.45Å; D1012-S1014 PolarHBondContact OD2-OG 3.11Å; S1014-G1016 PolarHBondContact O-N 3.07Å; S1014-G1016 PolarHBondContact OG-N 3.11Å
1015	W	91.6	Very high	95	Very high	8 Å²	8	39.9 Å²	39.9	3%	0.03	22%	0.224	C	C	.	.	S	Bend	trans	-70.4	-3.8	171.7	-80.8	92.8	0	0	0	114.6	V563 L567 A570 N794 G795 I796 S1017 S1018 A1019	V563-W1015 HydrophobicContact CB-CH2 4.19Å; V563-W1015 HydrophobicContact CB-CZ2 4.17Å; V563-W1015 HydrophobicContact CG1-CH2 3.69Å; V563-W1015 HydrophobicContact CG1-CZ2 4.14Å; V563-W1015 HydrophobicContact CG2-CH2 3.96Å; V563-W1015 HydrophobicContact CG2-CZ2 3.88Å; L567-W1015 HydrophobicContact CB-CD2 4.48Å; L567-W1015 HydrophobicContact CB-CE3 4.01Å; L567-W1015 HydrophobicContact CB-CH2 4.39Å; L567-W1015 HydrophobicContact CB-CZ3 3.96Å; L567-W1015 HydrophobicContact CD1-CE3 4Å; L567-W1015 HydrophobicContact CD1-CZ3 4.15Å; L567-W1015 HydrophobicContact CG-CZ3 4.47Å; A570-W1015 HydrophobicContact CB-CB 3.52Å; A570-W1015 HydrophobicContact CB-CG 4.42Å; N794-W1015 HydrophobicContact CB-CH2 3.64Å; N794-W1015 HydrophobicContact CB-CZ2 3.82Å; G795-W1015 VanDerWaalsContact C-NE1 3.34Å; G795-W1015 VanDerWaalsContact O-CE2 3.26Å; G795-W1015 VanDerWaalsContact O-CZ2 3.28Å; G795-W1015 WeakPolarHBondContact O-CZ2 3.24Å; G795-W1015 PolarHBondContact O-NE1 3.41Å; G795-W1015 VanDerWaalsContact O-NE1 3.13Å; I796-W1015 VanDerWaalsContact O-CD1 3.31Å; W1015-S1017 PolarHBondContact O-N 2.71Å; W1015-S1018 PolarHBondContact O-N 2.72Å; W1015-A1019 WeakPolarHBondContact O-CB 3.49Å; W1015-A1019 PolarHBondContact O-N 3.05Å
1016	G	88.4	Confident	95	Very high	36 Å²	36	39.7 Å²	39.7	37%	0.371	22%	0.222	S	C	.	.	H	α-helix	trans	-57.8	-50.2	-171.6	0	0	0	0	0	114.2	S1014 T1020	S1014-G1016 PolarHBondContact O-N 3.07Å; S1014-G1016 PolarHBondContact OG-N 3.11Å; G1016-T1020 PolarHBondContact O-N 3.12Å; G1016-T1020 PolarHBondContact O-OG1 3.13Å
1017	S	89.1	Confident	94.8	Very high	72 Å²	72	39.7 Å²	39.7	50%	0.503	23%	0.226	S	C	.	.	H	α-helix	trans	-64.7	-50.6	177	178.4	0	0	0	0	112	W1015 T1020 Q1021	W1015-S1017 PolarHBondContact O-N 2.71Å; S1017-T1020 WeakPolarHBondContact O-CB 3.21Å; S1017-T1020 PolarHBondContact O-N 2.91Å; S1017-Q1021 PolarHBondContact O-N 2.97Å
