A0A060W0K2_ONCMY Loading...

NLR family, CARD domain containing 3

AlphaFold DB , UniProt , Accession A0A060W0K2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene nlrc3, Length 1,135 aa.

						>A0A060W0K2_ONCMY|A0A060W0K2|nlrc3
MERNTHYNSILDRNKRIAWQEDCYVDLQSTPTSTSTKGEMEDVGWIQKHQGHLQRFITTPLLEGALSHMRKLELLSQDEEAQVQAGGQLQERVGTLTSILASMDPQGSNALQAFLENSDSQMYRLITMHDPMVQEHKEALLLQYPTPSESLSPGPCSPEFSSSRILLLVDGLSDLQQKEHDLMQVEATRGAQRHHVRQLALAKLLEPLTRVSLPPRVSLTVGVAGIGKSTLVGHFVRLWSRGEICTDVSFVLPFAFWELNTGEKLSAERLVKLAFPHMTDPSLVLSGTCRTLLIFDGLDEFRCPLDFSETVPCTDPKKEVSVDDLVTNIIRGNLLPEAAVWVTSRPAVASLIPGGLVDRLTEIPGFSPKEIRLFLSHNFPKGDTASQIWTHLESNKIFMVMSYMPCICWIVAVTFGYLLESGWQEGLPRTCTELYSHFCAMRAEAGEPRGREPIKMDQLNGNNRRLLGSLGRLAFYGLLKHKYTFSEQDMRAYGVDLPSTQGGLGTGVLIREESPSCVAYRFTHLTVQEFLAATYYHICSKRAIFDLFSESAMSWPKIGFQNHFRSALQRSQQAEDGHLDVFVRFLAGLLCPAAVRPLAGLLAQGKDDGGQRVWAAGLLQDLLGSGGAVVSLRSVNVAYCLQELQHTEVLRSVEEDLRCGGLGWKLTRTHCTALAYLLQVSPECSEETNLSACLDYSTVKSLLPQLLYCSHLRLENNNFKDDVMELLGSLLSAKDCHLQKISLAENAISNKGAKALSRALLVNRTLITLDLRSNNIGSKGAKFLAEALKMNQVLVSINFQNNLIEEEGARALAEVLLSNRKLVSLNVQKNCIGADGAKRIAEALKTNRTLTELILSSNQLGDKGTAALAQALTVNHSLHSLHLQSNSISNKGMTALTKALRLNRGLICLNLRENSIGVEGAKDMARALQENSSLRHLDLTANLLHDEGVKAIAGAVKVNRALTTLRLQWNFIKCTATKSLAHALLTNSTMQLLDLQENAIGDEGVVALAGALKTNTSLCTLCLQGVSAGRSGAISMAEALMVNKTLHTLDLRGNFIGMEGAKALANALKTNRTLKSLNLQENSLGMDGAIFIATALKGNHQLTYINLQGNGIGESGAKVISDAIRTNSPDCVVEI
					

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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	34	Very low	28.6	Very low	234 Å²	234	146.9 Å²	146.9	100%	1.153	72%	0.715	S	S	*	*				0	-4.5	0	-81.9	179.1	-178.2	0	0	113.8
2	E	26.2	Very low	28.4	Very low	178 Å²	178	142.6 Å²	142.6	83%	0.832	70%	0.698	S	S	*	*			trans	-93.7	0.3	178.2	-70	174.2	153.5	0	0	115.3	T5	E2-T5 PolarHBondContact O-OG1 3.14Å
3	R	27.8	Very low	28.7	Very low	230 Å²	230	149.6 Å²	149.6	87%	0.868	71%	0.712	S	S	*	*	S	Bend	trans	-84.1	-13.7	176.6	-78.9	-175.6	-178.2	176.3	-0.1	114.8
4	N	28.1	Very low	28.4	Very low	123 Å²	123	148.9 Å²	148.9	66%	0.658	71%	0.714	S	S	*	*	H	α-helix	trans	-92	-11.2	179.9	-84.3	-1.1	0	0	0	114.2	N8	N4-N8 PolarHBondContact O-ND2 3.28Å; N4-N8 VanDerWaalsContact O-ND2 3.1Å
5	T	27.7	Very low	28.3	Very low	99 Å²	99	151.5 Å²	151.5	61%	0.607	72%	0.721	S	S	*	*	H	α-helix	trans	-84.6	-27.1	-177.9	41.8	0	0	0	0	112.8	E2	E2-T5 PolarHBondContact O-OG1 3.14Å
6	H	28.6	Very low	28.6	Very low	142 Å²	142	152.6 Å²	152.6	66%	0.657	72%	0.716	S	S	*	*	H	α-helix	trans	-75.6	-40.5	177.9	-154.4	43.8	0	0	0	112.3	N8 S9	H6-N8 PolarHBondContact O-N 2.76Å; H6-S9 PolarHBondContact O-N 3.36Å; H6-S9 PolarHBondContact O-OG 3.14Å
7	Y	29.3	Very low	28.5	Very low	180 Å²	180	152.5 Å²	152.5	71%	0.706	72%	0.719	S	S	*	*	H	α-helix	trans	-65.4	-33.6	176.2	-102.6	-89.7	0	0	0	113.5	S9	Y7-S9 VanDerWaalsContact C-N 3.33Å; Y7-S9 PolarHBondContact O-N 3.2Å
8	N	29.3	Very low	28.5	Very low	109 Å²	109	148.5 Å²	148.5	58%	0.583	72%	0.717	S	S	*	*	H	α-helix	trans	-75.7	-18.5	176.9	-78.2	-31.4	0	0	0	113.8	N4 H6 I10	N4-N8 PolarHBondContact O-ND2 3.28Å; N4-N8 VanDerWaalsContact O-ND2 3.1Å; H6-N8 PolarHBondContact O-N 2.76Å; N8-I10 VanDerWaalsContact C-N 3.34Å
9	S	27.2	Very low	28.8	Very low	75 Å²	75	148.5 Å²	148.5	52%	0.524	71%	0.708	S	S	.	*	H	α-helix	trans	-77.4	-20.9	177.1	79.9	0	0	0	0	113.5	H6 Y7 L11	H6-S9 PolarHBondContact O-N 3.36Å; H6-S9 PolarHBondContact O-OG 3.14Å; Y7-S9 VanDerWaalsContact C-N 3.33Å; Y7-S9 PolarHBondContact O-N 3.2Å; S9-L11 VanDerWaalsContact C-N 3.34Å
10	I	29.8	Very low	28.9	Very low	125 Å²	125	147.9 Å²	147.9	64%	0.641	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-18.6	177.7	-60.5	171.5	0	0	0	111.2	N8	N8-I10 VanDerWaalsContact C-N 3.34Å
11	L	26.5	Very low	29.2	Very low	121 Å²	121	148.9 Å²	148.9	63%	0.634	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	2.3	-178.2	-73.6	166.6	0	0	0	114.5	S9 R13	S9-L11 VanDerWaalsContact C-N 3.34Å; L11-R13 PolarHBondContact O-N 2.86Å
12	D	26.6	Very low	29.2	Very low	95 Å²	95	145.2 Å²	145.2	51%	0.508	69%	0.694	S	S	.	*			trans	-74.4	90.6	-179	-160.8	-0.6	0	0	0	111.1	N14	D12-N14 PolarHBondContact O-N 3.27Å; D12-N14 PolarHBondContact OD1-ND2 2.71Å
13	R	31.9	Very low	29.4	Very low	234 Å²	234	140.7 Å²	140.7	88%	0.883	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	3.3	-178	-71.3	-179.9	175.3	-177.7	-2.2	115.2	L11	L11-R13 PolarHBondContact O-N 2.86Å
14	N	25.2	Very low	30	Very low	140 Å²	140	133.1 Å²	133.1	75%	0.749	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	0.3	-173.4	-68.1	-43.5	0	0	0	115.3	D12	D12-N14 PolarHBondContact O-N 3.27Å; D12-N14 PolarHBondContact OD1-ND2 2.71Å
15	K	26.5	Very low	30.7	Very low	188 Å²	188	130.3 Å²	130.3	82%	0.817	64%	0.64	S	S	*	*			trans	-122.6	56.4	178.5	-65.3	-175.3	-177.2	176	0	112.6
16	R	32.3	Very low	31.4	Very low	168 Å²	168	132.1 Å²	132.1	63%	0.634	65%	0.646	S	S	*	*			trans	-87.3	127.2	156.2	-78.7	-171.3	176.1	-165.1	-3.3	108.3	A18	R16-A18 PolarHBondContact O-N 2.97Å
17	I	28.1	Very low	32.1	Very low	151 Å²	151	127.2 Å²	127.2	77%	0.774	62%	0.624	S	S	*	*			trans	-51	123.3	168.8	-64.3	167.2	0	0	0	107	W19	I17-W19 PolarHBondContact O-N 3.35Å; I17-W19 VanDerWaalsContact O-N 3.09Å
18	A	27.6	Very low	32.2	Very low	81 Å²	81	126.3 Å²	126.3	67%	0.669	63%	0.627	S	S	*	*			trans	-60.6	115	171.8	0	0	0	0	0	107.7	R16 Q20	R16-A18 PolarHBondContact O-N 2.97Å; A18-Q20 VanDerWaalsContact C-N 3.34Å; A18-Q20 PolarHBondContact O-N 3.17Å
19	W	33.8	Very low	32.4	Very low	148 Å²	148	126.6 Å²	126.6	56%	0.561	64%	0.637	S	S	*	*			trans	-64.4	91.7	177.6	-55.6	99.5	0	0	0	109.4	I17 Y24	I17-W19 PolarHBondContact O-N 3.35Å; I17-W19 VanDerWaalsContact O-N 3.09Å; W19-Y24 AromaticContact CE3-CZ 3.79Å; W19-Y24 HydrophobicContact CZ3-CE1 4.44Å; W19-Y24 WeakPolarHBondContact CZ3-OH 3.26Å
20	Q	31.6	Very low	32.3	Very low	136 Å²	136	128.9 Å²	128.9	64%	0.636	65%	0.648	S	S	*	*			trans	-77.7	125.3	168	-75.2	179.8	-22.3	0	0	108.2	A18 D22	A18-Q20 VanDerWaalsContact C-N 3.34Å; A18-Q20 PolarHBondContact O-N 3.17Å; Q20-D22 PolarHBondContact O-N 3.02Å; Q20-D22 VanDerWaalsContact O-N 3.14Å
21	E	35.5	Very low	32.1	Very low	170 Å²	170	129 Å²	129	79%	0.794	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-60.1	-21	179.7	-70.7	-178.2	156	0	0	112.6	C23	E21-C23 VanDerWaalsContact C-N 3.33Å; E21-C23 PolarHBondContact O-N 3.41Å
22	D	32.9	Very low	32	Very low	156 Å²	156	129.3 Å²	129.3	83%	0.834	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-78.5	-2.1	-172.9	-63.5	-33.1	0	0	0	115.7	Q20	Q20-D22 PolarHBondContact O-N 3.02Å; Q20-D22 VanDerWaalsContact O-N 3.14Å
23	C	31.1	Very low	31.8	Very low	83 Å²	83	130.4 Å²	130.4	56%	0.561	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-112.3	6.4	-175.3	-73.4	0	0	0	0	115.4	E21	E21-C23 VanDerWaalsContact C-N 3.33Å; E21-C23 PolarHBondContact O-N 3.41Å
24	Y	40.9	Very low	31.4	Very low	71 Å²	71	125.7 Å²	125.7	28%	0.278	68%	0.677	S	S	.	*	B	Isolated β-bridge	trans	-86.8	142.1	-176.9	-76.6	-73.5	0	0	0	113.4	W19 T209	W19-Y24 AromaticContact CE3-CZ 3.79Å; W19-Y24 HydrophobicContact CZ3-CE1 4.44Å; W19-Y24 WeakPolarHBondContact CZ3-OH 3.26Å; Y24-T209 HydrophobicContact CD1-CG2 3.76Å; Y24-T209 HydrophobicContact CE1-CG2 3.7Å
25	V	43	Very low	31.4	Very low	65 Å²	65	124.5 Å²	124.5	39%	0.394	68%	0.679	S	S	.	*	P	Polyproline II helix	trans	-72.6	132.6	166.2	-171.3	0	0	0	0	107.6	L27 R210	V25-L27 PolarHBondContact O-N 3.22Å; V25-R210 HydrophobicContact CG2-CG 3.91Å
26	D	41.4	Very low	31.4	Very low	136 Å²	136	122 Å²	122	73%	0.727	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-56.4	119.8	-178.6	-139.1	-20.1	0	0	0	109.7
27	L	44.2	Very low	31.3	Very low	39 Å²	39	124.3 Å²	124.3	20%	0.204	70%	0.695	C	S	.	*			trans	-89.9	-4.3	-170.3	-76	-168.8	0	0	0	113.9	V25 R197 K203	V25-L27 PolarHBondContact O-N 3.22Å; L27-R197 HydrophobicContact CD1-CG 4.46Å; L27-R197 VanDerWaalsContact CG-NH2 3.25Å; L27-K203 HydrophobicContact CD2-CD 3.78Å; L27-K203 PolarHBondContact O-NZ 2.86Å; L27-K203 VanDerWaalsContact O-NZ 3.07Å
28	Q	31.1	Very low	31.2	Very low	162 Å²	162	120.4 Å²	120.4	76%	0.757	69%	0.692	S	S	*	*	S	Bend	trans	-74.6	141.3	179	-63.1	-170	-5	0	0	111.2	T30	Q28-T30 PolarHBondContact O-N 3.12Å
29	S	32.7	Very low	31.4	Very low	115 Å²	115	126 Å²	126	80%	0.804	70%	0.704	S	S	*	*			trans	-55.3	114.8	-173	50.4	0	0	0	0	112.3
30	T	24.8	Very low	31.4	Very low	122 Å²	122	128.5 Å²	128.5	75%	0.748	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-78.4	134.1	160.7	40.9	0	0	0	0	109.3	Q28 T32	Q28-T30 PolarHBondContact O-N 3.12Å; T30-T32 PolarHBondContact O-N 3.4Å
31	P	25.6	Very low	31.8	Very low	128 Å²	128	130.3 Å²	130.3	83%	0.831	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-65.2	131.1	175.3	26	-30.5	0	0	0	109.8	S33	P31-S33 PolarHBondContact O-N 2.95Å
32	T	25.9	Very low	32.4	Very low	128 Å²	128	130.6 Å²	130.6	79%	0.785	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-62	127.6	175.7	33.5	0	0	0	0	110.1	T30 T34	T30-T32 PolarHBondContact O-N 3.4Å; T32-T34 PolarHBondContact O-N 3.01Å
33	S	22.6	Very low	33.8	Very low	118 Å²	118	126.8 Å²	126.8	83%	0.825	72%	0.722	S	S	*	*			trans	-64.2	113.5	172.2	52.2	0	0	0	0	109.4	P31 S35	P31-S33 PolarHBondContact O-N 2.95Å; S33-S35 PolarHBondContact O-N 3.06Å
34	T	23.2	Very low	35.7	Very low	134 Å²	134	123.4 Å²	123.4	82%	0.822	70%	0.701	S	S	*	*			trans	-66.9	108.8	170	35.7	0	0	0	0	109.3	T32 T36	T32-T34 PolarHBondContact O-N 3.01Å; T34-T36 PolarHBondContact O-N 3.07Å
35	S	25.4	Very low	37.7	Very low	116 Å²	116	121.8 Å²	121.8	81%	0.811	69%	0.694	S	S	*	*			trans	-74.8	117.3	164.6	55.6	0	0	0	0	108.7	S33 K37	S33-S35 PolarHBondContact O-N 3.06Å; S35-K37 PolarHBondContact O-N 3.41Å
36	T	25.1	Very low	39.5	Very low	135 Å²	135	118.7 Å²	118.7	83%	0.828	68%	0.676	S	S	*	*			trans	-65.6	124.3	174.5	25.1	0	0	0	0	110	T34 G38	T34-T36 PolarHBondContact O-N 3.07Å; T36-G38 PolarHBondContact O-N 3.41Å; T36-G38 VanDerWaalsContact O-N 3.09Å
37	K	29.8	Very low	41.3	Very low	217 Å²	217	117.3 Å²	117.3	94%	0.943	67%	0.665	S	S	*	*			trans	-65.6	102.8	165.5	-83.8	-179.8	168.4	179.3	0	108.7	S35	S35-K37 PolarHBondContact O-N 3.41Å
38	G	26.5	Very low	43	Very low	69 Å²	69	122.5 Å²	122.5	71%	0.711	69%	0.686	S	S	*	*			trans	-85	146.1	163.6	0	0	0	0	0	110.7	T36	T36-G38 PolarHBondContact O-N 3.41Å; T36-G38 VanDerWaalsContact O-N 3.09Å
39	E	31.7	Very low	45.3	Very low	198 Å²	198	115.5 Å²	115.5	93%	0.925	65%	0.653	S	S	*	*			trans	-58.6	144.3	-177.8	-66.4	170.7	146.7	0	0	112.5	E41	E39-E41 PolarHBondContact O-N 2.95Å
40	M	34.8	Very low	47.5	Very low	200 Å²	200	113.5 Å²	113.5	99%	0.985	63%	0.631	S	S	*	*			trans	-69.8	106.7	-176.4	-78.5	175.8	168.5	0	0	111.9
41	E	40.6	Very low	49.8	Very low	174 Å²	174	110 Å²	110	81%	0.813	62%	0.62	S	S	*	*			trans	-87.6	153.5	147.2	-73.1	-174.6	157.6	0	0	109.2	E39 V43	E39-E41 PolarHBondContact O-N 2.95Å; E41-V43 WeakPolarHBondContact O-CG2 3.36Å; E41-V43 PolarHBondContact O-N 3.16Å
42	D	47.8	Very low	52.1	Low	176 Å²	176	104.9 Å²	104.9	94%	0.941	58%	0.584	S	S	*	*			trans	-72.1	93.9	-177.4	-157.9	8.5	0	0	0	110
43	V	62.5	Low	54.7	Low	77 Å²	77	98.8 Å²	98.8	47%	0.467	55%	0.547	S	S	.	.			trans	-79.3	127.6	-174.3	-178.8	0	0	0	0	110.8	E41 Q47	E41-V43 WeakPolarHBondContact O-CG2 3.36Å; E41-V43 PolarHBondContact O-N 3.16Å; V43-Q47 HydrophobicContact CG1-CB 3.19Å; V43-Q47 HydrophobicContact CG1-CG 4.28Å
44	G	69.2	Low	57.3	Low	12 Å²	12	96.3 Å²	96.3	12%	0.124	52%	0.522	C	S	.	.			trans	-55.2	153.6	177.9	0	0	0	0	0	115.1	I46 Q47 K48 D104	G44-I46 VanDerWaalsContact C-N 3.32Å; G44-I46 PolarHBondContact O-N 2.97Å; G44-Q47 PolarHBondContact O-N 2.99Å; G44-K48 PolarHBondContact O-N 3.45Å; G44-D104 WeakPolarHBondContact CA-OD2 3.22Å
45	W	83.1	Confident	59.7	Low	36 Å²	36	94.9 Å²	94.9	14%	0.136	50%	0.502	C	S	.	.	H	α-helix	trans	-54.3	-41.7	-171.8	-178.1	91.8	0	0	0	113.7	K48 H49 L53 L111 Q112 L115 Y123 I126 T127	W45-K48 PolarHBondContact O-N 3.04Å; W45-H49 AromaticContact CD1-CD2 3.69Å; W45-H49 AromaticContact CE2-CD2 3.7Å; W45-H49 AromaticContact NE1-CD2 3.46Å; W45-H49 PolarHBondContact NE1-CD2 3Å; W45-H49 AromaticContact NE1-NE2 3.82Å; W45-H49 PolarHBondContact O-CD2 3.43Å; W45-H49 PolarHBondContact O-N 3.45Å; W45-L53 HydrophobicContact CH2-CD2 4.03Å; W45-L53 HydrophobicContact CZ3-CD1 4.1Å; W45-L53 HydrophobicContact CZ3-CD2 4.13Å; W45-L111 HydrophobicContact CZ3-CD2 4.35Å; W45-L111 HydrophobicContact CZ3-CG 4.44Å; W45-Q112 HydrophobicContact CD2-CB 4.31Å; W45-Q112 HydrophobicContact CD2-CG 4.19Å; W45-Q112 HydrophobicContact CE3-CB 4.26Å; W45-Q112 HydrophobicContact CZ2-CG 4.09Å; W45-Q112 HydrophobicContact CZ3-CB 4.37Å; W45-L115 HydrophobicContact CH2-CD1 3.72Å; W45-L115 HydrophobicContact CZ3-CD1 4.27Å; W45-Y123 HydrophobicContact CH2-CE2 4.43Å; W45-Y123 HydrophobicContact CZ2-CD2 4.25Å; W45-Y123 AromaticContact CZ2-CE2 3.71Å; W45-Y123 HydrophobicContact CZ2-CE2 3.71Å; W45-I126 HydrophobicContact CH2-CG2 4.3Å; W45-I126 HydrophobicContact CZ2-CG2 4.29Å; W45-T127 HydrophobicContact CZ2-CG2 3.9Å
46	I	82.1	Confident	62.2	Low	0 Å²	0	90 Å²	90	0%	0	47%	0.466	C	S	.	.	H	α-helix	trans	-64.6	-43.9	176.5	-69.8	176.4	0	0	0	111.5	G44 K48 H49 Q50 L53 T97 L100 A101 S108 L111	G44-I46 VanDerWaalsContact C-N 3.32Å; G44-I46 PolarHBondContact O-N 2.97Å; I46-K48 VanDerWaalsContact C-N 3.32Å; I46-K48 PolarHBondContact O-N 2.81Å; I46-H49 CarbonylContact O-C 3.54Å; I46-H49 PolarHBondContact O-N 2.82Å; I46-Q50 WeakPolarHBondContact O-CA 3.46Å; I46-Q50 VanDerWaalsContact O-CB 3.31Å; I46-Q50 WeakPolarHBondContact O-CB 3.33Å; I46-Q50 PolarHBondContact O-N 2.93Å; I46-L53 HydrophobicContact CB-CD1 4.46Å; I46-L53 HydrophobicContact CG1-CD1 4.41Å; I46-L53 HydrophobicContact CG2-CD1 4.1Å; I46-T97 HydrophobicContact CG2-CG2 4.07Å; I46-T97 WeakPolarHBondContact CG2-O 3.16Å; I46-L100 HydrophobicContact CD1-CB 3.52Å; I46-L100 HydrophobicContact CD1-CD1 4.42Å; I46-A101 HydrophobicContact CB-CB 4.4Å; I46-A101 HydrophobicContact CG2-CB 4Å; I46-S108 WeakPolarHBondContact CG1-OG 3.32Å; I46-S108 PolarHBondContact N-OG 3.17Å; I46-L111 HydrophobicContact CD1-CB 4.18Å; I46-L111 HydrophobicContact CD1-CD2 3.76Å; I46-L111 HydrophobicContact CG1-CD2 3.98Å
47	Q	78.6	Confident	64.9	Low	108 Å²	108	84 Å²	84	51%	0.505	43%	0.429	S	S	.	.	H	α-helix	trans	-66.4	-36.3	178	-81.4	176.3	-18.5	0	0	111.2	V43 G44 H49 A101	V43-Q47 HydrophobicContact CG1-CB 3.19Å; V43-Q47 HydrophobicContact CG1-CG 4.28Å; G44-Q47 PolarHBondContact O-N 2.99Å; Q47-H49 PolarHBondContact O-N 2.98Å; Q47-A101 HydrophobicContact CG-CB 4.29Å
48	K	79	Confident	67.4	Low	147 Å²	147	76.9 Å²	76.9	64%	0.639	40%	0.403	S	S	*	.	H	α-helix	trans	-63.3	-37.5	174.7	-175.2	179	178.3	179.9	0	113	G44 W45 I46	G44-K48 PolarHBondContact O-N 3.45Å; W45-K48 PolarHBondContact O-N 3.04Å; I46-K48 VanDerWaalsContact C-N 3.32Å; I46-K48 PolarHBondContact O-N 2.81Å
49	H	81	Confident	70	Confident	16 Å²	16	76.4 Å²	76.4	7%	0.074	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	16	-175.7	-63.8	-66	0	0	0	114.1	W45 I46 Q47 G51 H52 L53 I126	W45-H49 AromaticContact CD1-CD2 3.69Å; W45-H49 AromaticContact CE2-CD2 3.7Å; W45-H49 AromaticContact NE1-CD2 3.46Å; W45-H49 PolarHBondContact NE1-CD2 3Å; W45-H49 AromaticContact NE1-NE2 3.82Å; W45-H49 PolarHBondContact O-CD2 3.43Å; W45-H49 PolarHBondContact O-N 3.45Å; I46-H49 CarbonylContact O-C 3.54Å; I46-H49 PolarHBondContact O-N 2.82Å; Q47-H49 PolarHBondContact O-N 2.98Å; H49-G51 VanDerWaalsContact C-N 3.34Å; H49-G51 PolarHBondContact O-N 3.41Å; H49-H52 AromaticContact ND1-ND1 3.98Å; H49-H52 WeakPolarHBondContact O-CB 3.36Å; H49-H52 PolarHBondContact O-N 3.39Å; H49-L53 HydrophobicContact CB-CD1 4.48Å; H49-L53 WeakPolarHBondContact O-CG 3.42Å; H49-L53 PolarHBondContact O-N 3.38Å; H49-I126 HydrophobicContact CB-CG2 3.95Å; H49-I126 PolarHBondContact ND1-O 2.84Å
50	Q	79.3	Confident	72.4	Confident	73 Å²	73	71.6 Å²	71.6	34%	0.341	37%	0.373	S	S	.	.	H	α-helix	trans	-57.1	-44.3	-170.7	-166.9	176.3	10.6	0	0	112.9	I46 H52 L53 Q54	I46-Q50 WeakPolarHBondContact O-CA 3.46Å; I46-Q50 VanDerWaalsContact O-CB 3.31Å; I46-Q50 WeakPolarHBondContact O-CB 3.33Å; I46-Q50 PolarHBondContact O-N 2.93Å; Q50-H52 VanDerWaalsContact C-N 3.31Å; Q50-H52 PolarHBondContact O-N 2.89Å; Q50-L53 PolarHBondContact O-N 3.42Å; Q50-Q54 WeakPolarHBondContact O-CG 3.41Å; Q50-Q54 PolarHBondContact O-N 3.14Å; Q50-Q54 VanDerWaalsContact O-N 3.12Å
51	G	71.6	Confident	74.7	Confident	49 Å²	49	63.1 Å²	63.1	51%	0.505	33%	0.332	S	S	.	.	H	α-helix	trans	-63.8	-33.9	177.7	0	0	0	0	0	113.2	H49 R55	H49-G51 VanDerWaalsContact C-N 3.34Å; H49-G51 PolarHBondContact O-N 3.41Å; G51-R55 VanDerWaalsContact O-CB 3.28Å; G51-R55 WeakPolarHBondContact O-CB 3.47Å; G51-R55 PolarHBondContact O-N 3.43Å; G51-R55 VanDerWaalsContact O-N 3.11Å
52	H	74.8	Confident	76.9	Confident	19 Å²	19	54.9 Å²	54.9	9%	0.088	29%	0.293	C	S	.	.	H	α-helix	trans	-76.9	-39	177.4	-65.5	164.5	0	0	0	113	H49 Q50 Q54 R55 F56 I126 H129 D130	H49-H52 AromaticContact ND1-ND1 3.98Å; H49-H52 WeakPolarHBondContact O-CB 3.36Å; H49-H52 PolarHBondContact O-N 3.39Å; Q50-H52 VanDerWaalsContact C-N 3.31Å; Q50-H52 PolarHBondContact O-N 2.89Å; H52-Q54 VanDerWaalsContact C-N 3.27Å; H52-Q54 PolarHBondContact O-N 3.23Å; H52-R55 PolarHBondContact O-N 3.43Å; H52-R55 VanDerWaalsContact O-N 3.09Å; H52-F56 HydrophobicContact CB-CD2 3.93Å; H52-F56 HydrophobicContact CB-CE2 4.16Å; H52-F56 AromaticContact CD2-CE2 4Å; H52-F56 VanDerWaalsContact O-CD2 3.3Å; H52-F56 WeakPolarHBondContact O-CD2 3.25Å; H52-F56 PolarHBondContact O-N 2.96Å; H52-I126 HydrophobicContact CB-CG2 4.04Å; H52-I126 PolarHBondContact ND1-O 3.25Å; H52-H129 AromaticContact CE1-ND1 3.71Å; H52-H129 AromaticContact NE2-ND1 3.33Å; H52-H129 PolarHBondContact NE2-ND1 2.63Å; H52-D130 IonicContact CE1-OD1 3.09Å; H52-D130 PolarHBondContact CE1-OD1 3.34Å; H52-D130 IonicContact CE1-OD2 3.03Å; H52-D130 PolarHBondContact CE1-OD2 3.11Å; H52-D130 IonicContact NE2-OD1 3.05Å; H52-D130 PolarHBondContact NE2-OD1 3.11Å; H52-D130 IonicContact NE2-OD2 3.53Å
53	L	80.2	Confident	78.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-57	-47.8	174.2	-70.2	164.4	0	0	0	109.3	W45 I46 H49 Q50 R55 I57 V93 T97 L111 L115 I126	W45-L53 HydrophobicContact CH2-CD2 4.03Å; W45-L53 HydrophobicContact CZ3-CD1 4.1Å; W45-L53 HydrophobicContact CZ3-CD2 4.13Å; I46-L53 HydrophobicContact CB-CD1 4.46Å; I46-L53 HydrophobicContact CG1-CD1 4.41Å; I46-L53 HydrophobicContact CG2-CD1 4.1Å; H49-L53 HydrophobicContact CB-CD1 4.48Å; H49-L53 WeakPolarHBondContact O-CG 3.42Å; H49-L53 PolarHBondContact O-N 3.38Å; Q50-L53 PolarHBondContact O-N 3.42Å; L53-R55 VanDerWaalsContact C-N 3.3Å; L53-R55 PolarHBondContact O-N 3.3Å; L53-I57 HydrophobicContact CB-CD1 4Å; L53-I57 HydrophobicContact CD2-CD1 3.67Å; L53-I57 HydrophobicContact CD2-CG1 4.42Å; L53-I57 HydrophobicContact CG-CD1 4.47Å; L53-I57 WeakPolarHBondContact O-CB 3.36Å; L53-I57 WeakPolarHBondContact O-CG1 3.43Å; L53-I57 PolarHBondContact O-N 3.36Å; L53-I57 VanDerWaalsContact O-N 3.15Å; L53-V93 HydrophobicContact CB-CG1 4.39Å; L53-V93 WeakPolarHBondContact O-CG1 3.48Å; L53-T97 HydrophobicContact CB-CG2 3.95Å; L53-T97 HydrophobicContact CD1-CG2 3.8Å; L53-T97 HydrophobicContact CG-CG2 4.43Å; L53-L111 HydrophobicContact CD1-CD2 4.26Å; L53-L111 HydrophobicContact CD2-CD2 4.26Å; L53-L115 HydrophobicContact CD2-CD1 3.78Å; L53-I126 HydrophobicContact CD2-CD1 4.04Å; L53-I126 HydrophobicContact CD2-CG2 4.1Å; L53-I126 HydrophobicContact CG-CG2 4.26Å
54	Q	77.8	Confident	79.8	Confident	66 Å²	66	49.2 Å²	49.2	31%	0.308	26%	0.264	S	S	.	.	H	α-helix	trans	-64.5	-31.2	175.6	-69.8	177.2	0.8	0	0	113.8	Q50 H52 Q90 V93 G94	Q50-Q54 WeakPolarHBondContact O-CG 3.41Å; Q50-Q54 PolarHBondContact O-N 3.14Å; Q50-Q54 VanDerWaalsContact O-N 3.12Å; H52-Q54 VanDerWaalsContact C-N 3.27Å; H52-Q54 PolarHBondContact O-N 3.23Å; Q54-Q90 WeakPolarHBondContact O-CG 3.18Å; Q54-V93 HydrophobicContact CG-CB 4.49Å; Q54-V93 HydrophobicContact CG-CG1 4.15Å; Q54-G94 VanDerWaalsContact NE2-CA 3.31Å
55	R	73.9	Confident	80.6	Confident	104 Å²	104	48.8 Å²	48.8	39%	0.392	26%	0.259	S	S	.	.	H	α-helix	trans	-81.4	-37.8	-176.8	-171.3	173.5	-177	162.3	4.6	113.7	G51 H52 L53 D247	G51-R55 VanDerWaalsContact O-CB 3.28Å; G51-R55 WeakPolarHBondContact O-CB 3.47Å; G51-R55 PolarHBondContact O-N 3.43Å; G51-R55 VanDerWaalsContact O-N 3.11Å; H52-R55 PolarHBondContact O-N 3.43Å; H52-R55 VanDerWaalsContact O-N 3.09Å; L53-R55 VanDerWaalsContact C-N 3.3Å; L53-R55 PolarHBondContact O-N 3.3Å; R55-D247 PolarHBondContact NH2-O 3.18Å
56	F	77.1	Confident	80.8	Confident	14 Å²	14	47.1 Å²	47.1	6%	0.061	25%	0.253	C	S	.	.	H	α-helix	trans	-112.6	-17.1	-167	-59.7	-60.5	0	0	0	114.7	H52 T58 L125 I126 H129	H52-F56 HydrophobicContact CB-CD2 3.93Å; H52-F56 HydrophobicContact CB-CE2 4.16Å; H52-F56 AromaticContact CD2-CE2 4Å; H52-F56 VanDerWaalsContact O-CD2 3.3Å; H52-F56 WeakPolarHBondContact O-CD2 3.25Å; H52-F56 PolarHBondContact O-N 2.96Å; F56-T58 PolarHBondContact O-N 2.91Å; F56-L125 HydrophobicContact CB-CD2 3.79Å; F56-L125 HydrophobicContact CD1-CD2 3.24Å; F56-L125 HydrophobicContact CD2-CD2 3.41Å; F56-L125 VanDerWaalsContact CD2-CD2 3.41Å; F56-L125 HydrophobicContact CE1-CD2 3.5Å; F56-L125 HydrophobicContact CE2-CD2 3.65Å; F56-L125 HydrophobicContact CG-CD2 3.18Å; F56-L125 HydrophobicContact CZ-CD2 3.69Å; F56-I126 HydrophobicContact CB-CG1 4.22Å; F56-I126 HydrophobicContact CD2-CG1 4.36Å; F56-H129 HydrophobicContact CE2-CB 4.46Å; F56-H129 AromaticContact CZ-CD2 3.68Å; F56-H129 AromaticContact CZ-NE2 3.92Å
57	I	81.6	Confident	80.9	Confident	10 Å²	10	49.8 Å²	49.8	5%	0.051	27%	0.271	C	S	.	.			trans	-68.4	123.6	175.8	-70.5	176.7	0	0	0	109.9	L53 L61 L62 L89 V93 I126	L53-I57 HydrophobicContact CB-CD1 4Å; L53-I57 HydrophobicContact CD2-CD1 3.67Å; L53-I57 HydrophobicContact CD2-CG1 4.42Å; L53-I57 HydrophobicContact CG-CD1 4.47Å; L53-I57 WeakPolarHBondContact O-CB 3.36Å; L53-I57 WeakPolarHBondContact O-CG1 3.43Å; L53-I57 PolarHBondContact O-N 3.36Å; L53-I57 VanDerWaalsContact O-N 3.15Å; I57-L61 HydrophobicContact CG2-CB 4.3Å; I57-L62 HydrophobicContact CG2-CB 3.87Å; I57-L89 WeakPolarHBondContact O-CD2 3.4Å; I57-V93 HydrophobicContact CB-CG1 4.3Å; I57-V93 HydrophobicContact CB-CG2 3.99Å; I57-V93 HydrophobicContact CD1-CG1 3.89Å; I57-V93 HydrophobicContact CG2-CG2 3.76Å; I57-I126 HydrophobicContact CG1-CD1 4.48Å
58	T	81.5	Confident	81.4	Confident	66 Å²	66	47.7 Å²	47.7	41%	0.405	26%	0.262	S	S	.	.			trans	-88.1	160.2	175.5	62.8	0	0	0	0	111.2	F56 L61 L62	F56-T58 PolarHBondContact O-N 2.91Å; T58-L61 WeakPolarHBondContact O-CB 3.43Å; T58-L61 PolarHBondContact O-N 3.28Å; T58-L61 VanDerWaalsContact O-N 3.1Å; T58-L62 PolarHBondContact O-N 2.9Å
59	T	81.7	Confident	81.8	Confident	59 Å²	59	40.7 Å²	40.7	36%	0.362	23%	0.231	S	C	.	.	H	α-helix	trans	-53.2	-45.5	178.9	-44	0	0	0	0	113.7	L61 L62 E63 L89	T59-L61 VanDerWaalsContact C-N 3.31Å; T59-L61 PolarHBondContact O-N 3.41Å; T59-L62 PolarHBondContact O-N 3.3Å; T59-E63 WeakPolarHBondContact O-CG 3.27Å; T59-E63 PolarHBondContact O-N 3.37Å; T59-L89 HydrophobicContact CG2-CD1 4.46Å
60	P	82.7	Confident	82	Confident	98 Å²	98	45.1 Å²	45.1	64%	0.636	25%	0.247	S	C	*	.	H	α-helix	trans	-63.6	-36.5	177.7	-21.5	34.1	0	0	0	112.9	E63 G64	P60-E63 PolarHBondContact O-N 2.93Å; P60-G64 PolarHBondContact O-N 3.5Å
61	L	83.6	Confident	82.3	Confident	22 Å²	22	49.4 Å²	49.4	12%	0.115	27%	0.265	C	S	.	.	H	α-helix	trans	-70.2	-38.4	177.8	-119.1	129.1	0	0	0	111.5	I57 T58 T59 G64 A65 F114 L115 D119 M122	I57-L61 HydrophobicContact CG2-CB 4.3Å; T58-L61 WeakPolarHBondContact O-CB 3.43Å; T58-L61 PolarHBondContact O-N 3.28Å; T58-L61 VanDerWaalsContact O-N 3.1Å; T59-L61 VanDerWaalsContact C-N 3.31Å; T59-L61 PolarHBondContact O-N 3.41Å; L61-G64 PolarHBondContact O-N 3.26Å; L61-A65 VanDerWaalsContact O-CB 3.29Å; L61-A65 WeakPolarHBondContact O-CB 3.43Å; L61-A65 PolarHBondContact O-N 3.45Å; L61-F114 HydrophobicContact CD2-CE1 4.33Å; L61-L115 HydrophobicContact CD2-CD2 3.31Å; L61-D119 HydrophobicContact CD1-CB 4.02Å; L61-M122 HydrophobicContact CD1-CG 4.3Å
62	L	86.3	Confident	82.9	Confident	1 Å²	1	51 Å²	51	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-46.1	173.4	177.2	63.7	0	0	0	111.3	I57 T58 T59 A65 L66 L89 R92 V93 L96	I57-L62 HydrophobicContact CG2-CB 3.87Å; T58-L62 PolarHBondContact O-N 2.9Å; T59-L62 PolarHBondContact O-N 3.3Å; L62-A65 PolarHBondContact O-N 2.9Å; L62-L66 HydrophobicContact CD1-CD1 4.42Å; L62-L66 HydrophobicContact CD1-CG 4.41Å; L62-L66 HydrophobicContact CG-CD1 4.22Å; L62-L66 WeakPolarHBondContact O-CG 3.33Å; L62-L66 PolarHBondContact O-N 3.27Å; L62-L89 HydrophobicContact CB-CD1 4.35Å; L62-L89 HydrophobicContact CD2-CD1 3.57Å; L62-R92 HydrophobicContact CD2-CB 3.7Å; L62-V93 HydrophobicContact CD1-CG2 4.07Å; L62-V93 HydrophobicContact CD2-CG2 4.08Å; L62-V93 HydrophobicContact CG-CG2 4.48Å; L62-L96 HydrophobicContact CD1-CB 4.38Å; L62-L96 HydrophobicContact CD1-CD2 3.42Å; L62-L96 VanDerWaalsContact CD1-CD2 3.42Å
63	E	86.3	Confident	83.3	Confident	105 Å²	105	58.8 Å²	58.8	49%	0.491	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-40.8	177.9	-72.3	179.4	-178	0	0	112	T59 P60 L66 S67	T59-E63 WeakPolarHBondContact O-CG 3.27Å; T59-E63 PolarHBondContact O-N 3.37Å; P60-E63 PolarHBondContact O-N 2.93Å; E63-L66 PolarHBondContact O-N 2.85Å; E63-S67 WeakPolarHBondContact O-CB 3.4Å; E63-S67 PolarHBondContact O-N 2.98Å
64	G	85	Confident	83.4	Confident	29 Å²	29	59.5 Å²	59.5	30%	0.299	30%	0.301	S	S	.	.	H	α-helix	trans	-60.8	-43.2	171.8	0	0	0	0	0	112.4	P60 L61 S67 H68	P60-G64 PolarHBondContact O-N 3.5Å; L61-G64 PolarHBondContact O-N 3.26Å; G64-S67 PolarHBondContact O-N 3.5Å; G64-H68 WeakPolarHBondContact O-CB 3.09Å; G64-H68 PolarHBondContact O-N 2.72Å
65	A	85.2	Confident	83.8	Confident	3 Å²	3	56.6 Å²	56.6	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-64.2	-45.9	177.8	0	0	0	0	0	111.2	L61 L62 S67 H68 M69 L96 L111 F114	L61-A65 VanDerWaalsContact O-CB 3.29Å; L61-A65 WeakPolarHBondContact O-CB 3.43Å; L61-A65 PolarHBondContact O-N 3.45Å; L62-A65 PolarHBondContact O-N 2.9Å; A65-S67 PolarHBondContact O-N 3.05Å; A65-H68 PolarHBondContact O-N 3.49Å; A65-H68 VanDerWaalsContact O-N 3.16Å; A65-M69 VanDerWaalsContact O-CG 3.27Å; A65-M69 WeakPolarHBondContact O-CG 3.48Å; A65-M69 PolarHBondContact O-N 3.34Å; A65-L96 HydrophobicContact CB-CD2 4.28Å; A65-L111 HydrophobicContact CB-CD1 4.25Å; A65-F114 HydrophobicContact CB-CD1 3.84Å; A65-F114 HydrophobicContact CB-CE1 3.58Å; A65-F114 HydrophobicContact CB-CZ 4.23Å; A65-F114 VanDerWaalsContact N-CZ 3.25Å
66	L	87.6	Confident	84.3	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-58.6	-46.9	176.9	-73.1	169.7	0	0	0	111.8	L62 E63 H68 M69 R70 L75 E80 V83 Q84 L96	L62-L66 HydrophobicContact CD1-CD1 4.42Å; L62-L66 HydrophobicContact CD1-CG 4.41Å; L62-L66 HydrophobicContact CG-CD1 4.22Å; L62-L66 WeakPolarHBondContact O-CG 3.33Å; L62-L66 PolarHBondContact O-N 3.27Å; E63-L66 PolarHBondContact O-N 2.85Å; L66-H68 VanDerWaalsContact C-N 3.31Å; L66-H68 PolarHBondContact O-N 2.9Å; L66-M69 PolarHBondContact O-N 3.48Å; L66-R70 WeakPolarHBondContact O-CB 3.35Å; L66-R70 PolarHBondContact O-N 2.94Å; L66-L75 HydrophobicContact CD2-CD1 4.49Å; L66-L75 HydrophobicContact CD2-CD2 4.06Å; L66-E80 HydrophobicContact CD2-CG 4.42Å; L66-V83 HydrophobicContact CD1-CG1 4.01Å; L66-V83 HydrophobicContact CD2-CB 4.09Å; L66-V83 HydrophobicContact CD2-CG1 3.89Å; L66-V83 HydrophobicContact CD2-CG2 4.33Å; L66-V83 HydrophobicContact CG-CG1 4.48Å; L66-Q84 HydrophobicContact CD1-CG 4.33Å; L66-L96 HydrophobicContact CD2-CD1 3.81Å; L66-L96 HydrophobicContact CD2-CD2 4.26Å; L66-L96 HydrophobicContact CG-CD2 4.48Å
67	S	85.3	Confident	84.5	Confident	56 Å²	56	59.9 Å²	59.9	39%	0.392	31%	0.314	S	S	.	.	H	α-helix	trans	-60.9	-39.7	175.9	-174.2	0	0	0	0	112.2	E63 G64 A65 K71	E63-S67 WeakPolarHBondContact O-CB 3.4Å; E63-S67 PolarHBondContact O-N 2.98Å; G64-S67 PolarHBondContact O-N 3.5Å; A65-S67 PolarHBondContact O-N 3.05Å; S67-K71 WeakPolarHBondContact O-CG 3.45Å; S67-K71 PolarHBondContact O-N 3.29Å
68	H	87.1	Confident	84.6	Confident	64 Å²	64	65.9 Å²	65.9	30%	0.296	35%	0.346	S	S	.	.	H	α-helix	trans	-70.2	-46	178.3	-169.8	78.3	0	0	0	112.5	G64 A65 L66 R70 K71 L72 F114	G64-H68 WeakPolarHBondContact O-CB 3.09Å; G64-H68 PolarHBondContact O-N 2.72Å; A65-H68 PolarHBondContact O-N 3.49Å; A65-H68 VanDerWaalsContact O-N 3.16Å; L66-H68 VanDerWaalsContact C-N 3.31Å; L66-H68 PolarHBondContact O-N 2.9Å; H68-R70 VanDerWaalsContact C-N 3.3Å; H68-R70 PolarHBondContact O-N 3.37Å; H68-K71 WeakPolarHBondContact O-CB 3.28Å; H68-K71 PolarHBondContact O-N 3.32Å; H68-K71 VanDerWaalsContact O-N 3.14Å; H68-L72 PolarHBondContact O-N 3.43Å; H68-L72 VanDerWaalsContact O-N 3.12Å; H68-F114 HydrophobicContact CB-CD2 3.48Å; H68-F114 VanDerWaalsContact CB-CD2 3.48Å; H68-F114 HydrophobicContact CB-CE2 3.76Å; H68-F114 HydrophobicContact CB-CG 4.26Å; H68-F114 AromaticContact CD2-CD2 3.69Å; H68-F114 AromaticContact CG-CD2 3.43Å; H68-F114 VanDerWaalsContact CG-CD2 3.43Å; H68-F114 AromaticContact ND1-CD2 3.94Å
69	M	89.3	Confident	84.7	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-63.4	-37.1	178.5	-64.7	-48.3	131.6	0	0	111.8	A65 L66 L72 E73 L74 L75 L100 A110 L111 F114	A65-M69 VanDerWaalsContact O-CG 3.27Å; A65-M69 WeakPolarHBondContact O-CG 3.48Å; A65-M69 PolarHBondContact O-N 3.34Å; L66-M69 PolarHBondContact O-N 3.48Å; M69-L72 CarbonylContact O-C 3.59Å; M69-L72 PolarHBondContact O-N 2.93Å; M69-E73 PolarHBondContact O-N 2.89Å; M69-L74 PolarHBondContact O-N 3.01Å; M69-L74 HydrophobicContact SD-CD1 4.21Å; M69-L75 HydrophobicContact CB-CB 4.11Å; M69-L75 HydrophobicContact CB-CD1 3.64Å; M69-L75 HydrophobicContact CG-CD1 4.16Å; M69-L100 HydrophobicContact CG-CD1 4.15Å; M69-L100 HydrophobicContact CG-CD2 4.15Å; M69-L100 HydrophobicContact SD-CD1 4.37Å; M69-L100 HydrophobicContact SD-CD2 4.18Å; M69-A110 HydrophobicContact CE-CB 4.29Å; M69-A110 HydrophobicContact SD-CB 3.79Å; M69-L111 HydrophobicContact CE-CB 4.31Å; M69-L111 HydrophobicContact CE-CD1 4.08Å; M69-F114 HydrophobicContact CE-CB 3.88Å; M69-F114 HydrophobicContact CE-CG 4.37Å
70	R	85.3	Confident	84.9	Confident	108 Å²	108	63.6 Å²	63.6	41%	0.408	33%	0.327	S	S	.	.	H	α-helix	trans	-63.6	-39.7	173.5	-171.4	-178.2	-175.9	172.1	-8.4	112.5	L66 H68 L72 E73 E80	L66-R70 WeakPolarHBondContact O-CB 3.35Å; L66-R70 PolarHBondContact O-N 2.94Å; H68-R70 VanDerWaalsContact C-N 3.3Å; H68-R70 PolarHBondContact O-N 3.37Å; R70-L72 PolarHBondContact O-N 3.25Å; R70-E73 PolarHBondContact O-N 3.41Å; R70-E73 VanDerWaalsContact O-N 3.14Å; R70-E80 VanDerWaalsContact CD-OE2 3.26Å; R70-E80 WeakPolarHBondContact CD-OE2 3.38Å; R70-E80 IonicContact CZ-OE2 3.46Å; R70-E80 IonicContact NE-OE2 3.6Å; R70-E80 IonicContact NH1-OE2 2.76Å; R70-E80 PolarHBondContact NH1-OE2 3.03Å
71	K	84.4	Confident	84.9	Confident	164 Å²	164	61.7 Å²	61.7	71%	0.713	32%	0.319	S	S	*	.	H	α-helix	trans	-66.1	-27.2	175.3	-76	176.2	-175.8	178.5	0	113	S67 H68 E73	S67-K71 WeakPolarHBondContact O-CG 3.45Å; S67-K71 PolarHBondContact O-N 3.29Å; H68-K71 WeakPolarHBondContact O-CB 3.28Å; H68-K71 PolarHBondContact O-N 3.32Å; H68-K71 VanDerWaalsContact O-N 3.14Å; K71-E73 VanDerWaalsContact C-N 3.29Å
72	L	85	Confident	84.9	Confident	82 Å²	82	66.1 Å²	66.1	43%	0.429	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	4.1	175.2	-66.9	175.6	0	0	0	113.1	H68 M69 R70 L74 A110	H68-L72 PolarHBondContact O-N 3.43Å; H68-L72 VanDerWaalsContact O-N 3.12Å; M69-L72 CarbonylContact O-C 3.59Å; M69-L72 PolarHBondContact O-N 2.93Å; R70-L72 PolarHBondContact O-N 3.25Å; L72-L74 HydrophobicContact CB-CD1 3.94Å; L72-L74 HydrophobicContact CB-CG 4.04Å; L72-L74 HydrophobicContact CD1-CD1 4.17Å; L72-L74 PolarHBondContact O-N 3.22Å; L72-L74 VanDerWaalsContact O-N 3.17Å; L72-A110 HydrophobicContact CD1-CB 3.93Å
73	E	82.3	Confident	84.8	Confident	182 Å²	182	66.1 Å²	66.1	85%	0.85	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	21.2	-175.4	-56.9	-177.2	170.1	0	0	114	M69 R70 K71	M69-E73 PolarHBondContact O-N 2.89Å; R70-E73 PolarHBondContact O-N 3.41Å; R70-E73 VanDerWaalsContact O-N 3.14Å; K71-E73 VanDerWaalsContact C-N 3.29Å
74	L	82.1	Confident	84.7	Confident	15 Å²	15	65.9 Å²	65.9	8%	0.079	34%	0.338	C	S	.	.			trans	-88.6	-5.4	177.3	-66.4	171.9	0	0	0	113.1	M69 L72 L100 Q106 A110	M69-L74 PolarHBondContact O-N 3.01Å; M69-L74 HydrophobicContact SD-CD1 4.21Å; L72-L74 HydrophobicContact CB-CD1 3.94Å; L72-L74 HydrophobicContact CB-CG 4.04Å; L72-L74 HydrophobicContact CD1-CD1 4.17Å; L72-L74 PolarHBondContact O-N 3.22Å; L72-L74 VanDerWaalsContact O-N 3.17Å; L74-L100 HydrophobicContact CB-CD2 4.48Å; L74-Q106 HydrophobicContact CD2-CG 4.03Å; L74-A110 HydrophobicContact CD1-CB 3.24Å
75	L	86.4	Confident	84.5	Confident	6 Å²	6	68.7 Å²	68.7	3%	0.031	36%	0.358	C	S	.	.	S	Bend	trans	-139.9	121.8	179.3	-121.8	123.4	0	0	0	110	L66 M69 E79 E80 L96 L100	L66-L75 HydrophobicContact CD2-CD1 4.49Å; L66-L75 HydrophobicContact CD2-CD2 4.06Å; M69-L75 HydrophobicContact CB-CB 4.11Å; M69-L75 HydrophobicContact CB-CD1 3.64Å; M69-L75 HydrophobicContact CG-CD1 4.16Å; L75-E79 HydrophobicContact CD2-CB 3.92Å; L75-E79 HydrophobicContact CG-CB 4.35Å; L75-E80 HydrophobicContact CD2-CB 3.86Å; L75-L96 HydrophobicContact CD1-CD1 3.35Å; L75-L100 HydrophobicContact CD1-CD2 4.19Å
76	S	85.3	Confident	84	Confident	53 Å²	53	69.4 Å²	69.4	37%	0.371	37%	0.366	S	S	.	.			trans	-75.4	164.2	173.1	67	0	0	0	0	111.9	D78 E79 E80	S76-D78 PolarHBondContact O-N 2.51Å; S76-E79 WeakPolarHBondContact CB-OE2 3.46Å; S76-E79 PolarHBondContact N-OE2 3.46Å; S76-E79 PolarHBondContact O-N 2.92Å; S76-E79 WeakPolarHBondContact OG-CB 3Å; S76-E79 VanDerWaalsContact OG-CD 3.24Å; S76-E79 VanDerWaalsContact OG-CG 3.25Å; S76-E79 WeakPolarHBondContact OG-CG 3.42Å; S76-E79 PolarHBondContact OG-N 3.25Å; S76-E79 PolarHBondContact OG-OE2 2.57Å; S76-E80 PolarHBondContact O-N 2.85Å
77	Q	81.4	Confident	83.4	Confident	133 Å²	133	72.8 Å²	72.8	62%	0.621	40%	0.401	S	S	*	.	H	α-helix	trans	-60.6	-35.1	176	-101.2	-176.3	-46.3	0	0	112.8	A81	Q77-A81 WeakPolarHBondContact O-CB 3.35Å; Q77-A81 PolarHBondContact O-N 2.98Å; Q77-A81 VanDerWaalsContact O-N 3.07Å
78	D	82.1	Confident	83.1	Confident	137 Å²	137	76 Å²	76	73%	0.733	41%	0.41	S	S	*	.	H	α-helix	trans	-73.3	-38.9	-179.9	-65.2	-29.6	0	0	0	111.2	S76 A81 Q82	S76-D78 PolarHBondContact O-N 2.51Å; D78-A81 PolarHBondContact O-N 3.04Å; D78-Q82 WeakPolarHBondContact O-CB 3.21Å; D78-Q82 PolarHBondContact O-N 2.91Å
79	E	84.4	Confident	82.9	Confident	51 Å²	51	75.7 Å²	75.7	24%	0.238	41%	0.41	C	S	.	.	H	α-helix	trans	-68.2	-37.1	174.6	-74.1	165	145.2	0	0	112.4	L75 S76 Q82 V83 I99	L75-E79 HydrophobicContact CD2-CB 3.92Å; L75-E79 HydrophobicContact CG-CB 4.35Å; S76-E79 WeakPolarHBondContact CB-OE2 3.46Å; S76-E79 PolarHBondContact N-OE2 3.46Å; S76-E79 PolarHBondContact O-N 2.92Å; S76-E79 WeakPolarHBondContact OG-CB 3Å; S76-E79 VanDerWaalsContact OG-CD 3.24Å; S76-E79 VanDerWaalsContact OG-CG 3.25Å; S76-E79 WeakPolarHBondContact OG-CG 3.42Å; S76-E79 PolarHBondContact OG-N 3.25Å; S76-E79 PolarHBondContact OG-OE2 2.57Å; E79-Q82 WeakPolarHBondContact O-CB 3.5Å; E79-Q82 PolarHBondContact O-N 3Å; E79-V83 WeakPolarHBondContact O-CG2 3.15Å; E79-V83 PolarHBondContact O-N 3.19Å; E79-I99 HydrophobicContact CB-CD1 4.16Å; E79-I99 HydrophobicContact CG-CD1 4.38Å
80	E	84.9	Confident	82.4	Confident	26 Å²	26	80.9 Å²	80.9	12%	0.121	44%	0.435	C	S	.	.	H	α-helix	trans	-65	-44.1	174.4	-174.5	-176.7	-174.1	0	0	110.3	L66 R70 L75 S76 Q82 V83 Q84	L66-E80 HydrophobicContact CD2-CG 4.42Å; R70-E80 VanDerWaalsContact CD-OE2 3.26Å; R70-E80 WeakPolarHBondContact CD-OE2 3.38Å; R70-E80 IonicContact CZ-OE2 3.46Å; R70-E80 IonicContact NE-OE2 3.6Å; R70-E80 IonicContact NH1-OE2 2.76Å; R70-E80 PolarHBondContact NH1-OE2 3.03Å; L75-E80 HydrophobicContact CD2-CB 3.86Å; S76-E80 PolarHBondContact O-N 2.85Å; E80-Q82 VanDerWaalsContact C-N 3.28Å; E80-Q82 PolarHBondContact O-N 3.44Å; E80-V83 PolarHBondContact O-N 2.86Å; E80-Q84 WeakPolarHBondContact O-CG 3.29Å; E80-Q84 PolarHBondContact O-N 3.29Å
81	A	82.6	Confident	82.3	Confident	58 Å²	58	81.1 Å²	81.1	48%	0.479	44%	0.44	S	S	.	.	H	α-helix	trans	-61.5	-37.2	174.5	0	0	0	0	0	111.8	Q77 D78 Q84 A85	Q77-A81 WeakPolarHBondContact O-CB 3.35Å; Q77-A81 PolarHBondContact O-N 2.98Å; Q77-A81 VanDerWaalsContact O-N 3.07Å; D78-A81 PolarHBondContact O-N 3.04Å; A81-Q84 PolarHBondContact O-N 3.37Å; A81-A85 WeakPolarHBondContact O-CB 3.34Å; A81-A85 PolarHBondContact O-N 3.41Å
82	Q	85.4	Confident	82.4	Confident	115 Å²	115	75.1 Å²	75.1	54%	0.537	41%	0.413	S	S	.	.	H	α-helix	trans	-64.5	-43.2	175	-173.6	-178.7	-9.2	0	0	112.2	D78 E79 E80 Q84 A85 T95	D78-Q82 WeakPolarHBondContact O-CB 3.21Å; D78-Q82 PolarHBondContact O-N 2.91Å; E79-Q82 WeakPolarHBondContact O-CB 3.5Å; E79-Q82 PolarHBondContact O-N 3Å; E80-Q82 VanDerWaalsContact C-N 3.28Å; E80-Q82 PolarHBondContact O-N 3.44Å; Q82-Q84 VanDerWaalsContact C-N 3.32Å; Q82-Q84 PolarHBondContact O-N 2.89Å; Q82-A85 PolarHBondContact O-N 3.4Å; Q82-T95 HydrophobicContact CG-CG2 4.24Å
83	V	84.2	Confident	82.4	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-65.9	-35.7	174.2	174.5	0	0	0	0	111.4	L66 E79 E80 R92 T95 L96 I99	L66-V83 HydrophobicContact CD1-CG1 4.01Å; L66-V83 HydrophobicContact CD2-CB 4.09Å; L66-V83 HydrophobicContact CD2-CG1 3.89Å; L66-V83 HydrophobicContact CD2-CG2 4.33Å; L66-V83 HydrophobicContact CG-CG1 4.48Å; E79-V83 WeakPolarHBondContact O-CG2 3.15Å; E79-V83 PolarHBondContact O-N 3.19Å; E80-V83 PolarHBondContact O-N 2.86Å; V83-R92 HydrophobicContact CG1-CB 4.15Å; V83-R92 WeakPolarHBondContact CG1-O 3.32Å; V83-R92 WeakPolarHBondContact O-CB 3.37Å; V83-R92 WeakPolarHBondContact O-CG 3.49Å; V83-R92 PolarHBondContact O-NE 3.36Å; V83-T95 HydrophobicContact CG2-CG2 3.88Å; V83-L96 HydrophobicContact CG1-CB 4.13Å; V83-L96 HydrophobicContact CG2-CB 4.08Å; V83-I99 HydrophobicContact CG2-CD1 3.85Å
84	Q	83.1	Confident	82.5	Confident	101 Å²	101	63.2 Å²	63.2	47%	0.472	36%	0.359	S	S	.	.	H	α-helix	trans	-76.1	-22.3	178.1	-69.2	-166.7	10.8	0	0	113.7	L66 E80 A81 Q82 G86	L66-Q84 HydrophobicContact CD1-CG 4.33Å; E80-Q84 WeakPolarHBondContact O-CG 3.29Å; E80-Q84 PolarHBondContact O-N 3.29Å; A81-Q84 PolarHBondContact O-N 3.37Å; Q82-Q84 VanDerWaalsContact C-N 3.32Å; Q82-Q84 PolarHBondContact O-N 2.89Å; Q84-G86 VanDerWaalsContact C-N 3.28Å; Q84-G86 PolarHBondContact O-N 3.1Å
85	A	81.4	Confident	82.6	Confident	87 Å²	87	64.3 Å²	64.3	72%	0.719	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-15.4	177.4	0	0	0	0	0	114	A81 Q82	A81-A85 WeakPolarHBondContact O-CB 3.34Å; A81-A85 PolarHBondContact O-N 3.41Å; Q82-A85 PolarHBondContact O-N 3.4Å
86	G	73.3	Confident	82.6	Confident	19 Å²	19	64.1 Å²	64.1	20%	0.196	37%	0.365	C	S	.	.			trans	-65.5	138.9	175.8	0	0	0	0	0	112.3	Q84 R92	Q84-G86 VanDerWaalsContact C-N 3.28Å; Q84-G86 PolarHBondContact O-N 3.1Å; G86-R92 WeakPolarHBondContact O-CD 3.11Å; G86-R92 WeakPolarHBondContact O-CG 3.45Å
87	G	75.8	Confident	82.7	Confident	72 Å²	72	61.6 Å²	61.6	74%	0.742	35%	0.348	S	S	*	.	S	Bend	trans	-74.8	-56.3	-174	0	0	0	0	0	112.9	E91	G87-E91 PolarHBondContact N-OE2 2.76Å
88	Q	80.1	Confident	82.9	Confident	124 Å²	124	58.8 Å²	58.8	58%	0.579	34%	0.342	S	S	*	.	S	Bend	trans	-92.2	147.2	-179.8	-66.4	-174.5	6.3	0	0	111.6	Q90 E91 R92	Q88-Q90 PolarHBondContact O-N 3.2Å; Q88-Q90 VanDerWaalsContact O-N 3.17Å; Q88-E91 HydrophobicContact CB-CG 4.47Å; Q88-E91 PolarHBondContact N-OE2 3.15Å; Q88-E91 WeakPolarHBondContact O-CB 3.3Å; Q88-E91 PolarHBondContact O-N 2.84Å; Q88-R92 WeakPolarHBondContact O-CG 3.5Å; Q88-R92 PolarHBondContact O-N 2.98Å; Q88-R92 VanDerWaalsContact O-N 3.15Å
89	L	81.4	Confident	83.1	Confident	56 Å²	56	53 Å²	53	29%	0.293	31%	0.312	S	S	.	.	H	α-helix	trans	-52.4	-40.9	-179.7	179.7	64.8	0	0	0	112.6	I57 T59 L62 E91 R92 V93	I57-L89 WeakPolarHBondContact O-CD2 3.4Å; T59-L89 HydrophobicContact CG2-CD1 4.46Å; L62-L89 HydrophobicContact CB-CD1 4.35Å; L62-L89 HydrophobicContact CD2-CD1 3.57Å; L89-E91 PolarHBondContact O-N 3.33Å; L89-R92 WeakPolarHBondContact O-CB 3.26Å; L89-R92 PolarHBondContact O-N 3.28Å; L89-V93 HydrophobicContact CD1-CG2 4.3Å; L89-V93 HydrophobicContact CG-CG2 4.36Å; L89-V93 VanDerWaalsContact O-CG2 3.3Å; L89-V93 WeakPolarHBondContact O-CG2 3.37Å; L89-V93 PolarHBondContact O-N 2.9Å
90	Q	80.3	Confident	83.1	Confident	110 Å²	110	50.6 Å²	50.6	51%	0.514	30%	0.3	S	S	.	.	H	α-helix	trans	-63.2	-37.9	179.2	-71.7	151.2	-12.1	0	0	112.8	Q54 Q88 G94	Q54-Q90 WeakPolarHBondContact O-CG 3.18Å; Q88-Q90 PolarHBondContact O-N 3.2Å; Q88-Q90 VanDerWaalsContact O-N 3.17Å; Q90-G94 PolarHBondContact O-N 3.16Å
