A0A077ZAM2_TRITR Loading...

6-phosphofructokinase

Catalyzes the phosphorylation of D-fructose 6-phosphate to fructose 1,6-bisphosphate by ATP, the first committing step of glycolysis.

AlphaFold DB , UniProt , Accession A0A077ZAM2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 918 aa.

						>A0A077ZAM2_TRITR|A0A077ZAM2
MQSSRILGRAPHVGPSPSVPLFENILENEPLEVTVRRTTSAASRLGREGENVSPLSHRGRVIAVFTSGGDSQVKMPEDTEASEAADVVPAMTSMSRQRLVSRMDSIVACAGREGDFVLPRCMVGRCLGVFTSGGDSQGLATHVPFSPVPRRVALVDLRFYIIFCRMGLYLGCQVYFIHEGYQGMVDGGNNITLANWNSVSDIIQRSGTIIGSARSKDFRTPEGRLKAADNLLKYGITNLVCVGGDGSLTAKDFLVPSWFTFTILIIGANTFRHEWPSLLQQLVQKGSITAEKAAQFPNINIVGLVGSIDNDFCGTDMTIGTDTALHRIIEAVDAVQSTAQSHQRSFVVEVMGRHCGYLALVAALASEADWAFIPEWPPPVDWRDILCQKLHEAREHGQRVNIIIVAEGALDRDGNPITSEMVRDVIVERLNYDTRVTVLGHVQRGGNPSAFDRQLGSRMGAEAVLALMDTSPDTEPSVIALDGNSIVRVPLMQCVERTKRVQKAMEEKNWELAVKLRGRSFLRNLETYKLLTKMRPPTDKDTLSGGHKFTLAVMNVGAPACGMNAAVRSFVRNALCHNCRVLGIKDSFEGLIKGSVQEMNWHDVTNWSMYGGSFLGTQKSLPTKDIDKVVSQLRTFKIDGLFLIGGFEAFHSCLIMTELRSKFKEFCIPMVALPCTISNNVPGTSFSIGSDTALNEICNLIDKVKQSAIGTKRRVFIVETMGGYCGYLATVSALASGADNAYIFEEPFNVDDIKEDVQVIAQKMVKGVQRYIIMRSESANPNYTTQFIMQLFSEEGKGEFSTRINVLGHAQQGGSPTPFDRNLATRMAAHAVETLVSKAREGVQPNGTVYTDKEDSAVLLGMRDRRTQCTPVAELKDQADFSHRVPRDQWWLKLRPLLRILSKHDSIYEISAVKVDLK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.2	Very low	35.2	Very low	240 Å²	240	159.5 Å²	159.5	100%	1.182	86%	0.863	S	S	*	*				0	139.6	0	-76.7	170.5	163.8	0	0	107.9
2	Q	35	Very low	35	Very low	181 Å²	181	162.7 Å²	162.7	85%	0.846	87%	0.867	S	S	*	*			trans	47.7	99	175	-69.4	175.9	-16.7	0	0	116.7
3	S	34.3	Very low	35.3	Very low	103 Å²	103	160.9 Å²	160.9	72%	0.72	87%	0.866	S	S	*	*				66.9	134.1	76.8	71.2	0	0	0	0	113.5
4	S	35.4	Very low	35.2	Very low	115 Å²	115	153.9 Å²	153.9	80%	0.804	85%	0.85	S	S	*	*			cis	-165.4	168.4	3.7	34.3	0	0	0	0	111
5	R	34.1	Very low	35.3	Very low	232 Å²	232	152.5 Å²	152.5	88%	0.875	85%	0.851	S	S	*	*			trans	-63.1	162.5	175.4	-58.2	167.6	175.9	168.8	-3.7	112.7
6	I	40	Very low	35	Very low	167 Å²	167	150.4 Å²	150.4	86%	0.856	85%	0.85	S	S	*	*				-174.5	138.3	118.7	-92.7	151.8	0	0	0	110.7
7	L	33.6	Very low	35	Very low	181 Å²	181	148.4 Å²	148.4	95%	0.948	84%	0.844	S	S	*	*			trans	-83.3	138.6	168.6	-85.7	123.6	0	0	0	110.4
8	G	35.3	Very low	35	Very low	76 Å²	76	146.6 Å²	146.6	78%	0.784	84%	0.843	S	S	*	*			trans	-142.3	124.8	179.4	0	0	0	0	0	113
9	R	33.9	Very low	35	Very low	248 Å²	248	145.3 Å²	145.3	94%	0.936	84%	0.837	S	S	*	*			trans	-49	151.3	-175.7	-66.1	165.9	168.8	172.5	-5.8	116.2
10	A	29.6	Very low	34.9	Very low	96 Å²	96	143.8 Å²	143.8	79%	0.793	83%	0.833	S	S	*	*			trans	-73.9	158.4	161.5	0	0	0	0	0	112.5
11	P	38.9	Very low	34.9	Very low	115 Å²	115	143.9 Å²	143.9	75%	0.747	83%	0.829	S	S	*	*			trans	-119.1	147	150	35.6	-25.8	0	0	0	112.3
12	H	33	Very low	34.6	Very low	198 Å²	198	141.7 Å²	141.7	92%	0.917	81%	0.814	S	S	*	*			trans	-65	142	165.1	-82.8	-93	0	0	0	110.8
13	V	39	Very low	34.3	Very low	140 Å²	140	141 Å²	141	85%	0.848	81%	0.811	S	S	*	*			trans	-125.9	112.9	158.2	-179.1	0	0	0	0	108.1
14	G	33.5	Very low	34	Very low	63 Å²	63	142.9 Å²	142.9	65%	0.649	81%	0.812	S	S	*	*			trans	-90.7	-175.8	173.3	0	0	0	0	0	112.9
15	P	37.1	Very low	33.8	Very low	132 Å²	132	145 Å²	145	86%	0.857	81%	0.813	S	S	*	*			trans	-104.7	166.3	-138.6	38.3	-37.4	0	0	0	115.9
16	S	30.8	Very low	33.6	Very low	119 Å²	119	140.5 Å²	140.5	83%	0.832	81%	0.805	S	S	*	*			trans	-109.7	125.9	167.1	60	0	0	0	0	112
17	P	34.3	Very low	33	Very low	116 Å²	116	140.3 Å²	140.3	75%	0.753	80%	0.801	S	S	*	*			trans	-101.7	-170.9	175.9	39.6	-34.9	0	0	0	113.4
18	S	35.2	Very low	32.8	Very low	117 Å²	117	139 Å²	139	82%	0.818	80%	0.795	S	S	*	*			trans	85.4	141.4	176.9	82.7	0	0	0	0	115.2
19	V	34.4	Very low	32.6	Very low	121 Å²	121	144.6 Å²	144.6	73%	0.733	80%	0.801	S	S	*	*			cis	-140.6	144	13	176.9	0	0	0	0	110.4
20	P	34.3	Very low	32.3	Very low	116 Å²	116	138.2 Å²	138.2	75%	0.753	79%	0.791	S	S	*	*			trans	-97.4	154.7	170.2	37.5	-32.3	0	0	0	112.8
21	L	34	Very low	32.4	Very low	146 Å²	146	141.8 Å²	141.8	76%	0.764	80%	0.796	S	S	*	*			trans	-164.2	143.8	161.4	-108.1	151.5	0	0	0	113.8
22	F	30.4	Very low	31.8	Very low	194 Å²	194	144.5 Å²	144.5	85%	0.851	80%	0.799	S	S	*	*			trans	81.3	117.7	171.6	-71.2	-70.3	0	0	0	120.9
23	E	29.3	Very low	31.6	Very low	167 Å²	167	141.2 Å²	141.2	78%	0.78	79%	0.793	S	S	*	*			trans	-96.4	166.5	178.3	-56.2	165.9	112.9	0	0	111.7
24	N	27.9	Very low	31	Very low	142 Å²	142	140 Å²	140	76%	0.759	79%	0.785	S	S	*	*			trans	48.3	108.6	148	-61.4	-25.3	0	0	0	119.9
25	I	31.2	Very low	30.6	Very low	158 Å²	158	142.9 Å²	142.9	81%	0.81	79%	0.79	S	S	*	*			trans	-155.3	120.6	138.4	-101.8	146.9	0	0	0	109.4
26	L	30.5	Very low	30	Very low	138 Å²	138	147.2 Å²	147.2	72%	0.723	79%	0.79	S	S	*	*			trans	43	120.4	143.1	-47.8	173.7	0	0	0	118.6
27	E	28.2	Very low	29.6	Very low	164 Å²	164	152.6 Å²	152.6	77%	0.766	79%	0.791	S	S	*	*				58	118.2	71.6	-66.4	-167.4	152.3	0	0	114.6
28	N	29.2	Very low	29.3	Very low	154 Å²	154	153.4 Å²	153.4	82%	0.824	79%	0.794	S	S	*	*			trans	36.9	105.5	155.1	-59.5	-32.9	0	0	0	119.5
29	E	29.7	Very low	28.8	Very low	192 Å²	192	154.4 Å²	154.4	90%	0.897	80%	0.796	S	S	*	*				-166.1	154.9	127.6	-108.9	179.7	-163.1	0	0	111.4
30	P	29.2	Very low	28.5	Very low	114 Å²	114	154.2 Å²	154.2	74%	0.74	80%	0.8	S	S	*	*			trans	-85.4	137.1	-178.1	34	-31	0	0	0	111.8	E32	P30-E32 PolarHBondContact O-N 3.37Å
31	L	30.5	Very low	28.2	Very low	172 Å²	172	153 Å²	153	90%	0.901	80%	0.8	S	S	*	*			trans	-70.5	98.8	175	-90.1	158.8	0	0	0	111.7	V33	L31-V33 PolarHBondContact O-N 2.95Å
32	E	25.9	Very low	27.8	Very low	172 Å²	172	151.3 Å²	151.3	80%	0.804	81%	0.807	S	S	*	*			trans	-61.2	116.1	161.9	-76.3	-162.7	136	0	0	110.5	P30 T34	P30-E32 PolarHBondContact O-N 3.37Å; E32-T34 PolarHBondContact O-N 2.92Å
33	V	28.5	Very low	27.8	Very low	129 Å²	129	146.8 Å²	146.8	78%	0.782	80%	0.799	S	S	*	*			trans	-82.5	97.4	169.5	179.1	0	0	0	0	109.2	L31 V35	L31-V33 PolarHBondContact O-N 2.95Å; V33-V35 PolarHBondContact O-N 3.25Å; V33-V35 VanDerWaalsContact O-N 3.09Å
34	T	26.4	Very low	27.6	Very low	113 Å²	113	150.3 Å²	150.3	69%	0.693	81%	0.805	S	S	*	*			trans	-64.9	106.5	176.5	-44.2	0	0	0	0	111.5	E32 R36	E32-T34 PolarHBondContact O-N 2.92Å; T34-R36 PolarHBondContact O-N 3.33Å
35	V	25	Very low	27.9	Very low	124 Å²	124	152.3 Å²	152.3	75%	0.752	82%	0.815	S	S	*	*			trans	-72.9	93.6	175.9	-179.1	0	0	0	0	110.8	V33 R37	V33-V35 PolarHBondContact O-N 3.25Å; V33-V35 VanDerWaalsContact O-N 3.09Å; V35-R37 PolarHBondContact O-N 3.07Å
36	R	26.1	Very low	27.7	Very low	224 Å²	224	148.2 Å²	148.2	85%	0.845	81%	0.812	S	S	*	*			trans	-75.1	104	166.4	-82.3	-171	172.3	-173.8	-0.8	110.5	T34 T38	T34-R36 PolarHBondContact O-N 3.33Å; R36-T38 PolarHBondContact O-N 3.37Å
37	R	22.5	Very low	27.7	Very low	231 Å²	231	153.7 Å²	153.7	87%	0.872	82%	0.823	S	S	*	*			trans	-62.1	124.9	162.4	-72.2	178.4	171.9	175.2	-2.5	109.7	V35	V35-R37 PolarHBondContact O-N 3.07Å
38	T	27.7	Very low	27.7	Very low	133 Å²	133	155.4 Å²	155.4	82%	0.816	83%	0.831	S	S	*	*			trans	-124.4	116.9	160.3	39.2	0	0	0	0	109.8	R36	R36-T38 PolarHBondContact O-N 3.37Å
39	T	23.6	Very low	27.6	Very low	138 Å²	138	151.5 Å²	151.5	85%	0.847	83%	0.828	S	S	*	*			trans	-99.9	105.3	178.7	45	0	0	0	0	110.5
40	S	27.6	Very low	27.7	Very low	118 Å²	118	151.4 Å²	151.4	83%	0.825	83%	0.827	S	S	*	*			trans	-173.3	150.6	157.5	54	0	0	0	0	108.7
41	A	29.6	Very low	27.5	Very low	91 Å²	91	154.3 Å²	154.3	75%	0.752	84%	0.836	S	S	*	*			cis	-134.8	137.5	0	0	0	0	0	0	110.6
42	A	25	Very low	27.5	Very low	110 Å²	110	152.4 Å²	152.4	91%	0.909	83%	0.831	S	S	*	*			trans	-98.7	112.7	165.8	0	0	0	0	0	109.1
43	S	30.5	Very low	27.5	Very low	99 Å²	99	148.8 Å²	148.8	69%	0.692	83%	0.825	S	S	*	*			trans	-154.6	100	166.7	60.4	0	0	0	0	113.4
44	R	26	Very low	27.6	Very low	240 Å²	240	148.7 Å²	148.7	91%	0.906	83%	0.827	S	S	*	*			trans	46	113.9	136.6	-54.5	176.6	-172.7	-174.8	1.1	118.1
45	L	32.9	Very low	27.6	Very low	184 Å²	184	151 Å²	151	96%	0.963	84%	0.835	S	S	*	*				-163.6	122.2	113	-101.9	159.4	0	0	0	108.3
46	G	26.8	Very low	27.7	Very low	73 Å²	73	150.1 Å²	150.1	75%	0.753	83%	0.834	S	S	*	*			trans	-107.8	158.1	-175.3	0	0	0	0	0	112.9
47	R	31.4	Very low	27.8	Very low	253 Å²	253	148.3 Å²	148.3	96%	0.955	84%	0.835	S	S	*	*			trans	-143.1	144.8	144.7	-107.4	178.9	178.9	179.9	-1	108.7
48	E	28.2	Very low	28	Very low	200 Å²	200	148.6 Å²	148.6	94%	0.935	84%	0.836	S	S	*	*			trans	-86.9	160.3	-163.4	-59.7	163.4	129.8	0	0	112.4
49	G	27.4	Very low	27.9	Very low	72 Å²	72	145.4 Å²	145.4	74%	0.742	83%	0.829	S	S	*	*			trans	105.9	79.6	158.3	0	0	0	0	0	116.3
50	E	30.7	Very low	28.1	Very low	190 Å²	190	150 Å²	150	89%	0.888	83%	0.831	S	S	*	*				178.9	130.4	114.8	-96.8	175.3	-174.9	0	0	111	V52	E50-V52 PolarHBondContact O-N 2.99Å
51	N	25.2	Very low	27.9	Very low	175 Å²	175	150.4 Å²	150.4	94%	0.936	83%	0.828	S	S	*	*			trans	-82.7	110.1	177.7	-81.6	-41.2	0	0	0	110.2
52	V	29.5	Very low	27.7	Very low	131 Å²	131	152.9 Å²	152.9	79%	0.794	83%	0.827	S	S	*	*			trans	-127.7	115.6	163.4	-174.4	0	0	0	0	109.5	E50	E50-V52 PolarHBondContact O-N 2.99Å
53	S	27	Very low	27.7	Very low	97 Å²	97	150.7 Å²	150.7	68%	0.678	81%	0.809	S	S	*	*			trans	-73.5	139.8	179.2	44	0	0	0	0	111.8	L55	S53-L55 PolarHBondContact O-N 2.98Å; S53-L55 VanDerWaalsContact O-N 3.15Å
54	P	29.9	Very low	27.5	Very low	127 Å²	127	151.7 Å²	151.7	83%	0.825	81%	0.811	S	S	*	*			trans	-73.7	108	174.3	28.8	-32.4	0	0	0	110.4	S56	P54-S56 PolarHBondContact O-N 2.96Å
55	L	27.9	Very low	27.4	Very low	161 Å²	161	149 Å²	149	84%	0.843	81%	0.806	S	S	*	*			trans	-65.9	116.2	170.5	-88	161.2	0	0	0	110.3	S53 H57	S53-L55 PolarHBondContact O-N 2.98Å; S53-L55 VanDerWaalsContact O-N 3.15Å; L55-H57 PolarHBondContact O-N 3.42Å
56	S	26	Very low	27.1	Very low	105 Å²	105	146.5 Å²	146.5	73%	0.734	80%	0.798	S	S	*	*			trans	-75	106.6	177	52.9	0	0	0	0	111.4	P54 R58	P54-S56 PolarHBondContact O-N 2.96Å; S56-R58 PolarHBondContact O-N 3.16Å
57	H	29.1	Very low	27.2	Very low	186 Å²	186	148.5 Å²	148.5	86%	0.861	80%	0.801	S	S	*	*			trans	-81.2	106.6	166.3	-93.7	11.9	0	0	0	110.7	L55 G59	L55-H57 PolarHBondContact O-N 3.42Å; H57-G59 PolarHBondContact O-N 3.41Å
58	R	25.7	Very low	26.8	Very low	237 Å²	237	140.5 Å²	140.5	89%	0.894	80%	0.797	S	S	*	*			trans	-68.1	88.1	173.5	-72.7	179.5	170	179.2	-4	110.9	S56 R60	S56-R58 PolarHBondContact O-N 3.16Å; R58-R60 PolarHBondContact O-N 2.7Å
59	G	26.5	Very low	26.9	Very low	66 Å²	66	134.5 Å²	134.5	68%	0.68	79%	0.789	S	S	*	*			trans	-65.3	125.6	159.4	0	0	0	0	0	109.9	H57 V61	H57-G59 PolarHBondContact O-N 3.41Å; G59-V61 PolarHBondContact O-N 2.94Å; G59-V61 VanDerWaalsContact O-N 3.17Å
60	R	26.4	Very low	26.8	Very low	236 Å²	236	139 Å²	139	89%	0.891	80%	0.796	S	S	*	*			trans	-71.5	106.8	178.3	-76.9	178.7	172	169.3	-3.8	110.4	R58 I62	R58-R60 PolarHBondContact O-N 2.7Å; R60-I62 PolarHBondContact O-N 3.43Å
61	V	24.4	Very low	26.9	Very low	126 Å²	126	136 Å²	136	76%	0.764	80%	0.796	S	S	*	*			trans	-72.3	112.4	160.4	179.5	0	0	0	0	107.8	G59 A63	G59-V61 PolarHBondContact O-N 2.94Å; G59-V61 VanDerWaalsContact O-N 3.17Å; V61-A63 HydrophobicContact CG1-CB 4.39Å; V61-A63 PolarHBondContact O-N 3.43Å
62	I	25.6	Very low	26.9	Very low	143 Å²	143	136.8 Å²	136.8	73%	0.733	79%	0.794	S	S	*	*			trans	-92.1	90.5	167.6	-58.2	179.4	0	0	0	107	R60 V64	R60-I62 PolarHBondContact O-N 3.43Å; I62-V64 HydrophobicContact CG2-CG2 4.11Å; I62-V64 PolarHBondContact O-N 3.42Å
63	A	24.1	Very low	26.9	Very low	63 Å²	63	137.8 Å²	137.8	52%	0.521	80%	0.8	S	S	.	*			trans	-82.3	106	170	0	0	0	0	0	109.1	V61 F65	V61-A63 HydrophobicContact CG1-CB 4.39Å; V61-A63 PolarHBondContact O-N 3.43Å; A63-F65 HydrophobicContact CB-CD2 4Å; A63-F65 HydrophobicContact CB-CE2 3.68Å; A63-F65 PolarHBondContact O-N 3.48Å
64	V	26.5	Very low	27	Very low	121 Å²	121	142.2 Å²	142.2	73%	0.733	81%	0.807	S	S	*	*			trans	-86.3	97.5	168.1	-177.6	0	0	0	0	107.8	I62 T66	I62-V64 HydrophobicContact CG2-CG2 4.11Å; I62-V64 PolarHBondContact O-N 3.42Å; V64-T66 HydrophobicContact CG1-CG2 4.4Å
65	F	23.5	Very low	26.9	Very low	183 Å²	183	144.6 Å²	144.6	80%	0.803	81%	0.809	S	S	*	*			trans	-82.3	126.7	168.2	-74.6	-90.4	0	0	0	109.7	A63	A63-F65 HydrophobicContact CB-CD2 4Å; A63-F65 HydrophobicContact CB-CE2 3.68Å; A63-F65 PolarHBondContact O-N 3.48Å
66	T	26.5	Very low	27.1	Very low	131 Å²	131	141.7 Å²	141.7	80%	0.804	80%	0.8	S	S	*	*			trans	-125.4	89.3	162	54.2	0	0	0	0	108.8	V64	V64-T66 HydrophobicContact CG1-CG2 4.4Å
67	S	29.1	Very low	27.3	Very low	116 Å²	116	144.8 Å²	144.8	81%	0.811	80%	0.803	S	S	*	*			trans	-85.4	116.8	171	52.2	0	0	0	0	110
68	G	24.5	Very low	27.3	Very low	84 Å²	84	142.7 Å²	142.7	87%	0.866	80%	0.798	S	S	*	*			trans	-77.4	140.9	163.7	0	0	0	0	0	110.7
69	G	28.7	Very low	27.5	Very low	75 Å²	75	138.2 Å²	138.2	77%	0.773	80%	0.797	S	S	*	*			trans	-174.6	108.4	176.8	0	0	0	0	0	110.9
70	D	26.8	Very low	27.5	Very low	167 Å²	167	144.1 Å²	144.1	89%	0.893	81%	0.807	S	S	*	*			trans	-67.3	138	-179.3	-69.7	-62.7	0	0	0	112.8
71	S	31.3	Very low	27.7	Very low	125 Å²	125	137.3 Å²	137.3	87%	0.874	80%	0.802	S	S	*	*			trans	-166	134.9	139.2	8.5	0	0	0	0	111.7
72	Q	26.1	Very low	27.9	Very low	193 Å²	193	135.9 Å²	135.9	90%	0.902	80%	0.797	S	S	*	*			trans	-82.8	132.9	-179.2	-58.8	172.4	-9.8	0	0	112.2
73	V	29.4	Very low	28.1	Very low	151 Å²	151	138.1 Å²	138.1	92%	0.915	81%	0.805	S	S	*	*			trans	-145.9	145.1	145	-172.4	0	0	0	0	109.3
74	K	28.1	Very low	28.5	Very low	190 Å²	190	139.8 Å²	139.8	83%	0.826	82%	0.818	S	S	*	*			trans	-89.6	144	-176.3	-68.8	174.1	172.6	177.6	0	113.3
75	M	28.1	Very low	28.7	Very low	177 Å²	177	138.4 Å²	138.4	87%	0.872	82%	0.819	S	S	*	*				31.5	162.2	124.6	-56.8	-61.6	-172.3	0	0	121.4
76	P	33.4	Very low	29.2	Very low	101 Å²	101	136.9 Å²	136.9	66%	0.656	82%	0.819	S	S	*	*			cis	-138.7	173.4	4.8	31.1	-7.3	0	0	0	117.7
77	E	29.8	Very low	29.4	Very low	169 Å²	169	136.4 Å²	136.4	79%	0.79	82%	0.816	S	S	*	*			trans	47.9	131.3	136.3	-65.6	165.3	165.7	0	0	125.3
78	D	28.3	Very low	29.5	Very low	143 Å²	143	137.8 Å²	137.8	77%	0.765	82%	0.82	S	S	*	*			trans	92.6	144.4	131.5	-72.9	-1.2	0	0	0	126.7
79	T	29.8	Very low	29.8	Very low	142 Å²	142	139 Å²	139	87%	0.871	81%	0.812	S	S	*	*			trans	92.2	146.4	155.5	29.9	0	0	0	0	122.8
80	E	27.9	Very low	29.5	Very low	190 Å²	190	140.1 Å²	140.1	89%	0.888	81%	0.814	S	S	*	*			trans	-102.1	-173.1	-160.6	-52.6	176.9	114.6	0	0	114.5
81	A	28.9	Very low	29.5	Very low	94 Å²	94	141.4 Å²	141.4	78%	0.777	82%	0.817	S	S	*	*			trans	79.1	152.4	162.6	0	0	0	0	0	117.8
82	S	28.6	Very low	29.3	Very low	95 Å²	95	142.1 Å²	142.1	66%	0.664	82%	0.816	S	S	*	*			cis	-176.6	159.4	-25.2	55	0	0	0	0	109.8
83	E	30.4	Very low	29.2	Very low	191 Å²	191	138.6 Å²	138.6	89%	0.893	81%	0.813	S	S	*	*			trans	65.3	152.9	161.8	-64.1	179	167.3	0	0	117.3
84	A	31.7	Very low	29	Very low	97 Å²	97	139.4 Å²	139.4	80%	0.802	81%	0.809	S	S	*	*			cis	-163.4	170.1	1.8	0	0	0	0	0	108.7
85	A	32.3	Very low	28.9	Very low	92 Å²	92	136.4 Å²	136.4	76%	0.76	81%	0.812	S	S	*	*			cis	-162	-114.8	-13.8	0	0	0	0	0	111.6
86	D	33.5	Very low	28.7	Very low	151 Å²	151	138.1 Å²	138.1	81%	0.807	81%	0.808	S	S	*	*			trans	57.2	64.2	163.5	-64.8	3.3	0	0	0	123.9
87	V	31.2	Very low	28.3	Very low	122 Å²	122	141.3 Å²	141.3	74%	0.739	82%	0.815	S	S	*	*				37.2	112.9	115.8	-170	0	0	0	0	121.3
88	V	30.5	Very low	28	Very low	145 Å²	145	144.7 Å²	144.7	88%	0.879	82%	0.82	S	S	*	*			trans	-144.2	137	132.1	-178	0	0	0	0	108.8
89	P	29.9	Very low	27.8	Very low	109 Å²	109	144.8 Å²	144.8	71%	0.708	82%	0.82	S	S	*	*			trans	-106.9	166.7	-164.9	39.9	-36.1	0	0	0	117.5
90	A	24.3	Very low	27.6	Very low	98 Å²	98	143.7 Å²	143.7	81%	0.81	81%	0.813	S	S	*	*			trans	74.8	90.8	152.3	0	0	0	0	0	120.6
91	M	25.9	Very low	27.5	Very low	194 Å²	194	138.6 Å²	138.6	96%	0.956	80%	0.798	S	S	*	*				-147.1	141.1	124.3	-115.3	-174.1	179.8	0	0	112
92	T	27.3	Very low	27.6	Very low	140 Å²	140	144.9 Å²	144.9	86%	0.859	80%	0.802	S	S	*	*			trans	-56	138.7	-162.6	21.4	0	0	0	0	117	M94	T92-M94 PolarHBondContact O-N 3.2Å
93	S	23.7	Very low	28	Very low	119 Å²	119	148.5 Å²	148.5	83%	0.832	81%	0.81	S	S	*	*			trans	-70.3	102.7	175	42.9	0	0	0	0	113.1
94	M	24.6	Very low	28.9	Very low	168 Å²	168	141.9 Å²	141.9	83%	0.828	78%	0.781	S	S	*	*			trans	-156.1	23.5	160.2	-119.3	-178.1	-160.4	0	0	117.4	T92 R96	T92-M94 PolarHBondContact O-N 3.2Å; M94-R96 PolarHBondContact O-N 2.79Å
95	S	25.9	Very low	30.1	Very low	127 Å²	127	140.5 Å²	140.5	89%	0.888	77%	0.765	S	S	*	*			trans	-79.2	51.9	164.7	49.8	0	0	0	0	111.9	Q97	S95-Q97 PolarHBondContact O-N 2.91Å
96	R	25.2	Very low	31.5	Very low	214 Å²	214	137.2 Å²	137.2	81%	0.808	74%	0.735	S	S	*	*			trans	-53.4	127.8	172.8	-108.1	-177.1	177.5	170.4	-0.5	109.4	M94 R98	M94-R96 PolarHBondContact O-N 2.79Å; R96-R98 PolarHBondContact O-N 2.98Å
97	Q	25.2	Very low	33.3	Very low	168 Å²	168	134.8 Å²	134.8	79%	0.785	73%	0.725	S	S	*	*			trans	-25.7	99.5	158.8	-65.2	156.8	-35.4	0	0	111.6	S95 L99	S95-Q97 PolarHBondContact O-N 2.91Å; Q97-L99 PolarHBondContact O-N 2.62Å
98	R	23.3	Very low	35.3	Very low	239 Å²	239	130.4 Å²	130.4	90%	0.902	70%	0.702	S	S	*	*			trans	-76	71.7	159.9	-80.7	-170	177.4	-178.6	0.6	108.1	R96 V100	R96-R98 PolarHBondContact O-N 2.98Å; R98-V100 PolarHBondContact O-N 3.18Å
99	L	24.2	Very low	37.6	Very low	146 Å²	146	127.3 Å²	127.3	76%	0.764	69%	0.685	S	S	*	*			trans	-59.2	75.1	148.5	-99.2	149.2	0	0	0	107.3	Q97 S101	Q97-L99 PolarHBondContact O-N 2.62Å; L99-S101 VanDerWaalsContact C-N 3.33Å; L99-S101 PolarHBondContact O-N 3.28Å
100	V	25.8	Very low	39.8	Very low	118 Å²	118	125.5 Å²	125.5	72%	0.715	68%	0.68	S	S	*	*			trans	-61.2	107.6	153.4	178.9	0	0	0	0	103.8	R98 R102	R98-V100 PolarHBondContact O-N 3.18Å; V100-R102 PolarHBondContact O-N 3.18Å
101	S	24.6	Very low	42.1	Very low	83 Å²	83	121.9 Å²	121.9	58%	0.58	65%	0.652	S	S	*	*			trans	-54.8	114.8	178.1	47.3	0	0	0	0	107.9	L99 M103	L99-S101 VanDerWaalsContact C-N 3.33Å; L99-S101 PolarHBondContact O-N 3.28Å; S101-M103 PolarHBondContact O-N 2.93Å
102	R	30.6	Very low	44.6	Very low	226 Å²	226	116.7 Å²	116.7	85%	0.853	62%	0.622	S	S	*	*			trans	-68.1	92.5	172.4	-78.1	-172.8	175.9	-174.6	0.5	106.8	V100 D104	V100-R102 PolarHBondContact O-N 3.18Å; R102-D104 CarbonylContact O-C 3.57Å; R102-D104 PolarHBondContact O-N 3.09Å
103	M	37.9	Very low	46.8	Very low	171 Å²	171	112.6 Å²	112.6	84%	0.842	59%	0.593	S	S	*	*	S	Bend	trans	-64.8	-11.2	175.2	-74.2	-177.8	129.7	0	0	112.7	S101 S105	S101-M103 PolarHBondContact O-N 2.93Å; M103-S105 PolarHBondContact O-N 3.36Å
104	D	50.2	Low	48.8	Very low	52 Å²	52	108.6 Å²	108.6	28%	0.278	57%	0.57	S	S	.	*			trans	-81.5	94.3	159.6	-70.7	-54.6	0	0	0	109.3	R102 I106 R497 R519	R102-D104 CarbonylContact O-C 3.57Å; R102-D104 PolarHBondContact O-N 3.09Å; D104-I106 PolarHBondContact O-N 3.38Å; D104-R497 IonicContact OD1-CZ 3.19Å; D104-R497 IonicContact OD1-NH1 2.67Å; D104-R497 PolarHBondContact OD1-NH1 2.8Å; D104-R497 IonicContact OD1-NH2 3.37Å; D104-R497 PolarHBondContact OD1-NH2 2.84Å; D104-R497 VanDerWaalsContact OD1-NH2 3.15Å; D104-R519 IonicContact OD2-CZ 2.74Å; D104-R519 VanDerWaalsContact OD2-CZ 3.23Å; D104-R519 IonicContact OD2-NE 3.8Å; D104-R519 PolarHBondContact OD2-NE 3.09Å; D104-R519 IonicContact OD2-NH2 3.2Å; D104-R519 PolarHBondContact OD2-NH2 3.47Å
105	S	55.4	Low	51.3	Low	68 Å²	68	104 Å²	104	48%	0.476	55%	0.549	S	S	.	.			trans	-73.6	-10	-179	61	0	0	0	0	114.6	M103 Q493	M103-S105 PolarHBondContact O-N 3.36Å; S105-Q493 PolarHBondContact O-OE1 2.85Å
106	I	63.1	Low	53.4	Low	23 Å²	23	104.2 Å²	104.2	12%	0.118	53%	0.534	C	S	.	.			trans	-90.1	114.8	-179.5	-58	173.2	0	0	0	108.3	D104 V489 Q493 R497	D104-I106 PolarHBondContact O-N 3.38Å; I106-V489 HydrophobicContact CG2-CB 3.92Å; I106-V489 HydrophobicContact CG2-CG1 3.94Å; I106-Q493 HydrophobicContact CG1-CB 4.14Å; I106-R497 HydrophobicContact CD1-CB 4.27Å
107	V	71.5	Confident	55.9	Low	101 Å²	101	94.8 Å²	94.8	61%	0.612	50%	0.501	S	S	*	.			trans	-91.4	108.8	175.9	-177.8	0	0	0	0	108.7	P490	V107-P490 WeakPolarHBondContact O-CD 3.28Å
108	A	72.2	Confident	58.5	Low	29 Å²	29	92.1 Å²	92.1	24%	0.24	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-86.2	125.7	179.8	0	0	0	0	0	111.7	V487 V489	A108-V487 HydrophobicContact CB-CB 4.05Å; A108-V487 HydrophobicContact CB-CG1 4.37Å; A108-V487 HydrophobicContact CB-CG2 4.1Å; A108-V489 HydrophobicContact CB-CG1 3.72Å
109	C	78	Confident	61	Low	80 Å²	80	83.7 Å²	83.7	54%	0.541	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	142.1	167.5	-69.2	0	0	0	0	109.8	V487 R488	C109-V487 CarbonylContact O-C 3.53Å; C109-V487 WeakPolarHBondContact O-CA 3.38Å; C109-V487 WeakPolarHBondContact O-CB 3.29Å; C109-R488 HydrophobicContact CB-CB 4.29Å; C109-R488 PolarHBondContact N-O 2.92Å; C109-R488 PolarHBondContact O-N 2.74Å
110	A	77.4	Confident	63.7	Low	72 Å²	72	84.4 Å²	84.4	60%	0.595	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	140.5	175.5	0	0	0	0	0	110.8
111	G	71.2	Confident	66.4	Low	21 Å²	21	82.4 Å²	82.4	22%	0.216	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-73.1	171.9	167.5	0	0	0	0	0	112.3	E462 I486	G111-E462 WeakPolarHBondContact CA-OE1 3.38Å; G111-I486 PolarHBondContact N-O 3.29Å; G111-I486 VanDerWaalsContact N-O 3.15Å
112	R	78.6	Confident	69.2	Low	86 Å²	86	80.5 Å²	80.5	33%	0.325	43%	0.433	S	S	.	.			trans	-99.9	26.4	-179	-64.5	-172.9	64.5	-166.6	-7.1	112.6	G114 D115 E462 L465 D469	R112-G114 PolarHBondContact O-N 3.11Å; R112-D115 HydrophobicContact CB-CB 4.38Å; R112-D115 IonicContact CZ-OD2 3.47Å; R112-D115 IonicContact NE-OD2 3.76Å; R112-D115 PolarHBondContact NE-OD2 2.88Å; R112-D115 IonicContact NH2-OD2 3.57Å; R112-D115 PolarHBondContact NH2-OD2 2.97Å; R112-D115 WeakPolarHBondContact O-CB 3.42Å; R112-D115 PolarHBondContact O-N 3.02Å; R112-D115 VanDerWaalsContact O-N 3.09Å; R112-E462 VanDerWaalsContact N-CD 3.3Å; R112-E462 PolarHBondContact N-OE1 3.29Å; R112-E462 VanDerWaalsContact N-OE1 3.11Å; R112-E462 PolarHBondContact N-OE2 3.16Å; R112-L465 HydrophobicContact CB-CD1 3.97Å; R112-D469 WeakPolarHBondContact CD-OD2 3.37Å; R112-D469 IonicContact NH1-OD1 3.62Å; R112-D469 PolarHBondContact NH1-OD1 2.98Å; R112-D469 IonicContact NH1-OD2 3.72Å
113	E	73.4	Confident	71.6	Confident	53 Å²	53	74.8 Å²	74.8	25%	0.248	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	118	-178.2	-176.9	173.2	71.3	0	0	111.8	R458 L894	E113-R458 IonicContact OE1-CZ 3.78Å; E113-R458 IonicContact OE1-NE 3.81Å; E113-R458 IonicContact OE1-NH2 3.73Å; E113-R458 PolarHBondContact OE1-NH2 3.48Å; E113-R458 WeakPolarHBondContact OE2-CB 3.24Å; E113-R458 VanDerWaalsContact OE2-CG 3.3Å; E113-R458 WeakPolarHBondContact OE2-CG 3.38Å; E113-R458 IonicContact OE2-CZ 2.79Å; E113-R458 IonicContact OE2-NE 2.62Å; E113-R458 PolarHBondContact OE2-NE 3.24Å; E113-R458 IonicContact OE2-NH2 3.66Å; E113-R458 PolarHBondContact OE2-NH2 3.27Å; E113-L894 HydrophobicContact CG-CD2 4.03Å; E113-L894 WeakPolarHBondContact OE2-CD2 3.37Å
114	G	67.5	Low	73.6	Confident	35 Å²	35	69.6 Å²	69.6	36%	0.361	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	-6.7	-176	0	0	0	0	0	114.7	R112 K893	R112-G114 PolarHBondContact O-N 3.11Å; G114-K893 WeakPolarHBondContact CA-O 3.48Å
115	D	75.6	Confident	75.4	Confident	72 Å²	72	71.5 Å²	71.5	39%	0.385	42%	0.417	S	S	.	.			trans	-59.4	143.9	169.6	-81.5	7.7	0	0	0	110.5	R112 V117	R112-D115 HydrophobicContact CB-CB 4.38Å; R112-D115 IonicContact CZ-OD2 3.47Å; R112-D115 IonicContact NE-OD2 3.76Å; R112-D115 PolarHBondContact NE-OD2 2.88Å; R112-D115 IonicContact NH2-OD2 3.57Å; R112-D115 PolarHBondContact NH2-OD2 2.97Å; R112-D115 WeakPolarHBondContact O-CB 3.42Å; R112-D115 PolarHBondContact O-N 3.02Å; R112-D115 VanDerWaalsContact O-N 3.09Å; D115-V117 PolarHBondContact O-N 3.17Å
116	F	70.8	Confident	77.1	Confident	131 Å²	131	68.9 Å²	68.9	58%	0.575	40%	0.398	S	S	*	.			trans	-74.5	124.1	168.5	-177.8	-101.1	0	0	0	110.1	L118 I910	F116-L118 HydrophobicContact CE1-CD2 3.73Å; F116-L118 HydrophobicContact CE1-CG 4.06Å; F116-L118 HydrophobicContact CZ-CD2 4.43Å; F116-I910 HydrophobicContact CE2-CD1 3.76Å; F116-I910 HydrophobicContact CZ-CD1 3.68Å
117	V	77.9	Confident	78.6	Confident	17 Å²	17	67.8 Å²	67.8	10%	0.103	39%	0.393	C	S	.	.			trans	-114.7	118.1	-177.8	-174.1	0	0	0	0	109.5	D115 Y169 L170 L465	D115-V117 PolarHBondContact O-N 3.17Å; V117-Y169 HydrophobicContact CB-CE1 4.49Å; V117-Y169 HydrophobicContact CG1-CE1 4.4Å; V117-Y169 WeakPolarHBondContact O-CE1 3.27Å; V117-Y169 PolarHBondContact O-OH 2.95Å; V117-L170 HydrophobicContact CG1-CD2 3.36Å; V117-L170 HydrophobicContact CG1-CG 4.49Å; V117-L465 HydrophobicContact CG1-CD2 4.34Å; V117-L465 HydrophobicContact CG2-CD2 4.12Å
118	L	78.5	Confident	79.5	Confident	111 Å²	111	63 Å²	63	58%	0.581	36%	0.363	S	S	*	.			trans	-66.4	135.7	177.2	-77.4	167.2	0	0	0	110.8	F116 C121	F116-L118 HydrophobicContact CE1-CD2 3.73Å; F116-L118 HydrophobicContact CE1-CG 4.06Å; F116-L118 HydrophobicContact CZ-CD2 4.43Å; L118-C121 HydrophobicContact CB-CB 4.4Å; L118-C121 PolarHBondContact O-SG 3.41Å
119	P	77.7	Confident	80.3	Confident	62 Å²	62	61.6 Å²	61.6	40%	0.403	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	149.7	173.7	29.2	-33.8	0	0	0	110.7	C121 Y169	P119-C121 PolarHBondContact O-N 3.46Å; P119-C121 VanDerWaalsContact O-N 3.11Å; P119-Y169 WeakPolarHBondContact CA-O 3.28Å; P119-Y169 HydrophobicContact CB-CD2 4.34Å; P119-Y169 HydrophobicContact CB-CE1 4.36Å; P119-Y169 HydrophobicContact CB-CE2 3.76Å
120	R	80.9	Confident	80.7	Confident	161 Å²	161	57.9 Å²	57.9	61%	0.608	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	24.6	172.3	-57.8	-177.1	179.4	-175.7	0	115.5	M122 V123 Y169 L170 D905	R120-M122 VanDerWaalsContact C-N 3.31Å; R120-M122 PolarHBondContact O-N 3.19Å; R120-V123 HydrophobicContact CB-CG2 4.03Å; R120-V123 WeakPolarHBondContact O-CG2 3.18Å; R120-Y169 PolarHBondContact N-O 3.29Å; R120-L170 CarbonylContact C-O 3.52Å; R120-L170 VanDerWaalsContact C-O 3.3Å; R120-L170 VanDerWaalsContact CA-O 3.24Å; R120-L170 WeakPolarHBondContact CA-O 3.33Å; R120-D905 IonicContact CZ-OD1 3.21Å; R120-D905 IonicContact NH2-OD1 2.77Å; R120-D905 PolarHBondContact NH2-OD1 3.4Å
121	C	82.6	Confident	80.7	Confident	76 Å²	76	54.5 Å²	54.5	51%	0.514	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-10	178.7	66.3	0	0	0	0	114.7	L118 P119 L170	L118-C121 HydrophobicContact CB-CB 4.4Å; L118-C121 PolarHBondContact O-SG 3.41Å; P119-C121 PolarHBondContact O-N 3.46Å; P119-C121 VanDerWaalsContact O-N 3.11Å; C121-L170 PolarHBondContact N-O 3.12Å; C121-L170 VanDerWaalsContact SG-CD2 3.58Å
122	M	82.6	Confident	80.6	Confident	43 Å²	43	53.6 Å²	53.6	21%	0.212	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	34.9	-176.2	-69	-64.8	-150.5	0	0	112.9	R120 G124 R125 L170 C172 M468	R120-M122 VanDerWaalsContact C-N 3.31Å; R120-M122 PolarHBondContact O-N 3.19Å; M122-G124 PolarHBondContact O-N 3.31Å; M122-R125 PolarHBondContact O-N 2.77Å; M122-L170 CarbonylContact C-O 3.59Å; M122-L170 WeakPolarHBondContact CA-O 3.46Å; M122-L170 HydrophobicContact CB-CB 4.38Å; M122-L170 PolarHBondContact N-O 3.4Å; M122-C172 PolarHBondContact O-SG 2.79Å; M122-M468 HydrophobicContact CB-SD 3.88Å; M122-M468 HydrophobicContact CE-CB 3.68Å; M122-M468 HydrophobicContact CE-CG 4.05Å; M122-M468 HydrophobicContact CE-SD 3.9Å; M122-M468 HydrophobicContact CG-CG 4.05Å; M122-M468 HydrophobicContact CG-SD 3.59Å; M122-M468 VanDerWaalsContact CG-SD 3.59Å; M122-M468 HydrophobicContact SD-SD 4.11Å
123	V	80.9	Confident	79.8	Confident	106 Å²	106	49.6 Å²	49.6	64%	0.642	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	133.8	176.4	173.1	0	0	0	0	111	R120 G171	R120-V123 HydrophobicContact CB-CG2 4.03Å; R120-V123 WeakPolarHBondContact O-CG2 3.18Å; V123-G171 WeakPolarHBondContact CA-O 3.43Å
124	G	80.4	Confident	78.5	Confident	63 Å²	63	47.3 Å²	47.3	65%	0.649	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	-12.3	179.1	0	0	0	0	0	115.2	M122	M122-G124 PolarHBondContact O-N 3.31Å
125	R	87.7	Confident	77.3	Confident	92 Å²	92	46.3 Å²	46.3	35%	0.347	25%	0.252	S	S	.	.			trans	-74.4	140.1	169.5	-68.9	-169	177.1	-165.3	4.6	110.8	M122 C172 Q173 M468	M122-R125 PolarHBondContact O-N 2.77Å; R125-C172 CarbonylContact O-C 3.59Å; R125-C172 VanDerWaalsContact O-CA 3.23Å; R125-C172 WeakPolarHBondContact O-CA 3.48Å; R125-C172 WeakPolarHBondContact O-CB 3.27Å; R125-Q173 PolarHBondContact O-N 2.92Å; R125-M468 PolarHBondContact NH1-O 3.09Å
126	C	91.6	Very high	75	Confident	13 Å²	13	47 Å²	47	9%	0.088	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	133.6	174.4	-62.4	0	0	0	0	110.8	Q173 Y175 G235 I236 N238	C126-Q173 CarbonylContact C-O 3.58Å; C126-Q173 WeakPolarHBondContact CA-O 3.48Å; C126-Y175 HydrophobicContact CB-CE2 4.32Å; C126-G235 WeakPolarHBondContact CB-O 3.18Å; C126-I236 HydrophobicContact CB-CG1 4.37Å; C126-N238 PolarHBondContact O-ND2 3.1Å
127	L	92.7	Very high	72.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.4	-179.6	-71.8	176.7	0	0	0	108.9	F163 C172 Q173 V174 Y175 N238 V464 L467 M468	L127-F163 HydrophobicContact CB-CE1 4.3Å; L127-F163 HydrophobicContact CB-CZ 3.81Å; L127-F163 HydrophobicContact CD1-CE2 4.46Å; L127-F163 HydrophobicContact CD1-CZ 4.3Å; L127-F163 HydrophobicContact CD2-CZ 4.47Å; L127-F163 HydrophobicContact CG-CZ 4.42Å; L127-C172 HydrophobicContact CD1-CB 3.75Å; L127-C172 HydrophobicContact CG-CB 4.01Å; L127-Q173 PolarHBondContact N-O 2.87Å; L127-V174 HydrophobicContact CB-CG1 4.49Å; L127-V174 HydrophobicContact CB-CG2 4.38Å; L127-V174 HydrophobicContact CD1-CG2 4.24Å; L127-V174 CarbonylContact O-C 3.56Å; L127-V174 WeakPolarHBondContact O-CA 3.46Å; L127-Y175 PolarHBondContact O-N 2.7Å; L127-N238 CarbonylContact C-O 3.57Å; L127-N238 WeakPolarHBondContact CA-O 3.47Å; L127-N238 HydrophobicContact CD2-CB 3.58Å; L127-V464 HydrophobicContact CD1-CG1 4.05Å; L127-L467 HydrophobicContact CD2-CB 4.39Å; L127-L467 HydrophobicContact CD2-CD1 3.97Å; L127-M468 HydrophobicContact CD1-CE 4.3Å; L127-M468 HydrophobicContact CD2-CE 3.46Å; L127-M468 VanDerWaalsContact CD2-CE 3.46Å; L127-M468 HydrophobicContact CG-CE 4.16Å
128	G	91.2	Very high	70.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.6	171.9	0	0	0	0	0	110.8	Y175 N238 L239 V240	G128-Y175 WeakPolarHBondContact CA-O 3.47Å; G128-N238 PolarHBondContact N-O 3.42Å; G128-L239 WeakPolarHBondContact O-CA 3.38Å; G128-V240 PolarHBondContact O-N 3.25Å
129	V	89.2	Confident	67.5	Low	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	136.6	173.6	65.1	0	0	0	0	111.3	F159 Y160 F163 Y175 F176 I177 V240	V129-F159 HydrophobicContact CG2-CD2 4.49Å; V129-F159 HydrophobicContact CG2-CE2 3.69Å; V129-Y160 HydrophobicContact CG1-CD1 3.82Å; V129-Y160 HydrophobicContact CG1-CE1 4.04Å; V129-Y160 HydrophobicContact CG2-CD1 4.16Å; V129-Y160 HydrophobicContact CG2-CE1 3.98Å; V129-F163 HydrophobicContact CB-CD1 3.82Å; V129-F163 HydrophobicContact CB-CE1 3.43Å; V129-F163 VanDerWaalsContact CB-CE1 3.43Å; V129-F163 HydrophobicContact CB-CZ 3.96Å; V129-F163 HydrophobicContact CG1-CD1 3.66Å; V129-F163 HydrophobicContact CG1-CE1 3.52Å; V129-F163 HydrophobicContact CG2-CD1 4.31Å; V129-F163 HydrophobicContact CG2-CE1 4.3Å; V129-Y175 PolarHBondContact N-O 2.81Å; V129-F176 HydrophobicContact CG1-CD1 3.68Å; V129-F176 HydrophobicContact CG1-CE1 4.04Å; V129-I177 PolarHBondContact O-N 2.68Å; V129-V240 WeakPolarHBondContact CA-O 3.26Å; V129-V240 HydrophobicContact CB-CB 4.37Å; V129-V240 HydrophobicContact CG2-CB 3.93Å; V129-V240 HydrophobicContact CG2-CG1 4.09Å
130	F	85.9	Confident	64.9	Low	2 Å²	2	54.3 Å²	54.3	1%	0.009	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	143.1	-177.2	72.5	-85.2	0	0	0	110.9	I177 Y181 M184 L239 V240 C241 V242	F130-I177 HydrophobicContact CB-CB 3.83Å; F130-I177 HydrophobicContact CB-CD1 4.4Å; F130-I177 HydrophobicContact CB-CG2 4.21Å; F130-Y181 HydrophobicContact CE2-CD1 4.04Å; F130-Y181 HydrophobicContact CE2-CD2 4.32Å; F130-Y181 AromaticContact CE2-CE1 3.58Å; F130-Y181 HydrophobicContact CE2-CE1 3.58Å; F130-Y181 AromaticContact CE2-CE2 3.9Å; F130-Y181 HydrophobicContact CE2-CE2 3.9Å; F130-Y181 HydrophobicContact CE2-CG 4.38Å; F130-Y181 AromaticContact CE2-CZ 3.5Å; F130-Y181 VanDerWaalsContact CE2-CZ 3.5Å; F130-Y181 HydrophobicContact CZ-CD1 4.39Å; F130-Y181 AromaticContact CZ-CE1 3.61Å; F130-Y181 HydrophobicContact CZ-CE1 3.61Å; F130-Y181 HydrophobicContact CZ-CE2 4.49Å; F130-Y181 AromaticContact CZ-CZ 3.66Å; F130-M184 HydrophobicContact CD1-CE 3.73Å; F130-M184 HydrophobicContact CD2-CE 4.41Å; F130-M184 HydrophobicContact CE1-CE 3.75Å; F130-M184 HydrophobicContact CE2-CE 4.42Å; F130-M184 HydrophobicContact CG-CE 4.07Å; F130-M184 HydrophobicContact CZ-CE 4.1Å; F130-L239 HydrophobicContact CE1-CB 4.41Å; F130-L239 HydrophobicContact CE1-CD1 4.29Å; F130-V240 WeakPolarHBondContact CD1-O 3.41Å; F130-V240 PolarHBondContact N-O 2.95Å; F130-C241 HydrophobicContact CE1-CB 3.67Å; F130-C241 HydrophobicContact CE2-CB 4.17Å; F130-C241 VanDerWaalsContact CE2-SG 3.53Å; F130-C241 HydrophobicContact CZ-CB 3.47Å; F130-C241 VanDerWaalsContact CZ-CB 3.47Å; F130-C241 WeakPolarHBondContact CZ-SG 3.27Å; F130-V242 PolarHBondContact O-N 3.12Å; F130-V242 VanDerWaalsContact O-N 3.11Å
131	T	78.6	Confident	62.1	Low	0 Å²	0	53.7 Å²	53.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	126.2	165.9	7.1	0	0	0	0	109.2	D135 V155 Y160 G180 T208 I210 G211 V242	T131-D135 WeakPolarHBondContact CG2-OD2 3.49Å; T131-V155 HydrophobicContact CG2-CB 3.34Å; T131-V155 HydrophobicContact CG2-CG1 3.07Å; T131-V155 HydrophobicContact CG2-CG2 3.78Å; T131-Y160 WeakPolarHBondContact CB-OH 3.42Å; T131-Y160 WeakPolarHBondContact CG2-OH 3.18Å; T131-Y160 PolarHBondContact OG1-OH 3.35Å; T131-G180 WeakPolarHBondContact O-CA 3.43Å; T131-G180 PolarHBondContact O-N 3.36Å; T131-T208 PolarHBondContact OG1-OG1 2.79Å; T131-I210 WeakPolarHBondContact OG1-CG1 3.35Å; T131-G211 WeakPolarHBondContact CB-O 3.34Å; T131-G211 PolarHBondContact OG1-O 3.29Å; T131-V242 WeakPolarHBondContact CA-O 3.4Å
132	S	69.4	Low	59.2	Low	2 Å²	2	59 Å²	59	1%	0.014	36%	0.359	C	S	.	.			trans	-135.2	126.9	163.6	-164.7	0	0	0	0	109.1	Y181 S212 V242 G243 L264	S132-Y181 VanDerWaalsContact OG-CD2 3.28Å; S132-Y181 WeakPolarHBondContact OG-CD2 3.18Å; S132-S212 WeakPolarHBondContact CA-OG 3.29Å; S132-V242 PolarHBondContact N-O 2.77Å; S132-G243 WeakPolarHBondContact O-CA 3.5Å; S132-L264 WeakPolarHBondContact O-CD1 3.5Å; S132-L264 WeakPolarHBondContact O-CD2 3.35Å; S132-L264 WeakPolarHBondContact OG-CD1 3.26Å
133	G	61.6	Low	56.6	Low	2 Å²	2	63.4 Å²	63.4	2%	0.021	39%	0.388	C	S	.	.	S	Bend	trans	168.4	-174.8	-160.6	0	0	0	0	0	108.8	S212 S247	G133-S212 PolarHBondContact N-OG 2.92Å; G133-S212 PolarHBondContact O-OG 3.06Å; G133-S247 WeakPolarHBondContact CA-OG 3.22Å; G133-S247 PolarHBondContact N-OG 2.89Å; G133-S247 VanDerWaalsContact N-OG 3.16Å
134	G	45.7	Very low	54	Low	6 Å²	6	63.3 Å²	63.3	6%	0.062	39%	0.39	C	S	.	.			trans	-78.9	143.5	144.5	0	0	0	0	0	108.9	R151 A153	G134-R151 WeakPolarHBondContact CA-O 3.37Å; G134-A153 CarbonylContact O-C 3.56Å; G134-A153 VanDerWaalsContact O-CA 3.29Å; G134-A153 WeakPolarHBondContact O-CA 3.45Å; G134-A153 VanDerWaalsContact O-CB 3.29Å; G134-A153 WeakPolarHBondContact O-CB 3.5Å; G134-A153 PolarHBondContact O-N 3.23Å
135	D	42.8	Very low	51.3	Low	14 Å²	14	70 Å²	70	8%	0.075	40%	0.402	C	S	.	.			trans	-161	155.2	150.2	47	52.2	0	0	0	106.2	T131 T208 S212	T131-D135 WeakPolarHBondContact CG2-OD2 3.49Å; D135-T208 HydrophobicContact CB-CG2 4.03Å; D135-T208 WeakPolarHBondContact OD1-CG2 3.24Å; D135-T208 VanDerWaalsContact OD2-CG2 3.25Å; D135-T208 WeakPolarHBondContact OD2-CG2 3.4Å; D135-S212 VanDerWaalsContact CG-CB 3.42Å; D135-S212 WeakPolarHBondContact OD1-CB 3.39Å; D135-S212 PolarHBondContact OD1-N 2.82Å; D135-S212 VanDerWaalsContact OD1-N 3.09Å; D135-S212 WeakPolarHBondContact OD2-CB 3.49Å
136	S	26	Very low	48.3	Very low	85 Å²	85	71 Å²	71	59%	0.594	42%	0.423	S	S	*	.			trans	-166.4	120.2	173.1	64	0	0	0	0	111.9
137	Q	25.5	Very low	45.4	Very low	140 Å²	140	76.2 Å²	76.2	65%	0.654	46%	0.456	S	S	*	.			trans	-107.1	129.2	154.1	-76.8	-176.3	-7	0	0	108.3	S206	Q137-S206 PolarHBondContact NE2-O 2.93Å
138	G	22.9	Very low	42.3	Very low	76 Å²	76	82.1 Å²	82.1	78%	0.784	49%	0.492	S	S	*	.			trans	-96.8	147.3	-176.7	0	0	0	0	0	112.8
139	L	22.7	Very low	39.4	Very low	173 Å²	173	87.2 Å²	87.2	91%	0.906	53%	0.525	S	S	*	.			trans	-145.4	114.8	160.7	-110.8	159.8	0	0	0	110.3
140	A	21.6	Very low	36.4	Very low	86 Å²	86	97 Å²	97	71%	0.711	56%	0.562	S	S	*	*			trans	53.1	111	159.8	0	0	0	0	0	121.1
141	T	22.1	Very low	33.8	Very low	148 Å²	148	103.3 Å²	103.3	91%	0.908	59%	0.586	S	S	*	*				-166.2	147	122.9	13.2	0	0	0	0	111.6
142	H	22.4	Very low	31.7	Very low	188 Å²	188	104.1 Å²	104.1	87%	0.87	59%	0.591	S	S	*	*			trans	-82.4	121.2	-173.3	-64.9	-110.9	0	0	0	113.4
143	V	27.5	Very low	30	Very low	136 Å²	136	104.6 Å²	104.6	82%	0.824	59%	0.594	S	S	*	*			trans	-159.5	137.9	140.3	-156.4	0	0	0	0	109.2
144	P	25.9	Very low	28.8	Very low	104 Å²	104	105 Å²	105	68%	0.675	60%	0.596	S	S	*	*			trans	-79.3	170.2	168	32.9	-35.3	0	0	0	112.8
145	F	25.3	Very low	28.8	Very low	203 Å²	203	104.7 Å²	104.7	89%	0.89	59%	0.593	S	S	*	*	S	Bend	trans	90.3	101.4	-178.6	-70.4	-92.3	0	0	0	117.9
146	S	24.5	Very low	29.2	Very low	114 Å²	114	104.3 Å²	104.3	80%	0.797	59%	0.591	S	S	*	*			trans	57.1	105.2	153.9	-159.6	0	0	0	0	120.2
147	P	30.3	Very low	30.5	Very low	121 Å²	121	100.3 Å²	100.3	79%	0.786	56%	0.563	S	S	*	*			trans	-118.4	119.3	161.1	34.1	-20.6	0	0	0	113.1
148	V	27.6	Very low	32.1	Very low	125 Å²	125	93.8 Å²	93.8	76%	0.758	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-60.6	133.7	162.6	179.3	0	0	0	0	109	R150	V148-R150 PolarHBondContact O-N 2.7Å
149	P	29.6	Very low	34.2	Very low	106 Å²	106	90.2 Å²	90.2	69%	0.688	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-67.4	128.8	-168.4	24.4	-33.9	0	0	0	113.1
150	R	27.4	Very low	36.5	Very low	205 Å²	205	82 Å²	82	77%	0.774	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-80.4	135.4	172.1	-58.9	179.6	-176.3	-173.7	1.8	108.8	V148	V148-R150 PolarHBondContact O-N 2.7Å
151	R	29.5	Very low	38.7	Very low	136 Å²	136	78.3 Å²	78.3	51%	0.513	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-84.1	136.1	-178.1	-63.7	178.1	177.5	-178.6	-7.2	110	G134 T249	G134-R151 WeakPolarHBondContact CA-O 3.37Å; R151-T249 PolarHBondContact NH1-OG1 2.65Å; R151-T249 VanDerWaalsContact NH1-OG1 3.14Å
152	V	34.8	Very low	41.3	Very low	17 Å²	17	71.4 Å²	71.4	10%	0.103	38%	0.378	C	S	.	.			trans	-135.5	121.4	-163.9	171.9	0	0	0	0	108.2	R444	V152-R444 HydrophobicContact CG1-CB 4.46Å; V152-R444 WeakPolarHBondContact O-CD 3.38Å; V152-R444 PolarHBondContact O-NE 2.88Å; V152-R444 PolarHBondContact O-NH1 2.94Å; V152-R444 VanDerWaalsContact O-NH1 3.16Å
153	A	33.4	Very low	44.2	Very low	11 Å²	11	62.4 Å²	62.4	9%	0.091	34%	0.337	C	S	.	.			trans	-94.4	160	162.8	0	0	0	0	0	108.8	G134 V155	G134-A153 CarbonylContact O-C 3.56Å; G134-A153 VanDerWaalsContact O-CA 3.29Å; G134-A153 WeakPolarHBondContact O-CA 3.45Å; G134-A153 VanDerWaalsContact O-CB 3.29Å; G134-A153 WeakPolarHBondContact O-CB 3.5Å; G134-A153 PolarHBondContact O-N 3.23Å; A153-V155 HydrophobicContact CB-CG2 4.45Å; A153-V155 PolarHBondContact O-N 2.8Å
154	L	36.5	Very low	46.9	Very low	10 Å²	10	56 Å²	56	5%	0.052	30%	0.297	C	S	.	.			trans	-84.4	91	162.6	-91.6	171.3	0	0	0	107.3	S206 I308 T323 R444	L154-S206 WeakPolarHBondContact CD2-OG 3.32Å; L154-I308 HydrophobicContact CB-CG2 3.99Å; L154-I308 HydrophobicContact CD1-CG2 3.98Å; L154-I308 HydrophobicContact CG-CG2 4.31Å; L154-T323 HydrophobicContact CD1-CG2 4.12Å; L154-R444 VanDerWaalsContact CD2-O 3.3Å; L154-R444 WeakPolarHBondContact CD2-O 3.47Å; L154-R444 HydrophobicContact CG-CB 4.46Å; L154-R444 WeakPolarHBondContact CG-O 3.39Å
155	V	45.7	Very low	49.8	Very low	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.271	C	S	.	.			trans	-84.1	132.8	160.7	-167.8	0	0	0	0	108.6	T131 A153 F159 G207 V242	T131-V155 HydrophobicContact CG2-CB 3.34Å; T131-V155 HydrophobicContact CG2-CG1 3.07Å; T131-V155 HydrophobicContact CG2-CG2 3.78Å; A153-V155 HydrophobicContact CB-CG2 4.45Å; A153-V155 PolarHBondContact O-N 2.8Å; V155-F159 HydrophobicContact CG1-CE1 3.63Å; V155-F159 HydrophobicContact CG1-CZ 4.1Å; V155-G207 CarbonylContact O-C 3.6Å; V155-V242 HydrophobicContact CG1-CB 3.92Å; V155-V242 HydrophobicContact CG1-CG1 3.46Å; V155-V242 VanDerWaalsContact CG1-CG1 3.46Å
156	D	51.5	Low	52.8	Low	6 Å²	6	43.2 Å²	43.2	3%	0.032	23%	0.23	C	C	.	.			trans	-100.5	123.6	-156.1	169.9	18.9	0	0	0	112.4	R158 F159 I319	D156-R158 PolarHBondContact O-N 3.11Å; D156-R158 VanDerWaalsContact OD1-CB 3.31Å; D156-R158 WeakPolarHBondContact OD1-CB 3.48Å; D156-R158 WeakPolarHBondContact OD1-CD 3.39Å; D156-R158 WeakPolarHBondContact OD1-CG 3.49Å; D156-R158 IonicContact OD1-CZ 2.76Å; D156-R158 PolarHBondContact OD1-N 2.99Å; D156-R158 IonicContact OD1-NE 3.85Å; D156-R158 PolarHBondContact OD1-NE 2.85Å; D156-R158 IonicContact OD1-NH2 3.66Å; D156-R158 PolarHBondContact OD1-NH2 2.84Å; D156-R158 IonicContact OD2-CZ 3.37Å; D156-R158 IonicContact OD2-NE 2.7Å; D156-R158 PolarHBondContact OD2-NE 3.46Å; D156-R158 IonicContact OD2-NH2 3.28Å; D156-R158 PolarHBondContact OD2-NH2 3.38Å; D156-F159 HydrophobicContact CB-CD1 4.47Å; D156-F159 WeakPolarHBondContact O-CD1 3.46Å; D156-F159 WeakPolarHBondContact O-CE1 3.36Å; D156-I319 HydrophobicContact CB-CG2 3.54Å; D156-I319 WeakPolarHBondContact OD2-CG2 3.5Å
157	L	53.2	Low	55.8	Low	2 Å²	2	37.8 Å²	37.8	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-53.2	-22.7	176.8	-89.2	156.8	0	0	0	116.3	Y160 I202 R205 G207 I209	L157-Y160 HydrophobicContact CD2-CD2 4.26Å; L157-Y160 PolarHBondContact O-N 2.86Å; L157-I202 HydrophobicContact CB-CB 4.38Å; L157-I202 HydrophobicContact CB-CG1 4.41Å; L157-I202 HydrophobicContact CD2-CB 4.02Å; L157-I202 HydrophobicContact CD2-CD1 3.69Å; L157-I202 HydrophobicContact CD2-CG1 4.14Å; L157-R205 HydrophobicContact CD1-CB 3.56Å; L157-G207 VanDerWaalsContact CD1-O 3.23Å; L157-G207 WeakPolarHBondContact CD1-O 3.32Å; L157-G207 WeakPolarHBondContact CG-O 3.23Å; L157-G207 PolarHBondContact N-O 2.9Å; L157-I209 HydrophobicContact CD1-CG2 4.13Å; L157-I209 HydrophobicContact CD2-CB 3.68Å; L157-I209 HydrophobicContact CD2-CD1 3.87Å; L157-I209 HydrophobicContact CD2-CG1 3.44Å; L157-I209 VanDerWaalsContact CD2-CG1 3.44Å; L157-I209 HydrophobicContact CD2-CG2 3.29Å; L157-I209 HydrophobicContact CG-CG2 4.32Å
158	R	59.5	Low	58.6	Low	3 Å²	3	34.5 Å²	34.5	1%	0.011	17%	0.168	C	C	.	.	H	α-helix	trans	-77.1	-31.3	-165.2	-57.9	170.7	-60	-158.1	-25.4	113.2	D156 I203 P448 S449 D452 R453	D156-R158 PolarHBondContact O-N 3.11Å; D156-R158 VanDerWaalsContact OD1-CB 3.31Å; D156-R158 WeakPolarHBondContact OD1-CB 3.48Å; D156-R158 WeakPolarHBondContact OD1-CD 3.39Å; D156-R158 WeakPolarHBondContact OD1-CG 3.49Å; D156-R158 IonicContact OD1-CZ 2.76Å; D156-R158 PolarHBondContact OD1-N 2.99Å; D156-R158 IonicContact OD1-NE 3.85Å; D156-R158 PolarHBondContact OD1-NE 2.85Å; D156-R158 IonicContact OD1-NH2 3.66Å; D156-R158 PolarHBondContact OD1-NH2 2.84Å; D156-R158 IonicContact OD2-CZ 3.37Å; D156-R158 IonicContact OD2-NE 2.7Å; D156-R158 PolarHBondContact OD2-NE 3.46Å; D156-R158 IonicContact OD2-NH2 3.28Å; D156-R158 PolarHBondContact OD2-NH2 3.38Å; R158-I203 HydrophobicContact CB-CG1 4.33Å; R158-I203 WeakPolarHBondContact CD-O 3.47Å; R158-I203 HydrophobicContact CG-CG1 3.83Å; R158-I203 VanDerWaalsContact CG-O 3.22Å; R158-I203 WeakPolarHBondContact CG-O 3.44Å; R158-P448 VanDerWaalsContact CZ-CB 3.48Å; R158-P448 VanDerWaalsContact NH1-CG 3.32Å; R158-S449 PolarHBondContact NH1-O 3.25Å; R158-D452 VanDerWaalsContact NH1-CB 3.28Å; R158-R453 VanDerWaalsContact CD-CG 3.45Å
159	F	67.4	Low	61.4	Low	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-69.6	-33.8	174.3	75.6	-94.3	0	0	0	112	V129 V155 D156 I161 I162 F163 V242 L304 G456	V129-F159 HydrophobicContact CG2-CD2 4.49Å; V129-F159 HydrophobicContact CG2-CE2 3.69Å; V155-F159 HydrophobicContact CG1-CE1 3.63Å; V155-F159 HydrophobicContact CG1-CZ 4.1Å; D156-F159 HydrophobicContact CB-CD1 4.47Å; D156-F159 WeakPolarHBondContact O-CD1 3.46Å; D156-F159 WeakPolarHBondContact O-CE1 3.36Å; F159-I161 VanDerWaalsContact C-N 3.26Å; F159-I161 PolarHBondContact O-N 2.57Å; F159-I162 PolarHBondContact O-N 3.08Å; F159-I162 VanDerWaalsContact O-N 3.12Å; F159-F163 WeakPolarHBondContact O-CB 3.23Å; F159-F163 PolarHBondContact O-N 2.81Å; F159-V242 HydrophobicContact CD1-CG1 4.08Å; F159-V242 HydrophobicContact CD1-CG2 4.26Å; F159-V242 HydrophobicContact CD2-CG2 3.8Å; F159-V242 HydrophobicContact CE1-CB 3.83Å; F159-V242 HydrophobicContact CE1-CG1 3.56Å; F159-V242 HydrophobicContact CE1-CG2 3.78Å; F159-V242 HydrophobicContact CE2-CB 4.12Å; F159-V242 HydrophobicContact CE2-CG2 3.27Å; F159-V242 HydrophobicContact CG-CG2 4.29Å; F159-V242 HydrophobicContact CZ-CB 3.55Å; F159-V242 HydrophobicContact CZ-CG1 3.86Å; F159-V242 HydrophobicContact CZ-CG2 3.24Å; F159-L304 HydrophobicContact CB-CD1 4.15Å; F159-L304 HydrophobicContact CD2-CD1 4.16Å; F159-L304 HydrophobicContact CG-CD1 4.1Å; F159-G456 WeakPolarHBondContact CA-O 3.2Å; F159-G456 VanDerWaalsContact CB-O 3.32Å; F159-G456 WeakPolarHBondContact CB-O 3.5Å
160	Y	70.1	Confident	64.2	Low	0 Å²	0	24.7 Å²	24.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.4	-40.4	178.7	-64.7	-76.4	0	0	0	111.6	V129 T131 L157 I162 C164 F176 T208 I210	V129-Y160 HydrophobicContact CG1-CD1 3.82Å; V129-Y160 HydrophobicContact CG1-CE1 4.04Å; V129-Y160 HydrophobicContact CG2-CD1 4.16Å; V129-Y160 HydrophobicContact CG2-CE1 3.98Å; T131-Y160 WeakPolarHBondContact CB-OH 3.42Å; T131-Y160 WeakPolarHBondContact CG2-OH 3.18Å; T131-Y160 PolarHBondContact OG1-OH 3.35Å; L157-Y160 HydrophobicContact CD2-CD2 4.26Å; L157-Y160 PolarHBondContact O-N 2.86Å; Y160-I162 PolarHBondContact O-N 3.36Å; Y160-C164 WeakPolarHBondContact O-CB 3.38Å; Y160-C164 PolarHBondContact O-N 3.02Å; Y160-C164 PolarHBondContact O-SG 3.42Å; Y160-F176 HydrophobicContact CD1-CD1 4.19Å; Y160-F176 AromaticContact CD1-CE1 3.82Å; Y160-F176 HydrophobicContact CD1-CE1 3.82Å; Y160-F176 HydrophobicContact CG-CE1 4.37Å; Y160-T208 PolarHBondContact OH-OG1 2.86Å; Y160-I210 HydrophobicContact CD1-CD1 4.48Å; Y160-I210 HydrophobicContact CE1-CD1 3.41Å; Y160-I210 VanDerWaalsContact CE1-CD1 3.41Å; Y160-I210 HydrophobicContact CE1-CG1 4.1Å; Y160-I210 WeakPolarHBondContact OH-CD1 3.36Å; Y160-I210 WeakPolarHBondContact OH-CG1 3.48Å
161	I	69.1	Low	67	Low	10 Å²	10	16 Å²	16	5%	0.051	8%	0.078	C	C	.	.	H	α-helix	trans	-53.5	-46.6	178.4	-51.9	175	0	0	0	110.1	F159 R165 V199 I202 I203	F159-I161 VanDerWaalsContact C-N 3.26Å; F159-I161 PolarHBondContact O-N 2.57Å; I161-R165 VanDerWaalsContact O-CB 3.24Å; I161-R165 WeakPolarHBondContact O-CB 3.43Å; I161-R165 WeakPolarHBondContact O-CG 3.37Å; I161-R165 PolarHBondContact O-N 3.12Å; I161-V199 HydrophobicContact CB-CB 4.27Å; I161-V199 HydrophobicContact CB-CG2 4.49Å; I161-V199 HydrophobicContact CG1-CB 4.18Å; I161-V199 HydrophobicContact CG2-CB 4.34Å; I161-V199 HydrophobicContact CG2-CG2 4.14Å; I161-I202 HydrophobicContact CD1-CD1 4.4Å; I161-I202 HydrophobicContact CD1-CG1 3.63Å; I161-I202 HydrophobicContact CG1-CD1 3.72Å; I161-I202 HydrophobicContact CG1-CG1 3.51Å; I161-I203 HydrophobicContact CD1-CB 3.42Å; I161-I203 VanDerWaalsContact CD1-CB 3.42Å; I161-I203 HydrophobicContact CD1-CD1 4.3Å; I161-I203 HydrophobicContact CD1-CG1 3.77Å
162	I	76	Confident	69.9	Low	2 Å²	2	9.6 Å²	9.6	1%	0.01	5%	0.054	C	C	.	.	H	α-helix	trans	-93.2	-31.9	-166	-67.1	170.8	0	0	0	111	F159 Y160 M166 S457 A461 L734 L897 L901	F159-I162 PolarHBondContact O-N 3.08Å; F159-I162 VanDerWaalsContact O-N 3.12Å; Y160-I162 PolarHBondContact O-N 3.36Å; I162-M166 WeakPolarHBondContact O-CB 3.26Å; I162-M166 PolarHBondContact O-N 2.64Å; I162-S457 WeakPolarHBondContact CD1-OG 3.45Å; I162-S457 VanDerWaalsContact CG2-O 3.23Å; I162-S457 WeakPolarHBondContact CG2-O 3.41Å; I162-A461 HydrophobicContact CG2-CB 3.79Å; I162-L734 HydrophobicContact CD1-CD1 4.46Å; I162-L897 HydrophobicContact CG2-CD1 4.12Å; I162-L901 HydrophobicContact CB-CD2 4.14Å; I162-L901 HydrophobicContact CD1-CD1 3.45Å; I162-L901 VanDerWaalsContact CD1-CD1 3.45Å; I162-L901 HydrophobicContact CD1-CD2 4.43Å; I162-L901 HydrophobicContact CG1-CD1 3.57Å; I162-L901 HydrophobicContact CG1-CD2 3.6Å; I162-L901 HydrophobicContact CG1-CG 4.2Å; I162-L901 HydrophobicContact CG2-CD1 4.46Å; I162-L901 HydrophobicContact CG2-CD2 4.04Å
163	F	82.6	Confident	72.7	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-55.9	-50.1	162.6	178.9	-99.5	0	0	0	111.5	L127 V129 F159 G167 V174 V240 V464 L467	L127-F163 HydrophobicContact CB-CE1 4.3Å; L127-F163 HydrophobicContact CB-CZ 3.81Å; L127-F163 HydrophobicContact CD1-CE2 4.46Å; L127-F163 HydrophobicContact CD1-CZ 4.3Å; L127-F163 HydrophobicContact CD2-CZ 4.47Å; L127-F163 HydrophobicContact CG-CZ 4.42Å; V129-F163 HydrophobicContact CB-CD1 3.82Å; V129-F163 HydrophobicContact CB-CE1 3.43Å; V129-F163 VanDerWaalsContact CB-CE1 3.43Å; V129-F163 HydrophobicContact CB-CZ 3.96Å; V129-F163 HydrophobicContact CG1-CD1 3.66Å; V129-F163 HydrophobicContact CG1-CE1 3.52Å; V129-F163 HydrophobicContact CG2-CD1 4.31Å; V129-F163 HydrophobicContact CG2-CE1 4.3Å; F159-F163 WeakPolarHBondContact O-CB 3.23Å; F159-F163 PolarHBondContact O-N 2.81Å; F163-G167 PolarHBondContact O-N 3.3Å; F163-V174 HydrophobicContact CD1-CG1 3.88Å; F163-V174 HydrophobicContact CE1-CG1 3.53Å; F163-V240 HydrophobicContact CD2-CB 4.37Å; F163-V240 HydrophobicContact CD2-CG2 3.77Å; F163-V240 HydrophobicContact CE2-CB 3.94Å; F163-V240 HydrophobicContact CE2-CG2 3.23Å; F163-V240 HydrophobicContact CZ-CB 4.28Å; F163-V240 HydrophobicContact CZ-CG2 3.94Å; F163-V464 HydrophobicContact CB-CG2 4.44Å; F163-V464 HydrophobicContact CD2-CG2 3.32Å; F163-V464 HydrophobicContact CE2-CG2 3.74Å; F163-V464 HydrophobicContact CG-CG2 4.11Å; F163-L467 HydrophobicContact CE2-CD1 4.42Å
164	C	85.6	Confident	75.5	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-66.5	-49.2	177.5	-69.5	0	0	0	0	112.2	Y160 G167 L168 V174 F176 V199	Y160-C164 WeakPolarHBondContact O-CB 3.38Å; Y160-C164 PolarHBondContact O-N 3.02Å; Y160-C164 PolarHBondContact O-SG 3.42Å; C164-G167 PolarHBondContact O-N 3.21Å; C164-L168 VanDerWaalsContact O-CB 3.31Å; C164-L168 WeakPolarHBondContact O-CB 3.48Å; C164-L168 WeakPolarHBondContact O-CG 3.33Å; C164-L168 PolarHBondContact O-N 3.44Å; C164-V174 HydrophobicContact CB-CG1 4.43Å; C164-F176 WeakPolarHBondContact SG-CE1 3.27Å; C164-F176 WeakPolarHBondContact SG-CZ 3.41Å; C164-V199 HydrophobicContact CB-CG1 3.96Å; C164-V199 HydrophobicContact CB-CG2 4.26Å
165	R	86.3	Confident	78.2	Confident	32 Å²	32	13.4 Å²	13.4	12%	0.121	7%	0.068	C	C	.	.	H	α-helix	trans	-65.2	-40.5	-178.5	-73.2	-177	179.2	-171.7	3.4	112.4	I161 Y169 W196 V199 S200 L901	I161-R165 VanDerWaalsContact O-CB 3.24Å; I161-R165 WeakPolarHBondContact O-CB 3.43Å; I161-R165 WeakPolarHBondContact O-CG 3.37Å; I161-R165 PolarHBondContact O-N 3.12Å; R165-Y169 WeakPolarHBondContact O-CB 3.31Å; R165-Y169 PolarHBondContact O-N 3.08Å; R165-W196 HydrophobicContact CB-CE3 4.28Å; R165-W196 HydrophobicContact CB-CH2 3.61Å; R165-W196 HydrophobicContact CB-CZ2 4.13Å; R165-W196 HydrophobicContact CB-CZ3 3.7Å; R165-W196 VanDerWaalsContact CD-CZ2 3.44Å; R165-W196 HydrophobicContact CG-CD2 3.87Å; R165-W196 HydrophobicContact CG-CE3 3.84Å; R165-W196 HydrophobicContact CG-CH2 3.59Å; R165-W196 HydrophobicContact CG-CZ2 3.62Å; R165-W196 HydrophobicContact CG-CZ3 3.7Å; R165-V199 HydrophobicContact CG-CG2 4.28Å; R165-S200 PolarHBondContact NH2-OG 3.09Å; R165-L901 HydrophobicContact CB-CD2 3.58Å; R165-L901 HydrophobicContact CG-CD2 4.38Å; R165-L901 PolarHBondContact NH1-O 3.37Å
166	M	87.3	Confident	80.4	Confident	7 Å²	7	13.8 Å²	13.8	3%	0.034	7%	0.07	C	C	.	.	H	α-helix	trans	-67.1	-45.6	174	-174.4	64.4	80.3	0	0	111.4	I162 L168 Y169 L170 A461 V464 L897 I900	I162-M166 WeakPolarHBondContact O-CB 3.26Å; I162-M166 PolarHBondContact O-N 2.64Å; M166-L168 PolarHBondContact O-N 3.43Å; M166-Y169 PolarHBondContact O-N 3.28Å; M166-Y169 HydrophobicContact SD-CD1 4.3Å; M166-L170 HydrophobicContact CG-CD1 4.31Å; M166-L170 WeakPolarHBondContact O-CB 3.41Å; M166-L170 VanDerWaalsContact O-CG 3.31Å; M166-L170 WeakPolarHBondContact O-CG 3.34Å; M166-L170 PolarHBondContact O-N 3.22Å; M166-A461 HydrophobicContact CE-CB 3.9Å; M166-V464 HydrophobicContact CB-CB 4.37Å; M166-V464 HydrophobicContact CB-CG2 4.16Å; M166-V464 HydrophobicContact CG-CB 3.92Å; M166-V464 HydrophobicContact CG-CG1 3.95Å; M166-V464 HydrophobicContact CG-CG2 4.27Å; M166-L897 HydrophobicContact CE-CD1 3.78Å; M166-I900 HydrophobicContact CE-CD1 3.94Å; M166-I900 HydrophobicContact CE-CG2 4.31Å; M166-I900 HydrophobicContact SD-CD1 4.18Å; M166-I900 HydrophobicContact SD-CG2 4.19Å
167	G	89	Confident	82.3	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-58.4	-47.3	176.4	0	0	0	0	0	112.7	F163 C164 L170 G171 C172	F163-G167 PolarHBondContact O-N 3.3Å; C164-G167 PolarHBondContact O-N 3.21Å; G167-L170 PolarHBondContact O-N 3.34Å; G167-G171 PolarHBondContact O-N 3.34Å; G167-C172 WeakPolarHBondContact O-CB 3.4Å; G167-C172 PolarHBondContact O-N 3.01Å
168	L	88.6	Confident	84	Confident	52 Å²	52	15.5 Å²	15.5	27%	0.272	8%	0.077	S	C	.	.	H	α-helix	trans	-65.3	-40.5	176.3	-68.2	169.8	0	0	0	112.1	C164 M166 L170 G171 V174 W196	C164-L168 VanDerWaalsContact O-CB 3.31Å; C164-L168 WeakPolarHBondContact O-CB 3.48Å; C164-L168 WeakPolarHBondContact O-CG 3.33Å; C164-L168 PolarHBondContact O-N 3.44Å; M166-L168 PolarHBondContact O-N 3.43Å; L168-L170 VanDerWaalsContact C-N 3.29Å; L168-L170 PolarHBondContact O-N 3.13Å; L168-G171 WeakPolarHBondContact O-CA 3.41Å; L168-G171 PolarHBondContact O-N 2.89Å; L168-V174 HydrophobicContact CD2-CG2 4.42Å; L168-V174 HydrophobicContact CG-CG2 4.22Å; L168-W196 HydrophobicContact CB-CE3 4.28Å; L168-W196 HydrophobicContact CB-CZ3 4.45Å; L168-W196 HydrophobicContact CD1-CB 4.41Å; L168-W196 HydrophobicContact CD1-CE3 4.12Å
169	Y	86.5	Confident	85.2	Confident	22 Å²	22	19.2 Å²	19.2	9%	0.086	10%	0.095	C	C	.	.	H	α-helix	trans	-60.6	-37.6	175.4	175.2	-99.7	0	0	0	112.5	V117 P119 R120 R165 M166 G171 I900 K903	V117-Y169 HydrophobicContact CB-CE1 4.49Å; V117-Y169 HydrophobicContact CG1-CE1 4.4Å; V117-Y169 WeakPolarHBondContact O-CE1 3.27Å; V117-Y169 PolarHBondContact O-OH 2.95Å; P119-Y169 WeakPolarHBondContact CA-O 3.28Å; P119-Y169 HydrophobicContact CB-CD2 4.34Å; P119-Y169 HydrophobicContact CB-CE1 4.36Å; P119-Y169 HydrophobicContact CB-CE2 3.76Å; R120-Y169 PolarHBondContact N-O 3.29Å; R165-Y169 WeakPolarHBondContact O-CB 3.31Å; R165-Y169 PolarHBondContact O-N 3.08Å; M166-Y169 PolarHBondContact O-N 3.28Å; M166-Y169 HydrophobicContact SD-CD1 4.3Å; Y169-G171 PolarHBondContact O-N 2.94Å; Y169-I900 HydrophobicContact CD1-CD1 4.09Å; Y169-I900 HydrophobicContact CD1-CG1 4.05Å; Y169-I900 HydrophobicContact CD1-CG2 3.93Å; Y169-I900 HydrophobicContact CD2-CG1 4.35Å; Y169-I900 HydrophobicContact CD2-CG2 4.15Å; Y169-I900 HydrophobicContact CE1-CD1 3.76Å; Y169-I900 HydrophobicContact CE1-CG1 3.77Å; Y169-I900 HydrophobicContact CE2-CG1 4.09Å; Y169-I900 HydrophobicContact CG-CG1 4.33Å; Y169-I900 HydrophobicContact CG-CG2 3.73Å; Y169-K903 HydrophobicContact CD2-CD 4.19Å; Y169-K903 HydrophobicContact CE2-CD 3.66Å
170	L	87.7	Confident	86.1	Confident	3 Å²	3	19.2 Å²	19.2	2%	0.016	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-8	173.2	-70.4	178.9	0	0	0	114	V117 R120 C121 M122 M166 G167 L168 V464 M468	V117-L170 HydrophobicContact CG1-CD2 3.36Å; V117-L170 HydrophobicContact CG1-CG 4.49Å; R120-L170 CarbonylContact C-O 3.52Å; R120-L170 VanDerWaalsContact C-O 3.3Å; R120-L170 VanDerWaalsContact CA-O 3.24Å; R120-L170 WeakPolarHBondContact CA-O 3.33Å; C121-L170 PolarHBondContact N-O 3.12Å; C121-L170 VanDerWaalsContact SG-CD2 3.58Å; M122-L170 CarbonylContact C-O 3.59Å; M122-L170 WeakPolarHBondContact CA-O 3.46Å; M122-L170 HydrophobicContact CB-CB 4.38Å; M122-L170 PolarHBondContact N-O 3.4Å; M166-L170 HydrophobicContact CG-CD1 4.31Å; M166-L170 WeakPolarHBondContact O-CB 3.41Å; M166-L170 VanDerWaalsContact O-CG 3.31Å; M166-L170 WeakPolarHBondContact O-CG 3.34Å; M166-L170 PolarHBondContact O-N 3.22Å; G167-L170 PolarHBondContact O-N 3.34Å; L168-L170 VanDerWaalsContact C-N 3.29Å; L168-L170 PolarHBondContact O-N 3.13Å; L170-V464 HydrophobicContact CD1-CG1 3.52Å; L170-M468 HydrophobicContact CD1-CG 3.97Å
171	G	87.5	Confident	86.8	Confident	22 Å²	22	20 Å²	20	23%	0.227	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	8.4	-177.1	0	0	0	0	0	114.7	V123 G167 L168 Y169	V123-G171 WeakPolarHBondContact CA-O 3.43Å; G167-G171 PolarHBondContact O-N 3.34Å; L168-G171 WeakPolarHBondContact O-CA 3.41Å; L168-G171 PolarHBondContact O-N 2.89Å; Y169-G171 PolarHBondContact O-N 2.94Å
172	C	90.3	Very high	87.7	Confident	3 Å²	3	21.1 Å²	21.1	2%	0.02	10%	0.103	C	C	.	.			trans	-75.4	148.2	176.1	-54.5	0	0	0	0	111.5	M122 R125 L127 G167	M122-C172 PolarHBondContact O-SG 2.79Å; R125-C172 CarbonylContact O-C 3.59Å; R125-C172 VanDerWaalsContact O-CA 3.23Å; R125-C172 WeakPolarHBondContact O-CA 3.48Å; R125-C172 WeakPolarHBondContact O-CB 3.27Å; L127-C172 HydrophobicContact CD1-CB 3.75Å; L127-C172 HydrophobicContact CG-CB 4.01Å; G167-C172 WeakPolarHBondContact O-CB 3.4Å; G167-C172 PolarHBondContact O-N 3.01Å
173	Q	92.2	Very high	88.3	Confident	94 Å²	94	21 Å²	21	44%	0.439	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	132.6	164.7	-65.2	-173.8	-3.1	0	0	109	R125 C126 L127 Y175 L193	R125-Q173 PolarHBondContact O-N 2.92Å; C126-Q173 CarbonylContact C-O 3.58Å; C126-Q173 WeakPolarHBondContact CA-O 3.48Å; L127-Q173 PolarHBondContact N-O 2.87Å; Q173-Y175 HydrophobicContact CB-CE2 3.92Å; Q173-Y175 PolarHBondContact OE1-OH 2.84Å; Q173-L193 HydrophobicContact CB-CD1 4.26Å
174	V	92.7	Very high	88.7	Confident	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.9	-176.4	-171.4	0	0	0	0	110.1	L127 F163 C164 L168 A194	L127-V174 HydrophobicContact CB-CG1 4.49Å; L127-V174 HydrophobicContact CB-CG2 4.38Å; L127-V174 HydrophobicContact CD1-CG2 4.24Å; L127-V174 CarbonylContact O-C 3.56Å; L127-V174 WeakPolarHBondContact O-CA 3.46Å; F163-V174 HydrophobicContact CD1-CG1 3.88Å; F163-V174 HydrophobicContact CE1-CG1 3.53Å; C164-V174 HydrophobicContact CB-CG1 4.43Å; L168-V174 HydrophobicContact CD2-CG2 4.42Å; L168-V174 HydrophobicContact CG-CG2 4.22Å; V174-A194 HydrophobicContact CB-CB 4.32Å; V174-A194 HydrophobicContact CG1-CB 4.33Å; V174-A194 WeakPolarHBondContact O-CB 3.37Å; V174-A194 PolarHBondContact O-N 3.01Å
175	Y	93.7	Very high	88.9	Confident	23 Å²	23	21.1 Å²	21.1	9%	0.09	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.9	-178.4	-68.4	-91.7	0	0	0	111.5	C126 L127 G128 V129 Q173 I191 T192 L193 Y234 I236	C126-Y175 HydrophobicContact CB-CE2 4.32Å; L127-Y175 PolarHBondContact O-N 2.7Å; G128-Y175 WeakPolarHBondContact CA-O 3.47Å; V129-Y175 PolarHBondContact N-O 2.81Å; Q173-Y175 HydrophobicContact CB-CE2 3.92Å; Q173-Y175 PolarHBondContact OE1-OH 2.84Å; Y175-I191 HydrophobicContact CD1-CG2 4.01Å; Y175-I191 HydrophobicContact CG-CG2 4.41Å; Y175-T192 WeakPolarHBondContact CA-O 3.32Å; Y175-L193 HydrophobicContact CD1-CB 4.25Å; Y175-L193 HydrophobicContact CD1-CD1 4.24Å; Y175-L193 HydrophobicContact CD2-CD1 4.43Å; Y175-L193 HydrophobicContact CE1-CB 4Å; Y175-L193 HydrophobicContact CE1-CD1 3.81Å; Y175-L193 HydrophobicContact CE2-CD1 4.02Å; Y175-Y234 HydrophobicContact CD1-CD1 4.31Å; Y175-Y234 AromaticContact CE1-CD1 3.66Å; Y175-Y234 HydrophobicContact CE1-CD1 3.66Å; Y175-Y234 HydrophobicContact CE1-CE1 4.45Å; Y175-Y234 HydrophobicContact CE1-CG 4.14Å; Y175-I236 HydrophobicContact CD1-CD1 4.38Å; Y175-I236 HydrophobicContact CD2-CD1 3.88Å; Y175-I236 HydrophobicContact CD2-CG1 3.79Å; Y175-I236 HydrophobicContact CE2-CG1 4.33Å; Y175-I236 HydrophobicContact CG-CD1 3.72Å; Y175-I236 HydrophobicContact CG-CG1 4.18Å
176	F	91.6	Very high	89.3	Confident	9 Å²	9	23 Å²	23	4%	0.039	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.1	165.9	-68.1	-38.2	0	0	0	110.3	V129 Y160 C164 I191 T192 A194 V199 I209 I210	V129-F176 HydrophobicContact CG1-CD1 3.68Å; V129-F176 HydrophobicContact CG1-CE1 4.04Å; Y160-F176 HydrophobicContact CD1-CD1 4.19Å; Y160-F176 AromaticContact CD1-CE1 3.82Å; Y160-F176 HydrophobicContact CD1-CE1 3.82Å; Y160-F176 HydrophobicContact CG-CE1 4.37Å; C164-F176 WeakPolarHBondContact SG-CE1 3.27Å; C164-F176 WeakPolarHBondContact SG-CZ 3.41Å; F176-I191 CarbonylContact O-C 3.54Å; F176-I191 WeakPolarHBondContact O-CA 3.5Å; F176-T192 PolarHBondContact N-O 2.93Å; F176-T192 PolarHBondContact O-N 2.89Å; F176-A194 HydrophobicContact CD1-CB 4.45Å; F176-A194 HydrophobicContact CD2-CB 3.9Å; F176-A194 HydrophobicContact CE1-CB 4.15Å; F176-A194 HydrophobicContact CE2-CB 3.57Å; F176-A194 HydrophobicContact CG-CB 4.32Å; F176-A194 HydrophobicContact CZ-CB 3.7Å; F176-V199 HydrophobicContact CE2-CG1 4.47Å; F176-V199 HydrophobicContact CZ-CG1 3.65Å; F176-I209 HydrophobicContact CE2-CD1 4.45Å; F176-I209 HydrophobicContact CZ-CD1 4.42Å; F176-I210 HydrophobicContact CB-CG2 3.87Å; F176-I210 HydrophobicContact CD1-CG2 4.11Å; F176-I210 HydrophobicContact CD2-CG2 4.25Å; F176-I210 HydrophobicContact CG-CG2 3.83Å
177	I	90.5	Very high	89.4	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	102.6	173.4	-55.2	170	0	0	0	107.3	V129 F130 M184 N190 I191 I210 L231 L239	V129-I177 PolarHBondContact O-N 2.68Å; F130-I177 HydrophobicContact CB-CB 3.83Å; F130-I177 HydrophobicContact CB-CD1 4.4Å; F130-I177 HydrophobicContact CB-CG2 4.21Å; I177-M184 HydrophobicContact CD1-CE 4.03Å; I177-M184 HydrophobicContact CG2-CB 3.81Å; I177-M184 HydrophobicContact CG2-CG 4.36Å; I177-N190 CarbonylContact C-O 3.56Å; I177-N190 WeakPolarHBondContact CA-O 3.31Å; I177-I191 HydrophobicContact CG1-CG1 4.35Å; I177-I191 HydrophobicContact CG2-CG1 4.47Å; I177-I210 WeakPolarHBondContact O-CD1 3.36Å; I177-L231 HydrophobicContact CD1-CD2 3.76Å; I177-L239 HydrophobicContact CD1-CD2 3.92Å
178	H	89.4	Confident	89.5	Confident	44 Å²	44	24.8 Å²	24.8	20%	0.204	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	158	-177	-62.3	-95.6	0	0	0	111.7	G180 G183 N190 T192 I210	H178-G180 PolarHBondContact O-N 2.87Å; H178-G183 WeakPolarHBondContact O-CA 3.41Å; H178-G183 PolarHBondContact O-N 2.83Å; H178-N190 HydrophobicContact CB-CB 4.44Å; H178-N190 PolarHBondContact CD2-O 2.78Å; H178-N190 PolarHBondContact N-O 2.96Å; H178-T192 PolarHBondContact NE2-OG1 3.3Å; H178-I210 CarbonylContact C-O 3.59Å; H178-I210 WeakPolarHBondContact CA-O 3.48Å; H178-I210 WeakPolarHBondContact CB-O 3.48Å; H178-I210 WeakPolarHBondContact ND1-CA 3.4Å
179	E	85.8	Confident	89.6	Confident	81 Å²	81	29.6 Å²	29.6	38%	0.379	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	25.4	177.9	-58.3	-54.9	139.8	0	0	114.3	Q182 I210 A213	E179-Q182 PolarHBondContact O-N 3.48Å; E179-I210 PolarHBondContact N-O 3.22Å; E179-A213 HydrophobicContact CB-CB 3.88Å; E179-A213 WeakPolarHBondContact O-CB 3.4Å; E179-A213 PolarHBondContact O-N 2.94Å; E179-A213 VanDerWaalsContact O-N 3.11Å
180	G	84.5	Confident	89.9	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-133.4	176.9	0	0	0	0	0	114.5	T131 H178 Q182 G183 M184	T131-G180 WeakPolarHBondContact O-CA 3.43Å; T131-G180 PolarHBondContact O-N 3.36Å; H178-G180 PolarHBondContact O-N 2.87Å; G180-Q182 PolarHBondContact O-N 2.87Å; G180-G183 PolarHBondContact O-N 2.99Å; G180-M184 PolarHBondContact O-N 2.94Å; G180-M184 VanDerWaalsContact O-N 3.11Å
181	Y	85	Confident	90.1	Very high	17 Å²	17	31 Å²	31	7%	0.067	17%	0.17	C	C	.	.	H	α-helix	trans	-59.3	-28.7	177	-73	-59.8	0	0	0	113	F130 S132 M184 V185 F218 L264 A268	F130-Y181 HydrophobicContact CE2-CD1 4.04Å; F130-Y181 HydrophobicContact CE2-CD2 4.32Å; F130-Y181 AromaticContact CE2-CE1 3.58Å; F130-Y181 HydrophobicContact CE2-CE1 3.58Å; F130-Y181 AromaticContact CE2-CE2 3.9Å; F130-Y181 HydrophobicContact CE2-CE2 3.9Å; F130-Y181 HydrophobicContact CE2-CG 4.38Å; F130-Y181 AromaticContact CE2-CZ 3.5Å; F130-Y181 VanDerWaalsContact CE2-CZ 3.5Å; F130-Y181 HydrophobicContact CZ-CD1 4.39Å; F130-Y181 AromaticContact CZ-CE1 3.61Å; F130-Y181 HydrophobicContact CZ-CE1 3.61Å; F130-Y181 HydrophobicContact CZ-CE2 4.49Å; F130-Y181 AromaticContact CZ-CZ 3.66Å; S132-Y181 VanDerWaalsContact OG-CD2 3.28Å; S132-Y181 WeakPolarHBondContact OG-CD2 3.18Å; Y181-M184 HydrophobicContact CD1-CE 4.18Å; Y181-M184 HydrophobicContact CD1-SD 4.32Å; Y181-M184 HydrophobicContact CE1-CE 4.33Å; Y181-M184 WeakPolarHBondContact O-CB 3.19Å; Y181-M184 PolarHBondContact O-N 3.05Å; Y181-V185 VanDerWaalsContact O-CG2 3.3Å; Y181-V185 WeakPolarHBondContact O-CG2 3.21Å; Y181-V185 PolarHBondContact O-N 3.39Å; Y181-F218 AromaticContact CD1-CD1 3.55Å; Y181-F218 HydrophobicContact CD1-CD1 3.55Å; Y181-F218 AromaticContact CD1-CD2 3.88Å; Y181-F218 HydrophobicContact CD1-CD2 3.88Å; Y181-F218 AromaticContact CD1-CE1 3.5Å; Y181-F218 HydrophobicContact CD1-CE1 3.5Å; Y181-F218 VanDerWaalsContact CD1-CE1 3.5Å; Y181-F218 AromaticContact CD1-CE2 3.8Å; Y181-F218 HydrophobicContact CD1-CE2 3.8Å; Y181-F218 AromaticContact CD1-CG 3.76Å; Y181-F218 HydrophobicContact CD1-CG 3.76Å; Y181-F218 AromaticContact CD1-CZ 3.62Å; Y181-F218 HydrophobicContact CD1-CZ 3.62Å; Y181-F218 HydrophobicContact CD2-CD1 4.4Å; Y181-F218 AromaticContact CE1-CD1 3.88Å; Y181-F218 HydrophobicContact CE1-CD1 3.88Å; Y181-F218 AromaticContact CE1-CE1 3.38Å; Y181-F218 HydrophobicContact CE1-CE1 3.38Å; Y181-F218 HydrophobicContact CE1-CE2 4.21Å; Y181-F218 HydrophobicContact CE1-CG 4.49Å; Y181-F218 AromaticContact CE1-CZ 3.57Å; Y181-F218 HydrophobicContact CE1-CZ 3.57Å; Y181-F218 HydrophobicContact CG-CB 4.41Å; Y181-F218 AromaticContact CG-CD1 3.86Å; Y181-F218 HydrophobicContact CG-CD1 3.86Å; Y181-F218 HydrophobicContact CG-CD2 4.45Å; Y181-F218 HydrophobicContact CG-CE1 4.23Å; Y181-F218 AromaticContact CG-CG 3.98Å; Y181-F218 HydrophobicContact CG-CG 3.98Å; Y181-L264 HydrophobicContact CE2-CD1 4.4Å; Y181-L264 HydrophobicContact CE2-CG 4.13Å; Y181-L264 PolarHBondContact OH-O 2.8Å; Y181-A268 PolarHBondContact OH-N 2.9Å
182	Q	87.8	Confident	90.4	Very high	33 Å²	33	32.3 Å²	32.3	15%	0.154	17%	0.174	C	C	.	.	H	α-helix	trans	-70	-46.8	-179.1	-169.1	58.8	42	0	0	110.6	E179 G180 M184 V185 D186 A213 S215 D217	E179-Q182 PolarHBondContact O-N 3.48Å; G180-Q182 PolarHBondContact O-N 2.87Å; Q182-M184 VanDerWaalsContact C-N 3.26Å; Q182-M184 PolarHBondContact O-N 3.13Å; Q182-V185 CarbonylContact O-C 3.56Å; Q182-V185 PolarHBondContact O-N 2.8Å; Q182-V185 VanDerWaalsContact O-N 3.09Å; Q182-D186 WeakPolarHBondContact CG-OD2 3.49Å; Q182-D186 PolarHBondContact NE2-OD1 2.9Å; Q182-D186 PolarHBondContact NE2-OD2 3.38Å; Q182-D186 WeakPolarHBondContact O-CB 3.35Å; Q182-D186 VanDerWaalsContact O-CG 3.3Å; Q182-D186 PolarHBondContact O-N 2.79Å; Q182-A213 HydrophobicContact CB-CB 3.86Å; Q182-S215 VanDerWaalsContact OE1-CA 3.29Å; Q182-S215 VanDerWaalsContact OE1-CB 3.25Å; Q182-S215 PolarHBondContact OE1-OG 3.27Å; Q182-D217 PolarHBondContact NE2-OD2 3.41Å
183	G	88.8	Confident	90.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.7	-23.8	175.5	0	0	0	0	0	113.9	H178 G180 G187 N190	H178-G183 WeakPolarHBondContact O-CA 3.41Å; H178-G183 PolarHBondContact O-N 2.83Å; G180-G183 PolarHBondContact O-N 2.99Å; G183-G187 PolarHBondContact O-N 2.78Å; G183-N190 WeakPolarHBondContact O-CB 3.41Å
184	M	90.9	Very high	90.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.3	-44.6	167.4	-160.7	-172.4	-71.8	0	0	111.8	F130 I177 G180 Y181 Q182 F218 A227 N230 L231 L239 F271	F130-M184 HydrophobicContact CD1-CE 3.73Å; F130-M184 HydrophobicContact CD2-CE 4.41Å; F130-M184 HydrophobicContact CE1-CE 3.75Å; F130-M184 HydrophobicContact CE2-CE 4.42Å; F130-M184 HydrophobicContact CG-CE 4.07Å; F130-M184 HydrophobicContact CZ-CE 4.1Å; I177-M184 HydrophobicContact CD1-CE 4.03Å; I177-M184 HydrophobicContact CG2-CB 3.81Å; I177-M184 HydrophobicContact CG2-CG 4.36Å; G180-M184 PolarHBondContact O-N 2.94Å; G180-M184 VanDerWaalsContact O-N 3.11Å; Y181-M184 HydrophobicContact CD1-CE 4.18Å; Y181-M184 HydrophobicContact CD1-SD 4.32Å; Y181-M184 HydrophobicContact CE1-CE 4.33Å; Y181-M184 WeakPolarHBondContact O-CB 3.19Å; Y181-M184 PolarHBondContact O-N 3.05Å; Q182-M184 VanDerWaalsContact C-N 3.26Å; Q182-M184 PolarHBondContact O-N 3.13Å; M184-F218 HydrophobicContact SD-CE2 3.99Å; M184-A227 HydrophobicContact CG-CB 3.92Å; M184-A227 HydrophobicContact SD-CB 4.08Å; M184-N230 PolarHBondContact O-ND2 3.01Å; M184-L231 HydrophobicContact CG-CD1 4.33Å; M184-L231 HydrophobicContact CG-CD2 4.17Å; M184-L231 HydrophobicContact CG-CG 4.2Å; M184-L231 HydrophobicContact SD-CD1 3.95Å; M184-L231 HydrophobicContact SD-CG 4.46Å; M184-L239 HydrophobicContact CE-CD1 4.07Å; M184-F271 HydrophobicContact SD-CE1 4.43Å
185	V	91.6	Very high	90	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-69.3	-37.9	175.5	175.2	0	0	0	0	111.5	Y181 Q182 D217 F218 K226 A227 N230	Y181-V185 VanDerWaalsContact O-CG2 3.3Å; Y181-V185 WeakPolarHBondContact O-CG2 3.21Å; Y181-V185 PolarHBondContact O-N 3.39Å; Q182-V185 CarbonylContact O-C 3.56Å; Q182-V185 PolarHBondContact O-N 2.8Å; Q182-V185 VanDerWaalsContact O-N 3.09Å; V185-D217 HydrophobicContact CG1-CB 3.89Å; V185-D217 HydrophobicContact CG2-CB 4.46Å; V185-F218 HydrophobicContact CG2-CB 3.93Å; V185-F218 HydrophobicContact CG2-CD2 3.8Å; V185-F218 HydrophobicContact CG2-CG 4.38Å; V185-K226 HydrophobicContact CG1-CD 3.9Å; V185-K226 WeakPolarHBondContact O-CD 3.42Å; V185-K226 WeakPolarHBondContact O-CE 3.4Å; V185-K226 WeakPolarHBondContact O-CG 3.34Å; V185-K226 PolarHBondContact O-NZ 3.44Å; V185-A227 HydrophobicContact CG2-CB 4.19Å; V185-N230 PolarHBondContact O-ND2 3.18Å
186	D	92.9	Very high	89.4	Confident	71 Å²	71	37 Å²	37	38%	0.38	20%	0.201	S	C	.	.	H	α-helix	trans	-76.4	-40.1	-177.7	-68.6	-23.9	0	0	0	112.6	Q182 N190 K226	Q182-D186 WeakPolarHBondContact CG-OD2 3.49Å; Q182-D186 PolarHBondContact NE2-OD1 2.9Å; Q182-D186 PolarHBondContact NE2-OD2 3.38Å; Q182-D186 WeakPolarHBondContact O-CB 3.35Å; Q182-D186 VanDerWaalsContact O-CG 3.3Å; Q182-D186 PolarHBondContact O-N 2.79Å; D186-N190 WeakPolarHBondContact CB-ND2 3.35Å; D186-K226 IonicContact OD1-NZ 2.93Å
187	G	90.7	Very high	88.8	Confident	5 Å²	5	41.2 Å²	41.2	5%	0.052	22%	0.224	C	C	.	.			trans	69.6	-158.4	177.5	0	0	0	0	0	113.8	G183 N189 N190 N230	G183-G187 PolarHBondContact O-N 2.78Å; G187-N189 PolarHBondContact O-N 2.72Å; G187-N190 PolarHBondContact O-N 3.44Å; G187-N190 VanDerWaalsContact O-N 3.15Å; G187-N230 WeakPolarHBondContact CA-ND2 3.4Å; G187-N230 PolarHBondContact N-ND2 2.85Å
188	G	91.6	Very high	88.3	Confident	40 Å²	40	43.3 Å²	43.3	41%	0.412	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	58.3	-122.1	178.5	0	0	0	0	0	112.2	N190 I191 Y234	G188-N190 PolarHBondContact O-N 3.04Å; G188-I191 PolarHBondContact O-N 3.45Å; G188-Y234 PolarHBondContact O-OH 3.18Å
189	N	90.6	Very high	87.8	Confident	154 Å²	154	41.3 Å²	41.3	82%	0.824	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-60.8	-17.7	-178.8	-66	-11.8	0	0	0	114	G187 I191 T192	G187-N189 PolarHBondContact O-N 2.72Å; N189-I191 VanDerWaalsContact C-N 3.27Å; N189-I191 PolarHBondContact O-N 3.19Å; N189-T192 VanDerWaalsContact O-CG2 3.26Å; N189-T192 WeakPolarHBondContact O-CG2 3.21Å
190	N	91.9	Very high	87.4	Confident	47 Å²	47	39.3 Å²	39.3	25%	0.251	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-79.6	-5.7	174.8	-66.5	-27	0	0	0	113.3	I177 H178 G183 D186 G187 G188	I177-N190 CarbonylContact C-O 3.56Å; I177-N190 WeakPolarHBondContact CA-O 3.31Å; H178-N190 HydrophobicContact CB-CB 4.44Å; H178-N190 PolarHBondContact CD2-O 2.78Å; H178-N190 PolarHBondContact N-O 2.96Å; G183-N190 WeakPolarHBondContact O-CB 3.41Å; D186-N190 WeakPolarHBondContact CB-ND2 3.35Å; G187-N190 PolarHBondContact O-N 3.44Å; G187-N190 VanDerWaalsContact O-N 3.15Å; G188-N190 PolarHBondContact O-N 3.04Å