1018	S	93.4	Very high	94.7	Very high	9 Å²	9	42.2 Å²	42.2	6%	0.063	23%	0.234	C	C	.	.	H	α-helix	trans	-68.8	-39.4	-174.6	-55.6	0	0	0	0	113	L793 W1015 T1020 Q1021 Y1022	L793-S1018 VanDerWaalsContact O-CB 3.25Å; L793-S1018 WeakPolarHBondContact O-CB 3.36Å; L793-S1018 PolarHBondContact O-OG 2.87Å; W1015-S1018 PolarHBondContact O-N 2.72Å; S1018-T1020 VanDerWaalsContact C-N 3.29Å; S1018-T1020 PolarHBondContact O-N 3.08Å; S1018-Q1021 WeakPolarHBondContact O-CB 3.48Å; S1018-Q1021 PolarHBondContact O-N 3.04Å; S1018-Y1022 VanDerWaalsContact O-CD2 3.3Å; S1018-Y1022 WeakPolarHBondContact O-CD2 3.4Å; S1018-Y1022 PolarHBondContact O-N 3.42Å
1019	A	93.9	Very high	94.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.7	-33.9	175.7	0	0	0	0	0	112	L567 A570 L571 K574 W1015 Q1021 Y1022 E1023	L567-A1019 HydrophobicContact CD1-CB 3.9Å; A570-A1019 HydrophobicContact CB-CB 3.57Å; L571-A1019 HydrophobicContact CD2-CB 4.49Å; K574-A1019 HydrophobicContact CD-CB 4.41Å; W1015-A1019 WeakPolarHBondContact O-CB 3.49Å; W1015-A1019 PolarHBondContact O-N 3.05Å; A1019-Q1021 VanDerWaalsContact C-N 3.35Å; A1019-Y1022 PolarHBondContact O-N 3.09Å; A1019-E1023 WeakPolarHBondContact O-CB 3.39Å; A1019-E1023 PolarHBondContact O-N 2.86Å
1020	T	94.4	Very high	94.4	Very high	48 Å²	48	42.9 Å²	42.9	29%	0.294	24%	0.239	S	C	.	.	H	α-helix	trans	-63.7	-40.5	172.8	-53.4	0	0	0	0	111.2	K574 G1016 S1017 S1018 Y1022 E1023 E1024	K574-T1020 WeakPolarHBondContact CE-OG1 3.49Å; K574-T1020 PolarHBondContact NZ-OG1 3.34Å; G1016-T1020 PolarHBondContact O-N 3.12Å; G1016-T1020 PolarHBondContact O-OG1 3.13Å; S1017-T1020 WeakPolarHBondContact O-CB 3.21Å; S1017-T1020 PolarHBondContact O-N 2.91Å; S1018-T1020 VanDerWaalsContact C-N 3.29Å; S1018-T1020 PolarHBondContact O-N 3.08Å; T1020-Y1022 PolarHBondContact O-N 2.87Å; T1020-E1023 WeakPolarHBondContact O-CB 3.48Å; T1020-E1023 PolarHBondContact O-N 3.34Å; T1020-E1024 PolarHBondContact O-N 3.06Å
1021	Q	95.4	Very high	94	Very high	75 Å²	75	42.5 Å²	42.5	35%	0.35	24%	0.236	S	C	.	.	H	α-helix	trans	-64.5	-38.8	173.9	-66	174.4	60.9	0	0	112.3	I792 S1017 S1018 A1019 L1025	I792-Q1021 HydrophobicContact CD1-CB 3.8Å; I792-Q1021 HydrophobicContact CG1-CB 4.27Å; I792-Q1021 HydrophobicContact CG2-CB 4.33Å; S1017-Q1021 PolarHBondContact O-N 2.97Å; S1018-Q1021 WeakPolarHBondContact O-CB 3.48Å; S1018-Q1021 PolarHBondContact O-N 3.04Å; A1019-Q1021 VanDerWaalsContact C-N 3.35Å; Q1021-L1025 WeakPolarHBondContact O-CG 3.42Å; Q1021-L1025 PolarHBondContact O-N 2.88Å; Q1021-L1025 VanDerWaalsContact O-N 3.17Å