91	E	81.8	Confident	83.1	Confident	112 Å²	112	50.3 Å²	50.3	52%	0.523	30%	0.302	S	S	.	.	H	α-helix	trans	-67.9	-39.8	174.8	-67.5	179.3	151.6	0	0	111.2	G87 Q88 L89 G94 T95	G87-E91 PolarHBondContact N-OE2 2.76Å; Q88-E91 HydrophobicContact CB-CG 4.47Å; Q88-E91 PolarHBondContact N-OE2 3.15Å; Q88-E91 WeakPolarHBondContact O-CB 3.3Å; Q88-E91 PolarHBondContact O-N 2.84Å; L89-E91 PolarHBondContact O-N 3.33Å; E91-G94 PolarHBondContact O-N 2.89Å; E91-T95 WeakPolarHBondContact O-CB 3.33Å; E91-T95 PolarHBondContact O-N 3.46Å; E91-T95 PolarHBondContact O-OG1 2.83Å
92	R	87	Confident	83	Confident	39 Å²	39	52.1 Å²	52.1	15%	0.147	31%	0.311	C	S	.	.	H	α-helix	trans	-64	-47.9	176.8	-58.5	178.6	56.6	-169.7	-6.6	110.7	L62 V83 G86 Q88 L89 G94 T95 L96	L62-R92 HydrophobicContact CD2-CB 3.7Å; V83-R92 HydrophobicContact CG1-CB 4.15Å; V83-R92 WeakPolarHBondContact CG1-O 3.32Å; V83-R92 WeakPolarHBondContact O-CB 3.37Å; V83-R92 WeakPolarHBondContact O-CG 3.49Å; V83-R92 PolarHBondContact O-NE 3.36Å; G86-R92 WeakPolarHBondContact O-CD 3.11Å; G86-R92 WeakPolarHBondContact O-CG 3.45Å; Q88-R92 WeakPolarHBondContact O-CG 3.5Å; Q88-R92 PolarHBondContact O-N 2.98Å; Q88-R92 VanDerWaalsContact O-N 3.15Å; L89-R92 WeakPolarHBondContact O-CB 3.26Å; L89-R92 PolarHBondContact O-N 3.28Å; R92-G94 VanDerWaalsContact C-N 3.32Å; R92-G94 PolarHBondContact O-N 2.94Å; R92-T95 PolarHBondContact O-N 3.15Å; R92-L96 PolarHBondContact O-N 3.16Å
93	V	85.3	Confident	82.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.6	-40	174.8	177.8	0	0	0	0	111.2	L53 Q54 I57 L62 L89 L96 T97	L53-V93 HydrophobicContact CB-CG1 4.39Å; L53-V93 WeakPolarHBondContact O-CG1 3.48Å; Q54-V93 HydrophobicContact CG-CB 4.49Å; Q54-V93 HydrophobicContact CG-CG1 4.15Å; I57-V93 HydrophobicContact CB-CG1 4.3Å; I57-V93 HydrophobicContact CB-CG2 3.99Å; I57-V93 HydrophobicContact CD1-CG1 3.89Å; I57-V93 HydrophobicContact CG2-CG2 3.76Å; L62-V93 HydrophobicContact CD1-CG2 4.07Å; L62-V93 HydrophobicContact CD2-CG2 4.08Å; L62-V93 HydrophobicContact CG-CG2 4.48Å; L89-V93 HydrophobicContact CD1-CG2 4.3Å; L89-V93 HydrophobicContact CG-CG2 4.36Å; L89-V93 VanDerWaalsContact O-CG2 3.3Å; L89-V93 WeakPolarHBondContact O-CG2 3.37Å; L89-V93 PolarHBondContact O-N 2.9Å; V93-L96 PolarHBondContact O-N 3.33Å; V93-T97 HydrophobicContact CG1-CG2 4.23Å; V93-T97 WeakPolarHBondContact O-CB 3.35Å; V93-T97 WeakPolarHBondContact O-CG2 3.48Å; V93-T97 PolarHBondContact O-N 3.22Å; V93-T97 PolarHBondContact O-OG1 3.36Å
94	G	84	Confident	82.5	Confident	13 Å²	13	53 Å²	53	13%	0.134	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-42.1	175	0	0	0	0	0	113.2	Q54 Q90 E91 R92 T97 S98	Q54-G94 VanDerWaalsContact NE2-CA 3.31Å; Q90-G94 PolarHBondContact O-N 3.16Å; E91-G94 PolarHBondContact O-N 2.89Å; R92-G94 VanDerWaalsContact C-N 3.32Å; R92-G94 PolarHBondContact O-N 2.94Å; G94-T97 WeakPolarHBondContact CA-OG1 3.37Å; G94-T97 PolarHBondContact O-OG1 3.03Å; G94-S98 VanDerWaalsContact O-CB 3.32Å; G94-S98 WeakPolarHBondContact O-CB 3.19Å; G94-S98 PolarHBondContact O-N 3.43Å
95	T	85.3	Confident	82.1	Confident	39 Å²	39	52.3 Å²	52.3	24%	0.239	32%	0.323	C	S	.	.	H	α-helix	trans	-66.2	-46.2	177.1	-53	0	0	0	0	110.7	Q82 V83 E91 R92 S98 I99	Q82-T95 HydrophobicContact CG-CG2 4.24Å; V83-T95 HydrophobicContact CG2-CG2 3.88Å; E91-T95 WeakPolarHBondContact O-CB 3.33Å; E91-T95 PolarHBondContact O-N 3.46Å; E91-T95 PolarHBondContact O-OG1 2.83Å; R92-T95 PolarHBondContact O-N 3.15Å; T95-S98 PolarHBondContact O-N 2.78Å; T95-I99 HydrophobicContact CG2-CD1 4.06Å; T95-I99 VanDerWaalsContact O-CG1 3.3Å; T95-I99 WeakPolarHBondContact O-CG1 3.48Å; T95-I99 PolarHBondContact O-N 3.11Å
96	L	86.4	Confident	82.2	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-59	-50.1	176.1	176.6	59.9	0	0	0	111.9	L62 A65 L66 L75 V83 R92 V93 S98 I99 L100	L62-L96 HydrophobicContact CD1-CB 4.38Å; L62-L96 HydrophobicContact CD1-CD2 3.42Å; L62-L96 VanDerWaalsContact CD1-CD2 3.42Å; A65-L96 HydrophobicContact CB-CD2 4.28Å; L66-L96 HydrophobicContact CD2-CD1 3.81Å; L66-L96 HydrophobicContact CD2-CD2 4.26Å; L66-L96 HydrophobicContact CG-CD2 4.48Å; L75-L96 HydrophobicContact CD1-CD1 3.35Å; V83-L96 HydrophobicContact CG1-CB 4.13Å; V83-L96 HydrophobicContact CG2-CB 4.08Å; R92-L96 PolarHBondContact O-N 3.16Å; V93-L96 PolarHBondContact O-N 3.33Å; L96-S98 VanDerWaalsContact C-N 3.31Å; L96-S98 PolarHBondContact O-N 2.78Å; L96-I99 PolarHBondContact O-N 2.92Å; L96-L100 HydrophobicContact CD1-CD1 3.69Å; L96-L100 HydrophobicContact CD1-CG 4.06Å; L96-L100 HydrophobicContact CG-CD1 3.87Å; L96-L100 WeakPolarHBondContact O-CG 3.44Å; L96-L100 PolarHBondContact O-N 2.84Å
97	T	86.6	Confident	82.6	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.006	31%	0.309	C	S	.	.	H	α-helix	trans	-64.7	-35.2	-179.9	49.2	0	0	0	0	112.1	I46 L53 V93 G94 A101 L111	I46-T97 HydrophobicContact CG2-CG2 4.07Å; I46-T97 WeakPolarHBondContact CG2-O 3.16Å; L53-T97 HydrophobicContact CB-CG2 3.95Å; L53-T97 HydrophobicContact CD1-CG2 3.8Å; L53-T97 HydrophobicContact CG-CG2 4.43Å; V93-T97 HydrophobicContact CG1-CG2 4.23Å; V93-T97 WeakPolarHBondContact O-CB 3.35Å; V93-T97 WeakPolarHBondContact O-CG2 3.48Å; V93-T97 PolarHBondContact O-N 3.22Å; V93-T97 PolarHBondContact O-OG1 3.36Å; G94-T97 WeakPolarHBondContact CA-OG1 3.37Å; G94-T97 PolarHBondContact O-OG1 3.03Å; T97-A101 WeakPolarHBondContact O-CB 3.3Å; T97-A101 PolarHBondContact O-N 3Å; T97-L111 HydrophobicContact CG2-CD2 4.35Å
98	S	85.9	Confident	83	Confident	73 Å²	73	50.3 Å²	50.3	51%	0.51	28%	0.275	S	S	.	.	H	α-helix	trans	-65.4	-42.2	174.3	-173.6	0	0	0	0	112.6	G94 T95 L96 S102	G94-S98 VanDerWaalsContact O-CB 3.32Å; G94-S98 WeakPolarHBondContact O-CB 3.19Å; G94-S98 PolarHBondContact O-N 3.43Å; T95-S98 PolarHBondContact O-N 2.78Å; L96-S98 VanDerWaalsContact C-N 3.31Å; L96-S98 PolarHBondContact O-N 2.78Å; S98-S102 PolarHBondContact O-N 3.26Å
99	I	85.9	Confident	83.2	Confident	17 Å²	17	48.8 Å²	48.8	9%	0.087	27%	0.27	C	S	.	.	H	α-helix	trans	-63.6	-50.1	177.3	-67.8	163.5	0	0	0	109.4	E79 V83 T95 L96 A101 S102 M103	E79-I99 HydrophobicContact CB-CD1 4.16Å; E79-I99 HydrophobicContact CG-CD1 4.38Å; V83-I99 HydrophobicContact CG2-CD1 3.85Å; T95-I99 HydrophobicContact CG2-CD1 4.06Å; T95-I99 VanDerWaalsContact O-CG1 3.3Å; T95-I99 WeakPolarHBondContact O-CG1 3.48Å; T95-I99 PolarHBondContact O-N 3.11Å; L96-I99 PolarHBondContact O-N 2.92Å; I99-A101 PolarHBondContact O-N 3.2Å; I99-S102 WeakPolarHBondContact O-CB 3.49Å; I99-S102 PolarHBondContact O-N 3.32Å; I99-S102 VanDerWaalsContact O-N 3.14Å; I99-S102 PolarHBondContact O-OG 3.24Å; I99-M103 HydrophobicContact CG2-CE 4.21Å
100	L	85.1	Confident	83.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.5	-33.9	-178.9	-66.1	173.5	0	0	0	113.1	I46 M69 L74 L75 L96 S102 M103 L111	I46-L100 HydrophobicContact CD1-CB 3.52Å; I46-L100 HydrophobicContact CD1-CD1 4.42Å; M69-L100 HydrophobicContact CG-CD1 4.15Å; M69-L100 HydrophobicContact CG-CD2 4.15Å; M69-L100 HydrophobicContact SD-CD1 4.37Å; M69-L100 HydrophobicContact SD-CD2 4.18Å; L74-L100 HydrophobicContact CB-CD2 4.48Å; L75-L100 HydrophobicContact CD1-CD2 4.19Å; L96-L100 HydrophobicContact CD1-CD1 3.69Å; L96-L100 HydrophobicContact CD1-CG 4.06Å; L96-L100 HydrophobicContact CG-CD1 3.87Å; L96-L100 WeakPolarHBondContact O-CG 3.44Å; L96-L100 PolarHBondContact O-N 2.84Å; L100-S102 VanDerWaalsContact C-N 3.26Å; L100-S102 PolarHBondContact O-N 3.49Å; L100-M103 CarbonylContact O-C 3.51Å; L100-M103 PolarHBondContact O-N 3.36Å; L100-M103 VanDerWaalsContact O-N 3.11Å; L100-L111 HydrophobicContact CD1-CB 4.18Å; L100-L111 HydrophobicContact CD1-CD1 4.23Å; L100-L111 HydrophobicContact CD1-CD2 4.06Å; L100-L111 HydrophobicContact CD1-CG 4.39Å
101	A	83.5	Confident	83.5	Confident	19 Å²	19	41.5 Å²	41.5	16%	0.157	24%	0.237	C	C	.	.	H	α-helix	trans	-67.3	-25.3	174.4	0	0	0	0	0	112.8	I46 Q47 T97 I99 M103 D104	I46-A101 HydrophobicContact CB-CB 4.4Å; I46-A101 HydrophobicContact CG2-CB 4Å; Q47-A101 HydrophobicContact CG-CB 4.29Å; T97-A101 WeakPolarHBondContact O-CB 3.3Å; T97-A101 PolarHBondContact O-N 3Å; I99-A101 PolarHBondContact O-N 3.2Å; A101-M103 PolarHBondContact O-N 3.47Å; A101-D104 WeakPolarHBondContact O-CB 3.22Å
102	S	82.2	Confident	83.7	Confident	96 Å²	96	38.2 Å²	38.2	67%	0.671	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-14.9	172.8	78.1	0	0	0	0	113.3	S98 I99 L100	S98-S102 PolarHBondContact O-N 3.26Å; I99-S102 WeakPolarHBondContact O-CB 3.49Å; I99-S102 PolarHBondContact O-N 3.32Å; I99-S102 VanDerWaalsContact O-N 3.14Å; I99-S102 PolarHBondContact O-OG 3.24Å; L100-S102 VanDerWaalsContact C-N 3.26Å; L100-S102 PolarHBondContact O-N 3.49Å
103	M	82.4	Confident	83.5	Confident	63 Å²	63	38.2 Å²	38.2	31%	0.31	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	23.6	-179.8	-55	-175.4	-173.4	0	0	112.1	I99 L100 A101 Q106 G107	I99-M103 HydrophobicContact CG2-CE 4.21Å; L100-M103 CarbonylContact O-C 3.51Å; L100-M103 PolarHBondContact O-N 3.36Å; L100-M103 VanDerWaalsContact O-N 3.11Å; A101-M103 PolarHBondContact O-N 3.47Å; M103-Q106 PolarHBondContact O-N 3.48Å; M103-G107 PolarHBondContact O-N 3.23Å
104	D	75.9	Confident	83.6	Confident	70 Å²	70	39.1 Å²	39.1	37%	0.374	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	138.9	-179.1	-152.8	48.6	0	0	0	111.5	G44 A101 S108	G44-D104 WeakPolarHBondContact CA-OD2 3.22Å; A101-D104 WeakPolarHBondContact O-CB 3.22Å; D104-S108 WeakPolarHBondContact OD1-CB 3.32Å; D104-S108 PolarHBondContact OD1-OG 3.3Å
105	P	75.3	Confident	83.6	Confident	87 Å²	87	38.5 Å²	38.5	57%	0.565	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	cis	-86.1	-8	6.7	33.9	-35	0	0	0	115.1	S108 N109	P105-S108 PolarHBondContact O-N 3.45Å; P105-N109 WeakPolarHBondContact O-CB 3.19Å; P105-N109 PolarHBondContact O-N 3.4Å; P105-N109 PolarHBondContact O-ND2 3.38Å
106	Q	81.9	Confident	83.5	Confident	134 Å²	134	40.6 Å²	40.6	63%	0.626	24%	0.235	S	C	*	.	H	α-helix	trans	-68.4	-41.6	-171	-166.8	175.3	-8.5	0	0	112.3	L74 M103 A110	L74-Q106 HydrophobicContact CD2-CG 4.03Å; M103-Q106 PolarHBondContact O-N 3.48Å; Q106-A110 WeakPolarHBondContact O-CB 3.41Å; Q106-A110 PolarHBondContact O-N 3.02Å
107	G	82.3	Confident	83.3	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.5	-42.2	175.1	0	0	0	0	0	113	M103 L111	M103-G107 PolarHBondContact O-N 3.23Å; G107-L111 PolarHBondContact O-N 2.86Å; G107-L111 VanDerWaalsContact O-N 3.11Å
108	S	83.8	Confident	83	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-49.4	174.2	-75.4	0	0	0	0	112.7	I46 D104 P105 A110 L111 Q112	I46-S108 WeakPolarHBondContact CG1-OG 3.32Å; I46-S108 PolarHBondContact N-OG 3.17Å; D104-S108 WeakPolarHBondContact OD1-CB 3.32Å; D104-S108 PolarHBondContact OD1-OG 3.3Å; P105-S108 PolarHBondContact O-N 3.45Å; S108-A110 VanDerWaalsContact C-N 3.3Å; S108-A110 PolarHBondContact O-N 3.15Å; S108-L111 PolarHBondContact O-N 3.38Å; S108-Q112 WeakPolarHBondContact O-CB 3.37Å; S108-Q112 PolarHBondContact O-N 3.09Å
109	N	83.8	Confident	82.5	Confident	92 Å²	92	49.3 Å²	49.3	49%	0.492	28%	0.28	S	S	.	.	H	α-helix	trans	-61.6	-39	-179.4	-70.7	-19.2	0	0	0	112.1	P105 A113	P105-N109 WeakPolarHBondContact O-CB 3.19Å; P105-N109 PolarHBondContact O-N 3.4Å; P105-N109 PolarHBondContact O-ND2 3.38Å; N109-A113 VanDerWaalsContact O-CB 3.28Å; N109-A113 WeakPolarHBondContact O-CB 3.44Å; N109-A113 PolarHBondContact O-N 3.11Å
110	A	84.1	Confident	81.8	Confident	12 Å²	12	51.9 Å²	51.9	10%	0.099	30%	0.3	C	S	.	.	H	α-helix	trans	-67.2	-45.7	178.5	0	0	0	0	0	112.1	M69 L72 L74 Q106 S108 Q112 F114	M69-A110 HydrophobicContact CE-CB 4.29Å; M69-A110 HydrophobicContact SD-CB 3.79Å; L72-A110 HydrophobicContact CD1-CB 3.93Å; L74-A110 HydrophobicContact CD1-CB 3.24Å; Q106-A110 WeakPolarHBondContact O-CB 3.41Å; Q106-A110 PolarHBondContact O-N 3.02Å; S108-A110 VanDerWaalsContact C-N 3.3Å; S108-A110 PolarHBondContact O-N 3.15Å; A110-Q112 VanDerWaalsContact C-N 3.34Å; A110-F114 WeakPolarHBondContact O-CB 3.42Å; A110-F114 PolarHBondContact O-N 3.43Å
111	L	84.6	Confident	81	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-65.2	-40.7	177	-171.5	63	0	0	0	111.5	W45 I46 L53 A65 M69 T97 L100 G107 S108 F114 L115	W45-L111 HydrophobicContact CZ3-CD2 4.35Å; W45-L111 HydrophobicContact CZ3-CG 4.44Å; I46-L111 HydrophobicContact CD1-CB 4.18Å; I46-L111 HydrophobicContact CD1-CD2 3.76Å; I46-L111 HydrophobicContact CG1-CD2 3.98Å; L53-L111 HydrophobicContact CD1-CD2 4.26Å; L53-L111 HydrophobicContact CD2-CD2 4.26Å; A65-L111 HydrophobicContact CB-CD1 4.25Å; M69-L111 HydrophobicContact CE-CB 4.31Å; M69-L111 HydrophobicContact CE-CD1 4.08Å; T97-L111 HydrophobicContact CG2-CD2 4.35Å; L100-L111 HydrophobicContact CD1-CB 4.18Å; L100-L111 HydrophobicContact CD1-CD1 4.23Å; L100-L111 HydrophobicContact CD1-CD2 4.06Å; L100-L111 HydrophobicContact CD1-CG 4.39Å; G107-L111 PolarHBondContact O-N 2.86Å; G107-L111 VanDerWaalsContact O-N 3.11Å; S108-L111 PolarHBondContact O-N 3.38Å; L111-F114 PolarHBondContact O-N 3.12Å; L111-L115 HydrophobicContact CD1-CD1 4.47Å; L111-L115 HydrophobicContact CG-CD1 4.08Å; L111-L115 WeakPolarHBondContact O-CB 3.5Å; L111-L115 VanDerWaalsContact O-CG 3.26Å; L111-L115 WeakPolarHBondContact O-CG 3.43Å; L111-L115 PolarHBondContact O-N 2.94Å
112	Q	85.4	Confident	80.5	Confident	43 Å²	43	57.8 Å²	57.8	20%	0.201	33%	0.325	C	S	.	.	H	α-helix	trans	-60.5	-51.6	176.7	-164.8	-178.5	-4.6	0	0	111.4	W45 S108 A110 F114 L115 E116 Y123	W45-Q112 HydrophobicContact CD2-CB 4.31Å; W45-Q112 HydrophobicContact CD2-CG 4.19Å; W45-Q112 HydrophobicContact CE3-CB 4.26Å; W45-Q112 HydrophobicContact CZ2-CG 4.09Å; W45-Q112 HydrophobicContact CZ3-CB 4.37Å; S108-Q112 WeakPolarHBondContact O-CB 3.37Å; S108-Q112 PolarHBondContact O-N 3.09Å; A110-Q112 VanDerWaalsContact C-N 3.34Å; Q112-F114 VanDerWaalsContact C-N 3.31Å; Q112-F114 PolarHBondContact O-N 3.41Å; Q112-L115 PolarHBondContact O-N 2.9Å; Q112-E116 WeakPolarHBondContact O-CB 3.26Å; Q112-E116 WeakPolarHBondContact O-CG 3.45Å; Q112-E116 PolarHBondContact O-N 3.41Å; Q112-Y123 HydrophobicContact CG-CE2 3.59Å; Q112-Y123 PolarHBondContact NE2-OH 3.35Å
113	A	83.6	Confident	80.2	Confident	39 Å²	39	54.8 Å²	54.8	32%	0.322	30%	0.299	S	S	.	.	H	α-helix	trans	-63.9	-34.8	178.9	0	0	0	0	0	112.7	N109 N117	N109-A113 VanDerWaalsContact O-CB 3.28Å; N109-A113 WeakPolarHBondContact O-CB 3.44Å; N109-A113 PolarHBondContact O-N 3.11Å; A113-N117 WeakPolarHBondContact O-CB 3.31Å; A113-N117 PolarHBondContact O-N 3.06Å; A113-N117 PolarHBondContact O-ND2 3.05Å
114	F	87.4	Confident	79.7	Confident	18 Å²	18	60.2 Å²	60.2	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-63.6	-48.8	173.5	172.5	-99.7	0	0	0	111.3	L61 A65 H68 M69 A110 L111 Q112 N117 S118	L61-F114 HydrophobicContact CD2-CE1 4.33Å; A65-F114 HydrophobicContact CB-CD1 3.84Å; A65-F114 HydrophobicContact CB-CE1 3.58Å; A65-F114 HydrophobicContact CB-CZ 4.23Å; A65-F114 VanDerWaalsContact N-CZ 3.25Å; H68-F114 HydrophobicContact CB-CD2 3.48Å; H68-F114 VanDerWaalsContact CB-CD2 3.48Å; H68-F114 HydrophobicContact CB-CE2 3.76Å; H68-F114 HydrophobicContact CB-CG 4.26Å; H68-F114 AromaticContact CD2-CD2 3.69Å; H68-F114 AromaticContact CG-CD2 3.43Å; H68-F114 VanDerWaalsContact CG-CD2 3.43Å; H68-F114 AromaticContact ND1-CD2 3.94Å; M69-F114 HydrophobicContact CE-CB 3.88Å; M69-F114 HydrophobicContact CE-CG 4.37Å; A110-F114 WeakPolarHBondContact O-CB 3.42Å; A110-F114 PolarHBondContact O-N 3.43Å; L111-F114 PolarHBondContact O-N 3.12Å; Q112-F114 VanDerWaalsContact C-N 3.31Å; Q112-F114 PolarHBondContact O-N 3.41Å; F114-N117 PolarHBondContact O-N 3.33Å; F114-S118 WeakPolarHBondContact CD2-OG 3.45Å; F114-S118 WeakPolarHBondContact CE2-OG 3.32Å; F114-S118 WeakPolarHBondContact CZ-OG 3.43Å; F114-S118 WeakPolarHBondContact O-CB 3.21Å; F114-S118 PolarHBondContact O-N 3.09Å; F114-S118 PolarHBondContact O-OG 3.03Å
115	L	84.5	Confident	79.6	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-64.4	-43.4	-179	-70.5	169.5	0	0	0	111.3	W45 L53 L61 L111 Q112 N117 S118 D119 Y123 I126	W45-L115 HydrophobicContact CH2-CD1 3.72Å; W45-L115 HydrophobicContact CZ3-CD1 4.27Å; L53-L115 HydrophobicContact CD2-CD1 3.78Å; L61-L115 HydrophobicContact CD2-CD2 3.31Å; L111-L115 HydrophobicContact CD1-CD1 4.47Å; L111-L115 HydrophobicContact CG-CD1 4.08Å; L111-L115 WeakPolarHBondContact O-CB 3.5Å; L111-L115 VanDerWaalsContact O-CG 3.26Å; L111-L115 WeakPolarHBondContact O-CG 3.43Å; L111-L115 PolarHBondContact O-N 2.94Å; Q112-L115 PolarHBondContact O-N 2.9Å; L115-N117 VanDerWaalsContact C-N 3.3Å; L115-N117 PolarHBondContact O-N 3.33Å; L115-S118 PolarHBondContact O-N 3.03Å; L115-D119 CarbonylContact O-C 3.58Å; L115-D119 VanDerWaalsContact O-C 3.27Å; L115-D119 PolarHBondContact O-N 2.94Å; L115-D119 VanDerWaalsContact O-O 3.14Å; L115-Y123 HydrophobicContact CB-CD2 3.89Å; L115-Y123 HydrophobicContact CB-CG 4.44Å; L115-I126 HydrophobicContact CD1-CD1 4.2Å
116	E	83.1	Confident	79.6	Confident	83 Å²	83	53 Å²	53	39%	0.388	27%	0.273	S	S	.	.	H	α-helix	trans	-55.4	-42.6	176.2	-82.2	-178.9	172.5	0	0	113	Q112 Y123	Q112-E116 WeakPolarHBondContact O-CB 3.26Å; Q112-E116 WeakPolarHBondContact O-CG 3.45Å; Q112-E116 PolarHBondContact O-N 3.41Å; E116-Y123 HydrophobicContact CB-CD1 4.4Å; E116-Y123 HydrophobicContact CB-CG 4.41Å; E116-Y123 HydrophobicContact CG-CD1 3.38Å; E116-Y123 HydrophobicContact CG-CD2 3.77Å; E116-Y123 HydrophobicContact CG-CE1 3.22Å; E116-Y123 HydrophobicContact CG-CE2 3.67Å; E116-Y123 HydrophobicContact CG-CG 3.61Å; E116-Y123 WeakPolarHBondContact OE1-CE1 3.46Å; E116-Y123 PolarHBondContact OE1-OH 3.23Å
117	N	81.9	Confident	79.3	Confident	140 Å²	140	47.9 Å²	47.9	75%	0.749	25%	0.25	S	S	*	.	H	α-helix	trans	-86.8	-30.6	-175.5	-71.6	-52.3	0	0	0	113.7	A113 F114 L115	A113-N117 WeakPolarHBondContact O-CB 3.31Å; A113-N117 PolarHBondContact O-N 3.06Å; A113-N117 PolarHBondContact O-ND2 3.05Å; F114-N117 PolarHBondContact O-N 3.33Å; L115-N117 VanDerWaalsContact C-N 3.3Å; L115-N117 PolarHBondContact O-N 3.33Å
118	S	80.3	Confident	78.9	Confident	68 Å²	68	52.2 Å²	52.2	48%	0.476	27%	0.272	S	S	.	.	H	α-helix	trans	-88.5	-39.5	-173.4	-51.9	0	0	0	0	112.3	F114 L115	F114-S118 WeakPolarHBondContact CD2-OG 3.45Å; F114-S118 WeakPolarHBondContact CE2-OG 3.32Å; F114-S118 WeakPolarHBondContact CZ-OG 3.43Å; F114-S118 WeakPolarHBondContact O-CB 3.21Å; F114-S118 PolarHBondContact O-N 3.09Å; F114-S118 PolarHBondContact O-OG 3.03Å; L115-S118 PolarHBondContact O-N 3.03Å
119	D	75.1	Confident	78.6	Confident	49 Å²	49	52.6 Å²	52.6	26%	0.262	27%	0.273	S	S	.	.			trans	-150.5	84.7	178.4	-168.7	-26.2	0	0	0	110.1	L61 L115 Q121 M122 Y123	L61-D119 HydrophobicContact CD1-CB 4.02Å; L115-D119 CarbonylContact O-C 3.58Å; L115-D119 VanDerWaalsContact O-C 3.27Å; L115-D119 PolarHBondContact O-N 2.94Å; L115-D119 VanDerWaalsContact O-O 3.14Å; D119-Q121 PolarHBondContact O-N 3.47Å; D119-Q121 VanDerWaalsContact O-N 3.16Å; D119-Q121 PolarHBondContact OD1-N 3.09Å; D119-Q121 VanDerWaalsContact OD1-N 3.16Å; D119-M122 HydrophobicContact CB-CB 3.99Å; D119-M122 HydrophobicContact CB-CG 4.35Å; D119-M122 PolarHBondContact O-N 3.21Å; D119-M122 VanDerWaalsContact O-N 3.15Å; D119-M122 PolarHBondContact OD1-N 3Å; D119-M122 WeakPolarHBondContact OD2-CG 3.33Å; D119-Y123 PolarHBondContact O-N 2.81Å
120	S	71.1	Confident	78.3	Confident	71 Å²	71	52.1 Å²	52.1	50%	0.497	27%	0.271	S	S	.	.	H	α-helix	trans	-59.7	-24	-179.7	66.2	0	0	0	0	113.8	R124	S120-R124 WeakPolarHBondContact O-CB 3.44Å; S120-R124 VanDerWaalsContact O-CG 3.26Å; S120-R124 WeakPolarHBondContact O-CG 2.99Å; S120-R124 PolarHBondContact O-N 2.92Å
121	Q	68.7	Low	78.2	Confident	118 Å²	118	54.9 Å²	54.9	55%	0.551	29%	0.287	S	S	*	.	H	α-helix	trans	-75.7	-46.4	174.9	-74.4	-170.1	-49.4	0	0	110.9	D119 R124 L125	D119-Q121 PolarHBondContact O-N 3.47Å; D119-Q121 VanDerWaalsContact O-N 3.16Å; D119-Q121 PolarHBondContact OD1-N 3.09Å; D119-Q121 VanDerWaalsContact OD1-N 3.16Å; Q121-R124 PolarHBondContact O-N 3.49Å; Q121-L125 WeakPolarHBondContact O-CB 3.39Å; Q121-L125 PolarHBondContact O-N 3Å
122	M	72.9	Confident	78.1	Confident	26 Å²	26	55.3 Å²	55.3	13%	0.128	29%	0.29	C	S	.	.	H	α-helix	trans	-64.8	-38.5	175.3	-76.2	-65.8	95.7	0	0	113.1	L61 D119 L125 I126	L61-M122 HydrophobicContact CD1-CG 4.3Å; D119-M122 HydrophobicContact CB-CB 3.99Å; D119-M122 HydrophobicContact CB-CG 4.35Å; D119-M122 PolarHBondContact O-N 3.21Å; D119-M122 VanDerWaalsContact O-N 3.15Å; D119-M122 PolarHBondContact OD1-N 3Å; D119-M122 WeakPolarHBondContact OD2-CG 3.33Å; M122-L125 HydrophobicContact CE-CB 4.02Å; M122-L125 HydrophobicContact CE-CD1 3.95Å; M122-L125 HydrophobicContact CE-CD2 4.1Å; M122-L125 HydrophobicContact CE-CG 4.26Å; M122-L125 WeakPolarHBondContact O-CB 3.47Å; M122-L125 PolarHBondContact O-N 2.66Å; M122-L125 HydrophobicContact SD-CD2 4.49Å; M122-I126 WeakPolarHBondContact O-CD1 3.29Å; M122-I126 WeakPolarHBondContact O-CG1 3.16Å; M122-I126 PolarHBondContact O-N 3.09Å
123	Y	76.7	Confident	78	Confident	33 Å²	33	53.8 Å²	53.8	13%	0.129	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-46.9	173.5	174.8	-105.6	0	0	0	112.4	W45 Q112 L115 E116 D119 L125 I126 T127	W45-Y123 HydrophobicContact CH2-CE2 4.43Å; W45-Y123 HydrophobicContact CZ2-CD2 4.25Å; W45-Y123 AromaticContact CZ2-CE2 3.71Å; W45-Y123 HydrophobicContact CZ2-CE2 3.71Å; Q112-Y123 HydrophobicContact CG-CE2 3.59Å; Q112-Y123 PolarHBondContact NE2-OH 3.35Å; L115-Y123 HydrophobicContact CB-CD2 3.89Å; L115-Y123 HydrophobicContact CB-CG 4.44Å; E116-Y123 HydrophobicContact CB-CD1 4.4Å; E116-Y123 HydrophobicContact CB-CG 4.41Å; E116-Y123 HydrophobicContact CG-CD1 3.38Å; E116-Y123 HydrophobicContact CG-CD2 3.77Å; E116-Y123 HydrophobicContact CG-CE1 3.22Å; E116-Y123 HydrophobicContact CG-CE2 3.67Å; E116-Y123 HydrophobicContact CG-CG 3.61Å; E116-Y123 WeakPolarHBondContact OE1-CE1 3.46Å; E116-Y123 PolarHBondContact OE1-OH 3.23Å; D119-Y123 PolarHBondContact O-N 2.81Å; Y123-L125 VanDerWaalsContact C-N 3.28Å; Y123-L125 PolarHBondContact O-N 3Å; Y123-I126 PolarHBondContact O-N 2.65Å; Y123-T127 HydrophobicContact CD2-CG2 4.28Å; Y123-T127 HydrophobicContact CE1-CG2 4.35Å; Y123-T127 HydrophobicContact CE2-CG2 3.7Å; Y123-T127 WeakPolarHBondContact O-CG2 3.44Å; Y123-T127 PolarHBondContact O-N 2.84Å; Y123-T127 VanDerWaalsContact O-N 3.11Å; Y123-T127 PolarHBondContact O-OG1 3.3Å
124	R	71.6	Confident	78.1	Confident	176 Å²	176	56.2 Å²	56.2	66%	0.664	29%	0.288	S	S	*	.	H	α-helix	trans	-62.2	-37.4	174.6	-78	178.9	-179.3	-166.8	1.7	111.8	S120 Q121 T127 M128	S120-R124 WeakPolarHBondContact O-CB 3.44Å; S120-R124 VanDerWaalsContact O-CG 3.26Å; S120-R124 WeakPolarHBondContact O-CG 2.99Å; S120-R124 PolarHBondContact O-N 2.92Å; Q121-R124 PolarHBondContact O-N 3.49Å; R124-T127 WeakPolarHBondContact CA-OG1 3.44Å; R124-T127 PolarHBondContact O-N 3.09Å; R124-T127 PolarHBondContact O-OG1 3.38Å; R124-M128 WeakPolarHBondContact O-CA 3.48Å; R124-M128 WeakPolarHBondContact O-CB 3.3Å; R124-M128 WeakPolarHBondContact O-CG 3.42Å; R124-M128 PolarHBondContact O-N 2.85Å
125	L	73.4	Confident	78	Confident	5 Å²	5	59.6 Å²	59.6	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-47	177.2	-167.1	122.8	0	0	0	111.5	F56 Q121 M122 Y123 T127 H129 L283	F56-L125 HydrophobicContact CB-CD2 3.79Å; F56-L125 HydrophobicContact CD1-CD2 3.24Å; F56-L125 HydrophobicContact CD2-CD2 3.41Å; F56-L125 VanDerWaalsContact CD2-CD2 3.41Å; F56-L125 HydrophobicContact CE1-CD2 3.5Å; F56-L125 HydrophobicContact CE2-CD2 3.65Å; F56-L125 HydrophobicContact CG-CD2 3.18Å; F56-L125 HydrophobicContact CZ-CD2 3.69Å; Q121-L125 WeakPolarHBondContact O-CB 3.39Å; Q121-L125 PolarHBondContact O-N 3Å; M122-L125 HydrophobicContact CE-CB 4.02Å; M122-L125 HydrophobicContact CE-CD1 3.95Å; M122-L125 HydrophobicContact CE-CD2 4.1Å; M122-L125 HydrophobicContact CE-CG 4.26Å; M122-L125 WeakPolarHBondContact O-CB 3.47Å; M122-L125 PolarHBondContact O-N 2.66Å; M122-L125 HydrophobicContact SD-CD2 4.49Å; Y123-L125 VanDerWaalsContact C-N 3.28Å; Y123-L125 PolarHBondContact O-N 3Å; L125-T127 VanDerWaalsContact C-N 3.3Å; L125-T127 PolarHBondContact O-N 3.06Å; L125-H129 WeakPolarHBondContact O-CB 3.43Å; L125-H129 PolarHBondContact O-N 2.87Å; L125-L283 HydrophobicContact CD1-CB 4.41Å; L125-L283 HydrophobicContact CD1-CD1 3.81Å; L125-L283 HydrophobicContact CD1-CD2 3.24Å; L125-L283 HydrophobicContact CD1-CG 3.96Å
126	I	75.8	Confident	78.2	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-62.4	-37.8	179.4	-69.6	159.5	0	0	0	111.9	W45 H49 H52 L53 F56 I57 L115 M122 Y123	W45-I126 HydrophobicContact CH2-CG2 4.3Å; W45-I126 HydrophobicContact CZ2-CG2 4.29Å; H49-I126 HydrophobicContact CB-CG2 3.95Å; H49-I126 PolarHBondContact ND1-O 2.84Å; H52-I126 HydrophobicContact CB-CG2 4.04Å; H52-I126 PolarHBondContact ND1-O 3.25Å; L53-I126 HydrophobicContact CD2-CD1 4.04Å; L53-I126 HydrophobicContact CD2-CG2 4.1Å; L53-I126 HydrophobicContact CG-CG2 4.26Å; F56-I126 HydrophobicContact CB-CG1 4.22Å; F56-I126 HydrophobicContact CD2-CG1 4.36Å; I57-I126 HydrophobicContact CG1-CD1 4.48Å; L115-I126 HydrophobicContact CD1-CD1 4.2Å; M122-I126 WeakPolarHBondContact O-CD1 3.29Å; M122-I126 WeakPolarHBondContact O-CG1 3.16Å; M122-I126 PolarHBondContact O-N 3.09Å; Y123-I126 PolarHBondContact O-N 2.65Å
127	T	76	Confident	78.5	Confident	26 Å²	26	57.5 Å²	57.5	16%	0.16	29%	0.294	C	S	.	.	H	α-helix	trans	-86.4	-38.8	-175.4	49.7	0	0	0	0	114	W45 Y123 R124 L125	W45-T127 HydrophobicContact CZ2-CG2 3.9Å; Y123-T127 HydrophobicContact CD2-CG2 4.28Å; Y123-T127 HydrophobicContact CE1-CG2 4.35Å; Y123-T127 HydrophobicContact CE2-CG2 3.7Å; Y123-T127 WeakPolarHBondContact O-CG2 3.44Å; Y123-T127 PolarHBondContact O-N 2.84Å; Y123-T127 VanDerWaalsContact O-N 3.11Å; Y123-T127 PolarHBondContact O-OG1 3.3Å; R124-T127 WeakPolarHBondContact CA-OG1 3.44Å; R124-T127 PolarHBondContact O-N 3.09Å; R124-T127 PolarHBondContact O-OG1 3.38Å; L125-T127 VanDerWaalsContact C-N 3.3Å; L125-T127 PolarHBondContact O-N 3.06Å
128	M	73.4	Confident	78.9	Confident	91 Å²	91	55.7 Å²	55.7	45%	0.448	28%	0.281	S	S	.	.	H	α-helix	trans	-98.9	-10.1	-173.9	-59.3	-65.7	-67.8	0	0	113.8	R124 D130 P131 M132	R124-M128 WeakPolarHBondContact O-CA 3.48Å; R124-M128 WeakPolarHBondContact O-CB 3.3Å; R124-M128 WeakPolarHBondContact O-CG 3.42Å; R124-M128 PolarHBondContact O-N 2.85Å; M128-D130 PolarHBondContact O-N 3.35Å; M128-P131 WeakPolarHBondContact O-CD 3.45Å; M128-M132 HydrophobicContact CB-CG 4.39Å; M128-M132 HydrophobicContact CB-SD 4.08Å; M128-M132 VanDerWaalsContact O-CB 3.29Å; M128-M132 WeakPolarHBondContact O-CB 3.17Å; M128-M132 WeakPolarHBondContact O-CG 3.39Å; M128-M132 PolarHBondContact O-N 3.38Å
129	H	78.1	Confident	79.2	Confident	12 Å²	12	54.5 Å²	54.5	6%	0.056	28%	0.275	C	S	.	.	H	α-helix	trans	-54.5	-55.4	-179.3	172.8	-84.9	0	0	0	112.8	H52 F56 L125 M132 V133 S249	H52-H129 AromaticContact CE1-ND1 3.71Å; H52-H129 AromaticContact NE2-ND1 3.33Å; H52-H129 PolarHBondContact NE2-ND1 2.63Å; F56-H129 HydrophobicContact CE2-CB 4.46Å; F56-H129 AromaticContact CZ-CD2 3.68Å; F56-H129 AromaticContact CZ-NE2 3.92Å; L125-H129 WeakPolarHBondContact O-CB 3.43Å; L125-H129 PolarHBondContact O-N 2.87Å; H129-M132 PolarHBondContact O-N 2.98Å; H129-V133 WeakPolarHBondContact O-CB 3.2Å; H129-V133 VanDerWaalsContact O-CG2 3.3Å; H129-V133 WeakPolarHBondContact O-CG2 3.3Å; H129-V133 PolarHBondContact O-N 3.4Å; H129-S249 WeakPolarHBondContact NE2-CB 3.16Å; H129-S249 PolarHBondContact NE2-OG 3.47Å
130	D	77.3	Confident	79.8	Confident	82 Å²	82	52.2 Å²	52.2	44%	0.439	26%	0.263	S	S	.	.	H	α-helix	trans	-63.5	-47.3	-177.7	-79.9	-10.9	0	0	0	113.3	H52 M128 M132 V133 Q134	H52-D130 IonicContact CE1-OD1 3.09Å; H52-D130 PolarHBondContact CE1-OD1 3.34Å; H52-D130 IonicContact CE1-OD2 3.03Å; H52-D130 PolarHBondContact CE1-OD2 3.11Å; H52-D130 IonicContact NE2-OD1 3.05Å; H52-D130 PolarHBondContact NE2-OD1 3.11Å; H52-D130 IonicContact NE2-OD2 3.53Å; M128-D130 PolarHBondContact O-N 3.35Å; D130-M132 VanDerWaalsContact C-N 3.3Å; D130-M132 PolarHBondContact O-N 2.93Å; D130-V133 PolarHBondContact O-N 3.36Å; D130-Q134 WeakPolarHBondContact O-CB 3.28Å; D130-Q134 PolarHBondContact O-N 3.44Å
131	P	81.2	Confident	80.6	Confident	69 Å²	69	51.6 Å²	51.6	45%	0.448	25%	0.253	S	S	.	.	H	α-helix	trans	-54.4	-44.3	172	-27.1	33.2	0	0	0	113.1	M128 Q134 E135	M128-P131 WeakPolarHBondContact O-CD 3.45Å; P131-Q134 PolarHBondContact O-N 3.31Å; P131-E135 WeakPolarHBondContact O-CB 3.41Å; P131-E135 PolarHBondContact O-N 3.37Å
132	M	81.9	Confident	81.4	Confident	11 Å²	11	53.1 Å²	53.1	5%	0.054	27%	0.265	C	S	.	.	H	α-helix	trans	-67.2	-43.1	179.7	-73.8	175.6	65.4	0	0	112.5	M128 H129 D130 Q134 H136 M278 T279 L283	M128-M132 HydrophobicContact CB-CG 4.39Å; M128-M132 HydrophobicContact CB-SD 4.08Å; M128-M132 VanDerWaalsContact O-CB 3.29Å; M128-M132 WeakPolarHBondContact O-CB 3.17Å; M128-M132 WeakPolarHBondContact O-CG 3.39Å; M128-M132 PolarHBondContact O-N 3.38Å; H129-M132 PolarHBondContact O-N 2.98Å; D130-M132 VanDerWaalsContact C-N 3.3Å; D130-M132 PolarHBondContact O-N 2.93Å; M132-Q134 VanDerWaalsContact C-N 3.31Å; M132-H136 WeakPolarHBondContact O-CB 3.15Å; M132-H136 PolarHBondContact O-N 3.2Å; M132-M278 HydrophobicContact CE-CG 4.24Å; M132-T279 WeakPolarHBondContact CE-OG1 3.45Å; M132-L283 HydrophobicContact CE-CD1 4.11Å; M132-L283 HydrophobicContact SD-CD1 4.5Å
133	V	83.8	Confident	81.7	Confident	11 Å²	11	56.8 Å²	56.8	7%	0.067	28%	0.281	C	S	.	.	H	α-helix	trans	-64.7	-40.4	176.4	171.6	0	0	0	0	109.9	H129 D130 H136 K137 S249 F250	H129-V133 WeakPolarHBondContact O-CB 3.2Å; H129-V133 VanDerWaalsContact O-CG2 3.3Å; H129-V133 WeakPolarHBondContact O-CG2 3.3Å; H129-V133 PolarHBondContact O-N 3.4Å; D130-V133 PolarHBondContact O-N 3.36Å; V133-H136 PolarHBondContact O-N 3.42Å; V133-K137 HydrophobicContact CG1-CD 4.15Å; V133-K137 HydrophobicContact CG1-CG 4.4Å; V133-K137 WeakPolarHBondContact O-CB 3.5Å; V133-K137 VanDerWaalsContact O-CG 3.23Å; V133-K137 WeakPolarHBondContact O-CG 3.39Å; V133-K137 PolarHBondContact O-N 3.45Å; V133-S249 WeakPolarHBondContact CG2-O 3.42Å; V133-F250 HydrophobicContact CG2-CE1 3.98Å; V133-F250 HydrophobicContact CG2-CZ 4.06Å
134	Q	85.7	Confident	81.7	Confident	89 Å²	89	58.1 Å²	58.1	42%	0.416	29%	0.286	S	S	.	.	H	α-helix	trans	-66.9	-43.9	178.5	-173.8	58.4	23.9	0	0	112.1	D130 P131 M132 H136 K137 E138	D130-Q134 WeakPolarHBondContact O-CB 3.28Å; D130-Q134 PolarHBondContact O-N 3.44Å; P131-Q134 PolarHBondContact O-N 3.31Å; M132-Q134 VanDerWaalsContact C-N 3.31Å; Q134-H136 VanDerWaalsContact C-N 3.31Å; Q134-H136 PolarHBondContact O-N 3.1Å; Q134-K137 WeakPolarHBondContact O-CB 3.22Å; Q134-K137 PolarHBondContact O-N 3.35Å; Q134-E138 PolarHBondContact NE2-OE1 3.18Å; Q134-E138 WeakPolarHBondContact O-CG 3.41Å; Q134-E138 PolarHBondContact O-N 3.41Å
135	E	86.3	Confident	81.5	Confident	89 Å²	89	53 Å²	53	42%	0.416	28%	0.276	S	S	.	.	H	α-helix	trans	-58.2	-43.9	172.9	-177	-179.2	-173.4	0	0	111.2	P131 E138 A139 F275	P131-E135 WeakPolarHBondContact O-CB 3.41Å; P131-E135 PolarHBondContact O-N 3.37Å; E135-E138 PolarHBondContact O-N 3.15Å; E135-A139 WeakPolarHBondContact O-CB 3.42Å; E135-A139 PolarHBondContact O-N 3.19Å; E135-F275 HydrophobicContact CG-CE2 4.42Å; E135-F275 HydrophobicContact CG-CZ 4.29Å
136	H	88.6	Confident	80.7	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-64.2	-41.9	176.5	-173.7	58.2	0	0	0	112.5	M132 V133 Q134 E138 A139 L140 W239 V251 F275	M132-H136 WeakPolarHBondContact O-CB 3.15Å; M132-H136 PolarHBondContact O-N 3.2Å; V133-H136 PolarHBondContact O-N 3.42Å; Q134-H136 VanDerWaalsContact C-N 3.31Å; Q134-H136 PolarHBondContact O-N 3.1Å; H136-E138 VanDerWaalsContact C-N 3.34Å; H136-E138 PolarHBondContact O-N 2.77Å; H136-A139 PolarHBondContact O-N 2.89Å; H136-L140 WeakPolarHBondContact NE2-CD1 3.23Å; H136-L140 WeakPolarHBondContact O-CG 3.48Å; H136-L140 PolarHBondContact O-N 2.83Å; H136-W239 AromaticContact CD2-CH2 3.87Å; H136-W239 AromaticContact CD2-CZ3 4Å; H136-V251 PolarHBondContact NE2-O 2.87Å; H136-F275 HydrophobicContact CB-CD1 4.49Å; H136-F275 HydrophobicContact CB-CD2 4.47Å; H136-F275 HydrophobicContact CB-CE1 4.25Å; H136-F275 HydrophobicContact CB-CE2 4.22Å; H136-F275 HydrophobicContact CB-CZ 4.12Å; H136-F275 AromaticContact ND1-CD2 3.5Å; H136-F275 WeakPolarHBondContact ND1-CD2 3.36Å; H136-F275 AromaticContact ND1-CG 3.51Å
137	K	89.6	Confident	79.5	Confident	40 Å²	40	57.1 Å²	57.1	17%	0.174	30%	0.303	C	S	.	.	H	α-helix	trans	-60.7	-43.1	175.1	-74.3	176.5	169.3	-179	0	111.6	V133 Q134 L140 L141 W239 S240	V133-K137 HydrophobicContact CG1-CD 4.15Å; V133-K137 HydrophobicContact CG1-CG 4.4Å; V133-K137 WeakPolarHBondContact O-CB 3.5Å; V133-K137 VanDerWaalsContact O-CG 3.23Å; V133-K137 WeakPolarHBondContact O-CG 3.39Å; V133-K137 PolarHBondContact O-N 3.45Å; Q134-K137 WeakPolarHBondContact O-CB 3.22Å; Q134-K137 PolarHBondContact O-N 3.35Å; K137-L140 PolarHBondContact O-N 3.15Å; K137-L141 VanDerWaalsContact O-CG 3.31Å; K137-L141 WeakPolarHBondContact O-CG 3.19Å; K137-L141 PolarHBondContact O-N 3.17Å; K137-W239 HydrophobicContact CG-CE3 4.36Å; K137-W239 HydrophobicContact CG-CH2 3.89Å; K137-W239 HydrophobicContact CG-CZ3 3.7Å; K137-S240 WeakPolarHBondContact CD-O 3.49Å
138	E	89	Confident	77.8	Confident	102 Å²	102	61 Å²	61	48%	0.477	33%	0.33	S	S	.	.	H	α-helix	trans	-65.5	-43.7	177.4	-73.8	171.5	-165.3	0	0	111.8	Q134 E135 H136 L140 L141 L142	Q134-E138 PolarHBondContact NE2-OE1 3.18Å; Q134-E138 WeakPolarHBondContact O-CG 3.41Å; Q134-E138 PolarHBondContact O-N 3.41Å; E135-E138 PolarHBondContact O-N 3.15Å; H136-E138 VanDerWaalsContact C-N 3.34Å; H136-E138 PolarHBondContact O-N 2.77Å; E138-L140 VanDerWaalsContact C-N 3.35Å; E138-L140 PolarHBondContact O-N 3.36Å; E138-L141 PolarHBondContact O-N 3.38Å; E138-L142 WeakPolarHBondContact O-CG 3.42Å; E138-L142 PolarHBondContact O-N 3.1Å; E138-L142 VanDerWaalsContact O-N 3.08Å
139	A	86.6	Confident	75.9	Confident	42 Å²	42	63.8 Å²	63.8	35%	0.347	34%	0.342	S	S	.	.	H	α-helix	trans	-58.7	-44.7	174.3	0	0	0	0	0	112	E135 H136 L142 Q143	E135-A139 WeakPolarHBondContact O-CB 3.42Å; E135-A139 PolarHBondContact O-N 3.19Å; H136-A139 PolarHBondContact O-N 2.89Å; A139-L142 WeakPolarHBondContact O-CB 3.34Å; A139-L142 PolarHBondContact O-N 2.88Å; A139-Q143 PolarHBondContact O-N 3.22Å; A139-Q143 VanDerWaalsContact O-N 3.1Å
140	L	88.4	Confident	73.9	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.01	37%	0.367	C	S	.	.	H	α-helix	trans	-68.7	-32.8	176.7	-72.4	-179.4	0	0	0	113	H136 K137 E138 L142 Q143 Y144 V236 W239 P253	H136-L140 WeakPolarHBondContact NE2-CD1 3.23Å; H136-L140 WeakPolarHBondContact O-CG 3.48Å; H136-L140 PolarHBondContact O-N 2.83Å; K137-L140 PolarHBondContact O-N 3.15Å; E138-L140 VanDerWaalsContact C-N 3.35Å; E138-L140 PolarHBondContact O-N 3.36Å; L140-L142 VanDerWaalsContact C-N 3.3Å; L140-L142 PolarHBondContact O-N 2.96Å; L140-Q143 PolarHBondContact O-N 3.47Å; L140-Y144 HydrophobicContact CD2-CD2 4.5Å; L140-Y144 HydrophobicContact CD2-CE2 4.29Å; L140-Y144 WeakPolarHBondContact O-CB 3.23Å; L140-Y144 WeakPolarHBondContact O-CD2 3.48Å; L140-Y144 PolarHBondContact O-N 3.43Å; L140-V236 HydrophobicContact CB-CG1 4.08Å; L140-V236 HydrophobicContact CD1-CG1 4.01Å; L140-V236 HydrophobicContact CD2-CG1 4.41Å; L140-V236 HydrophobicContact CG-CG1 4.42Å; L140-W239 HydrophobicContact CD1-CE3 4.36Å; L140-W239 HydrophobicContact CD1-CZ3 3.93Å; L140-P253 HydrophobicContact CD2-CG 3.91Å
141	L	87.7	Confident	71.7	Confident	58 Å²	58	72 Å²	72	30%	0.304	39%	0.392	S	S	.	.	H	α-helix	trans	-66.3	-33.6	174.5	-76.7	167.7	0	0	0	112.2	K137 E138 Y144 R237 R241	K137-L141 VanDerWaalsContact O-CG 3.31Å; K137-L141 WeakPolarHBondContact O-CG 3.19Å; K137-L141 PolarHBondContact O-N 3.17Å; E138-L141 PolarHBondContact O-N 3.38Å; L141-Y144 CarbonylContact O-C 3.59Å; L141-R237 HydrophobicContact CD2-CG 4.22Å; L141-R241 HydrophobicContact CD2-CG 4.4Å
142	L	84.6	Confident	69.5	Low	150 Å²	150	72.9 Å²	72.9	79%	0.785	40%	0.4	S	S	*	.	H	α-helix	trans	-69	-38	172.5	-69.5	168.3	0	0	0	111.9	E138 A139 L140	E138-L142 WeakPolarHBondContact O-CG 3.42Å; E138-L142 PolarHBondContact O-N 3.1Å; E138-L142 VanDerWaalsContact O-N 3.08Å; A139-L142 WeakPolarHBondContact O-CB 3.34Å; A139-L142 PolarHBondContact O-N 2.88Å; L140-L142 VanDerWaalsContact C-N 3.3Å; L140-L142 PolarHBondContact O-N 2.96Å
143	Q	79.6	Confident	67.7	Low	102 Å²	102	76.6 Å²	76.6	48%	0.477	43%	0.425	S	S	.	.	H	α-helix	trans	-74.3	-29.8	177.9	-166.3	177.1	10.9	0	0	112.9	A139 L140 P145	A139-Q143 PolarHBondContact O-N 3.22Å; A139-Q143 VanDerWaalsContact O-N 3.1Å; L140-Q143 PolarHBondContact O-N 3.47Å; Q143-P145 VanDerWaalsContact C-CD 3.42Å; Q143-P145 WeakPolarHBondContact O-CD 3.46Å
144	Y	78.2	Confident	66.2	Low	61 Å²	61	77.7 Å²	77.7	24%	0.239	44%	0.439	C	S	.	.	S	Bend	trans	-120.7	65.7	-179.5	-65.8	-87.4	0	0	0	112.4	L140 L141 V236 R237 P253	L140-Y144 HydrophobicContact CD2-CD2 4.5Å; L140-Y144 HydrophobicContact CD2-CE2 4.29Å; L140-Y144 WeakPolarHBondContact O-CB 3.23Å; L140-Y144 WeakPolarHBondContact O-CD2 3.48Å; L140-Y144 PolarHBondContact O-N 3.43Å; L141-Y144 CarbonylContact O-C 3.59Å; Y144-V236 HydrophobicContact CD2-CB 4.43Å; Y144-V236 HydrophobicContact CD2-CG1 3.69Å; Y144-V236 HydrophobicContact CE2-CG1 4Å; Y144-V236 HydrophobicContact CG-CG1 4.22Å; Y144-R237 PolarHBondContact O-NE 3.47Å; Y144-P253 HydrophobicContact CE2-CG 4.06Å
145	P	65.6	Low	64.4	Low	69 Å²	69	74.9 Å²	74.9	45%	0.448	43%	0.428	S	S	.	.			trans	-65.6	163.9	-171.9	27.6	-35.5	0	0	0	113.4	Q143 R237	Q143-P145 VanDerWaalsContact C-CD 3.42Å; Q143-P145 WeakPolarHBondContact O-CD 3.46Å; P145-R237 PolarHBondContact O-NH2 3.37Å
146	T	58.4	Low	62.8	Low	53 Å²	53	72.3 Å²	72.3	33%	0.325	42%	0.42	S	S	.	.			trans	-71.3	141.1	175.7	19.7	0	0	0	0	112.4	S148	T146-S148 PolarHBondContact O-N 2.93Å
147	P	49.7	Very low	60.9	Low	40 Å²	40	73.4 Å²	73.4	26%	0.26	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-64.9	-12.9	-172.1	22.3	-32.9	0	0	0	116.6	E149 S150 P158	P147-E149 PolarHBondContact O-N 3.22Å; P147-E149 VanDerWaalsContact O-N 3.13Å; P147-S150 PolarHBondContact O-OG 3.19Å; P147-P158 HydrophobicContact CB-CB 4.43Å; P147-P158 HydrophobicContact CB-CG 3.68Å; P147-P158 HydrophobicContact CG-CB 4.01Å; P147-P158 HydrophobicContact CG-CG 3.78Å
148	S	41	Very low	58.9	Low	106 Å²	106	73 Å²	73	74%	0.741	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-68.1	-7.1	-179.8	52.9	0	0	0	0	114.5	T146	T146-S148 PolarHBondContact O-N 2.93Å
149	E	33.3	Very low	56.9	Low	150 Å²	150	73.4 Å²	73.4	70%	0.701	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-104.8	-6.4	-175.7	-68	-179.1	168.2	0	0	114.4	P147	P147-E149 PolarHBondContact O-N 3.22Å; P147-E149 VanDerWaalsContact O-N 3.13Å
150	S	35.6	Very low	55.3	Low	82 Å²	82	72.9 Å²	72.9	57%	0.573	42%	0.421	S	S	*	.			trans	-96.2	110.7	173.5	64.5	0	0	0	0	111.3	P147 S152	P147-S150 PolarHBondContact O-OG 3.19Å; S150-S152 PolarHBondContact O-N 3.33Å
151	L	30.2	Very low	53.4	Low	185 Å²	185	72.9 Å²	72.9	97%	0.969	42%	0.421	S	S	*	.	S	Bend	trans	-67.7	15.3	-174.4	-82.9	147.4	0	0	0	116.3
152	S	36.4	Very low	51	Low	88 Å²	88	74.4 Å²	74.4	62%	0.615	44%	0.436	S	S	*	.	S	Bend	trans	-148.7	130.8	177	40.7	0	0	0	0	112.5	S150 G154	S150-S152 PolarHBondContact O-N 3.33Å; S152-G154 PolarHBondContact O-N 2.97Å
153	P	43.3	Very low	49.4	Very low	88 Å²	88	70.8 Å²	70.8	57%	0.571	42%	0.424	S	S	*	.			trans	-70.6	103.3	-179.8	26.1	-30.7	0	0	0	110.7	W409	P153-W409 PolarHBondContact O-NE1 2.91Å
154	G	52.3	Low	48.5	Very low	35 Å²	35	67.2 Å²	67.2	36%	0.361	41%	0.406	S	S	.	.			trans	-73	172.8	173.2	0	0	0	0	0	113.6	S152 C156	S152-G154 PolarHBondContact O-N 2.97Å; G154-C156 PolarHBondContact O-N 2.86Å
155	P	48.9	Very low	48.5	Very low	29 Å²	29	67.4 Å²	67.4	19%	0.188	41%	0.41	C	S	.	.	S	Bend	trans	-61.5	-11	-173.8	19.3	-30	0	0	0	116.5	W409 I510	P155-W409 HydrophobicContact CB-CB 4.33Å; P155-W409 HydrophobicContact CB-CD2 3.81Å; P155-W409 HydrophobicContact CB-CE3 3.72Å; P155-W409 HydrophobicContact CB-CG 4.13Å; P155-W409 HydrophobicContact CB-CH2 4.47Å; P155-W409 HydrophobicContact CB-CZ3 4.09Å; P155-W409 HydrophobicContact CG-CZ3 4.45Å; P155-I510 HydrophobicContact CG-CD1 4.44Å
156	C	51.1	Low	49.6	Very low	36 Å²	36	64.1 Å²	64.1	24%	0.243	39%	0.389	C	S	.	.	S	Bend	trans	-145.4	85	177.4	-79.2	0	0	0	0	109.5	G154 T230	G154-C156 PolarHBondContact O-N 2.86Å; C156-T230 HydrophobicContact CB-CG2 4.49Å
157	S	49.6	Very low	51	Low	24 Å²	24	62.4 Å²	62.4	17%	0.168	38%	0.378	C	S	.	.			trans	-69.8	133.9	172.8	47.9	0	0	0	0	110.6	E159 F160	S157-E159 PolarHBondContact O-N 3.48Å; S157-F160 PolarHBondContact O-N 3.21Å; S157-F160 WeakPolarHBondContact OG-CD2 3.5Å