191	I	93	Very high	87	Confident	7 Å²	7	41.8 Å²	41.8	4%	0.036	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	99	172.7	-56.1	-178.2	0	0	0	108.6	Y175 F176 I177 G188 N189 N230 Y234 I236	Y175-I191 HydrophobicContact CD1-CG2 4.01Å; Y175-I191 HydrophobicContact CG-CG2 4.41Å; F176-I191 CarbonylContact O-C 3.54Å; F176-I191 WeakPolarHBondContact O-CA 3.5Å; I177-I191 HydrophobicContact CG1-CG1 4.35Å; I177-I191 HydrophobicContact CG2-CG1 4.47Å; G188-I191 PolarHBondContact O-N 3.45Å; N189-I191 VanDerWaalsContact C-N 3.27Å; N189-I191 PolarHBondContact O-N 3.19Å; I191-N230 HydrophobicContact CD1-CB 4.14Å; I191-Y234 HydrophobicContact CB-CD2 4.12Å; I191-Y234 HydrophobicContact CB-CE2 3.73Å; I191-Y234 HydrophobicContact CD1-CD2 4.1Å; I191-Y234 HydrophobicContact CD1-CE2 4Å; I191-Y234 HydrophobicContact CG1-CE2 4.38Å; I191-Y234 HydrophobicContact CG2-CD2 3.66Å; I191-Y234 HydrophobicContact CG2-CE2 3.79Å; I191-Y234 HydrophobicContact CG2-CG 4.07Å; I191-I236 HydrophobicContact CG2-CD1 3.84Å
192	T	93.1	Very high	86.7	Confident	49 Å²	49	41.3 Å²	41.3	30%	0.301	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.1	-173.3	63.2	0	0	0	0	111.8	Y175 F176 H178 N189 A194	Y175-T192 WeakPolarHBondContact CA-O 3.32Å; F176-T192 PolarHBondContact N-O 2.93Å; F176-T192 PolarHBondContact O-N 2.89Å; H178-T192 PolarHBondContact NE2-OG1 3.3Å; N189-T192 VanDerWaalsContact O-CG2 3.26Å; N189-T192 WeakPolarHBondContact O-CG2 3.21Å; T192-A194 PolarHBondContact O-N 2.88Å
193	L	92.7	Very high	86.4	Confident	102 Å²	102	40.2 Å²	40.2	53%	0.534	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	124.1	173	-174.8	73.4	0	0	0	110.5	Q173 Y175	Q173-L193 HydrophobicContact CB-CD1 4.26Å; Y175-L193 HydrophobicContact CD1-CB 4.25Å; Y175-L193 HydrophobicContact CD1-CD1 4.24Å; Y175-L193 HydrophobicContact CD2-CD1 4.43Å; Y175-L193 HydrophobicContact CE1-CB 4Å; Y175-L193 HydrophobicContact CE1-CD1 3.81Å; Y175-L193 HydrophobicContact CE2-CD1 4.02Å
194	A	88.7	Confident	86	Confident	3 Å²	3	41.6 Å²	41.6	3%	0.025	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	139.7	173.6	0	0	0	0	0	110.5	V174 F176 T192	V174-A194 HydrophobicContact CB-CB 4.32Å; V174-A194 HydrophobicContact CG1-CB 4.33Å; V174-A194 WeakPolarHBondContact O-CB 3.37Å; V174-A194 PolarHBondContact O-N 3.01Å; F176-A194 HydrophobicContact CD1-CB 4.45Å; F176-A194 HydrophobicContact CD2-CB 3.9Å; F176-A194 HydrophobicContact CE1-CB 4.15Å; F176-A194 HydrophobicContact CE2-CB 3.57Å; F176-A194 HydrophobicContact CG-CB 4.32Å; F176-A194 HydrophobicContact CZ-CB 3.7Å; T192-A194 PolarHBondContact O-N 2.88Å
195	N	85.4	Confident	85.4	Confident	85 Å²	85	47.8 Å²	47.8	46%	0.455	26%	0.262	S	S	.	.			trans	-120.5	175.1	167.9	67.8	63.4	0	0	0	110	N197 S198	N195-N197 PolarHBondContact O-N 2.88Å; N195-N197 WeakPolarHBondContact OD1-CA 3.5Å; N195-N197 WeakPolarHBondContact OD1-CB 3.26Å; N195-N197 PolarHBondContact OD1-N 3.05Å; N195-S198 VanDerWaalsContact CG-OG 3.28Å; N195-S198 PolarHBondContact N-OG 2.86Å; N195-S198 PolarHBondContact ND2-OG 2.91Å; N195-S198 VanDerWaalsContact O-CB 3.26Å; N195-S198 WeakPolarHBondContact O-CB 3.25Å; N195-S198 PolarHBondContact O-N 2.89Å; N195-S198 VanDerWaalsContact O-N 3.08Å; N195-S198 PolarHBondContact O-OG 3.39Å; N195-S198 PolarHBondContact OD1-N 3Å; N195-S198 VanDerWaalsContact OD1-N 3.11Å; N195-S198 PolarHBondContact OD1-OG 3.32Å
196	W	80.4	Confident	84.4	Confident	30 Å²	30	48.4 Å²	48.4	11%	0.114	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-58.2	-33.8	-176.6	-162.5	-83.3	0	0	0	114.1	R165 L168 V199 I900 L901 K903 H904	R165-W196 HydrophobicContact CB-CE3 4.28Å; R165-W196 HydrophobicContact CB-CH2 3.61Å; R165-W196 HydrophobicContact CB-CZ2 4.13Å; R165-W196 HydrophobicContact CB-CZ3 3.7Å; R165-W196 VanDerWaalsContact CD-CZ2 3.44Å; R165-W196 HydrophobicContact CG-CD2 3.87Å; R165-W196 HydrophobicContact CG-CE3 3.84Å; R165-W196 HydrophobicContact CG-CH2 3.59Å; R165-W196 HydrophobicContact CG-CZ2 3.62Å; R165-W196 HydrophobicContact CG-CZ3 3.7Å; L168-W196 HydrophobicContact CB-CE3 4.28Å; L168-W196 HydrophobicContact CB-CZ3 4.45Å; L168-W196 HydrophobicContact CD1-CB 4.41Å; L168-W196 HydrophobicContact CD1-CE3 4.12Å; W196-V199 WeakPolarHBondContact O-CG2 3.4Å; W196-I900 WeakPolarHBondContact CH2-O 3.29Å; W196-L901 WeakPolarHBondContact CZ2-O 3.27Å; W196-K903 WeakPolarHBondContact CH2-O 3.26Å; W196-K903 WeakPolarHBondContact CZ2-O 3.43Å; W196-H904 AromaticContact CD1-CD2 3.9Å; W196-H904 AromaticContact CD1-CE1 3.11Å; W196-H904 AromaticContact CD1-ND1 3.69Å; W196-H904 AromaticContact CD1-NE2 3.24Å; W196-H904 AromaticContact CG-CE1 3.9Å; W196-H904 AromaticContact NE1-CD2 3.49Å; W196-H904 PolarHBondContact NE1-CD2 3.07Å; W196-H904 AromaticContact NE1-CE1 3.53Å; W196-H904 AromaticContact NE1-NE2 3.17Å; W196-H904 PolarHBondContact NE1-NE2 3.15Å; W196-H904 VanDerWaalsContact NE1-NE2 3.17Å
197	N	80.5	Confident	83.4	Confident	96 Å²	96	45.3 Å²	45.3	51%	0.513	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-81.3	-23.3	-179.7	-64.7	-18.8	0	0	0	112.3	N195 V199 S200	N195-N197 PolarHBondContact O-N 2.88Å; N195-N197 WeakPolarHBondContact OD1-CA 3.5Å; N195-N197 WeakPolarHBondContact OD1-CB 3.26Å; N195-N197 PolarHBondContact OD1-N 3.05Å; N197-V199 PolarHBondContact O-N 2.87Å; N197-S200 PolarHBondContact O-N 2.99Å; N197-S200 VanDerWaalsContact O-N 3.13Å
198	S	78.6	Confident	82.4	Confident	45 Å²	45	46 Å²	46	32%	0.315	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-57.5	-19.7	175.6	-53.8	0	0	0	0	113.5	N195	N195-S198 VanDerWaalsContact CG-OG 3.28Å; N195-S198 PolarHBondContact N-OG 2.86Å; N195-S198 PolarHBondContact ND2-OG 2.91Å; N195-S198 VanDerWaalsContact O-CB 3.26Å; N195-S198 WeakPolarHBondContact O-CB 3.25Å; N195-S198 PolarHBondContact O-N 2.89Å; N195-S198 VanDerWaalsContact O-N 3.08Å; N195-S198 PolarHBondContact O-OG 3.39Å; N195-S198 PolarHBondContact OD1-N 3Å; N195-S198 VanDerWaalsContact OD1-N 3.11Å; N195-S198 PolarHBondContact OD1-OG 3.32Å
199	V	78.8	Confident	81.7	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-116.5	14.5	-179.1	-63.5	0	0	0	0	114.4	I161 C164 R165 F176 W196 N197 I202	I161-V199 HydrophobicContact CB-CB 4.27Å; I161-V199 HydrophobicContact CB-CG2 4.49Å; I161-V199 HydrophobicContact CG1-CB 4.18Å; I161-V199 HydrophobicContact CG2-CB 4.34Å; I161-V199 HydrophobicContact CG2-CG2 4.14Å; C164-V199 HydrophobicContact CB-CG1 3.96Å; C164-V199 HydrophobicContact CB-CG2 4.26Å; R165-V199 HydrophobicContact CG-CG2 4.28Å; F176-V199 HydrophobicContact CE2-CG1 4.47Å; F176-V199 HydrophobicContact CZ-CG1 3.65Å; W196-V199 WeakPolarHBondContact O-CG2 3.4Å; N197-V199 PolarHBondContact O-N 2.87Å; V199-I202 HydrophobicContact CB-CD1 3.94Å; V199-I202 HydrophobicContact CG1-CD1 4.19Å
200	S	77.7	Confident	81.1	Confident	40 Å²	40	40.1 Å²	40.1	28%	0.28	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	145.8	177.9	-70.6	0	0	0	0	112	R165 N197 I202	R165-S200 PolarHBondContact NH2-OG 3.09Å; N197-S200 PolarHBondContact O-N 2.99Å; N197-S200 VanDerWaalsContact O-N 3.13Å; S200-I202 VanDerWaalsContact C-N 3.26Å; S200-I202 PolarHBondContact O-N 2.98Å
201	D	76.1	Confident	80.4	Confident	51 Å²	51	38.5 Å²	38.5	27%	0.273	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	24.4	177.4	-68	-36.4	0	0	0	117	Q204 R205 R770	D201-Q204 PolarHBondContact O-NE2 3.17Å; D201-R205 PolarHBondContact O-NE 2.7Å; D201-R770 IonicContact OD1-CZ 3.35Å; D201-R770 IonicContact OD1-NE 2.8Å; D201-R770 PolarHBondContact OD1-NE 3.29Å; D201-R770 IonicContact OD1-NH2 3.68Å; D201-R770 PolarHBondContact OD1-NH2 2.95Å; D201-R770 IonicContact OD2-NE 3.68Å
202	I	78.8	Confident	79.3	Confident	8 Å²	8	39 Å²	39	4%	0.041	21%	0.211	C	C	.	.			trans	-105.2	-8.7	175.2	70.5	-173.8	0	0	0	115	L157 I161 V199 S200 Q204 R205 I209	L157-I202 HydrophobicContact CB-CB 4.38Å; L157-I202 HydrophobicContact CB-CG1 4.41Å; L157-I202 HydrophobicContact CD2-CB 4.02Å; L157-I202 HydrophobicContact CD2-CD1 3.69Å; L157-I202 HydrophobicContact CD2-CG1 4.14Å; I161-I202 HydrophobicContact CD1-CD1 4.4Å; I161-I202 HydrophobicContact CD1-CG1 3.63Å; I161-I202 HydrophobicContact CG1-CD1 3.72Å; I161-I202 HydrophobicContact CG1-CG1 3.51Å; V199-I202 HydrophobicContact CB-CD1 3.94Å; V199-I202 HydrophobicContact CG1-CD1 4.19Å; S200-I202 VanDerWaalsContact C-N 3.26Å; S200-I202 PolarHBondContact O-N 2.98Å; I202-Q204 PolarHBondContact O-N 2.86Å; I202-Q204 VanDerWaalsContact O-N 3.14Å; I202-R205 WeakPolarHBondContact O-CB 3.42Å; I202-R205 PolarHBondContact O-N 3.46Å; I202-I209 HydrophobicContact CD1-CD1 3.78Å; I202-I209 HydrophobicContact CG2-CG2 4.36Å
203	I	82.3	Confident	78.3	Confident	9 Å²	9	37.8 Å²	37.8	5%	0.046	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.8	-172.2	-158	170.8	0	0	0	114.5	R158 I161 L734 A735 S736	R158-I203 HydrophobicContact CB-CG1 4.33Å; R158-I203 WeakPolarHBondContact CD-O 3.47Å; R158-I203 HydrophobicContact CG-CG1 3.83Å; R158-I203 VanDerWaalsContact CG-O 3.22Å; R158-I203 WeakPolarHBondContact CG-O 3.44Å; I161-I203 HydrophobicContact CD1-CB 3.42Å; I161-I203 VanDerWaalsContact CD1-CB 3.42Å; I161-I203 HydrophobicContact CD1-CD1 4.3Å; I161-I203 HydrophobicContact CD1-CG1 3.77Å; I203-L734 WeakPolarHBondContact CD1-O 3.19Å; I203-A735 WeakPolarHBondContact CD1-O 3.08Å; I203-S736 WeakPolarHBondContact CG2-O 2.94Å
204	Q	78.7	Confident	77.2	Confident	30 Å²	30	39.1 Å²	39.1	14%	0.14	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-0.3	175.7	70.6	-77.2	-8.8	0	0	114.1	D201 I202 P448 D702	D201-Q204 PolarHBondContact O-NE2 3.17Å; I202-Q204 PolarHBondContact O-N 2.86Å; I202-Q204 VanDerWaalsContact O-N 3.14Å; Q204-P448 WeakPolarHBondContact O-CD 3.46Å; Q204-D702 HydrophobicContact CB-CB 4.41Å; Q204-D702 VanDerWaalsContact CB-CG 3.41Å; Q204-D702 VanDerWaalsContact CB-OD1 3.32Å; Q204-D702 WeakPolarHBondContact CB-OD1 3.32Å; Q204-D702 WeakPolarHBondContact CB-OD2 3.44Å; Q204-D702 HydrophobicContact CG-CB 4.44Å
205	R	78.5	Confident	76.7	Confident	130 Å²	130	39.3 Å²	39.3	49%	0.491	21%	0.205	S	C	.	.			trans	-91.3	142.2	-179	-58.9	-175.9	-165.9	-150	1.7	109.8	L157 D201 I202	L157-R205 HydrophobicContact CD1-CB 3.56Å; D201-R205 PolarHBondContact O-NE 2.7Å; I202-R205 WeakPolarHBondContact O-CB 3.42Å; I202-R205 PolarHBondContact O-N 3.46Å
206	S	72	Confident	76.5	Confident	14 Å²	14	42.8 Å²	42.8	10%	0.098	22%	0.216	C	C	.	.			trans	-92.7	167.1	173	144.7	0	0	0	0	111	Q137 L154 G446	Q137-S206 PolarHBondContact NE2-O 2.93Å; L154-S206 WeakPolarHBondContact CD2-OG 3.32Å; S206-G446 WeakPolarHBondContact CB-O 3.48Å
207	G	70.8	Confident	76.6	Confident	6 Å²	6	44.7 Å²	44.7	6%	0.062	23%	0.229	C	C	.	.	S	Bend	trans	73.7	-171.3	-175.1	0	0	0	0	0	112	V155 L157	V155-G207 CarbonylContact O-C 3.6Å; L157-G207 VanDerWaalsContact CD1-O 3.23Å; L157-G207 WeakPolarHBondContact CD1-O 3.32Å; L157-G207 WeakPolarHBondContact CG-O 3.23Å; L157-G207 PolarHBondContact N-O 2.9Å
208	T	70.4	Confident	76.8	Confident	19 Å²	19	40.8 Å²	40.8	12%	0.117	21%	0.207	C	C	.	.			trans	-104.5	155.3	175.5	-178	0	0	0	0	111.6	T131 D135 Y160 I210 G211	T131-T208 PolarHBondContact OG1-OG1 2.79Å; D135-T208 HydrophobicContact CB-CG2 4.03Å; D135-T208 WeakPolarHBondContact OD1-CG2 3.24Å; D135-T208 VanDerWaalsContact OD2-CG2 3.25Å; D135-T208 WeakPolarHBondContact OD2-CG2 3.4Å; Y160-T208 PolarHBondContact OH-OG1 2.86Å; T208-I210 PolarHBondContact OG1-N 3.27Å; T208-G211 VanDerWaalsContact CG2-CA 3.42Å; T208-G211 VanDerWaalsContact CG2-N 3.29Å
209	I	76	Confident	76.8	Confident	67 Å²	67	45.9 Å²	45.9	34%	0.344	22%	0.219	S	C	.	.	S	Bend	trans	-91.6	-17.3	170	52.7	177.2	0	0	0	112.9	L157 F176 I202	L157-I209 HydrophobicContact CD1-CG2 4.13Å; L157-I209 HydrophobicContact CD2-CB 3.68Å; L157-I209 HydrophobicContact CD2-CD1 3.87Å; L157-I209 HydrophobicContact CD2-CG1 3.44Å; L157-I209 VanDerWaalsContact CD2-CG1 3.44Å; L157-I209 HydrophobicContact CD2-CG2 3.29Å; L157-I209 HydrophobicContact CG-CG2 4.32Å; F176-I209 HydrophobicContact CE2-CD1 4.45Å; F176-I209 HydrophobicContact CZ-CD1 4.42Å; I202-I209 HydrophobicContact CD1-CD1 3.78Å; I202-I209 HydrophobicContact CG2-CG2 4.36Å
210	I	79.2	Confident	77.1	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.015	24%	0.236	C	C	.	.	S	Bend	trans	-104.8	3	-175.6	73.7	-179.4	0	0	0	112.6	T131 Y160 F176 I177 H178 E179 T208	T131-I210 WeakPolarHBondContact OG1-CG1 3.35Å; Y160-I210 HydrophobicContact CD1-CD1 4.48Å; Y160-I210 HydrophobicContact CE1-CD1 3.41Å; Y160-I210 VanDerWaalsContact CE1-CD1 3.41Å; Y160-I210 HydrophobicContact CE1-CG1 4.1Å; Y160-I210 WeakPolarHBondContact OH-CD1 3.36Å; Y160-I210 WeakPolarHBondContact OH-CG1 3.48Å; F176-I210 HydrophobicContact CB-CG2 3.87Å; F176-I210 HydrophobicContact CD1-CG2 4.11Å; F176-I210 HydrophobicContact CD2-CG2 4.25Å; F176-I210 HydrophobicContact CG-CG2 3.83Å; I177-I210 WeakPolarHBondContact O-CD1 3.36Å; H178-I210 CarbonylContact C-O 3.59Å; H178-I210 WeakPolarHBondContact CA-O 3.48Å; H178-I210 WeakPolarHBondContact CB-O 3.48Å; H178-I210 WeakPolarHBondContact ND1-CA 3.4Å; E179-I210 PolarHBondContact N-O 3.22Å; T208-I210 PolarHBondContact OG1-N 3.27Å
211	G	75.8	Confident	77.5	Confident	14 Å²	14	49.8 Å²	49.8	14%	0.144	24%	0.243	C	C	.	.			trans	67.2	175.9	-177.6	0	0	0	0	0	114.5	T131 T208	T131-G211 WeakPolarHBondContact CB-O 3.34Å; T131-G211 PolarHBondContact OG1-O 3.29Å; T208-G211 VanDerWaalsContact CG2-CA 3.42Å; T208-G211 VanDerWaalsContact CG2-N 3.29Å
212	S	71.3	Confident	78.1	Confident	16 Å²	16	53.3 Å²	53.3	11%	0.112	26%	0.258	C	S	.	.			trans	-151.6	117.2	171.7	177.4	0	0	0	0	109.5	S132 G133 D135	S132-S212 WeakPolarHBondContact CA-OG 3.29Å; G133-S212 PolarHBondContact N-OG 2.92Å; G133-S212 PolarHBondContact O-OG 3.06Å; D135-S212 VanDerWaalsContact CG-CB 3.42Å; D135-S212 WeakPolarHBondContact OD1-CB 3.39Å; D135-S212 PolarHBondContact OD1-N 2.82Å; D135-S212 VanDerWaalsContact OD1-N 3.09Å; D135-S212 WeakPolarHBondContact OD2-CB 3.49Å
213	A	72.6	Confident	78.6	Confident	24 Å²	24	53.2 Å²	53.2	20%	0.198	26%	0.258	C	S	.	.			trans	-109.2	150.2	172.9	0	0	0	0	0	111.9	E179 Q182 S215	E179-A213 HydrophobicContact CB-CB 3.88Å; E179-A213 WeakPolarHBondContact O-CB 3.4Å; E179-A213 PolarHBondContact O-N 2.94Å; E179-A213 VanDerWaalsContact O-N 3.11Å; Q182-A213 HydrophobicContact CB-CB 3.86Å; A213-S215 PolarHBondContact O-N 2.66Å
214	R	69.4	Low	79	Confident	130 Å²	130	54.5 Å²	54.5	49%	0.491	26%	0.263	S	S	.	.			trans	-80.8	99.3	173.2	-55.1	-164.8	-76.8	168.2	0.9	109.1	K216 S247 L248 T249	R214-K216 PolarHBondContact O-N 3.45Å; R214-S247 WeakPolarHBondContact CD-O 3.41Å; R214-S247 WeakPolarHBondContact CG-O 3.31Å; R214-L248 HydrophobicContact CB-CD2 4.39Å; R214-T249 PolarHBondContact NH1-O 3.5Å
215	S	76.7	Confident	79.6	Confident	8 Å²	8	54.1 Å²	54.1	6%	0.056	26%	0.262	C	S	.	.			trans	-75	126.5	175.9	-170.2	0	0	0	0	111.7	Q182 A213 D217 F218	Q182-S215 VanDerWaalsContact OE1-CA 3.29Å; Q182-S215 VanDerWaalsContact OE1-CB 3.25Å; Q182-S215 PolarHBondContact OE1-OG 3.27Å; A213-S215 PolarHBondContact O-N 2.66Å; S215-D217 PolarHBondContact OG-N 2.91Å; S215-F218 PolarHBondContact OG-N 2.98Å
216	K	81.5	Confident	80.3	Confident	158 Å²	158	52.2 Å²	52.2	69%	0.687	26%	0.257	S	S	*	.	S	Bend	trans	-82.5	-40.8	163.1	-70.8	-176.4	178.9	-179	0	110.1	R214 F218 R219	R214-K216 PolarHBondContact O-N 3.45Å; K216-F218 PolarHBondContact O-N 3.25Å; K216-R219 VanDerWaalsContact O-CB 3.23Å; K216-R219 WeakPolarHBondContact O-CB 3.39Å; K216-R219 PolarHBondContact O-N 3.02Å
217	D	83.1	Confident	81.2	Confident	70 Å²	70	51.5 Å²	51.5	37%	0.374	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-61	-42.2	-173.3	-50.1	-15.1	0	0	0	111.9	Q182 V185 S215 R219 T220 G223	Q182-D217 PolarHBondContact NE2-OD2 3.41Å; V185-D217 HydrophobicContact CG1-CB 3.89Å; V185-D217 HydrophobicContact CG2-CB 4.46Å; S215-D217 PolarHBondContact OG-N 2.91Å; D217-R219 PolarHBondContact O-N 3.25Å; D217-T220 PolarHBondContact O-N 3.06Å; D217-T220 PolarHBondContact O-OG1 3.14Å; D217-G223 WeakPolarHBondContact O-CA 3.28Å
218	F	84.3	Confident	82.2	Confident	13 Å²	13	51.3 Å²	51.3	6%	0.057	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-64.7	-9	177.8	-162	-94.9	0	0	0	114	Y181 M184 V185 S215 K216 T220 R224 A227 F271	Y181-F218 AromaticContact CD1-CD1 3.55Å; Y181-F218 HydrophobicContact CD1-CD1 3.55Å; Y181-F218 AromaticContact CD1-CD2 3.88Å; Y181-F218 HydrophobicContact CD1-CD2 3.88Å; Y181-F218 AromaticContact CD1-CE1 3.5Å; Y181-F218 HydrophobicContact CD1-CE1 3.5Å; Y181-F218 VanDerWaalsContact CD1-CE1 3.5Å; Y181-F218 AromaticContact CD1-CE2 3.8Å; Y181-F218 HydrophobicContact CD1-CE2 3.8Å; Y181-F218 AromaticContact CD1-CG 3.76Å; Y181-F218 HydrophobicContact CD1-CG 3.76Å; Y181-F218 AromaticContact CD1-CZ 3.62Å; Y181-F218 HydrophobicContact CD1-CZ 3.62Å; Y181-F218 HydrophobicContact CD2-CD1 4.4Å; Y181-F218 AromaticContact CE1-CD1 3.88Å; Y181-F218 HydrophobicContact CE1-CD1 3.88Å; Y181-F218 AromaticContact CE1-CE1 3.38Å; Y181-F218 HydrophobicContact CE1-CE1 3.38Å; Y181-F218 HydrophobicContact CE1-CE2 4.21Å; Y181-F218 HydrophobicContact CE1-CG 4.49Å; Y181-F218 AromaticContact CE1-CZ 3.57Å; Y181-F218 HydrophobicContact CE1-CZ 3.57Å; Y181-F218 HydrophobicContact CG-CB 4.41Å; Y181-F218 AromaticContact CG-CD1 3.86Å; Y181-F218 HydrophobicContact CG-CD1 3.86Å; Y181-F218 HydrophobicContact CG-CD2 4.45Å; Y181-F218 HydrophobicContact CG-CE1 4.23Å; Y181-F218 AromaticContact CG-CG 3.98Å; Y181-F218 HydrophobicContact CG-CG 3.98Å; M184-F218 HydrophobicContact SD-CE2 3.99Å; V185-F218 HydrophobicContact CG2-CB 3.93Å; V185-F218 HydrophobicContact CG2-CD2 3.8Å; V185-F218 HydrophobicContact CG2-CG 4.38Å; S215-F218 PolarHBondContact OG-N 2.98Å; K216-F218 PolarHBondContact O-N 3.25Å; F218-T220 VanDerWaalsContact C-N 3.33Å; F218-R224 HydrophobicContact CD1-CG 4.23Å; F218-R224 HydrophobicContact CD2-CG 4.02Å; F218-R224 HydrophobicContact CE1-CG 4.19Å; F218-R224 HydrophobicContact CE2-CG 4Å; F218-R224 HydrophobicContact CG-CG 4.14Å; F218-R224 HydrophobicContact CZ-CG 4.08Å; F218-R224 WeakPolarHBondContact O-CD 3.44Å; F218-R224 VanDerWaalsContact O-CG 3.23Å; F218-R224 WeakPolarHBondContact O-CG 3.16Å; F218-A227 HydrophobicContact CD2-CB 3.93Å; F218-A227 HydrophobicContact CE2-CB 3.69Å; F218-F271 HydrophobicContact CE2-CD2 4.13Å; F218-F271 HydrophobicContact CE2-CE2 4.09Å; F218-F271 HydrophobicContact CE2-CG 4.45Å; F218-F271 HydrophobicContact CE2-CZ 4.38Å; F218-F271 HydrophobicContact CZ-CB 4.03Å; F218-F271 HydrophobicContact CZ-CD1 4.19Å; F218-F271 AromaticContact CZ-CD2 3.75Å; F218-F271 HydrophobicContact CZ-CD2 3.75Å; F218-F271 HydrophobicContact CZ-CE2 4.17Å; F218-F271 AromaticContact CZ-CG 3.75Å; F218-F271 HydrophobicContact CZ-CG 3.75Å
219	R	79.7	Confident	83.3	Confident	152 Å²	152	51.8 Å²	51.8	57%	0.574	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-78	-18.4	170.1	-61.6	173.2	156.3	-152.9	-9	112.8	K216 D217	K216-R219 VanDerWaalsContact O-CB 3.23Å; K216-R219 WeakPolarHBondContact O-CB 3.39Å; K216-R219 PolarHBondContact O-N 3.02Å; D217-R219 PolarHBondContact O-N 3.25Å
220	T	85	Confident	84.2	Confident	58 Å²	58	49 Å²	49	36%	0.356	24%	0.237	S	C	.	.	S	Bend	trans	-96.4	154.7	-179.7	89.9	0	0	0	0	110.8	D217 F218 E222 G223 R224	D217-T220 PolarHBondContact O-N 3.06Å; D217-T220 PolarHBondContact O-OG1 3.14Å; F218-T220 VanDerWaalsContact C-N 3.33Å; T220-E222 WeakPolarHBondContact CB-OE2 3.49Å; T220-E222 PolarHBondContact O-N 3.04Å; T220-E222 PolarHBondContact OG1-N 3Å; T220-E222 PolarHBondContact OG1-OE2 3.13Å; T220-G223 PolarHBondContact O-N 3.25Å; T220-G223 PolarHBondContact OG1-N 3.19Å; T220-R224 WeakPolarHBondContact O-CG 3.4Å; T220-R224 PolarHBondContact O-N 2.78Å; T220-R224 PolarHBondContact O-NE 3.25Å
221	P	85	Confident	84.8	Confident	65 Å²	65	48.9 Å²	48.9	42%	0.422	24%	0.237	S	C	.	.	H	α-helix	trans	-57.1	-36.9	173.2	-24.3	35.4	0	0	0	112.9	R224 L225	P221-R224 PolarHBondContact O-N 3.1Å; P221-L225 WeakPolarHBondContact O-CB 3.32Å; P221-L225 PolarHBondContact O-N 3.4Å
222	E	89.1	Confident	85.6	Confident	126 Å²	126	48.3 Å²	48.3	59%	0.589	23%	0.23	S	C	*	.	H	α-helix	trans	-68.4	-41.1	-178	-52.7	73.2	-158.6	0	0	112.1	T220 L225 K226	T220-E222 WeakPolarHBondContact CB-OE2 3.49Å; T220-E222 PolarHBondContact O-N 3.04Å; T220-E222 PolarHBondContact OG1-N 3Å; T220-E222 PolarHBondContact OG1-OE2 3.13Å; E222-L225 PolarHBondContact O-N 3.32Å; E222-K226 WeakPolarHBondContact O-CB 3.21Å; E222-K226 PolarHBondContact O-N 3Å
223	G	88.9	Confident	86.5	Confident	5 Å²	5	52.8 Å²	52.8	5%	0.052	25%	0.248	C	C	.	.	H	α-helix	trans	-65.3	-39.9	174.6	0	0	0	0	0	112	D217 T220 K226 A227	D217-G223 WeakPolarHBondContact O-CA 3.28Å; T220-G223 PolarHBondContact O-N 3.25Å; T220-G223 PolarHBondContact OG1-N 3.19Å; G223-K226 PolarHBondContact O-N 3.16Å; G223-A227 WeakPolarHBondContact O-CB 3.48Å; G223-A227 PolarHBondContact O-N 3.18Å
224	R	89.9	Confident	87.4	Confident	36 Å²	36	55.1 Å²	55.1	14%	0.136	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-40	174.5	-67.5	179.9	-66.4	166.2	18.8	111.9	F218 T220 P221 K226 A227 A228 T270 F271 E274 L278	F218-R224 HydrophobicContact CD1-CG 4.23Å; F218-R224 HydrophobicContact CD2-CG 4.02Å; F218-R224 HydrophobicContact CE1-CG 4.19Å; F218-R224 HydrophobicContact CE2-CG 4Å; F218-R224 HydrophobicContact CG-CG 4.14Å; F218-R224 HydrophobicContact CZ-CG 4.08Å; F218-R224 WeakPolarHBondContact O-CD 3.44Å; F218-R224 VanDerWaalsContact O-CG 3.23Å; F218-R224 WeakPolarHBondContact O-CG 3.16Å; T220-R224 WeakPolarHBondContact O-CG 3.4Å; T220-R224 PolarHBondContact O-N 2.78Å; T220-R224 PolarHBondContact O-NE 3.25Å; P221-R224 PolarHBondContact O-N 3.1Å; R224-K226 PolarHBondContact O-N 3.43Å; R224-A227 PolarHBondContact O-N 3.48Å; R224-A228 PolarHBondContact O-N 3.39Å; R224-T270 VanDerWaalsContact NH1-CG2 3.34Å; R224-F271 HydrophobicContact CB-CD2 4.09Å; R224-F271 HydrophobicContact CB-CE2 4.15Å; R224-F271 HydrophobicContact CG-CD2 4.31Å; R224-F271 WeakPolarHBondContact O-CE2 3.37Å; R224-E274 VanDerWaalsContact CZ-CD 3.4Å; R224-E274 IonicContact CZ-OE1 3.13Å; R224-E274 IonicContact CZ-OE2 2.85Å; R224-E274 IonicContact NE-OE2 3.39Å; R224-E274 PolarHBondContact NE-OE2 3.05Å; R224-E274 IonicContact NH1-OE1 3.17Å; R224-E274 PolarHBondContact NH1-OE1 2.97Å; R224-E274 IonicContact NH1-OE2 3.36Å; R224-E274 PolarHBondContact NH1-OE2 2.9Å; R224-E274 VanDerWaalsContact NH2-CD 3.3Å; R224-E274 IonicContact NH2-OE1 2.85Å; R224-E274 PolarHBondContact NH2-OE1 3.15Å; R224-E274 IonicContact NH2-OE2 2.98Å; R224-E274 PolarHBondContact NH2-OE2 3.46Å; R224-L278 HydrophobicContact CB-CD1 4.33Å
225	L	91.7	Very high	88.3	Confident	23 Å²	23	49.5 Å²	49.5	12%	0.12	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-44.1	172.8	-170.2	71.8	0	0	0	112	P221 E222 A228 D229 L278 Q281 L282	P221-L225 WeakPolarHBondContact O-CB 3.32Å; P221-L225 PolarHBondContact O-N 3.4Å; E222-L225 PolarHBondContact O-N 3.32Å; L225-A228 PolarHBondContact O-N 3.35Å; L225-D229 PolarHBondContact O-N 2.96Å; L225-L278 HydrophobicContact CB-CD2 4.2Å; L225-L278 HydrophobicContact CD1-CB 4.32Å; L225-L278 HydrophobicContact CD1-CD2 3.95Å; L225-Q281 HydrophobicContact CD1-CB 3.68Å; L225-L282 HydrophobicContact CD1-CD2 3.71Å; L225-L282 HydrophobicContact CD1-CG 3.7Å; L225-L282 HydrophobicContact CG-CD2 3.83Å; L225-L282 HydrophobicContact CG-CG 4.37Å
226	K	92.9	Very high	89	Confident	89 Å²	89	49.1 Å²	49.1	39%	0.387	23%	0.232	S	C	.	.	H	α-helix	trans	-65.1	-39.2	175.9	-169.5	-176.5	172.9	-137.8	0	112.1	V185 D186 E222 G223 R224 N230	V185-K226 HydrophobicContact CG1-CD 3.9Å; V185-K226 WeakPolarHBondContact O-CD 3.42Å; V185-K226 WeakPolarHBondContact O-CE 3.4Å; V185-K226 WeakPolarHBondContact O-CG 3.34Å; V185-K226 PolarHBondContact O-NZ 3.44Å; D186-K226 IonicContact OD1-NZ 2.93Å; E222-K226 WeakPolarHBondContact O-CB 3.21Å; E222-K226 PolarHBondContact O-N 3Å; G223-K226 PolarHBondContact O-N 3.16Å; R224-K226 PolarHBondContact O-N 3.43Å; K226-N230 WeakPolarHBondContact O-CB 3.49Å; K226-N230 VanDerWaalsContact O-CG 3.23Å; K226-N230 PolarHBondContact O-N 3.49Å; K226-N230 PolarHBondContact O-ND2 2.87Å
227	A	91.9	Very high	89.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.8	-43.9	174.2	0	0	0	0	0	112.3	M184 V185 F218 G223 R224 N230 L231 F271	M184-A227 HydrophobicContact CG-CB 3.92Å; M184-A227 HydrophobicContact SD-CB 4.08Å; V185-A227 HydrophobicContact CG2-CB 4.19Å; F218-A227 HydrophobicContact CD2-CB 3.93Å; F218-A227 HydrophobicContact CE2-CB 3.69Å; G223-A227 WeakPolarHBondContact O-CB 3.48Å; G223-A227 PolarHBondContact O-N 3.18Å; R224-A227 PolarHBondContact O-N 3.48Å; A227-N230 PolarHBondContact O-N 3.01Å; A227-L231 WeakPolarHBondContact O-CG 3.48Å; A227-L231 PolarHBondContact O-N 2.91Å; A227-F271 HydrophobicContact CB-CE2 4.43Å; A227-F271 HydrophobicContact CB-CZ 4.25Å
228	A	92.4	Very high	89.8	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-45.5	176	0	0	0	0	0	112	R224 L225 N230 L231 L232 F271 W275 L278 L282	R224-A228 PolarHBondContact O-N 3.39Å; L225-A228 PolarHBondContact O-N 3.35Å; A228-N230 VanDerWaalsContact C-N 3.33Å; A228-N230 PolarHBondContact O-N 3.49Å; A228-L231 PolarHBondContact O-N 3.24Å; A228-L232 WeakPolarHBondContact O-CB 3.46Å; A228-L232 WeakPolarHBondContact O-CD1 3.38Å; A228-L232 VanDerWaalsContact O-CG 3.27Å; A228-L232 WeakPolarHBondContact O-CG 3.36Å; A228-L232 PolarHBondContact O-N 3.26Å; A228-F271 HydrophobicContact CB-CE2 4.22Å; A228-F271 HydrophobicContact CB-CZ 4.1Å; A228-W275 HydrophobicContact CB-CE3 4.2Å; A228-W275 HydrophobicContact CB-CH2 4.21Å; A228-W275 HydrophobicContact CB-CZ3 3.64Å; A228-L278 HydrophobicContact CB-CB 4.29Å; A228-L278 HydrophobicContact CB-CD1 4.22Å; A228-L282 HydrophobicContact CB-CD1 4.07Å
229	D	92.8	Very high	90.1	Very high	30 Å²	30	38.8 Å²	38.8	16%	0.16	19%	0.185	C	C	.	.	H	α-helix	trans	-55.9	-45.7	173.3	178	43.3	0	0	0	112	L225 L232 K233 L282	L225-D229 PolarHBondContact O-N 2.96Å; D229-L232 PolarHBondContact O-N 3.01Å; D229-K233 WeakPolarHBondContact O-CG 3.2Å; D229-K233 PolarHBondContact O-N 3.31Å; D229-K233 VanDerWaalsContact O-N 3.12Å; D229-K233 VanDerWaalsContact OD1-CE 3.28Å; D229-K233 WeakPolarHBondContact OD1-CE 3.4Å; D229-K233 IonicContact OD1-NZ 3.14Å; D229-K233 WeakPolarHBondContact OD2-CE 3.44Å; D229-K233 IonicContact OD2-NZ 2.7Å; D229-K233 PolarHBondContact OD2-NZ 3.23Å; D229-L282 HydrophobicContact CB-CD1 4.21Å; D229-L282 HydrophobicContact CB-CD2 3.83Å
230	N	94.2	Very high	90.5	Very high	9 Å²	9	31.5 Å²	31.5	5%	0.048	16%	0.158	C	C	.	.	H	α-helix	trans	-63.9	-44.5	177.7	-71.6	-22	0	0	0	113.4	M184 V185 G187 I191 K226 A227 A228 L232 K233 Y234	M184-N230 PolarHBondContact O-ND2 3.01Å; V185-N230 PolarHBondContact O-ND2 3.18Å; G187-N230 WeakPolarHBondContact CA-ND2 3.4Å; G187-N230 PolarHBondContact N-ND2 2.85Å; I191-N230 HydrophobicContact CD1-CB 4.14Å; K226-N230 WeakPolarHBondContact O-CB 3.49Å; K226-N230 VanDerWaalsContact O-CG 3.23Å; K226-N230 PolarHBondContact O-N 3.49Å; K226-N230 PolarHBondContact O-ND2 2.87Å; A227-N230 PolarHBondContact O-N 3.01Å; A228-N230 VanDerWaalsContact C-N 3.33Å; A228-N230 PolarHBondContact O-N 3.49Å; N230-L232 VanDerWaalsContact C-N 3.34Å; N230-L232 PolarHBondContact O-N 3.11Å; N230-K233 WeakPolarHBondContact O-CB 3.42Å; N230-K233 PolarHBondContact O-N 3.39Å; N230-K233 PolarHBondContact OD1-NZ 2.97Å; N230-Y234 VanDerWaalsContact O-CD2 3.25Å; N230-Y234 WeakPolarHBondContact O-CD2 3.31Å
231	L	93.3	Very high	90.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.9	-41.7	177.1	-68.9	174.2	0	0	0	111.7	I177 M184 A227 A228 K233 Y234 G235 I236 L239 F271 W275 I299	I177-L231 HydrophobicContact CD1-CD2 3.76Å; M184-L231 HydrophobicContact CG-CD1 4.33Å; M184-L231 HydrophobicContact CG-CD2 4.17Å; M184-L231 HydrophobicContact CG-CG 4.2Å; M184-L231 HydrophobicContact SD-CD1 3.95Å; M184-L231 HydrophobicContact SD-CG 4.46Å; A227-L231 WeakPolarHBondContact O-CG 3.48Å; A227-L231 PolarHBondContact O-N 2.91Å; A228-L231 PolarHBondContact O-N 3.24Å; L231-K233 VanDerWaalsContact C-N 3.31Å; L231-K233 PolarHBondContact O-N 3.43Å; L231-Y234 CarbonylContact O-C 3.49Å; L231-Y234 PolarHBondContact O-N 2.82Å; L231-Y234 VanDerWaalsContact O-N 3.15Å; L231-G235 PolarHBondContact O-N 2.91Å; L231-G235 VanDerWaalsContact O-N 3.1Å; L231-I236 HydrophobicContact CB-CB 4.34Å; L231-I236 HydrophobicContact CD2-CB 4.05Å; L231-I236 HydrophobicContact CD2-CD1 4.16Å; L231-I236 HydrophobicContact CD2-CG2 3.96Å; L231-I236 PolarHBondContact O-N 2.83Å; L231-L239 HydrophobicContact CD1-CD1 4Å; L231-L239 HydrophobicContact CD2-CD2 4.16Å; L231-F271 HydrophobicContact CD1-CE1 3.78Å; L231-F271 HydrophobicContact CD1-CZ 4.04Å; L231-W275 HydrophobicContact CB-CH2 4.37Å; L231-W275 HydrophobicContact CD1-CH2 4.44Å; L231-W275 HydrophobicContact CD1-CZ3 4.27Å; L231-I299 HydrophobicContact CD1-CD1 4.09Å
232	L	91.7	Very high	90.2	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-66.1	-28.7	178.8	-72.4	165.4	0	0	0	112.9	A228 D229 N230 Y234 G235 W275 L279 L282 I288 K292 F296	A228-L232 WeakPolarHBondContact O-CB 3.46Å; A228-L232 WeakPolarHBondContact O-CD1 3.38Å; A228-L232 VanDerWaalsContact O-CG 3.27Å; A228-L232 WeakPolarHBondContact O-CG 3.36Å; A228-L232 PolarHBondContact O-N 3.26Å; D229-L232 PolarHBondContact O-N 3.01Å; N230-L232 VanDerWaalsContact C-N 3.34Å; N230-L232 PolarHBondContact O-N 3.11Å; L232-Y234 PolarHBondContact O-N 3.43Å; L232-G235 PolarHBondContact O-N 2.97Å; L232-G235 VanDerWaalsContact O-N 3.16Å; L232-W275 HydrophobicContact CD1-CH2 4.47Å; L232-W275 HydrophobicContact CD1-CZ2 4.39Å; L232-W275 HydrophobicContact CD2-CH2 4.4Å; L232-W275 HydrophobicContact CD2-CZ2 3.91Å; L232-W275 HydrophobicContact CG-CH2 4.1Å; L232-W275 HydrophobicContact CG-CZ2 4.08Å; L232-L279 HydrophobicContact CD1-CD2 3.6Å; L232-L279 HydrophobicContact CD2-CD2 4.32Å; L232-L282 HydrophobicContact CD1-CD1 3.73Å; L232-I288 HydrophobicContact CD1-CD1 3.9Å; L232-I288 HydrophobicContact CD1-CG2 4.34Å; L232-K292 WeakPolarHBondContact O-CE 3.07Å; L232-K292 PolarHBondContact O-NZ 3.35Å; L232-F296 HydrophobicContact CD2-CB 3.84Å; L232-F296 HydrophobicContact CD2-CD2 3.82Å; L232-F296 HydrophobicContact CD2-CG 4.11Å
233	K	90.8	Very high	89.3	Confident	111 Å²	111	19.8 Å²	19.8	48%	0.483	9%	0.094	S	C	.	.	H	α-helix	trans	-58	-35.1	172.5	-72.2	162.8	-158.5	161.1	0	112.2	D229 N230 L231	D229-K233 WeakPolarHBondContact O-CG 3.2Å; D229-K233 PolarHBondContact O-N 3.31Å; D229-K233 VanDerWaalsContact O-N 3.12Å; D229-K233 VanDerWaalsContact OD1-CE 3.28Å; D229-K233 WeakPolarHBondContact OD1-CE 3.4Å; D229-K233 IonicContact OD1-NZ 3.14Å; D229-K233 WeakPolarHBondContact OD2-CE 3.44Å; D229-K233 IonicContact OD2-NZ 2.7Å; D229-K233 PolarHBondContact OD2-NZ 3.23Å; N230-K233 WeakPolarHBondContact O-CB 3.42Å; N230-K233 PolarHBondContact O-N 3.39Å; N230-K233 PolarHBondContact OD1-NZ 2.97Å; L231-K233 VanDerWaalsContact C-N 3.31Å; L231-K233 PolarHBondContact O-N 3.43Å
234	Y	90.3	Very high	88	Confident	73 Å²	73	19.6 Å²	19.6	29%	0.286	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	5.4	177.6	-56	-82.2	0	0	0	113.7	Y175 G188 I191 N230 L231 L232 I236	Y175-Y234 HydrophobicContact CD1-CD1 4.31Å; Y175-Y234 AromaticContact CE1-CD1 3.66Å; Y175-Y234 HydrophobicContact CE1-CD1 3.66Å; Y175-Y234 HydrophobicContact CE1-CE1 4.45Å; Y175-Y234 HydrophobicContact CE1-CG 4.14Å; G188-Y234 PolarHBondContact O-OH 3.18Å; I191-Y234 HydrophobicContact CB-CD2 4.12Å; I191-Y234 HydrophobicContact CB-CE2 3.73Å; I191-Y234 HydrophobicContact CD1-CD2 4.1Å; I191-Y234 HydrophobicContact CD1-CE2 4Å; I191-Y234 HydrophobicContact CG1-CE2 4.38Å; I191-Y234 HydrophobicContact CG2-CD2 3.66Å; I191-Y234 HydrophobicContact CG2-CE2 3.79Å; I191-Y234 HydrophobicContact CG2-CG 4.07Å; N230-Y234 VanDerWaalsContact O-CD2 3.25Å; N230-Y234 WeakPolarHBondContact O-CD2 3.31Å; L231-Y234 CarbonylContact O-C 3.49Å; L231-Y234 PolarHBondContact O-N 2.82Å; L231-Y234 VanDerWaalsContact O-N 3.15Å; L232-Y234 PolarHBondContact O-N 3.43Å; Y234-I236 HydrophobicContact CG-CD1 4.46Å; Y234-I236 PolarHBondContact O-N 3.14Å
235	G	90.1	Very high	86	Confident	12 Å²	12	18.7 Å²	18.7	12%	0.124	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	16.6	-178.4	0	0	0	0	0	115	C126 L231 L232 T237	C126-G235 WeakPolarHBondContact CB-O 3.18Å; L231-G235 PolarHBondContact O-N 2.91Å; L231-G235 VanDerWaalsContact O-N 3.1Å; L232-G235 PolarHBondContact O-N 2.97Å; L232-G235 VanDerWaalsContact O-N 3.16Å; G235-T237 PolarHBondContact O-N 2.65Å
236	I	91.7	Very high	83.6	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.086	C	C	.	.			trans	-75.7	107.6	-174.1	-60.1	165.7	0	0	0	110.1	C126 Y175 I191 L231 Y234 L239	C126-I236 HydrophobicContact CB-CG1 4.37Å; Y175-I236 HydrophobicContact CD1-CD1 4.38Å; Y175-I236 HydrophobicContact CD2-CD1 3.88Å; Y175-I236 HydrophobicContact CD2-CG1 3.79Å; Y175-I236 HydrophobicContact CE2-CG1 4.33Å; Y175-I236 HydrophobicContact CG-CD1 3.72Å; Y175-I236 HydrophobicContact CG-CG1 4.18Å; I191-I236 HydrophobicContact CG2-CD1 3.84Å; L231-I236 HydrophobicContact CB-CB 4.34Å; L231-I236 HydrophobicContact CD2-CB 4.05Å; L231-I236 HydrophobicContact CD2-CD1 4.16Å; L231-I236 HydrophobicContact CD2-CG2 3.96Å; L231-I236 PolarHBondContact O-N 2.83Å; Y234-I236 HydrophobicContact CG-CD1 4.46Å; Y234-I236 PolarHBondContact O-N 3.14Å; I236-L239 HydrophobicContact CG2-CD2 3.6Å
237	T	89.5	Confident	80.7	Confident	17 Å²	17	13.8 Å²	13.8	10%	0.104	7%	0.069	C	C	.	.			trans	-117.5	-0.5	175.2	51	0	0	0	0	114.4	G235 F296 I299 N300	G235-T237 PolarHBondContact O-N 2.65Å; T237-F296 HydrophobicContact CG2-CB 3.66Å; T237-F296 HydrophobicContact CG2-CD1 3.35Å; T237-F296 HydrophobicContact CG2-CE1 4.2Å; T237-F296 HydrophobicContact CG2-CG 3.72Å; T237-I299 CarbonylContact O-C 3.6Å; T237-I299 WeakPolarHBondContact O-CA 3.24Å; T237-I299 WeakPolarHBondContact O-CG1 3.39Å; T237-N300 PolarHBondContact O-N 2.53Å
238	N	91.8	Very high	77.6	Confident	4 Å²	4	15.5 Å²	15.5	2%	0.021	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	108.8	-178.5	-55.2	-79.3	0	0	0	108.3	C126 L127 G128 N300 L467	C126-N238 PolarHBondContact O-ND2 3.1Å; L127-N238 CarbonylContact C-O 3.57Å; L127-N238 WeakPolarHBondContact CA-O 3.47Å; L127-N238 HydrophobicContact CD2-CB 3.58Å; G128-N238 PolarHBondContact N-O 3.42Å; N238-N300 PolarHBondContact OD1-ND2 2.86Å; N238-L467 HydrophobicContact CB-CB 4.33Å; N238-L467 HydrophobicContact CB-CD1 4.13Å; N238-L467 HydrophobicContact CB-CD2 4.17Å; N238-L467 HydrophobicContact CB-CG 4.46Å
239	L	89.8	Confident	74.5	Confident	2 Å²	2	17.8 Å²	17.8	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	131	-175.6	-67.7	-178.3	0	0	0	112.1	G128 F130 I177 M184 L231 I236 I299 N300 I301 V302	G128-L239 WeakPolarHBondContact O-CA 3.38Å; F130-L239 HydrophobicContact CE1-CB 4.41Å; F130-L239 HydrophobicContact CE1-CD1 4.29Å; I177-L239 HydrophobicContact CD1-CD2 3.92Å; M184-L239 HydrophobicContact CE-CD1 4.07Å; L231-L239 HydrophobicContact CD1-CD1 4Å; L231-L239 HydrophobicContact CD2-CD2 4.16Å; I236-L239 HydrophobicContact CG2-CD2 3.6Å; L239-I299 HydrophobicContact CD1-CD1 3.62Å; L239-I299 HydrophobicContact CD1-CG1 4.48Å; L239-I299 HydrophobicContact CG-CD1 4.05Å; L239-N300 PolarHBondContact N-O 2.91Å; L239-I301 HydrophobicContact CB-CG1 4.46Å; L239-I301 WeakPolarHBondContact O-CA 3.34Å; L239-V302 PolarHBondContact O-N 2.9Å
240	V	87.6	Confident	71.4	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122.5	158.6	176.4	0	0	0	0	109.1	G128 V129 F130 F163 V242 V302 L304 A463 L467	G128-V240 PolarHBondContact O-N 3.25Å; V129-V240 WeakPolarHBondContact CA-O 3.26Å; V129-V240 HydrophobicContact CB-CB 4.37Å; V129-V240 HydrophobicContact CG2-CB 3.93Å; V129-V240 HydrophobicContact CG2-CG1 4.09Å; F130-V240 WeakPolarHBondContact CD1-O 3.41Å; F130-V240 PolarHBondContact N-O 2.95Å; F163-V240 HydrophobicContact CD2-CB 4.37Å; F163-V240 HydrophobicContact CD2-CG2 3.77Å; F163-V240 HydrophobicContact CE2-CB 3.94Å; F163-V240 HydrophobicContact CE2-CG2 3.23Å; F163-V240 HydrophobicContact CZ-CB 4.28Å; F163-V240 HydrophobicContact CZ-CG2 3.94Å; V240-V242 HydrophobicContact CG1-CG2 3.75Å; V240-V302 WeakPolarHBondContact CA-O 3.46Å; V240-L304 HydrophobicContact CG1-CD1 3.97Å; V240-L304 HydrophobicContact CG1-CG 4.04Å; V240-A463 HydrophobicContact CG2-CB 4.02Å; V240-L467 HydrophobicContact CG2-CD1 3.48Å; V240-L467 VanDerWaalsContact CG2-CD1 3.48Å
241	C	84	Confident	68.1	Low	2 Å²	2	29.6 Å²	29.6	1%	0.014	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.4	172.7	-179.9	0	0	0	0	108.5	F130 L264 V302 G303 L304	F130-C241 HydrophobicContact CE1-CB 3.67Å; F130-C241 HydrophobicContact CE2-CB 4.17Å; F130-C241 VanDerWaalsContact CE2-SG 3.53Å; F130-C241 HydrophobicContact CZ-CB 3.47Å; F130-C241 VanDerWaalsContact CZ-CB 3.47Å; F130-C241 WeakPolarHBondContact CZ-SG 3.27Å; C241-L264 WeakPolarHBondContact SG-CD2 3.4Å; C241-V302 PolarHBondContact N-O 2.71Å; C241-G303 WeakPolarHBondContact O-CA 3.2Å; C241-L304 PolarHBondContact O-N 2.88Å
242	V	80.7	Confident	64.8	Low	1 Å²	1	36.4 Å²	36.4	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.8	173.9	-165.2	0	0	0	0	110.3	F130 T131 S132 V155 F159 V240 L304	F130-V242 PolarHBondContact O-N 3.12Å; F130-V242 VanDerWaalsContact O-N 3.11Å; T131-V242 WeakPolarHBondContact CA-O 3.4Å; S132-V242 PolarHBondContact N-O 2.77Å; V155-V242 HydrophobicContact CG1-CB 3.92Å; V155-V242 HydrophobicContact CG1-CG1 3.46Å; V155-V242 VanDerWaalsContact CG1-CG1 3.46Å; F159-V242 HydrophobicContact CD1-CG1 4.08Å; F159-V242 HydrophobicContact CD1-CG2 4.26Å; F159-V242 HydrophobicContact CD2-CG2 3.8Å; F159-V242 HydrophobicContact CE1-CB 3.83Å; F159-V242 HydrophobicContact CE1-CG1 3.56Å; F159-V242 HydrophobicContact CE1-CG2 3.78Å; F159-V242 HydrophobicContact CE2-CB 4.12Å; F159-V242 HydrophobicContact CE2-CG2 3.27Å; F159-V242 HydrophobicContact CG-CG2 4.29Å; F159-V242 HydrophobicContact CZ-CB 3.55Å; F159-V242 HydrophobicContact CZ-CG1 3.86Å; F159-V242 HydrophobicContact CZ-CG2 3.24Å; V240-V242 HydrophobicContact CG1-CG2 3.75Å; V242-L304 WeakPolarHBondContact CA-O 3.32Å; V242-L304 HydrophobicContact CB-CB 4.25Å; V242-L304 HydrophobicContact CG1-CB 3.85Å; V242-L304 HydrophobicContact CG2-CB 3.8Å; V242-L304 HydrophobicContact CG2-CD1 3.91Å; V242-L304 HydrophobicContact CG2-CG 4.19Å
243	G	70	Confident	61.7	Low	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172	171	-175.5	0	0	0	0	0	115	S132 F261 L304 G306	S132-G243 WeakPolarHBondContact O-CA 3.5Å; G243-F261 WeakPolarHBondContact O-CE2 3.38Å; G243-L304 PolarHBondContact N-O 3.1Å; G243-G306 CarbonylContact C-O 3.55Å; G243-G306 VanDerWaalsContact C-O 3.26Å; G243-G306 CarbonylContact O-C 3.57Å; G243-G306 PolarHBondContact O-N 3.3Å
244	G	60.3	Low	58.7	Low	1 Å²	1	48.9 Å²	48.9	1%	0.01	26%	0.256	C	S	.	.			trans	-122.4	-172.3	169.1	0	0	0	0	0	110.2	G246 G306	G244-G246 VanDerWaalsContact C-N 3.34Å; G244-G246 PolarHBondContact O-N 2.88Å; G244-G306 WeakPolarHBondContact CA-O 3.17Å; G244-G306 PolarHBondContact N-O 2.84Å; G244-G306 VanDerWaalsContact N-O 3.09Å
245	D	49.2	Very low	55.8	Low	16 Å²	16	50.9 Å²	50.9	9%	0.086	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	16.7	-163	88.9	-40.8	0	0	0	117.2	T260 F261 R353	D245-T260 CarbonylContact O-C 3.56Å; D245-T260 WeakPolarHBondContact O-CA 3.3Å; D245-T260 WeakPolarHBondContact O-CB 3.32Å; D245-T260 PolarHBondContact O-N 2.93Å; D245-T260 PolarHBondContact O-OG1 3.09Å; D245-F261 VanDerWaalsContact CA-CB 3.46Å; D245-F261 HydrophobicContact CB-CB 3.41Å; D245-F261 VanDerWaalsContact CB-CB 3.41Å; D245-F261 PolarHBondContact O-N 2.79Å; D245-R353 PolarHBondContact O-NH1 2.86Å; D245-R353 IonicContact OD1-CZ 2.68Å; D245-R353 IonicContact OD1-NE 3.61Å; D245-R353 PolarHBondContact OD1-NE 3.46Å; D245-R353 IonicContact OD1-NH1 3.88Å; D245-R353 PolarHBondContact OD1-NH1 3.31Å; D245-R353 IonicContact OD1-NH2 2.82Å; D245-R353 PolarHBondContact OD1-NH2 3.43Å; D245-R353 WeakPolarHBondContact OD2-CD 3.41Å; D245-R353 IonicContact OD2-CZ 3.15Å; D245-R353 IonicContact OD2-NE 3.56Å; D245-R353 PolarHBondContact OD2-NE 2.87Å; D245-R353 IonicContact OD2-NH1 3.43Å; D245-R353 PolarHBondContact OD2-NH1 2.97Å; D245-R353 IonicContact OD2-NH2 3.87Å
246	G	40.3	Very low	53	Low	5 Å²	5	55.7 Å²	55.7	5%	0.052	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-0.3	-160.5	0	0	0	0	0	120.3	G244 L248	G244-G246 VanDerWaalsContact C-N 3.34Å; G244-G246 PolarHBondContact O-N 2.88Å; G246-L248 PolarHBondContact O-N 2.94Å; G246-L248 VanDerWaalsContact O-N 3.12Å
247	S	33.6	Very low	49.9	Very low	5 Å²	5	59.2 Å²	59.2	4%	0.035	33%	0.329	C	S	.	.	S	Bend	trans	-69.3	-6.8	-160.2	-41.2	0	0	0	0	118.6	G133 R214 T260 L264	G133-S247 WeakPolarHBondContact CA-OG 3.22Å; G133-S247 PolarHBondContact N-OG 2.89Å; G133-S247 VanDerWaalsContact N-OG 3.16Å; R214-S247 WeakPolarHBondContact CD-O 3.41Å; R214-S247 WeakPolarHBondContact CG-O 3.31Å; S247-T260 VanDerWaalsContact N-CB 3.3Å; S247-L264 WeakPolarHBondContact OG-CD1 3.41Å
248	L	26.5	Very low	47.5	Very low	36 Å²	36	64 Å²	64	19%	0.188	35%	0.345	C	S	.	.			trans	-157.3	101.1	-169.2	-71.6	164.9	0	0	0	111.6	R214 G246 T260 I263	R214-L248 HydrophobicContact CB-CD2 4.39Å; G246-L248 PolarHBondContact O-N 2.94Å; G246-L248 VanDerWaalsContact O-N 3.12Å; L248-T260 HydrophobicContact CB-CG2 3.6Å; L248-T260 HydrophobicContact CD1-CG2 4.31Å; L248-T260 HydrophobicContact CG-CG2 4.16Å; L248-T260 VanDerWaalsContact N-CG2 3.27Å; L248-I263 HydrophobicContact CD1-CG2 3.89Å
249	T	26.4	Very low	45.2	Very low	49 Å²	49	66.4 Å²	66.4	30%	0.301	36%	0.355	S	S	.	.			trans	-144.2	124	156.4	-18.6	0	0	0	0	107.5	R151 R214	R151-T249 PolarHBondContact NH1-OG1 2.65Å; R151-T249 VanDerWaalsContact NH1-OG1 3.14Å; R214-T249 PolarHBondContact NH1-O 3.5Å
250	A	27	Very low	42.9	Very low	86 Å²	86	66.4 Å²	66.4	71%	0.711	36%	0.356	S	S	*	.			trans	-141.5	140.2	171.8	0	0	0	0	0	105.7	D252	A250-D252 VanDerWaalsContact C-N 3.32Å; A250-D252 PolarHBondContact O-N 3.27Å
251	K	24.8	Very low	40.6	Very low	200 Å²	200	66.7 Å²	66.7	87%	0.87	36%	0.357	S	S	*	.	S	Bend	trans	-85.6	3.3	-145.2	-145.2	178.2	179.7	-175.3	0	115.6
252	D	25.3	Very low	38.7	Very low	143 Å²	143	66.8 Å²	66.8	77%	0.765	36%	0.358	S	S	*	.			trans	-130.7	76.2	-160	-49.2	-67.2	0	0	0	112.7	A250	A250-D252 VanDerWaalsContact C-N 3.32Å; A250-D252 PolarHBondContact O-N 3.27Å
253	F	26.2	Very low	37.1	Very low	199 Å²	199	70 Å²	70	87%	0.873	37%	0.374	S	S	*	.	S	Bend	trans	-173.3	161.1	143.4	-126.6	-110.3	0	0	0	111.4	V255	F253-V255 VanDerWaalsContact C-N 3.28Å; F253-V255 PolarHBondContact O-N 3.16Å
254	L	26.9	Very low	36.1	Very low	176 Å²	176	70.4 Å²	70.4	92%	0.921	38%	0.376	S	S	*	.	S	Bend	trans	-69.5	66.3	-176.1	-79.9	152.9	0	0	0	114.3
255	V	29.8	Very low	35.8	Very low	115 Å²	115	70.5 Å²	70.5	70%	0.697	38%	0.376	S	S	*	.	S	Bend	trans	-139.6	133.8	170.5	-169.1	0	0	0	0	109	F253	F253-V255 VanDerWaalsContact C-N 3.28Å; F253-V255 PolarHBondContact O-N 3.16Å
256	P	31.6	Very low	36.3	Very low	113 Å²	113	72.1 Å²	72.1	73%	0.734	38%	0.384	S	S	*	.			trans	-55.4	143.2	-177.8	-28	36	0	0	0	114.4	W258	P256-W258 PolarHBondContact O-N 3.28Å
257	S	26.9	Very low	37.4	Very low	73 Å²	73	72.8 Å²	72.8	51%	0.51	39%	0.391	S	S	.	.	S	Bend	trans	-67.5	15.8	-157.8	-175.1	0	0	0	0	118.4
258	W	39.6	Very low	39.1	Very low	119 Å²	119	72.7 Å²	72.7	45%	0.451	39%	0.391	S	S	.	.			trans	-129.4	158.2	-153.2	-46	110.1	0	0	0	115.4	P256 H354 Q502	P256-W258 PolarHBondContact O-N 3.28Å; W258-H354 AromaticContact CE3-NE2 3.79Å; W258-H354 AromaticContact CZ3-CE1 3.79Å; W258-H354 AromaticContact CZ3-NE2 3.34Å; W258-H354 VanDerWaalsContact CZ3-NE2 3.34Å; W258-H354 WeakPolarHBondContact CZ3-NE2 3.33Å; W258-Q502 VanDerWaalsContact CB-NE2 3.28Å
259	F	42.5	Very low	41.5	Very low	53 Å²	53	71.5 Å²	71.5	23%	0.232	39%	0.385	C	S	.	.			trans	75.4	137.2	-169.3	-69	-77	0	0	0	117.5	T262 I263 T498 K499 Q502	F259-T262 HydrophobicContact CB-CG2 4.38Å; F259-T262 HydrophobicContact CD1-CG2 3.9Å; F259-T262 WeakPolarHBondContact CD1-OG1 3.28Å; F259-T262 HydrophobicContact CG-CG2 4.06Å; F259-I263 HydrophobicContact CB-CD1 4.41Å; F259-I263 HydrophobicContact CB-CG1 4.02Å; F259-I263 WeakPolarHBondContact O-CD1 3.24Å; F259-T498 HydrophobicContact CE1-CG2 4.3Å; F259-K499 HydrophobicContact CE1-CG 4.06Å; F259-K499 HydrophobicContact CE2-CG 3.96Å; F259-K499 HydrophobicContact CZ-CB 4.2Å; F259-K499 HydrophobicContact CZ-CG 3.59Å; F259-Q502 HydrophobicContact CZ-CB 4.36Å; F259-Q502 VanDerWaalsContact CZ-OE1 3.26Å
260	T	41.3	Very low	43.9	Very low	3 Å²	3	71 Å²	71	2%	0.018	38%	0.382	C	S	.	.	S	Bend	trans	-141.8	-11.4	146.3	-16.2	0	0	0	0	118.8	D245 S247 L248 I263 L264	D245-T260 CarbonylContact O-C 3.56Å; D245-T260 WeakPolarHBondContact O-CA 3.3Å; D245-T260 WeakPolarHBondContact O-CB 3.32Å; D245-T260 PolarHBondContact O-N 2.93Å; D245-T260 PolarHBondContact O-OG1 3.09Å; S247-T260 VanDerWaalsContact N-CB 3.3Å; L248-T260 HydrophobicContact CB-CG2 3.6Å; L248-T260 HydrophobicContact CD1-CG2 4.31Å; L248-T260 HydrophobicContact CG-CG2 4.16Å; L248-T260 VanDerWaalsContact N-CG2 3.27Å; T260-I263 HydrophobicContact CG2-CB 3.9Å; T260-I263 HydrophobicContact CG2-CD1 4.37Å; T260-I263 HydrophobicContact CG2-CG1 4.47Å; T260-I263 HydrophobicContact CG2-CG2 4.42Å; T260-I263 PolarHBondContact O-N 3.16Å; T260-L264 WeakPolarHBondContact O-CB 3.26Å; T260-L264 PolarHBondContact O-N 2.9Å
261	F	39.8	Very low	46.6	Very low	6 Å²	6	67 Å²	67	3%	0.026	35%	0.348	C	S	.	.	H	α-helix	trans	-74.2	-47.4	171.8	-168.3	-136.4	0	0	0	108.6	G243 D245 I263 L264 I265 V305 F312	G243-F261 WeakPolarHBondContact O-CE2 3.38Å; D245-F261 VanDerWaalsContact CA-CB 3.46Å; D245-F261 HydrophobicContact CB-CB 3.41Å; D245-F261 VanDerWaalsContact CB-CB 3.41Å; D245-F261 PolarHBondContact O-N 2.79Å; F261-I263 PolarHBondContact O-N 2.96Å; F261-L264 HydrophobicContact CD2-CB 4.47Å; F261-L264 HydrophobicContact CD2-CD2 4.22Å; F261-L264 HydrophobicContact CE2-CD2 4.29Å; F261-L264 WeakPolarHBondContact O-CA 3.4Å; F261-L264 WeakPolarHBondContact O-CB 3.37Å; F261-L264 PolarHBondContact O-N 2.93Å; F261-I265 HydrophobicContact CD1-CD1 3.92Å; F261-I265 HydrophobicContact CD2-CD1 4.11Å; F261-I265 HydrophobicContact CE1-CD1 3.38Å; F261-I265 HydrophobicContact CE2-CD1 3.56Å; F261-I265 HydrophobicContact CE2-CG1 4.35Å; F261-I265 HydrophobicContact CG-CD1 4.26Å; F261-I265 HydrophobicContact CZ-CD1 3.17Å; F261-I265 HydrophobicContact CZ-CG1 4.37Å; F261-I265 WeakPolarHBondContact O-CB 3.46Å; F261-I265 PolarHBondContact O-N 3.48Å; F261-V305 HydrophobicContact CD1-CG1 4.4Å; F261-V305 HydrophobicContact CE1-CB 4.23Å; F261-V305 HydrophobicContact CE1-CG1 3.66Å; F261-V305 HydrophobicContact CE1-CG2 3.81Å; F261-V305 HydrophobicContact CE2-CG1 4.48Å; F261-V305 HydrophobicContact CZ-CB 3.99Å; F261-V305 HydrophobicContact CZ-CG1 3.71Å; F261-V305 HydrophobicContact CZ-CG2 3.79Å; F261-F312 HydrophobicContact CD1-CB 4.48Å; F261-F312 AromaticContact CD1-CD2 3.33Å; F261-F312 HydrophobicContact CD1-CD2 3.33Å; F261-F312 AromaticContact CD1-CE2 3.49Å; F261-F312 HydrophobicContact CD1-CE2 3.49Å; F261-F312 VanDerWaalsContact CD1-CE2 3.49Å; F261-F312 AromaticContact CD1-CG 3.94Å; F261-F312 HydrophobicContact CD1-CG 3.94Å; F261-F312 HydrophobicContact CD1-CZ 4.24Å; F261-F312 HydrophobicContact CE1-CB 4.46Å; F261-F312 HydrophobicContact CE1-CD1 4.08Å; F261-F312 AromaticContact CE1-CD2 3.5Å; F261-F312 HydrophobicContact CE1-CD2 3.5Å; F261-F312 HydrophobicContact CE1-CE1 4.09Å; F261-F312 AromaticContact CE1-CE2 3.5Å; F261-F312 HydrophobicContact CE1-CE2 3.5Å; F261-F312 VanDerWaalsContact CE1-CE2 3.5Å; F261-F312 AromaticContact CE1-CG 3.76Å; F261-F312 HydrophobicContact CE1-CG 3.76Å; F261-F312 AromaticContact CE1-CZ 3.77Å; F261-F312 HydrophobicContact CE1-CZ 3.77Å
262	T	43.9	Very low	49.4	Very low	4 Å²	4	58.8 Å²	58.8	3%	0.025	31%	0.312	C	S	.	.	H	α-helix	trans	-51.4	-38.4	167	-62.3	0	0	0	0	112.9	F259 I266 V495	F259-T262 HydrophobicContact CB-CG2 4.38Å; F259-T262 HydrophobicContact CD1-CG2 3.9Å; F259-T262 WeakPolarHBondContact CD1-OG1 3.28Å; F259-T262 HydrophobicContact CG-CG2 4.06Å; T262-I266 HydrophobicContact CG2-CD1 3.46Å; T262-I266 VanDerWaalsContact CG2-CD1 3.46Å; T262-I266 HydrophobicContact CG2-CG1 4.19Å; T262-I266 WeakPolarHBondContact O-CA 3.43Å; T262-I266 WeakPolarHBondContact O-CB 3.39Å; T262-I266 WeakPolarHBondContact O-CD1 3.21Å; T262-I266 WeakPolarHBondContact O-CG1 3.46Å; T262-I266 PolarHBondContact O-N 2.95Å; T262-V495 HydrophobicContact CG2-CG1 3.55Å
263	I	47.2	Very low	52.2	Low	69 Å²	69	58.5 Å²	58.5	35%	0.354	31%	0.305	S	S	.	.	H	α-helix	trans	-72.1	-37.2	175.4	-60.1	-174.5	0	0	0	111.4	L248 F259 T260 F261 G267	L248-I263 HydrophobicContact CD1-CG2 3.89Å; F259-I263 HydrophobicContact CB-CD1 4.41Å; F259-I263 HydrophobicContact CB-CG1 4.02Å; F259-I263 WeakPolarHBondContact O-CD1 3.24Å; T260-I263 HydrophobicContact CG2-CB 3.9Å; T260-I263 HydrophobicContact CG2-CD1 4.37Å; T260-I263 HydrophobicContact CG2-CG1 4.47Å; T260-I263 HydrophobicContact CG2-CG2 4.42Å; T260-I263 PolarHBondContact O-N 3.16Å; F261-I263 PolarHBondContact O-N 2.96Å; I263-G267 WeakPolarHBondContact O-CA 3.49Å; I263-G267 PolarHBondContact O-N 3.5Å
264	L	49.6	Very low	55.1	Low	7 Å²	7	51.5 Å²	51.5	4%	0.037	28%	0.276	C	S	.	.	H	α-helix	trans	-57.8	-53.7	174	-145.9	97	0	0	0	111.4	S132 Y181 C241 S247 T260 F261 G267 A268	S132-L264 WeakPolarHBondContact O-CD1 3.5Å; S132-L264 WeakPolarHBondContact O-CD2 3.35Å; S132-L264 WeakPolarHBondContact OG-CD1 3.26Å; Y181-L264 HydrophobicContact CE2-CD1 4.4Å; Y181-L264 HydrophobicContact CE2-CG 4.13Å; Y181-L264 PolarHBondContact OH-O 2.8Å; C241-L264 WeakPolarHBondContact SG-CD2 3.4Å; S247-L264 WeakPolarHBondContact OG-CD1 3.41Å; T260-L264 WeakPolarHBondContact O-CB 3.26Å; T260-L264 PolarHBondContact O-N 2.9Å; F261-L264 HydrophobicContact CD2-CB 4.47Å; F261-L264 HydrophobicContact CD2-CD2 4.22Å; F261-L264 HydrophobicContact CE2-CD2 4.29Å; F261-L264 WeakPolarHBondContact O-CA 3.4Å; F261-L264 WeakPolarHBondContact O-CB 3.37Å; F261-L264 PolarHBondContact O-N 2.93Å; L264-G267 CarbonylContact O-C 3.46Å; L264-G267 WeakPolarHBondContact O-CA 3.44Å; L264-G267 PolarHBondContact O-N 3.09Å; L264-A268 PolarHBondContact O-N 2.98Å
265	I	54.3	Low	58	Low	3 Å²	3	43.2 Å²	43.2	2%	0.015	23%	0.232	C	C	.	.	H	α-helix	trans	-80	-34.4	-171	-97.1	170	0	0	0	111.7	F261 G267 A268 N269 V478 L491 V495	F261-I265 HydrophobicContact CD1-CD1 3.92Å; F261-I265 HydrophobicContact CD2-CD1 4.11Å; F261-I265 HydrophobicContact CE1-CD1 3.38Å; F261-I265 HydrophobicContact CE2-CD1 3.56Å; F261-I265 HydrophobicContact CE2-CG1 4.35Å; F261-I265 HydrophobicContact CG-CD1 4.26Å; F261-I265 HydrophobicContact CZ-CD1 3.17Å; F261-I265 HydrophobicContact CZ-CG1 4.37Å; F261-I265 WeakPolarHBondContact O-CB 3.46Å; F261-I265 PolarHBondContact O-N 3.48Å; I265-G267 VanDerWaalsContact C-N 3.32Å; I265-A268 PolarHBondContact O-N 3.17Å; I265-N269 WeakPolarHBondContact O-CB 3.41Å; I265-N269 PolarHBondContact O-N 2.95Å; I265-V478 HydrophobicContact CD1-CG2 4.41Å; I265-L491 HydrophobicContact CB-CD1 4.1Å; I265-L491 HydrophobicContact CD1-CD1 3.61Å; I265-L491 HydrophobicContact CG1-CD1 3.76Å; I265-L491 HydrophobicContact CG2-CD1 3.36Å; I265-L491 HydrophobicContact CG2-CD2 3.88Å; I265-L491 HydrophobicContact CG2-CG 3.55Å; I265-V495 HydrophobicContact CG2-CG2 3.53Å
266	I	58.8	Low	60.9	Low	50 Å²	50	40.4 Å²	40.4	26%	0.256	22%	0.216	S	C	.	.	H	α-helix	trans	-64.8	-41.2	164.2	-68.9	173.2	0	0	0	108.9	T262 A268 N269 T270 V495	T262-I266 HydrophobicContact CG2-CD1 3.46Å; T262-I266 VanDerWaalsContact CG2-CD1 3.46Å; T262-I266 HydrophobicContact CG2-CG1 4.19Å; T262-I266 WeakPolarHBondContact O-CA 3.43Å; T262-I266 WeakPolarHBondContact O-CB 3.39Å; T262-I266 WeakPolarHBondContact O-CD1 3.21Å; T262-I266 WeakPolarHBondContact O-CG1 3.46Å; T262-I266 PolarHBondContact O-N 2.95Å; I266-A268 VanDerWaalsContact C-N 3.29Å; I266-A268 PolarHBondContact O-N 2.92Å; I266-N269 PolarHBondContact O-N 3.45Å; I266-T270 WeakPolarHBondContact CG2-OG1 3.42Å; I266-T270 WeakPolarHBondContact O-CA 3.47Å; I266-T270 WeakPolarHBondContact O-CB 3.25Å; I266-T270 PolarHBondContact O-N 3.15Å; I266-T270 PolarHBondContact O-OG1 3.4Å; I266-V495 HydrophobicContact CD1-CG1 4.34Å
267	G	64.1	Low	63.7	Low	19 Å²	19	37.7 Å²	37.7	20%	0.196	20%	0.2	C	C	.	.	H	α-helix	trans	-54.1	-46.4	174.3	0	0	0	0	0	112.1	I263 L264 I265 F271	I263-G267 WeakPolarHBondContact O-CA 3.49Å; I263-G267 PolarHBondContact O-N 3.5Å; L264-G267 CarbonylContact O-C 3.46Å; L264-G267 WeakPolarHBondContact O-CA 3.44Å; L264-G267 PolarHBondContact O-N 3.09Å; I265-G267 VanDerWaalsContact C-N 3.32Å; G267-F271 WeakPolarHBondContact O-CB 3.36Å; G267-F271 PolarHBondContact O-N 3.02Å
268	A	69.2	Low	66.7	Low	3 Å²	3	34.4 Å²	34.4	3%	0.025	18%	0.177	C	C	.	.	H	α-helix	trans	-64.5	-48.7	173.7	0	0	0	0	0	112.7	Y181 L264 I265 I266 F271 R272 I301	Y181-A268 PolarHBondContact OH-N 2.9Å; L264-A268 PolarHBondContact O-N 2.98Å; I265-A268 PolarHBondContact O-N 3.17Å; I266-A268 VanDerWaalsContact C-N 3.29Å; I266-A268 PolarHBondContact O-N 2.92Å; A268-F271 WeakPolarHBondContact O-CB 3.34Å; A268-F271 PolarHBondContact O-N 3.14Å; A268-R272 PolarHBondContact O-N 3.13Å; A268-I301 HydrophobicContact CB-CD1 4.04Å; A268-I301 HydrophobicContact CB-CG2 4.02Å; A268-I301 WeakPolarHBondContact O-CD1 3.49Å
269	N	75.5	Confident	69.1	Low	11 Å²	11	29.2 Å²	29.2	6%	0.059	16%	0.158	C	C	.	.	H	α-helix	trans	-66.5	-41.1	-179.3	-173.8	53.8	0	0	0	113	I265 I266 F271 R272 H273 P476 L491	I265-N269 WeakPolarHBondContact O-CB 3.41Å; I265-N269 PolarHBondContact O-N 2.95Å; I266-N269 PolarHBondContact O-N 3.45Å; N269-F271 VanDerWaalsContact C-N 3.33Å; N269-R272 WeakPolarHBondContact O-CB 3.34Å; N269-R272 PolarHBondContact O-N 2.95Å; N269-H273 PolarHBondContact ND2-CD2 3.12Å; N269-H273 VanDerWaalsContact ND2-CD2 3.25Å; N269-H273 PolarHBondContact ND2-NE2 3.47Å; N269-H273 PolarHBondContact O-CD2 2.8Å; N269-H273 PolarHBondContact O-N 2.78Å; N269-H273 PolarHBondContact OD1-NE2 2.8Å; N269-P476 VanDerWaalsContact OD1-CG 3.25Å; N269-P476 WeakPolarHBondContact OD1-CG 3.49Å; N269-L491 HydrophobicContact CB-CD2 4.12Å
270	T	78.7	Confident	71.4	Confident	40 Å²	40	32.5 Å²	32.5	25%	0.245	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-42.9	171.4	-65.2	0	0	0	0	110.3	R224 I266 R272 H273 E274	R224-T270 VanDerWaalsContact NH1-CG2 3.34Å; I266-T270 WeakPolarHBondContact CG2-OG1 3.42Å; I266-T270 WeakPolarHBondContact O-CA 3.47Å; I266-T270 WeakPolarHBondContact O-CB 3.25Å; I266-T270 PolarHBondContact O-N 3.15Å; I266-T270 PolarHBondContact O-OG1 3.4Å; T270-R272 VanDerWaalsContact C-N 3.29Å; T270-R272 PolarHBondContact O-N 2.94Å; T270-H273 PolarHBondContact O-N 3.34Å; T270-E274 HydrophobicContact CG2-CG 4.21Å; T270-E274 VanDerWaalsContact CG2-OE1 3.29Å; T270-E274 WeakPolarHBondContact CG2-OE1 3.4Å; T270-E274 WeakPolarHBondContact O-CB 3.38Å; T270-E274 WeakPolarHBondContact O-CG 3.34Å; T270-E274 PolarHBondContact O-N 3.46Å
271	F	82.8	Confident	73.7	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.009	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-36.2	174.1	-173.7	-119	0	0	0	112.5	M184 F218 R224 A227 A228 L231 G267 A268 N269 W275 L278 I299	M184-F271 HydrophobicContact SD-CE1 4.43Å; F218-F271 HydrophobicContact CE2-CD2 4.13Å; F218-F271 HydrophobicContact CE2-CE2 4.09Å; F218-F271 HydrophobicContact CE2-CG 4.45Å; F218-F271 HydrophobicContact CE2-CZ 4.38Å; F218-F271 HydrophobicContact CZ-CB 4.03Å; F218-F271 HydrophobicContact CZ-CD1 4.19Å; F218-F271 AromaticContact CZ-CD2 3.75Å; F218-F271 HydrophobicContact CZ-CD2 3.75Å; F218-F271 HydrophobicContact CZ-CE2 4.17Å; F218-F271 AromaticContact CZ-CG 3.75Å; F218-F271 HydrophobicContact CZ-CG 3.75Å; R224-F271 HydrophobicContact CB-CD2 4.09Å; R224-F271 HydrophobicContact CB-CE2 4.15Å; R224-F271 HydrophobicContact CG-CD2 4.31Å; R224-F271 WeakPolarHBondContact O-CE2 3.37Å; A227-F271 HydrophobicContact CB-CE2 4.43Å; A227-F271 HydrophobicContact CB-CZ 4.25Å; A228-F271 HydrophobicContact CB-CE2 4.22Å; A228-F271 HydrophobicContact CB-CZ 4.1Å; L231-F271 HydrophobicContact CD1-CE1 3.78Å; L231-F271 HydrophobicContact CD1-CZ 4.04Å; G267-F271 WeakPolarHBondContact O-CB 3.36Å; G267-F271 PolarHBondContact O-N 3.02Å; A268-F271 WeakPolarHBondContact O-CB 3.34Å; A268-F271 PolarHBondContact O-N 3.14Å; N269-F271 VanDerWaalsContact C-N 3.33Å; F271-W275 HydrophobicContact CE1-CE3 4.01Å; F271-W275 AromaticContact CE1-CZ3 3.79Å; F271-W275 HydrophobicContact CE1-CZ3 3.79Å; F271-W275 HydrophobicContact CE2-CE3 4.46Å; F271-W275 HydrophobicContact CE2-CZ3 4.47Å; F271-W275 AromaticContact CZ-CE3 3.97Å; F271-W275 HydrophobicContact CZ-CE3 3.97Å; F271-W275 AromaticContact CZ-CZ3 3.64Å; F271-W275 HydrophobicContact CZ-CZ3 3.64Å; F271-W275 PolarHBondContact O-N 2.85Å; F271-L278 HydrophobicContact CD2-CD1 3.81Å; F271-L278 HydrophobicContact CE2-CD1 3.64Å; F271-I299 HydrophobicContact CD1-CD1 4.2Å; F271-I299 HydrophobicContact CE1-CD1 3.81Å
272	R	83.3	Confident	76.2	Confident	27 Å²	27	35.6 Å²	35.6	10%	0.102	19%	0.188	C	C	.	.	H	α-helix	trans	-65.7	-46.8	170.7	176.6	175.8	176.6	-172.7	-3.3	112.8	A268 N269 T270 E274 W275 I299 I301 P472 T474	A268-R272 PolarHBondContact O-N 3.13Å; N269-R272 WeakPolarHBondContact O-CB 3.34Å; N269-R272 PolarHBondContact O-N 2.95Å; T270-R272 VanDerWaalsContact C-N 3.29Å; T270-R272 PolarHBondContact O-N 2.94Å; R272-E274 VanDerWaalsContact C-N 3.33Å; R272-E274 PolarHBondContact O-N 3.43Å; R272-W275 VanDerWaalsContact O-CB 3.26Å; R272-W275 WeakPolarHBondContact O-CB 3.43Å; R272-W275 PolarHBondContact O-N 2.81Å; R272-I299 HydrophobicContact CB-CG2 3.92Å; R272-I299 VanDerWaalsContact CD-O 3.26Å; R272-I299 WeakPolarHBondContact CD-O 3.22Å; R272-I299 HydrophobicContact CG-CG2 4.09Å; R272-I299 WeakPolarHBondContact CG-O 3.37Å; R272-I299 PolarHBondContact NE-O 3.29Å; R272-I301 HydrophobicContact CB-CD1 3.91Å; R272-P472 PolarHBondContact NH2-O 3.01Å; R272-T474 PolarHBondContact NH1-O 2.8Å; R272-T474 PolarHBondContact NH2-O 2.9Å
273	H	84.2	Confident	78.4	Confident	136 Å²	136	37.9 Å²	37.9	63%	0.63	20%	0.202	S	C	*	.	H	α-helix	trans	-65.9	-35.2	178.5	-72.9	-60.6	0	0	0	112.8	N269 T270 W275	N269-H273 PolarHBondContact ND2-CD2 3.12Å; N269-H273 VanDerWaalsContact ND2-CD2 3.25Å; N269-H273 PolarHBondContact ND2-NE2 3.47Å; N269-H273 PolarHBondContact O-CD2 2.8Å; N269-H273 PolarHBondContact O-N 2.78Å; N269-H273 PolarHBondContact OD1-NE2 2.8Å; T270-H273 PolarHBondContact O-N 3.34Å; H273-W275 VanDerWaalsContact C-N 3.33Å
274	E	87.4	Confident	80.4	Confident	53 Å²	53	42.2 Å²	42.2	25%	0.248	22%	0.221	C	C	.	.	H	α-helix	trans	-78.1	-16.6	176.3	-70.9	177.2	-175.2	0	0	113	R224 T270 R272 S277 L278	R224-E274 VanDerWaalsContact CZ-CD 3.4Å; R224-E274 IonicContact CZ-OE1 3.13Å; R224-E274 IonicContact CZ-OE2 2.85Å; R224-E274 IonicContact NE-OE2 3.39Å; R224-E274 PolarHBondContact NE-OE2 3.05Å; R224-E274 IonicContact NH1-OE1 3.17Å; R224-E274 PolarHBondContact NH1-OE1 2.97Å; R224-E274 IonicContact NH1-OE2 3.36Å; R224-E274 PolarHBondContact NH1-OE2 2.9Å; R224-E274 VanDerWaalsContact NH2-CD 3.3Å; R224-E274 IonicContact NH2-OE1 2.85Å; R224-E274 PolarHBondContact NH2-OE1 3.15Å; R224-E274 IonicContact NH2-OE2 2.98Å; R224-E274 PolarHBondContact NH2-OE2 3.46Å; T270-E274 HydrophobicContact CG2-CG 4.21Å; T270-E274 VanDerWaalsContact CG2-OE1 3.29Å; T270-E274 WeakPolarHBondContact CG2-OE1 3.4Å; T270-E274 WeakPolarHBondContact O-CB 3.38Å; T270-E274 WeakPolarHBondContact O-CG 3.34Å; T270-E274 PolarHBondContact O-N 3.46Å; R272-E274 VanDerWaalsContact C-N 3.33Å; R272-E274 PolarHBondContact O-N 3.43Å; E274-S277 CarbonylContact O-C 3.53Å; E274-S277 WeakPolarHBondContact O-CA 3.11Å; E274-S277 WeakPolarHBondContact O-CB 3.47Å; E274-S277 PolarHBondContact O-N 3.48Å; E274-L278 HydrophobicContact CB-CD1 4.27Å; E274-L278 HydrophobicContact CB-CG 4.27Å; E274-L278 WeakPolarHBondContact O-CG 3.06Å; E274-L278 PolarHBondContact O-N 3.05Å
275	W	88.4	Confident	82.3	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	25%	0.25	C	C	.	.	H	α-helix	trans	-48.9	-47.6	-173.7	-172.2	-97.8	0	0	0	114.1	A228 L231 L232 F271 R272 H273 S277 L278 L279 F296 I299	A228-W275 HydrophobicContact CB-CE3 4.2Å; A228-W275 HydrophobicContact CB-CH2 4.21Å; A228-W275 HydrophobicContact CB-CZ3 3.64Å; L231-W275 HydrophobicContact CB-CH2 4.37Å; L231-W275 HydrophobicContact CD1-CH2 4.44Å; L231-W275 HydrophobicContact CD1-CZ3 4.27Å; L232-W275 HydrophobicContact CD1-CH2 4.47Å; L232-W275 HydrophobicContact CD1-CZ2 4.39Å; L232-W275 HydrophobicContact CD2-CH2 4.4Å; L232-W275 HydrophobicContact CD2-CZ2 3.91Å; L232-W275 HydrophobicContact CG-CH2 4.1Å; L232-W275 HydrophobicContact CG-CZ2 4.08Å; F271-W275 HydrophobicContact CE1-CE3 4.01Å; F271-W275 AromaticContact CE1-CZ3 3.79Å; F271-W275 HydrophobicContact CE1-CZ3 3.79Å; F271-W275 HydrophobicContact CE2-CE3 4.46Å; F271-W275 HydrophobicContact CE2-CZ3 4.47Å; F271-W275 AromaticContact CZ-CE3 3.97Å; F271-W275 HydrophobicContact CZ-CE3 3.97Å; F271-W275 AromaticContact CZ-CZ3 3.64Å; F271-W275 HydrophobicContact CZ-CZ3 3.64Å; F271-W275 PolarHBondContact O-N 2.85Å; R272-W275 VanDerWaalsContact O-CB 3.26Å; R272-W275 WeakPolarHBondContact O-CB 3.43Å; R272-W275 PolarHBondContact O-N 2.81Å; H273-W275 VanDerWaalsContact C-N 3.33Å; W275-S277 VanDerWaalsContact C-N 3.29Å; W275-S277 PolarHBondContact O-N 3.15Å; W275-L278 PolarHBondContact O-N 2.84Å; W275-L279 WeakPolarHBondContact O-CG 3.47Å; W275-L279 PolarHBondContact O-N 2.73Å; W275-F296 PolarHBondContact NE1-O 3.26Å; W275-I299 HydrophobicContact CB-CG2 3.79Å; W275-I299 HydrophobicContact CD2-CB 3.76Å; W275-I299 HydrophobicContact CD2-CD1 4.43Å; W275-I299 HydrophobicContact CD2-CG2 3.7Å; W275-I299 HydrophobicContact CE3-CB 4.07Å; W275-I299 HydrophobicContact CE3-CD1 3.9Å; W275-I299 HydrophobicContact CE3-CG2 3.88Å; W275-I299 HydrophobicContact CG-CB 4.03Å; W275-I299 HydrophobicContact CG-CG2 3.68Å; W275-I299 HydrophobicContact CH2-CD1 4.02Å; W275-I299 HydrophobicContact CZ2-CB 4.4Å; W275-I299 HydrophobicContact CZ3-CD1 3.68Å
276	P	89.4	Confident	83.8	Confident	57 Å²	57	51.9 Å²	51.9	37%	0.37	28%	0.281	S	S	.	.	H	α-helix	trans	-63.3	-33.1	177.5	-21.6	35.3	0	0	0	113.4	Q280	P276-Q280 WeakPolarHBondContact O-CG 3.4Å; P276-Q280 PolarHBondContact O-N 3.38Å
277	S	91	Very high	85.1	Confident	55 Å²	55	51.8 Å²	51.8	39%	0.385	28%	0.284	S	S	.	.	H	α-helix	trans	-72.9	-39.2	175.2	-176.3	0	0	0	0	111.9	E274 W275 Q280 Q281	E274-S277 CarbonylContact O-C 3.53Å; E274-S277 WeakPolarHBondContact O-CA 3.11Å; E274-S277 WeakPolarHBondContact O-CB 3.47Å; E274-S277 PolarHBondContact O-N 3.48Å; W275-S277 VanDerWaalsContact C-N 3.29Å; W275-S277 PolarHBondContact O-N 3.15Å; S277-Q280 PolarHBondContact O-N 2.94Å; S277-Q281 WeakPolarHBondContact O-CG 3.36Å; S277-Q281 PolarHBondContact O-N 2.86Å; S277-Q281 PolarHBondContact O-NE2 3.21Å; S277-Q281 PolarHBondContact OG-NE2 3.4Å
278	L	90.6	Very high	86.2	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-63.5	-41.4	174.7	-63.4	175.9	0	0	0	110.9	R224 L225 A228 F271 E274 W275 Q280 Q281 L282	R224-L278 HydrophobicContact CB-CD1 4.33Å; L225-L278 HydrophobicContact CB-CD2 4.2Å; L225-L278 HydrophobicContact CD1-CB 4.32Å; L225-L278 HydrophobicContact CD1-CD2 3.95Å; A228-L278 HydrophobicContact CB-CB 4.29Å; A228-L278 HydrophobicContact CB-CD1 4.22Å; F271-L278 HydrophobicContact CD2-CD1 3.81Å; F271-L278 HydrophobicContact CE2-CD1 3.64Å; E274-L278 HydrophobicContact CB-CD1 4.27Å; E274-L278 HydrophobicContact CB-CG 4.27Å; E274-L278 WeakPolarHBondContact O-CG 3.06Å; E274-L278 PolarHBondContact O-N 3.05Å; W275-L278 PolarHBondContact O-N 2.84Å; L278-Q280 PolarHBondContact O-N 2.62Å; L278-Q281 PolarHBondContact O-N 3.1Å; L278-L282 VanDerWaalsContact O-CG 3.31Å; L278-L282 WeakPolarHBondContact O-CG 3.09Å; L278-L282 PolarHBondContact O-N 3.15Å
279	L	90.1	Very high	87.1	Confident	11 Å²	11	55.3 Å²	55.3	6%	0.058	30%	0.302	C	S	.	.	H	α-helix	trans	-58.3	-47.3	173.2	-70.2	176.3	0	0	0	112.2	L232 W275 Q281 L282 V283 I288 A293 F296	L232-L279 HydrophobicContact CD1-CD2 3.6Å; L232-L279 HydrophobicContact CD2-CD2 4.32Å; W275-L279 WeakPolarHBondContact O-CG 3.47Å; W275-L279 PolarHBondContact O-N 2.73Å; L279-Q281 VanDerWaalsContact C-N 3.32Å; L279-Q281 PolarHBondContact O-N 2.61Å; L279-L282 PolarHBondContact O-N 2.92Å; L279-V283 WeakPolarHBondContact O-CG2 3.21Å; L279-V283 PolarHBondContact O-N 3.12Å; L279-I288 HydrophobicContact CD2-CD1 3.88Å; L279-A293 HydrophobicContact CB-CB 4.37Å; L279-A293 HydrophobicContact CD2-CB 4.38Å; L279-F296 WeakPolarHBondContact CD1-O 3.19Å
280	Q	89.9	Confident	87.7	Confident	122 Å²	122	57.9 Å²	57.9	57%	0.57	32%	0.324	S	S	*	.	H	α-helix	trans	-58.7	-43.7	177.1	-72.1	170.6	6.7	0	0	111.7	P276 S277 L278 V283 Q284	P276-Q280 WeakPolarHBondContact O-CG 3.4Å; P276-Q280 PolarHBondContact O-N 3.38Å; S277-Q280 PolarHBondContact O-N 2.94Å; L278-Q280 PolarHBondContact O-N 2.62Å; Q280-V283 PolarHBondContact O-N 3.02Å; Q280-Q284 WeakPolarHBondContact O-CB 3.18Å; Q280-Q284 VanDerWaalsContact O-CG 3.26Å; Q280-Q284 WeakPolarHBondContact O-CG 3.28Å; Q280-Q284 PolarHBondContact O-N 2.88Å
281	Q	90.3	Very high	88.1	Confident	72 Å²	72	63.5 Å²	63.5	34%	0.336	35%	0.348	S	S	.	.	H	α-helix	trans	-65.6	-38.9	176.6	-70.2	172.9	57.2	0	0	112.6	L225 S277 L278 L279 Q284 K285	L225-Q281 HydrophobicContact CD1-CB 3.68Å; S277-Q281 WeakPolarHBondContact O-CG 3.36Å; S277-Q281 PolarHBondContact O-N 2.86Å; S277-Q281 PolarHBondContact O-NE2 3.21Å; S277-Q281 PolarHBondContact OG-NE2 3.4Å; L278-Q281 PolarHBondContact O-N 3.1Å; L279-Q281 VanDerWaalsContact C-N 3.32Å; L279-Q281 PolarHBondContact O-N 2.61Å; Q281-Q284 PolarHBondContact O-N 3.14Å; Q281-K285 VanDerWaalsContact O-CB 3.27Å; Q281-K285 WeakPolarHBondContact O-CB 3.47Å; Q281-K285 PolarHBondContact O-N 3.31Å
282	L	90.7	Very high	88.3	Confident	2 Å²	2	66.3 Å²	66.3	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-67.6	-35.7	176.4	-70	175.9	0	0	0	112.7	L225 A228 D229 L232 L278 L279 G286 S287 I288	L225-L282 HydrophobicContact CD1-CD2 3.71Å; L225-L282 HydrophobicContact CD1-CG 3.7Å; L225-L282 HydrophobicContact CG-CD2 3.83Å; L225-L282 HydrophobicContact CG-CG 4.37Å; A228-L282 HydrophobicContact CB-CD1 4.07Å; D229-L282 HydrophobicContact CB-CD1 4.21Å; D229-L282 HydrophobicContact CB-CD2 3.83Å; L232-L282 HydrophobicContact CD1-CD1 3.73Å; L278-L282 VanDerWaalsContact O-CG 3.31Å; L278-L282 WeakPolarHBondContact O-CG 3.09Å; L278-L282 PolarHBondContact O-N 3.15Å; L279-L282 PolarHBondContact O-N 2.92Å; L282-G286 PolarHBondContact O-N 3.33Å; L282-S287 PolarHBondContact O-N 3.25Å; L282-I288 HydrophobicContact CB-CD1 3.65Å; L282-I288 HydrophobicContact CB-CG1 3.78Å; L282-I288 HydrophobicContact CD1-CD1 4.22Å; L282-I288 PolarHBondContact O-N 2.99Å
283	V	90.4	Very high	88.4	Confident	52 Å²	52	65.7 Å²	65.7	32%	0.315	36%	0.361	S	S	.	.	H	α-helix	trans	-67.5	-47	172.2	173.4	0	0	0	0	110.5	L279 Q280 K285 G286 I288 A290 A293	L279-V283 WeakPolarHBondContact O-CG2 3.21Å; L279-V283 PolarHBondContact O-N 3.12Å; Q280-V283 PolarHBondContact O-N 3.02Å; V283-K285 VanDerWaalsContact C-N 3.26Å; V283-K285 PolarHBondContact O-N 3.32Å; V283-G286 PolarHBondContact O-N 3.2Å; V283-I288 HydrophobicContact CG2-CD1 4.11Å; V283-I288 HydrophobicContact CG2-CG1 3.73Å; V283-A290 HydrophobicContact CG1-CB 4.44Å; V283-A293 HydrophobicContact CG2-CB 3.69Å
284	Q	90.4	Very high	88.5	Confident	159 Å²	159	62.9 Å²	62.9	74%	0.743	36%	0.361	S	S	*	.	H	α-helix	trans	-60.2	-34.8	176.8	-73.7	170.8	6.9	0	0	112.8	Q280 Q281 G286	Q280-Q284 WeakPolarHBondContact O-CB 3.18Å; Q280-Q284 VanDerWaalsContact O-CG 3.26Å; Q280-Q284 WeakPolarHBondContact O-CG 3.28Å; Q280-Q284 PolarHBondContact O-N 2.88Å; Q281-Q284 PolarHBondContact O-N 3.14Å; Q284-G286 VanDerWaalsContact C-N 3.25Å; Q284-G286 PolarHBondContact O-N 3.28Å
285	K	89.3	Confident	88.4	Confident	148 Å²	148	66.7 Å²	66.7	64%	0.643	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-5.4	175	-165.4	177.1	176.3	-174.8	0	113.4	Q281 V283 S287	Q281-K285 VanDerWaalsContact O-CB 3.27Å; Q281-K285 WeakPolarHBondContact O-CB 3.47Å; Q281-K285 PolarHBondContact O-N 3.31Å; V283-K285 VanDerWaalsContact C-N 3.26Å; V283-K285 PolarHBondContact O-N 3.32Å; K285-S287 PolarHBondContact O-N 2.95Å
286	G	86.1	Confident	88.3	Confident	65 Å²	65	68.2 Å²	68.2	67%	0.67	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	20.1	-175.4	0	0	0	0	0	114.3	L282 V283 Q284	L282-G286 PolarHBondContact O-N 3.33Å; V283-G286 PolarHBondContact O-N 3.2Å; Q284-G286 VanDerWaalsContact C-N 3.25Å; Q284-G286 PolarHBondContact O-N 3.28Å
287	S	84.9	Confident	88.1	Confident	48 Å²	48	68.7 Å²	68.7	34%	0.336	39%	0.388	S	S	.	.	S	Bend	trans	-81.8	-26.8	180	-54.5	0	0	0	0	112.5	L282 K285	L282-S287 PolarHBondContact O-N 3.25Å; K285-S287 PolarHBondContact O-N 2.95Å
288	I	87.5	Confident	87.9	Confident	17 Å²	17	68.8 Å²	68.8	9%	0.087	38%	0.384	C	S	.	.	S	Bend	trans	-134.7	154.6	172.8	67.9	-176.6	0	0	0	110.3	L232 L279 L282 V283 A293	L232-I288 HydrophobicContact CD1-CD1 3.9Å; L232-I288 HydrophobicContact CD1-CG2 4.34Å; L279-I288 HydrophobicContact CD2-CD1 3.88Å; L282-I288 HydrophobicContact CB-CD1 3.65Å; L282-I288 HydrophobicContact CB-CG1 3.78Å; L282-I288 HydrophobicContact CD1-CD1 4.22Å; L282-I288 PolarHBondContact O-N 2.99Å; V283-I288 HydrophobicContact CG2-CD1 4.11Å; V283-I288 HydrophobicContact CG2-CG1 3.73Å; I288-A293 HydrophobicContact CD1-CB 3.94Å
289	T	88.5	Confident	87.8	Confident	80 Å²	80	68.6 Å²	68.6	49%	0.491	38%	0.384	S	S	.	.			trans	-75.3	154.4	171	61	0	0	0	0	111.1	E291 K292 A293	T289-E291 PolarHBondContact O-N 2.92Å; T289-K292 PolarHBondContact O-N 3.43Å; T289-K292 VanDerWaalsContact O-N 3.15Å; T289-K292 WeakPolarHBondContact OG1-CB 3.41Å; T289-K292 PolarHBondContact OG1-N 3.38Å; T289-A293 PolarHBondContact O-N 3.29Å
290	A	87.6	Confident	87.7	Confident	65 Å²	65	69.1 Å²	69.1	54%	0.537	39%	0.386	S	S	.	.	H	α-helix	trans	-59.3	-35.7	173.9	0	0	0	0	0	112.1	V283 A293 A294	V283-A290 HydrophobicContact CG1-CB 4.44Å; A290-A293 PolarHBondContact O-N 2.96Å; A290-A294 WeakPolarHBondContact O-CB 3.33Å; A290-A294 PolarHBondContact O-N 3.32Å
291	E	88	Confident	87.6	Confident	158 Å²	158	63.6 Å²	63.6	74%	0.738	36%	0.361	S	S	*	.	H	α-helix	trans	-58.9	-45.9	173.4	-62.7	170.4	172.5	0	0	112	T289 A293 A294 Q295	T289-E291 PolarHBondContact O-N 2.92Å; E291-A293 VanDerWaalsContact C-N 3.35Å; E291-A293 PolarHBondContact O-N 3.29Å; E291-A294 PolarHBondContact O-N 2.93Å; E291-Q295 PolarHBondContact O-N 3.4Å
292	K	85.6	Confident	87.5	Confident	60 Å²	60	60.1 Å²	60.1	26%	0.261	35%	0.345	S	S	.	.	H	α-helix	trans	-68.8	-33.9	179.1	-170.9	169.3	-175.8	175.7	0	112.2	L232 T289 Q295 F296	L232-K292 WeakPolarHBondContact O-CE 3.07Å; L232-K292 PolarHBondContact O-NZ 3.35Å; T289-K292 PolarHBondContact O-N 3.43Å; T289-K292 VanDerWaalsContact O-N 3.15Å; T289-K292 WeakPolarHBondContact OG1-CB 3.41Å; T289-K292 PolarHBondContact OG1-N 3.38Å; K292-Q295 PolarHBondContact O-N 2.99Å; K292-F296 HydrophobicContact CG-CD2 4.12Å; K292-F296 HydrophobicContact CG-CE2 4.19Å; K292-F296 WeakPolarHBondContact O-CD2 3.17Å; K292-F296 PolarHBondContact O-N 2.96Å
293	A	85.6	Confident	87.2	Confident	15 Å²	15	60.2 Å²	60.2	12%	0.124	35%	0.346	C	S	.	.	H	α-helix	trans	-65.5	-41	170.8	0	0	0	0	0	111.8	L279 V283 I288 T289 A290 E291 Q295 F296	L279-A293 HydrophobicContact CB-CB 4.37Å; L279-A293 HydrophobicContact CD2-CB 4.38Å; V283-A293 HydrophobicContact CG2-CB 3.69Å; I288-A293 HydrophobicContact CD1-CB 3.94Å; T289-A293 PolarHBondContact O-N 3.29Å; A290-A293 PolarHBondContact O-N 2.96Å; E291-A293 VanDerWaalsContact C-N 3.35Å; E291-A293 PolarHBondContact O-N 3.29Å; A293-Q295 VanDerWaalsContact C-N 3.34Å; A293-Q295 PolarHBondContact O-N 3.23Å; A293-F296 CarbonylContact O-C 3.6Å; A293-F296 PolarHBondContact O-N 3.35Å