1022	Y	97.5	Very high	93.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.4	-45.4	173	-83.5	-78.2	0	0	0	112.2	L567 H675 T759 I792 S1018 A1019 T1020 E1024 L1025 Y1026	L567-Y1022 HydrophobicContact CD1-CD2 3.76Å; L567-Y1022 HydrophobicContact CD1-CE2 4.45Å; L567-Y1022 HydrophobicContact CD1-CG 4.13Å; L567-Y1022 HydrophobicContact CD2-CD1 4.26Å; L567-Y1022 HydrophobicContact CD2-CD2 3.92Å; L567-Y1022 HydrophobicContact CD2-CE1 4.34Å; L567-Y1022 HydrophobicContact CD2-CE2 4.03Å; L567-Y1022 HydrophobicContact CD2-CG 4.07Å; H675-Y1022 AromaticContact CE1-CE1 3.77Å; T759-Y1022 HydrophobicContact CG2-CD1 4.48Å; T759-Y1022 HydrophobicContact CG2-CE1 3.74Å; I792-Y1022 HydrophobicContact CB-CE2 3.96Å; I792-Y1022 HydrophobicContact CD1-CD1 4.23Å; I792-Y1022 HydrophobicContact CD1-CD2 3.94Å; I792-Y1022 HydrophobicContact CD1-CE1 4.23Å; I792-Y1022 HydrophobicContact CD1-CE2 3.91Å; I792-Y1022 HydrophobicContact CD1-CG 4.08Å; I792-Y1022 HydrophobicContact CG2-CD2 4.13Å; I792-Y1022 HydrophobicContact CG2-CE2 3.72Å; S1018-Y1022 VanDerWaalsContact O-CD2 3.3Å; S1018-Y1022 WeakPolarHBondContact O-CD2 3.4Å; S1018-Y1022 PolarHBondContact O-N 3.42Å; A1019-Y1022 PolarHBondContact O-N 3.09Å; T1020-Y1022 PolarHBondContact O-N 2.87Å; Y1022-E1024 PolarHBondContact O-N 2.91Å; Y1022-L1025 WeakPolarHBondContact O-CB 3.43Å; Y1022-L1025 PolarHBondContact O-N 3.38Å; Y1022-L1025 VanDerWaalsContact O-N 3.11Å; Y1022-Y1026 HydrophobicContact CD1-CE1 4.13Å; Y1022-Y1026 WeakPolarHBondContact O-CD1 3.2Å; Y1022-Y1026 WeakPolarHBondContact O-CD2 3.43Å; Y1022-Y1026 PolarHBondContact O-N 3.36Å
1023	E	95.7	Very high	93.3	Very high	48 Å²	48	43.8 Å²	43.8	22%	0.224	24%	0.237	C	C	.	.	H	α-helix	trans	-56.6	-43.1	174.6	172.5	-178.1	-149.8	0	0	112.6	K574 H576 A1019 T1020 Y1026 T1027	K574-E1023 WeakPolarHBondContact CD-OE2 3.48Å; K574-E1023 WeakPolarHBondContact CE-OE2 3.33Å; K574-E1023 IonicContact NZ-OE2 3.94Å; K574-E1023 PolarHBondContact NZ-OE2 3.23Å; H576-E1023 IonicContact CE1-OE1 3.21Å; H576-E1023 PolarHBondContact CE1-OE1 2.61Å; H576-E1023 VanDerWaalsContact CE1-OE1 3.28Å; H576-E1023 IonicContact NE2-OE1 3.67Å; A1019-E1023 WeakPolarHBondContact O-CB 3.39Å; A1019-E1023 PolarHBondContact O-N 2.86Å; T1020-E1023 WeakPolarHBondContact O-CB 3.48Å; T1020-E1023 PolarHBondContact O-N 3.34Å; E1023-Y1026 PolarHBondContact O-N 3.4Å; E1023-T1027 VanDerWaalsContact O-CB 3.28Å; E1023-T1027 WeakPolarHBondContact O-CB 3.47Å; E1023-T1027 PolarHBondContact O-N 3.38Å; E1023-T1027 PolarHBondContact O-OG1 2.87Å