158	P	46.6	Very low	52.8	Low	32 Å²	32	62.1 Å²	62.1	21%	0.208	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-70.4	-11.3	-176.1	-16.8	30.7	0	0	0	114.3	P147 F160 S161	P147-P158 HydrophobicContact CB-CB 4.43Å; P147-P158 HydrophobicContact CB-CG 3.68Å; P147-P158 HydrophobicContact CG-CB 4.01Å; P147-P158 HydrophobicContact CG-CG 3.78Å; P158-F160 PolarHBondContact O-N 2.93Å; P158-S161 WeakPolarHBondContact O-CA 3.45Å; P158-S161 VanDerWaalsContact O-CB 3.26Å; P158-S161 WeakPolarHBondContact O-CB 3.39Å; P158-S161 PolarHBondContact O-N 3.07Å
159	E	48.4	Very low	55	Low	109 Å²	109	58 Å²	58	51%	0.509	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-63.6	-25.8	178.2	-65.8	-174.9	178.9	0	0	112.6	S157 S161 H377	S157-E159 PolarHBondContact O-N 3.48Å; E159-S161 VanDerWaalsContact C-N 3.34Å; E159-H377 IonicContact OE2-CE1 4Å; E159-H377 PolarHBondContact OE2-CE1 3.35Å; E159-H377 IonicContact OE2-ND1 2.73Å; E159-H377 IonicContact OE2-NE2 3.69Å; E159-H377 PolarHBondContact OE2-NE2 3.16Å
160	F	52.1	Low	57.1	Low	32 Å²	32	55.3 Å²	55.3	14%	0.14	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-93.8	12.8	172.1	-56	-79.7	0	0	0	113.1	S157 P158 R164 F366 L373 F374 H377	S157-F160 PolarHBondContact O-N 3.21Å; S157-F160 WeakPolarHBondContact OG-CD2 3.5Å; P158-F160 PolarHBondContact O-N 2.93Å; F160-R164 PolarHBondContact O-NE 3.38Å; F160-F366 HydrophobicContact CB-CE1 4.14Å; F160-F366 HydrophobicContact CB-CZ 4.21Å; F160-L373 HydrophobicContact CE1-CB 4.25Å; F160-F374 AromaticContact CD2-CD2 3.96Å; F160-F374 HydrophobicContact CD2-CD2 3.96Å; F160-F374 HydrophobicContact CE1-CB 4.49Å; F160-F374 AromaticContact CE2-CD2 3.87Å; F160-F374 HydrophobicContact CE2-CD2 3.87Å; F160-F374 HydrophobicContact CZ-CB 4.48Å; F160-F374 HydrophobicContact CZ-CD2 4.38Å; F160-H377 HydrophobicContact CE2-CB 4.4Å; F160-H377 HydrophobicContact CZ-CB 3.61Å; F160-H377 AromaticContact CZ-CG 3.76Å
161	S	48	Very low	59.4	Low	1 Å²	1	52.4 Å²	52.4	1%	0.007	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-13.6	179.1	-56.2	0	0	0	0	113.5	P158 E159 S163 R164	P158-S161 WeakPolarHBondContact O-CA 3.45Å; P158-S161 VanDerWaalsContact O-CB 3.26Å; P158-S161 WeakPolarHBondContact O-CB 3.39Å; P158-S161 PolarHBondContact O-N 3.07Å; E159-S161 VanDerWaalsContact C-N 3.34Å; S161-S163 PolarHBondContact O-N 3.29Å; S161-S163 VanDerWaalsContact O-N 3.12Å; S161-R164 PolarHBondContact O-N 3.44Å
162	S	39	Very low	62	Low	90 Å²	90	44.7 Å²	44.7	63%	0.629	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.7	-174.1	65.9	0	0	0	0	114.6
163	S	49.3	Very low	64.3	Low	75 Å²	75	41 Å²	41	52%	0.524	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	9.2	-179.4	63.7	0	0	0	0	114.8	S161 I165	S161-S163 PolarHBondContact O-N 3.29Å; S161-S163 VanDerWaalsContact O-N 3.12Å; S163-I165 PolarHBondContact O-N 3.12Å
164	R	62.5	Low	66.2	Low	27 Å²	27	42.3 Å²	42.3	10%	0.102	25%	0.253	C	S	.	.			trans	-72.4	99.2	-169.7	-73.8	-171.3	-172.7	-148.3	12.2	112.9	F160 S161 I226 L231	F160-R164 PolarHBondContact O-NE 3.38Å; S161-R164 PolarHBondContact O-N 3.44Å; R164-I226 PolarHBondContact NH1-O 2.91Å; R164-L231 HydrophobicContact CB-CD1 4.39Å
165	I	77.1	Confident	67.7	Low	64 Å²	64	41.7 Å²	41.7	33%	0.328	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-72.8	133.3	166.1	-67.3	172.1	0	0	0	108.7	S163 Q198 P364	S163-I165 PolarHBondContact O-N 3.12Å; I165-Q198 HydrophobicContact CG2-CB 3.36Å; I165-Q198 HydrophobicContact CG2-CG 3.54Å; I165-P364 VanDerWaalsContact O-CD 3.24Å; I165-P364 WeakPolarHBondContact O-CD 3.34Å; I165-P364 VanDerWaalsContact O-CG 3.25Å; I165-P364 WeakPolarHBondContact O-CG 3.35Å
166	L	88	Confident	69.5	Low	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	151	170.7	-69.5	175.9	0	0	0	110.3	Q198 L199 L201 L204 T220 L231 T361 I363	L166-Q198 CarbonylContact O-C 3.23Å; L166-L199 HydrophobicContact CB-CB 4.33Å; L166-L199 PolarHBondContact N-O 3.24Å; L166-L199 PolarHBondContact O-N 3.18Å; L166-L201 HydrophobicContact CD1-CD1 4.1Å; L166-L204 HydrophobicContact CD1-CD1 3.89Å; L166-T220 HydrophobicContact CD2-CG2 4.2Å; L166-L231 HydrophobicContact CD2-CD2 3.65Å; L166-L231 HydrophobicContact CG-CD2 4.47Å; L166-T361 HydrophobicContact CB-CG2 4.26Å; L166-T361 HydrophobicContact CD1-CG2 4.25Å; L166-I363 HydrophobicContact CD2-CG1 3.87Å
167	L	87.8	Confident	71.2	Confident	17 Å²	17	42.2 Å²	42.2	9%	0.089	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.2	171	-60.4	-179.5	0	0	0	109.2	V169 V196 Q198 T361 E362 P364	L167-V169 HydrophobicContact CB-CG2 4.48Å; L167-V196 HydrophobicContact CB-CG1 3.87Å; L167-Q198 HydrophobicContact CD2-CG 4.2Å; L167-T361 CarbonylContact O-C 3.44Å; L167-T361 WeakPolarHBondContact O-CA 3.4Å; L167-E362 HydrophobicContact CB-CB 4.35Å; L167-E362 PolarHBondContact N-O 3.07Å; L167-E362 PolarHBondContact O-N 3.36Å; L167-P364 HydrophobicContact CD1-CB 4.29Å; L167-P364 HydrophobicContact CG-CG 4.5Å
168	L	88.4	Confident	72.9	Confident	34 Å²	34	46.9 Å²	46.9	18%	0.178	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	116.6	176.9	-179.5	70.2	0	0	0	110.2	V196 R197 L208 R359	L168-V196 WeakPolarHBondContact O-CG1 3.46Å; L168-R197 HydrophobicContact CB-CB 4.42Å; L168-R197 PolarHBondContact N-O 3.48Å; L168-L208 HydrophobicContact CD1-CD1 4.39Å; L168-L208 HydrophobicContact CD2-CD1 3.6Å; L168-L208 HydrophobicContact CD2-CD2 4.13Å; L168-R359 HydrophobicContact CD1-CG 4.13Å
169	V	86.3	Confident	74.9	Confident	18 Å²	18	47 Å²	47	11%	0.109	25%	0.253	C	S	.	.			trans	-118.4	138.8	-171.2	-166.7	0	0	0	0	111.7	L167 G171 V196 L360 E362	L167-V169 HydrophobicContact CB-CG2 4.48Å; V169-G171 PolarHBondContact O-N 3.3Å; V169-V196 HydrophobicContact CG2-CG1 4.43Å; V169-L360 HydrophobicContact CB-CD2 4.36Å; V169-L360 HydrophobicContact CB-CG 4.48Å; V169-L360 PolarHBondContact N-O 3.03Å; V169-L360 WeakPolarHBondContact O-CB 3.3Å; V169-E362 HydrophobicContact CG2-CB 3.7Å
170	D	78	Confident	76.9	Confident	95 Å²	95	42.1 Å²	42.1	51%	0.508	23%	0.23	S	C	.	.	S	Bend	trans	-74.4	-3	-178.5	-79.8	-21.5	0	0	0	115.3
171	G	83.9	Confident	78.7	Confident	20 Å²	20	40.8 Å²	40.8	21%	0.206	23%	0.225	C	C	.	.	S	Bend	trans	143.1	153.2	-174.3	0	0	0	0	0	111.9	V169 K734	V169-G171 PolarHBondContact O-N 3.3Å; G171-K734 PolarHBondContact O-NZ 3.1Å; G171-K734 VanDerWaalsContact O-NZ 3.13Å
172	L	85.8	Confident	80.7	Confident	24 Å²	24	41 Å²	41	13%	0.126	23%	0.225	C	C	.	.			trans	-67	141.5	179.5	-56.5	177.4	0	0	0	111.9	Q176 Q177 V221 P346 A349 L360	L172-Q176 HydrophobicContact CB-CB 4.37Å; L172-Q177 HydrophobicContact CB-CG 3.95Å; L172-Q177 PolarHBondContact O-NE2 3Å; L172-V221 HydrophobicContact CD2-CB 4.25Å; L172-V221 HydrophobicContact CD2-CG1 3.97Å; L172-V221 HydrophobicContact CD2-CG2 3.68Å; L172-P346 WeakPolarHBondContact CD1-O 3.49Å; L172-P346 HydrophobicContact CD2-CB 4.48Å; L172-A349 HydrophobicContact CD1-CB 4.11Å; L172-L360 HydrophobicContact CD2-CD1 4.37Å; L172-L360 HydrophobicContact CD2-CD2 4.02Å; L172-L360 HydrophobicContact CG-CD2 4.17Å
173	S	83.9	Confident	83.1	Confident	10 Å²	10	36.7 Å²	36.7	7%	0.07	20%	0.195	C	C	.	.			trans	-81	162.6	173.8	70.7	0	0	0	0	112.5	L175 Q176 Q177 D735	S173-L175 PolarHBondContact O-N 3.32Å; S173-Q176 VanDerWaalsContact N-OE1 3.11Å; S173-Q176 WeakPolarHBondContact O-CB 3.34Å; S173-Q176 PolarHBondContact O-N 3.15Å; S173-Q176 PolarHBondContact OG-N 3.47Å; S173-Q177 VanDerWaalsContact O-CG 3.3Å; S173-Q177 WeakPolarHBondContact O-CG 3.5Å; S173-Q177 PolarHBondContact O-N 2.92Å; S173-D735 WeakPolarHBondContact CB-OD2 3.45Å; S173-D735 PolarHBondContact OG-OD2 2.58Å
174	D	82.3	Confident	84.9	Confident	115 Å²	115	33.4 Å²	33.4	62%	0.615	17%	0.172	S	C	*	.	H	α-helix	trans	-58.5	-35.6	177	-68.8	-10.6	0	0	0	111.7	Q177 K178	D174-Q177 PolarHBondContact O-N 2.86Å; D174-K178 PolarHBondContact O-N 3.45Å
175	L	84.9	Confident	86.1	Confident	22 Å²	22	32.3 Å²	32.3	12%	0.115	17%	0.168	C	C	.	.	H	α-helix	trans	-58	-48.8	172.7	-179.5	75.1	0	0	0	110.8	S173 Q177 E179 Q184 A187 T188 L632	S173-L175 PolarHBondContact O-N 3.32Å; L175-Q177 VanDerWaalsContact C-N 3.31Å; L175-Q177 PolarHBondContact O-N 3.17Å; L175-E179 HydrophobicContact CD1-CB 4.27Å; L175-E179 HydrophobicContact CD1-CG 3.97Å; L175-E179 WeakPolarHBondContact O-CB 3.41Å; L175-E179 PolarHBondContact O-N 3.07Å; L175-Q184 HydrophobicContact CG-CG 4.35Å; L175-A187 HydrophobicContact CD1-CB 4.3Å; L175-A187 HydrophobicContact CD2-CB 4.23Å; L175-T188 HydrophobicContact CD2-CG2 3.65Å; L175-L632 HydrophobicContact CD1-CD1 3.26Å
176	Q	86.7	Confident	86.6	Confident	7 Å²	7	29.5 Å²	29.5	3%	0.033	15%	0.153	C	C	.	.	H	α-helix	trans	-65.6	-33.2	-179.7	-73.6	177.4	-47.8	0	0	112.9	L172 S173 Q184 P346 A347 E362	L172-Q176 HydrophobicContact CB-CB 4.37Å; S173-Q176 VanDerWaalsContact N-OE1 3.11Å; S173-Q176 WeakPolarHBondContact O-CB 3.34Å; S173-Q176 PolarHBondContact O-N 3.15Å; S173-Q176 PolarHBondContact OG-N 3.47Å; Q176-Q184 PolarHBondContact O-NE2 2.94Å; Q176-Q184 VanDerWaalsContact O-NE2 3.11Å; Q176-P346 HydrophobicContact CB-CB 3.88Å; Q176-P346 WeakPolarHBondContact O-CB 3.31Å; Q176-A347 PolarHBondContact O-N 3.04Å; Q176-E362 PolarHBondContact NE2-OE1 3.38Å; Q176-E362 PolarHBondContact NE2-OE2 2.7Å
177	Q	87.2	Confident	86.3	Confident	70 Å²	70	29.5 Å²	29.5	33%	0.327	15%	0.154	S	C	.	.	H	α-helix	trans	-78.6	-32.2	-175.3	-66.5	173.3	34.5	0	0	113.5	L172 S173 D174 L175	L172-Q177 HydrophobicContact CB-CG 3.95Å; L172-Q177 PolarHBondContact O-NE2 3Å; S173-Q177 VanDerWaalsContact O-CG 3.3Å; S173-Q177 WeakPolarHBondContact O-CG 3.5Å; S173-Q177 PolarHBondContact O-N 2.92Å; D174-Q177 PolarHBondContact O-N 2.86Å; L175-Q177 VanDerWaalsContact C-N 3.31Å; L175-Q177 PolarHBondContact O-N 3.17Å
178	K	84.8	Confident	85.8	Confident	122 Å²	122	30 Å²	30	53%	0.53	16%	0.157	S	C	.	.	H	α-helix	trans	-114.1	-23.8	-166.4	-64.7	-177.8	179.6	177.9	0	115.3	D174 D576	D174-K178 PolarHBondContact O-N 3.45Å; K178-D576 CarbonylContact O-C 3.55Å
179	E	88.5	Confident	85.1	Confident	34 Å²	34	31.2 Å²	31.2	16%	0.159	16%	0.16	C	C	.	.	S	Bend	trans	-103.2	154.3	-165.3	-57.6	-75.5	176.8	0	0	111.3	L175 Q184 L632	L175-E179 HydrophobicContact CD1-CB 4.27Å; L175-E179 HydrophobicContact CD1-CG 3.97Å; L175-E179 WeakPolarHBondContact O-CB 3.41Å; L175-E179 PolarHBondContact O-N 3.07Å; E179-Q184 HydrophobicContact CB-CG 4.12Å; E179-Q184 PolarHBondContact O-NE2 3.43Å; E179-L632 HydrophobicContact CB-CD1 4.22Å; E179-L632 HydrophobicContact CG-CD1 3.79Å
180	H	91.1	Very high	84.2	Confident	7 Å²	7	30.9 Å²	30.9	3%	0.032	16%	0.16	C	C	.	.			trans	-65.4	143.1	179.2	-177.2	-96.4	0	0	0	112.2	L182 M183 Q184 L525 E529 V581	H180-L182 VanDerWaalsContact C-N 3.31Å; H180-L182 PolarHBondContact ND1-N 3.48Å; H180-L182 PolarHBondContact O-N 3.26Å; H180-L182 VanDerWaalsContact O-N 3.15Å; H180-M183 HydrophobicContact CB-CG 3.88Å; H180-M183 WeakPolarHBondContact O-CA 3.49Å; H180-M183 VanDerWaalsContact O-CB 3.26Å; H180-M183 WeakPolarHBondContact O-CB 3.46Å; H180-M183 PolarHBondContact O-N 3.26Å; H180-Q184 WeakPolarHBondContact O-CG 3.34Å; H180-Q184 PolarHBondContact O-N 3.12Å; H180-L525 WeakPolarHBondContact NE2-CD2 3.44Å; H180-E529 IonicContact CD2-OE1 2.71Å; H180-E529 IonicContact CE1-OE1 2.7Å; H180-E529 PolarHBondContact CE1-OE1 3.28Å; H180-E529 IonicContact CE1-OE2 3.62Å; H180-E529 IonicContact NE2-OE1 3.55Å; H180-E529 PolarHBondContact NE2-OE1 2.78Å; H180-E529 IonicContact NE2-OE2 3.17Å; H180-V581 VanDerWaalsContact ND1-CG2 3.33Å; H180-V581 WeakPolarHBondContact ND1-CG2 3.13Å
181	D	90.3	Very high	83.4	Confident	4 Å²	4	28.5 Å²	28.5	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-47.7	-47.3	-174.6	-76.6	23.5	0	0	0	114.4	M183 Q184 V185 V223 A224 R345	D181-M183 VanDerWaalsContact C-N 3.33Å; D181-M183 PolarHBondContact O-N 3.11Å; D181-Q184 WeakPolarHBondContact O-CB 3.44Å; D181-Q184 PolarHBondContact O-N 3.24Å; D181-V185 PolarHBondContact O-N 3.2Å; D181-V185 VanDerWaalsContact O-N 3.13Å; D181-V223 HydrophobicContact CB-CB 3.95Å; D181-V223 HydrophobicContact CB-CG1 4.02Å; D181-V223 WeakPolarHBondContact OD2-CA 3.16Å; D181-A224 WeakPolarHBondContact OD2-CB 3.3Å; D181-A224 PolarHBondContact OD2-N 3.21Å; D181-R345 IonicContact OD1-CZ 2.97Å; D181-R345 IonicContact OD1-NE 3.09Å; D181-R345 PolarHBondContact OD1-NE 2.97Å; D181-R345 VanDerWaalsContact OD1-NE 3.11Å; D181-R345 IonicContact OD1-NH2 3.72Å; D181-R345 PolarHBondContact OD1-NH2 3.33Å; D181-R345 IonicContact OD2-CZ 2.63Å; D181-R345 VanDerWaalsContact OD2-CZ 3.28Å; D181-R345 IonicContact OD2-NE 2.68Å; D181-R345 PolarHBondContact OD2-NE 2.8Å; D181-R345 IonicContact OD2-NH2 3.4Å; D181-R345 PolarHBondContact OD2-NH2 2.88Å
182	L	89.6	Confident	82.2	Confident	4 Å²	4	31.2 Å²	31.2	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-64.8	-39.8	179.4	-177.7	60.6	0	0	0	111.5	H180 Q184 V185 E186 M401 M404 T526 V581	H180-L182 VanDerWaalsContact C-N 3.31Å; H180-L182 PolarHBondContact ND1-N 3.48Å; H180-L182 PolarHBondContact O-N 3.26Å; H180-L182 VanDerWaalsContact O-N 3.15Å; L182-Q184 VanDerWaalsContact C-N 3.32Å; L182-Q184 PolarHBondContact O-N 3.38Å; L182-V185 PolarHBondContact O-N 3.44Å; L182-E186 HydrophobicContact CD1-CG 4.38Å; L182-E186 HydrophobicContact CG-CG 4.49Å; L182-E186 WeakPolarHBondContact O-CB 3.48Å; L182-E186 VanDerWaalsContact O-CG 3.31Å; L182-E186 WeakPolarHBondContact O-CG 3.38Å; L182-E186 PolarHBondContact O-N 2.92Å; L182-M401 HydrophobicContact CD1-CE 3.81Å; L182-M401 HydrophobicContact CD1-CG 3.76Å; L182-M401 HydrophobicContact CD1-SD 4.3Å; L182-M401 HydrophobicContact CD2-CE 4.09Å; L182-M404 HydrophobicContact CD1-CE 3.8Å; L182-T526 HydrophobicContact CD2-CG2 4.46Å; L182-V581 HydrophobicContact CB-CG2 4.02Å; L182-V581 HydrophobicContact CD2-CG1 4Å; L182-V581 HydrophobicContact CD2-CG2 3.79Å; L182-V581 HydrophobicContact CG-CG2 4.43Å
183	M	88.1	Confident	81.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.1	-39.7	176.9	-52.9	-67.4	-54.4	0	0	110.9	H180 D181 E186 A187 R584 L632 N636	H180-M183 HydrophobicContact CB-CG 3.88Å; H180-M183 WeakPolarHBondContact O-CA 3.49Å; H180-M183 VanDerWaalsContact O-CB 3.26Å; H180-M183 WeakPolarHBondContact O-CB 3.46Å; H180-M183 PolarHBondContact O-N 3.26Å; D181-M183 VanDerWaalsContact C-N 3.33Å; D181-M183 PolarHBondContact O-N 3.11Å; M183-E186 PolarHBondContact O-N 3.37Å; M183-A187 WeakPolarHBondContact O-CB 3.29Å; M183-A187 PolarHBondContact O-N 3.1Å; M183-R584 VanDerWaalsContact CE-NH2 3.33Å; M183-R584 PolarHBondContact SD-NH2 3.43Å; M183-L632 HydrophobicContact CE-CB 4.14Å; M183-L632 WeakPolarHBondContact CE-O 3.49Å; M183-N636 HydrophobicContact CE-CB 4.16Å
184	Q	88.1	Confident	79.5	Confident	7 Å²	7	38.9 Å²	38.9	3%	0.033	19%	0.193	C	C	.	.	H	α-helix	trans	-61.5	-46	177.3	-60.3	-177.6	28.2	0	0	111.2	L175 Q176 E179 H180 D181 L182 T188	L175-Q184 HydrophobicContact CG-CG 4.35Å; Q176-Q184 PolarHBondContact O-NE2 2.94Å; Q176-Q184 VanDerWaalsContact O-NE2 3.11Å; E179-Q184 HydrophobicContact CB-CG 4.12Å; E179-Q184 PolarHBondContact O-NE2 3.43Å; H180-Q184 WeakPolarHBondContact O-CG 3.34Å; H180-Q184 PolarHBondContact O-N 3.12Å; D181-Q184 WeakPolarHBondContact O-CB 3.44Å; D181-Q184 PolarHBondContact O-N 3.24Å; L182-Q184 VanDerWaalsContact C-N 3.32Å; L182-Q184 PolarHBondContact O-N 3.38Å; Q184-T188 WeakPolarHBondContact O-CB 3.3Å; Q184-T188 WeakPolarHBondContact O-CG2 3.37Å; Q184-T188 PolarHBondContact O-N 3.31Å; Q184-T188 PolarHBondContact O-OG1 2.94Å
185	V	88.3	Confident	78.4	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.024	19%	0.19	C	C	.	.	H	α-helix	trans	-67.6	-40.5	179	177.6	0	0	0	0	111.3	D181 L182 T188 R189 G190 V223 V400 Y403 M404	D181-V185 PolarHBondContact O-N 3.2Å; D181-V185 VanDerWaalsContact O-N 3.13Å; L182-V185 PolarHBondContact O-N 3.44Å; V185-T188 PolarHBondContact O-OG1 3.47Å; V185-R189 VanDerWaalsContact O-CA 3.23Å; V185-R189 WeakPolarHBondContact O-CA 3.38Å; V185-R189 PolarHBondContact O-N 2.99Å; V185-G190 PolarHBondContact O-N 3.26Å; V185-V223 HydrophobicContact CG2-CB 4.43Å; V185-V223 HydrophobicContact CG2-CG1 4.11Å; V185-V223 HydrophobicContact CG2-CG2 3.81Å; V185-V400 HydrophobicContact CG1-CG1 4.05Å; V185-V400 WeakPolarHBondContact O-CG1 3.5Å; V185-Y403 HydrophobicContact CG1-CD1 3.76Å; V185-Y403 HydrophobicContact CG1-CG 4.26Å; V185-Y403 HydrophobicContact CG2-CD1 4.23Å; V185-M404 HydrophobicContact CB-CE 4.02Å; V185-M404 HydrophobicContact CG1-CE 3.98Å; V185-M404 HydrophobicContact CG2-CE 3.98Å; V185-M404 HydrophobicContact CG2-CG 4.35Å; V185-M404 HydrophobicContact CG2-SD 4.11Å
186	E	85.8	Confident	77.7	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.019	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-46.4	176.3	-75.3	176.3	162	0	0	112.2	L182 M183 R189 V400 R584 Y639	L182-E186 HydrophobicContact CD1-CG 4.38Å; L182-E186 HydrophobicContact CG-CG 4.49Å; L182-E186 WeakPolarHBondContact O-CB 3.48Å; L182-E186 VanDerWaalsContact O-CG 3.31Å; L182-E186 WeakPolarHBondContact O-CG 3.38Å; L182-E186 PolarHBondContact O-N 2.92Å; M183-E186 PolarHBondContact O-N 3.37Å; E186-R189 WeakPolarHBondContact O-CG 3.34Å; E186-R189 PolarHBondContact O-N 3.26Å; E186-V400 HydrophobicContact CG-CG1 4.49Å; E186-R584 IonicContact OE1-NH1 3.99Å; E186-R584 PolarHBondContact OE1-NH1 2.98Å; E186-R584 IonicContact OE2-CZ 3.11Å; E186-R584 VanDerWaalsContact OE2-CZ 3.26Å; E186-R584 IonicContact OE2-NH1 3.29Å; E186-R584 PolarHBondContact OE2-NH1 2.87Å; E186-R584 IonicContact OE2-NH2 3.34Å; E186-R584 PolarHBondContact OE2-NH2 3.48Å; E186-Y639 PolarHBondContact OE2-OH 3.08Å
187	A	82.2	Confident	77.3	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-45.6	177.8	0	0	0	0	0	112.3	L175 M183 R189 L632 Y708	L175-A187 HydrophobicContact CD1-CB 4.3Å; L175-A187 HydrophobicContact CD2-CB 4.23Å; M183-A187 WeakPolarHBondContact O-CB 3.29Å; M183-A187 PolarHBondContact O-N 3.1Å; A187-R189 VanDerWaalsContact C-N 3.32Å; A187-L632 HydrophobicContact CB-CD1 4.5Å; A187-Y708 HydrophobicContact CB-CE1 3.67Å; A187-Y708 WeakPolarHBondContact CB-OH 3.25Å; A187-Y708 WeakPolarHBondContact O-CD1 3.1Å; A187-Y708 WeakPolarHBondContact O-CE1 3.23Å
188	T	77.6	Confident	77.3	Confident	28 Å²	28	44.6 Å²	44.6	17%	0.172	21%	0.214	C	C	.	.	H	α-helix	trans	-83.5	-7.9	178.8	58.9	0	0	0	0	113.5	L175 Q184 V185 G190 A191	L175-T188 HydrophobicContact CD2-CG2 3.65Å; Q184-T188 WeakPolarHBondContact O-CB 3.3Å; Q184-T188 WeakPolarHBondContact O-CG2 3.37Å; Q184-T188 PolarHBondContact O-N 3.31Å; Q184-T188 PolarHBondContact O-OG1 2.94Å; V185-T188 PolarHBondContact O-OG1 3.47Å; T188-G190 PolarHBondContact O-N 3.08Å; T188-G190 VanDerWaalsContact O-N 3.17Å; T188-A191 WeakPolarHBondContact O-CB 3.46Å; T188-A191 PolarHBondContact O-N 2.9Å
189	R	74.8	Confident	77.4	Confident	60 Å²	60	38.9 Å²	38.9	23%	0.226	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	23.7	-178.4	-58.7	169.1	166.6	-160.4	-6	115	V185 E186 A187 A191 V400 L678 Q679 S681 S685	V185-R189 VanDerWaalsContact O-CA 3.23Å; V185-R189 WeakPolarHBondContact O-CA 3.38Å; V185-R189 PolarHBondContact O-N 2.99Å; E186-R189 WeakPolarHBondContact O-CG 3.34Å; E186-R189 PolarHBondContact O-N 3.26Å; A187-R189 VanDerWaalsContact C-N 3.32Å; R189-A191 PolarHBondContact O-N 3.08Å; R189-A191 VanDerWaalsContact O-N 3.08Å; R189-V400 HydrophobicContact CB-CG2 4.32Å; R189-L678 PolarHBondContact NH2-O 3.04Å; R189-Q679 PolarHBondContact NE-O 3.19Å; R189-Q679 PolarHBondContact NH2-O 3.25Å; R189-S681 PolarHBondContact NH2-O 3.07Å; R189-S685 VanDerWaalsContact CZ-CB 3.47Å; R189-S685 PolarHBondContact NH1-OG 2.86Å; R189-S685 PolarHBondContact NH2-OG 2.79Å
190	G	65.7	Low	77.3	Confident	11 Å²	11	39.4 Å²	39.4	11%	0.113	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	21.5	-168.4	0	0	0	0	0	113	V185 T188 Q192 Y403	V185-G190 PolarHBondContact O-N 3.26Å; T188-G190 PolarHBondContact O-N 3.08Å; T188-G190 VanDerWaalsContact O-N 3.17Å; G190-Q192 PolarHBondContact O-N 3.07Å; G190-Y403 WeakPolarHBondContact O-CE2 3.4Å
191	A	62.4	Low	77	Confident	45 Å²	45	39.8 Å²	39.8	37%	0.372	20%	0.202	S	C	.	.			trans	-64.3	129.1	-174.9	0	0	0	0	0	109.9	T188 R189 R193	T188-A191 WeakPolarHBondContact O-CB 3.46Å; T188-A191 PolarHBondContact O-N 2.9Å; R189-A191 PolarHBondContact O-N 3.08Å; R189-A191 VanDerWaalsContact O-N 3.08Å; A191-R193 PolarHBondContact O-N 3.18Å
192	Q	57.5	Low	76.7	Confident	76 Å²	76	41.4 Å²	41.4	36%	0.355	22%	0.216	S	C	.	.			trans	-66	122.2	174.2	-69	-145.4	-13.9	0	0	109.1	G190 H194	G190-Q192 PolarHBondContact O-N 3.07Å; Q192-H194 PolarHBondContact O-CD2 3.19Å; Q192-H194 VanDerWaalsContact O-CD2 3.27Å; Q192-H194 PolarHBondContact O-N 2.77Å
193	R	62.9	Low	76.5	Confident	37 Å²	37	43 Å²	43	14%	0.14	22%	0.222	C	C	.	.			trans	-71	81.1	173.7	-61	176.1	169.7	173.6	-11.4	108.1	A191 H195 V196 E362 D735	A191-R193 PolarHBondContact O-N 3.18Å; R193-H195 PolarHBondContact O-N 3.36Å; R193-V196 HydrophobicContact CB-CB 3.92Å; R193-V196 HydrophobicContact CB-CG2 3.44Å; R193-V196 VanDerWaalsContact CB-CG2 3.44Å; R193-V196 HydrophobicContact CG-CG2 4.33Å; R193-V196 WeakPolarHBondContact O-CB 3.41Å; R193-V196 PolarHBondContact O-N 3.47Å; R193-E362 IonicContact CZ-OE2 2.74Å; R193-E362 IonicContact NH1-OE2 2.75Å; R193-E362 PolarHBondContact NH1-OE2 3.38Å; R193-D735 IonicContact CZ-OD1 3.82Å; R193-D735 IonicContact NE-OD1 3.77Å; R193-D735 IonicContact NH2-OD1 3.99Å; R193-D735 PolarHBondContact NH2-OD1 2.83Å
194	H	50.1	Low	76.6	Confident	158 Å²	158	43 Å²	43	73%	0.731	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.9	-174.1	-67.7	-63.9	0	0	0	114.4	Q192	Q192-H194 PolarHBondContact O-CD2 3.19Å; Q192-H194 VanDerWaalsContact O-CD2 3.27Å; Q192-H194 PolarHBondContact O-N 2.77Å
195	H	60.5	Low	76.6	Confident	121 Å²	121	42.8 Å²	42.8	56%	0.56	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-7.6	176.6	-52.2	94.3	0	0	0	113.2	R193 R764	R193-H195 PolarHBondContact O-N 3.36Å; H195-R764 PolarHBondContact CD2-O 3.35Å; H195-R764 PolarHBondContact NE2-O 2.89Å
196	V	70.2	Confident	76.6	Confident	35 Å²	35	47 Å²	47	21%	0.212	24%	0.241	C	C	.	.	S	Bend	trans	-91.3	133.6	-178	179.5	0	0	0	0	109.6	L167 L168 V169 R193 Q198	L167-V196 HydrophobicContact CB-CG1 3.87Å; L168-V196 WeakPolarHBondContact O-CG1 3.46Å; V169-V196 HydrophobicContact CG2-CG1 4.43Å; R193-V196 HydrophobicContact CB-CB 3.92Å; R193-V196 HydrophobicContact CB-CG2 3.44Å; R193-V196 VanDerWaalsContact CB-CG2 3.44Å; R193-V196 HydrophobicContact CG-CG2 4.33Å; R193-V196 WeakPolarHBondContact O-CB 3.41Å; R193-V196 PolarHBondContact O-N 3.47Å; V196-Q198 PolarHBondContact O-N 2.97Å
197	R	78.4	Confident	76.6	Confident	71 Å²	71	49.6 Å²	49.6	27%	0.268	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	131.9	-173.9	-165.6	178.1	-166.8	-171.4	1	110.7	L27 L168	L27-R197 HydrophobicContact CD1-CG 4.46Å; L27-R197 VanDerWaalsContact CG-NH2 3.25Å; L168-R197 HydrophobicContact CB-CB 4.42Å; L168-R197 PolarHBondContact N-O 3.48Å
198	Q	85.7	Confident	76.5	Confident	108 Å²	108	50.8 Å²	50.8	51%	0.505	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	134.2	172.3	-77.8	-171.8	2.5	0	0	110.9	I165 L166 L167 V196	I165-Q198 HydrophobicContact CG2-CB 3.36Å; I165-Q198 HydrophobicContact CG2-CG 3.54Å; L166-Q198 CarbonylContact O-C 3.23Å; L167-Q198 HydrophobicContact CD2-CG 4.2Å; V196-Q198 PolarHBondContact O-N 2.97Å
199	L	86.9	Confident	76.5	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118.7	179.1	-174.1	72	0	0	0	109.2	L166 K203 L208 T361	L166-L199 HydrophobicContact CB-CB 4.33Å; L166-L199 PolarHBondContact N-O 3.24Å; L166-L199 PolarHBondContact O-N 3.18Å; L199-K203 HydrophobicContact CD1-CB 3.82Å; L199-K203 HydrophobicContact CG-CB 4.45Å; L199-L208 HydrophobicContact CD1-CD2 4.19Å; L199-T361 HydrophobicContact CD2-CG2 3.85Å
200	A	86.4	Confident	76.4	Confident	45 Å²	45	58.9 Å²	58.9	37%	0.372	30%	0.295	S	S	.	.			trans	-65.5	144.1	172.6	0	0	0	0	0	110.4	A202 K203	A200-A202 PolarHBondContact O-N 2.99Å; A200-K203 HydrophobicContact CB-CG 4.44Å; A200-K203 PolarHBondContact O-N 3.27Å
201	L	85.6	Confident	76.8	Confident	15 Å²	15	65 Å²	65	8%	0.079	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-57.2	-36.2	-178.7	-175.6	61.7	0	0	0	112.8	L166 K203 L204 L231 F235 L238 W341	L166-L201 HydrophobicContact CD1-CD1 4.1Å; L201-K203 PolarHBondContact O-N 3.46Å; L201-L204 VanDerWaalsContact O-CB 3.27Å; L201-L204 WeakPolarHBondContact O-CB 3.36Å; L201-L204 PolarHBondContact O-N 3.13Å; L201-L204 VanDerWaalsContact O-N 3.14Å; L201-L231 HydrophobicContact CD1-CD1 4.17Å; L201-L231 HydrophobicContact CD1-CG 4.43Å; L201-L231 HydrophobicContact CD2-CD1 3.96Å; L201-F235 HydrophobicContact CD1-CD2 3.95Å; L201-F235 HydrophobicContact CD2-CB 4.1Å; L201-F235 HydrophobicContact CD2-CD2 4.18Å; L201-F235 HydrophobicContact CG-CD2 3.88Å; L201-L238 HydrophobicContact CD2-CD1 4.43Å; L201-W341 HydrophobicContact CD1-CH2 4.29Å
202	A	83.3	Confident	77.5	Confident	37 Å²	37	64.9 Å²	64.9	31%	0.306	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-59.6	-26.6	175.3	0	0	0	0	0	113.4	A200 I244	A200-A202 PolarHBondContact O-N 2.99Å; A202-I244 HydrophobicContact CB-CB 4.25Å; A202-I244 HydrophobicContact CB-CG2 3.85Å
203	K	87.2	Confident	78.7	Confident	38 Å²	38	68.5 Å²	68.5	17%	0.165	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-93.7	8.5	-178.4	-57.4	-165	169.5	172.9	0	113.2	L27 L199 A200 L201 L205 E206 R359	L27-K203 HydrophobicContact CD2-CD 3.78Å; L27-K203 PolarHBondContact O-NZ 2.86Å; L27-K203 VanDerWaalsContact O-NZ 3.07Å; L199-K203 HydrophobicContact CD1-CB 3.82Å; L199-K203 HydrophobicContact CG-CB 4.45Å; A200-K203 HydrophobicContact CB-CG 4.44Å; A200-K203 PolarHBondContact O-N 3.27Å; L201-K203 PolarHBondContact O-N 3.46Å; K203-L205 PolarHBondContact O-N 2.93Å; K203-E206 HydrophobicContact CB-CB 4.39Å; K203-E206 WeakPolarHBondContact CG-OE2 3.31Å; K203-E206 PolarHBondContact O-N 3.48Å; K203-R359 PolarHBondContact O-NH1 3.46Å
204	L	88.8	Confident	79.8	Confident	0 Å²	0	70 Å²	70	0%	0	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-41.1	-178.6	-178.6	63.8	0	0	0	111.6	L166 L201 W341 R359 T361	L166-L204 HydrophobicContact CD1-CD1 3.89Å; L201-L204 VanDerWaalsContact O-CB 3.27Å; L201-L204 WeakPolarHBondContact O-CB 3.36Å; L201-L204 PolarHBondContact O-N 3.13Å; L201-L204 VanDerWaalsContact O-N 3.14Å; L204-W341 HydrophobicContact CD2-CD2 3.61Å; L204-W341 HydrophobicContact CD2-CE3 3.95Å; L204-W341 HydrophobicContact CD2-CG 4Å; L204-W341 HydrophobicContact CD2-CH2 4.31Å; L204-W341 HydrophobicContact CD2-CZ2 3.98Å; L204-W341 HydrophobicContact CD2-CZ3 4.29Å; L204-R359 VanDerWaalsContact O-CD 3.28Å; L204-R359 WeakPolarHBondContact O-CD 3.47Å; L204-R359 PolarHBondContact O-NH1 3Å; L204-R359 VanDerWaalsContact O-NH1 3.15Å; L204-T361 HydrophobicContact CD1-CG2 4.33Å
205	L	89.4	Confident	81.8	Confident	3 Å²	3	62.9 Å²	62.9	2%	0.016	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	3.8	-176.4	-54.8	179.1	0	0	0	114.1	K203 P215 V248 L292 A339	K203-L205 PolarHBondContact O-N 2.93Å; L205-P215 WeakPolarHBondContact O-CD 3.27Å; L205-V248 HydrophobicContact CD1-CG2 4.14Å; L205-L292 HydrophobicContact CD1-CD1 3.96Å; L205-L292 HydrophobicContact CD1-CD2 4.09Å; L205-L292 HydrophobicContact CD1-CG 4.45Å; L205-L292 HydrophobicContact CD2-CD1 4.13Å; L205-A339 HydrophobicContact CD2-CB 4.32Å
206	E	87.5	Confident	83.4	Confident	92 Å²	92	59.6 Å²	59.6	43%	0.43	31%	0.312	S	S	.	.	S	Bend	trans	-90.3	146.5	-178.8	-70.4	-175.7	179.8	0	0	111.9	K203 R359	K203-E206 HydrophobicContact CB-CB 4.39Å; K203-E206 WeakPolarHBondContact CG-OE2 3.31Å; K203-E206 PolarHBondContact O-N 3.48Å; E206-R359 VanDerWaalsContact O-CZ 3.28Å; E206-R359 PolarHBondContact O-NH1 2.94Å; E206-R359 VanDerWaalsContact O-NH1 3.1Å; E206-R359 PolarHBondContact O-NH2 2.77Å
207	P	85.9	Confident	84.6	Confident	59 Å²	59	58.1 Å²	58.1	38%	0.383	30%	0.303	S	S	.	.			trans	-63.6	141	174.1	27.3	-33.7	0	0	0	112.1	S212	P207-S212 WeakPolarHBondContact CB-O 3.12Å; P207-S212 WeakPolarHBondContact CB-OG 3.49Å
208	L	79.9	Confident	85.5	Confident	25 Å²	25	54.7 Å²	54.7	13%	0.131	29%	0.29	C	S	.	.	S	Bend	trans	-78.2	-24.2	-177.3	-66.9	174.7	0	0	0	113.6	L168 L199 S212	L168-L208 HydrophobicContact CD1-CD1 4.39Å; L168-L208 HydrophobicContact CD2-CD1 3.6Å; L168-L208 HydrophobicContact CD2-CD2 4.13Å; L199-L208 HydrophobicContact CD1-CD2 4.19Å; L208-S212 PolarHBondContact N-OG 2.82Å; L208-S212 VanDerWaalsContact N-OG 3.11Å
209	T	77.9	Confident	86	Confident	27 Å²	27	49.9 Å²	49.9	17%	0.166	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-137.8	162.7	-178.2	65.3	0	0	0	0	109.4	Y24 V211 S212	Y24-T209 HydrophobicContact CD1-CG2 3.76Å; Y24-T209 HydrophobicContact CE1-CG2 3.7Å; T209-V211 PolarHBondContact O-N 3.1Å; T209-V211 VanDerWaalsContact O-N 3.08Å; T209-S212 PolarHBondContact N-OG 2.94Å; T209-S212 PolarHBondContact O-N 3.23Å; T209-S212 PolarHBondContact O-OG 2.68Å; T209-S212 VanDerWaalsContact OG1-CB 3.29Å; T209-S212 WeakPolarHBondContact OG1-CB 3.48Å; T209-S212 PolarHBondContact OG1-N 3.23Å; T209-S212 PolarHBondContact OG1-OG 2.82Å; T209-S212 VanDerWaalsContact OG1-OG 3.05Å
210	R	73.1	Confident	86.5	Confident	231 Å²	231	49.8 Å²	49.8	87%	0.872	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-14.7	177.5	-63.5	-175.6	-179.7	-177	0.3	114.2	V25	V25-R210 HydrophobicContact CG2-CG 3.91Å
211	V	73.3	Confident	86.9	Confident	141 Å²	141	47.7 Å²	47.7	86%	0.855	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-9	-177.5	-92.4	0	0	0	0	113.4	T209	T209-V211 PolarHBondContact O-N 3.1Å; T209-V211 VanDerWaalsContact O-N 3.08Å
212	S	77.1	Confident	87.2	Confident	41 Å²	41	47 Å²	47	29%	0.287	25%	0.247	S	C	.	.	S	Bend	trans	-84.6	142.4	176.4	55.2	0	0	0	0	111	P207 L208 T209	P207-S212 WeakPolarHBondContact CB-O 3.12Å; P207-S212 WeakPolarHBondContact CB-OG 3.49Å; L208-S212 PolarHBondContact N-OG 2.82Å; L208-S212 VanDerWaalsContact N-OG 3.11Å; T209-S212 PolarHBondContact N-OG 2.94Å; T209-S212 PolarHBondContact O-N 3.23Å; T209-S212 PolarHBondContact O-OG 2.68Å; T209-S212 VanDerWaalsContact OG1-CB 3.29Å; T209-S212 WeakPolarHBondContact OG1-CB 3.48Å; T209-S212 PolarHBondContact OG1-N 3.23Å; T209-S212 PolarHBondContact OG1-OG 2.82Å; T209-S212 VanDerWaalsContact OG1-OG 3.05Å
213	L	83.3	Confident	87.6	Confident	152 Å²	152	45.9 Å²	45.9	80%	0.796	24%	0.236	S	C	*	.	P	Polyproline II helix	trans	-72.4	152.8	170.5	-64.5	169.8	0	0	0	110.9
214	P	86.1	Confident	87.8	Confident	68 Å²	68	44.7 Å²	44.7	44%	0.442	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-57.1	137.7	167.2	-22	33.1	0	0	0	110.7	R216	P214-R216 PolarHBondContact O-N 2.85Å
215	P	92.1	Very high	87.7	Confident	9 Å²	9	45.8 Å²	45.8	6%	0.058	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-67.9	132.6	178.7	30.5	-36.5	0	0	0	110.4	L205 D358 R359	L205-P215 WeakPolarHBondContact O-CD 3.27Å; P215-D358 HydrophobicContact CB-CB 3.73Å; P215-R359 HydrophobicContact CB-CB 3.9Å; P215-R359 HydrophobicContact CG-CB 4.41Å
216	R	94	Very high	87.7	Confident	52 Å²	52	45.7 Å²	45.7	20%	0.196	24%	0.244	C	C	.	.	S	Bend	trans	-83.2	-50.6	170.4	-178.1	-174.8	172.2	-83.3	-14.6	109.9	P214 I329 I330 G332 L335 P336 A339 V340 D358	P214-R216 PolarHBondContact O-N 2.85Å; R216-I329 PolarHBondContact NH1-O 3.15Å; R216-I329 PolarHBondContact NH2-O 3.23Å; R216-I330 PolarHBondContact NH1-O 3.19Å; R216-G332 VanDerWaalsContact CZ-CA 3.46Å; R216-G332 VanDerWaalsContact NH2-CA 3.32Å; R216-L335 PolarHBondContact NH2-O 3.04Å; R216-L335 VanDerWaalsContact NH2-O 3.16Å; R216-P336 WeakPolarHBondContact CD-O 3.31Å; R216-P336 PolarHBondContact NE-O 3.21Å; R216-A339 CarbonylContact O-C 3.5Å; R216-A339 WeakPolarHBondContact O-CA 3.47Å; R216-V340 PolarHBondContact O-N 2.78Å; R216-D358 WeakPolarHBondContact CA-OD2 3.44Å; R216-D358 VanDerWaalsContact CB-OD2 3.32Å; R216-D358 WeakPolarHBondContact CB-OD2 3.37Å; R216-D358 PolarHBondContact N-OD2 3.21Å
217	V	95.9	Very high	87.8	Confident	4 Å²	4	41.7 Å²	41.7	2%	0.024	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	112.5	-179.8	-176.2	0	0	0	0	110.2	V340 L356 D358 R359	V217-V340 WeakPolarHBondContact CA-O 3.34Å; V217-V340 HydrophobicContact CG2-CB 4.47Å; V217-L356 VanDerWaalsContact CB-O 3.27Å; V217-L356 WeakPolarHBondContact CB-O 3.38Å; V217-D358 PolarHBondContact N-OD2 2.9Å; V217-D358 PolarHBondContact O-N 3.46Å; V217-R359 PolarHBondContact O-N 3.4Å; V217-R359 VanDerWaalsContact O-N 3.11Å
218	S	96.2	Very high	88	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125.8	171.9	-61.4	0	0	0	0	109.9	V340 W341 V342 R359	S218-V340 PolarHBondContact N-O 3.21Å; S218-W341 CarbonylContact O-C 3.58Å; S218-W341 VanDerWaalsContact O-CA 3.32Å; S218-W341 WeakPolarHBondContact O-CA 3.24Å; S218-V342 PolarHBondContact O-N 2.93Å; S218-R359 CarbonylContact C-O 3.5Å; S218-R359 WeakPolarHBondContact CA-O 3.32Å
219	L	97	Very high	88.5	Confident	6 Å²	6	41.4 Å²	41.4	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.8	177.3	179.4	57.5	0	0	0	108.7	V221 V342 A349 I352 V357 R359 L360 T361	L219-V221 HydrophobicContact CG-CG1 4.23Å; L219-V342 CarbonylContact C-O 3.43Å; L219-V342 WeakPolarHBondContact CA-O 3.39Å; L219-V342 HydrophobicContact CD1-CB 3.93Å; L219-V342 HydrophobicContact CD1-CG1 4.02Å; L219-A349 HydrophobicContact CD1-CB 4.3Å; L219-A349 HydrophobicContact CD2-CB 4.15Å; L219-I352 HydrophobicContact CD1-CD1 4.19Å; L219-I352 HydrophobicContact CD2-CD1 4.29Å; L219-V357 HydrophobicContact CB-CG1 3.74Å; L219-V357 HydrophobicContact CB-CG2 4.41Å; L219-V357 HydrophobicContact CD2-CG1 4.37Å; L219-V357 HydrophobicContact CD2-CG2 3.98Å; L219-R359 PolarHBondContact N-O 3.41Å; L219-L360 HydrophobicContact CB-CD1 4.03Å; L219-L360 HydrophobicContact CD2-CD1 3.94Å; L219-L360 HydrophobicContact CG-CD1 3.84Å; L219-L360 CarbonylContact O-C 3.3Å; L219-L360 WeakPolarHBondContact O-CA 3.25Å; L219-T361 PolarHBondContact O-N 3.13Å; L219-T361 PolarHBondContact O-OG1 3.48Å
220	T	95.8	Very high	88.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.4	175.3	-62.4	0	0	0	0	110.2	L166 W341 V342 T343 S344 T361 I363	L166-T220 HydrophobicContact CD2-CG2 4.2Å; T220-W341 PolarHBondContact OG1-NE1 3.19Å; T220-V342 PolarHBondContact N-O 3.4Å; T220-T343 VanDerWaalsContact O-CA 3.31Å; T220-T343 WeakPolarHBondContact O-CA 3.33Å; T220-S344 PolarHBondContact O-N 3.01Å; T220-S344 VanDerWaalsContact O-N 3.11Å; T220-T361 CarbonylContact C-O 3.49Å; T220-T361 VanDerWaalsContact CA-O 3.3Å; T220-T361 WeakPolarHBondContact CA-O 3.35Å; T220-T361 PolarHBondContact OG1-OG1 3.35Å; T220-I363 HydrophobicContact CG2-CD1 3.71Å; T220-I363 HydrophobicContact CG2-CG1 3.38Å
221	V	94.8	Very high	89.7	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	153.3	179.9	-62.6	0	0	0	0	112.5	L172 L219 S344 P346 A349 L360 T361 E362 I363	L172-V221 HydrophobicContact CD2-CB 4.25Å; L172-V221 HydrophobicContact CD2-CG1 3.97Å; L172-V221 HydrophobicContact CD2-CG2 3.68Å; L219-V221 HydrophobicContact CG-CG1 4.23Å; V221-S344 WeakPolarHBondContact CA-O 3.47Å; V221-P346 HydrophobicContact CB-CG 4.32Å; V221-A349 HydrophobicContact CG1-CB 3.52Å; V221-L360 HydrophobicContact CG1-CD1 3.99Å; V221-L360 HydrophobicContact CG2-CD1 4.35Å; V221-T361 WeakPolarHBondContact CG2-O 3.47Å; V221-T361 PolarHBondContact N-O 2.65Å; V221-E362 HydrophobicContact CG2-CB 4.11Å; V221-E362 HydrophobicContact CG2-CG 4.32Å; V221-E362 WeakPolarHBondContact O-CA 3.39Å; V221-I363 PolarHBondContact O-N 3.33Å
222	G	92.3	Very high	90.6	Very high	2 Å²	2	24.2 Å²	24.2	2%	0.021	15%	0.147	C	C	.	.			trans	179.2	151.1	169.5	0	0	0	0	0	111.1	K228 S344	G222-K228 PolarHBondContact O-NZ 3.06Å; G222-S344 PolarHBondContact N-O 2.8Å
223	V	92.1	Very high	91.2	Very high	13 Å²	13	22.6 Å²	22.6	8%	0.079	14%	0.137	C	C	.	.			trans	-61.3	165.3	179.5	-63.9	0	0	0	0	112.3	D181 V185 I226 K228 M404	D181-V223 HydrophobicContact CB-CB 3.95Å; D181-V223 HydrophobicContact CB-CG1 4.02Å; D181-V223 WeakPolarHBondContact OD2-CA 3.16Å; V185-V223 HydrophobicContact CG2-CB 4.43Å; V185-V223 HydrophobicContact CG2-CG1 4.11Å; V185-V223 HydrophobicContact CG2-CG2 3.81Å; V223-I226 HydrophobicContact CG2-CB 4.11Å; V223-I226 HydrophobicContact CG2-CD1 4.08Å; V223-I226 HydrophobicContact CG2-CG1 4.38Å; V223-I226 WeakPolarHBondContact O-CB 3.49Å; V223-I226 WeakPolarHBondContact O-CG2 3.48Å; V223-I226 PolarHBondContact O-N 3.05Å; V223-K228 PolarHBondContact O-NZ 3.41Å; V223-M404 HydrophobicContact CG2-CG 3.85Å; V223-M404 HydrophobicContact CG2-SD 3.93Å
224	A	90.7	Very high	91.4	Very high	13 Å²	13	16.5 Å²	16.5	11%	0.107	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	141	174.2	0	0	0	0	0	110.6	D181 I226 H524 L525	D181-A224 WeakPolarHBondContact OD2-CB 3.3Å; D181-A224 PolarHBondContact OD2-N 3.21Å; A224-I226 PolarHBondContact O-N 2.88Å; A224-I226 VanDerWaalsContact O-N 3.1Å; A224-H524 VanDerWaalsContact C-NE2 3.29Å; A224-H524 PolarHBondContact O-NE2 3.35Å; A224-L525 HydrophobicContact CB-CB 4.42Å
225	G	88.3	Confident	91.6	Very high	23 Å²	23	13.3 Å²	13.3	24%	0.237	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	3.6	178.4	0	0	0	0	0	116.4	G227 P405 C406	G225-G227 VanDerWaalsContact C-N 3.29Å; G225-G227 PolarHBondContact O-N 3.44Å; G225-P405 WeakPolarHBondContact O-CD 3.47Å; G225-C406 WeakPolarHBondContact O-CB 3.11Å; G225-C406 PolarHBondContact O-N 2.78Å
226	I	89.6	Confident	91.6	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	8%	0.081	C	C	.	.	S	Bend	trans	-71.5	-22.7	179.8	-153.8	65.1	0	0	0	113.5	R164 V223 A224 K228 I363 G365 Y403 M404	R164-I226 PolarHBondContact NH1-O 2.91Å; V223-I226 HydrophobicContact CG2-CB 4.11Å; V223-I226 HydrophobicContact CG2-CD1 4.08Å; V223-I226 HydrophobicContact CG2-CG1 4.38Å; V223-I226 WeakPolarHBondContact O-CB 3.49Å; V223-I226 WeakPolarHBondContact O-CG2 3.48Å; V223-I226 PolarHBondContact O-N 3.05Å; A224-I226 PolarHBondContact O-N 2.88Å; A224-I226 VanDerWaalsContact O-N 3.1Å; I226-K228 HydrophobicContact CG2-CG 3.87Å; I226-I363 HydrophobicContact CG1-CG2 4.45Å; I226-I363 HydrophobicContact CG2-CB 4.3Å; I226-I363 HydrophobicContact CG2-CG2 4.43Å; I226-G365 VanDerWaalsContact CD1-CA 3.42Å; I226-Y403 HydrophobicContact CD1-CD1 3.94Å; I226-Y403 HydrophobicContact CD1-CE1 3.62Å; I226-M404 HydrophobicContact CD1-CG 4.19Å
227	G	88.6	Confident	91.4	Very high	7 Å²	7	11.9 Å²	11.9	7%	0.072	8%	0.077	C	C	.	.	S	Bend	trans	106.9	30.4	-179.5	0	0	0	0	0	115.7	G225 T230 L231	G225-G227 VanDerWaalsContact C-N 3.29Å; G225-G227 PolarHBondContact O-N 3.44Å; G227-T230 PolarHBondContact O-N 3.03Å; G227-L231 PolarHBondContact O-N 3.05Å
228	K	90.6	Very high	91.1	Very high	18 Å²	18	12.9 Å²	12.9	8%	0.078	8%	0.082	C	C	.	.	H	α-helix	trans	-55.5	-56.8	176.3	-65.7	-175.1	-63.3	-77.6	0	112.5	G222 V223 I226 T230 L231 V232 I363	G222-K228 PolarHBondContact O-NZ 3.06Å; V223-K228 PolarHBondContact O-NZ 3.41Å; I226-K228 HydrophobicContact CG2-CG 3.87Å; K228-T230 VanDerWaalsContact C-N 3.3Å; K228-T230 PolarHBondContact O-N 3.35Å; K228-L231 WeakPolarHBondContact O-CA 3.41Å; K228-L231 VanDerWaalsContact O-CB 3.29Å; K228-L231 WeakPolarHBondContact O-CB 3.44Å; K228-L231 PolarHBondContact O-N 2.87Å; K228-V232 PolarHBondContact O-N 3.49Å; K228-I363 HydrophobicContact CB-CD1 4.12Å; K228-I363 HydrophobicContact CG-CD1 3.73Å
229	S	88.8	Confident	90.9	Very high	60 Å²	60	13 Å²	13	42%	0.42	8%	0.083	S	C	.	.	H	α-helix	trans	-64.2	-34	179.2	-50.7	0	0	0	0	113	L231 V232 G233 D296	S229-L231 VanDerWaalsContact C-N 3.32Å; S229-L231 PolarHBondContact O-N 3.28Å; S229-V232 PolarHBondContact O-N 2.74Å; S229-G233 PolarHBondContact O-N 2.84Å; S229-D296 VanDerWaalsContact CA-OD2 3.24Å; S229-D296 WeakPolarHBondContact CA-OD2 3.44Å; S229-D296 WeakPolarHBondContact CB-OD2 3.41Å; S229-D296 PolarHBondContact OG-OD2 2.82Å
230	T	87.6	Confident	90.6	Very high	34 Å²	34	13 Å²	13	21%	0.209	8%	0.084	C	C	.	.	H	α-helix	trans	-63.4	-38.3	172.4	-48.6	0	0	0	0	111.6	C156 G227 K228 H234	C156-T230 HydrophobicContact CB-CG2 4.49Å; G227-T230 PolarHBondContact O-N 3.03Å; K228-T230 VanDerWaalsContact C-N 3.3Å; K228-T230 PolarHBondContact O-N 3.35Å; T230-H234 WeakPolarHBondContact O-CB 3.44Å; T230-H234 PolarHBondContact O-N 3.43Å
231	L	89	Confident	90.3	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-66	-42.8	174.8	-178.4	70.9	0	0	0	111.5	R164 L166 L201 G227 K228 S229 H234 F235 W341 I363	R164-L231 HydrophobicContact CB-CD1 4.39Å; L166-L231 HydrophobicContact CD2-CD2 3.65Å; L166-L231 HydrophobicContact CG-CD2 4.47Å; L201-L231 HydrophobicContact CD1-CD1 4.17Å; L201-L231 HydrophobicContact CD1-CG 4.43Å; L201-L231 HydrophobicContact CD2-CD1 3.96Å; G227-L231 PolarHBondContact O-N 3.05Å; K228-L231 WeakPolarHBondContact O-CA 3.41Å; K228-L231 VanDerWaalsContact O-CB 3.29Å; K228-L231 WeakPolarHBondContact O-CB 3.44Å; K228-L231 PolarHBondContact O-N 2.87Å; S229-L231 VanDerWaalsContact C-N 3.32Å; S229-L231 PolarHBondContact O-N 3.28Å; L231-H234 PolarHBondContact O-N 3.49Å; L231-F235 WeakPolarHBondContact O-CB 3.46Å; L231-F235 PolarHBondContact O-N 2.82Å; L231-W341 HydrophobicContact CD2-CH2 4.37Å; L231-W341 HydrophobicContact CD2-CZ2 4.08Å; L231-W341 HydrophobicContact CG-CH2 4.29Å; L231-W341 HydrophobicContact CG-CZ2 4.49Å; L231-I363 HydrophobicContact CB-CD1 4.16Å; L231-I363 HydrophobicContact CD2-CD1 3.52Å; L231-I363 HydrophobicContact CD2-CG1 3.93Å; L231-I363 HydrophobicContact CG-CD1 4.48Å