294	A	87.4	Confident	86.9	Confident	76 Å²	76	57.7 Å²	57.7	63%	0.628	33%	0.331	S	S	*	.	H	α-helix	trans	-68.9	-28.5	176.9	0	0	0	0	0	113.5	A290 E291 F296 P297	A290-A294 WeakPolarHBondContact O-CB 3.33Å; A290-A294 PolarHBondContact O-N 3.32Å; E291-A294 PolarHBondContact O-N 2.93Å; A294-F296 VanDerWaalsContact C-N 3.32Å; A294-P297 WeakPolarHBondContact O-CD 3.43Å
295	Q	85.3	Confident	86.4	Confident	134 Å²	134	50.3 Å²	50.3	63%	0.626	30%	0.296	S	S	*	.	H	α-helix	trans	-68.3	-29.6	173.5	-171.4	179.7	18	0	0	112.8	E291 K292 A293 P297	E291-Q295 PolarHBondContact O-N 3.4Å; K292-Q295 PolarHBondContact O-N 2.99Å; A293-Q295 VanDerWaalsContact C-N 3.34Å; A293-Q295 PolarHBondContact O-N 3.23Å; Q295-P297 VanDerWaalsContact C-CD 3.4Å; Q295-P297 WeakPolarHBondContact O-CD 3.43Å
296	F	86	Confident	86	Confident	33 Å²	33	43.3 Å²	43.3	15%	0.145	27%	0.266	C	S	.	.			trans	-126.8	53.1	-171.6	-60.3	-56.3	0	0	0	112.9	L232 T237 W275 L279 K292 A293 A294 N298	L232-F296 HydrophobicContact CD2-CB 3.84Å; L232-F296 HydrophobicContact CD2-CD2 3.82Å; L232-F296 HydrophobicContact CD2-CG 4.11Å; T237-F296 HydrophobicContact CG2-CB 3.66Å; T237-F296 HydrophobicContact CG2-CD1 3.35Å; T237-F296 HydrophobicContact CG2-CE1 4.2Å; T237-F296 HydrophobicContact CG2-CG 3.72Å; W275-F296 PolarHBondContact NE1-O 3.26Å; L279-F296 WeakPolarHBondContact CD1-O 3.19Å; K292-F296 HydrophobicContact CG-CD2 4.12Å; K292-F296 HydrophobicContact CG-CE2 4.19Å; K292-F296 WeakPolarHBondContact O-CD2 3.17Å; K292-F296 PolarHBondContact O-N 2.96Å; A293-F296 CarbonylContact O-C 3.6Å; A293-F296 PolarHBondContact O-N 3.35Å; A294-F296 VanDerWaalsContact C-N 3.32Å; F296-N298 PolarHBondContact O-N 3.09Å; F296-N298 VanDerWaalsContact O-N 3.15Å
297	P	85.5	Confident	85.7	Confident	66 Å²	66	40.3 Å²	40.3	43%	0.429	24%	0.235	S	C	.	.			trans	-67.3	-21.2	-168.4	29.3	-36.4	0	0	0	113.7	A294 Q295	A294-P297 WeakPolarHBondContact O-CD 3.43Å; Q295-P297 VanDerWaalsContact C-CD 3.4Å; Q295-P297 WeakPolarHBondContact O-CD 3.43Å
298	N	86.5	Confident	85.8	Confident	57 Å²	57	38.1 Å²	38.1	31%	0.305	22%	0.219	S	C	.	.			trans	-133.7	155.1	-175.8	-63.5	-65.4	0	0	0	110.7	F296	F296-N298 PolarHBondContact O-N 3.09Å; F296-N298 VanDerWaalsContact O-N 3.15Å
299	I	88	Confident	85.7	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	22%	0.216	C	C	.	.			trans	-117.7	126.2	169.1	-169.3	170.7	0	0	0	109.8	L231 T237 L239 F271 R272 W275	L231-I299 HydrophobicContact CD1-CD1 4.09Å; T237-I299 CarbonylContact O-C 3.6Å; T237-I299 WeakPolarHBondContact O-CA 3.24Å; T237-I299 WeakPolarHBondContact O-CG1 3.39Å; L239-I299 HydrophobicContact CD1-CD1 3.62Å; L239-I299 HydrophobicContact CD1-CG1 4.48Å; L239-I299 HydrophobicContact CG-CD1 4.05Å; F271-I299 HydrophobicContact CD1-CD1 4.2Å; F271-I299 HydrophobicContact CE1-CD1 3.81Å; R272-I299 HydrophobicContact CB-CG2 3.92Å; R272-I299 VanDerWaalsContact CD-O 3.26Å; R272-I299 WeakPolarHBondContact CD-O 3.22Å; R272-I299 HydrophobicContact CG-CG2 4.09Å; R272-I299 WeakPolarHBondContact CG-O 3.37Å; R272-I299 PolarHBondContact NE-O 3.29Å; W275-I299 HydrophobicContact CB-CG2 3.79Å; W275-I299 HydrophobicContact CD2-CB 3.76Å; W275-I299 HydrophobicContact CD2-CD1 4.43Å; W275-I299 HydrophobicContact CD2-CG2 3.7Å; W275-I299 HydrophobicContact CE3-CB 4.07Å; W275-I299 HydrophobicContact CE3-CD1 3.9Å; W275-I299 HydrophobicContact CE3-CG2 3.88Å; W275-I299 HydrophobicContact CG-CB 4.03Å; W275-I299 HydrophobicContact CG-CG2 3.68Å; W275-I299 HydrophobicContact CH2-CD1 4.02Å; W275-I299 HydrophobicContact CZ2-CB 4.4Å; W275-I299 HydrophobicContact CZ3-CD1 3.68Å
300	N	89.2	Confident	85.7	Confident	21 Å²	21	34.2 Å²	34.2	11%	0.112	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	136.6	179.1	-60.6	-35.6	0	0	0	109.3	T237 N238 L239 L467 T470	T237-N300 PolarHBondContact O-N 2.53Å; N238-N300 PolarHBondContact OD1-ND2 2.86Å; L239-N300 PolarHBondContact N-O 2.91Å; N300-L467 HydrophobicContact CB-CD2 3.71Å; N300-T470 VanDerWaalsContact CG-OG1 3.32Å; N300-T470 PolarHBondContact ND2-OG1 3.42Å
301	I	86.9	Confident	85.5	Confident	6 Å²	6	32 Å²	32	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	129.5	-175.4	-57.1	-175.5	0	0	0	110	L239 A268 R272	L239-I301 HydrophobicContact CB-CG1 4.46Å; L239-I301 WeakPolarHBondContact O-CA 3.34Å; A268-I301 HydrophobicContact CB-CD1 4.04Å; A268-I301 HydrophobicContact CB-CG2 4.02Å; A268-I301 WeakPolarHBondContact O-CD1 3.49Å; R272-I301 HydrophobicContact CB-CD1 3.91Å
302	V	87.6	Confident	85.2	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.8	170.2	172.6	0	0	0	0	109.4	L239 V240 C241 A463 A466 L467 S477 I479	L239-V302 PolarHBondContact O-N 2.9Å; V240-V302 WeakPolarHBondContact CA-O 3.46Å; C241-V302 PolarHBondContact N-O 2.71Å; V302-A463 HydrophobicContact CG1-CB 3.91Å; V302-A466 HydrophobicContact CG2-CB 3.83Å; V302-L467 HydrophobicContact CB-CD2 4.3Å; V302-L467 HydrophobicContact CB-CG 4.2Å; V302-L467 HydrophobicContact CG2-CD2 3.76Å; V302-L467 HydrophobicContact CG2-CG 3.75Å; V302-S477 WeakPolarHBondContact CA-O 3.19Å; V302-I479 HydrophobicContact CG1-CD1 3.78Å; V302-I479 HydrophobicContact CG1-CG1 3.69Å
303	G	84.1	Confident	85.1	Confident	3 Å²	3	22.1 Å²	22.1	3%	0.031	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	141.5	177.4	0	0	0	0	0	112.8	C241 S477 V478 I479	C241-G303 WeakPolarHBondContact O-CA 3.2Å; G303-S477 PolarHBondContact N-O 3.33Å; G303-V478 VanDerWaalsContact O-CA 3.3Å; G303-V478 WeakPolarHBondContact O-CA 3.43Å; G303-I479 PolarHBondContact O-N 3.4Å
304	L	84.5	Confident	84.9	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.8	165.4	-62.1	-176.6	0	0	0	109.9	F159 V240 C241 V242 G243 M459 A463 I479	F159-L304 HydrophobicContact CB-CD1 4.15Å; F159-L304 HydrophobicContact CD2-CD1 4.16Å; F159-L304 HydrophobicContact CG-CD1 4.1Å; V240-L304 HydrophobicContact CG1-CD1 3.97Å; V240-L304 HydrophobicContact CG1-CG 4.04Å; C241-L304 PolarHBondContact O-N 2.88Å; V242-L304 WeakPolarHBondContact CA-O 3.32Å; V242-L304 HydrophobicContact CB-CB 4.25Å; V242-L304 HydrophobicContact CG1-CB 3.85Å; V242-L304 HydrophobicContact CG2-CB 3.8Å; V242-L304 HydrophobicContact CG2-CD1 3.91Å; V242-L304 HydrophobicContact CG2-CG 4.19Å; G243-L304 PolarHBondContact N-O 3.1Å; L304-M459 HydrophobicContact CD2-CB 3.92Å; L304-A463 HydrophobicContact CD1-CB 4.32Å; L304-A463 HydrophobicContact CD2-CB 4.16Å; L304-A463 HydrophobicContact CG-CB 4.4Å; L304-I479 HydrophobicContact CD2-CB 3.52Å; L304-I479 HydrophobicContact CD2-CG1 3.64Å
305	V	81.1	Confident	84.8	Confident	3 Å²	3	19.9 Å²	19.9	2%	0.018	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	98.9	-175.4	-159.2	0	0	0	0	110.8	F261 F312 T318 I319 V478	F261-V305 HydrophobicContact CD1-CG1 4.4Å; F261-V305 HydrophobicContact CE1-CB 4.23Å; F261-V305 HydrophobicContact CE1-CG1 3.66Å; F261-V305 HydrophobicContact CE1-CG2 3.81Å; F261-V305 HydrophobicContact CE2-CG1 4.48Å; F261-V305 HydrophobicContact CZ-CB 3.99Å; F261-V305 HydrophobicContact CZ-CG1 3.71Å; F261-V305 HydrophobicContact CZ-CG2 3.79Å; V305-F312 HydrophobicContact CG1-CB 3.92Å; V305-F312 HydrophobicContact CG1-CD1 4.36Å; V305-F312 HydrophobicContact CG1-CG 4.25Å; V305-F312 HydrophobicContact CG2-CD1 3.6Å; V305-F312 HydrophobicContact CG2-CE1 3.91Å; V305-F312 HydrophobicContact CG2-CG 4.28Å; V305-T318 HydrophobicContact CB-CG2 3.85Å; V305-T318 HydrophobicContact CG1-CG2 3.35Å; V305-I319 WeakPolarHBondContact O-CB 3.45Å; V305-I319 PolarHBondContact O-N 2.72Å; V305-V478 HydrophobicContact CG2-CG1 3.57Å
306	G	79.9	Confident	84.8	Confident	1 Å²	1	16.2 Å²	16.2	1%	0.01	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	91	170.6	0	0	0	0	0	110.6	G243 G244 I319	G243-G306 CarbonylContact C-O 3.55Å; G243-G306 VanDerWaalsContact C-O 3.26Å; G243-G306 CarbonylContact O-C 3.57Å; G243-G306 PolarHBondContact O-N 3.3Å; G244-G306 WeakPolarHBondContact CA-O 3.17Å; G244-G306 PolarHBondContact N-O 2.84Å; G244-G306 VanDerWaalsContact N-O 3.09Å; G306-I319 CarbonylContact C-O 3.58Å
307	S	81	Confident	84.9	Confident	2 Å²	2	15.3 Å²	15.3	1%	0.014	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	145.3	-179.2	-169.8	0	0	0	0	110.5	D309 T318 I319 T321	S307-D309 PolarHBondContact OG-N 2.7Å; S307-T318 PolarHBondContact O-OG1 2.74Å; S307-I319 PolarHBondContact N-O 3.16Å; S307-T321 PolarHBondContact O-N 2.94Å; S307-T321 PolarHBondContact O-OG1 3.42Å; S307-T321 VanDerWaalsContact O-OG1 3.06Å
308	I	86.6	Confident	85	Confident	2 Å²	2	12.2 Å²	12.2	1%	0.01	7%	0.073	C	C	.	.	S	Bend	trans	-86.9	-20.7	169.6	67.4	161.6	0	0	0	111.9	L154 N310 T321 A324 M351 L358 Q443 R444	L154-I308 HydrophobicContact CB-CG2 3.99Å; L154-I308 HydrophobicContact CD1-CG2 3.98Å; L154-I308 HydrophobicContact CG-CG2 4.31Å; I308-N310 VanDerWaalsContact C-N 3.3Å; I308-N310 PolarHBondContact O-N 2.91Å; I308-T321 PolarHBondContact O-OG1 3.27Å; I308-A324 HydrophobicContact CB-CB 3.73Å; I308-A324 HydrophobicContact CD1-CB 4.41Å; I308-A324 HydrophobicContact CG2-CB 3.9Å; I308-M351 HydrophobicContact CD1-CB 3.89Å; I308-M351 HydrophobicContact CD1-SD 4.06Å; I308-L358 HydrophobicContact CB-CD1 4.5Å; I308-L358 HydrophobicContact CD1-CD1 4.3Å; I308-L358 HydrophobicContact CG1-CD1 4.42Å; I308-L358 VanDerWaalsContact O-CD1 3.31Å; I308-L358 WeakPolarHBondContact O-CD1 3.24Å; I308-L358 WeakPolarHBondContact O-CD2 3.38Å; I308-L358 WeakPolarHBondContact O-CG 3.49Å; I308-Q443 HydrophobicContact CD1-CB 4.4Å; I308-R444 HydrophobicContact CD1-CG 3.65Å
309	D	85.4	Confident	85	Confident	3 Å²	3	9.5 Å²	9.5	2%	0.016	6%	0.059	C	C	.	.	S	Bend	trans	-78.1	-15.4	-166.9	-62	-24.5	0	0	0	112.4	S307 D311 G352 R353 C355	S307-D309 PolarHBondContact OG-N 2.7Å; D309-D311 HydrophobicContact CB-CB 4.22Å; D309-D311 PolarHBondContact O-N 3.33Å; D309-G352 VanDerWaalsContact OD1-CA 3.23Å; D309-G352 WeakPolarHBondContact OD1-CA 3Å; D309-G352 PolarHBondContact OD1-N 3.42Å; D309-R353 IonicContact OD2-NE 2.66Å; D309-C355 VanDerWaalsContact O-CB 3.29Å; D309-C355 WeakPolarHBondContact O-CB 3.28Å; D309-C355 PolarHBondContact O-SG 2.91Å
310	N	88.2	Confident	85	Confident	13 Å²	13	9.5 Å²	9.5	7%	0.07	6%	0.059	C	C	.	.			trans	45.5	41.5	-172.7	-154	29.6	0	0	0	113.9	I308 D316 M317 T318 T321 Y357	I308-N310 VanDerWaalsContact C-N 3.3Å; I308-N310 PolarHBondContact O-N 2.91Å; N310-D316 PolarHBondContact ND2-O 3.06Å; N310-D316 VanDerWaalsContact ND2-O 3.13Å; N310-M317 VanDerWaalsContact OD1-CA 3.32Å; N310-M317 WeakPolarHBondContact OD1-CA 3.39Å; N310-T318 WeakPolarHBondContact CA-OG1 3.27Å; N310-T318 PolarHBondContact N-OG1 2.88Å; N310-T318 PolarHBondContact OD1-N 3.33Å; N310-T321 HydrophobicContact CB-CG2 3.74Å; N310-Y357 HydrophobicContact CB-CD1 3.68Å; N310-Y357 HydrophobicContact CB-CE1 4.23Å; N310-Y357 HydrophobicContact CB-CG 3.89Å; N310-Y357 WeakPolarHBondContact ND2-CE1 3.09Å; N310-Y357 WeakPolarHBondContact ND2-CE2 3.36Å; N310-Y357 VanDerWaalsContact ND2-CZ 3.29Å
311	D	83.9	Confident	85	Confident	19 Å²	19	8.5 Å²	8.5	10%	0.102	5%	0.054	C	C	.	.			trans	-92.8	-17	-170.9	69	-49.8	0	0	0	113.3	D309 C313 C355 R517	D309-D311 HydrophobicContact CB-CB 4.22Å; D309-D311 PolarHBondContact O-N 3.33Å; D311-C313 PolarHBondContact O-N 3.08Å; D311-C355 HydrophobicContact CB-CB 3.88Å; D311-R517 PolarHBondContact O-NH1 2.87Å
312	F	81.4	Confident	85.3	Confident	5 Å²	5	8.2 Å²	8.2	2%	0.022	5%	0.052	C	C	.	.			trans	-78.8	115.3	-175.3	-170.8	-112.8	0	0	0	113.3	F261 V305 G314 T315 T318 V478 C494 V495	F261-F312 HydrophobicContact CD1-CB 4.48Å; F261-F312 AromaticContact CD1-CD2 3.33Å; F261-F312 HydrophobicContact CD1-CD2 3.33Å; F261-F312 AromaticContact CD1-CE2 3.49Å; F261-F312 HydrophobicContact CD1-CE2 3.49Å; F261-F312 VanDerWaalsContact CD1-CE2 3.49Å; F261-F312 AromaticContact CD1-CG 3.94Å; F261-F312 HydrophobicContact CD1-CG 3.94Å; F261-F312 HydrophobicContact CD1-CZ 4.24Å; F261-F312 HydrophobicContact CE1-CB 4.46Å; F261-F312 HydrophobicContact CE1-CD1 4.08Å; F261-F312 AromaticContact CE1-CD2 3.5Å; F261-F312 HydrophobicContact CE1-CD2 3.5Å; F261-F312 HydrophobicContact CE1-CE1 4.09Å; F261-F312 AromaticContact CE1-CE2 3.5Å; F261-F312 HydrophobicContact CE1-CE2 3.5Å; F261-F312 VanDerWaalsContact CE1-CE2 3.5Å; F261-F312 AromaticContact CE1-CG 3.76Å; F261-F312 HydrophobicContact CE1-CG 3.76Å; F261-F312 AromaticContact CE1-CZ 3.77Å; F261-F312 HydrophobicContact CE1-CZ 3.77Å; V305-F312 HydrophobicContact CG1-CB 3.92Å; V305-F312 HydrophobicContact CG1-CD1 4.36Å; V305-F312 HydrophobicContact CG1-CG 4.25Å; V305-F312 HydrophobicContact CG2-CD1 3.6Å; V305-F312 HydrophobicContact CG2-CE1 3.91Å; V305-F312 HydrophobicContact CG2-CG 4.28Å; F312-G314 PolarHBondContact O-N 3.09Å; F312-T315 HydrophobicContact CD1-CG2 4.45Å; F312-T318 HydrophobicContact CB-CG2 4.2Å; F312-V478 HydrophobicContact CE1-CB 4.38Å; F312-V478 HydrophobicContact CE1-CG1 4.02Å; F312-V478 HydrophobicContact CE1-CG2 4.1Å; F312-V478 HydrophobicContact CZ-CG2 4.05Å; F312-C494 HydrophobicContact CE1-CB 3.58Å; F312-C494 HydrophobicContact CE2-CB 3.93Å; F312-C494 HydrophobicContact CZ-CB 3.23Å; F312-V495 HydrophobicContact CE2-CG2 4.37Å
313	C	83.7	Confident	85.5	Confident	4 Å²	4	8.3 Å²	8.3	3%	0.027	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	122.3	179.1	-61.2	0	0	0	0	111.9	D311 C494 R497 T498 V501	D311-C313 PolarHBondContact O-N 3.08Å; C313-C494 WeakPolarHBondContact O-CA 3.29Å; C313-C494 WeakPolarHBondContact O-CB 3.36Å; C313-R497 HydrophobicContact CB-CB 3.86Å; C313-R497 HydrophobicContact CB-CG 3.63Å; C313-T498 PolarHBondContact N-OG1 2.93Å; C313-V501 VanDerWaalsContact SG-CG2 3.55Å
314	G	80.3	Confident	85.9	Confident	28 Å²	28	8.1 Å²	8.1	29%	0.289	5%	0.051	S	C	.	.	T	Hydrogen-bonded Turn	trans	130.6	-10.7	177.4	0	0	0	0	0	114.2	F312 A480	F312-G314 PolarHBondContact O-N 3.09Å; G314-A480 WeakPolarHBondContact O-CB 3.45Å
315	T	85.2	Confident	86.5	Confident	16 Å²	16	8.3 Å²	8.3	10%	0.098	5%	0.052	C	C	.	.			trans	-124.1	144.7	169.2	-169.5	0	0	0	0	109.6	F312 M317 T318 L481	F312-T315 HydrophobicContact CD1-CG2 4.45Å; T315-M317 VanDerWaalsContact C-N 3.31Å; T315-M317 WeakPolarHBondContact CG2-O 3.42Å; T315-M317 PolarHBondContact OG1-O 2.86Å; T315-T318 HydrophobicContact CG2-CG2 3.59Å; T315-L481 PolarHBondContact OG1-N 2.91Å
316	D	86.8	Confident	87.1	Confident	57 Å²	57	9.1 Å²	9.1	31%	0.305	6%	0.056	S	C	.	.	S	Bend	trans	-72.5	-27.3	174.5	-85.6	-40.7	0	0	0	112.3	N310 L481 G483	N310-D316 PolarHBondContact ND2-O 3.06Å; N310-D316 VanDerWaalsContact ND2-O 3.13Å; D316-L481 PolarHBondContact N-O 2.67Å; D316-G483 PolarHBondContact OD2-N 3.17Å
317	M	88	Confident	87.8	Confident	15 Å²	15	11.9 Å²	11.9	7%	0.074	7%	0.066	C	C	.	.			trans	-144.7	137.8	177.7	-159.6	68.3	75.5	0	0	110.9	N310 T315 T321 Y357 F451 L455 L481	N310-M317 VanDerWaalsContact OD1-CA 3.32Å; N310-M317 WeakPolarHBondContact OD1-CA 3.39Å; T315-M317 VanDerWaalsContact C-N 3.31Å; T315-M317 WeakPolarHBondContact CG2-O 3.42Å; T315-M317 PolarHBondContact OG1-O 2.86Å; M317-T321 VanDerWaalsContact SD-CB 3.57Å; M317-T321 HydrophobicContact SD-CG2 3.45Å; M317-T321 WeakPolarHBondContact SD-CG2 3.49Å; M317-Y357 HydrophobicContact CE-CE1 4.35Å; M317-Y357 WeakPolarHBondContact CE-OH 3.22Å; M317-Y357 HydrophobicContact SD-CE1 4.07Å; M317-F451 HydrophobicContact CB-CE1 4.28Å; M317-F451 HydrophobicContact CG-CE1 3.94Å; M317-L455 HydrophobicContact CB-CD2 4.46Å; M317-L481 HydrophobicContact CB-CD2 4.18Å
318	T	87.3	Confident	88.5	Confident	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.065	C	C	.	.			trans	-96.6	146.9	169.1	54.8	0	0	0	0	111	V305 S307 N310 F312 T315 G320 T321	V305-T318 HydrophobicContact CB-CG2 3.85Å; V305-T318 HydrophobicContact CG1-CG2 3.35Å; S307-T318 PolarHBondContact O-OG1 2.74Å; N310-T318 WeakPolarHBondContact CA-OG1 3.27Å; N310-T318 PolarHBondContact N-OG1 2.88Å; N310-T318 PolarHBondContact OD1-N 3.33Å; F312-T318 HydrophobicContact CB-CG2 4.2Å; T315-T318 HydrophobicContact CG2-CG2 3.59Å; T318-G320 PolarHBondContact O-N 3.17Å; T318-T321 WeakPolarHBondContact O-CB 3.46Å; T318-T321 PolarHBondContact O-N 2.91Å; T318-T321 VanDerWaalsContact O-N 3.15Å; T318-T321 PolarHBondContact O-OG1 3.44Å; T318-T321 VanDerWaalsContact O-OG1 3.04Å; T318-T321 PolarHBondContact OG1-OG1 3.47Å
319	I	85.9	Confident	88.9	Confident	0 Å²	0	12 Å²	12	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	122.1	-176.5	-53.6	167.3	0	0	0	109.4	D156 V305 G306 S307 L455 M459	D156-I319 HydrophobicContact CB-CG2 3.54Å; D156-I319 WeakPolarHBondContact OD2-CG2 3.5Å; V305-I319 WeakPolarHBondContact O-CB 3.45Å; V305-I319 PolarHBondContact O-N 2.72Å; G306-I319 CarbonylContact C-O 3.58Å; S307-I319 PolarHBondContact N-O 3.16Å; I319-L455 HydrophobicContact CG1-CD2 4.05Å; I319-L455 HydrophobicContact CG1-CG 4.15Å; I319-M459 HydrophobicContact CD1-SD 3.73Å; I319-M459 HydrophobicContact CG1-SD 3.72Å
320	G	87.2	Confident	89.4	Confident	1 Å²	1	16.1 Å²	16.1	1%	0.01	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	104.8	-12	179.4	0	0	0	0	0	114.3	T318 A324 D452	T318-G320 PolarHBondContact O-N 3.17Å; G320-A324 PolarHBondContact O-N 3.46Å; G320-D452 WeakPolarHBondContact CA-OD2 3.38Å; G320-D452 VanDerWaalsContact N-CG 3.28Å; G320-D452 PolarHBondContact N-OD1 3.2Å; G320-D452 PolarHBondContact N-OD2 2.9Å
321	T	90.8	Very high	89.7	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.2	-44.4	177.6	-59.2	0	0	0	0	111.7	S307 I308 N310 M317 T318 A324 L325 Y357 L358	S307-T321 PolarHBondContact O-N 2.94Å; S307-T321 PolarHBondContact O-OG1 3.42Å; S307-T321 VanDerWaalsContact O-OG1 3.06Å; I308-T321 PolarHBondContact O-OG1 3.27Å; N310-T321 HydrophobicContact CB-CG2 3.74Å; M317-T321 VanDerWaalsContact SD-CB 3.57Å; M317-T321 HydrophobicContact SD-CG2 3.45Å; M317-T321 WeakPolarHBondContact SD-CG2 3.49Å; T318-T321 WeakPolarHBondContact O-CB 3.46Å; T318-T321 PolarHBondContact O-N 2.91Å; T318-T321 VanDerWaalsContact O-N 3.15Å; T318-T321 PolarHBondContact O-OG1 3.44Å; T318-T321 VanDerWaalsContact O-OG1 3.04Å; T318-T321 PolarHBondContact OG1-OG1 3.47Å; T321-A324 WeakPolarHBondContact O-CB 3.45Å; T321-A324 PolarHBondContact O-N 3.49Å; T321-L325 HydrophobicContact CG2-CD1 4.42Å; T321-L325 WeakPolarHBondContact O-CG 3.48Å; T321-L325 PolarHBondContact O-N 3.41Å; T321-Y357 HydrophobicContact CG2-CD1 3.89Å; T321-Y357 HydrophobicContact CG2-CE1 3.81Å; T321-L358 HydrophobicContact CG2-CD2 3.94Å
322	D	92.8	Very high	90.1	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-68.5	-39.9	-179	-176.3	71.1	0	0	0	111.1	A324 L325 H326 S449 F451 D452	D322-A324 VanDerWaalsContact C-N 3.31Å; D322-A324 PolarHBondContact O-N 3.22Å; D322-L325 WeakPolarHBondContact O-CB 3.37Å; D322-L325 PolarHBondContact O-N 3.02Å; D322-L325 VanDerWaalsContact O-N 3.16Å; D322-H326 PolarHBondContact O-CD2 3Å; D322-H326 PolarHBondContact O-N 3.36Å; D322-H326 IonicContact OD2-CD2 2.7Å; D322-H326 IonicContact OD2-NE2 3.46Å; D322-S449 WeakPolarHBondContact OD2-CB 3.45Å; D322-S449 PolarHBondContact OD2-OG 3.14Å; D322-F451 HydrophobicContact CB-CD1 3.95Å; D322-D452 PolarHBondContact N-OD2 3.16Å
323	T	92.1	Very high	90.7	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-55.5	-44	169.2	-60.6	0	0	0	0	111.9	L154 H326 R327 P448 S449 D452	L154-T323 HydrophobicContact CD1-CG2 4.12Å; T323-H326 WeakPolarHBondContact O-CB 3.18Å; T323-H326 PolarHBondContact O-N 3.04Å; T323-R327 WeakPolarHBondContact O-CG 3.4Å; T323-R327 PolarHBondContact O-N 3.47Å; T323-P448 HydrophobicContact CG2-CB 3.96Å; T323-P448 WeakPolarHBondContact OG1-CA 3.3Å; T323-S449 PolarHBondContact OG1-N 3.01Å; T323-D452 VanDerWaalsContact CB-OD2 3.26Å; T323-D452 WeakPolarHBondContact CB-OD2 3.13Å; T323-D452 PolarHBondContact N-OD2 2.71Å; T323-D452 PolarHBondContact OG1-OD2 2.62Å
324	A	92.6	Very high	91	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.7	-41.2	176.7	0	0	0	0	0	112.2	I308 G320 T321 D322 H326 R327 I328 L358 Q443	I308-A324 HydrophobicContact CB-CB 3.73Å; I308-A324 HydrophobicContact CD1-CB 4.41Å; I308-A324 HydrophobicContact CG2-CB 3.9Å; G320-A324 PolarHBondContact O-N 3.46Å; T321-A324 WeakPolarHBondContact O-CB 3.45Å; T321-A324 PolarHBondContact O-N 3.49Å; D322-A324 VanDerWaalsContact C-N 3.31Å; D322-A324 PolarHBondContact O-N 3.22Å; A324-H326 VanDerWaalsContact C-N 3.31Å; A324-H326 PolarHBondContact O-N 3.43Å; A324-R327 WeakPolarHBondContact O-CB 3.22Å; A324-R327 PolarHBondContact O-N 3.39Å; A324-R327 VanDerWaalsContact O-N 3.14Å; A324-I328 WeakPolarHBondContact O-CG1 3.13Å; A324-I328 PolarHBondContact O-N 3.23Å; A324-L358 HydrophobicContact CB-CD1 4.35Å; A324-L358 HydrophobicContact CB-CD2 4.08Å; A324-Q443 WeakPolarHBondContact CB-O 3.35Å
325	L	95.5	Very high	91.5	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.016	11%	0.108	C	C	.	.	H	α-helix	trans	-59.4	-39.8	173.3	-71.7	170.7	0	0	0	112.1	T321 D322 R327 I328 I329 Y357 L358 V361 P818	T321-L325 HydrophobicContact CG2-CD1 4.42Å; T321-L325 WeakPolarHBondContact O-CG 3.48Å; T321-L325 PolarHBondContact O-N 3.41Å; D322-L325 WeakPolarHBondContact O-CB 3.37Å; D322-L325 PolarHBondContact O-N 3.02Å; D322-L325 VanDerWaalsContact O-N 3.16Å; L325-R327 VanDerWaalsContact C-N 3.35Å; L325-R327 PolarHBondContact O-N 3.03Å; L325-I328 HydrophobicContact CD2-CD1 4.48Å; L325-I328 PolarHBondContact O-N 3.12Å; L325-I329 WeakPolarHBondContact O-CG1 3.17Å; L325-I329 PolarHBondContact O-N 3.48Å; L325-Y357 HydrophobicContact CD1-CE1 4.41Å; L325-L358 HydrophobicContact CD2-CD2 3.71Å; L325-L358 HydrophobicContact CG-CD2 3.71Å; L325-V361 HydrophobicContact CD1-CB 4.22Å; L325-V361 HydrophobicContact CD1-CG1 3.66Å; L325-V361 HydrophobicContact CD2-CB 3.9Å; L325-V361 HydrophobicContact CD2-CG1 3.87Å; L325-V361 HydrophobicContact CG-CG1 4.42Å; L325-P818 HydrophobicContact CB-CB 3.79Å; L325-P818 HydrophobicContact CB-CG 3.92Å
326	H	95	Very high	91.6	Very high	21 Å²	21	18.8 Å²	18.8	10%	0.097	10%	0.104	C	C	.	.	H	α-helix	trans	-57.8	-47.1	173.4	-91.5	-110.7	0	0	0	111.2	D322 T323 A324 I328 I329 E330 T817 P818	D322-H326 PolarHBondContact O-CD2 3Å; D322-H326 PolarHBondContact O-N 3.36Å; D322-H326 IonicContact OD2-CD2 2.7Å; D322-H326 IonicContact OD2-NE2 3.46Å; T323-H326 WeakPolarHBondContact O-CB 3.18Å; T323-H326 PolarHBondContact O-N 3.04Å; A324-H326 VanDerWaalsContact C-N 3.31Å; A324-H326 PolarHBondContact O-N 3.43Å; H326-I328 VanDerWaalsContact C-N 3.33Å; H326-I328 PolarHBondContact O-N 3.37Å; H326-I329 PolarHBondContact O-N 2.82Å; H326-E330 WeakPolarHBondContact O-CB 3.41Å; H326-E330 VanDerWaalsContact O-CG 3.32Å; H326-E330 WeakPolarHBondContact O-CG 3.4Å; H326-E330 PolarHBondContact O-N 3.15Å; H326-T817 VanDerWaalsContact CE1-CG2 3.49Å; H326-T817 WeakPolarHBondContact CE1-CG2 3.1Å; H326-P818 HydrophobicContact CB-CG 4.47Å; H326-P818 VanDerWaalsContact CD2-CD 3.48Å; H326-P818 WeakPolarHBondContact CD2-CD 3.49Å
327	R	94.4	Very high	91.5	Very high	59 Å²	59	19.6 Å²	19.6	22%	0.223	11%	0.114	C	C	.	.	H	α-helix	trans	-62.6	-37.9	177.7	-59.6	-63.3	109.3	-144.6	-8.8	112.5	T323 A324 L325 E330 A331 V442 G445	T323-R327 WeakPolarHBondContact O-CG 3.4Å; T323-R327 PolarHBondContact O-N 3.47Å; A324-R327 WeakPolarHBondContact O-CB 3.22Å; A324-R327 PolarHBondContact O-N 3.39Å; A324-R327 VanDerWaalsContact O-N 3.14Å; L325-R327 VanDerWaalsContact C-N 3.35Å; L325-R327 PolarHBondContact O-N 3.03Å; R327-E330 IonicContact CZ-OE1 2.73Å; R327-E330 IonicContact CZ-OE2 2.75Å; R327-E330 IonicContact NH1-OE1 3.39Å; R327-E330 IonicContact NH1-OE2 3.15Å; R327-E330 PolarHBondContact NH1-OE2 2.96Å; R327-E330 VanDerWaalsContact NH2-CD 3.29Å; R327-E330 IonicContact NH2-OE1 2.84Å; R327-E330 PolarHBondContact NH2-OE1 3.43Å; R327-E330 IonicContact NH2-OE2 2.72Å; R327-E330 PolarHBondContact NH2-OE2 3.42Å; R327-A331 WeakPolarHBondContact O-CB 3.12Å; R327-A331 PolarHBondContact O-N 3.41Å; R327-V442 VanDerWaalsContact CG-O 3.27Å; R327-V442 WeakPolarHBondContact CG-O 3.48Å; R327-G445 WeakPolarHBondContact CD-O 3.22Å; R327-G445 WeakPolarHBondContact CG-O 3.36Å
328	I	96	Very high	91.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.3	-50.8	176.7	-63.7	164.3	0	0	0	110.3	A324 L325 H326 A331 V332 V350 L358 A362 L439 Q443	A324-I328 WeakPolarHBondContact O-CG1 3.13Å; A324-I328 PolarHBondContact O-N 3.23Å; L325-I328 HydrophobicContact CD2-CD1 4.48Å; L325-I328 PolarHBondContact O-N 3.12Å; H326-I328 VanDerWaalsContact C-N 3.33Å; H326-I328 PolarHBondContact O-N 3.37Å; I328-A331 PolarHBondContact O-N 3.27Å; I328-V332 HydrophobicContact CG2-CG2 4.22Å; I328-V332 WeakPolarHBondContact O-CG2 3.32Å; I328-V332 PolarHBondContact O-N 3.46Å; I328-V350 HydrophobicContact CD1-CB 4.15Å; I328-V350 HydrophobicContact CD1-CG1 4.17Å; I328-V350 HydrophobicContact CG1-CG1 4.21Å; I328-V350 HydrophobicContact CG2-CG1 3.83Å; I328-L358 HydrophobicContact CD1-CB 3.97Å; I328-L358 HydrophobicContact CD1-CD1 4.35Å; I328-L358 HydrophobicContact CD1-CD2 4.19Å; I328-L358 HydrophobicContact CD1-CG 4.41Å; I328-A362 HydrophobicContact CG2-CB 3.59Å; I328-L439 HydrophobicContact CB-CD1 4.22Å; I328-L439 HydrophobicContact CG1-CD1 3.98Å; I328-L439 HydrophobicContact CG2-CD1 4.14Å; I328-Q443 HydrophobicContact CG1-CG 3.9Å
329	I	95.6	Very high	91.2	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.026	13%	0.127	C	C	.	.	H	α-helix	trans	-66.6	-40.4	-176.6	-67	-58.4	0	0	0	112	L325 H326 A331 V332 D333 A362 A365 P818	L325-I329 WeakPolarHBondContact O-CG1 3.17Å; L325-I329 PolarHBondContact O-N 3.48Å; H326-I329 PolarHBondContact O-N 2.82Å; I329-A331 VanDerWaalsContact C-N 3.26Å; I329-A331 PolarHBondContact O-N 2.93Å; I329-V332 PolarHBondContact O-N 3.46Å; I329-D333 WeakPolarHBondContact O-CB 3.22Å; I329-D333 VanDerWaalsContact O-CG 3.28Å; I329-D333 PolarHBondContact O-N 3.26Å; I329-A362 HydrophobicContact CD1-CB 4.41Å; I329-A365 HydrophobicContact CD1-CB 3.76Å; I329-A365 HydrophobicContact CG1-CB 4.31Å; I329-P818 HydrophobicContact CB-CG 4.13Å; I329-P818 HydrophobicContact CG1-CB 4.03Å; I329-P818 HydrophobicContact CG1-CG 3.84Å
330	E	93.9	Very high	91	Very high	91 Å²	91	24.1 Å²	24.1	43%	0.425	14%	0.139	S	C	.	.	H	α-helix	trans	-59.1	-38	173.6	-75	171.9	-143	0	0	112.3	H326 R327 A334	H326-E330 WeakPolarHBondContact O-CB 3.41Å; H326-E330 VanDerWaalsContact O-CG 3.32Å; H326-E330 WeakPolarHBondContact O-CG 3.4Å; H326-E330 PolarHBondContact O-N 3.15Å; R327-E330 IonicContact CZ-OE1 2.73Å; R327-E330 IonicContact CZ-OE2 2.75Å; R327-E330 IonicContact NH1-OE1 3.39Å; R327-E330 IonicContact NH1-OE2 3.15Å; R327-E330 PolarHBondContact NH1-OE2 2.96Å; R327-E330 VanDerWaalsContact NH2-CD 3.29Å; R327-E330 IonicContact NH2-OE1 2.84Å; R327-E330 PolarHBondContact NH2-OE1 3.43Å; R327-E330 IonicContact NH2-OE2 2.72Å; R327-E330 PolarHBondContact NH2-OE2 3.42Å; E330-A334 VanDerWaalsContact O-CB 3.31Å; E330-A334 WeakPolarHBondContact O-CB 3.15Å; E330-A334 PolarHBondContact O-N 2.96Å
331	A	94.6	Very high	90.9	Very high	25 Å²	25	28 Å²	28	21%	0.207	17%	0.166	C	C	.	.	H	α-helix	trans	-73.1	-39.5	176.3	0	0	0	0	0	112.8	R327 I328 I329 A334 V335 L439	R327-A331 WeakPolarHBondContact O-CB 3.12Å; R327-A331 PolarHBondContact O-N 3.41Å; I328-A331 PolarHBondContact O-N 3.27Å; I329-A331 VanDerWaalsContact C-N 3.26Å; I329-A331 PolarHBondContact O-N 2.93Å; A331-A334 PolarHBondContact O-N 2.98Å; A331-V335 WeakPolarHBondContact O-CB 3.49Å; A331-V335 VanDerWaalsContact O-CG2 3.31Å; A331-V335 WeakPolarHBondContact O-CG2 3.44Å; A331-V335 PolarHBondContact O-N 3.48Å; A331-L439 HydrophobicContact CB-CD1 4.25Å; A331-L439 HydrophobicContact CB-CD2 3.44Å; A331-L439 VanDerWaalsContact CB-CD2 3.44Å
332	V	93.9	Very high	90.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.7	-44.4	177.9	176.9	0	0	0	0	111.3	I328 I329 A334 V335 Q336 V348 I402	I328-V332 HydrophobicContact CG2-CG2 4.22Å; I328-V332 WeakPolarHBondContact O-CG2 3.32Å; I328-V332 PolarHBondContact O-N 3.46Å; I329-V332 PolarHBondContact O-N 3.46Å; V332-A334 VanDerWaalsContact C-N 3.31Å; V332-A334 PolarHBondContact O-N 2.93Å; V332-V335 PolarHBondContact O-N 3.16Å; V332-Q336 WeakPolarHBondContact O-CB 3.09Å; V332-Q336 PolarHBondContact O-N 3.3Å; V332-V348 HydrophobicContact CG2-CG1 4.19Å; V332-V348 HydrophobicContact CG2-CG2 4.42Å; V332-I402 HydrophobicContact CG1-CG2 4.11Å
333	D	92.4	Very high	90	Very high	32 Å²	32	37.7 Å²	37.7	17%	0.171	21%	0.211	C	C	.	.	H	α-helix	trans	-59.3	-42.3	175.3	-71.4	-3.9	0	0	0	110.8	I329 Q336 S337 R821	I329-D333 WeakPolarHBondContact O-CB 3.22Å; I329-D333 VanDerWaalsContact O-CG 3.28Å; I329-D333 PolarHBondContact O-N 3.26Å; D333-Q336 PolarHBondContact O-N 2.88Å; D333-S337 PolarHBondContact O-N 3.23Å; D333-R821 IonicContact OD1-CZ 3.74Å; D333-R821 IonicContact OD1-NH1 2.81Å; D333-R821 PolarHBondContact OD1-NH1 3.31Å; D333-R821 IonicContact OD1-NH2 3.23Å; D333-R821 IonicContact OD2-CZ 3.34Å; D333-R821 IonicContact OD2-NH1 2.78Å; D333-R821 PolarHBondContact OD2-NH1 2.79Å; D333-R821 IonicContact OD2-NH2 2.97Å; D333-R821 PolarHBondContact OD2-NH2 3.43Å
334	A	91.5	Very high	89.9	Confident	59 Å²	59	40.3 Å²	40.3	49%	0.488	22%	0.221	S	C	.	.	H	α-helix	trans	-62.6	-45.6	175	0	0	0	0	0	112.3	E330 A331 V332 Q336 S337	E330-A334 VanDerWaalsContact O-CB 3.31Å; E330-A334 WeakPolarHBondContact O-CB 3.15Å; E330-A334 PolarHBondContact O-N 2.96Å; A331-A334 PolarHBondContact O-N 2.98Å; V332-A334 VanDerWaalsContact C-N 3.31Å; V332-A334 PolarHBondContact O-N 2.93Å; A334-Q336 VanDerWaalsContact C-N 3.33Å; A334-Q336 PolarHBondContact O-N 3.18Å; A334-S337 PolarHBondContact O-N 3.03Å; A334-S337 PolarHBondContact O-OG 3.33Å
335	V	90.6	Very high	89.9	Confident	19 Å²	19	40.3 Å²	40.3	12%	0.115	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-39	174.7	163.1	0	0	0	0	111.8	A331 V332 S337 T338 A339 F346 I402	A331-V335 WeakPolarHBondContact O-CB 3.49Å; A331-V335 VanDerWaalsContact O-CG2 3.31Å; A331-V335 WeakPolarHBondContact O-CG2 3.44Å; A331-V335 PolarHBondContact O-N 3.48Å; V332-V335 PolarHBondContact O-N 3.16Å; V335-S337 VanDerWaalsContact C-N 3.28Å; V335-S337 PolarHBondContact O-N 3.49Å; V335-T338 WeakPolarHBondContact O-CG2 3.49Å; V335-T338 PolarHBondContact O-N 3.31Å; V335-A339 WeakPolarHBondContact O-CB 3.49Å; V335-A339 PolarHBondContact O-N 3.31Å; V335-F346 HydrophobicContact CG1-CB 3.75Å; V335-F346 HydrophobicContact CG1-CD1 3.37Å; V335-F346 HydrophobicContact CG1-CD2 3.63Å; V335-F346 HydrophobicContact CG1-CE1 3.74Å; V335-F346 HydrophobicContact CG1-CE2 3.98Å; V335-F346 HydrophobicContact CG1-CG 3.29Å; V335-F346 HydrophobicContact CG1-CZ 4.03Å; V335-F346 HydrophobicContact CG2-CD1 4.49Å; V335-I402 HydrophobicContact CG1-CD1 4.3Å
336	Q	87.2	Confident	89.9	Confident	5 Å²	5	40.9 Å²	40.9	2%	0.023	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-37.1	-178.7	-168.6	168.8	13.4	0	0	111.7	V332 D333 A334 A339 Q340 N606 M609	V332-Q336 WeakPolarHBondContact O-CB 3.09Å; V332-Q336 PolarHBondContact O-N 3.3Å; D333-Q336 PolarHBondContact O-N 2.88Å; A334-Q336 VanDerWaalsContact C-N 3.33Å; A334-Q336 PolarHBondContact O-N 3.18Å; Q336-A339 PolarHBondContact O-N 3Å; Q336-Q340 WeakPolarHBondContact O-CG 3.41Å; Q336-Q340 PolarHBondContact O-N 2.82Å; Q336-N606 PolarHBondContact NE2-OD1 3.27Å; Q336-M609 VanDerWaalsContact CD-CE 3.46Å; Q336-M609 HydrophobicContact CG-CE 4.35Å; Q336-M609 VanDerWaalsContact NE2-CE 3.27Å
337	S	83.9	Confident	89.9	Confident	74 Å²	74	39.9 Å²	39.9	52%	0.517	22%	0.219	S	C	.	.	H	α-helix	trans	-59.8	-47.4	176.6	75	0	0	0	0	113	D333 A334 V335 S341	D333-S337 PolarHBondContact O-N 3.23Å; A334-S337 PolarHBondContact O-N 3.03Å; A334-S337 PolarHBondContact O-OG 3.33Å; V335-S337 VanDerWaalsContact C-N 3.28Å; V335-S337 PolarHBondContact O-N 3.49Å; S337-S341 PolarHBondContact O-OG 2.85Å
338	T	87.6	Confident	90	Very high	54 Å²	54	37.1 Å²	37.1	33%	0.331	21%	0.209	S	C	.	.	H	α-helix	trans	-73.2	-32.4	177	-178.3	0	0	0	0	112.2	V335 S341 H342 F346	V335-T338 WeakPolarHBondContact O-CG2 3.49Å; V335-T338 PolarHBondContact O-N 3.31Å; T338-S341 PolarHBondContact O-N 2.88Å; T338-H342 PolarHBondContact O-N 3.48Å; T338-F346 HydrophobicContact CG2-CE2 4.49Å; T338-F346 HydrophobicContact CG2-CZ 4.06Å
339	A	82.4	Confident	90.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-42.1	176.1	0	0	0	0	0	112	V335 Q336 S341 H342 Q343 R344 F346 V400	V335-A339 WeakPolarHBondContact O-CB 3.49Å; V335-A339 PolarHBondContact O-N 3.31Å; Q336-A339 PolarHBondContact O-N 3Å; A339-S341 VanDerWaalsContact C-N 3.28Å; A339-S341 PolarHBondContact O-N 2.87Å; A339-H342 PolarHBondContact O-N 3.21Å; A339-Q343 PolarHBondContact O-N 2.68Å; A339-R344 HydrophobicContact CB-CB 4.5Å; A339-R344 PolarHBondContact O-N 3.02Å; A339-F346 HydrophobicContact CB-CD2 3.67Å; A339-F346 HydrophobicContact CB-CE2 3.56Å; A339-V400 HydrophobicContact CB-CB 4.18Å; A339-V400 HydrophobicContact CB-CG1 3.54Å; A339-V400 HydrophobicContact CB-CG2 3.61Å
340	Q	81.9	Confident	90.1	Very high	57 Å²	57	39.1 Å²	39.1	27%	0.266	22%	0.218	S	C	.	.	H	α-helix	trans	-61.1	-37.9	178.5	-75.3	178.7	11.9	0	0	111.9	Q336 R399 V400	Q336-Q340 WeakPolarHBondContact O-CG 3.41Å; Q336-Q340 PolarHBondContact O-N 2.82Å; Q340-R399 PolarHBondContact O-NE 2.88Å; Q340-R399 PolarHBondContact O-NH2 2.89Å; Q340-V400 VanDerWaalsContact CA-CG2 3.44Å; Q340-V400 HydrophobicContact CB-CG2 4.06Å; Q340-V400 HydrophobicContact CG-CG2 3.51Å
341	S	84.6	Confident	90.1	Very high	81 Å²	81	35.4 Å²	35.4	57%	0.566	20%	0.201	S	C	*	.	H	α-helix	trans	-64.3	-45.4	176.8	-51.9	0	0	0	0	112.3	S337 T338 A339 R399	S337-S341 PolarHBondContact O-OG 2.85Å; T338-S341 PolarHBondContact O-N 2.88Å; A339-S341 VanDerWaalsContact C-N 3.28Å; A339-S341 PolarHBondContact O-N 2.87Å; S341-R399 PolarHBondContact O-NH2 2.81Å
342	H	82.2	Confident	89.7	Confident	110 Å²	110	34.3 Å²	34.3	51%	0.509	19%	0.191	S	C	.	.	H	α-helix	trans	-102	2	-170.6	-69	-71.4	0	0	0	116	T338 A339 R344	T338-H342 PolarHBondContact O-N 3.48Å; A339-H342 PolarHBondContact O-N 3.21Å; H342-R344 VanDerWaalsContact C-N 3.31Å; H342-R344 HydrophobicContact CB-CG 3.74Å; H342-R344 PolarHBondContact CD2-NH1 2.9Å; H342-R344 PolarHBondContact O-N 3.31Å
343	Q	83.1	Confident	89.2	Confident	96 Å²	96	36.2 Å²	36.2	45%	0.449	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	43.4	-174	-61.1	-178	-16.3	0	0	113.6	A339 R394 R399	A339-Q343 PolarHBondContact O-N 2.68Å; Q343-R394 VanDerWaalsContact O-CZ 3.3Å; Q343-R394 PolarHBondContact O-NH1 3.49Å; Q343-R394 PolarHBondContact O-NH2 3.46Å; Q343-R399 CarbonylContact C-O 3.18Å; Q343-R399 WeakPolarHBondContact CA-O 3.35Å; Q343-R399 HydrophobicContact CG-CB 4.31Å; Q343-R399 HydrophobicContact CG-CG 4.43Å; Q343-R399 VanDerWaalsContact NE2-NH1 3.17Å
344	R	89.5	Confident	88.8	Confident	55 Å²	55	38.4 Å²	38.4	21%	0.208	21%	0.208	C	C	.	.			trans	-93.3	154.4	-173.2	-78.3	177	173.9	142.9	7.4	113.5	A339 H342 F346 N401 D433	A339-R344 HydrophobicContact CB-CB 4.5Å; A339-R344 PolarHBondContact O-N 3.02Å; H342-R344 VanDerWaalsContact C-N 3.31Å; H342-R344 HydrophobicContact CB-CG 3.74Å; H342-R344 PolarHBondContact CD2-NH1 2.9Å; H342-R344 PolarHBondContact O-N 3.31Å; R344-F346 HydrophobicContact CB-CD2 4.06Å; R344-F346 HydrophobicContact CB-CE2 3.64Å; R344-N401 PolarHBondContact O-N 2.7Å; R344-D433 HydrophobicContact CG-CB 4.18Å; R344-D433 IonicContact CZ-OD2 2.69Å; R344-D433 IonicContact NE-OD2 3.81Å; R344-D433 PolarHBondContact NE-OD2 3.35Å; R344-D433 IonicContact NH2-OD2 3.02Å; R344-D433 PolarHBondContact NH2-OD2 3Å; R344-D433 VanDerWaalsContact NH2-OD2 3.15Å
345	S	92.2	Very high	88.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	140.2	163.9	-58.3	0	0	0	0	109.4	R394 N401 D433 T434 R435	S345-R394 PolarHBondContact OG-NH2 2.95Å; S345-N401 CarbonylContact C-O 3.3Å; S345-N401 WeakPolarHBondContact CA-O 3.33Å; S345-D433 PolarHBondContact N-O 3.31Å; S345-T434 VanDerWaalsContact O-CA 3.28Å; S345-T434 WeakPolarHBondContact O-CA 3.44Å; S345-R435 PolarHBondContact O-N 2.61Å
346	F	94.6	Very high	88.9	Confident	15 Å²	15	34.7 Å²	34.7	7%	0.066	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.3	175.2	-80.5	-96.6	0	0	0	110.9	V335 T338 A339 R344 V348 N401 I402 I403 R435	V335-F346 HydrophobicContact CG1-CB 3.75Å; V335-F346 HydrophobicContact CG1-CD1 3.37Å; V335-F346 HydrophobicContact CG1-CD2 3.63Å; V335-F346 HydrophobicContact CG1-CE1 3.74Å; V335-F346 HydrophobicContact CG1-CE2 3.98Å; V335-F346 HydrophobicContact CG1-CG 3.29Å; V335-F346 HydrophobicContact CG1-CZ 4.03Å; V335-F346 HydrophobicContact CG2-CD1 4.49Å; T338-F346 HydrophobicContact CG2-CE2 4.49Å; T338-F346 HydrophobicContact CG2-CZ 4.06Å; A339-F346 HydrophobicContact CB-CD2 3.67Å; A339-F346 HydrophobicContact CB-CE2 3.56Å; R344-F346 HydrophobicContact CB-CD2 4.06Å; R344-F346 HydrophobicContact CB-CE2 3.64Å; F346-V348 HydrophobicContact CB-CG2 4.47Å; F346-N401 PolarHBondContact N-O 2.82Å; F346-I402 HydrophobicContact CB-CD1 4.03Å; F346-I403 PolarHBondContact O-N 2.89Å; F346-R435 CarbonylContact C-O 3.54Å; F346-R435 WeakPolarHBondContact CA-O 3.5Å; F346-R435 HydrophobicContact CD1-CB 3.85Å; F346-R435 HydrophobicContact CE1-CB 3.71Å; F346-R435 HydrophobicContact CE1-CG 4.32Å; F346-R435 HydrophobicContact CZ-CB 4.31Å; F346-R435 HydrophobicContact CZ-CG 4.47Å
347	V	96.4	Very high	89.2	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	110.3	170.5	-175	0	0	0	0	107	I403 V405 V422 I426 T434 R435 V436 T437	V347-I403 CarbonylContact C-O 3.57Å; V347-I403 WeakPolarHBondContact CA-O 3.43Å; V347-I403 HydrophobicContact CG2-CB 4.42Å; V347-V405 HydrophobicContact CG1-CG2 3.58Å; V347-V422 HydrophobicContact CG1-CB 4.23Å; V347-V422 HydrophobicContact CG1-CG1 4.21Å; V347-V422 HydrophobicContact CG2-CB 4.45Å; V347-V422 HydrophobicContact CG2-CG1 3.96Å; V347-I426 HydrophobicContact CG2-CD1 4.34Å; V347-T434 HydrophobicContact CG2-CG2 3.95Å; V347-R435 PolarHBondContact N-O 3.27Å; V347-V436 HydrophobicContact CB-CG2 4.3Å; V347-V436 CarbonylContact O-C 3.35Å; V347-V436 WeakPolarHBondContact O-CA 3.35Å; V347-T437 PolarHBondContact O-N 2.9Å
348	V	96.7	Very high	89.7	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117	-176	-175.5	0	0	0	0	109.1	V332 F346 V350 I403 I404 V405 T437 L439	V332-V348 HydrophobicContact CG2-CG1 4.19Å; V332-V348 HydrophobicContact CG2-CG2 4.42Å; F346-V348 HydrophobicContact CB-CG2 4.47Å; V348-V350 HydrophobicContact CG1-CG1 4.27Å; V348-I403 PolarHBondContact N-O 2.95Å; V348-I404 WeakPolarHBondContact O-CA 3.43Å; V348-V405 PolarHBondContact O-N 3.2Å; V348-T437 WeakPolarHBondContact CA-O 3.38Å; V348-L439 HydrophobicContact CG1-CD1 3.96Å; V348-L439 HydrophobicContact CG1-CD2 4.21Å; V348-L439 HydrophobicContact CG1-CG 3.9Å
349	E	97.2	Very high	90.2	Very high	45 Å²	45	28.9 Å²	28.9	21%	0.21	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.2	178.4	-168.4	-178.9	112.9	0	0	110.4	V405 S419 T437 V438 L439	E349-V405 WeakPolarHBondContact CA-O 3.45Å; E349-S419 VanDerWaalsContact OE2-CB 3.31Å; E349-S419 WeakPolarHBondContact OE2-CB 3.4Å; E349-S419 PolarHBondContact OE2-OG 3.43Å; E349-T437 PolarHBondContact N-O 2.98Å; E349-V438 HydrophobicContact CB-CB 4.39Å; E349-V438 HydrophobicContact CB-CG1 4.37Å; E349-V438 HydrophobicContact CB-CG2 4.07Å; E349-L439 PolarHBondContact O-N 3.32Å
350	V	96	Very high	90.8	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.7	-175.9	-57.2	0	0	0	0	111.2	I328 V348 A359 I404 V405 E407 L439	I328-V350 HydrophobicContact CD1-CB 4.15Å; I328-V350 HydrophobicContact CD1-CG1 4.17Å; I328-V350 HydrophobicContact CG1-CG1 4.21Å; I328-V350 HydrophobicContact CG2-CG1 3.83Å; V348-V350 HydrophobicContact CG1-CG1 4.27Å; V350-A359 HydrophobicContact CG2-CB 3.57Å; V350-I404 HydrophobicContact CG1-CG2 3.92Å; V350-I404 HydrophobicContact CG2-CG2 3.77Å; V350-V405 PolarHBondContact N-O 2.8Å; V350-E407 PolarHBondContact O-N 2.84Å; V350-L439 HydrophobicContact CG1-CD1 4.15Å
351	M	93.8	Very high	91.4	Very high	14 Å²	14	26.2 Å²	26.2	7%	0.069	13%	0.127	C	C	.	.			trans	-73.3	171.6	175.4	-79	176	146.4	0	0	111.7	I308 L358 E407 Q443 R444	I308-M351 HydrophobicContact CD1-CB 3.89Å; I308-M351 HydrophobicContact CD1-SD 4.06Å; M351-L358 HydrophobicContact CB-CD1 4.45Å; M351-L358 WeakPolarHBondContact O-CB 3.38Å; M351-L358 WeakPolarHBondContact O-CD1 3.2Å; M351-E407 VanDerWaalsContact CA-OE1 3.26Å; M351-E407 WeakPolarHBondContact CA-OE1 3.4Å; M351-E407 WeakPolarHBondContact CB-OE1 3.24Å; M351-Q443 HydrophobicContact SD-CB 4.33Å; M351-R444 HydrophobicContact SD-CG 4.09Å; M351-R444 PolarHBondContact SD-NE 2.89Å
352	G	85.8	Confident	92	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.01	10%	0.1	C	C	.	.			trans	149.1	-4.3	-179.6	0	0	0	0	0	113.3	D309 H354 C355 E407	D309-G352 VanDerWaalsContact OD1-CA 3.23Å; D309-G352 WeakPolarHBondContact OD1-CA 3Å; D309-G352 PolarHBondContact OD1-N 3.42Å; G352-H354 PolarHBondContact O-N 3.19Å; G352-C355 WeakPolarHBondContact O-CA 3.43Å; G352-C355 VanDerWaalsContact O-CB 3.26Å; G352-C355 WeakPolarHBondContact O-CB 3.39Å; G352-C355 PolarHBondContact O-N 3.14Å; G352-E407 PolarHBondContact N-OE1 3.24Å
353	R	84.1	Confident	92.5	Very high	40 Å²	40	17.2 Å²	17.2	15%	0.151	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	-86.3	-176.2	-172.1	-168.7	-55.6	-149.1	-5.1	114.8	D245 D309 E407 G408	D245-R353 PolarHBondContact O-NH1 2.86Å; D245-R353 IonicContact OD1-CZ 2.68Å; D245-R353 IonicContact OD1-NE 3.61Å; D245-R353 PolarHBondContact OD1-NE 3.46Å; D245-R353 IonicContact OD1-NH1 3.88Å; D245-R353 PolarHBondContact OD1-NH1 3.31Å; D245-R353 IonicContact OD1-NH2 2.82Å; D245-R353 PolarHBondContact OD1-NH2 3.43Å; D245-R353 WeakPolarHBondContact OD2-CD 3.41Å; D245-R353 IonicContact OD2-CZ 3.15Å; D245-R353 IonicContact OD2-NE 3.56Å; D245-R353 PolarHBondContact OD2-NE 2.87Å; D245-R353 IonicContact OD2-NH1 3.43Å; D245-R353 PolarHBondContact OD2-NH1 2.97Å; D245-R353 IonicContact OD2-NH2 3.87Å; D309-R353 IonicContact OD2-NE 2.66Å; R353-E407 WeakPolarHBondContact CA-OE1 3.36Å; R353-E407 PolarHBondContact N-OE1 3.33Å; R353-G408 WeakPolarHBondContact O-CA 3.25Å; R353-G408 PolarHBondContact O-N 3.32Å
354	H	84.1	Confident	93	Very high	78 Å²	78	12.9 Å²	12.9	36%	0.361	6%	0.057	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124	14.1	176.6	-55.6	-47.9	0	0	0	111.1	W258 G352 P374 R517	W258-H354 AromaticContact CE3-NE2 3.79Å; W258-H354 AromaticContact CZ3-CE1 3.79Å; W258-H354 AromaticContact CZ3-NE2 3.34Å; W258-H354 VanDerWaalsContact CZ3-NE2 3.34Å; W258-H354 WeakPolarHBondContact CZ3-NE2 3.33Å; G352-H354 PolarHBondContact O-N 3.19Å; H354-P374 WeakPolarHBondContact O-CG 3.44Å; H354-R517 PolarHBondContact O-NH2 3.26Å
355	C	89.9	Confident	93.2	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.007	5%	0.047	C	C	.	.			trans	-113.2	123.9	178.3	-168.6	0	0	0	0	110.3	D309 D311 G352 Y357 E375	D309-C355 VanDerWaalsContact O-CB 3.29Å; D309-C355 WeakPolarHBondContact O-CB 3.28Å; D309-C355 PolarHBondContact O-SG 2.91Å; D311-C355 HydrophobicContact CB-CB 3.88Å; G352-C355 WeakPolarHBondContact O-CA 3.43Å; G352-C355 VanDerWaalsContact O-CB 3.26Å; G352-C355 WeakPolarHBondContact O-CB 3.39Å; G352-C355 PolarHBondContact O-N 3.14Å; C355-Y357 PolarHBondContact O-N 3.4Å; C355-Y357 VanDerWaalsContact SG-CB 3.58Å; C355-E375 WeakPolarHBondContact CA-OE1 3.31Å
356	G	93	Very high	93.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.048	C	C	.	.			trans	-78.8	2.6	175.3	0	0	0	0	0	114.9	L358 A359 L360 E375	G356-L358 PolarHBondContact O-N 3.05Å; G356-A359 PolarHBondContact O-N 2.84Å; G356-L360 VanDerWaalsContact O-CB 3.25Å; G356-L360 WeakPolarHBondContact O-CB 3.39Å; G356-L360 PolarHBondContact O-N 3.42Å; G356-E375 VanDerWaalsContact CA-OE2 3.31Å; G356-E375 WeakPolarHBondContact CA-OE2 3.4Å; G356-E375 PolarHBondContact N-OE1 3.16Å; G356-E375 PolarHBondContact N-OE2 3.22Å
357	Y	94.3	Very high	92.9	Very high	10 Å²	10	10.7 Å²	10.7	4%	0.039	5%	0.049	C	C	.	.	H	α-helix	trans	-60.2	-48.6	-169	-173.9	-89.7	0	0	0	112.8	N310 M317 T321 L325 C355 A359 L360 V361 F521	N310-Y357 HydrophobicContact CB-CD1 3.68Å; N310-Y357 HydrophobicContact CB-CE1 4.23Å; N310-Y357 HydrophobicContact CB-CG 3.89Å; N310-Y357 WeakPolarHBondContact ND2-CE1 3.09Å; N310-Y357 WeakPolarHBondContact ND2-CE2 3.36Å; N310-Y357 VanDerWaalsContact ND2-CZ 3.29Å; M317-Y357 HydrophobicContact CE-CE1 4.35Å; M317-Y357 WeakPolarHBondContact CE-OH 3.22Å; M317-Y357 HydrophobicContact SD-CE1 4.07Å; T321-Y357 HydrophobicContact CG2-CD1 3.89Å; T321-Y357 HydrophobicContact CG2-CE1 3.81Å; L325-Y357 HydrophobicContact CD1-CE1 4.41Å; C355-Y357 PolarHBondContact O-N 3.4Å; C355-Y357 VanDerWaalsContact SG-CB 3.58Å; Y357-A359 PolarHBondContact O-N 3Å; Y357-L360 PolarHBondContact O-N 3.4Å; Y357-V361 HydrophobicContact CD1-CG2 4.2Å; Y357-V361 HydrophobicContact CD2-CG2 4.48Å; Y357-V361 HydrophobicContact CE1-CG2 3.79Å; Y357-V361 HydrophobicContact CE2-CG2 4.13Å; Y357-V361 WeakPolarHBondContact O-CG2 3.5Å; Y357-V361 PolarHBondContact O-N 3.33Å; Y357-F521 AromaticContact CD2-CD2 4Å; Y357-F521 HydrophobicContact CD2-CD2 4Å
358	L	95	Very high	92.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-59	-48.6	177.6	-73.1	-180	0	0	0	111.4	I308 T321 A324 L325 I328 M351 G356 A362	I308-L358 HydrophobicContact CB-CD1 4.5Å; I308-L358 HydrophobicContact CD1-CD1 4.3Å; I308-L358 HydrophobicContact CG1-CD1 4.42Å; I308-L358 VanDerWaalsContact O-CD1 3.31Å; I308-L358 WeakPolarHBondContact O-CD1 3.24Å; I308-L358 WeakPolarHBondContact O-CD2 3.38Å; I308-L358 WeakPolarHBondContact O-CG 3.49Å; T321-L358 HydrophobicContact CG2-CD2 3.94Å; A324-L358 HydrophobicContact CB-CD1 4.35Å; A324-L358 HydrophobicContact CB-CD2 4.08Å; L325-L358 HydrophobicContact CD2-CD2 3.71Å; L325-L358 HydrophobicContact CG-CD2 3.71Å; I328-L358 HydrophobicContact CD1-CB 3.97Å; I328-L358 HydrophobicContact CD1-CD1 4.35Å; I328-L358 HydrophobicContact CD1-CD2 4.19Å; I328-L358 HydrophobicContact CD1-CG 4.41Å; M351-L358 HydrophobicContact CB-CD1 4.45Å; M351-L358 WeakPolarHBondContact O-CB 3.38Å; M351-L358 WeakPolarHBondContact O-CD1 3.2Å; G356-L358 PolarHBondContact O-N 3.05Å; L358-A362 WeakPolarHBondContact O-CB 3.5Å; L358-A362 PolarHBondContact O-N 2.86Å
359	A	96.5	Very high	92.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-61.4	-44.1	177.9	0	0	0	0	0	113.1	V350 G356 Y357 A363 I373 I404 A406	V350-A359 HydrophobicContact CG2-CB 3.57Å; G356-A359 PolarHBondContact O-N 2.84Å; Y357-A359 PolarHBondContact O-N 3Å; A359-A363 WeakPolarHBondContact O-CB 3.26Å; A359-A363 PolarHBondContact O-N 2.94Å; A359-I373 HydrophobicContact CB-CG2 3.78Å; A359-I404 HydrophobicContact CB-CG2 3.85Å; A359-A406 HydrophobicContact CB-CB 3.9Å
360	L	95.6	Very high	92.1	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-66.3	-45.7	-179.1	174.5	59.4	0	0	0	112.2	G356 Y357 A363 L364 I373 F521 N524 L525 Y528	G356-L360 VanDerWaalsContact O-CB 3.25Å; G356-L360 WeakPolarHBondContact O-CB 3.39Å; G356-L360 PolarHBondContact O-N 3.42Å; Y357-L360 PolarHBondContact O-N 3.4Å; L360-A363 PolarHBondContact O-N 3.45Å; L360-L364 WeakPolarHBondContact O-CG 3.34Å; L360-L364 PolarHBondContact O-N 3.26Å; L360-L364 VanDerWaalsContact O-N 3.13Å; L360-I373 HydrophobicContact CB-CG2 4.48Å; L360-F521 HydrophobicContact CD2-CD1 4.21Å; L360-F521 HydrophobicContact CD2-CE1 3.99Å; L360-F521 HydrophobicContact CD2-CE2 4.46Å; L360-F521 HydrophobicContact CD2-CZ 4.11Å; L360-N524 HydrophobicContact CD2-CB 3.76Å; L360-N524 HydrophobicContact CG-CB 4.02Å; L360-L525 HydrophobicContact CD1-CD1 4.25Å; L360-L525 HydrophobicContact CD2-CB 4.04Å; L360-Y528 HydrophobicContact CD1-CD1 4.19Å; L360-Y528 HydrophobicContact CD1-CD2 4.37Å; L360-Y528 HydrophobicContact CD1-CG 3.81Å
361	V	95.1	Very high	92.1	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.012	5%	0.048	C	C	.	.	H	α-helix	trans	-71.6	-39.8	178.7	175	0	0	0	0	111.1	L325 Y357 A363 L364 A365 N524 N822	L325-V361 HydrophobicContact CD1-CB 4.22Å; L325-V361 HydrophobicContact CD1-CG1 3.66Å; L325-V361 HydrophobicContact CD2-CB 3.9Å; L325-V361 HydrophobicContact CD2-CG1 3.87Å; L325-V361 HydrophobicContact CG-CG1 4.42Å; Y357-V361 HydrophobicContact CD1-CG2 4.2Å; Y357-V361 HydrophobicContact CD2-CG2 4.48Å; Y357-V361 HydrophobicContact CE1-CG2 3.79Å; Y357-V361 HydrophobicContact CE2-CG2 4.13Å; Y357-V361 WeakPolarHBondContact O-CG2 3.5Å; Y357-V361 PolarHBondContact O-N 3.33Å; V361-A363 VanDerWaalsContact C-N 3.33Å; V361-A363 PolarHBondContact O-N 3.18Å; V361-L364 PolarHBondContact O-N 3.28Å; V361-A365 WeakPolarHBondContact O-CB 3.4Å; V361-A365 PolarHBondContact O-N 2.99Å; V361-N524 WeakPolarHBondContact CG2-ND2 3.28Å; V361-N822 HydrophobicContact CG1-CB 4.25Å; V361-N822 WeakPolarHBondContact CG1-ND2 3.37Å
362	A	96	Very high	92.2	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-58.7	-45.7	173	0	0	0	0	0	111.3	I328 I329 L358 L364 A365 S366 I404	I328-A362 HydrophobicContact CG2-CB 3.59Å; I329-A362 HydrophobicContact CD1-CB 4.41Å; L358-A362 WeakPolarHBondContact O-CB 3.5Å; L358-A362 PolarHBondContact O-N 2.86Å; A362-L364 PolarHBondContact O-N 3.48Å; A362-A365 PolarHBondContact O-N 2.91Å; A362-A365 VanDerWaalsContact O-N 3.16Å; A362-S366 WeakPolarHBondContact O-CB 3.4Å; A362-S366 PolarHBondContact O-N 3.38Å; A362-S366 PolarHBondContact O-OG 2.61Å; A362-S366 VanDerWaalsContact O-OG 3.14Å; A362-I404 HydrophobicContact CB-CD1 3.77Å
363	A	94.6	Very high	92.7	Very high	2 Å²	2	9.9 Å²	9.9	2%	0.017	5%	0.045	C	C	.	.	H	α-helix	trans	-63.3	-38.5	-179.7	0	0	0	0	0	113.2	A359 L360 V361 E367 A368 A371 I404 Y528	A359-A363 WeakPolarHBondContact O-CB 3.26Å; A359-A363 PolarHBondContact O-N 2.94Å; L360-A363 PolarHBondContact O-N 3.45Å; V361-A363 VanDerWaalsContact C-N 3.33Å; V361-A363 PolarHBondContact O-N 3.18Å; A363-E367 PolarHBondContact O-N 2.85Å; A363-A368 HydrophobicContact CB-CB 3.85Å; A363-A368 PolarHBondContact O-N 3.21Å; A363-A371 HydrophobicContact CB-CB 3.72Å; A363-I404 HydrophobicContact CB-CD1 4.15Å; A363-Y528 HydrophobicContact CB-CD2 4.08Å; A363-Y528 HydrophobicContact CB-CE2 3.65Å
364	L	92.6	Very high	93.1	Very high	5 Å²	5	8 Å²	8	3%	0.026	4%	0.038	C	C	.	.	H	α-helix	trans	-63.2	-45.8	171.6	-78.7	169.8	0	0	0	112.3	L360 V361 A362 N524 T527 Y528 L531 T825	L360-L364 WeakPolarHBondContact O-CG 3.34Å; L360-L364 PolarHBondContact O-N 3.26Å; L360-L364 VanDerWaalsContact O-N 3.13Å; V361-L364 PolarHBondContact O-N 3.28Å; A362-L364 PolarHBondContact O-N 3.48Å; L364-N524 HydrophobicContact CD1-CB 3.81Å; L364-T527 HydrophobicContact CD2-CG2 4.07Å; L364-Y528 HydrophobicContact CD2-CD2 4.35Å; L364-Y528 HydrophobicContact CG-CD2 4.37Å; L364-L531 HydrophobicContact CD2-CD1 4.31Å; L364-T825 HydrophobicContact CD2-CG2 4.34Å
365	A	93	Very high	93.5	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-74.8	-33.5	-174.9	0	0	0	0	0	113.4	I329 V361 A362 S608 R821	I329-A365 HydrophobicContact CD1-CB 3.76Å; I329-A365 HydrophobicContact CG1-CB 4.31Å; V361-A365 WeakPolarHBondContact O-CB 3.4Å; V361-A365 PolarHBondContact O-N 2.99Å; A362-A365 PolarHBondContact O-N 2.91Å; A362-A365 VanDerWaalsContact O-N 3.16Å; A365-S608 PolarHBondContact O-OG 3.49Å; A365-R821 HydrophobicContact CB-CB 3.84Å; A365-R821 WeakPolarHBondContact O-CD 3.32Å
366	S	91.1	Very high	93.6	Very high	2 Å²	2	7.8 Å²	7.8	1%	0.014	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	7.5	-177.9	82.7	0	0	0	0	114.9	A362 A368	A362-S366 WeakPolarHBondContact O-CB 3.4Å; A362-S366 PolarHBondContact O-N 3.38Å; A362-S366 PolarHBondContact O-OG 2.61Å; A362-S366 VanDerWaalsContact O-OG 3.14Å; S366-A368 VanDerWaalsContact C-N 3.31Å; S366-A368 PolarHBondContact O-N 3.23Å
367	E	89.8	Confident	93.6	Very high	21 Å²	21	8 Å²	8	10%	0.098	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	30.2	-176.4	-42	-161	-166.5	0	0	115.7	A363 D369 R568 N606 W607 S608	A363-E367 PolarHBondContact O-N 2.85Å; E367-D369 PolarHBondContact O-N 3.08Å; E367-R568 VanDerWaalsContact CB-NH2 3.3Å; E367-R568 VanDerWaalsContact CD-CD 3.49Å; E367-R568 VanDerWaalsContact CD-CZ 3.4Å; E367-R568 VanDerWaalsContact CG-CZ 3.49Å; E367-R568 VanDerWaalsContact CG-NH2 3.3Å; E367-R568 WeakPolarHBondContact OE1-CD 3.38Å; E367-R568 IonicContact OE1-CZ 2.72Å; E367-R568 IonicContact OE1-NE 3.21Å; E367-R568 PolarHBondContact OE1-NE 3.14Å; E367-R568 VanDerWaalsContact OE1-NE 3.16Å; E367-R568 IonicContact OE2-CZ 3.96Å; E367-R568 VanDerWaalsContact OE2-CZ 3.31Å; E367-R568 IonicContact OE2-NE 3.71Å; E367-R568 PolarHBondContact OE2-NE 2.7Å; E367-R568 IonicContact OE2-NH2 3.23Å; E367-R568 PolarHBondContact OE2-NH2 2.84Å; E367-R568 VanDerWaalsContact OE2-NH2 3.17Å; E367-N606 WeakPolarHBondContact OE1-CA 3.41Å; E367-N606 PolarHBondContact OE1-N 2.74Å; E367-N606 VanDerWaalsContact OE1-N 3.17Å; E367-N606 PolarHBondContact OE2-N 2.6Å; E367-W607 PolarHBondContact OE1-N 3.32Å; E367-S608 VanDerWaalsContact CG-OG 3.22Å; E367-S608 WeakPolarHBondContact CG-OG 3.4Å; E367-S608 WeakPolarHBondContact OE1-CB 3.45Å; E367-S608 PolarHBondContact OE1-N 3.13Å; E367-S608 PolarHBondContact OE1-OG 3.15Å
368	A	91.2	Very high	93.5	Very high	4 Å²	4	7.8 Å²	7.8	3%	0.033	4%	0.035	C	C	.	.			trans	-59.7	137.4	-174.7	0	0	0	0	0	113	A363 S366 W370 I402 I404	A363-A368 HydrophobicContact CB-CB 3.85Å; A363-A368 PolarHBondContact O-N 3.21Å; S366-A368 VanDerWaalsContact C-N 3.31Å; S366-A368 PolarHBondContact O-N 3.23Å; A368-W370 VanDerWaalsContact C-N 3.33Å; A368-W370 PolarHBondContact O-N 2.8Å; A368-I402 CarbonylContact C-O 3.54Å; A368-I402 HydrophobicContact CB-CB 4.42Å; A368-I402 HydrophobicContact CB-CG2 4.16Å; A368-I404 HydrophobicContact CB-CD1 4.04Å; A368-I404 HydrophobicContact CB-CG1 3.97Å
369	D	90.5	Very high	93.2	Very high	11 Å²	11	9.2 Å²	9.2	6%	0.059	5%	0.045	C	C	.	.	S	Bend	trans	-65.9	-37	179.3	-59.2	-95.1	0	0	0	111.8	E367 K389 L390 Q398 N401 I402	E367-D369 PolarHBondContact O-N 3.08Å; D369-K389 VanDerWaalsContact O-CE 3.27Å; D369-K389 WeakPolarHBondContact O-CE 3.39Å; D369-K389 PolarHBondContact O-NZ 3.46Å; D369-L390 HydrophobicContact CB-CD2 3.86Å; D369-Q398 PolarHBondContact OD1-NE2 3.21Å; D369-Q398 PolarHBondContact OD2-NE2 2.96Å; D369-N401 PolarHBondContact OD1-ND2 3.49Å; D369-N401 WeakPolarHBondContact OD2-CA 3.4Å; D369-I402 PolarHBondContact N-O 3.5Å; D369-I402 PolarHBondContact OD2-N 2.8Å
370	W	93	Very high	92.9	Very high	23 Å²	23	14.5 Å²	14.5	9%	0.087	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	152	177.1	-156.4	-82.6	0	0	0	111.8	A368 F372 P378 I385 L386 K389 I403 I404 Y528	A368-W370 VanDerWaalsContact C-N 3.33Å; A368-W370 PolarHBondContact O-N 2.8Å; W370-F372 AromaticContact CD1-CD2 3.62Å; W370-F372 AromaticContact CD1-CE2 3.34Å; W370-F372 AromaticContact CD1-CZ 3.66Å; W370-F372 HydrophobicContact CG-CE2 4.24Å; W370-F372 AromaticContact NE1-CE1 3.92Å; W370-F372 AromaticContact NE1-CE2 3.91Å; W370-F372 AromaticContact NE1-CZ 3.76Å; W370-P378 HydrophobicContact CZ2-CB 4.5Å; W370-I385 HydrophobicContact CH2-CG2 3.7Å; W370-I385 HydrophobicContact CZ3-CG2 3.83Å; W370-L386 HydrophobicContact CB-CD1 3.74Å; W370-L386 HydrophobicContact CD2-CD1 4.14Å; W370-L386 HydrophobicContact CE3-CD1 4.3Å; W370-L386 HydrophobicContact CG-CD1 3.9Å; W370-K389 HydrophobicContact CE3-CD 3.57Å; W370-K389 HydrophobicContact CZ3-CD 3.85Å; W370-I403 HydrophobicContact CB-CG1 4.5Å; W370-I403 HydrophobicContact CB-CG2 4.25Å; W370-I403 CarbonylContact O-C 3.43Å; W370-I403 WeakPolarHBondContact O-CA 3.35Å; W370-I404 PolarHBondContact O-N 3.41Å; W370-Y528 VanDerWaalsContact C-OH 3.29Å; W370-Y528 VanDerWaalsContact CA-OH 3.31Å; W370-Y528 WeakPolarHBondContact CA-OH 3.33Å
371	A	95.2	Very high	92.6	Very high	3 Å²	3	18.5 Å²	18.5	3%	0.025	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	125.5	179.6	0	0	0	0	0	108.5	A363 I404 Y528	A363-A371 HydrophobicContact CB-CB 3.72Å; A371-I404 CarbonylContact C-O 3.49Å; A371-I404 VanDerWaalsContact CA-O 3.25Å; A371-I404 WeakPolarHBondContact CA-O 3.36Å; A371-Y528 HydrophobicContact CB-CE1 4.18Å; A371-Y528 HydrophobicContact CB-CE2 3.94Å; A371-Y528 WeakPolarHBondContact CB-OH 3.38Å; A371-Y528 PolarHBondContact N-OH 3.07Å
372	F	96	Very high	92.5	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.009	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.5	174.3	-68	-94.7	0	0	0	108.9	W370 P378 W382 L386 I403 I404 V405 A406 A409 I417 V422	W370-F372 AromaticContact CD1-CD2 3.62Å; W370-F372 AromaticContact CD1-CE2 3.34Å; W370-F372 AromaticContact CD1-CZ 3.66Å; W370-F372 HydrophobicContact CG-CE2 4.24Å; W370-F372 AromaticContact NE1-CE1 3.92Å; W370-F372 AromaticContact NE1-CE2 3.91Å; W370-F372 AromaticContact NE1-CZ 3.76Å; F372-P378 HydrophobicContact CD1-CG 3.96Å; F372-P378 HydrophobicContact CE1-CB 4.35Å; F372-P378 HydrophobicContact CE1-CG 3.92Å; F372-W382 AromaticContact CE1-CD2 3.99Å; F372-W382 HydrophobicContact CE1-CD2 3.99Å; F372-W382 AromaticContact CE1-CE3 3.73Å; F372-W382 HydrophobicContact CE1-CE3 3.73Å; F372-W382 HydrophobicContact CE1-CH2 4.5Å; F372-W382 HydrophobicContact CE1-CZ3 4.01Å; F372-W382 HydrophobicContact CZ-CD2 4.32Å; F372-W382 AromaticContact CZ-CE3 3.59Å; F372-W382 HydrophobicContact CZ-CE3 3.59Å; F372-W382 HydrophobicContact CZ-CH2 4.4Å; F372-W382 AromaticContact CZ-CZ3 3.65Å; F372-W382 HydrophobicContact CZ-CZ3 3.65Å; F372-L386 HydrophobicContact CZ-CD2 4.26Å; F372-I403 HydrophobicContact CD2-CG2 3.96Å; F372-I403 HydrophobicContact CE2-CG2 3.72Å; F372-I404 PolarHBondContact N-O 3.46Å; F372-V405 HydrophobicContact CB-CG1 4.4Å; F372-V405 HydrophobicContact CD2-CG2 3.94Å; F372-A406 WeakPolarHBondContact O-CB 3.42Å; F372-A406 PolarHBondContact O-N 2.7Å; F372-A409 HydrophobicContact CB-CB 3.8Å; F372-I417 HydrophobicContact CD1-CD1 3.84Å; F372-I417 HydrophobicContact CD1-CG2 4.04Å; F372-I417 HydrophobicContact CE1-CD1 4.12Å; F372-I417 HydrophobicContact CE1-CG2 4.2Å; F372-V422 HydrophobicContact CD2-CG2 4.27Å; F372-V422 HydrophobicContact CE2-CG1 4.01Å; F372-V422 HydrophobicContact CE2-CG2 3.82Å; F372-V422 HydrophobicContact CZ-CG1 4.49Å; F372-V422 HydrophobicContact CZ-CG2 3.96Å
373	I	95.3	Very high	92.4	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.015	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-129.8	142	-178.5	60.9	169.4	0	0	0	111.7	A359 L360 E375 W376 F521 L525	A359-I373 HydrophobicContact CB-CG2 3.78Å; L360-I373 HydrophobicContact CB-CG2 4.48Å; I373-E375 VanDerWaalsContact C-N 3.32Å; I373-E375 PolarHBondContact O-N 2.91Å; I373-W376 HydrophobicContact CD1-CB 3.94Å; I373-W376 HydrophobicContact CG1-CB 3.92Å; I373-W376 CarbonylContact O-C 3.55Å; I373-W376 PolarHBondContact O-N 3.18Å; I373-F521 HydrophobicContact CD1-CE1 4.44Å; I373-F521 HydrophobicContact CD1-CZ 4.25Å; I373-L525 HydrophobicContact CD1-CD1 3.88Å
374	P	93.6	Very high	92.3	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-33.2	-179.2	11.8	-21.6	0	0	0	114.7	H354 W376 P377 G408 M505	H354-P374 WeakPolarHBondContact O-CG 3.44Å; P374-W376 VanDerWaalsContact C-N 3.3Å; P374-W376 PolarHBondContact O-N 3.08Å; P374-P377 WeakPolarHBondContact O-CD 3.36Å; P374-P377 WeakPolarHBondContact O-CG 3.2Å; P374-G408 VanDerWaalsContact CB-O 3.32Å; P374-G408 WeakPolarHBondContact CB-O 3.37Å; P374-M505 HydrophobicContact CB-CE 3.62Å
375	E	92.5	Very high	92.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-12.5	-177.8	-60.8	87.6	165.5	0	0	113.9	C355 G356 I373 V514 R517 F521	C355-E375 WeakPolarHBondContact CA-OE1 3.31Å; G356-E375 VanDerWaalsContact CA-OE2 3.31Å; G356-E375 WeakPolarHBondContact CA-OE2 3.4Å; G356-E375 PolarHBondContact N-OE1 3.16Å; G356-E375 PolarHBondContact N-OE2 3.22Å; I373-E375 VanDerWaalsContact C-N 3.32Å; I373-E375 PolarHBondContact O-N 2.91Å; E375-V514 HydrophobicContact CB-CG2 3.83Å; E375-V514 VanDerWaalsContact O-CG2 3.31Å; E375-V514 WeakPolarHBondContact O-CG2 3.43Å; E375-R517 HydrophobicContact CG-CG 4.25Å; E375-R517 IonicContact OE1-CZ 2.74Å; E375-R517 VanDerWaalsContact OE1-CZ 3.23Å; E375-R517 IonicContact OE1-NE 2.64Å; E375-R517 PolarHBondContact OE1-NE 3.22Å; E375-R517 IonicContact OE1-NH2 3.64Å; E375-R517 PolarHBondContact OE1-NH2 3.48Å; E375-F521 HydrophobicContact CB-CE1 3.96Å; E375-F521 HydrophobicContact CB-CZ 3.87Å; E375-F521 VanDerWaalsContact CD-CZ 3.49Å; E375-F521 HydrophobicContact CG-CE1 4.28Å; E375-F521 HydrophobicContact CG-CE2 4.48Å; E375-F521 HydrophobicContact CG-CZ 3.86Å; E375-F521 WeakPolarHBondContact OE2-CZ 3.29Å
376	W	92.4	Very high	92.2	Very high	74 Å²	74	29.1 Å²	29.1	28%	0.28	15%	0.148	S	C	.	.	B	Isolated β-bridge	trans	-137.4	73.3	174.1	-174.9	54.8	0	0	0	110.4	I373 P374 L525 Y528 K529	I373-W376 HydrophobicContact CD1-CB 3.94Å; I373-W376 HydrophobicContact CG1-CB 3.92Å; I373-W376 CarbonylContact O-C 3.55Å; I373-W376 PolarHBondContact O-N 3.18Å; P374-W376 VanDerWaalsContact C-N 3.3Å; P374-W376 PolarHBondContact O-N 3.08Å; W376-L525 HydrophobicContact CB-CD1 4.22Å; W376-L525 HydrophobicContact CB-CD2 4.04Å; W376-L525 HydrophobicContact CD2-CD1 4.14Å; W376-L525 HydrophobicContact CE3-CD1 3.96Å; W376-L525 HydrophobicContact CG-CD1 4.26Å; W376-L525 HydrophobicContact CG-CD2 4.29Å; W376-Y528 HydrophobicContact CZ3-CE1 4.08Å; W376-K529 HydrophobicContact CH2-CG 4.14Å; W376-K529 HydrophobicContact CZ2-CD 4.43Å; W376-K529 HydrophobicContact CZ2-CG 4.22Å
377	P	92.7	Very high	92.3	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.026	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-59	138.9	178.4	-27.4	38.8	0	0	0	111.7	P374 L410 R412 W510	P374-P377 WeakPolarHBondContact O-CD 3.36Å; P374-P377 WeakPolarHBondContact O-CG 3.2Å; P377-L410 WeakPolarHBondContact CB-O 3.34Å; P377-R412 HydrophobicContact CB-CG 4.02Å; P377-W510 HydrophobicContact CG-CD2 3.64Å; P377-W510 HydrophobicContact CG-CE3 3.64Å; P377-W510 HydrophobicContact CG-CG 4.34Å; P377-W510 HydrophobicContact CG-CH2 3.85Å; P377-W510 HydrophobicContact CG-CZ2 3.83Å; P377-W510 HydrophobicContact CG-CZ3 3.75Å
378	P	92.2	Very high	92.4	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.032	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-69.5	161.7	-176.3	37	-40.9	0	0	0	110.3	W370 F372 W382 L410 R412 I417	W370-P378 HydrophobicContact CZ2-CB 4.5Å; F372-P378 HydrophobicContact CD1-CG 3.96Å; F372-P378 HydrophobicContact CE1-CB 4.35Å; F372-P378 HydrophobicContact CE1-CG 3.92Å; P378-W382 HydrophobicContact CB-CB 3.67Å; P378-W382 HydrophobicContact CB-CG 4.14Å; P378-W382 HydrophobicContact CG-CB 4.07Å; P378-W382 HydrophobicContact CG-CG 3.98Å; P378-L410 WeakPolarHBondContact CD-O 3.49Å; P378-R412 WeakPolarHBondContact O-CG 3.41Å; P378-R412 PolarHBondContact O-NE 2.67Å; P378-I417 HydrophobicContact CG-CD1 3.63Å
379	P	89.3	Confident	92.3	Very high	31 Å²	31	34.9 Å²	34.9	20%	0.201	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-67.9	168.5	178.4	35	-40	0	0	0	111.7	D381 W382 I385	P379-D381 VanDerWaalsContact C-N 3.26Å; P379-D381 VanDerWaalsContact CB-OD1 3.25Å; P379-D381 WeakPolarHBondContact CB-OD1 3.49Å; P379-D381 WeakPolarHBondContact CG-OD1 3.48Å; P379-D381 PolarHBondContact O-N 3.15Å; P379-W382 VanDerWaalsContact O-CB 3.25Å; P379-W382 WeakPolarHBondContact O-CB 3.28Å; P379-W382 VanDerWaalsContact O-CD1 3.27Å; P379-W382 PolarHBondContact O-N 2.76Å; P379-I385 HydrophobicContact CG-CD1 3.57Å
380	V	89.3	Confident	92.3	Very high	111 Å²	111	34.4 Å²	34.4	67%	0.673	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-36.4	-172.7	-179.1	0	0	0	0	111.9	W382	V380-W382 PolarHBondContact O-N 2.95Å
381	D	90.1	Very high	92.1	Very high	84 Å²	84	37.3 Å²	37.3	45%	0.449	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	18.2	176	60.4	-24	0	0	0	113.7	P379 R383 D384 I385	P379-D381 VanDerWaalsContact C-N 3.26Å; P379-D381 VanDerWaalsContact CB-OD1 3.25Å; P379-D381 WeakPolarHBondContact CB-OD1 3.49Å; P379-D381 WeakPolarHBondContact CG-OD1 3.48Å; P379-D381 PolarHBondContact O-N 3.15Å; D381-R383 PolarHBondContact O-N 3.38Å; D381-D384 PolarHBondContact O-N 3.45Å; D381-I385 PolarHBondContact O-N 3.27Å; D381-I385 VanDerWaalsContact O-N 3.09Å; D381-I385 WeakPolarHBondContact OD1-CD1 3.21Å; D381-I385 WeakPolarHBondContact OD2-CD1 3.46Å
382	W	92.7	Very high	91.6	Very high	4 Å²	4	39 Å²	39	2%	0.015	19%	0.193	C	C	.	.	H	α-helix	trans	-55.5	-28.8	-178.4	71.5	-98	0	0	0	114.2	F372 P378 P379 V380 D384 L386 I417 V422 V425	F372-W382 AromaticContact CE1-CD2 3.99Å; F372-W382 HydrophobicContact CE1-CD2 3.99Å; F372-W382 AromaticContact CE1-CE3 3.73Å; F372-W382 HydrophobicContact CE1-CE3 3.73Å; F372-W382 HydrophobicContact CE1-CH2 4.5Å; F372-W382 HydrophobicContact CE1-CZ3 4.01Å; F372-W382 HydrophobicContact CZ-CD2 4.32Å; F372-W382 AromaticContact CZ-CE3 3.59Å; F372-W382 HydrophobicContact CZ-CE3 3.59Å; F372-W382 HydrophobicContact CZ-CH2 4.4Å; F372-W382 AromaticContact CZ-CZ3 3.65Å; F372-W382 HydrophobicContact CZ-CZ3 3.65Å; P378-W382 HydrophobicContact CB-CB 3.67Å; P378-W382 HydrophobicContact CB-CG 4.14Å; P378-W382 HydrophobicContact CG-CB 4.07Å; P378-W382 HydrophobicContact CG-CG 3.98Å; P379-W382 VanDerWaalsContact O-CB 3.25Å; P379-W382 WeakPolarHBondContact O-CB 3.28Å; P379-W382 VanDerWaalsContact O-CD1 3.27Å; P379-W382 PolarHBondContact O-N 2.76Å; V380-W382 PolarHBondContact O-N 2.95Å; W382-D384 VanDerWaalsContact C-N 3.32Å; W382-L386 HydrophobicContact CE3-CB 4.43Å; W382-L386 HydrophobicContact CE3-CD2 4.18Å; W382-L386 HydrophobicContact CZ3-CD2 3.87Å; W382-L386 WeakPolarHBondContact O-CB 3.47Å; W382-L386 PolarHBondContact O-N 3.2Å; W382-I417 HydrophobicContact CH2-CG2 4.43Å; W382-I417 HydrophobicContact CZ2-CG2 4.27Å; W382-V422 HydrophobicContact CH2-CG2 4.04Å; W382-V422 HydrophobicContact CZ3-CG2 4.25Å; W382-V425 HydrophobicContact CH2-CG2 4.13Å; W382-V425 HydrophobicContact CZ3-CG1 4.35Å
383	R	93.7	Very high	91.1	Very high	85 Å²	85	39 Å²	39	32%	0.321	19%	0.194	S	C	.	.	H	α-helix	trans	-64.6	-40.3	178.3	-63.2	-178.7	176.5	80.1	-3.5	111	D381 C387 V425 R429	D381-R383 PolarHBondContact O-N 3.38Å; R383-C387 WeakPolarHBondContact O-CB 3.49Å; R383-C387 PolarHBondContact O-N 3.47Å; R383-C387 PolarHBondContact O-SG 2.86Å; R383-V425 HydrophobicContact CB-CG1 3.85Å; R383-V425 HydrophobicContact CG-CG1 4.04Å; R383-V425 HydrophobicContact CG-CG2 3.93Å; R383-R429 VanDerWaalsContact C-NH1 3.26Å; R383-R429 PolarHBondContact O-NH1 3.2Å
384	D	93	Very high	90.6	Very high	88 Å²	88	41.3 Å²	41.3	47%	0.471	20%	0.202	S	C	.	.	H	α-helix	trans	-74.4	-47.8	179	-61.4	-77.7	0	0	0	110.2	D381 W382 L386 C387 Q388 R429	D381-D384 PolarHBondContact O-N 3.45Å; W382-D384 VanDerWaalsContact C-N 3.32Å; D384-L386 PolarHBondContact O-N 3.48Å; D384-C387 PolarHBondContact O-N 2.78Å; D384-Q388 WeakPolarHBondContact O-CB 3.36Å; D384-Q388 PolarHBondContact O-N 3.44Å; D384-R429 IonicContact OD1-CZ 3.65Å; D384-R429 IonicContact OD1-NH1 3.64Å; D384-R429 PolarHBondContact OD1-NH1 2.88Å; D384-R429 IonicContact OD1-NH2 2.7Å; D384-R429 IonicContact OD2-CZ 2.75Å; D384-R429 IonicContact OD2-NH1 3.73Å; D384-R429 PolarHBondContact OD2-NH1 3.41Å; D384-R429 VanDerWaalsContact OD2-NH1 3.14Å; D384-R429 IonicContact OD2-NH2 3.73Å
385	I	91.1	Very high	90.2	Very high	55 Å²	55	47.6 Å²	47.6	28%	0.282	23%	0.232	S	C	.	.	H	α-helix	trans	-61	-44	177.9	-63.6	166.3	0	0	0	111.6	W370 P379 D381 K389	W370-I385 HydrophobicContact CH2-CG2 3.7Å; W370-I385 HydrophobicContact CZ3-CG2 3.83Å; P379-I385 HydrophobicContact CG-CD1 3.57Å; D381-I385 PolarHBondContact O-N 3.27Å; D381-I385 VanDerWaalsContact O-N 3.09Å; D381-I385 WeakPolarHBondContact OD1-CD1 3.21Å; D381-I385 WeakPolarHBondContact OD2-CD1 3.46Å; I385-K389 WeakPolarHBondContact O-CB 3.27Å; I385-K389 PolarHBondContact O-N 3.33Å
386	L	92.3	Very high	89.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-47.7	175.6	178.3	66.7	0	0	0	110.4	W370 F372 W382 D384 K389 L390 I403 V422 I426	W370-L386 HydrophobicContact CB-CD1 3.74Å; W370-L386 HydrophobicContact CD2-CD1 4.14Å; W370-L386 HydrophobicContact CE3-CD1 4.3Å; W370-L386 HydrophobicContact CG-CD1 3.9Å; F372-L386 HydrophobicContact CZ-CD2 4.26Å; W382-L386 HydrophobicContact CE3-CB 4.43Å; W382-L386 HydrophobicContact CE3-CD2 4.18Å; W382-L386 HydrophobicContact CZ3-CD2 3.87Å; W382-L386 WeakPolarHBondContact O-CB 3.47Å; W382-L386 PolarHBondContact O-N 3.2Å; D384-L386 PolarHBondContact O-N 3.48Å; L386-K389 PolarHBondContact O-N 2.86Å; L386-L390 HydrophobicContact CD1-CD1 3.94Å; L386-L390 HydrophobicContact CD1-CD2 4.47Å; L386-L390 HydrophobicContact CD1-CG 4.01Å; L386-L390 HydrophobicContact CG-CD1 3.99Å; L386-L390 HydrophobicContact CG-CG 4.34Å; L386-L390 WeakPolarHBondContact O-CB 3.35Å; L386-L390 VanDerWaalsContact O-CG 3.28Å; L386-L390 WeakPolarHBondContact O-CG 3.11Å; L386-L390 PolarHBondContact O-N 3.17Å; L386-I403 HydrophobicContact CD1-CG1 4.45Å; L386-V422 HydrophobicContact CD2-CG1 4.08Å; L386-I426 HydrophobicContact CD2-CD1 4.27Å; L386-I426 HydrophobicContact CD2-CG1 4.16Å
387	C	92.7	Very high	89	Confident	10 Å²	10	49.5 Å²	49.5	7%	0.068	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-45.6	-177.6	-69.8	0	0	0	0	112	R383 D384 K389 L390 H391 R429 L430	R383-C387 WeakPolarHBondContact O-CB 3.49Å; R383-C387 PolarHBondContact O-N 3.47Å; R383-C387 PolarHBondContact O-SG 2.86Å; D384-C387 PolarHBondContact O-N 2.78Å; C387-K389 VanDerWaalsContact C-N 3.32Å; C387-K389 PolarHBondContact O-N 3.49Å; C387-L390 PolarHBondContact O-N 2.75Å; C387-H391 VanDerWaalsContact O-CB 3.31Å; C387-H391 WeakPolarHBondContact O-CB 3.13Å; C387-H391 PolarHBondContact O-N 3.46Å; C387-R429 VanDerWaalsContact SG-CD 3.59Å; C387-L430 HydrophobicContact CB-CD1 4.19Å; C387-L430 HydrophobicContact CB-CD2 4.06Å; C387-L430 HydrophobicContact CB-CG 4.05Å
388	Q	91.4	Very high	88.4	Confident	120 Å²	120	51.1 Å²	51.1	56%	0.561	27%	0.266	S	S	*	.	H	α-helix	trans	-55.6	-49.2	173.6	179.6	-177.6	-8.5	0	0	110.8	D384 L390 H391 E392	D384-Q388 WeakPolarHBondContact O-CB 3.36Å; D384-Q388 PolarHBondContact O-N 3.44Å; Q388-L390 PolarHBondContact O-N 3.28Å; Q388-H391 WeakPolarHBondContact O-CB 3.35Å; Q388-H391 PolarHBondContact O-N 3.15Å; Q388-E392 HydrophobicContact CG-CG 4.45Å; Q388-E392 WeakPolarHBondContact CG-OE1 3.5Å; Q388-E392 PolarHBondContact NE2-OE1 3.15Å; Q388-E392 WeakPolarHBondContact O-CG 3.35Å; Q388-E392 PolarHBondContact O-N 3.15Å
389	K	88.5	Confident	88	Confident	18 Å²	18	56.7 Å²	56.7	8%	0.078	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-46.8	-178.3	-169.6	-173.7	-167.7	170.1	0	113	D369 W370 I385 L386 C387 H391 A393 T532 M534	D369-K389 VanDerWaalsContact O-CE 3.27Å; D369-K389 WeakPolarHBondContact O-CE 3.39Å; D369-K389 PolarHBondContact O-NZ 3.46Å; W370-K389 HydrophobicContact CE3-CD 3.57Å; W370-K389 HydrophobicContact CZ3-CD 3.85Å; I385-K389 WeakPolarHBondContact O-CB 3.27Å; I385-K389 PolarHBondContact O-N 3.33Å; L386-K389 PolarHBondContact O-N 2.86Å; C387-K389 VanDerWaalsContact C-N 3.32Å; C387-K389 PolarHBondContact O-N 3.49Å; K389-H391 VanDerWaalsContact C-N 3.33Å; K389-A393 WeakPolarHBondContact O-CB 3.31Å; K389-A393 PolarHBondContact O-N 2.73Å; K389-T532 WeakPolarHBondContact CE-O 3.42Å; K389-T532 PolarHBondContact NZ-O 3.36Å; K389-M534 HydrophobicContact CD-SD 4.08Å; K389-M534 WeakPolarHBondContact CE-SD 3.36Å; K389-M534 HydrophobicContact CG-CG 3.58Å; K389-M534 HydrophobicContact CG-SD 3.35Å; K389-M534 WeakPolarHBondContact CG-SD 3.37Å