1024	E	95.9	Very high	92.8	Very high	115 Å²	115	50.2 Å²	50.2	54%	0.537	26%	0.26	S	S	.	.	H	α-helix	trans	-60.6	-43.8	173.1	-78.5	-176	-154.2	0	0	112.3	T1020 Y1022 R1028	T1020-E1024 PolarHBondContact O-N 3.06Å; Y1022-E1024 PolarHBondContact O-N 2.91Å; E1024-R1028 WeakPolarHBondContact O-CB 3.48Å; E1024-R1028 PolarHBondContact O-N 2.88Å
1025	L	96.8	Very high	92.1	Very high	15 Å²	15	52.6 Å²	52.6	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-45.1	177.2	-66.8	179.1	0	0	0	111.4	I757 T759 I790 I792 Q1021 Y1022 S1029	I757-L1025 HydrophobicContact CD1-CB 4.08Å; I757-L1025 WeakPolarHBondContact CD1-O 3.2Å; I757-L1025 HydrophobicContact CG2-CB 4.15Å; I757-L1025 HydrophobicContact CG2-CD1 3.84Å; I757-L1025 HydrophobicContact CG2-CG 4.48Å; T759-L1025 HydrophobicContact CG2-CD1 3.85Å; I790-L1025 HydrophobicContact CG2-CD1 3.65Å; I790-L1025 HydrophobicContact CG2-CD2 4.32Å; I792-L1025 HydrophobicContact CD1-CD1 3.67Å; Q1021-L1025 WeakPolarHBondContact O-CG 3.42Å; Q1021-L1025 PolarHBondContact O-N 2.88Å; Q1021-L1025 VanDerWaalsContact O-N 3.17Å; Y1022-L1025 WeakPolarHBondContact O-CB 3.43Å; Y1022-L1025 PolarHBondContact O-N 3.38Å; Y1022-L1025 VanDerWaalsContact O-N 3.11Å; L1025-S1029 WeakPolarHBondContact O-CB 3.28Å; L1025-S1029 PolarHBondContact O-N 2.93Å
1026	Y	97.8	Very high	91.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.7	-56.9	178.3	-62.4	-15.3	0	0	0	110.7	V544 L571 I673 H675 C703 I757 Y1022 E1023 R1028 S1029 V1030	V544-Y1026 HydrophobicContact CG1-CE2 4.41Å; V544-Y1026 HydrophobicContact CG2-CD2 4.4Å; V544-Y1026 HydrophobicContact CG2-CE2 4.48Å; L571-Y1026 HydrophobicContact CD1-CE2 3.83Å; L571-Y1026 HydrophobicContact CD2-CE2 4.05Å; I673-Y1026 HydrophobicContact CD1-CD1 3.9Å; I673-Y1026 HydrophobicContact CD1-CG 3.82Å; I673-Y1026 HydrophobicContact CG1-CD1 4.12Å; I673-Y1026 HydrophobicContact CG1-CD2 4.16Å; I673-Y1026 HydrophobicContact CG1-CG 3.74Å; I673-Y1026 HydrophobicContact CG2-CD1 4.03Å; I673-Y1026 HydrophobicContact CG2-CE1 4.04Å; I673-Y1026 HydrophobicContact CG2-CG 4.35Å; H675-Y1026 PolarHBondContact CE1-OH 2.69Å; H675-Y1026 VanDerWaalsContact CE1-OH 3.3Å; H675-Y1026 AromaticContact ND1-CZ 3.79Å; H675-Y1026 PolarHBondContact ND1-OH 2.72Å; C703-Y1026 HydrophobicContact CB-CE1 4.03Å; I757-Y1026 HydrophobicContact CD1-CD1 3.83Å; Y1022-Y1026 HydrophobicContact CD1-CE1 