232	V	91.8	Very high	89.8	Confident	2 Å²	2	20.8 Å²	20.8	1%	0.012	12%	0.123	C	C	.	.	H	α-helix	trans	-60.6	-49.2	175.5	170.7	0	0	0	0	110.6	K228 S229 H234 F235 V236 I294 D296 W341 T343	K228-V232 PolarHBondContact O-N 3.49Å; S229-V232 PolarHBondContact O-N 2.74Å; V232-H234 VanDerWaalsContact C-N 3.29Å; V232-H234 PolarHBondContact O-N 3.04Å; V232-F235 WeakPolarHBondContact O-CB 3.48Å; V232-F235 PolarHBondContact O-N 3.04Å; V232-V236 HydrophobicContact CG1-CG2 4.4Å; V232-V236 WeakPolarHBondContact O-CG2 3.38Å; V232-V236 PolarHBondContact O-N 2.93Å; V232-I294 HydrophobicContact CG1-CD1 4.44Å; V232-I294 HydrophobicContact CG1-CG2 3.8Å; V232-I294 HydrophobicContact CG2-CG2 4.07Å; V232-D296 HydrophobicContact CG1-CB 4.48Å; V232-D296 HydrophobicContact CG2-CB 4.3Å; V232-W341 HydrophobicContact CG2-CH2 3.97Å; V232-W341 HydrophobicContact CG2-CZ2 4.33Å; V232-W341 HydrophobicContact CG2-CZ3 4.16Å; V232-T343 HydrophobicContact CG2-CG2 3.56Å
233	G	89.9	Confident	89.5	Confident	8 Å²	8	25.7 Å²	25.7	8%	0.082	15%	0.146	C	C	.	.	H	α-helix	trans	-60.8	-37.1	176.4	0	0	0	0	0	113	S229 R237	S229-G233 PolarHBondContact O-N 2.84Å; G233-R237 WeakPolarHBondContact O-CB 3.36Å; G233-R237 PolarHBondContact O-N 2.98Å
234	H	87.4	Confident	89.4	Confident	24 Å²	24	26 Å²	26	11%	0.111	15%	0.146	C	C	.	.	H	α-helix	trans	-65.6	-44.6	174.1	-175.7	-117.3	0	0	0	112.1	T230 L231 V232 R237 L238	T230-H234 WeakPolarHBondContact O-CB 3.44Å; T230-H234 PolarHBondContact O-N 3.43Å; L231-H234 PolarHBondContact O-N 3.49Å; V232-H234 VanDerWaalsContact C-N 3.29Å; V232-H234 PolarHBondContact O-N 3.04Å; H234-R237 PolarHBondContact O-N 2.88Å; H234-L238 VanDerWaalsContact CE1-CD1 3.47Å; H234-L238 WeakPolarHBondContact CE1-CD1 3.47Å; H234-L238 WeakPolarHBondContact O-CG 3.18Å; H234-L238 PolarHBondContact O-N 2.88Å
235	F	91.1	Very high	89.1	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58	-50.6	174.8	177.4	-85.1	0	0	0	111.4	L201 L231 V232 R237 L238 W239 I244 V251 L292 I294 W341	L201-F235 HydrophobicContact CD1-CD2 3.95Å; L201-F235 HydrophobicContact CD2-CB 4.1Å; L201-F235 HydrophobicContact CD2-CD2 4.18Å; L201-F235 HydrophobicContact CG-CD2 3.88Å; L231-F235 WeakPolarHBondContact O-CB 3.46Å; L231-F235 PolarHBondContact O-N 2.82Å; V232-F235 WeakPolarHBondContact O-CB 3.48Å; V232-F235 PolarHBondContact O-N 3.04Å; F235-R237 VanDerWaalsContact C-N 3.28Å; F235-R237 PolarHBondContact O-N 2.95Å; F235-L238 PolarHBondContact O-N 3.41Å; F235-W239 HydrophobicContact CE1-CB 4.42Å; F235-W239 PolarHBondContact O-N 3.2Å; F235-I244 HydrophobicContact CD2-CD1 3.45Å; F235-I244 VanDerWaalsContact CD2-CD1 3.45Å; F235-I244 HydrophobicContact CE2-CD1 3.59Å; F235-I244 HydrophobicContact CG-CD1 4.06Å; F235-I244 HydrophobicContact CZ-CD1 4.29Å; F235-V251 HydrophobicContact CE1-CG1 4.36Å; F235-V251 HydrophobicContact CE1-CG2 4.25Å; F235-L292 HydrophobicContact CD1-CD2 4.48Å; F235-L292 HydrophobicContact CE1-CD2 3.43Å; F235-L292 VanDerWaalsContact CE1-CD2 3.43Å; F235-L292 HydrophobicContact CZ-CD2 3.55Å; F235-I294 HydrophobicContact CD1-CD1 3.87Å; F235-I294 HydrophobicContact CE1-CD1 4.08Å; F235-W341 HydrophobicContact CB-CH2 3.99Å; F235-W341 HydrophobicContact CB-CZ3 3.68Å; F235-W341 HydrophobicContact CD1-CE3 4.44Å; F235-W341 AromaticContact CD1-CZ3 3.86Å; F235-W341 HydrophobicContact CD1-CZ3 3.86Å; F235-W341 HydrophobicContact CD2-CH2 4.45Å; F235-W341 AromaticContact CD2-CZ3 3.96Å; F235-W341 HydrophobicContact CD2-CZ3 3.96Å; F235-W341 HydrophobicContact CG-CE3 4.43Å; F235-W341 HydrophobicContact CG-CH2 4.21Å; F235-W341 AromaticContact CG-CZ3 3.55Å; F235-W341 HydrophobicContact CG-CZ3 3.55Å
236	V	92.1	Very high	88.8	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.7	-44.3	-179.8	171	0	0	0	0	110.2	L140 Y144 V232 W239 S240 V251 P253 I294	L140-V236 HydrophobicContact CB-CG1 4.08Å; L140-V236 HydrophobicContact CD1-CG1 4.01Å; L140-V236 HydrophobicContact CD2-CG1 4.41Å; L140-V236 HydrophobicContact CG-CG1 4.42Å; Y144-V236 HydrophobicContact CD2-CB 4.43Å; Y144-V236 HydrophobicContact CD2-CG1 3.69Å; Y144-V236 HydrophobicContact CE2-CG1 4Å; Y144-V236 HydrophobicContact CG-CG1 4.22Å; V232-V236 HydrophobicContact CG1-CG2 4.4Å; V232-V236 WeakPolarHBondContact O-CG2 3.38Å; V232-V236 PolarHBondContact O-N 2.93Å; V236-W239 PolarHBondContact O-N 2.77Å; V236-S240 WeakPolarHBondContact O-CB 3.43Å; V236-S240 PolarHBondContact O-N 3.43Å; V236-S240 PolarHBondContact O-OG 2.96Å; V236-S240 VanDerWaalsContact O-OG 3.05Å; V236-V251 HydrophobicContact CG2-CG1 4.21Å; V236-P253 HydrophobicContact CG2-CB 4.29Å; V236-P253 HydrophobicContact CG2-CG 4.36Å; V236-I294 HydrophobicContact CG2-CD1 4.06Å
237	R	89.7	Confident	88.4	Confident	31 Å²	31	33.4 Å²	33.4	12%	0.117	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-45.8	177.5	-169.2	-174	-62	137.5	0.1	113	L141 Y144 P145 G233 H234 F235 S240 R241	L141-R237 HydrophobicContact CD2-CG 4.22Å; Y144-R237 PolarHBondContact O-NE 3.47Å; P145-R237 PolarHBondContact O-NH2 3.37Å; G233-R237 WeakPolarHBondContact O-CB 3.36Å; G233-R237 PolarHBondContact O-N 2.98Å; H234-R237 PolarHBondContact O-N 2.88Å; F235-R237 VanDerWaalsContact C-N 3.28Å; F235-R237 PolarHBondContact O-N 2.95Å; R237-S240 PolarHBondContact O-N 3.28Å; R237-R241 WeakPolarHBondContact O-CG 3.45Å; R237-R241 PolarHBondContact O-N 3.05Å; R237-R241 VanDerWaalsContact O-N 3.12Å
238	L	88.8	Confident	88.4	Confident	25 Å²	25	33.3 Å²	33.3	13%	0.131	18%	0.182	C	C	.	.	H	α-helix	trans	-64.3	-41.6	179	-70.4	177	0	0	0	111.5	L201 H234 F235 R241 G242 E243 I244	L201-L238 HydrophobicContact CD2-CD1 4.43Å; H234-L238 VanDerWaalsContact CE1-CD1 3.47Å; H234-L238 WeakPolarHBondContact CE1-CD1 3.47Å; H234-L238 WeakPolarHBondContact O-CG 3.18Å; H234-L238 PolarHBondContact O-N 2.88Å; F235-L238 PolarHBondContact O-N 3.41Å; L238-R241 PolarHBondContact O-N 2.92Å; L238-G242 PolarHBondContact O-N 3.11Å; L238-E243 HydrophobicContact CB-CB 4.44Å; L238-E243 HydrophobicContact CD2-CB 4.32Å; L238-E243 WeakPolarHBondContact CD2-OE2 3.44Å; L238-E243 PolarHBondContact O-N 2.82Å; L238-I244 HydrophobicContact CB-CD1 3.65Å; L238-I244 HydrophobicContact CB-CG1 3.74Å; L238-I244 HydrophobicContact CB-CG2 4.3Å; L238-I244 HydrophobicContact CD1-CD1 4.15Å; L238-I244 HydrophobicContact CD1-CG2 4.35Å
239	W	92	Very high	88.3	Confident	3 Å²	3	32.7 Å²	32.7	1%	0.011	18%	0.18	C	C	.	.	H	α-helix	trans	-64.8	-43.2	175.5	177	81	0	0	0	111.7	H136 K137 L140 F235 V236 R241 G242 I244 V248 S249 V251	H136-W239 AromaticContact CD2-CH2 3.87Å; H136-W239 AromaticContact CD2-CZ3 4Å; K137-W239 HydrophobicContact CG-CE3 4.36Å; K137-W239 HydrophobicContact CG-CH2 3.89Å; K137-W239 HydrophobicContact CG-CZ3 3.7Å; L140-W239 HydrophobicContact CD1-CE3 4.36Å; L140-W239 HydrophobicContact CD1-CZ3 3.93Å; F235-W239 HydrophobicContact CE1-CB 4.42Å; F235-W239 PolarHBondContact O-N 3.2Å; V236-W239 PolarHBondContact O-N 2.77Å; W239-R241 PolarHBondContact O-N 2.62Å; W239-G242 WeakPolarHBondContact O-CA 3.38Å; W239-G242 PolarHBondContact O-N 3.37Å; W239-I244 HydrophobicContact CB-CG1 4.21Å; W239-V248 PolarHBondContact NE1-O 3.15Å; W239-V248 VanDerWaalsContact NE1-O 3.1Å; W239-S249 WeakPolarHBondContact CZ2-O 3.32Å; W239-V251 HydrophobicContact CB-CG2 4.48Å; W239-V251 HydrophobicContact CD2-CB 3.93Å; W239-V251 HydrophobicContact CD2-CG2 3.33Å; W239-V251 VanDerWaalsContact CE2-CG2 3.44Å; W239-V251 HydrophobicContact CE3-CB 3.82Å; W239-V251 HydrophobicContact CE3-CG2 3.78Å; W239-V251 HydrophobicContact CG-CG2 3.64Å; W239-V251 HydrophobicContact CH2-CB 4.33Å; W239-V251 HydrophobicContact CH2-CG2 4.37Å; W239-V251 HydrophobicContact CZ2-CB 4.41Å; W239-V251 HydrophobicContact CZ2-CG2 3.97Å; W239-V251 HydrophobicContact CZ3-CB 4.04Å; W239-V251 HydrophobicContact CZ3-CG2 4.28Å
240	S	91.4	Very high	88.4	Confident	7 Å²	7	29.9 Å²	29.9	5%	0.049	16%	0.16	C	C	.	.	H	α-helix	trans	-63.8	-27.8	178.3	-63.1	0	0	0	0	113.2	K137 V236 R237 G242	K137-S240 WeakPolarHBondContact CD-O 3.49Å; V236-S240 WeakPolarHBondContact O-CB 3.43Å; V236-S240 PolarHBondContact O-N 3.43Å; V236-S240 PolarHBondContact O-OG 2.96Å; V236-S240 VanDerWaalsContact O-OG 3.05Å; R237-S240 PolarHBondContact O-N 3.28Å; S240-G242 VanDerWaalsContact C-N 3.31Å
241	R	89.1	Confident	88.7	Confident	130 Å²	130	28.3 Å²	28.3	49%	0.491	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-7.9	171.7	-68.7	175.4	-179.8	-175.1	-4	114	L141 R237 L238 W239 E243	L141-R241 HydrophobicContact CD2-CG 4.4Å; R237-R241 WeakPolarHBondContact O-CG 3.45Å; R237-R241 PolarHBondContact O-N 3.05Å; R237-R241 VanDerWaalsContact O-N 3.12Å; L238-R241 PolarHBondContact O-N 2.92Å; W239-R241 PolarHBondContact O-N 2.62Å; R241-E243 HydrophobicContact CB-CG 3.97Å; R241-E243 WeakPolarHBondContact CD-OE1 3.39Å; R241-E243 IonicContact NH1-OE1 2.88Å
242	G	84.7	Confident	88.9	Confident	33 Å²	33	28.2 Å²	28.2	34%	0.34	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	20.5	-176.1	0	0	0	0	0	114.3	L238 W239 S240	L238-G242 PolarHBondContact O-N 3.11Å; W239-G242 WeakPolarHBondContact O-CA 3.38Å; W239-G242 PolarHBondContact O-N 3.37Å; S240-G242 VanDerWaalsContact C-N 3.31Å
243	E	86.9	Confident	89.1	Confident	106 Å²	106	28.8 Å²	28.8	50%	0.495	15%	0.154	S	C	.	.	S	Bend	trans	-83.4	-25.9	-177.5	-63.6	179.1	-140.5	0	0	113.1	L238 R241	L238-E243 HydrophobicContact CB-CB 4.44Å; L238-E243 HydrophobicContact CD2-CB 4.32Å; L238-E243 WeakPolarHBondContact CD2-OE2 3.44Å; L238-E243 PolarHBondContact O-N 2.82Å; R241-E243 HydrophobicContact CB-CG 3.97Å; R241-E243 WeakPolarHBondContact CD-OE1 3.39Å; R241-E243 IonicContact NH1-OE1 2.88Å
244	I	88.7	Confident	89.2	Confident	19 Å²	19	28.9 Å²	28.9	10%	0.097	15%	0.152	C	C	.	.	S	Bend	trans	-137.2	158.2	-178.4	65.4	174.6	0	0	0	111.7	A202 F235 L238 W239 T246	A202-I244 HydrophobicContact CB-CB 4.25Å; A202-I244 HydrophobicContact CB-CG2 3.85Å; F235-I244 HydrophobicContact CD2-CD1 3.45Å; F235-I244 VanDerWaalsContact CD2-CD1 3.45Å; F235-I244 HydrophobicContact CE2-CD1 3.59Å; F235-I244 HydrophobicContact CG-CD1 4.06Å; F235-I244 HydrophobicContact CZ-CD1 4.29Å; L238-I244 HydrophobicContact CB-CD1 3.65Å; L238-I244 HydrophobicContact CB-CG1 3.74Å; L238-I244 HydrophobicContact CB-CG2 4.3Å; L238-I244 HydrophobicContact CD1-CD1 4.15Å; L238-I244 HydrophobicContact CD1-CG2 4.35Å; W239-I244 HydrophobicContact CB-CG1 4.21Å; I244-T246 VanDerWaalsContact C-N 3.33Å; I244-T246 PolarHBondContact O-N 3.11Å
245	C	84.6	Confident	89.3	Confident	14 Å²	14	28.5 Å²	28.5	10%	0.095	15%	0.153	C	C	.	.			trans	47.7	49.8	174.3	-59.4	0	0	0	0	113.4	D247 V248	C245-D247 WeakPolarHBondContact CA-OD1 3.45Å; C245-D247 PolarHBondContact O-N 3.02Å; C245-D247 VanDerWaalsContact O-N 3.15Å; C245-V248 HydrophobicContact CB-CB 4.42Å; C245-V248 HydrophobicContact CB-CG2 4.11Å; C245-V248 PolarHBondContact O-N 2.85Å; C245-V248 VanDerWaalsContact O-N 3.07Å
246	T	81.4	Confident	89.3	Confident	116 Å²	116	28.5 Å²	28.5	71%	0.712	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.9	-177.4	53.3	0	0	0	0	113.5	I244	I244-T246 VanDerWaalsContact C-N 3.33Å; I244-T246 PolarHBondContact O-N 3.11Å
247	D	82.4	Confident	89.1	Confident	63 Å²	63	29.6 Å²	29.6	34%	0.337	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-19.8	174.6	59.1	-33.5	0	0	0	113.7	R55 C245 R290	R55-D247 PolarHBondContact NH2-O 3.18Å; C245-D247 WeakPolarHBondContact CA-OD1 3.45Å; C245-D247 PolarHBondContact O-N 3.02Å; C245-D247 VanDerWaalsContact O-N 3.15Å; D247-R290 IonicContact OD2-CZ 2.77Å; D247-R290 IonicContact OD2-NE 3.55Å; D247-R290 IonicContact OD2-NH1 3.14Å; D247-R290 PolarHBondContact OD2-NH1 2.81Å; D247-R290 IonicContact OD2-NH2 3.47Å
248	V	88.3	Confident	89	Confident	5 Å²	5	30.1 Å²	30.1	3%	0.03	16%	0.161	C	C	.	.			trans	-88.3	120.6	178.1	179.3	0	0	0	0	110.4	L205 W239 C245 F250 V251 R290 L292	L205-V248 HydrophobicContact CD1-CG2 4.14Å; W239-V248 PolarHBondContact NE1-O 3.15Å; W239-V248 VanDerWaalsContact NE1-O 3.1Å; C245-V248 HydrophobicContact CB-CB 4.42Å; C245-V248 HydrophobicContact CB-CG2 4.11Å; C245-V248 PolarHBondContact O-N 2.85Å; C245-V248 VanDerWaalsContact O-N 3.07Å; V248-F250 WeakPolarHBondContact CG1-O 3.48Å; V248-V251 HydrophobicContact CG1-CG2 4.09Å; V248-R290 HydrophobicContact CG2-CG 4.4Å; V248-L292 HydrophobicContact CG1-CB 3.96Å
249	S	88	Confident	89	Confident	4 Å²	4	29.6 Å²	29.6	3%	0.028	16%	0.158	C	C	.	.	S	Bend	trans	-78.3	-38.4	-178.8	-65.5	0	0	0	0	113.1	H129 V133 W239 R290	H129-S249 WeakPolarHBondContact NE2-CB 3.16Å; H129-S249 PolarHBondContact NE2-OG 3.47Å; V133-S249 WeakPolarHBondContact CG2-O 3.42Å; W239-S249 WeakPolarHBondContact CZ2-O 3.32Å; S249-R290 PolarHBondContact N-O 2.85Å
250	F	91	Very high	88.7	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	133.8	-178.7	-63.3	-73.8	0	0	0	111.5	V133 V248 M278 V284 C289 R290 T291 L292	V133-F250 HydrophobicContact CG2-CE1 3.98Å; V133-F250 HydrophobicContact CG2-CZ 4.06Å; V248-F250 WeakPolarHBondContact CG1-O 3.48Å; F250-M278 HydrophobicContact CE2-CE 4.46Å; F250-M278 HydrophobicContact CZ-CE 4.41Å; F250-V284 HydrophobicContact CD2-CG2 4Å; F250-V284 HydrophobicContact CG-CG2 4.43Å; F250-C289 HydrophobicContact CD2-CB 3.87Å; F250-C289 HydrophobicContact CE2-CB 3.83Å; F250-R290 PolarHBondContact N-O 2.99Å; F250-T291 HydrophobicContact CB-CG2 4.09Å; F250-T291 CarbonylContact O-C 3.55Å; F250-T291 WeakPolarHBondContact O-CA 3.46Å; F250-L292 PolarHBondContact O-N 2.99Å
251	V	94.1	Very high	88	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.8	169.1	173.2	0	0	0	0	108.4	H136 F235 V236 W239 V248 P253 L292 I294	H136-V251 PolarHBondContact NE2-O 2.87Å; F235-V251 HydrophobicContact CE1-CG1 4.36Å; F235-V251 HydrophobicContact CE1-CG2 4.25Å; V236-V251 HydrophobicContact CG2-CG1 4.21Å; W239-V251 HydrophobicContact CB-CG2 4.48Å; W239-V251 HydrophobicContact CD2-CB 3.93Å; W239-V251 HydrophobicContact CD2-CG2 3.33Å; W239-V251 VanDerWaalsContact CE2-CG2 3.44Å; W239-V251 HydrophobicContact CE3-CB 3.82Å; W239-V251 HydrophobicContact CE3-CG2 3.78Å; W239-V251 HydrophobicContact CG-CG2 3.64Å; W239-V251 HydrophobicContact CH2-CB 4.33Å; W239-V251 HydrophobicContact CH2-CG2 4.37Å; W239-V251 HydrophobicContact CZ2-CB 4.41Å; W239-V251 HydrophobicContact CZ2-CG2 3.97Å; W239-V251 HydrophobicContact CZ3-CB 4.04Å; W239-V251 HydrophobicContact CZ3-CG2 4.28Å; V248-V251 HydrophobicContact CG1-CG2 4.09Å; V251-P253 WeakPolarHBondContact O-CD 3.35Å; V251-L292 WeakPolarHBondContact CA-O 3.32Å; V251-L292 HydrophobicContact CG1-CD2 4.45Å; V251-L292 HydrophobicContact CG2-CB 4.23Å; V251-L292 HydrophobicContact CG2-CD2 4.23Å; V251-I294 HydrophobicContact CG1-CD1 3.57Å; V251-I294 HydrophobicContact CG1-CG1 4.23Å
252	L	94.4	Very high	87.2	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	94.4	-176.6	-55.6	179.4	0	0	0	109	F254 V271 A274 V284 T291 L292 L293 I294	L252-F254 HydrophobicContact CB-CE2 3.8Å; L252-F254 HydrophobicContact CB-CZ 4.17Å; L252-F254 WeakPolarHBondContact O-CD2 3.42Å; L252-F254 WeakPolarHBondContact O-CE2 3.47Å; L252-V271 HydrophobicContact CD1-CG1 4.18Å; L252-V271 HydrophobicContact CD1-CG2 4.17Å; L252-A274 HydrophobicContact CB-CB 3.95Å; L252-A274 HydrophobicContact CD2-CB 3.87Å; L252-A274 HydrophobicContact CG-CB 4.38Å; L252-V284 HydrophobicContact CD1-CG1 4.23Å; L252-T291 HydrophobicContact CD1-CG2 3.89Å; L252-T291 HydrophobicContact CG-CG2 4.11Å; L252-L292 PolarHBondContact N-O 3.26Å; L252-L293 HydrophobicContact CB-CD2 4.18Å; L252-L293 HydrophobicContact CD1-CD2 4.04Å; L252-I294 PolarHBondContact O-N 3.42Å
253	P	94.1	Very high	87	Confident	13 Å²	13	36.7 Å²	36.7	8%	0.084	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	136.4	178.3	32.9	-32.3	0	0	0	112	L140 Y144 V236 V251 I294	L140-P253 HydrophobicContact CD2-CG 3.91Å; Y144-P253 HydrophobicContact CE2-CG 4.06Å; V236-P253 HydrophobicContact CG2-CB 4.29Å; V236-P253 HydrophobicContact CG2-CG 4.36Å; V251-P253 WeakPolarHBondContact O-CD 3.35Å; P253-I294 HydrophobicContact CB-CB 4.43Å
254	F	92.1	Very high	87.2	Confident	10 Å²	10	38 Å²	38	4%	0.044	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.8	174.9	-58.9	-79.2	0	0	0	109.3	L252 L259 L270 A274 L293 I294 F295 D296	L252-F254 HydrophobicContact CB-CE2 3.8Å; L252-F254 HydrophobicContact CB-CZ 4.17Å; L252-F254 WeakPolarHBondContact O-CD2 3.42Å; L252-F254 WeakPolarHBondContact O-CE2 3.47Å; F254-L259 HydrophobicContact CB-CD1 4.48Å; F254-L270 HydrophobicContact CD1-CD1 3.78Å; F254-L270 HydrophobicContact CE1-CD1 3.5Å; F254-L270 VanDerWaalsContact CE1-CD1 3.5Å; F254-L270 HydrophobicContact CE1-CG 3.88Å; F254-L270 VanDerWaalsContact CE1-O 3.3Å; F254-L270 WeakPolarHBondContact CE1-O 3.36Å; F254-L270 HydrophobicContact CE2-CD1 4.29Å; F254-L270 HydrophobicContact CE2-CD2 4.43Å; F254-L270 HydrophobicContact CE2-CG 4.1Å; F254-L270 HydrophobicContact CG-CD1 4.27Å; F254-L270 HydrophobicContact CZ-CD1 3.78Å; F254-L270 HydrophobicContact CZ-CD2 4.43Å; F254-L270 HydrophobicContact CZ-CG 3.63Å; F254-L270 VanDerWaalsContact CZ-O 3.29Å; F254-L270 WeakPolarHBondContact CZ-O 3.18Å; F254-A274 HydrophobicContact CE1-CB 3.58Å; F254-A274 HydrophobicContact CE2-CB 4.32Å; F254-A274 HydrophobicContact CZ-CB 3.45Å; F254-A274 VanDerWaalsContact CZ-CB 3.45Å; F254-L293 HydrophobicContact CE2-CD2 3.91Å; F254-I294 PolarHBondContact N-O 2.82Å; F254-F295 HydrophobicContact CB-CD1 4Å; F254-F295 HydrophobicContact CB-CE1 4.24Å; F254-F295 HydrophobicContact CD2-CD1 4.36Å; F254-F295 HydrophobicContact CD2-CE1 4.02Å; F254-F295 HydrophobicContact CG-CE1 4.33Å; F254-F295 WeakPolarHBondContact O-CA 3.44Å; F254-D296 PolarHBondContact O-N 2.87Å
255	A	90.8	Very high	87.4	Confident	16 Å²	16	37.9 Å²	37.9	13%	0.132	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	133.3	167.6	0	0	0	0	0	109.6	W257 E258 L259	A255-W257 HydrophobicContact CB-CG 4.33Å; A255-W257 PolarHBondContact O-N 3.24Å; A255-E258 HydrophobicContact CB-CG 4.12Å; A255-E258 PolarHBondContact N-OE2 2.91Å; A255-E258 WeakPolarHBondContact O-CB 3.42Å; A255-E258 PolarHBondContact O-N 3.4Å; A255-L259 PolarHBondContact O-N 3.4Å
256	F	91.4	Very high	87.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61	-28.8	-178.4	-90	-76.5	0	0	0	113.2	E258 L259 N260 F295 D296 G297 L298 F301 V326 V342	F256-E258 VanDerWaalsContact C-N 3.29Å; F256-E258 PolarHBondContact O-N 3.07Å; F256-L259 HydrophobicContact CD1-CD1 4.18Å; F256-L259 PolarHBondContact O-N 3.28Å; F256-N260 PolarHBondContact O-N 3.14Å; F256-F295 HydrophobicContact CD2-CB 4.21Å; F256-F295 HydrophobicContact CE2-CB 3.46Å; F256-F295 VanDerWaalsContact CE2-CB 3.46Å; F256-F295 HydrophobicContact CE2-CG 4.37Å; F256-F295 HydrophobicContact CZ-CB 3.77Å; F256-F295 HydrophobicContact CZ-CD1 4.37Å; F256-F295 HydrophobicContact CZ-CG 4.23Å; F256-D296 WeakPolarHBondContact CD2-O 3.32Å; F256-D296 PolarHBondContact N-O 2.92Å; F256-G297 VanDerWaalsContact CB-O 3.31Å; F256-G297 WeakPolarHBondContact CB-O 3.24Å; F256-G297 VanDerWaalsContact CD2-C 3.43Å; F256-L298 HydrophobicContact CD1-CD1 4.26Å; F256-L298 HydrophobicContact CD2-CB 4.02Å; F256-L298 HydrophobicContact CD2-CD1 4.43Å; F256-L298 HydrophobicContact CE1-CD1 3.63Å; F256-L298 VanDerWaalsContact CE2-CA 3.43Å; F256-L298 HydrophobicContact CE2-CB 3.6Å; F256-L298 HydrophobicContact CE2-CD1 3.77Å; F256-L298 HydrophobicContact CE2-CG 4.28Å; F256-L298 HydrophobicContact CZ-CB 4.12Å; F256-L298 HydrophobicContact CZ-CD1 3.34Å; F256-L298 HydrophobicContact CZ-CG 4.29Å; F256-F301 HydrophobicContact CB-CB 4.06Å; F256-F301 HydrophobicContact CD1-CB 3.64Å; F256-F301 HydrophobicContact CD1-CD1 4.22Å; F256-F301 AromaticContact CD1-CD2 3.69Å; F256-F301 HydrophobicContact CD1-CD2 3.69Å; F256-F301 HydrophobicContact CD1-CE2 4.44Å; F256-F301 AromaticContact CD1-CG 3.59Å; F256-F301 HydrophobicContact CD1-CG 3.59Å; F256-F301 HydrophobicContact CE1-CB 4.36Å; F256-F301 HydrophobicContact CE1-CD1 4.33Å; F256-F301 HydrophobicContact CE1-CD2 4.47Å; F256-F301 HydrophobicContact CE1-CG 4.15Å; F256-F301 HydrophobicContact CG-CB 4.07Å; F256-F301 HydrophobicContact CG-CG 4.46Å; F256-V326 HydrophobicContact CE1-CG1 4.05Å; F256-V326 HydrophobicContact CE1-CG2 4.25Å; F256-V326 HydrophobicContact CZ-CG1 4.09Å; F256-V342 HydrophobicContact CE2-CG1 4.36Å
257	W	87.6	Confident	88.3	Confident	24 Å²	24	32 Å²	32	9%	0.091	17%	0.17	C	C	.	.	H	α-helix	trans	-66.8	-28.9	176.3	71	-100.4	0	0	0	113.4	A255 N260 E300 T484 E512 C517 A519	A255-W257 HydrophobicContact CB-CG 4.33Å; A255-W257 PolarHBondContact O-N 3.24Å; W257-N260 WeakPolarHBondContact O-CB 3.43Å; W257-E300 HydrophobicContact CB-CB 4.38Å; W257-E300 VanDerWaalsContact CD1-OE2 3.25Å; W257-T484 HydrophobicContact CB-CG2 3.95Å; W257-E512 HydrophobicContact CH2-CB 4.13Å; W257-E512 HydrophobicContact CZ2-CB 3.88Å; W257-E512 PolarHBondContact NE1-OE2 3.07Å; W257-C517 WeakPolarHBondContact CZ3-SG 3.49Å; W257-A519 HydrophobicContact CD2-CB 4.22Å; W257-A519 HydrophobicContact CE3-CB 3.51Å; W257-A519 HydrophobicContact CZ3-CB 3.67Å
258	E	88.1	Confident	88.7	Confident	42 Å²	42	31 Å²	31	20%	0.196	16%	0.163	C	C	.	.	H	α-helix	trans	-70.3	-38.5	175.4	-63.7	174.3	145.9	0	0	110.5	A255 F256 N260 T261 S514	A255-E258 HydrophobicContact CB-CG 4.12Å; A255-E258 PolarHBondContact N-OE2 2.91Å; A255-E258 WeakPolarHBondContact O-CB 3.42Å; A255-E258 PolarHBondContact O-N 3.4Å; F256-E258 VanDerWaalsContact C-N 3.29Å; F256-E258 PolarHBondContact O-N 3.07Å; E258-N260 PolarHBondContact O-N 2.79Å; E258-T261 WeakPolarHBondContact O-CG2 3.37Å; E258-T261 PolarHBondContact O-N 3.17Å; E258-T261 PolarHBondContact O-OG1 3.07Å; E258-S514 WeakPolarHBondContact OE1-CB 3.27Å
259	L	88.6	Confident	88.8	Confident	13 Å²	13	37.3 Å²	37.3	7%	0.068	19%	0.187	C	C	.	.	H	α-helix	trans	-65.7	-21	179.6	-61.9	-178.3	0	0	0	113.1	F254 A255 F256 T261 G262 L270 F295 F301 V322 V326	F254-L259 HydrophobicContact CB-CD1 4.48Å; A255-L259 PolarHBondContact O-N 3.4Å; F256-L259 HydrophobicContact CD1-CD1 4.18Å; F256-L259 PolarHBondContact O-N 3.28Å; L259-T261 PolarHBondContact O-N 3.19Å; L259-G262 PolarHBondContact O-N 3.22Å; L259-L270 HydrophobicContact CD2-CD1 3.88Å; L259-F295 HydrophobicContact CD1-CD1 4.12Å; L259-F295 HydrophobicContact CD1-CE1 4.09Å; L259-F301 HydrophobicContact CB-CE2 4.35Å; L259-V322 HydrophobicContact CB-CG1 3.96Å; L259-V326 HydrophobicContact CD1-CG2 4.46Å
260	N	84.4	Confident	88.9	Confident	25 Å²	25	37.2 Å²	37.2	13%	0.134	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-8.1	175.9	-72.4	-36.6	0	0	0	114.5	F256 W257 E258 E300 F301 R302	F256-N260 PolarHBondContact O-N 3.14Å; W257-N260 WeakPolarHBondContact O-CB 3.43Å; E258-N260 PolarHBondContact O-N 2.79Å; N260-E300 PolarHBondContact ND2-O 2.85Å; N260-F301 VanDerWaalsContact OD1-CD2 3.25Å; N260-F301 WeakPolarHBondContact OD1-CD2 3.39Å; N260-R302 HydrophobicContact CB-CG 4.24Å; N260-R302 WeakPolarHBondContact OD1-CB 3.3Å; N260-R302 WeakPolarHBondContact OD1-CG 3.42Å; N260-R302 PolarHBondContact OD1-N 3.38Å
261	T	76.8	Confident	88.8	Confident	88 Å²	88	37.1 Å²	37.1	54%	0.54	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-22.7	-178.5	57.5	0	0	0	0	114	E258 L259 C517	E258-T261 WeakPolarHBondContact O-CG2 3.37Å; E258-T261 PolarHBondContact O-N 3.17Å; E258-T261 PolarHBondContact O-OG1 3.07Å; L259-T261 PolarHBondContact O-N 3.19Å; T261-C517 HydrophobicContact CG2-CB 3.52Å; T261-C517 VanDerWaalsContact CG2-SG 3.51Å
262	G	72.1	Confident	88.5	Confident	32 Å²	32	41.4 Å²	41.4	33%	0.33	20%	0.204	S	C	.	.			trans	-100.9	132.2	-179.8	0	0	0	0	0	111.9	L259 V322	L259-G262 PolarHBondContact O-N 3.22Å; G262-V322 WeakPolarHBondContact O-CG2 3.49Å
263	E	80.8	Confident	88.1	Confident	177 Å²	177	46 Å²	46	83%	0.827	23%	0.228	S	C	*	.	S	Bend	trans	-76.4	-38.9	169.3	-70.3	-173.6	170.7	0	0	111.5	S321	E263-S321 WeakPolarHBondContact O-CA 3.47Å
264	K	92	Very high	87.6	Confident	135 Å²	135	46.3 Å²	46.3	59%	0.587	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	142.1	179.4	-65.7	-177.5	-179.7	177.3	0	111.5	E319 V320	K264-E319 HydrophobicContact CB-CB 4.43Å; K264-V320 CarbonylContact C-O 3.27Å; K264-V320 WeakPolarHBondContact CA-O 3.4Å; K264-V320 WeakPolarHBondContact CB-O 3.29Å
265	L	92.1	Very high	87.3	Confident	15 Å²	15	46.1 Å²	46.1	8%	0.079	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	150.2	-179.5	-162.2	72.8	0	0	0	110.2	R269 L270 L273 V320 V322 L325	L265-R269 HydrophobicContact CD1-CB 3.99Å; L265-R269 HydrophobicContact CD1-CG 3.83Å; L265-R269 HydrophobicContact CG-CB 4.44Å; L265-L270 HydrophobicContact CD2-CB 3.87Å; L265-L270 HydrophobicContact CD2-CD1 3.67Å; L265-L270 HydrophobicContact CD2-CG 4.35Å; L265-L273 HydrophobicContact CD1-CD1 3.91Å; L265-L273 HydrophobicContact CD2-CD1 4.03Å; L265-V320 PolarHBondContact N-O 3.21Å; L265-V320 PolarHBondContact O-N 3.35Å; L265-V320 VanDerWaalsContact O-N 3.13Å; L265-V322 HydrophobicContact CB-CG2 4.1Å; L265-L325 HydrophobicContact CB-CD2 3.92Å; L265-L325 HydrophobicContact CD2-CD2 3.93Å; L265-L325 HydrophobicContact CG-CD2 4.15Å
266	S	93.9	Very high	86.7	Confident	8 Å²	8	49.8 Å²	49.8	6%	0.056	25%	0.254	C	S	.	.			trans	-104.9	158.6	170.1	68.4	0	0	0	0	110.9	E268 R269 L270 P316 K317 K318	S266-E268 VanDerWaalsContact C-N 3.29Å; S266-E268 PolarHBondContact O-N 3.17Å; S266-R269 PolarHBondContact O-N 3.31Å; S266-R269 VanDerWaalsContact O-N 3.15Å; S266-R269 WeakPolarHBondContact OG-CB 3.5Å; S266-R269 PolarHBondContact OG-N 3.02Å; S266-L270 PolarHBondContact O-N 3.48Å; S266-P316 WeakPolarHBondContact CB-O 3.42Å; S266-K317 WeakPolarHBondContact CB-O 3.4Å; S266-K318 WeakPolarHBondContact CA-O 3.4Å; S266-K318 VanDerWaalsContact CB-O 3.3Å; S266-K318 WeakPolarHBondContact CB-O 3.36Å
267	A	91.6	Very high	85.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.2	-36.4	178.2	0	0	0	0	0	112.1	R269 L270 V271 P316 L325 L335	A267-R269 VanDerWaalsContact C-N 3.34Å; A267-R269 PolarHBondContact O-N 3.03Å; A267-L270 WeakPolarHBondContact O-CB 3.01Å; A267-L270 PolarHBondContact O-N 2.74Å; A267-V271 WeakPolarHBondContact O-CG2 3.4Å; A267-V271 PolarHBondContact O-N 2.85Å; A267-V271 VanDerWaalsContact O-N 3.12Å; A267-P316 HydrophobicContact CB-CB 4.04Å; A267-P316 PolarHBondContact N-O 2.93Å; A267-L325 HydrophobicContact CB-CD1 4.22Å; A267-L335 HydrophobicContact CB-CD1 4.49Å
268	E	91.3	Very high	85.5	Confident	41 Å²	41	55.8 Å²	55.8	19%	0.192	28%	0.282	C	S	.	.	H	α-helix	trans	-60.2	-44.3	173.5	-176.5	-176.6	174	0	0	111.5	S266 V271 K272 P281 L285 P316 K317	S266-E268 VanDerWaalsContact C-N 3.29Å; S266-E268 PolarHBondContact O-N 3.17Å; E268-V271 PolarHBondContact O-N 3.28Å; E268-K272 PolarHBondContact O-N 2.92Å; E268-K272 WeakPolarHBondContact OE1-CE 3.29Å; E268-K272 IonicContact OE1-NZ 3.42Å; E268-K272 PolarHBondContact OE1-NZ 3.34Å; E268-P281 HydrophobicContact CG-CB 4.22Å; E268-P281 HydrophobicContact CG-CG 4.37Å; E268-L285 HydrophobicContact CB-CD1 3.98Å; E268-L285 HydrophobicContact CG-CD1 4.08Å; E268-P316 PolarHBondContact N-O 3.3Å; E268-K317 WeakPolarHBondContact OE2-CG 3.41Å
269	R	89.3	Confident	84.7	Confident	138 Å²	138	59.1 Å²	59.1	52%	0.521	31%	0.306	S	S	.	.	H	α-helix	trans	-71.2	-33.6	-179.5	-163.8	164.6	-179.5	172.7	-1.1	111.8	L265 S266 A267 K272 L273 E319	L265-R269 HydrophobicContact CD1-CB 3.99Å; L265-R269 HydrophobicContact CD1-CG 3.83Å; L265-R269 HydrophobicContact CG-CB 4.44Å; S266-R269 PolarHBondContact O-N 3.31Å; S266-R269 VanDerWaalsContact O-N 3.15Å; S266-R269 WeakPolarHBondContact OG-CB 3.5Å; S266-R269 PolarHBondContact OG-N 3.02Å; A267-R269 VanDerWaalsContact C-N 3.34Å; A267-R269 PolarHBondContact O-N 3.03Å; R269-K272 PolarHBondContact O-N 2.9Å; R269-L273 WeakPolarHBondContact O-CG 3.44Å; R269-L273 PolarHBondContact O-N 3.19Å; R269-E319 IonicContact NH1-OE1 2.88Å; R269-E319 PolarHBondContact NH1-OE1 2.87Å
270	L	90.7	Very high	84.1	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-59.3	-46.5	172.6	-176	68.1	0	0	0	111.4	F254 L259 L265 S266 A267 K272 L273 A274 F295 L325 I329	F254-L270 HydrophobicContact CD1-CD1 3.78Å; F254-L270 HydrophobicContact CE1-CD1 3.5Å; F254-L270 VanDerWaalsContact CE1-CD1 3.5Å; F254-L270 HydrophobicContact CE1-CG 3.88Å; F254-L270 VanDerWaalsContact CE1-O 3.3Å; F254-L270 WeakPolarHBondContact CE1-O 3.36Å; F254-L270 HydrophobicContact CE2-CD1 4.29Å; F254-L270 HydrophobicContact CE2-CD2 4.43Å; F254-L270 HydrophobicContact CE2-CG 4.1Å; F254-L270 HydrophobicContact CG-CD1 4.27Å; F254-L270 HydrophobicContact CZ-CD1 3.78Å; F254-L270 HydrophobicContact CZ-CD2 4.43Å; F254-L270 HydrophobicContact CZ-CG 3.63Å; F254-L270 VanDerWaalsContact CZ-O 3.29Å; F254-L270 WeakPolarHBondContact CZ-O 3.18Å; L259-L270 HydrophobicContact CD2-CD1 3.88Å; L265-L270 HydrophobicContact CD2-CB 3.87Å; L265-L270 HydrophobicContact CD2-CD1 3.67Å; L265-L270 HydrophobicContact CD2-CG 4.35Å; S266-L270 PolarHBondContact O-N 3.48Å; A267-L270 WeakPolarHBondContact O-CB 3.01Å; A267-L270 PolarHBondContact O-N 2.74Å; L270-K272 PolarHBondContact O-N 2.92Å; L270-L273 WeakPolarHBondContact O-CB 3.28Å; L270-L273 PolarHBondContact O-N 3.12Å; L270-L273 VanDerWaalsContact O-N 3.17Å; L270-A274 PolarHBondContact O-N 3.02Å; L270-F295 HydrophobicContact CD2-CE1 4.43Å; L270-F295 HydrophobicContact CD2-CZ 4.2Å; L270-L325 HydrophobicContact CB-CD2 4.43Å; L270-L325 HydrophobicContact CD2-CD2 4.22Å; L270-I329 HydrophobicContact CD2-CD1 3.79Å
271	V	89.4	Confident	83.9	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-43.2	176.4	174.3	0	0	0	0	111.4	L252 A267 E268 L273 A274 F275 M278 P281 V284 L285	L252-V271 HydrophobicContact CD1-CG1 4.18Å; L252-V271 HydrophobicContact CD1-CG2 4.17Å; A267-V271 WeakPolarHBondContact O-CG2 3.4Å; A267-V271 PolarHBondContact O-N 2.85Å; A267-V271 VanDerWaalsContact O-N 3.12Å; E268-V271 PolarHBondContact O-N 3.28Å; V271-L273 VanDerWaalsContact C-N 3.26Å; V271-L273 PolarHBondContact O-N 2.63Å; V271-A274 PolarHBondContact O-N 2.68Å; V271-F275 PolarHBondContact O-N 2.75Å; V271-F275 VanDerWaalsContact O-N 3.11Å; V271-M278 HydrophobicContact CG1-SD 3.68Å; V271-P281 HydrophobicContact CG1-CB 4.5Å; V271-V284 HydrophobicContact CG1-CB 4.22Å; V271-V284 HydrophobicContact CG1-CG1 4.39Å; V271-V284 HydrophobicContact CG1-CG2 4.28Å; V271-V284 HydrophobicContact CG2-CB 4.41Å; V271-V284 HydrophobicContact CG2-CG1 3.84Å; V271-L285 HydrophobicContact CG2-CD2 4.35Å
272	K	87.4	Confident	83.8	Confident	89 Å²	89	58 Å²	58	39%	0.387	30%	0.3	S	S	.	.	H	α-helix	trans	-64.8	-26.3	176.8	-70.9	-179.7	-172.6	169.3	0	113.5	E268 R269 L270 F275 P276 P281	E268-K272 PolarHBondContact O-N 2.92Å; E268-K272 WeakPolarHBondContact OE1-CE 3.29Å; E268-K272 IonicContact OE1-NZ 3.42Å; E268-K272 PolarHBondContact OE1-NZ 3.34Å; R269-K272 PolarHBondContact O-N 2.9Å; L270-K272 PolarHBondContact O-N 2.92Å; K272-F275 CarbonylContact O-C 3.59Å; K272-P276 WeakPolarHBondContact O-CA 3.32Å; K272-P281 HydrophobicContact CD-CG 4.31Å; K272-P281 HydrophobicContact CG-CG 4.06Å
273	L	86.3	Confident	83.9	Confident	97 Å²	97	57.4 Å²	57.4	51%	0.508	29%	0.29	S	S	.	.	H	α-helix	trans	-69.9	-40.1	175.2	-75.5	168.2	0	0	0	111.7	L265 R269 L270 V271	L265-L273 HydrophobicContact CD1-CD1 3.91Å; L265-L273 HydrophobicContact CD2-CD1 4.03Å; R269-L273 WeakPolarHBondContact O-CG 3.44Å; R269-L273 PolarHBondContact O-N 3.19Å; L270-L273 WeakPolarHBondContact O-CB 3.28Å; L270-L273 PolarHBondContact O-N 3.12Å; L270-L273 VanDerWaalsContact O-N 3.17Å; V271-L273 VanDerWaalsContact C-N 3.26Å; V271-L273 PolarHBondContact O-N 2.63Å
274	A	84.1	Confident	83.9	Confident	21 Å²	21	49.2 Å²	49.2	17%	0.174	25%	0.252	C	S	.	.	H	α-helix	trans	-74.6	-32.4	178.1	0	0	0	0	0	113.3	L252 F254 L270 V271	L252-A274 HydrophobicContact CB-CB 3.95Å; L252-A274 HydrophobicContact CD2-CB 3.87Å; L252-A274 HydrophobicContact CG-CB 4.38Å; F254-A274 HydrophobicContact CE1-CB 3.58Å; F254-A274 HydrophobicContact CE2-CB 4.32Å; F254-A274 HydrophobicContact CZ-CB 3.45Å; F254-A274 VanDerWaalsContact CZ-CB 3.45Å; L270-A274 PolarHBondContact O-N 3.02Å; V271-A274 PolarHBondContact O-N 2.68Å
275	F	84.1	Confident	83.4	Confident	5 Å²	5	44.5 Å²	44.5	2%	0.022	23%	0.233	C	C	.	.			trans	-136.1	83.6	175.7	-172	-144.9	0	0	0	111.1	E135 H136 V271 K272 H277 M278	E135-F275 HydrophobicContact CG-CE2 4.42Å; E135-F275 HydrophobicContact CG-CZ 4.29Å; H136-F275 HydrophobicContact CB-CD1 4.49Å; H136-F275 HydrophobicContact CB-CD2 4.47Å; H136-F275 HydrophobicContact CB-CE1 4.25Å; H136-F275 HydrophobicContact CB-CE2 4.22Å; H136-F275 HydrophobicContact CB-CZ 4.12Å; H136-F275 AromaticContact ND1-CD2 3.5Å; H136-F275 WeakPolarHBondContact ND1-CD2 3.36Å; H136-F275 AromaticContact ND1-CG 3.51Å; V271-F275 PolarHBondContact O-N 2.75Å; V271-F275 VanDerWaalsContact O-N 3.11Å; K272-F275 CarbonylContact O-C 3.59Å; F275-H277 HydrophobicContact CE2-CB 4.04Å; F275-H277 HydrophobicContact CZ-CB 4.42Å; F275-H277 PolarHBondContact O-N 3.09Å; F275-M278 HydrophobicContact CB-CB 4.27Å; F275-M278 HydrophobicContact CD1-CB 3.37Å; F275-M278 HydrophobicContact CD1-CG 3.68Å; F275-M278 HydrophobicContact CD1-SD 4.29Å; F275-M278 HydrophobicContact CE1-CB 3.89Å; F275-M278 HydrophobicContact CE1-CG 4.08Å; F275-M278 HydrophobicContact CG-CB 4.01Å; F275-M278 VanDerWaalsContact O-CB 3.23Å; F275-M278 WeakPolarHBondContact O-CB 3.34Å; F275-M278 PolarHBondContact O-N 3.06Å
276	P	79.4	Confident	82.6	Confident	93 Å²	93	47.4 Å²	47.4	60%	0.604	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-27	-175.7	-26.2	35.4	0	0	0	114.7	K272 M278	K272-P276 WeakPolarHBondContact O-CA 3.32Å; P276-M278 VanDerWaalsContact C-N 3.3Å
277	H	75.1	Confident	81.6	Confident	135 Å²	135	48.4 Å²	48.4	63%	0.625	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	4.6	179.6	-57.7	-60.8	0	0	0	113.3	F275 T279	F275-H277 HydrophobicContact CE2-CB 4.04Å; F275-H277 HydrophobicContact CZ-CB 4.42Å; F275-H277 PolarHBondContact O-N 3.09Å; H277-T279 PolarHBondContact O-N 3.48Å; H277-T279 VanDerWaalsContact O-N 3.09Å
278	M	78.5	Confident	80.7	Confident	15 Å²	15	51 Å²	51	7%	0.074	28%	0.282	C	S	.	.			trans	-62.2	113.8	177.4	-161.1	175.8	-175.8	0	0	111.1	M132 F250 V271 F275 P276 D280 L283 V284	M132-M278 HydrophobicContact CE-CG 4.24Å; F250-M278 HydrophobicContact CE2-CE 4.46Å; F250-M278 HydrophobicContact CZ-CE 4.41Å; V271-M278 HydrophobicContact CG1-SD 3.68Å; F275-M278 HydrophobicContact CB-CB 4.27Å; F275-M278 HydrophobicContact CD1-CB 3.37Å; F275-M278 HydrophobicContact CD1-CG 3.68Å; F275-M278 HydrophobicContact CD1-SD 4.29Å; F275-M278 HydrophobicContact CE1-CB 3.89Å; F275-M278 HydrophobicContact CE1-CG 4.08Å; F275-M278 HydrophobicContact CG-CB 4.01Å; F275-M278 VanDerWaalsContact O-CB 3.23Å; F275-M278 WeakPolarHBondContact O-CB 3.34Å; F275-M278 PolarHBondContact O-N 3.06Å; P276-M278 VanDerWaalsContact C-N 3.3Å; M278-D280 WeakPolarHBondContact CE-O 3.27Å; M278-D280 PolarHBondContact O-N 3.13Å; M278-L283 HydrophobicContact CE-CB 4.1Å; M278-V284 HydrophobicContact CE-CB 4.45Å; M278-V284 HydrophobicContact CE-CG2 3.59Å; M278-V284 HydrophobicContact SD-CG2 4.34Å
279	T	72.1	Confident	80.2	Confident	113 Å²	113	49.2 Å²	49.2	69%	0.693	27%	0.274	S	S	*	.	S	Bend	trans	-66.2	-35.7	-178.4	45	0	0	0	0	113.1	M132 H277	M132-T279 WeakPolarHBondContact CE-OG1 3.45Å; H277-T279 PolarHBondContact O-N 3.48Å; H277-T279 VanDerWaalsContact O-N 3.09Å
280	D	76.1	Confident	80.1	Confident	49 Å²	49	46.5 Å²	46.5	26%	0.262	26%	0.263	S	S	.	.			trans	-139.7	102.9	177.4	-168.7	-8.7	0	0	0	112.3	M278 S282 L283	M278-D280 WeakPolarHBondContact CE-O 3.27Å; M278-D280 PolarHBondContact O-N 3.13Å; D280-S282 PolarHBondContact O-N 2.9Å; D280-S282 WeakPolarHBondContact OD1-CB 3.42Å; D280-S282 PolarHBondContact OD1-N 3.45Å; D280-S282 PolarHBondContact OD1-OG 3.02Å; D280-S282 PolarHBondContact OD2-OG 2.69Å; D280-L283 HydrophobicContact CB-CG 4.32Å; D280-L283 WeakPolarHBondContact O-CG 3.47Å
281	P	78.9	Confident	80.2	Confident	12 Å²	12	46.5 Å²	46.5	8%	0.078	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-20.2	176.4	-14.6	24.8	0	0	0	113.7	E268 V271 K272 L283 V284 L285	E268-P281 HydrophobicContact CG-CB 4.22Å; E268-P281 HydrophobicContact CG-CG 4.37Å; V271-P281 HydrophobicContact CG1-CB 4.5Å; K272-P281 HydrophobicContact CD-CG 4.31Å; K272-P281 HydrophobicContact CG-CG 4.06Å; P281-L283 PolarHBondContact O-N 2.82Å; P281-L283 VanDerWaalsContact O-N 3.09Å; P281-V284 PolarHBondContact O-N 3.19Å; P281-V284 VanDerWaalsContact O-N 3.1Å; P281-L285 HydrophobicContact CB-CD1 4.45Å; P281-L285 WeakPolarHBondContact O-CG 3.49Å; P281-L285 PolarHBondContact O-N 2.87Å
282	S	75.1	Confident	80.4	Confident	40 Å²	40	46.5 Å²	46.5	28%	0.28	26%	0.264	S	S	.	.	H	α-helix	trans	-61.5	-21.2	-176.6	73.6	0	0	0	0	112.7	D280 V284 L285 S286	D280-S282 PolarHBondContact O-N 2.9Å; D280-S282 WeakPolarHBondContact OD1-CB 3.42Å; D280-S282 PolarHBondContact OD1-N 3.45Å; D280-S282 PolarHBondContact OD1-OG 3.02Å; D280-S282 PolarHBondContact OD2-OG 2.69Å; S282-V284 VanDerWaalsContact C-N 3.26Å; S282-V284 PolarHBondContact O-N 3.24Å; S282-L285 PolarHBondContact O-N 3.34Å; S282-S286 WeakPolarHBondContact O-CB 3.44Å; S282-S286 PolarHBondContact O-N 2.94Å; S282-S286 PolarHBondContact O-OG 3.44Å
283	L	74.6	Confident	80.9	Confident	20 Å²	20	42.3 Å²	42.3	11%	0.105	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-29.5	177.8	-51.4	-170.7	0	0	0	113.4	L125 M132 M278 D280 P281 T288 C289	L125-L283 HydrophobicContact CD1-CB 4.41Å; L125-L283 HydrophobicContact CD1-CD1 3.81Å; L125-L283 HydrophobicContact CD1-CD2 3.24Å; L125-L283 HydrophobicContact CD1-CG 3.96Å; M132-L283 HydrophobicContact CE-CD1 4.11Å; M132-L283 HydrophobicContact SD-CD1 4.5Å; M278-L283 HydrophobicContact CE-CB 4.1Å; D280-L283 HydrophobicContact CB-CG 4.32Å; D280-L283 WeakPolarHBondContact O-CG 3.47Å; P281-L283 PolarHBondContact O-N 2.82Å; P281-L283 VanDerWaalsContact O-N 3.09Å; L283-T288 PolarHBondContact O-OG1 2.8Å; L283-C289 PolarHBondContact O-N 3.41Å
284	V	79.9	Confident	81.4	Confident	5 Å²	5	37.7 Å²	37.7	3%	0.03	22%	0.221	C	C	.	.	H	α-helix	trans	-89.3	-41	173.4	173.8	0	0	0	0	110	F250 L252 V271 M278 P281 S282 S286 G287 T291	F250-V284 HydrophobicContact CD2-CG2 4Å; F250-V284 HydrophobicContact CG-CG2 4.43Å; L252-V284 HydrophobicContact CD1-CG1 4.23Å; V271-V284 HydrophobicContact CG1-CB 4.22Å; V271-V284 HydrophobicContact CG1-CG1 4.39Å; V271-V284 HydrophobicContact CG1-CG2 4.28Å; V271-V284 HydrophobicContact CG2-CB 4.41Å; V271-V284 HydrophobicContact CG2-CG1 3.84Å; M278-V284 HydrophobicContact CE-CB 4.45Å; M278-V284 HydrophobicContact CE-CG2 3.59Å; M278-V284 HydrophobicContact SD-CG2 4.34Å; P281-V284 PolarHBondContact O-N 3.19Å; P281-V284 VanDerWaalsContact O-N 3.1Å; S282-V284 VanDerWaalsContact C-N 3.26Å; S282-V284 PolarHBondContact O-N 3.24Å; V284-S286 PolarHBondContact O-N 2.57Å; V284-G287 PolarHBondContact O-N 2.89Å; V284-T291 HydrophobicContact CG1-CG2 3.89Å; V284-T291 HydrophobicContact CG2-CG2 4.45Å
285	L	82.1	Confident	82	Confident	37 Å²	37	36.7 Å²	36.7	19%	0.194	21%	0.213	C	C	.	.	H	α-helix	trans	-67.7	-32.2	-176.9	-59.1	178.2	0	0	0	113.5	E268 V271 P281 S282 P316 L335	E268-L285 HydrophobicContact CB-CD1 3.98Å; E268-L285 HydrophobicContact CG-CD1 4.08Å; V271-L285 HydrophobicContact CG2-CD2 4.35Å; P281-L285 HydrophobicContact CB-CD1 4.45Å; P281-L285 WeakPolarHBondContact O-CG 3.49Å; P281-L285 PolarHBondContact O-N 2.87Å; S282-L285 PolarHBondContact O-N 3.34Å; L285-P316 HydrophobicContact CD1-CB 4.21Å; L285-P316 HydrophobicContact CD1-CG 4.38Å; L285-P316 HydrophobicContact CD2-CB 3.85Å; L285-P316 HydrophobicContact CG-CB 4.46Å; L285-L335 HydrophobicContact CD2-CD2 3.7Å
286	S	74.5	Confident	82.5	Confident	76 Å²	76	37.4 Å²	37.4	53%	0.531	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-7.1	-178.7	63.7	0	0	0	0	114	S282 V284 T288	S282-S286 WeakPolarHBondContact O-CB 3.44Å; S282-S286 PolarHBondContact O-N 2.94Å; S282-S286 PolarHBondContact O-OG 3.44Å; V284-S286 PolarHBondContact O-N 2.57Å; S286-T288 PolarHBondContact O-N 3.41Å; S286-T288 WeakPolarHBondContact OG-CG2 3.18Å; S286-T288 PolarHBondContact OG-OG1 2.7Å
287	G	72.4	Confident	83.2	Confident	28 Å²	28	33 Å²	33	29%	0.289	19%	0.189	S	C	.	.	S	Bend	trans	73.7	8.3	-178.2	0	0	0	0	0	114.9	V284 C289	V284-G287 PolarHBondContact O-N 2.89Å; G287-C289 VanDerWaalsContact C-N 3.26Å; G287-C289 PolarHBondContact O-N 3.14Å