390	L	90.5	Very high	87.9	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.1	-36.2	179.2	-66.5	-177.3	0	0	0	111.5	D369 L386 C387 Q388 A393 R394 N401 I403 I426 L430 Y432	D369-L390 HydrophobicContact CB-CD2 3.86Å; L386-L390 HydrophobicContact CD1-CD1 3.94Å; L386-L390 HydrophobicContact CD1-CD2 4.47Å; L386-L390 HydrophobicContact CD1-CG 4.01Å; L386-L390 HydrophobicContact CG-CD1 3.99Å; L386-L390 HydrophobicContact CG-CG 4.34Å; L386-L390 WeakPolarHBondContact O-CB 3.35Å; L386-L390 VanDerWaalsContact O-CG 3.28Å; L386-L390 WeakPolarHBondContact O-CG 3.11Å; L386-L390 PolarHBondContact O-N 3.17Å; C387-L390 PolarHBondContact O-N 2.75Å; Q388-L390 PolarHBondContact O-N 3.28Å; L390-A393 PolarHBondContact O-N 3.27Å; L390-R394 WeakPolarHBondContact O-CG 3.48Å; L390-R394 PolarHBondContact O-N 3.29Å; L390-N401 HydrophobicContact CD2-CB 3.78Å; L390-I403 HydrophobicContact CD1-CD1 4.18Å; L390-I403 HydrophobicContact CD2-CD1 4.34Å; L390-I426 HydrophobicContact CD1-CD1 3.7Å; L390-I426 HydrophobicContact CD1-CG1 3.8Å; L390-I426 HydrophobicContact CD1-CG2 4.32Å; L390-L430 HydrophobicContact CB-CD1 3.79Å; L390-L430 HydrophobicContact CD1-CD1 4.44Å; L390-Y432 HydrophobicContact CB-CE2 4.47Å
391	H	90.2	Very high	88	Confident	84 Å²	84	50.1 Å²	50.1	39%	0.389	25%	0.246	S	C	.	.	H	α-helix	trans	-62.7	-54.2	173.8	-169.6	81.1	0	0	0	111.3	C387 Q388 K389 A393 R394 E395 L430 Y432	C387-H391 VanDerWaalsContact O-CB 3.31Å; C387-H391 WeakPolarHBondContact O-CB 3.13Å; C387-H391 PolarHBondContact O-N 3.46Å; Q388-H391 WeakPolarHBondContact O-CB 3.35Å; Q388-H391 PolarHBondContact O-N 3.15Å; K389-H391 VanDerWaalsContact C-N 3.33Å; H391-A393 VanDerWaalsContact C-N 3.28Å; H391-A393 PolarHBondContact O-N 3.29Å; H391-R394 PolarHBondContact O-N 3.24Å; H391-R394 VanDerWaalsContact O-N 3.09Å; H391-E395 IonicContact CD2-OE2 3.59Å; H391-E395 PolarHBondContact O-N 3.36Å; H391-L430 HydrophobicContact CB-CD2 4.11Å; H391-Y432 PolarHBondContact ND1-OH 2.9Å
392	E	84.9	Confident	88.1	Confident	38 Å²	38	46.4 Å²	46.4	18%	0.178	23%	0.226	C	C	.	.	H	α-helix	trans	-54.9	-43.4	175.5	-73.4	178.8	-162.3	0	0	111.2	Q388 R394 E395 H396 M534	Q388-E392 HydrophobicContact CG-CG 4.45Å; Q388-E392 WeakPolarHBondContact CG-OE1 3.5Å; Q388-E392 PolarHBondContact NE2-OE1 3.15Å; Q388-E392 WeakPolarHBondContact O-CG 3.35Å; Q388-E392 PolarHBondContact O-N 3.15Å; E392-R394 VanDerWaalsContact C-N 3.3Å; E392-R394 PolarHBondContact O-N 2.84Å; E392-E395 PolarHBondContact O-N 2.87Å; E392-H396 PolarHBondContact O-N 2.95Å; E392-H396 VanDerWaalsContact O-N 3.14Å; E392-H396 PolarHBondContact O-ND1 3.21Å; E392-M534 HydrophobicContact CB-CE 4.46Å
393	A	84.9	Confident	88.3	Confident	2 Å²	2	46.2 Å²	46.2	2%	0.017	23%	0.226	C	C	.	.	H	α-helix	trans	-55.6	-46.2	178.1	0	0	0	0	0	111.8	K389 L390 H391 H396 Q398 M534	K389-A393 WeakPolarHBondContact O-CB 3.31Å; K389-A393 PolarHBondContact O-N 2.73Å; L390-A393 PolarHBondContact O-N 3.27Å; H391-A393 VanDerWaalsContact C-N 3.28Å; H391-A393 PolarHBondContact O-N 3.29Å; A393-H396 PolarHBondContact O-N 3.26Å; A393-Q398 HydrophobicContact CB-CB 4.25Å; A393-Q398 WeakPolarHBondContact O-CB 3.44Å; A393-Q398 PolarHBondContact O-N 3.32Å; A393-M534 VanDerWaalsContact CA-CE 3.42Å; A393-M534 HydrophobicContact CB-CE 3.52Å
394	R	84.7	Confident	88.4	Confident	53 Å²	53	42.1 Å²	42.1	20%	0.2	21%	0.21	C	C	.	.	H	α-helix	trans	-69.6	-37.7	179	-66.3	-153.9	-175.2	-161.5	-7	113.1	Q343 S345 L390 H391 E392 H396 G397 N401 Y432	Q343-R394 VanDerWaalsContact O-CZ 3.3Å; Q343-R394 PolarHBondContact O-NH1 3.49Å; Q343-R394 PolarHBondContact O-NH2 3.46Å; S345-R394 PolarHBondContact OG-NH2 2.95Å; L390-R394 WeakPolarHBondContact O-CG 3.48Å; L390-R394 PolarHBondContact O-N 3.29Å; H391-R394 PolarHBondContact O-N 3.24Å; H391-R394 VanDerWaalsContact O-N 3.09Å; E392-R394 VanDerWaalsContact C-N 3.3Å; E392-R394 PolarHBondContact O-N 2.84Å; R394-H396 VanDerWaalsContact C-N 3.25Å; R394-H396 PolarHBondContact O-N 3.03Å; R394-G397 PolarHBondContact O-N 3.28Å; R394-N401 PolarHBondContact NE-OD1 3.19Å; R394-N401 PolarHBondContact NH2-OD1 3.49Å; R394-Y432 VanDerWaalsContact CD-CE2 3.43Å; R394-Y432 VanDerWaalsContact CD-CZ 3.47Å; R394-Y432 HydrophobicContact CG-CE2 3.99Å; R394-Y432 VanDerWaalsContact CZ-CD2 3.43Å; R394-Y432 VanDerWaalsContact NE-CD2 3.32Å
395	E	85.3	Confident	88.6	Confident	132 Å²	132	38 Å²	38	62%	0.617	19%	0.188	S	C	*	.	H	α-helix	trans	-59.6	-35.9	175.1	-72.1	-166	114.1	0	0	112.4	H391 E392 G397	H391-E395 IonicContact CD2-OE2 3.59Å; H391-E395 PolarHBondContact O-N 3.36Å; E392-E395 PolarHBondContact O-N 2.87Å; E395-G397 PolarHBondContact O-N 3.46Å
396	H	79	Confident	88.9	Confident	57 Å²	57	35.5 Å²	35.5	26%	0.264	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	19.1	174.5	-55.6	74.5	0	0	0	113.2	E392 A393 R394 R535 H602	E392-H396 PolarHBondContact O-N 2.95Å; E392-H396 VanDerWaalsContact O-N 3.14Å; E392-H396 PolarHBondContact O-ND1 3.21Å; A393-H396 PolarHBondContact O-N 3.26Å; R394-H396 VanDerWaalsContact C-N 3.25Å; R394-H396 PolarHBondContact O-N 3.03Å; H396-R535 PolarHBondContact CE1-NH2 2.87Å; H396-R535 PolarHBondContact NE2-NE 3.47Å; H396-R535 PolarHBondContact NE2-NH2 2.78Å; H396-H602 WeakPolarHBondContact CB-CE1 3.31Å; H396-H602 AromaticContact CD2-CE1 3.88Å; H396-H602 AromaticContact CD2-NE2 3.51Å; H396-H602 AromaticContact CG-CE1 3.78Å; H396-H602 AromaticContact CG-NE2 3.87Å
397	G	80.5	Confident	88.9	Confident	58 Å²	58	39.5 Å²	39.5	60%	0.598	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.8	5.8	172.6	0	0	0	0	0	115.9	R394 E395 R399	R394-G397 PolarHBondContact O-N 3.28Å; E395-G397 PolarHBondContact O-N 3.46Å; G397-R399 PolarHBondContact O-N 3.47Å
398	Q	80.8	Confident	88.8	Confident	39 Å²	39	39.5 Å²	39.5	18%	0.182	20%	0.196	C	C	.	.			trans	-71	106.7	177.2	-161.8	179	-48.6	0	0	110.3	D369 A393 V400	D369-Q398 PolarHBondContact OD1-NE2 3.21Å; D369-Q398 PolarHBondContact OD2-NE2 2.96Å; A393-Q398 HydrophobicContact CB-CB 4.25Å; A393-Q398 WeakPolarHBondContact O-CB 3.44Å; A393-Q398 PolarHBondContact O-N 3.32Å; Q398-V400 VanDerWaalsContact C-N 3.3Å; Q398-V400 WeakPolarHBondContact CG-O 3.16Å; Q398-V400 PolarHBondContact NE2-O 3.41Å; Q398-V400 PolarHBondContact O-N 2.8Å
399	R	83.5	Confident	88.9	Confident	121 Å²	121	33.9 Å²	33.9	46%	0.457	17%	0.17	S	C	.	.			trans	-71	-21.9	-177.2	-66.5	177.2	63.5	96.3	1.3	114.1	Q340 S341 Q343 G397	Q340-R399 PolarHBondContact O-NE 2.88Å; Q340-R399 PolarHBondContact O-NH2 2.89Å; S341-R399 PolarHBondContact O-NH2 2.81Å; Q343-R399 CarbonylContact C-O 3.18Å; Q343-R399 WeakPolarHBondContact CA-O 3.35Å; Q343-R399 HydrophobicContact CG-CB 4.31Å; Q343-R399 HydrophobicContact CG-CG 4.43Å; Q343-R399 VanDerWaalsContact NE2-NH1 3.17Å; G397-R399 PolarHBondContact O-N 3.47Å
400	V	87.3	Confident	89.2	Confident	5 Å²	5	35.1 Å²	35.1	3%	0.03	18%	0.177	C	C	.	.			trans	-125.8	136.4	-171.3	175.4	0	0	0	0	109.7	A339 Q340 Q398 I402	A339-V400 HydrophobicContact CB-CB 4.18Å; A339-V400 HydrophobicContact CB-CG1 3.54Å; A339-V400 HydrophobicContact CB-CG2 3.61Å; Q340-V400 VanDerWaalsContact CA-CG2 3.44Å; Q340-V400 HydrophobicContact CB-CG2 4.06Å; Q340-V400 HydrophobicContact CG-CG2 3.51Å; Q398-V400 VanDerWaalsContact C-N 3.3Å; Q398-V400 WeakPolarHBondContact CG-O 3.16Å; Q398-V400 PolarHBondContact NE2-O 3.41Å; Q398-V400 PolarHBondContact O-N 2.8Å; V400-I402 HydrophobicContact CG1-CD1 3.64Å; V400-I402 HydrophobicContact CG1-CG1 3.89Å
401	N	90.6	Very high	89.2	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.3	167.4	-56.4	113.7	0	0	0	110.3	R344 S345 F346 D369 L390 R394 I403	R344-N401 PolarHBondContact O-N 2.7Å; S345-N401 CarbonylContact C-O 3.3Å; S345-N401 WeakPolarHBondContact CA-O 3.33Å; F346-N401 PolarHBondContact N-O 2.82Å; D369-N401 PolarHBondContact OD1-ND2 3.49Å; D369-N401 WeakPolarHBondContact OD2-CA 3.4Å; L390-N401 HydrophobicContact CD2-CB 3.78Å; R394-N401 PolarHBondContact NE-OD1 3.19Å; R394-N401 PolarHBondContact NH2-OD1 3.49Å; N401-I403 HydrophobicContact CB-CD1 4.28Å
402	I	93.2	Very high	89.2	Confident	5 Å²	5	38 Å²	38	3%	0.026	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.3	175	-56	-57.4	0	0	0	108.4	V332 V335 F346 A368 D369 V400 I404	V332-I402 HydrophobicContact CG1-CG2 4.11Å; V335-I402 HydrophobicContact CG1-CD1 4.3Å; F346-I402 HydrophobicContact CB-CD1 4.03Å; A368-I402 CarbonylContact C-O 3.54Å; A368-I402 HydrophobicContact CB-CB 4.42Å; A368-I402 HydrophobicContact CB-CG2 4.16Å; D369-I402 PolarHBondContact N-O 3.5Å; D369-I402 PolarHBondContact OD2-N 2.8Å; V400-I402 HydrophobicContact CG1-CD1 3.64Å; V400-I402 HydrophobicContact CG1-CG1 3.89Å; I402-I404 HydrophobicContact CG2-CG1 4.23Å
403	I	95.7	Very high	89.3	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	126	174.4	-58	85	0	0	0	107.6	F346 V347 V348 W370 F372 L386 L390 N401 V405 V422 I426	F346-I403 PolarHBondContact O-N 2.89Å; V347-I403 CarbonylContact C-O 3.57Å; V347-I403 WeakPolarHBondContact CA-O 3.43Å; V347-I403 HydrophobicContact CG2-CB 4.42Å; V348-I403 PolarHBondContact N-O 2.95Å; W370-I403 HydrophobicContact CB-CG1 4.5Å; W370-I403 HydrophobicContact CB-CG2 4.25Å; W370-I403 CarbonylContact O-C 3.43Å; W370-I403 WeakPolarHBondContact O-CA 3.35Å; F372-I403 HydrophobicContact CD2-CG2 3.96Å; F372-I403 HydrophobicContact CE2-CG2 3.72Å; L386-I403 HydrophobicContact CD1-CG1 4.45Å; L390-I403 HydrophobicContact CD1-CD1 4.18Å; L390-I403 HydrophobicContact CD2-CD1 4.34Å; N401-I403 HydrophobicContact CB-CD1 4.28Å; I403-V405 HydrophobicContact CG2-CG2 4.37Å; I403-V422 HydrophobicContact CG2-CG1 3.99Å; I403-I426 HydrophobicContact CD1-CD1 3.88Å; I403-I426 HydrophobicContact CG1-CD1 4.31Å
404	I	96.8	Very high	89.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	132.8	176.8	-60.9	-173.1	0	0	0	109.6	V348 V350 A359 A362 A363 A368 W370 A371 F372 I402	V348-I404 WeakPolarHBondContact O-CA 3.43Å; V350-I404 HydrophobicContact CG1-CG2 3.92Å; V350-I404 HydrophobicContact CG2-CG2 3.77Å; A359-I404 HydrophobicContact CB-CG2 3.85Å; A362-I404 HydrophobicContact CB-CD1 3.77Å; A363-I404 HydrophobicContact CB-CD1 4.15Å; A368-I404 HydrophobicContact CB-CD1 4.04Å; A368-I404 HydrophobicContact CB-CG1 3.97Å; W370-I404 PolarHBondContact O-N 3.41Å; A371-I404 CarbonylContact C-O 3.49Å; A371-I404 VanDerWaalsContact CA-O 3.25Å; A371-I404 WeakPolarHBondContact CA-O 3.36Å; F372-I404 PolarHBondContact N-O 3.46Å; I402-I404 HydrophobicContact CG2-CG1 4.23Å
405	V	97.1	Very high	89.6	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.8	179.1	-177.3	0	0	0	0	108.3	V347 V348 E349 V350 F372 I403 A409 V422	V347-V405 HydrophobicContact CG1-CG2 3.58Å; V348-V405 PolarHBondContact O-N 3.2Å; E349-V405 WeakPolarHBondContact CA-O 3.45Å; V350-V405 PolarHBondContact N-O 2.8Å; F372-V405 HydrophobicContact CB-CG1 4.4Å; F372-V405 HydrophobicContact CD2-CG2 3.94Å; I403-V405 HydrophobicContact CG2-CG2 4.37Å; V405-A409 HydrophobicContact CG1-CB 3.97Å; V405-V422 HydrophobicContact CG2-CG2 4.28Å
406	A	96.6	Very high	90	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.017	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	142.2	169.2	0	0	0	0	0	110	A359 F372 G408 A409	A359-A406 HydrophobicContact CB-CB 3.9Å; F372-A406 WeakPolarHBondContact O-CB 3.42Å; F372-A406 PolarHBondContact O-N 2.7Å; A406-G408 PolarHBondContact O-N 3.35Å; A406-A409 VanDerWaalsContact O-CB 3.26Å; A406-A409 WeakPolarHBondContact O-CB 3.49Å; A406-A409 PolarHBondContact O-N 2.8Å
407	E	92.7	Very high	90.7	Very high	84 Å²	84	39.8 Å²	39.8	39%	0.393	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-20.9	177.4	70.8	-176.6	145	0	0	113.5	V350 M351 G352 R353	V350-E407 PolarHBondContact O-N 2.84Å; M351-E407 VanDerWaalsContact CA-OE1 3.26Å; M351-E407 WeakPolarHBondContact CA-OE1 3.4Å; M351-E407 WeakPolarHBondContact CB-OE1 3.24Å; G352-E407 PolarHBondContact N-OE1 3.24Å; R353-E407 WeakPolarHBondContact CA-OE1 3.36Å; R353-E407 PolarHBondContact N-OE1 3.33Å
408	G	91	Very high	91.4	Very high	9 Å²	9	39.5 Å²	39.5	9%	0.093	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	22.5	173.4	0	0	0	0	0	115.5	R353 P374 A406 L410	R353-G408 WeakPolarHBondContact O-CA 3.25Å; R353-G408 PolarHBondContact O-N 3.32Å; P374-G408 VanDerWaalsContact CB-O 3.32Å; P374-G408 WeakPolarHBondContact CB-O 3.37Å; A406-G408 PolarHBondContact O-N 3.35Å; G408-L410 PolarHBondContact O-N 3.03Å
409	A	94.1	Very high	92.1	Very high	3 Å²	3	37.6 Å²	37.6	3%	0.025	20%	0.199	C	C	.	.			trans	-62.1	133.1	179.1	0	0	0	0	0	112	F372 V405 A406 P416 I417	F372-A409 HydrophobicContact CB-CB 3.8Å; V405-A409 HydrophobicContact CG1-CB 3.97Å; A406-A409 VanDerWaalsContact O-CB 3.26Å; A406-A409 WeakPolarHBondContact O-CB 3.49Å; A406-A409 PolarHBondContact O-N 2.8Å; A409-P416 WeakPolarHBondContact O-CA 3.01Å; A409-I417 HydrophobicContact CB-CB 4.26Å; A409-I417 PolarHBondContact O-N 3.47Å
410	L	93.2	Very high	92.6	Very high	43 Å²	43	35.8 Å²	35.8	23%	0.225	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-126.4	154.4	-179.3	-57.6	176	0	0	0	110.9	P377 P378 G408 N415 I417	P377-L410 WeakPolarHBondContact CB-O 3.34Å; P378-L410 WeakPolarHBondContact CD-O 3.49Å; G408-L410 PolarHBondContact O-N 3.03Å; L410-N415 CarbonylContact C-O 3.44Å; L410-N415 VanDerWaalsContact CA-O 3.31Å; L410-N415 WeakPolarHBondContact CA-O 3.25Å; L410-I417 WeakPolarHBondContact O-CD1 3.45Å
411	D	91.7	Very high	93	Very high	29 Å²	29	38.8 Å²	38.8	16%	0.155	21%	0.21	C	C	.	.			trans	-83.5	177.7	160.2	72.2	17	0	0	0	111.6	D413 G414 N415 I417	D411-D413 PolarHBondContact O-N 2.73Å; D411-D413 VanDerWaalsContact OD1-CA 3.31Å; D411-D413 WeakPolarHBondContact OD1-CA 3.32Å; D411-D413 WeakPolarHBondContact OD1-CB 3.19Å; D411-D413 PolarHBondContact OD1-N 3.09Å; D411-G414 PolarHBondContact O-N 3.37Å; D411-G414 PolarHBondContact OD1-N 2.84Å; D411-N415 PolarHBondContact N-O 3.36Å; D411-N415 PolarHBondContact OD1-N 2.82Å; D411-N415 PolarHBondContact OD1-ND2 3.29Å; D411-N415 WeakPolarHBondContact OD2-CB 3.42Å; D411-N415 PolarHBondContact OD2-ND2 3.11Å; D411-I417 HydrophobicContact CB-CD1 4.06Å; D411-I417 HydrophobicContact CB-CG1 4.23Å
412	R	89.8	Confident	93.2	Very high	115 Å²	115	38.8 Å²	38.8	43%	0.434	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.4	178.2	-73.9	177.2	179.2	-161.5	2.1	113.8	P377 P378 K508	P377-R412 HydrophobicContact CB-CG 4.02Å; P378-R412 WeakPolarHBondContact O-CG 3.41Å; P378-R412 PolarHBondContact O-NE 2.67Å; R412-K508 WeakPolarHBondContact O-CD 3.18Å
413	D	86.8	Confident	93.4	Very high	101 Å²	101	42.2 Å²	42.2	54%	0.54	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-14.6	178.1	-69.5	-47.8	0	0	0	112.4	D411 K508	D411-D413 PolarHBondContact O-N 2.73Å; D411-D413 VanDerWaalsContact OD1-CA 3.31Å; D411-D413 WeakPolarHBondContact OD1-CA 3.32Å; D411-D413 WeakPolarHBondContact OD1-CB 3.19Å; D411-D413 PolarHBondContact OD1-N 3.09Å; D413-K508 VanDerWaalsContact C-NZ 3.3Å; D413-K508 WeakPolarHBondContact O-CE 3.5Å; D413-K508 PolarHBondContact O-NZ 3.41Å
414	G	84.6	Confident	93.4	Very high	38 Å²	38	44.9 Å²	44.9	39%	0.392	24%	0.237	S	C	.	.	S	Bend	trans	98.6	8.4	179.3	0	0	0	0	0	113.3	D411	D411-G414 PolarHBondContact O-N 3.37Å; D411-G414 PolarHBondContact OD1-N 2.84Å
415	N	91.4	Very high	93.3	Very high	87 Å²	87	45.4 Å²	45.4	47%	0.465	24%	0.241	S	C	.	.			trans	-80.3	144.5	176.3	-46.1	-67.2	0	0	0	110.1	L410 D411	L410-N415 CarbonylContact C-O 3.44Å; L410-N415 VanDerWaalsContact CA-O 3.31Å; L410-N415 WeakPolarHBondContact CA-O 3.25Å; D411-N415 PolarHBondContact N-O 3.36Å; D411-N415 PolarHBondContact OD1-N 2.82Å; D411-N415 PolarHBondContact OD1-ND2 3.29Å; D411-N415 WeakPolarHBondContact OD2-CB 3.42Å; D411-N415 PolarHBondContact OD2-ND2 3.11Å
416	P	93	Very high	93.2	Very high	87 Å²	87	45.3 Å²	45.3	57%	0.565	24%	0.24	S	C	*	.	B	Isolated β-bridge	trans	-67.3	139.5	175.9	28.5	-34.6	0	0	0	111.9	A409	A409-P416 WeakPolarHBondContact O-CA 3.01Å
417	I	94.6	Very high	93.1	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.036	26%	0.255	C	S	.	.			trans	-102.8	107	170	-60.4	176.5	0	0	0	107.6	F372 P378 W382 A409 L410 D411 V422	F372-I417 HydrophobicContact CD1-CD1 3.84Å; F372-I417 HydrophobicContact CD1-CG2 4.04Å; F372-I417 HydrophobicContact CE1-CD1 4.12Å; F372-I417 HydrophobicContact CE1-CG2 4.2Å; P378-I417 HydrophobicContact CG-CD1 3.63Å; W382-I417 HydrophobicContact CH2-CG2 4.43Å; W382-I417 HydrophobicContact CZ2-CG2 4.27Å; A409-I417 HydrophobicContact CB-CB 4.26Å; A409-I417 PolarHBondContact O-N 3.47Å; L410-I417 WeakPolarHBondContact O-CD1 3.45Å; D411-I417 HydrophobicContact CB-CD1 4.06Å; D411-I417 HydrophobicContact CB-CG1 4.23Å; I417-V422 HydrophobicContact CG2-CG2 3.73Å
418	T	94.7	Very high	93.1	Very high	52 Å²	52	51.4 Å²	51.4	32%	0.319	27%	0.272	S	S	.	.			trans	-84.5	160.2	179.3	88.6	0	0	0	0	112.3	E420 M421 V422	T418-E420 VanDerWaalsContact C-N 3.29Å; T418-E420 VanDerWaalsContact CB-OE2 3.26Å; T418-E420 WeakPolarHBondContact CB-OE2 3.36Å; T418-E420 PolarHBondContact O-N 3.49Å; T418-E420 PolarHBondContact OG1-N 2.97Å; T418-E420 PolarHBondContact OG1-OE2 3.02Å; T418-M421 HydrophobicContact CG2-SD 4.13Å; T418-M421 PolarHBondContact O-N 2.98Å; T418-M421 PolarHBondContact OG1-N 3.44Å; T418-V422 PolarHBondContact O-N 3.49Å
419	S	95	Very high	93.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.7	-30	176.6	57.5	0	0	0	0	112.8	E349 R423 V436	E349-S419 VanDerWaalsContact OE2-CB 3.31Å; E349-S419 WeakPolarHBondContact OE2-CB 3.4Å; E349-S419 PolarHBondContact OE2-OG 3.43Å; S419-R423 PolarHBondContact O-N 3.22Å; S419-V436 WeakPolarHBondContact OG-CG1 3.25Å
420	E	95.7	Very high	93.1	Very high	82 Å²	82	57.6 Å²	57.6	38%	0.383	29%	0.294	S	S	.	.	H	α-helix	trans	-66.7	-44.4	170.6	-57.2	81.7	-177.5	0	0	112.4	T418 V422 R423 D424	T418-E420 VanDerWaalsContact C-N 3.29Å; T418-E420 VanDerWaalsContact CB-OE2 3.26Å; T418-E420 WeakPolarHBondContact CB-OE2 3.36Å; T418-E420 PolarHBondContact O-N 3.49Å; T418-E420 PolarHBondContact OG1-N 2.97Å; T418-E420 PolarHBondContact OG1-OE2 3.02Å; E420-V422 PolarHBondContact O-N 2.96Å; E420-R423 WeakPolarHBondContact O-CB 3.42Å; E420-R423 PolarHBondContact O-N 3.31Å; E420-R423 VanDerWaalsContact O-N 3.09Å; E420-D424 VanDerWaalsContact O-CG 3.27Å; E420-D424 PolarHBondContact O-N 3.1Å
421	M	95.2	Very high	93	Very high	68 Å²	68	62.4 Å²	62.4	34%	0.335	32%	0.32	S	S	.	.	H	α-helix	trans	-57.6	-38.7	177.3	-68.8	173.6	64.4	0	0	111.8	T418 V425	T418-M421 HydrophobicContact CG2-SD 4.13Å; T418-M421 PolarHBondContact O-N 2.98Å; T418-M421 PolarHBondContact OG1-N 3.44Å; M421-V425 VanDerWaalsContact O-CG2 3.24Å; M421-V425 WeakPolarHBondContact O-CG2 3.43Å; M421-V425 PolarHBondContact O-N 3.39Å
422	V	95.4	Very high	93	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-70	-41.3	176.7	178.1	0	0	0	0	111.3	V347 F372 W382 L386 I403 V405 I417 T418 E420 I426	V347-V422 HydrophobicContact CG1-CB 4.23Å; V347-V422 HydrophobicContact CG1-CG1 4.21Å; V347-V422 HydrophobicContact CG2-CB 4.45Å; V347-V422 HydrophobicContact CG2-CG1 3.96Å; F372-V422 HydrophobicContact CD2-CG2 4.27Å; F372-V422 HydrophobicContact CE2-CG1 4.01Å; F372-V422 HydrophobicContact CE2-CG2 3.82Å; F372-V422 HydrophobicContact CZ-CG1 4.49Å; F372-V422 HydrophobicContact CZ-CG2 3.96Å; W382-V422 HydrophobicContact CH2-CG2 4.04Å; W382-V422 HydrophobicContact CZ3-CG2 4.25Å; L386-V422 HydrophobicContact CD2-CG1 4.08Å; I403-V422 HydrophobicContact CG2-CG1 3.99Å; V405-V422 HydrophobicContact CG2-CG2 4.28Å; I417-V422 HydrophobicContact CG2-CG2 3.73Å; T418-V422 PolarHBondContact O-N 3.49Å; E420-V422 PolarHBondContact O-N 2.96Å; V422-I426 HydrophobicContact CG1-CD1 4.04Å; V422-I426 WeakPolarHBondContact O-CD1 3.49Å; V422-I426 VanDerWaalsContact O-CG1 3.27Å; V422-I426 WeakPolarHBondContact O-CG1 3.47Å; V422-I426 PolarHBondContact O-N 3.35Å
423	R	95.8	Very high	93.1	Very high	77 Å²	77	59.9 Å²	59.9	29%	0.291	31%	0.313	S	S	.	.	H	α-helix	trans	-57.3	-51.4	172.8	175.5	-158	67.3	-145.2	-3	111	S419 E420 V425 I426 V427 T434 V436	S419-R423 PolarHBondContact O-N 3.22Å; E420-R423 WeakPolarHBondContact O-CB 3.42Å; E420-R423 PolarHBondContact O-N 3.31Å; E420-R423 VanDerWaalsContact O-N 3.09Å; R423-V425 PolarHBondContact O-N 3.42Å; R423-I426 PolarHBondContact O-N 3.03Å; R423-I426 VanDerWaalsContact O-N 3.11Å; R423-V427 HydrophobicContact CG-CG2 4.17Å; R423-V427 WeakPolarHBondContact O-CG2 3.44Å; R423-V427 PolarHBondContact O-N 3.05Å; R423-T434 HydrophobicContact CB-CG2 4.28Å; R423-T434 HydrophobicContact CG-CG2 4.03Å; R423-V436 HydrophobicContact CB-CG2 3.72Å; R423-V436 HydrophobicContact CG-CG2 4.22Å
424	D	96.1	Very high	93.4	Very high	56 Å²	56	55.5 Å²	55.5	30%	0.299	29%	0.289	S	S	.	.	H	α-helix	trans	-65.2	-41.8	-172	-66	-22.6	0	0	0	110.9	E420 I426 V427 E428	E420-D424 VanDerWaalsContact O-CG 3.27Å; E420-D424 PolarHBondContact O-N 3.1Å; D424-I426 VanDerWaalsContact C-N 3.32Å; D424-I426 PolarHBondContact O-N 3.43Å; D424-V427 PolarHBondContact O-N 3.06Å; D424-E428 VanDerWaalsContact O-CB 3.31Å; D424-E428 WeakPolarHBondContact O-CB 3.23Å; D424-E428 VanDerWaalsContact O-CG 3.27Å; D424-E428 WeakPolarHBondContact O-CG 3.36Å; D424-E428 PolarHBondContact O-N 3.42Å
425	V	94.7	Very high	93.9	Very high	12 Å²	12	59.8 Å²	59.8	7%	0.073	29%	0.294	C	S	.	.	H	α-helix	trans	-56	-42.7	171.7	167.6	0	0	0	0	112.5	W382 R383 M421 R423 R429	W382-V425 HydrophobicContact CH2-CG2 4.13Å; W382-V425 HydrophobicContact CZ3-CG1 4.35Å; R383-V425 HydrophobicContact CB-CG1 3.85Å; R383-V425 HydrophobicContact CG-CG1 4.04Å; R383-V425 HydrophobicContact CG-CG2 3.93Å; M421-V425 VanDerWaalsContact O-CG2 3.24Å; M421-V425 WeakPolarHBondContact O-CG2 3.43Å; M421-V425 PolarHBondContact O-N 3.39Å; R423-V425 PolarHBondContact O-N 3.42Å; V425-R429 VanDerWaalsContact O-CB 3.29Å; V425-R429 WeakPolarHBondContact O-CB 3.27Å; V425-R429 WeakPolarHBondContact O-CG 3.34Å; V425-R429 PolarHBondContact O-N 3.44Å
426	I	94.2	Very high	94.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-71.3	-41.3	179.4	-63.3	166.4	0	0	0	111.1	V347 L386 L390 I403 V422 R423 D424 L430 N431 Y432 T434	V347-I426 HydrophobicContact CG2-CD1 4.34Å; L386-I426 HydrophobicContact CD2-CD1 4.27Å; L386-I426 HydrophobicContact CD2-CG1 4.16Å; L390-I426 HydrophobicContact CD1-CD1 3.7Å; L390-I426 HydrophobicContact CD1-CG1 3.8Å; L390-I426 HydrophobicContact CD1-CG2 4.32Å; I403-I426 HydrophobicContact CD1-CD1 3.88Å; I403-I426 HydrophobicContact CG1-CD1 4.31Å; V422-I426 HydrophobicContact CG1-CD1 4.04Å; V422-I426 WeakPolarHBondContact O-CD1 3.49Å; V422-I426 VanDerWaalsContact O-CG1 3.27Å; V422-I426 WeakPolarHBondContact O-CG1 3.47Å; V422-I426 PolarHBondContact O-N 3.35Å; R423-I426 PolarHBondContact O-N 3.03Å; R423-I426 VanDerWaalsContact O-N 3.11Å; D424-I426 VanDerWaalsContact C-N 3.32Å; D424-I426 PolarHBondContact O-N 3.43Å; I426-L430 WeakPolarHBondContact O-CB 3.39Å; I426-L430 PolarHBondContact O-N 2.8Å; I426-N431 PolarHBondContact O-N 3.31Å; I426-Y432 HydrophobicContact CG2-CD2 4.37Å; I426-T434 HydrophobicContact CB-CG2 4.38Å; I426-T434 HydrophobicContact CD1-CG2 4.24Å; I426-T434 HydrophobicContact CG2-CG2 4.33Å; I426-T434 VanDerWaalsContact CG2-OG1 3.23Å; I426-T434 WeakPolarHBondContact CG2-OG1 3.37Å
427	V	94.7	Very high	94.2	Very high	56 Å²	56	55.3 Å²	55.3	34%	0.339	27%	0.268	S	S	.	.	H	α-helix	trans	-67.8	-49.1	179.8	173	0	0	0	0	110.9	R423 D424 R429 N431	R423-V427 HydrophobicContact CG-CG2 4.17Å; R423-V427 WeakPolarHBondContact O-CG2 3.44Å; R423-V427 PolarHBondContact O-N 3.05Å; D424-V427 PolarHBondContact O-N 3.06Å; V427-R429 PolarHBondContact O-N 3.38Å; V427-N431 WeakPolarHBondContact O-CA 3.45Å; V427-N431 PolarHBondContact O-N 3.28Å
428	E	94.6	Very high	94.2	Very high	157 Å²	157	58.8 Å²	58.8	73%	0.734	29%	0.289	S	S	*	.	H	α-helix	trans	-65.7	-38.2	-177.3	-70.6	174.6	177.9	0	0	113	D424	D424-E428 VanDerWaalsContact O-CB 3.31Å; D424-E428 WeakPolarHBondContact O-CB 3.23Å; D424-E428 VanDerWaalsContact O-CG 3.27Å; D424-E428 WeakPolarHBondContact O-CG 3.36Å; D424-E428 PolarHBondContact O-N 3.42Å
429	R	93.8	Very high	94.1	Very high	112 Å²	112	57.1 Å²	57.1	42%	0.423	28%	0.278	S	S	.	.	H	α-helix	trans	-96.6	-30.4	-172.5	-63.2	179.4	167.7	-148.9	-7.7	114.8	R383 D384 C387 V425 V427	R383-R429 VanDerWaalsContact C-NH1 3.26Å; R383-R429 PolarHBondContact O-NH1 3.2Å; D384-R429 IonicContact OD1-CZ 3.65Å; D384-R429 IonicContact OD1-NH1 3.64Å; D384-R429 PolarHBondContact OD1-NH1 2.88Å; D384-R429 IonicContact OD1-NH2 2.7Å; D384-R429 IonicContact OD2-CZ 2.75Å; D384-R429 IonicContact OD2-NH1 3.73Å; D384-R429 PolarHBondContact OD2-NH1 3.41Å; D384-R429 VanDerWaalsContact OD2-NH1 3.14Å; D384-R429 IonicContact OD2-NH2 3.73Å; C387-R429 VanDerWaalsContact SG-CD 3.59Å; V425-R429 VanDerWaalsContact O-CB 3.29Å; V425-R429 WeakPolarHBondContact O-CB 3.27Å; V425-R429 WeakPolarHBondContact O-CG 3.34Å; V425-R429 PolarHBondContact O-N 3.44Å; V427-R429 PolarHBondContact O-N 3.38Å
430	L	91.2	Very high	93.9	Very high	31 Å²	31	58 Å²	58	16%	0.162	29%	0.288	C	S	.	.	H	α-helix	trans	-114.3	-12.2	-178.3	-60.5	-179.7	0	0	0	113.9	C387 L390 H391 I426 Y432	C387-L430 HydrophobicContact CB-CD1 4.19Å; C387-L430 HydrophobicContact CB-CD2 4.06Å; C387-L430 HydrophobicContact CB-CG 4.05Å; L390-L430 HydrophobicContact CB-CD1 3.79Å; L390-L430 HydrophobicContact CD1-CD1 4.44Å; H391-L430 HydrophobicContact CB-CD2 4.11Å; I426-L430 WeakPolarHBondContact O-CB 3.39Å; I426-L430 PolarHBondContact O-N 2.8Å; L430-Y432 HydrophobicContact CB-CD1 3.91Å; L430-Y432 HydrophobicContact CB-CD2 3.89Å; L430-Y432 HydrophobicContact CB-CE1 3.99Å; L430-Y432 HydrophobicContact CB-CE2 3.98Å; L430-Y432 HydrophobicContact CB-CG 3.86Å; L430-Y432 HydrophobicContact CD1-CD2 3.81Å; L430-Y432 HydrophobicContact CD1-CE2 3.55Å; L430-Y432 HydrophobicContact CG-CE2 4.34Å; L430-Y432 WeakPolarHBondContact O-CD1 3.48Å; L430-Y432 WeakPolarHBondContact O-CE1 3.31Å; L430-Y432 PolarHBondContact O-N 3.48Å
431	N	90.8	Very high	93.4	Very high	143 Å²	143	58.7 Å²	58.7	77%	0.765	29%	0.291	S	S	*	.			trans	55.1	34.6	-175.4	-165.2	37.7	0	0	0	113.5	I426 V427	I426-N431 PolarHBondContact O-N 3.31Å; V427-N431 WeakPolarHBondContact O-CA 3.45Å; V427-N431 PolarHBondContact O-N 3.28Å
432	Y	91.2	Very high	93.1	Very high	32 Å²	32	59.4 Å²	59.4	13%	0.125	30%	0.298	C	S	.	.			trans	-89.8	134.5	178	-66.4	-7.6	0	0	0	111.1	L390 H391 R394 I426 L430 T434	L390-Y432 HydrophobicContact CB-CE2 4.47Å; H391-Y432 PolarHBondContact ND1-OH 2.9Å; R394-Y432 VanDerWaalsContact CD-CE2 3.43Å; R394-Y432 VanDerWaalsContact CD-CZ 3.47Å; R394-Y432 HydrophobicContact CG-CE2 3.99Å; R394-Y432 VanDerWaalsContact CZ-CD2 3.43Å; R394-Y432 VanDerWaalsContact NE-CD2 3.32Å; I426-Y432 HydrophobicContact CG2-CD2 4.37Å; L430-Y432 HydrophobicContact CB-CD1 3.91Å; L430-Y432 HydrophobicContact CB-CD2 3.89Å; L430-Y432 HydrophobicContact CB-CE1 3.99Å; L430-Y432 HydrophobicContact CB-CE2 3.98Å; L430-Y432 HydrophobicContact CB-CG 3.86Å; L430-Y432 HydrophobicContact CD1-CD2 3.81Å; L430-Y432 HydrophobicContact CD1-CE2 3.55Å; L430-Y432 HydrophobicContact CG-CE2 4.34Å; L430-Y432 WeakPolarHBondContact O-CD1 3.48Å; L430-Y432 WeakPolarHBondContact O-CE1 3.31Å; L430-Y432 PolarHBondContact O-N 3.48Å; Y432-T434 PolarHBondContact O-N 3.32Å; Y432-T434 PolarHBondContact O-OG1 3.28Å
433	D	91.9	Very high	92.8	Very high	60 Å²	60	59.4 Å²	59.4	32%	0.321	30%	0.299	S	S	.	.			trans	-61.3	101.5	172.3	-176.7	10.8	0	0	0	109.5	R344 S345 R435	R344-D433 HydrophobicContact CG-CB 4.18Å; R344-D433 IonicContact CZ-OD2 2.69Å; R344-D433 IonicContact NE-OD2 3.81Å; R344-D433 PolarHBondContact NE-OD2 3.35Å; R344-D433 IonicContact NH2-OD2 3.02Å; R344-D433 PolarHBondContact NH2-OD2 3Å; R344-D433 VanDerWaalsContact NH2-OD2 3.15Å; S345-D433 PolarHBondContact N-O 3.31Å; D433-R435 IonicContact OD1-CZ 3.99Å; D433-R435 IonicContact OD1-NE 2.72Å; D433-R435 PolarHBondContact OD1-NE 3.24Å; D433-R435 IonicContact OD1-NH2 2.76Å; D433-R435 PolarHBondContact OD1-NH2 3.22Å; D433-R435 IonicContact OD2-NH2 3.15Å
434	T	93.4	Very high	92	Very high	8 Å²	8	57.2 Å²	57.2	5%	0.049	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.7	-169.1	-55	0	0	0	0	110.3	S345 V347 R423 I426 Y432	S345-T434 VanDerWaalsContact O-CA 3.28Å; S345-T434 WeakPolarHBondContact O-CA 3.44Å; V347-T434 HydrophobicContact CG2-CG2 3.95Å; R423-T434 HydrophobicContact CB-CG2 4.28Å; R423-T434 HydrophobicContact CG-CG2 4.03Å; I426-T434 HydrophobicContact CB-CG2 4.38Å; I426-T434 HydrophobicContact CD1-CG2 4.24Å; I426-T434 HydrophobicContact CG2-CG2 4.33Å; I426-T434 VanDerWaalsContact CG2-OG1 3.23Å; I426-T434 WeakPolarHBondContact CG2-OG1 3.37Å; Y432-T434 PolarHBondContact O-N 3.32Å; Y432-T434 PolarHBondContact O-OG1 3.28Å
435	R	94.2	Very high	91.2	Very high	129 Å²	129	55.4 Å²	55.4	49%	0.487	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.2	-176.9	-57.7	-63.6	163.2	166.9	-6.3	111.1	S345 F346 V347 D433	S345-R435 PolarHBondContact O-N 2.61Å; F346-R435 CarbonylContact C-O 3.54Å; F346-R435 WeakPolarHBondContact CA-O 3.5Å; F346-R435 HydrophobicContact CD1-CB 3.85Å; F346-R435 HydrophobicContact CE1-CB 3.71Å; F346-R435 HydrophobicContact CE1-CG 4.32Å; F346-R435 HydrophobicContact CZ-CB 4.31Å; F346-R435 HydrophobicContact CZ-CG 4.47Å; V347-R435 PolarHBondContact N-O 3.27Å; D433-R435 IonicContact OD1-CZ 3.99Å; D433-R435 IonicContact OD1-NE 2.72Å; D433-R435 PolarHBondContact OD1-NE 3.24Å; D433-R435 IonicContact OD1-NH2 2.76Å; D433-R435 PolarHBondContact OD1-NH2 3.22Å; D433-R435 IonicContact OD2-NH2 3.15Å
436	V	95.4	Very high	90.5	Very high	42 Å²	42	56.6 Å²	56.6	26%	0.255	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	134.4	171.5	176.1	0	0	0	0	108.6	V347 S419 R423 V438	V347-V436 HydrophobicContact CB-CG2 4.3Å; V347-V436 CarbonylContact O-C 3.35Å; V347-V436 WeakPolarHBondContact O-CA 3.35Å; S419-V436 WeakPolarHBondContact OG-CG1 3.25Å; R423-V436 HydrophobicContact CB-CG2 3.72Å; R423-V436 HydrophobicContact CG-CG2 4.22Å; V436-V438 HydrophobicContact CG1-CG2 4.01Å
437	T	94.9	Very high	90.1	Very high	38 Å²	38	60.8 Å²	60.8	23%	0.233	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	101.3	174.5	-59.4	0	0	0	0	108.7	V347 V348 E349 L439	V347-T437 PolarHBondContact O-N 2.9Å; V348-T437 WeakPolarHBondContact CA-O 3.38Å; E349-T437 PolarHBondContact N-O 2.98Å; T437-L439 HydrophobicContact CG2-CD2 4.04Å; T437-L439 PolarHBondContact O-N 3.09Å
438	V	95.1	Very high	89.8	Confident	79 Å²	79	58.4 Å²	58.4	48%	0.479	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	109.1	173.4	-176.9	0	0	0	0	108.4	E349 V436 G440	E349-V438 HydrophobicContact CB-CB 4.39Å; E349-V438 HydrophobicContact CB-CG1 4.37Å; E349-V438 HydrophobicContact CB-CG2 4.07Å; V436-V438 HydrophobicContact CG1-CG2 4.01Å; V438-G440 VanDerWaalsContact C-N 3.34Å
439	L	93.2	Very high	89.7	Confident	18 Å²	18	51 Å²	51	9%	0.094	27%	0.274	C	S	.	.			trans	-67.7	-38	-179.5	-61	-175.3	0	0	0	111.5	I328 A331 V348 E349 V350 T437 H441 V442 Q443	I328-L439 HydrophobicContact CB-CD1 4.22Å; I328-L439 HydrophobicContact CG1-CD1 3.98Å; I328-L439 HydrophobicContact CG2-CD1 4.14Å; A331-L439 HydrophobicContact CB-CD1 4.25Å; A331-L439 HydrophobicContact CB-CD2 3.44Å; A331-L439 VanDerWaalsContact CB-CD2 3.44Å; V348-L439 HydrophobicContact CG1-CD1 3.96Å; V348-L439 HydrophobicContact CG1-CD2 4.21Å; V348-L439 HydrophobicContact CG1-CG 3.9Å; E349-L439 PolarHBondContact O-N 3.32Å; V350-L439 HydrophobicContact CG1-CD1 4.15Å; T437-L439 HydrophobicContact CG2-CD2 4.04Å; T437-L439 PolarHBondContact O-N 3.09Å; L439-H441 PolarHBondContact O-N 2.69Å; L439-V442 HydrophobicContact CB-CG2 4Å; L439-V442 WeakPolarHBondContact O-CG2 3.24Å; L439-Q443 HydrophobicContact CB-CG 4.1Å; L439-Q443 HydrophobicContact CD1-CG 4.3Å
440	G	89.8	Confident	89.6	Confident	19 Å²	19	45.7 Å²	45.7	20%	0.196	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	53.6	-136.6	-179.6	0	0	0	0	0	112.6	V438 V442 Q443	V438-G440 VanDerWaalsContact C-N 3.34Å; G440-V442 PolarHBondContact O-N 2.95Å; G440-V442 VanDerWaalsContact O-N 3.1Å; G440-Q443 PolarHBondContact O-N 2.86Å; G440-Q443 PolarHBondContact O-NE2 3.47Å
441	H	85.8	Confident	89.7	Confident	96 Å²	96	45.2 Å²	45.2	44%	0.444	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-70.9	-4.2	-168.7	-69.1	84.7	0	0	0	115.6	L439 Q443 R444	L439-H441 PolarHBondContact O-N 2.69Å; H441-Q443 PolarHBondContact O-N 2.99Å; H441-R444 PolarHBondContact NE2-NH1 2.94Å; H441-R444 PolarHBondContact O-N 3.02Å
442	V	89.3	Confident	89.7	Confident	82 Å²	82	38.4 Å²	38.4	50%	0.497	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-61.3	-27.4	172.1	-52.1	0	0	0	0	111.7	R327 L439 G440 R444 G445	R327-V442 VanDerWaalsContact CG-O 3.27Å; R327-V442 WeakPolarHBondContact CG-O 3.48Å; L439-V442 HydrophobicContact CB-CG2 4Å; L439-V442 WeakPolarHBondContact O-CG2 3.24Å; G440-V442 PolarHBondContact O-N 2.95Å; G440-V442 VanDerWaalsContact O-N 3.1Å; V442-R444 PolarHBondContact O-N 3.3Å; V442-G445 PolarHBondContact O-N 2.96Å
443	Q	88.9	Confident	89.6	Confident	1 Å²	1	37 Å²	37	1%	0.005	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-68.3	-11.3	174.1	-61.8	167.6	96.8	0	0	113.4	I308 A324 I328 M351 L439 G440 H441	I308-Q443 HydrophobicContact CD1-CB 4.4Å; A324-Q443 WeakPolarHBondContact CB-O 3.35Å; I328-Q443 HydrophobicContact CG1-CG 3.9Å; M351-Q443 HydrophobicContact SD-CB 4.33Å; L439-Q443 HydrophobicContact CB-CG 4.1Å; L439-Q443 HydrophobicContact CD1-CG 4.3Å; G440-Q443 PolarHBondContact O-N 2.86Å; G440-Q443 PolarHBondContact O-NE2 3.47Å; H441-Q443 PolarHBondContact O-N 2.99Å
444	R	78.6	Confident	89.5	Confident	30 Å²	30	34.5 Å²	34.5	11%	0.113	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-112.8	20.2	-178.6	-66.4	171.2	170.7	178.4	-2	112.3	V152 L154 I308 M351 H441 V442	V152-R444 HydrophobicContact CG1-CB 4.46Å; V152-R444 WeakPolarHBondContact O-CD 3.38Å; V152-R444 PolarHBondContact O-NE 2.88Å; V152-R444 PolarHBondContact O-NH1 2.94Å; V152-R444 VanDerWaalsContact O-NH1 3.16Å; L154-R444 VanDerWaalsContact CD2-O 3.3Å; L154-R444 WeakPolarHBondContact CD2-O 3.47Å; L154-R444 HydrophobicContact CG-CB 4.46Å; L154-R444 WeakPolarHBondContact CG-O 3.39Å; I308-R444 HydrophobicContact CD1-CG 3.65Å; M351-R444 HydrophobicContact SD-CG 4.09Å; M351-R444 PolarHBondContact SD-NE 2.89Å; H441-R444 PolarHBondContact NE2-NH1 2.94Å; H441-R444 PolarHBondContact O-N 3.02Å; V442-R444 PolarHBondContact O-N 3.3Å
445	G	79.3	Confident	89.3	Confident	19 Å²	19	34.2 Å²	34.2	20%	0.196	19%	0.193	C	C	.	.			trans	-149.9	-167.3	178.8	0	0	0	0	0	112.6	R327 V442	R327-G445 WeakPolarHBondContact CD-O 3.22Å; R327-G445 WeakPolarHBondContact CG-O 3.36Å; V442-G445 PolarHBondContact O-N 2.96Å
446	G	80.9	Confident	88.9	Confident	36 Å²	36	28.1 Å²	28.1	37%	0.371	17%	0.17	S	C	.	.	S	Bend	trans	89.3	169.3	-172.4	0	0	0	0	0	112.8	S206	S206-G446 WeakPolarHBondContact CB-O 3.48Å
447	N	85.7	Confident	88.5	Confident	89 Å²	89	26.1 Å²	26.1	48%	0.476	16%	0.157	S	C	.	.	S	Bend	trans	-68.7	136.3	172.1	-68.2	-3	0	0	0	108.5
448	P	88.4	Confident	88.2	Confident	5 Å²	5	24.8 Å²	24.8	3%	0.032	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-89.7	147.8	-166.6	41.2	-41.1	0	0	0	111	R158 Q204 T323 R453	R158-P448 VanDerWaalsContact CZ-CB 3.48Å; R158-P448 VanDerWaalsContact NH1-CG 3.32Å; Q204-P448 WeakPolarHBondContact O-CD 3.46Å; T323-P448 HydrophobicContact CG2-CB 3.96Å; T323-P448 WeakPolarHBondContact OG1-CA 3.3Å; P448-R453 PolarHBondContact O-NE 3.14Å; P448-R453 PolarHBondContact O-NH2 2.94Å
449	S	92.3	Very high	88	Confident	3 Å²	3	21.2 Å²	21.2	2%	0.021	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-65.9	151.6	-165.5	71.6	0	0	0	0	113	R158 D322 T323 F451 D452 R453 N695	R158-S449 PolarHBondContact NH1-O 3.25Å; D322-S449 WeakPolarHBondContact OD2-CB 3.45Å; D322-S449 PolarHBondContact OD2-OG 3.14Å; T323-S449 PolarHBondContact OG1-N 3.01Å; S449-F451 PolarHBondContact O-N 2.92Å; S449-D452 PolarHBondContact O-N 3.14Å; S449-D452 VanDerWaalsContact O-N 3.11Å; S449-D452 PolarHBondContact OG-N 2.89Å; S449-R453 VanDerWaalsContact O-CG 3.22Å; S449-R453 WeakPolarHBondContact O-CG 3.42Å; S449-R453 PolarHBondContact O-N 3.24Å; S449-N695 WeakPolarHBondContact CA-OD1 3.31Å
450	A	92.4	Very high	87.7	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-56.2	-37.1	-178.5	0	0	0	0	0	112.6	R453 Q454 L694 N695	A450-R453 PolarHBondContact O-N 3.17Å; A450-Q454 WeakPolarHBondContact O-CG 3.43Å; A450-Q454 PolarHBondContact O-N 2.84Å; A450-Q454 VanDerWaalsContact O-N 3.15Å; A450-Q454 PolarHBondContact O-NE2 2.95Å; A450-L694 HydrophobicContact CB-CB 3.94Å; A450-N695 HydrophobicContact CB-CB 4.4Å; A450-N695 PolarHBondContact N-OD1 2.91Å
451	F	91.7	Very high	87.7	Confident	20 Å²	20	19.8 Å²	19.8	9%	0.088	12%	0.115	C	C	.	.	H	α-helix	trans	-59.3	-55.7	172.9	-179.8	-90.3	0	0	0	111.6	M317 D322 S449 R453 Q454 L455 L481 F819	M317-F451 HydrophobicContact CB-CE1 4.28Å; M317-F451 HydrophobicContact CG-CE1 3.94Å; D322-F451 HydrophobicContact CB-CD1 3.95Å; S449-F451 PolarHBondContact O-N 2.92Å; F451-R453 PolarHBondContact O-N 3.44Å; F451-R453 VanDerWaalsContact O-N 3.17Å; F451-Q454 PolarHBondContact O-N 3.38Å; F451-Q454 VanDerWaalsContact O-N 3.12Å; F451-L455 HydrophobicContact CE1-CB 4.45Å; F451-L455 HydrophobicContact CE1-CD2 4.02Å; F451-L455 PolarHBondContact O-N 3.43Å; F451-L481 HydrophobicContact CZ-CD2 3.8Å; F451-F819 HydrophobicContact CD2-CD2 4.42Å; F451-F819 HydrophobicContact CD2-CE2 4.17Å; F451-F819 HydrophobicContact CE2-CE2 4.01Å
452	D	90.7	Very high	87.9	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.5	-26.8	178.4	-76.4	-45.3	0	0	0	111.4	R158 G320 D322 T323 S449 L455 G456	R158-D452 VanDerWaalsContact NH1-CB 3.28Å; G320-D452 WeakPolarHBondContact CA-OD2 3.38Å; G320-D452 VanDerWaalsContact N-CG 3.28Å; G320-D452 PolarHBondContact N-OD1 3.2Å; G320-D452 PolarHBondContact N-OD2 2.9Å; D322-D452 PolarHBondContact N-OD2 3.16Å; T323-D452 VanDerWaalsContact CB-OD2 3.26Å; T323-D452 WeakPolarHBondContact CB-OD2 3.13Å; T323-D452 PolarHBondContact N-OD2 2.71Å; T323-D452 PolarHBondContact OG1-OD2 2.62Å; S449-D452 PolarHBondContact O-N 3.14Å; S449-D452 VanDerWaalsContact O-N 3.11Å; S449-D452 PolarHBondContact OG-N 2.89Å; D452-L455 PolarHBondContact O-N 2.84Å; D452-G456 PolarHBondContact O-N 3.27Å
453	R	89.8	Confident	87.9	Confident	2 Å²	2	11.5 Å²	11.5	1%	0.008	7%	0.071	C	C	.	.	H	α-helix	trans	-64.5	-46.1	176.7	-53.7	-165.4	-173.8	-173	1.1	110.1	R158 P448 S449 A450 F451 S457 D702 A735	R158-R453 VanDerWaalsContact CD-CG 3.45Å; P448-R453 PolarHBondContact O-NE 3.14Å; P448-R453 PolarHBondContact O-NH2 2.94Å; S449-R453 VanDerWaalsContact O-CG 3.22Å; S449-R453 WeakPolarHBondContact O-CG 3.42Å; S449-R453 PolarHBondContact O-N 3.24Å; A450-R453 PolarHBondContact O-N 3.17Å; F451-R453 PolarHBondContact O-N 3.44Å; F451-R453 VanDerWaalsContact O-N 3.17Å; R453-S457 VanDerWaalsContact O-CB 3.24Å; R453-S457 WeakPolarHBondContact O-CB 3.35Å; R453-S457 PolarHBondContact O-N 3.24Å; R453-S457 VanDerWaalsContact O-N 3.13Å; R453-S457 PolarHBondContact O-OG 3.02Å; R453-D702 IonicContact CZ-OD2 2.74Å; R453-D702 IonicContact NH1-OD1 3.22Å; R453-D702 PolarHBondContact NH1-OD1 3.37Å; R453-D702 IonicContact NH1-OD2 2.86Å; R453-D702 PolarHBondContact NH1-OD2 3.42Å; R453-D702 IonicContact NH2-OD2 3.74Å; R453-D702 PolarHBondContact NH2-OD2 3.45Å; R453-A735 HydrophobicContact CB-CB 3.99Å; R453-A735 WeakPolarHBondContact CD-O 3.45Å
454	Q	89.1	Confident	88	Confident	8 Å²	8	11.5 Å²	11.5	4%	0.037	7%	0.071	C	C	.	.	H	α-helix	trans	-67	-38.5	175	-62.3	159.6	60.9	0	0	111.5	A450 F451 S457 R458 V731 A735	A450-Q454 WeakPolarHBondContact O-CG 3.43Å; A450-Q454 PolarHBondContact O-N 2.84Å; A450-Q454 VanDerWaalsContact O-N 3.15Å; A450-Q454 PolarHBondContact O-NE2 2.95Å; F451-Q454 PolarHBondContact O-N 3.38Å; F451-Q454 VanDerWaalsContact O-N 3.12Å; Q454-S457 VanDerWaalsContact O-CB 3.32Å; Q454-S457 WeakPolarHBondContact O-CB 3.11Å; Q454-S457 PolarHBondContact O-N 3.16Å; Q454-R458 WeakPolarHBondContact O-CB 3.29Å; Q454-R458 WeakPolarHBondContact O-CD 3.41Å; Q454-R458 WeakPolarHBondContact O-CG 3.1Å; Q454-R458 PolarHBondContact O-N 2.81Å; Q454-V731 HydrophobicContact CG-CG1 3.97Å; Q454-A735 HydrophobicContact CG-CB 4.04Å
455	L	89.3	Confident	88.6	Confident	3 Å²	3	10.7 Å²	10.7	2%	0.016	7%	0.069	C	C	.	.	H	α-helix	trans	-63.6	-54.7	-178.7	-171	63.1	0	0	0	111.4	M317 I319 F451 D452 S457 R458 M459 L481 I486	M317-L455 HydrophobicContact CB-CD2 4.46Å; I319-L455 HydrophobicContact CG1-CD2 4.05Å; I319-L455 HydrophobicContact CG1-CG 4.15Å; F451-L455 HydrophobicContact CE1-CB 4.45Å; F451-L455 HydrophobicContact CE1-CD2 4.02Å; F451-L455 PolarHBondContact O-N 3.43Å; D452-L455 PolarHBondContact O-N 2.84Å; L455-S457 PolarHBondContact O-N 3.33Å; L455-R458 PolarHBondContact O-N 3.39Å; L455-M459 HydrophobicContact CD1-CE 3.66Å; L455-M459 HydrophobicContact CD1-CG 4.25Å; L455-M459 HydrophobicContact CD1-SD 4Å; L455-M459 HydrophobicContact CD2-CE 4.4Å; L455-M459 HydrophobicContact CD2-SD 4.48Å; L455-M459 HydrophobicContact CG-CE 4.05Å; L455-M459 HydrophobicContact CG-CG 4.46Å; L455-M459 HydrophobicContact CG-SD 3.86Å; L455-M459 VanDerWaalsContact O-CB 3.27Å; L455-M459 WeakPolarHBondContact O-CB 3.17Å; L455-M459 VanDerWaalsContact O-CG 3.3Å; L455-M459 WeakPolarHBondContact O-CG 3.3Å; L455-M459 PolarHBondContact O-N 2.88Å; L455-L481 HydrophobicContact CD1-CB 4.15Å; L455-L481 HydrophobicContact CD1-CD1 4.21Å; L455-L481 HydrophobicContact CD1-CD2 4.07Å; L455-L481 HydrophobicContact CD1-CG 4.38Å; L455-I486 HydrophobicContact CD1-CD1 4.35Å
456	G	86.4	Confident	89.1	Confident	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-59.6	-33.9	175.3	0	0	0	0	0	112.5	F159 D452 G460	F159-G456 WeakPolarHBondContact CA-O 3.2Å; F159-G456 VanDerWaalsContact CB-O 3.32Å; F159-G456 WeakPolarHBondContact CB-O 3.5Å; D452-G456 PolarHBondContact O-N 3.27Å; G456-G460 PolarHBondContact O-N 3.23Å
457	S	86.2	Confident	89.5	Confident	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61.6	-57.3	174	-65.5	0	0	0	0	113	I162 R453 Q454 L455 G460 A461	I162-S457 WeakPolarHBondContact CD1-OG 3.45Å; I162-S457 VanDerWaalsContact CG2-O 3.23Å; I162-S457 WeakPolarHBondContact CG2-O 3.41Å; R453-S457 VanDerWaalsContact O-CB 3.24Å; R453-S457 WeakPolarHBondContact O-CB 3.35Å; R453-S457 PolarHBondContact O-N 3.24Å; R453-S457 VanDerWaalsContact O-N 3.13Å; R453-S457 PolarHBondContact O-OG 3.02Å; Q454-S457 VanDerWaalsContact O-CB 3.32Å; Q454-S457 WeakPolarHBondContact O-CB 3.11Å; Q454-S457 PolarHBondContact O-N 3.16Å; L455-S457 PolarHBondContact O-N 3.33Å; S457-G460 PolarHBondContact O-N 2.75Å; S457-A461 PolarHBondContact O-N 2.83Å
458	R	89.5	Confident	89.6	Confident	11 Å²	11	4.6 Å²	4.6	4%	0.042	2%	0.023	C	C	.	.	H	α-helix	trans	-66.9	-42.8	-175.4	-64.1	163.8	68.9	-171.7	2.7	110.8	E113 Q454 L455 A461 E462 N484 I486 L894	E113-R458 IonicContact OE1-CZ 3.78Å; E113-R458 IonicContact OE1-NE 3.81Å; E113-R458 IonicContact OE1-NH2 3.73Å; E113-R458 PolarHBondContact OE1-NH2 3.48Å; E113-R458 WeakPolarHBondContact OE2-CB 3.24Å; E113-R458 VanDerWaalsContact OE2-CG 3.3Å; E113-R458 WeakPolarHBondContact OE2-CG 3.38Å; E113-R458 IonicContact OE2-CZ 2.79Å; E113-R458 IonicContact OE2-NE 2.62Å; E113-R458 PolarHBondContact OE2-NE 3.24Å; E113-R458 IonicContact OE2-NH2 3.66Å; E113-R458 PolarHBondContact OE2-NH2 3.27Å; Q454-R458 WeakPolarHBondContact O-CB 3.29Å; Q454-R458 WeakPolarHBondContact O-CD 3.41Å; Q454-R458 WeakPolarHBondContact O-CG 3.1Å; Q454-R458 PolarHBondContact O-N 2.81Å; L455-R458 PolarHBondContact O-N 3.39Å; R458-A461 PolarHBondContact O-N 2.94Å; R458-E462 PolarHBondContact O-N 2.59Å; R458-E462 VanDerWaalsContact O-N 3.08Å; R458-N484 PolarHBondContact NH1-OD1 2.97Å; R458-N484 PolarHBondContact NH2-O 3.01Å; R458-I486 HydrophobicContact CB-CD1 3.88Å; R458-I486 HydrophobicContact CB-CG1 3.81Å; R458-L894 HydrophobicContact CG-CD2 4.19Å
459	M	89.9	Confident	89.5	Confident	4 Å²	4	7.6 Å²	7.6	2%	0.02	4%	0.04	C	C	.	.	H	α-helix	trans	-63.7	-40.2	175.4	-72.4	-176.8	163	0	0	113	L304 I319 L455 E462 A463 I479 L481 I486	L304-M459 HydrophobicContact CD2-CB 3.92Å; I319-M459 HydrophobicContact CD1-SD 3.73Å; I319-M459 HydrophobicContact CG1-SD 3.72Å; L455-M459 HydrophobicContact CD1-CE 3.66Å; L455-M459 HydrophobicContact CD1-CG 4.25Å; L455-M459 HydrophobicContact CD1-SD 4Å; L455-M459 HydrophobicContact CD2-CE 4.4Å; L455-M459 HydrophobicContact CD2-SD 4.48Å; L455-M459 HydrophobicContact CG-CE 4.05Å; L455-M459 HydrophobicContact CG-CG 4.46Å; L455-M459 HydrophobicContact CG-SD 3.86Å; L455-M459 VanDerWaalsContact O-CB 3.27Å; L455-M459 WeakPolarHBondContact O-CB 3.17Å; L455-M459 VanDerWaalsContact O-CG 3.3Å; L455-M459 WeakPolarHBondContact O-CG 3.3Å; L455-M459 PolarHBondContact O-N 2.88Å; M459-E462 PolarHBondContact O-N 3.32Å; M459-A463 WeakPolarHBondContact O-CB 3.38Å; M459-A463 PolarHBondContact O-N 3.33Å; M459-I479 HydrophobicContact CB-CG2 4.18Å; M459-I479 HydrophobicContact CG-CG2 3.97Å; M459-L481 HydrophobicContact CE-CB 4.22Å; M459-I486 HydrophobicContact CG-CD1 4.2Å
460	G	88.6	Confident	89.1	Confident	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-64.5	-38.6	177.7	0	0	0	0	0	113.1	G456 S457 V464	G456-G460 PolarHBondContact O-N 3.23Å; S457-G460 PolarHBondContact O-N 2.75Å; G460-V464 PolarHBondContact O-N 2.86Å
461	A	88.5	Confident	88.5	Confident	7 Å²	7	10.8 Å²	10.8	6%	0.058	6%	0.061	C	C	.	.	H	α-helix	trans	-66.1	-49.5	174.6	0	0	0	0	0	111.4	I162 M166 S457 R458 A463 V464 L465 L897	I162-A461 HydrophobicContact CG2-CB 3.79Å; M166-A461 HydrophobicContact CE-CB 3.9Å; S457-A461 PolarHBondContact O-N 2.83Å; R458-A461 PolarHBondContact O-N 2.94Å; A461-A463 VanDerWaalsContact C-N 3.29Å; A461-A463 PolarHBondContact O-N 3.08Å; A461-V464 PolarHBondContact O-N 3.16Å; A461-L465 PolarHBondContact O-N 2.91Å; A461-L897 HydrophobicContact CB-CD1 3.75Å; A461-L897 HydrophobicContact CB-CD2 4.26Å
462	E	91.1	Very high	87.7	Confident	4 Å²	4	13.2 Å²	13.2	2%	0.019	8%	0.079	C	C	.	.	H	α-helix	trans	-63.9	-33.3	179.8	-172.7	62.8	-151.2	0	0	112.3	G111 R112 R458 M459 V464 L465 A466 I479 I486 R488	G111-E462 WeakPolarHBondContact CA-OE1 3.38Å; R112-E462 VanDerWaalsContact N-CD 3.3Å; R112-E462 PolarHBondContact N-OE1 3.29Å; R112-E462 VanDerWaalsContact N-OE1 3.11Å; R112-E462 PolarHBondContact N-OE2 3.16Å; R458-E462 PolarHBondContact O-N 2.59Å; R458-E462 VanDerWaalsContact O-N 3.08Å; M459-E462 PolarHBondContact O-N 3.32Å; E462-V464 VanDerWaalsContact C-N 3.33Å; E462-V464 PolarHBondContact O-N 2.85Å; E462-L465 PolarHBondContact O-N 3.34Å; E462-A466 VanDerWaalsContact O-CB 3.31Å; E462-A466 WeakPolarHBondContact O-CB 3.44Å; E462-A466 PolarHBondContact O-N 2.89Å; E462-I479 HydrophobicContact CB-CG2 4Å; E462-I479 HydrophobicContact CG-CD1 4.04Å; E462-I479 HydrophobicContact CG-CG2 3.96Å; E462-I486 HydrophobicContact CB-CG2 3.89Å; E462-I486 HydrophobicContact CG-CG2 3.82Å; E462-R488 IonicContact OE1-CZ 3.2Å; E462-R488 IonicContact OE1-NE 2.75Å; E462-R488 PolarHBondContact OE1-NE 2.99Å; E462-R488 IonicContact OE1-NH2 3.32Å; E462-R488 PolarHBondContact OE1-NH2 2.98Å
463	A	89.7	Confident	87.1	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.7	-36.4	176.1	0	0	0	0	0	112.9	V240 V302 L304 M459 A461 L467 I479	V240-A463 HydrophobicContact CG2-CB 4.02Å; V302-A463 HydrophobicContact CG1-CB 3.91Å; L304-A463 HydrophobicContact CD1-CB 4.32Å; L304-A463 HydrophobicContact CD2-CB 4.16Å; L304-A463 HydrophobicContact CG-CB 4.4Å; M459-A463 WeakPolarHBondContact O-CB 3.38Å; M459-A463 PolarHBondContact O-N 3.33Å; A461-A463 VanDerWaalsContact C-N 3.29Å; A461-A463 PolarHBondContact O-N 3.08Å; A463-L467 WeakPolarHBondContact O-CG 3.17Å; A463-L467 PolarHBondContact O-N 2.91Å; A463-L467 VanDerWaalsContact O-N 3.13Å; A463-I479 HydrophobicContact CB-CG1 3.99Å
464	V	90.9	Very high	86.7	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.1	-47.4	172.8	179.8	0	0	0	0	110.3	L127 F163 M166 L170 G460 A461 E462 A466 L467 M468	L127-V464 HydrophobicContact CD1-CG1 4.05Å; F163-V464 HydrophobicContact CB-CG2 4.44Å; F163-V464 HydrophobicContact CD2-CG2 3.32Å; F163-V464 HydrophobicContact CE2-CG2 3.74Å; F163-V464 HydrophobicContact CG-CG2 4.11Å; M166-V464 HydrophobicContact CB-CB 4.37Å; M166-V464 HydrophobicContact CB-CG2 4.16Å; M166-V464 HydrophobicContact CG-CB 3.92Å; M166-V464 HydrophobicContact CG-CG1 3.95Å; M166-V464 HydrophobicContact CG-CG2 4.27Å; L170-V464 HydrophobicContact CD1-CG1 3.52Å; G460-V464 PolarHBondContact O-N 2.86Å; A461-V464 PolarHBondContact O-N 3.16Å; E462-V464 VanDerWaalsContact C-N 3.33Å; E462-V464 PolarHBondContact O-N 2.85Å; V464-A466 VanDerWaalsContact C-N 3.32Å; V464-A466 PolarHBondContact O-N 2.89Å; V464-L467 PolarHBondContact O-N 2.73Å; V464-M468 WeakPolarHBondContact O-CG 3.32Å; V464-M468 PolarHBondContact O-N 3.07Å
465	L	90	Very high	86.2	Confident	13 Å²	13	27 Å²	27	7%	0.068	15%	0.152	C	C	.	.	H	α-helix	trans	-61.4	-41	178.6	-62.5	178.2	0	0	0	111.7	R112 V117 A461 E462 L467 M468 D469	R112-L465 HydrophobicContact CB-CD1 3.97Å; V117-L465 HydrophobicContact CG1-CD2 4.34Å; V117-L465 HydrophobicContact CG2-CD2 4.12Å; A461-L465 PolarHBondContact O-N 2.91Å; E462-L465 PolarHBondContact O-N 3.34Å; L465-L467 PolarHBondContact O-N 2.97Å; L465-M468 WeakPolarHBondContact O-CB 3.41Å; L465-M468 PolarHBondContact O-N 3.45Å; L465-D469 PolarHBondContact O-N 3.47Å
466	A	89.7	Confident	85.9	Confident	2 Å²	2	27.4 Å²	27.4	2%	0.017	15%	0.154	C	C	.	.	H	α-helix	trans	-60.2	-43.6	175.1	0	0	0	0	0	112.6	V302 E462 V464 M468 D469 T470 I479	V302-A466 HydrophobicContact CG2-CB 3.83Å; E462-A466 VanDerWaalsContact O-CB 3.31Å; E462-A466 WeakPolarHBondContact O-CB 3.44Å; E462-A466 PolarHBondContact O-N 2.89Å; V464-A466 VanDerWaalsContact C-N 3.32Å; V464-A466 PolarHBondContact O-N 2.89Å; A466-M468 VanDerWaalsContact C-N 3.26Å; A466-M468 PolarHBondContact O-N 3.24Å; A466-D469 PolarHBondContact O-N 2.81Å; A466-T470 WeakPolarHBondContact O-CG2 3.28Å; A466-T470 PolarHBondContact O-N 2.77Å; A466-T470 VanDerWaalsContact O-N 3.17Å; A466-I479 HydrophobicContact CB-CD1 4Å
467	L	89.6	Confident	85.9	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.3	-21.6	173.3	-73.4	172.2	0	0	0	113.8	L127 F163 N238 V240 N300 V302 A463 V464 L465 T470	L127-L467 HydrophobicContact CD2-CB 4.39Å; L127-L467 HydrophobicContact CD2-CD1 3.97Å; F163-L467 HydrophobicContact CE2-CD1 4.42Å; N238-L467 HydrophobicContact CB-CB 4.33Å; N238-L467 HydrophobicContact CB-CD1 4.13Å; N238-L467 HydrophobicContact CB-CD2 4.17Å; N238-L467 HydrophobicContact CB-CG 4.46Å; V240-L467 HydrophobicContact CG2-CD1 3.48Å; V240-L467 VanDerWaalsContact CG2-CD1 3.48Å; N300-L467 HydrophobicContact CB-CD2 3.71Å; V302-L467 HydrophobicContact CB-CD2 4.3Å; V302-L467 HydrophobicContact CB-CG 4.2Å; V302-L467 HydrophobicContact CG2-CD2 3.76Å; V302-L467 HydrophobicContact CG2-CG 3.75Å; A463-L467 WeakPolarHBondContact O-CG 3.17Å; A463-L467 PolarHBondContact O-N 2.91Å; A463-L467 VanDerWaalsContact O-N 3.13Å; V464-L467 PolarHBondContact O-N 2.73Å; L465-L467 PolarHBondContact O-N 2.97Å; L467-T470 PolarHBondContact O-OG1 2.86Å; L467-T470 VanDerWaalsContact O-OG1 3.05Å
468	M	87.8	Confident	85.9	Confident	14 Å²	14	28 Å²	28	7%	0.069	16%	0.159	C	C	.	.	H	α-helix	trans	-79.9	-38.3	174	-70.5	-44.7	112.6	0	0	112.1	M122 R125 L127 L170 V464 L465 A466	M122-M468 HydrophobicContact CB-SD 3.88Å; M122-M468 HydrophobicContact CE-CB 3.68Å; M122-M468 HydrophobicContact CE-CG 4.05Å; M122-M468 HydrophobicContact CE-SD 3.9Å; M122-M468 HydrophobicContact CG-CG 4.05Å; M122-M468 HydrophobicContact CG-SD 3.59Å; M122-M468 VanDerWaalsContact CG-SD 3.59Å; M122-M468 HydrophobicContact SD-SD 4.11Å; R125-M468 PolarHBondContact NH1-O 3.09Å; L127-M468 HydrophobicContact CD1-CE 4.3Å; L127-M468 HydrophobicContact CD2-CE 3.46Å; L127-M468 VanDerWaalsContact CD2-CE 3.46Å; L127-M468 HydrophobicContact CG-CE 4.16Å; L170-M468 HydrophobicContact CD1-CG 3.97Å; V464-M468 WeakPolarHBondContact O-CG 3.32Å; V464-M468 PolarHBondContact O-N 3.07Å; L465-M468 WeakPolarHBondContact O-CB 3.41Å; L465-M468 PolarHBondContact O-N 3.45Å; A466-M468 VanDerWaalsContact C-N 3.26Å; A466-M468 PolarHBondContact O-N 3.24Å
469	D	86.5	Confident	85.9	Confident	69 Å²	69	27.5 Å²	27.5	37%	0.369	16%	0.157	S	C	.	.	H	α-helix	trans	-80.2	-12.9	-178.7	-59.7	-31.3	0	0	0	113.9	R112 L465 A466 S471 R488	R112-D469 WeakPolarHBondContact CD-OD2 3.37Å; R112-D469 IonicContact NH1-OD1 3.62Å; R112-D469 PolarHBondContact NH1-OD1 2.98Å; R112-D469 IonicContact NH1-OD2 3.72Å; L465-D469 PolarHBondContact O-N 3.47Å; A466-D469 PolarHBondContact O-N 2.81Å; D469-S471 PolarHBondContact O-N 3.11Å; D469-R488 IonicContact OD2-CZ 2.75Å; D469-R488 IonicContact OD2-NH1 3.67Å; D469-R488 PolarHBondContact OD2-NH1 3.48Å; D469-R488 IonicContact OD2-NH2 2.72Å; D469-R488 PolarHBondContact OD2-NH2 2.78Å
470	T	83	Confident	85.9	Confident	20 Å²	20	27.3 Å²	27.3	12%	0.123	16%	0.156	C	C	.	.			trans	-66.5	128.9	-176.7	38	0	0	0	0	114	N300 A466 L467 T474	N300-T470 VanDerWaalsContact CG-OG1 3.32Å; N300-T470 PolarHBondContact ND2-OG1 3.42Å; A466-T470 WeakPolarHBondContact O-CG2 3.28Å; A466-T470 PolarHBondContact O-N 2.77Å; A466-T470 VanDerWaalsContact O-N 3.17Å; L467-T470 PolarHBondContact O-OG1 2.86Å; L467-T470 VanDerWaalsContact O-OG1 3.05Å; T470-T474 HydrophobicContact CG2-CG2 3.87Å
471	S	80	Confident	85.8	Confident	49 Å²	49	27.7 Å²	27.7	34%	0.343	16%	0.158	S	C	.	.			trans	-91.6	166.2	162.2	77.5	0	0	0	0	111.7	D469 D473 T474	D469-S471 PolarHBondContact O-N 3.11Å; S471-D473 PolarHBondContact O-N 3.35Å; S471-T474 PolarHBondContact N-OG1 3.26Å; S471-T474 VanDerWaalsContact O-CB 3.31Å; S471-T474 WeakPolarHBondContact O-CB 3.33Å; S471-T474 PolarHBondContact O-N 2.88Å; S471-T474 PolarHBondContact O-OG1 3.33Å; S471-T474 PolarHBondContact OG-N 2.9Å; S471-T474 PolarHBondContact OG-OG1 2.85Å
472	P	74.9	Confident	85.7	Confident	72 Å²	72	29.6 Å²	29.6	47%	0.468	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-39.3	174.6	-29.4	37.8	0	0	0	114.1	R272	R272-P472 PolarHBondContact NH2-O 3.01Å
473	D	78.8	Confident	85.3	Confident	150 Å²	150	30.1 Å²	30.1	80%	0.802	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-10.5	-177.9	-46.1	-64.1	0	0	0	113.5	S471 E475	S471-D473 PolarHBondContact O-N 3.35Å; D473-E475 PolarHBondContact O-N 2.7Å
474	T	80.3	Confident	85	Confident	51 Å²	51	30.6 Å²	30.6	31%	0.313	18%	0.176	S	C	.	.			trans	-67.4	115.5	-178.5	-61.7	0	0	0	0	109.7	R272 T470 S471	R272-T474 PolarHBondContact NH1-O 2.8Å; R272-T474 PolarHBondContact NH2-O 2.9Å; T470-T474 HydrophobicContact CG2-CG2 3.87Å; S471-T474 PolarHBondContact N-OG1 3.26Å; S471-T474 VanDerWaalsContact O-CB 3.31Å; S471-T474 WeakPolarHBondContact O-CB 3.33Å; S471-T474 PolarHBondContact O-N 2.88Å; S471-T474 PolarHBondContact O-OG1 3.33Å; S471-T474 PolarHBondContact OG-N 2.9Å; S471-T474 PolarHBondContact OG-OG1 2.85Å
475	E	79.5	Confident	84.7	Confident	98 Å²	98	32.3 Å²	32.3	46%	0.458	19%	0.188	S	C	.	.			trans	-57.2	146.6	175.6	66.7	178.7	154.5	0	0	111.4	D473 S477 P490	D473-E475 PolarHBondContact O-N 2.7Å; E475-S477 PolarHBondContact O-N 2.89Å; E475-P490 WeakPolarHBondContact OE1-CB 3.2Å; E475-P490 WeakPolarHBondContact OE1-CG 3.23Å
476	P	83.2	Confident	84.7	Confident	11 Å²	11	32 Å²	32	7%	0.071	19%	0.186	C	C	.	.			trans	-60.4	143.1	176.8	-12.9	23.8	0	0	0	110.5	N269 L491	N269-P476 VanDerWaalsContact OD1-CG 3.25Å; N269-P476 WeakPolarHBondContact OD1-CG 3.49Å; P476-L491 HydrophobicContact CB-CB 4.03Å; P476-L491 HydrophobicContact CB-CD2 3.54Å; P476-L491 HydrophobicContact CB-CG 4.41Å; P476-L491 HydrophobicContact CG-CD2 4.06Å; P476-L491 WeakPolarHBondContact O-CB 3.37Å; P476-L491 PolarHBondContact O-N 3.46Å
477	S	86	Confident	84.8	Confident	14 Å²	14	32 Å²	32	10%	0.098	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	153.5	179.4	54.5	0	0	0	0	112.1	V302 G303 E475 V489	V302-S477 WeakPolarHBondContact CA-O 3.19Å; G303-S477 PolarHBondContact N-O 3.33Å; E475-S477 PolarHBondContact O-N 2.89Å; S477-V489 CarbonylContact C-O 3.58Å; S477-V489 WeakPolarHBondContact CA-O 3.31Å
478	V	86.2	Confident	84.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.3	161.8	-179.9	0	0	0	0	107.7	I265 G303 V305 F312 V489 L491	I265-V478 HydrophobicContact CD1-CG2 4.41Å; G303-V478 VanDerWaalsContact O-CA 3.3Å; G303-V478 WeakPolarHBondContact O-CA 3.43Å; V305-V478 HydrophobicContact CG2-CG1 3.57Å; F312-V478 HydrophobicContact CE1-CB 4.38Å; F312-V478 HydrophobicContact CE1-CG1 4.02Å; F312-V478 HydrophobicContact CE1-CG2 4.1Å; F312-V478 HydrophobicContact CZ-CG2 4.05Å; V478-V489 HydrophobicContact CB-CG2 3.95Å; V478-V489 PolarHBondContact N-O 3.04Å; V478-V489 WeakPolarHBondContact O-CG2 3.36Å; V478-V489 PolarHBondContact O-N 2.76Å; V478-L491 HydrophobicContact CG2-CB 4.49Å; V478-L491 HydrophobicContact CG2-CD1 3.25Å; V478-L491 HydrophobicContact CG2-CG 4.48Å
479	I	90.2	Very high	84.8	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	122	166.8	-45.2	-52.6	0	0	0	108.1	V302 G303 L304 M459 E462 A463 A466 I486 R488	V302-I479 HydrophobicContact CG1-CD1 3.78Å; V302-I479 HydrophobicContact CG1-CG1 3.69Å; G303-I479 PolarHBondContact O-N 3.4Å; L304-I479 HydrophobicContact CD2-CB 3.52Å; L304-I479 HydrophobicContact CD2-CG1 3.64Å; M459-I479 HydrophobicContact CB-CG2 4.18Å; M459-I479 HydrophobicContact CG-CG2 3.97Å; E462-I479 HydrophobicContact CB-CG2 4Å; E462-I479 HydrophobicContact CG-CD1 4.04Å; E462-I479 HydrophobicContact CG-CG2 3.96Å; A463-I479 HydrophobicContact CB-CG1 3.99Å; A466-I479 HydrophobicContact CB-CD1 4Å; I479-I486 HydrophobicContact CG2-CG2 3.29Å; I479-R488 HydrophobicContact CD1-CG 3.99Å
480	A	88.7	Confident	84.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	164.1	-174.2	0	0	0	0	0	111.2	G314 V487 V489	G314-A480 WeakPolarHBondContact O-CB 3.45Å; A480-V487 HydrophobicContact CB-CG2 4.08Å; A480-V487 PolarHBondContact N-O 3.28Å; A480-V487 WeakPolarHBondContact O-CG2 3.45Å; A480-V487 PolarHBondContact O-N 3.23Å; A480-V489 HydrophobicContact CB-CG1 4.23Å; A480-V489 HydrophobicContact CB-CG2 3.66Å
481	L	88.3	Confident	84.7	Confident	8 Å²	8	29.5 Å²	29.5	4%	0.042	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.3	171.2	-174.8	71.5	0	0	0	109.5	T315 D316 M317 F451 L455 M459 G483 I486	T315-L481 PolarHBondContact OG1-N 2.91Å; D316-L481 PolarHBondContact N-O 2.67Å; M317-L481 HydrophobicContact CB-CD2 4.18Å; F451-L481 HydrophobicContact CZ-CD2 3.8Å; L455-L481 HydrophobicContact CD1-CB 4.15Å; L455-L481 HydrophobicContact CD1-CD1 4.21Å; L455-L481 HydrophobicContact CD1-CD2 4.07Å; L455-L481 HydrophobicContact CD1-CG 4.38Å; M459-L481 HydrophobicContact CE-CB 4.22Å; L481-G483 WeakPolarHBondContact CG-O 3.38Å; L481-I486 HydrophobicContact CD1-CD1 4.05Å
482	D	85.8	Confident	84.6	Confident	47 Å²	47	30.8 Å²	30.8	25%	0.251	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	104.9	171.2	-179.5	-7.6	0	0	0	107.4	N484 S485 V487 R865	D482-N484 PolarHBondContact O-N 2.84Å; D482-N484 VanDerWaalsContact O-N 3.15Å; D482-S485 PolarHBondContact N-O 2.74Å; D482-S485 PolarHBondContact O-N 3.12Å; D482-V487 HydrophobicContact CB-CG1 4.13Å; D482-V487 HydrophobicContact CB-CG2 3.85Å; D482-R865 WeakPolarHBondContact OD1-CD 3.05Å; D482-R865 WeakPolarHBondContact OD1-CG 3.38Å; D482-R865 VanDerWaalsContact OD2-CD 3.31Å; D482-R865 WeakPolarHBondContact OD2-CD 3.49Å; D482-R865 IonicContact OD2-CZ 2.68Å; D482-R865 IonicContact OD2-NE 3.24Å; D482-R865 IonicContact OD2-NH1 3.21Å; D482-R865 PolarHBondContact OD2-NH1 3.31Å
483	G	82.5	Confident	85	Confident	15 Å²	15	30.1 Å²	30.1	16%	0.155	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	-110.9	-166.5	0	0	0	0	0	112.7	D316 L481	D316-G483 PolarHBondContact OD2-N 3.17Å; L481-G483 WeakPolarHBondContact CG-O 3.38Å
484	N	83.4	Confident	85.2	Confident	10 Å²	10	23 Å²	23	5%	0.053	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	5	172.3	-167.8	25.5	0	0	0	113.4	R458 D482 F686 D864 W890	R458-N484 PolarHBondContact NH1-OD1 2.97Å; R458-N484 PolarHBondContact NH2-O 3.01Å; D482-N484 PolarHBondContact O-N 2.84Å; D482-N484 VanDerWaalsContact O-N 3.15Å; N484-F686 HydrophobicContact CB-CE2 3.76Å; N484-F686 HydrophobicContact CB-CZ 4.35Å; N484-F686 VanDerWaalsContact CG-CE2 3.42Å; N484-F686 VanDerWaalsContact OD1-CZ 3.27Å; N484-F686 WeakPolarHBondContact OD1-CZ 3.08Å; N484-D864 PolarHBondContact N-O 2.7Å; N484-W890 VanDerWaalsContact ND2-CD2 3.28Å; N484-W890 VanDerWaalsContact ND2-CE3 3.33Å; N484-W890 VanDerWaalsContact ND2-CH2 3.29Å; N484-W890 WeakPolarHBondContact ND2-CH2 3.02Å; N484-W890 WeakPolarHBondContact ND2-CZ2 3.26Å; N484-W890 VanDerWaalsContact ND2-CZ3 3.34Å; N484-W890 WeakPolarHBondContact ND2-CZ3 3.35Å
485	S	85.1	Confident	85	Confident	36 Å²	36	20.6 Å²	20.6	25%	0.252	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.4	-178.6	-60	0	0	0	0	111.2	D482	D482-S485 PolarHBondContact N-O 2.74Å; D482-S485 PolarHBondContact O-N 3.12Å
486	I	89.9	Confident	85.1	Confident	6 Å²	6	21.4 Å²	21.4	3%	0.031	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	132.1	165.1	-54	-58.4	0	0	0	108.8	G111 L455 R458 M459 E462 I479 L481	G111-I486 PolarHBondContact N-O 3.29Å; G111-I486 VanDerWaalsContact N-O 3.15Å; L455-I486 HydrophobicContact CD1-CD1 4.35Å; R458-I486 HydrophobicContact CB-CD1 3.88Å; R458-I486 HydrophobicContact CB-CG1 3.81Å; M459-I486 HydrophobicContact CG-CD1 4.2Å; E462-I486 HydrophobicContact CB-CG2 3.89Å; E462-I486 HydrophobicContact CG-CG2 3.82Å; I479-I486 HydrophobicContact CG2-CG2 3.29Å; L481-I486 HydrophobicContact CD1-CD1 4.05Å
487	V	90.7	Very high	85.1	Confident	1 Å²	1	22 Å²	22	1%	0.006	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	154.2	-178	-66.3	0	0	0	0	111.1	A108 C109 A480 D482 V489	A108-V487 HydrophobicContact CB-CB 4.05Å; A108-V487 HydrophobicContact CB-CG1 4.37Å; A108-V487 HydrophobicContact CB-CG2 4.1Å; C109-V487 CarbonylContact O-C 3.53Å; C109-V487 WeakPolarHBondContact O-CA 3.38Å; C109-V487 WeakPolarHBondContact O-CB 3.29Å; A480-V487 HydrophobicContact CB-CG2 4.08Å; A480-V487 PolarHBondContact N-O 3.28Å; A480-V487 WeakPolarHBondContact O-CG2 3.45Å; A480-V487 PolarHBondContact O-N 3.23Å; D482-V487 HydrophobicContact CB-CG1 4.13Å; D482-V487 HydrophobicContact CB-CG2 3.85Å; V487-V489 HydrophobicContact CG2-CG1 4.1Å
488	R	91.1	Very high	85	Confident	36 Å²	36	21.9 Å²	21.9	14%	0.136	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	119.6	171.1	-53.5	-179.5	-171.3	175.6	0.7	107.8	C109 E462 D469 I479	C109-R488 HydrophobicContact CB-CB 4.29Å; C109-R488 PolarHBondContact N-O 2.92Å; C109-R488 PolarHBondContact O-N 2.74Å; E462-R488 IonicContact OE1-CZ 3.2Å; E462-R488 IonicContact OE1-NE 2.75Å; E462-R488 PolarHBondContact OE1-NE 2.99Å; E462-R488 IonicContact OE1-NH2 3.32Å; E462-R488 PolarHBondContact OE1-NH2 2.98Å; D469-R488 IonicContact OD2-CZ 2.75Å; D469-R488 IonicContact OD2-NH1 3.67Å; D469-R488 PolarHBondContact OD2-NH1 3.48Å; D469-R488 IonicContact OD2-NH2 2.72Å; D469-R488 PolarHBondContact OD2-NH2 2.78Å; I479-R488 HydrophobicContact CD1-CG 3.99Å
489	V	87.7	Confident	84.7	Confident	3 Å²	3	26.2 Å²	26.2	2%	0.018	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	140.9	178.9	-67.8	0	0	0	0	111.3	I106 A108 S477 V478 A480 V487 L491 C494	I106-V489 HydrophobicContact CG2-CB 3.92Å; I106-V489 HydrophobicContact CG2-CG1 3.94Å; A108-V489 HydrophobicContact CB-CG1 3.72Å; S477-V489 CarbonylContact C-O 3.58Å; S477-V489 WeakPolarHBondContact CA-O 3.31Å; V478-V489 HydrophobicContact CB-CG2 3.95Å; V478-V489 PolarHBondContact N-O 3.04Å; V478-V489 WeakPolarHBondContact O-CG2 3.36Å; V478-V489 PolarHBondContact O-N 2.76Å; A480-V489 HydrophobicContact CB-CG1 4.23Å; A480-V489 HydrophobicContact CB-CG2 3.66Å; V487-V489 HydrophobicContact CG2-CG1 4.1Å; V489-L491 PolarHBondContact O-N 2.89Å; V489-C494 WeakPolarHBondContact CG2-SG 3.45Å
490	P	86.2	Confident	84.6	Confident	11 Å²	11	31.7 Å²	31.7	7%	0.071	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	124.3	177.8	-32.2	40.5	0	0	0	113.5	V107 E475 M492 Q493 C494	V107-P490 WeakPolarHBondContact O-CD 3.28Å; E475-P490 WeakPolarHBondContact OE1-CB 3.2Å; E475-P490 WeakPolarHBondContact OE1-CG 3.23Å; P490-M492 PolarHBondContact O-N 2.9Å; P490-Q493 HydrophobicContact CB-CB 4.12Å; P490-Q493 HydrophobicContact CB-CG 3.76Å; P490-Q493 HydrophobicContact CG-CG 4.47Å; P490-Q493 PolarHBondContact O-N 3.01Å; P490-C494 PolarHBondContact O-N 2.83Å; P490-C494 PolarHBondContact O-SG 3.42Å
491	L	80.4	Confident	84.5	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-55	-48.2	-174.3	-176.2	68.5	0	0	0	112.5	I265 N269 P476 V478 V489 V495	I265-L491 HydrophobicContact CB-CD1 4.1Å; I265-L491 HydrophobicContact CD1-CD1 3.61Å; I265-L491 HydrophobicContact CG1-CD1 3.76Å; I265-L491 HydrophobicContact CG2-CD1 3.36Å; I265-L491 HydrophobicContact CG2-CD2 3.88Å; I265-L491 HydrophobicContact CG2-CG 3.55Å; N269-L491 HydrophobicContact CB-CD2 4.12Å; P476-L491 HydrophobicContact CB-CB 4.03Å; P476-L491 HydrophobicContact CB-CD2 3.54Å; P476-L491 HydrophobicContact CB-CG 4.41Å; P476-L491 HydrophobicContact CG-CD2 4.06Å; P476-L491 WeakPolarHBondContact O-CB 3.37Å; P476-L491 PolarHBondContact O-N 3.46Å; V478-L491 HydrophobicContact CG2-CB 4.49Å; V478-L491 HydrophobicContact CG2-CD1 3.25Å; V478-L491 HydrophobicContact CG2-CG 4.48Å; V489-L491 PolarHBondContact O-N 2.89Å; L491-V495 WeakPolarHBondContact O-CG2 3.27Å; L491-V495 PolarHBondContact O-N 3.24Å
492	M	78.1	Confident	84.2	Confident	75 Å²	75	33.1 Å²	33.1	37%	0.369	16%	0.159	S	C	.	.	H	α-helix	trans	-72.6	-34	-174.7	-68.6	-58	-62.6	0	0	112.9	P490 V495 E496	P490-M492 PolarHBondContact O-N 2.9Å; M492-V495 PolarHBondContact O-N 3.41Å; M492-E496 WeakPolarHBondContact O-CB 3.37Å; M492-E496 PolarHBondContact O-N 3.19Å
493	Q	83.8	Confident	84.4	Confident	58 Å²	58	36.3 Å²	36.3	27%	0.271	17%	0.171	S	C	.	.	H	α-helix	trans	-66.2	-39.4	177.6	-60.4	177.1	15.1	0	0	111.4	S105 I106 P490 E496 R497	S105-Q493 PolarHBondContact O-OE1 2.85Å; I106-Q493 HydrophobicContact CG1-CB 4.14Å; P490-Q493 HydrophobicContact CB-CB 4.12Å; P490-Q493 HydrophobicContact CB-CG 3.76Å; P490-Q493 HydrophobicContact CG-CG 4.47Å; P490-Q493 PolarHBondContact O-N 3.01Å; Q493-E496 PolarHBondContact O-N 2.87Å; Q493-R497 WeakPolarHBondContact O-CB 3.46Å; Q493-R497 PolarHBondContact O-N 3.23Å
494	C	81.4	Confident	84.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.4	-43.6	176.1	-59.6	0	0	0	0	111.8	F312 C313 V489 P490 R497 T498	F312-C494 HydrophobicContact CE1-CB 3.58Å; F312-C494 HydrophobicContact CE2-CB 3.93Å; F312-C494 HydrophobicContact CZ-CB 3.23Å; C313-C494 WeakPolarHBondContact O-CA 3.29Å; C313-C494 WeakPolarHBondContact O-CB 3.36Å; V489-C494 WeakPolarHBondContact CG2-SG 3.45Å; P490-C494 PolarHBondContact O-N 2.83Å; P490-C494 PolarHBondContact O-SG 3.42Å; C494-R497 PolarHBondContact O-N 3.06Å; C494-T498 WeakPolarHBondContact O-CB 3.38Å; C494-T498 PolarHBondContact O-N 2.86Å; C494-T498 PolarHBondContact O-OG1 3.29Å
495	V	76.8	Confident	85	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.012	17%	0.166	C	C	.	.	H	α-helix	trans	-61.1	-46.2	174.1	164.1	0	0	0	0	111.8	T262 I265 I266 F312 L491 M492 T498 K499	T262-V495 HydrophobicContact CG2-CG1 3.55Å; I265-V495 HydrophobicContact CG2-CG2 3.53Å; I266-V495 HydrophobicContact CD1-CG1 4.34Å; F312-V495 HydrophobicContact CE2-CG2 4.37Å; L491-V495 WeakPolarHBondContact O-CG2 3.27Å; L491-V495 PolarHBondContact O-N 3.24Å; M492-V495 PolarHBondContact O-N 3.41Å; V495-T498 PolarHBondContact O-N 3.3Å; V495-K499 WeakPolarHBondContact O-CG 3.21Å; V495-K499 PolarHBondContact O-N 3.18Å
496	E	82	Confident	85.2	Confident	115 Å²	115	40 Å²	40	54%	0.537	18%	0.18	S	C	.	.	H	α-helix	trans	-64.1	-44.6	179.1	-166.4	-163.8	145.3	0	0	111.6	M492 Q493 T498 K499 R500	M492-E496 WeakPolarHBondContact O-CB 3.37Å; M492-E496 PolarHBondContact O-N 3.19Å; Q493-E496 PolarHBondContact O-N 2.87Å; E496-T498 VanDerWaalsContact C-N 3.28Å; E496-T498 PolarHBondContact O-N 2.97Å; E496-K499 WeakPolarHBondContact O-CB 3.28Å; E496-K499 PolarHBondContact O-N 3.2Å; E496-K499 VanDerWaalsContact O-N 3.17Å; E496-R500 WeakPolarHBondContact O-CG 3.38Å; E496-R500 PolarHBondContact O-N 2.9Å
497	R	84	Confident	85.3	Confident	24 Å²	24	45.1 Å²	45.1	9%	0.091	20%	0.204	C	C	.	.	H	α-helix	trans	-59.7	-40.3	175.9	-170.7	173	173.9	155.5	3	111.5	D104 I106 C313 Q493 C494 R500 V501 L516	D104-R497 IonicContact OD1-CZ 3.19Å; D104-R497 IonicContact OD1-NH1 2.67Å; D104-R497 PolarHBondContact OD1-NH1 2.8Å; D104-R497 IonicContact OD1-NH2 3.37Å; D104-R497 PolarHBondContact OD1-NH2 2.84Å; D104-R497 VanDerWaalsContact OD1-NH2 3.15Å; I106-R497 HydrophobicContact CD1-CB 4.27Å; C313-R497 HydrophobicContact CB-CB 3.86Å; C313-R497 HydrophobicContact CB-CG 3.63Å; Q493-R497 WeakPolarHBondContact O-CB 3.46Å; Q493-R497 PolarHBondContact O-N 3.23Å; C494-R497 PolarHBondContact O-N 3.06Å; R497-R500 WeakPolarHBondContact O-CB 3.31Å; R497-R500 PolarHBondContact O-N 3.43Å; R497-V501 PolarHBondContact O-N 2.94Å; R497-V501 VanDerWaalsContact O-N 3.12Å; R497-L516 HydrophobicContact CG-CD2 4.3Å; R497-L516 PolarHBondContact NE-O 2.86Å; R497-L516 PolarHBondContact NH2-O 3.33Å; R497-L516 VanDerWaalsContact NH2-O 3.13Å
498	T	82.4	Confident	85.3	Confident	11 Å²	11	49.6 Å²	49.6	7%	0.067	22%	0.223	C	C	.	.	H	α-helix	trans	-64.8	-41.9	175.6	-51.4	0	0	0	0	111.7	F259 C313 C494 V495 E496 R500 V501 Q502	F259-T498 HydrophobicContact CE1-CG2 4.3Å; C313-T498 PolarHBondContact N-OG1 2.93Å; C494-T498 WeakPolarHBondContact O-CB 3.38Å; C494-T498 PolarHBondContact O-N 2.86Å; C494-T498 PolarHBondContact O-OG1 3.29Å; V495-T498 PolarHBondContact O-N 3.3Å; E496-T498 VanDerWaalsContact C-N 3.28Å; E496-T498 PolarHBondContact O-N 2.97Å; T498-R500 VanDerWaalsContact C-N 3.29Å; T498-R500 PolarHBondContact O-N 2.82Å; T498-V501 WeakPolarHBondContact O-CB 3.4Å; T498-V501 PolarHBondContact O-N 2.64Å; T498-Q502 PolarHBondContact O-N 3.43Å
499	K	80.6	Confident	85.4	Confident	90 Å²	90	51.2 Å²	51.2	39%	0.391	23%	0.234	S	C	.	.	H	α-helix	trans	-58.5	-38.9	171.3	-72.4	179.8	-179.5	-174.8	0	112.9	F259 V495 E496 Q502 K503	F259-K499 HydrophobicContact CE1-CG 4.06Å; F259-K499 HydrophobicContact CE2-CG 3.96Å; F259-K499 HydrophobicContact CZ-CB 4.2Å; F259-K499 HydrophobicContact CZ-CG 3.59Å; V495-K499 WeakPolarHBondContact O-CG 3.21Å; V495-K499 PolarHBondContact O-N 3.18Å; E496-K499 WeakPolarHBondContact O-CB 3.28Å; E496-K499 PolarHBondContact O-N 3.2Å; E496-K499 VanDerWaalsContact O-N 3.17Å; K499-Q502 PolarHBondContact O-N 3.14Å; K499-K503 PolarHBondContact O-N 3.19Å
500	R	88	Confident	85.5	Confident	115 Å²	115	53.1 Å²	53.1	43%	0.434	24%	0.241	S	C	.	.	H	α-helix	trans	-68.3	-30.7	178	-69.5	174.5	61.3	179.2	-1.6	113	E496 R497 T498 A504 L516	E496-R500 WeakPolarHBondContact O-CG 3.38Å; E496-R500 PolarHBondContact O-N 2.9Å; R497-R500 WeakPolarHBondContact O-CB 3.31Å; R497-R500 PolarHBondContact O-N 3.43Å; T498-R500 VanDerWaalsContact C-N 3.29Å; T498-R500 PolarHBondContact O-N 2.82Å; R500-A504 WeakPolarHBondContact O-CB 3.38Å; R500-A504 PolarHBondContact O-N 2.89Å; R500-L516 HydrophobicContact CB-CD1 3.77Å; R500-L516 WeakPolarHBondContact O-CD1 3.48Å
501	V	86.4	Confident	85.8	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.012	27%	0.267	C	S	.	.	H	α-helix	trans	-62.1	-52.6	171.7	177.6	0	0	0	0	110.1	C313 R497 T498 K503 A504 M505 A513 L516 R517	C313-V501 VanDerWaalsContact SG-CG2 3.55Å; R497-V501 PolarHBondContact O-N 2.94Å; R497-V501 VanDerWaalsContact O-N 3.12Å; T498-V501 WeakPolarHBondContact O-CB 3.4Å; T498-V501 PolarHBondContact O-N 2.64Å; V501-K503 PolarHBondContact O-N 2.98Å; V501-A504 WeakPolarHBondContact O-CB 3.27Å; V501-A504 PolarHBondContact O-N 3.26Å; V501-A504 VanDerWaalsContact O-N 3.16Å; V501-M505 HydrophobicContact CG1-SD 4.06Å; V501-M505 WeakPolarHBondContact O-CG 3.41Å; V501-M505 PolarHBondContact O-N 3.49Å; V501-A513 HydrophobicContact CG1-CB 4.48Å; V501-L516 HydrophobicContact CG2-CB 3.54Å; V501-L516 HydrophobicContact CG2-CD1 4.39Å; V501-R517 HydrophobicContact CG1-CG 4.42Å