4.13Å; Y1022-Y1026 WeakPolarHBondContact O-CD1 3.2Å; Y1022-Y1026 WeakPolarHBondContact O-CD2 3.43Å; Y1022-Y1026 PolarHBondContact O-N 3.36Å; E1023-Y1026 PolarHBondContact O-N 3.4Å; Y1026-R1028 VanDerWaalsContact C-N 3.32Å; Y1026-R1028 PolarHBondContact O-N 3.16Å; Y1026-S1029 WeakPolarHBondContact O-CA 3.45Å; Y1026-S1029 WeakPolarHBondContact O-CB 3.3Å; Y1026-S1029 PolarHBondContact O-N 3.35Å; Y1026-V1030 WeakPolarHBondContact O-CG2 3.15Å; Y1026-V1030 PolarHBondContact O-N 3.08Å
1027	T	95	Very high	89.1	Confident	61 Å²	61	59.9 Å²	59.9	37%	0.374	32%	0.321	S	S	.	.	H	α-helix	trans	-56.1	-45.4	179.7	-58.4	0	0	0	0	111.2	E1023 S1029 V1030 S1031	E1023-T1027 VanDerWaalsContact O-CB 3.28Å; E1023-T1027 WeakPolarHBondContact O-CB 3.47Å; E1023-T1027 PolarHBondContact O-N 3.38Å; E1023-T1027 PolarHBondContact O-OG1 2.87Å; T1027-S1029 VanDerWaalsContact C-N 3.29Å; T1027-S1029 PolarHBondContact O-N 2.87Å; T1027-V1030 PolarHBondContact O-N 3.32Å; T1027-S1031 VanDerWaalsContact O-CB 3.28Å; T1027-S1031 WeakPolarHBondContact O-CB 3.48Å; T1027-S1031 PolarHBondContact O-N 3.04Å; T1027-S1031 PolarHBondContact O-OG 3.03Å; T1027-S1031 VanDerWaalsContact O-OG 3.08Å
1028	R	94.2	Very high	86.9	Confident	121 Å²	121	63.6 Å²	63.6	46%	0.457	34%	0.336	S	S	.	.	H	α-helix	trans	-65.5	-28.9	177.5	-173.2	169.8	68.4	-168.3	4.9	113.3	E1024 Y1026 R1032	E1024-R1028 WeakPolarHBondContact O-CB 3.48Å; E1024-R1028 PolarHBondContact O-N 2.88Å; Y1026-R1028 VanDerWaalsContact C-N 3.32Å; Y1026-R1028 PolarHBondContact O-N 3.16Å; R1028-R1032 WeakPolarHBondContact O-CB 3.37Å; R1028-R1032 WeakPolarHBondContact O-CD 3.36Å; R1028-R1032 WeakPolarHBondContact O-CG 3.42Å; R1028-R1032 PolarHBondContact O-N 3.2Å
1029	S	95.2	Very high	84	Confident	14 Å²	14	74.6 Å²	74.6	10%	0.098	38%	0.376	C	S	.	.	H	α-helix	trans	-78.4	-44.5	175.8	-168.4	0	0	0	0	111.8	R701 L1025 Y1026 T1027 R1032 A1033	R701-S1029 WeakPolarHBondContact CB-OG 3.45Å; R701-S1029 WeakPolarHBondContact CG-OG 3.44Å; L1025-S1029 WeakPolarHBondContact O-CB 3.28Å; L1025-S1029 PolarHBondContact O-N 2.93Å; Y1026-S1029 WeakPolarHBondContact O-CA 3.45Å; Y1026-S1029 WeakPolarHBondContact O-CB 3.3Å; Y1026-S1029 PolarHBondContact O-N 3.35Å; T1027-S1029 VanDerWaalsContact C-N 3.29Å; T1027-S1029 PolarHBondContact O-N 2.87Å; S1029-R1032 PolarHBondContact O-N 3.39Å; S1029-A1033 PolarHBondContact O-N 2.78Å; S1029-A1033 VanDerWaalsContact O-N 3.16Å