288	T	74.4	Confident	84.1	Confident	56 Å²	56	27 Å²	27	34%	0.344	16%	0.161	S	C	.	.	S	Bend	trans	-61.8	-34.5	177.6	46.7	0	0	0	0	112.7	L283 S286	L283-T288 PolarHBondContact O-OG1 2.8Å; S286-T288 PolarHBondContact O-N 3.41Å; S286-T288 WeakPolarHBondContact OG-CG2 3.18Å; S286-T288 PolarHBondContact OG-OG1 2.7Å
289	C	80.3	Confident	84.6	Confident	3 Å²	3	27.4 Å²	27.4	2%	0.02	16%	0.164	C	C	.	.	S	Bend	trans	-106.3	133.7	174.5	-69.9	0	0	0	0	109.4	F250 L283 G287 T291	F250-C289 HydrophobicContact CD2-CB 3.87Å; F250-C289 HydrophobicContact CE2-CB 3.83Å; L283-C289 PolarHBondContact O-N 3.41Å; G287-C289 VanDerWaalsContact C-N 3.26Å; G287-C289 PolarHBondContact O-N 3.14Å; C289-T291 PolarHBondContact O-N 3.45Å; C289-T291 VanDerWaalsContact O-N 3.15Å; C289-T291 PolarHBondContact O-OG1 2.93Å
290	R	86.8	Confident	85.4	Confident	80 Å²	80	24 Å²	24	30%	0.302	14%	0.14	S	C	.	.			trans	-68.9	115.4	174.9	-173.2	174.3	179.7	-178	-12	108.6	D247 V248 S249 F250	D247-R290 IonicContact OD2-CZ 2.77Å; D247-R290 IonicContact OD2-NE 3.55Å; D247-R290 IonicContact OD2-NH1 3.14Å; D247-R290 PolarHBondContact OD2-NH1 2.81Å; D247-R290 IonicContact OD2-NH2 3.47Å; V248-R290 HydrophobicContact CG2-CG 4.4Å; S249-R290 PolarHBondContact N-O 2.85Å; F250-R290 PolarHBondContact N-O 2.99Å
291	T	92.1	Very high	86	Confident	3 Å²	3	22.8 Å²	22.8	2%	0.018	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	141.8	-175.9	-61.8	0	0	0	0	110.9	F250 L252 V284 C289 A339	F250-T291 HydrophobicContact CB-CG2 4.09Å; F250-T291 CarbonylContact O-C 3.55Å; F250-T291 WeakPolarHBondContact O-CA 3.46Å; L252-T291 HydrophobicContact CD1-CG2 3.89Å; L252-T291 HydrophobicContact CG-CG2 4.11Å; V284-T291 HydrophobicContact CG1-CG2 3.89Å; V284-T291 HydrophobicContact CG2-CG2 4.45Å; C289-T291 PolarHBondContact O-N 3.45Å; C289-T291 VanDerWaalsContact O-N 3.15Å; C289-T291 PolarHBondContact O-OG1 2.93Å; T291-A339 PolarHBondContact O-N 2.9Å
292	L	95.3	Very high	86.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121.4	169.3	176.8	66.8	0	0	0	109.7	L205 F235 V248 F250 V251 L252 I294 A339 W341	L205-L292 HydrophobicContact CD1-CD1 3.96Å; L205-L292 HydrophobicContact CD1-CD2 4.09Å; L205-L292 HydrophobicContact CD1-CG 4.45Å; L205-L292 HydrophobicContact CD2-CD1 4.13Å; F235-L292 HydrophobicContact CD1-CD2 4.48Å; F235-L292 HydrophobicContact CE1-CD2 3.43Å; F235-L292 VanDerWaalsContact CE1-CD2 3.43Å; F235-L292 HydrophobicContact CZ-CD2 3.55Å; V248-L292 HydrophobicContact CG1-CB 3.96Å; F250-L292 PolarHBondContact O-N 2.99Å; V251-L292 WeakPolarHBondContact CA-O 3.32Å; V251-L292 HydrophobicContact CG1-CD2 4.45Å; V251-L292 HydrophobicContact CG2-CB 4.23Å; V251-L292 HydrophobicContact CG2-CD2 4.23Å; L252-L292 PolarHBondContact N-O 3.26Å; L292-I294 HydrophobicContact CD2-CD1 4Å; L292-I294 HydrophobicContact CD2-CG1 3.9Å; L292-I294 HydrophobicContact CG-CG1 3.91Å; L292-A339 WeakPolarHBondContact CA-O 3.37Å; L292-A339 HydrophobicContact CD1-CB 3.8Å; L292-W341 HydrophobicContact CD1-CB 4.06Å
293	L	96.8	Very high	86.5	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	124.2	168.7	-64.4	159.8	0	0	0	108.2	L252 F254 F295 I329 L335 A338 A339 V340 W341	L252-L293 HydrophobicContact CB-CD2 4.18Å; L252-L293 HydrophobicContact CD1-CD2 4.04Å; F254-L293 HydrophobicContact CE2-CD2 3.91Å; L293-F295 HydrophobicContact CB-CE2 4.28Å; L293-I329 HydrophobicContact CD1-CG2 3.93Å; L293-L335 HydrophobicContact CD1-CB 4.31Å; L293-L335 HydrophobicContact CD1-CD1 3.65Å; L293-L335 HydrophobicContact CD2-CD1 4.43Å; L293-A338 HydrophobicContact CD1-CB 3.7Å; L293-A338 HydrophobicContact CG-CB 4.27Å; L293-A339 PolarHBondContact N-O 3.01Å; L293-V340 HydrophobicContact CD1-CG2 4.35Å; L293-V340 CarbonylContact O-C 3.38Å; L293-V340 WeakPolarHBondContact O-CA 3.07Å; L293-W341 PolarHBondContact O-N 3.28Å
294	I	97.2	Very high	86.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.9	174.9	-49.4	176.4	0	0	0	108.4	V232 F235 V236 V251 L252 P253 F254 L292 W341	V232-I294 HydrophobicContact CG1-CD1 4.44Å; V232-I294 HydrophobicContact CG1-CG2 3.8Å; V232-I294 HydrophobicContact CG2-CG2 4.07Å; F235-I294 HydrophobicContact CD1-CD1 3.87Å; F235-I294 HydrophobicContact CE1-CD1 4.08Å; V236-I294 HydrophobicContact CG2-CD1 4.06Å; V251-I294 HydrophobicContact CG1-CD1 3.57Å; V251-I294 HydrophobicContact CG1-CG1 4.23Å; L252-I294 PolarHBondContact O-N 3.42Å; P253-I294 HydrophobicContact CB-CB 4.43Å; F254-I294 PolarHBondContact N-O 2.82Å; L292-I294 HydrophobicContact CD2-CD1 4Å; L292-I294 HydrophobicContact CD2-CG1 3.9Å; L292-I294 HydrophobicContact CG-CG1 3.91Å; I294-W341 CarbonylContact C-O 3.42Å; I294-W341 WeakPolarHBondContact CA-O 3.32Å; I294-W341 HydrophobicContact CD1-CE3 3.75Å; I294-W341 HydrophobicContact CD1-CZ3 4.05Å; I294-W341 HydrophobicContact CG1-CB 4.46Å; I294-W341 HydrophobicContact CG1-CE3 3.93Å; I294-W341 HydrophobicContact CG2-CD2 4.25Å; I294-W341 HydrophobicContact CG2-CE3 3.85Å; I294-W341 HydrophobicContact CG2-CZ3 4.46Å
295	F	96.4	Very high	87.2	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	103.8	172.5	-68.1	-70.9	0	0	0	109.3	F254 F256 L259 L270 L293 V326 I329 V340 W341 V342 T343	F254-F295 HydrophobicContact CB-CD1 4Å; F254-F295 HydrophobicContact CB-CE1 4.24Å; F254-F295 HydrophobicContact CD2-CD1 4.36Å; F254-F295 HydrophobicContact CD2-CE1 4.02Å; F254-F295 HydrophobicContact CG-CE1 4.33Å; F254-F295 WeakPolarHBondContact O-CA 3.44Å; F256-F295 HydrophobicContact CD2-CB 4.21Å; F256-F295 HydrophobicContact CE2-CB 3.46Å; F256-F295 VanDerWaalsContact CE2-CB 3.46Å; F256-F295 HydrophobicContact CE2-CG 4.37Å; F256-F295 HydrophobicContact CZ-CB 3.77Å; F256-F295 HydrophobicContact CZ-CD1 4.37Å; F256-F295 HydrophobicContact CZ-CG 4.23Å; L259-F295 HydrophobicContact CD1-CD1 4.12Å; L259-F295 HydrophobicContact CD1-CE1 4.09Å; L270-F295 HydrophobicContact CD2-CE1 4.43Å; L270-F295 HydrophobicContact CD2-CZ 4.2Å; L293-F295 HydrophobicContact CB-CE2 4.28Å; F295-V326 HydrophobicContact CE1-CG2 4.27Å; F295-I329 HydrophobicContact CE2-CG2 4.06Å; F295-I329 HydrophobicContact CZ-CD1 4.11Å; F295-V340 HydrophobicContact CD2-CG1 3.92Å; F295-V340 HydrophobicContact CE2-CG1 4.15Å; F295-W341 PolarHBondContact N-O 2.78Å; F295-V342 HydrophobicContact CB-CG2 4.43Å; F295-V342 WeakPolarHBondContact O-CA 3.39Å; F295-T343 PolarHBondContact O-N 2.7Å
296	D	95.1	Very high	87.5	Confident	20 Å²	20	35.3 Å²	35.3	11%	0.107	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.4	-175.5	-169.9	41	0	0	0	111.6	S229 V232 F254 F256 T343	S229-D296 VanDerWaalsContact CA-OD2 3.24Å; S229-D296 WeakPolarHBondContact CA-OD2 3.44Å; S229-D296 WeakPolarHBondContact CB-OD2 3.41Å; S229-D296 PolarHBondContact OG-OD2 2.82Å; V232-D296 HydrophobicContact CG1-CB 4.48Å; V232-D296 HydrophobicContact CG2-CB 4.3Å; F254-D296 PolarHBondContact O-N 2.87Å; F256-D296 WeakPolarHBondContact CD2-O 3.32Å; F256-D296 PolarHBondContact N-O 2.92Å; D296-T343 WeakPolarHBondContact CA-OG1 3.08Å; D296-T343 PolarHBondContact OD1-OG1 2.69Å
297	G	93.2	Very high	88.3	Confident	2 Å²	2	32.8 Å²	32.8	2%	0.021	18%	0.175	C	C	.	.			trans	81.7	54	170.9	0	0	0	0	0	115.4	F256 D299 E300 T343	F256-G297 VanDerWaalsContact CB-O 3.31Å; F256-G297 WeakPolarHBondContact CB-O 3.24Å; F256-G297 VanDerWaalsContact CD2-C 3.43Å; G297-D299 PolarHBondContact O-N 2.74Å; G297-E300 WeakPolarHBondContact O-CB 3.47Å; G297-E300 PolarHBondContact O-N 2.95Å; G297-T343 PolarHBondContact N-O 2.83Å; G297-T343 PolarHBondContact N-OG1 3.36Å
298	L	93.3	Very high	89	Confident	8 Å²	8	35.8 Å²	35.8	4%	0.042	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-53.4	-30.6	179.9	178.9	62.9	0	0	0	113.6	F256 E300 F301 L305 V342 T343 V348 I352	F256-L298 HydrophobicContact CD1-CD1 4.26Å; F256-L298 HydrophobicContact CD2-CB 4.02Å; F256-L298 HydrophobicContact CD2-CD1 4.43Å; F256-L298 HydrophobicContact CE1-CD1 3.63Å; F256-L298 VanDerWaalsContact CE2-CA 3.43Å; F256-L298 HydrophobicContact CE2-CB 3.6Å; F256-L298 HydrophobicContact CE2-CD1 3.77Å; F256-L298 HydrophobicContact CE2-CG 4.28Å; F256-L298 HydrophobicContact CZ-CB 4.12Å; F256-L298 HydrophobicContact CZ-CD1 3.34Å; F256-L298 HydrophobicContact CZ-CG 4.29Å; L298-E300 PolarHBondContact O-N 2.57Å; L298-F301 HydrophobicContact CD1-CB 4.48Å; L298-F301 WeakPolarHBondContact O-CB 3.38Å; L298-F301 PolarHBondContact O-N 2.96Å; L298-L305 HydrophobicContact CD1-CD1 3.57Å; L298-L305 HydrophobicContact CD1-CG 4.09Å; L298-L305 HydrophobicContact CD2-CD1 4.3Å; L298-V342 HydrophobicContact CB-CG1 4.31Å; L298-V342 HydrophobicContact CD2-CG1 4.45Å; L298-T343 PolarHBondContact N-O 2.64Å; L298-V348 HydrophobicContact CD2-CG1 3.97Å; L298-V348 HydrophobicContact CG-CG1 3.78Å; L298-I352 HydrophobicContact CD2-CD1 4Å; L298-I352 HydrophobicContact CD2-CG1 4.41Å
299	D	89.7	Confident	89.7	Confident	24 Å²	24	40.5 Å²	40.5	13%	0.128	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-65.8	-11.3	175.4	50.3	-73.9	0	0	0	115.1	G297 R345 V348	G297-D299 PolarHBondContact O-N 2.74Å; D299-R345 HydrophobicContact CB-CB 4.11Å; D299-R345 HydrophobicContact CB-CG 4.17Å; D299-R345 PolarHBondContact OD1-N 3.44Å; D299-R345 WeakPolarHBondContact OD2-CD 3.11Å; D299-R345 VanDerWaalsContact OD2-CG 3.32Å; D299-R345 WeakPolarHBondContact OD2-CG 3.41Å; D299-V348 HydrophobicContact CB-CB 4.3Å; D299-V348 HydrophobicContact CB-CG2 3.84Å
300	E	88.9	Confident	90.2	Very high	40 Å²	40	41 Å²	41	19%	0.187	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-95.9	-2.3	176.4	-55.4	-179.1	176.9	0	0	112.9	W257 N260 G297 L298	W257-E300 HydrophobicContact CB-CB 4.38Å; W257-E300 VanDerWaalsContact CD1-OE2 3.25Å; N260-E300 PolarHBondContact ND2-O 2.85Å; G297-E300 WeakPolarHBondContact O-CB 3.47Å; G297-E300 PolarHBondContact O-N 2.95Å; L298-E300 PolarHBondContact O-N 2.57Å
301	F	89.2	Confident	90.4	Very high	24 Å²	24	41.9 Å²	41.9	11%	0.105	23%	0.227	C	C	.	.			trans	-78.2	134.6	178.9	-164.8	-132.1	0	0	0	111.3	F256 L259 N260 L298 C303 L305 V322 D323	F256-F301 HydrophobicContact CB-CB 4.06Å; F256-F301 HydrophobicContact CD1-CB 3.64Å; F256-F301 HydrophobicContact CD1-CD1 4.22Å; F256-F301 AromaticContact CD1-CD2 3.69Å; F256-F301 HydrophobicContact CD1-CD2 3.69Å; F256-F301 HydrophobicContact CD1-CE2 4.44Å; F256-F301 AromaticContact CD1-CG 3.59Å; F256-F301 HydrophobicContact CD1-CG 3.59Å; F256-F301 HydrophobicContact CE1-CB 4.36Å; F256-F301 HydrophobicContact CE1-CD1 4.33Å; F256-F301 HydrophobicContact CE1-CD2 4.47Å; F256-F301 HydrophobicContact CE1-CG 4.15Å; F256-F301 HydrophobicContact CG-CB 4.07Å; F256-F301 HydrophobicContact CG-CG 4.46Å; L259-F301 HydrophobicContact CB-CE2 4.35Å; N260-F301 VanDerWaalsContact OD1-CD2 3.25Å; N260-F301 WeakPolarHBondContact OD1-CD2 3.39Å; L298-F301 HydrophobicContact CD1-CB 4.48Å; L298-F301 WeakPolarHBondContact O-CB 3.38Å; L298-F301 PolarHBondContact O-N 2.96Å; F301-C303 HydrophobicContact CD1-CB 4.5Å; F301-C303 WeakPolarHBondContact CD1-O 3.31Å; F301-C303 HydrophobicContact CE1-CB 3.93Å; F301-C303 WeakPolarHBondContact CE1-O 3.22Å; F301-C303 HydrophobicContact CZ-CB 4.26Å; F301-L305 HydrophobicContact CD1-CD2 4.14Å; F301-L305 HydrophobicContact CE1-CD2 3.84Å; F301-V322 HydrophobicContact CE2-CG1 3.86Å; F301-V322 HydrophobicContact CZ-CB 4.24Å; F301-V322 HydrophobicContact CZ-CG1 3.82Å; F301-D323 HydrophobicContact CE1-CB 3.87Å; F301-D323 HydrophobicContact CZ-CB 4.18Å
302	R	82.3	Confident	90.4	Very high	133 Å²	133	46 Å²	46	50%	0.502	25%	0.253	S	S	.	.	S	Bend	trans	-73.3	-31.7	-174.8	-75.7	175.1	-175.6	-173.2	-0.6	113.6	N260 D489	N260-R302 HydrophobicContact CB-CG 4.24Å; N260-R302 WeakPolarHBondContact OD1-CB 3.3Å; N260-R302 WeakPolarHBondContact OD1-CG 3.42Å; N260-R302 PolarHBondContact OD1-N 3.38Å; R302-D489 IonicContact NH2-OD2 2.58Å
303	C	81.1	Confident	90.3	Very high	57 Å²	57	46.2 Å²	46.2	39%	0.385	26%	0.255	S	S	.	.	S	Bend	trans	-104	132.2	-176	-62.6	0	0	0	0	110.1	F301 D323	F301-C303 HydrophobicContact CD1-CB 4.5Å; F301-C303 WeakPolarHBondContact CD1-O 3.31Å; F301-C303 HydrophobicContact CE1-CB 3.93Å; F301-C303 WeakPolarHBondContact CE1-O 3.22Å; F301-C303 HydrophobicContact CZ-CB 4.26Å; C303-D323 HydrophobicContact CB-CB 3.99Å
304	P	81.8	Confident	90.1	Very high	104 Å²	104	51.5 Å²	51.5	68%	0.675	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-67	141.9	173	28.7	-33.3	0	0	0	110.6
305	L	89.1	Confident	89.9	Confident	20 Å²	20	55.2 Å²	55.2	11%	0.105	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-80	122.2	175.7	-60.2	-179	0	0	0	110.5	L298 F301 F307 D323 V326 I330	L298-L305 HydrophobicContact CD1-CD1 3.57Å; L298-L305 HydrophobicContact CD1-CG 4.09Å; L298-L305 HydrophobicContact CD2-CD1 4.3Å; F301-L305 HydrophobicContact CD1-CD2 4.14Å; F301-L305 HydrophobicContact CE1-CD2 3.84Å; L305-F307 HydrophobicContact CB-CD2 4.29Å; L305-F307 HydrophobicContact CB-CE2 3.65Å; L305-F307 HydrophobicContact CB-CZ 4.22Å; L305-F307 HydrophobicContact CD1-CE2 4.13Å; L305-F307 HydrophobicContact CD1-CZ 4.05Å; L305-D323 HydrophobicContact CD2-CB 4.25Å; L305-V326 HydrophobicContact CD1-CG1 3.98Å; L305-V326 HydrophobicContact CD2-CB 4.13Å; L305-V326 HydrophobicContact CD2-CG1 4.09Å; L305-I330 HydrophobicContact CD1-CD1 4.15Å
306	D	88.6	Confident	89.6	Confident	63 Å²	63	56.9 Å²	56.9	34%	0.337	32%	0.318	S	S	.	.			trans	-100.3	99	178.4	-173.2	-17.2	0	0	0	111.8	S308 E309 T310	D306-S308 VanDerWaalsContact C-N 3.29Å; D306-S308 PolarHBondContact O-N 2.91Å; D306-S308 WeakPolarHBondContact OD1-CA 2.9Å; D306-S308 WeakPolarHBondContact OD1-CB 3.16Å; D306-S308 PolarHBondContact OD1-N 3.47Å; D306-S308 PolarHBondContact OD1-OG 3.03Å; D306-E309 PolarHBondContact OD1-N 2.93Å; D306-E309 WeakPolarHBondContact OD2-CB 3.3Å; D306-T310 VanDerWaalsContact O-CB 3.24Å; D306-T310 WeakPolarHBondContact O-CB 3.46Å; D306-T310 PolarHBondContact O-OG1 3.4Å
307	F	90.4	Very high	89.4	Confident	24 Å²	24	62.5 Å²	62.5	11%	0.105	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	0.8	177.7	-67	-87.2	0	0	0	114.6	L305 T327 I330 R331 I352 P353 L356	L305-F307 HydrophobicContact CB-CD2 4.29Å; L305-F307 HydrophobicContact CB-CE2 3.65Å; L305-F307 HydrophobicContact CB-CZ 4.22Å; L305-F307 HydrophobicContact CD1-CE2 4.13Å; L305-F307 HydrophobicContact CD1-CZ 4.05Å; F307-T327 HydrophobicContact CD1-CG2 3.76Å; F307-T327 HydrophobicContact CE1-CG2 3.97Å; F307-T327 HydrophobicContact CG-CG2 4.28Å; F307-I330 HydrophobicContact CE1-CB 3.93Å; F307-I330 HydrophobicContact CE1-CD1 4.39Å; F307-I330 HydrophobicContact CE1-CG2 3.68Å; F307-I330 HydrophobicContact CZ-CB 4.32Å; F307-I330 HydrophobicContact CZ-CD1 3.92Å; F307-I330 HydrophobicContact CZ-CG2 4.05Å; F307-R331 HydrophobicContact CD1-CG 4.27Å; F307-R331 PolarHBondContact O-NH2 3.26Å; F307-I352 HydrophobicContact CE2-CB 4.37Å; F307-I352 HydrophobicContact CE2-CG1 3.97Å; F307-I352 HydrophobicContact CE2-CG2 4.49Å; F307-I352 HydrophobicContact CZ-CG1 4.1Å; F307-I352 HydrophobicContact CZ-CG2 4.22Å; F307-P353 HydrophobicContact CB-CG 3.74Å; F307-P353 HydrophobicContact CD2-CG 4.49Å; F307-P353 HydrophobicContact CG-CG 4.06Å; F307-L356 HydrophobicContact CD1-CD1 3.71Å; F307-L356 HydrophobicContact CE1-CD1 4.1Å
308	S	87.7	Confident	89.4	Confident	91 Å²	91	67.5 Å²	67.5	64%	0.636	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-57.1	176.8	22.6	0	0	0	0	111.9	D306	D306-S308 VanDerWaalsContact C-N 3.29Å; D306-S308 PolarHBondContact O-N 2.91Å; D306-S308 WeakPolarHBondContact OD1-CA 2.9Å; D306-S308 WeakPolarHBondContact OD1-CB 3.16Å; D306-S308 PolarHBondContact OD1-N 3.47Å; D306-S308 PolarHBondContact OD1-OG 3.03Å
309	E	87.5	Confident	89.4	Confident	155 Å²	155	71.9 Å²	71.9	72%	0.724	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-15.2	-166.1	-58.9	-61.9	136	0	0	113.5	D306 V311	D306-E309 PolarHBondContact OD1-N 2.93Å; D306-E309 WeakPolarHBondContact OD2-CB 3.3Å; E309-V311 PolarHBondContact O-N 3.35Å
310	T	90.8	Very high	89.7	Confident	12 Å²	12	71.6 Å²	71.6	7%	0.074	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-55.4	131.4	-179	-66.3	0	0	0	0	112.1	D306 D324 T327 N328 R331	D306-T310 VanDerWaalsContact O-CB 3.24Å; D306-T310 WeakPolarHBondContact O-CB 3.46Å; D306-T310 PolarHBondContact O-OG1 3.4Å; T310-D324 HydrophobicContact CG2-CB 4.1Å; T310-D324 WeakPolarHBondContact CG2-OD1 3.38Å; T310-D324 PolarHBondContact OG1-OD1 3.27Å; T310-T327 HydrophobicContact CG2-CG2 3.91Å; T310-N328 WeakPolarHBondContact CG2-ND2 3.3Å; T310-R331 PolarHBondContact O-NH1 2.96Å
311	V	92.6	Very high	89.9	Confident	100 Å²	100	71.2 Å²	71.2	61%	0.606	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-71.8	131.5	178.9	-179.2	0	0	0	0	110.4	E309 C313 N328	E309-V311 PolarHBondContact O-N 3.35Å; V311-C313 PolarHBondContact O-N 2.7Å; V311-N328 PolarHBondContact O-ND2 2.67Å; V311-N328 PolarHBondContact O-OD1 3.25Å
312	P	91.9	Very high	90.1	Very high	88 Å²	88	70.4 Å²	70.4	57%	0.571	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-59.5	123.7	174.1	-23.3	33.7	0	0	0	111.7	N328	P312-N328 WeakPolarHBondContact CA-OD1 3.44Å
313	C	93.1	Very high	90.6	Very high	6 Å²	6	65.9 Å²	65.9	4%	0.041	37%	0.367	C	S	.	.			trans	-115.8	129.5	172.5	-172.8	0	0	0	0	109	V311 V320 N328 N333 L334	V311-C313 PolarHBondContact O-N 2.7Å; C313-V320 HydrophobicContact CB-CG1 4.45Å; C313-N328 PolarHBondContact N-OD1 3.45Å; C313-N333 CarbonylContact O-C 3.12Å; C313-N333 VanDerWaalsContact O-CB 3.27Å; C313-N333 WeakPolarHBondContact O-CB 3.34Å; C313-L334 HydrophobicContact CB-CD1 4.33Å; C313-L334 WeakPolarHBondContact O-CD2 3.25Å; C313-L334 VanDerWaalsContact O-CG 3.24Å; C313-L334 WeakPolarHBondContact O-CG 3.45Å
314	T	91.9	Very high	91.2	Very high	110 Å²	110	65.2 Å²	65.2	68%	0.675	36%	0.359	S	S	*	.			trans	-119.1	-10.4	177.1	58.1	0	0	0	0	112.9	P316	T314-P316 WeakPolarHBondContact O-CD 3.33Å
315	D	92.6	Very high	91.8	Very high	78 Å²	78	60.4 Å²	60.4	42%	0.417	33%	0.327	S	S	.	.			trans	-85.9	112.5	179	178.2	3.3	0	0	0	110	K317 K318	D315-K317 PolarHBondContact O-N 3.12Å; D315-K317 WeakPolarHBondContact OD1-CB 3.31Å; D315-K317 PolarHBondContact OD1-N 2.71Å; D315-K318 HydrophobicContact CB-CB 3.97Å; D315-K318 PolarHBondContact O-N 3.23Å
316	P	90.1	Very high	92	Very high	36 Å²	36	59.5 Å²	59.5	23%	0.234	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.1	-178.3	28.2	-34.9	0	0	0	113.8	S266 A267 E268 L285 T314	S266-P316 WeakPolarHBondContact CB-O 3.42Å; A267-P316 HydrophobicContact CB-CB 4.04Å; A267-P316 PolarHBondContact N-O 2.93Å; E268-P316 PolarHBondContact N-O 3.3Å; L285-P316 HydrophobicContact CD1-CB 4.21Å; L285-P316 HydrophobicContact CD1-CG 4.38Å; L285-P316 HydrophobicContact CD2-CB 3.85Å; L285-P316 HydrophobicContact CG-CB 4.46Å; T314-P316 WeakPolarHBondContact O-CD 3.33Å
317	K	92.1	Very high	92.4	Very high	137 Å²	137	56.5 Å²	56.5	60%	0.596	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-18.3	179.6	-58.8	-166.9	173.3	178	0	113.2	S266 E268 D315 E319	S266-K317 WeakPolarHBondContact CB-O 3.4Å; E268-K317 WeakPolarHBondContact OE2-CG 3.41Å; D315-K317 PolarHBondContact O-N 3.12Å; D315-K317 WeakPolarHBondContact OD1-CB 3.31Å; D315-K317 PolarHBondContact OD1-N 2.71Å; K317-E319 PolarHBondContact O-N 2.77Å
318	K	93.4	Very high	92.6	Very high	107 Å²	107	55.3 Å²	55.3	47%	0.465	30%	0.302	S	S	.	.	S	Bend	trans	-68.3	127.7	-179.5	-174.2	179.6	177.5	-171.6	0	110.6	S266 D315 V320	S266-K318 WeakPolarHBondContact CA-O 3.4Å; S266-K318 VanDerWaalsContact CB-O 3.3Å; S266-K318 WeakPolarHBondContact CB-O 3.36Å; D315-K318 HydrophobicContact CB-CB 3.97Å; D315-K318 PolarHBondContact O-N 3.23Å; K318-V320 HydrophobicContact CD-CG1 4.37Å; K318-V320 HydrophobicContact CG-CG1 4.29Å
319	E	93.6	Very high	93	Very high	101 Å²	101	51 Å²	51	47%	0.472	27%	0.271	S	S	.	.			trans	-78.9	122.8	171.5	-68.4	-171.1	161	0	0	110.1	K264 R269 K317	K264-E319 HydrophobicContact CB-CB 4.43Å; R269-E319 IonicContact NH1-OE1 2.88Å; R269-E319 PolarHBondContact NH1-OE1 2.87Å; K317-E319 PolarHBondContact O-N 2.77Å
320	V	94.3	Very high	93.4	Very high	17 Å²	17	43.7 Å²	43.7	10%	0.103	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	169.5	174.7	-65.8	0	0	0	0	108.6	K264 L265 C313 K318 D324 L325	K264-V320 CarbonylContact C-O 3.27Å; K264-V320 WeakPolarHBondContact CA-O 3.4Å; K264-V320 WeakPolarHBondContact CB-O 3.29Å; L265-V320 PolarHBondContact N-O 3.21Å; L265-V320 PolarHBondContact O-N 3.35Å; L265-V320 VanDerWaalsContact O-N 3.13Å; C313-V320 HydrophobicContact CB-CG1 4.45Å; K318-V320 HydrophobicContact CD-CG1 4.37Å; K318-V320 HydrophobicContact CG-CG1 4.29Å; V320-D324 HydrophobicContact CB-CB 4.22Å; V320-D324 HydrophobicContact CG2-CB 4.33Å; V320-L325 HydrophobicContact CG2-CB 3.8Å; V320-L325 HydrophobicContact CG2-CD1 4.12Å
321	S	94.1	Very high	93.6	Very high	32 Å²	32	46 Å²	46	22%	0.224	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	152.9	172.6	61.9	0	0	0	0	110.4	E263 D323 D324 L325	E263-S321 WeakPolarHBondContact O-CA 3.47Å; S321-D323 VanDerWaalsContact C-N 3.29Å; S321-D323 WeakPolarHBondContact CB-OD1 3.24Å; S321-D323 PolarHBondContact O-N 2.92Å; S321-D323 PolarHBondContact OG-OD1 3.28Å; S321-D324 PolarHBondContact O-N 3.19Å; S321-D324 WeakPolarHBondContact OG-CB 3.46Å; S321-D324 VanDerWaalsContact OG-CG 3.31Å; S321-L325 WeakPolarHBondContact O-CB 3.04Å; S321-L325 PolarHBondContact O-N 2.98Å
322	V	93.1	Very high	93.6	Very high	8 Å²	8	42 Å²	42	5%	0.048	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-35.1	-171.9	177.1	0	0	0	0	112.2	L259 G262 L265 F301 L325 V326	L259-V322 HydrophobicContact CB-CG1 3.96Å; G262-V322 WeakPolarHBondContact O-CG2 3.49Å; L265-V322 HydrophobicContact CB-CG2 4.1Å; F301-V322 HydrophobicContact CE2-CG1 3.86Å; F301-V322 HydrophobicContact CZ-CB 4.24Å; F301-V322 HydrophobicContact CZ-CG1 3.82Å; V322-L325 WeakPolarHBondContact O-CB 3.26Å; V322-L325 PolarHBondContact O-N 3.03Å; V322-V326 WeakPolarHBondContact O-CG2 3.33Å; V322-V326 PolarHBondContact O-N 3.5Å
323	D	92.6	Very high	93.7	Very high	38 Å²	38	40.3 Å²	40.3	20%	0.203	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-44.8	172.4	55.9	-35.7	0	0	0	112.4	F301 C303 L305 S321 L325 T327	F301-D323 HydrophobicContact CE1-CB 3.87Å; F301-D323 HydrophobicContact CZ-CB 4.18Å; C303-D323 HydrophobicContact CB-CB 3.99Å; L305-D323 HydrophobicContact CD2-CB 4.25Å; S321-D323 VanDerWaalsContact C-N 3.29Å; S321-D323 WeakPolarHBondContact CB-OD1 3.24Å; S321-D323 PolarHBondContact O-N 2.92Å; S321-D323 PolarHBondContact OG-OD1 3.28Å; D323-L325 VanDerWaalsContact C-N 3.32Å; D323-L325 PolarHBondContact O-N 2.92Å; D323-T327 VanDerWaalsContact O-CB 3.3Å; D323-T327 WeakPolarHBondContact O-CB 3.5Å; D323-T327 PolarHBondContact O-N 2.88Å; D323-T327 PolarHBondContact O-OG1 3.46Å
324	D	93.9	Very high	93.7	Very high	43 Å²	43	40.2 Å²	40.2	23%	0.23	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-38.8	173.9	-81.6	-2.7	0	0	0	111.4	T310 V320 S321 N328	T310-D324 HydrophobicContact CG2-CB 4.1Å; T310-D324 WeakPolarHBondContact CG2-OD1 3.38Å; T310-D324 PolarHBondContact OG1-OD1 3.27Å; V320-D324 HydrophobicContact CB-CB 4.22Å; V320-D324 HydrophobicContact CG2-CB 4.33Å; S321-D324 PolarHBondContact O-N 3.19Å; S321-D324 WeakPolarHBondContact OG-CB 3.46Å; S321-D324 VanDerWaalsContact OG-CG 3.31Å; D324-N328 WeakPolarHBondContact O-CB 3.48Å; D324-N328 PolarHBondContact O-N 2.92Å; D324-N328 PolarHBondContact O-ND2 3.09Å
325	L	94.6	Very high	93.7	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-54.4	178.2	-177.3	64.6	0	0	0	110.7	L265 A267 L270 V320 S321 V322 D323 T327 N328 I329 L334	L265-L325 HydrophobicContact CB-CD2 3.92Å; L265-L325 HydrophobicContact CD2-CD2 3.93Å; L265-L325 HydrophobicContact CG-CD2 4.15Å; A267-L325 HydrophobicContact CB-CD1 4.22Å; L270-L325 HydrophobicContact CB-CD2 4.43Å; L270-L325 HydrophobicContact CD2-CD2 4.22Å; V320-L325 HydrophobicContact CG2-CB 3.8Å; V320-L325 HydrophobicContact CG2-CD1 4.12Å; S321-L325 WeakPolarHBondContact O-CB 3.04Å; S321-L325 PolarHBondContact O-N 2.98Å; V322-L325 WeakPolarHBondContact O-CB 3.26Å; V322-L325 PolarHBondContact O-N 3.03Å; D323-L325 VanDerWaalsContact C-N 3.32Å; D323-L325 PolarHBondContact O-N 2.92Å; L325-T327 VanDerWaalsContact C-N 3.34Å; L325-T327 PolarHBondContact O-N 3.1Å; L325-N328 PolarHBondContact O-N 3.22Å; L325-I329 HydrophobicContact CD1-CD1 4.33Å; L325-I329 HydrophobicContact CG-CD1 4.09Å; L325-I329 WeakPolarHBondContact O-CG1 3.47Å; L325-I329 PolarHBondContact O-N 3.14Å; L325-L334 HydrophobicContact CD1-CD1 3.59Å
326	V	94.4	Very high	93.6	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-42.8	-179.8	173.7	0	0	0	0	110.6	F256 L259 F295 L305 V322 N328 I329 I330	F256-V326 HydrophobicContact CE1-CG1 4.05Å; F256-V326 HydrophobicContact CE1-CG2 4.25Å; F256-V326 HydrophobicContact CZ-CG1 4.09Å; L259-V326 HydrophobicContact CD1-CG2 4.46Å; F295-V326 HydrophobicContact CE1-CG2 4.27Å; L305-V326 HydrophobicContact CD1-CG1 3.98Å; L305-V326 HydrophobicContact CD2-CB 4.13Å; L305-V326 HydrophobicContact CD2-CG1 4.09Å; V322-V326 WeakPolarHBondContact O-CG2 3.33Å; V322-V326 PolarHBondContact O-N 3.5Å; V326-N328 PolarHBondContact O-N 3.23Å; V326-I329 PolarHBondContact O-N 3.24Å; V326-I330 HydrophobicContact CG1-CD1 3.86Å; V326-I330 HydrophobicContact CG1-CG1 4.47Å; V326-I330 WeakPolarHBondContact O-CG1 3.48Å; V326-I330 PolarHBondContact O-N 3.38Å
327	T	95	Very high	93.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.3	-44.7	176.9	-60.9	0	0	0	0	111.8	F307 T310 D323 L325 I330 R331	F307-T327 HydrophobicContact CD1-CG2 3.76Å; F307-T327 HydrophobicContact CE1-CG2 3.97Å; F307-T327 HydrophobicContact CG-CG2 4.28Å; T310-T327 HydrophobicContact CG2-CG2 3.91Å; D323-T327 VanDerWaalsContact O-CB 3.3Å; D323-T327 WeakPolarHBondContact O-CB 3.5Å; D323-T327 PolarHBondContact O-N 2.88Å; D323-T327 PolarHBondContact O-OG1 3.46Å; L325-T327 VanDerWaalsContact C-N 3.34Å; L325-T327 PolarHBondContact O-N 3.1Å; T327-I330 PolarHBondContact O-N 3.25Å; T327-R331 WeakPolarHBondContact O-CB 3.1Å; T327-R331 WeakPolarHBondContact O-CG 3.45Å; T327-R331 PolarHBondContact O-N 3.31Å
328	N	95.8	Very high	93.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-69.6	-31.6	178.3	-83.4	-70.1	0	0	0	113.2	T310 V311 P312 C313 D324 L325 V326 G332 N333 L334	T310-N328 WeakPolarHBondContact CG2-ND2 3.3Å; V311-N328 PolarHBondContact O-ND2 2.67Å; V311-N328 PolarHBondContact O-OD1 3.25Å; P312-N328 WeakPolarHBondContact CA-OD1 3.44Å; C313-N328 PolarHBondContact N-OD1 3.45Å; D324-N328 WeakPolarHBondContact O-CB 3.48Å; D324-N328 PolarHBondContact O-N 2.92Å; D324-N328 PolarHBondContact O-ND2 3.09Å; L325-N328 PolarHBondContact O-N 3.22Å; V326-N328 PolarHBondContact O-N 3.23Å; N328-G332 PolarHBondContact O-N 2.88Å; N328-N333 HydrophobicContact CB-CB 4.28Å; N328-N333 PolarHBondContact O-N 2.99Å; N328-N333 PolarHBondContact OD1-ND2 3.27Å; N328-L334 HydrophobicContact CB-CD1 3.84Å; N328-L334 HydrophobicContact CB-CG 4.07Å; N328-L334 PolarHBondContact O-N 3.11Å
329	I	95.8	Very high	93.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.6	-47.4	171.8	-68.6	167.1	0	0	0	110.4	R216 L270 L293 F295 L325 V326 R331 G332 L334 V340	R216-I329 PolarHBondContact NH1-O 3.15Å; R216-I329 PolarHBondContact NH2-O 3.23Å; L270-I329 HydrophobicContact CD2-CD1 3.79Å; L293-I329 HydrophobicContact CD1-CG2 3.93Å; F295-I329 HydrophobicContact CE2-CG2 4.06Å; F295-I329 HydrophobicContact CZ-CD1 4.11Å; L325-I329 HydrophobicContact CD1-CD1 4.33Å; L325-I329 HydrophobicContact CG-CD1 4.09Å; L325-I329 WeakPolarHBondContact O-CG1 3.47Å; L325-I329 PolarHBondContact O-N 3.14Å; V326-I329 PolarHBondContact O-N 3.24Å; I329-R331 PolarHBondContact O-N 3.03Å; I329-G332 PolarHBondContact O-N 2.83Å; I329-L334 HydrophobicContact CG1-CB 3.91Å; I329-V340 HydrophobicContact CG2-CG2 3.92Å
330	I	95.4	Very high	93.8	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-63.3	-43.7	179.2	-67.6	169.4	0	0	0	110.7	R216 L305 F307 V326 T327 G332 V342 I352	R216-I330 PolarHBondContact NH1-O 3.19Å; L305-I330 HydrophobicContact CD1-CD1 4.15Å; F307-I330 HydrophobicContact CE1-CB 3.93Å; F307-I330 HydrophobicContact CE1-CD1 4.39Å; F307-I330 HydrophobicContact CE1-CG2 3.68Å; F307-I330 HydrophobicContact CZ-CB 4.32Å; F307-I330 HydrophobicContact CZ-CD1 3.92Å; F307-I330 HydrophobicContact CZ-CG2 4.05Å; V326-I330 HydrophobicContact CG1-CD1 3.86Å; V326-I330 HydrophobicContact CG1-CG1 4.47Å; V326-I330 WeakPolarHBondContact O-CG1 3.48Å; V326-I330 PolarHBondContact O-N 3.38Å; T327-I330 PolarHBondContact O-N 3.25Å; I330-G332 PolarHBondContact O-N 2.81Å; I330-V342 HydrophobicContact CD1-CG2 4.4Å; I330-I352 HydrophobicContact CG2-CG2 4.35Å
331	R	94.5	Very high	93.9	Very high	60 Å²	60	23.6 Å²	23.6	23%	0.226	13%	0.13	C	C	.	.	H	α-helix	trans	-61.7	-21.1	174.3	-76.1	176.9	173.7	174	-5.8	113.9	F307 T310 T327 I329 L356	F307-R331 HydrophobicContact CD1-CG 4.27Å; F307-R331 PolarHBondContact O-NH2 3.26Å; T310-R331 PolarHBondContact O-NH1 2.96Å; T327-R331 WeakPolarHBondContact O-CB 3.1Å; T327-R331 WeakPolarHBondContact O-CG 3.45Å; T327-R331 PolarHBondContact O-N 3.31Å; I329-R331 PolarHBondContact O-N 3.03Å; R331-L356 HydrophobicContact CG-CD1 4.14Å
332	G	93.3	Very high	94.1	Very high	18 Å²	18	22.1 Å²	22.1	19%	0.186	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	14.2	-175.5	0	0	0	0	0	115.1	R216 N328 I329 I330	R216-G332 VanDerWaalsContact CZ-CA 3.46Å; R216-G332 VanDerWaalsContact NH2-CA 3.32Å; N328-G332 PolarHBondContact O-N 2.88Å; I329-G332 PolarHBondContact O-N 2.83Å; I330-G332 PolarHBondContact O-N 2.81Å
333	N	93.8	Very high	94.3	Very high	51 Å²	51	21.8 Å²	21.8	27%	0.273	12%	0.118	S	C	.	.	S	Bend	trans	-74.2	-34	172	-62.6	-28.5	0	0	0	111.4	C313 N328	C313-N333 CarbonylContact O-C 3.12Å; C313-N333 VanDerWaalsContact O-CB 3.27Å; C313-N333 WeakPolarHBondContact O-CB 3.34Å; N328-N333 HydrophobicContact CB-CB 4.28Å; N328-N333 PolarHBondContact O-N 2.99Å; N328-N333 PolarHBondContact OD1-ND2 3.27Å
334	L	93.6	Very high	94.4	Very high	4 Å²	4	20 Å²	20	2%	0.021	11%	0.108	C	C	.	.	S	Bend	trans	-111.3	139.1	171.6	-67.2	172.6	0	0	0	109.5	C313 L325 N328 I329	C313-L334 HydrophobicContact CB-CD1 4.33Å; C313-L334 WeakPolarHBondContact O-CD2 3.25Å; C313-L334 VanDerWaalsContact O-CG 3.24Å; C313-L334 WeakPolarHBondContact O-CG 3.45Å; L325-L334 HydrophobicContact CD1-CD1 3.59Å; N328-L334 HydrophobicContact CB-CD1 3.84Å; N328-L334 HydrophobicContact CB-CG 4.07Å; N328-L334 PolarHBondContact O-N 3.11Å; I329-L334 HydrophobicContact CG1-CB 3.91Å
335	L	91.7	Very high	94.4	Very high	10 Å²	10	18.9 Å²	18.9	5%	0.052	10%	0.101	C	C	.	.	S	Bend	trans	51.3	58.4	-179.7	-52.5	174.9	0	0	0	111.9	R216 A267 L285 L293 E337 A338	R216-L335 PolarHBondContact NH2-O 3.04Å; R216-L335 VanDerWaalsContact NH2-O 3.16Å; A267-L335 HydrophobicContact CB-CD1 4.49Å; L285-L335 HydrophobicContact CD2-CD2 3.7Å; L293-L335 HydrophobicContact CD1-CB 4.31Å; L293-L335 HydrophobicContact CD1-CD1 3.65Å; L293-L335 HydrophobicContact CD2-CD1 4.43Å; L335-E337 VanDerWaalsContact C-N 3.29Å; L335-E337 PolarHBondContact O-N 3.47Å; L335-A338 HydrophobicContact CB-CB 3.9Å; L335-A338 PolarHBondContact O-N 3.17Å
336	P	90.5	Very high	94.2	Very high	71 Å²	71	18.9 Å²	18.9	46%	0.461	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-36.9	-175.7	23.8	-33.1	0	0	0	112.6	R216 A338	R216-P336 WeakPolarHBondContact CD-O 3.31Å; R216-P336 PolarHBondContact NE-O 3.21Å; P336-A338 VanDerWaalsContact C-N 3.32Å; P336-A338 PolarHBondContact O-N 2.87Å
337	E	88.6	Confident	94	Very high	141 Å²	141	20.3 Å²	20.3	66%	0.659	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-9.4	-179	-57.4	-54.4	139.3	0	0	113.9	L335	L335-E337 VanDerWaalsContact C-N 3.29Å; L335-E337 PolarHBondContact O-N 3.47Å
338	A	91.6	Very high	93.7	Very high	6 Å²	6	22.4 Å²	22.4	5%	0.05	13%	0.125	C	C	.	.	S	Bend	trans	-80	134.6	177.9	0	0	0	0	0	110.7	L293 L335 P336	L293-A338 HydrophobicContact CD1-CB 3.7Å; L293-A338 HydrophobicContact CG-CB 4.27Å; L335-A338 HydrophobicContact CB-CB 3.9Å; L335-A338 PolarHBondContact O-N 3.17Å; P336-A338 VanDerWaalsContact C-N 3.32Å; P336-A338 PolarHBondContact O-N 2.87Å
339	A	95.3	Very high	93.6	Very high	10 Å²	10	22.5 Å²	22.5	8%	0.083	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	142.5	165	0	0	0	0	0	109.1	L205 R216 T291 L292 L293	L205-A339 HydrophobicContact CD2-CB 4.32Å; R216-A339 CarbonylContact O-C 3.5Å; R216-A339 WeakPolarHBondContact O-CA 3.47Å; T291-A339 PolarHBondContact O-N 2.9Å; L292-A339 WeakPolarHBondContact CA-O 3.37Å; L292-A339 HydrophobicContact CD1-CB 3.8Å; L293-A339 PolarHBondContact N-O 3.01Å
340	V	97.3	Very high	93.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.7	-178.6	-174.7	0	0	0	0	108.5	R216 V217 S218 L293 F295 I329 V342	R216-V340 PolarHBondContact O-N 2.78Å; V217-V340 WeakPolarHBondContact CA-O 3.34Å; V217-V340 HydrophobicContact CG2-CB 4.47Å; S218-V340 PolarHBondContact N-O 3.21Å; L293-V340 HydrophobicContact CD1-CG2 4.35Å; L293-V340 CarbonylContact O-C 3.38Å; L293-V340 WeakPolarHBondContact O-CA 3.07Å; F295-V340 HydrophobicContact CD2-CG1 3.92Å; F295-V340 HydrophobicContact CE2-CG1 4.15Å; I329-V340 HydrophobicContact CG2-CG2 3.92Å; V340-V342 HydrophobicContact CG1-CG2 3.91Å
341	W	97.6	Very high	93.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	117	172.5	-178.4	24.6	0	0	0	110	L201 L204 S218 T220 L231 V232 F235 L292 L293 I294 F295 T343	L201-W341 HydrophobicContact CD1-CH2 4.29Å; L204-W341 HydrophobicContact CD2-CD2 3.61Å; L204-W341 HydrophobicContact CD2-CE3 3.95Å; L204-W341 HydrophobicContact CD2-CG 4Å; L204-W341 HydrophobicContact CD2-CH2 4.31Å; L204-W341 HydrophobicContact CD2-CZ2 3.98Å; L204-W341 HydrophobicContact CD2-CZ3 4.29Å; S218-W341 CarbonylContact O-C 3.58Å; S218-W341 VanDerWaalsContact O-CA 3.32Å; S218-W341 WeakPolarHBondContact O-CA 3.24Å; T220-W341 PolarHBondContact OG1-NE1 3.19Å; L231-W341 HydrophobicContact CD2-CH2 4.37Å; L231-W341 HydrophobicContact CD2-CZ2 4.08Å; L231-W341 HydrophobicContact CG-CH2 4.29Å; L231-W341 HydrophobicContact CG-CZ2 4.49Å; V232-W341 HydrophobicContact CG2-CH2 3.97Å; V232-W341 HydrophobicContact CG2-CZ2 4.33Å; V232-W341 HydrophobicContact CG2-CZ3 4.16Å; F235-W341 HydrophobicContact CB-CH2 3.99Å; F235-W341 HydrophobicContact CB-CZ3 3.68Å; F235-W341 HydrophobicContact CD1-CE3 4.44Å; F235-W341 AromaticContact CD1-CZ3 3.86Å; F235-W341 HydrophobicContact CD1-CZ3 3.86Å; F235-W341 HydrophobicContact CD2-CH2 4.45Å; F235-W341 AromaticContact CD2-CZ3 3.96Å; F235-W341 HydrophobicContact CD2-CZ3 3.96Å; F235-W341 HydrophobicContact CG-CE3 4.43Å; F235-W341 HydrophobicContact CG-CH2 4.21Å; F235-W341 AromaticContact CG-CZ3 3.55Å; F235-W341 HydrophobicContact CG-CZ3 3.55Å; L292-W341 HydrophobicContact CD1-CB 4.06Å; L293-W341 PolarHBondContact O-N 3.28Å; I294-W341 CarbonylContact C-O 3.42Å; I294-W341 WeakPolarHBondContact CA-O 3.32Å; I294-W341 HydrophobicContact CD1-CE3 3.75Å; I294-W341 HydrophobicContact CD1-CZ3 4.05Å; I294-W341 HydrophobicContact CG1-CB 4.46Å; I294-W341 HydrophobicContact CG1-CE3 3.93Å; I294-W341 HydrophobicContact CG2-CD2 4.25Å; I294-W341 HydrophobicContact CG2-CE3 3.85Å; I294-W341 HydrophobicContact CG2-CZ3 4.46Å; F295-W341 PolarHBondContact N-O 2.78Å; W341-T343 HydrophobicContact CZ2-CG2 4.4Å
342	V	97.4	Very high	93	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.4	179.2	-174.8	0	0	0	0	109.4	S218 L219 T220 F256 F295 L298 I330 V340	S218-V342 PolarHBondContact O-N 2.93Å; L219-V342 CarbonylContact C-O 3.43Å; L219-V342 WeakPolarHBondContact CA-O 3.39Å; L219-V342 HydrophobicContact CD1-CB 3.93Å; L219-V342 HydrophobicContact CD1-CG1 4.02Å; T220-V342 PolarHBondContact N-O 3.4Å; F256-V342 HydrophobicContact CE2-CG1 4.36Å; F295-V342 HydrophobicContact CB-CG2 4.43Å; F295-V342 WeakPolarHBondContact O-CA 3.39Å; L298-V342 HydrophobicContact CB-CG1 4.31Å; L298-V342 HydrophobicContact CD2-CG1 4.45Å; I330-V342 HydrophobicContact CD1-CG2 4.4Å; V340-V342 HydrophobicContact CG1-CG2 3.91Å
343	T	96.8	Very high	92.9	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	140.9	167.3	82.7	0	0	0	0	110.5	T220 V232 F295 D296 G297 L298 W341	T220-T343 VanDerWaalsContact O-CA 3.31Å; T220-T343 WeakPolarHBondContact O-CA 3.33Å; V232-T343 HydrophobicContact CG2-CG2 3.56Å; F295-T343 PolarHBondContact O-N 2.7Å; D296-T343 WeakPolarHBondContact CA-OG1 3.08Å; D296-T343 PolarHBondContact OD1-OG1 2.69Å; G297-T343 PolarHBondContact N-O 2.83Å; G297-T343 PolarHBondContact N-OG1 3.36Å; L298-T343 PolarHBondContact N-O 2.64Å; W341-T343 HydrophobicContact CZ2-CG2 4.4Å
344	S	95.1	Very high	92.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	156	-177.8	-177.1	0	0	0	0	112.3	T220 V221 G222 A349	T220-S344 PolarHBondContact O-N 3.01Å; T220-S344 VanDerWaalsContact O-N 3.11Å; V221-S344 WeakPolarHBondContact CA-O 3.47Å; G222-S344 PolarHBondContact N-O 2.8Å; S344-A349 PolarHBondContact OG-N 3.16Å
345	R	93.3	Very high	92.4	Very high	21 Å²	21	32.9 Å²	32.9	8%	0.079	22%	0.22	C	C	.	.			trans	-62.1	147.8	158.5	-72.6	174	66.2	-167.9	-0.8	111.2	D181 D299 A347 V348 A349	D181-R345 IonicContact OD1-CZ 2.97Å; D181-R345 IonicContact OD1-NE 3.09Å; D181-R345 PolarHBondContact OD1-NE 2.97Å; D181-R345 VanDerWaalsContact OD1-NE 3.11Å; D181-R345 IonicContact OD1-NH2 3.72Å; D181-R345 PolarHBondContact OD1-NH2 3.33Å; D181-R345 IonicContact OD2-CZ 2.63Å; D181-R345 VanDerWaalsContact OD2-CZ 3.28Å; D181-R345 IonicContact OD2-NE 2.68Å; D181-R345 PolarHBondContact OD2-NE 2.8Å; D181-R345 IonicContact OD2-NH2 3.4Å; D181-R345 PolarHBondContact OD2-NH2 2.88Å; D299-R345 HydrophobicContact CB-CB 4.11Å; D299-R345 HydrophobicContact CB-CG 4.17Å; D299-R345 PolarHBondContact OD1-N 3.44Å; D299-R345 WeakPolarHBondContact OD2-CD 3.11Å; D299-R345 VanDerWaalsContact OD2-CG 3.32Å; D299-R345 WeakPolarHBondContact OD2-CG 3.41Å; R345-A347 PolarHBondContact O-N 3.18Å; R345-V348 PolarHBondContact O-N 3.42Å; R345-A349 VanDerWaalsContact O-CB 3.3Å; R345-A349 WeakPolarHBondContact O-CB 3.24Å; R345-A349 PolarHBondContact O-N 3.32Å
346	P	91.8	Very high	92.4	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.013	23%	0.23	C	C	.	.	H	α-helix	trans	-60.2	-39.7	-172.6	-24.4	34	0	0	0	114.9	L172 Q176 V221 V348 A349 S350	L172-P346 WeakPolarHBondContact CD1-O 3.49Å; L172-P346 HydrophobicContact CD2-CB 4.48Å; Q176-P346 HydrophobicContact CB-CB 3.88Å; Q176-P346 WeakPolarHBondContact O-CB 3.31Å; V221-P346 HydrophobicContact CB-CG 4.32Å; P346-V348 PolarHBondContact O-N 2.8Å; P346-A349 WeakPolarHBondContact O-CB 3.25Å; P346-A349 PolarHBondContact O-N 3.43Å; P346-S350 PolarHBondContact O-N 2.94Å
347	A	88.9	Confident	92.6	Very high	30 Å²	30	32.8 Å²	32.8	25%	0.248	22%	0.216	C	C	.	.	H	α-helix	trans	-60	-47.9	179.4	0	0	0	0	0	112	Q176 R345 S350	Q176-A347 PolarHBondContact O-N 3.04Å; R345-A347 PolarHBondContact O-N 3.18Å; A347-S350 WeakPolarHBondContact O-CB 3.22Å; A347-S350 PolarHBondContact O-N 3.42Å; A347-S350 PolarHBondContact O-OG 2.99Å
348	V	90.4	Very high	92.8	Very high	45 Å²	45	30.7 Å²	30.7	27%	0.273	21%	0.21	S	C	.	.	H	α-helix	trans	-70.8	-36.7	178.2	-175.5	0	0	0	0	111.4	L298 D299 R345 P346 S350 L351	L298-V348 HydrophobicContact CD2-CG1 3.97Å; L298-V348 HydrophobicContact CG-CG1 3.78Å; D299-V348 HydrophobicContact CB-CB 4.3Å; D299-V348 HydrophobicContact CB-CG2 3.84Å; R345-V348 PolarHBondContact O-N 3.42Å; P346-V348 PolarHBondContact O-N 2.8Å; V348-S350 PolarHBondContact O-N 2.78Å; V348-L351 HydrophobicContact CG1-CD1 4.44Å; V348-L351 WeakPolarHBondContact O-CB 3.5Å; V348-L351 WeakPolarHBondContact O-CG 3.36Å; V348-L351 PolarHBondContact O-N 2.61Å; V348-L351 VanDerWaalsContact O-N 3.15Å
349	A	92.5	Very high	92.9	Very high	2 Å²	2	31.1 Å²	31.1	2%	0.017	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-31.8	176.7	0	0	0	0	0	112.6	L172 L219 V221 S344 R345 P346 L351 I352	L172-A349 HydrophobicContact CD1-CB 4.11Å; L219-A349 HydrophobicContact CD1-CB 4.3Å; L219-A349 HydrophobicContact CD2-CB 4.15Å; V221-A349 HydrophobicContact CG1-CB 3.52Å; S344-A349 PolarHBondContact OG-N 3.16Å; R345-A349 VanDerWaalsContact O-CB 3.3Å; R345-A349 WeakPolarHBondContact O-CB 3.24Å; R345-A349 PolarHBondContact O-N 3.32Å; P346-A349 WeakPolarHBondContact O-CB 3.25Å; P346-A349 PolarHBondContact O-N 3.43Å; A349-L351 PolarHBondContact O-N 3.13Å; A349-I352 PolarHBondContact O-N 3.33Å; A349-I352 VanDerWaalsContact O-N 3.14Å
350	S	90.8	Very high	92.8	Very high	43 Å²	43	31.7 Å²	31.7	30%	0.301	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-17	179.8	79.9	0	0	0	0	114.3	P346 A347 V348 I352	P346-S350 PolarHBondContact O-N 2.94Å; A347-S350 WeakPolarHBondContact O-CB 3.22Å; A347-S350 PolarHBondContact O-N 3.42Å; A347-S350 PolarHBondContact O-OG 2.99Å; V348-S350 PolarHBondContact O-N 2.78Å; S350-I352 PolarHBondContact O-N 3Å