502	Q	82.4	Confident	86.3	Confident	36 Å²	36	61.6 Å²	61.6	17%	0.168	28%	0.282	C	S	.	.	H	α-helix	trans	-60	-46.9	-179.8	178.4	173.9	-14	0	0	111.3	W258 F259 T498 K499 A504 M505 E506	W258-Q502 VanDerWaalsContact CB-NE2 3.28Å; F259-Q502 HydrophobicContact CZ-CB 4.36Å; F259-Q502 VanDerWaalsContact CZ-OE1 3.26Å; T498-Q502 PolarHBondContact O-N 3.43Å; K499-Q502 PolarHBondContact O-N 3.14Å; Q502-A504 VanDerWaalsContact C-N 3.29Å; Q502-A504 PolarHBondContact O-N 2.88Å; Q502-M505 WeakPolarHBondContact O-CB 3.39Å; Q502-M505 PolarHBondContact O-N 2.7Å; Q502-E506 HydrophobicContact CG-CG 4.36Å; Q502-E506 WeakPolarHBondContact CG-OE1 3.11Å; Q502-E506 PolarHBondContact NE2-OE1 3.39Å; Q502-E506 WeakPolarHBondContact O-CG 3.35Å; Q502-E506 PolarHBondContact O-N 3.14Å
503	K	89.6	Confident	87	Confident	114 Å²	114	58 Å²	58	50%	0.496	26%	0.264	S	S	.	.	H	α-helix	trans	-56.9	-42.9	176	-179.6	173.1	174	175.3	0	111.9	K499 V501 M505 E506 E507	K499-K503 PolarHBondContact O-N 3.19Å; V501-K503 PolarHBondContact O-N 2.98Å; K503-M505 VanDerWaalsContact C-N 3.31Å; K503-M505 PolarHBondContact O-N 2.67Å; K503-E506 PolarHBondContact O-N 3.47Å; K503-E507 WeakPolarHBondContact CE-OE1 3.31Å; K503-E507 HydrophobicContact CG-CG 4.34Å; K503-E507 IonicContact NZ-OE1 2.73Å; K503-E507 PolarHBondContact NZ-OE1 3.41Å; K503-E507 WeakPolarHBondContact O-CB 3.48Å; K503-E507 WeakPolarHBondContact O-CG 3.36Å; K503-E507 PolarHBondContact O-N 3.32Å
504	A	91.3	Very high	87.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.7	-34.1	176.2	0	0	0	0	0	112.8	R500 V501 Q502 K508 N509 L512 A513 L516	R500-A504 WeakPolarHBondContact O-CB 3.38Å; R500-A504 PolarHBondContact O-N 2.89Å; V501-A504 WeakPolarHBondContact O-CB 3.27Å; V501-A504 PolarHBondContact O-N 3.26Å; V501-A504 VanDerWaalsContact O-N 3.16Å; Q502-A504 VanDerWaalsContact C-N 3.29Å; Q502-A504 PolarHBondContact O-N 2.88Å; A504-K508 PolarHBondContact O-N 2.92Å; A504-N509 HydrophobicContact CB-CB 4.45Å; A504-N509 CarbonylContact O-C 3.54Å; A504-N509 WeakPolarHBondContact O-CA 3.09Å; A504-N509 PolarHBondContact O-N 2.9Å; A504-L512 HydrophobicContact CB-CB 4.08Å; A504-L512 HydrophobicContact CB-CD2 3.98Å; A504-L512 HydrophobicContact CB-CG 3.95Å; A504-A513 HydrophobicContact CB-CB 4.22Å; A504-L516 HydrophobicContact CB-CD1 4.43Å
505	M	88	Confident	87.8	Confident	22 Å²	22	61.3 Å²	61.3	11%	0.108	28%	0.278	C	S	.	.	H	α-helix	trans	-71.1	-41.9	174.3	-67	172.1	57.4	0	0	112.3	P374 V501 Q502 K503 E507 K508 W510 A513	P374-M505 HydrophobicContact CB-CE 3.62Å; V501-M505 HydrophobicContact CG1-SD 4.06Å; V501-M505 WeakPolarHBondContact O-CG 3.41Å; V501-M505 PolarHBondContact O-N 3.49Å; Q502-M505 WeakPolarHBondContact O-CB 3.39Å; Q502-M505 PolarHBondContact O-N 2.7Å; K503-M505 VanDerWaalsContact C-N 3.31Å; K503-M505 PolarHBondContact O-N 2.67Å; M505-E507 VanDerWaalsContact C-N 3.34Å; M505-K508 PolarHBondContact O-N 3.19Å; M505-W510 HydrophobicContact CB-CZ3 4.21Å; M505-W510 HydrophobicContact CG-CZ3 4.43Å; M505-A513 HydrophobicContact CG-CB 3.76Å
506	E	88.1	Confident	88.3	Confident	116 Å²	116	62 Å²	62	54%	0.542	28%	0.281	S	S	.	.	H	α-helix	trans	-63.1	-39.7	175	-70.1	171.6	177.7	0	0	111.7	Q502 K503 K508	Q502-E506 HydrophobicContact CG-CG 4.36Å; Q502-E506 WeakPolarHBondContact CG-OE1 3.11Å; Q502-E506 PolarHBondContact NE2-OE1 3.39Å; Q502-E506 WeakPolarHBondContact O-CG 3.35Å; Q502-E506 PolarHBondContact O-N 3.14Å; K503-E506 PolarHBondContact O-N 3.47Å; E506-K508 PolarHBondContact O-N 3.16Å
507	E	92.2	Very high	88.6	Confident	114 Å²	114	58.3 Å²	58.3	53%	0.533	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	5.2	173.6	-67.8	176.9	157.3	0	0	113.4	K503 M505 N509	K503-E507 WeakPolarHBondContact CE-OE1 3.31Å; K503-E507 HydrophobicContact CG-CG 4.34Å; K503-E507 IonicContact NZ-OE1 2.73Å; K503-E507 PolarHBondContact NZ-OE1 3.41Å; K503-E507 WeakPolarHBondContact O-CB 3.48Å; K503-E507 WeakPolarHBondContact O-CG 3.36Å; K503-E507 PolarHBondContact O-N 3.32Å; M505-E507 VanDerWaalsContact C-N 3.34Å; E507-N509 PolarHBondContact O-N 2.91Å; E507-N509 VanDerWaalsContact O-N 3.14Å
508	K	90.7	Very high	88.6	Confident	95 Å²	95	57.9 Å²	57.9	41%	0.413	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	23.6	-177.7	-57.3	179.6	172.1	-176.2	0	114.4	R412 D413 A504 M505 E506 W510	R412-K508 WeakPolarHBondContact O-CD 3.18Å; D413-K508 VanDerWaalsContact C-NZ 3.3Å; D413-K508 WeakPolarHBondContact O-CE 3.5Å; D413-K508 PolarHBondContact O-NZ 3.41Å; A504-K508 PolarHBondContact O-N 2.92Å; M505-K508 PolarHBondContact O-N 3.19Å; E506-K508 PolarHBondContact O-N 3.16Å; K508-W510 HydrophobicContact CB-CZ2 3.74Å; K508-W510 HydrophobicContact CG-CH2 4.37Å; K508-W510 HydrophobicContact CG-CZ2 3.81Å; K508-W510 VanDerWaalsContact O-CD1 3.24Å; K508-W510 PolarHBondContact O-N 3Å; K508-W510 PolarHBondContact O-NE1 3.48Å
509	N	92.5	Very high	88.6	Confident	70 Å²	70	65 Å²	65	37%	0.374	29%	0.291	S	S	.	.			trans	-89.5	69.8	177	-167.9	-17.6	0	0	0	110.9	A504 E507 E511 L512 A513	A504-N509 HydrophobicContact CB-CB 4.45Å; A504-N509 CarbonylContact O-C 3.54Å; A504-N509 WeakPolarHBondContact O-CA 3.09Å; A504-N509 PolarHBondContact O-N 2.9Å; E507-N509 PolarHBondContact O-N 2.91Å; E507-N509 VanDerWaalsContact O-N 3.14Å; N509-E511 VanDerWaalsContact C-N 3.31Å; N509-E511 PolarHBondContact O-N 2.91Å; N509-L512 HydrophobicContact CB-CB 4.25Å; N509-L512 VanDerWaalsContact CG-CB 3.45Å; N509-L512 PolarHBondContact O-N 3.38Å; N509-L512 VanDerWaalsContact O-N 3.12Å; N509-L512 VanDerWaalsContact OD1-CB 3.25Å; N509-L512 WeakPolarHBondContact OD1-CB 3.3Å; N509-L512 PolarHBondContact OD1-N 3.46Å; N509-A513 PolarHBondContact O-N 3.28Å
510	W	91	Very high	88.7	Confident	44 Å²	44	61.7 Å²	61.7	17%	0.167	28%	0.28	C	S	.	.	H	α-helix	trans	-58	-38.8	-174.9	-45.8	115	0	0	0	113.2	P377 M505 K508 L512 A513 V514	P377-W510 HydrophobicContact CG-CD2 3.64Å; P377-W510 HydrophobicContact CG-CE3 3.64Å; P377-W510 HydrophobicContact CG-CG 4.34Å; P377-W510 HydrophobicContact CG-CH2 3.85Å; P377-W510 HydrophobicContact CG-CZ2 3.83Å; P377-W510 HydrophobicContact CG-CZ3 3.75Å; M505-W510 HydrophobicContact CB-CZ3 4.21Å; M505-W510 HydrophobicContact CG-CZ3 4.43Å; K508-W510 HydrophobicContact CB-CZ2 3.74Å; K508-W510 HydrophobicContact CG-CH2 4.37Å; K508-W510 HydrophobicContact CG-CZ2 3.81Å; K508-W510 VanDerWaalsContact O-CD1 3.24Å; K508-W510 PolarHBondContact O-N 3Å; K508-W510 PolarHBondContact O-NE1 3.48Å; W510-L512 PolarHBondContact O-N 3.13Å; W510-A513 PolarHBondContact O-N 3.39Å; W510-V514 WeakPolarHBondContact O-CG2 3.46Å; W510-V514 PolarHBondContact O-N 2.68Å
511	E	91.3	Very high	88.7	Confident	131 Å²	131	56.6 Å²	56.6	61%	0.612	26%	0.26	S	S	*	.	H	α-helix	trans	-60.9	-43.6	176.2	-75.5	-164.9	-155.7	0	0	112.6	N509 K515	N509-E511 VanDerWaalsContact C-N 3.31Å; N509-E511 PolarHBondContact O-N 2.91Å; E511-K515 WeakPolarHBondContact O-CB 3.12Å; E511-K515 WeakPolarHBondContact O-CD 3.27Å; E511-K515 WeakPolarHBondContact O-CG 3.48Å; E511-K515 PolarHBondContact O-N 3.14Å; E511-K515 IonicContact OE2-NZ 3.2Å; E511-K515 PolarHBondContact OE2-NZ 2.75Å
512	L	92.5	Very high	88.9	Confident	60 Å²	60	59.1 Å²	59.1	31%	0.314	27%	0.274	S	S	.	.	H	α-helix	trans	-67.3	-39.3	177.7	-178.8	60.8	0	0	0	110.8	A504 N509 W510 K515 L516	A504-L512 HydrophobicContact CB-CB 4.08Å; A504-L512 HydrophobicContact CB-CD2 3.98Å; A504-L512 HydrophobicContact CB-CG 3.95Å; N509-L512 HydrophobicContact CB-CB 4.25Å; N509-L512 VanDerWaalsContact CG-CB 3.45Å; N509-L512 PolarHBondContact O-N 3.38Å; N509-L512 VanDerWaalsContact O-N 3.12Å; N509-L512 VanDerWaalsContact OD1-CB 3.25Å; N509-L512 WeakPolarHBondContact OD1-CB 3.3Å; N509-L512 PolarHBondContact OD1-N 3.46Å; W510-L512 PolarHBondContact O-N 3.13Å; L512-K515 PolarHBondContact O-N 2.72Å; L512-L516 HydrophobicContact CD1-CD1 4.02Å; L512-L516 HydrophobicContact CD1-CG 3.95Å; L512-L516 HydrophobicContact CD2-CD1 4.48Å; L512-L516 HydrophobicContact CG-CD1 3.8Å; L512-L516 HydrophobicContact CG-CG 4.2Å; L512-L516 VanDerWaalsContact O-CB 3.3Å; L512-L516 WeakPolarHBondContact O-CB 3.32Å; L512-L516 WeakPolarHBondContact O-CG 3.22Å; L512-L516 PolarHBondContact O-N 2.75Å
513	A	91	Very high	89	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.3	-50.1	175	0	0	0	0	0	111.8	V501 A504 M505 N509 W510 K515 L516 R517	V501-A513 HydrophobicContact CG1-CB 4.48Å; A504-A513 HydrophobicContact CB-CB 4.22Å; M505-A513 HydrophobicContact CG-CB 3.76Å; N509-A513 PolarHBondContact O-N 3.28Å; W510-A513 PolarHBondContact O-N 3.39Å; A513-K515 PolarHBondContact O-N 3.32Å; A513-L516 PolarHBondContact O-N 3.34Å; A513-R517 WeakPolarHBondContact O-CG 3.18Å; A513-R517 PolarHBondContact O-N 2.54Å
514	V	91.5	Very high	89.1	Confident	11 Å²	11	54.7 Å²	54.7	7%	0.067	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-45.4	175.9	175.3	0	0	0	0	111.7	E375 W510 L516 R517 F521 L522 L525	E375-V514 HydrophobicContact CB-CG2 3.83Å; E375-V514 VanDerWaalsContact O-CG2 3.31Å; E375-V514 WeakPolarHBondContact O-CG2 3.43Å; W510-V514 WeakPolarHBondContact O-CG2 3.46Å; W510-V514 PolarHBondContact O-N 2.68Å; V514-L516 VanDerWaalsContact C-N 3.32Å; V514-L516 PolarHBondContact O-N 2.86Å; V514-R517 PolarHBondContact O-N 2.96Å; V514-F521 HydrophobicContact CG1-CD1 4.2Å; V514-F521 HydrophobicContact CG2-CE1 4.4Å; V514-L522 HydrophobicContact CG1-CB 4.11Å; V514-L522 HydrophobicContact CG1-CD1 3.62Å; V514-L522 HydrophobicContact CG1-CG 4.45Å; V514-L525 HydrophobicContact CG1-CD2 4.01Å; V514-L525 HydrophobicContact CG2-CD2 3.87Å
515	K	90.7	Very high	89.1	Confident	115 Å²	115	54.8 Å²	54.8	50%	0.5	25%	0.253	S	S	.	.	H	α-helix	trans	-62.3	-38.5	178.2	-73.6	162.3	-177.7	161.6	0	111.7	E511 L512 A513 G518	E511-K515 WeakPolarHBondContact O-CB 3.12Å; E511-K515 WeakPolarHBondContact O-CD 3.27Å; E511-K515 WeakPolarHBondContact O-CG 3.48Å; E511-K515 PolarHBondContact O-N 3.14Å; E511-K515 IonicContact OE2-NZ 3.2Å; E511-K515 PolarHBondContact OE2-NZ 2.75Å; L512-K515 PolarHBondContact O-N 2.72Å; A513-K515 PolarHBondContact O-N 3.32Å; K515-G518 PolarHBondContact O-N 3.35Å
516	L	88.3	Confident	89	Confident	16 Å²	16	58.2 Å²	58.2	8%	0.084	27%	0.269	C	S	.	.	H	α-helix	trans	-72	-38.2	179.9	-74.5	172.1	0	0	0	113	R497 R500 V501 A504 L512 A513 V514 G518	R497-L516 HydrophobicContact CG-CD2 4.3Å; R497-L516 PolarHBondContact NE-O 2.86Å; R497-L516 PolarHBondContact NH2-O 3.33Å; R497-L516 VanDerWaalsContact NH2-O 3.13Å; R500-L516 HydrophobicContact CB-CD1 3.77Å; R500-L516 WeakPolarHBondContact O-CD1 3.48Å; V501-L516 HydrophobicContact CG2-CB 3.54Å; V501-L516 HydrophobicContact CG2-CD1 4.39Å; A504-L516 HydrophobicContact CB-CD1 4.43Å; L512-L516 HydrophobicContact CD1-CD1 4.02Å; L512-L516 HydrophobicContact CD1-CG 3.95Å; L512-L516 HydrophobicContact CD2-CD1 4.48Å; L512-L516 HydrophobicContact CG-CD1 3.8Å; L512-L516 HydrophobicContact CG-CG 4.2Å; L512-L516 VanDerWaalsContact O-CB 3.3Å; L512-L516 WeakPolarHBondContact O-CB 3.32Å; L512-L516 WeakPolarHBondContact O-CG 3.22Å; L512-L516 PolarHBondContact O-N 2.75Å; A513-L516 PolarHBondContact O-N 3.34Å; V514-L516 VanDerWaalsContact C-N 3.32Å; V514-L516 PolarHBondContact O-N 2.86Å; L516-G518 PolarHBondContact O-N 3.33Å
517	R	87.1	Confident	88.9	Confident	39 Å²	39	53.1 Å²	53.1	15%	0.147	25%	0.246	C	C	.	.	H	α-helix	trans	-53.8	-32.5	171.9	-76.3	-69.7	-166.6	-144.5	-6.2	112.7	D311 H354 E375 V501 A513 V514 F521	D311-R517 PolarHBondContact O-NH1 2.87Å; H354-R517 PolarHBondContact O-NH2 3.26Å; E375-R517 HydrophobicContact CG-CG 4.25Å; E375-R517 IonicContact OE1-CZ 2.74Å; E375-R517 VanDerWaalsContact OE1-CZ 3.23Å; E375-R517 IonicContact OE1-NE 2.64Å; E375-R517 PolarHBondContact OE1-NE 3.22Å; E375-R517 IonicContact OE1-NH2 3.64Å; E375-R517 PolarHBondContact OE1-NH2 3.48Å; V501-R517 HydrophobicContact CG1-CG 4.42Å; A513-R517 WeakPolarHBondContact O-CG 3.18Å; A513-R517 PolarHBondContact O-N 2.54Å; V514-R517 PolarHBondContact O-N 2.96Å; R517-F521 HydrophobicContact CB-CB 3.84Å; R517-F521 HydrophobicContact CB-CD1 4.34Å; R517-F521 HydrophobicContact CB-CD2 4.03Å; R517-F521 HydrophobicContact CB-CG 3.82Å; R517-F521 HydrophobicContact CG-CD2 4.11Å; R517-F521 HydrophobicContact CG-CE2 4.38Å; R517-F521 HydrophobicContact CG-CG 4.28Å
518	G	84.9	Confident	88.8	Confident	14 Å²	14	48 Å²	48	14%	0.144	22%	0.221	C	C	.	.			trans	112.2	177	170.1	0	0	0	0	0	114.5	K515 L516 S520 F521 L522	K515-G518 PolarHBondContact O-N 3.35Å; L516-G518 PolarHBondContact O-N 3.33Å; G518-S520 PolarHBondContact O-N 3.4Å; G518-F521 PolarHBondContact O-N 2.82Å; G518-L522 PolarHBondContact O-N 2.98Å; G518-L522 VanDerWaalsContact O-N 3.11Å
519	R	82.3	Confident	88.6	Confident	160 Å²	160	47.2 Å²	47.2	60%	0.604	22%	0.218	S	C	*	.	H	α-helix	trans	-64.2	-37.1	-166.6	-55.6	174.7	-171.4	-157.7	-6.9	113.1	D104 R523	D104-R519 IonicContact OD2-CZ 2.74Å; D104-R519 VanDerWaalsContact OD2-CZ 3.23Å; D104-R519 IonicContact OD2-NE 3.8Å; D104-R519 PolarHBondContact OD2-NE 3.09Å; D104-R519 IonicContact OD2-NH2 3.2Å; D104-R519 PolarHBondContact OD2-NH2 3.47Å; R519-R523 WeakPolarHBondContact O-CB 3.5Å; R519-R523 PolarHBondContact O-N 2.71Å
520	S	82	Confident	88.1	Confident	22 Å²	22	46 Å²	46	15%	0.154	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-42.8	179	-161.3	0	0	0	0	111.5	G518 N524 R826	G518-S520 PolarHBondContact O-N 3.4Å; S520-N524 WeakPolarHBondContact O-CB 3.47Å; S520-N524 PolarHBondContact O-N 2.9Å; S520-N524 VanDerWaalsContact O-N 3.1Å; S520-N524 PolarHBondContact O-ND2 3.43Å; S520-N524 PolarHBondContact O-OD1 3.45Å; S520-R826 PolarHBondContact OG-NH1 2.68Å; S520-R826 VanDerWaalsContact OG-NH1 3.13Å
521	F	89.1	Confident	87.7	Confident	7 Å²	7	44.3 Å²	44.3	3%	0.031	21%	0.205	C	C	.	.	H	α-helix	trans	-63.8	-50.5	175.8	-167.7	-70.7	0	0	0	111.4	Y357 L360 I373 E375 V514 R517 G518 R523 N524 L525	Y357-F521 AromaticContact CD2-CD2 4Å; Y357-F521 HydrophobicContact CD2-CD2 4Å; L360-F521 HydrophobicContact CD2-CD1 4.21Å; L360-F521 HydrophobicContact CD2-CE1 3.99Å; L360-F521 HydrophobicContact CD2-CE2 4.46Å; L360-F521 HydrophobicContact CD2-CZ 4.11Å; I373-F521 HydrophobicContact CD1-CE1 4.44Å; I373-F521 HydrophobicContact CD1-CZ 4.25Å; E375-F521 HydrophobicContact CB-CE1 3.96Å; E375-F521 HydrophobicContact CB-CZ 3.87Å; E375-F521 VanDerWaalsContact CD-CZ 3.49Å; E375-F521 HydrophobicContact CG-CE1 4.28Å; E375-F521 HydrophobicContact CG-CE2 4.48Å; E375-F521 HydrophobicContact CG-CZ 3.86Å; E375-F521 WeakPolarHBondContact OE2-CZ 3.29Å; V514-F521 HydrophobicContact CG1-CD1 4.2Å; V514-F521 HydrophobicContact CG2-CE1 4.4Å; R517-F521 HydrophobicContact CB-CB 3.84Å; R517-F521 HydrophobicContact CB-CD1 4.34Å; R517-F521 HydrophobicContact CB-CD2 4.03Å; R517-F521 HydrophobicContact CB-CG 3.82Å; R517-F521 HydrophobicContact CG-CD2 4.11Å; R517-F521 HydrophobicContact CG-CE2 4.38Å; R517-F521 HydrophobicContact CG-CG 4.28Å; G518-F521 PolarHBondContact O-N 2.82Å; F521-R523 PolarHBondContact O-N 3.27Å; F521-N524 PolarHBondContact O-N 3.24Å; F521-L525 HydrophobicContact CE1-CD2 4.5Å; F521-L525 PolarHBondContact O-N 3Å
522	L	89.5	Confident	87.1	Confident	56 Å²	56	39.2 Å²	39.2	29%	0.293	18%	0.183	S	C	.	.	H	α-helix	trans	-56.9	-48.9	179.6	175.9	61.9	0	0	0	111.7	V514 G518 N524 L525 E526	V514-L522 HydrophobicContact CG1-CB 4.11Å; V514-L522 HydrophobicContact CG1-CD1 3.62Å; V514-L522 HydrophobicContact CG1-CG 4.45Å; G518-L522 PolarHBondContact O-N 2.98Å; G518-L522 VanDerWaalsContact O-N 3.11Å; L522-N524 PolarHBondContact O-N 2.71Å; L522-L525 WeakPolarHBondContact O-CB 3.08Å; L522-L525 PolarHBondContact O-N 3.16Å; L522-L525 VanDerWaalsContact O-N 3.09Å; L522-E526 HydrophobicContact CD1-CG 4.19Å; L522-E526 WeakPolarHBondContact CD1-OE1 3.32Å; L522-E526 WeakPolarHBondContact O-CG 3.23Å; L522-E526 PolarHBondContact O-N 3.22Å
523	R	85.9	Confident	86.1	Confident	57 Å²	57	40.4 Å²	40.4	22%	0.215	19%	0.186	C	C	.	.	H	α-helix	trans	-64.8	-37.1	-179.5	-171.2	175.1	-176	-177	3.9	112.8	R519 F521 L525 T527 H830 T867	R519-R523 WeakPolarHBondContact O-CB 3.5Å; R519-R523 PolarHBondContact O-N 2.71Å; F521-R523 PolarHBondContact O-N 3.27Å; R523-L525 VanDerWaalsContact C-N 3.34Å; R523-T527 WeakPolarHBondContact O-CB 3.16Å; R523-T527 PolarHBondContact O-N 2.87Å; R523-T527 PolarHBondContact O-OG1 2.88Å; R523-H830 VanDerWaalsContact NH2-CB 3.27Å; R523-H830 VanDerWaalsContact NH2-CG 3.26Å; R523-T867 PolarHBondContact NH1-OG1 3.15Å
524	N	90.3	Very high	84.6	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.3	-45	172	-70.2	-10	0	0	0	110.3	L360 V361 L364 S520 F521 L522 T527 Y528 R826	L360-N524 HydrophobicContact CD2-CB 3.76Å; L360-N524 HydrophobicContact CG-CB 4.02Å; V361-N524 WeakPolarHBondContact CG2-ND2 3.28Å; L364-N524 HydrophobicContact CD1-CB 3.81Å; S520-N524 WeakPolarHBondContact O-CB 3.47Å; S520-N524 PolarHBondContact O-N 2.9Å; S520-N524 VanDerWaalsContact O-N 3.1Å; S520-N524 PolarHBondContact O-ND2 3.43Å; S520-N524 PolarHBondContact O-OD1 3.45Å; F521-N524 PolarHBondContact O-N 3.24Å; L522-N524 PolarHBondContact O-N 2.71Å; N524-T527 PolarHBondContact O-N 2.95Å; N524-Y528 VanDerWaalsContact O-CB 3.23Å; N524-Y528 WeakPolarHBondContact O-CB 2.87Å; N524-Y528 PolarHBondContact O-N 2.67Å; N524-R826 VanDerWaalsContact OD1-CD 3.3Å; N524-R826 WeakPolarHBondContact OD1-CD 3.34Å; N524-R826 PolarHBondContact OD1-NH1 3.34Å
525	L	91.5	Very high	83.2	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-65.6	-39.8	-179.7	-177.6	59	0	0	0	112.7	L360 I373 W376 V514 F521 L522 R523 Y528 K529	L360-L525 HydrophobicContact CD1-CD1 4.25Å; L360-L525 HydrophobicContact CD2-CB 4.04Å; I373-L525 HydrophobicContact CD1-CD1 3.88Å; W376-L525 HydrophobicContact CB-CD1 4.22Å; W376-L525 HydrophobicContact CB-CD2 4.04Å; W376-L525 HydrophobicContact CD2-CD1 4.14Å; W376-L525 HydrophobicContact CE3-CD1 3.96Å; W376-L525 HydrophobicContact CG-CD1 4.26Å; W376-L525 HydrophobicContact CG-CD2 4.29Å; V514-L525 HydrophobicContact CG1-CD2 4.01Å; V514-L525 HydrophobicContact CG2-CD2 3.87Å; F521-L525 HydrophobicContact CE1-CD2 4.5Å; F521-L525 PolarHBondContact O-N 3Å; L522-L525 WeakPolarHBondContact O-CB 3.08Å; L522-L525 PolarHBondContact O-N 3.16Å; L522-L525 VanDerWaalsContact O-N 3.09Å; R523-L525 VanDerWaalsContact C-N 3.34Å; L525-Y528 HydrophobicContact CD1-CD1 4.46Å; L525-Y528 PolarHBondContact O-N 3.44Å; L525-K529 HydrophobicContact CG-CD 4.31Å; L525-K529 WeakPolarHBondContact O-CB 3.3Å; L525-K529 VanDerWaalsContact O-CG 3.25Å; L525-K529 WeakPolarHBondContact O-CG 3.01Å; L525-K529 PolarHBondContact O-N 3.03Å
526	E	87.5	Confident	81.8	Confident	94 Å²	94	44.7 Å²	44.7	44%	0.439	21%	0.206	S	C	.	.	H	α-helix	trans	-64.5	-48.3	174.2	-70.8	165.8	162.7	0	0	111.4	L522 Y528 K529 L530	L522-E526 HydrophobicContact CD1-CG 4.19Å; L522-E526 WeakPolarHBondContact CD1-OE1 3.32Å; L522-E526 WeakPolarHBondContact O-CG 3.23Å; L522-E526 PolarHBondContact O-N 3.22Å; E526-Y528 VanDerWaalsContact C-N 3.28Å; E526-Y528 PolarHBondContact O-N 2.81Å; E526-K529 PolarHBondContact O-N 3.41Å; E526-L530 WeakPolarHBondContact O-CG 3.34Å; E526-L530 PolarHBondContact O-N 3.13Å; E526-L530 VanDerWaalsContact O-N 3.09Å
527	T	85.8	Confident	80.6	Confident	9 Å²	9	46 Å²	46	6%	0.055	22%	0.215	C	C	.	.	H	α-helix	trans	-58.2	-42.1	175.7	-53.5	0	0	0	0	111.2	L364 R523 N524 L530 L531 T825 A829	L364-T527 HydrophobicContact CD2-CG2 4.07Å; R523-T527 WeakPolarHBondContact O-CB 3.16Å; R523-T527 PolarHBondContact O-N 2.87Å; R523-T527 PolarHBondContact O-OG1 2.88Å; N524-T527 PolarHBondContact O-N 2.95Å; T527-L530 PolarHBondContact O-N 3.46Å; T527-L531 HydrophobicContact CG2-CD1 3.8Å; T527-L531 HydrophobicContact CG2-CG 4.48Å; T527-L531 WeakPolarHBondContact O-CB 3.25Å; T527-L531 WeakPolarHBondContact O-CG 3.16Å; T527-L531 PolarHBondContact O-N 2.94Å; T527-T825 HydrophobicContact CG2-CG2 4.08Å; T527-A829 HydrophobicContact CG2-CB 4.23Å
528	Y	89.9	Confident	79.2	Confident	7 Å²	7	50.8 Å²	50.8	3%	0.027	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-45.8	177.6	174.9	-96.4	0	0	0	111.7	L360 A363 L364 W370 A371 W376 N524 L525 E526 L530 L531 T532	L360-Y528 HydrophobicContact CD1-CD1 4.19Å; L360-Y528 HydrophobicContact CD1-CD2 4.37Å; L360-Y528 HydrophobicContact CD1-CG 3.81Å; A363-Y528 HydrophobicContact CB-CD2 4.08Å; A363-Y528 HydrophobicContact CB-CE2 3.65Å; L364-Y528 HydrophobicContact CD2-CD2 4.35Å; L364-Y528 HydrophobicContact CG-CD2 4.37Å; W370-Y528 VanDerWaalsContact C-OH 3.29Å; W370-Y528 VanDerWaalsContact CA-OH 3.31Å; W370-Y528 WeakPolarHBondContact CA-OH 3.33Å; A371-Y528 HydrophobicContact CB-CE1 4.18Å; A371-Y528 HydrophobicContact CB-CE2 3.94Å; A371-Y528 WeakPolarHBondContact CB-OH 3.38Å; A371-Y528 PolarHBondContact N-OH 3.07Å; W376-Y528 HydrophobicContact CZ3-CE1 4.08Å; N524-Y528 VanDerWaalsContact O-CB 3.23Å; N524-Y528 WeakPolarHBondContact O-CB 2.87Å; N524-Y528 PolarHBondContact O-N 2.67Å; L525-Y528 HydrophobicContact CD1-CD1 4.46Å; L525-Y528 PolarHBondContact O-N 3.44Å; E526-Y528 VanDerWaalsContact C-N 3.28Å; E526-Y528 PolarHBondContact O-N 2.81Å; Y528-L530 PolarHBondContact O-N 3.47Å; Y528-L531 PolarHBondContact O-N 2.91Å; Y528-T532 HydrophobicContact CD1-CG2 4.37Å; Y528-T532 HydrophobicContact CD2-CG2 3.65Å; Y528-T532 HydrophobicContact CE1-CG2 4.08Å; Y528-T532 HydrophobicContact CE2-CG2 3.3Å; Y528-T532 HydrophobicContact CG-CG2 4.14Å; Y528-T532 VanDerWaalsContact O-CB 3.3Å; Y528-T532 WeakPolarHBondContact O-CB 3.32Å; Y528-T532 WeakPolarHBondContact O-CG2 3.47Å; Y528-T532 PolarHBondContact O-N 3.4Å; Y528-T532 VanDerWaalsContact O-N 3.11Å; Y528-T532 PolarHBondContact O-OG1 3.42Å
529	K	86.5	Confident	77.7	Confident	78 Å²	78	55.5 Å²	55.5	34%	0.339	27%	0.271	S	S	.	.	H	α-helix	trans	-60.7	-29.4	175.4	-75.6	166.9	177.4	175.2	0	113.7	W376 L525 E526	W376-K529 HydrophobicContact CH2-CG 4.14Å; W376-K529 HydrophobicContact CZ2-CD 4.43Å; W376-K529 HydrophobicContact CZ2-CG 4.22Å; L525-K529 HydrophobicContact CG-CD 4.31Å; L525-K529 WeakPolarHBondContact O-CB 3.3Å; L525-K529 VanDerWaalsContact O-CG 3.25Å; L525-K529 WeakPolarHBondContact O-CG 3.01Å; L525-K529 PolarHBondContact O-N 3.03Å; E526-K529 PolarHBondContact O-N 3.41Å
530	L	81	Confident	76.3	Confident	44 Å²	44	57.2 Å²	57.2	23%	0.23	28%	0.282	C	S	.	.	H	α-helix	trans	-78.8	-49	175.9	-69.6	172.8	0	0	0	112.2	E526 T527 Y528 T532 K533	E526-L530 WeakPolarHBondContact O-CG 3.34Å; E526-L530 PolarHBondContact O-N 3.13Å; E526-L530 VanDerWaalsContact O-N 3.09Å; T527-L530 PolarHBondContact O-N 3.46Å; Y528-L530 PolarHBondContact O-N 3.47Å; L530-T532 VanDerWaalsContact C-N 3.29Å; L530-T532 PolarHBondContact O-N 3.01Å; L530-K533 PolarHBondContact O-N 3.48Å
531	L	82.2	Confident	74.9	Confident	8 Å²	8	63.3 Å²	63.3	4%	0.042	31%	0.313	C	S	.	.	H	α-helix	trans	-73.5	-17.2	-174.3	-73.2	174.9	0	0	0	115	L364 T527 Y528 R572 N573 T825	L364-L531 HydrophobicContact CD2-CD1 4.31Å; T527-L531 HydrophobicContact CG2-CD1 3.8Å; T527-L531 HydrophobicContact CG2-CG 4.48Å; T527-L531 WeakPolarHBondContact O-CB 3.25Å; T527-L531 WeakPolarHBondContact O-CG 3.16Å; T527-L531 PolarHBondContact O-N 2.94Å; Y528-L531 PolarHBondContact O-N 2.91Å; L531-R572 HydrophobicContact CD2-CB 3.81Å; L531-N573 VanDerWaalsContact CD2-ND2 3.34Å; L531-N573 WeakPolarHBondContact CD2-ND2 3.39Å; L531-T825 HydrophobicContact CD1-CG2 3.26Å
532	T	78.9	Confident	73.7	Confident	25 Å²	25	64.5 Å²	64.5	15%	0.153	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	2.1	-178.4	58.8	0	0	0	0	113.4	K389 Y528 L530	K389-T532 WeakPolarHBondContact CE-O 3.42Å; K389-T532 PolarHBondContact NZ-O 3.36Å; Y528-T532 HydrophobicContact CD1-CG2 4.37Å; Y528-T532 HydrophobicContact CD2-CG2 3.65Å; Y528-T532 HydrophobicContact CE1-CG2 4.08Å; Y528-T532 HydrophobicContact CE2-CG2 3.3Å; Y528-T532 HydrophobicContact CG-CG2 4.14Å; Y528-T532 VanDerWaalsContact O-CB 3.3Å; Y528-T532 WeakPolarHBondContact O-CB 3.32Å; Y528-T532 WeakPolarHBondContact O-CG2 3.47Å; Y528-T532 PolarHBondContact O-N 3.4Å; Y528-T532 VanDerWaalsContact O-N 3.11Å; Y528-T532 PolarHBondContact O-OG1 3.42Å; L530-T532 VanDerWaalsContact C-N 3.29Å; L530-T532 PolarHBondContact O-N 3.01Å
533	K	72.7	Confident	73	Confident	85 Å²	85	65.8 Å²	65.8	37%	0.37	33%	0.328	S	S	.	.			trans	-64.6	142.5	168.3	-64	-178.1	179.7	-179	0	109.1	L530 W601	L530-K533 PolarHBondContact O-N 3.48Å; K533-W601 WeakPolarHBondContact O-CZ2 3.36Å
534	M	59.2	Low	72.3	Confident	29 Å²	29	63 Å²	63	14%	0.143	32%	0.318	C	S	.	.	S	Bend	trans	-75.3	-31.6	-177.8	-67.7	-48.8	-60.7	0	0	113.4	K389 E392 A393	K389-M534 HydrophobicContact CD-SD 4.08Å; K389-M534 WeakPolarHBondContact CE-SD 3.36Å; K389-M534 HydrophobicContact CG-CG 3.58Å; K389-M534 HydrophobicContact CG-SD 3.35Å; K389-M534 WeakPolarHBondContact CG-SD 3.37Å; E392-M534 HydrophobicContact CB-CE 4.46Å; A393-M534 VanDerWaalsContact CA-CE 3.42Å; A393-M534 HydrophobicContact CB-CE 3.52Å
535	R	62.6	Low	71.5	Confident	139 Å²	139	65.1 Å²	65.1	53%	0.525	34%	0.339	S	S	.	.	S	Bend	trans	-139.6	159.6	-179.9	-65.6	176.9	176.3	158.2	-4.8	108.2	H396	H396-R535 PolarHBondContact CE1-NH2 2.87Å; H396-R535 PolarHBondContact NE2-NE 3.47Å; H396-R535 PolarHBondContact NE2-NH2 2.78Å
536	P	61.9	Low	70.8	Confident	48 Å²	48	67.5 Å²	67.5	31%	0.312	36%	0.364	S	S	.	.			trans	-48.9	136	163.2	-29.2	38.4	0	0	0	111.1	T538 L575 W601	P536-T538 PolarHBondContact O-N 3.31Å; P536-L575 WeakPolarHBondContact CB-O 3.24Å; P536-L575 HydrophobicContact CG-CB 3.98Å; P536-W601 HydrophobicContact CG-CE3 4.21Å; P536-W601 HydrophobicContact CG-CZ3 4.46Å
537	P	62.1	Low	70.5	Confident	44 Å²	44	66.9 Å²	66.9	29%	0.286	36%	0.361	S	S	.	.			trans	-61.7	122.4	175.4	26	-32.4	0	0	0	109.5	D539	P537-D539 VanDerWaalsContact C-N 3.29Å; P537-D539 PolarHBondContact O-N 3.06Å
538	T	57.4	Low	70.6	Confident	138 Å²	138	73.7 Å²	73.7	85%	0.847	39%	0.39	S	S	*	.			trans	-74.3	-17.3	-177.2	40.8	0	0	0	0	113.8	P536	P536-T538 PolarHBondContact O-N 3.31Å
539	D	54.4	Low	70.7	Confident	114 Å²	114	73.6 Å²	73.6	61%	0.61	39%	0.389	S	S	*	.	S	Bend	trans	-127	127.2	-173	-95.1	-68	0	0	0	114.9	P537 D541	P537-D539 VanDerWaalsContact C-N 3.29Å; P537-D539 PolarHBondContact O-N 3.06Å; D539-D541 PolarHBondContact O-N 2.97Å
540	K	52.7	Low	71.1	Confident	195 Å²	195	70.6 Å²	70.6	85%	0.848	38%	0.378	S	S	*	.	S	Bend	trans	65.8	-27.6	150	-63.7	179.3	-176.2	175.1	0	121.6
541	D	52.6	Low	71.9	Confident	151 Å²	151	68.5 Å²	68.5	81%	0.807	37%	0.367	S	S	*	.			trans	-107.4	74.4	-175.2	-129.6	-4.4	0	0	0	112.9	D539	D539-D541 PolarHBondContact O-N 2.97Å
542	T	64.2	Low	72.6	Confident	31 Å²	31	68.1 Å²	68.1	19%	0.19	37%	0.365	C	S	.	.			trans	-114.6	127	178.3	56	0	0	0	0	111.5	S544 G545 G546 N578	T542-S544 WeakPolarHBondContact CB-OG 3.34Å; T542-S544 PolarHBondContact O-N 3.26Å; T542-S544 VanDerWaalsContact O-N 3.16Å; T542-S544 PolarHBondContact OG1-OG 3Å; T542-G545 PolarHBondContact O-N 3.3Å; T542-G546 PolarHBondContact OG1-N 3.41Å; T542-N578 HydrophobicContact CG2-CB 4.28Å
543	L	73	Confident	73.6	Confident	83 Å²	83	66.9 Å²	66.9	44%	0.435	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.9	172.9	-79.4	173	0	0	0	112.3	G545 E833 V836 R840	L543-G545 PolarHBondContact O-N 2.96Å; L543-G545 VanDerWaalsContact O-N 3.16Å; L543-E833 HydrophobicContact CD1-CB 4.4Å; L543-E833 HydrophobicContact CD1-CG 4.03Å; L543-V836 HydrophobicContact CB-CG1 3.91Å; L543-R840 WeakPolarHBondContact O-CD 2.82Å; L543-R840 PolarHBondContact O-NH1 3.05Å; L543-R840 VanDerWaalsContact O-NH1 3.08Å
544	S	71.7	Confident	74.7	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-8.8	175.3	66	0	0	0	0	114.2	T542 G546 H547 H577	T542-S544 WeakPolarHBondContact CB-OG 3.34Å; T542-S544 PolarHBondContact O-N 3.26Å; T542-S544 VanDerWaalsContact O-N 3.16Å; T542-S544 PolarHBondContact OG1-OG 3Å; S544-G546 PolarHBondContact O-N 3.21Å; S544-H547 WeakPolarHBondContact CB-O 3.29Å; S544-H547 WeakPolarHBondContact O-CB 3.22Å; S544-H547 PolarHBondContact O-CD2 3.03Å; S544-H547 VanDerWaalsContact O-CD2 3.22Å; S544-H547 PolarHBondContact O-N 2.97Å; S544-H547 VanDerWaalsContact O-N 3.14Å; S544-H547 PolarHBondContact OG-O 3.14Å; S544-H577 PolarHBondContact OG-O 3.29Å
545	G	74.1	Confident	76.6	Confident	44 Å²	44	61.5 Å²	61.5	45%	0.454	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	26.5	179.3	0	0	0	0	0	113.5	T542 L543	T542-G545 PolarHBondContact O-N 3.3Å; L543-G545 PolarHBondContact O-N 2.96Å; L543-G545 VanDerWaalsContact O-N 3.16Å
546	G	76.4	Confident	78.2	Confident	52 Å²	52	54.9 Å²	54.9	54%	0.536	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	-8.8	-174.8	0	0	0	0	0	115.2	T542 S544	T542-G546 PolarHBondContact OG1-N 3.41Å; S544-G546 PolarHBondContact O-N 3.21Å
547	H	81.5	Confident	79.8	Confident	80 Å²	80	52.7 Å²	52.7	37%	0.37	29%	0.294	S	S	.	.			trans	-69.4	145.7	172.1	-65	-80.8	0	0	0	111.3	S544 F549	S544-H547 WeakPolarHBondContact CB-O 3.29Å; S544-H547 WeakPolarHBondContact O-CB 3.22Å; S544-H547 PolarHBondContact O-CD2 3.03Å; S544-H547 VanDerWaalsContact O-CD2 3.22Å; S544-H547 PolarHBondContact O-N 2.97Å; S544-H547 VanDerWaalsContact O-N 3.14Å; S544-H547 PolarHBondContact OG-O 3.14Å; H547-F549 HydrophobicContact CB-CD2 4.47Å; H547-F549 HydrophobicContact CB-CE1 3.95Å; H547-F549 HydrophobicContact CB-CE2 3.81Å; H547-F549 HydrophobicContact CB-CZ 3.5Å
548	K	86.9	Confident	81.4	Confident	152 Å²	152	52.2 Å²	52.2	66%	0.661	29%	0.294	S	S	*	.			trans	-108.8	93.2	175.4	-69.3	-172.1	173.2	-173.5	0	109.7	N578	K548-N578 WeakPolarHBondContact CE-ND2 3.43Å
549	F	92.3	Very high	83.2	Confident	5 Å²	5	47.7 Å²	47.7	2%	0.022	27%	0.267	C	S	.	.			trans	-83.6	147.8	177.5	-57.5	-61.9	0	0	0	111.5	H547 L551 C579 R580 D639 V836 A839 R840 V843 V849	H547-F549 HydrophobicContact CB-CD2 4.47Å; H547-F549 HydrophobicContact CB-CE1 3.95Å; H547-F549 HydrophobicContact CB-CE2 3.81Å; H547-F549 HydrophobicContact CB-CZ 3.5Å; F549-L551 HydrophobicContact CB-CD2 4.18Å; F549-L551 HydrophobicContact CB-CG 4.45Å; F549-C579 CarbonylContact O-C 3.54Å; F549-C579 VanDerWaalsContact O-CA 3.26Å; F549-C579 WeakPolarHBondContact O-CA 3.34Å; F549-C579 WeakPolarHBondContact O-CB 3.45Å; F549-R580 PolarHBondContact O-N 3.14Å; F549-D639 HydrophobicContact CB-CB 4.24Å; F549-D639 HydrophobicContact CD1-CB 4.3Å; F549-V836 HydrophobicContact CD2-CG1 4.43Å; F549-V836 HydrophobicContact CE2-CG1 4.34Å; F549-A839 HydrophobicContact CD1-CB 3.89Å; F549-A839 HydrophobicContact CD2-CB 4.06Å; F549-A839 HydrophobicContact CE1-CB 3.83Å; F549-A839 HydrophobicContact CE2-CB 3.99Å; F549-A839 HydrophobicContact CG-CB 4.01Å; F549-A839 HydrophobicContact CZ-CB 3.88Å; F549-R840 HydrophobicContact CE2-CB 4.42Å; F549-R840 HydrophobicContact CZ-CB 4.21Å; F549-V843 HydrophobicContact CE1-CG2 3.71Å; F549-V843 HydrophobicContact CZ-CG2 3.82Å; F549-V849 HydrophobicContact CD1-CG2 3.74Å; F549-V849 HydrophobicContact CE1-CG2 3.65Å
550	T	96.2	Very high	85.1	Confident	15 Å²	15	42.3 Å²	42.3	9%	0.092	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	104.8	169.4	-54.3	0	0	0	0	109.7	R580 L582 K637 D639	T550-R580 CarbonylContact C-O 3.47Å; T550-R580 WeakPolarHBondContact CA-O 3.45Å; T550-R580 HydrophobicContact CG2-CB 4.42Å; T550-R580 HydrophobicContact CG2-CG 4.39Å; T550-L582 HydrophobicContact CG2-CD1 3.63Å; T550-L582 HydrophobicContact CG2-CG 3.94Å; T550-K637 VanDerWaalsContact CB-O 3.26Å; T550-K637 WeakPolarHBondContact CB-O 3.31Å; T550-D639 PolarHBondContact N-OD2 3.05Å; T550-D639 PolarHBondContact O-N 3.25Å
551	L	97.1	Very high	87.1	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.6	-179.4	-55.2	-178.6	0	0	0	110.6	F549 F570 A574 C579 R580 V581 L582 G640 V836	F549-L551 HydrophobicContact CB-CD2 4.18Å; F549-L551 HydrophobicContact CB-CG 4.45Å; L551-F570 HydrophobicContact CB-CE1 4.49Å; L551-F570 HydrophobicContact CB-CZ 3.92Å; L551-F570 HydrophobicContact CD1-CZ 4.45Å; L551-A574 HydrophobicContact CD1-CB 4.11Å; L551-C579 HydrophobicContact CD1-CB 4.11Å; L551-C579 HydrophobicContact CG-CB 4.24Å; L551-R580 PolarHBondContact N-O 2.94Å; L551-V581 CarbonylContact O-C 3.57Å; L551-V581 WeakPolarHBondContact O-CA 3.44Å; L551-L582 PolarHBondContact O-N 2.64Å; L551-G640 WeakPolarHBondContact CA-O 3.25Å; L551-V836 HydrophobicContact CD1-CG2 4.07Å
552	A	97.7	Very high	89	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	145.1	176.6	0	0	0	0	0	112.2	L582 I584 I638 G640 L641 F642	A552-L582 CarbonylContact C-O 3.52Å; A552-L582 VanDerWaalsContact CA-O 3.27Å; A552-L582 WeakPolarHBondContact CA-O 3.27Å; A552-L582 HydrophobicContact CB-CB 4.28Å; A552-I584 HydrophobicContact CB-CD1 4.08Å; A552-I584 HydrophobicContact CB-CG1 4.46Å; A552-I638 HydrophobicContact CB-CD1 3.67Å; A552-I638 HydrophobicContact CB-CG1 3.94Å; A552-I638 HydrophobicContact CB-CG2 3.76Å; A552-G640 PolarHBondContact N-O 3.4Å; A552-L641 HydrophobicContact CB-CD1 3.87Å; A552-F642 PolarHBondContact O-N 3.24Å
553	V	98	Very high	90.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.9	174.8	56.5	0	0	0	0	111.3	V567 F570 L582 I584 L615 F642 I644	V553-V567 HydrophobicContact CG1-CG1 4.32Å; V553-V567 HydrophobicContact CG2-CG2 4.08Å; V553-F570 HydrophobicContact CB-CD1 3.69Å; V553-F570 HydrophobicContact CB-CE1 3.61Å; V553-F570 HydrophobicContact CB-CZ 4.38Å; V553-F570 HydrophobicContact CG1-CD1 3.84Å; V553-F570 HydrophobicContact CG1-CE1 3.91Å; V553-F570 HydrophobicContact CG2-CD1 4.21Å; V553-L582 PolarHBondContact N-O 2.8Å; V553-I584 PolarHBondContact O-N 3.48Å; V553-L615 HydrophobicContact CG1-CD1 4.41Å; V553-F642 WeakPolarHBondContact CA-O 3.27Å; V553-F642 HydrophobicContact CB-CB 4.34Å; V553-F642 HydrophobicContact CB-CD1 4.27Å; V553-F642 HydrophobicContact CG2-CB 4.41Å; V553-F642 HydrophobicContact CG2-CD1 3.66Å; V553-F642 HydrophobicContact CG2-CE1 4.46Å; V553-F642 HydrophobicContact CG2-CG 4.44Å; V553-I644 HydrophobicContact CG2-CD1 3.79Å; V553-I644 HydrophobicContact CG2-CG1 4.36Å
554	M	97.6	Very high	91.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	150.4	171	73.4	178.7	152.6	0	0	113.3	V556 I584 F588 L641 F642 L643 I644	M554-V556 HydrophobicContact CG-CG2 3.94Å; M554-V556 HydrophobicContact SD-CG2 4.35Å; M554-I584 HydrophobicContact CB-CB 3.87Å; M554-I584 HydrophobicContact CB-CD1 4.25Å; M554-I584 HydrophobicContact CB-CG1 4.5Å; M554-I584 HydrophobicContact CB-CG2 4.48Å; M554-I584 HydrophobicContact CE-CD1 4.45Å; M554-I584 HydrophobicContact CG-CD1 4.44Å; M554-I584 HydrophobicContact SD-CB 4.47Å; M554-I584 HydrophobicContact SD-CD1 3.95Å; M554-I584 HydrophobicContact SD-CG2 4.29Å; M554-F588 HydrophobicContact CE-CD1 3.87Å; M554-F588 HydrophobicContact CE-CD2 4.27Å; M554-F588 HydrophobicContact CE-CE1 3.35Å; M554-F588 HydrophobicContact CE-CE2 3.8Å; M554-F588 HydrophobicContact CE-CG 4.31Å; M554-F588 HydrophobicContact CE-CZ 3.31Å; M554-L641 HydrophobicContact CE-CD1 4.26Å; M554-L641 HydrophobicContact CE-CD2 4.2Å; M554-F642 PolarHBondContact N-O 3.4Å; M554-L643 HydrophobicContact CE-CD2 3.34Å; M554-L643 HydrophobicContact CG-CD2 3.86Å; M554-L643 HydrophobicContact SD-CD2 4.41Å; M554-I644 PolarHBondContact O-N 3Å
555	N	97.9	Very high	92.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	139.7	174.5	-60.6	-13.5	0	0	0	109.1	M563 V567 S587 S613 I644	N555-M563 HydrophobicContact CB-SD 4.09Å; N555-V567 WeakPolarHBondContact OD1-CG2 3.35Å; N555-S587 WeakPolarHBondContact O-CB 3.36Å; N555-S587 PolarHBondContact O-OG 2.9Å; N555-S613 PolarHBondContact ND2-OG 3.23Å; N555-I644 CarbonylContact C-O 3.56Å; N555-I644 WeakPolarHBondContact CA-O 3.41Å; N555-I644 WeakPolarHBondContact OD1-CB 3.43Å
556	V	97.1	Very high	93.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	128.8	-175.8	-171.5	0	0	0	0	111.5	M554 F588 T617 L643 I644 G645 G646 E648 A649	M554-V556 HydrophobicContact CG-CG2 3.94Å; M554-V556 HydrophobicContact SD-CG2 4.35Å; V556-F588 HydrophobicContact CG1-CD2 4.45Å; V556-F588 HydrophobicContact CG1-CE2 4.22Å; V556-F588 HydrophobicContact CG2-CD2 4.48Å; V556-F588 HydrophobicContact CG2-CE2 4.04Å; V556-T617 PolarHBondContact N-OG1 2.7Å; V556-L643 HydrophobicContact CG2-CD2 4.3Å; V556-I644 PolarHBondContact N-O 3.38Å; V556-G645 WeakPolarHBondContact O-CA 3.23Å; V556-G646 PolarHBondContact O-N 3.02Å; V556-E648 HydrophobicContact CG1-CB 3.88Å; V556-A649 HydrophobicContact CB-CB 4.08Å
557	G	95.4	Very high	94.9	Very high	2 Å²	2	15.9 Å²	15.9	2%	0.021	8%	0.083	C	C	.	.	S	Bend	trans	106.9	-153.4	-178.5	0	0	0	0	0	113.2	T617 Q618	G557-T617 PolarHBondContact N-OG1 3.18Å; G557-T617 WeakPolarHBondContact O-CG2 3.38Å; G557-T617 PolarHBondContact O-OG1 2.89Å; G557-Q618 PolarHBondContact N-O 2.94Å
558	A	94.5	Very high	95.5	Very high	35 Å²	35	12.5 Å²	12.5	29%	0.289	7%	0.067	S	C	.	.	S	Bend	trans	-76.2	147.1	175.5	0	0	0	0	0	111.5	M563	A558-M563 WeakPolarHBondContact O-CE 3.46Å
559	P	95.2	Very high	95.9	Very high	43 Å²	43	5.2 Å²	5.2	28%	0.279	4%	0.036	S	C	.	.			trans	-64.2	141.7	175.9	27.3	-34.4	0	0	0	111.5	T617	P559-T617 HydrophobicContact CB-CG2 3.99Å; P559-T617 HydrophobicContact CG-CG2 4.49Å
560	A	95.3	Very high	96	Very high	1 Å²	1	5 Å²	5	1%	0.008	4%	0.035	C	C	.	.			trans	-144.4	146.8	176.5	0	0	0	0	0	110.3	G562 M563 I677	A560-G562 PolarHBondContact O-N 3.22Å; A560-M563 HydrophobicContact CB-CE 4.49Å; A560-M563 WeakPolarHBondContact O-CG 3.25Å; A560-M563 PolarHBondContact O-N 3.38Å; A560-I677 HydrophobicContact CB-CG2 4.29Å
561	C	94.3	Very high	95.9	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	135	175.4	-97.9	0	0	0	0	111.4	G611 I688 G689 T692 Q812 P816	C561-G611 WeakPolarHBondContact SG-CA 3.36Å; C561-I688 WeakPolarHBondContact O-CG2 3.33Å; C561-G689 WeakPolarHBondContact O-CA 3.49Å; C561-G689 PolarHBondContact O-N 2.84Å; C561-T692 HydrophobicContact CB-CG2 3.75Å; C561-T692 WeakPolarHBondContact CB-OG1 3.46Å; C561-Q812 PolarHBondContact SG-O 2.98Å; C561-P816 HydrophobicContact CB-CB 3.74Å
562	G	93.7	Very high	95.6	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.2	-13.5	-176.9	0	0	0	0	0	115.7	A560 N564 A565 A566 A824	A560-G562 PolarHBondContact O-N 3.22Å; G562-N564 PolarHBondContact O-N 2.83Å; G562-A565 PolarHBondContact O-N 3.11Å; G562-A566 PolarHBondContact O-N 3.35Å; G562-A824 WeakPolarHBondContact O-CB 3.45Å
563	M	96.7	Very high	95.2	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-53.8	-50.1	172.6	-75.4	-174.3	169.1	0	0	112.1	N555 A558 A560 A565 A566 V567 T617 I644 C675	N555-M563 HydrophobicContact CB-SD 4.09Å; A558-M563 WeakPolarHBondContact O-CE 3.46Å; A560-M563 HydrophobicContact CB-CE 4.49Å; A560-M563 WeakPolarHBondContact O-CG 3.25Å; A560-M563 PolarHBondContact O-N 3.38Å; M563-A565 VanDerWaalsContact C-N 3.34Å; M563-A565 PolarHBondContact O-N 3.26Å; M563-A566 PolarHBondContact O-N 3.42Å; M563-V567 WeakPolarHBondContact O-CG2 3.25Å; M563-V567 PolarHBondContact O-N 3.23Å; M563-T617 HydrophobicContact SD-CG2 4.45Å; M563-I644 HydrophobicContact CG-CG2 4.26Å; M563-C675 HydrophobicContact CE-CB 4.48Å; M563-C675 HydrophobicContact CG-CB 4.39Å; M563-C675 WeakPolarHBondContact CG-SG 3.27Å
564	N	96.5	Very high	94.9	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-63	-37.8	179.6	-61.9	-36	0	0	0	112.6	G562 V567 R568 W607 Y610 G611 G612 S613 F614	G562-N564 PolarHBondContact O-N 2.83Å; N564-V567 PolarHBondContact O-N 3.32Å; N564-R568 WeakPolarHBondContact O-CB 3.3Å; N564-R568 PolarHBondContact O-N 2.82Å; N564-W607 HydrophobicContact CB-CB 4.19Å; N564-W607 HydrophobicContact CB-CE3 4.35Å; N564-W607 WeakPolarHBondContact CB-O 3.48Å; N564-Y610 PolarHBondContact ND2-O 3.3Å; N564-G611 PolarHBondContact ND2-O 3.34Å; N564-G612 PolarHBondContact ND2-O 3.25Å; N564-S613 WeakPolarHBondContact OD1-CA 3.4Å; N564-F614 PolarHBondContact OD1-N 3.43Å
565	A	95.2	Very high	94.6	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.008	4%	0.041	C	C	.	.	H	α-helix	trans	-65.9	-39.4	175.8	0	0	0	0	0	112.3	G562 M563 S569 A824	G562-A565 PolarHBondContact O-N 3.11Å; M563-A565 VanDerWaalsContact C-N 3.34Å; M563-A565 PolarHBondContact O-N 3.26Å; A565-S569 WeakPolarHBondContact O-CB 3.29Å; A565-S569 PolarHBondContact O-N 2.98Å; A565-A824 HydrophobicContact CB-CB 3.93Å
566	A	96.6	Very high	94	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-66.5	-46.5	175	0	0	0	0	0	111.6	G562 M563 R568 S569 F570 I644 L673 A824 A828	G562-A566 PolarHBondContact O-N 3.35Å; M563-A566 PolarHBondContact O-N 3.42Å; A566-R568 VanDerWaalsContact C-N 3.35Å; A566-R568 PolarHBondContact O-N 3.06Å; A566-S569 PolarHBondContact O-N 3.46Å; A566-F570 VanDerWaalsContact O-CB 3.31Å; A566-F570 WeakPolarHBondContact O-CB 3.31Å; A566-F570 PolarHBondContact O-N 3.47Å; A566-I644 HydrophobicContact CB-CD1 3.75Å; A566-I644 HydrophobicContact CB-CG2 4.24Å; A566-L673 HydrophobicContact CB-CD2 3.83Å; A566-A824 HydrophobicContact CB-CB 4.04Å; A566-A828 HydrophobicContact CB-CB 4.13Å; A566-A828 WeakPolarHBondContact O-CB 3.38Å
567	V	97.1	Very high	93.3	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-58.2	-46.6	174.9	176.4	0	0	0	0	111	V553 N555 M563 N564 S569 F570 V571 V604 W607 L615 I644	V553-V567 HydrophobicContact CG1-CG1 4.32Å; V553-V567 HydrophobicContact CG2-CG2 4.08Å; N555-V567 WeakPolarHBondContact OD1-CG2 3.35Å; M563-V567 WeakPolarHBondContact O-CG2 3.25Å; M563-V567 PolarHBondContact O-N 3.23Å; N564-V567 PolarHBondContact O-N 3.32Å; V567-S569 PolarHBondContact O-N 3.17Å; V567-F570 PolarHBondContact O-N 2.85Å; V567-V571 HydrophobicContact CG1-CG2 4.21Å; V567-V571 WeakPolarHBondContact O-CG2 3.38Å; V567-V571 PolarHBondContact O-N 2.89Å; V567-V604 HydrophobicContact CG1-CG1 4.46Å; V567-W607 HydrophobicContact CB-CE3 4.27Å; V567-W607 HydrophobicContact CB-CZ3 4.13Å; V567-W607 HydrophobicContact CG1-CE3 4.13Å; V567-W607 HydrophobicContact CG1-CZ3 3.64Å; V567-L615 HydrophobicContact CG1-CD1 4.01Å; V567-L615 HydrophobicContact CG2-CD1 3.94Å; V567-I644 HydrophobicContact CG2-CD1 3.62Å
568	R	94.8	Very high	92.8	Very high	8 Å²	8	11 Å²	11	3%	0.03	6%	0.064	C	C	.	.	H	α-helix	trans	-57	-51.8	177.4	172.1	-172.8	170.8	-94.5	8.6	112.6	E367 N564 A566 F570 V571 R572 V604 W607	E367-R568 VanDerWaalsContact CB-NH2 3.3Å; E367-R568 VanDerWaalsContact CD-CD 3.49Å; E367-R568 VanDerWaalsContact CD-CZ 3.4Å; E367-R568 VanDerWaalsContact CG-CZ 3.49Å; E367-R568 VanDerWaalsContact CG-NH2 3.3Å; E367-R568 WeakPolarHBondContact OE1-CD 3.38Å; E367-R568 IonicContact OE1-CZ 2.72Å; E367-R568 IonicContact OE1-NE 3.21Å; E367-R568 PolarHBondContact OE1-NE 3.14Å; E367-R568 VanDerWaalsContact OE1-NE 3.16Å; E367-R568 IonicContact OE2-CZ 3.96Å; E367-R568 VanDerWaalsContact OE2-CZ 3.31Å; E367-R568 IonicContact OE2-NE 3.71Å; E367-R568 PolarHBondContact OE2-NE 2.7Å; E367-R568 IonicContact OE2-NH2 3.23Å; E367-R568 PolarHBondContact OE2-NH2 2.84Å; E367-R568 VanDerWaalsContact OE2-NH2 3.17Å; N564-R568 WeakPolarHBondContact O-CB 3.3Å; N564-R568 PolarHBondContact O-N 2.82Å; A566-R568 VanDerWaalsContact C-N 3.35Å; A566-R568 PolarHBondContact O-N 3.06Å; R568-F570 VanDerWaalsContact C-N 3.31Å; R568-F570 PolarHBondContact O-N 3.42Å; R568-V571 PolarHBondContact O-N 3.04Å; R568-R572 PolarHBondContact O-N 3.36Å; R568-V604 HydrophobicContact CB-CB 4.02Å; R568-V604 HydrophobicContact CB-CG2 4.31Å; R568-V604 WeakPolarHBondContact CD-O 3.45Å; R568-V604 HydrophobicContact CG-CB 4.14Å; R568-V604 HydrophobicContact CG-CG2 4.02Å; R568-V604 WeakPolarHBondContact CG-O 3.22Å; R568-W607 HydrophobicContact CB-CB 4.19Å
569	S	93.8	Very high	92.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.2	-39.2	-178.2	-179.3	0	0	0	0	111.2	A565 A566 V567 N573 T825	A565-S569 WeakPolarHBondContact O-CB 3.29Å; A565-S569 PolarHBondContact O-N 2.98Å; A566-S569 PolarHBondContact O-N 3.46Å; V567-S569 PolarHBondContact O-N 3.17Å; S569-N573 WeakPolarHBondContact O-CB 3.27Å; S569-N573 PolarHBondContact O-N 3.49Å; S569-N573 PolarHBondContact O-ND2 3.26Å; S569-N573 PolarHBondContact OG-ND2 3.36Å; S569-T825 WeakPolarHBondContact CB-O 3.33Å; S569-T825 PolarHBondContact OG-O 2.86Å
570	F	95.4	Very high	92.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-59.5	-53.8	173.6	178.1	-95.4	0	0	0	112.1	L551 V553 A566 V567 R568 R572 N573 A574 V581 F642 A828 V832 L835	L551-F570 HydrophobicContact CB-CE1 4.49Å; L551-F570 HydrophobicContact CB-CZ 3.92Å; L551-F570 HydrophobicContact CD1-CZ 4.45Å; V553-F570 HydrophobicContact CB-CD1 3.69Å; V553-F570 HydrophobicContact CB-CE1 3.61Å; V553-F570 HydrophobicContact CB-CZ 4.38Å; V553-F570 HydrophobicContact CG1-CD1 3.84Å; V553-F570 HydrophobicContact CG1-CE1 3.91Å; V553-F570 HydrophobicContact CG2-CD1 4.21Å; A566-F570 VanDerWaalsContact O-CB 3.31Å; A566-F570 WeakPolarHBondContact O-CB 3.31Å; A566-F570 PolarHBondContact O-N 3.47Å; V567-F570 PolarHBondContact O-N 2.85Å; R568-F570 VanDerWaalsContact C-N 3.31Å; R568-F570 PolarHBondContact O-N 3.42Å; F570-R572 PolarHBondContact O-N 3.22Å; F570-N573 PolarHBondContact O-N 3.39Å; F570-A574 VanDerWaalsContact O-CB 3.24Å; F570-A574 WeakPolarHBondContact O-CB 3.38Å; F570-A574 PolarHBondContact O-N 2.94Å; F570-V581 HydrophobicContact CD1-CG1 4.18Å; F570-V581 HydrophobicContact CE1-CG1 3.81Å; F570-F642 HydrophobicContact CB-CD1 3.91Å; F570-F642 HydrophobicContact CB-CE1 3.8Å; F570-F642 HydrophobicContact CD1-CD1 4.15Å; F570-F642 HydrophobicContact CD2-CB 4.06Å; F570-F642 AromaticContact CD2-CD1 3.22Å; F570-F642 HydrophobicContact CD2-CD1 3.22Å; F570-F642 AromaticContact CD2-CE1 3.7Å; F570-F642 HydrophobicContact CD2-CE1 3.7Å; F570-F642 AromaticContact CD2-CG 3.74Å; F570-F642 HydrophobicContact CD2-CG 3.74Å; F570-F642 HydrophobicContact CE1-CB 4.45Å; F570-F642 HydrophobicContact CE2-CB 3.55Å; F570-F642 AromaticContact CE2-CD1 3.67Å; F570-F642 HydrophobicContact CE2-CD1 3.67Å; F570-F642 AromaticContact CE2-CG 3.73Å; F570-F642 HydrophobicContact CE2-CG 3.73Å; F570-F642 AromaticContact CG-CD1 3.49Å; F570-F642 HydrophobicContact CG-CD1 3.49Å; F570-F642 VanDerWaalsContact CG-CD1 3.49Å; F570-F642 AromaticContact CG-CE1 3.89Å; F570-F642 HydrophobicContact CG-CE1 3.89Å; F570-F642 HydrophobicContact CG-CG 4.37Å; F570-F642 HydrophobicContact CZ-CB 3.75Å; F570-F642 HydrophobicContact CZ-CD1 4.28Å; F570-F642 HydrophobicContact CZ-CG 4.34Å; F570-A828 HydrophobicContact CB-CB 4.27Å; F570-V832 HydrophobicContact CB-CG2 4.44Å; F570-V832 HydrophobicContact CD2-CG2 3.35Å; F570-V832 HydrophobicContact CE2-CG2 3.76Å; F570-V832 HydrophobicContact CG-CG2 4.05Å; F570-L835 HydrophobicContact CE2-CD1 3.72Å; F570-L835 HydrophobicContact CZ-CD1 4.32Å
571	V	94.4	Very high	92.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-57.8	-49.5	-178.9	169.9	0	0	0	0	110.9	V567 R568 A574 L575 V581 M599 V604	V567-V571 HydrophobicContact CG1-CG2 4.21Å; V567-V571 WeakPolarHBondContact O-CG2 3.38Å; V567-V571 PolarHBondContact O-N 2.89Å; R568-V571 PolarHBondContact O-N 3.04Å; V571-A574 PolarHBondContact O-N 3.09Å; V571-L575 HydrophobicContact CG1-CD1 3.77Å; V571-L575 HydrophobicContact CG1-CG 4.46Å; V571-L575 WeakPolarHBondContact O-CB 3.35Å; V571-L575 WeakPolarHBondContact O-CG 3.36Å; V571-L575 PolarHBondContact O-N 3.2Å; V571-V581 HydrophobicContact CB-CG1 4.49Å; V571-V581 HydrophobicContact CG2-CG1 3.87Å; V571-M599 HydrophobicContact CG1-CB 4Å; V571-M599 HydrophobicContact CG2-CB 3.94Å; V571-M599 HydrophobicContact CG2-CG 4.31Å; V571-V604 HydrophobicContact CB-CG1 4.05Å; V571-V604 HydrophobicContact CB-CG2 4.1Å; V571-V604 HydrophobicContact CG1-CG1 4.15Å; V571-V604 HydrophobicContact CG1-CG2 3.95Å; V571-V604 HydrophobicContact CG2-CG1 3.95Å
572	R	90.9	Very high	92.8	Very high	18 Å²	18	12.7 Å²	12.7	7%	0.068	6%	0.058	C	C	.	.	H	α-helix	trans	-65.5	-43.7	-179.2	-72	-172	175.7	-172.6	3.6	112.7	L531 R568 F570 C576 W601 V604 T605	L531-R572 HydrophobicContact CD2-CB 3.81Å; R568-R572 PolarHBondContact O-N 3.36Å; F570-R572 PolarHBondContact O-N 3.22Å; R572-C576 WeakPolarHBondContact O-CB 3.42Å; R572-C576 PolarHBondContact O-N 3.26Å; R572-W601 HydrophobicContact CB-CE3 4.21Å; R572-W601 HydrophobicContact CB-CH2 3.78Å; R572-W601 HydrophobicContact CB-CZ2 4.22Å; R572-W601 HydrophobicContact CB-CZ3 3.78Å; R572-W601 HydrophobicContact CG-CD2 4.01Å; R572-W601 HydrophobicContact CG-CE3 4.02Å; R572-W601 HydrophobicContact CG-CH2 4.01Å; R572-W601 HydrophobicContact CG-CZ2 3.97Å; R572-W601 HydrophobicContact CG-CZ3 4.04Å; R572-W601 VanDerWaalsContact O-CZ3 3.28Å; R572-W601 WeakPolarHBondContact O-CZ3 3.42Å; R572-V604 HydrophobicContact CG-CG2 4.14Å; R572-T605 PolarHBondContact NH2-OG1 3.17Å
573	N	89.8	Confident	93	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.016	6%	0.058	C	C	.	.	H	α-helix	trans	-68.1	-39.6	177.9	-75.6	-69.3	0	0	0	112.6	L531 S569 F570 C576 H577 A829 V832	L531-N573 VanDerWaalsContact CD2-ND2 3.34Å; L531-N573 WeakPolarHBondContact CD2-ND2 3.39Å; S569-N573 WeakPolarHBondContact O-CB 3.27Å; S569-N573 PolarHBondContact O-N 3.49Å; S569-N573 PolarHBondContact O-ND2 3.26Å; S569-N573 PolarHBondContact OG-ND2 3.36Å; F570-N573 PolarHBondContact O-N 3.39Å; N573-C576 WeakPolarHBondContact O-CB 3.33Å; N573-C576 PolarHBondContact O-N 3.16Å; N573-H577 PolarHBondContact O-CD2 2.98Å; N573-H577 PolarHBondContact O-N 2.87Å; N573-A829 WeakPolarHBondContact ND2-CB 3.47Å; N573-V832 HydrophobicContact CB-CB 4.17Å; N573-V832 HydrophobicContact CB-CG1 4.27Å; N573-V832 HydrophobicContact CB-CG2 3.99Å
574	A	91.7	Very high	93.1	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.6	-43.2	178.2	0	0	0	0	0	112	L551 F570 V571 C576 H577 C579 V581 V832	L551-A574 HydrophobicContact CD1-CB 4.11Å; F570-A574 VanDerWaalsContact O-CB 3.24Å; F570-A574 WeakPolarHBondContact O-CB 3.38Å; F570-A574 PolarHBondContact O-N 2.94Å; V571-A574 PolarHBondContact O-N 3.09Å; A574-C576 VanDerWaalsContact C-N 3.3Å; A574-C576 PolarHBondContact O-N 2.96Å; A574-H577 CarbonylContact O-C 3.52Å; A574-H577 PolarHBondContact O-N 3.5Å; A574-C579 HydrophobicContact CB-CB 4.41Å; A574-C579 WeakPolarHBondContact O-CB 3.09Å; A574-C579 PolarHBondContact O-N 3.37Å; A574-V581 HydrophobicContact CB-CG2 3.53Å; A574-V832 HydrophobicContact CB-CG1 4.05Å; A574-V832 HydrophobicContact CB-CG2 4.14Å
575	L	90.1	Very high	93.1	Very high	28 Å²	28	16.5 Å²	16.5	15%	0.147	8%	0.075	C	C	.	.	H	α-helix	trans	-60.2	-40.5	172.4	-69.7	170.6	0	0	0	111.3	P536 V571 H577 N578 V581 W601	P536-L575 WeakPolarHBondContact CB-O 3.24Å; P536-L575 HydrophobicContact CG-CB 3.98Å; V571-L575 HydrophobicContact CG1-CD1 3.77Å; V571-L575 HydrophobicContact CG1-CG 4.46Å; V571-L575 WeakPolarHBondContact O-CB 3.35Å; V571-L575 WeakPolarHBondContact O-CG 3.36Å; V571-L575 PolarHBondContact O-N 3.2Å; L575-H577 PolarHBondContact O-N 2.94Å; L575-H577 VanDerWaalsContact O-N 3.12Å; L575-N578 PolarHBondContact O-N 2.85Å; L575-V581 HydrophobicContact CD2-CG2 4.07Å; L575-V581 HydrophobicContact CG-CG2 4Å; L575-W601 HydrophobicContact CB-CE3 4.24Å; L575-W601 HydrophobicContact CD1-CB 4.22Å; L575-W601 HydrophobicContact CD1-CE3 4.24Å
576	C	84.7	Confident	93.1	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.02	9%	0.09	C	C	.	.	H	α-helix	trans	-59.5	-19.1	173.6	-87.8	0	0	0	0	114.6	R572 N573 A574	R572-C576 WeakPolarHBondContact O-CB 3.42Å; R572-C576 PolarHBondContact O-N 3.26Å; N573-C576 WeakPolarHBondContact O-CB 3.33Å; N573-C576 PolarHBondContact O-N 3.16Å; A574-C576 VanDerWaalsContact C-N 3.3Å; A574-C576 PolarHBondContact O-N 2.96Å
577	H	83.9	Confident	93	Very high	14 Å²	14	19.4 Å²	19.4	7%	0.065	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	23.7	173.7	-60.7	-47.4	0	0	0	113.1	S544 N573 A574 L575 C579	S544-H577 PolarHBondContact OG-O 3.29Å; N573-H577 PolarHBondContact O-CD2 2.98Å; N573-H577 PolarHBondContact O-N 2.87Å; A574-H577 CarbonylContact O-C 3.52Å; A574-H577 PolarHBondContact O-N 3.5Å; L575-H577 PolarHBondContact O-N 2.94Å; L575-H577 VanDerWaalsContact O-N 3.12Å; H577-C579 PolarHBondContact O-N 2.96Å; H577-C579 VanDerWaalsContact O-N 3.14Å; H577-C579 PolarHBondContact O-SG 3.17Å
578	N	84.9	Confident	93	Very high	77 Å²	77	19.5 Å²	19.5	41%	0.412	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	26.4	177.6	-161.6	20	0	0	0	113.3	T542 K548 L575	T542-N578 HydrophobicContact CG2-CB 4.28Å; K548-N578 WeakPolarHBondContact CE-ND2 3.43Å; L575-N578 PolarHBondContact O-N 2.85Å
579	C	90.6	Very high	92.9	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.034	10%	0.1	C	C	.	.			trans	-89.7	143.5	175.4	-60	0	0	0	0	110	F549 L551 A574 H577	F549-C579 CarbonylContact O-C 3.54Å; F549-C579 VanDerWaalsContact O-CA 3.26Å; F549-C579 WeakPolarHBondContact O-CA 3.34Å; F549-C579 WeakPolarHBondContact O-CB 3.45Å; L551-C579 HydrophobicContact CD1-CB 4.11Å; L551-C579 HydrophobicContact CG-CB 4.24Å; A574-C579 HydrophobicContact CB-CB 4.41Å; A574-C579 WeakPolarHBondContact O-CB 3.09Å; A574-C579 PolarHBondContact O-N 3.37Å; H577-C579 PolarHBondContact O-N 2.96Å; H577-C579 VanDerWaalsContact O-N 3.14Å; H577-C579 PolarHBondContact O-SG 3.17Å
580	R	94.4	Very high	92.9	Very high	104 Å²	104	21.5 Å²	21.5	39%	0.392	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	135.2	168.7	-175.8	178.4	-175.3	-136.8	-1.2	108.5	F549 T550 L551 E598	F549-R580 PolarHBondContact O-N 3.14Å; T550-R580 CarbonylContact C-O 3.47Å; T550-R580 WeakPolarHBondContact CA-O 3.45Å; T550-R580 HydrophobicContact CG2-CB 4.42Å; T550-R580 HydrophobicContact CG2-CG 4.39Å; L551-R580 PolarHBondContact N-O 2.94Å; R580-E598 WeakPolarHBondContact CD-OE1 3.4Å; R580-E598 VanDerWaalsContact CG-OE1 3.27Å; R580-E598 WeakPolarHBondContact CG-OE1 3.25Å; R580-E598 IonicContact CZ-OE1 2.7Å; R580-E598 IonicContact CZ-OE2 3.55Å; R580-E598 IonicContact NE-OE1 2.77Å; R580-E598 PolarHBondContact NE-OE1 2.96Å; R580-E598 IonicContact NE-OE2 2.72Å; R580-E598 PolarHBondContact NE-OE2 3.4Å; R580-E598 IonicContact NH2-OE1 2.62Å; R580-E598 IonicContact NH2-OE2 3.43Å; R580-E598 PolarHBondContact NH2-OE2 3.1Å
581	V	96.7	Very high	92.9	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.4	-174.8	-168.4	0	0	0	0	111.6	L551 F570 V571 A574 L575 M599	L551-V581 CarbonylContact O-C 3.57Å; L551-V581 WeakPolarHBondContact O-CA 3.44Å; F570-V581 HydrophobicContact CD1-CG1 4.18Å; F570-V581 HydrophobicContact CE1-CG1 3.81Å; V571-V581 HydrophobicContact CB-CG1 4.49Å; V571-V581 HydrophobicContact CG2-CG1 3.87Å; A574-V581 HydrophobicContact CB-CG2 3.53Å; L575-V581 HydrophobicContact CD2-CG2 4.07Å; L575-V581 HydrophobicContact CG-CG2 4Å; V581-M599 HydrophobicContact CB-CB 4.33Å; V581-M599 HydrophobicContact CG1-CB 4.25Å; V581-M599 PolarHBondContact O-N 3.43Å
582	L	97.7	Very high	92.9	Very high	4 Å²	4	23 Å²	23	2%	0.021	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.9	179.5	-59.5	-177.4	0	0	0	111	T550 L551 A552 V553 V596 Q597 E598 F636 I638	T550-L582 HydrophobicContact CG2-CD1 3.63Å; T550-L582 HydrophobicContact CG2-CG 3.94Å; L551-L582 PolarHBondContact O-N 2.64Å; A552-L582 CarbonylContact C-O 3.52Å; A552-L582 VanDerWaalsContact CA-O 3.27Å; A552-L582 WeakPolarHBondContact CA-O 3.27Å; A552-L582 HydrophobicContact CB-CB 4.28Å; V553-L582 PolarHBondContact N-O 2.8Å; L582-V596 HydrophobicContact CB-CG1 3.76Å; L582-V596 HydrophobicContact CD1-CG1 4.15Å; L582-V596 HydrophobicContact CD2-CG1 4.43Å; L582-V596 HydrophobicContact CG-CG1 4.34Å; L582-Q597 CarbonylContact C-O 3.45Å; L582-Q597 WeakPolarHBondContact CA-O 3.47Å; L582-E598 HydrophobicContact CD2-CB 4.11Å; L582-E598 HydrophobicContact CD2-CG 4.36Å; L582-F636 HydrophobicContact CD1-CB 3.92Å; L582-F636 HydrophobicContact CD1-CD1 4.49Å; L582-F636 HydrophobicContact CD1-CG 4.48Å; L582-I638 HydrophobicContact CD1-CG1 4.13Å
583	G	97.5	Very high	93.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	115.8	170.9	0	0	0	0	0	110.1	Q597 M599	G583-Q597 PolarHBondContact N-O 3.37Å; G583-Q597 PolarHBondContact O-N 2.79Å; G583-M599 VanDerWaalsContact N-CG 3.33Å
584	I	97.4	Very high	93.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	124.6	175.8	-52.9	167.2	0	0	0	107.7	A552 V553 M554 S587 L591 V596 L641	A552-I584 HydrophobicContact CB-CD1 4.08Å; A552-I584 HydrophobicContact CB-CG1 4.46Å; V553-I584 PolarHBondContact O-N 3.48Å; M554-I584 HydrophobicContact CB-CB 3.87Å; M554-I584 HydrophobicContact CB-CD1 4.25Å; M554-I584 HydrophobicContact CB-CG1 4.5Å; M554-I584 HydrophobicContact CB-CG2 4.48Å; M554-I584 HydrophobicContact CE-CD1 4.45Å; M554-I584 HydrophobicContact CG-CD1 4.44Å; M554-I584 HydrophobicContact SD-CB 4.47Å; M554-I584 HydrophobicContact SD-CD1 3.95Å; M554-I584 HydrophobicContact SD-CG2 4.29Å; I584-S587 WeakPolarHBondContact CG2-O 3.47Å; I584-L591 HydrophobicContact CD1-CD1 4.1Å; I584-L591 HydrophobicContact CD1-CD2 4.37Å; I584-L591 HydrophobicContact CG1-CD1 4.48Å; I584-L591 HydrophobicContact CG2-CB 3.77Å; I584-L591 HydrophobicContact CG2-CD1 4.37Å; I584-V596 HydrophobicContact CG1-CG1 4.36Å; I584-V596 HydrophobicContact CG1-CG2 4.16Å; I584-V596 HydrophobicContact CG2-CG2 4.43Å; I584-L641 HydrophobicContact CD1-CD1 4.23Å
585	K	96.6	Very high	93.4	Very high	80 Å²	80	32.3 Å²	32.3	35%	0.348	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	151.7	176.8	-61.5	-176	-178.2	178.9	0	110.8	S587 G590 S595 L615	K585-S587 PolarHBondContact O-N 3.36Å; K585-S587 VanDerWaalsContact O-N 3.11Å; K585-G590 WeakPolarHBondContact O-CA 3.5Å; K585-S595 PolarHBondContact N-O 3.12Å; K585-L615 CarbonylContact C-O 3.6Å; K585-L615 WeakPolarHBondContact CA-O 3.44Å
586	D	95.2	Very high	93.6	Very high	62 Å²	62	32.4 Å²	32.4	33%	0.332	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	38.3	173.7	-62.8	-53.5	0	0	0	115.1	E589 G590 L615 Q618	D586-E589 WeakPolarHBondContact O-CB 3.32Å; D586-E589 PolarHBondContact O-N 3.09Å; D586-G590 PolarHBondContact O-N 3.34Å; D586-L615 PolarHBondContact N-O 2.96Å; D586-Q618 HydrophobicContact CB-CG 4.26Å
587	S	95.6	Very high	94.1	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.007	18%	0.179	C	C	.	.	H	α-helix	trans	55.5	-143.2	175.7	-43.6	0	0	0	0	112.5	N555 I584 K585 E589 G590 L591 Q618	N555-S587 WeakPolarHBondContact O-CB 3.36Å; N555-S587 PolarHBondContact O-OG 2.9Å; I584-S587 WeakPolarHBondContact CG2-O 3.47Å; K585-S587 PolarHBondContact O-N 3.36Å; K585-S587 VanDerWaalsContact O-N 3.11Å; S587-E589 PolarHBondContact O-N 2.99Å; S587-G590 PolarHBondContact O-N 3.21Å; S587-L591 PolarHBondContact O-N 3.32Å; S587-L591 VanDerWaalsContact O-N 3.09Å; S587-Q618 PolarHBondContact OG-N 2.76Å; S587-Q618 PolarHBondContact OG-O 3.15Å
588	F	96	Very high	94.7	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-60.9	-27.2	175.6	-64.8	-81.9	0	0	0	113.4	M554 V556 L591 I592 S620 P622 V629 L643 S652 M656	M554-F588 HydrophobicContact CE-CD1 3.87Å; M554-F588 HydrophobicContact CE-CD2 4.27Å; M554-F588 HydrophobicContact CE-CE1 3.35Å; M554-F588 HydrophobicContact CE-CE2 3.8Å; M554-F588 HydrophobicContact CE-CG 4.31Å; M554-F588 HydrophobicContact CE-CZ 3.31Å; V556-F588 HydrophobicContact CG1-CD2 4.45Å; V556-F588 HydrophobicContact CG1-CE2 4.22Å; V556-F588 HydrophobicContact CG2-CD2 4.48Å; V556-F588 HydrophobicContact CG2-CE2 4.04Å; F588-L591 HydrophobicContact CD1-CD2 4.4Å; F588-L591 PolarHBondContact O-N 3Å; F588-I592 WeakPolarHBondContact O-CB 3.42Å; F588-I592 WeakPolarHBondContact O-CD1 2.99Å; F588-I592 WeakPolarHBondContact O-CG1 3.25Å; F588-I592 PolarHBondContact O-N 3.11Å; F588-S620 VanDerWaalsContact CD2-O 3.31Å; F588-S620 WeakPolarHBondContact CD2-O 3.27Å; F588-P622 HydrophobicContact CD1-CB 3.82Å; F588-P622 HydrophobicContact CE1-CB 3.64Å; F588-P622 HydrophobicContact CE1-CG 4.11Å; F588-P622 HydrophobicContact CG-CB 4.44Å; F588-P622 HydrophobicContact CZ-CB 4.12Å; F588-P622 HydrophobicContact CZ-CG 4.08Å; F588-V629 HydrophobicContact CD1-CG1 4.39Å; F588-V629 HydrophobicContact CD1-CG2 4.08Å; F588-L643 HydrophobicContact CZ-CD2 4.29Å; F588-S652 WeakPolarHBondContact CE2-OG 3.3Å; F588-M656 HydrophobicContact CE1-CE 4.36Å; F588-M656 HydrophobicContact CE1-SD 4.09Å; F588-M656 HydrophobicContact CZ-CE 4.06Å; F588-M656 HydrophobicContact CZ-SD 4.36Å
589	E	94.6	Very high	95.2	Very high	50 Å²	50	35.8 Å²	35.8	23%	0.234	18%	0.177	C	C	.	.	H	α-helix	trans	-67.3	-42.3	178.6	-56.9	-143.9	156.8	0	0	112.5	D586 S587 K593 Q618 S620 K624	D586-E589 WeakPolarHBondContact O-CB 3.32Å; D586-E589 PolarHBondContact O-N 3.09Å; S587-E589 PolarHBondContact O-N 2.99Å; E589-K593 WeakPolarHBondContact O-CD 3.49Å; E589-K593 VanDerWaalsContact O-CG 3.24Å; E589-K593 WeakPolarHBondContact O-CG 3.38Å; E589-K593 PolarHBondContact O-N 2.75Å; E589-K593 IonicContact OE2-NZ 4Å; E589-Q618 HydrophobicContact CG-CB 4.45Å; E589-Q618 HydrophobicContact CG-CG 4.42Å; E589-S620 WeakPolarHBondContact CG-OG 3.04Å; E589-K624 IonicContact OE1-NZ 3.2Å; E589-K624 PolarHBondContact OE1-NZ 2.82Å; E589-K624 IonicContact OE2-NZ 2.75Å
590	G	93.8	Very high	95.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-73.1	-33	173.1	0	0	0	0	0	112.3	K585 D586 S587 I592 K593 G594 S595	K585-G590 WeakPolarHBondContact O-CA 3.5Å; D586-G590 PolarHBondContact O-N 3.34Å; S587-G590 PolarHBondContact O-N 3.21Å; G590-I592 PolarHBondContact O-N 2.92Å; G590-K593 CarbonylContact O-C 3.21Å; G590-K593 PolarHBondContact O-N 3.17Å; G590-G594 PolarHBondContact O-N 2.8Å; G590-S595 PolarHBondContact O-N 2.96Å
591	L	95	Very high	94.9	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-57.6	-49.8	171.7	-174.3	56.2	0	0	0	111.8	I584 S587 F588 K593 G594 V596 V629 Q632	I584-L591 HydrophobicContact CD1-CD1 4.1Å; I584-L591 HydrophobicContact CD1-CD2 4.37Å; I584-L591 HydrophobicContact CG1-CD1 4.48Å; I584-L591 HydrophobicContact CG2-CB 3.77Å; I584-L591 HydrophobicContact CG2-CD1 4.37Å; S587-L591 PolarHBondContact O-N 3.32Å; S587-L591 VanDerWaalsContact O-N 3.09Å; F588-L591 HydrophobicContact CD1-CD2 4.4Å; F588-L591 PolarHBondContact O-N 3Å; L591-K593 VanDerWaalsContact C-N 3.27Å; L591-K593 PolarHBondContact O-N 3.2Å; L591-G594 PolarHBondContact O-N 2.72Å; L591-V596 HydrophobicContact CD1-CG2 4.13Å; L591-V629 HydrophobicContact CD2-CG1 3.96Å; L591-V629 HydrophobicContact CD2-CG2 4.42Å; L591-Q632 HydrophobicContact CD1-CB 3.82Å; L591-Q632 HydrophobicContact CG-CB 4.15Å; L591-Q632 VanDerWaalsContact O-CG 3.26Å; L591-Q632 WeakPolarHBondContact O-CG 3.3Å; L591-Q632 PolarHBondContact O-NE2 3.26Å
592	I	94.6	Very high	94.3	Very high	32 Å²	32	39.2 Å²	39.2	16%	0.164	20%	0.199	C	C	.	.	H	α-helix	trans	-53.8	-45.6	175.7	-73.1	163.2	0	0	0	110.5	F588 G590 G594 D625 K628 V629 Q632	F588-I592 WeakPolarHBondContact O-CB 3.42Å; F588-I592 WeakPolarHBondContact O-CD1 2.99Å; F588-I592 WeakPolarHBondContact O-CG1 3.25Å; F588-I592 PolarHBondContact O-N 3.11Å; G590-I592 PolarHBondContact O-N 2.92Å; I592-G594 VanDerWaalsContact C-N 3.27Å; I592-G594 PolarHBondContact O-N 2.87Å; I592-D625 HydrophobicContact CD1-CB 3.83Å; I592-D625 HydrophobicContact CG1-CB 4.22Å; I592-K628 HydrophobicContact CB-CG 4.33Å; I592-K628 HydrophobicContact CG1-CB 4.47Å; I592-K628 HydrophobicContact CG1-CG 4.49Å; I592-K628 HydrophobicContact CG2-CB 4.46Å; I592-K628 HydrophobicContact CG2-CG 3.97Å; I592-K628 WeakPolarHBondContact O-CE 3.41Å; I592-V629 HydrophobicContact CD1-CG2 4.31Å; I592-V629 HydrophobicContact CG1-CG2 3.86Å; I592-Q632 PolarHBondContact O-NE2 3.35Å; I592-Q632 VanDerWaalsContact O-NE2 3.07Å
593	K	94.1	Very high	93.9	Very high	141 Å²	141	41.9 Å²	41.9	61%	0.613	21%	0.213	S	C	*	.	H	α-helix	trans	-72	-10.5	176.7	-65.8	165.7	-169.2	165.3	0	114.6	E589 G590 L591	E589-K593 WeakPolarHBondContact O-CD 3.49Å; E589-K593 VanDerWaalsContact O-CG 3.24Å; E589-K593 WeakPolarHBondContact O-CG 3.38Å; E589-K593 PolarHBondContact O-N 2.75Å; E589-K593 IonicContact OE2-NZ 4Å; G590-K593 CarbonylContact O-C 3.21Å; G590-K593 PolarHBondContact O-N 3.17Å; L591-K593 VanDerWaalsContact C-N 3.27Å; L591-K593 PolarHBondContact O-N 3.2Å
594	G	92.8	Very high	93.6	Very high	26 Å²	26	41.9 Å²	41.9	27%	0.268	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	18	-175	0	0	0	0	0	114.6	G590 L591 I592 V596	G590-G594 PolarHBondContact O-N 2.8Å; L591-G594 PolarHBondContact O-N 2.72Å; I592-G594 VanDerWaalsContact C-N 3.27Å; I592-G594 PolarHBondContact O-N 2.87Å; G594-V596 PolarHBondContact O-N 3.13Å
595	S	95	Very high	93	Very high	49 Å²	49	43.3 Å²	43.3	34%	0.343	22%	0.222	S	C	.	.			trans	-77.4	66.1	-179.8	-54.4	0	0	0	0	112.1	K585 G590	K585-S595 PolarHBondContact N-O 3.12Å; G590-S595 PolarHBondContact O-N 2.96Å
596	V	95.3	Very high	92.5	Very high	29 Å²	29	41.5 Å²	41.5	18%	0.176	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.5	-179.4	-174.2	0	0	0	0	109.6	L582 I584 L591 G594 F636	L582-V596 HydrophobicContact CB-CG1 3.76Å; L582-V596 HydrophobicContact CD1-CG1 4.15Å; L582-V596 HydrophobicContact CD2-CG1 4.43Å; L582-V596 HydrophobicContact CG-CG1 4.34Å; I584-V596 HydrophobicContact CG1-CG1 4.36Å; I584-V596 HydrophobicContact CG1-CG2 4.16Å; I584-V596 HydrophobicContact CG2-CG2 4.43Å; L591-V596 HydrophobicContact CD1-CG2 4.13Å; G594-V596 PolarHBondContact O-N 3.13Å; V596-F636 HydrophobicContact CB-CD1 4.31Å; V596-F636 HydrophobicContact CB-CD2 4.4Å; V596-F636 HydrophobicContact CB-CE1 3.89Å; V596-F636 HydrophobicContact CB-CE2 4.01Å; V596-F636 HydrophobicContact CB-CZ 3.74Å; V596-F636 HydrophobicContact CG1-CD1 4.35Å; V596-F636 HydrophobicContact CG1-CE1 4.39Å; V596-F636 HydrophobicContact CG2-CD2 3.89Å; V596-F636 HydrophobicContact CG2-CE1 4.32Å; V596-F636 HydrophobicContact CG2-CE2 3.5Å; V596-F636 HydrophobicContact CG2-CG 4.47Å; V596-F636 HydrophobicContact CG2-CZ 3.75Å
597	Q	95.2	Very high	92.3	Very high	73 Å²	73	40.1 Å²	40.1	34%	0.341	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	139.8	178.9	173.6	172	-16.4	0	0	110.1	L582 G583 M599	L582-Q597 CarbonylContact C-O 3.45Å; L582-Q597 WeakPolarHBondContact CA-O 3.47Å; G583-Q597 PolarHBondContact N-O 3.37Å; G583-Q597 PolarHBondContact O-N 2.79Å; Q597-M599 HydrophobicContact CG-SD 4.24Å
598	E	96.4	Very high	92	Very high	87 Å²	87	40.2 Å²	40.2	41%	0.407	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	129.5	169.5	-173.3	154	-167.3	0	0	110.1	R580 L582	R580-E598 WeakPolarHBondContact CD-OE1 3.4Å; R580-E598 VanDerWaalsContact CG-OE1 3.27Å; R580-E598 WeakPolarHBondContact CG-OE1 3.25Å; R580-E598 IonicContact CZ-OE1 2.7Å; R580-E598 IonicContact CZ-OE2 3.55Å; R580-E598 IonicContact NE-OE1 2.77Å; R580-E598 PolarHBondContact NE-OE1 2.96Å; R580-E598 IonicContact NE-OE2 2.72Å; R580-E598 PolarHBondContact NE-OE2 3.4Å; R580-E598 IonicContact NH2-OE1 2.62Å; R580-E598 IonicContact NH2-OE2 3.43Å; R580-E598 PolarHBondContact NH2-OE2 3.1Å; L582-E598 HydrophobicContact CD2-CB 4.11Å; L582-E598 HydrophobicContact CD2-CG 4.36Å
599	M	95.5	Very high	91.7	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.025	21%	0.21	C	C	.	.			trans	-105	121.8	-169.4	-60	-63.7	-62.2	0	0	111	V571 V581 G583 Q597 D603 V604 W607	V571-M599 HydrophobicContact CG1-CB 4Å; V571-M599 HydrophobicContact CG2-CB 3.94Å; V571-M599 HydrophobicContact CG2-CG 4.31Å; V581-M599 HydrophobicContact CB-CB 4.33Å; V581-M599 HydrophobicContact CG1-CB 4.25Å; V581-M599 PolarHBondContact O-N 3.43Å; G583-M599 VanDerWaalsContact N-CG 3.33Å; Q597-M599 HydrophobicContact CG-SD 4.24Å; M599-D603 HydrophobicContact CE-CB 4.18Å; M599-V604 HydrophobicContact CE-CG1 3.62Å; M599-W607 HydrophobicContact CE-CH2 3.95Å; M599-W607 HydrophobicContact CE-CZ2 4.35Å
600	N	91.6	Very high	91.6	Very high	88 Å²	88	43.2 Å²	43.2	47%	0.471	22%	0.217	S	C	.	.			trans	-101.4	168	178.9	-55.3	-84	0	0	0	111.4	H602 D603	N600-H602 PolarHBondContact O-N 3.28Å; N600-D603 WeakPolarHBondContact CB-OD2 3.26Å; N600-D603 PolarHBondContact N-OD2 3.12Å; N600-D603 PolarHBondContact ND2-OD2 3.01Å; N600-D603 PolarHBondContact O-N 3.01Å
601	W	86.1	Confident	91.5	Very high	21 Å²	21	43.9 Å²	43.9	8%	0.08	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-38.7	-177.9	-170.7	-89.7	0	0	0	113.8	K533 P536 R572 L575	K533-W601 WeakPolarHBondContact O-CZ2 3.36Å; P536-W601 HydrophobicContact CG-CE3 4.21Å; P536-W601 HydrophobicContact CG-CZ3 4.46Å; R572-W601 HydrophobicContact CB-CE3 4.21Å; R572-W601 HydrophobicContact CB-CH2 3.78Å; R572-W601 HydrophobicContact CB-CZ2 4.22Å; R572-W601 HydrophobicContact CB-CZ3 3.78Å; R572-W601 HydrophobicContact CG-CD2 4.01Å; R572-W601 HydrophobicContact CG-CE3 4.02Å; R572-W601 HydrophobicContact CG-CH2 4.01Å; R572-W601 HydrophobicContact CG-CZ2 3.97Å; R572-W601 HydrophobicContact CG-CZ3 4.04Å; R572-W601 VanDerWaalsContact O-CZ3 3.28Å; R572-W601 WeakPolarHBondContact O-CZ3 3.42Å; L575-W601 HydrophobicContact CB-CE3 4.24Å; L575-W601 HydrophobicContact CD1-CB 4.22Å; L575-W601 HydrophobicContact CD1-CE3 4.24Å
602	H	85.4	Confident	91.4	Very high	74 Å²	74	45.1 Å²	45.1	34%	0.343	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-25.4	-174.6	-57.9	-68.7	0	0	0	113.2	H396 N600 V604 T605	H396-H602 WeakPolarHBondContact CB-CE1 3.31Å; H396-H602 AromaticContact CD2-CE1 3.88Å; H396-H602 AromaticContact CD2-NE2 3.51Å; H396-H602 AromaticContact CG-CE1 3.78Å; H396-H602 AromaticContact CG-NE2 3.87Å; N600-H602 PolarHBondContact O-N 3.28Å; H602-V604 PolarHBondContact O-N 3.43Å; H602-V604 VanDerWaalsContact O-N 3.13Å; H602-T605 WeakPolarHBondContact CA-OG1 3.45Å; H602-T605 VanDerWaalsContact O-CB 3.31Å; H602-T605 WeakPolarHBondContact O-CB 3.45Å; H602-T605 PolarHBondContact O-N 3.01Å; H602-T605 PolarHBondContact O-OG1 3.47Å
603	D	89	Confident	91.5	Very high	60 Å²	60	44.8 Å²	44.8	32%	0.321	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.6	-176.2	-62.3	-21.5	0	0	0	112.6	M599 N600 W607	M599-D603 HydrophobicContact CE-CB 4.18Å; N600-D603 WeakPolarHBondContact CB-OD2 3.26Å; N600-D603 PolarHBondContact N-OD2 3.12Å; N600-D603 PolarHBondContact ND2-OD2 3.01Å; N600-D603 PolarHBondContact O-N 3.01Å; D603-W607 VanDerWaalsContact O-CE2 3.28Å; D603-W607 WeakPolarHBondContact O-CZ2 3.25Å; D603-W607 PolarHBondContact O-NE1 3.23Å
604	V	90	Very high	91.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	12.9	-179.9	-62.1	0	0	0	0	114.5	V567 R568 V571 R572 M599 H602 W607	V567-V604 HydrophobicContact CG1-CG1 4.46Å; R568-V604 HydrophobicContact CB-CB 4.02Å; R568-V604 HydrophobicContact CB-CG2 4.31Å; R568-V604 WeakPolarHBondContact CD-O 3.45Å; R568-V604 HydrophobicContact CG-CB 4.14Å; R568-V604 HydrophobicContact CG-CG2 4.02Å; R568-V604 WeakPolarHBondContact CG-O 3.22Å; V571-V604 HydrophobicContact CB-CG1 4.05Å; V571-V604 HydrophobicContact CB-CG2 4.1Å; V571-V604 HydrophobicContact CG1-CG1 4.15Å; V571-V604 HydrophobicContact CG1-CG2 3.95Å; V571-V604 HydrophobicContact CG2-CG1 3.95Å; R572-V604 HydrophobicContact CG-CG2 4.14Å; M599-V604 HydrophobicContact CE-CG1 3.62Å; H602-V604 PolarHBondContact O-N 3.43Å; H602-V604 VanDerWaalsContact O-N 3.13Å; V604-W607 HydrophobicContact CB-CD2 4.15Å; V604-W607 HydrophobicContact CB-CE3 4.49Å; V604-W607 HydrophobicContact CB-CG 4.31Å; V604-W607 HydrophobicContact CG1-CD2 4.16Å; V604-W607 HydrophobicContact CG1-CE3 4.14Å; V604-W607 HydrophobicContact CG1-CH2 4.36Å; V604-W607 HydrophobicContact CG1-CZ2 4.36Å; V604-W607 HydrophobicContact CG1-CZ3 4.25Å; V604-W607 WeakPolarHBondContact O-CB 3.36Å
605	T	86.2	Confident	91.7	Very high	29 Å²	29	42 Å²	42	18%	0.178	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	139.7	177.9	-52.9	0	0	0	0	110.5	R572 H602 W607	R572-T605 PolarHBondContact NH2-OG1 3.17Å; H602-T605 WeakPolarHBondContact CA-OG1 3.45Å; H602-T605 VanDerWaalsContact O-CB 3.31Å; H602-T605 WeakPolarHBondContact O-CB 3.45Å; H602-T605 PolarHBondContact O-N 3.01Å; H602-T605 PolarHBondContact O-OG1 3.47Å; T605-W607 PolarHBondContact O-N 3.26Å
606	N	85.3	Confident	91.7	Very high	42 Å²	42	40.5 Å²	40.5	23%	0.225	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	14.8	179.5	-64.9	-31.2	0	0	0	114.5	Q336 E367 M609 Y610	Q336-N606 PolarHBondContact NE2-OD1 3.27Å; E367-N606 WeakPolarHBondContact OE1-CA 3.41Å; E367-N606 PolarHBondContact OE1-N 2.74Å; E367-N606 VanDerWaalsContact OE1-N 3.17Å; E367-N606 PolarHBondContact OE2-N 2.6Å; N606-M609 HydrophobicContact CB-CE 3.53Å; N606-M609 WeakPolarHBondContact O-CE 3.22Å; N606-Y610 VanDerWaalsContact O-CD2 3.28Å; N606-Y610 WeakPolarHBondContact O-CD2 3.36Å; N606-Y610 WeakPolarHBondContact O-CE2 3.41Å