1030	V	93.8	Very high	81.1	Confident	7 Å²	7	83.8 Å²	83.8	4%	0.042	43%	0.432	C	S	.	.	H	α-helix	trans	-64	-47.3	177.3	173	0	0	0	0	110.8	D672 I673 R701 Y1026 T1027 R1032 A1033 R1034	D672-V1030 HydrophobicContact CB-CG2 4.05Å; I673-V1030 HydrophobicContact CD1-CG2 3.84Å; I673-V1030 HydrophobicContact CG1-CG2 4.49Å; R701-V1030 HydrophobicContact CG-CG2 4.12Å; Y1026-V1030 WeakPolarHBondContact O-CG2 3.15Å; Y1026-V1030 PolarHBondContact O-N 3.08Å; T1027-V1030 PolarHBondContact O-N 3.32Å; V1030-R1032 VanDerWaalsContact C-N 3.31Å; V1030-R1032 PolarHBondContact O-N 2.79Å; V1030-A1033 WeakPolarHBondContact O-CB 3.16Å; V1030-A1033 PolarHBondContact O-N 3.19Å; V1030-R1034 HydrophobicContact CG1-CG 4.36Å; V1030-R1034 VanDerWaalsContact CG1-NE 3.31Å; V1030-R1034 WeakPolarHBondContact O-CG 3.28Å; V1030-R1034 PolarHBondContact O-N 2.9Å
1031	S	90.2	Very high	80.4	Confident	68 Å²	68	85.6 Å²	85.6	48%	0.476	44%	0.439	S	S	.	.	H	α-helix	trans	-60.7	-37	175.9	-66.9	0	0	0	0	112.7	T1027 A1033 R1034 A1035	T1027-S1031 VanDerWaalsContact O-CB 3.28Å; T1027-S1031 WeakPolarHBondContact O-CB 3.48Å; T1027-S1031 PolarHBondContact O-N 3.04Å; T1027-S1031 PolarHBondContact O-OG 3.03Å; T1027-S1031 VanDerWaalsContact O-OG 3.08Å; S1031-A1033 VanDerWaalsContact C-N 3.32Å; S1031-A1033 PolarHBondContact O-N 3.18Å; S1031-R1034 PolarHBondContact O-N 3.46Å; S1031-A1035 WeakPolarHBondContact O-CB 3.49Å; S1031-A1035 PolarHBondContact O-N 2.97Å
1032	R	88.9	Confident	79.6	Confident	150 Å²	150	86.2 Å²	86.2	57%	0.566	44%	0.444	S	S	*	.	H	α-helix	trans	-64.2	-34.6	173.3	-81.2	172.4	-178.1	170.2	4	112.9	R1028 S1029 V1030	R1028-R1032 WeakPolarHBondContact O-CB 3.37Å; R1028-R1032 WeakPolarHBondContact O-CD 3.36Å; R1028-R1032 WeakPolarHBondContact O-CG 3.42Å; R1028-R1032 PolarHBondContact O-N 3.2Å; S1029-R1032 PolarHBondContact O-N 3.39Å; V1030-R1032 VanDerWaalsContact C-N 3.31Å; V1030-R1032 PolarHBondContact O-N 2.79Å
1033	A	86.7	Confident	78.6	Confident	28 Å²	28	90.9 Å²	90.9	23%	0.231	47%	0.468	C	S	.	.	H	α-helix	trans	-72.5	-49.2	175.2	0	0	0	0	0	111.7	R701 S1029 V1030 S1031 A1035 V1036	R701-A1033 VanDerWaalsContact CZ-CB 3.46Å; S1029-A1033 PolarHBondContact O-N 2.78Å; S1029-A1033 VanDerWaalsContact O-N 3.16Å; V1030-A1033 WeakPolarHBondContact O-CB 3.16Å; V1030-A1033 PolarHBondContact O-N 3.19Å; S1031-A1033 VanDerWaalsContact C-N 3.32Å; S1031-A1033 PolarHBondContact O-N 3.18Å; A1033-A1035 PolarHBondContact O-N 3.12Å; A1033-V1036 PolarHBondContact O-N 3.2Å; A1033-V1036 VanDerWaalsContact O-N 3.12Å