351	L	89.7	Confident	92.6	Very high	105 Å²	105	31.7 Å²	31.7	55%	0.55	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.8	174.9	-57.6	176.4	0	0	0	112.2	V348 A349 P353	V348-L351 HydrophobicContact CG1-CD1 4.44Å; V348-L351 WeakPolarHBondContact O-CB 3.5Å; V348-L351 WeakPolarHBondContact O-CG 3.36Å; V348-L351 PolarHBondContact O-N 2.61Å; V348-L351 VanDerWaalsContact O-N 3.15Å; A349-L351 PolarHBondContact O-N 3.13Å; L351-P353 WeakPolarHBondContact O-CD 3.48Å
352	I	92.8	Very high	92.3	Very high	11 Å²	11	32.9 Å²	32.9	6%	0.056	22%	0.217	C	C	.	.	S	Bend	trans	-78.1	122.2	174.3	-55.2	177.4	0	0	0	108.6	L219 L298 F307 I330 A349 S350 G354 V357	L219-I352 HydrophobicContact CD1-CD1 4.19Å; L219-I352 HydrophobicContact CD2-CD1 4.29Å; L298-I352 HydrophobicContact CD2-CD1 4Å; L298-I352 HydrophobicContact CD2-CG1 4.41Å; F307-I352 HydrophobicContact CE2-CB 4.37Å; F307-I352 HydrophobicContact CE2-CG1 3.97Å; F307-I352 HydrophobicContact CE2-CG2 4.49Å; F307-I352 HydrophobicContact CZ-CG1 4.1Å; F307-I352 HydrophobicContact CZ-CG2 4.22Å; I330-I352 HydrophobicContact CG2-CG2 4.35Å; A349-I352 PolarHBondContact O-N 3.33Å; A349-I352 VanDerWaalsContact O-N 3.14Å; S350-I352 PolarHBondContact O-N 3Å; I352-G354 PolarHBondContact O-N 3.07Å; I352-V357 HydrophobicContact CG2-CG2 3.78Å
353	P	92.3	Very high	91.9	Very high	55 Å²	55	33 Å²	33	36%	0.357	22%	0.217	S	C	.	.			trans	-57	127.1	177.7	-25.3	33.5	0	0	0	111.8	F307 L351 G355 L356	F307-P353 HydrophobicContact CB-CG 3.74Å; F307-P353 HydrophobicContact CD2-CG 4.49Å; F307-P353 HydrophobicContact CG-CG 4.06Å; L351-P353 WeakPolarHBondContact O-CD 3.48Å; P353-G355 PolarHBondContact O-N 3.18Å; P353-L356 HydrophobicContact CB-CD1 4.34Å; P353-L356 HydrophobicContact CB-CG 4.38Å; P353-L356 HydrophobicContact CG-CD1 4.19Å; P353-L356 WeakPolarHBondContact O-CB 3.47Å; P353-L356 PolarHBondContact O-N 3.18Å
354	G	87.1	Confident	91.4	Very high	65 Å²	65	33.9 Å²	33.9	67%	0.67	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-60.2	-19.8	-176.7	0	0	0	0	0	115	I352 L356 V357	I352-G354 PolarHBondContact O-N 3.07Å; G354-L356 PolarHBondContact O-N 3.19Å; G354-V357 PolarHBondContact O-N 3.22Å
355	G	88.7	Confident	91	Very high	72 Å²	72	34.1 Å²	34.1	74%	0.742	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-73.2	-11.9	172.9	0	0	0	0	0	114.8	P353	P353-G355 PolarHBondContact O-N 3.18Å
356	L	92.4	Very high	90.8	Very high	51 Å²	51	33.5 Å²	33.5	27%	0.267	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-98	-4.4	175.1	-61.7	178.7	0	0	0	112.7	V217 F307 R331 P353 G354	V217-L356 VanDerWaalsContact CB-O 3.27Å; V217-L356 WeakPolarHBondContact CB-O 3.38Å; F307-L356 HydrophobicContact CD1-CD1 3.71Å; F307-L356 HydrophobicContact CE1-CD1 4.1Å; R331-L356 HydrophobicContact CG-CD1 4.14Å; P353-L356 HydrophobicContact CB-CD1 4.34Å; P353-L356 HydrophobicContact CB-CG 4.38Å; P353-L356 HydrophobicContact CG-CD1 4.19Å; P353-L356 WeakPolarHBondContact O-CB 3.47Å; P353-L356 PolarHBondContact O-N 3.18Å; G354-L356 PolarHBondContact O-N 3.19Å
357	V	94.2	Very high	90.5	Very high	28 Å²	28	34.6 Å²	34.6	17%	0.17	23%	0.231	C	C	.	.			trans	-106.8	107.2	-177.2	179.9	0	0	0	0	108.8	L219 I352 G354 R359 L360	L219-V357 HydrophobicContact CB-CG1 3.74Å; L219-V357 HydrophobicContact CB-CG2 4.41Å; L219-V357 HydrophobicContact CD2-CG1 4.37Å; L219-V357 HydrophobicContact CD2-CG2 3.98Å; I352-V357 HydrophobicContact CG2-CG2 3.78Å; G354-V357 PolarHBondContact O-N 3.22Å; V357-R359 VanDerWaalsContact CG1-O 3.31Å; V357-R359 WeakPolarHBondContact CG1-O 3.26Å; V357-L360 HydrophobicContact CG1-CB 4.33Å
358	D	93.6	Very high	90.4	Very high	97 Å²	97	37 Å²	37	52%	0.519	25%	0.245	S	C	.	.	S	Bend	trans	-75.1	-31.4	178.6	-57.6	-48.9	0	0	0	111.8	P215 R216 V217	P215-D358 HydrophobicContact CB-CB 3.73Å; R216-D358 WeakPolarHBondContact CA-OD2 3.44Å; R216-D358 VanDerWaalsContact CB-OD2 3.32Å; R216-D358 WeakPolarHBondContact CB-OD2 3.37Å; R216-D358 PolarHBondContact N-OD2 3.21Å; V217-D358 PolarHBondContact N-OD2 2.9Å; V217-D358 PolarHBondContact O-N 3.46Å
359	R	92.8	Very high	90.2	Very high	15 Å²	15	42.9 Å²	42.9	6%	0.057	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	126.8	-179.1	-176.8	163.4	-60.4	-164.9	8.5	111.5	L168 K203 L204 E206 P215 V217 S218 L219 V357 T361	L168-R359 HydrophobicContact CD1-CG 4.13Å; K203-R359 PolarHBondContact O-NH1 3.46Å; L204-R359 VanDerWaalsContact O-CD 3.28Å; L204-R359 WeakPolarHBondContact O-CD 3.47Å; L204-R359 PolarHBondContact O-NH1 3Å; L204-R359 VanDerWaalsContact O-NH1 3.15Å; E206-R359 VanDerWaalsContact O-CZ 3.28Å; E206-R359 PolarHBondContact O-NH1 2.94Å; E206-R359 VanDerWaalsContact O-NH1 3.1Å; E206-R359 PolarHBondContact O-NH2 2.77Å; P215-R359 HydrophobicContact CB-CB 3.9Å; P215-R359 HydrophobicContact CG-CB 4.41Å; V217-R359 PolarHBondContact O-N 3.4Å; V217-R359 VanDerWaalsContact O-N 3.11Å; S218-R359 CarbonylContact C-O 3.5Å; S218-R359 WeakPolarHBondContact CA-O 3.32Å; L219-R359 PolarHBondContact N-O 3.41Å; V357-R359 VanDerWaalsContact CG1-O 3.31Å; V357-R359 WeakPolarHBondContact CG1-O 3.26Å; R359-T361 HydrophobicContact CG-CG2 4.14Å
360	L	93.4	Very high	89.9	Confident	22 Å²	22	45.2 Å²	45.2	12%	0.115	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126	171.3	-179.7	70.2	0	0	0	109.9	V169 L172 L219 V221 V357	V169-L360 HydrophobicContact CB-CD2 4.36Å; V169-L360 HydrophobicContact CB-CG 4.48Å; V169-L360 PolarHBondContact N-O 3.03Å; V169-L360 WeakPolarHBondContact O-CB 3.3Å; L172-L360 HydrophobicContact CD2-CD1 4.37Å; L172-L360 HydrophobicContact CD2-CD2 4.02Å; L172-L360 HydrophobicContact CG-CD2 4.17Å; L219-L360 HydrophobicContact CB-CD1 4.03Å; L219-L360 HydrophobicContact CD2-CD1 3.94Å; L219-L360 HydrophobicContact CG-CD1 3.84Å; L219-L360 CarbonylContact O-C 3.3Å; L219-L360 WeakPolarHBondContact O-CA 3.25Å; V221-L360 HydrophobicContact CG1-CD1 3.99Å; V221-L360 HydrophobicContact CG2-CD1 4.35Å; V357-L360 HydrophobicContact CG1-CB 4.33Å
361	T	93.2	Very high	89.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	153	175.9	52	0	0	0	0	111.3	L166 L167 L199 L204 L219 T220 V221 R359	L166-T361 HydrophobicContact CB-CG2 4.26Å; L166-T361 HydrophobicContact CD1-CG2 4.25Å; L167-T361 CarbonylContact O-C 3.44Å; L167-T361 WeakPolarHBondContact O-CA 3.4Å; L199-T361 HydrophobicContact CD2-CG2 3.85Å; L204-T361 HydrophobicContact CD1-CG2 4.33Å; L219-T361 PolarHBondContact O-N 3.13Å; L219-T361 PolarHBondContact O-OG1 3.48Å; T220-T361 CarbonylContact C-O 3.49Å; T220-T361 VanDerWaalsContact CA-O 3.3Å; T220-T361 WeakPolarHBondContact CA-O 3.35Å; T220-T361 PolarHBondContact OG1-OG1 3.35Å; V221-T361 WeakPolarHBondContact CG2-O 3.47Å; V221-T361 PolarHBondContact N-O 2.65Å; R359-T361 HydrophobicContact CG-CG2 4.14Å
362	E	91.4	Very high	89.8	Confident	26 Å²	26	44.5 Å²	44.5	12%	0.121	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.4	175.4	-178.8	174.6	-178.9	0	0	110	L167 V169 Q176 R193 V221 P364	L167-E362 HydrophobicContact CB-CB 4.35Å; L167-E362 PolarHBondContact N-O 3.07Å; L167-E362 PolarHBondContact O-N 3.36Å; V169-E362 HydrophobicContact CG2-CB 3.7Å; Q176-E362 PolarHBondContact NE2-OE1 3.38Å; Q176-E362 PolarHBondContact NE2-OE2 2.7Å; R193-E362 IonicContact CZ-OE2 2.74Å; R193-E362 IonicContact NH1-OE2 2.75Å; R193-E362 PolarHBondContact NH1-OE2 3.38Å; V221-E362 HydrophobicContact CG2-CB 4.11Å; V221-E362 HydrophobicContact CG2-CG 4.32Å; V221-E362 WeakPolarHBondContact O-CA 3.39Å; E362-P364 WeakPolarHBondContact O-CD 3.38Å
363	I	89.1	Confident	89.6	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.01	28%	0.283	C	S	.	.			trans	-86.7	119.3	175.7	-54.5	-176	0	0	0	109	L166 T220 V221 I226 K228 L231	L166-I363 HydrophobicContact CD2-CG1 3.87Å; T220-I363 HydrophobicContact CG2-CD1 3.71Å; T220-I363 HydrophobicContact CG2-CG1 3.38Å; V221-I363 PolarHBondContact O-N 3.33Å; I226-I363 HydrophobicContact CG1-CG2 4.45Å; I226-I363 HydrophobicContact CG2-CB 4.3Å; I226-I363 HydrophobicContact CG2-CG2 4.43Å; K228-I363 HydrophobicContact CB-CD1 4.12Å; K228-I363 HydrophobicContact CG-CD1 3.73Å; L231-I363 HydrophobicContact CB-CD1 4.16Å; L231-I363 HydrophobicContact CD2-CD1 3.52Å; L231-I363 HydrophobicContact CD2-CG1 3.93Å; L231-I363 HydrophobicContact CG-CD1 4.48Å
364	P	86.9	Confident	89.4	Confident	20 Å²	20	46.3 Å²	46.3	13%	0.13	27%	0.267	C	S	.	.			trans	-71.6	146.5	172.3	30.8	-33.4	0	0	0	111.1	I165 L167 E362	I165-P364 VanDerWaalsContact O-CD 3.24Å; I165-P364 WeakPolarHBondContact O-CD 3.34Å; I165-P364 VanDerWaalsContact O-CG 3.25Å; I165-P364 WeakPolarHBondContact O-CG 3.35Å; L167-P364 HydrophobicContact CD1-CB 4.29Å; L167-P364 HydrophobicContact CG-CG 4.5Å; E362-P364 WeakPolarHBondContact O-CD 3.38Å
365	G	86.7	Confident	89.5	Confident	4 Å²	4	43.4 Å²	43.4	4%	0.041	24%	0.236	C	C	.	.			trans	-83.8	-170.2	168.8	0	0	0	0	0	112.4	I226 S367 Y403	I226-G365 VanDerWaalsContact CD1-CA 3.42Å; G365-S367 PolarHBondContact O-N 3.48Å; G365-Y403 CarbonylContact C-O 3.51Å; G365-Y403 VanDerWaalsContact CA-CZ 3.45Å; G365-Y403 WeakPolarHBondContact CA-O 3.48Å; G365-Y403 VanDerWaalsContact N-CE2 3.3Å; G365-Y403 PolarHBondContact N-OH 3.37Å
366	F	87.1	Confident	89.5	Confident	9 Å²	9	42.9 Å²	42.9	4%	0.039	22%	0.22	C	C	.	.			trans	-71.6	126.3	179.6	-68.8	-24.2	0	0	0	112	F160 E370 I371 F374 Y403 P405 C408	F160-F366 HydrophobicContact CB-CE1 4.14Å; F160-F366 HydrophobicContact CB-CZ 4.21Å; F366-E370 HydrophobicContact CB-CB 4.06Å; F366-E370 HydrophobicContact CD1-CB 4.02Å; F366-E370 HydrophobicContact CG-CB 4.2Å; F366-I371 HydrophobicContact CB-CD1 4.46Å; F366-I371 HydrophobicContact CB-CG1 3.67Å; F366-I371 HydrophobicContact CD2-CG1 4.41Å; F366-F374 HydrophobicContact CE2-CB 4.25Å; F366-F374 AromaticContact CE2-CD2 3.89Å; F366-F374 HydrophobicContact CE2-CD2 3.89Å; F366-F374 HydrophobicContact CE2-CE2 4.43Å; F366-F374 HydrophobicContact CE2-CG 4.02Å; F366-F374 HydrophobicContact CZ-CD2 4.12Å; F366-Y403 PolarHBondContact N-O 3.35Å; F366-Y403 WeakPolarHBondContact O-CD2 3.44Å; F366-P405 HydrophobicContact CD1-CG 3.98Å; F366-P405 HydrophobicContact CD2-CB 4.18Å; F366-P405 HydrophobicContact CD2-CG 4.08Å; F366-P405 HydrophobicContact CE1-CB 4.2Å; F366-P405 HydrophobicContact CE1-CG 3.79Å; F366-P405 HydrophobicContact CE2-CB 3.62Å; F366-P405 HydrophobicContact CE2-CG 3.89Å; F366-P405 HydrophobicContact CG-CG 4.13Å; F366-P405 HydrophobicContact CZ-CB 3.63Å; F366-P405 HydrophobicContact CZ-CG 3.75Å; F366-C408 HydrophobicContact CD2-CB 4.17Å; F366-C408 HydrophobicContact CE2-CB 4.37Å
367	S	85.6	Confident	89.1	Confident	25 Å²	25	45 Å²	45	18%	0.175	23%	0.229	C	C	.	.			trans	-67.6	159	162	65.8	0	0	0	0	110.9	G365 K369 E370 I371	G365-S367 PolarHBondContact O-N 3.48Å; S367-K369 PolarHBondContact O-N 3.21Å; S367-E370 VanDerWaalsContact CB-OE2 3.27Å; S367-E370 WeakPolarHBondContact CB-OE2 3.46Å; S367-E370 PolarHBondContact N-OE2 3.17Å; S367-E370 WeakPolarHBondContact O-CA 3.36Å; S367-E370 PolarHBondContact O-N 2.71Å; S367-E370 WeakPolarHBondContact OG-CG 3.28Å; S367-E370 PolarHBondContact OG-N 2.83Å; S367-E370 PolarHBondContact OG-OE2 2.86Å; S367-I371 WeakPolarHBondContact O-CG1 3.35Å; S367-I371 PolarHBondContact O-N 2.93Å
368	P	86.9	Confident	88.6	Confident	81 Å²	81	45.4 Å²	45.4	53%	0.526	23%	0.23	S	C	.	.	H	α-helix	trans	-52.5	-31.5	174.3	-29.4	36.3	0	0	0	113.7	R372 W389	P368-R372 PolarHBondContact O-N 3.01Å; P368-W389 HydrophobicContact CB-CH2 4.15Å
369	K	86.7	Confident	88.3	Confident	168 Å²	168	42.3 Å²	42.3	73%	0.73	21%	0.212	S	C	*	.	H	α-helix	trans	-68.7	-44.1	175.1	-64.8	-176.5	-178.5	179.3	0	111.9	S367 R372 L373	S367-K369 PolarHBondContact O-N 3.21Å; K369-R372 PolarHBondContact O-N 2.8Å; K369-L373 WeakPolarHBondContact O-CG 3.26Å; K369-L373 PolarHBondContact O-N 3.2Å
370	E	87.1	Confident	87.6	Confident	51 Å²	51	46.5 Å²	46.5	24%	0.238	24%	0.241	C	C	.	.	H	α-helix	trans	-67.6	-36	177	-71.7	159.4	139.6	0	0	111.9	F366 S367 R372 L373 F374	F366-E370 HydrophobicContact CB-CB 4.06Å; F366-E370 HydrophobicContact CD1-CB 4.02Å; F366-E370 HydrophobicContact CG-CB 4.2Å; S367-E370 VanDerWaalsContact CB-OE2 3.27Å; S367-E370 WeakPolarHBondContact CB-OE2 3.46Å; S367-E370 PolarHBondContact N-OE2 3.17Å; S367-E370 WeakPolarHBondContact O-CA 3.36Å; S367-E370 PolarHBondContact O-N 2.71Å; S367-E370 WeakPolarHBondContact OG-CG 3.28Å; S367-E370 PolarHBondContact OG-N 2.83Å; S367-E370 PolarHBondContact OG-OE2 2.86Å; E370-R372 PolarHBondContact O-N 2.72Å; E370-L373 PolarHBondContact O-N 3.11Å; E370-F374 VanDerWaalsContact O-CB 3.3Å; E370-F374 WeakPolarHBondContact O-CB 3.39Å; E370-F374 PolarHBondContact O-N 3.29Å
371	I	88.6	Confident	86.9	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.015	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-47	172.7	-62.3	170.8	0	0	0	110.2	F366 S367 L373 F374 L375 W389 L392 M399	F366-I371 HydrophobicContact CB-CD1 4.46Å; F366-I371 HydrophobicContact CB-CG1 3.67Å; F366-I371 HydrophobicContact CD2-CG1 4.41Å; S367-I371 WeakPolarHBondContact O-CG1 3.35Å; S367-I371 PolarHBondContact O-N 2.93Å; I371-L373 VanDerWaalsContact C-N 3.34Å; I371-L373 PolarHBondContact O-N 3.27Å; I371-F374 WeakPolarHBondContact O-CB 3.22Å; I371-F374 PolarHBondContact O-N 3.29Å; I371-L375 HydrophobicContact CG2-CD1 4.23Å; I371-L375 HydrophobicContact CG2-CG 4.47Å; I371-L375 WeakPolarHBondContact O-CG 3.35Å; I371-L375 PolarHBondContact O-N 3.1Å; I371-W389 HydrophobicContact CB-CZ3 4.11Å; I371-W389 HydrophobicContact CG2-CE3 4.28Å; I371-W389 HydrophobicContact CG2-CZ3 3.85Å; I371-L392 HydrophobicContact CG2-CD1 4.09Å; I371-M399 HydrophobicContact CD1-SD 4.15Å
372	R	89.4	Confident	86.1	Confident	130 Å²	130	57.4 Å²	57.4	49%	0.491	31%	0.306	S	S	.	.	H	α-helix	trans	-58.4	-45.8	175.6	-74.2	-174.4	-177.2	-170.6	-1.2	112	P368 K369 E370 L375 S376 W389 E393	P368-R372 PolarHBondContact O-N 3.01Å; K369-R372 PolarHBondContact O-N 2.8Å; E370-R372 PolarHBondContact O-N 2.72Å; R372-L375 PolarHBondContact O-N 3.32Å; R372-S376 WeakPolarHBondContact O-CB 3.36Å; R372-S376 PolarHBondContact O-N 3.2Å; R372-S376 PolarHBondContact O-OG 3.14Å; R372-W389 HydrophobicContact CB-CE3 4.45Å; R372-W389 HydrophobicContact CB-CZ3 4.46Å; R372-W389 HydrophobicContact CG-CD2 3.59Å; R372-W389 HydrophobicContact CG-CE3 3.36Å; R372-W389 HydrophobicContact CG-CG 4.43Å; R372-W389 HydrophobicContact CG-CH2 3.65Å; R372-W389 HydrophobicContact CG-CZ2 3.91Å; R372-W389 HydrophobicContact CG-CZ3 3.38Å; R372-W389 VanDerWaalsContact CZ-CE2 3.5Å; R372-W389 VanDerWaalsContact CZ-CZ2 3.5Å; R372-W389 VanDerWaalsContact NH2-CE2 3.31Å; R372-W389 VanDerWaalsContact NH2-CZ2 3.26Å; R372-E393 IonicContact NH2-OE1 2.97Å; R372-E393 PolarHBondContact NH2-OE1 3Å
373	L	87.9	Confident	85.9	Confident	102 Å²	102	61.9 Å²	61.9	53%	0.534	33%	0.331	S	S	.	.	H	α-helix	trans	-61.5	-46.1	178.2	-71.4	170.6	0	0	0	111.1	F160 K369 E370 I371 L375 S376 H377	F160-L373 HydrophobicContact CE1-CB 4.25Å; K369-L373 WeakPolarHBondContact O-CG 3.26Å; K369-L373 PolarHBondContact O-N 3.2Å; E370-L373 PolarHBondContact O-N 3.11Å; I371-L373 VanDerWaalsContact C-N 3.34Å; I371-L373 PolarHBondContact O-N 3.27Å; L373-L375 PolarHBondContact O-N 2.93Å; L373-S376 WeakPolarHBondContact CA-OG 3.42Å; L373-S376 PolarHBondContact O-N 3.42Å; L373-S376 PolarHBondContact O-OG 3.14Å; L373-H377 WeakPolarHBondContact O-CB 3.27Å; L373-H377 PolarHBondContact O-N 3Å
374	F	87.9	Confident	86	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.009	34%	0.337	C	S	.	.	H	α-helix	trans	-57.1	-48	176.5	178.8	-93.3	0	0	0	111.7	F160 F366 E370 I371 H377 N378 W409 A412	F160-F374 AromaticContact CD2-CD2 3.96Å; F160-F374 HydrophobicContact CD2-CD2 3.96Å; F160-F374 HydrophobicContact CE1-CB 4.49Å; F160-F374 AromaticContact CE2-CD2 3.87Å; F160-F374 HydrophobicContact CE2-CD2 3.87Å; F160-F374 HydrophobicContact CZ-CB 4.48Å; F160-F374 HydrophobicContact CZ-CD2 4.38Å; F366-F374 HydrophobicContact CE2-CB 4.25Å; F366-F374 AromaticContact CE2-CD2 3.89Å; F366-F374 HydrophobicContact CE2-CD2 3.89Å; F366-F374 HydrophobicContact CE2-CE2 4.43Å; F366-F374 HydrophobicContact CE2-CG 4.02Å; F366-F374 HydrophobicContact CZ-CD2 4.12Å; E370-F374 VanDerWaalsContact O-CB 3.3Å; E370-F374 WeakPolarHBondContact O-CB 3.39Å; E370-F374 PolarHBondContact O-N 3.29Å; I371-F374 WeakPolarHBondContact O-CB 3.22Å; I371-F374 PolarHBondContact O-N 3.29Å; F374-H377 PolarHBondContact O-N 2.7Å; F374-N378 WeakPolarHBondContact CE2-ND2 3.33Å; F374-N378 VanDerWaalsContact CZ-ND2 3.33Å; F374-N378 WeakPolarHBondContact CZ-ND2 3.34Å; F374-N378 PolarHBondContact O-N 2.74Å; F374-N378 VanDerWaalsContact O-N 3.11Å; F374-N378 PolarHBondContact O-ND2 3Å; F374-W409 HydrophobicContact CZ-CB 3.97Å; F374-A412 HydrophobicContact CE1-CB 4Å
375	L	89.7	Confident	86.2	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-63.1	-44.1	177.6	-67.3	176.2	0	0	0	112.1	I371 R372 L373 H377 N378 F379 A385 I388 W389 L392 A412	I371-L375 HydrophobicContact CG2-CD1 4.23Å; I371-L375 HydrophobicContact CG2-CG 4.47Å; I371-L375 WeakPolarHBondContact O-CG 3.35Å; I371-L375 PolarHBondContact O-N 3.1Å; R372-L375 PolarHBondContact O-N 3.32Å; L373-L375 PolarHBondContact O-N 2.93Å; L375-H377 VanDerWaalsContact C-N 3.28Å; L375-H377 PolarHBondContact O-N 3.45Å; L375-N378 PolarHBondContact O-N 2.82Å; L375-F379 PolarHBondContact O-N 3.44Å; L375-A385 HydrophobicContact CB-CB 4.36Å; L375-I388 HydrophobicContact CD1-CB 4.47Å; L375-I388 HydrophobicContact CD1-CG2 3.83Å; L375-I388 HydrophobicContact CD2-CG2 3.79Å; L375-I388 HydrophobicContact CG-CG2 4.47Å; L375-W389 HydrophobicContact CD1-CB 4.26Å; L375-W389 HydrophobicContact CD1-CE3 4.15Å; L375-L392 HydrophobicContact CD1-CD1 4.05Å; L375-A412 HydrophobicContact CD2-CB 3.79Å
376	S	88.8	Confident	86.4	Confident	60 Å²	60	65.9 Å²	65.9	42%	0.42	36%	0.359	S	S	.	.	H	α-helix	trans	-63.6	-33.8	-179.7	69	0	0	0	0	113.2	R372 L373 F379 P380	R372-S376 WeakPolarHBondContact O-CB 3.36Å; R372-S376 PolarHBondContact O-N 3.2Å; R372-S376 PolarHBondContact O-OG 3.14Å; L373-S376 WeakPolarHBondContact CA-OG 3.42Å; L373-S376 PolarHBondContact O-N 3.42Å; L373-S376 PolarHBondContact O-OG 3.14Å; S376-F379 CarbonylContact O-C 3.54Å; S376-P380 WeakPolarHBondContact O-CA 3.48Å
377	H	84.9	Confident	86.6	Confident	95 Å²	95	70 Å²	70	44%	0.44	38%	0.378	S	S	.	.	H	α-helix	trans	-75.8	-40.5	178.6	-175.7	92.7	0	0	0	112.2	E159 F160 L373 F374 L375	E159-H377 IonicContact OE2-CE1 4Å; E159-H377 PolarHBondContact OE2-CE1 3.35Å; E159-H377 IonicContact OE2-ND1 2.73Å; E159-H377 IonicContact OE2-NE2 3.69Å; E159-H377 PolarHBondContact OE2-NE2 3.16Å; F160-H377 HydrophobicContact CE2-CB 4.4Å; F160-H377 HydrophobicContact CZ-CB 3.61Å; F160-H377 AromaticContact CZ-CG 3.76Å; L373-H377 WeakPolarHBondContact O-CB 3.27Å; L373-H377 PolarHBondContact O-N 3Å; F374-H377 PolarHBondContact O-N 2.7Å; L375-H377 VanDerWaalsContact C-N 3.28Å; L375-H377 PolarHBondContact O-N 3.45Å
378	N	83.3	Confident	87	Confident	38 Å²	38	68.8 Å²	68.8	20%	0.203	37%	0.37	C	S	.	.	H	α-helix	trans	-73.8	-29.5	178.6	-75.8	-84.7	0	0	0	112.8	F374 L375 P380	F374-N378 WeakPolarHBondContact CE2-ND2 3.33Å; F374-N378 VanDerWaalsContact CZ-ND2 3.33Å; F374-N378 WeakPolarHBondContact CZ-ND2 3.34Å; F374-N378 PolarHBondContact O-N 2.74Å; F374-N378 VanDerWaalsContact O-N 3.11Å; F374-N378 PolarHBondContact O-ND2 3Å; L375-N378 PolarHBondContact O-N 2.82Å; N378-P380 VanDerWaalsContact C-CD 3.47Å; N378-P380 WeakPolarHBondContact O-CD 3.47Å
379	F	86.2	Confident	87.3	Confident	31 Å²	31	66.2 Å²	66.2	14%	0.136	35%	0.35	C	S	.	.			trans	-125.7	71.8	179.4	-55.6	-77.8	0	0	0	111.5	L375 S376 K381 T384 A385 I388 A412	L375-F379 PolarHBondContact O-N 3.44Å; S376-F379 CarbonylContact O-C 3.54Å; F379-K381 VanDerWaalsContact C-N 3.26Å; F379-K381 PolarHBondContact O-N 3.19Å; F379-T384 HydrophobicContact CD1-CG2 4.18Å; F379-T384 HydrophobicContact CG-CG2 4.35Å; F379-A385 HydrophobicContact CB-CB 4.22Å; F379-I388 HydrophobicContact CD2-CD1 4.15Å; F379-I388 HydrophobicContact CE2-CD1 3.84Å; F379-I388 HydrophobicContact CZ-CD1 4.32Å; F379-A412 HydrophobicContact CE2-CB 4.05Å; F379-A412 VanDerWaalsContact CZ-O 3.31Å; F379-A412 WeakPolarHBondContact CZ-O 3.48Å
380	P	79.6	Confident	87.6	Confident	103 Å²	103	62 Å²	62	67%	0.669	34%	0.339	S	S	*	.			trans	-75.9	-10.7	-175.2	29.8	-35.2	0	0	0	113.9	S376 N378	S376-P380 WeakPolarHBondContact O-CA 3.48Å; N378-P380 VanDerWaalsContact C-CD 3.47Å; N378-P380 WeakPolarHBondContact O-CD 3.47Å
381	K	77.4	Confident	87.8	Confident	186 Å²	186	60.9 Å²	60.9	81%	0.809	33%	0.333	S	S	*	.	S	Bend	trans	-117.9	132.1	-177.3	-64.3	-178.9	-178	177.5	0	110.6	F379	F379-K381 VanDerWaalsContact C-N 3.26Å; F379-K381 PolarHBondContact O-N 3.19Å
382	G	77.7	Confident	88	Confident	65 Å²	65	60.8 Å²	60.8	67%	0.67	33%	0.333	S	S	*	.	S	Bend	trans	82	-178.3	176.8	0	0	0	0	0	114.4	T384	G382-T384 VanDerWaalsContact C-N 3.28Å; G382-T384 PolarHBondContact O-N 3.23Å
383	D	87.4	Confident	87.9	Confident	120 Å²	120	59.2 Å²	59.2	64%	0.642	33%	0.331	S	S	*	.	S	Bend	trans	-85.2	4.6	-177.2	-68.5	-27.3	0	0	0	113.7	A385 S386 Q387	D383-A385 PolarHBondContact O-N 2.86Å; D383-S386 WeakPolarHBondContact O-CB 3.42Å; D383-S386 PolarHBondContact O-N 3.07Å; D383-S386 VanDerWaalsContact O-N 3.07Å; D383-Q387 WeakPolarHBondContact O-CG 3.4Å; D383-Q387 PolarHBondContact O-N 3.14Å
384	T	89.9	Confident	87.9	Confident	21 Å²	21	58.4 Å²	58.4	13%	0.129	33%	0.334	C	S	.	.	H	α-helix	trans	-55.4	-47.1	-174.6	-50.9	0	0	0	0	112.5	F379 G382 S386 Q387 I388 L419	F379-T384 HydrophobicContact CD1-CG2 4.18Å; F379-T384 HydrophobicContact CG-CG2 4.35Å; G382-T384 VanDerWaalsContact C-N 3.28Å; G382-T384 PolarHBondContact O-N 3.23Å; T384-S386 VanDerWaalsContact C-N 3.29Å; T384-S386 PolarHBondContact O-N 2.91Å; T384-Q387 PolarHBondContact O-N 3.46Å; T384-I388 HydrophobicContact CG2-CD1 3.96Å; T384-I388 HydrophobicContact CG2-CG1 4.49Å; T384-I388 VanDerWaalsContact O-CG1 3.3Å; T384-I388 WeakPolarHBondContact O-CG1 3.3Å; T384-I388 PolarHBondContact O-N 3.33Å; T384-L419 HydrophobicContact CG2-CB 4.42Å; T384-L419 HydrophobicContact CG2-CD1 3.9Å
385	A	91	Very high	87.7	Confident	18 Å²	18	59.4 Å²	59.4	15%	0.149	34%	0.34	C	S	.	.	H	α-helix	trans	-60	-39.8	178.2	0	0	0	0	0	112.3	L375 F379 D383 W389	L375-A385 HydrophobicContact CB-CB 4.36Å; F379-A385 HydrophobicContact CB-CB 4.22Å; D383-A385 PolarHBondContact O-N 2.86Å; A385-W389 VanDerWaalsContact O-CB 3.28Å; A385-W389 WeakPolarHBondContact O-CB 3.49Å; A385-W389 PolarHBondContact O-N 3.07Å
386	S	91.5	Very high	87.2	Confident	72 Å²	72	62.3 Å²	62.3	50%	0.503	35%	0.352	S	S	.	.	H	α-helix	trans	-69	-41	179	-171.6	0	0	0	0	111.8	D383 T384 W389 T390	D383-S386 WeakPolarHBondContact O-CB 3.42Å; D383-S386 PolarHBondContact O-N 3.07Å; D383-S386 VanDerWaalsContact O-N 3.07Å; T384-S386 VanDerWaalsContact C-N 3.29Å; T384-S386 PolarHBondContact O-N 2.91Å; S386-W389 PolarHBondContact O-N 2.91Å; S386-T390 WeakPolarHBondContact O-CB 3.44Å; S386-T390 PolarHBondContact O-N 3.27Å; S386-T390 PolarHBondContact O-OG1 2.93Å
387	Q	92.1	Very high	87.1	Confident	94 Å²	94	60.1 Å²	60.1	44%	0.439	34%	0.335	S	S	.	.	H	α-helix	trans	-66.2	-43.9	176.7	-68.2	179.2	30.1	0	0	112	D383 T384 W389 T390 H391 L419	D383-Q387 WeakPolarHBondContact O-CG 3.4Å; D383-Q387 PolarHBondContact O-N 3.14Å; T384-Q387 PolarHBondContact O-N 3.46Å; Q387-W389 VanDerWaalsContact C-N 3.35Å; Q387-T390 PolarHBondContact O-N 2.92Å; Q387-H391 PolarHBondContact O-N 3.25Å; Q387-L419 HydrophobicContact CB-CD1 3.98Å
388	I	93.3	Very high	87.3	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.1	-48.9	173.8	-68.2	171.6	0	0	0	109.9	L375 F379 T384 T390 H391 L392 F415 L419	L375-I388 HydrophobicContact CD1-CB 4.47Å; L375-I388 HydrophobicContact CD1-CG2 3.83Å; L375-I388 HydrophobicContact CD2-CG2 3.79Å; L375-I388 HydrophobicContact CG-CG2 4.47Å; F379-I388 HydrophobicContact CD2-CD1 4.15Å; F379-I388 HydrophobicContact CE2-CD1 3.84Å; F379-I388 HydrophobicContact CZ-CD1 4.32Å; T384-I388 HydrophobicContact CG2-CD1 3.96Å; T384-I388 HydrophobicContact CG2-CG1 4.49Å; T384-I388 VanDerWaalsContact O-CG1 3.3Å; T384-I388 WeakPolarHBondContact O-CG1 3.3Å; T384-I388 PolarHBondContact O-N 3.33Å; I388-T390 VanDerWaalsContact C-N 3.35Å; I388-T390 PolarHBondContact O-N 3.04Å; I388-H391 PolarHBondContact O-N 3.35Å; I388-L392 HydrophobicContact CG2-CD1 4.23Å; I388-L392 HydrophobicContact CG2-CG 4.41Å; I388-L392 WeakPolarHBondContact O-CG 3.42Å; I388-L392 PolarHBondContact O-N 3.48Å; I388-F415 HydrophobicContact CD1-CB 4.15Å; I388-F415 HydrophobicContact CG1-CB 3.86Å; I388-F415 HydrophobicContact CG2-CD2 4.23Å; I388-L419 HydrophobicContact CG1-CD1 3.86Å
389	W	93	Very high	87.6	Confident	27 Å²	27	55.5 Å²	55.5	10%	0.102	31%	0.313	C	S	.	.	H	α-helix	trans	-58.4	-45.1	179.1	177.5	-97.1	0	0	0	112.5	P368 I371 R372 L375 A385 S386 Q387 H391 L392 E393 M399	P368-W389 HydrophobicContact CB-CH2 4.15Å; I371-W389 HydrophobicContact CB-CZ3 4.11Å; I371-W389 HydrophobicContact CG2-CE3 4.28Å; I371-W389 HydrophobicContact CG2-CZ3 3.85Å; R372-W389 HydrophobicContact CB-CE3 4.45Å; R372-W389 HydrophobicContact CB-CZ3 4.46Å; R372-W389 HydrophobicContact CG-CD2 3.59Å; R372-W389 HydrophobicContact CG-CE3 3.36Å; R372-W389 HydrophobicContact CG-CG 4.43Å; R372-W389 HydrophobicContact CG-CH2 3.65Å; R372-W389 HydrophobicContact CG-CZ2 3.91Å; R372-W389 HydrophobicContact CG-CZ3 3.38Å; R372-W389 VanDerWaalsContact CZ-CE2 3.5Å; R372-W389 VanDerWaalsContact CZ-CZ2 3.5Å; R372-W389 VanDerWaalsContact NH2-CE2 3.31Å; R372-W389 VanDerWaalsContact NH2-CZ2 3.26Å; L375-W389 HydrophobicContact CD1-CB 4.26Å; L375-W389 HydrophobicContact CD1-CE3 4.15Å; A385-W389 VanDerWaalsContact O-CB 3.28Å; A385-W389 WeakPolarHBondContact O-CB 3.49Å; A385-W389 PolarHBondContact O-N 3.07Å; S386-W389 PolarHBondContact O-N 2.91Å; Q387-W389 VanDerWaalsContact C-N 3.35Å; W389-H391 VanDerWaalsContact C-N 3.29Å; W389-H391 PolarHBondContact O-N 3.5Å; W389-L392 WeakPolarHBondContact O-CB 3.46Å; W389-L392 PolarHBondContact O-N 2.8Å; W389-E393 VanDerWaalsContact CE2-CD 3.5Å; W389-E393 HydrophobicContact CZ2-CG 3.75Å; W389-E393 WeakPolarHBondContact CZ2-OE1 3.37Å; W389-E393 PolarHBondContact NE1-OE1 3.02Å; W389-E393 PolarHBondContact NE1-OE2 3.36Å; W389-E393 PolarHBondContact O-N 3.13Å; W389-M399 HydrophobicContact CE3-CE 4.44Å; W389-M399 HydrophobicContact CH2-CE 3.61Å; W389-M399 HydrophobicContact CH2-SD 4.11Å; W389-M399 HydrophobicContact CZ2-CE 3.96Å; W389-M399 HydrophobicContact CZ3-CE 3.87Å; W389-M399 HydrophobicContact CZ3-SD 4.19Å
390	T	92.4	Very high	87.6	Confident	80 Å²	80	55.3 Å²	55.3	49%	0.491	31%	0.314	S	S	.	.	H	α-helix	trans	-60	-41.6	177.2	-56	0	0	0	0	111.2	S386 Q387 I388 E393 S394	S386-T390 WeakPolarHBondContact O-CB 3.44Å; S386-T390 PolarHBondContact O-N 3.27Å; S386-T390 PolarHBondContact O-OG1 2.93Å; Q387-T390 PolarHBondContact O-N 2.92Å; I388-T390 VanDerWaalsContact C-N 3.35Å; I388-T390 PolarHBondContact O-N 3.04Å; T390-E393 PolarHBondContact O-N 3.39Å; T390-S394 PolarHBondContact O-N 3.22Å; T390-S394 VanDerWaalsContact O-N 3.08Å
391	H	92.4	Very high	88.1	Confident	28 Å²	28	50.4 Å²	50.4	13%	0.13	28%	0.282	C	S	.	.	H	α-helix	trans	-65.9	-41.3	176.4	-168.4	71.7	0	0	0	112.1	Q387 I388 W389 S394 N395 F415 L427 P428	Q387-H391 PolarHBondContact O-N 3.25Å; I388-H391 PolarHBondContact O-N 3.35Å; W389-H391 VanDerWaalsContact C-N 3.29Å; W389-H391 PolarHBondContact O-N 3.5Å; H391-S394 CarbonylContact O-C 3.57Å; H391-S394 PolarHBondContact O-N 3.19Å; H391-S394 PolarHBondContact O-OG 3.32Å; H391-N395 WeakPolarHBondContact O-CB 3.43Å; H391-N395 PolarHBondContact O-N 3.4Å; H391-F415 AromaticContact CD2-CE2 3.49Å; H391-F415 VanDerWaalsContact CD2-CE2 3.49Å; H391-F415 WeakPolarHBondContact CD2-CE2 3.23Å; H391-F415 AromaticContact CD2-CZ 3.84Å; H391-L427 HydrophobicContact CB-CD1 3.76Å; H391-P428 PolarHBondContact NE2-O 2.79Å
392	L	91.3	Very high	88.7	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-61.3	-42.5	174.3	-66	178.5	0	0	0	112.1	I371 L375 I388 W389 S394 N395 F398 M399 V411 F415	I371-L392 HydrophobicContact CG2-CD1 4.09Å; L375-L392 HydrophobicContact CD1-CD1 4.05Å; I388-L392 HydrophobicContact CG2-CD1 4.23Å; I388-L392 HydrophobicContact CG2-CG 4.41Å; I388-L392 WeakPolarHBondContact O-CG 3.42Å; I388-L392 PolarHBondContact O-N 3.48Å; W389-L392 WeakPolarHBondContact O-CB 3.46Å; W389-L392 PolarHBondContact O-N 2.8Å; L392-S394 VanDerWaalsContact C-N 3.25Å; L392-S394 PolarHBondContact O-N 3.12Å; L392-N395 CarbonylContact O-C 3.45Å; L392-N395 VanDerWaalsContact O-C 3.31Å; L392-N395 PolarHBondContact O-N 3.32Å; L392-F398 HydrophobicContact CD2-CB 3.51Å; L392-M399 HydrophobicContact CB-CE 3.63Å; L392-M399 HydrophobicContact CB-SD 4.39Å; L392-V411 HydrophobicContact CD2-CG1 3.88Å; L392-F415 HydrophobicContact CD2-CE2 4.4Å
393	E	88.4	Confident	89.3	Confident	96 Å²	96	39.7 Å²	39.7	45%	0.449	22%	0.217	S	C	.	.	H	α-helix	trans	-62.3	-35.3	176	-78.8	-176.7	159.8	0	0	111.7	R372 W389 T390 M399	R372-E393 IonicContact NH2-OE1 2.97Å; R372-E393 PolarHBondContact NH2-OE1 3Å; W389-E393 VanDerWaalsContact CE2-CD 3.5Å; W389-E393 HydrophobicContact CZ2-CG 3.75Å; W389-E393 WeakPolarHBondContact CZ2-OE1 3.37Å; W389-E393 PolarHBondContact NE1-OE1 3.02Å; W389-E393 PolarHBondContact NE1-OE2 3.36Å; W389-E393 PolarHBondContact O-N 3.13Å; T390-E393 PolarHBondContact O-N 3.39Å; E393-M399 HydrophobicContact CG-CE 3.87Å
394	S	86.9	Confident	89.4	Confident	86 Å²	86	34 Å²	34	60%	0.601	19%	0.187	S	C	*	.	H	α-helix	trans	-76.9	-29.7	175.8	78.5	0	0	0	0	114	T390 H391 L392	T390-S394 PolarHBondContact O-N 3.22Å; T390-S394 VanDerWaalsContact O-N 3.08Å; H391-S394 CarbonylContact O-C 3.57Å; H391-S394 PolarHBondContact O-N 3.19Å; H391-S394 PolarHBondContact O-OG 3.32Å; L392-S394 VanDerWaalsContact C-N 3.25Å; L392-S394 PolarHBondContact O-N 3.12Å
395	N	85	Confident	89.4	Confident	23 Å²	23	33 Å²	33	12%	0.123	18%	0.181	C	C	.	.			trans	-116.3	95.5	-177.4	-168.2	-26.7	0	0	0	111.6	H391 L392 I397 F398 M399 R429	H391-N395 WeakPolarHBondContact O-CB 3.43Å; H391-N395 PolarHBondContact O-N 3.4Å; L392-N395 CarbonylContact O-C 3.45Å; L392-N395 VanDerWaalsContact O-C 3.31Å; L392-N395 PolarHBondContact O-N 3.32Å; N395-I397 VanDerWaalsContact C-N 3.31Å; N395-I397 PolarHBondContact O-N 3.29Å; N395-I397 PolarHBondContact OD1-N 2.74Å; N395-F398 HydrophobicContact CB-CD2 3.99Å; N395-F398 WeakPolarHBondContact ND2-CD2 3.44Å; N395-F398 VanDerWaalsContact ND2-CE2 3.3Å; N395-F398 WeakPolarHBondContact ND2-CE2 3.46Å; N395-F398 PolarHBondContact O-N 3.27Å; N395-M399 PolarHBondContact O-N 3.43Å; N395-R429 PolarHBondContact ND2-O 3.26Å
396	K	79.3	Confident	89.3	Confident	64 Å²	64	32.4 Å²	32.4	28%	0.278	18%	0.175	S	C	.	.	H	α-helix	trans	-68	-28	-169.3	-59.8	175.6	173.8	158.6	0	113.7	M399 V400 V680 P682 E683	K396-M399 PolarHBondContact O-N 2.59Å; K396-V400 WeakPolarHBondContact O-CG2 3.33Å; K396-V400 PolarHBondContact O-N 3.35Å; K396-V680 WeakPolarHBondContact CD-O 3.35Å; K396-P682 HydrophobicContact CD-CG 3.68Å; K396-E683 IonicContact NZ-OE1 3.52Å; K396-E683 PolarHBondContact NZ-OE1 3.04Å; K396-E683 IonicContact NZ-OE2 3.24Å; K396-E683 PolarHBondContact NZ-OE2 2.95Å
397	I	85.8	Confident	89.4	Confident	14 Å²	14	29 Å²	29	7%	0.072	15%	0.151	C	C	.	.	H	α-helix	trans	-60.8	-48.7	175.8	-65.1	172.9	0	0	0	109.2	N395 M399 V400 M401 Y639 Q642 V680	N395-I397 VanDerWaalsContact C-N 3.31Å; N395-I397 PolarHBondContact O-N 3.29Å; N395-I397 PolarHBondContact OD1-N 2.74Å; I397-M399 PolarHBondContact O-N 3Å; I397-V400 PolarHBondContact O-N 2.96Å; I397-M401 HydrophobicContact CG2-CG 4.33Å; I397-M401 HydrophobicContact CG2-SD 3.74Å; I397-M401 WeakPolarHBondContact O-CB 3.47Å; I397-M401 WeakPolarHBondContact O-CG 3.39Å; I397-M401 PolarHBondContact O-N 3.38Å; I397-Y639 HydrophobicContact CD1-CE1 4.41Å; I397-Q642 HydrophobicContact CD1-CG 4.31Å; I397-V680 HydrophobicContact CG1-CG1 4.4Å
398	F	90.3	Very high	89.4	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-69.2	-34.6	178.4	-61.4	-43.2	0	0	0	113.2	L392 N395 M401 S402 F415 P428 T430 L434	L392-F398 HydrophobicContact CD2-CB 3.51Å; N395-F398 HydrophobicContact CB-CD2 3.99Å; N395-F398 WeakPolarHBondContact ND2-CD2 3.44Å; N395-F398 VanDerWaalsContact ND2-CE2 3.3Å; N395-F398 WeakPolarHBondContact ND2-CE2 3.46Å; N395-F398 PolarHBondContact O-N 3.27Å; F398-M401 HydrophobicContact CD1-SD 4.34Å; F398-M401 PolarHBondContact O-N 2.94Å; F398-S402 VanDerWaalsContact O-CB 3.22Å; F398-S402 WeakPolarHBondContact O-CB 3.39Å; F398-S402 PolarHBondContact O-N 3.11Å; F398-S402 PolarHBondContact O-OG 3.44Å; F398-F415 HydrophobicContact CD2-CE2 4.31Å; F398-F415 AromaticContact CD2-CZ 3.85Å; F398-F415 HydrophobicContact CD2-CZ 3.85Å; F398-F415 AromaticContact CE2-CZ 3.86Å; F398-F415 HydrophobicContact CE2-CZ 3.86Å; F398-F415 HydrophobicContact CG-CZ 4.45Å; F398-F415 HydrophobicContact CZ-CZ 4.44Å; F398-P428 VanDerWaalsContact CE2-O 3.28Å; F398-P428 WeakPolarHBondContact CE2-O 3.45Å; F398-T430 WeakPolarHBondContact CZ-O 3.34Å; F398-L434 HydrophobicContact CD1-CD2 4.1Å; F398-L434 HydrophobicContact CE1-CB 4Å; F398-L434 HydrophobicContact CE1-CD2 3.72Å; F398-L434 HydrophobicContact CE1-CG 4.42Å; F398-L434 HydrophobicContact CZ-CB 4.05Å; F398-L434 HydrophobicContact CZ-CD2 4.49Å
399	M	88	Confident	89.2	Confident	37 Å²	37	25.5 Å²	25.5	18%	0.182	13%	0.134	C	C	.	.	H	α-helix	trans	-58.9	-48.8	173.4	-175.7	63.1	77.2	0	0	111	I371 W389 L392 E393 N395 K396 I397 S402	I371-M399 HydrophobicContact CD1-SD 4.15Å; W389-M399 HydrophobicContact CE3-CE 4.44Å; W389-M399 HydrophobicContact CH2-CE 3.61Å; W389-M399 HydrophobicContact CH2-SD 4.11Å; W389-M399 HydrophobicContact CZ2-CE 3.96Å; W389-M399 HydrophobicContact CZ3-CE 3.87Å; W389-M399 HydrophobicContact CZ3-SD 4.19Å; L392-M399 HydrophobicContact CB-CE 3.63Å; L392-M399 HydrophobicContact CB-SD 4.39Å; E393-M399 HydrophobicContact CG-CE 3.87Å; N395-M399 PolarHBondContact O-N 3.43Å; K396-M399 PolarHBondContact O-N 2.59Å; I397-M399 PolarHBondContact O-N 3Å; M399-S402 PolarHBondContact O-N 3.41Å
400	V	87.4	Confident	89.2	Confident	26 Å²	26	24.2 Å²	24.2	16%	0.158	13%	0.13	C	C	.	.	H	α-helix	trans	-66.9	-43.4	179.2	172.8	0	0	0	0	111.3	V185 E186 R189 K396 I397 S402 Y403	V185-V400 HydrophobicContact CG1-CG1 4.05Å; V185-V400 WeakPolarHBondContact O-CG1 3.5Å; E186-V400 HydrophobicContact CG-CG1 4.49Å; R189-V400 HydrophobicContact CB-CG2 4.32Å; K396-V400 WeakPolarHBondContact O-CG2 3.33Å; K396-V400 PolarHBondContact O-N 3.35Å; I397-V400 PolarHBondContact O-N 2.96Å; V400-S402 VanDerWaalsContact C-N 3.26Å; V400-S402 PolarHBondContact O-N 3.21Å; V400-Y403 WeakPolarHBondContact O-CB 3.5Å; V400-Y403 PolarHBondContact O-N 2.97Å; V400-Y403 VanDerWaalsContact O-N 3.1Å
401	M	89.6	Confident	89.2	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.1	-33.6	176	-72.5	179.7	81.2	0	0	112.9	L182 I397 F398 Y403 M404 I407 C431 Y435	L182-M401 HydrophobicContact CD1-CE 3.81Å; L182-M401 HydrophobicContact CD1-CG 3.76Å; L182-M401 HydrophobicContact CD1-SD 4.3Å; L182-M401 HydrophobicContact CD2-CE 4.09Å; I397-M401 HydrophobicContact CG2-CG 4.33Å; I397-M401 HydrophobicContact CG2-SD 3.74Å; I397-M401 WeakPolarHBondContact O-CB 3.47Å; I397-M401 WeakPolarHBondContact O-CG 3.39Å; I397-M401 PolarHBondContact O-N 3.38Å; F398-M401 HydrophobicContact CD1-SD 4.34Å; F398-M401 PolarHBondContact O-N 2.94Å; M401-Y403 PolarHBondContact O-N 3.37Å; M401-Y403 VanDerWaalsContact O-N 3.16Å; M401-M404 PolarHBondContact O-N 3.01Å; M401-I407 HydrophobicContact CB-CG2 3.95Å; M401-I407 HydrophobicContact CE-CD1 4.07Å; M401-I407 HydrophobicContact CE-CG2 4.15Å; M401-C431 PolarHBondContact SD-SG 2.8Å; M401-Y435 HydrophobicContact CE-CE2 4.44Å
402	S	90.8	Very high	89.2	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-4.4	177.6	-60.4	0	0	0	0	113.3	F398 M399 V400 M404 C408	F398-S402 VanDerWaalsContact O-CB 3.22Å; F398-S402 WeakPolarHBondContact O-CB 3.39Å; F398-S402 PolarHBondContact O-N 3.11Å; F398-S402 PolarHBondContact O-OG 3.44Å; M399-S402 PolarHBondContact O-N 3.41Å; V400-S402 VanDerWaalsContact C-N 3.26Å; V400-S402 PolarHBondContact O-N 3.21Å; S402-M404 PolarHBondContact O-N 3.4Å; S402-C408 WeakPolarHBondContact O-CB 3.47Å
403	Y	89.2	Confident	89.1	Confident	26 Å²	26	20.9 Å²	20.9	10%	0.102	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-36.6	161.5	176.2	-104.3	0	0	0	111.6	V185 G190 I226 G365 F366 V400 M401 P405	V185-Y403 HydrophobicContact CG1-CD1 3.76Å; V185-Y403 HydrophobicContact CG1-CG 4.26Å; V185-Y403 HydrophobicContact CG2-CD1 4.23Å; G190-Y403 WeakPolarHBondContact O-CE2 3.4Å; I226-Y403 HydrophobicContact CD1-CD1 3.94Å; I226-Y403 HydrophobicContact CD1-CE1 3.62Å; G365-Y403 CarbonylContact C-O 3.51Å; G365-Y403 VanDerWaalsContact CA-CZ 3.45Å; G365-Y403 WeakPolarHBondContact CA-O 3.48Å; G365-Y403 VanDerWaalsContact N-CE2 3.3Å; G365-Y403 PolarHBondContact N-OH 3.37Å; F366-Y403 PolarHBondContact N-O 3.35Å; F366-Y403 WeakPolarHBondContact O-CD2 3.44Å; V400-Y403 WeakPolarHBondContact O-CB 3.5Å; V400-Y403 PolarHBondContact O-N 2.97Å; V400-Y403 VanDerWaalsContact O-N 3.1Å; M401-Y403 PolarHBondContact O-N 3.37Å; M401-Y403 VanDerWaalsContact O-N 3.16Å; Y403-P405 WeakPolarHBondContact O-CD 3.22Å
404	M	90.4	Very high	89.3	Confident	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.089	C	C	.	.	S	Bend	trans	-81.6	116.7	174.5	-69.5	168.6	-83	0	0	109.5	L182 V185 V223 I226 M401 S402 C406 I407 C408	L182-M404 HydrophobicContact CD1-CE 3.8Å; V185-M404 HydrophobicContact CB-CE 4.02Å; V185-M404 HydrophobicContact CG1-CE 3.98Å; V185-M404 HydrophobicContact CG2-CE 3.98Å; V185-M404 HydrophobicContact CG2-CG 4.35Å; V185-M404 HydrophobicContact CG2-SD 4.11Å; V223-M404 HydrophobicContact CG2-CG 3.85Å; V223-M404 HydrophobicContact CG2-SD 3.93Å; I226-M404 HydrophobicContact CD1-CG 4.19Å; M401-M404 PolarHBondContact O-N 3.01Å; S402-M404 PolarHBondContact O-N 3.4Å; M404-C406 VanDerWaalsContact C-N 3.28Å; M404-C406 PolarHBondContact O-N 2.8Å; M404-I407 HydrophobicContact CB-CB 4.25Å; M404-I407 HydrophobicContact CB-CD1 4.39Å; M404-I407 HydrophobicContact CB-CG1 4.13Å; M404-I407 HydrophobicContact CE-CD1 3.44Å; M404-I407 VanDerWaalsContact CE-CD1 3.44Å; M404-I407 HydrophobicContact CE-CG1 4.42Å; M404-I407 PolarHBondContact O-N 3.23Å; M404-I407 HydrophobicContact SD-CD1 3.82Å; M404-I407 HydrophobicContact SD-CG1 4.46Å; M404-C408 PolarHBondContact O-N 3.33Å
405	P	90.3	Very high	89.6	Confident	1 Å²	1	12.2 Å²	12.2	1%	0.006	6%	0.061	C	C	.	.	H	α-helix	trans	-52.9	-41.6	-178	-30.5	38	0	0	0	114.1	G225 F366 Y403 I407 C408 W409	G225-P405 WeakPolarHBondContact O-CD 3.47Å; F366-P405 HydrophobicContact CD1-CG 3.98Å; F366-P405 HydrophobicContact CD2-CB 4.18Å; F366-P405 HydrophobicContact CD2-CG 4.08Å; F366-P405 HydrophobicContact CE1-CB 4.2Å; F366-P405 HydrophobicContact CE1-CG 3.79Å; F366-P405 HydrophobicContact CE2-CB 3.62Å; F366-P405 HydrophobicContact CE2-CG 3.89Å; F366-P405 HydrophobicContact CG-CG 4.13Å; F366-P405 HydrophobicContact CZ-CB 3.63Å; F366-P405 HydrophobicContact CZ-CG 3.75Å; Y403-P405 WeakPolarHBondContact O-CD 3.22Å; P405-I407 PolarHBondContact O-N 3.13Å; P405-C408 WeakPolarHBondContact O-CB 3.44Å; P405-C408 PolarHBondContact O-N 2.83Å; P405-W409 PolarHBondContact O-N 3.37Å
406	C	89.1	Confident	89.8	Confident	5 Å²	5	11.1 Å²	11.1	3%	0.034	6%	0.055	C	C	.	.	H	α-helix	trans	-63	-40.1	178.3	-170.9	0	0	0	0	112.5	G225 M404 W409 I410	G225-C406 WeakPolarHBondContact O-CB 3.11Å; G225-C406 PolarHBondContact O-N 2.78Å; M404-C406 VanDerWaalsContact C-N 3.28Å; M404-C406 PolarHBondContact O-N 2.8Å; C406-W409 PolarHBondContact O-N 3.14Å; C406-I410 WeakPolarHBondContact O-CG1 3.37Å; C406-I410 PolarHBondContact O-N 2.77Å; C406-I410 VanDerWaalsContact O-N 3.13Å
407	I	91.7	Very high	90.2	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-74.4	-39.2	177	-58.1	-171.8	0	0	0	110.6	M401 M404 P405 W409 I410 V411 T526	M401-I407 HydrophobicContact CB-CG2 3.95Å; M401-I407 HydrophobicContact CE-CD1 4.07Å; M401-I407 HydrophobicContact CE-CG2 4.15Å; M404-I407 HydrophobicContact CB-CB 4.25Å; M404-I407 HydrophobicContact CB-CD1 4.39Å; M404-I407 HydrophobicContact CB-CG1 4.13Å; M404-I407 HydrophobicContact CE-CD1 3.44Å; M404-I407 VanDerWaalsContact CE-CD1 3.44Å; M404-I407 HydrophobicContact CE-CG1 4.42Å; M404-I407 PolarHBondContact O-N 3.23Å; M404-I407 HydrophobicContact SD-CD1 3.82Å; M404-I407 HydrophobicContact SD-CG1 4.46Å; P405-I407 PolarHBondContact O-N 3.13Å; I407-W409 PolarHBondContact O-N 3.36Å; I407-I410 WeakPolarHBondContact O-CB 3.16Å; I407-I410 PolarHBondContact O-N 3.45Å; I407-V411 HydrophobicContact CG2-CG2 4.14Å; I407-V411 WeakPolarHBondContact O-CG2 3.41Å; I407-V411 PolarHBondContact O-N 3.42Å; I407-T526 HydrophobicContact CD1-CG2 4.3Å