607	W	91.1	Very high	91.7	Very high	34 Å²	34	40.1 Å²	40.1	13%	0.129	21%	0.209	C	C	.	.			trans	-76.6	-22.8	178.5	-80.2	34.4	0	0	0	113.1	E367 N564 V567 R568 M599 D603 V604 T605 M609 F614 L615	E367-W607 PolarHBondContact OE1-N 3.32Å; N564-W607 HydrophobicContact CB-CB 4.19Å; N564-W607 HydrophobicContact CB-CE3 4.35Å; N564-W607 WeakPolarHBondContact CB-O 3.48Å; V567-W607 HydrophobicContact CB-CE3 4.27Å; V567-W607 HydrophobicContact CB-CZ3 4.13Å; V567-W607 HydrophobicContact CG1-CE3 4.13Å; V567-W607 HydrophobicContact CG1-CZ3 3.64Å; R568-W607 HydrophobicContact CB-CB 4.19Å; M599-W607 HydrophobicContact CE-CH2 3.95Å; M599-W607 HydrophobicContact CE-CZ2 4.35Å; D603-W607 VanDerWaalsContact O-CE2 3.28Å; D603-W607 WeakPolarHBondContact O-CZ2 3.25Å; D603-W607 PolarHBondContact O-NE1 3.23Å; V604-W607 HydrophobicContact CB-CD2 4.15Å; V604-W607 HydrophobicContact CB-CE3 4.49Å; V604-W607 HydrophobicContact CB-CG 4.31Å; V604-W607 HydrophobicContact CG1-CD2 4.16Å; V604-W607 HydrophobicContact CG1-CE3 4.14Å; V604-W607 HydrophobicContact CG1-CH2 4.36Å; V604-W607 HydrophobicContact CG1-CZ2 4.36Å; V604-W607 HydrophobicContact CG1-CZ3 4.25Å; V604-W607 WeakPolarHBondContact O-CB 3.36Å; T605-W607 PolarHBondContact O-N 3.26Å; W607-M609 VanDerWaalsContact C-N 3.29Å; W607-M609 PolarHBondContact O-N 2.87Å; W607-F614 AromaticContact CD1-CD2 3.91Å; W607-F614 AromaticContact CD2-CD2 3.6Å; W607-F614 HydrophobicContact CD2-CD2 3.6Å; W607-F614 HydrophobicContact CD2-CE2 4.36Å; W607-F614 AromaticContact CE2-CD2 3.66Å; W607-F614 HydrophobicContact CE3-CB 4.35Å; W607-F614 HydrophobicContact CE3-CD2 4.07Å; W607-F614 AromaticContact CG-CD2 3.81Å; W607-F614 HydrophobicContact CG-CD2 3.81Å; W607-F614 HydrophobicContact CG-CE2 4.08Å; W607-F614 HydrophobicContact CH2-CB 3.86Å; W607-F614 HydrophobicContact CZ2-CB 4.04Å; W607-F614 HydrophobicContact CZ2-CD2 4.21Å; W607-F614 HydrophobicContact CZ3-CB 4Å; W607-F614 AromaticContact NE1-CD2 3.84Å; W607-L615 HydrophobicContact CH2-CD2 4.25Å; W607-L615 HydrophobicContact CH2-CG 4.43Å; W607-L615 HydrophobicContact CZ3-CG 4.37Å
608	S	89.4	Confident	91.7	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.014	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-26.3	-174	78.5	0	0	0	0	114.1	A365 E367 P816 R821	A365-S608 PolarHBondContact O-OG 3.49Å; E367-S608 VanDerWaalsContact CG-OG 3.22Å; E367-S608 WeakPolarHBondContact CG-OG 3.4Å; E367-S608 WeakPolarHBondContact OE1-CB 3.45Å; E367-S608 PolarHBondContact OE1-N 3.13Å; E367-S608 PolarHBondContact OE1-OG 3.15Å; S608-P816 WeakPolarHBondContact O-CG 3.42Å; S608-R821 WeakPolarHBondContact O-CD 3.22Å; S608-R821 WeakPolarHBondContact O-CG 3.13Å
609	M	89.6	Confident	91.5	Very high	15 Å²	15	42.7 Å²	42.7	7%	0.074	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-12.8	-173.5	83	-179.8	102.7	0	0	114.5	Q336 N606 W607 P816	Q336-M609 VanDerWaalsContact CD-CE 3.46Å; Q336-M609 HydrophobicContact CG-CE 4.35Å; Q336-M609 VanDerWaalsContact NE2-CE 3.27Å; N606-M609 HydrophobicContact CB-CE 3.53Å; N606-M609 WeakPolarHBondContact O-CE 3.22Å; W607-M609 VanDerWaalsContact C-N 3.29Å; W607-M609 PolarHBondContact O-N 2.87Å; M609-P816 WeakPolarHBondContact O-CD 3.09Å
610	Y	91.6	Very high	91.4	Very high	100 Å²	100	43.2 Å²	43.2	39%	0.392	22%	0.223	S	C	.	.			trans	-106.3	135.2	-173	-63.5	-69.9	0	0	0	112	N564 N606 F614	N564-Y610 PolarHBondContact ND2-O 3.3Å; N606-Y610 VanDerWaalsContact O-CD2 3.28Å; N606-Y610 WeakPolarHBondContact O-CD2 3.36Å; N606-Y610 WeakPolarHBondContact O-CE2 3.41Å; Y610-F614 AromaticContact CD2-CE2 3.92Å; Y610-F614 HydrophobicContact CD2-CE2 3.92Å; Y610-F614 AromaticContact CD2-CZ 3.64Å; Y610-F614 HydrophobicContact CD2-CZ 3.64Å; Y610-F614 HydrophobicContact CE2-CZ 4.49Å; Y610-F614 HydrophobicContact CG-CE2 4.36Å; Y610-F614 AromaticContact CG-CZ 3.73Å; Y610-F614 HydrophobicContact CG-CZ 3.73Å
611	G	92	Very high	91.5	Very high	14 Å²	14	41 Å²	41	14%	0.144	21%	0.211	C	C	.	.			trans	-71.2	-175	167.2	0	0	0	0	0	113.4	C561 N564 G814	C561-G611 WeakPolarHBondContact SG-CA 3.36Å; N564-G611 PolarHBondContact ND2-O 3.34Å; G611-G814 WeakPolarHBondContact CA-O 3.42Å; G611-G814 PolarHBondContact N-O 2.97Å
612	G	93.3	Very high	91.8	Very high	27 Å²	27	40 Å²	40	28%	0.278	21%	0.207	S	C	.	.	S	Bend	trans	71.8	-153	-178	0	0	0	0	0	113.7	N564	N564-G612 PolarHBondContact ND2-O 3.25Å
613	S	95.7	Very high	92.1	Very high	24 Å²	24	40.2 Å²	40.2	17%	0.168	21%	0.214	C	C	.	.			trans	-142	113.1	-179.3	178.2	0	0	0	0	111.3	N555 N564 L615 G616	N555-S613 PolarHBondContact ND2-OG 3.23Å; N564-S613 WeakPolarHBondContact OD1-CA 3.4Å; S613-L615 VanDerWaalsContact C-N 3.33Å; S613-G616 PolarHBondContact O-N 3.43Å; S613-G616 VanDerWaalsContact O-N 3.12Å; S613-G616 VanDerWaalsContact OG-C 3.28Å; S613-G616 PolarHBondContact OG-N 2.72Å; S613-G616 PolarHBondContact OG-O 2.99Å
614	F	95.6	Very high	92.1	Very high	102 Å²	102	43.7 Å²	43.7	45%	0.447	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-18.5	176.4	-65.2	-24.5	0	0	0	114.1	N564 W607 Y610	N564-F614 PolarHBondContact OD1-N 3.43Å; W607-F614 AromaticContact CD1-CD2 3.91Å; W607-F614 AromaticContact CD2-CD2 3.6Å; W607-F614 HydrophobicContact CD2-CD2 3.6Å; W607-F614 HydrophobicContact CD2-CE2 4.36Å; W607-F614 AromaticContact CE2-CD2 3.66Å; W607-F614 HydrophobicContact CE3-CB 4.35Å; W607-F614 HydrophobicContact CE3-CD2 4.07Å; W607-F614 AromaticContact CG-CD2 3.81Å; W607-F614 HydrophobicContact CG-CD2 3.81Å; W607-F614 HydrophobicContact CG-CE2 4.08Å; W607-F614 HydrophobicContact CH2-CB 3.86Å; W607-F614 HydrophobicContact CZ2-CB 4.04Å; W607-F614 HydrophobicContact CZ2-CD2 4.21Å; W607-F614 HydrophobicContact CZ3-CB 4Å; W607-F614 AromaticContact NE1-CD2 3.84Å; Y610-F614 AromaticContact CD2-CE2 3.92Å; Y610-F614 HydrophobicContact CD2-CE2 3.92Å; Y610-F614 AromaticContact CD2-CZ 3.64Å; Y610-F614 HydrophobicContact CD2-CZ 3.64Å; Y610-F614 HydrophobicContact CE2-CZ 4.49Å; Y610-F614 HydrophobicContact CG-CE2 4.36Å; Y610-F614 AromaticContact CG-CZ 3.73Å; Y610-F614 HydrophobicContact CG-CZ 3.73Å
615	L	95.4	Very high	92.2	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.031	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-4	166.9	-66.3	-179	0	0	0	112.6	V553 V567 K585 D586 W607 S613	V553-L615 HydrophobicContact CG1-CD1 4.41Å; V567-L615 HydrophobicContact CG1-CD1 4.01Å; V567-L615 HydrophobicContact CG2-CD1 3.94Å; K585-L615 CarbonylContact C-O 3.6Å; K585-L615 WeakPolarHBondContact CA-O 3.44Å; D586-L615 PolarHBondContact N-O 2.96Å; W607-L615 HydrophobicContact CH2-CD2 4.25Å; W607-L615 HydrophobicContact CH2-CG 4.43Å; W607-L615 HydrophobicContact CZ3-CG 4.37Å; S613-L615 VanDerWaalsContact C-N 3.33Å
616	G	95.5	Very high	92.6	Very high	19 Å²	19	47.2 Å²	47.2	20%	0.196	24%	0.243	C	C	.	.			trans	72.8	167.7	-162.9	0	0	0	0	0	111.5	S613	S613-G616 PolarHBondContact O-N 3.43Å; S613-G616 VanDerWaalsContact O-N 3.12Å; S613-G616 VanDerWaalsContact OG-C 3.28Å; S613-G616 PolarHBondContact OG-N 2.72Å; S613-G616 PolarHBondContact OG-O 2.99Å
617	T	96.1	Very high	93	Very high	20 Å²	20	50 Å²	50	12%	0.123	26%	0.259	C	S	.	.			trans	-158.6	136.4	173.9	-177.1	0	0	0	0	109.9	V556 G557 P559 M563	V556-T617 PolarHBondContact N-OG1 2.7Å; G557-T617 PolarHBondContact N-OG1 3.18Å; G557-T617 WeakPolarHBondContact O-CG2 3.38Å; G557-T617 PolarHBondContact O-OG1 2.89Å; P559-T617 HydrophobicContact CB-CG2 3.99Å; P559-T617 HydrophobicContact CG-CG2 4.49Å; M563-T617 HydrophobicContact SD-CG2 4.45Å
618	Q	94.7	Very high	93.2	Very high	77 Å²	77	52.5 Å²	52.5	36%	0.36	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-131.9	152.8	-177.2	-59.5	-61.4	-17	0	0	110.1	G557 D586 S587 E589 S620	G557-Q618 PolarHBondContact N-O 2.94Å; D586-Q618 HydrophobicContact CB-CG 4.26Å; S587-Q618 PolarHBondContact OG-N 2.76Å; S587-Q618 PolarHBondContact OG-O 3.15Å; E589-Q618 HydrophobicContact CG-CB 4.45Å; E589-Q618 HydrophobicContact CG-CG 4.42Å; Q618-S620 PolarHBondContact O-N 3.24Å
619	K	93.1	Very high	93.4	Very high	137 Å²	137	52.4 Å²	52.4	60%	0.596	27%	0.27	S	S	*	.			trans	-83.5	8	176.7	-60.6	-177.2	-179.8	179.3	0	113.6	E648	K619-E648 HydrophobicContact CB-CG 4.24Å
620	S	92.2	Very high	93.7	Very high	16 Å²	16	52 Å²	52	11%	0.112	27%	0.268	C	S	.	.			trans	-66.6	131.7	179.9	58.4	0	0	0	0	111.6	F588 E589 Q618	F588-S620 VanDerWaalsContact CD2-O 3.31Å; F588-S620 WeakPolarHBondContact CD2-O 3.27Å; E589-S620 WeakPolarHBondContact CG-OG 3.04Å; Q618-S620 PolarHBondContact O-N 3.24Å
621	L	93.9	Very high	93.9	Very high	41 Å²	41	48.9 Å²	48.9	22%	0.215	26%	0.261	C	S	.	.			trans	-86.7	158.4	170.1	-63.4	177.2	0	0	0	110.9	T623 K624 E648 H651 S652 I655	L621-T623 WeakPolarHBondContact CB-OG1 3.32Å; L621-T623 PolarHBondContact O-N 2.99Å; L621-T623 VanDerWaalsContact O-N 3.11Å; L621-K624 PolarHBondContact O-N 2.77Å; L621-E648 HydrophobicContact CD2-CB 4.27Å; L621-H651 HydrophobicContact CD2-CB 4.37Å; L621-S652 WeakPolarHBondContact CD2-OG 3.45Å; L621-I655 HydrophobicContact CD1-CD1 4.2Å
622	P	92.6	Very high	94	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-59.3	-21.6	175.2	21.5	-32.5	0	0	0	113.4	F588 K624 D625 I626 S652 I655 M656	F588-P622 HydrophobicContact CD1-CB 3.82Å; F588-P622 HydrophobicContact CE1-CB 3.64Å; F588-P622 HydrophobicContact CE1-CG 4.11Å; F588-P622 HydrophobicContact CG-CB 4.44Å; F588-P622 HydrophobicContact CZ-CB 4.12Å; F588-P622 HydrophobicContact CZ-CG 4.08Å; P622-K624 PolarHBondContact O-N 2.73Å; P622-K624 VanDerWaalsContact O-N 3.1Å; P622-D625 CarbonylContact O-C 3.54Å; P622-D625 PolarHBondContact O-N 3.37Å; P622-I626 WeakPolarHBondContact O-CG1 3.15Å; P622-I626 PolarHBondContact O-N 3.31Å; P622-S652 VanDerWaalsContact CD-OG 3.23Å; P622-S652 WeakPolarHBondContact CD-OG 3.31Å; P622-I655 HydrophobicContact CG-CB 4.34Å; P622-I655 HydrophobicContact CG-CG2 4.07Å; P622-M656 HydrophobicContact CB-CG 4.45Å; P622-M656 HydrophobicContact CG-CG 4.21Å
623	T	92.4	Very high	94.1	Very high	78 Å²	78	48.1 Å²	48.1	48%	0.479	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-60.7	-15.8	178.2	49.4	0	0	0	0	114.7	L621 D625 I626 I655	L621-T623 WeakPolarHBondContact CB-OG1 3.32Å; L621-T623 PolarHBondContact O-N 2.99Å; L621-T623 VanDerWaalsContact O-N 3.11Å; T623-D625 VanDerWaalsContact C-N 3.32Å; T623-D625 PolarHBondContact O-N 3.26Å; T623-I626 HydrophobicContact CG2-CD1 4.36Å; T623-I655 HydrophobicContact CG2-CD1 4.07Å; T623-I655 HydrophobicContact CG2-CG2 3.95Å
624	K	89.3	Confident	94	Very high	133 Å²	133	54.3 Å²	54.3	58%	0.578	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-61.3	-38.6	178.9	-166.3	-178.1	-172.6	-174.1	0	112.8	E589 L621 P622	E589-K624 IonicContact OE1-NZ 3.2Å; E589-K624 PolarHBondContact OE1-NZ 2.82Å; E589-K624 IonicContact OE2-NZ 2.75Å; L621-K624 PolarHBondContact O-N 2.77Å; P622-K624 PolarHBondContact O-N 2.73Å; P622-K624 VanDerWaalsContact O-N 3.1Å
625	D	91.4	Very high	94	Very high	68 Å²	68	54.1 Å²	54.1	36%	0.364	27%	0.273	S	S	.	.	S	Bend	trans	-160.7	79.8	175.3	-172	-14.9	0	0	0	109.2	I592 P622 T623 K628 V629	I592-D625 HydrophobicContact CD1-CB 3.83Å; I592-D625 HydrophobicContact CG1-CB 4.22Å; P622-D625 CarbonylContact O-C 3.54Å; P622-D625 PolarHBondContact O-N 3.37Å; T623-D625 VanDerWaalsContact C-N 3.32Å; T623-D625 PolarHBondContact O-N 3.26Å; D625-K628 HydrophobicContact CB-CB 4.14Å; D625-K628 PolarHBondContact O-N 3.24Å; D625-K628 WeakPolarHBondContact OD1-CB 3.24Å; D625-K628 PolarHBondContact OD1-N 2.89Å; D625-K628 WeakPolarHBondContact OD2-CB 3.4Å; D625-V629 WeakPolarHBondContact O-CG2 3.39Å; D625-V629 PolarHBondContact O-N 3.12Å
626	I	94.2	Very high	93.9	Very high	35 Å²	35	56 Å²	56	18%	0.179	28%	0.281	C	S	.	.	H	α-helix	trans	-64.5	-43.6	-173.5	-56.5	173.1	0	0	0	110.6	P622 T623 K628 V629 V630 L659 F663 F666	P622-I626 WeakPolarHBondContact O-CG1 3.15Å; P622-I626 PolarHBondContact O-N 3.31Å; T623-I626 HydrophobicContact CG2-CD1 4.36Å; I626-K628 VanDerWaalsContact C-N 3.31Å; I626-K628 PolarHBondContact O-N 2.96Å; I626-V629 WeakPolarHBondContact O-CB 3.3Å; I626-V629 PolarHBondContact O-N 3.09Å; I626-V630 HydrophobicContact CG2-CG2 4.26Å; I626-V630 WeakPolarHBondContact O-CB 3.4Å; I626-V630 VanDerWaalsContact O-CG2 3.32Å; I626-V630 WeakPolarHBondContact O-CG2 3.49Å; I626-V630 PolarHBondContact O-N 3.26Å; I626-L659 HydrophobicContact CD1-CD1 3.86Å; I626-L659 HydrophobicContact CG2-CD1 4.29Å; I626-F663 HydrophobicContact CG2-CD2 4.1Å; I626-F663 HydrophobicContact CG2-CE2 3.47Å; I626-F663 VanDerWaalsContact CG2-CE2 3.47Å; I626-F663 HydrophobicContact CG2-CZ 3.88Å; I626-F666 HydrophobicContact CG2-CE2 4.07Å; I626-F666 HydrophobicContact CG2-CZ 4.01Å
627	D	94.2	Very high	93.9	Very high	102 Å²	102	62.7 Å²	62.7	55%	0.545	31%	0.305	S	S	.	.	H	α-helix	trans	-64.7	-36.9	-177.4	-61.8	-64.5	0	0	0	111	S631 F663	D627-S631 WeakPolarHBondContact O-CB 3.4Å; D627-S631 PolarHBondContact O-N 3.37Å; D627-F663 WeakPolarHBondContact OD1-CE1 3.48Å; D627-F663 WeakPolarHBondContact OD1-CZ 3.42Å
628	K	94.6	Very high	93.8	Very high	86 Å²	86	62.2 Å²	62.2	37%	0.374	30%	0.302	S	S	.	.	H	α-helix	trans	-68.9	-43.6	171.8	-166.8	71.8	-180	177.1	0	112.3	I592 D625 I626 V630 S631 Q632	I592-K628 HydrophobicContact CB-CG 4.33Å; I592-K628 HydrophobicContact CG1-CB 4.47Å; I592-K628 HydrophobicContact CG1-CG 4.49Å; I592-K628 HydrophobicContact CG2-CB 4.46Å; I592-K628 HydrophobicContact CG2-CG 3.97Å; I592-K628 WeakPolarHBondContact O-CE 3.41Å; D625-K628 HydrophobicContact CB-CB 4.14Å; D625-K628 PolarHBondContact O-N 3.24Å; D625-K628 WeakPolarHBondContact OD1-CB 3.24Å; D625-K628 PolarHBondContact OD1-N 2.89Å; D625-K628 WeakPolarHBondContact OD2-CB 3.4Å; I626-K628 VanDerWaalsContact C-N 3.31Å; I626-K628 PolarHBondContact O-N 2.96Å; K628-V630 VanDerWaalsContact C-N 3.33Å; K628-V630 PolarHBondContact O-N 3.49Å; K628-S631 WeakPolarHBondContact CA-OG 3.25Å; K628-S631 PolarHBondContact O-N 2.92Å; K628-S631 VanDerWaalsContact O-N 3.16Å; K628-S631 PolarHBondContact O-OG 2.98Å; K628-Q632 HydrophobicContact CG-CG 4.39Å; K628-Q632 WeakPolarHBondContact O-CG 3.33Å; K628-Q632 PolarHBondContact O-N 3.09Å
629	V	95.1	Very high	93.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-54.2	-49.8	174.4	166.5	0	0	0	0	110.8	F588 L591 I592 D625 I626 S631 Q632 L633 F666	F588-V629 HydrophobicContact CD1-CG1 4.39Å; F588-V629 HydrophobicContact CD1-CG2 4.08Å; L591-V629 HydrophobicContact CD2-CG1 3.96Å; L591-V629 HydrophobicContact CD2-CG2 4.42Å; I592-V629 HydrophobicContact CD1-CG2 4.31Å; I592-V629 HydrophobicContact CG1-CG2 3.86Å; D625-V629 WeakPolarHBondContact O-CG2 3.39Å; D625-V629 PolarHBondContact O-N 3.12Å; I626-V629 WeakPolarHBondContact O-CB 3.3Å; I626-V629 PolarHBondContact O-N 3.09Å; V629-S631 PolarHBondContact O-N 3.26Å; V629-Q632 PolarHBondContact O-N 2.72Å; V629-Q632 VanDerWaalsContact O-N 3.17Å; V629-L633 HydrophobicContact CG1-CD1 4.37Å; V629-L633 WeakPolarHBondContact O-CG 3.44Å; V629-L633 PolarHBondContact O-N 2.65Å; V629-F666 HydrophobicContact CG1-CE1 4.19Å; V629-F666 HydrophobicContact CG1-CZ 4.45Å
630	V	95	Very high	94	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.03	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-45	176.1	168.1	0	0	0	0	111.5	I626 K628 Q632 L633 R634 F663 E665 F666	I626-V630 HydrophobicContact CG2-CG2 4.26Å; I626-V630 WeakPolarHBondContact O-CB 3.4Å; I626-V630 VanDerWaalsContact O-CG2 3.32Å; I626-V630 WeakPolarHBondContact O-CG2 3.49Å; I626-V630 PolarHBondContact O-N 3.26Å; K628-V630 VanDerWaalsContact C-N 3.33Å; K628-V630 PolarHBondContact O-N 3.49Å; V630-Q632 VanDerWaalsContact C-N 3.26Å; V630-Q632 PolarHBondContact O-N 3.23Å; V630-L633 PolarHBondContact O-N 3.07Å; V630-R634 PolarHBondContact O-N 3.1Å; V630-R634 VanDerWaalsContact O-N 3.12Å; V630-F663 HydrophobicContact CB-CD1 4.29Å; V630-F663 HydrophobicContact CG1-CB 4.43Å; V630-F663 HydrophobicContact CG1-CD1 3.89Å; V630-F663 HydrophobicContact CG1-CG 4.44Å; V630-F663 HydrophobicContact CG2-CB 3.88Å; V630-F663 HydrophobicContact CG2-CD1 3.73Å; V630-F663 HydrophobicContact CG2-CD2 4.15Å; V630-F663 HydrophobicContact CG2-CE1 4.18Å; V630-F663 HydrophobicContact CG2-CG 3.68Å; V630-E665 HydrophobicContact CG1-CB 4.06Å; V630-E665 HydrophobicContact CG1-CG 3.87Å; V630-E665 WeakPolarHBondContact CG1-OE2 2.93Å; V630-F666 HydrophobicContact CG2-CE1 3.93Å; V630-F666 HydrophobicContact CG2-CE2 3.92Å; V630-F666 HydrophobicContact CG2-CZ 3.49Å; V630-F666 VanDerWaalsContact CG2-CZ 3.49Å
631	S	95.3	Very high	94.3	Very high	36 Å²	36	52.6 Å²	52.6	25%	0.252	26%	0.258	S	S	.	.	H	α-helix	trans	-61	-34.8	177.5	79.9	0	0	0	0	112.9	D627 K628 V629 T635	D627-S631 WeakPolarHBondContact O-CB 3.4Å; D627-S631 PolarHBondContact O-N 3.37Å; K628-S631 WeakPolarHBondContact CA-OG 3.25Å; K628-S631 PolarHBondContact O-N 2.92Å; K628-S631 VanDerWaalsContact O-N 3.16Å; K628-S631 PolarHBondContact O-OG 2.98Å; V629-S631 PolarHBondContact O-N 3.26Å; S631-T635 WeakPolarHBondContact O-CB 3.46Å; S631-T635 PolarHBondContact O-N 2.87Å; S631-T635 PolarHBondContact O-OG1 2.92Å
632	Q	95.3	Very high	94.5	Very high	19 Å²	19	50.6 Å²	50.6	9%	0.089	25%	0.248	C	C	.	.	H	α-helix	trans	-78.1	-40.9	-179.2	-64.1	-78.8	29.9	0	0	111.4	L591 I592 K628 V629 V630 R634 T635 F636	L591-Q632 HydrophobicContact CD1-CB 3.82Å; L591-Q632 HydrophobicContact CG-CB 4.15Å; L591-Q632 VanDerWaalsContact O-CG 3.26Å; L591-Q632 WeakPolarHBondContact O-CG 3.3Å; L591-Q632 PolarHBondContact O-NE2 3.26Å; I592-Q632 PolarHBondContact O-NE2 3.35Å; I592-Q632 VanDerWaalsContact O-NE2 3.07Å; K628-Q632 HydrophobicContact CG-CG 4.39Å; K628-Q632 WeakPolarHBondContact O-CG 3.33Å; K628-Q632 PolarHBondContact O-N 3.09Å; V629-Q632 PolarHBondContact O-N 2.72Å; V629-Q632 VanDerWaalsContact O-N 3.17Å; V630-Q632 VanDerWaalsContact C-N 3.26Å; V630-Q632 PolarHBondContact O-N 3.23Å; Q632-R634 PolarHBondContact O-N 3.43Å; Q632-T635 PolarHBondContact O-N 3.36Å; Q632-T635 VanDerWaalsContact O-N 3.16Å; Q632-F636 HydrophobicContact CB-CD2 4.38Å; Q632-F636 HydrophobicContact CB-CE2 4.45Å; Q632-F636 VanDerWaalsContact O-CD2 3.24Å; Q632-F636 WeakPolarHBondContact O-CD2 3.26Å; Q632-F636 PolarHBondContact O-N 2.88Å
633	L	94.5	Very high	94.8	Very high	6 Å²	6	50.6 Å²	50.6	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-53.5	-42.7	170.5	-69.7	177.3	0	0	0	111.3	V629 V630 K637 I638 E665 F666	V629-L633 HydrophobicContact CG1-CD1 4.37Å; V629-L633 WeakPolarHBondContact O-CG 3.44Å; V629-L633 PolarHBondContact O-N 2.65Å; V630-L633 PolarHBondContact O-N 3.07Å; L633-K637 PolarHBondContact O-N 3.31Å; L633-K637 VanDerWaalsContact O-N 3.08Å; L633-I638 HydrophobicContact CD2-CB 4.14Å; L633-I638 HydrophobicContact CD2-CD1 3.78Å; L633-I638 HydrophobicContact CD2-CG2 4.26Å; L633-I638 PolarHBondContact O-N 2.94Å; L633-I638 VanDerWaalsContact O-N 3.12Å; L633-E665 HydrophobicContact CB-CB 4.36Å; L633-E665 HydrophobicContact CD1-CB 4.46Å; L633-F666 HydrophobicContact CD1-CD1 3.74Å; L633-F666 HydrophobicContact CD1-CE1 3.62Å
634	R	94.2	Very high	95	Very high	154 Å²	154	46.9 Å²	46.9	58%	0.581	22%	0.224	S	C	*	.	H	α-helix	trans	-67.1	-46.1	175.2	-164.1	-170.7	-63.4	150.8	0.3	112.8	V630 Q632 K637 E665	V630-R634 PolarHBondContact O-N 3.1Å; V630-R634 VanDerWaalsContact O-N 3.12Å; Q632-R634 PolarHBondContact O-N 3.43Å; R634-K637 PolarHBondContact O-N 2.88Å; R634-E665 HydrophobicContact CB-CG 4.2Å; R634-E665 IonicContact CZ-OE1 2.72Å; R634-E665 IonicContact NE-OE1 3.85Å; R634-E665 PolarHBondContact NE-OE1 3.31Å; R634-E665 IonicContact NH2-OE1 3.51Å; R634-E665 PolarHBondContact NH2-OE1 2.88Å; R634-E665 IonicContact NH2-OE2 2.8Å
635	T	95.1	Very high	95.4	Very high	97 Å²	97	40.6 Å²	40.6	60%	0.595	20%	0.197	S	C	*	.	H	α-helix	trans	-60.5	-45.1	179.3	-68.2	0	0	0	0	112.2	S631 Q632 K637	S631-T635 WeakPolarHBondContact O-CB 3.46Å; S631-T635 PolarHBondContact O-N 2.87Å; S631-T635 PolarHBondContact O-OG1 2.92Å; Q632-T635 PolarHBondContact O-N 3.36Å; Q632-T635 VanDerWaalsContact O-N 3.16Å; T635-K637 VanDerWaalsContact C-N 3.3Å
636	F	94.4	Very high	95.6	Very high	47 Å²	47	37.5 Å²	37.5	21%	0.206	18%	0.182	C	C	.	.	H	α-helix	trans	-82.5	-6	179.4	-68	-67.8	0	0	0	113.9	L582 V596 Q632 I638	L582-F636 HydrophobicContact CD1-CB 3.92Å; L582-F636 HydrophobicContact CD1-CD1 4.49Å; L582-F636 HydrophobicContact CD1-CG 4.48Å; V596-F636 HydrophobicContact CB-CD1 4.31Å; V596-F636 HydrophobicContact CB-CD2 4.4Å; V596-F636 HydrophobicContact CB-CE1 3.89Å; V596-F636 HydrophobicContact CB-CE2 4.01Å; V596-F636 HydrophobicContact CB-CZ 3.74Å; V596-F636 HydrophobicContact CG1-CD1 4.35Å; V596-F636 HydrophobicContact CG1-CE1 4.39Å; V596-F636 HydrophobicContact CG2-CD2 3.89Å; V596-F636 HydrophobicContact CG2-CE1 4.32Å; V596-F636 HydrophobicContact CG2-CE2 3.5Å; V596-F636 HydrophobicContact CG2-CG 4.47Å; V596-F636 HydrophobicContact CG2-CZ 3.75Å; Q632-F636 HydrophobicContact CB-CD2 4.38Å; Q632-F636 HydrophobicContact CB-CE2 4.45Å; Q632-F636 VanDerWaalsContact O-CD2 3.24Å; Q632-F636 WeakPolarHBondContact O-CD2 3.26Å; Q632-F636 PolarHBondContact O-N 2.88Å; F636-I638 HydrophobicContact CB-CD1 3.97Å; F636-I638 HydrophobicContact CB-CG1 3.96Å
637	K	94	Very high	95.7	Very high	158 Å²	158	36 Å²	36	69%	0.687	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	52	-177.9	-57.2	-177.5	-179.4	-178.2	0	112.4	T550 L633 R634 T635 D639	T550-K637 VanDerWaalsContact CB-O 3.26Å; T550-K637 WeakPolarHBondContact CB-O 3.31Å; L633-K637 PolarHBondContact O-N 3.31Å; L633-K637 VanDerWaalsContact O-N 3.08Å; R634-K637 PolarHBondContact O-N 2.88Å; T635-K637 VanDerWaalsContact C-N 3.3Å; K637-D639 PolarHBondContact O-N 2.99Å
638	I	95.5	Very high	95.8	Very high	11 Å²	11	31.7 Å²	31.7	6%	0.056	15%	0.15	C	C	.	.			trans	-76.8	116.1	-177	-68.2	166.2	0	0	0	109.4	A552 L582 L633 F636 G640 I668	A552-I638 HydrophobicContact CB-CD1 3.67Å; A552-I638 HydrophobicContact CB-CG1 3.94Å; A552-I638 HydrophobicContact CB-CG2 3.76Å; L582-I638 HydrophobicContact CD1-CG1 4.13Å; L633-I638 HydrophobicContact CD2-CB 4.14Å; L633-I638 HydrophobicContact CD2-CD1 3.78Å; L633-I638 HydrophobicContact CD2-CG2 4.26Å; L633-I638 PolarHBondContact O-N 2.94Å; L633-I638 VanDerWaalsContact O-N 3.12Å; F636-I638 HydrophobicContact CB-CD1 3.97Å; F636-I638 HydrophobicContact CB-CG1 3.96Å; I638-G640 WeakPolarHBondContact CG2-O 3.41Å; I638-I668 HydrophobicContact CG2-CD1 4.04Å
639	D	95.4	Very high	95.9	Very high	26 Å²	26	27.6 Å²	27.6	14%	0.139	13%	0.133	C	C	.	.	S	Bend	trans	-90.3	-10.7	-179.9	-63.5	-58.1	0	0	0	113	F549 T550 K637 P669 V849	F549-D639 HydrophobicContact CB-CB 4.24Å; F549-D639 HydrophobicContact CD1-CB 4.3Å; T550-D639 PolarHBondContact N-OD2 3.05Å; T550-D639 PolarHBondContact O-N 3.25Å; K637-D639 PolarHBondContact O-N 2.99Å; D639-P669 WeakPolarHBondContact O-CD 3.24Å; D639-V849 HydrophobicContact CB-CB 4.3Å; D639-V849 HydrophobicContact CB-CG2 3.89Å
640	G	96.6	Very high	96	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	147.3	177.4	0	0	0	0	0	112.6	L551 A552 I638 P669	L551-G640 WeakPolarHBondContact CA-O 3.25Å; A552-G640 PolarHBondContact N-O 3.4Å; I638-G640 WeakPolarHBondContact CG2-O 3.41Å; G640-P669 CarbonylContact C-O 3.54Å; G640-P669 VanDerWaalsContact CA-O 3.31Å; G640-P669 WeakPolarHBondContact CA-O 3.48Å
641	L	97.5	Very high	96	Very high	1 Å²	1	30 Å²	30	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.1	-169.3	-174.3	63.5	0	0	0	112.8	A552 M554 I584 L643 M656 I668 P669 M670 V671	A552-L641 HydrophobicContact CB-CD1 3.87Å; M554-L641 HydrophobicContact CE-CD1 4.26Å; M554-L641 HydrophobicContact CE-CD2 4.2Å; I584-L641 HydrophobicContact CD1-CD1 4.23Å; L641-L643 HydrophobicContact CD2-CD2 4.07Å; L641-L643 HydrophobicContact CD2-CG 4.44Å; L641-L643 HydrophobicContact CG-CD2 4.14Å; L641-L643 HydrophobicContact CG-CG 4.3Å; L641-M656 HydrophobicContact CD2-CE 3.82Å; L641-M656 HydrophobicContact CD2-SD 4.21Å; L641-I668 HydrophobicContact CB-CD1 4.29Å; L641-P669 PolarHBondContact N-O 2.78Å; L641-M670 HydrophobicContact CB-CG 4.26Å; L641-M670 WeakPolarHBondContact O-CA 3.32Å; L641-V671 PolarHBondContact O-N 2.87Å
642	F	98.1	Very high	96.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120	177.3	-172.3	-136.9	0	0	0	111.1	A552 V553 M554 F570 I644 V671 L673 A828 A831 L835	A552-F642 PolarHBondContact O-N 3.24Å; V553-F642 WeakPolarHBondContact CA-O 3.27Å; V553-F642 HydrophobicContact CB-CB 4.34Å; V553-F642 HydrophobicContact CB-CD1 4.27Å; V553-F642 HydrophobicContact CG2-CB 4.41Å; V553-F642 HydrophobicContact CG2-CD1 3.66Å; V553-F642 HydrophobicContact CG2-CE1 4.46Å; V553-F642 HydrophobicContact CG2-CG 4.44Å; M554-F642 PolarHBondContact N-O 3.4Å; F570-F642 HydrophobicContact CB-CD1 3.91Å; F570-F642 HydrophobicContact CB-CE1 3.8Å; F570-F642 HydrophobicContact CD1-CD1 4.15Å; F570-F642 HydrophobicContact CD2-CB 4.06Å; F570-F642 AromaticContact CD2-CD1 3.22Å; F570-F642 HydrophobicContact CD2-CD1 3.22Å; F570-F642 AromaticContact CD2-CE1 3.7Å; F570-F642 HydrophobicContact CD2-CE1 3.7Å; F570-F642 AromaticContact CD2-CG 3.74Å; F570-F642 HydrophobicContact CD2-CG 3.74Å; F570-F642 HydrophobicContact CE1-CB 4.45Å; F570-F642 HydrophobicContact CE2-CB 3.55Å; F570-F642 AromaticContact CE2-CD1 3.67Å; F570-F642 HydrophobicContact CE2-CD1 3.67Å; F570-F642 AromaticContact CE2-CG 3.73Å; F570-F642 HydrophobicContact CE2-CG 3.73Å; F570-F642 AromaticContact CG-CD1 3.49Å; F570-F642 HydrophobicContact CG-CD1 3.49Å; F570-F642 VanDerWaalsContact CG-CD1 3.49Å; F570-F642 AromaticContact CG-CE1 3.89Å; F570-F642 HydrophobicContact CG-CE1 3.89Å; F570-F642 HydrophobicContact CG-CG 4.37Å; F570-F642 HydrophobicContact CZ-CB 3.75Å; F570-F642 HydrophobicContact CZ-CD1 4.28Å; F570-F642 HydrophobicContact CZ-CG 4.34Å; F642-I644 HydrophobicContact CD1-CD1 3.9Å; F642-I644 HydrophobicContact CD1-CG1 3.86Å; F642-I644 HydrophobicContact CE1-CD1 3.47Å; F642-I644 VanDerWaalsContact CE1-CD1 3.47Å; F642-I644 HydrophobicContact CE1-CG1 3.53Å; F642-I644 HydrophobicContact CE2-CG1 4.46Å; F642-I644 HydrophobicContact CG-CG1 4.46Å; F642-I644 HydrophobicContact CZ-CD1 4.19Å; F642-I644 HydrophobicContact CZ-CG1 3.87Å; F642-V671 HydrophobicContact CD2-CB 4.06Å; F642-V671 HydrophobicContact CD2-CG1 4.12Å; F642-V671 WeakPolarHBondContact CD2-O 3.25Å; F642-V671 HydrophobicContact CE2-CG1 4.08Å; F642-L673 HydrophobicContact CE2-CB 3.71Å; F642-L673 HydrophobicContact CE2-CD2 4.26Å; F642-L673 HydrophobicContact CZ-CB 3.88Å; F642-L673 HydrophobicContact CZ-CD2 3.6Å; F642-L673 HydrophobicContact CZ-CG 4.37Å; F642-A828 HydrophobicContact CE1-CB 4.13Å; F642-A828 HydrophobicContact CZ-CB 4.09Å; F642-A831 HydrophobicContact CD2-CB 3.78Å; F642-A831 HydrophobicContact CE2-CB 3.25Å; F642-A831 HydrophobicContact CZ-CB 3.71Å; F642-L835 HydrophobicContact CB-CD1 4.03Å
643	L	98	Very high	96.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	110.4	-174.9	-59	166	0	0	0	109.3	M554 V556 F588 L641 A649 C653 M656 V671 A672 L673	M554-L643 HydrophobicContact CE-CD2 3.34Å; M554-L643 HydrophobicContact CG-CD2 3.86Å; M554-L643 HydrophobicContact SD-CD2 4.41Å; V556-L643 HydrophobicContact CG2-CD2 4.3Å; F588-L643 HydrophobicContact CZ-CD2 4.29Å; L641-L643 HydrophobicContact CD2-CD2 4.07Å; L641-L643 HydrophobicContact CD2-CG 4.44Å; L641-L643 HydrophobicContact CG-CD2 4.14Å; L641-L643 HydrophobicContact CG-CG 4.3Å; L643-A649 HydrophobicContact CB-CB 4.34Å; L643-C653 HydrophobicContact CD1-CB 3.67Å; L643-M656 HydrophobicContact CD1-CE 3.83Å; L643-V671 PolarHBondContact N-O 3.44Å; L643-A672 CarbonylContact O-C 3.48Å; L643-A672 WeakPolarHBondContact O-CA 3.47Å; L643-L673 PolarHBondContact O-N 3.38Å
644	I	98.2	Very high	96.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.5	-179.7	-51.2	173.2	0	0	0	108.5	V553 M554 N555 V556 M563 A566 V567 F642 L673 C675	V553-I644 HydrophobicContact CG2-CD1 3.79Å; V553-I644 HydrophobicContact CG2-CG1 4.36Å; M554-I644 PolarHBondContact O-N 3Å; N555-I644 CarbonylContact C-O 3.56Å; N555-I644 WeakPolarHBondContact CA-O 3.41Å; N555-I644 WeakPolarHBondContact OD1-CB 3.43Å; V556-I644 PolarHBondContact N-O 3.38Å; M563-I644 HydrophobicContact CG-CG2 4.26Å; A566-I644 HydrophobicContact CB-CD1 3.75Å; A566-I644 HydrophobicContact CB-CG2 4.24Å; V567-I644 HydrophobicContact CG2-CD1 3.62Å; F642-I644 HydrophobicContact CD1-CD1 3.9Å; F642-I644 HydrophobicContact CD1-CG1 3.86Å; F642-I644 HydrophobicContact CE1-CD1 3.47Å; F642-I644 VanDerWaalsContact CE1-CD1 3.47Å; F642-I644 HydrophobicContact CE1-CG1 3.53Å; F642-I644 HydrophobicContact CE2-CG1 4.46Å; F642-I644 HydrophobicContact CG-CG1 4.46Å; F642-I644 HydrophobicContact CZ-CD1 4.19Å; F642-I644 HydrophobicContact CZ-CG1 3.87Å; I644-L673 HydrophobicContact CG2-CD2 4.41Å; I644-C675 HydrophobicContact CG2-CB 3.74Å
645	G	97.1	Very high	96.3	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.01	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.7	-171.6	-177.9	0	0	0	0	0	117.6	V556 L673 P674 C675	V556-G645 WeakPolarHBondContact O-CA 3.23Å; G645-L673 PolarHBondContact N-O 2.82Å; G645-P674 CarbonylContact O-C 3.46Å; G645-P674 WeakPolarHBondContact O-CA 3.26Å; G645-C675 CarbonylContact C-O 3.56Å; G645-C675 VanDerWaalsContact CA-O 3.28Å; G645-C675 WeakPolarHBondContact CA-O 3.37Å; G645-C675 PolarHBondContact O-N 3.18Å
646	G	95.5	Very high	96.4	Very high	3 Å²	3	16.3 Å²	16.3	3%	0.031	8%	0.076	C	C	.	.	S	Bend	trans	-81.9	-151.1	-175.4	0	0	0	0	0	113.5	V556 E648 A649 F650 C675	V556-G646 PolarHBondContact O-N 3.02Å; G646-E648 PolarHBondContact O-N 2.86Å; G646-A649 WeakPolarHBondContact O-CB 3.4Å; G646-A649 PolarHBondContact O-N 3.29Å; G646-F650 PolarHBondContact O-N 3.41Å; G646-C675 PolarHBondContact N-O 3.08Å; G646-C675 VanDerWaalsContact N-O 3.1Å
647	F	96.1	Very high	96.4	Very high	3 Å²	3	15.1 Å²	15.1	1%	0.013	7%	0.072	C	C	.	.	H	α-helix	trans	-57.6	-32.1	179.2	-163.3	-83.4	0	0	0	112.7	A649 F650 H651 A879 F881 R884	F647-A649 VanDerWaalsContact C-N 3.34Å; F647-A649 PolarHBondContact O-N 3.47Å; F647-F650 HydrophobicContact CD2-CD1 4.48Å; F647-F650 HydrophobicContact CE2-CD1 4.32Å; F647-F650 HydrophobicContact CE2-CE1 4.5Å; F647-F650 HydrophobicContact CZ-CD1 4.4Å; F647-F650 HydrophobicContact CZ-CE1 4.42Å; F647-F650 PolarHBondContact O-N 3.15Å; F647-H651 HydrophobicContact CD1-CB 4.34Å; F647-H651 HydrophobicContact CE1-CB 4.36Å; F647-H651 VanDerWaalsContact O-CB 3.25Å; F647-H651 WeakPolarHBondContact O-CB 3.41Å; F647-H651 PolarHBondContact O-N 3.02Å; F647-A879 HydrophobicContact CE2-CB 4.38Å; F647-A879 HydrophobicContact CZ-CB 4.32Å; F647-F881 AromaticContact CE1-CD1 3.76Å; F647-F881 HydrophobicContact CE1-CD1 3.76Å; F647-F881 HydrophobicContact CE1-CE1 4.2Å; F647-F881 AromaticContact CZ-CD1 3.79Å; F647-F881 HydrophobicContact CZ-CD1 3.79Å; F647-F881 HydrophobicContact CZ-CE1 4.11Å; F647-F881 HydrophobicContact CZ-CG 4.26Å; F647-R884 HydrophobicContact CB-CB 4.43Å; F647-R884 HydrophobicContact CD1-CB 3.88Å; F647-R884 HydrophobicContact CD1-CG 3.88Å; F647-R884 HydrophobicContact CD2-CB 4.05Å; F647-R884 HydrophobicContact CE1-CB 4.09Å; F647-R884 HydrophobicContact CE1-CG 3.95Å; F647-R884 HydrophobicContact CE2-CB 4.25Å; F647-R884 HydrophobicContact CG-CB 3.87Å; F647-R884 HydrophobicContact CG-CG 4.37Å; F647-R884 HydrophobicContact CZ-CB 4.28Å; F647-R884 HydrophobicContact CZ-CG 4.49Å
648	E	96.2	Very high	96.4	Very high	12 Å²	12	12.2 Å²	12.2	6%	0.056	6%	0.061	C	C	.	.	H	α-helix	trans	-61.7	-36.6	173	-67.3	87.8	167.3	0	0	113.1	V556 K619 L621 G646 S652 R884	V556-E648 HydrophobicContact CG1-CB 3.88Å; K619-E648 HydrophobicContact CB-CG 4.24Å; L621-E648 HydrophobicContact CD2-CB 4.27Å; G646-E648 PolarHBondContact O-N 2.86Å; E648-S652 WeakPolarHBondContact O-CB 3.26Å; E648-S652 PolarHBondContact O-N 3.19Å; E648-S652 PolarHBondContact O-OG 3.04Å; E648-R884 IonicContact OE1-CZ 3.41Å; E648-R884 IonicContact OE1-NH1 2.7Å; E648-R884 PolarHBondContact OE1-NH1 2.61Å; E648-R884 IonicContact OE1-NH2 3.14Å; E648-R884 PolarHBondContact OE1-NH2 3.3Å; E648-R884 IonicContact OE2-CZ 3.55Å; E648-R884 IonicContact OE2-NH1 2.68Å; E648-R884 IonicContact OE2-NH2 3.86Å; E648-R884 PolarHBondContact OE2-NH2 3.22Å
649	A	96.9	Very high	96.4	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.008	7%	0.069	C	C	.	.	H	α-helix	trans	-68.4	-46.4	178.1	0	0	0	0	0	111.1	V556 L643 G646 F647 S652 C653	V556-A649 HydrophobicContact CB-CB 4.08Å; L643-A649 HydrophobicContact CB-CB 4.34Å; G646-A649 WeakPolarHBondContact O-CB 3.4Å; G646-A649 PolarHBondContact O-N 3.29Å; F647-A649 VanDerWaalsContact C-N 3.34Å; F647-A649 PolarHBondContact O-N 3.47Å; A649-S652 PolarHBondContact O-N 3.34Å; A649-C653 PolarHBondContact O-N 3.36Å
650	F	96.6	Very high	96.4	Very high	1 Å²	1	13.3 Å²	13.3	0%	0.004	7%	0.066	C	C	.	.	H	α-helix	trans	-57.6	-52.6	173	163.7	-111.9	0	0	0	111.6	G646 F647 S652 C653 L654 V681 P682 L859 V872 L875 A879 F881	G646-F650 PolarHBondContact O-N 3.41Å; F647-F650 HydrophobicContact CD2-CD1 4.48Å; F647-F650 HydrophobicContact CE2-CD1 4.32Å; F647-F650 HydrophobicContact CE2-CE1 4.5Å; F647-F650 HydrophobicContact CZ-CD1 4.4Å; F647-F650 HydrophobicContact CZ-CE1 4.42Å; F647-F650 PolarHBondContact O-N 3.15Å; F650-S652 VanDerWaalsContact C-N 3.32Å; F650-S652 PolarHBondContact O-N 2.82Å; F650-C653 WeakPolarHBondContact O-CB 3.39Å; F650-C653 PolarHBondContact O-N 3.2Å; F650-C653 VanDerWaalsContact O-N 3.17Å; F650-L654 HydrophobicContact CZ-CD2 4.49Å; F650-L654 PolarHBondContact O-N 2.92Å; F650-V681 HydrophobicContact CB-CG1 3.92Å; F650-V681 HydrophobicContact CG-CG1 4.42Å; F650-P682 HydrophobicContact CD1-CG 3.8Å; F650-P682 HydrophobicContact CD2-CG 4.4Å; F650-P682 HydrophobicContact CE1-CG 3.51Å; F650-P682 HydrophobicContact CE2-CG 4.15Å; F650-P682 HydrophobicContact CG-CG 4.24Å; F650-P682 HydrophobicContact CZ-CG 3.71Å; F650-L859 HydrophobicContact CB-CD1 4.14Å; F650-L859 HydrophobicContact CD2-CD1 3.76Å; F650-L859 HydrophobicContact CG-CD1 4.22Å; F650-V872 HydrophobicContact CD2-CB 4.42Å; F650-V872 HydrophobicContact CD2-CG1 4.25Å; F650-V872 HydrophobicContact CE2-CB 4.04Å; F650-V872 HydrophobicContact CE2-CG1 4.32Å; F650-L875 HydrophobicContact CE2-CB 3.71Å; F650-L875 HydrophobicContact CE2-CD1 4.26Å; F650-L875 HydrophobicContact CZ-CB 3.91Å; F650-A879 HydrophobicContact CE1-CB 4.19Å; F650-F881 HydrophobicContact CE1-CE1 4.15Å; F650-F881 HydrophobicContact CE1-CZ 4.13Å
651	H	96.4	Very high	96.2	Very high	54 Å²	54	19 Å²	19	25%	0.25	11%	0.105	C	C	.	.	H	α-helix	trans	-63.2	-38.2	-178.7	-171.6	-165.8	0	0	0	111.8	L621 F647 L654 I655 F881	L621-H651 HydrophobicContact CD2-CB 4.37Å; F647-H651 HydrophobicContact CD1-CB 4.34Å; F647-H651 HydrophobicContact CE1-CB 4.36Å; F647-H651 VanDerWaalsContact O-CB 3.25Å; F647-H651 WeakPolarHBondContact O-CB 3.41Å; F647-H651 PolarHBondContact O-N 3.02Å; H651-L654 PolarHBondContact O-N 3.06Å; H651-I655 WeakPolarHBondContact O-CD1 3.45Å; H651-I655 VanDerWaalsContact O-CG1 3.26Å; H651-I655 WeakPolarHBondContact O-CG1 3.22Å; H651-I655 PolarHBondContact O-N 2.87Å; H651-F881 AromaticContact CD2-CE1 3.82Å
652	S	96.7	Very high	96	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63	-42	174.6	-60.4	0	0	0	0	112.4	F588 L621 P622 E648 A649 F650 I655 M656	F588-S652 WeakPolarHBondContact CE2-OG 3.3Å; L621-S652 WeakPolarHBondContact CD2-OG 3.45Å; P622-S652 VanDerWaalsContact CD-OG 3.23Å; P622-S652 WeakPolarHBondContact CD-OG 3.31Å; E648-S652 WeakPolarHBondContact O-CB 3.26Å; E648-S652 PolarHBondContact O-N 3.19Å; E648-S652 PolarHBondContact O-OG 3.04Å; A649-S652 PolarHBondContact O-N 3.34Å; F650-S652 VanDerWaalsContact C-N 3.32Å; F650-S652 PolarHBondContact O-N 2.82Å; S652-I655 PolarHBondContact O-N 3.44Å; S652-M656 WeakPolarHBondContact O-CE 3.34Å; S652-M656 WeakPolarHBondContact O-CG 3.41Å; S652-M656 PolarHBondContact O-N 2.95Å; S652-M656 VanDerWaalsContact O-N 3.08Å
653	C	96.4	Very high	95.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.6	-44.6	175.1	-164.2	0	0	0	0	111.2	L643 A649 F650 M656 T657 A672 V872	L643-C653 HydrophobicContact CD1-CB 3.67Å; A649-C653 PolarHBondContact O-N 3.36Å; F650-C653 WeakPolarHBondContact O-CB 3.39Å; F650-C653 PolarHBondContact O-N 3.2Å; F650-C653 VanDerWaalsContact O-N 3.17Å; C653-M656 PolarHBondContact O-N 3.44Å; C653-T657 WeakPolarHBondContact O-CB 3.33Å; C653-T657 PolarHBondContact O-N 3.47Å; C653-T657 PolarHBondContact O-OG1 3.38Å; C653-A672 HydrophobicContact CB-CB 4.24Å; C653-V872 HydrophobicContact CB-CG1 4.16Å
654	L	96.4	Very high	95.5	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-60.6	-49.3	176.3	-179.5	63.1	0	0	0	112	F650 H651 M656 T657 E658 V872 K876 F881	F650-L654 HydrophobicContact CZ-CD2 4.49Å; F650-L654 PolarHBondContact O-N 2.92Å; H651-L654 PolarHBondContact O-N 3.06Å; L654-M656 VanDerWaalsContact C-N 3.34Å; L654-M656 PolarHBondContact O-N 2.89Å; L654-T657 WeakPolarHBondContact O-CA 3.4Å; L654-T657 WeakPolarHBondContact O-CB 3.45Å; L654-T657 PolarHBondContact O-N 3.17Å; L654-E658 HydrophobicContact CD1-CG 4.31Å; L654-E658 WeakPolarHBondContact O-CG 3.31Å; L654-E658 PolarHBondContact O-N 3.22Å; L654-V872 HydrophobicContact CB-CG2 4.38Å; L654-V872 HydrophobicContact CD1-CG2 4.23Å; L654-K876 HydrophobicContact CD1-CB 4.41Å; L654-K876 HydrophobicContact CD1-CD 4.4Å; L654-K876 HydrophobicContact CD2-CB 4.11Å; L654-K876 HydrophobicContact CD2-CD 4.16Å; L654-K876 HydrophobicContact CD2-CG 3.95Å; L654-F881 HydrophobicContact CD2-CE1 3.92Å; L654-F881 HydrophobicContact CD2-CZ 3.55Å
655	I	95.8	Very high	95.3	Very high	18 Å²	18	36.1 Å²	36.1	9%	0.092	18%	0.181	C	C	.	.	H	α-helix	trans	-56.5	-46.8	177.8	-70.1	158.2	0	0	0	111.3	L621 P622 T623 H651 S652 T657 E658 L659	L621-I655 HydrophobicContact CD1-CD1 4.2Å; P622-I655 HydrophobicContact CG-CB 4.34Å; P622-I655 HydrophobicContact CG-CG2 4.07Å; T623-I655 HydrophobicContact CG2-CD1 4.07Å; T623-I655 HydrophobicContact CG2-CG2 3.95Å; H651-I655 WeakPolarHBondContact O-CD1 3.45Å; H651-I655 VanDerWaalsContact O-CG1 3.26Å; H651-I655 WeakPolarHBondContact O-CG1 3.22Å; H651-I655 PolarHBondContact O-N 2.87Å; S652-I655 PolarHBondContact O-N 3.44Å; I655-T657 VanDerWaalsContact C-N 3.29Å; I655-T657 PolarHBondContact O-N 3.13Å; I655-E658 PolarHBondContact O-N 3.05Å; I655-L659 HydrophobicContact CG2-CD1 3.8Å; I655-L659 WeakPolarHBondContact O-CB 3.23Å; I655-L659 VanDerWaalsContact O-CG 3.27Å; I655-L659 WeakPolarHBondContact O-CG 3.11Å; I655-L659 PolarHBondContact O-N 2.94Å; I655-L659 VanDerWaalsContact O-N 3.13Å
656	M	95.8	Very high	95.2	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-35.1	178.2	-69	-176.2	-65.5	0	0	111.7	F588 P622 L641 L643 S652 C653 L654 L659 R660 F666 M670	F588-M656 HydrophobicContact CE1-CE 4.36Å; F588-M656 HydrophobicContact CE1-SD 4.09Å; F588-M656 HydrophobicContact CZ-CE 4.06Å; F588-M656 HydrophobicContact CZ-SD 4.36Å; P622-M656 HydrophobicContact CB-CG 4.45Å; P622-M656 HydrophobicContact CG-CG 4.21Å; L641-M656 HydrophobicContact CD2-CE 3.82Å; L641-M656 HydrophobicContact CD2-SD 4.21Å; L643-M656 HydrophobicContact CD1-CE 3.83Å; S652-M656 WeakPolarHBondContact O-CE 3.34Å; S652-M656 WeakPolarHBondContact O-CG 3.41Å; S652-M656 PolarHBondContact O-N 2.95Å; S652-M656 VanDerWaalsContact O-N 3.08Å; C653-M656 PolarHBondContact O-N 3.44Å; L654-M656 VanDerWaalsContact C-N 3.34Å; L654-M656 PolarHBondContact O-N 2.89Å; M656-L659 PolarHBondContact O-N 2.97Å; M656-R660 PolarHBondContact O-N 3.35Å; M656-F666 HydrophobicContact CB-CB 4.39Å; M656-F666 HydrophobicContact CB-CD1 3.96Å; M656-F666 HydrophobicContact CB-CD2 4.25Å; M656-F666 HydrophobicContact CB-CE1 4.27Å; M656-F666 HydrophobicContact CB-CG 3.97Å; M656-F666 HydrophobicContact CG-CD1 3.91Å; M656-F666 HydrophobicContact CG-CE1 3.71Å; M656-F666 HydrophobicContact CG-CE2 4.33Å; M656-F666 HydrophobicContact CG-CG 4.32Å; M656-F666 HydrophobicContact CG-CZ 3.94Å; M656-F666 WeakPolarHBondContact O-CB 2.89Å; M656-F666 WeakPolarHBondContact O-CD2 3.49Å; M656-F666 HydrophobicContact SD-CD1 4.07Å; M656-F666 HydrophobicContact SD-CE1 3.82Å; M656-M670 HydrophobicContact CB-CE 3.93Å; M656-M670 HydrophobicContact CB-SD 3.83Å; M656-M670 HydrophobicContact CE-SD 3.82Å; M656-M670 HydrophobicContact SD-SD 4.31Å
657	T	95.5	Very high	95.2	Very high	21 Å²	21	36.1 Å²	36.1	13%	0.129	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-46.6	176.8	-54.7	0	0	0	0	111.8	C653 L654 I655 L659 R660 M670 A857 V872	C653-T657 WeakPolarHBondContact O-CB 3.33Å; C653-T657 PolarHBondContact O-N 3.47Å; C653-T657 PolarHBondContact O-OG1 3.38Å; L654-T657 WeakPolarHBondContact O-CA 3.4Å; L654-T657 WeakPolarHBondContact O-CB 3.45Å; L654-T657 PolarHBondContact O-N 3.17Å; I655-T657 VanDerWaalsContact C-N 3.29Å; I655-T657 PolarHBondContact O-N 3.13Å; T657-L659 PolarHBondContact O-N 2.79Å; T657-R660 WeakPolarHBondContact O-CB 3.29Å; T657-R660 WeakPolarHBondContact O-CG 3.41Å; T657-R660 PolarHBondContact O-N 3.11Å; T657-M670 WeakPolarHBondContact OG1-CE 3.43Å; T657-A857 HydrophobicContact CG2-CB 3.88Å; T657-A857 WeakPolarHBondContact OG1-CB 3.35Å; T657-V872 HydrophobicContact CG2-CG2 4.35Å
658	E	94.5	Very high	95.2	Very high	97 Å²	97	36.4 Å²	36.4	45%	0.453	18%	0.181	S	C	.	.	H	α-helix	trans	-63.2	-31.6	177	-68.2	-179.1	158	0	0	112.3	L654 I655 K876	L654-E658 HydrophobicContact CD1-CG 4.31Å; L654-E658 WeakPolarHBondContact O-CG 3.31Å; L654-E658 PolarHBondContact O-N 3.22Å; I655-E658 PolarHBondContact O-N 3.05Å; E658-K876 WeakPolarHBondContact OE1-CE 3.35Å; E658-K876 IonicContact OE1-NZ 3.38Å; E658-K876 PolarHBondContact OE1-NZ 2.74Å
659	L	95.1	Very high	95.2	Very high	43 Å²	43	35.9 Å²	35.9	23%	0.225	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-86.8	1.6	-179.4	-68	174.5	0	0	0	114.9	I626 I655 M656 T657 S661 K662 F663 F666	I626-L659 HydrophobicContact CD1-CD1 3.86Å; I626-L659 HydrophobicContact CG2-CD1 4.29Å; I655-L659 HydrophobicContact CG2-CD1 3.8Å; I655-L659 WeakPolarHBondContact O-CB 3.23Å; I655-L659 VanDerWaalsContact O-CG 3.27Å; I655-L659 WeakPolarHBondContact O-CG 3.11Å; I655-L659 PolarHBondContact O-N 2.94Å; I655-L659 VanDerWaalsContact O-N 3.13Å; M656-L659 PolarHBondContact O-N 2.97Å; T657-L659 PolarHBondContact O-N 2.79Å; L659-S661 PolarHBondContact O-N 3.13Å; L659-K662 PolarHBondContact O-N 3.26Å; L659-F663 HydrophobicContact CB-CD2 4.23Å; L659-F663 PolarHBondContact O-N 3.2Å; L659-F666 HydrophobicContact CB-CD2 3.8Å; L659-F666 HydrophobicContact CB-CE2 3.89Å; L659-F666 HydrophobicContact CD1-CE2 4.28Å
660	R	94.5	Very high	95.3	Very high	18 Å²	18	35.9 Å²	35.9	7%	0.068	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-54.5	-34.4	175.3	-80.1	175.8	165.8	-174.8	-7.1	113.8	M656 T657 K662 F666 I668 D852 K853 S856	M656-R660 PolarHBondContact O-N 3.35Å; T657-R660 WeakPolarHBondContact O-CB 3.29Å; T657-R660 WeakPolarHBondContact O-CG 3.41Å; T657-R660 PolarHBondContact O-N 3.11Å; R660-K662 PolarHBondContact O-N 2.9Å; R660-F666 HydrophobicContact CG-CB 3.9Å; R660-F666 WeakPolarHBondContact CG-O 3.16Å; R660-F666 PolarHBondContact NE-O 3.37Å; R660-I668 PolarHBondContact NH2-O 2.91Å; R660-D852 PolarHBondContact NH1-O 2.96Å; R660-D852 VanDerWaalsContact NH1-O 3.12Å; R660-K853 PolarHBondContact NH1-O 3.33Å; R660-S856 PolarHBondContact NH1-OG 2.91Å; R660-S856 VanDerWaalsContact NH1-OG 3.1Å; R660-S856 PolarHBondContact NH2-OG 2.9Å
661	S	92.5	Very high	95.3	Very high	119 Å²	119	35.9 Å²	35.9	83%	0.832	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-63.3	-28.2	175.6	58.1	0	0	0	0	113.4	L659	L659-S661 PolarHBondContact O-N 3.13Å
662	K	93.8	Very high	95.4	Very high	140 Å²	140	33.3 Å²	33.3	61%	0.609	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-37.3	-179.5	-175.3	178.9	173.1	-167.3	0	112.6	L659 R660	L659-K662 PolarHBondContact O-N 3.26Å; R660-K662 PolarHBondContact O-N 2.9Å
663	F	93.8	Very high	95.4	Very high	20 Å²	20	33.4 Å²	33.4	9%	0.088	17%	0.167	C	C	.	.			trans	-127.1	111.5	-174.7	-56.8	-74.8	0	0	0	111.2	I626 D627 V630 L659 E665 F666	I626-F663 HydrophobicContact CG2-CD2 4.1Å; I626-F663 HydrophobicContact CG2-CE2 3.47Å; I626-F663 VanDerWaalsContact CG2-CE2 3.47Å; I626-F663 HydrophobicContact CG2-CZ 3.88Å; D627-F663 WeakPolarHBondContact OD1-CE1 3.48Å; D627-F663 WeakPolarHBondContact OD1-CZ 3.42Å; V630-F663 HydrophobicContact CB-CD1 4.29Å; V630-F663 HydrophobicContact CG1-CB 4.43Å; V630-F663 HydrophobicContact CG1-CD1 3.89Å; V630-F663 HydrophobicContact CG1-CG 4.44Å; V630-F663 HydrophobicContact CG2-CB 3.88Å; V630-F663 HydrophobicContact CG2-CD1 3.73Å; V630-F663 HydrophobicContact CG2-CD2 4.15Å; V630-F663 HydrophobicContact CG2-CE1 4.18Å; V630-F663 HydrophobicContact CG2-CG 3.68Å; L659-F663 HydrophobicContact CB-CD2 4.23Å; L659-F663 PolarHBondContact O-N 3.2Å; F663-E665 PolarHBondContact O-N 3.12Å; F663-F666 HydrophobicContact CB-CD2 3.8Å; F663-F666 HydrophobicContact CB-CE2 4.04Å; F663-F666 HydrophobicContact CB-CG 4.43Å; F663-F666 HydrophobicContact CD2-CD2 4.11Å; F663-F666 AromaticContact CD2-CE2 3.7Å; F663-F666 HydrophobicContact CD2-CE2 3.7Å; F663-F666 HydrophobicContact CE2-CE2 4.48Å; F663-F666 HydrophobicContact CG-CD2 4.41Å; F663-F666 HydrophobicContact CG-CE2 4.19Å; F663-F666 PolarHBondContact O-N 3.31Å; F663-F666 VanDerWaalsContact O-N 3.09Å
664	K	92.5	Very high	95.5	Very high	159 Å²	159	33.5 Å²	33.5	69%	0.691	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-64.9	-22.9	-179.1	-62.6	-174.5	179.7	-174.7	0	112.5	F666 C667	K664-F666 PolarHBondContact O-N 2.97Å; K664-C667 VanDerWaalsContact O-CB 3.28Å; K664-C667 WeakPolarHBondContact O-CB 3.31Å; K664-C667 PolarHBondContact O-N 3.26Å
665	E	92.8	Very high	95.5	Very high	42 Å²	42	33.2 Å²	33.2	20%	0.196	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-65.2	-18.1	174.9	-67	74.3	-171.7	0	0	113.5	V630 L633 R634 F663	V630-E665 HydrophobicContact CG1-CB 4.06Å; V630-E665 HydrophobicContact CG1-CG 3.87Å; V630-E665 WeakPolarHBondContact CG1-OE2 2.93Å; L633-E665 HydrophobicContact CB-CB 4.36Å; L633-E665 HydrophobicContact CD1-CB 4.46Å; R634-E665 HydrophobicContact CB-CG 4.2Å; R634-E665 IonicContact CZ-OE1 2.72Å; R634-E665 IonicContact NE-OE1 3.85Å; R634-E665 PolarHBondContact NE-OE1 3.31Å; R634-E665 IonicContact NH2-OE1 3.51Å; R634-E665 PolarHBondContact NH2-OE1 2.88Å; R634-E665 IonicContact NH2-OE2 2.8Å; F663-E665 PolarHBondContact O-N 3.12Å
666	F	95.1	Very high	95.6	Very high	2 Å²	2	33 Å²	33	1%	0.009	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-89.8	-6.3	170.9	-60.2	-35.7	0	0	0	113.2	I626 V629 V630 L633 M656 L659 R660 F663 K664 I668	I626-F666 HydrophobicContact CG2-CE2 4.07Å; I626-F666 HydrophobicContact CG2-CZ 4.01Å; V629-F666 HydrophobicContact CG1-CE1 4.19Å; V629-F666 HydrophobicContact CG1-CZ 4.45Å; V630-F666 HydrophobicContact CG2-CE1 3.93Å; V630-F666 HydrophobicContact CG2-CE2 3.92Å; V630-F666 HydrophobicContact CG2-CZ 3.49Å; V630-F666 VanDerWaalsContact CG2-CZ 3.49Å; L633-F666 HydrophobicContact CD1-CD1 3.74Å; L633-F666 HydrophobicContact CD1-CE1 3.62Å; M656-F666 HydrophobicContact CB-CB 4.39Å; M656-F666 HydrophobicContact CB-CD1 3.96Å; M656-F666 HydrophobicContact CB-CD2 4.25Å; M656-F666 HydrophobicContact CB-CE1 4.27Å; M656-F666 HydrophobicContact CB-CG 3.97Å; M656-F666 HydrophobicContact CG-CD1 3.91Å; M656-F666 HydrophobicContact CG-CE1 3.71Å; M656-F666 HydrophobicContact CG-CE2 4.33Å; M656-F666 HydrophobicContact CG-CG 4.32Å; M656-F666 HydrophobicContact CG-CZ 3.94Å; M656-F666 WeakPolarHBondContact O-CB 2.89Å; M656-F666 WeakPolarHBondContact O-CD2 3.49Å; M656-F666 HydrophobicContact SD-CD1 4.07Å; M656-F666 HydrophobicContact SD-CE1 3.82Å; L659-F666 HydrophobicContact CB-CD2 3.8Å; L659-F666 HydrophobicContact CB-CE2 3.89Å; L659-F666 HydrophobicContact CD1-CE2 4.28Å; R660-F666 HydrophobicContact CG-CB 3.9Å; R660-F666 WeakPolarHBondContact CG-O 3.16Å; R660-F666 PolarHBondContact NE-O 3.37Å; F663-F666 HydrophobicContact CB-CD2 3.8Å; F663-F666 HydrophobicContact CB-CE2 4.04Å; F663-F666 HydrophobicContact CB-CG 4.43Å; F663-F666 HydrophobicContact CD2-CD2 4.11Å; F663-F666 AromaticContact CD2-CE2 3.7Å; F663-F666 HydrophobicContact CD2-CE2 3.7Å; F663-F666 HydrophobicContact CE2-CE2 4.48Å; F663-F666 HydrophobicContact CG-CD2 4.41Å; F663-F666 HydrophobicContact CG-CE2 4.19Å; F663-F666 PolarHBondContact O-N 3.31Å; F663-F666 VanDerWaalsContact O-N 3.09Å; K664-F666 PolarHBondContact O-N 2.97Å; F666-I668 PolarHBondContact O-N 3.28Å
667	C	95.2	Very high	95.6	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.007	17%	0.168	C	C	.	.			trans	-79.3	46.4	173.6	-58.6	0	0	0	0	111.4	K664 Y850 T851	K664-C667 VanDerWaalsContact O-CB 3.28Å; K664-C667 WeakPolarHBondContact O-CB 3.31Å; K664-C667 PolarHBondContact O-N 3.26Å; C667-Y850 HydrophobicContact CB-CD2 3.52Å; C667-Y850 HydrophobicContact CB-CE2 3.4Å; C667-Y850 HydrophobicContact CB-CG 4.27Å; C667-Y850 CarbonylContact O-C 3.45Å; C667-Y850 WeakPolarHBondContact O-CA 3.25Å; C667-Y850 VanDerWaalsContact SG-CE2 3.58Å; C667-T851 CarbonylContact C-O 3.51Å; C667-T851 WeakPolarHBondContact CA-O 3.42Å; C667-T851 WeakPolarHBondContact CB-O 3.41Å; C667-T851 PolarHBondContact O-N 2.82Å
668	I	95.7	Very high	95.7	Very high	9 Å²	9	33.1 Å²	33.1	5%	0.046	17%	0.167	C	C	.	.	S	Bend	trans	-117.8	158.4	173	57.3	171.7	0	0	0	109.3	I638 L641 R660 F666 M670	I638-I668 HydrophobicContact CG2-CD1 4.04Å; L641-I668 HydrophobicContact CB-CD1 4.29Å; R660-I668 PolarHBondContact NH2-O 2.91Å; F666-I668 PolarHBondContact O-N 3.28Å; I668-M670 HydrophobicContact CG1-CG 4.35Å; I668-M670 PolarHBondContact O-N 3.3Å
669	P	97.1	Very high	95.7	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	15%	0.147	C	C	.	.			trans	-56.4	131.4	167.8	-24.1	34.5	0	0	0	112	D639 G640 L641 L835 K838 A839 V849 T851 S856	D639-P669 WeakPolarHBondContact O-CD 3.24Å; G640-P669 CarbonylContact C-O 3.54Å; G640-P669 VanDerWaalsContact CA-O 3.31Å; G640-P669 WeakPolarHBondContact CA-O 3.48Å; L641-P669 PolarHBondContact N-O 2.78Å; P669-L835 HydrophobicContact CB-CD2 3.65Å; P669-L835 WeakPolarHBondContact O-CD2 3.44Å; P669-K838 HydrophobicContact CB-CB 3.87Å; P669-K838 HydrophobicContact CG-CB 3.73Å; P669-A839 HydrophobicContact CG-CB 4.15Å; P669-V849 HydrophobicContact CG-CG1 4.28Å; P669-T851 HydrophobicContact CG-CG2 3.97Å; P669-S856 CarbonylContact C-O 3.53Å; P669-S856 WeakPolarHBondContact CA-O 3.38Å
670	M	98	Very high	95.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128.2	177.5	-61.2	-172.8	-73.9	0	0	109.6	L641 M656 T657 I668 S856 A857 V858	L641-M670 HydrophobicContact CB-CG 4.26Å; L641-M670 WeakPolarHBondContact O-CA 3.32Å; M656-M670 HydrophobicContact CB-CE 3.93Å; M656-M670 HydrophobicContact CB-SD 3.83Å; M656-M670 HydrophobicContact CE-SD 3.82Å; M656-M670 HydrophobicContact SD-SD 4.31Å; T657-M670 WeakPolarHBondContact OG1-CE 3.43Å; I668-M670 HydrophobicContact CG1-CG 4.35Å; I668-M670 PolarHBondContact O-N 3.3Å; M670-S856 PolarHBondContact N-O 2.88Å; M670-A857 HydrophobicContact CE-CB 4.02Å; M670-A857 WeakPolarHBondContact O-CA 3.38Å; M670-V858 PolarHBondContact O-N 2.95Å
671	V	97.8	Very high	95.8	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.2	174.4	178.4	0	0	0	0	109.6	L641 F642 L643 A831 T834 L835 V858 L860	L641-V671 PolarHBondContact O-N 2.87Å; F642-V671 HydrophobicContact CD2-CB 4.06Å; F642-V671 HydrophobicContact CD2-CG1 4.12Å; F642-V671 WeakPolarHBondContact CD2-O 3.25Å; F642-V671 HydrophobicContact CE2-CG1 4.08Å; L643-V671 PolarHBondContact N-O 3.44Å; V671-A831 HydrophobicContact CB-CB 4.39Å; V671-A831 HydrophobicContact CG1-CB 3.81Å; V671-T834 HydrophobicContact CG2-CG2 3.96Å; V671-L835 HydrophobicContact CB-CD1 4.4Å; V671-L835 HydrophobicContact CB-CD2 4.35Å; V671-L835 HydrophobicContact CB-CG 4.28Å; V671-L835 HydrophobicContact CG2-CD1 4.29Å; V671-L835 HydrophobicContact CG2-CD2 3.77Å; V671-L835 HydrophobicContact CG2-CG 3.67Å; V671-V858 CarbonylContact C-O 3.57Å; V671-V858 WeakPolarHBondContact CA-O 3.42Å; V671-V858 HydrophobicContact CG2-CG2 3.81Å; V671-L860 HydrophobicContact CG1-CB 3.99Å
672	A	97.7	Very high	95.8	Very high	1 Å²	1	21 Å²	21	1%	0.008	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.6	169.7	0	0	0	0	0	110.5	L643 C653 V858 L859 L860	L643-A672 CarbonylContact O-C 3.48Å; L643-A672 WeakPolarHBondContact O-CA 3.47Å; C653-A672 HydrophobicContact CB-CB 4.24Å; A672-V858 PolarHBondContact N-O 2.9Å; A672-L859 CarbonylContact O-C 3.48Å; A672-L859 WeakPolarHBondContact O-CA 3.18Å; A672-L860 PolarHBondContact O-N 3.42Å
673	L	97.7	Very high	95.7	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	112.2	176.2	176.5	57.1	0	0	0	109.9	A566 F642 L643 I644 G645 C675 I688 M827	A566-L673 HydrophobicContact CB-CD2 3.83Å; F642-L673 HydrophobicContact CE2-CB 3.71Å; F642-L673 HydrophobicContact CE2-CD2 4.26Å; F642-L673 HydrophobicContact CZ-CB 3.88Å; F642-L673 HydrophobicContact CZ-CD2 3.6Å; F642-L673 HydrophobicContact CZ-CG 4.37Å; L643-L673 PolarHBondContact O-N 3.38Å; I644-L673 HydrophobicContact CG2-CD2 4.41Å; G645-L673 PolarHBondContact N-O 2.82Å; L673-C675 PolarHBondContact O-N 3.42Å; L673-C675 VanDerWaalsContact O-N 3.09Å; L673-I688 HydrophobicContact CD1-CD1 3.64Å; L673-I688 HydrophobicContact CD2-CD1 3.66Å; L673-I688 HydrophobicContact CG-CD1 3.71Å; L673-M827 HydrophobicContact CD1-CB 3.57Å; L673-M827 HydrophobicContact CD1-CG 4.12Å; L673-M827 HydrophobicContact CD1-SD 3.58Å; L673-M827 VanDerWaalsContact CD1-SD 3.58Å; L673-M827 HydrophobicContact CD2-CB 4.22Å
674	P	97.5	Very high	95.7	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.019	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	110.6	177.6	-26.5	36.7	0	0	0	112.8	G645 V681 T684 S687 I688 L859 L860	G645-P674 CarbonylContact O-C 3.46Å; G645-P674 WeakPolarHBondContact O-CA 3.26Å; P674-V681 HydrophobicContact CB-CB 4.09Å; P674-V681 HydrophobicContact CB-CG1 4.22Å; P674-V681 HydrophobicContact CB-CG2 4.25Å; P674-V681 HydrophobicContact CG-CB 4.41Å; P674-V681 HydrophobicContact CG-CG1 4.1Å; P674-T684 HydrophobicContact CB-CG2 3.73Å; P674-T684 HydrophobicContact CG-CG2 3.82Å; P674-S687 WeakPolarHBondContact O-CA 3Å; P674-I688 PolarHBondContact O-N 3.33Å; P674-L859 HydrophobicContact CG-CD1 4.01Å; P674-L859 HydrophobicContact CG-CD2 3.76Å; P674-L859 HydrophobicContact CG-CG 3.9Å; P674-L860 WeakPolarHBondContact CD-O 3.24Å
675	C	97.5	Very high	95.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.046	C	C	.	.	B	Isolated β-bridge	trans	-136.3	103.6	175.9	-170.8	0	0	0	0	109.8	M563 I644 G645 G646 L673 I688	M563-C675 HydrophobicContact CE-CB 4.48Å; M563-C675 HydrophobicContact CG-CB 4.39Å; M563-C675 WeakPolarHBondContact CG-SG 3.27Å; I644-C675 HydrophobicContact CG2-CB 3.74Å; G645-C675 CarbonylContact C-O 3.56Å; G645-C675 VanDerWaalsContact CA-O 3.28Å; G645-C675 WeakPolarHBondContact CA-O 3.37Å; G645-C675 PolarHBondContact O-N 3.18Å; G646-C675 PolarHBondContact N-O 3.08Å; G646-C675 VanDerWaalsContact N-O 3.1Å; L673-C675 PolarHBondContact O-N 3.42Å; L673-C675 VanDerWaalsContact O-N 3.09Å; C675-I688 CarbonylContact C-O 3.6Å; C675-I688 VanDerWaalsContact CA-O 3.24Å; C675-I688 WeakPolarHBondContact CA-O 3.23Å; C675-I688 HydrophobicContact CB-CB 4.1Å; C675-I688 PolarHBondContact SG-O 2.92Å
676	T	96.9	Very high	95.5	Very high	12 Å²	12	6.3 Å²	6.3	7%	0.074	4%	0.04	C	C	.	.			trans	-165.9	149.3	-177	174.9	0	0	0	0	108.6	S678 V681 S687 I688	T676-S678 VanDerWaalsContact C-N 3.32Å; T676-S678 PolarHBondContact OG1-N 2.68Å; T676-V681 HydrophobicContact CG2-CG2 3.73Å; T676-S687 WeakPolarHBondContact CG2-OG 3.15Å; T676-S687 PolarHBondContact O-OG 2.92Å; T676-I688 PolarHBondContact N-O 2.98Å
677	I	96.7	Very high	95.5	Very high	8 Å²	8	6.2 Å²	6.2	4%	0.041	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-30.5	173.2	64.5	173.8	0	0	0	112.1	A560 N679 A693 M721 L728 Q811 Q812	A560-I677 HydrophobicContact CB-CG2 4.29Å; I677-N679 VanDerWaalsContact C-N 3.31Å; I677-N679 PolarHBondContact O-N 2.69Å; I677-A693 HydrophobicContact CB-CB 3.71Å; I677-A693 HydrophobicContact CG2-CB 3.84Å; I677-M721 HydrophobicContact CD1-CB 4.16Å; I677-M721 HydrophobicContact CD1-CE 4.31Å; I677-M721 HydrophobicContact CD1-SD 4.15Å; I677-L728 HydrophobicContact CB-CD1 4.33Å; I677-L728 HydrophobicContact CD1-CD1 4.4Å; I677-L728 HydrophobicContact CG1-CD1 4.24Å; I677-L728 WeakPolarHBondContact O-CD2 3.21Å; I677-Q811 HydrophobicContact CD1-CB 4.32Å; I677-Q812 HydrophobicContact CD1-CG 4.21Å
678	S	96.4	Very high	95.6	Very high	18 Å²	18	6.2 Å²	6.2	13%	0.126	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-12.8	-169.2	-49.2	0	0	0	0	114.9	T676 N680 C725	T676-S678 VanDerWaalsContact C-N 3.32Å; T676-S678 PolarHBondContact OG1-N 2.68Å; S678-N680 PolarHBondContact O-N 3.15Å; S678-C725 PolarHBondContact O-SG 3.02Å
679	N	95.9	Very high	95.6	Very high	5 Å²	5	5.8 Å²	5.8	3%	0.027	4%	0.037	C	C	.	.			trans	51.3	34.1	-173.7	-156.9	25.8	0	0	0	114.9	I677 S685 F686 S687 Y727	I677-N679 VanDerWaalsContact C-N 3.31Å; I677-N679 PolarHBondContact O-N 2.69Å; N679-S685 PolarHBondContact ND2-O 2.72Å; N679-S685 PolarHBondContact OD1-O 3.44Å; N679-F686 WeakPolarHBondContact OD1-CA 3.3Å; N679-S687 VanDerWaalsContact CA-OG 3.25Å; N679-S687 WeakPolarHBondContact CA-OG 3.04Å; N679-S687 PolarHBondContact N-OG 2.89Å; N679-S687 PolarHBondContact OD1-N 3.34Å; N679-S687 PolarHBondContact OD1-OG 2.87Å; N679-Y727 HydrophobicContact CB-CD1 3.4Å; N679-Y727 VanDerWaalsContact CB-CD1 3.4Å; N679-Y727 HydrophobicContact CB-CD2 4.15Å; N679-Y727 HydrophobicContact CB-CE1 3.73Å; N679-Y727 HydrophobicContact CB-CE2 4.4Å; N679-Y727 HydrophobicContact CB-CG 3.64Å; N679-Y727 WeakPolarHBondContact ND2-CD2 3.33Å; N679-Y727 WeakPolarHBondContact ND2-CE2 3.31Å
680	N	95.7	Very high	95.5	Very high	12 Å²	12	5.7 Å²	5.7	6%	0.064	4%	0.036	C	C	.	.			trans	-99.6	19.6	-171	71.9	-46.7	0	0	0	114.2	S678 C725 R884	S678-N680 PolarHBondContact O-N 3.15Å; N680-C725 HydrophobicContact CB-CB 3.74Å; N680-R884 PolarHBondContact ND2-O 3.11Å
681	V	95.2	Very high	95.5	Very high	2 Å²	2	6 Å²	6	1%	0.012	4%	0.038	C	C	.	.			trans	-101.7	127.5	-175.6	-168.5	0	0	0	0	109.8	F650 P674 T676 L859	F650-V681 HydrophobicContact CB-CG1 3.92Å; F650-V681 HydrophobicContact CG-CG1 4.42Å; P674-V681 HydrophobicContact CB-CB 4.09Å; P674-V681 HydrophobicContact CB-CG1 4.22Å; P674-V681 HydrophobicContact CB-CG2 4.25Å; P674-V681 HydrophobicContact CG-CB 4.41Å; P674-V681 HydrophobicContact CG-CG1 4.1Å; T676-V681 HydrophobicContact CG2-CG2 3.73Å; V681-L859 HydrophobicContact CG1-CD1 3.67Å
682	P	93.9	Very high	95.5	Very high	2 Å²	2	6 Å²	6	1%	0.013	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	154.5	179	28.7	-36.9	0	0	0	111.8	F650 T684 L859 L875 A879	F650-P682 HydrophobicContact CD1-CG 3.8Å; F650-P682 HydrophobicContact CD2-CG 4.4Å; F650-P682 HydrophobicContact CE1-CG 3.51Å; F650-P682 HydrophobicContact CE2-CG 4.15Å; F650-P682 HydrophobicContact CG-CG 4.24Å; F650-P682 HydrophobicContact CZ-CG 3.71Å; P682-T684 VanDerWaalsContact C-N 3.34Å; P682-T684 PolarHBondContact O-N 2.84Å; P682-L859 WeakPolarHBondContact O-CD1 2.94Å; P682-L859 WeakPolarHBondContact O-CD2 3.14Å; P682-L875 HydrophobicContact CB-CB 4.38Å; P682-L875 HydrophobicContact CG-CB 4.38Å; P682-A879 HydrophobicContact CG-CB 4.22Å
683	G	91.2	Very high	95.4	Very high	11 Å²	11	5.9 Å²	5.9	11%	0.113	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	2.2	176.3	0	0	0	0	0	116.1	R863	G683-R863 WeakPolarHBondContact O-CG 3.23Å
684	T	93	Very high	95.4	Very high	17 Å²	17	5.9 Å²	5.9	10%	0.104	4%	0.037	C	C	.	.			trans	-133.6	148	170.2	-162.9	0	0	0	0	112.6	P674 P682 F686 M862	P674-T684 HydrophobicContact CB-CG2 3.73Å; P674-T684 HydrophobicContact CG-CG2 3.82Å; P682-T684 VanDerWaalsContact C-N 3.34Å; P682-T684 PolarHBondContact O-N 2.84Å; T684-F686 WeakPolarHBondContact CG2-O 3.39Å; T684-F686 PolarHBondContact OG1-N 3.09Å; T684-F686 PolarHBondContact OG1-O 3.17Å; T684-M862 CarbonylContact C-O 3.59Å; T684-M862 WeakPolarHBondContact CA-O 3.32Å; T684-M862 PolarHBondContact OG1-N 3.28Å
685	S	89.8	Confident	95.4	Very high	13 Å²	13	6.2 Å²	6.2	9%	0.091	4%	0.039	C	C	.	.	S	Bend	trans	-81.7	-25	168	-55.5	0	0	0	0	112.8	N679 M862 W890	N679-S685 PolarHBondContact ND2-O 2.72Å; N679-S685 PolarHBondContact OD1-O 3.44Å; S685-M862 PolarHBondContact N-O 2.96Å; S685-M862 PolarHBondContact OG-O 2.78Å; S685-W890 PolarHBondContact O-NE1 2.97Å
686	F	90.8	Very high	95.3	Very high	13 Å²	13	8.9 Å²	8.9	6%	0.057	5%	0.051	C	C	.	.			trans	-138	128.5	179.5	-63.1	-72.1	0	0	0	110.2	N484 N679 T684 W890	N484-F686 HydrophobicContact CB-CE2 3.76Å; N484-F686 HydrophobicContact CB-CZ 4.35Å; N484-F686 VanDerWaalsContact CG-CE2 3.42Å; N484-F686 VanDerWaalsContact OD1-CZ 3.27Å; N484-F686 WeakPolarHBondContact OD1-CZ 3.08Å; N679-F686 WeakPolarHBondContact OD1-CA 3.3Å; T684-F686 WeakPolarHBondContact CG2-O 3.39Å; T684-F686 PolarHBondContact OG1-N 3.09Å; T684-F686 PolarHBondContact OG1-O 3.17Å; F686-W890 HydrophobicContact CE1-CH2 4.34Å; F686-W890 AromaticContact CE1-CZ2 3.88Å; F686-W890 HydrophobicContact CE1-CZ2 3.88Å; F686-W890 HydrophobicContact CZ-CH2 4.28Å; F686-W890 HydrophobicContact CZ-CZ2 4.05Å
687	S	95.4	Very high	95.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.048	C	C	.	.			trans	-94.2	144.8	161.8	57.7	0	0	0	0	110.6	P674 T676 N679 G689 S690	P674-S687 WeakPolarHBondContact O-CA 3Å; T676-S687 WeakPolarHBondContact CG2-OG 3.15Å; T676-S687 PolarHBondContact O-OG 2.92Å; N679-S687 VanDerWaalsContact CA-OG 3.25Å; N679-S687 WeakPolarHBondContact CA-OG 3.04Å; N679-S687 PolarHBondContact N-OG 2.89Å; N679-S687 PolarHBondContact OD1-N 3.34Å; N679-S687 PolarHBondContact OD1-OG 2.87Å; S687-G689 PolarHBondContact O-N 2.86Å; S687-S690 WeakPolarHBondContact O-CB 3.37Å; S687-S690 PolarHBondContact O-N 3.16Å; S687-S690 PolarHBondContact O-OG 3.22Å
688	I	96.9	Very high	95.1	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.046	C	C	.	.	B	Isolated β-bridge	trans	-62	133	174.5	-67.4	152.9	0	0	0	109.3	C561 L673 P674 C675 T676 L823 A824 M827	C561-I688 WeakPolarHBondContact O-CG2 3.33Å; L673-I688 HydrophobicContact CD1-CD1 3.64Å; L673-I688 HydrophobicContact CD2-CD1 3.66Å; L673-I688 HydrophobicContact CG-CD1 3.71Å; P674-I688 PolarHBondContact O-N 3.33Å; C675-I688 CarbonylContact C-O 3.6Å; C675-I688 VanDerWaalsContact CA-O 3.24Å; C675-I688 WeakPolarHBondContact CA-O 3.23Å; C675-I688 HydrophobicContact CB-CB 4.1Å; C675-I688 PolarHBondContact SG-O 2.92Å; T676-I688 PolarHBondContact N-O 2.98Å; I688-L823 HydrophobicContact CG1-CB 4.44Å; I688-L823 HydrophobicContact CG1-CD2 3.94Å; I688-L823 HydrophobicContact CG1-CG 3.96Å; I688-A824 HydrophobicContact CD1-CB 4.04Å; I688-A824 HydrophobicContact CG1-CB 4.35Å; I688-A824 HydrophobicContact CG2-CB 3.92Å; I688-M827 HydrophobicContact CD1-SD 3.89Å; I688-M827 HydrophobicContact CG1-SD 4.27Å
689	G	96.5	Very high	95	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.1	-12.2	-176.8	0	0	0	0	0	113.8	C561 S687 A693 D820	C561-G689 WeakPolarHBondContact O-CA 3.49Å; C561-G689 PolarHBondContact O-N 2.84Å; S687-G689 PolarHBondContact O-N 2.86Å; G689-A693 PolarHBondContact O-N 3.32Å; G689-A693 VanDerWaalsContact O-N 3.15Å; G689-D820 WeakPolarHBondContact CA-OD2 3.31Å; G689-D820 PolarHBondContact N-OD1 2.86Å; G689-D820 PolarHBondContact N-OD2 3.43Å
690	S	96.2	Very high	94.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-72.7	-34.8	179.4	65.2	0	0	0	0	112.8	S687 A693 L694	S687-S690 WeakPolarHBondContact O-CB 3.37Å; S687-S690 PolarHBondContact O-N 3.16Å; S687-S690 PolarHBondContact O-OG 3.22Å; S690-A693 PolarHBondContact O-N 3.3Å; S690-L694 VanDerWaalsContact O-CG 3.29Å; S690-L694 WeakPolarHBondContact O-CG 3.33Å; S690-L694 PolarHBondContact O-N 2.88Å
691	D	96.6	Very high	94.7	Very high	6 Å²	6	10.9 Å²	10.9	3%	0.032	6%	0.06	C	C	.	.	H	α-helix	trans	-70	-40.6	175.5	175.2	71.8	0	0	0	111.8	A693 L694 N695 T817 F819	D691-A693 VanDerWaalsContact C-N 3.31Å; D691-A693 PolarHBondContact O-N 2.74Å; D691-L694 PolarHBondContact O-N 2.9Å; D691-N695 PolarHBondContact O-N 3.23Å; D691-N695 PolarHBondContact O-ND2 3.17Å; D691-N695 PolarHBondContact OD1-ND2 3.09Å; D691-N695 VanDerWaalsContact OD1-ND2 3.17Å; D691-N695 PolarHBondContact OD2-ND2 3.23Å; D691-N695 VanDerWaalsContact OD2-ND2 3.14Å; D691-T817 VanDerWaalsContact OD2-CB 3.23Å; D691-T817 WeakPolarHBondContact OD2-CB 3.05Å; D691-T817 WeakPolarHBondContact OD2-CG2 3.42Å; D691-T817 PolarHBondContact OD2-OG1 3.48Å; D691-F819 HydrophobicContact CB-CB 4.39Å; D691-F819 HydrophobicContact CB-CD1 3.75Å; D691-F819 HydrophobicContact CB-CE1 4.43Å; D691-F819 HydrophobicContact CB-CG 4.32Å
692	T	97.4	Very high	94.5	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.006	6%	0.063	C	C	.	.	H	α-helix	trans	-57.3	-46.4	172.2	-54.6	0	0	0	0	111.1	C561 L694 N695 E696 T817 D820	C561-T692 HydrophobicContact CB-CG2 3.75Å; C561-T692 WeakPolarHBondContact CB-OG1 3.46Å; T692-L694 PolarHBondContact O-N 2.85Å; T692-N695 PolarHBondContact O-N 2.78Å; T692-E696 PolarHBondContact O-N 3.45Å; T692-T817 HydrophobicContact CG2-CG2 4.26Å; T692-T817 PolarHBondContact OG1-N 3.34Å; T692-T817 VanDerWaalsContact OG1-N 3.14Å; T692-T817 PolarHBondContact OG1-OG1 3.49Å; T692-D820 WeakPolarHBondContact CB-OD2 3.48Å; T692-D820 PolarHBondContact N-OD2 2.85Å; T692-D820 PolarHBondContact OG1-OD2 3.25Å
693	A	97.4	Very high	94.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.9	-43.8	177.3	0	0	0	0	0	112.7	I677 G689 S690 D691 N695 E696 I697 L728 Q811	I677-A693 HydrophobicContact CB-CB 3.71Å; I677-A693 HydrophobicContact CG2-CB 3.84Å; G689-A693 PolarHBondContact O-N 3.32Å; G689-A693 VanDerWaalsContact O-N 3.15Å; S690-A693 PolarHBondContact O-N 3.3Å; D691-A693 VanDerWaalsContact C-N 3.31Å; D691-A693 PolarHBondContact O-N 2.74Å; A693-N695 VanDerWaalsContact C-N 3.35Å; A693-N695 PolarHBondContact O-N 2.78Å; A693-E696 PolarHBondContact O-N 2.81Å; A693-I697 WeakPolarHBondContact O-CB 3.4Å; A693-I697 WeakPolarHBondContact O-CD1 3.37Å; A693-I697 WeakPolarHBondContact O-CG1 3.46Å; A693-I697 PolarHBondContact O-N 3.27Å; A693-L728 HydrophobicContact CB-CD2 3.9Å; A693-Q811 WeakPolarHBondContact CA-O 2.86Å; A693-Q811 WeakPolarHBondContact CB-O 3.28Å
694	L	96.7	Very high	94.2	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-63.2	-38.9	176.9	-72	171.7	0	0	0	112.6	A450 S690 D691 T692 C698 Y727 L728 V731	A450-L694 HydrophobicContact CB-CB 3.94Å; S690-L694 VanDerWaalsContact O-CG 3.29Å; S690-L694 WeakPolarHBondContact O-CG 3.33Å; S690-L694 PolarHBondContact O-N 2.88Å; D691-L694 PolarHBondContact O-N 2.9Å; T692-L694 PolarHBondContact O-N 2.85Å; L694-C698 WeakPolarHBondContact O-CB 3.09Å; L694-C698 PolarHBondContact O-N 3.31Å; L694-C698 PolarHBondContact O-SG 3.17Å; L694-Y727 HydrophobicContact CD1-CE1 3.84Å; L694-Y727 WeakPolarHBondContact CD1-OH 3.42Å; L694-Y727 HydrophobicContact CG-CE1 4.32Å; L694-L728 HydrophobicContact CD2-CD2 3.88Å; L694-L728 HydrophobicContact CG-CD2 4.03Å; L694-V731 HydrophobicContact CD1-CB 4.39Å; L694-V731 HydrophobicContact CD1-CG1 3.62Å; L694-V731 HydrophobicContact CD2-CB 3.97Å; L694-V731 HydrophobicContact CD2-CG1 3.88Å; L694-V731 HydrophobicContact CG-CG1 4.43Å
695	N	96.4	Very high	93.9	Very high	10 Å²	10	16.8 Å²	16.8	5%	0.053	8%	0.082	C	C	.	.	H	α-helix	trans	-65.2	-44.6	175.2	-82.3	-78.4	0	0	0	111.9	S449 A450 D691 T692 A693 C698 N699 T817	S449-N695 WeakPolarHBondContact CA-OD1 3.31Å; A450-N695 HydrophobicContact CB-CB 4.4Å; A450-N695 PolarHBondContact N-OD1 2.91Å; D691-N695 PolarHBondContact O-N 3.23Å; D691-N695 PolarHBondContact O-ND2 3.17Å; D691-N695 PolarHBondContact OD1-ND2 3.09Å; D691-N695 VanDerWaalsContact OD1-ND2 3.17Å; D691-N695 PolarHBondContact OD2-ND2 3.23Å; D691-N695 VanDerWaalsContact OD2-ND2 3.14Å; T692-N695 PolarHBondContact O-N 2.78Å; A693-N695 VanDerWaalsContact C-N 3.35Å; A693-N695 PolarHBondContact O-N 2.78Å; N695-C698 PolarHBondContact O-N 2.96Å; N695-N699 WeakPolarHBondContact O-CB 3.11Å; N695-N699 PolarHBondContact O-N 3.37Å; N695-N699 PolarHBondContact O-ND2 3.36Å; N695-T817 HydrophobicContact CB-CG2 4.26Å
696	E	96.3	Very high	93.6	Very high	55 Å²	55	23 Å²	23	26%	0.257	11%	0.11	S	C	.	.	H	α-helix	trans	-62.9	-44.3	175.4	-70.2	-61.2	168.4	0	0	112.4	T692 A693 C698 N699 L700	T692-E696 PolarHBondContact O-N 3.45Å; A693-E696 PolarHBondContact O-N 2.81Å; E696-C698 VanDerWaalsContact C-N 3.34Å; E696-C698 PolarHBondContact O-N 2.79Å; E696-N699 PolarHBondContact O-N 3Å; E696-L700 WeakPolarHBondContact O-CB 3.32Å; E696-L700 VanDerWaalsContact O-CG 3.27Å; E696-L700 WeakPolarHBondContact O-CG 3.47Å; E696-L700 PolarHBondContact O-N 3.06Å
697	I	96.2	Very high	93.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.2	-46.3	175.3	-65.1	161.7	0	0	0	110.3	A693 N699 L700 I701 T720 L728 S732 M774 L807 Q811	A693-I697 WeakPolarHBondContact O-CB 3.4Å; A693-I697 WeakPolarHBondContact O-CD1 3.37Å; A693-I697 WeakPolarHBondContact O-CG1 3.46Å; A693-I697 PolarHBondContact O-N 3.27Å; I697-N699 PolarHBondContact O-N 3.02Å; I697-L700 PolarHBondContact O-N 3.3Å; I697-I701 HydrophobicContact CG2-CD1 3.57Å; I697-I701 HydrophobicContact CG2-CG1 4.26Å; I697-I701 WeakPolarHBondContact O-CB 3.29Å; I697-I701 VanDerWaalsContact O-CG1 3.24Å; I697-I701 WeakPolarHBondContact O-CG1 3.23Å; I697-I701 PolarHBondContact O-N 3.11Å; I697-T720 HydrophobicContact CD1-CG2 4.13Å; I697-T720 HydrophobicContact CG2-CG2 4.24Å; I697-L728 HydrophobicContact CD1-CB 4.1Å; I697-L728 HydrophobicContact CD1-CD1 4.39Å; I697-L728 HydrophobicContact CD1-CD2 4.01Å; I697-L728 HydrophobicContact CD1-CG 4.4Å; I697-S732 VanDerWaalsContact CG2-CB 3.43Å; I697-S732 WeakPolarHBondContact CG2-OG 3.31Å; I697-M774 HydrophobicContact CG2-CE 4.13Å; I697-L807 HydrophobicContact CB-CD1 4.24Å; I697-L807 HydrophobicContact CG1-CD1 3.94Å; I697-L807 HydrophobicContact CG2-CD1 3.85Å; I697-Q811 HydrophobicContact CD1-CG 4.25Å; I697-Q811 HydrophobicContact CG1-CG 3.76Å
698	C	93.8	Very high	92.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.9	-45.1	177	-71.2	0	0	0	0	112.2	L694 N695 E696 L700 I701 D702	L694-C698 WeakPolarHBondContact O-CB 3.09Å; L694-C698 PolarHBondContact O-N 3.31Å; L694-C698 PolarHBondContact O-SG 3.17Å; N695-C698 PolarHBondContact O-N 2.96Å; E696-C698 VanDerWaalsContact C-N 3.34Å; E696-C698 PolarHBondContact O-N 2.79Å; C698-L700 VanDerWaalsContact C-N 3.31Å; C698-L700 PolarHBondContact O-N 3.08Å; C698-I701 PolarHBondContact O-N 3.45Å; C698-D702 WeakPolarHBondContact O-CB 3.47Å; C698-D702 PolarHBondContact O-N 2.81Å
699	N	93.3	Very high	91.6	Very high	56 Å²	56	31.1 Å²	31.1	30%	0.299	16%	0.158	S	C	.	.	H	α-helix	trans	-62.8	-36.2	178.2	-74	-27.5	0	0	0	112.6	N695 E696 I697 K703	N695-N699 WeakPolarHBondContact O-CB 3.11Å; N695-N699 PolarHBondContact O-N 3.37Å; N695-N699 PolarHBondContact O-ND2 3.36Å; E696-N699 PolarHBondContact O-N 3Å; I697-N699 PolarHBondContact O-N 3.02Å; N699-K703 WeakPolarHBondContact O-CD 3.42Å; N699-K703 WeakPolarHBondContact O-CG 3.26Å; N699-K703 PolarHBondContact O-N 3.02Å
700	L	93.9	Very high	90.7	Very high	40 Å²	40	34.5 Å²	34.5	21%	0.209	19%	0.193	C	C	.	.	H	α-helix	trans	-72.4	-43.7	175.1	-69.4	166.5	0	0	0	111.4	E696 I697 C698 D702 K703 V704 L807 A810	E696-L700 WeakPolarHBondContact O-CB 3.32Å; E696-L700 VanDerWaalsContact O-CG 3.27Å; E696-L700 WeakPolarHBondContact O-CG 3.47Å; E696-L700 PolarHBondContact O-N 3.06Å; I697-L700 PolarHBondContact O-N 3.3Å; C698-L700 VanDerWaalsContact C-N 3.31Å; C698-L700 PolarHBondContact O-N 3.08Å; L700-D702 VanDerWaalsContact C-N 3.33Å; L700-D702 PolarHBondContact O-N 3.19Å; L700-K703 PolarHBondContact O-N 3.13Å; L700-V704 WeakPolarHBondContact O-CG2 3.4Å; L700-V704 PolarHBondContact O-N 3.43Å; L700-L807 HydrophobicContact CB-CD2 4.01Å; L700-L807 HydrophobicContact CD1-CB 4.36Å; L700-L807 HydrophobicContact CD1-CD1 4.44Å; L700-L807 HydrophobicContact CD1-CD2 4.05Å; L700-A810 HydrophobicContact CD1-CB 4.17Å