1034	R	83.1	Confident	77.6	Confident	151 Å²	151	93.5 Å²	93.5	57%	0.57	48%	0.483	S	S	*	.	H	α-helix	trans	-62.6	-23.3	178.6	-63.8	-179.9	-173.6	179.4	4.2	112.9	D672 V1030 S1031	D672-R1034 IonicContact OD1-CZ 3.63Å; D672-R1034 IonicContact OD1-NH2 2.74Å; D672-R1034 PolarHBondContact OD1-NH2 3.49Å; D672-R1034 IonicContact OD2-NH2 2.69Å; V1030-R1034 HydrophobicContact CG1-CG 4.36Å; V1030-R1034 VanDerWaalsContact CG1-NE 3.31Å; V1030-R1034 WeakPolarHBondContact O-CG 3.28Å; V1030-R1034 PolarHBondContact O-N 2.9Å; S1031-R1034 PolarHBondContact O-N 3.46Å
1035	A	77.5	Confident	76.5	Confident	78 Å²	78	92.1 Å²	92.1	65%	0.645	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-5.6	176.8	0	0	0	0	0	115.3	S1031 A1033 P1037	S1031-A1035 WeakPolarHBondContact O-CB 3.49Å; S1031-A1035 PolarHBondContact O-N 2.97Å; A1033-A1035 PolarHBondContact O-N 3.12Å; A1035-P1037 VanDerWaalsContact O-CD 3.31Å; A1035-P1037 WeakPolarHBondContact O-CD 3.31Å
1036	V	71.4	Confident	75.2	Confident	96 Å²	96	97.3 Å²	97.3	58%	0.582	51%	0.506	S	S	*	.	S	Bend	trans	-86.2	111	169.9	175	0	0	0	0	108	A1033 N1038	A1033-V1036 PolarHBondContact O-N 3.2Å; A1033-V1036 VanDerWaalsContact O-N 3.12Å; V1036-N1038 PolarHBondContact O-N 2.86Å
1037	P	45	Very low	73.5	Confident	101 Å²	101	104.2 Å²	104.2	66%	0.656	54%	0.542	S	S	*	.			trans	-64.7	138.2	172.8	28.4	-34.2	0	0	0	109.3	A1035 R1039	A1035-P1037 VanDerWaalsContact O-CD 3.31Å; A1035-P1037 WeakPolarHBondContact O-CD 3.31Å; P1037-R1039 PolarHBondContact O-N 3.49Å
1038	N	43.5	Very low	71.9	Confident	150 Å²	150	107.5 Å²	107.5	80%	0.802	56%	0.555	S	S	*	*			trans	-54.3	102.5	-178.7	-76.5	-4	0	0	0	111.1	V1036 T1040	V1036-N1038 PolarHBondContact O-N 2.86Å; N1038-T1040 VanDerWaalsContact C-N 3.34Å; N1038-T1040 PolarHBondContact O-N 3.36Å
1039	R	31.9	Very low	70	Confident	241 Å²	241	106.4 Å²	106.4	91%	0.909	56%	0.563	S	S	*	*			trans	-92.7	74.8	167.1	-76.8	-171.6	171	-165.7	-2	108.8	P1037	P1037-R1039 PolarHBondContact O-N 3.49Å
1040	T	32.9	Very low	67.7	Low	193 Å²	193	114.8 Å²	114.8	100%	1.184	61%	0.606	S	S	*	*			trans	-121	0	167.2	51.9	0	0	0	0	107.6	N1038	N1038-T1040 VanDerWaalsContact C-N 3.34Å; N1038-T1040 PolarHBondContact O-N 3.36Å

Retrieved 1,040 of 1,040 residues in 325.5 ms (Link to these results)

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