408	C	92.1	Very high	90.5	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.014	6%	0.055	C	C	.	.	H	α-helix	trans	-53.2	-41.1	172.2	-171.8	0	0	0	0	111.1	F366 S402 M404 P405 A412	F366-C408 HydrophobicContact CD2-CB 4.17Å; F366-C408 HydrophobicContact CE2-CB 4.37Å; S402-C408 WeakPolarHBondContact O-CB 3.47Å; M404-C408 PolarHBondContact O-N 3.33Å; P405-C408 WeakPolarHBondContact O-CB 3.44Å; P405-C408 PolarHBondContact O-N 2.83Å; C408-A412 WeakPolarHBondContact O-CB 3.37Å; C408-A412 PolarHBondContact O-N 3.4Å
409	W	90.9	Very high	90.4	Very high	19 Å²	19	13.8 Å²	13.8	7%	0.072	7%	0.067	C	C	.	.	H	α-helix	trans	-65.4	-47.4	173.3	177.2	89.1	0	0	0	112.6	P153 P155 F374 P405 C406 I407 V411 A412 V413 F438 T523	P153-W409 PolarHBondContact O-NE1 2.91Å; P155-W409 HydrophobicContact CB-CB 4.33Å; P155-W409 HydrophobicContact CB-CD2 3.81Å; P155-W409 HydrophobicContact CB-CE3 3.72Å; P155-W409 HydrophobicContact CB-CG 4.13Å; P155-W409 HydrophobicContact CB-CH2 4.47Å; P155-W409 HydrophobicContact CB-CZ3 4.09Å; P155-W409 HydrophobicContact CG-CZ3 4.45Å; F374-W409 HydrophobicContact CZ-CB 3.97Å; P405-W409 PolarHBondContact O-N 3.37Å; C406-W409 PolarHBondContact O-N 3.14Å; I407-W409 PolarHBondContact O-N 3.36Å; W409-V411 VanDerWaalsContact C-N 3.27Å; W409-V411 PolarHBondContact O-N 3.19Å; W409-A412 PolarHBondContact O-N 3.22Å; W409-V413 HydrophobicContact CD2-CG1 4.17Å; W409-V413 HydrophobicContact CD2-CG2 4.48Å; W409-V413 HydrophobicContact CG-CG1 4.27Å; W409-V413 WeakPolarHBondContact O-CG1 3.41Å; W409-V413 VanDerWaalsContact O-CG2 3.29Å; W409-V413 WeakPolarHBondContact O-CG2 3.44Å; W409-V413 PolarHBondContact O-N 3.22Å; W409-F438 HydrophobicContact CZ3-CE2 4.36Å; W409-F438 HydrophobicContact CZ3-CZ 4.4Å; W409-T523 HydrophobicContact CH2-CG2 4.42Å; W409-T523 HydrophobicContact CZ3-CG2 3.77Å
410	I	91.7	Very high	90.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-54.2	-47	176.3	-68.6	171.5	0	0	0	110.4	C406 I407 V413 T414 Y435 F438 H524 V527	C406-I410 WeakPolarHBondContact O-CG1 3.37Å; C406-I410 PolarHBondContact O-N 2.77Å; C406-I410 VanDerWaalsContact O-N 3.13Å; I407-I410 WeakPolarHBondContact O-CB 3.16Å; I407-I410 PolarHBondContact O-N 3.45Å; I410-V413 WeakPolarHBondContact O-CG2 3.49Å; I410-T414 VanDerWaalsContact O-CB 3.25Å; I410-T414 WeakPolarHBondContact O-CB 3.31Å; I410-T414 PolarHBondContact O-N 3.18Å; I410-T414 PolarHBondContact O-OG1 2.79Å; I410-Y435 HydrophobicContact CD1-CE1 4.08Å; I410-Y435 HydrophobicContact CG2-CE1 4.3Å; I410-F438 HydrophobicContact CG1-CE2 4.26Å; I410-F438 HydrophobicContact CG1-CZ 4.38Å; I410-F438 HydrophobicContact CG2-CB 4.45Å; I410-F438 HydrophobicContact CG2-CD2 3.87Å; I410-F438 HydrophobicContact CG2-CE2 4.22Å; I410-F438 HydrophobicContact CG2-CG 4.07Å; I410-H524 HydrophobicContact CD1-CB 4.21Å; I410-V527 HydrophobicContact CD1-CG2 4.02Å
411	V	93.7	Very high	90.1	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.012	10%	0.103	C	C	.	.	H	α-helix	trans	-61.9	-51.1	178.2	172.9	0	0	0	0	110.9	L392 I407 W409 V413 T414 F415 L434	L392-V411 HydrophobicContact CD2-CG1 3.88Å; I407-V411 HydrophobicContact CG2-CG2 4.14Å; I407-V411 WeakPolarHBondContact O-CG2 3.41Å; I407-V411 PolarHBondContact O-N 3.42Å; W409-V411 VanDerWaalsContact C-N 3.27Å; W409-V411 PolarHBondContact O-N 3.19Å; V411-V413 PolarHBondContact O-N 3.32Å; V411-T414 PolarHBondContact O-N 3.15Å; V411-F415 HydrophobicContact CG1-CD2 3.75Å; V411-F415 HydrophobicContact CG1-CE2 3.51Å; V411-F415 HydrophobicContact CG1-CG 4.43Å; V411-F415 HydrophobicContact CG1-CZ 4.04Å; V411-F415 WeakPolarHBondContact O-CB 3.25Å; V411-F415 WeakPolarHBondContact O-CG 3.41Å; V411-F415 PolarHBondContact O-N 3.42Å; V411-L434 HydrophobicContact CG2-CD1 4.42Å; V411-L434 HydrophobicContact CG2-CD2 3.65Å
412	A	91.9	Very high	89.5	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.008	12%	0.124	C	C	.	.	H	α-helix	trans	-57.7	-51.5	-179	0	0	0	0	0	112.2	F374 L375 F379 C408 W409 T414 G416	F374-A412 HydrophobicContact CE1-CB 4Å; L375-A412 HydrophobicContact CD2-CB 3.79Å; F379-A412 HydrophobicContact CE2-CB 4.05Å; F379-A412 VanDerWaalsContact CZ-O 3.31Å; F379-A412 WeakPolarHBondContact CZ-O 3.48Å; C408-A412 WeakPolarHBondContact O-CB 3.37Å; C408-A412 PolarHBondContact O-N 3.4Å; W409-A412 PolarHBondContact O-N 3.22Å; A412-T414 PolarHBondContact O-N 3.16Å; A412-G416 PolarHBondContact O-N 3.41Å
413	V	88.9	Confident	88.8	Confident	35 Å²	35	27.5 Å²	27.5	21%	0.212	14%	0.143	C	C	.	.	H	α-helix	trans	-68	-35.7	-178.8	-59	0	0	0	0	112.1	W409 I410 V411 Y417 F438 M441	W409-V413 HydrophobicContact CD2-CG1 4.17Å; W409-V413 HydrophobicContact CD2-CG2 4.48Å; W409-V413 HydrophobicContact CG-CG1 4.27Å; W409-V413 WeakPolarHBondContact O-CG1 3.41Å; W409-V413 VanDerWaalsContact O-CG2 3.29Å; W409-V413 WeakPolarHBondContact O-CG2 3.44Å; W409-V413 PolarHBondContact O-N 3.22Å; I410-V413 WeakPolarHBondContact O-CG2 3.49Å; V411-V413 PolarHBondContact O-N 3.32Å; V413-Y417 WeakPolarHBondContact O-CB 3.38Å; V413-Y417 PolarHBondContact O-N 3.18Å; V413-Y417 VanDerWaalsContact O-N 3.08Å; V413-F438 HydrophobicContact CG2-CD2 4.35Å; V413-F438 HydrophobicContact CG2-CE2 4.14Å; V413-M441 HydrophobicContact CB-CE 4.49Å; V413-M441 HydrophobicContact CG2-CE 4.19Å; V413-M441 WeakPolarHBondContact O-CE 3.47Å
414	T	91.6	Very high	87.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-69	-48.9	178.8	-53.3	0	0	0	0	111.5	I410 V411 A412 Y417 L418 L434 H437 F438 M441	I410-T414 VanDerWaalsContact O-CB 3.25Å; I410-T414 WeakPolarHBondContact O-CB 3.31Å; I410-T414 PolarHBondContact O-N 3.18Å; I410-T414 PolarHBondContact O-OG1 2.79Å; V411-T414 PolarHBondContact O-N 3.15Å; A412-T414 PolarHBondContact O-N 3.16Å; T414-Y417 PolarHBondContact O-N 2.91Å; T414-L418 HydrophobicContact CG2-CD1 4.34Å; T414-L418 WeakPolarHBondContact O-CG 3.37Å; T414-L418 PolarHBondContact O-N 3.14Å; T414-L418 VanDerWaalsContact O-N 3.13Å; T414-L434 HydrophobicContact CG2-CD1 3.86Å; T414-H437 HydrophobicContact CG2-CB 3.75Å; T414-F438 HydrophobicContact CG2-CB 4.48Å; T414-F438 WeakPolarHBondContact OG1-CD2 3.46Å; T414-M441 VanDerWaalsContact CA-CE 3.43Å; T414-M441 HydrophobicContact CG2-CE 4.48Å
415	F	93.4	Very high	86.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.8	-38.5	179.6	-66	-5.9	0	0	0	111.8	I388 H391 L392 F398 V411 Y417 L418 L419 L427 P428 L434	I388-F415 HydrophobicContact CD1-CB 4.15Å; I388-F415 HydrophobicContact CG1-CB 3.86Å; I388-F415 HydrophobicContact CG2-CD2 4.23Å; H391-F415 AromaticContact CD2-CE2 3.49Å; H391-F415 VanDerWaalsContact CD2-CE2 3.49Å; H391-F415 WeakPolarHBondContact CD2-CE2 3.23Å; H391-F415 AromaticContact CD2-CZ 3.84Å; L392-F415 HydrophobicContact CD2-CE2 4.4Å; F398-F415 HydrophobicContact CD2-CE2 4.31Å; F398-F415 AromaticContact CD2-CZ 3.85Å; F398-F415 HydrophobicContact CD2-CZ 3.85Å; F398-F415 AromaticContact CE2-CZ 3.86Å; F398-F415 HydrophobicContact CE2-CZ 3.86Å; F398-F415 HydrophobicContact CG-CZ 4.45Å; F398-F415 HydrophobicContact CZ-CZ 4.44Å; V411-F415 HydrophobicContact CG1-CD2 3.75Å; V411-F415 HydrophobicContact CG1-CE2 3.51Å; V411-F415 HydrophobicContact CG1-CG 4.43Å; V411-F415 HydrophobicContact CG1-CZ 4.04Å; V411-F415 WeakPolarHBondContact O-CB 3.25Å; V411-F415 WeakPolarHBondContact O-CG 3.41Å; V411-F415 PolarHBondContact O-N 3.42Å; F415-Y417 VanDerWaalsContact C-N 3.32Å; F415-Y417 PolarHBondContact O-N 3.11Å; F415-L418 PolarHBondContact O-N 3.15Å; F415-L419 VanDerWaalsContact O-CG 3.3Å; F415-L419 WeakPolarHBondContact O-CG 3.34Å; F415-L419 PolarHBondContact O-N 3Å; F415-L427 HydrophobicContact CB-CD2 3.98Å; F415-L427 HydrophobicContact CD1-CD2 4.04Å; F415-L427 HydrophobicContact CD2-CD1 4.31Å; F415-L427 HydrophobicContact CG-CD1 4.36Å; F415-L427 HydrophobicContact CG-CD2 4.01Å; F415-P428 HydrophobicContact CD1-CG 4.29Å; F415-P428 HydrophobicContact CE1-CB 3.93Å; F415-P428 HydrophobicContact CE1-CG 3.72Å; F415-L434 HydrophobicContact CD1-CD1 4.2Å; F415-L434 HydrophobicContact CE1-CD1 3.6Å; F415-L434 HydrophobicContact CZ-CD1 4.2Å
416	G	90.2	Very high	86.5	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-55	-48.4	173.3	0	0	0	0	0	111.7	A412 L418 L419 E420	A412-G416 PolarHBondContact O-N 3.41Å; G416-L418 PolarHBondContact O-N 3.36Å; G416-L419 PolarHBondContact O-N 2.76Å; G416-E420 WeakPolarHBondContact O-CB 2.9Å; G416-E420 WeakPolarHBondContact O-CG 3.48Å; G416-E420 PolarHBondContact O-N 3.3Å
417	Y	88.2	Confident	86.6	Confident	81 Å²	81	43.3 Å²	43.3	32%	0.318	23%	0.23	S	C	.	.	H	α-helix	trans	-58.7	-45	175.9	178	-107.4	0	0	0	113.4	V413 T414 F415 L419 E420 S421 M441 E444	V413-Y417 WeakPolarHBondContact O-CB 3.38Å; V413-Y417 PolarHBondContact O-N 3.18Å; V413-Y417 VanDerWaalsContact O-N 3.08Å; T414-Y417 PolarHBondContact O-N 2.91Å; F415-Y417 VanDerWaalsContact C-N 3.32Å; F415-Y417 PolarHBondContact O-N 3.11Å; Y417-L419 PolarHBondContact O-N 3.21Å; Y417-E420 PolarHBondContact O-N 2.84Å; Y417-S421 VanDerWaalsContact O-CB 3.31Å; Y417-S421 WeakPolarHBondContact O-CB 3.49Å; Y417-S421 PolarHBondContact O-N 2.65Å; Y417-S421 PolarHBondContact O-OG 3.19Å; Y417-M441 HydrophobicContact CD1-CB 3.7Å; Y417-M441 HydrophobicContact CD1-CG 3.52Å; Y417-M441 HydrophobicContact CD2-CG 3.88Å; Y417-M441 HydrophobicContact CE1-CB 3.82Å; Y417-M441 HydrophobicContact CE1-CG 3.86Å; Y417-M441 HydrophobicContact CE2-CG 4.21Å; Y417-M441 HydrophobicContact CG-CB 4.24Å; Y417-M441 HydrophobicContact CG-CE 4.46Å; Y417-M441 HydrophobicContact CG-CG 3.52Å; Y417-E444 PolarHBondContact OH-OE2 2.89Å
418	L	90.4	Very high	86.7	Confident	5 Å²	5	43.4 Å²	43.4	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-67.3	-36.2	-178.6	-67.9	174.4	0	0	0	112.6	T414 F415 G416 S421 G422 W423 L427 P428 H437	T414-L418 HydrophobicContact CG2-CD1 4.34Å; T414-L418 WeakPolarHBondContact O-CG 3.37Å; T414-L418 PolarHBondContact O-N 3.14Å; T414-L418 VanDerWaalsContact O-N 3.13Å; F415-L418 PolarHBondContact O-N 3.15Å; G416-L418 PolarHBondContact O-N 3.36Å; L418-S421 WeakPolarHBondContact CA-OG 3.25Å; L418-S421 PolarHBondContact O-OG 2.9Å; L418-G422 PolarHBondContact O-N 3.11Å; L418-W423 HydrophobicContact CB-CB 4.28Å; L418-W423 HydrophobicContact CD2-CB 4.28Å; L418-W423 HydrophobicContact CD2-CD2 4.14Å; L418-W423 HydrophobicContact CD2-CE3 4.32Å; L418-W423 HydrophobicContact CD2-CG 4.12Å; L418-W423 WeakPolarHBondContact O-CB 3.49Å; L418-W423 PolarHBondContact O-N 2.86Å; L418-W423 VanDerWaalsContact O-N 3.11Å; L418-L427 HydrophobicContact CB-CD2 4.06Å; L418-L427 HydrophobicContact CD1-CD2 4.31Å; L418-P428 HydrophobicContact CD1-CG 3.83Å; L418-H437 HydrophobicContact CD1-CB 4.26Å
419	L	89.7	Confident	86.6	Confident	48 Å²	48	51.9 Å²	51.9	25%	0.251	26%	0.262	S	S	.	.	H	α-helix	trans	-70.8	-43.7	176.6	-67.9	173.5	0	0	0	111.3	T384 Q387 I388 F415 G416 Y417 S421 G422 L427	T384-L419 HydrophobicContact CG2-CB 4.42Å; T384-L419 HydrophobicContact CG2-CD1 3.9Å; Q387-L419 HydrophobicContact CB-CD1 3.98Å; I388-L419 HydrophobicContact CG1-CD1 3.86Å; F415-L419 VanDerWaalsContact O-CG 3.3Å; F415-L419 WeakPolarHBondContact O-CG 3.34Å; F415-L419 PolarHBondContact O-N 3Å; G416-L419 PolarHBondContact O-N 2.76Å; Y417-L419 PolarHBondContact O-N 3.21Å; L419-S421 PolarHBondContact O-N 3.4Å; L419-G422 PolarHBondContact O-N 3.19Å; L419-L427 HydrophobicContact CD2-CD1 4.39Å; L419-L427 HydrophobicContact CD2-CD2 4.19Å; L419-L427 HydrophobicContact CD2-CG 4.39Å; L419-L427 HydrophobicContact CG-CD2 4.16Å
420	E	85.4	Confident	86.7	Confident	140 Å²	140	51.2 Å²	51.2	65%	0.654	26%	0.26	S	S	*	.	H	α-helix	trans	-68.1	-33.2	178.7	-72.1	176.7	-175.4	0	0	112.9	G416 Y417 G422	G416-E420 WeakPolarHBondContact O-CB 2.9Å; G416-E420 WeakPolarHBondContact O-CG 3.48Å; G416-E420 PolarHBondContact O-N 3.3Å; Y417-E420 PolarHBondContact O-N 2.84Å; E420-G422 VanDerWaalsContact C-N 3.26Å; E420-G422 PolarHBondContact O-N 3.32Å
421	S	82.2	Confident	86.8	Confident	63 Å²	63	51.5 Å²	51.5	44%	0.441	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-5.1	176.2	56.4	0	0	0	0	114.1	Y417 L418 L419	Y417-S421 VanDerWaalsContact O-CB 3.31Å; Y417-S421 WeakPolarHBondContact O-CB 3.49Å; Y417-S421 PolarHBondContact O-N 2.65Å; Y417-S421 PolarHBondContact O-OG 3.19Å; L418-S421 WeakPolarHBondContact CA-OG 3.25Å; L418-S421 PolarHBondContact O-OG 2.9Å; L419-S421 PolarHBondContact O-N 3.4Å
422	G	77.1	Confident	87	Confident	43 Å²	43	51.4 Å²	51.4	44%	0.443	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	34.1	178.1	0	0	0	0	0	114.1	L418 L419 E420 Q424	L418-G422 PolarHBondContact O-N 3.11Å; L419-G422 PolarHBondContact O-N 3.19Å; E420-G422 VanDerWaalsContact C-N 3.26Å; E420-G422 PolarHBondContact O-N 3.32Å; G422-Q424 PolarHBondContact O-N 3.24Å; G422-Q424 PolarHBondContact O-NE2 3.16Å
423	W	77.4	Confident	87.1	Confident	105 Å²	105	52 Å²	52	40%	0.398	26%	0.264	S	S	.	.			trans	-59.7	125.7	-176.1	-167	-97.2	0	0	0	112.8	L418 H437	L418-W423 HydrophobicContact CB-CB 4.28Å; L418-W423 HydrophobicContact CD2-CB 4.28Å; L418-W423 HydrophobicContact CD2-CD2 4.14Å; L418-W423 HydrophobicContact CD2-CE3 4.32Å; L418-W423 HydrophobicContact CD2-CG 4.12Å; L418-W423 WeakPolarHBondContact O-CB 3.49Å; L418-W423 PolarHBondContact O-N 2.86Å; L418-W423 VanDerWaalsContact O-N 3.11Å; W423-H437 AromaticContact CE2-CE1 3.85Å; W423-H437 AromaticContact CZ2-CE1 3.74Å
424	Q	68.1	Low	87.4	Confident	181 Å²	181	50.4 Å²	50.4	85%	0.846	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-20.3	-168.6	-63.5	-66.8	-51.2	0	0	114.8	G422 G426	G422-Q424 PolarHBondContact O-N 3.24Å; G422-Q424 PolarHBondContact O-NE2 3.16Å; Q424-G426 VanDerWaalsContact C-N 3.35Å; Q424-G426 PolarHBondContact O-N 3.22Å
425	E	70.7	Confident	87.6	Confident	115 Å²	115	50.4 Å²	50.4	54%	0.537	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	12	-172.2	-61.8	-175.4	138.6	0	0	114.3	R596	E425-R596 IonicContact OE1-CZ 2.83Å; E425-R596 IonicContact OE1-NE 3.06Å; E425-R596 IonicContact OE1-NH1 3.99Å; E425-R596 PolarHBondContact OE1-NH1 3.19Å; E425-R596 IonicContact OE1-NH2 3.18Å; E425-R596 WeakPolarHBondContact OE2-CD 3.5Å; E425-R596 IonicContact OE2-CZ 2.73Å; E425-R596 IonicContact OE2-NE 3.94Å; E425-R596 IonicContact OE2-NH1 3.93Å; E425-R596 PolarHBondContact OE2-NH1 3.47Å
426	G	82.1	Confident	87.7	Confident	43 Å²	43	50.4 Å²	50.4	44%	0.443	25%	0.254	S	S	.	.			trans	78.4	174.8	-177.5	0	0	0	0	0	113.7	Q424	Q424-G426 VanDerWaalsContact C-N 3.35Å; Q424-G426 PolarHBondContact O-N 3.22Å
427	L	91.8	Very high	87.8	Confident	26 Å²	26	51.2 Å²	51.2	14%	0.136	26%	0.257	C	S	.	.	S	Bend	trans	-77.4	150.1	179.9	-69.7	175.2	0	0	0	111.8	H391 F415 L418 L419	H391-L427 HydrophobicContact CB-CD1 3.76Å; F415-L427 HydrophobicContact CB-CD2 3.98Å; F415-L427 HydrophobicContact CD1-CD2 4.04Å; F415-L427 HydrophobicContact CD2-CD1 4.31Å; F415-L427 HydrophobicContact CG-CD1 4.36Å; F415-L427 HydrophobicContact CG-CD2 4.01Å; L418-L427 HydrophobicContact CB-CD2 4.06Å; L418-L427 HydrophobicContact CD1-CD2 4.31Å; L419-L427 HydrophobicContact CD2-CD1 4.39Å; L419-L427 HydrophobicContact CD2-CD2 4.19Å; L419-L427 HydrophobicContact CD2-CG 4.39Å; L419-L427 HydrophobicContact CG-CD2 4.16Å
428	P	93.4	Very high	88	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.013	24%	0.242	C	C	.	.			trans	-48.8	143.1	176.8	-30.6	35.9	0	0	0	112.7	H391 F398 F415 L418 E433 L434	H391-P428 PolarHBondContact NE2-O 2.79Å; F398-P428 VanDerWaalsContact CE2-O 3.28Å; F398-P428 WeakPolarHBondContact CE2-O 3.45Å; F415-P428 HydrophobicContact CD1-CG 4.29Å; F415-P428 HydrophobicContact CE1-CB 3.93Å; F415-P428 HydrophobicContact CE1-CG 3.72Å; L418-P428 HydrophobicContact CD1-CG 3.83Å; P428-E433 HydrophobicContact CB-CB 3.86Å; P428-L434 HydrophobicContact CB-CB 4.31Å
429	R	90.6	Very high	88	Confident	180 Å²	180	47.1 Å²	47.1	68%	0.679	24%	0.241	S	C	*	.			trans	-113.4	-22.1	178.6	-64.3	-175.3	-178.5	-173.1	-0.1	113.9	N395 E433	N395-R429 PolarHBondContact ND2-O 3.26Å; R429-E433 PolarHBondContact N-OE2 2.98Å
430	T	93.2	Very high	87.9	Confident	4 Å²	4	45.2 Å²	45.2	3%	0.025	23%	0.233	C	C	.	.	S	Bend	trans	-116.3	157.8	-179.2	63	0	0	0	0	110.7	F398 T432 E433 L434 E643 Q645	F398-T430 WeakPolarHBondContact CZ-O 3.34Å; T430-T432 VanDerWaalsContact C-N 3.29Å; T430-T432 PolarHBondContact O-N 2.79Å; T430-E433 WeakPolarHBondContact CG2-OE1 3.05Å; T430-E433 PolarHBondContact O-N 2.94Å; T430-E433 WeakPolarHBondContact OG1-CB 3.06Å; T430-E433 WeakPolarHBondContact OG1-CG 3.39Å; T430-E433 PolarHBondContact OG1-N 2.82Å; T430-E433 PolarHBondContact OG1-OE1 3.29Å; T430-L434 PolarHBondContact O-N 3.28Å; T430-L434 VanDerWaalsContact O-N 3.13Å; T430-E643 WeakPolarHBondContact CB-OE2 3.48Å; T430-Q645 HydrophobicContact CG2-CG 4.17Å
431	C	93.9	Very high	88	Confident	7 Å²	7	39.2 Å²	39.2	5%	0.047	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-43.4	177.9	-69.6	0	0	0	0	110.4	M401 E433 L434 Y435 F585 E643	M401-C431 PolarHBondContact SD-SG 2.8Å; C431-E433 VanDerWaalsContact C-N 3.33Å; C431-E433 PolarHBondContact O-N 2.83Å; C431-L434 WeakPolarHBondContact O-CB 3.48Å; C431-L434 PolarHBondContact O-N 3.24Å; C431-L434 VanDerWaalsContact O-N 3.14Å; C431-Y435 VanDerWaalsContact O-CD2 3.27Å; C431-Y435 WeakPolarHBondContact O-CD2 3.39Å; C431-Y435 PolarHBondContact O-N 2.84Å; C431-F585 HydrophobicContact CB-CE1 3.99Å; C431-E643 WeakPolarHBondContact CB-OE1 3.36Å; C431-E643 PolarHBondContact N-OE1 3.34Å; C431-E643 PolarHBondContact N-OE2 2.97Å
432	T	96.2	Very high	88.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-40.6	-179.2	-47.6	0	0	0	0	111.7	T430 Y435 S436 F530 F585 G588 L589 A594 E643	T430-T432 VanDerWaalsContact C-N 3.29Å; T430-T432 PolarHBondContact O-N 2.79Å; T432-Y435 PolarHBondContact O-N 3.39Å; T432-S436 WeakPolarHBondContact O-CB 3.43Å; T432-S436 PolarHBondContact O-N 3.03Å; T432-S436 PolarHBondContact O-OG 3.09Å; T432-S436 VanDerWaalsContact O-OG 3.09Å; T432-F530 HydrophobicContact CG2-CD2 4.46Å; T432-F530 HydrophobicContact CG2-CE2 3.88Å; T432-F585 HydrophobicContact CG2-CD1 4.29Å; T432-G588 WeakPolarHBondContact OG1-CA 3.33Å; T432-L589 HydrophobicContact CG2-CD2 4.04Å; T432-L589 HydrophobicContact CG2-CG 3.9Å; T432-A594 HydrophobicContact CG2-CB 3.85Å; T432-E643 WeakPolarHBondContact CB-OE2 3.04Å; T432-E643 PolarHBondContact N-OE2 3.49Å; T432-E643 PolarHBondContact OG1-OE2 3Å
433	E	95.3	Very high	88.2	Confident	14 Å²	14	36.6 Å²	36.6	7%	0.065	17%	0.174	C	C	.	.	H	α-helix	trans	-59.7	-46.3	173.2	-74.4	161.1	-135.8	0	0	111.8	P428 R429 T430 C431 Y435 S436 H437 A593 A594 Q645	P428-E433 HydrophobicContact CB-CB 3.86Å; R429-E433 PolarHBondContact N-OE2 2.98Å; T430-E433 WeakPolarHBondContact CG2-OE1 3.05Å; T430-E433 PolarHBondContact O-N 2.94Å; T430-E433 WeakPolarHBondContact OG1-CB 3.06Å; T430-E433 WeakPolarHBondContact OG1-CG 3.39Å; T430-E433 PolarHBondContact OG1-N 2.82Å; T430-E433 PolarHBondContact OG1-OE1 3.29Å; C431-E433 VanDerWaalsContact C-N 3.33Å; C431-E433 PolarHBondContact O-N 2.83Å; E433-Y435 PolarHBondContact O-N 2.69Å; E433-S436 PolarHBondContact O-N 3.41Å; E433-H437 PolarHBondContact O-CD2 3.48Å; E433-H437 PolarHBondContact O-N 2.91Å; E433-A593 HydrophobicContact CG-CB 4.18Å; E433-A594 HydrophobicContact CG-CB 4.07Å; E433-Q645 PolarHBondContact OE1-NE2 3.15Å
434	L	95.7	Very high	88.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-56.3	-51.4	178.6	171.7	70.8	0	0	0	111.3	F398 V411 T414 F415 P428 T430 C431 H437 F438	F398-L434 HydrophobicContact CD1-CD2 4.1Å; F398-L434 HydrophobicContact CE1-CB 4Å; F398-L434 HydrophobicContact CE1-CD2 3.72Å; F398-L434 HydrophobicContact CE1-CG 4.42Å; F398-L434 HydrophobicContact CZ-CB 4.05Å; F398-L434 HydrophobicContact CZ-CD2 4.49Å; V411-L434 HydrophobicContact CG2-CD1 4.42Å; V411-L434 HydrophobicContact CG2-CD2 3.65Å; T414-L434 HydrophobicContact CG2-CD1 3.86Å; F415-L434 HydrophobicContact CD1-CD1 4.2Å; F415-L434 HydrophobicContact CE1-CD1 3.6Å; F415-L434 HydrophobicContact CZ-CD1 4.2Å; P428-L434 HydrophobicContact CB-CB 4.31Å; T430-L434 PolarHBondContact O-N 3.28Å; T430-L434 VanDerWaalsContact O-N 3.13Å; C431-L434 WeakPolarHBondContact O-CB 3.48Å; C431-L434 PolarHBondContact O-N 3.24Å; C431-L434 VanDerWaalsContact O-N 3.14Å; L434-H437 PolarHBondContact O-N 3.21Å; L434-F438 WeakPolarHBondContact O-CB 3.47Å; L434-F438 PolarHBondContact O-N 3.35Å
435	Y	95.8	Very high	87.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-71.9	-31.3	-177.5	-75.4	-89.4	0	0	0	112.7	M401 I410 C431 T432 E433 F438 C439 T526 V527 F530 F585	M401-Y435 HydrophobicContact CE-CE2 4.44Å; I410-Y435 HydrophobicContact CD1-CE1 4.08Å; I410-Y435 HydrophobicContact CG2-CE1 4.3Å; C431-Y435 VanDerWaalsContact O-CD2 3.27Å; C431-Y435 WeakPolarHBondContact O-CD2 3.39Å; C431-Y435 PolarHBondContact O-N 2.84Å; T432-Y435 PolarHBondContact O-N 3.39Å; E433-Y435 PolarHBondContact O-N 2.69Å; Y435-F438 PolarHBondContact O-N 3.02Å; Y435-C439 PolarHBondContact O-N 2.85Å; Y435-T526 WeakPolarHBondContact CE1-OG1 3.46Å; Y435-T526 VanDerWaalsContact CZ-OG1 3.27Å; Y435-T526 WeakPolarHBondContact OH-CB 3.16Å; Y435-T526 PolarHBondContact OH-OG1 3.19Å; Y435-V527 HydrophobicContact CD1-CG2 4.16Å; Y435-V527 HydrophobicContact CE1-CG2 3.8Å; Y435-F530 HydrophobicContact CD1-CB 4.41Å; Y435-F530 HydrophobicContact CG-CB 4.31Å; Y435-F530 HydrophobicContact CG-CD2 4.46Å; Y435-F530 HydrophobicContact CG-CG 4.25Å; Y435-F585 AromaticContact CD2-CE1 3.6Å; Y435-F585 HydrophobicContact CD2-CE1 3.6Å; Y435-F585 AromaticContact CD2-CZ 3.6Å; Y435-F585 HydrophobicContact CD2-CZ 3.6Å; Y435-F585 HydrophobicContact CE2-CE1 4.21Å; Y435-F585 AromaticContact CE2-CZ 3.84Å; Y435-F585 HydrophobicContact CE2-CZ 3.84Å; Y435-F585 HydrophobicContact CG-CE1 4.19Å; Y435-F585 HydrophobicContact CG-CZ 4.12Å
436	S	94.3	Very high	86.9	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.1	-47.5	170	-75.6	0	0	0	0	111.9	T432 E433 C439 A440 F530 A594	T432-S436 WeakPolarHBondContact O-CB 3.43Å; T432-S436 PolarHBondContact O-N 3.03Å; T432-S436 PolarHBondContact O-OG 3.09Å; T432-S436 VanDerWaalsContact O-OG 3.09Å; E433-S436 PolarHBondContact O-N 3.41Å; S436-C439 PolarHBondContact O-N 2.74Å; S436-A440 WeakPolarHBondContact O-CB 3.48Å; S436-A440 PolarHBondContact O-N 3.34Å; S436-F530 VanDerWaalsContact N-CZ 3.35Å; S436-F530 WeakPolarHBondContact OG-CZ 3.26Å; S436-A594 WeakPolarHBondContact CB-O 3.32Å; S436-A594 PolarHBondContact OG-O 3.29Å
437	H	92.4	Very high	85.1	Confident	18 Å²	18	30.6 Å²	30.6	8%	0.083	16%	0.158	C	C	.	.	H	α-helix	trans	-66.4	-39.3	175.8	-81.4	-75	0	0	0	112.3	T414 L418 W423 E433 L434 A440 M441 P597	T414-H437 HydrophobicContact CG2-CB 3.75Å; L418-H437 HydrophobicContact CD1-CB 4.26Å; W423-H437 AromaticContact CE2-CE1 3.85Å; W423-H437 AromaticContact CZ2-CE1 3.74Å; E433-H437 PolarHBondContact O-CD2 3.48Å; E433-H437 PolarHBondContact O-N 2.91Å; L434-H437 PolarHBondContact O-N 3.21Å; H437-A440 PolarHBondContact O-N 2.92Å; H437-M441 VanDerWaalsContact O-CB 3.24Å; H437-M441 WeakPolarHBondContact O-CB 3.36Å; H437-M441 PolarHBondContact O-N 2.98Å; H437-P597 WeakPolarHBondContact CE1-CG 3.45Å; H437-P597 VanDerWaalsContact NE2-CG 3.34Å; H437-P597 WeakPolarHBondContact NE2-CG 3.31Å
438	F	92.4	Very high	82.6	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.3	-49.8	174.9	177.4	-105	0	0	0	111.5	W409 I410 V413 T414 L434 Y435 M441 R442 V508 V527	W409-F438 HydrophobicContact CZ3-CE2 4.36Å; W409-F438 HydrophobicContact CZ3-CZ 4.4Å; I410-F438 HydrophobicContact CG1-CE2 4.26Å; I410-F438 HydrophobicContact CG1-CZ 4.38Å; I410-F438 HydrophobicContact CG2-CB 4.45Å; I410-F438 HydrophobicContact CG2-CD2 3.87Å; I410-F438 HydrophobicContact CG2-CE2 4.22Å; I410-F438 HydrophobicContact CG2-CG 4.07Å; V413-F438 HydrophobicContact CG2-CD2 4.35Å; V413-F438 HydrophobicContact CG2-CE2 4.14Å; T414-F438 HydrophobicContact CG2-CB 4.48Å; T414-F438 WeakPolarHBondContact OG1-CD2 3.46Å; L434-F438 WeakPolarHBondContact O-CB 3.47Å; L434-F438 PolarHBondContact O-N 3.35Å; Y435-F438 PolarHBondContact O-N 3.02Å; F438-M441 HydrophobicContact CD2-CE 4.39Å; F438-M441 PolarHBondContact O-N 3.27Å; F438-R442 HydrophobicContact CE1-CG 4.41Å; F438-R442 HydrophobicContact CE2-CG 4.31Å; F438-R442 HydrophobicContact CZ-CG 4.2Å; F438-R442 VanDerWaalsContact O-CG 3.3Å; F438-R442 WeakPolarHBondContact O-CG 3.34Å; F438-R442 PolarHBondContact O-N 3.13Å; F438-V508 HydrophobicContact CE1-CG1 4.21Å; F438-V527 HydrophobicContact CE1-CG2 4.2Å
439	C	90.4	Very high	79.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.9	-40.4	178.1	-73.4	0	0	0	0	112.6	Y435 S436 R442 A443 L504 F530 L598	Y435-C439 PolarHBondContact O-N 2.85Å; S436-C439 PolarHBondContact O-N 2.74Å; C439-R442 PolarHBondContact O-N 2.86Å; C439-A443 WeakPolarHBondContact O-CB 3.32Å; C439-A443 PolarHBondContact O-N 3.09Å; C439-L504 HydrophobicContact CB-CD1 4.15Å; C439-L504 WeakPolarHBondContact O-CD1 3.27Å; C439-F530 HydrophobicContact CB-CE1 4.26Å; C439-L598 HydrophobicContact CB-CD2 4.19Å
440	A	87.1	Confident	77.4	Confident	9 Å²	9	41.7 Å²	41.7	7%	0.074	24%	0.235	C	C	.	.	H	α-helix	trans	-61.3	-49.7	176	0	0	0	0	0	111.4	S436 H437 R442 A443 E444 P597	S436-A440 WeakPolarHBondContact O-CB 3.48Å; S436-A440 PolarHBondContact O-N 3.34Å; H437-A440 PolarHBondContact O-N 2.92Å; A440-R442 VanDerWaalsContact C-N 3.32Å; A440-R442 PolarHBondContact O-N 3.39Å; A440-A443 WeakPolarHBondContact O-CB 3.41Å; A440-A443 PolarHBondContact O-N 3.34Å; A440-A443 VanDerWaalsContact O-N 3.1Å; A440-E444 WeakPolarHBondContact O-CG 3.45Å; A440-E444 PolarHBondContact O-N 3.38Å; A440-E444 VanDerWaalsContact O-N 3.07Å; A440-P597 HydrophobicContact CB-CB 4.09Å; A440-P597 WeakPolarHBondContact CB-O 3.34Å
441	M	87	Confident	74.7	Confident	13 Å²	13	52.6 Å²	52.6	6%	0.064	28%	0.276	C	S	.	.	H	α-helix	trans	-57.1	-43.3	175.9	171.1	-114.6	-72	0	0	111.9	V413 T414 Y417 H437 F438 A443 E444 A445	V413-M441 HydrophobicContact CB-CE 4.49Å; V413-M441 HydrophobicContact CG2-CE 4.19Å; V413-M441 WeakPolarHBondContact O-CE 3.47Å; T414-M441 VanDerWaalsContact CA-CE 3.43Å; T414-M441 HydrophobicContact CG2-CE 4.48Å; Y417-M441 HydrophobicContact CD1-CB 3.7Å; Y417-M441 HydrophobicContact CD1-CG 3.52Å; Y417-M441 HydrophobicContact CD2-CG 3.88Å; Y417-M441 HydrophobicContact CE1-CB 3.82Å; Y417-M441 HydrophobicContact CE1-CG 3.86Å; Y417-M441 HydrophobicContact CE2-CG 4.21Å; Y417-M441 HydrophobicContact CG-CB 4.24Å; Y417-M441 HydrophobicContact CG-CE 4.46Å; Y417-M441 HydrophobicContact CG-CG 3.52Å; H437-M441 VanDerWaalsContact O-CB 3.24Å; H437-M441 WeakPolarHBondContact O-CB 3.36Å; H437-M441 PolarHBondContact O-N 2.98Å; F438-M441 HydrophobicContact CD2-CE 4.39Å; F438-M441 PolarHBondContact O-N 3.27Å; M441-A443 VanDerWaalsContact C-N 3.34Å; M441-A443 PolarHBondContact O-N 3.32Å; M441-E444 PolarHBondContact O-N 3.28Å; M441-A445 VanDerWaalsContact O-CB 3.27Å; M441-A445 WeakPolarHBondContact O-CB 3.26Å; M441-A445 PolarHBondContact O-N 3.05Å
442	R	84.9	Confident	71.8	Confident	41 Å²	41	61 Å²	61	16%	0.155	32%	0.315	C	S	.	.	H	α-helix	trans	-67.5	-33.1	177.3	-68.8	-58.5	176.9	113	1.6	113.3	F438 C439 A440 E444 G503 L504 G507	F438-R442 HydrophobicContact CE1-CG 4.41Å; F438-R442 HydrophobicContact CE2-CG 4.31Å; F438-R442 HydrophobicContact CZ-CG 4.2Å; F438-R442 VanDerWaalsContact O-CG 3.3Å; F438-R442 WeakPolarHBondContact O-CG 3.34Å; F438-R442 PolarHBondContact O-N 3.13Å; C439-R442 PolarHBondContact O-N 2.86Å; A440-R442 VanDerWaalsContact C-N 3.32Å; A440-R442 PolarHBondContact O-N 3.39Å; R442-E444 VanDerWaalsContact C-N 3.27Å; R442-E444 PolarHBondContact O-N 3.49Å; R442-G503 CarbonylContact O-C 3.44Å; R442-G503 VanDerWaalsContact O-C 3.28Å; R442-L504 HydrophobicContact CB-CD1 4.19Å; R442-G507 VanDerWaalsContact NH1-CA 3.31Å; R442-G507 PolarHBondContact NH1-O 3.29Å
443	A	79.9	Confident	69.1	Low	10 Å²	10	66.8 Å²	66.8	8%	0.083	35%	0.352	C	S	.	.	H	α-helix	trans	-66.6	-31	173.5	0	0	0	0	0	112.3	C439 A440 M441 N463 L504 L601	C439-A443 WeakPolarHBondContact O-CB 3.32Å; C439-A443 PolarHBondContact O-N 3.09Å; A440-A443 WeakPolarHBondContact O-CB 3.41Å; A440-A443 PolarHBondContact O-N 3.34Å; A440-A443 VanDerWaalsContact O-N 3.1Å; M441-A443 VanDerWaalsContact C-N 3.34Å; M441-A443 PolarHBondContact O-N 3.32Å; A443-N463 PolarHBondContact O-ND2 3.35Å; A443-L504 HydrophobicContact CB-CB 4.26Å; A443-L504 HydrophobicContact CB-CD1 4.44Å; A443-L601 HydrophobicContact CB-CD1 4.19Å; A443-L601 HydrophobicContact CB-CD2 4.37Å
444	E	76.1	Confident	66.8	Low	111 Å²	111	70.9 Å²	70.9	52%	0.519	37%	0.373	S	S	.	.	H	α-helix	trans	-83	-41.4	178.1	-68.8	172	179.3	0	0	113.2	Y417 A440 M441 R442 G446	Y417-E444 PolarHBondContact OH-OE2 2.89Å; A440-E444 WeakPolarHBondContact O-CG 3.45Å; A440-E444 PolarHBondContact O-N 3.38Å; A440-E444 VanDerWaalsContact O-N 3.07Å; M441-E444 PolarHBondContact O-N 3.28Å; R442-E444 VanDerWaalsContact C-N 3.27Å; R442-E444 PolarHBondContact O-N 3.49Å; E444-G446 PolarHBondContact O-N 3.13Å
445	A	60.8	Low	64.6	Low	67 Å²	67	78.5 Å²	78.5	55%	0.554	41%	0.407	S	S	*	.	H	α-helix	trans	-78	-11.8	-170.5	0	0	0	0	0	115.4	M441 E447	M441-A445 VanDerWaalsContact O-CB 3.27Å; M441-A445 WeakPolarHBondContact O-CB 3.26Å; M441-A445 PolarHBondContact O-N 3.05Å; A445-E447 PolarHBondContact O-N 2.68Å
446	G	52.3	Low	62.4	Low	30 Å²	30	85.8 Å²	85.8	31%	0.309	44%	0.443	S	S	.	.			trans	-75.6	24.1	-179.3	0	0	0	0	0	115.7	E444	E444-G446 PolarHBondContact O-N 3.13Å
447	E	43.4	Very low	60.4	Low	111 Å²	111	92.6 Å²	92.6	52%	0.519	48%	0.479	S	S	.	.			trans	-92.8	129.6	174.5	-67.4	-148.8	159	0	0	112.1	A445 R449	A445-E447 PolarHBondContact O-N 2.68Å; E447-R449 PolarHBondContact O-N 3.11Å
448	P	39	Very low	58.7	Low	106 Å²	106	97.8 Å²	97.8	69%	0.688	50%	0.503	S	S	*	.			trans	-69	112.6	162.7	27	-29.3	0	0	0	108.7	G450	P448-G450 PolarHBondContact O-N 2.73Å
449	R	34.5	Very low	57	Low	258 Å²	258	99.8 Å²	99.8	97%	0.974	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	98.6	169.2	-69.1	-175.1	-178	-171.3	1.3	108.8	E447	E447-R449 PolarHBondContact O-N 3.11Å
450	G	40.3	Very low	55.7	Low	76 Å²	76	102.6 Å²	102.6	78%	0.784	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	144.6	8.6	174.4	0	0	0	0	0	119.6	P448	P448-G450 PolarHBondContact O-N 2.73Å
451	R	36.8	Very low	54.9	Low	234 Å²	234	103.5 Å²	103.5	88%	0.883	54%	0.539	S	S	*	.	S	Bend	trans	-126.1	157.7	167.7	-77.2	-169.7	179.5	-175.9	1.4	112.1
452	E	34	Very low	54.3	Low	183 Å²	183	107.5 Å²	107.5	86%	0.855	56%	0.561	S	S	*	*			trans	-46	138.9	-173.9	-73.3	-175.7	161.2	0	0	113.2	I454	E452-I454 PolarHBondContact O-N 3.23Å
453	P	38.1	Very low	54	Low	121 Å²	121	106.3 Å²	106.3	79%	0.786	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-66.1	120.7	-173.4	24.7	-32	0	0	0	111.5
454	I	47.1	Very low	54.1	Low	100 Å²	100	110.9 Å²	110.9	51%	0.513	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-68.8	136.9	168.2	-59.3	167.1	0	0	0	107.9	E452 M456 L459	E452-I454 PolarHBondContact O-N 3.23Å; I454-M456 PolarHBondContact O-N 3.05Å; I454-L459 HydrophobicContact CB-CD1 3.61Å; I454-L459 HydrophobicContact CD1-CD1 3.68Å; I454-L459 HydrophobicContact CG1-CD1 4.23Å; I454-L459 HydrophobicContact CG2-CB 4.41Å; I454-L459 HydrophobicContact CG2-CD1 3.65Å
455	K	49.8	Very low	54.4	Low	160 Å²	160	113.9 Å²	113.9	70%	0.696	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-58.6	124.9	176.8	-69.9	-178.1	178.1	180	0	110.3	D457 Q458 L459	K455-D457 PolarHBondContact O-N 3.15Å; K455-Q458 PolarHBondContact O-N 3.23Å; K455-L459 PolarHBondContact O-N 3.21Å
456	M	48.8	Very low	55.7	Low	154 Å²	154	111.1 Å²	111.1	76%	0.759	56%	0.555	S	S	*	*	H	α-helix	trans	-50.7	-34	-175.4	-76.9	-142.5	178	0	0	114.6	I454 Q458 L459 N460	I454-M456 PolarHBondContact O-N 3.05Å; M456-Q458 PolarHBondContact O-N 3.16Å; M456-L459 PolarHBondContact O-N 3.19Å; M456-N460 WeakPolarHBondContact O-CB 3.43Å; M456-N460 PolarHBondContact O-N 3.21Å; M456-N460 PolarHBondContact O-ND2 2.83Å
457	D	54.1	Low	57.4	Low	142 Å²	142	110 Å²	110	76%	0.759	54%	0.542	S	S	*	.	H	α-helix	trans	-67.1	-35.1	179.3	-66.3	-32	0	0	0	113.8	K455 G461	K455-D457 PolarHBondContact O-N 3.15Å; D457-G461 PolarHBondContact O-N 3.3Å
458	Q	56.3	Low	59.6	Low	128 Å²	128	105.9 Å²	105.9	60%	0.598	53%	0.529	S	S	*	.	H	α-helix	trans	-76.5	-35.4	177.6	-70.2	-178.5	-5.8	0	0	111.4	K455 M456 G461 N462	K455-Q458 PolarHBondContact O-N 3.23Å; M456-Q458 PolarHBondContact O-N 3.16Å; Q458-G461 PolarHBondContact O-N 3.27Å; Q458-N462 PolarHBondContact O-N 2.73Å; Q458-N462 VanDerWaalsContact O-N 3.16Å
459	L	56.8	Low	62.1	Low	41 Å²	41	102 Å²	102	22%	0.215	50%	0.504	C	S	.	.	H	α-helix	trans	-67.2	-45.8	178.1	-147.2	111.6	0	0	0	111.4	I454 K455 M456 G461 N462 N463	I454-L459 HydrophobicContact CB-CD1 3.61Å; I454-L459 HydrophobicContact CD1-CD1 3.68Å; I454-L459 HydrophobicContact CG1-CD1 4.23Å; I454-L459 HydrophobicContact CG2-CB 4.41Å; I454-L459 HydrophobicContact CG2-CD1 3.65Å; K455-L459 PolarHBondContact O-N 3.21Å; M456-L459 PolarHBondContact O-N 3.19Å; L459-G461 VanDerWaalsContact C-N 3.26Å; L459-G461 PolarHBondContact O-N 3.49Å; L459-N462 PolarHBondContact O-N 3.47Å; L459-N463 PolarHBondContact O-N 3.15Å
460	N	62.6	Low	64.9	Low	59 Å²	59	89.7 Å²	89.7	32%	0.316	46%	0.458	S	S	.	.	H	α-helix	trans	-60.2	-36.3	172.3	-75.3	-22.6	0	0	0	111.9	M456 N462 R464	M456-N460 WeakPolarHBondContact O-CB 3.43Å; M456-N460 PolarHBondContact O-N 3.21Å; M456-N460 PolarHBondContact O-ND2 2.83Å; N460-N462 PolarHBondContact O-N 3.34Å; N460-R464 WeakPolarHBondContact O-CB 3.36Å; N460-R464 PolarHBondContact O-N 2.73Å
461	G	69.3	Low	67.4	Low	28 Å²	28	86.1 Å²	86.1	29%	0.289	42%	0.421	S	S	.	.	H	α-helix	trans	-64.4	-35.4	175.6	0	0	0	0	0	114.6	D457 Q458 L459 R465	D457-G461 PolarHBondContact O-N 3.3Å; Q458-G461 PolarHBondContact O-N 3.27Å; L459-G461 VanDerWaalsContact C-N 3.26Å; L459-G461 PolarHBondContact O-N 3.49Å; G461-R465 PolarHBondContact O-N 3.29Å; G461-R465 PolarHBondContact O-NE 3.18Å
462	N	75.3	Confident	70.2	Confident	98 Å²	98	80.1 Å²	80.1	52%	0.524	40%	0.399	S	S	.	.	H	α-helix	trans	-78.3	-48.5	177.6	-73.8	-8.4	0	0	0	111.7	Q458 L459 N460 R464 R465 L466	Q458-N462 PolarHBondContact O-N 2.73Å; Q458-N462 VanDerWaalsContact O-N 3.16Å; L459-N462 PolarHBondContact O-N 3.47Å; N460-N462 PolarHBondContact O-N 3.34Å; N462-R464 PolarHBondContact O-N 3.13Å; N462-R465 PolarHBondContact O-N 3.48Å; N462-R465 VanDerWaalsContact O-N 3.12Å; N462-R465 PolarHBondContact OD1-NH2 3.37Å; N462-L466 PolarHBondContact O-N 2.96Å
463	N	77.7	Confident	73.1	Confident	15 Å²	15	71.4 Å²	71.4	8%	0.08	36%	0.358	C	S	.	.	H	α-helix	trans	-60.7	-34.4	176.5	-79.5	-24.4	0	0	0	112	A443 L459 L466 L467 L601	A443-N463 PolarHBondContact O-ND2 3.35Å; L459-N463 PolarHBondContact O-N 3.15Å; N463-L466 PolarHBondContact O-N 3.26Å; N463-L467 VanDerWaalsContact O-CB 3.29Å; N463-L467 WeakPolarHBondContact O-CB 3.28Å; N463-L467 PolarHBondContact O-N 3.44Å; N463-L601 HydrophobicContact CB-CD2 3.7Å
464	R	82.4	Confident	75.8	Confident	106 Å²	106	65.7 Å²	65.7	40%	0.4	32%	0.32	S	S	.	.	H	α-helix	trans	-63.2	-44	173.3	173.2	166.7	-176.9	-146.2	-3	113.3	N460 N462 G468 L601 A603	N460-R464 WeakPolarHBondContact O-CB 3.36Å; N460-R464 PolarHBondContact O-N 2.73Å; N462-R464 PolarHBondContact O-N 3.13Å; R464-G468 PolarHBondContact O-N 2.87Å; R464-G468 VanDerWaalsContact O-N 3.1Å; R464-L601 VanDerWaalsContact CD-O 3.27Å; R464-L601 WeakPolarHBondContact CD-O 3.2Å; R464-L601 WeakPolarHBondContact CG-O 3.35Å; R464-A603 VanDerWaalsContact NH1-CB 3.27Å; R464-A603 VanDerWaalsContact NH2-CB 3.32Å
465	R	84	Confident	78.1	Confident	174 Å²	174	61 Å²	61	66%	0.657	30%	0.296	S	S	*	.	H	α-helix	trans	-65.8	-41.5	176.2	-80.8	-174	-91.6	178.5	-4.8	111.2	G461 N462 G468 S469	G461-R465 PolarHBondContact O-N 3.29Å; G461-R465 PolarHBondContact O-NE 3.18Å; N462-R465 PolarHBondContact O-N 3.48Å; N462-R465 VanDerWaalsContact O-N 3.12Å; N462-R465 PolarHBondContact OD1-NH2 3.37Å; R465-G468 PolarHBondContact O-N 3.12Å; R465-S469 PolarHBondContact O-N 3.36Å; R465-S469 VanDerWaalsContact O-N 3.08Å; R465-S469 PolarHBondContact O-OG 3.21Å
466	L	87.5	Confident	80.2	Confident	10 Å²	10	55 Å²	55	5%	0.052	27%	0.27	C	S	.	.	H	α-helix	trans	-63	-48.1	176.3	-177.7	59.1	0	0	0	111.3	N462 N463 G468 S469 L470 V495 T500 L504	N462-L466 PolarHBondContact O-N 2.96Å; N463-L466 PolarHBondContact O-N 3.26Å; L466-G468 VanDerWaalsContact C-N 3.29Å; L466-G468 PolarHBondContact O-N 3.34Å; L466-S469 PolarHBondContact O-N 3.08Å; L466-L470 HydrophobicContact CD1-CD1 3.96Å; L466-L470 HydrophobicContact CD1-CD2 4.36Å; L466-L470 HydrophobicContact CD1-CG 3.86Å; L466-L470 HydrophobicContact CD2-CD1 4.4Å; L466-L470 HydrophobicContact CG-CD1 3.78Å; L466-L470 HydrophobicContact CG-CG 4.13Å; L466-L470 WeakPolarHBondContact O-CB 3.27Å; L466-L470 WeakPolarHBondContact O-CG 3.47Å; L466-L470 PolarHBondContact O-N 2.92Å; L466-V495 HydrophobicContact CD1-CG1 4.15Å; L466-T500 HydrophobicContact CD1-CG2 4.5Å; L466-L504 HydrophobicContact CD2-CB 4.4Å
467	L	88.2	Confident	82.3	Confident	6 Å²	6	47.8 Å²	47.8	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-55.1	-44.2	175.8	-177.9	70.6	0	0	0	111.7	N463 S469 G471 L504 L531 T534 L601 L602	N463-L467 VanDerWaalsContact O-CB 3.29Å; N463-L467 WeakPolarHBondContact O-CB 3.28Å; N463-L467 PolarHBondContact O-N 3.44Å; L467-S469 VanDerWaalsContact C-N 3.34Å; L467-S469 PolarHBondContact O-N 3.23Å; L467-G471 PolarHBondContact O-N 3.37Å; L467-L504 HydrophobicContact CB-CD2 3.94Å; L467-L504 HydrophobicContact CD1-CD2 3.77Å; L467-L504 HydrophobicContact CG-CD2 4.46Å; L467-L531 HydrophobicContact CD1-CD2 3.45Å; L467-L531 VanDerWaalsContact CD1-CD2 3.45Å; L467-T534 HydrophobicContact CD2-CG2 4.36Å; L467-L601 HydrophobicContact CD2-CB 3.82Å; L467-L601 HydrophobicContact CD2-CD1 4.33Å; L467-L602 HydrophobicContact CD2-CD2 3.95Å
468	G	88.3	Confident	84	Confident	24 Å²	24	41.1 Å²	41.1	25%	0.247	20%	0.199	C	C	.	.	H	α-helix	trans	-64.1	-36	177.2	0	0	0	0	0	113.8	R464 R465 L466 R472	R464-G468 PolarHBondContact O-N 2.87Å; R464-G468 VanDerWaalsContact O-N 3.1Å; R465-G468 PolarHBondContact O-N 3.12Å; L466-G468 VanDerWaalsContact C-N 3.29Å; L466-G468 PolarHBondContact O-N 3.34Å; G468-R472 WeakPolarHBondContact O-CB 3.46Å; G468-R472 PolarHBondContact O-N 3.26Å
469	S	91.9	Very high	85.7	Confident	25 Å²	25	37.4 Å²	37.4	18%	0.175	18%	0.183	C	C	.	.	H	α-helix	trans	-78.9	-41.9	-179.8	-49.9	0	0	0	0	111.5	R465 L466 L467 R472 L473 G494	R465-S469 PolarHBondContact O-N 3.36Å; R465-S469 VanDerWaalsContact O-N 3.08Å; R465-S469 PolarHBondContact O-OG 3.21Å; L466-S469 PolarHBondContact O-N 3.08Å; L467-S469 VanDerWaalsContact C-N 3.34Å; L467-S469 PolarHBondContact O-N 3.23Å; S469-R472 WeakPolarHBondContact O-CB 3.47Å; S469-R472 PolarHBondContact O-N 2.77Å; S469-L473 PolarHBondContact O-N 3.21Å; S469-G494 WeakPolarHBondContact CB-O 3.43Å; S469-G494 PolarHBondContact OG-O 3.21Å
470	L	93.3	Very high	87.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-42.5	172.8	-69.2	177.9	0	0	0	111.9	L466 R472 L473 A474 V495 V508 L509 L531	L466-L470 HydrophobicContact CD1-CD1 3.96Å; L466-L470 HydrophobicContact CD1-CD2 4.36Å; L466-L470 HydrophobicContact CD1-CG 3.86Å; L466-L470 HydrophobicContact CD2-CD1 4.4Å; L466-L470 HydrophobicContact CG-CD1 3.78Å; L466-L470 HydrophobicContact CG-CG 4.13Å; L466-L470 WeakPolarHBondContact O-CB 3.27Å; L466-L470 WeakPolarHBondContact O-CG 3.47Å; L466-L470 PolarHBondContact O-N 2.92Å; L470-R472 VanDerWaalsContact C-N 3.29Å; L470-R472 PolarHBondContact O-N 3Å; L470-L473 WeakPolarHBondContact O-CB 3.05Å; L470-L473 PolarHBondContact O-N 2.98Å; L470-A474 VanDerWaalsContact O-CB 3.27Å; L470-A474 WeakPolarHBondContact O-CB 3.45Å; L470-A474 PolarHBondContact O-N 2.88Å; L470-V495 HydrophobicContact CD2-CG1 4.05Å; L470-V495 HydrophobicContact CD2-CG2 4.11Å; L470-V508 HydrophobicContact CD1-CG2 3.82Å; L470-L509 HydrophobicContact CD2-CD1 3.64Å; L470-L509 HydrophobicContact CD2-CG 4.27Å; L470-L531 HydrophobicContact CB-CD1 4.49Å
471	G	94.1	Very high	88.4	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-65.6	-33.1	176.4	0	0	0	0	0	112.8	L467 F475 L531 Y535	L467-G471 PolarHBondContact O-N 3.37Å; G471-F475 WeakPolarHBondContact O-CB 3.46Å; G471-F475 PolarHBondContact O-N 3.36Å; G471-L531 VanDerWaalsContact CA-O 3.31Å; G471-L531 WeakPolarHBondContact CA-O 3.41Å; G471-Y535 VanDerWaalsContact C-CB 3.4Å; G471-Y535 WeakPolarHBondContact O-CB 3.03Å