701	I	92.4	Very high	89.7	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-39.7	176.1	-67.1	166.9	0	0	0	111	I697 C698 K703 V704 K705 V718 S736 I772 M774	I697-I701 HydrophobicContact CG2-CD1 3.57Å; I697-I701 HydrophobicContact CG2-CG1 4.26Å; I697-I701 WeakPolarHBondContact O-CB 3.29Å; I697-I701 VanDerWaalsContact O-CG1 3.24Å; I697-I701 WeakPolarHBondContact O-CG1 3.23Å; I697-I701 PolarHBondContact O-N 3.11Å; C698-I701 PolarHBondContact O-N 3.45Å; I701-K703 VanDerWaalsContact C-N 3.31Å; I701-K703 PolarHBondContact O-N 2.93Å; I701-V704 CarbonylContact O-C 3.26Å; I701-V704 WeakPolarHBondContact O-CA 3.42Å; I701-V704 WeakPolarHBondContact O-CB 3.31Å; I701-V704 PolarHBondContact O-N 3.27Å; I701-K705 HydrophobicContact CG2-CG 4.36Å; I701-K705 WeakPolarHBondContact O-CG 3.29Å; I701-K705 PolarHBondContact O-N 2.85Å; I701-V718 HydrophobicContact CG1-CG1 4.41Å; I701-S736 WeakPolarHBondContact CD1-OG 3.4Å; I701-I772 HydrophobicContact CG2-CD1 3.86Å; I701-M774 HydrophobicContact CD1-CE 3.63Å; I701-M774 HydrophobicContact CD1-SD 3.6Å; I701-M774 VanDerWaalsContact CD1-SD 3.6Å; I701-M774 HydrophobicContact CG1-CE 4.49Å; I701-M774 HydrophobicContact CG1-SD 4.44Å
702	D	90	Very high	88.9	Confident	14 Å²	14	43.8 Å²	43.8	8%	0.075	24%	0.237	C	C	.	.	H	α-helix	trans	-64.4	-35.2	179.1	-69	-25.4	0	0	0	112.5	Q204 R453 C698 L700 K705 Q706	Q204-D702 HydrophobicContact CB-CB 4.41Å; Q204-D702 VanDerWaalsContact CB-CG 3.41Å; Q204-D702 VanDerWaalsContact CB-OD1 3.32Å; Q204-D702 WeakPolarHBondContact CB-OD1 3.32Å; Q204-D702 WeakPolarHBondContact CB-OD2 3.44Å; Q204-D702 HydrophobicContact CG-CB 4.44Å; R453-D702 IonicContact CZ-OD2 2.74Å; R453-D702 IonicContact NH1-OD1 3.22Å; R453-D702 PolarHBondContact NH1-OD1 3.37Å; R453-D702 IonicContact NH1-OD2 2.86Å; R453-D702 PolarHBondContact NH1-OD2 3.42Å; R453-D702 IonicContact NH2-OD2 3.74Å; R453-D702 PolarHBondContact NH2-OD2 3.45Å; C698-D702 WeakPolarHBondContact O-CB 3.47Å; C698-D702 PolarHBondContact O-N 2.81Å; L700-D702 VanDerWaalsContact C-N 3.33Å; L700-D702 PolarHBondContact O-N 3.19Å; D702-K705 PolarHBondContact O-N 3.49Å; D702-K705 IonicContact OD1-NZ 3.13Å; D702-K705 PolarHBondContact OD1-NZ 3.21Å; D702-Q706 PolarHBondContact O-N 3.34Å
703	K	90.3	Very high	88.3	Confident	129 Å²	129	48.8 Å²	48.8	56%	0.561	26%	0.256	S	S	*	.	H	α-helix	trans	-65.7	-39.3	170.1	-65.9	163.6	-173	170.4	0	111.6	N699 L700 I701 Q706 S707	N699-K703 WeakPolarHBondContact O-CD 3.42Å; N699-K703 WeakPolarHBondContact O-CG 3.26Å; N699-K703 PolarHBondContact O-N 3.02Å; L700-K703 PolarHBondContact O-N 3.13Å; I701-K703 VanDerWaalsContact C-N 3.31Å; I701-K703 PolarHBondContact O-N 2.93Å; K703-Q706 PolarHBondContact O-N 2.97Å; K703-S707 PolarHBondContact O-N 2.86Å; K703-S707 VanDerWaalsContact O-N 3.1Å
704	V	89	Confident	88	Confident	10 Å²	10	51.1 Å²	51.1	6%	0.061	26%	0.264	C	S	.	.	H	α-helix	trans	-63.2	-44.7	173.9	172.2	0	0	0	0	111.5	L700 I701 Q706 S707 A708 F716 N805	L700-V704 WeakPolarHBondContact O-CG2 3.4Å; L700-V704 PolarHBondContact O-N 3.43Å; I701-V704 CarbonylContact O-C 3.26Å; I701-V704 WeakPolarHBondContact O-CA 3.42Å; I701-V704 WeakPolarHBondContact O-CB 3.31Å; I701-V704 PolarHBondContact O-N 3.27Å; V704-Q706 VanDerWaalsContact C-N 3.33Å; V704-Q706 PolarHBondContact O-N 2.73Å; V704-S707 WeakPolarHBondContact O-CB 3.25Å; V704-S707 PolarHBondContact O-N 2.79Å; V704-A708 PolarHBondContact O-N 2.86Å; V704-F716 HydrophobicContact CG1-CB 3.95Å; V704-F716 HydrophobicContact CG1-CD1 3.46Å; V704-F716 VanDerWaalsContact CG1-CD1 3.46Å; V704-F716 HydrophobicContact CG1-CD2 3.71Å; V704-F716 HydrophobicContact CG1-CE1 3.74Å; V704-F716 HydrophobicContact CG1-CE2 3.98Å; V704-F716 HydrophobicContact CG1-CG 3.42Å; V704-F716 VanDerWaalsContact CG1-CG 3.42Å; V704-F716 HydrophobicContact CG1-CZ 3.97Å; V704-N805 WeakPolarHBondContact CG2-ND2 3.44Å
705	K	85.8	Confident	87.7	Confident	3 Å²	3	51 Å²	51	1%	0.013	26%	0.264	C	S	.	.	H	α-helix	trans	-56.8	-45.9	173.5	-67.4	175.7	-173.4	158.4	0	111.4	I701 D702 S707 A708 I709 S736 I772	I701-K705 HydrophobicContact CG2-CG 4.36Å; I701-K705 WeakPolarHBondContact O-CG 3.29Å; I701-K705 PolarHBondContact O-N 2.85Å; D702-K705 PolarHBondContact O-N 3.49Å; D702-K705 IonicContact OD1-NZ 3.13Å; D702-K705 PolarHBondContact OD1-NZ 3.21Å; K705-S707 VanDerWaalsContact C-N 3.3Å; K705-S707 PolarHBondContact O-N 3.15Å; K705-A708 WeakPolarHBondContact O-CA 3.14Å; K705-A708 VanDerWaalsContact O-CB 3.25Å; K705-A708 WeakPolarHBondContact O-CB 3.47Å; K705-A708 PolarHBondContact O-N 3.47Å; K705-I709 PolarHBondContact O-N 2.9Å; K705-I709 VanDerWaalsContact O-N 3.14Å; K705-S736 WeakPolarHBondContact CE-O 3.14Å; K705-S736 PolarHBondContact NZ-O 3.24Å; K705-I772 HydrophobicContact CG-CD1 3.8Å
706	Q	83.8	Confident	87.6	Confident	145 Å²	145	51.3 Å²	51.3	68%	0.678	27%	0.265	S	S	*	.	H	α-helix	trans	-60.8	-39.9	179.5	-171	177.5	2.3	0	0	111.8	D702 K703 V704 A708 I709	D702-Q706 PolarHBondContact O-N 3.34Å; K703-Q706 PolarHBondContact O-N 2.97Å; V704-Q706 VanDerWaalsContact C-N 3.33Å; V704-Q706 PolarHBondContact O-N 2.73Å; Q706-A708 VanDerWaalsContact C-N 3.33Å; Q706-I709 PolarHBondContact O-N 3.21Å
707	S	84.3	Confident	87.5	Confident	69 Å²	69	48.7 Å²	48.7	48%	0.483	25%	0.253	S	S	.	.	H	α-helix	trans	-63	-37.2	171.8	-173.8	0	0	0	0	112.7	K703 V704 K705 I709 T711	K703-S707 PolarHBondContact O-N 2.86Å; K703-S707 VanDerWaalsContact O-N 3.1Å; V704-S707 WeakPolarHBondContact O-CB 3.25Å; V704-S707 PolarHBondContact O-N 2.79Å; K705-S707 VanDerWaalsContact C-N 3.3Å; K705-S707 PolarHBondContact O-N 3.15Å; S707-I709 VanDerWaalsContact C-N 3.35Å; S707-I709 PolarHBondContact O-N 2.88Å; S707-T711 PolarHBondContact O-OG1 3.44Å
708	A	80.5	Confident	87.5	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-33.5	177	0	0	0	0	0	113.4	V704 K705 Q706 G710 T711 F716 R770	V704-A708 PolarHBondContact O-N 2.86Å; K705-A708 WeakPolarHBondContact O-CA 3.14Å; K705-A708 VanDerWaalsContact O-CB 3.25Å; K705-A708 WeakPolarHBondContact O-CB 3.47Å; K705-A708 PolarHBondContact O-N 3.47Å; Q706-A708 VanDerWaalsContact C-N 3.33Å; A708-G710 VanDerWaalsContact C-N 3.3Å; A708-G710 PolarHBondContact O-N 3.38Å; A708-T711 CarbonylContact O-C 3.02Å; A708-T711 PolarHBondContact O-N 3.21Å; A708-T711 VanDerWaalsContact O-O 3.11Å; A708-F716 HydrophobicContact CB-CD2 4.41Å; A708-F716 HydrophobicContact CB-CE2 3.69Å; A708-R770 HydrophobicContact CB-CB 3.85Å
709	I	77.3	Confident	87.7	Confident	113 Å²	113	50.5 Å²	50.5	58%	0.579	26%	0.261	S	S	*	.	H	α-helix	trans	-58.8	-40.8	-178.2	-65.9	169.3	0	0	0	111.8	K705 Q706 S707 T711	K705-I709 PolarHBondContact O-N 2.9Å; K705-I709 VanDerWaalsContact O-N 3.14Å; Q706-I709 PolarHBondContact O-N 3.21Å; S707-I709 VanDerWaalsContact C-N 3.35Å; S707-I709 PolarHBondContact O-N 2.88Å; I709-T711 VanDerWaalsContact C-N 3.29Å; I709-T711 PolarHBondContact O-N 3.46Å
710	G	76	Confident	87.9	Confident	71 Å²	71	47.9 Å²	47.9	73%	0.732	25%	0.247	S	C	*	.	H	α-helix	trans	-74.6	-18.7	176.6	0	0	0	0	0	113.9	A708	A708-G710 VanDerWaalsContact C-N 3.3Å; A708-G710 PolarHBondContact O-N 3.38Å
711	T	75.8	Confident	88	Confident	44 Å²	44	47.5 Å²	47.5	27%	0.27	25%	0.245	S	C	.	.	S	Bend	trans	-124	78	-172.3	52.2	0	0	0	0	110.7	S707 A708 I709 R714	S707-T711 PolarHBondContact O-OG1 3.44Å; A708-T711 CarbonylContact O-C 3.02Å; A708-T711 PolarHBondContact O-N 3.21Å; A708-T711 VanDerWaalsContact O-O 3.11Å; I709-T711 VanDerWaalsContact C-N 3.29Å; I709-T711 PolarHBondContact O-N 3.46Å; T711-R714 VanDerWaalsContact CB-CZ 3.41Å; T711-R714 WeakPolarHBondContact O-CB 3.26Å; T711-R714 VanDerWaalsContact OG1-CZ 3.24Å; T711-R714 PolarHBondContact OG1-NH1 2.87Å
712	K	79.7	Confident	88	Confident	157 Å²	157	47.5 Å²	47.5	68%	0.683	25%	0.245	S	C	*	.	S	Bend	trans	-48.6	147.5	179.2	-59	-173.2	175.5	-177.4	0	112.5
713	R	85.8	Confident	88.2	Confident	105 Å²	105	48 Å²	48	40%	0.396	25%	0.253	S	S	.	.	S	Bend	trans	56	60.9	179.5	-53.9	-169	-175.3	-173.1	-5.2	112.9	M764 Q769 E799 F800 S801	R713-M764 HydrophobicContact CB-SD 4.08Å; R713-M764 HydrophobicContact CG-SD 4.28Å; R713-Q769 WeakPolarHBondContact CA-O 3.47Å; R713-Q769 PolarHBondContact N-O 3.23Å; R713-E799 WeakPolarHBondContact CB-O 3.36Å; R713-E799 WeakPolarHBondContact CD-O 3.3Å; R713-E799 IonicContact NH1-OE2 2.99Å; R713-E799 PolarHBondContact NH1-OE2 3.34Å; R713-F800 HydrophobicContact CB-CB 4.34Å; R713-F800 WeakPolarHBondContact O-CA 3.36Å; R713-F800 WeakPolarHBondContact O-CB 3.21Å; R713-S801 PolarHBondContact O-N 3.37Å; R713-S801 PolarHBondContact O-OG 2.9Å
714	R	90	Very high	88.4	Confident	49 Å²	49	46.3 Å²	46.3	19%	0.185	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.6	179.1	-172.5	167.3	-72.4	173.1	1.8	113.5	T711 F716 Q769 R770 Y771 S801	T711-R714 VanDerWaalsContact CB-CZ 3.41Å; T711-R714 WeakPolarHBondContact O-CB 3.26Å; T711-R714 VanDerWaalsContact OG1-CZ 3.24Å; T711-R714 PolarHBondContact OG1-NH1 2.87Å; R714-F716 HydrophobicContact CB-CE2 4.2Å; R714-F716 VanDerWaalsContact CD-CE2 3.41Å; R714-F716 HydrophobicContact CG-CD2 4.01Å; R714-F716 HydrophobicContact CG-CE2 3.52Å; R714-F716 HydrophobicContact CG-CZ 3.92Å; R714-Q769 PolarHBondContact N-O 2.9Å; R714-R770 CarbonylContact O-C 3.01Å; R714-R770 VanDerWaalsContact O-CA 3.25Å; R714-R770 WeakPolarHBondContact O-CA 3.2Å; R714-Y771 PolarHBondContact O-N 3.45Å; R714-S801 CarbonylContact C-O 3.6Å; R714-S801 VanDerWaalsContact CA-O 3.31Å; R714-S801 WeakPolarHBondContact CA-O 3.34Å; R714-S801 WeakPolarHBondContact CG-O 3.18Å; R714-S801 PolarHBondContact NE-OG 2.95Å
715	V	92	Very high	88.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.1	172.3	-175.6	0	0	0	0	109.1	I760 M764 Y771 F792 F800 S801 T802 R803	V715-I760 HydrophobicContact CG1-CD1 4.5Å; V715-I760 HydrophobicContact CG2-CG2 3.65Å; V715-M764 HydrophobicContact CG2-CE 4.05Å; V715-Y771 CarbonylContact C-O 3.58Å; V715-Y771 WeakPolarHBondContact CA-O 3.17Å; V715-Y771 HydrophobicContact CG1-CD1 4.41Å; V715-F792 HydrophobicContact CG1-CD2 3.95Å; V715-F792 HydrophobicContact CG1-CE2 4.07Å; V715-F800 HydrophobicContact CB-CD2 4.24Å; V715-F800 HydrophobicContact CB-CE2 4.42Å; V715-F800 HydrophobicContact CG2-CB 4.33Å; V715-F800 HydrophobicContact CG2-CD2 3.34Å; V715-F800 HydrophobicContact CG2-CE2 3.6Å; V715-F800 HydrophobicContact CG2-CG 3.83Å; V715-F800 HydrophobicContact CG2-CZ 4.28Å; V715-S801 PolarHBondContact N-O 2.98Å; V715-T802 HydrophobicContact CB-CG2 4.29Å; V715-T802 HydrophobicContact CG1-CG2 4.38Å; V715-T802 CarbonylContact O-C 3.38Å; V715-T802 WeakPolarHBondContact O-CA 3.43Å; V715-R803 PolarHBondContact O-N 2.85Å
716	F	93.5	Very high	89.2	Confident	16 Å²	16	45.7 Å²	45.7	7%	0.07	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.2	171.8	-72.3	-88.4	0	0	0	110.5	V704 A708 R714 V718 Y771 I772 I773 R803	V704-F716 HydrophobicContact CG1-CB 3.95Å; V704-F716 HydrophobicContact CG1-CD1 3.46Å; V704-F716 VanDerWaalsContact CG1-CD1 3.46Å; V704-F716 HydrophobicContact CG1-CD2 3.71Å; V704-F716 HydrophobicContact CG1-CE1 3.74Å; V704-F716 HydrophobicContact CG1-CE2 3.98Å; V704-F716 HydrophobicContact CG1-CG 3.42Å; V704-F716 VanDerWaalsContact CG1-CG 3.42Å; V704-F716 HydrophobicContact CG1-CZ 3.97Å; A708-F716 HydrophobicContact CB-CD2 4.41Å; A708-F716 HydrophobicContact CB-CE2 3.69Å; R714-F716 HydrophobicContact CB-CE2 4.2Å; R714-F716 VanDerWaalsContact CD-CE2 3.41Å; R714-F716 HydrophobicContact CG-CD2 4.01Å; R714-F716 HydrophobicContact CG-CE2 3.52Å; R714-F716 HydrophobicContact CG-CZ 3.92Å; F716-V718 HydrophobicContact CB-CG2 4.43Å; F716-Y771 PolarHBondContact N-O 3.39Å; F716-I772 HydrophobicContact CB-CG1 4.42Å; F716-I772 WeakPolarHBondContact O-CA 3.36Å; F716-I773 PolarHBondContact O-N 3.18Å; F716-R803 CarbonylContact C-O 3.51Å; F716-R803 WeakPolarHBondContact CA-O 3.18Å; F716-R803 HydrophobicContact CD1-CB 3.86Å; F716-R803 HydrophobicContact CE1-CB 3.86Å; F716-R803 HydrophobicContact CE1-CG 4.47Å
717	I	95	Very high	89.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	113.7	169.8	-55.7	162.3	0	0	0	106.7	I773 T785 I788 M789 T802 R803 I804 N805	I717-I773 CarbonylContact C-O 3.54Å; I717-I773 WeakPolarHBondContact CA-O 3.18Å; I717-T785 HydrophobicContact CG2-CG2 3.99Å; I717-I788 HydrophobicContact CD1-CB 4.08Å; I717-I788 HydrophobicContact CD1-CG2 3.66Å; I717-I788 HydrophobicContact CG1-CG2 4.49Å; I717-M789 HydrophobicContact CD1-CB 4.05Å; I717-T802 HydrophobicContact CD1-CG2 3.7Å; I717-T802 HydrophobicContact CG1-CG2 4.18Å; I717-R803 PolarHBondContact N-O 2.96Å; I717-I804 HydrophobicContact CB-CG2 4.34Å; I717-I804 CarbonylContact O-C 3.6Å; I717-I804 VanDerWaalsContact O-CA 3.32Å; I717-I804 WeakPolarHBondContact O-CA 3.45Å; I717-N805 PolarHBondContact O-N 2.95Å
718	V	96	Very high	90.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.8	-175.1	-176.4	0	0	0	0	109	I701 F716 I772 I773 M774 R775 N805 L807	I701-V718 HydrophobicContact CG1-CG1 4.41Å; F716-V718 HydrophobicContact CB-CG2 4.43Å; V718-I772 HydrophobicContact CG2-CG2 4.02Å; V718-I773 PolarHBondContact N-O 2.84Å; V718-M774 HydrophobicContact CB-CE 3.81Å; V718-M774 HydrophobicContact CB-SD 3.84Å; V718-M774 HydrophobicContact CG1-CE 3.64Å; V718-M774 HydrophobicContact CG1-SD 4.25Å; V718-M774 HydrophobicContact CG2-SD 4.4Å; V718-M774 CarbonylContact O-C 3.51Å; V718-M774 WeakPolarHBondContact O-CA 3.31Å; V718-R775 PolarHBondContact O-N 3.3Å; V718-N805 CarbonylContact C-O 3.58Å; V718-N805 WeakPolarHBondContact CA-O 3.47Å; V718-L807 HydrophobicContact CG1-CD1 3.68Å; V718-L807 HydrophobicContact CG1-CD2 3.86Å; V718-L807 HydrophobicContact CG1-CG 3.71Å
719	E	97.1	Very high	91.1	Very high	38 Å²	38	35.5 Å²	35.5	18%	0.178	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120.5	178.7	-171.2	177.1	98.3	0	0	110.6	R775 E777 T785 N805 V806 L807	E719-R775 CarbonylContact C-O 3.54Å; E719-R775 WeakPolarHBondContact CA-O 3.32Å; E719-R775 IonicContact OE2-NH1 2.68Å; E719-R775 PolarHBondContact OE2-NH1 2.82Å; E719-E777 HydrophobicContact CG-CB 4.41Å; E719-T785 HydrophobicContact CB-CG2 4.48Å; E719-T785 VanDerWaalsContact OE2-CB 3.3Å; E719-T785 WeakPolarHBondContact OE2-CB 3.34Å; E719-T785 PolarHBondContact OE2-OG1 3.37Å; E719-N805 PolarHBondContact N-O 3.17Å; E719-V806 HydrophobicContact CB-CB 4.43Å; E719-V806 HydrophobicContact CB-CG1 4.4Å; E719-V806 HydrophobicContact CB-CG2 4.08Å; E719-V806 WeakPolarHBondContact OE1-CG1 3.26Å; E719-L807 PolarHBondContact O-N 2.82Å
720	T	96.9	Very high	91.9	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	152	173.5	59	0	0	0	0	111	I697 M774 R775 E777 L807 Q811	I697-T720 HydrophobicContact CD1-CG2 4.13Å; I697-T720 HydrophobicContact CG2-CG2 4.24Å; T720-M774 HydrophobicContact CG2-CE 3.4Å; T720-R775 PolarHBondContact N-O 2.97Å; T720-R775 PolarHBondContact OG1-O 2.88Å; T720-E777 PolarHBondContact O-N 3.28Å; T720-L807 HydrophobicContact CG2-CD1 4.4Å; T720-Q811 VanDerWaalsContact CA-OE1 3.23Å
721	M	96.6	Very high	92.7	Very high	32 Å²	32	26.8 Å²	26.8	16%	0.158	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-71.3	172.8	164.2	-73.9	172.4	82.6	0	0	110.3	I677 L728 E777 Q811	I677-M721 HydrophobicContact CD1-CB 4.16Å; I677-M721 HydrophobicContact CD1-CE 4.31Å; I677-M721 HydrophobicContact CD1-SD 4.15Å; M721-L728 WeakPolarHBondContact O-CD1 3.45Å; M721-E777 VanDerWaalsContact CA-OE1 3.24Å; M721-E777 WeakPolarHBondContact CA-OE1 3.36Å; M721-Q811 VanDerWaalsContact CG-NE2 3.34Å; M721-Q811 VanDerWaalsContact N-NE2 3.14Å
722	G	93	Very high	93.6	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.01	11%	0.11	C	C	.	.			trans	151.9	-11.9	178.3	0	0	0	0	0	113.2	Y724 C725 E777	G722-Y724 PolarHBondContact O-N 3.28Å; G722-C725 WeakPolarHBondContact O-CB 3.5Å; G722-C725 PolarHBondContact O-N 3.4Å; G722-C725 VanDerWaalsContact O-N 3.12Å; G722-E777 PolarHBondContact N-OE1 3.42Å
723	G	93.6	Very high	94.1	Very high	23 Å²	23	17.2 Å²	17.2	24%	0.237	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	-130.8	-160.6	0	0	0	0	0	109.8	C725 S776 E777 S778	G723-C725 PolarHBondContact O-N 3.33Å; G723-S776 PolarHBondContact O-OG 3.4Å; G723-S776 VanDerWaalsContact O-OG 3.13Å; G723-E777 PolarHBondContact N-OE1 3.47Å; G723-S778 WeakPolarHBondContact O-CB 3.42Å
724	Y	94.9	Very high	94.3	Very high	94 Å²	94	12.4 Å²	12.4	37%	0.369	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	1.1	175.6	-62.5	-79.3	0	0	0	114.2	G722 F744 H883	G722-Y724 PolarHBondContact O-N 3.28Å; Y724-F744 HydrophobicContact CD1-CB 4.5Å; Y724-F744 HydrophobicContact CD1-CD1 4.12Å; Y724-F744 AromaticContact CD1-CD2 3.64Å; Y724-F744 HydrophobicContact CD1-CD2 3.64Å; Y724-F744 HydrophobicContact CD1-CE1 4.23Å; Y724-F744 AromaticContact CD1-CE2 3.77Å; Y724-F744 HydrophobicContact CD1-CE2 3.77Å; Y724-F744 AromaticContact CD1-CG 3.82Å; Y724-F744 HydrophobicContact CD1-CG 3.82Å; Y724-F744 HydrophobicContact CD1-CZ 4.06Å; Y724-F744 HydrophobicContact CE1-CD2 4.28Å; Y724-F744 HydrophobicContact CE1-CE2 4.18Å; Y724-F744 HydrophobicContact CG-CD1 4.43Å; Y724-F744 HydrophobicContact CG-CG 4.48Å; Y724-F744 WeakPolarHBondContact O-CB 3.4Å; Y724-F744 WeakPolarHBondContact O-CD1 3.31Å; Y724-H883 AromaticContact CD1-CD2 3.85Å; Y724-H883 HydrophobicContact CD2-CB 4.01Å; Y724-H883 VanDerWaalsContact CD2-O 3.29Å; Y724-H883 WeakPolarHBondContact CD2-O 3.48Å; Y724-H883 AromaticContact CE1-CD2 3.89Å; Y724-H883 HydrophobicContact CG-CB 3.88Å
725	C	95.9	Very high	94.3	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.051	C	C	.	.			trans	-92	119.6	175.8	-173.2	0	0	0	0	111.3	S678 N680 G722 G723 Y727 E745 V885 Q889	S678-C725 PolarHBondContact O-SG 3.02Å; N680-C725 HydrophobicContact CB-CB 3.74Å; G722-C725 WeakPolarHBondContact O-CB 3.5Å; G722-C725 PolarHBondContact O-N 3.4Å; G722-C725 VanDerWaalsContact O-N 3.12Å; G723-C725 PolarHBondContact O-N 3.33Å; C725-Y727 PolarHBondContact O-N 2.89Å; C725-Y727 VanDerWaalsContact SG-CB 3.56Å; C725-E745 WeakPolarHBondContact CA-OE1 3.07Å; C725-V885 HydrophobicContact CB-CG1 4.01Å; C725-Q889 PolarHBondContact SG-OE1 2.85Å
726	G	95.1	Very high	94.1	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.051	C	C	.	.			trans	-78	5	177.5	0	0	0	0	0	115.7	A729 T730 E745 W891	G726-A729 PolarHBondContact O-N 3.25Å; G726-T730 WeakPolarHBondContact O-CB 3.24Å; G726-T730 PolarHBondContact O-N 2.72Å; G726-T730 PolarHBondContact O-OG1 2.96Å; G726-E745 WeakPolarHBondContact CA-OE2 3.42Å; G726-E745 PolarHBondContact N-OE1 2.77Å; G726-E745 PolarHBondContact N-OE2 3.09Å; G726-E745 VanDerWaalsContact N-OE2 3.08Å; G726-W891 VanDerWaalsContact CA-CH2 3.42Å
727	Y	96.1	Very high	93.5	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.008	6%	0.06	C	C	.	.	H	α-helix	trans	-54.4	-56.6	-176.5	174.4	-101.2	0	0	0	112.1	N679 L694 C725 A729 T730 V731 W890 W891	N679-Y727 HydrophobicContact CB-CD1 3.4Å; N679-Y727 VanDerWaalsContact CB-CD1 3.4Å; N679-Y727 HydrophobicContact CB-CD2 4.15Å; N679-Y727 HydrophobicContact CB-CE1 3.73Å; N679-Y727 HydrophobicContact CB-CE2 4.4Å; N679-Y727 HydrophobicContact CB-CG 3.64Å; N679-Y727 WeakPolarHBondContact ND2-CD2 3.33Å; N679-Y727 WeakPolarHBondContact ND2-CE2 3.31Å; L694-Y727 HydrophobicContact CD1-CE1 3.84Å; L694-Y727 WeakPolarHBondContact CD1-OH 3.42Å; L694-Y727 HydrophobicContact CG-CE1 4.32Å; C725-Y727 PolarHBondContact O-N 2.89Å; C725-Y727 VanDerWaalsContact SG-CB 3.56Å; Y727-A729 PolarHBondContact O-N 2.75Å; Y727-T730 PolarHBondContact O-N 2.8Å; Y727-V731 HydrophobicContact CD2-CG2 3.69Å; Y727-V731 HydrophobicContact CE2-CB 4.33Å; Y727-V731 HydrophobicContact CE2-CG2 3.61Å; Y727-V731 HydrophobicContact CG-CG2 4.39Å; Y727-V731 VanDerWaalsContact O-CB 3.28Å; Y727-V731 WeakPolarHBondContact O-CB 3.19Å; Y727-V731 WeakPolarHBondContact O-CG2 3.34Å; Y727-V731 PolarHBondContact O-N 2.74Å; Y727-W890 AromaticContact CE2-CZ2 3.92Å; Y727-W890 HydrophobicContact CE2-CZ2 3.92Å; Y727-W891 HydrophobicContact CD2-CB 4.03Å; Y727-W891 AromaticContact CD2-CD1 3.5Å; Y727-W891 VanDerWaalsContact CD2-CD1 3.5Å; Y727-W891 HydrophobicContact CD2-CD2 4.24Å; Y727-W891 AromaticContact CD2-CG 3.65Å; Y727-W891 HydrophobicContact CD2-CG 3.65Å; Y727-W891 AromaticContact CD2-NE1 3.95Å; Y727-W891 HydrophobicContact CE2-CB 4.42Å; Y727-W891 HydrophobicContact CE2-CG 4.46Å; Y727-W891 VanDerWaalsContact N-CZ2 3.29Å
728	L	96.7	Very high	93.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.7	-45.6	-177.2	-72.7	179.1	0	0	0	111.2	I677 A693 L694 I697 M721 S732	I677-L728 HydrophobicContact CB-CD1 4.33Å; I677-L728 HydrophobicContact CD1-CD1 4.4Å; I677-L728 HydrophobicContact CG1-CD1 4.24Å; I677-L728 WeakPolarHBondContact O-CD2 3.21Å; A693-L728 HydrophobicContact CB-CD2 3.9Å; L694-L728 HydrophobicContact CD2-CD2 3.88Å; L694-L728 HydrophobicContact CG-CD2 4.03Å; I697-L728 HydrophobicContact CD1-CB 4.1Å; I697-L728 HydrophobicContact CD1-CD1 4.39Å; I697-L728 HydrophobicContact CD1-CD2 4.01Å; I697-L728 HydrophobicContact CD1-CG 4.4Å; M721-L728 WeakPolarHBondContact O-CD1 3.45Å; L728-S732 WeakPolarHBondContact O-CB 3.16Å; L728-S732 PolarHBondContact O-N 2.87Å; L728-S732 PolarHBondContact O-OG 2.88Å
729	A	95.3	Very high	92.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.3	-48.9	177.4	0	0	0	0	0	112.5	G726 Y727 S732 A733 I743 M774	G726-A729 PolarHBondContact O-N 3.25Å; Y727-A729 PolarHBondContact O-N 2.75Å; A729-S732 PolarHBondContact O-OG 2.98Å; A729-A733 WeakPolarHBondContact O-CB 3.45Å; A729-A733 PolarHBondContact O-N 3.05Å; A729-I743 HydrophobicContact CB-CG2 3.89Å; A729-M774 HydrophobicContact CB-CB 4.25Å
730	T	94.1	Very high	92.3	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.006	7%	0.067	C	C	.	.	H	α-helix	trans	-71.7	-46.3	-176.1	-64.9	0	0	0	0	112.5	G726 Y727 A733 L734 W891 R895 L898	G726-T730 WeakPolarHBondContact O-CB 3.24Å; G726-T730 PolarHBondContact O-N 2.72Å; G726-T730 PolarHBondContact O-OG1 2.96Å; Y727-T730 PolarHBondContact O-N 2.8Å; T730-A733 WeakPolarHBondContact O-CB 3.07Å; T730-A733 PolarHBondContact O-N 3.11Å; T730-L734 PolarHBondContact O-N 3.46Å; T730-W891 HydrophobicContact CG2-CE3 3.98Å; T730-W891 HydrophobicContact CG2-CZ3 4.21Å; T730-W891 WeakPolarHBondContact OG1-CZ3 3.14Å; T730-R895 VanDerWaalsContact CG2-CD 3.42Å; T730-R895 HydrophobicContact CG2-CG 4.26Å; T730-R895 WeakPolarHBondContact OG1-CD 3.4Å; T730-R895 PolarHBondContact OG1-NH1 3.2Å; T730-L898 HydrophobicContact CG2-CD2 4.46Å
731	V	93.9	Very high	92.1	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-75.3	-36.8	-174.5	177.5	0	0	0	0	111	Q454 L694 Y727 L734 A735 W891	Q454-V731 HydrophobicContact CG-CG1 3.97Å; L694-V731 HydrophobicContact CD1-CB 4.39Å; L694-V731 HydrophobicContact CD1-CG1 3.62Å; L694-V731 HydrophobicContact CD2-CB 3.97Å; L694-V731 HydrophobicContact CD2-CG1 3.88Å; L694-V731 HydrophobicContact CG-CG1 4.43Å; Y727-V731 HydrophobicContact CD2-CG2 3.69Å; Y727-V731 HydrophobicContact CE2-CB 4.33Å; Y727-V731 HydrophobicContact CE2-CG2 3.61Å; Y727-V731 HydrophobicContact CG-CG2 4.39Å; Y727-V731 VanDerWaalsContact O-CB 3.28Å; Y727-V731 WeakPolarHBondContact O-CB 3.19Å; Y727-V731 WeakPolarHBondContact O-CG2 3.34Å; Y727-V731 PolarHBondContact O-N 2.74Å; V731-L734 PolarHBondContact O-N 3.32Å; V731-A735 VanDerWaalsContact O-CB 3.32Å; V731-A735 WeakPolarHBondContact O-CB 3.34Å; V731-A735 PolarHBondContact O-N 2.86Å; V731-W891 HydrophobicContact CG2-CB 4.23Å
732	S	93.7	Very high	92	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-70.6	-29.9	170.3	71	0	0	0	0	112.8	I697 L728 A729 A735 S736	I697-S732 VanDerWaalsContact CG2-CB 3.43Å; I697-S732 WeakPolarHBondContact CG2-OG 3.31Å; L728-S732 WeakPolarHBondContact O-CB 3.16Å; L728-S732 PolarHBondContact O-N 2.87Å; L728-S732 PolarHBondContact O-OG 2.88Å; A729-S732 PolarHBondContact O-OG 2.98Å; S732-A735 PolarHBondContact O-N 2.79Å; S732-S736 WeakPolarHBondContact O-CB 3.41Å; S732-S736 PolarHBondContact O-N 2.87Å; S732-S736 PolarHBondContact O-OG 2.95Å
733	A	92	Very high	92	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.9	-47.3	171	0	0	0	0	0	111.3	A729 T730 G737 A738 A741 M774 L898	A729-A733 WeakPolarHBondContact O-CB 3.45Å; A729-A733 PolarHBondContact O-N 3.05Å; T730-A733 WeakPolarHBondContact O-CB 3.07Å; T730-A733 PolarHBondContact O-N 3.11Å; A733-G737 WeakPolarHBondContact O-CA 3.45Å; A733-G737 PolarHBondContact O-N 3.43Å; A733-A738 HydrophobicContact CB-CB 3.95Å; A733-A738 PolarHBondContact O-N 3.27Å; A733-A741 HydrophobicContact CB-CB 3.94Å; A733-M774 HydrophobicContact CB-CB 4.46Å; A733-M774 HydrophobicContact CB-CG 3.68Å; A733-L898 HydrophobicContact CB-CD1 3.84Å; A733-L898 HydrophobicContact CB-CD2 3.8Å
734	L	89.3	Confident	92.1	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.021	6%	0.062	C	C	.	.	H	α-helix	trans	-62.3	-49	175.4	-177.7	63.6	0	0	0	111.7	I162 I203 T730 V731 S736 G737 L894 L897 L901	I162-L734 HydrophobicContact CD1-CD1 4.46Å; I203-L734 WeakPolarHBondContact CD1-O 3.19Å; T730-L734 PolarHBondContact O-N 3.46Å; V731-L734 PolarHBondContact O-N 3.32Å; L734-S736 PolarHBondContact O-N 2.9Å; L734-G737 PolarHBondContact O-N 3.24Å; L734-L894 HydrophobicContact CD2-CB 4.49Å; L734-L894 HydrophobicContact CD2-CD1 4.2Å; L734-L897 HydrophobicContact CD1-CD2 4.19Å; L734-L897 HydrophobicContact CD1-CG 4.29Å; L734-L897 HydrophobicContact CD2-CD2 4.4Å; L734-L901 HydrophobicContact CD1-CD1 3.56Å
735	A	89.7	Confident	92	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-66.4	-34.1	-178.6	0	0	0	0	0	113.3	I203 R453 Q454 V731 S732	I203-A735 WeakPolarHBondContact CD1-O 3.08Å; R453-A735 HydrophobicContact CB-CB 3.99Å; R453-A735 WeakPolarHBondContact CD-O 3.45Å; Q454-A735 HydrophobicContact CG-CB 4.04Å; V731-A735 VanDerWaalsContact O-CB 3.32Å; V731-A735 WeakPolarHBondContact O-CB 3.34Å; V731-A735 PolarHBondContact O-N 2.86Å; S732-A735 PolarHBondContact O-N 2.79Å
736	S	87.2	Confident	91.7	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-94.1	-9.9	-179.5	71.7	0	0	0	0	113.7	I203 I701 K705 S732 L734	I203-S736 WeakPolarHBondContact CG2-O 2.94Å; I701-S736 WeakPolarHBondContact CD1-OG 3.4Å; K705-S736 WeakPolarHBondContact CE-O 3.14Å; K705-S736 PolarHBondContact NZ-O 3.24Å; S732-S736 WeakPolarHBondContact O-CB 3.41Å; S732-S736 PolarHBondContact O-N 2.87Å; S732-S736 PolarHBondContact O-OG 2.95Å; L734-S736 PolarHBondContact O-N 2.9Å
737	G	82.7	Confident	91.4	Very high	25 Å²	25	17.8 Å²	17.8	26%	0.258	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	47.2	-173.5	0	0	0	0	0	111.7	A733 L734	A733-G737 WeakPolarHBondContact O-CA 3.45Å; A733-G737 PolarHBondContact O-N 3.43Å; L734-G737 PolarHBondContact O-N 3.24Å
738	A	86.5	Confident	91.2	Very high	7 Å²	7	18.6 Å²	18.6	6%	0.058	11%	0.105	C	C	.	.			trans	-77	154	164.5	0	0	0	0	0	110	A733 I772 M774	A733-A738 HydrophobicContact CB-CB 3.95Å; A733-A738 PolarHBondContact O-N 3.27Å; A738-I772 HydrophobicContact CB-CB 4.05Å; A738-I772 HydrophobicContact CB-CG2 3.83Å; A738-M774 HydrophobicContact CB-CG 3.85Å; A738-M774 HydrophobicContact CB-SD 4.09Å
739	D	85.9	Confident	90.9	Very high	21 Å²	21	21.7 Å²	21.7	11%	0.112	12%	0.122	C	C	.	.	S	Bend	trans	-88.8	-29.2	-169.7	-57.3	-89.6	0	0	0	113.1	Y771 I772 S902	D739-Y771 HydrophobicContact CB-CD1 3.99Å; D739-Y771 HydrophobicContact CB-CD2 3.68Å; D739-Y771 HydrophobicContact CB-CE1 3.62Å; D739-Y771 HydrophobicContact CB-CE2 3.28Å; D739-Y771 HydrophobicContact CB-CG 4.03Å; D739-Y771 VanDerWaalsContact CG-CD2 3.45Å; D739-Y771 WeakPolarHBondContact OD2-CA 3.3Å; D739-I772 PolarHBondContact N-O 3.13Å; D739-I772 PolarHBondContact OD2-N 2.81Å; D739-S902 WeakPolarHBondContact O-CB 3.4Å; D739-S902 PolarHBondContact O-OG 3.45Å; D739-S902 VanDerWaalsContact O-OG 3.06Å
740	N	88.9	Confident	90.7	Very high	30 Å²	30	24.7 Å²	24.7	16%	0.16	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	163.6	172.5	-156.2	-6.9	0	0	0	111	D756 I772 I773 M774	N740-D756 VanDerWaalsContact ND2-CG 3.29Å; N740-D756 PolarHBondContact ND2-OD1 3.37Å; N740-D756 PolarHBondContact ND2-OD2 3.19Å; N740-I772 PolarHBondContact N-O 2.9Å; N740-I773 HydrophobicContact CB-CG1 4.34Å; N740-I773 WeakPolarHBondContact O-CA 3.46Å; N740-M774 PolarHBondContact O-N 3.3Å
741	A	92.7	Very high	90.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	111.2	176.6	0	0	0	0	0	111.8	A733 M774 R895 L898	A733-A741 HydrophobicContact CB-CB 3.94Å; A741-M774 CarbonylContact C-O 3.6Å; A741-M774 VanDerWaalsContact CA-O 3.24Å; A741-M774 WeakPolarHBondContact CA-O 3.17Å; A741-M774 HydrophobicContact CB-CB 3.91Å; A741-R895 PolarHBondContact O-NH1 3.02Å; A741-R895 PolarHBondContact O-NH2 2.91Å; A741-L898 HydrophobicContact CB-CD2 3.91Å
742	Y	94.4	Very high	90.3	Very high	10 Å²	10	32.7 Å²	32.7	4%	0.039	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	126.1	172.3	-58.4	-51	0	0	0	110.7	F748 D756 I773 M774 R775 S776 I788	Y742-F748 HydrophobicContact CD1-CD1 4.24Å; Y742-F748 HydrophobicContact CD1-CD2 4.07Å; Y742-F748 HydrophobicContact CD1-CE1 4.5Å; Y742-F748 HydrophobicContact CD1-CE2 4.29Å; Y742-F748 HydrophobicContact CD1-CG 4.04Å; Y742-F748 HydrophobicContact CE1-CD2 4.37Å; Y742-F748 HydrophobicContact CG-CD2 4.47Å; Y742-F748 HydrophobicContact CG-CE1 4.37Å; Y742-F748 HydrophobicContact CG-CE2 4.24Å; Y742-F748 HydrophobicContact CG-CZ 4.19Å; Y742-D756 WeakPolarHBondContact CE1-OD2 3.46Å; Y742-D756 PolarHBondContact OH-OD2 3.39Å; Y742-I773 HydrophobicContact CD2-CG2 3.67Å; Y742-I773 HydrophobicContact CE2-CD1 4.3Å; Y742-I773 HydrophobicContact CE2-CG2 3.58Å; Y742-I773 HydrophobicContact CG-CG2 4.49Å; Y742-M774 PolarHBondContact N-O 3.44Å; Y742-R775 WeakPolarHBondContact O-CA 3.32Å; Y742-S776 PolarHBondContact O-N 3.44Å; Y742-I788 HydrophobicContact CD2-CD1 3.89Å; Y742-I788 HydrophobicContact CE2-CD1 3.96Å; Y742-I788 HydrophobicContact CE2-CG2 4.32Å
743	I	94.8	Very high	90.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	18%	0.183	C	C	.	.			trans	-134.8	168.8	-176	61	173.2	0	0	0	110.1	A729 E745 E746 W891 L892	A729-I743 HydrophobicContact CB-CG2 3.89Å; I743-E745 HydrophobicContact CD1-CB 4.17Å; I743-E746 HydrophobicContact CD1-CB 4.27Å; I743-E746 HydrophobicContact CD1-CG 4.13Å; I743-E746 HydrophobicContact CG1-CB 3.93Å; I743-E746 HydrophobicContact CG1-CG 4.35Å; I743-W891 HydrophobicContact CD1-CH2 4.08Å; I743-W891 HydrophobicContact CD1-CZ3 3.94Å; I743-L892 HydrophobicContact CD1-CD2 4.1Å
744	F	94.6	Very high	90	Very high	62 Å²	62	37.2 Å²	37.2	27%	0.272	20%	0.203	S	C	.	.	S	Bend	trans	-77.1	-34.6	179.7	170.7	-108.2	0	0	0	111.7	Y724 E746 H883	Y724-F744 HydrophobicContact CD1-CB 4.5Å; Y724-F744 HydrophobicContact CD1-CD1 4.12Å; Y724-F744 AromaticContact CD1-CD2 3.64Å; Y724-F744 HydrophobicContact CD1-CD2 3.64Å; Y724-F744 HydrophobicContact CD1-CE1 4.23Å; Y724-F744 AromaticContact CD1-CE2 3.77Å; Y724-F744 HydrophobicContact CD1-CE2 3.77Å; Y724-F744 AromaticContact CD1-CG 3.82Å; Y724-F744 HydrophobicContact CD1-CG 3.82Å; Y724-F744 HydrophobicContact CD1-CZ 4.06Å; Y724-F744 HydrophobicContact CE1-CD2 4.28Å; Y724-F744 HydrophobicContact CE1-CE2 4.18Å; Y724-F744 HydrophobicContact CG-CD1 4.43Å; Y724-F744 HydrophobicContact CG-CG 4.48Å; Y724-F744 WeakPolarHBondContact O-CB 3.4Å; Y724-F744 WeakPolarHBondContact O-CD1 3.31Å; F744-E746 VanDerWaalsContact C-N 3.26Å; F744-E746 PolarHBondContact O-N 2.73Å; F744-H883 HydrophobicContact CE1-CB 4.07Å; F744-H883 AromaticContact CE1-CD2 3.96Å; F744-H883 AromaticContact CE1-CG 3.75Å; F744-H883 HydrophobicContact CZ-CB 4.4Å; F744-H883 AromaticContact CZ-CD2 3.4Å; F744-H883 WeakPolarHBondContact CZ-CD2 3.37Å; F744-H883 AromaticContact CZ-CE1 3.85Å; F744-H883 AromaticContact CZ-CG 3.62Å; F744-H883 AromaticContact CZ-ND1 3.88Å; F744-H883 AromaticContact CZ-NE2 3.57Å
745	E	92.8	Very high	90	Very high	44 Å²	44	39.7 Å²	39.7	21%	0.206	21%	0.214	C	C	.	.	S	Bend	trans	-72.1	-16.4	-176.2	-58.7	90.9	153.9	0	0	114	C725 G726 I743 Q889 W891 L892	C725-E745 WeakPolarHBondContact CA-OE1 3.07Å; G726-E745 WeakPolarHBondContact CA-OE2 3.42Å; G726-E745 PolarHBondContact N-OE1 2.77Å; G726-E745 PolarHBondContact N-OE2 3.09Å; G726-E745 VanDerWaalsContact N-OE2 3.08Å; I743-E745 HydrophobicContact CD1-CB 4.17Å; E745-Q889 PolarHBondContact OE1-NE2 2.98Å; E745-W891 HydrophobicContact CG-CH2 4.34Å; E745-W891 WeakPolarHBondContact OE1-CH2 3.41Å; E745-W891 WeakPolarHBondContact OE1-CZ2 3.07Å; E745-L892 HydrophobicContact CB-CD1 4.47Å; E745-L892 HydrophobicContact CB-CD2 3.91Å; E745-L892 HydrophobicContact CG-CD2 4.44Å
746	E	89.8	Confident	90	Very high	46 Å²	46	40 Å²	40	22%	0.215	22%	0.216	C	C	.	.	S	Bend	trans	-119.2	91.5	171.2	-73.7	-179.1	-161.3	0	0	108.6	I743 F744 F748 R895 R899	I743-E746 HydrophobicContact CD1-CB 4.27Å; I743-E746 HydrophobicContact CD1-CG 4.13Å; I743-E746 HydrophobicContact CG1-CB 3.93Å; I743-E746 HydrophobicContact CG1-CG 4.35Å; F744-E746 VanDerWaalsContact C-N 3.26Å; F744-E746 PolarHBondContact O-N 2.73Å; E746-F748 PolarHBondContact O-N 3.18Å; E746-R895 WeakPolarHBondContact OE1-CB 3.31Å; E746-R895 VanDerWaalsContact OE1-CG 3.23Å; E746-R895 WeakPolarHBondContact OE1-CG 3.35Å; E746-R895 IonicContact OE1-CZ 3.81Å; E746-R895 IonicContact OE1-NE 3.9Å; E746-R895 PolarHBondContact OE1-NE 2.91Å; E746-R895 IonicContact OE1-NH2 3.55Å; E746-R895 IonicContact OE2-CZ 3.31Å; E746-R895 IonicContact OE2-NE 2.72Å; E746-R895 PolarHBondContact OE2-NE 3.49Å; E746-R895 IonicContact OE2-NH2 3.88Å; E746-R895 PolarHBondContact OE2-NH2 3.49Å; E746-R899 IonicContact OE1-NH2 2.88Å; E746-R899 IonicContact OE2-CZ 2.73Å; E746-R899 IonicContact OE2-NE 3.15Å; E746-R899 IonicContact OE2-NH2 3.51Å; E746-R899 PolarHBondContact OE2-NH2 2.97Å
747	P	89.3	Confident	90.1	Very high	120 Å²	120	40.3 Å²	40.3	78%	0.779	22%	0.218	S	C	*	.			trans	-57.9	135.6	177.4	-24.9	34.6	0	0	0	111.5
748	F	90.7	Very high	90.4	Very high	19 Å²	19	44 Å²	44	8%	0.083	23%	0.229	C	C	.	.			trans	-128.4	151.1	179	60.4	-79.7	0	0	0	110.4	Y742 E746 D752 I753 A779 N780 Y783	Y742-F748 HydrophobicContact CD1-CD1 4.24Å; Y742-F748 HydrophobicContact CD1-CD2 4.07Å; Y742-F748 HydrophobicContact CD1-CE1 4.5Å; Y742-F748 HydrophobicContact CD1-CE2 4.29Å; Y742-F748 HydrophobicContact CD1-CG 4.04Å; Y742-F748 HydrophobicContact CE1-CD2 4.37Å; Y742-F748 HydrophobicContact CG-CD2 4.47Å; Y742-F748 HydrophobicContact CG-CE1 4.37Å; Y742-F748 HydrophobicContact CG-CE2 4.24Å; Y742-F748 HydrophobicContact CG-CZ 4.19Å; E746-F748 PolarHBondContact O-N 3.18Å; F748-D752 WeakPolarHBondContact CA-OD2 3.02Å; F748-D752 HydrophobicContact CB-CB 4.38Å; F748-I753 HydrophobicContact CD2-CD1 3.77Å; F748-I753 HydrophobicContact CD2-CG1 3.8Å; F748-I753 HydrophobicContact CE2-CD1 3.88Å; F748-I753 HydrophobicContact CE2-CG1 4.25Å; F748-A779 HydrophobicContact CE1-CB 4.04Å; F748-A779 HydrophobicContact CZ-CB 4.36Å; F748-N780 HydrophobicContact CE1-CB 4.09Å; F748-N780 HydrophobicContact CE2-CB 4.49Å; F748-N780 HydrophobicContact CZ-CB 3.72Å; F748-Y783 HydrophobicContact CD2-CD2 4.04Å; F748-Y783 AromaticContact CE2-CD2 3.68Å; F748-Y783 HydrophobicContact CE2-CD2 3.68Å; F748-Y783 HydrophobicContact CE2-CG 4.14Å; F748-Y783 HydrophobicContact CZ-CD2 4.29Å; F748-Y783 WeakPolarHBondContact O-CE2 3.45Å
749	N	91.4	Very high	90.4	Very high	66 Å²	66	44.2 Å²	44.2	35%	0.353	23%	0.229	S	C	.	.			trans	-121.7	-177.6	-176.6	69.7	65.6	0	0	0	111.1	D751 D752 I753	N749-D751 VanDerWaalsContact C-N 3.35Å; N749-D751 PolarHBondContact O-N 2.68Å; N749-D751 WeakPolarHBondContact OD1-CA 3.38Å; N749-D751 VanDerWaalsContact OD1-CB 3.27Å; N749-D751 WeakPolarHBondContact OD1-CB 3.42Å; N749-D751 PolarHBondContact OD1-N 3.21Å; N749-D752 VanDerWaalsContact CG-OD2 3.23Å; N749-D752 PolarHBondContact N-OD2 3.21Å; N749-D752 VanDerWaalsContact ND2-CG 3.3Å; N749-D752 PolarHBondContact ND2-OD1 2.62Å; N749-D752 PolarHBondContact ND2-OD2 3.02Å; N749-D752 PolarHBondContact O-N 2.77Å; N749-D752 PolarHBondContact OD1-N 3.24Å; N749-I753 WeakPolarHBondContact O-CD1 3.08Å; N749-I753 VanDerWaalsContact O-CG1 3.26Å; N749-I753 WeakPolarHBondContact O-CG1 3.44Å; N749-I753 PolarHBondContact O-N 3.45Å
750	V	90.7	Very high	90.5	Very high	63 Å²	63	43.2 Å²	43.2	38%	0.382	22%	0.224	S	C	.	.	H	α-helix	trans	-68.7	-31.9	-177.1	179.4	0	0	0	0	112.6	I753 K754 Y783	V750-I753 PolarHBondContact O-N 3.07Å; V750-K754 VanDerWaalsContact O-CB 3.28Å; V750-K754 WeakPolarHBondContact O-CB 3.34Å; V750-K754 PolarHBondContact O-N 3.27Å; V750-Y783 HydrophobicContact CG2-CE1 3.84Å
751	D	90.7	Very high	90.5	Very high	116 Å²	116	42.9 Å²	42.9	62%	0.62	23%	0.225	S	C	*	.	H	α-helix	trans	-69.1	-39.7	177.6	-59.8	-52.1	0	0	0	111.2	N749 I753 K754 E755	N749-D751 VanDerWaalsContact C-N 3.35Å; N749-D751 PolarHBondContact O-N 2.68Å; N749-D751 WeakPolarHBondContact OD1-CA 3.38Å; N749-D751 VanDerWaalsContact OD1-CB 3.27Å; N749-D751 WeakPolarHBondContact OD1-CB 3.42Å; N749-D751 PolarHBondContact OD1-N 3.21Å; D751-I753 PolarHBondContact O-N 3.06Å; D751-K754 WeakPolarHBondContact O-CB 3.21Å; D751-K754 PolarHBondContact O-N 3.29Å; D751-E755 WeakPolarHBondContact O-CB 3.03Å; D751-E755 PolarHBondContact O-N 2.66Å
752	D	88.9	Confident	90.1	Very high	53 Å²	53	47 Å²	47	28%	0.283	24%	0.244	S	C	.	.	H	α-helix	trans	-60.9	-45.7	173.9	-49.7	-40.1	0	0	0	111	F748 N749 K754 E755 D756	F748-D752 WeakPolarHBondContact CA-OD2 3.02Å; F748-D752 HydrophobicContact CB-CB 4.38Å; N749-D752 VanDerWaalsContact CG-OD2 3.23Å; N749-D752 PolarHBondContact N-OD2 3.21Å; N749-D752 VanDerWaalsContact ND2-CG 3.3Å; N749-D752 PolarHBondContact ND2-OD1 2.62Å; N749-D752 PolarHBondContact ND2-OD2 3.02Å; N749-D752 PolarHBondContact O-N 2.77Å; N749-D752 PolarHBondContact OD1-N 3.24Å; D752-K754 VanDerWaalsContact C-N 3.27Å; D752-K754 PolarHBondContact O-N 2.92Å; D752-E755 PolarHBondContact O-N 2.84Å; D752-D756 PolarHBondContact O-N 3.35Å
753	I	90.3	Very high	89.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-34.4	178.2	-60.5	165.8	0	0	0	110.7	F748 N749 V750 D751 D756 V757 Y783 I788 L791 F792	F748-I753 HydrophobicContact CD2-CD1 3.77Å; F748-I753 HydrophobicContact CD2-CG1 3.8Å; F748-I753 HydrophobicContact CE2-CD1 3.88Å; F748-I753 HydrophobicContact CE2-CG1 4.25Å; N749-I753 WeakPolarHBondContact O-CD1 3.08Å; N749-I753 VanDerWaalsContact O-CG1 3.26Å; N749-I753 WeakPolarHBondContact O-CG1 3.44Å; N749-I753 PolarHBondContact O-N 3.45Å; V750-I753 PolarHBondContact O-N 3.07Å; D751-I753 PolarHBondContact O-N 3.06Å; I753-D756 WeakPolarHBondContact O-CB 3.42Å; I753-V757 PolarHBondContact O-N 3.18Å; I753-Y783 HydrophobicContact CD1-CD1 4.4Å; I753-Y783 HydrophobicContact CD1-CD2 4.17Å; I753-Y783 HydrophobicContact CD1-CG 4.05Å; I753-I788 HydrophobicContact CG2-CG2 4.42Å; I753-L791 HydrophobicContact CB-CD2 4.44Å; I753-L791 HydrophobicContact CG2-CD2 3.65Å; I753-F792 HydrophobicContact CG2-CD1 4.27Å; I753-F792 HydrophobicContact CG2-CE1 3.61Å
754	K	89.7	Confident	89	Confident	95 Å²	95	46.9 Å²	46.9	41%	0.413	24%	0.244	S	C	.	.	H	α-helix	trans	-73.4	-38.4	177.1	-176.9	179.7	-180	-179.8	0	112.3	V750 D751 D752 V757 Q758	V750-K754 VanDerWaalsContact O-CB 3.28Å; V750-K754 WeakPolarHBondContact O-CB 3.34Å; V750-K754 PolarHBondContact O-N 3.27Å; D751-K754 WeakPolarHBondContact O-CB 3.21Å; D751-K754 PolarHBondContact O-N 3.29Å; D752-K754 VanDerWaalsContact C-N 3.27Å; D752-K754 PolarHBondContact O-N 2.92Å; K754-V757 PolarHBondContact O-N 2.76Å; K754-Q758 WeakPolarHBondContact O-CG 3.25Å; K754-Q758 PolarHBondContact O-N 3.16Å; K754-Q758 VanDerWaalsContact O-N 3.09Å
755	E	88.4	Confident	88.4	Confident	55 Å²	55	48.6 Å²	48.6	26%	0.257	26%	0.259	S	S	.	.	H	α-helix	trans	-61.4	-44.8	172.6	-172	179.1	-147.8	0	0	110.6	D751 D752 V757 Q758 V759 Y908	D751-E755 WeakPolarHBondContact O-CB 3.03Å; D751-E755 PolarHBondContact O-N 2.66Å; D752-E755 PolarHBondContact O-N 2.84Å; E755-V757 VanDerWaalsContact C-N 3.33Å; E755-V757 PolarHBondContact O-N 3.01Å; E755-Q758 PolarHBondContact O-N 3.44Å; E755-Q758 VanDerWaalsContact O-N 3.11Å; E755-V759 HydrophobicContact CG-CG2 4.46Å; E755-V759 WeakPolarHBondContact O-CG2 3.49Å; E755-V759 PolarHBondContact O-N 3.16Å; E755-Y908 HydrophobicContact CG-CE1 4.48Å; E755-Y908 WeakPolarHBondContact OE1-CE1 3.48Å; E755-Y908 WeakPolarHBondContact OE2-CE1 3.32Å; E755-Y908 PolarHBondContact OE2-OH 2.95Å
756	D	89.3	Confident	87.7	Confident	6 Å²	6	52.1 Å²	52.1	3%	0.032	27%	0.274	C	S	.	.	H	α-helix	trans	-53	-47.4	171.7	-96	-53.8	0	0	0	111.7	N740 Y742 D752 I753 Q758 V759 I760 F792	N740-D756 VanDerWaalsContact ND2-CG 3.29Å; N740-D756 PolarHBondContact ND2-OD1 3.37Å; N740-D756 PolarHBondContact ND2-OD2 3.19Å; Y742-D756 WeakPolarHBondContact CE1-OD2 3.46Å; Y742-D756 PolarHBondContact OH-OD2 3.39Å; D752-D756 PolarHBondContact O-N 3.35Å; I753-D756 WeakPolarHBondContact O-CB 3.42Å; D756-Q758 VanDerWaalsContact C-N 3.35Å; D756-Q758 PolarHBondContact O-N 3.23Å; D756-V759 PolarHBondContact O-N 3.41Å; D756-I760 WeakPolarHBondContact O-CB 3.46Å; D756-I760 WeakPolarHBondContact O-CD1 3.5Å; D756-I760 WeakPolarHBondContact O-CG1 3.39Å; D756-I760 PolarHBondContact O-N 3.12Å; D756-F792 HydrophobicContact CB-CZ 4.18Å
757	V	90.8	Very high	87	Confident	7 Å²	7	52 Å²	52	4%	0.042	29%	0.285	C	S	.	.	H	α-helix	trans	-58.3	-45	176.5	171.2	0	0	0	0	112	I753 K754 E755 I760 A761 F792 E795 F800	I753-V757 PolarHBondContact O-N 3.18Å; K754-V757 PolarHBondContact O-N 2.76Å; E755-V757 VanDerWaalsContact C-N 3.33Å; E755-V757 PolarHBondContact O-N 3.01Å; V757-I760 PolarHBondContact O-N 3.41Å; V757-A761 PolarHBondContact O-N 3.04Å; V757-F792 HydrophobicContact CG2-CD1 3.32Å; V757-F792 HydrophobicContact CG2-CD2 4.42Å; V757-F792 HydrophobicContact CG2-CE1 3.35Å; V757-F792 HydrophobicContact CG2-CE2 4.46Å; V757-F792 HydrophobicContact CG2-CG 3.88Å; V757-F792 HydrophobicContact CG2-CZ 3.96Å; V757-E795 HydrophobicContact CG1-CB 3.79Å; V757-F800 HydrophobicContact CG1-CE1 4.45Å; V757-F800 HydrophobicContact CG1-CZ 4.1Å
758	Q	89.1	Confident	86.5	Confident	104 Å²	104	47.6 Å²	47.6	49%	0.486	26%	0.256	S	S	.	.	H	α-helix	trans	-64.8	-43.5	179.7	-68.4	176.7	1.1	0	0	111.6	K754 E755 D756 I760 A761 Q762	K754-Q758 WeakPolarHBondContact O-CG 3.25Å; K754-Q758 PolarHBondContact O-N 3.16Å; K754-Q758 VanDerWaalsContact O-N 3.09Å; E755-Q758 PolarHBondContact O-N 3.44Å; E755-Q758 VanDerWaalsContact O-N 3.11Å; D756-Q758 VanDerWaalsContact C-N 3.35Å; D756-Q758 PolarHBondContact O-N 3.23Å; Q758-I760 VanDerWaalsContact C-N 3.33Å; Q758-I760 PolarHBondContact O-N 2.75Å; Q758-A761 PolarHBondContact O-N 3.34Å; Q758-Q762 WeakPolarHBondContact O-CG 3.45Å; Q758-Q762 PolarHBondContact O-N 2.85Å
759	V	85.3	Confident	85.8	Confident	11 Å²	11	50.4 Å²	50.4	7%	0.067	27%	0.269	C	S	.	.	H	α-helix	trans	-61.5	-41.6	175.1	169.5	0	0	0	0	110.9	E755 D756 K763 Y908	E755-V759 HydrophobicContact CG-CG2 4.46Å; E755-V759 WeakPolarHBondContact O-CG2 3.49Å; E755-V759 PolarHBondContact O-N 3.16Å; D756-V759 PolarHBondContact O-N 3.41Å; V759-K763 HydrophobicContact CG1-CD 3.91Å; V759-K763 VanDerWaalsContact CG1-CE 3.47Å; V759-K763 HydrophobicContact CG1-CG 4.48Å; V759-K763 WeakPolarHBondContact O-CB 3.05Å; V759-K763 VanDerWaalsContact O-CG 3.24Å; V759-K763 WeakPolarHBondContact O-CG 3.39Å; V759-K763 PolarHBondContact O-N 3.11Å; V759-Y908 HydrophobicContact CG2-CE2 4.2Å
760	I	88.5	Confident	85.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-49.2	175.9	-66.9	162	0	0	0	110.9	V715 D756 V757 Q758 Q762 K763 M764 Y771 I773 F792 F800	V715-I760 HydrophobicContact CG1-CD1 4.5Å; V715-I760 HydrophobicContact CG2-CG2 3.65Å; D756-I760 WeakPolarHBondContact O-CB 3.46Å; D756-I760 WeakPolarHBondContact O-CD1 3.5Å; D756-I760 WeakPolarHBondContact O-CG1 3.39Å; D756-I760 PolarHBondContact O-N 3.12Å; V757-I760 PolarHBondContact O-N 3.41Å; Q758-I760 VanDerWaalsContact C-N 3.33Å; Q758-I760 PolarHBondContact O-N 2.75Å; I760-Q762 VanDerWaalsContact C-N 3.34Å; I760-Q762 PolarHBondContact O-N 2.97Å; I760-K763 WeakPolarHBondContact O-CB 3.48Å; I760-K763 PolarHBondContact O-N 3.19Å; I760-K763 VanDerWaalsContact O-N 3.13Å; I760-M764 HydrophobicContact CG2-CE 3.94Å; I760-M764 HydrophobicContact CG2-CG 4.17Å; I760-M764 VanDerWaalsContact O-CG 3.25Å; I760-M764 WeakPolarHBondContact O-CG 3.45Å; I760-M764 PolarHBondContact O-N 3.12Å; I760-Y771 HydrophobicContact CD1-CD1 3.47Å; I760-Y771 VanDerWaalsContact CD1-CD1 3.47Å; I760-Y771 HydrophobicContact CD1-CE1 3.49Å; I760-Y771 VanDerWaalsContact CD1-CE1 3.49Å; I760-Y771 HydrophobicContact CD1-CG 4.13Å; I760-Y771 HydrophobicContact CG1-CD1 3.49Å; I760-Y771 VanDerWaalsContact CG1-CD1 3.49Å; I760-Y771 HydrophobicContact CG1-CD2 3.92Å; I760-Y771 HydrophobicContact CG1-CE1 3.4Å; I760-Y771 VanDerWaalsContact CG1-CE1 3.4Å; I760-Y771 HydrophobicContact CG1-CE2 3.84Å; I760-Y771 HydrophobicContact CG1-CG 3.73Å; I760-Y771 HydrophobicContact CG2-CG 4.39Å; I760-I773 HydrophobicContact CD1-CD1 4.25Å; I760-F792 HydrophobicContact CD1-CD2 4.27Å; I760-F792 HydrophobicContact CD1-CE2 3.44Å; I760-F792 VanDerWaalsContact CD1-CE2 3.44Å; I760-F792 HydrophobicContact CD1-CZ 3.97Å; I760-F800 HydrophobicContact CB-CE1 4.01Å; I760-F800 HydrophobicContact CB-CZ 4.35Å; I760-F800 HydrophobicContact CG2-CD1 3.68Å; I760-F800 HydrophobicContact CG2-CE1 3.48Å; I760-F800 VanDerWaalsContact CG2-CE1 3.48Å; I760-F800 HydrophobicContact CG2-CE2 4.45Å; I760-F800 HydrophobicContact CG2-CG 4.24Å; I760-F800 HydrophobicContact CG2-CZ 3.89Å
761	A	88.2	Confident	85.4	Confident	23 Å²	23	45.7 Å²	45.7	19%	0.19	24%	0.239	C	C	.	.	H	α-helix	trans	-56.3	-48.4	178.7	0	0	0	0	0	111.1	V757 Q758 K763 M764 V765 E799 F800	V757-A761 PolarHBondContact O-N 3.04Å; Q758-A761 PolarHBondContact O-N 3.34Å; A761-K763 PolarHBondContact O-N 3.23Å; A761-M764 PolarHBondContact O-N 3.37Å; A761-V765 WeakPolarHBondContact O-CG2 3.42Å; A761-V765 PolarHBondContact O-N 3.01Å; A761-E799 HydrophobicContact CB-CB 4.4Å; A761-E799 HydrophobicContact CB-CG 4.31Å; A761-F800 HydrophobicContact CB-CE1 4.33Å
762	Q	84.9	Confident	85.4	Confident	87 Å²	87	40.1 Å²	40.1	41%	0.407	21%	0.21	S	C	.	.	H	α-helix	trans	-60.7	-40.8	175.6	-69.2	179.9	25.7	0	0	113	Q758 I760 V765 K766	Q758-Q762 WeakPolarHBondContact O-CG 3.45Å; Q758-Q762 PolarHBondContact O-N 2.85Å; I760-Q762 VanDerWaalsContact C-N 3.34Å; I760-Q762 PolarHBondContact O-N 2.97Å; Q762-V765 PolarHBondContact O-N 3.2Å; Q762-K766 WeakPolarHBondContact O-CG 3.46Å; Q762-K766 PolarHBondContact O-N 2.95Å
763	K	81.5	Confident	85.7	Confident	6 Å²	6	37.6 Å²	37.6	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-62.5	-43.1	175.2	-78.4	172	179.2	179.1	0	111.6	V759 I760 A761 K766 G767 V768 Y771 S902	V759-K763 HydrophobicContact CG1-CD 3.91Å; V759-K763 VanDerWaalsContact CG1-CE 3.47Å; V759-K763 HydrophobicContact CG1-CG 4.48Å; V759-K763 WeakPolarHBondContact O-CB 3.05Å; V759-K763 VanDerWaalsContact O-CG 3.24Å; V759-K763 WeakPolarHBondContact O-CG 3.39Å; V759-K763 PolarHBondContact O-N 3.11Å; I760-K763 WeakPolarHBondContact O-CB 3.48Å; I760-K763 PolarHBondContact O-N 3.19Å; I760-K763 VanDerWaalsContact O-N 3.13Å; A761-K763 PolarHBondContact O-N 3.23Å; K763-K766 CarbonylContact O-C 3.56Å; K763-K766 PolarHBondContact O-N 2.78Å; K763-G767 PolarHBondContact O-N 3.03Å; K763-V768 HydrophobicContact CB-CB 4.13Å; K763-V768 HydrophobicContact CB-CG2 3.94Å; K763-V768 VanDerWaalsContact O-CB 3.27Å; K763-V768 WeakPolarHBondContact O-CB 3.49Å; K763-V768 WeakPolarHBondContact O-CG2 3.43Å; K763-V768 PolarHBondContact O-N 2.92Å; K763-Y771 HydrophobicContact CD-CD2 4.27Å; K763-Y771 HydrophobicContact CD-CE2 3.63Å; K763-Y771 PolarHBondContact NZ-OH 2.9Å; K763-S902 WeakPolarHBondContact CE-O 3.46Å; K763-S902 PolarHBondContact NZ-O 2.77Å
764	M	84.6	Confident	85.9	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-65	-38.9	178.2	-64.5	-70	178.1	0	0	112	R713 V715 I760 A761 G767 F800	R713-M764 HydrophobicContact CB-SD 4.08Å; R713-M764 HydrophobicContact CG-SD 4.28Å; V715-M764 HydrophobicContact CG2-CE 4.05Å; I760-M764 HydrophobicContact CG2-CE 3.94Å; I760-M764 HydrophobicContact CG2-CG 4.17Å; I760-M764 VanDerWaalsContact O-CG 3.25Å; I760-M764 WeakPolarHBondContact O-CG 3.45Å; I760-M764 PolarHBondContact O-N 3.12Å; A761-M764 PolarHBondContact O-N 3.37Å; M764-G767 PolarHBondContact O-N 3.33Å; M764-G767 VanDerWaalsContact O-N 3.16Å; M764-F800 HydrophobicContact CE-CB 4.41Å; M764-F800 HydrophobicContact CG-CB 4.3Å; M764-F800 HydrophobicContact CG-CD1 4.35Å
765	V	82.4	Confident	86.1	Confident	97 Å²	97	33.4 Å²	33.4	59%	0.588	18%	0.178	S	C	*	.	H	α-helix	trans	-63.5	-41.5	172.2	172.8	0	0	0	0	111.4	A761 Q762 G767	A761-V765 WeakPolarHBondContact O-CG2 3.42Å; A761-V765 PolarHBondContact O-N 3.01Å; Q762-V765 PolarHBondContact O-N 3.2Å; V765-G767 PolarHBondContact O-N 2.78Å; V765-G767 VanDerWaalsContact O-N 3.12Å
766	K	76.9	Confident	86.5	Confident	119 Å²	119	30.8 Å²	30.8	52%	0.517	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	3.7	174	-71	177.4	179.9	174.8	0	114.3	Q762 K763 D905	Q762-K766 WeakPolarHBondContact O-CG 3.46Å; Q762-K766 PolarHBondContact O-N 2.95Å; K763-K766 CarbonylContact O-C 3.56Å; K763-K766 PolarHBondContact O-N 2.78Å; K766-D905 PolarHBondContact NZ-O 3.01Å
767	G	76.6	Confident	86.7	Confident	43 Å²	43	33.8 Å²	33.8	44%	0.443	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	98	5.1	171.9	0	0	0	0	0	115.8	K763 M764 V765 Q769	K763-G767 PolarHBondContact O-N 3.03Å; M764-G767 PolarHBondContact O-N 3.33Å; M764-G767 VanDerWaalsContact O-N 3.16Å; V765-G767 PolarHBondContact O-N 2.78Å; V765-G767 VanDerWaalsContact O-N 3.12Å; G767-Q769 PolarHBondContact O-N 3.2Å; G767-Q769 PolarHBondContact O-NE2 3.48Å
768	V	76.9	Confident	86.9	Confident	28 Å²	28	35 Å²	35	17%	0.17	19%	0.188	C	C	.	.			trans	-62.1	134.6	168.8	178.2	0	0	0	0	109	K763 R770	K763-V768 HydrophobicContact CB-CB 4.13Å; K763-V768 HydrophobicContact CB-CG2 3.94Å; K763-V768 VanDerWaalsContact O-CB 3.27Å; K763-V768 WeakPolarHBondContact O-CB 3.49Å; K763-V768 WeakPolarHBondContact O-CG2 3.43Å; K763-V768 PolarHBondContact O-N 2.92Å; V768-R770 WeakPolarHBondContact CG1-O 3.42Å
769	Q	77.4	Confident	87.1	Confident	77 Å²	77	30.3 Å²	30.3	36%	0.36	17%	0.167	S	C	.	.			trans	-97.2	-23	-174	-60.4	-58.3	-58.3	0	0	113.6	R713 R714 G767	R713-Q769 WeakPolarHBondContact CA-O 3.47Å; R713-Q769 PolarHBondContact N-O 3.23Å; R714-Q769 PolarHBondContact N-O 2.9Å; G767-Q769 PolarHBondContact O-N 3.2Å; G767-Q769 PolarHBondContact O-NE2 3.48Å
770	R	85.7	Confident	87.6	Confident	27 Å²	27	31.3 Å²	31.3	10%	0.102	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	153.8	-175.4	66.8	176.6	-167.4	74.4	0.9	111.2	D201 A708 R714 V768 I772	D201-R770 IonicContact OD1-CZ 3.35Å; D201-R770 IonicContact OD1-NE 2.8Å; D201-R770 PolarHBondContact OD1-NE 3.29Å; D201-R770 IonicContact OD1-NH2 3.68Å; D201-R770 PolarHBondContact OD1-NH2 2.95Å; D201-R770 IonicContact OD2-NE 3.68Å; A708-R770 HydrophobicContact CB-CB 3.85Å; R714-R770 CarbonylContact O-C 3.01Å; R714-R770 VanDerWaalsContact O-CA 3.25Å; R714-R770 WeakPolarHBondContact O-CA 3.2Å; V768-R770 WeakPolarHBondContact CG1-O 3.42Å; R770-I772 VanDerWaalsContact NH1-CD1 3.3Å
771	Y	88.5	Confident	87.8	Confident	3 Å²	3	36.6 Å²	36.6	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141.7	169.6	-154.5	-104.2	0	0	0	109.3	R714 V715 F716 D739 I760 K763 I773	R714-Y771 PolarHBondContact O-N 3.45Å; V715-Y771 CarbonylContact C-O 3.58Å; V715-Y771 WeakPolarHBondContact CA-O 3.17Å; V715-Y771 HydrophobicContact CG1-CD1 4.41Å; F716-Y771 PolarHBondContact N-O 3.39Å; D739-Y771 HydrophobicContact CB-CD1 3.99Å; D739-Y771 HydrophobicContact CB-CD2 3.68Å; D739-Y771 HydrophobicContact CB-CE1 3.62Å; D739-Y771 HydrophobicContact CB-CE2 3.28Å; D739-Y771 HydrophobicContact CB-CG 4.03Å; D739-Y771 VanDerWaalsContact CG-CD2 3.45Å; D739-Y771 WeakPolarHBondContact OD2-CA 3.3Å; I760-Y771 HydrophobicContact CD1-CD1 3.47Å; I760-Y771 VanDerWaalsContact CD1-CD1 3.47Å; I760-Y771 HydrophobicContact CD1-CE1 3.49Å; I760-Y771 VanDerWaalsContact CD1-CE1 3.49Å; I760-Y771 HydrophobicContact CD1-CG 4.13Å; I760-Y771 HydrophobicContact CG1-CD1 3.49Å; I760-Y771 VanDerWaalsContact CG1-CD1 3.49Å; I760-Y771 HydrophobicContact CG1-CD2 3.92Å; I760-Y771 HydrophobicContact CG1-CE1 3.4Å; I760-Y771 VanDerWaalsContact CG1-CE1 3.4Å; I760-Y771 HydrophobicContact CG1-CE2 3.84Å; I760-Y771 HydrophobicContact CG1-CG 3.73Å; I760-Y771 HydrophobicContact CG2-CG 4.39Å; K763-Y771 HydrophobicContact CD-CD2 4.27Å; K763-Y771 HydrophobicContact CD-CE2 3.63Å; K763-Y771 PolarHBondContact NZ-OH 2.9Å; Y771-I773 HydrophobicContact CD1-CD1 4.17Å; Y771-I773 HydrophobicContact CD1-CG1 3.73Å; Y771-I773 HydrophobicContact CE1-CD1 3.96Å; Y771-I773 HydrophobicContact CE1-CG1 3.7Å
772	I	90.8	Very high	88	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127	175.8	-57.7	-174.2	0	0	0	109.7	I701 K705 F716 V718 A738 D739 N740 R770 M774	I701-I772 HydrophobicContact CG2-CD1 3.86Å; K705-I772 HydrophobicContact CG-CD1 3.8Å; F716-I772 HydrophobicContact CB-CG1 4.42Å; F716-I772 WeakPolarHBondContact O-CA 3.36Å; V718-I772 HydrophobicContact CG2-CG2 4.02Å; A738-I772 HydrophobicContact CB-CB 4.05Å; A738-I772 HydrophobicContact CB-CG2 3.83Å; D739-I772 PolarHBondContact N-O 3.13Å; D739-I772 PolarHBondContact OD2-N 2.81Å; N740-I772 PolarHBondContact N-O 2.9Å; R770-I772 VanDerWaalsContact NH1-CD1 3.3Å; I772-M774 HydrophobicContact CG2-SD 4.08Å
773	I	93.3	Very high	88.4	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.7	172.3	-59.8	-174.1	0	0	0	108.4	F716 I717 V718 N740 Y742 I760 Y771 F792	F716-I773 PolarHBondContact O-N 3.18Å; I717-I773 CarbonylContact C-O 3.54Å; I717-I773 WeakPolarHBondContact CA-O 3.18Å; V718-I773 PolarHBondContact N-O 2.84Å; N740-I773 HydrophobicContact CB-CG1 4.34Å; N740-I773 WeakPolarHBondContact O-CA 3.46Å; Y742-I773 HydrophobicContact CD2-CG2 3.67Å; Y742-I773 HydrophobicContact CE2-CD1 4.3Å; Y742-I773 HydrophobicContact CE2-CG2 3.58Å; Y742-I773 HydrophobicContact CG-CG2 4.49Å; I760-I773 HydrophobicContact CD1-CD1 4.25Å; Y771-I773 HydrophobicContact CD1-CD1 4.17Å; Y771-I773 HydrophobicContact CD1-CG1 3.73Å; Y771-I773 HydrophobicContact CE1-CD1 3.96Å; Y771-I773 HydrophobicContact CE1-CG1 3.7Å; I773-F792 HydrophobicContact CD1-CE2 3.43Å; I773-F792 VanDerWaalsContact CD1-CE2 3.43Å; I773-F792 HydrophobicContact CD1-CZ 3.55Å
774	M	94.7	Very high	89	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	142.2	167.6	-52.9	-52.5	-60.7	0	0	109.7	I697 I701 V718 T720 A729 A733 A738 N740 A741 Y742 I772	I697-M774 HydrophobicContact CG2-CE 4.13Å; I701-M774 HydrophobicContact CD1-CE 3.63Å; I701-M774 HydrophobicContact CD1-SD 3.6Å; I701-M774 VanDerWaalsContact CD1-SD 3.6Å; I701-M774 HydrophobicContact CG1-CE 4.49Å; I701-M774 HydrophobicContact CG1-SD 4.44Å; V718-M774 HydrophobicContact CB-CE 3.81Å; V718-M774 HydrophobicContact CB-SD 3.84Å; V718-M774 HydrophobicContact CG1-CE 3.64Å; V718-M774 HydrophobicContact CG1-SD 4.25Å; V718-M774 HydrophobicContact CG2-SD 4.4Å; V718-M774 CarbonylContact O-C 3.51Å; V718-M774 WeakPolarHBondContact O-CA 3.31Å; T720-M774 HydrophobicContact CG2-CE 3.4Å; A729-M774 HydrophobicContact CB-CB 4.25Å; A733-M774 HydrophobicContact CB-CB 4.46Å; A733-M774 HydrophobicContact CB-CG 3.68Å; A738-M774 HydrophobicContact CB-CG 3.85Å; A738-M774 HydrophobicContact CB-SD 4.09Å; N740-M774 PolarHBondContact O-N 3.3Å; A741-M774 CarbonylContact C-O 3.6Å; A741-M774 VanDerWaalsContact CA-O 3.24Å; A741-M774 WeakPolarHBondContact CA-O 3.17Å; A741-M774 HydrophobicContact CB-CB 3.91Å; Y742-M774 PolarHBondContact N-O 3.44Å; I772-M774 HydrophobicContact CG2-SD 4.08Å
775	R	95.6	Very high	89.5	Confident	7 Å²	7	42.2 Å²	42.2	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.9	170.3	171.8	173.2	171.8	-62.7	-16.1	109.1	V718 E719 T720 Y742 E777 A779 N780 Y783 T785	V718-R775 PolarHBondContact O-N 3.3Å; E719-R775 CarbonylContact C-O 3.54Å; E719-R775 WeakPolarHBondContact CA-O 3.32Å; E719-R775 IonicContact OE2-NH1 2.68Å; E719-R775 PolarHBondContact OE2-NH1 2.82Å; T720-R775 PolarHBondContact N-O 2.97Å; T720-R775 PolarHBondContact OG1-O 2.88Å; Y742-R775 WeakPolarHBondContact O-CA 3.32Å; R775-E777 PolarHBondContact NH1-O 3.05Å; R775-E777 PolarHBondContact NH2-O 3.23Å; R775-A779 HydrophobicContact CG-CB 4.25Å; R775-N780 PolarHBondContact NH2-O 3.28Å; R775-Y783 PolarHBondContact NE-O 3.5Å; R775-T785 WeakPolarHBondContact CD-OG1 3.32Å; R775-T785 PolarHBondContact NH1-OG1 2.9Å
776	S	95.9	Very high	90	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	139.9	166.6	-170.5	0	0	0	0	110.5	G723 Y742 S778 A779	G723-S776 PolarHBondContact O-OG 3.4Å; G723-S776 VanDerWaalsContact O-OG 3.13Å; Y742-S776 PolarHBondContact O-N 3.44Å; S776-S778 PolarHBondContact O-N 3.17Å; S776-S778 VanDerWaalsContact O-N 3.14Å; S776-A779 WeakPolarHBondContact O-CB 3.43Å; S776-A779 PolarHBondContact O-N 3.02Å
777	E	94.1	Very high	90.9	Very high	68 Å²	68	39.3 Å²	39.3	32%	0.318	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-42.9	-178.3	65.4	-167.8	144.7	0	0	113	E719 T720 M721 G722 G723 R775	E719-E777 HydrophobicContact CG-CB 4.41Å; T720-E777 PolarHBondContact O-N 3.28Å; M721-E777 VanDerWaalsContact CA-OE1 3.24Å; M721-E777 WeakPolarHBondContact CA-OE1 3.36Å; G722-E777 PolarHBondContact N-OE1 3.42Å; G723-E777 PolarHBondContact N-OE1 3.47Å; R775-E777 PolarHBondContact NH1-O 3.05Å; R775-E777 PolarHBondContact NH2-O 3.23Å
778	S	94.6	Very high	91.7	Very high	33 Å²	33	37.3 Å²	37.3	23%	0.231	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	20.7	178.5	-44.7	0	0	0	0	114.4	G723 S776 N780	G723-S778 WeakPolarHBondContact O-CB 3.42Å; S776-S778 PolarHBondContact O-N 3.17Å; S776-S778 VanDerWaalsContact O-N 3.14Å; S778-N780 PolarHBondContact O-N 3.38Å
779	A	93.9	Very high	92.6	Very high	5 Å²	5	37.6 Å²	37.6	4%	0.041	20%	0.195	C	C	.	.	S	Bend	trans	-57	-37.5	179.2	0	0	0	0	0	113	F748 R775 S776	F748-A779 HydrophobicContact CE1-CB 4.04Å; F748-A779 HydrophobicContact CZ-CB 4.36Å; R775-A779 HydrophobicContact CG-CB 4.25Å; S776-A779 WeakPolarHBondContact O-CB 3.43Å; S776-A779 PolarHBondContact O-N 3.02Å
780	N	94.5	Very high	93.4	Very high	33 Å²	33	39.1 Å²	39.1	18%	0.176	20%	0.202	C	C	.	.			trans	-156.8	139.6	169.7	-170.6	-74.2	0	0	0	109.3	F748 R775 S778 N782 Y783	F748-N780 HydrophobicContact CE1-CB 4.09Å; F748-N780 HydrophobicContact CE2-CB 4.49Å; F748-N780 HydrophobicContact CZ-CB 3.72Å; R775-N780 PolarHBondContact NH2-O 3.28Å; S778-N780 PolarHBondContact O-N 3.38Å; N780-N782 PolarHBondContact OD1-N 2.92Å; N780-Y783 HydrophobicContact CB-CD2 4.01Å; N780-Y783 HydrophobicContact CB-CG 4.4Å; N780-Y783 VanDerWaalsContact CG-CD2 3.43Å; N780-Y783 PolarHBondContact OD1-N 2.77Å
781	P	92.1	Very high	93.8	Very high	110 Å²	110	39.6 Å²	39.6	71%	0.714	21%	0.207	S	C	*	.	S	Bend	trans	-71	-29.6	179.9	27.8	-35.5	0	0	0	113.9
782	N	93.5	Very high	94.1	Very high	123 Å²	123	39.5 Å²	39.5	66%	0.658	21%	0.206	S	C	*	.	S	Bend	trans	-95	-42.7	-176.9	-61.3	-40.8	0	0	0	111.6	N780 T784	N780-N782 PolarHBondContact OD1-N 2.92Å; N782-T784 PolarHBondContact O-N 3.44Å
783	Y	93.2	Very high	94.2	Very high	53 Å²	53	41.7 Å²	41.7	21%	0.208	22%	0.221	C	C	.	.	S	Bend	trans	-80.4	69.4	176.3	-47.1	-43.4	0	0	0	110.6	F748 V750 I753 R775 N780 F787	F748-Y783 HydrophobicContact CD2-CD2 4.04Å; F748-Y783 AromaticContact CE2-CD2 3.68Å; F748-Y783 HydrophobicContact CE2-CD2 3.68Å; F748-Y783 HydrophobicContact CE2-CG 4.14Å; F748-Y783 HydrophobicContact CZ-CD2 4.29Å; F748-Y783 WeakPolarHBondContact O-CE2 3.45Å; V750-Y783 HydrophobicContact CG2-CE1 3.84Å; I753-Y783 HydrophobicContact CD1-CD1 4.4Å; I753-Y783 HydrophobicContact CD1-CD2 4.17Å; I753-Y783 HydrophobicContact CD1-CG 4.05Å; R775-Y783 PolarHBondContact NE-O 3.5Å; N780-Y783 HydrophobicContact CB-CD2 4.01Å; N780-Y783 HydrophobicContact CB-CG 4.4Å; N780-Y783 VanDerWaalsContact CG-CD2 3.43Å; N780-Y783 PolarHBondContact OD1-N 2.77Å; Y783-F787 AromaticContact CD1-CD1 3.93Å; Y783-F787 HydrophobicContact CD1-CD1 3.93Å; Y783-F787 AromaticContact CD1-CE1 3.66Å; Y783-F787 HydrophobicContact CD1-CE1 3.66Å; Y783-F787 HydrophobicContact CD1-CZ 4.37Å; Y783-F787 HydrophobicContact CE1-CE1 4.27Å
784	T	93.8	Very high	94.2	Very high	56 Å²	56	47.2 Å²	47.2	34%	0.344	25%	0.247	S	C	.	.			trans	-67.9	158.7	176.1	64.6	0	0	0	0	111.6	N782 Q786 F787 I788	N782-T784 PolarHBondContact O-N 3.44Å; T784-Q786 PolarHBondContact O-N 3.38Å; T784-F787 PolarHBondContact O-N 3.11Å; T784-F787 WeakPolarHBondContact OG1-CB 3.45Å; T784-F787 PolarHBondContact OG1-N 3.26Å; T784-F787 VanDerWaalsContact OG1-N 3.13Å; T784-I788 WeakPolarHBondContact O-CG1 3.42Å; T784-I788 PolarHBondContact O-N 3.12Å
785	T	94.4	Very high	94.1	Very high	4 Å²	4	52.7 Å²	52.7	3%	0.025	27%	0.273	C	S	.	.	H	α-helix	trans	-53.4	-35.7	172.8	-62.8	0	0	0	0	112.3	I717 E719 R775 M789 I804	I717-T785 HydrophobicContact CG2-CG2 3.99Å; E719-T785 HydrophobicContact CB-CG2 4.48Å; E719-T785 VanDerWaalsContact OE2-CB 3.3Å; E719-T785 WeakPolarHBondContact OE2-CB 3.34Å; E719-T785 PolarHBondContact OE2-OG1 3.37Å; R775-T785 WeakPolarHBondContact CD-OG1 3.32Å; R775-T785 PolarHBondContact NH1-OG1 2.9Å; T785-M789 WeakPolarHBondContact O-CB 3.46Å; T785-M789 PolarHBondContact O-N 2.74Å; T785-M789 VanDerWaalsContact O-N 3.09Å; T785-I804 HydrophobicContact CG2-CB 3.9Å; T785-I804 HydrophobicContact CG2-CG2 3.52Å
786	Q	94.1	Very high	93.8	Very high	84 Å²	84	52.4 Å²	52.4	39%	0.393	27%	0.272	S	S	.	.	H	α-helix	trans	-67.8	-44.6	175.4	-177.9	63.3	19	0	0	112.5	T784 M789 Q790	T784-Q786 PolarHBondContact O-N 3.38Å; Q786-M789 PolarHBondContact O-N 3.05Å; Q786-M789 VanDerWaalsContact OE1-CE 3.31Å; Q786-Q790 WeakPolarHBondContact O-CG 3.35Å; Q786-Q790 PolarHBondContact O-N 3.14Å
787	F	94.7	Very high	93.5	Very high	72 Å²	72	59 Å²	59	32%	0.316	30%	0.301	S	S	.	.	H	α-helix	trans	-61.2	-48.8	177.3	173.4	-94.6	0	0	0	111.6	Y783 T784 M789 Q790 L791	Y783-F787 AromaticContact CD1-CD1 3.93Å; Y783-F787 HydrophobicContact CD1-CD1 3.93Å; Y783-F787 AromaticContact CD1-CE1 3.66Å; Y783-F787 HydrophobicContact CD1-CE1 3.66Å; Y783-F787 HydrophobicContact CD1-CZ 4.37Å; Y783-F787 HydrophobicContact CE1-CE1 4.27Å; T784-F787 PolarHBondContact O-N 3.11Å; T784-F787 WeakPolarHBondContact OG1-CB 3.45Å; T784-F787 PolarHBondContact OG1-N 3.26Å; T784-F787 VanDerWaalsContact OG1-N 3.13Å; F787-M789 VanDerWaalsContact C-N 3.31Å; F787-M789 PolarHBondContact O-N 3.33Å; F787-Q790 PolarHBondContact O-N 2.91Å; F787-Q790 VanDerWaalsContact O-N 3.15Å; F787-L791 HydrophobicContact CE1-CD2 4.18Å; F787-L791 HydrophobicContact CZ-CD2 4.45Å; F787-L791 PolarHBondContact O-N 2.91Å
788	I	94.4	Very high	93.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.4	-41	179.7	-58.2	170.8	0	0	0	110.1	I717 Y742 I753 T784 Q790 L791 F792	I717-I788 HydrophobicContact CD1-CB 4.08Å; I717-I788 HydrophobicContact CD1-CG2 3.66Å; I717-I788 HydrophobicContact CG1-CG2 4.49Å; Y742-I788 HydrophobicContact CD2-CD1 3.89Å; Y742-I788 HydrophobicContact CE2-CD1 3.96Å; Y742-I788 HydrophobicContact CE2-CG2 4.32Å; I753-I788 HydrophobicContact CG2-CG2 4.42Å; T784-I788 WeakPolarHBondContact O-CG1 3.42Å; T784-I788 PolarHBondContact O-N 3.12Å; I788-Q790 PolarHBondContact O-N 3.14Å; I788-L791 PolarHBondContact O-N 3.15Å; I788-F792 HydrophobicContact CG2-CD1 3.83Å; I788-F792 HydrophobicContact CG2-CE1 3.78Å; I788-F792 HydrophobicContact CG2-CG 4.36Å; I788-F792 HydrophobicContact CG2-CZ 4.24Å; I788-F792 VanDerWaalsContact O-CB 3.25Å; I788-F792 WeakPolarHBondContact O-CB 3.33Å; I788-F792 WeakPolarHBondContact O-CD1 3.23Å; I788-F792 WeakPolarHBondContact O-CG 3.21Å; I788-F792 PolarHBondContact O-N 3.5Å
789	M	94.5	Very high	92.8	Very high	34 Å²	34	61.3 Å²	61.3	17%	0.167	33%	0.328	C	S	.	.	H	α-helix	trans	-59.6	-44.2	174.5	-176.3	-168	66.8	0	0	112.5	I717 T785 Q786 F787 S793 T802 I804	I717-M789 HydrophobicContact CD1-CB 4.05Å; T785-M789 WeakPolarHBondContact O-CB 3.46Å; T785-M789 PolarHBondContact O-N 2.74Å; T785-M789 VanDerWaalsContact O-N 3.09Å; Q786-M789 PolarHBondContact O-N 3.05Å; Q786-M789 VanDerWaalsContact OE1-CE 3.31Å; F787-M789 VanDerWaalsContact C-N 3.31Å; F787-M789 PolarHBondContact O-N 3.33Å; M789-S793 VanDerWaalsContact O-CB 3.27Å; M789-S793 WeakPolarHBondContact O-CB 3.34Å; M789-S793 PolarHBondContact O-N 2.81Å; M789-S793 PolarHBondContact O-OG 3.22Å; M789-T802 HydrophobicContact CB-CG2 4.49Å; M789-T802 HydrophobicContact CG-CG2 4.06Å; M789-I804 HydrophobicContact CB-CG2 3.57Å; M789-I804 HydrophobicContact CG-CG2 3.8Å; M789-I804 HydrophobicContact SD-CB 4.33Å; M789-I804 HydrophobicContact SD-CD1 4.33Å; M789-I804 HydrophobicContact SD-CG1 4Å; M789-I804 HydrophobicContact SD-CG2 3.59Å; M789-I804 VanDerWaalsContact SD-CG2 3.59Å
790	Q	94.9	Very high	92.7	Very high	109 Å²	109	61.8 Å²	61.8	51%	0.509	33%	0.329	S	S	.	.	H	α-helix	trans	-64.5	-49.4	-180	-74.7	170.4	-32.5	0	0	111	Q786 F787 I788 F792 S793 E794	Q786-Q790 WeakPolarHBondContact O-CG 3.35Å; Q786-Q790 PolarHBondContact O-N 3.14Å; F787-Q790 PolarHBondContact O-N 2.91Å; F787-Q790 VanDerWaalsContact O-N 3.15Å; I788-Q790 PolarHBondContact O-N 3.14Å; Q790-F792 PolarHBondContact O-N 3.4Å; Q790-S793 PolarHBondContact O-N 3.43Å; Q790-S793 VanDerWaalsContact O-N 3.16Å; Q790-E794 PolarHBondContact O-N 3.11Å; Q790-E794 VanDerWaalsContact O-N 3.16Å
791	L	93.8	Very high	92.6	Very high	38 Å²	38	62 Å²	62	20%	0.199	33%	0.333	C	S	.	.	H	α-helix	trans	-57.8	-50.5	176.6	-178.9	62.2	0	0	0	111.6	I753 F787 I788 S793 E794 E795	I753-L791 HydrophobicContact CB-CD2 4.44Å; I753-L791 HydrophobicContact CG2-CD2 3.65Å; F787-L791 HydrophobicContact CE1-CD2 4.18Å; F787-L791 HydrophobicContact CZ-CD2 4.45Å; F787-L791 PolarHBondContact O-N 2.91Å; I788-L791 PolarHBondContact O-N 3.15Å; L791-S793 PolarHBondContact O-N 2.97Å; L791-E794 PolarHBondContact O-N 3.35Å; L791-E795 HydrophobicContact CD1-CG 3.72Å; L791-E795 HydrophobicContact CG-CG 4.36Å; L791-E795 WeakPolarHBondContact O-CB 3.37Å; L791-E795 WeakPolarHBondContact O-CG 3.47Å; L791-E795 PolarHBondContact O-N 3.07Å
792	F	94.4	Very high	92.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.3	-29.8	177.4	-86.6	37.7	0	0	0	113.4	V715 I753 D756 V757 I760 I773 I788 Q790 G796 F800 T802	V715-F792 HydrophobicContact CG1-CD2 3.95Å; V715-F792 HydrophobicContact CG1-CE2 4.07Å; I753-F792 HydrophobicContact CG2-CD1 4.27Å; I753-F792 HydrophobicContact CG2-CE1 3.61Å; D756-F792 HydrophobicContact CB-CZ 4.18Å; V757-F792 HydrophobicContact CG2-CD1 3.32Å; V757-F792 HydrophobicContact CG2-CD2 4.42Å; V757-F792 HydrophobicContact CG2-CE1 3.35Å; V757-F792 HydrophobicContact CG2-CE2 4.46Å; V757-F792 HydrophobicContact CG2-CG 3.88Å; V757-F792 HydrophobicContact CG2-CZ 3.96Å; I760-F792 HydrophobicContact CD1-CD2 4.27Å; I760-F792 HydrophobicContact CD1-CE2 3.44Å; I760-F792 VanDerWaalsContact CD1-CE2 3.44Å; I760-F792 HydrophobicContact CD1-CZ 3.97Å; I773-F792 HydrophobicContact CD1-CE2 3.43Å; I773-F792 VanDerWaalsContact CD1-CE2 3.43Å; I773-F792 HydrophobicContact CD1-CZ 3.55Å; I788-F792 HydrophobicContact CG2-CD1 3.83Å; I788-F792 HydrophobicContact CG2-CE1 3.78Å; I788-F792 HydrophobicContact CG2-CG 4.36Å; I788-F792 HydrophobicContact CG2-CZ 4.24Å; I788-F792 VanDerWaalsContact O-CB 3.25Å; I788-F792 WeakPolarHBondContact O-CB 3.33Å; I788-F792 WeakPolarHBondContact O-CD1 3.23Å; I788-F792 WeakPolarHBondContact O-CG 3.21Å; I788-F792 PolarHBondContact O-N 3.5Å; Q790-F792 PolarHBondContact O-N 3.4Å; F792-G796 WeakPolarHBondContact O-CA 3.39Å; F792-G796 PolarHBondContact O-N 3.42Å; F792-F800 HydrophobicContact CB-CE2 4.37Å; F792-F800 HydrophobicContact CD2-CE2 4.39Å; F792-F800 WeakPolarHBondContact O-CE2 2.86Å; F792-T802 HydrophobicContact CB-CG2 3.89Å; F792-T802 WeakPolarHBondContact CB-OG1 3.05Å; F792-T802 HydrophobicContact CD2-CG2 4.29Å
793	S	93.4	Very high	92.7	Very high	46 Å²	46	56.9 Å²	56.9	32%	0.322	29%	0.291	S	S	.	.	H	α-helix	trans	-78	-28.4	-179.5	-60.5	0	0	0	0	112.9	M789 Q790 L791	M789-S793 VanDerWaalsContact O-CB 3.27Å; M789-S793 WeakPolarHBondContact O-CB 3.34Å; M789-S793 PolarHBondContact O-N 2.81Å; M789-S793 PolarHBondContact O-OG 3.22Å; Q790-S793 PolarHBondContact O-N 3.43Å; Q790-S793 VanDerWaalsContact O-N 3.16Å; L791-S793 PolarHBondContact O-N 2.97Å
794	E	94.4	Very high	92.7	Very high	116 Å²	116	57.4 Å²	57.4	54%	0.542	30%	0.296	S	S	.	.	H	α-helix	trans	-89.5	-44.9	177.5	-165.6	59.6	-152.7	0	0	111.5	Q790 L791 K797	Q790-E794 PolarHBondContact O-N 3.11Å; Q790-E794 VanDerWaalsContact O-N 3.16Å; L791-E794 PolarHBondContact O-N 3.35Å; E794-K797 WeakPolarHBondContact O-CB 3.47Å; E794-K797 PolarHBondContact O-N 3Å; E794-K797 IonicContact OE1-NZ 2.8Å; E794-K797 PolarHBondContact OE1-NZ 3.35Å; E794-K797 IonicContact OE2-NZ 3.8Å; E794-K797 PolarHBondContact OE2-NZ 3.25Å
795	E	92.4	Very high	92.7	Very high	115 Å²	115	57.4 Å²	57.4	54%	0.537	29%	0.294	S	S	.	.	H	α-helix	trans	-73.1	-29.1	177.7	-62.1	-71.4	135.1	0	0	112.6	V757 L791 K797	V757-E795 HydrophobicContact CG1-CB 3.79Å; L791-E795 HydrophobicContact CD1-CG 3.72Å; L791-E795 HydrophobicContact CG-CG 4.36Å; L791-E795 WeakPolarHBondContact O-CB 3.37Å; L791-E795 WeakPolarHBondContact O-CG 3.47Å; L791-E795 PolarHBondContact O-N 3.07Å; E795-K797 VanDerWaalsContact C-N 3.33Å
796	G	89.1	Confident	92.8	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.01	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	4.9	175.5	0	0	0	0	0	115	F792 G798 E799 F800	F792-G796 WeakPolarHBondContact O-CA 3.39Å; F792-G796 PolarHBondContact O-N 3.42Å; G796-G798 PolarHBondContact O-N 3.01Å; G796-E799 PolarHBondContact O-N 3.2Å; G796-F800 PolarHBondContact O-N 2.96Å
797	K	88.8	Confident	92.8	Very high	139 Å²	139	57.5 Å²	57.5	60%	0.604	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	120.3	-169.6	-173.5	176.2	-169.8	160	0	112.2	E794 E795	E794-K797 WeakPolarHBondContact O-CB 3.47Å; E794-K797 PolarHBondContact O-N 3Å; E794-K797 IonicContact OE1-NZ 2.8Å; E794-K797 PolarHBondContact OE1-NZ 3.35Å; E794-K797 IonicContact OE2-NZ 3.8Å; E794-K797 PolarHBondContact OE2-NZ 3.25Å; E795-K797 VanDerWaalsContact C-N 3.33Å
798	G	86.6	Confident	92.8	Very high	75 Å²	75	55.1 Å²	55.1	77%	0.773	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.6	-29.4	-175.2	0	0	0	0	0	113.5	G796	G796-G798 PolarHBondContact O-N 3.01Å
799	E	88.9	Confident	92.8	Very high	74 Å²	74	61.7 Å²	61.7	35%	0.346	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-45.2	177.7	-67.9	-56.1	153.4	0	0	112.8	R713 A761 G796	R713-E799 WeakPolarHBondContact CB-O 3.36Å; R713-E799 WeakPolarHBondContact CD-O 3.3Å; R713-E799 IonicContact NH1-OE2 2.99Å; R713-E799 PolarHBondContact NH1-OE2 3.34Å; A761-E799 HydrophobicContact CB-CB 4.4Å; A761-E799 HydrophobicContact CB-CG 4.31Å; G796-E799 PolarHBondContact O-N 3.2Å
800	F	91.2	Very high	92.7	Very high	16 Å²	16	62.7 Å²	62.7	7%	0.07	34%	0.339	C	S	.	.			trans	-148	169.2	-179.3	58.6	-100.3	0	0	0	113.5	R713 V715 V757 I760 A761 M764 F792 G796	R713-F800 HydrophobicContact CB-CB 4.34Å; R713-F800 WeakPolarHBondContact O-CA 3.36Å; R713-F800 WeakPolarHBondContact O-CB 3.21Å; V715-F800 HydrophobicContact CB-CD2 4.24Å; V715-F800 HydrophobicContact CB-CE2 4.42Å; V715-F800 HydrophobicContact CG2-CB 4.33Å; V715-F800 HydrophobicContact CG2-CD2 3.34Å; V715-F800 HydrophobicContact CG2-CE2 3.6Å; V715-F800 HydrophobicContact CG2-CG 3.83Å; V715-F800 HydrophobicContact CG2-CZ 4.28Å; V757-F800 HydrophobicContact CG1-CE1 4.45Å; V757-F800 HydrophobicContact CG1-CZ 4.1Å; I760-F800 HydrophobicContact CB-CE1 4.01Å; I760-F800 HydrophobicContact CB-CZ 4.35Å; I760-F800 HydrophobicContact CG2-CD1 3.68Å; I760-F800 HydrophobicContact CG2-CE1 3.48Å; I760-F800 VanDerWaalsContact CG2-CE1 3.48Å; I760-F800 HydrophobicContact CG2-CE2 4.45Å; I760-F800 HydrophobicContact CG2-CG 4.24Å; I760-F800 HydrophobicContact CG2-CZ 3.89Å; A761-F800 HydrophobicContact CB-CE1 4.33Å; M764-F800 HydrophobicContact CE-CB 4.41Å; M764-F800 HydrophobicContact CG-CB 4.3Å; M764-F800 HydrophobicContact CG-CD1 4.35Å; F792-F800 HydrophobicContact CB-CE2 4.37Å; F792-F800 HydrophobicContact CD2-CE2 4.39Å; F792-F800 WeakPolarHBondContact O-CE2 2.86Å; G796-F800 PolarHBondContact O-N 2.96Å
801	S	92	Very high	92.8	Very high	37 Å²	37	57.5 Å²	57.5	26%	0.259	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.9	172.3	61.4	0	0	0	0	111.1	R713 R714 V715	R713-S801 PolarHBondContact O-N 3.37Å; R713-S801 PolarHBondContact O-OG 2.9Å; R714-S801 CarbonylContact C-O 3.6Å; R714-S801 VanDerWaalsContact CA-O 3.31Å; R714-S801 WeakPolarHBondContact CA-O 3.34Å; R714-S801 WeakPolarHBondContact CG-O 3.18Å; R714-S801 PolarHBondContact NE-OG 2.95Å; V715-S801 PolarHBondContact N-O 2.98Å
802	T	93.5	Very high	92.8	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	141.4	-178.9	-50.3	0	0	0	0	111.4	V715 I717 M789 F792	V715-T802 HydrophobicContact CB-CG2 4.29Å; V715-T802 HydrophobicContact CG1-CG2 4.38Å; V715-T802 CarbonylContact O-C 3.38Å; V715-T802 WeakPolarHBondContact O-CA 3.43Å; I717-T802 HydrophobicContact CD1-CG2 3.7Å; I717-T802 HydrophobicContact CG1-CG2 4.18Å; M789-T802 HydrophobicContact CB-CG2 4.49Å; M789-T802 HydrophobicContact CG-CG2 4.06Å; F792-T802 HydrophobicContact CB-CG2 3.89Å; F792-T802 WeakPolarHBondContact CB-OG1 3.05Å; F792-T802 HydrophobicContact CD2-CG2 4.29Å
803	R	93.7	Very high	92.6	Very high	125 Å²	125	58.6 Å²	58.6	47%	0.472	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	150.6	174.5	-68.6	-64	179.5	-97.1	8.5	110.5	V715 F716 I717	V715-R803 PolarHBondContact O-N 2.85Å; F716-R803 CarbonylContact C-O 3.51Å; F716-R803 WeakPolarHBondContact CA-O 3.18Å; F716-R803 HydrophobicContact CD1-CB 3.86Å; F716-R803 HydrophobicContact CE1-CB 3.86Å; F716-R803 HydrophobicContact CE1-CG 4.47Å; I717-R803 PolarHBondContact N-O 2.96Å
804	I	94.4	Very high	92.4	Very high	64 Å²	64	59 Å²	59	33%	0.328	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	152.3	174.5	58.4	171.6	0	0	0	110.6	I717 T785 M789	I717-I804 HydrophobicContact CB-CG2 4.34Å; I717-I804 CarbonylContact O-C 3.6Å; I717-I804 VanDerWaalsContact O-CA 3.32Å; I717-I804 WeakPolarHBondContact O-CA 3.45Å; T785-I804 HydrophobicContact CG2-CB 3.9Å; T785-I804 HydrophobicContact CG2-CG2 3.52Å; M789-I804 HydrophobicContact CB-CG2 3.57Å; M789-I804 HydrophobicContact CG-CG2 3.8Å; M789-I804 HydrophobicContact SD-CB 4.33Å; M789-I804 HydrophobicContact SD-CD1 4.33Å; M789-I804 HydrophobicContact SD-CG1 4Å; M789-I804 HydrophobicContact SD-CG2 3.59Å; M789-I804 VanDerWaalsContact SD-CG2 3.59Å
805	N	94.1	Very high	92.3	Very high	55 Å²	55	56.5 Å²	56.5	29%	0.294	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	109.4	166.4	-165.5	-5.8	0	0	0	109.5	V704 I717 V718 E719	V704-N805 WeakPolarHBondContact CG2-ND2 3.44Å; I717-N805 PolarHBondContact O-N 2.95Å; V718-N805 CarbonylContact C-O 3.58Å; V718-N805 WeakPolarHBondContact CA-O 3.47Å; E719-N805 PolarHBondContact N-O 3.17Å
806	V	95.1	Very high	92.5	Very high	76 Å²	76	51.1 Å²	51.1	46%	0.461	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	106.4	177	179	0	0	0	0	107.7	E719 G808	E719-V806 HydrophobicContact CB-CB 4.43Å; E719-V806 HydrophobicContact CB-CG1 4.4Å; E719-V806 HydrophobicContact CB-CG2 4.08Å; E719-V806 WeakPolarHBondContact OE1-CG1 3.26Å; V806-G808 VanDerWaalsContact C-N 3.3Å; V806-G808 PolarHBondContact O-N 3.17Å
807	L	94.4	Very high	92.8	Very high	14 Å²	14	51.6 Å²	51.6	7%	0.073	31%	0.31	C	S	.	.			trans	-70.7	-29.9	-172.5	-54.7	-176.1	0	0	0	112.2	I697 L700 V718 E719 T720 Q811	I697-L807 HydrophobicContact CB-CD1 4.24Å; I697-L807 HydrophobicContact CG1-CD1 3.94Å; I697-L807 HydrophobicContact CG2-CD1 3.85Å; L700-L807 HydrophobicContact CB-CD2 4.01Å; L700-L807 HydrophobicContact CD1-CB 4.36Å; L700-L807 HydrophobicContact CD1-CD1 4.44Å; L700-L807 HydrophobicContact CD1-CD2 4.05Å; V718-L807 HydrophobicContact CG1-CD1 3.68Å; V718-L807 HydrophobicContact CG1-CD2 3.86Å; V718-L807 HydrophobicContact CG1-CG 3.71Å; E719-L807 PolarHBondContact O-N 2.82Å; T720-L807 HydrophobicContact CG2-CD1 4.4Å; L807-Q811 HydrophobicContact CB-CG 3.84Å; L807-Q811 HydrophobicContact CD1-CG 4.38Å
808	G	94.1	Very high	93.2	Very high	23 Å²	23	45.1 Å²	45.1	24%	0.237	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	53.9	-145.5	175.8	0	0	0	0	0	113.4	V806 A810 Q811	V806-G808 VanDerWaalsContact C-N 3.3Å; V806-G808 PolarHBondContact O-N 3.17Å; G808-A810 PolarHBondContact O-N 3.03Å; G808-A810 VanDerWaalsContact O-N 3.1Å; G808-Q811 WeakPolarHBondContact O-CB 3.34Å; G808-Q811 WeakPolarHBondContact O-CG 3.16Å; G808-Q811 PolarHBondContact O-N 2.92Å; G808-Q811 PolarHBondContact O-NE2 2.89Å
809	H	94.4	Very high	93.5	Very high	138 Å²	138	43.2 Å²	43.2	64%	0.639	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-66.3	-11.4	-173	-69	85.1	0	0	0	115	Q811 Q812	H809-Q811 PolarHBondContact O-N 3.45Å; H809-Q811 VanDerWaalsContact O-N 3.11Å; H809-Q812 WeakPolarHBondContact O-CB 3.41Å; H809-Q812 PolarHBondContact O-N 3.38Å
810	A	94.1	Very high	93.9	Very high	54 Å²	54	39.7 Å²	39.7	45%	0.446	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-57.8	-25.4	172.9	0	0	0	0	0	112.4	L700 G808 Q812 G813	L700-A810 HydrophobicContact CD1-CB 4.17Å; G808-A810 PolarHBondContact O-N 3.03Å; G808-A810 VanDerWaalsContact O-N 3.1Å; A810-Q812 PolarHBondContact O-N 3.33Å; A810-Q812 VanDerWaalsContact O-N 3.16Å; A810-G813 PolarHBondContact O-N 3.2Å
811	Q	95.6	Very high	94.1	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-64.2	-11.4	174.8	-63.2	171.1	90.2	0	0	114.2	I677 A693 I697 T720 M721 L807 G808 H809 G813	I677-Q811 HydrophobicContact CD1-CB 4.32Å; A693-Q811 WeakPolarHBondContact CA-O 2.86Å; A693-Q811 WeakPolarHBondContact CB-O 3.28Å; I697-Q811 HydrophobicContact CD1-CG 4.25Å; I697-Q811 HydrophobicContact CG1-CG 3.76Å; T720-Q811 VanDerWaalsContact CA-OE1 3.23Å; M721-Q811 VanDerWaalsContact CG-NE2 3.34Å; M721-Q811 VanDerWaalsContact N-NE2 3.14Å; L807-Q811 HydrophobicContact CB-CG 3.84Å; L807-Q811 HydrophobicContact CD1-CG 4.38Å; G808-Q811 WeakPolarHBondContact O-CB 3.34Å; G808-Q811 WeakPolarHBondContact O-CG 3.16Å; G808-Q811 PolarHBondContact O-N 2.92Å; G808-Q811 PolarHBondContact O-NE2 2.89Å; H809-Q811 PolarHBondContact O-N 3.45Å; H809-Q811 VanDerWaalsContact O-N 3.11Å; Q811-G813 VanDerWaalsContact C-N 3.3Å
812	Q	93.8	Very high	94.1	Very high	39 Å²	39	37.9 Å²	37.9	18%	0.182	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-76.8	-18.2	174.3	-68.8	177.7	-9.4	0	0	113.1	C561 I677 H809 A810	C561-Q812 PolarHBondContact SG-O 2.98Å; I677-Q812 HydrophobicContact CD1-CG 4.21Å; H809-Q812 WeakPolarHBondContact O-CB 3.41Å; H809-Q812 PolarHBondContact O-N 3.38Å; A810-Q812 PolarHBondContact O-N 3.33Å; A810-Q812 VanDerWaalsContact O-N 3.16Å
813	G	90.9	Very high	94.1	Very high	21 Å²	21	38.4 Å²	38.4	22%	0.216	23%	0.226	C	C	.	.			trans	75.4	156.3	-175.9	0	0	0	0	0	114.1	A810 Q811	A810-G813 PolarHBondContact O-N 3.2Å; Q811-G813 VanDerWaalsContact C-N 3.3Å
814	G	89.8	Confident	94.2	Very high	55 Å²	55	32.4 Å²	32.4	57%	0.567	20%	0.204	S	C	*	.	S	Bend	trans	-90.3	-51.9	171.6	0	0	0	0	0	112.2	G611	G611-G814 WeakPolarHBondContact CA-O 3.42Å; G611-G814 PolarHBondContact N-O 2.97Å
815	S	92.2	Very high	94.1	Very high	63 Å²	63	29.4 Å²	29.4	44%	0.441	19%	0.188	S	C	.	.	S	Bend	trans	-116	136.4	177	-57.3	0	0	0	0	109.8
816	P	95.6	Very high	94	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.019	18%	0.181	C	C	.	.			trans	-67.8	144.8	177.5	25.1	-30.9	0	0	0	111.3	C561 S608 M609 D820 R821	C561-P816 HydrophobicContact CB-CB 3.74Å; S608-P816 WeakPolarHBondContact O-CG 3.42Å; M609-P816 WeakPolarHBondContact O-CD 3.09Å; P816-D820 HydrophobicContact CB-CB 4.45Å; P816-R821 HydrophobicContact CB-CG 3.84Å; P816-R821 HydrophobicContact CG-CG 3.64Å; P816-R821 PolarHBondContact O-NE 3.19Å; P816-R821 PolarHBondContact O-NH2 3.17Å; P816-R821 VanDerWaalsContact O-NH2 3.09Å
817	T	96.5	Very high	93.9	Very high	10 Å²	10	25 Å²	25	6%	0.061	16%	0.16	C	C	.	.			trans	-67.5	160.7	176.3	60.7	0	0	0	0	111.9	H326 D691 T692 N695 F819 D820 R821	H326-T817 VanDerWaalsContact CE1-CG2 3.49Å; H326-T817 WeakPolarHBondContact CE1-CG2 3.1Å; D691-T817 VanDerWaalsContact OD2-CB 3.23Å; D691-T817 WeakPolarHBondContact OD2-CB 3.05Å; D691-T817 WeakPolarHBondContact OD2-CG2 3.42Å; D691-T817 PolarHBondContact OD2-OG1 3.48Å; T692-T817 HydrophobicContact CG2-CG2 4.26Å; T692-T817 PolarHBondContact OG1-N 3.34Å; T692-T817 VanDerWaalsContact OG1-N 3.14Å; T692-T817 PolarHBondContact OG1-OG1 3.49Å; N695-T817 HydrophobicContact CB-CG2 4.26Å; T817-F819 PolarHBondContact O-N 3.32Å; T817-D820 PolarHBondContact O-N 3.02Å; T817-D820 PolarHBondContact OG1-N 2.99Å; T817-R821 WeakPolarHBondContact O-CG 3.43Å; T817-R821 PolarHBondContact O-N 2.85Å
818	P	95.5	Very high	93.9	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.019	16%	0.156	C	C	.	.	H	α-helix	trans	-56.3	-37.7	175.4	-17.9	28	0	0	0	112.1	L325 H326 I329 N822	L325-P818 HydrophobicContact CB-CB 3.79Å; L325-P818 HydrophobicContact CB-CG 3.92Å; H326-P818 HydrophobicContact CB-CG 4.47Å; H326-P818 VanDerWaalsContact CD2-CD 3.48Å; H326-P818 WeakPolarHBondContact CD2-CD 3.49Å; I329-P818 HydrophobicContact CB-CG 4.13Å; I329-P818 HydrophobicContact CG1-CB 4.03Å; I329-P818 HydrophobicContact CG1-CG 3.84Å; P818-N822 VanDerWaalsContact O-CB 3.27Å; P818-N822 WeakPolarHBondContact O-CB 3.35Å; P818-N822 PolarHBondContact O-N 3.48Å
819	F	94.2	Very high	93.8	Very high	36 Å²	36	23.5 Å²	23.5	16%	0.158	15%	0.147	C	C	.	.	H	α-helix	trans	-59.3	-55.4	175	-171.8	-88.1	0	0	0	111.3	F451 D691 T817 R821 N822 L823	F451-F819 HydrophobicContact CD2-CD2 4.42Å; F451-F819 HydrophobicContact CD2-CE2 4.17Å; F451-F819 HydrophobicContact CE2-CE2 4.01Å; D691-F819 HydrophobicContact CB-CB 4.39Å; D691-F819 HydrophobicContact CB-CD1 3.75Å; D691-F819 HydrophobicContact CB-CE1 4.43Å; D691-F819 HydrophobicContact CB-CG 4.32Å; T817-F819 PolarHBondContact O-N 3.32Å; F819-R821 PolarHBondContact O-N 3.05Å; F819-N822 PolarHBondContact O-N 2.98Å; F819-L823 HydrophobicContact CD1-CD2 4.45Å; F819-L823 HydrophobicContact CE1-CD2 3.81Å; F819-L823 WeakPolarHBondContact O-CB 3.41Å; F819-L823 PolarHBondContact O-N 2.8Å
820	D	96.1	Very high	93.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.9	-39.5	-179.6	-81.6	-38.2	0	0	0	112.6	G689 T692 P816 T817 A824	G689-D820 WeakPolarHBondContact CA-OD2 3.31Å; G689-D820 PolarHBondContact N-OD1 2.86Å; G689-D820 PolarHBondContact N-OD2 3.43Å; T692-D820 WeakPolarHBondContact CB-OD2 3.48Å; T692-D820 PolarHBondContact N-OD2 2.85Å; T692-D820 PolarHBondContact OG1-OD2 3.25Å; P816-D820 HydrophobicContact CB-CB 4.45Å; T817-D820 PolarHBondContact O-N 3.02Å; T817-D820 PolarHBondContact OG1-N 2.99Å; D820-A824 WeakPolarHBondContact O-CB 3.39Å; D820-A824 PolarHBondContact O-N 3.05Å
821	R	95.4	Very high	93.7	Very high	3 Å²	3	16.7 Å²	16.7	1%	0.011	11%	0.106	C	C	.	.	H	α-helix	trans	-59.9	-47.2	174.7	-69.2	-172.4	-149.7	-167.9	1.7	111.5	D333 A365 S608 P816 T817 F819 T825	D333-R821 IonicContact OD1-CZ 3.74Å; D333-R821 IonicContact OD1-NH1 2.81Å; D333-R821 PolarHBondContact OD1-NH1 3.31Å; D333-R821 IonicContact OD1-NH2 3.23Å; D333-R821 IonicContact OD2-CZ 3.34Å; D333-R821 IonicContact OD2-NH1 2.78Å; D333-R821 PolarHBondContact OD2-NH1 2.79Å; D333-R821 IonicContact OD2-NH2 2.97Å; D333-R821 PolarHBondContact OD2-NH2 3.43Å; A365-R821 HydrophobicContact CB-CB 3.84Å; A365-R821 WeakPolarHBondContact O-CD 3.32Å; S608-R821 WeakPolarHBondContact O-CD 3.22Å; S608-R821 WeakPolarHBondContact O-CG 3.13Å; P816-R821 HydrophobicContact CB-CG 3.84Å; P816-R821 HydrophobicContact CG-CG 3.64Å; P816-R821 PolarHBondContact O-NE 3.19Å; P816-R821 PolarHBondContact O-NH2 3.17Å; P816-R821 VanDerWaalsContact O-NH2 3.09Å; T817-R821 WeakPolarHBondContact O-CG 3.43Å; T817-R821 PolarHBondContact O-N 2.85Å; F819-R821 PolarHBondContact O-N 3.05Å; R821-T825 VanDerWaalsContact O-CB 3.27Å; R821-T825 WeakPolarHBondContact O-CB 3.14Å; R821-T825 PolarHBondContact O-N 2.92Å; R821-T825 VanDerWaalsContact O-N 3.09Å; R821-T825 PolarHBondContact O-OG1 3.34Å
822	N	93.6	Very high	93.6	Very high	12 Å²	12	16.7 Å²	16.7	6%	0.064	11%	0.106	C	C	.	.	H	α-helix	trans	-70.4	-44.8	-178.9	-172.2	15.1	0	0	0	111.6	V361 P818 F819 T825 R826	V361-N822 HydrophobicContact CG1-CB 4.25Å; V361-N822 WeakPolarHBondContact CG1-ND2 3.37Å; P818-N822 VanDerWaalsContact O-CB 3.27Å; P818-N822 WeakPolarHBondContact O-CB 3.35Å; P818-N822 PolarHBondContact O-N 3.48Å; F819-N822 PolarHBondContact O-N 2.98Å; N822-T825 PolarHBondContact O-N 3.5Å; N822-R826 WeakPolarHBondContact O-CB 3.33Å; N822-R826 WeakPolarHBondContact O-CD 3.36Å; N822-R826 VanDerWaalsContact O-CG 3.3Å; N822-R826 WeakPolarHBondContact O-CG 3.46Å; N822-R826 PolarHBondContact O-N 2.84Å; N822-R826 WeakPolarHBondContact OD1-CD 3.49Å
823	L	92.7	Very high	93.5	Very high	11 Å²	11	18.3 Å²	18.3	6%	0.058	11%	0.114	C	C	.	.	H	α-helix	trans	-59.8	-49.3	178.7	-175	63.1	0	0	0	111.3	I688 F819 T825 R826 M827 M862	I688-L823 HydrophobicContact CG1-CB 4.44Å; I688-L823 HydrophobicContact CG1-CD2 3.94Å; I688-L823 HydrophobicContact CG1-CG 3.96Å; F819-L823 HydrophobicContact CD1-CD2 4.45Å; F819-L823 HydrophobicContact CE1-CD2 3.81Å; F819-L823 WeakPolarHBondContact O-CB 3.41Å; F819-L823 PolarHBondContact O-N 2.8Å; L823-T825 VanDerWaalsContact C-N 3.33Å; L823-T825 PolarHBondContact O-N 3.32Å; L823-R826 PolarHBondContact O-N 2.73Å; L823-M827 HydrophobicContact CD1-CE 3.67Å; L823-M827 HydrophobicContact CD1-CG 4.19Å; L823-M827 HydrophobicContact CD1-SD 3.75Å; L823-M827 HydrophobicContact CD2-SD 4.41Å; L823-M827 HydrophobicContact CG-CE 4.21Å; L823-M827 HydrophobicContact CG-SD 3.77Å; L823-M827 WeakPolarHBondContact O-CB 3.41Å; L823-M827 WeakPolarHBondContact O-CG 3.48Å; L823-M827 PolarHBondContact O-N 3.35Å; L823-M862 HydrophobicContact CD1-SD 3.86Å
824	A	95.4	Very high	93.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-56	-46.9	174.3	0	0	0	0	0	112.2	G562 A565 A566 I688 D820 A828	G562-A824 WeakPolarHBondContact O-CB 3.45Å; A565-A824 HydrophobicContact CB-CB 3.93Å; A566-A824 HydrophobicContact CB-CB 4.04Å; I688-A824 HydrophobicContact CD1-CB 4.04Å; I688-A824 HydrophobicContact CG1-CB 4.35Å; I688-A824 HydrophobicContact CG2-CB 3.92Å; D820-A824 WeakPolarHBondContact O-CB 3.39Å; D820-A824 PolarHBondContact O-N 3.05Å; A824-A828 VanDerWaalsContact O-CB 3.22Å; A824-A828 WeakPolarHBondContact O-CB 3.11Å; A824-A828 PolarHBondContact O-N 2.82Å
825	T	93.6	Very high	93.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.8	-48.3	-179.6	-63	0	0	0	0	111.8	L364 T527 L531 S569 R821 N822 L823 A829	L364-T825 HydrophobicContact CD2-CG2 4.34Å; T527-T825 HydrophobicContact CG2-CG2 4.08Å; L531-T825 HydrophobicContact CD1-CG2 3.26Å; S569-T825 WeakPolarHBondContact CB-O 3.33Å; S569-T825 PolarHBondContact OG-O 2.86Å; R821-T825 VanDerWaalsContact O-CB 3.27Å; R821-T825 WeakPolarHBondContact O-CB 3.14Å; R821-T825 PolarHBondContact O-N 2.92Å; R821-T825 VanDerWaalsContact O-N 3.09Å; R821-T825 PolarHBondContact O-OG1 3.34Å; N822-T825 PolarHBondContact O-N 3.5Å; L823-T825 VanDerWaalsContact C-N 3.33Å; L823-T825 PolarHBondContact O-N 3.32Å; T825-A829 PolarHBondContact O-N 3.25Å; T825-A829 VanDerWaalsContact O-N 3.16Å
826	R	90.8	Very high	93.9	Very high	36 Å²	36	12.6 Å²	12.6	14%	0.136	6%	0.061	C	C	.	.	H	α-helix	trans	-66.4	-43.1	179.5	-71.7	162	54.9	143.4	-13.1	113.2	S520 N524 N822 L823 H830	S520-R826 PolarHBondContact OG-NH1 2.68Å; S520-R826 VanDerWaalsContact OG-NH1 3.13Å; N524-R826 VanDerWaalsContact OD1-CD 3.3Å; N524-R826 WeakPolarHBondContact OD1-CD 3.34Å; N524-R826 PolarHBondContact OD1-NH1 3.34Å; N822-R826 WeakPolarHBondContact O-CB 3.33Å; N822-R826 WeakPolarHBondContact O-CD 3.36Å; N822-R826 VanDerWaalsContact O-CG 3.3Å; N822-R826 WeakPolarHBondContact O-CG 3.46Å; N822-R826 PolarHBondContact O-N 2.84Å; N822-R826 WeakPolarHBondContact OD1-CD 3.49Å; L823-R826 PolarHBondContact O-N 2.73Å; R826-H830 PolarHBondContact O-N 3.32Å
827	M	93.3	Very high	93.8	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.02	8%	0.079	C	C	.	.	H	α-helix	trans	-69.6	-43.4	-179.1	-74.6	176.2	156.5	0	0	111	L673 I688 L823 A829 H830 A831 L860 M862 T867	L673-M827 HydrophobicContact CD1-CB 3.57Å; L673-M827 HydrophobicContact CD1-CG 4.12Å; L673-M827 HydrophobicContact CD1-SD 3.58Å; L673-M827 VanDerWaalsContact CD1-SD 3.58Å; L673-M827 HydrophobicContact CD2-CB 4.22Å; I688-M827 HydrophobicContact CD1-SD 3.89Å; I688-M827 HydrophobicContact CG1-SD 4.27Å; L823-M827 HydrophobicContact CD1-CE 3.67Å; L823-M827 HydrophobicContact CD1-CG 4.19Å; L823-M827 HydrophobicContact CD1-SD 3.75Å; L823-M827 HydrophobicContact CD2-SD 4.41Å; L823-M827 HydrophobicContact CG-CE 4.21Å; L823-M827 HydrophobicContact CG-SD 3.77Å; L823-M827 WeakPolarHBondContact O-CB 3.41Å; L823-M827 WeakPolarHBondContact O-CG 3.48Å; L823-M827 PolarHBondContact O-N 3.35Å; M827-A829 PolarHBondContact O-N 3.47Å; M827-H830 PolarHBondContact O-N 3.41Å; M827-A831 PolarHBondContact O-N 3.44Å; M827-L860 HydrophobicContact CB-CD2 4.12Å; M827-L860 WeakPolarHBondContact O-CD2 3.33Å; M827-M862 HydrophobicContact CE-CG 3.65Å; M827-M862 HydrophobicContact CE-SD 4.06Å; M827-T867 HydrophobicContact CE-CG2 4.1Å; M827-T867 HydrophobicContact CG-CG2 4.46Å
828	A	95.1	Very high	93.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.9	-37.1	176.7	0	0	0	0	0	113.3	A566 F570 F642 A824 H830 A831 V832	A566-A828 HydrophobicContact CB-CB 4.13Å; A566-A828 WeakPolarHBondContact O-CB 3.38Å; F570-A828 HydrophobicContact CB-CB 4.27Å; F642-A828 HydrophobicContact CE1-CB 4.13Å; F642-A828 HydrophobicContact CZ-CB 4.09Å; A824-A828 VanDerWaalsContact O-CB 3.22Å; A824-A828 WeakPolarHBondContact O-CB 3.11Å; A824-A828 PolarHBondContact O-N 2.82Å; A828-H830 VanDerWaalsContact C-N 3.34Å; A828-H830 PolarHBondContact O-N 3.09Å; A828-A831 WeakPolarHBondContact O-CB 3.45Å; A828-A831 PolarHBondContact O-N 3.04Å; A828-V832 PolarHBondContact O-N 2.79Å; A828-V832 VanDerWaalsContact O-N 3.16Å
829	A	91.8	Very high	93.5	Very high	5 Å²	5	16.1 Å²	16.1	4%	0.041	8%	0.082	C	C	.	.	H	α-helix	trans	-58.9	-46.5	172.9	0	0	0	0	0	111.4	T527 N573 T825 M827 A831 V832 E833	T527-A829 HydrophobicContact CG2-CB 4.23Å; N573-A829 WeakPolarHBondContact ND2-CB 3.47Å; T825-A829 PolarHBondContact O-N 3.25Å; T825-A829 VanDerWaalsContact O-N 3.16Å; M827-A829 PolarHBondContact O-N 3.47Å; A829-A831 VanDerWaalsContact C-N 3.35Å; A829-A831 PolarHBondContact O-N 2.95Å; A829-V832 WeakPolarHBondContact O-CB 3.41Å; A829-V832 PolarHBondContact O-N 3.44Å; A829-E833 PolarHBondContact O-N 3.18Å
830	H	91.5	Very high	93.3	Very high	49 Å²	49	20.8 Å²	20.8	23%	0.227	10%	0.098	C	C	.	.	H	α-helix	trans	-71.2	-27.3	178.6	-169.6	61.6	0	0	0	114.1	R523 R826 M827 A828 V832 E833 T834 L860	R523-H830 VanDerWaalsContact NH2-CB 3.27Å; R523-H830 VanDerWaalsContact NH2-CG 3.26Å; R826-H830 PolarHBondContact O-N 3.32Å; M827-H830 PolarHBondContact O-N 3.41Å; A828-H830 VanDerWaalsContact C-N 3.34Å; A828-H830 PolarHBondContact O-N 3.09Å; H830-V832 VanDerWaalsContact C-N 3.33Å; H830-E833 IonicContact CE1-OE2 2.79Å; H830-E833 IonicContact CG-OE2 2.73Å; H830-E833 IonicContact ND1-OE2 2.65Å; H830-E833 PolarHBondContact ND1-OE2 2.97Å; H830-E833 PolarHBondContact O-N 3.01Å; H830-T834 WeakPolarHBondContact O-CB 3.42Å; H830-T834 PolarHBondContact O-N 3.18Å; H830-T834 PolarHBondContact O-OG1 3.32Å; H830-L860 HydrophobicContact CB-CD2 4.22Å
831	A	95.1	Very high	93.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.1	-39.1	170.4	0	0	0	0	0	111.3	F642 V671 M827 A828 A829 T834 L835 L860	F642-A831 HydrophobicContact CD2-CB 3.78Å; F642-A831 HydrophobicContact CE2-CB 3.25Å; F642-A831 HydrophobicContact CZ-CB 3.71Å; V671-A831 HydrophobicContact CB-CB 4.39Å; V671-A831 HydrophobicContact CG1-CB 3.81Å; M827-A831 PolarHBondContact O-N 3.44Å; A828-A831 WeakPolarHBondContact O-CB 3.45Å; A828-A831 PolarHBondContact O-N 3.04Å; A829-A831 VanDerWaalsContact C-N 3.35Å; A829-A831 PolarHBondContact O-N 2.95Å; A831-T834 PolarHBondContact O-N 3.33Å; A831-L835 WeakPolarHBondContact O-CB 3.48Å; A831-L835 WeakPolarHBondContact O-CD1 3.3Å; A831-L835 VanDerWaalsContact O-CG 3.26Å; A831-L835 WeakPolarHBondContact O-CG 3.46Å; A831-L835 PolarHBondContact O-N 2.89Å; A831-L860 HydrophobicContact CB-CD2 4.14Å
832	V	93.8	Very high	92.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63	-48.8	172.8	178	0	0	0	0	111	F570 N573 A574 A828 A829 H830 T834 L835 V836	F570-V832 HydrophobicContact CB-CG2 4.44Å; F570-V832 HydrophobicContact CD2-CG2 3.35Å; F570-V832 HydrophobicContact CE2-CG2 3.76Å; F570-V832 HydrophobicContact CG-CG2 4.05Å; N573-V832 HydrophobicContact CB-CB 4.17Å; N573-V832 HydrophobicContact CB-CG1 4.27Å; N573-V832 HydrophobicContact CB-CG2 3.99Å; A574-V832 HydrophobicContact CB-CG1 4.05Å; A574-V832 HydrophobicContact CB-CG2 4.14Å; A828-V832 PolarHBondContact O-N 2.79Å; A828-V832 VanDerWaalsContact O-N 3.16Å; A829-V832 WeakPolarHBondContact O-CB 3.41Å; A829-V832 PolarHBondContact O-N 3.44Å; H830-V832 VanDerWaalsContact C-N 3.33Å; V832-T834 VanDerWaalsContact C-N 3.27Å; V832-T834 PolarHBondContact O-N 2.82Å; V832-L835 PolarHBondContact O-N 2.94Å; V832-V836 HydrophobicContact CG1-CG2 4.01Å; V832-V836 WeakPolarHBondContact O-CB 3.31Å; V832-V836 VanDerWaalsContact O-CG2 3.31Å; V832-V836 WeakPolarHBondContact O-CG2 3.48Å; V832-V836 PolarHBondContact O-N 3.39Å
833	E	91.2	Very high	92.7	Very high	74 Å²	74	26.7 Å²	26.7	35%	0.346	13%	0.129	S	C	.	.	H	α-helix	trans	-53.8	-45.8	176.5	-64.7	171.4	161.3	0	0	111.4	L543 A829 H830 S837	L543-E833 HydrophobicContact CD1-CB 4.4Å; L543-E833 HydrophobicContact CD1-CG 4.03Å; A829-E833 PolarHBondContact O-N 3.18Å; H830-E833 IonicContact CE1-OE2 2.79Å; H830-E833 IonicContact CG-OE2 2.73Å; H830-E833 IonicContact ND1-OE2 2.65Å; H830-E833 PolarHBondContact ND1-OE2 2.97Å; H830-E833 PolarHBondContact O-N 3.01Å; E833-S837 VanDerWaalsContact O-CB 3.3Å; E833-S837 WeakPolarHBondContact O-CB 3.39Å; E833-S837 PolarHBondContact O-N 2.71Å
834	T	93.2	Very high	92.5	Very high	19 Å²	19	29.7 Å²	29.7	12%	0.117	14%	0.143	C	C	.	.	H	α-helix	trans	-63.6	-49.8	178.7	-58.1	0	0	0	0	111.6	V671 H830 A831 V832 S837 K838 V858	V671-T834 HydrophobicContact CG2-CG2 3.96Å; H830-T834 WeakPolarHBondContact O-CB 3.42Å; H830-T834 PolarHBondContact O-N 3.18Å; H830-T834 PolarHBondContact O-OG1 3.32Å; A831-T834 PolarHBondContact O-N 3.33Å; V832-T834 VanDerWaalsContact C-N 3.27Å; V832-T834 PolarHBondContact O-N 2.82Å; T834-S837 PolarHBondContact O-N 3.3Å; T834-K838 WeakPolarHBondContact O-CB 3.4Å; T834-K838 WeakPolarHBondContact O-CG 3.44Å; T834-K838 PolarHBondContact O-N 3.15Å; T834-V858 HydrophobicContact CG2-CG2 4.13Å
835	L	95.2	Very high	92	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.9	-44.9	179.9	-74.6	164.9	0	0	0	111.6	F570 F642 P669 V671 A831 V832 K838 A839	F570-L835 HydrophobicContact CE2-CD1 3.72Å; F570-L835 HydrophobicContact CZ-CD1 4.32Å; F642-L835 HydrophobicContact CB-CD1 4.03Å; P669-L835 HydrophobicContact CB-CD2 3.65Å; P669-L835 WeakPolarHBondContact O-CD2 3.44Å; V671-L835 HydrophobicContact CB-CD1 4.4Å; V671-L835 HydrophobicContact CB-CD2 4.35Å; V671-L835 HydrophobicContact CB-CG 4.28Å; V671-L835 HydrophobicContact CG2-CD1 4.29Å; V671-L835 HydrophobicContact CG2-CD2 3.77Å; V671-L835 HydrophobicContact CG2-CG 3.67Å; A831-L835 WeakPolarHBondContact O-CB 3.48Å; A831-L835 WeakPolarHBondContact O-CD1 3.3Å; A831-L835 VanDerWaalsContact O-CG 3.26Å; A831-L835 WeakPolarHBondContact O-CG 3.46Å; A831-L835 PolarHBondContact O-N 2.89Å; V832-L835 PolarHBondContact O-N 2.94Å; L835-K838 PolarHBondContact O-N 2.99Å; L835-A839 WeakPolarHBondContact O-CB 3.5Å; L835-A839 PolarHBondContact O-N 3.16Å
836	V	92.7	Very high	91.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-67.3	-40.6	179.3	174.6	0	0	0	0	111.5	L543 F549 L551 V832 R840	L543-V836 HydrophobicContact CB-CG1 3.91Å; F549-V836 HydrophobicContact CD2-CG1 4.43Å; F549-V836 HydrophobicContact CE2-CG1 4.34Å; L551-V836 HydrophobicContact CD1-CG2 4.07Å; V832-V836 HydrophobicContact CG1-CG2 4.01Å; V832-V836 WeakPolarHBondContact O-CB 3.31Å; V832-V836 VanDerWaalsContact O-CG2 3.31Å; V832-V836 WeakPolarHBondContact O-CG2 3.48Å; V832-V836 PolarHBondContact O-N 3.39Å; V836-R840 VanDerWaalsContact O-CB 3.28Å; V836-R840 WeakPolarHBondContact O-CB 3.4Å; V836-R840 PolarHBondContact O-N 2.77Å
837	S	92.4	Very high	91	Very high	58 Å²	58	42.6 Å²	42.6	41%	0.406	23%	0.234	S	C	.	.	H	α-helix	trans	-62.1	-50.3	174.3	-170.2	0	0	0	0	111.4	E833 T834 A839 R840 E841	E833-S837 VanDerWaalsContact O-CB 3.3Å; E833-S837 WeakPolarHBondContact O-CB 3.39Å; E833-S837 PolarHBondContact O-N 2.71Å; T834-S837 PolarHBondContact O-N 3.3Å; S837-A839 VanDerWaalsContact C-N 3.35Å; S837-A839 PolarHBondContact O-N 3.29Å; S837-R840 WeakPolarHBondContact O-CB 2.75Å; S837-R840 PolarHBondContact O-N 3.49Å; S837-E841 WeakPolarHBondContact O-CG 3.18Å; S837-E841 PolarHBondContact O-N 3.1Å; S837-E841 PolarHBondContact OG-OE1 2.85Å
838	K	93.4	Very high	90.8	Very high	32 Å²	32	45.6 Å²	45.6	14%	0.139	25%	0.253	C	S	.	.	H	α-helix	trans	-69.4	-31.4	-178.8	-67.4	-70.4	157.8	-160.7	0	112.9	P669 T834 L835 E841 G842 D855	P669-K838 HydrophobicContact CB-CB 3.87Å; P669-K838 HydrophobicContact CG-CB 3.73Å; T834-K838 WeakPolarHBondContact O-CB 3.4Å; T834-K838 WeakPolarHBondContact O-CG 3.44Å; T834-K838 PolarHBondContact O-N 3.15Å; L835-K838 PolarHBondContact O-N 2.99Å; K838-E841 WeakPolarHBondContact CE-OE1 3.15Å; K838-E841 VanDerWaalsContact NZ-CD 3.35Å; K838-E841 IonicContact NZ-OE1 2.86Å; K838-E841 PolarHBondContact NZ-OE1 2.94Å; K838-E841 VanDerWaalsContact NZ-OE1 3.15Å; K838-E841 IonicContact NZ-OE2 2.94Å; K838-E841 PolarHBondContact NZ-OE2 3.05Å; K838-G842 PolarHBondContact O-N 3.23Å; K838-G842 VanDerWaalsContact O-N 3.15Å; K838-D855 WeakPolarHBondContact CE-OD2 3.49Å; K838-D855 IonicContact NZ-OD1 2.66Å; K838-D855 IonicContact NZ-OD2 3.81Å; K838-D855 PolarHBondContact NZ-OD2 3.25Å
839	A	92.8	Very high	90.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.8	-46.7	172	0	0	0	0	0	110.5	F549 P669 L835 S837 E841 G842 V843 V849	F549-A839 HydrophobicContact CD1-CB 3.89Å; F549-A839 HydrophobicContact CD2-CB 4.06Å; F549-A839 HydrophobicContact CE1-CB 3.83Å; F549-A839 HydrophobicContact CE2-CB 3.99Å; F549-A839 HydrophobicContact CG-CB 4.01Å; F549-A839 HydrophobicContact CZ-CB 3.88Å; P669-A839 HydrophobicContact CG-CB 4.15Å; L835-A839 WeakPolarHBondContact O-CB 3.5Å; L835-A839 PolarHBondContact O-N 3.16Å; S837-A839 VanDerWaalsContact C-N 3.35Å; S837-A839 PolarHBondContact O-N 3.29Å; A839-E841 PolarHBondContact O-N 3.19Å; A839-G842 CarbonylContact O-C 3.59Å; A839-G842 PolarHBondContact O-N 2.8Å; A839-V843 WeakPolarHBondContact O-CG2 3.49Å; A839-V843 PolarHBondContact O-N 3.47Å; A839-V843 VanDerWaalsContact O-N 3.15Å; A839-V849 HydrophobicContact CB-CG1 4.32Å; A839-V849 HydrophobicContact CB-CG2 4.06Å
840	R	91	Very high	90.6	Very high	133 Å²	133	49.9 Å²	49.9	50%	0.502	27%	0.27	S	S	.	.	H	α-helix	trans	-61.2	-40.7	175.7	-175.9	176.3	172.4	-173.8	-4.5	113	L543 F549 V836 S837 G842	L543-R840 WeakPolarHBondContact O-CD 2.82Å; L543-R840 PolarHBondContact O-NH1 3.05Å; L543-R840 VanDerWaalsContact O-NH1 3.08Å; F549-R840 HydrophobicContact CE2-CB 4.42Å; F549-R840 HydrophobicContact CZ-CB 4.21Å; V836-R840 VanDerWaalsContact O-CB 3.28Å; V836-R840 WeakPolarHBondContact O-CB 3.4Å; V836-R840 PolarHBondContact O-N 2.77Å; S837-R840 WeakPolarHBondContact O-CB 2.75Å; S837-R840 PolarHBondContact O-N 3.49Å; R840-G842 PolarHBondContact O-N 2.76Å
841	E	91.3	Very high	90.6	Very high	94 Å²	94	47.9 Å²	47.9	44%	0.439	26%	0.262	S	S	.	.	H	α-helix	trans	-63.8	-26.1	173.1	-72.6	169.3	-130.1	0	0	113.2	S837 K838 A839	S837-E841 WeakPolarHBondContact O-CG 3.18Å; S837-E841 PolarHBondContact O-N 3.1Å; S837-E841 PolarHBondContact OG-OE1 2.85Å; K838-E841 WeakPolarHBondContact CE-OE1 3.15Å; K838-E841 VanDerWaalsContact NZ-CD 3.35Å; K838-E841 IonicContact NZ-OE1 2.86Å; K838-E841 PolarHBondContact NZ-OE1 2.94Å; K838-E841 VanDerWaalsContact NZ-OE1 3.15Å; K838-E841 IonicContact NZ-OE2 2.94Å; K838-E841 PolarHBondContact NZ-OE2 3.05Å; A839-E841 PolarHBondContact O-N 3.19Å
842	G	90.1	Very high	90.4	Very high	4 Å²	4	52.4 Å²	52.4	4%	0.041	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	3.7	-178.2	0	0	0	0	0	115.6	K838 A839 R840 Q844 Y850	K838-G842 PolarHBondContact O-N 3.23Å; K838-G842 VanDerWaalsContact O-N 3.15Å; A839-G842 CarbonylContact O-C 3.59Å; A839-G842 PolarHBondContact O-N 2.8Å; R840-G842 PolarHBondContact O-N 2.76Å; G842-Q844 PolarHBondContact O-N 3.3Å; G842-Q844 PolarHBondContact O-NE2 2.82Å; G842-Y850 VanDerWaalsContact CA-O 3.28Å; G842-Y850 WeakPolarHBondContact CA-O 3.09Å; G842-Y850 PolarHBondContact O-N 3.04Å; G842-Y850 VanDerWaalsContact O-O 3.1Å
843	V	90.6	Very high	90.3	Very high	41 Å²	41	57.4 Å²	57.4	25%	0.248	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-62.8	121.6	-178	175.7	0	0	0	0	110.9	F549 A839	F549-V843 HydrophobicContact CE1-CG2 3.71Å; F549-V843 HydrophobicContact CZ-CG2 3.82Å; A839-V843 WeakPolarHBondContact O-CG2 3.49Å; A839-V843 PolarHBondContact O-N 3.47Å; A839-V843 VanDerWaalsContact O-N 3.15Å
844	Q	89	Confident	90.2	Very high	75 Å²	75	59.9 Å²	59.9	35%	0.35	32%	0.319	S	S	.	.			trans	-88.9	159.7	174.1	-59.6	-57.7	-48.8	0	0	111.2	G842 N846 G847 T848	G842-Q844 PolarHBondContact O-N 3.3Å; G842-Q844 PolarHBondContact O-NE2 2.82Å; Q844-N846 VanDerWaalsContact CB-OD1 3.23Å; Q844-N846 WeakPolarHBondContact CB-OD1 3.07Å; Q844-N846 PolarHBondContact O-N 3.21Å; Q844-G847 PolarHBondContact O-N 3.42Å; Q844-T848 VanDerWaalsContact CB-O 3.32Å; Q844-T848 WeakPolarHBondContact CB-O 3.05Å; Q844-T848 WeakPolarHBondContact CG-O 3.47Å; Q844-T848 PolarHBondContact N-O 2.83Å
845	P	84.6	Confident	90.2	Very high	138 Å²	138	62 Å²	62	90%	0.896	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.4	-178.5	-26.5	35.7	0	0	0	115.6	G847	P845-G847 VanDerWaalsContact C-N 3.29Å
846	N	83.2	Confident	90.2	Very high	117 Å²	117	62.1 Å²	62.1	63%	0.626	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	1	174.5	68	-11.1	0	0	0	113.6	Q844 T848	Q844-N846 VanDerWaalsContact CB-OD1 3.23Å; Q844-N846 WeakPolarHBondContact CB-OD1 3.07Å; Q844-N846 PolarHBondContact O-N 3.21Å; N846-T848 VanDerWaalsContact CG-OG1 3.3Å; N846-T848 PolarHBondContact ND2-OG1 3.24Å; N846-T848 PolarHBondContact OD1-N 3.2Å; N846-T848 PolarHBondContact OD1-OG1 2.91Å
847	G	80.7	Confident	90.3	Very high	51 Å²	51	62.2 Å²	62.2	53%	0.526	33%	0.331	S	S	.	.	S	Bend	trans	84	-4	-177.7	0	0	0	0	0	115.8	Q844 P845	Q844-G847 PolarHBondContact O-N 3.42Å; P845-G847 VanDerWaalsContact C-N 3.29Å
848	T	87.1	Confident	90.6	Very high	67 Å²	67	59.6 Å²	59.6	41%	0.411	31%	0.313	S	S	.	.			trans	-82.1	150.6	175.1	62	0	0	0	0	111.3	Q844 N846	Q844-T848 VanDerWaalsContact CB-O 3.32Å; Q844-T848 WeakPolarHBondContact CB-O 3.05Å; Q844-T848 WeakPolarHBondContact CG-O 3.47Å; Q844-T848 PolarHBondContact N-O 2.83Å; N846-T848 VanDerWaalsContact CG-OG1 3.3Å; N846-T848 PolarHBondContact ND2-OG1 3.24Å; N846-T848 PolarHBondContact OD1-N 3.2Å; N846-T848 PolarHBondContact OD1-OG1 2.91Å
849	V	90.4	Very high	90.7	Very high	12 Å²	12	58.1 Å²	58.1	7%	0.073	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-85.3	131.7	171.4	178.5	0	0	0	0	110.4	F549 D639 P669 A839	F549-V849 HydrophobicContact CD1-CG2 3.74Å; F549-V849 HydrophobicContact CE1-CG2 3.65Å; D639-V849 HydrophobicContact CB-CB 4.3Å; D639-V849 HydrophobicContact CB-CG2 3.89Å; P669-V849 HydrophobicContact CG-CG1 4.28Å; A839-V849 HydrophobicContact CB-CG1 4.32Å; A839-V849 HydrophobicContact CB-CG2 4.06Å
850	Y	93.4	Very high	90.8	Very high	84 Å²	84	58.1 Å²	58.1	33%	0.329	31%	0.306	S	S	.	.			trans	-138.5	124.1	168.4	177.9	-84.1	0	0	0	110.2	C667 G842 D852	C667-Y850 HydrophobicContact CB-CD2 3.52Å; C667-Y850 HydrophobicContact CB-CE2 3.4Å; C667-Y850 HydrophobicContact CB-CG 4.27Å; C667-Y850 CarbonylContact O-C 3.45Å; C667-Y850 WeakPolarHBondContact O-CA 3.25Å; C667-Y850 VanDerWaalsContact SG-CE2 3.58Å; G842-Y850 VanDerWaalsContact CA-O 3.28Å; G842-Y850 WeakPolarHBondContact CA-O 3.09Å; G842-Y850 PolarHBondContact O-N 3.04Å; G842-Y850 VanDerWaalsContact O-O 3.1Å; Y850-D852 HydrophobicContact CE1-CB 4.3Å; Y850-D852 WeakPolarHBondContact CE1-OD2 3.37Å; Y850-D852 PolarHBondContact OH-OD2 3.4Å
851	T	91.9	Very high	90.8	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.043	28%	0.282	C	S	.	.			trans	-149.8	124.4	172.4	-177.9	0	0	0	0	110.5	C667 P669	C667-T851 CarbonylContact C-O 3.51Å; C667-T851 WeakPolarHBondContact CA-O 3.42Å; C667-T851 WeakPolarHBondContact CB-O 3.41Å; C667-T851 PolarHBondContact O-N 2.82Å; P669-T851 HydrophobicContact CG-CG2 3.97Å
852	D	89.8	Confident	90.6	Very high	94 Å²	94	48.5 Å²	48.5	50%	0.503	27%	0.267	S	S	.	.			trans	-102.1	-14.2	177.8	44.4	19.9	0	0	0	112.9	R660 Y850	R660-D852 PolarHBondContact NH1-O 2.96Å; R660-D852 VanDerWaalsContact NH1-O 3.12Å; Y850-D852 HydrophobicContact CE1-CB 4.3Å; Y850-D852 WeakPolarHBondContact CE1-OD2 3.37Å; Y850-D852 PolarHBondContact OH-OD2 3.4Å
853	K	91.5	Very high	90.2	Very high	106 Å²	106	51.6 Å²	51.6	46%	0.461	28%	0.278	S	S	.	.			trans	-53.5	142.1	179.2	-56.3	178.5	-174.7	171.6	0	112.7	R660 D855 S856	R660-K853 PolarHBondContact NH1-O 3.33Å; K853-D855 VanDerWaalsContact C-N 3.28Å; K853-D855 WeakPolarHBondContact CB-OD1 3.41Å; K853-D855 WeakPolarHBondContact CD-OD1 3.26Å; K853-D855 PolarHBondContact O-N 2.89Å; K853-S856 PolarHBondContact O-N 3.02Å; K853-S856 PolarHBondContact O-OG 2.66Å
854	E	90.9	Very high	89.4	Confident	126 Å²	126	55.1 Å²	55.1	59%	0.589	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-62	-34	177.8	-60.2	-175.6	168.7	0	0	112.8	S856 A857 P871	E854-S856 PolarHBondContact O-N 3.33Å; E854-S856 VanDerWaalsContact O-N 3.08Å; E854-A857 PolarHBondContact O-N 3.31Å; E854-P871 HydrophobicContact CB-CB 4.22Å
855	D	92.7	Very high	88.7	Confident	64 Å²	64	56.2 Å²	56.2	34%	0.342	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-70	-1.6	178.8	79.9	-28.7	0	0	0	114.6	K838 K853 V858	K838-D855 WeakPolarHBondContact CE-OD2 3.49Å; K838-D855 IonicContact NZ-OD1 2.66Å; K838-D855 IonicContact NZ-OD2 3.81Å; K838-D855 PolarHBondContact NZ-OD2 3.25Å; K853-D855 VanDerWaalsContact C-N 3.28Å; K853-D855 WeakPolarHBondContact CB-OD1 3.41Å; K853-D855 WeakPolarHBondContact CD-OD1 3.26Å; K853-D855 PolarHBondContact O-N 2.89Å; D855-V858 WeakPolarHBondContact O-CG1 3.23Å
856	S	94.1	Very high	88.5	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.014	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-95.8	-13.2	170.7	70.1	0	0	0	0	113.7	R660 P669 M670 K853 E854	R660-S856 PolarHBondContact NH1-OG 2.91Å; R660-S856 VanDerWaalsContact NH1-OG 3.1Å; R660-S856 PolarHBondContact NH2-OG 2.9Å; P669-S856 CarbonylContact C-O 3.53Å; P669-S856 WeakPolarHBondContact CA-O 3.38Å; M670-S856 PolarHBondContact N-O 2.88Å; K853-S856 PolarHBondContact O-N 3.02Å; K853-S856 PolarHBondContact O-OG 2.66Å; E854-S856 PolarHBondContact O-N 3.33Å; E854-S856 VanDerWaalsContact O-N 3.08Å
857	A	96.4	Very high	88.6	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	91	176.1	0	0	0	0	0	109.7	T657 M670 E854 P871 V872	T657-A857 HydrophobicContact CG2-CB 3.88Å; T657-A857 WeakPolarHBondContact OG1-CB 3.35Å; M670-A857 HydrophobicContact CE-CB 4.02Å; M670-A857 WeakPolarHBondContact O-CA 3.38Å; E854-A857 PolarHBondContact O-N 3.31Å; A857-P871 WeakPolarHBondContact O-CA 3.25Å; A857-V872 HydrophobicContact CB-CG2 4.19Å; A857-V872 PolarHBondContact O-N 3.28Å
858	V	97	Very high	89	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.024	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.4	-165.1	-62.7	0	0	0	0	112.7	M670 V671 A672 T834 D855 C869 T870	M670-V858 PolarHBondContact O-N 2.95Å; V671-V858 CarbonylContact C-O 3.57Å; V671-V858 WeakPolarHBondContact CA-O 3.42Å; V671-V858 HydrophobicContact CG2-CG2 3.81Å; A672-V858 PolarHBondContact N-O 2.9Å; T834-V858 HydrophobicContact CG2-CG2 4.13Å; D855-V858 WeakPolarHBondContact O-CG1 3.23Å; V858-C869 HydrophobicContact CB-CB 3.92Å; V858-C869 HydrophobicContact CG1-CB 4.18Å; V858-C869 HydrophobicContact CG2-CB 3.81Å; V858-T870 CarbonylContact C-O 3.59Å; V858-T870 VanDerWaalsContact CA-O 3.29Å; V858-T870 WeakPolarHBondContact CA-O 3.28Å
859	L	96.6	Very high	89.3	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.4	164.5	-177.9	143.8	0	0	0	109	F650 A672 P674 V681 P682 G861 T870 V872 L875	F650-L859 HydrophobicContact CB-CD1 4.14Å; F650-L859 HydrophobicContact CD2-CD1 3.76Å; F650-L859 HydrophobicContact CG-CD1 4.22Å; A672-L859 CarbonylContact O-C 3.48Å; A672-L859 WeakPolarHBondContact O-CA 3.18Å; P674-L859 HydrophobicContact CG-CD1 4.01Å; P674-L859 HydrophobicContact CG-CD2 3.76Å; P674-L859 HydrophobicContact CG-CG 3.9Å; V681-L859 HydrophobicContact CG1-CD1 3.67Å; P682-L859 WeakPolarHBondContact O-CD1 2.94Å; P682-L859 WeakPolarHBondContact O-CD2 3.14Å; L859-G861 PolarHBondContact O-N 2.96Å; L859-T870 PolarHBondContact N-O 3.12Å; L859-T870 PolarHBondContact O-N 3.01Å; L859-V872 HydrophobicContact CB-CG1 4.24Å; L859-L875 HydrophobicContact CB-CD1 3.61Å; L859-L875 HydrophobicContact CD1-CD1 3.99Å; L859-L875 HydrophobicContact CD2-CD1 3.96Å; L859-L875 HydrophobicContact CG-CD1 4.07Å
860	L	95.1	Very high	89.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	97.9	177.4	177	53.4	0	0	0	109.8	V671 A672 P674 M827 H830 A831 T867	V671-L860 HydrophobicContact CG1-CB 3.99Å; A672-L860 PolarHBondContact O-N 3.42Å; P674-L860 WeakPolarHBondContact CD-O 3.24Å; M827-L860 HydrophobicContact CB-CD2 4.12Å; M827-L860 WeakPolarHBondContact O-CD2 3.33Å; H830-L860 HydrophobicContact CB-CD2 4.22Å; A831-L860 HydrophobicContact CB-CD2 4.14Å; L860-T867 HydrophobicContact CD1-CG2 3.59Å; L860-T867 HydrophobicContact CG-CG2 4.37Å
861	G	91.4	Very high	89.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	172.7	-176.1	0	0	0	0	0	113.3	L859 T867 Q868	L859-G861 PolarHBondContact O-N 2.96Å; G861-T867 CarbonylContact O-C 3.41Å; G861-T867 VanDerWaalsContact O-CA 3.31Å; G861-T867 WeakPolarHBondContact O-CA 3.43Å; G861-T867 WeakPolarHBondContact O-CG2 3.42Å; G861-Q868 PolarHBondContact N-O 2.91Å; G861-Q868 PolarHBondContact O-N 3.39Å
862	M	85.7	Confident	89.8	Confident	25 Å²	25	49.9 Å²	49.9	12%	0.123	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	113.5	166.1	-71.4	177.9	65.8	0	0	109.2	T684 S685 L823 M827 R866 T867	T684-M862 CarbonylContact C-O 3.59Å; T684-M862 WeakPolarHBondContact CA-O 3.32Å; T684-M862 PolarHBondContact OG1-N 3.28Å; S685-M862 PolarHBondContact N-O 2.96Å; S685-M862 PolarHBondContact OG-O 2.78Å; L823-M862 HydrophobicContact CD1-SD 3.86Å; M827-M862 HydrophobicContact CE-CG 3.65Å; M827-M862 HydrophobicContact CE-SD 4.06Å; M862-R866 WeakPolarHBondContact CA-O 3.37Å; M862-T867 HydrophobicContact CG-CG2 4.36Å
863	R	82.3	Confident	90	Very high	68 Å²	68	47 Å²	47	26%	0.257	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127.8	167.9	-65.4	-178.8	96.7	171.9	1.5	108.2	G683 R865 R866 Q868 E874	G683-R863 WeakPolarHBondContact O-CG 3.23Å; R863-R865 PolarHBondContact O-N 3.49Å; R863-R866 PolarHBondContact N-O 3.33Å; R863-R866 PolarHBondContact O-N 2.93Å; R863-R866 VanDerWaalsContact O-O 3.08Å; R863-Q868 HydrophobicContact CB-CG 4.28Å; R863-Q868 VanDerWaalsContact CD-NE2 3.3Å; R863-Q868 HydrophobicContact CG-CG 4.24Å; R863-E874 IonicContact CZ-OE1 3.16Å; R863-E874 IonicContact NH1-OE1 2.67Å; R863-E874 PolarHBondContact NH1-OE1 2.73Å; R863-E874 IonicContact NH2-OE1 3.17Å
864	D	73	Confident	90.1	Very high	115 Å²	115	45.9 Å²	45.9	62%	0.615	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	-96.6	-177.1	-51.1	-48	0	0	0	113.8	N484	N484-D864 PolarHBondContact N-O 2.7Å
865	R	74.8	Confident	90.2	Very high	99 Å²	99	39.9 Å²	39.9	37%	0.374	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	2	-172	-59.1	173.1	-173.4	-153.7	11.4	113.3	D482 R863	D482-R865 WeakPolarHBondContact OD1-CD 3.05Å; D482-R865 WeakPolarHBondContact OD1-CG 3.38Å; D482-R865 VanDerWaalsContact OD2-CD 3.31Å; D482-R865 WeakPolarHBondContact OD2-CD 3.49Å; D482-R865 IonicContact OD2-CZ 2.68Å; D482-R865 IonicContact OD2-NE 3.24Å; D482-R865 IonicContact OD2-NH1 3.21Å; D482-R865 PolarHBondContact OD2-NH1 3.31Å; R863-R865 PolarHBondContact O-N 3.49Å
866	R	80.9	Confident	90.2	Very high	170 Å²	170	40.9 Å²	40.9	64%	0.642	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-140.2	141.9	-169.2	-61	-174.2	-174.9	-176.9	3.9	112.5	M862 R863	M862-R866 WeakPolarHBondContact CA-O 3.37Å; R863-R866 PolarHBondContact N-O 3.33Å; R863-R866 PolarHBondContact O-N 2.93Å; R863-R866 VanDerWaalsContact O-O 3.08Å
867	T	84.4	Confident	90.1	Very high	31 Å²	31	46.7 Å²	46.7	19%	0.19	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	129.4	159.7	-29	0	0	0	0	108.2	R523 M827 L860 G861 M862	R523-T867 PolarHBondContact NH1-OG1 3.15Å; M827-T867 HydrophobicContact CE-CG2 4.1Å; M827-T867 HydrophobicContact CG-CG2 4.46Å; L860-T867 HydrophobicContact CD1-CG2 3.59Å; L860-T867 HydrophobicContact CG-CG2 4.37Å; G861-T867 CarbonylContact O-C 3.41Å; G861-T867 VanDerWaalsContact O-CA 3.31Å; G861-T867 WeakPolarHBondContact O-CA 3.43Å; G861-T867 WeakPolarHBondContact O-CG2 3.42Å; M862-T867 HydrophobicContact CG-CG2 4.36Å
868	Q	89.3	Confident	89.9	Confident	70 Å²	70	49.4 Å²	49.4	33%	0.327	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	147.2	177.2	63.3	171.6	66.4	0	0	112.2	G861 R863 T870	G861-Q868 PolarHBondContact N-O 2.91Å; G861-Q868 PolarHBondContact O-N 3.39Å; R863-Q868 HydrophobicContact CB-CG 4.28Å; R863-Q868 VanDerWaalsContact CD-NE2 3.3Å; R863-Q868 HydrophobicContact CG-CG 4.24Å; Q868-T870 PolarHBondContact NE2-OG1 3.42Å
869	C	93	Very high	89.7	Confident	42 Å²	42	49.2 Å²	49.2	28%	0.284	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	114.7	165.2	-67.6	0	0	0	0	108.3	V858	V858-C869 HydrophobicContact CB-CB 3.92Å; V858-C869 HydrophobicContact CG1-CB 4.18Å; V858-C869 HydrophobicContact CG2-CB 3.81Å
870	T	95	Very high	89.5	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.8	178.6	-45.9	0	0	0	0	108.9	V858 L859 Q868 V872 E874 L875	V858-T870 CarbonylContact C-O 3.59Å; V858-T870 VanDerWaalsContact CA-O 3.29Å; V858-T870 WeakPolarHBondContact CA-O 3.28Å; L859-T870 PolarHBondContact N-O 3.12Å; L859-T870 PolarHBondContact O-N 3.01Å; Q868-T870 PolarHBondContact NE2-OG1 3.42Å; T870-V872 PolarHBondContact O-N 3.49Å; T870-E874 HydrophobicContact CG2-CB 4.41Å; T870-E874 VanDerWaalsContact CG2-OE2 3.29Å; T870-E874 WeakPolarHBondContact CG2-OE2 3.15Å; T870-L875 HydrophobicContact CG2-CD1 4.37Å; T870-L875 HydrophobicContact CG2-CD2 3.85Å; T870-L875 HydrophobicContact CG2-CG 3.95Å
871	P	96.2	Very high	89.4	Confident	28 Å²	28	54.6 Å²	54.6	18%	0.182	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	134.6	176.7	-26.3	35.6	0	0	0	111.9	E854 A857 A873 E874 L875	E854-P871 HydrophobicContact CB-CB 4.22Å; A857-P871 WeakPolarHBondContact O-CA 3.25Å; P871-A873 PolarHBondContact O-N 3.32Å; P871-E874 PolarHBondContact O-N 3.39Å; P871-E874 VanDerWaalsContact O-N 3.15Å; P871-L875 PolarHBondContact O-N 3.19Å
872	V	95.6	Very high	89.5	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-65	-24.1	-178.4	-63	0	0	0	0	112.7	F650 C653 L654 T657 A857 L859 T870 L875 K876	F650-V872 HydrophobicContact CD2-CB 4.42Å; F650-V872 HydrophobicContact CD2-CG1 4.25Å; F650-V872 HydrophobicContact CE2-CB 4.04Å; F650-V872 HydrophobicContact CE2-CG1 4.32Å; C653-V872 HydrophobicContact CB-CG1 4.16Å; L654-V872 HydrophobicContact CB-CG2 4.38Å; L654-V872 HydrophobicContact CD1-CG2 4.23Å; T657-V872 HydrophobicContact CG2-CG2 4.35Å; A857-V872 HydrophobicContact CB-CG2 4.19Å; A857-V872 PolarHBondContact O-N 3.28Å; L859-V872 HydrophobicContact CB-CG1 4.24Å; T870-V872 PolarHBondContact O-N 3.49Å; V872-L875 PolarHBondContact O-N 2.99Å; V872-K876 PolarHBondContact O-N 3.21Å
873	A	94	Very high	89.8	Confident	32 Å²	32	60.5 Å²	60.5	26%	0.264	30%	0.299	S	S	.	.	H	α-helix	trans	-63.5	-45.2	172.5	0	0	0	0	0	112.5	P871 L875 K876	P871-A873 PolarHBondContact O-N 3.32Å; A873-L875 PolarHBondContact O-N 3.05Å; A873-K876 WeakPolarHBondContact O-CB 3.49Å; A873-K876 PolarHBondContact O-N 2.89Å; A873-K876 VanDerWaalsContact O-N 3.14Å
874	E	93.9	Very high	90.4	Very high	84 Å²	84	61.5 Å²	61.5	39%	0.393	30%	0.303	S	S	.	.	H	α-helix	trans	-61.3	-33.6	176.5	-169.4	-149.6	118.6	0	0	112	R863 T870 P871 K876 Q878	R863-E874 IonicContact CZ-OE1 3.16Å; R863-E874 IonicContact NH1-OE1 2.67Å; R863-E874 PolarHBondContact NH1-OE1 2.73Å; R863-E874 IonicContact NH2-OE1 3.17Å; T870-E874 HydrophobicContact CG2-CB 4.41Å; T870-E874 VanDerWaalsContact CG2-OE2 3.29Å; T870-E874 WeakPolarHBondContact CG2-OE2 3.15Å; P871-E874 PolarHBondContact O-N 3.39Å; P871-E874 VanDerWaalsContact O-N 3.15Å; E874-K876 VanDerWaalsContact C-N 3.31Å; E874-Q878 PolarHBondContact O-NE2 3.01Å; E874-Q878 PolarHBondContact OE1-NE2 3.44Å; E874-Q878 VanDerWaalsContact OE1-NE2 3.12Å
875	L	93.3	Very high	91.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-78.9	-13	-179.4	-63.5	-179.9	0	0	0	113.5	F650 P682 L859 T870 P871 V872 A873 Q878 A879	F650-L875 HydrophobicContact CE2-CB 3.71Å; F650-L875 HydrophobicContact CE2-CD1 4.26Å; F650-L875 HydrophobicContact CZ-CB 3.91Å; P682-L875 HydrophobicContact CB-CB 4.38Å; P682-L875 HydrophobicContact CG-CB 4.38Å; L859-L875 HydrophobicContact CB-CD1 3.61Å; L859-L875 HydrophobicContact CD1-CD1 3.99Å; L859-L875 HydrophobicContact CD2-CD1 3.96Å; L859-L875 HydrophobicContact CG-CD1 4.07Å; T870-L875 HydrophobicContact CG2-CD1 4.37Å; T870-L875 HydrophobicContact CG2-CD2 3.85Å; T870-L875 HydrophobicContact CG2-CG 3.95Å; P871-L875 PolarHBondContact O-N 3.19Å; V872-L875 PolarHBondContact O-N 2.99Å; A873-L875 PolarHBondContact O-N 3.05Å; L875-Q878 PolarHBondContact O-N 2.83Å; L875-A879 PolarHBondContact O-N 3.29Å
876	K	93.2	Very high	92.2	Very high	85 Å²	85	52.5 Å²	52.5	37%	0.37	26%	0.263	S	S	.	.	H	α-helix	trans	-60.1	-47.2	178.1	-177.6	179.1	177.6	174.2	0	111.5	L654 E658 V872 A873 E874 Q878 A879 F881	L654-K876 HydrophobicContact CD1-CB 4.41Å; L654-K876 HydrophobicContact CD1-CD 4.4Å; L654-K876 HydrophobicContact CD2-CB 4.11Å; L654-K876 HydrophobicContact CD2-CD 4.16Å; L654-K876 HydrophobicContact CD2-CG 3.95Å; E658-K876 WeakPolarHBondContact OE1-CE 3.35Å; E658-K876 IonicContact OE1-NZ 3.38Å; E658-K876 PolarHBondContact OE1-NZ 2.74Å; V872-K876 PolarHBondContact O-N 3.21Å; A873-K876 WeakPolarHBondContact O-CB 3.49Å; A873-K876 PolarHBondContact O-N 2.89Å; A873-K876 VanDerWaalsContact O-N 3.14Å; E874-K876 VanDerWaalsContact C-N 3.31Å; K876-Q878 PolarHBondContact O-N 3.17Å; K876-A879 PolarHBondContact O-N 3.15Å; K876-F881 HydrophobicContact CG-CE2 3.97Å; K876-F881 HydrophobicContact CG-CZ 4.08Å
877	D	91.4	Very high	92.6	Very high	123 Å²	123	53.2 Å²	53.2	66%	0.658	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-20.8	-178.7	-62.6	-28.1	0	0	0	112.7	R887	D877-R887 WeakPolarHBondContact O-CD 3.34Å; D877-R887 PolarHBondContact O-NE 3.39Å
878	Q	91.2	Very high	92.7	Very high	58 Å²	58	57.9 Å²	57.9	27%	0.271	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.3	177.2	-63.5	169.1	59.1	0	0	112.7	E874 L875 K876 R887	E874-Q878 PolarHBondContact O-NE2 3.01Å; E874-Q878 PolarHBondContact OE1-NE2 3.44Å; E874-Q878 VanDerWaalsContact OE1-NE2 3.12Å; L875-Q878 PolarHBondContact O-N 2.83Å; K876-Q878 PolarHBondContact O-N 3.17Å; Q878-R887 PolarHBondContact O-N 3.36Å
879	A	93	Very high	92.6	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.008	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	147.3	180	0	0	0	0	0	112.3	F647 F650 P682 L875 K876 F881 R887	F647-A879 HydrophobicContact CE2-CB 4.38Å; F647-A879 HydrophobicContact CZ-CB 4.32Å; F650-A879 HydrophobicContact CE1-CB 4.19Å; P682-A879 HydrophobicContact CG-CB 4.22Å; L875-A879 PolarHBondContact O-N 3.29Å; K876-A879 PolarHBondContact O-N 3.15Å; A879-F881 HydrophobicContact CB-CD2 4.14Å; A879-F881 HydrophobicContact CB-CE2 3.69Å; A879-F881 HydrophobicContact CB-CZ 3.94Å; A879-R887 PolarHBondContact O-NE 3.23Å
880	D	93.9	Very high	92.4	Very high	43 Å²	43	55.1 Å²	55.1	23%	0.23	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	109.2	155.4	179.8	-8.6	0	0	0	107.9	S882 H883 R884 V885	D880-S882 VanDerWaalsContact C-N 3.33Å; D880-S882 WeakPolarHBondContact OD1-CA 3.42Å; D880-S882 WeakPolarHBondContact OD1-CB 3.29Å; D880-S882 PolarHBondContact OD1-N 2.94Å; D880-S882 PolarHBondContact OD1-OG 3.45Å; D880-H883 PolarHBondContact OD1-N 3.38Å; D880-H883 IonicContact OD1-ND1 2.78Å; D880-H883 IonicContact OD2-CE1 3.23Å; D880-H883 IonicContact OD2-CG 2.85Å; D880-H883 IonicContact OD2-ND1 3.74Å; D880-H883 PolarHBondContact OD2-ND1 3.38Å; D880-R884 CarbonylContact O-C 3.53Å; D880-R884 WeakPolarHBondContact O-CA 3.49Å; D880-R884 PolarHBondContact O-N 3.36Å; D880-V885 HydrophobicContact CB-CG2 4.1Å; D880-V885 PolarHBondContact N-O 2.85Å; D880-V885 PolarHBondContact O-N 3.04Å; D880-V885 VanDerWaalsContact O-N 3.15Å
881	F	93	Very high	92.1	Very high	71 Å²	71	55.2 Å²	55.2	31%	0.311	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-19.6	179.5	-68.5	-90.8	0	0	0	113.5	F647 F650 H651 L654 K876 A879 R884	F647-F881 AromaticContact CE1-CD1 3.76Å; F647-F881 HydrophobicContact CE1-CD1 3.76Å; F647-F881 HydrophobicContact CE1-CE1 4.2Å; F647-F881 AromaticContact CZ-CD1 3.79Å; F647-F881 HydrophobicContact CZ-CD1 3.79Å; F647-F881 HydrophobicContact CZ-CE1 4.11Å; F647-F881 HydrophobicContact CZ-CG 4.26Å; F650-F881 HydrophobicContact CE1-CE1 4.15Å; F650-F881 HydrophobicContact CE1-CZ 4.13Å; H651-F881 AromaticContact CD2-CE1 3.82Å; L654-F881 HydrophobicContact CD2-CE1 3.92Å; L654-F881 HydrophobicContact CD2-CZ 3.55Å; K876-F881 HydrophobicContact CG-CE2 3.97Å; K876-F881 HydrophobicContact CG-CZ 4.08Å; A879-F881 HydrophobicContact CB-CD2 4.14Å; A879-F881 HydrophobicContact CB-CE2 3.69Å; A879-F881 HydrophobicContact CB-CZ 3.94Å; F881-R884 WeakPolarHBondContact O-CG 3.42Å
882	S	92.4	Very high	91.8	Very high	87 Å²	87	56.5 Å²	56.5	61%	0.608	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-49.1	-178.7	68.9	0	0	0	0	111.3	D880	D880-S882 VanDerWaalsContact C-N 3.33Å; D880-S882 WeakPolarHBondContact OD1-CA 3.42Å; D880-S882 WeakPolarHBondContact OD1-CB 3.29Å; D880-S882 PolarHBondContact OD1-N 2.94Å; D880-S882 PolarHBondContact OD1-OG 3.45Å
883	H	92.8	Very high	91.4	Very high	61 Å²	61	62 Å²	62	28%	0.282	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-11.5	174.7	-56.2	104.2	0	0	0	113	Y724 F744 D880 V885	Y724-H883 AromaticContact CD1-CD2 3.85Å; Y724-H883 HydrophobicContact CD2-CB 4.01Å; Y724-H883 VanDerWaalsContact CD2-O 3.29Å; Y724-H883 WeakPolarHBondContact CD2-O 3.48Å; Y724-H883 AromaticContact CE1-CD2 3.89Å; Y724-H883 HydrophobicContact CG-CB 3.88Å; F744-H883 HydrophobicContact CE1-CB 4.07Å; F744-H883 AromaticContact CE1-CD2 3.96Å; F744-H883 AromaticContact CE1-CG 3.75Å; F744-H883 HydrophobicContact CZ-CB 4.4Å; F744-H883 AromaticContact CZ-CD2 3.4Å; F744-H883 WeakPolarHBondContact CZ-CD2 3.37Å; F744-H883 AromaticContact CZ-CE1 3.85Å; F744-H883 AromaticContact CZ-CG 3.62Å; F744-H883 AromaticContact CZ-ND1 3.88Å; F744-H883 AromaticContact CZ-NE2 3.57Å; D880-H883 PolarHBondContact OD1-N 3.38Å; D880-H883 IonicContact OD1-ND1 2.78Å; D880-H883 IonicContact OD2-CE1 3.23Å; D880-H883 IonicContact OD2-CG 2.85Å; D880-H883 IonicContact OD2-ND1 3.74Å; D880-H883 PolarHBondContact OD2-ND1 3.38Å; H883-V885 HydrophobicContact CB-CG2 4.13Å
884	R	94.5	Very high	91	Very high	89 Å²	89	60.5 Å²	60.5	34%	0.336	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	52.8	180	-58.4	170.9	38.5	165	-3.5	112.9	F647 E648 N680 D880 F881	F647-R884 HydrophobicContact CB-CB 4.43Å; F647-R884 HydrophobicContact CD1-CB 3.88Å; F647-R884 HydrophobicContact CD1-CG 3.88Å; F647-R884 HydrophobicContact CD2-CB 4.05Å; F647-R884 HydrophobicContact CE1-CB 4.09Å; F647-R884 HydrophobicContact CE1-CG 3.95Å; F647-R884 HydrophobicContact CE2-CB 4.25Å; F647-R884 HydrophobicContact CG-CB 3.87Å; F647-R884 HydrophobicContact CG-CG 4.37Å; F647-R884 HydrophobicContact CZ-CB 4.28Å; F647-R884 HydrophobicContact CZ-CG 4.49Å; E648-R884 IonicContact OE1-CZ 3.41Å; E648-R884 IonicContact OE1-NH1 2.7Å; E648-R884 PolarHBondContact OE1-NH1 2.61Å; E648-R884 IonicContact OE1-NH2 3.14Å; E648-R884 PolarHBondContact OE1-NH2 3.3Å; E648-R884 IonicContact OE2-CZ 3.55Å; E648-R884 IonicContact OE2-NH1 2.68Å; E648-R884 IonicContact OE2-NH2 3.86Å; E648-R884 PolarHBondContact OE2-NH2 3.22Å; N680-R884 PolarHBondContact ND2-O 3.11Å; D880-R884 CarbonylContact O-C 3.53Å; D880-R884 WeakPolarHBondContact O-CA 3.49Å; D880-R884 PolarHBondContact O-N 3.36Å; F881-R884 WeakPolarHBondContact O-CG 3.42Å
885	V	93.2	Very high	90.7	Very high	10 Å²	10	57 Å²	57	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	161.3	-179.8	-63.4	0	0	0	0	111.3	C725 D880 H883	C725-V885 HydrophobicContact CB-CG1 4.01Å; D880-V885 HydrophobicContact CB-CG2 4.1Å; D880-V885 PolarHBondContact N-O 2.85Å; D880-V885 PolarHBondContact O-N 3.04Å; D880-V885 VanDerWaalsContact O-N 3.15Å; H883-V885 HydrophobicContact CB-CG2 4.13Å
886	P	92.7	Very high	90.3	Very high	16 Å²	16	59.1 Å²	59.1	10%	0.104	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	146.2	166.1	-8.1	25.9	0	0	0	110.4	D888 Q889	P886-D888 WeakPolarHBondContact CB-O 3.45Å; P886-Q889 HydrophobicContact CB-CG 4.06Å; P886-Q889 HydrophobicContact CG-CG 4.16Å; P886-Q889 WeakPolarHBondContact O-CG 3.27Å
887	R	89.6	Confident	89.9	Confident	185 Å²	185	55.9 Å²	55.9	70%	0.698	27%	0.271	S	S	*	.	S	Bend	trans	-73.1	-35.8	175.8	-65.9	-178	-175.6	-148.8	2.8	113.3	D877 Q878 A879	D877-R887 WeakPolarHBondContact O-CD 3.34Å; D877-R887 PolarHBondContact O-NE 3.39Å; Q878-R887 PolarHBondContact O-N 3.36Å; A879-R887 PolarHBondContact O-NE 3.23Å
888	D	85.9	Confident	89.5	Confident	129 Å²	129	50.3 Å²	50.3	69%	0.69	24%	0.242	S	C	*	.	S	Bend	trans	-109	130.2	170.3	-179.6	26.8	0	0	0	109.4	P886	P886-D888 WeakPolarHBondContact CB-O 3.45Å
889	Q	86.9	Confident	89.1	Confident	11 Å²	11	53.1 Å²	53.1	5%	0.051	25%	0.25	C	C	.	.			trans	-133.4	104.9	-172.3	-67.7	-161.4	84.5	0	0	109.8	C725 E745 P886 W891 L892	C725-Q889 PolarHBondContact SG-OE1 2.85Å; E745-Q889 PolarHBondContact OE1-NE2 2.98Å; P886-Q889 HydrophobicContact CB-CG 4.06Å; P886-Q889 HydrophobicContact CG-CG 4.16Å; P886-Q889 WeakPolarHBondContact O-CG 3.27Å; Q889-W891 HydrophobicContact CB-CZ2 4.34Å; Q889-W891 PolarHBondContact O-N 2.9Å; Q889-W891 VanDerWaalsContact OE1-CZ2 3.27Å; Q889-L892 HydrophobicContact CB-CD1 3.92Å; Q889-L892 HydrophobicContact CB-CG 4.09Å; Q889-L892 WeakPolarHBondContact O-CB 3.44Å; Q889-L892 PolarHBondContact O-N 3.28Å
890	W	88	Confident	88.4	Confident	43 Å²	43	53.5 Å²	53.5	16%	0.163	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-51.8	-34.4	-173.4	72.3	-90.3	0	0	0	114.1	N484 S685 F686 Y727 L892 K893 L894	N484-W890 VanDerWaalsContact ND2-CD2 3.28Å; N484-W890 VanDerWaalsContact ND2-CE3 3.33Å; N484-W890 VanDerWaalsContact ND2-CH2 3.29Å; N484-W890 WeakPolarHBondContact ND2-CH2 3.02Å; N484-W890 WeakPolarHBondContact ND2-CZ2 3.26Å; N484-W890 VanDerWaalsContact ND2-CZ3 3.34Å; N484-W890 WeakPolarHBondContact ND2-CZ3 3.35Å; S685-W890 PolarHBondContact O-NE1 2.97Å; F686-W890 HydrophobicContact CE1-CH2 4.34Å; F686-W890 AromaticContact CE1-CZ2 3.88Å; F686-W890 HydrophobicContact CE1-CZ2 3.88Å; F686-W890 HydrophobicContact CZ-CH2 4.28Å; F686-W890 HydrophobicContact CZ-CZ2 4.05Å; Y727-W890 AromaticContact CE2-CZ2 3.92Å; Y727-W890 HydrophobicContact CE2-CZ2 3.92Å; W890-L892 VanDerWaalsContact C-N 3.27Å; W890-L892 PolarHBondContact O-N 3.49Å; W890-K893 VanDerWaalsContact O-CB 3.29Å; W890-K893 WeakPolarHBondContact O-CB 3.35Å; W890-K893 WeakPolarHBondContact O-CG 3.44Å; W890-K893 PolarHBondContact O-N 2.9Å; W890-L894 HydrophobicContact CH2-CD1 4.4Å; W890-L894 HydrophobicContact CZ3-CD1 3.96Å
891	W	89.9	Confident	87.5	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.008	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-74.1	-15.1	-175.3	60	-97.8	0	0	0	113.1	G726 Y727 T730 V731 I743 E745 Q889 K893 L894	G726-W891 VanDerWaalsContact CA-CH2 3.42Å; Y727-W891 HydrophobicContact CD2-CB 4.03Å; Y727-W891 AromaticContact CD2-CD1 3.5Å; Y727-W891 VanDerWaalsContact CD2-CD1 3.5Å; Y727-W891 HydrophobicContact CD2-CD2 4.24Å; Y727-W891 AromaticContact CD2-CG 3.65Å; Y727-W891 HydrophobicContact CD2-CG 3.65Å; Y727-W891 AromaticContact CD2-NE1 3.95Å; Y727-W891 HydrophobicContact CE2-CB 4.42Å; Y727-W891 HydrophobicContact CE2-CG 4.46Å; Y727-W891 VanDerWaalsContact N-CZ2 3.29Å; T730-W891 HydrophobicContact CG2-CE3 3.98Å; T730-W891 HydrophobicContact CG2-CZ3 4.21Å; T730-W891 WeakPolarHBondContact OG1-CZ3 3.14Å; V731-W891 HydrophobicContact CG2-CB 4.23Å; I743-W891 HydrophobicContact CD1-CH2 4.08Å; I743-W891 HydrophobicContact CD1-CZ3 3.94Å; E745-W891 HydrophobicContact CG-CH2 4.34Å; E745-W891 WeakPolarHBondContact OE1-CH2 3.41Å; E745-W891 WeakPolarHBondContact OE1-CZ2 3.07Å; Q889-W891 HydrophobicContact CB-CZ2 4.34Å; Q889-W891 PolarHBondContact O-N 2.9Å; Q889-W891 VanDerWaalsContact OE1-CZ2 3.27Å; W891-K893 PolarHBondContact O-N 3.2Å; W891-L894 VanDerWaalsContact O-CB 3.3Å; W891-L894 WeakPolarHBondContact O-CB 3.47Å; W891-L894 PolarHBondContact O-N 3.26Å
892	L	89.6	Confident	86.4	Confident	55 Å²	55	49.7 Å²	49.7	29%	0.288	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-61.2	-26.6	170.5	-69.9	171.4	0	0	0	111.5	I743 E745 Q889 W890 L894 R895	I743-L892 HydrophobicContact CD1-CD2 4.1Å; E745-L892 HydrophobicContact CB-CD1 4.47Å; E745-L892 HydrophobicContact CB-CD2 3.91Å; E745-L892 HydrophobicContact CG-CD2 4.44Å; Q889-L892 HydrophobicContact CB-CD1 3.92Å; Q889-L892 HydrophobicContact CB-CG 4.09Å; Q889-L892 WeakPolarHBondContact O-CB 3.44Å; Q889-L892 PolarHBondContact O-N 3.28Å; W890-L892 VanDerWaalsContact C-N 3.27Å; W890-L892 PolarHBondContact O-N 3.49Å; L892-L894 PolarHBondContact O-N 2.89Å; L892-L894 VanDerWaalsContact O-N 3.14Å; L892-R895 HydrophobicContact CD2-CG 4.21Å; L892-R895 VanDerWaalsContact O-CB 3.25Å; L892-R895 WeakPolarHBondContact O-CB 3.49Å; L892-R895 VanDerWaalsContact O-CG 3.25Å; L892-R895 WeakPolarHBondContact O-CG 3.41Å; L892-R895 PolarHBondContact O-N 3.31Å
893	K	86.3	Confident	85.1	Confident	116 Å²	116	48.2 Å²	48.2	50%	0.504	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-62.9	-16.2	172.4	-59.9	177.3	-175.8	176.9	0	113.4	G114 W890 W891 P896	G114-K893 WeakPolarHBondContact CA-O 3.48Å; W890-K893 VanDerWaalsContact O-CB 3.29Å; W890-K893 WeakPolarHBondContact O-CB 3.35Å; W890-K893 WeakPolarHBondContact O-CG 3.44Å; W890-K893 PolarHBondContact O-N 2.9Å; W891-K893 PolarHBondContact O-N 3.2Å; K893-P896 WeakPolarHBondContact O-CD 3.48Å
894	L	86.9	Confident	83.1	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-86.5	-11.1	174.6	-53.9	179	0	0	0	113	E113 R458 L734 W890 W891 L892 L897 L898	E113-L894 HydrophobicContact CG-CD2 4.03Å; E113-L894 WeakPolarHBondContact OE2-CD2 3.37Å; R458-L894 HydrophobicContact CG-CD2 4.19Å; L734-L894 HydrophobicContact CD2-CB 4.49Å; L734-L894 HydrophobicContact CD2-CD1 4.2Å; W890-L894 HydrophobicContact CH2-CD1 4.4Å; W890-L894 HydrophobicContact CZ3-CD1 3.96Å; W891-L894 VanDerWaalsContact O-CB 3.3Å; W891-L894 WeakPolarHBondContact O-CB 3.47Å; W891-L894 PolarHBondContact O-N 3.26Å; L892-L894 PolarHBondContact O-N 2.89Å; L892-L894 VanDerWaalsContact O-N 3.14Å; L894-L897 WeakPolarHBondContact O-CB 3.07Å; L894-L897 PolarHBondContact O-N 3.49Å; L894-L898 PolarHBondContact O-N 2.92Å
895	R	87.4	Confident	80.8	Confident	10 Å²	10	48.6 Å²	48.6	4%	0.038	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-42.8	-180	-62.9	-71.8	-62.5	178.5	3.8	113.3	T730 A741 E746 L892 L897 L898 R899	T730-R895 VanDerWaalsContact CG2-CD 3.42Å; T730-R895 HydrophobicContact CG2-CG 4.26Å; T730-R895 WeakPolarHBondContact OG1-CD 3.4Å; T730-R895 PolarHBondContact OG1-NH1 3.2Å; A741-R895 PolarHBondContact O-NH1 3.02Å; A741-R895 PolarHBondContact O-NH2 2.91Å; E746-R895 WeakPolarHBondContact OE1-CB 3.31Å; E746-R895 VanDerWaalsContact OE1-CG 3.23Å; E746-R895 WeakPolarHBondContact OE1-CG 3.35Å; E746-R895 IonicContact OE1-CZ 3.81Å; E746-R895 IonicContact OE1-NE 3.9Å; E746-R895 PolarHBondContact OE1-NE 2.91Å; E746-R895 IonicContact OE1-NH2 3.55Å; E746-R895 IonicContact OE2-CZ 3.31Å; E746-R895 IonicContact OE2-NE 2.72Å; E746-R895 PolarHBondContact OE2-NE 3.49Å; E746-R895 IonicContact OE2-NH2 3.88Å; E746-R895 PolarHBondContact OE2-NH2 3.49Å; L892-R895 HydrophobicContact CD2-CG 4.21Å; L892-R895 VanDerWaalsContact O-CB 3.25Å; L892-R895 WeakPolarHBondContact O-CB 3.49Å; L892-R895 VanDerWaalsContact O-CG 3.25Å; L892-R895 WeakPolarHBondContact O-CG 3.41Å; L892-R895 PolarHBondContact O-N 3.31Å; R895-L897 VanDerWaalsContact C-N 3.3Å; R895-L897 PolarHBondContact O-N 3.19Å; R895-L898 PolarHBondContact O-N 3.22Å; R895-R899 WeakPolarHBondContact O-CG 3.33Å; R895-R899 PolarHBondContact O-N 3.49Å
896	P	84.3	Confident	77.9	Confident	45 Å²	45	48.8 Å²	48.8	29%	0.292	23%	0.23	S	C	.	.	H	α-helix	trans	-59.6	-40.3	173	-23.8	35.1	0	0	0	112.4	K893 R899 I900	K893-P896 WeakPolarHBondContact O-CD 3.48Å; P896-R899 PolarHBondContact O-N 3.32Å; P896-I900 VanDerWaalsContact O-CG1 3.3Å; P896-I900 WeakPolarHBondContact O-CG1 3.4Å; P896-I900 PolarHBondContact O-N 3.31Å
897	L	84.2	Confident	74.8	Confident	17 Å²	17	55.1 Å²	55.1	9%	0.089	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-48.8	176.3	-179.4	60.5	0	0	0	110.8	I162 M166 A461 L734 L894 R895 R899 I900 L901	I162-L897 HydrophobicContact CG2-CD1 4.12Å; M166-L897 HydrophobicContact CE-CD1 3.78Å; A461-L897 HydrophobicContact CB-CD1 3.75Å; A461-L897 HydrophobicContact CB-CD2 4.26Å; L734-L897 HydrophobicContact CD1-CD2 4.19Å; L734-L897 HydrophobicContact CD1-CG 4.29Å; L734-L897 HydrophobicContact CD2-CD2 4.4Å; L894-L897 WeakPolarHBondContact O-CB 3.07Å; L894-L897 PolarHBondContact O-N 3.49Å; R895-L897 VanDerWaalsContact C-N 3.3Å; R895-L897 PolarHBondContact O-N 3.19Å; L897-R899 VanDerWaalsContact C-N 3.3Å; L897-R899 PolarHBondContact O-N 3.44Å; L897-I900 WeakPolarHBondContact O-CB 3.37Å; L897-I900 PolarHBondContact O-N 2.9Å; L897-I900 VanDerWaalsContact O-N 3.12Å; L897-L901 HydrophobicContact CD1-CD1 4.18Å; L897-L901 HydrophobicContact CD1-CD2 4.49Å; L897-L901 HydrophobicContact CD1-CG 4.18Å; L897-L901 HydrophobicContact CG-CD1 4.09Å; L897-L901 HydrophobicContact CG-CG 4.46Å; L897-L901 VanDerWaalsContact O-CG 3.25Å; L897-L901 WeakPolarHBondContact O-CG 3.37Å; L897-L901 PolarHBondContact O-N 3.28Å
898	L	84.4	Confident	72.3	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-54.9	-44.9	176.4	-179.3	62.8	0	0	0	112.1	T730 A733 A741 L894 R895 L901 S902	T730-L898 HydrophobicContact CG2-CD2 4.46Å; A733-L898 HydrophobicContact CB-CD1 3.84Å; A733-L898 HydrophobicContact CB-CD2 3.8Å; A741-L898 HydrophobicContact CB-CD2 3.91Å; L894-L898 PolarHBondContact O-N 2.92Å; R895-L898 PolarHBondContact O-N 3.22Å; L898-L901 PolarHBondContact O-N 3.22Å; L898-S902 PolarHBondContact O-N 3.41Å
899	R	81.6	Confident	69.6	Low	117 Å²	117	52.7 Å²	52.7	44%	0.442	25%	0.25	S	S	.	.	H	α-helix	trans	-65.5	-39.4	176.5	-67.6	178.9	-176.7	-163.5	1.1	112.7	E746 R895 P896 L897 L901 S902 K903	E746-R899 IonicContact OE1-NH2 2.88Å; E746-R899 IonicContact OE2-CZ 2.73Å; E746-R899 IonicContact OE2-NE 3.15Å; E746-R899 IonicContact OE2-NH2 3.51Å; E746-R899 PolarHBondContact OE2-NH2 2.97Å; R895-R899 WeakPolarHBondContact O-CG 3.33Å; R895-R899 PolarHBondContact O-N 3.49Å; P896-R899 PolarHBondContact O-N 3.32Å; L897-R899 VanDerWaalsContact C-N 3.3Å; L897-R899 PolarHBondContact O-N 3.44Å; R899-L901 VanDerWaalsContact C-N 3.27Å; R899-L901 PolarHBondContact O-N 2.92Å; R899-S902 PolarHBondContact O-N 3.41Å; R899-S902 PolarHBondContact O-OG 3.26Å; R899-K903 WeakPolarHBondContact O-CG 3.46Å; R899-K903 PolarHBondContact O-N 3.42Å
900	I	79.6	Confident	67.1	Low	9 Å²	9	56.6 Å²	56.6	5%	0.046	27%	0.27	C	S	.	.	H	α-helix	trans	-59	-42.9	173	-73.3	166.9	0	0	0	109.9	M166 Y169 W196 P896 L897 S902 K903	M166-I900 HydrophobicContact CE-CD1 3.94Å; M166-I900 HydrophobicContact CE-CG2 4.31Å; M166-I900 HydrophobicContact SD-CD1 4.18Å; M166-I900 HydrophobicContact SD-CG2 4.19Å; Y169-I900 HydrophobicContact CD1-CD1 4.09Å; Y169-I900 HydrophobicContact CD1-CG1 4.05Å; Y169-I900 HydrophobicContact CD1-CG2 3.93Å; Y169-I900 HydrophobicContact CD2-CG1 4.35Å; Y169-I900 HydrophobicContact CD2-CG2 4.15Å; Y169-I900 HydrophobicContact CE1-CD1 3.76Å; Y169-I900 HydrophobicContact CE1-CG1 3.77Å; Y169-I900 HydrophobicContact CE2-CG1 4.09Å; Y169-I900 HydrophobicContact CG-CG1 4.33Å; Y169-I900 HydrophobicContact CG-CG2 3.73Å; W196-I900 WeakPolarHBondContact CH2-O 3.29Å; P896-I900 VanDerWaalsContact O-CG1 3.3Å; P896-I900 WeakPolarHBondContact O-CG1 3.4Å; P896-I900 PolarHBondContact O-N 3.31Å; L897-I900 WeakPolarHBondContact O-CB 3.37Å; L897-I900 PolarHBondContact O-N 2.9Å; L897-I900 VanDerWaalsContact O-N 3.12Å; I900-S902 VanDerWaalsContact C-N 3.27Å; I900-S902 PolarHBondContact O-N 3.03Å; I900-K903 PolarHBondContact O-N 3.32Å
901	L	74.6	Confident	64.1	Low	15 Å²	15	60 Å²	60	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-72.7	-13.6	-177	-62.4	178	0	0	0	115.1	I162 R165 W196 L734 L897 L898 R899	I162-L901 HydrophobicContact CB-CD2 4.14Å; I162-L901 HydrophobicContact CD1-CD1 3.45Å; I162-L901 VanDerWaalsContact CD1-CD1 3.45Å; I162-L901 HydrophobicContact CD1-CD2 4.43Å; I162-L901 HydrophobicContact CG1-CD1 3.57Å; I162-L901 HydrophobicContact CG1-CD2 3.6Å; I162-L901 HydrophobicContact CG1-CG 4.2Å; I162-L901 HydrophobicContact CG2-CD1 4.46Å; I162-L901 HydrophobicContact CG2-CD2 4.04Å; R165-L901 HydrophobicContact CB-CD2 3.58Å; R165-L901 HydrophobicContact CG-CD2 4.38Å; R165-L901 PolarHBondContact NH1-O 3.37Å; W196-L901 WeakPolarHBondContact CZ2-O 3.27Å; L734-L901 HydrophobicContact CD1-CD1 3.56Å; L897-L901 HydrophobicContact CD1-CD1 4.18Å; L897-L901 HydrophobicContact CD1-CD2 4.49Å; L897-L901 HydrophobicContact CD1-CG 4.18Å; L897-L901 HydrophobicContact CG-CD1 4.09Å; L897-L901 HydrophobicContact CG-CG 4.46Å; L897-L901 VanDerWaalsContact O-CG 3.25Å; L897-L901 WeakPolarHBondContact O-CG 3.37Å; L897-L901 PolarHBondContact O-N 3.28Å; L898-L901 PolarHBondContact O-N 3.22Å; R899-L901 VanDerWaalsContact C-N 3.27Å; R899-L901 PolarHBondContact O-N 2.92Å
902	S	69.3	Low	61.2	Low	19 Å²	19	63.2 Å²	63.2	13%	0.133	33%	0.328	C	S	.	.	H	α-helix	trans	-103.1	-9.9	175.1	68.7	0	0	0	0	114.7	D739 K763 L898 R899 I900 H904	D739-S902 WeakPolarHBondContact O-CB 3.4Å; D739-S902 PolarHBondContact O-OG 3.45Å; D739-S902 VanDerWaalsContact O-OG 3.06Å; K763-S902 WeakPolarHBondContact CE-O 3.46Å; K763-S902 PolarHBondContact NZ-O 2.77Å; L898-S902 PolarHBondContact O-N 3.41Å; R899-S902 PolarHBondContact O-N 3.41Å; R899-S902 PolarHBondContact O-OG 3.26Å; I900-S902 VanDerWaalsContact C-N 3.27Å; I900-S902 PolarHBondContact O-N 3.03Å; S902-H904 PolarHBondContact O-N 3.34Å; S902-H904 VanDerWaalsContact O-N 3.15Å
903	K	65	Low	58.4	Low	55 Å²	55	65.9 Å²	65.9	24%	0.239	35%	0.346	C	S	.	.			trans	-70.6	101.5	174.9	-82	178.2	178.7	-171.1	0	112	Y169 W196 R899 I900	Y169-K903 HydrophobicContact CD2-CD 4.19Å; Y169-K903 HydrophobicContact CE2-CD 3.66Å; W196-K903 WeakPolarHBondContact CH2-O 3.26Å; W196-K903 WeakPolarHBondContact CZ2-O 3.43Å; R899-K903 WeakPolarHBondContact O-CG 3.46Å; R899-K903 PolarHBondContact O-N 3.42Å; I900-K903 PolarHBondContact O-N 3.32Å
904	H	51.9	Low	55.5	Low	38 Å²	38	70.4 Å²	70.4	18%	0.176	37%	0.366	C	S	.	.			trans	-79	163.4	151.9	-82.3	-101.6	0	0	0	109.6	W196 S902 S906	W196-H904 AromaticContact CD1-CD2 3.9Å; W196-H904 AromaticContact CD1-CE1 3.11Å; W196-H904 AromaticContact CD1-ND1 3.69Å; W196-H904 AromaticContact CD1-NE2 3.24Å; W196-H904 AromaticContact CG-CE1 3.9Å; W196-H904 AromaticContact NE1-CD2 3.49Å; W196-H904 PolarHBondContact NE1-CD2 3.07Å; W196-H904 AromaticContact NE1-CE1 3.53Å; W196-H904 AromaticContact NE1-NE2 3.17Å; W196-H904 PolarHBondContact NE1-NE2 3.15Å; W196-H904 VanDerWaalsContact NE1-NE2 3.17Å; S902-H904 PolarHBondContact O-N 3.34Å; S902-H904 VanDerWaalsContact O-N 3.15Å; H904-S906 PolarHBondContact O-N 2.96Å
905	D	45.2	Very low	52.8	Low	121 Å²	121	74.9 Å²	74.9	65%	0.647	39%	0.393	S	S	*	.	S	Bend	trans	-65.5	74.5	172.3	-75.6	-70.5	0	0	0	112.1	R120 K766	R120-D905 IonicContact CZ-OD1 3.21Å; R120-D905 IonicContact NH2-OD1 2.77Å; R120-D905 PolarHBondContact NH2-OD1 3.4Å; K766-D905 PolarHBondContact NZ-O 3.01Å
906	S	32.8	Very low	49.9	Very low	14 Å²	14	82 Å²	82	10%	0.098	43%	0.432	C	S	.	.	S	Bend	trans	-150.6	91.9	173.3	45.8	0	0	0	0	106.7	H904	H904-S906 PolarHBondContact O-N 2.96Å
907	I	28	Very low	47.4	Very low	149 Å²	149	87 Å²	87	76%	0.764	46%	0.456	S	S	*	.			trans	24.7	106.9	158.5	-50.8	174.2	0	0	0	115.3
908	Y	35.9	Very low	44.6	Very low	96 Å²	96	99.5 Å²	99.5	38%	0.376	51%	0.509	S	S	.	.			trans	-137.7	98.7	159.8	-121	-65.3	0	0	0	107.4	E755 V759	E755-Y908 HydrophobicContact CG-CE1 4.48Å; E755-Y908 WeakPolarHBondContact OE1-CE1 3.48Å; E755-Y908 WeakPolarHBondContact OE2-CE1 3.32Å; E755-Y908 PolarHBondContact OE2-OH 2.95Å; V759-Y908 HydrophobicContact CG2-CE2 4.2Å
909	E	30.3	Very low	42.7	Very low	166 Å²	166	104.2 Å²	104.2	78%	0.776	53%	0.533	S	S	*	.			trans	-75	135.2	162.2	-73.3	-166.8	149	0	0	108.2	S911	E909-S911 PolarHBondContact O-N 2.94Å
910	I	32.9	Very low	40.6	Very low	93 Å²	93	103.5 Å²	103.5	48%	0.477	54%	0.538	S	S	.	.			trans	-81	88.4	-178.8	-60.3	172.4	0	0	0	108.4	F116 A912	F116-I910 HydrophobicContact CE2-CD1 3.76Å; F116-I910 HydrophobicContact CZ-CD1 3.68Å; I910-A912 PolarHBondContact O-N 3.45Å
911	S	27	Very low	38.4	Very low	115 Å²	115	108.8 Å²	108.8	80%	0.804	57%	0.565	S	S	*	*			trans	-82.2	13.3	171.7	52.6	0	0	0	0	113.4	E909	E909-S911 PolarHBondContact O-N 2.94Å
912	A	29	Very low	36.3	Very low	70 Å²	70	114.3 Å²	114.3	58%	0.579	59%	0.594	S	S	*	*	S	Bend	trans	-141.8	63.7	-179.4	0	0	0	0	0	112.8	I910	I910-A912 PolarHBondContact O-N 3.45Å
913	V	29.8	Very low	34.3	Very low	111 Å²	111	120.3 Å²	120.3	67%	0.673	62%	0.623	S	S	*	*			trans	-176.7	97.2	134.1	166.9	0	0	0	0	106.4	V915	V913-V915 VanDerWaalsContact C-N 3.35Å; V913-V915 HydrophobicContact CG1-CB 4.27Å; V913-V915 HydrophobicContact CG1-CG2 3.47Å; V913-V915 VanDerWaalsContact CG1-CG2 3.47Å; V913-V915 PolarHBondContact O-N 2.95Å
914	K	25.3	Very low	32.2	Very low	210 Å²	210	124.6 Å²	124.6	91%	0.913	65%	0.648	S	S	*	*			trans	-80.7	86.1	160.3	-80.9	-175	176	178.3	0	108.2
915	V	30.2	Very low	30.8	Very low	97 Å²	97	130.8 Å²	130.8	59%	0.588	68%	0.682	S	S	*	*			trans	-81.3	118.2	154	171.9	0	0	0	0	105.8	V913 L917	V913-V915 VanDerWaalsContact C-N 3.35Å; V913-V915 HydrophobicContact CG1-CB 4.27Å; V913-V915 HydrophobicContact CG1-CG2 3.47Å; V913-V915 VanDerWaalsContact CG1-CG2 3.47Å; V913-V915 PolarHBondContact O-N 2.95Å; V915-L917 VanDerWaalsContact C-N 3.33Å; V915-L917 HydrophobicContact CG1-CD2 4.21Å; V915-L917 HydrophobicContact CG1-CG 4.02Å; V915-L917 PolarHBondContact O-N 3.32Å
916	D	25.9	Very low	29.7	Very low	159 Å²	159	131.5 Å²	131.5	85%	0.85	69%	0.685	S	S	*	*			trans	-64	94.6	167.8	-80.9	-41.1	0	0	0	108.8
917	L	32	Very low	29.4	Very low	151 Å²	151	141.3 Å²	141.3	79%	0.791	73%	0.734	S	S	*	*			trans	-90	99.4	165.6	-72.8	171.9	0	0	0	108.5	V915	V915-L917 VanDerWaalsContact C-N 3.33Å; V915-L917 HydrophobicContact CG1-CD2 4.21Å; V915-L917 HydrophobicContact CG1-CG 4.02Å; V915-L917 PolarHBondContact O-N 3.32Å
918	K	27	Very low	29.6	Very low	279 Å²	279	140.6 Å²	140.6	100%	1.213	73%	0.731	S	S	*	*			trans	-91.7	0	154	-88.4	-170.1	172.4	-174.4	0	109.8

Retrieved 918 of 918 residues in 263.8 ms (Link to these results)

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