472	R	93.9	Very high	89.3	Confident	108 Å²	108	42.9 Å²	42.9	41%	0.408	20%	0.195	S	C	.	.	H	α-helix	trans	-66.3	-49	171.7	-173.2	-175.3	-58.3	-180	2.8	111.8	G468 S469 L470 A474 F475 Y476 Y493 Y535	G468-R472 WeakPolarHBondContact O-CB 3.46Å; G468-R472 PolarHBondContact O-N 3.26Å; S469-R472 WeakPolarHBondContact O-CB 3.47Å; S469-R472 PolarHBondContact O-N 2.77Å; L470-R472 VanDerWaalsContact C-N 3.29Å; L470-R472 PolarHBondContact O-N 3Å; R472-A474 VanDerWaalsContact C-N 3.26Å; R472-A474 PolarHBondContact O-N 3.32Å; R472-F475 PolarHBondContact O-N 2.96Å; R472-Y476 HydrophobicContact CG-CD2 3.78Å; R472-Y476 HydrophobicContact CG-CE2 3.81Å; R472-Y476 WeakPolarHBondContact O-CD2 3.29Å; R472-Y476 PolarHBondContact O-N 3.42Å; R472-Y476 VanDerWaalsContact O-N 3.12Å; R472-Y493 HydrophobicContact CG-CD1 4.26Å; R472-Y535 HydrophobicContact CB-CD2 4.02Å; R472-Y535 HydrophobicContact CB-CE1 4.48Å; R472-Y535 HydrophobicContact CB-CE2 3.74Å; R472-Y535 HydrophobicContact CG-CE1 4.45Å; R472-Y535 HydrophobicContact CG-CE2 4.12Å
473	L	95.1	Very high	89.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-54.6	-46.4	174.4	177.3	72.2	0	0	0	110.5	S469 L470 G477 F485 M490 Y493 V495 F522	S469-L473 PolarHBondContact O-N 3.21Å; L470-L473 WeakPolarHBondContact O-CB 3.05Å; L470-L473 PolarHBondContact O-N 2.98Å; L473-G477 WeakPolarHBondContact O-CA 3.43Å; L473-G477 PolarHBondContact O-N 2.83Å; L473-F485 HydrophobicContact CD1-CD1 3.49Å; L473-F485 VanDerWaalsContact CD1-CD1 3.49Å; L473-F485 HydrophobicContact CD1-CE1 3.68Å; L473-F485 HydrophobicContact CD1-CG 4.08Å; L473-F485 HydrophobicContact CD1-CZ 4.42Å; L473-F485 HydrophobicContact CD2-CD2 4.45Å; L473-F485 HydrophobicContact CD2-CG 4.36Å; L473-F485 HydrophobicContact CG-CD1 4.1Å; L473-F485 HydrophobicContact CG-CE1 4Å; L473-F485 HydrophobicContact CG-CG 4.42Å; L473-F485 HydrophobicContact CG-CZ 4.26Å; L473-M490 HydrophobicContact CD2-CE 4.28Å; L473-M490 HydrophobicContact CD2-SD 3.48Å; L473-M490 WeakPolarHBondContact CD2-SD 3.3Å; L473-Y493 HydrophobicContact CB-CG 4.37Å; L473-Y493 HydrophobicContact CD1-CD2 3.31Å; L473-Y493 HydrophobicContact CD1-CE2 4.08Å; L473-Y493 HydrophobicContact CD1-CG 3.83Å; L473-V495 HydrophobicContact CB-CG2 4.43Å; L473-V495 HydrophobicContact CD2-CG2 4.3Å; L473-F522 HydrophobicContact CD2-CE2 4.4Å; L473-F522 HydrophobicContact CD2-CZ 4.12Å; L473-F522 HydrophobicContact CG-CZ 4.45Å
474	A	96	Very high	90.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.8	-49.6	179.7	0	0	0	0	0	112.3	L470 R472 G477 L478 F522 Q528 L531 A532	L470-A474 VanDerWaalsContact O-CB 3.27Å; L470-A474 WeakPolarHBondContact O-CB 3.45Å; L470-A474 PolarHBondContact O-N 2.88Å; R472-A474 VanDerWaalsContact C-N 3.26Å; R472-A474 PolarHBondContact O-N 3.32Å; A474-G477 PolarHBondContact O-N 3.42Å; A474-L478 WeakPolarHBondContact O-CG 3.36Å; A474-L478 PolarHBondContact O-N 2.96Å; A474-F522 HydrophobicContact CB-CE1 4.43Å; A474-F522 HydrophobicContact CB-CE2 4.05Å; A474-F522 HydrophobicContact CB-CZ 3.73Å; A474-Q528 HydrophobicContact CB-CG 3.72Å; A474-Q528 WeakPolarHBondContact CB-O 3.36Å; A474-Q528 PolarHBondContact O-NE2 3.48Å; A474-L531 HydrophobicContact CB-CB 4.03Å; A474-A532 HydrophobicContact CB-CB 4.09Å
475	F	95.5	Very high	90.8	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-51.8	-178	179.5	-108.3	0	0	0	112.4	G471 R472 G477 L478 L479 A532 Y535 Y536 L547 F548 F582	G471-F475 WeakPolarHBondContact O-CB 3.46Å; G471-F475 PolarHBondContact O-N 3.36Å; R472-F475 PolarHBondContact O-N 2.96Å; F475-G477 VanDerWaalsContact C-N 3.3Å; F475-G477 PolarHBondContact O-N 3.32Å; F475-L478 PolarHBondContact O-N 3.44Å; F475-L479 HydrophobicContact CD1-CD1 4.31Å; F475-L479 HydrophobicContact CE1-CD1 3.73Å; F475-L479 HydrophobicContact CZ-CD1 3.88Å; F475-L479 HydrophobicContact CZ-CG 4.44Å; F475-L479 PolarHBondContact O-N 3.3Å; F475-A532 HydrophobicContact CB-CB 3.89Å; F475-A532 HydrophobicContact CD2-CB 4.3Å; F475-Y535 HydrophobicContact CB-CD1 3.82Å; F475-Y535 HydrophobicContact CB-CE1 4.35Å; F475-Y535 HydrophobicContact CD1-CD1 4.22Å; F475-Y535 HydrophobicContact CD1-CE1 4.06Å; F475-Y535 HydrophobicContact CG-CD1 4.1Å; F475-Y535 HydrophobicContact CG-CE1 4.41Å; F475-Y536 HydrophobicContact CD2-CD2 4.31Å; F475-Y536 HydrophobicContact CE1-CD2 4.36Å; F475-Y536 AromaticContact CE2-CD2 3.59Å; F475-Y536 HydrophobicContact CE2-CD2 3.59Å; F475-Y536 HydrophobicContact CE2-CE2 4.18Å; F475-Y536 HydrophobicContact CE2-CG 4.46Å; F475-Y536 AromaticContact CZ-CD2 3.63Å; F475-Y536 HydrophobicContact CZ-CD2 3.63Å; F475-Y536 AromaticContact CZ-CE2 3.92Å; F475-Y536 HydrophobicContact CZ-CE2 3.92Å; F475-L547 HydrophobicContact CE1-CB 4.39Å; F475-L547 WeakPolarHBondContact CE1-O 3.41Å; F475-F548 HydrophobicContact CE2-CE1 4.32Å; F475-F548 HydrophobicContact CE2-CZ 4.26Å; F475-F548 HydrophobicContact CZ-CD1 4.25Å; F475-F548 HydrophobicContact CZ-CE1 4.14Å; F475-F548 HydrophobicContact CZ-CE2 4.48Å; F475-F548 HydrophobicContact CZ-CG 4.49Å; F475-F548 HydrophobicContact CZ-CZ 4.25Å; F475-F582 AromaticContact CD2-CE2 3.84Å; F475-F582 HydrophobicContact CD2-CE2 3.84Å; F475-F582 HydrophobicContact CD2-CZ 4.15Å; F475-F582 HydrophobicContact CE2-CE2 4.01Å; F475-F582 AromaticContact CE2-CZ 3.83Å; F475-F582 HydrophobicContact CE2-CZ 3.83Å
476	Y	92.9	Very high	91.1	Very high	36 Å²	36	28.2 Å²	28.2	14%	0.141	14%	0.137	C	C	.	.	H	α-helix	trans	-71.9	-26	178.4	-70.7	-69.7	0	0	0	112.9	R472 L479 K480 Y493	R472-Y476 HydrophobicContact CG-CD2 3.78Å; R472-Y476 HydrophobicContact CG-CE2 3.81Å; R472-Y476 WeakPolarHBondContact O-CD2 3.29Å; R472-Y476 PolarHBondContact O-N 3.42Å; R472-Y476 VanDerWaalsContact O-N 3.12Å; Y476-L479 HydrophobicContact CD1-CD1 4.16Å; Y476-L479 HydrophobicContact CE1-CD1 4.5Å; Y476-K480 WeakPolarHBondContact O-CB 3.43Å; Y476-K480 WeakPolarHBondContact O-CG 3.14Å; Y476-K480 PolarHBondContact O-N 3.04Å; Y476-Y493 HydrophobicContact CD2-CD1 4.22Å; Y476-Y493 AromaticContact CD2-CE1 3.8Å; Y476-Y493 HydrophobicContact CD2-CE1 3.8Å; Y476-Y493 AromaticContact CG-CE1 3.89Å; Y476-Y493 HydrophobicContact CG-CE1 3.89Å
477	G	92.4	Very high	91.1	Very high	2 Å²	2	30.7 Å²	30.7	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-61.1	-45.9	169.3	0	0	0	0	0	111.8	L473 A474 F475 L479 K480 H481 K482	L473-G477 WeakPolarHBondContact O-CA 3.43Å; L473-G477 PolarHBondContact O-N 2.83Å; A474-G477 PolarHBondContact O-N 3.42Å; F475-G477 VanDerWaalsContact C-N 3.3Å; F475-G477 PolarHBondContact O-N 3.32Å; G477-L479 PolarHBondContact O-N 3.37Å; G477-K480 CarbonylContact O-C 3.45Å; G477-K480 PolarHBondContact O-N 3.1Å; G477-H481 PolarHBondContact O-N 3.33Å; G477-H481 VanDerWaalsContact O-N 3.15Å; G477-K482 CarbonylContact C-O 3.57Å; G477-K482 PolarHBondContact O-N 2.88Å
478	L	91.6	Very high	91.1	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-45.2	176.9	-69.3	167.8	0	0	0	111.9	A474 F475 K480 H481 Y483 L525 Q528 E529 A532	A474-L478 WeakPolarHBondContact O-CG 3.36Å; A474-L478 PolarHBondContact O-N 2.96Å; F475-L478 PolarHBondContact O-N 3.44Å; L478-K480 PolarHBondContact O-N 3.16Å; L478-H481 PolarHBondContact O-N 3.33Å; L478-H481 VanDerWaalsContact O-N 3.16Å; L478-Y483 HydrophobicContact CD2-CE1 4.5Å; L478-L525 HydrophobicContact CD2-CD1 3.93Å; L478-Q528 HydrophobicContact CD1-CG 4.5Å; L478-Q528 HydrophobicContact CD2-CG 4.16Å; L478-Q528 HydrophobicContact CG-CG 4.1Å; L478-E529 HydrophobicContact CD1-CB 4.49Å; L478-E529 HydrophobicContact CD1-CG 4.11Å; L478-E529 HydrophobicContact CD2-CG 3.97Å; L478-A532 HydrophobicContact CD1-CB 3.42Å; L478-A532 VanDerWaalsContact CD1-CB 3.42Å
479	L	90.3	Very high	91.2	Very high	49 Å²	49	38.1 Å²	38.1	26%	0.257	18%	0.178	S	C	.	.	H	α-helix	trans	-62.9	-25.9	178.4	-63.4	-177.2	0	0	0	113.6	F475 Y476 G477 F548 L579	F475-L479 HydrophobicContact CD1-CD1 4.31Å; F475-L479 HydrophobicContact CE1-CD1 3.73Å; F475-L479 HydrophobicContact CZ-CD1 3.88Å; F475-L479 HydrophobicContact CZ-CG 4.44Å; F475-L479 PolarHBondContact O-N 3.3Å; Y476-L479 HydrophobicContact CD1-CD1 4.16Å; Y476-L479 HydrophobicContact CE1-CD1 4.5Å; G477-L479 PolarHBondContact O-N 3.37Å; L479-F548 HydrophobicContact CD1-CD1 4.27Å; L479-F548 HydrophobicContact CD2-CD1 3.74Å; L479-F548 HydrophobicContact CD2-CE1 3.66Å; L479-L579 HydrophobicContact CD2-CD2 4.31Å
480	K	88.9	Confident	91.1	Very high	107 Å²	107	36.9 Å²	36.9	47%	0.465	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	9.9	-179.7	-65.4	-176.2	-178.2	-173.6	0	112.9	Y476 G477 L478 K482 E550	Y476-K480 WeakPolarHBondContact O-CB 3.43Å; Y476-K480 WeakPolarHBondContact O-CG 3.14Å; Y476-K480 PolarHBondContact O-N 3.04Å; G477-K480 CarbonylContact O-C 3.45Å; G477-K480 PolarHBondContact O-N 3.1Å; L478-K480 PolarHBondContact O-N 3.16Å; K480-K482 HydrophobicContact CB-CB 4.48Å; K480-K482 PolarHBondContact O-N 2.67Å; K480-E550 WeakPolarHBondContact CE-OE1 3.33Å; K480-E550 IonicContact NZ-OE1 2.71Å; K480-E550 PolarHBondContact NZ-OE1 3.06Å
481	H	87.1	Confident	90.9	Very high	93 Å²	93	44.2 Å²	44.2	43%	0.431	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	39.3	-174.1	-59.1	-85.4	0	0	0	113.1	G477 L478 D576 H578	G477-H481 PolarHBondContact O-N 3.33Å; G477-H481 VanDerWaalsContact O-N 3.15Å; L478-H481 PolarHBondContact O-N 3.33Å; L478-H481 VanDerWaalsContact O-N 3.16Å; H481-D576 IonicContact CE1-OD2 2.87Å; H481-D576 PolarHBondContact CE1-OD2 2.83Å; H481-D576 IonicContact ND1-OD2 3.8Å; H481-H578 AromaticContact CE1-CE1 3.88Å; H481-H578 AromaticContact CE1-CG 3.71Å; H481-H578 AromaticContact CE1-ND1 3.61Å
482	K	88.6	Confident	90.6	Very high	43 Å²	43	48 Å²	48	19%	0.187	23%	0.228	C	C	.	.			trans	-109.3	117.3	-176.8	-169.6	168.3	-177.1	166.7	0	110.7	G477 K480 T484 F485 D489 Q528	G477-K482 CarbonylContact C-O 3.57Å; G477-K482 PolarHBondContact O-N 2.88Å; K480-K482 HydrophobicContact CB-CB 4.48Å; K480-K482 PolarHBondContact O-N 2.67Å; K482-T484 WeakPolarHBondContact CE-O 3.33Å; K482-T484 WeakPolarHBondContact CG-O 3.47Å; K482-F485 HydrophobicContact CB-CE1 4.38Å; K482-F485 HydrophobicContact CD-CD1 4.2Å; K482-F485 HydrophobicContact CD-CE1 4.23Å; K482-F485 HydrophobicContact CG-CD1 4.24Å; K482-F485 HydrophobicContact CG-CE1 4.01Å; K482-F485 VanDerWaalsContact O-CZ 3.28Å; K482-F485 WeakPolarHBondContact O-CZ 3.49Å; K482-D489 VanDerWaalsContact CE-OD2 3.31Å; K482-D489 WeakPolarHBondContact CE-OD2 3.29Å; K482-D489 IonicContact NZ-OD1 3.92Å; K482-D489 PolarHBondContact NZ-OD1 2.86Å; K482-D489 IonicContact NZ-OD2 2.64Å; K482-D489 PolarHBondContact NZ-OD2 2.87Å; K482-Q528 PolarHBondContact O-NE2 3Å
483	Y	87.7	Confident	90.4	Very high	45 Å²	45	44.8 Å²	44.8	18%	0.176	22%	0.216	C	C	.	.			trans	-109.6	-19	-178.2	-50.7	-61.4	0	0	0	113.1	L478 L525	L478-Y483 HydrophobicContact CD2-CE1 4.5Å; Y483-L525 HydrophobicContact CD1-CD1 3.71Å; Y483-L525 HydrophobicContact CE1-CD1 3.55Å
484	T	89.7	Confident	89.9	Confident	13 Å²	13	47 Å²	47	8%	0.08	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.3	177.9	-49.9	0	0	0	0	110.6	W257 K482 A519	W257-T484 HydrophobicContact CB-CG2 3.95Å; K482-T484 WeakPolarHBondContact CE-O 3.33Å; K482-T484 WeakPolarHBondContact CG-O 3.47Å; T484-A519 HydrophobicContact CG2-CB 3.65Å
485	F	90.6	Very high	89.5	Confident	1 Å²	1	47.1 Å²	47.1	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.4	-170.4	-56.8	-84.9	0	0	0	111.1	L473 K482 D489 M490 A519 Y520 F522	L473-F485 HydrophobicContact CD1-CD1 3.49Å; L473-F485 VanDerWaalsContact CD1-CD1 3.49Å; L473-F485 HydrophobicContact CD1-CE1 3.68Å; L473-F485 HydrophobicContact CD1-CG 4.08Å; L473-F485 HydrophobicContact CD1-CZ 4.42Å; L473-F485 HydrophobicContact CD2-CD2 4.45Å; L473-F485 HydrophobicContact CD2-CG 4.36Å; L473-F485 HydrophobicContact CG-CD1 4.1Å; L473-F485 HydrophobicContact CG-CE1 4Å; L473-F485 HydrophobicContact CG-CG 4.42Å; L473-F485 HydrophobicContact CG-CZ 4.26Å; K482-F485 HydrophobicContact CB-CE1 4.38Å; K482-F485 HydrophobicContact CD-CD1 4.2Å; K482-F485 HydrophobicContact CD-CE1 4.23Å; K482-F485 HydrophobicContact CG-CD1 4.24Å; K482-F485 HydrophobicContact CG-CE1 4.01Å; K482-F485 VanDerWaalsContact O-CZ 3.28Å; K482-F485 WeakPolarHBondContact O-CZ 3.49Å; F485-D489 HydrophobicContact CB-CB 4.12Å; F485-D489 HydrophobicContact CD1-CB 4.23Å; F485-M490 HydrophobicContact CB-SD 4.08Å; F485-A519 WeakPolarHBondContact O-CA 3.5Å; F485-Y520 WeakPolarHBondContact CD2-O 3.5Å; F485-Y520 PolarHBondContact N-O 3.06Å; F485-Y520 PolarHBondContact O-N 3.26Å; F485-F522 HydrophobicContact CD2-CE2 4.41Å; F485-F522 AromaticContact CE2-CD2 3.89Å; F485-F522 HydrophobicContact CE2-CD2 3.89Å; F485-F522 AromaticContact CE2-CE2 3.64Å; F485-F522 HydrophobicContact CE2-CE2 3.64Å; F485-F522 HydrophobicContact CZ-CE2 4.13Å
486	S	89.4	Confident	88.8	Confident	26 Å²	26	52 Å²	52	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	166.2	171.6	67.4	0	0	0	0	111.2	Q488 D489 M490	S486-Q488 PolarHBondContact O-N 2.82Å; S486-D489 WeakPolarHBondContact CB-OD2 3.31Å; S486-D489 PolarHBondContact N-OD2 3.33Å; S486-D489 WeakPolarHBondContact O-CB 3.47Å; S486-D489 PolarHBondContact O-N 3.46Å; S486-D489 VanDerWaalsContact OG-CG 3.27Å; S486-D489 PolarHBondContact OG-N 3.31Å; S486-D489 PolarHBondContact OG-OD2 2.9Å; S486-M490 WeakPolarHBondContact O-CG 3.25Å; S486-M490 PolarHBondContact O-N 2.88Å
487	E	88.3	Confident	88.1	Confident	63 Å²	63	51.6 Å²	51.6	29%	0.294	27%	0.266	S	S	.	.	H	α-helix	trans	-56.1	-33.1	173	-72.9	-165.2	168.9	0	0	113.8	M490 R491 L497 Y520	E487-M490 PolarHBondContact O-N 3.04Å; E487-R491 WeakPolarHBondContact O-CG 3.44Å; E487-R491 PolarHBondContact O-N 2.96Å; E487-R491 VanDerWaalsContact O-N 3.16Å; E487-R491 IonicContact OE2-NH2 3.73Å; E487-R491 PolarHBondContact OE2-NH2 3.07Å; E487-L497 HydrophobicContact CB-CD1 4.45Å; E487-L497 HydrophobicContact CG-CD1 4.29Å; E487-Y520 HydrophobicContact CG-CE2 3.8Å
488	Q	87.9	Confident	87.2	Confident	156 Å²	156	56 Å²	56	73%	0.729	29%	0.294	S	S	*	.	H	α-helix	trans	-66	-40.8	176.4	-65.7	179.7	1.6	0	0	111.1	S486 R491 A492	S486-Q488 PolarHBondContact O-N 2.82Å; Q488-R491 PolarHBondContact O-N 3.45Å; Q488-A492 WeakPolarHBondContact O-CB 3.4Å; Q488-A492 PolarHBondContact O-N 3.08Å
489	D	89.1	Confident	85.9	Confident	29 Å²	29	58 Å²	58	16%	0.155	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-46	175.6	-60.4	-61.9	0	0	0	111	R302 K482 F485 S486 R491 A492 Y493	R302-D489 IonicContact NH2-OD2 2.58Å; K482-D489 VanDerWaalsContact CE-OD2 3.31Å; K482-D489 WeakPolarHBondContact CE-OD2 3.29Å; K482-D489 IonicContact NZ-OD1 3.92Å; K482-D489 PolarHBondContact NZ-OD1 2.86Å; K482-D489 IonicContact NZ-OD2 2.64Å; K482-D489 PolarHBondContact NZ-OD2 2.87Å; F485-D489 HydrophobicContact CB-CB 4.12Å; F485-D489 HydrophobicContact CD1-CB 4.23Å; S486-D489 WeakPolarHBondContact CB-OD2 3.31Å; S486-D489 PolarHBondContact N-OD2 3.33Å; S486-D489 WeakPolarHBondContact O-CB 3.47Å; S486-D489 PolarHBondContact O-N 3.46Å; S486-D489 VanDerWaalsContact OG-CG 3.27Å; S486-D489 PolarHBondContact OG-N 3.31Å; S486-D489 PolarHBondContact OG-OD2 2.9Å; D489-R491 VanDerWaalsContact C-N 3.29Å; D489-R491 PolarHBondContact O-N 3.5Å; D489-A492 PolarHBondContact O-N 3.18Å; D489-A492 VanDerWaalsContact O-N 3.14Å; D489-Y493 VanDerWaalsContact O-CD2 3.26Å; D489-Y493 WeakPolarHBondContact O-CD2 3.24Å; D489-Y493 PolarHBondContact O-N 2.89Å; D489-Y493 VanDerWaalsContact O-N 3.14Å
490	M	89.9	Confident	84.8	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-54.5	-47.2	178.6	-62.5	-63.1	-81.1	0	0	111.2	L473 F485 S486 E487 G494 V495 L497 T500 L509 Y520	L473-M490 HydrophobicContact CD2-CE 4.28Å; L473-M490 HydrophobicContact CD2-SD 3.48Å; L473-M490 WeakPolarHBondContact CD2-SD 3.3Å; F485-M490 HydrophobicContact CB-SD 4.08Å; S486-M490 WeakPolarHBondContact O-CG 3.25Å; S486-M490 PolarHBondContact O-N 2.88Å; E487-M490 PolarHBondContact O-N 3.04Å; M490-G494 PolarHBondContact O-N 2.82Å; M490-V495 HydrophobicContact CB-CB 4.41Å; M490-V495 HydrophobicContact CE-CB 4.28Å; M490-V495 HydrophobicContact CE-CG1 3.78Å; M490-V495 WeakPolarHBondContact O-CB 3.43Å; M490-V495 PolarHBondContact O-N 3.42Å; M490-L497 HydrophobicContact CB-CD2 3.92Å; M490-L497 HydrophobicContact CG-CD2 4.24Å; M490-T500 HydrophobicContact CE-CG2 4.34Å; M490-L509 HydrophobicContact CE-CD1 3.61Å; M490-Y520 HydrophobicContact CE-CD1 4.05Å; M490-Y520 HydrophobicContact CE-CD2 4.47Å; M490-Y520 HydrophobicContact CE-CG 3.96Å; M490-Y520 HydrophobicContact CG-CD2 3.76Å; M490-Y520 HydrophobicContact CG-CE2 4.27Å; M490-Y520 HydrophobicContact CG-CG 4.13Å; M490-Y520 HydrophobicContact SD-CD2 4.34Å; M490-Y520 HydrophobicContact SD-CG 4.12Å
491	R	89.6	Confident	83.7	Confident	154 Å²	154	57.6 Å²	57.6	58%	0.581	31%	0.308	S	S	*	.	H	α-helix	trans	-68.2	-40	177.8	-66	178	-162.8	157	11.8	112.4	E487 Q488 D489 Y493 G494	E487-R491 WeakPolarHBondContact O-CG 3.44Å; E487-R491 PolarHBondContact O-N 2.96Å; E487-R491 VanDerWaalsContact O-N 3.16Å; E487-R491 IonicContact OE2-NH2 3.73Å; E487-R491 PolarHBondContact OE2-NH2 3.07Å; Q488-R491 PolarHBondContact O-N 3.45Å; D489-R491 VanDerWaalsContact C-N 3.29Å; D489-R491 PolarHBondContact O-N 3.5Å; R491-Y493 PolarHBondContact O-N 2.9Å; R491-G494 PolarHBondContact O-N 3.48Å
492	A	88.6	Confident	82.5	Confident	81 Å²	81	54.8 Å²	54.8	67%	0.669	30%	0.303	S	S	*	.	H	α-helix	trans	-59.9	-33.1	179.9	0	0	0	0	0	112.7	Q488 D489	Q488-A492 WeakPolarHBondContact O-CB 3.4Å; Q488-A492 PolarHBondContact O-N 3.08Å; D489-A492 PolarHBondContact O-N 3.18Å; D489-A492 VanDerWaalsContact O-N 3.14Å
493	Y	89.2	Confident	81.6	Confident	40 Å²	40	53.2 Å²	53.2	16%	0.157	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	6.9	176.6	-68	-73.4	0	0	0	114.2	R472 L473 Y476 D489 R491	R472-Y493 HydrophobicContact CG-CD1 4.26Å; L473-Y493 HydrophobicContact CB-CG 4.37Å; L473-Y493 HydrophobicContact CD1-CD2 3.31Å; L473-Y493 HydrophobicContact CD1-CE2 4.08Å; L473-Y493 HydrophobicContact CD1-CG 3.83Å; Y476-Y493 HydrophobicContact CD2-CD1 4.22Å; Y476-Y493 AromaticContact CD2-CE1 3.8Å; Y476-Y493 HydrophobicContact CD2-CE1 3.8Å; Y476-Y493 AromaticContact CG-CE1 3.89Å; Y476-Y493 HydrophobicContact CG-CE1 3.89Å; D489-Y493 VanDerWaalsContact O-CD2 3.26Å; D489-Y493 WeakPolarHBondContact O-CD2 3.24Å; D489-Y493 PolarHBondContact O-N 2.89Å; D489-Y493 VanDerWaalsContact O-N 3.14Å; R491-Y493 PolarHBondContact O-N 2.9Å
494	G	85.1	Confident	81.2	Confident	46 Å²	46	51.1 Å²	51.1	47%	0.474	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	22.3	174.2	0	0	0	0	0	114.7	S469 M490 R491	S469-G494 WeakPolarHBondContact CB-O 3.43Å; S469-G494 PolarHBondContact OG-O 3.21Å; M490-G494 PolarHBondContact O-N 2.82Å; R491-G494 PolarHBondContact O-N 3.48Å
495	V	86.9	Confident	80.6	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.018	29%	0.288	C	S	.	.			trans	-85.2	118.8	174.4	-175	0	0	0	0	109.4	L466 L470 L473 M490 L497 T500	L466-V495 HydrophobicContact CD1-CG1 4.15Å; L470-V495 HydrophobicContact CD2-CG1 4.05Å; L470-V495 HydrophobicContact CD2-CG2 4.11Å; L473-V495 HydrophobicContact CB-CG2 4.43Å; L473-V495 HydrophobicContact CD2-CG2 4.3Å; M490-V495 HydrophobicContact CB-CB 4.41Å; M490-V495 HydrophobicContact CE-CB 4.28Å; M490-V495 HydrophobicContact CE-CG1 3.78Å; M490-V495 WeakPolarHBondContact O-CB 3.43Å; M490-V495 PolarHBondContact O-N 3.42Å; V495-L497 PolarHBondContact O-N 2.91Å; V495-T500 HydrophobicContact CG1-CG2 3.51Å
496	D	80.5	Confident	79.8	Confident	102 Å²	102	54 Å²	54	55%	0.545	31%	0.31	S	S	.	.			trans	-81.8	112.5	178.1	-175.5	33	0	0	0	110.5	P498 S499 T500	D496-P498 VanDerWaalsContact OD1-CD 3.25Å; D496-P498 WeakPolarHBondContact OD1-CD 3.49Å; D496-S499 WeakPolarHBondContact O-CB 3.39Å; D496-S499 PolarHBondContact O-N 2.64Å; D496-S499 PolarHBondContact O-OG 3.49Å; D496-T500 PolarHBondContact O-N 2.99Å
497	L	78.4	Confident	78.9	Confident	28 Å²	28	52.9 Å²	52.9	15%	0.147	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-56.6	-42.4	-170.9	-66.5	170.6	0	0	0	114	E487 M490 V495 S499 T500 Y520	E487-L497 HydrophobicContact CB-CD1 4.45Å; E487-L497 HydrophobicContact CG-CD1 4.29Å; M490-L497 HydrophobicContact CB-CD2 3.92Å; M490-L497 HydrophobicContact CG-CD2 4.24Å; V495-L497 PolarHBondContact O-N 2.91Å; L497-S499 VanDerWaalsContact C-N 3.27Å; L497-S499 PolarHBondContact O-N 3.05Å; L497-T500 WeakPolarHBondContact O-CB 3.33Å; L497-T500 PolarHBondContact O-N 3.34Å; L497-T500 VanDerWaalsContact O-N 3.07Å; L497-T500 PolarHBondContact O-OG1 3.47Å; L497-Y520 HydrophobicContact CD2-CE2 4.2Å
498	P	72.9	Confident	78.9	Confident	95 Å²	95	49.9 Å²	49.9	62%	0.617	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-60.9	-35.3	174.8	-22.8	35.2	0	0	0	113.1	D496 T500 Q501	D496-P498 VanDerWaalsContact OD1-CD 3.25Å; D496-P498 WeakPolarHBondContact OD1-CD 3.49Å; P498-T500 PolarHBondContact O-N 3.1Å; P498-Q501 PolarHBondContact O-N 3.49Å
499	S	65	Low	78.9	Confident	45 Å²	45	43.1 Å²	43.1	32%	0.315	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-68.7	-15.9	177.4	78.5	0	0	0	0	113.4	D496 L497 Q501	D496-S499 WeakPolarHBondContact O-CB 3.39Å; D496-S499 PolarHBondContact O-N 2.64Å; D496-S499 PolarHBondContact O-OG 3.49Å; L497-S499 VanDerWaalsContact C-N 3.27Å; L497-S499 PolarHBondContact O-N 3.05Å; S499-Q501 VanDerWaalsContact C-N 3.33Å
500	T	67.8	Low	78.8	Confident	10 Å²	10	43.6 Å²	43.6	6%	0.061	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-79.9	-14.9	175	69.4	0	0	0	0	113.4	L466 M490 V495 D496 L497 P498 G502 G505 T506 L509	L466-T500 HydrophobicContact CD1-CG2 4.5Å; M490-T500 HydrophobicContact CE-CG2 4.34Å; V495-T500 HydrophobicContact CG1-CG2 3.51Å; D496-T500 PolarHBondContact O-N 2.99Å; L497-T500 WeakPolarHBondContact O-CB 3.33Å; L497-T500 PolarHBondContact O-N 3.34Å; L497-T500 VanDerWaalsContact O-N 3.07Å; L497-T500 PolarHBondContact O-OG1 3.47Å; P498-T500 PolarHBondContact O-N 3.1Å; T500-G502 VanDerWaalsContact C-N 3.33Å; T500-G505 CarbonylContact O-C 3.58Å; T500-T506 VanDerWaalsContact O-CG2 3.26Å; T500-T506 WeakPolarHBondContact O-CG2 3.43Å; T500-T506 PolarHBondContact O-N 2.98Å; T500-T506 VanDerWaalsContact O-N 3.13Å; T500-L509 HydrophobicContact CG2-CD1 4.27Å
501	Q	64.8	Low	78.6	Confident	137 Å²	137	48.3 Å²	48.3	64%	0.64	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-89.1	8.9	-179	-61.9	-141.9	-6.3	0	0	114.2	P498 S499 T506	P498-Q501 PolarHBondContact O-N 3.49Å; S499-Q501 VanDerWaalsContact C-N 3.33Å; Q501-T506 VanDerWaalsContact C-CG2 3.42Å
502	G	61.8	Low	78.3	Confident	33 Å²	33	43.2 Å²	43.2	34%	0.34	26%	0.259	S	S	.	.	S	Bend	trans	-149.3	162.1	171.5	0	0	0	0	0	112.9	T500	T500-G502 VanDerWaalsContact C-N 3.33Å
503	G	71.3	Confident	78	Confident	11 Å²	11	45.3 Å²	45.3	11%	0.113	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	64	-133.4	176.1	0	0	0	0	0	114.5	R442 G505 T506	R442-G503 CarbonylContact O-C 3.44Å; R442-G503 VanDerWaalsContact O-C 3.28Å; G503-G505 VanDerWaalsContact C-N 3.29Å; G503-G505 PolarHBondContact O-N 3.35Å; G503-T506 PolarHBondContact O-OG1 3.38Å
504	L	78.2	Confident	77.4	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.6	-33.9	-177.2	-179.5	66.4	0	0	0	113.2	C439 R442 A443 L466 L467 G507 V508	C439-L504 HydrophobicContact CB-CD1 4.15Å; C439-L504 WeakPolarHBondContact O-CD1 3.27Å; R442-L504 HydrophobicContact CB-CD1 4.19Å; A443-L504 HydrophobicContact CB-CB 4.26Å; A443-L504 HydrophobicContact CB-CD1 4.44Å; L466-L504 HydrophobicContact CD2-CB 4.4Å; L467-L504 HydrophobicContact CB-CD2 3.94Å; L467-L504 HydrophobicContact CD1-CD2 3.77Å; L467-L504 HydrophobicContact CG-CD2 4.46Å; L504-G507 PolarHBondContact O-N 3.27Å; L504-G507 VanDerWaalsContact O-N 3.12Å; L504-V508 HydrophobicContact CD1-CG1 3.87Å; L504-V508 HydrophobicContact CG-CG1 4.47Å; L504-V508 WeakPolarHBondContact O-CG2 3.27Å; L504-V508 PolarHBondContact O-N 3.2Å
505	G	77.1	Confident	76.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-50.8	-172.6	0	0	0	0	0	113.7	T500 G503 G507 V508 L509	T500-G505 CarbonylContact O-C 3.58Å; G503-G505 VanDerWaalsContact C-N 3.29Å; G503-G505 PolarHBondContact O-N 3.35Å; G505-G507 PolarHBondContact O-N 3.03Å; G505-V508 PolarHBondContact O-N 3.5Å; G505-L509 WeakPolarHBondContact O-CB 3.44Å; G505-L509 PolarHBondContact O-N 3.36Å
506	T	72.8	Confident	75.9	Confident	76 Å²	76	52.5 Å²	52.5	47%	0.466	30%	0.301	S	S	.	.	H	α-helix	trans	-65.7	-18.7	176	56.1	0	0	0	0	112.5	T500 Q501 G503	T500-T506 VanDerWaalsContact O-CG2 3.26Å; T500-T506 WeakPolarHBondContact O-CG2 3.43Å; T500-T506 PolarHBondContact O-N 2.98Å; T500-T506 VanDerWaalsContact O-N 3.13Å; Q501-T506 VanDerWaalsContact C-CG2 3.42Å; G503-T506 PolarHBondContact O-OG1 3.38Å
507	G	72.3	Confident	75.9	Confident	2 Å²	2	48.8 Å²	48.8	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-81.1	-33.2	-179.5	0	0	0	0	0	114.8	R442 L504 G505 T523	R442-G507 VanDerWaalsContact NH1-CA 3.31Å; R442-G507 PolarHBondContact NH1-O 3.29Å; L504-G507 PolarHBondContact O-N 3.27Å; L504-G507 VanDerWaalsContact O-N 3.12Å; G505-G507 PolarHBondContact O-N 3.03Å; G507-T523 PolarHBondContact O-OG1 3.17Å
508	V	86.9	Confident	76.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-115.6	-14.7	-171	-56.2	0	0	0	0	113.9	F438 L470 L504 G505 F522 T523 V527 L531	F438-V508 HydrophobicContact CE1-CG1 4.21Å; L470-V508 HydrophobicContact CD1-CG2 3.82Å; L504-V508 HydrophobicContact CD1-CG1 3.87Å; L504-V508 HydrophobicContact CG-CG1 4.47Å; L504-V508 WeakPolarHBondContact O-CG2 3.27Å; L504-V508 PolarHBondContact O-N 3.2Å; G505-V508 PolarHBondContact O-N 3.5Å; V508-F522 CarbonylContact O-C 3.45Å; V508-F522 WeakPolarHBondContact O-CA 3.26Å; V508-T523 VanDerWaalsContact C-OG1 3.26Å; V508-T523 WeakPolarHBondContact CA-OG1 3.42Å; V508-T523 PolarHBondContact O-N 2.99Å; V508-T523 PolarHBondContact O-OG1 3.16Å; V508-T523 VanDerWaalsContact O-OG1 3.14Å; V508-V527 HydrophobicContact CB-CG1 3.92Å; V508-V527 HydrophobicContact CG1-CG1 4.18Å; V508-L531 HydrophobicContact CB-CD1 4.39Å; V508-L531 HydrophobicContact CG2-CD1 4.19Å
509	L	88.9	Confident	77.1	Confident	14 Å²	14	45.1 Å²	45.1	7%	0.073	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140.5	174.6	-67.3	173	0	0	0	110.9	L470 M490 T500 G505 R521 F522	L470-L509 HydrophobicContact CD2-CD1 3.64Å; L470-L509 HydrophobicContact CD2-CG 4.27Å; M490-L509 HydrophobicContact CE-CD1 3.61Å; T500-L509 HydrophobicContact CG2-CD1 4.27Å; G505-L509 WeakPolarHBondContact O-CB 3.44Å; G505-L509 PolarHBondContact O-N 3.36Å; L509-R521 CarbonylContact C-O 3.56Å; L509-R521 WeakPolarHBondContact CA-O 3.26Å; L509-F522 HydrophobicContact CD2-CD1 3.77Å; L509-F522 HydrophobicContact CD2-CE1 3.81Å; L509-F522 HydrophobicContact CD2-CG 4.16Å; L509-F522 HydrophobicContact CD2-CZ 4.24Å
510	I	86.6	Confident	78.2	Confident	39 Å²	39	43.3 Å²	43.3	20%	0.2	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.3	167	-62.5	171.8	0	0	0	107.2	P155 E512 Y520 R521 T523	P155-I510 HydrophobicContact CG-CD1 4.44Å; I510-E512 HydrophobicContact CG2-CG 4.23Å; I510-Y520 WeakPolarHBondContact O-CA 3.42Å; I510-R521 HydrophobicContact CB-CG 4.05Å; I510-R521 PolarHBondContact N-O 3.48Å; I510-R521 PolarHBondContact O-N 2.72Å; I510-T523 HydrophobicContact CD1-CG2 4.26Å
511	R	86.5	Confident	79.3	Confident	98 Å²	98	46 Å²	46	37%	0.37	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	121.4	175.6	-178.2	173.8	-178	-93.3	-7.4	108.2	E513 V518 Y520	R511-E513 VanDerWaalsContact CZ-CD 3.47Å; R511-E513 IonicContact CZ-OE1 2.82Å; R511-E513 IonicContact NH1-OE1 3.75Å; R511-E513 PolarHBondContact NH1-OE1 3.34Å; R511-E513 IonicContact NH1-OE2 3.26Å; R511-E513 PolarHBondContact NH1-OE2 3.42Å; R511-E513 VanDerWaalsContact NH1-OE2 3.09Å; R511-E513 IonicContact NH2-OE1 3.89Å; R511-E513 PolarHBondContact NH2-OE1 3.08Å; R511-V518 HydrophobicContact CG-CG1 4.07Å; R511-Y520 HydrophobicContact CB-CD1 4.24Å; R511-Y520 HydrophobicContact CB-CE1 4.12Å; R511-Y520 HydrophobicContact CG-CD1 4.32Å; R511-Y520 HydrophobicContact CG-CE1 3.84Å; R511-Y520 PolarHBondContact NE-OH 3.01Å
512	E	82.2	Confident	80.6	Confident	47 Å²	47	39.8 Å²	39.8	22%	0.22	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137.6	175.7	-67.5	-172.8	161.8	0	0	109.7	W257 I510 V518 A519 R521	W257-E512 HydrophobicContact CH2-CB 4.13Å; W257-E512 HydrophobicContact CZ2-CB 3.88Å; W257-E512 PolarHBondContact NE1-OE2 3.07Å; I510-E512 HydrophobicContact CG2-CG 4.23Å; E512-V518 WeakPolarHBondContact O-CA 3.49Å; E512-A519 PolarHBondContact N-O 3.25Å; E512-A519 PolarHBondContact O-N 3.43Å; E512-R521 IonicContact OE1-CZ 2.91Å; E512-R521 IonicContact OE1-NE 2.62Å; E512-R521 PolarHBondContact OE1-NE 3.3Å; E512-R521 IonicContact OE1-NH2 3.56Å; E512-R521 PolarHBondContact OE1-NH2 3.35Å; E512-R521 IonicContact OE2-NE 2.77Å
513	E	82.1	Confident	81.9	Confident	125 Å²	125	38.7 Å²	38.7	58%	0.584	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126	128	-178	-62.7	-172.2	116.5	0	0	109.2	R511 V518	R511-E513 VanDerWaalsContact CZ-CD 3.47Å; R511-E513 IonicContact CZ-OE1 2.82Å; R511-E513 IonicContact NH1-OE1 3.75Å; R511-E513 PolarHBondContact NH1-OE1 3.34Å; R511-E513 IonicContact NH1-OE2 3.26Å; R511-E513 PolarHBondContact NH1-OE2 3.42Å; R511-E513 VanDerWaalsContact NH1-OE2 3.09Å; R511-E513 IonicContact NH2-OE1 3.89Å; R511-E513 PolarHBondContact NH2-OE1 3.08Å; E513-V518 HydrophobicContact CG-CG1 4.34Å; E513-V518 HydrophobicContact CG-CG2 4.21Å
514	S	76.4	Confident	82.9	Confident	17 Å²	17	38.8 Å²	38.8	12%	0.119	21%	0.211	C	C	.	.			trans	-111.8	165.6	163.4	73.3	0	0	0	0	108.7	E258 S516 C517	E258-S514 WeakPolarHBondContact OE1-CB 3.27Å; S514-S516 PolarHBondContact O-N 3.35Å; S514-S516 PolarHBondContact OG-N 3.2Å; S514-S516 PolarHBondContact OG-OG 3.43Å; S514-C517 PolarHBondContact N-O 3.42Å; S514-C517 PolarHBondContact O-N 3.43Å; S514-C517 PolarHBondContact OG-N 2.96Å; S514-C517 PolarHBondContact OG-O 2.83Å; S514-C517 VanDerWaalsContact OG-O 3.12Å; S514-C517 PolarHBondContact OG-SG 3.36Å
515	P	71.2	Confident	83.5	Confident	138 Å²	138	39.6 Å²	39.6	90%	0.896	22%	0.215	S	C	*	.	S	Bend	trans	-56.6	-24	174.7	-25.1	34.9	0	0	0	113.7
516	S	70.4	Confident	84.4	Confident	86 Å²	86	39.7 Å²	39.7	60%	0.601	22%	0.216	S	C	*	.	S	Bend	trans	-102.3	-26.3	-175.6	46.3	0	0	0	0	114.9	S514	S514-S516 PolarHBondContact O-N 3.35Å; S514-S516 PolarHBondContact OG-N 3.2Å; S514-S516 PolarHBondContact OG-OG 3.43Å
517	C	81.1	Confident	85.4	Confident	24 Å²	24	36.1 Å²	36.1	16%	0.162	19%	0.194	C	C	.	.			trans	-158.8	159.9	-174.1	63.4	0	0	0	0	114.2	W257 T261 S514	W257-C517 WeakPolarHBondContact CZ3-SG 3.49Å; T261-C517 HydrophobicContact CG2-CB 3.52Å; T261-C517 VanDerWaalsContact CG2-SG 3.51Å; S514-C517 PolarHBondContact N-O 3.42Å; S514-C517 PolarHBondContact O-N 3.43Å; S514-C517 PolarHBondContact OG-N 2.96Å; S514-C517 PolarHBondContact OG-O 2.83Å; S514-C517 VanDerWaalsContact OG-O 3.12Å; S514-C517 PolarHBondContact OG-SG 3.36Å
518	V	86.6	Confident	86.6	Confident	38 Å²	38	36.1 Å²	36.1	23%	0.23	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.1	175.3	-178	0	0	0	0	109.1	R511 E512 E513 Y520	R511-V518 HydrophobicContact CG-CG1 4.07Å; E512-V518 WeakPolarHBondContact O-CA 3.49Å; E513-V518 HydrophobicContact CG-CG1 4.34Å; E513-V518 HydrophobicContact CG-CG2 4.21Å; V518-Y520 HydrophobicContact CG1-CE2 3.91Å
519	A	88.2	Confident	87	Confident	7 Å²	7	36.2 Å²	36.2	6%	0.058	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	151.8	177.7	0	0	0	0	0	111.5	W257 T484 F485 E512	W257-A519 HydrophobicContact CD2-CB 4.22Å; W257-A519 HydrophobicContact CE3-CB 3.51Å; W257-A519 HydrophobicContact CZ3-CB 3.67Å; T484-A519 HydrophobicContact CG2-CB 3.65Å; F485-A519 WeakPolarHBondContact O-CA 3.5Å; E512-A519 PolarHBondContact N-O 3.25Å; E512-A519 PolarHBondContact O-N 3.43Å
520	Y	89.5	Confident	87.4	Confident	8 Å²	8	35.6 Å²	35.6	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	135.7	176.2	-61.2	-96.7	0	0	0	108.8	F485 E487 M490 L497 I510 R511 V518	F485-Y520 WeakPolarHBondContact CD2-O 3.5Å; F485-Y520 PolarHBondContact N-O 3.06Å; F485-Y520 PolarHBondContact O-N 3.26Å; E487-Y520 HydrophobicContact CG-CE2 3.8Å; M490-Y520 HydrophobicContact CE-CD1 4.05Å; M490-Y520 HydrophobicContact CE-CD2 4.47Å; M490-Y520 HydrophobicContact CE-CG 3.96Å; M490-Y520 HydrophobicContact CG-CD2 3.76Å; M490-Y520 HydrophobicContact CG-CE2 4.27Å; M490-Y520 HydrophobicContact CG-CG 4.13Å; M490-Y520 HydrophobicContact SD-CD2 4.34Å; M490-Y520 HydrophobicContact SD-CG 4.12Å; L497-Y520 HydrophobicContact CD2-CE2 4.2Å; I510-Y520 WeakPolarHBondContact O-CA 3.42Å; R511-Y520 HydrophobicContact CB-CD1 4.24Å; R511-Y520 HydrophobicContact CB-CE1 4.12Å; R511-Y520 HydrophobicContact CG-CD1 4.32Å; R511-Y520 HydrophobicContact CG-CE1 3.84Å; R511-Y520 PolarHBondContact NE-OH 3.01Å; V518-Y520 HydrophobicContact CG1-CE2 3.91Å
521	R	90.4	Very high	87.9	Confident	65 Å²	65	33.7 Å²	33.7	25%	0.245	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152.1	173.1	60.5	-176.5	176.6	81	-1	109.9	L509 I510 E512	L509-R521 CarbonylContact C-O 3.56Å; L509-R521 WeakPolarHBondContact CA-O 3.26Å; I510-R521 HydrophobicContact CB-CG 4.05Å; I510-R521 PolarHBondContact N-O 3.48Å; I510-R521 PolarHBondContact O-N 2.72Å; E512-R521 IonicContact OE1-CZ 2.91Å; E512-R521 IonicContact OE1-NE 2.62Å; E512-R521 PolarHBondContact OE1-NE 3.3Å; E512-R521 IonicContact OE1-NH2 3.56Å; E512-R521 PolarHBondContact OE1-NH2 3.35Å; E512-R521 IonicContact OE2-NE 2.77Å
522	F	92.4	Very high	88.4	Confident	8 Å²	8	29 Å²	29	4%	0.035	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	149.7	170	-68.8	-82.4	0	0	0	109.8	L473 A474 F485 V508 L509 H524 V527 Q528 L531	L473-F522 HydrophobicContact CD2-CE2 4.4Å; L473-F522 HydrophobicContact CD2-CZ 4.12Å; L473-F522 HydrophobicContact CG-CZ 4.45Å; A474-F522 HydrophobicContact CB-CE1 4.43Å; A474-F522 HydrophobicContact CB-CE2 4.05Å; A474-F522 HydrophobicContact CB-CZ 3.73Å; F485-F522 HydrophobicContact CD2-CE2 4.41Å; F485-F522 AromaticContact CE2-CD2 3.89Å; F485-F522 HydrophobicContact CE2-CD2 3.89Å; F485-F522 AromaticContact CE2-CE2 3.64Å; F485-F522 HydrophobicContact CE2-CE2 3.64Å; F485-F522 HydrophobicContact CZ-CE2 4.13Å; V508-F522 CarbonylContact O-C 3.45Å; V508-F522 WeakPolarHBondContact O-CA 3.26Å; L509-F522 HydrophobicContact CD2-CD1 3.77Å; L509-F522 HydrophobicContact CD2-CE1 3.81Å; L509-F522 HydrophobicContact CD2-CG 4.16Å; L509-F522 HydrophobicContact CD2-CZ 4.24Å; F522-H524 PolarHBondContact O-N 2.9Å; F522-V527 HydrophobicContact CD1-CG1 4.44Å; F522-Q528 HydrophobicContact CB-CB 4.06Å; F522-Q528 HydrophobicContact CD2-CB 3.55Å; F522-Q528 HydrophobicContact CD2-CG 3.54Å; F522-Q528 HydrophobicContact CE2-CB 4.11Å; F522-Q528 HydrophobicContact CE2-CG 3.67Å; F522-Q528 HydrophobicContact CG-CB 3.78Å; F522-Q528 HydrophobicContact CG-CG 4.26Å; F522-Q528 HydrophobicContact CZ-CG 4.47Å; F522-L531 HydrophobicContact CD1-CD1 3.94Å; F522-L531 HydrophobicContact CE1-CD1 3.57Å
523	T	89.3	Confident	89.1	Confident	9 Å²	9	26.8 Å²	26.8	6%	0.055	15%	0.153	C	C	.	.	S	Bend	trans	-49.3	-39.3	179.9	-54.7	0	0	0	0	112	W409 G507 V508 I510	W409-T523 HydrophobicContact CH2-CG2 4.42Å; W409-T523 HydrophobicContact CZ3-CG2 3.77Å; G507-T523 PolarHBondContact O-OG1 3.17Å; V508-T523 VanDerWaalsContact C-OG1 3.26Å; V508-T523 WeakPolarHBondContact CA-OG1 3.42Å; V508-T523 PolarHBondContact O-N 2.99Å; V508-T523 PolarHBondContact O-OG1 3.16Å; V508-T523 VanDerWaalsContact O-OG1 3.14Å; I510-T523 HydrophobicContact CD1-CG2 4.26Å
524	H	91.2	Very high	89.7	Confident	13 Å²	13	21 Å²	21	6%	0.06	13%	0.126	C	C	.	.	S	Bend	trans	-151.8	157.9	172.5	-170.1	-102.1	0	0	0	109.8	A224 I410 F522 T526 V527 Q528	A224-H524 VanDerWaalsContact C-NE2 3.29Å; A224-H524 PolarHBondContact O-NE2 3.35Å; I410-H524 HydrophobicContact CD1-CB 4.21Å; F522-H524 PolarHBondContact O-N 2.9Å; H524-T526 PolarHBondContact ND1-N 3.49Å; H524-T526 PolarHBondContact ND1-OG1 3Å; H524-T526 PolarHBondContact O-N 3.26Å; H524-V527 HydrophobicContact CB-CG2 4.32Å; H524-V527 WeakPolarHBondContact O-CB 3.5Å; H524-V527 PolarHBondContact O-N 3.35Å; H524-Q528 PolarHBondContact O-N 3.1Å
525	L	91.8	Very high	90.5	Very high	18 Å²	18	21.1 Å²	21.1	9%	0.094	12%	0.124	C	C	.	.	H	α-helix	trans	-54.4	-41.2	176.9	177.2	58.2	0	0	0	112.2	H180 A224 L478 Y483 V527 Q528 E529	H180-L525 WeakPolarHBondContact NE2-CD2 3.44Å; A224-L525 HydrophobicContact CB-CB 4.42Å; L478-L525 HydrophobicContact CD2-CD1 3.93Å; Y483-L525 HydrophobicContact CD1-CD1 3.71Å; Y483-L525 HydrophobicContact CE1-CD1 3.55Å; L525-V527 PolarHBondContact O-N 3.49Å; L525-Q528 WeakPolarHBondContact O-CA 3.18Å; L525-Q528 VanDerWaalsContact O-CB 3.26Å; L525-Q528 WeakPolarHBondContact O-CB 3.49Å; L525-Q528 PolarHBondContact O-N 3.41Å; L525-E529 HydrophobicContact CD1-CG 4.33Å; L525-E529 HydrophobicContact CG-CG 4.35Å; L525-E529 WeakPolarHBondContact O-CG 3.43Å; L525-E529 PolarHBondContact O-N 3.09Å
526	T	94.7	Very high	91.6	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.012	8%	0.081	C	C	.	.	H	α-helix	trans	-61.8	-27.5	177.3	54.9	0	0	0	0	113.9	L182 I407 Y435 H524 E529 F530 F585	L182-T526 HydrophobicContact CD2-CG2 4.46Å; I407-T526 HydrophobicContact CD1-CG2 4.3Å; Y435-T526 WeakPolarHBondContact CE1-OG1 3.46Å; Y435-T526 VanDerWaalsContact CZ-OG1 3.27Å; Y435-T526 WeakPolarHBondContact OH-CB 3.16Å; Y435-T526 PolarHBondContact OH-OG1 3.19Å; H524-T526 PolarHBondContact ND1-N 3.49Å; H524-T526 PolarHBondContact ND1-OG1 3Å; H524-T526 PolarHBondContact O-N 3.26Å; T526-E529 WeakPolarHBondContact CA-OE2 3.37Å; T526-F530 VanDerWaalsContact O-CB 3.3Å; T526-F530 WeakPolarHBondContact O-CB 3.43Å; T526-F530 PolarHBondContact O-N 3.42Å; T526-F585 WeakPolarHBondContact O-CE2 3.47Å
527	V	95.3	Very high	92.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-70.9	-40.8	173.2	179.8	0	0	0	0	110.1	I410 Y435 F438 V508 F522 H524 L525 F530 L531	I410-V527 HydrophobicContact CD1-CG2 4.02Å; Y435-V527 HydrophobicContact CD1-CG2 4.16Å; Y435-V527 HydrophobicContact CE1-CG2 3.8Å; F438-V527 HydrophobicContact CE1-CG2 4.2Å; V508-V527 HydrophobicContact CB-CG1 3.92Å; V508-V527 HydrophobicContact CG1-CG1 4.18Å; F522-V527 HydrophobicContact CD1-CG1 4.44Å; H524-V527 HydrophobicContact CB-CG2 4.32Å; H524-V527 WeakPolarHBondContact O-CB 3.5Å; H524-V527 PolarHBondContact O-N 3.35Å; L525-V527 PolarHBondContact O-N 3.49Å; V527-F530 PolarHBondContact O-N 3.13Å; V527-L531 HydrophobicContact CG1-CD1 4.06Å; V527-L531 HydrophobicContact CG1-CG 4.48Å; V527-L531 WeakPolarHBondContact O-CB 3.29Å; V527-L531 VanDerWaalsContact O-CG 3.29Å; V527-L531 WeakPolarHBondContact O-CG 3.28Å; V527-L531 PolarHBondContact O-N 3.24Å
528	Q	95.9	Very high	92.9	Very high	3 Å²	3	11.7 Å²	11.7	1%	0.014	6%	0.057	C	C	.	.	H	α-helix	trans	-60.5	-48.4	172.6	-173.7	175.9	-15.2	0	0	110.6	A474 L478 K482 F522 H524 L525 F530 L531 A532	A474-Q528 HydrophobicContact CB-CG 3.72Å; A474-Q528 WeakPolarHBondContact CB-O 3.36Å; A474-Q528 PolarHBondContact O-NE2 3.48Å; L478-Q528 HydrophobicContact CD1-CG 4.5Å; L478-Q528 HydrophobicContact CD2-CG 4.16Å; L478-Q528 HydrophobicContact CG-CG 4.1Å; K482-Q528 PolarHBondContact O-NE2 3Å; F522-Q528 HydrophobicContact CB-CB 4.06Å; F522-Q528 HydrophobicContact CD2-CB 3.55Å; F522-Q528 HydrophobicContact CD2-CG 3.54Å; F522-Q528 HydrophobicContact CE2-CB 4.11Å; F522-Q528 HydrophobicContact CE2-CG 3.67Å; F522-Q528 HydrophobicContact CG-CB 3.78Å; F522-Q528 HydrophobicContact CG-CG 4.26Å; F522-Q528 HydrophobicContact CZ-CG 4.47Å; H524-Q528 PolarHBondContact O-N 3.1Å; L525-Q528 WeakPolarHBondContact O-CA 3.18Å; L525-Q528 VanDerWaalsContact O-CB 3.26Å; L525-Q528 WeakPolarHBondContact O-CB 3.49Å; L525-Q528 PolarHBondContact O-N 3.41Å; Q528-F530 PolarHBondContact O-N 3.36Å; Q528-L531 PolarHBondContact O-N 3.34Å; Q528-A532 VanDerWaalsContact O-CB 3.28Å; Q528-A532 WeakPolarHBondContact O-CB 3.39Å; Q528-A532 PolarHBondContact O-N 2.83Å
529	E	96.9	Very high	92.9	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-60.1	-42.5	178.6	-65.6	173.6	123.1	0	0	112.7	H180 L478 L525 T526 A532 A533 V581 F585	H180-E529 IonicContact CD2-OE1 2.71Å; H180-E529 IonicContact CE1-OE1 2.7Å; H180-E529 PolarHBondContact CE1-OE1 3.28Å; H180-E529 IonicContact CE1-OE2 3.62Å; H180-E529 IonicContact NE2-OE1 3.55Å; H180-E529 PolarHBondContact NE2-OE1 2.78Å; H180-E529 IonicContact NE2-OE2 3.17Å; L478-E529 HydrophobicContact CD1-CB 4.49Å; L478-E529 HydrophobicContact CD1-CG 4.11Å; L478-E529 HydrophobicContact CD2-CG 3.97Å; L525-E529 HydrophobicContact CD1-CG 4.33Å; L525-E529 HydrophobicContact CG-CG 4.35Å; L525-E529 WeakPolarHBondContact O-CG 3.43Å; L525-E529 PolarHBondContact O-N 3.09Å; T526-E529 WeakPolarHBondContact CA-OE2 3.37Å; E529-A532 PolarHBondContact O-N 3.37Å; E529-A533 WeakPolarHBondContact O-CB 3.32Å; E529-A533 PolarHBondContact O-N 2.9Å; E529-V581 HydrophobicContact CB-CG1 4.49Å; E529-V581 WeakPolarHBondContact OE1-CB 3.23Å; E529-F585 HydrophobicContact CB-CD2 4.09Å; E529-F585 HydrophobicContact CB-CE2 3.99Å
530	F	97.3	Very high	93	Very high	1 Å²	1	11.2 Å²	11.2	0%	0.004	6%	0.055	C	C	.	.	H	α-helix	trans	-64.5	-46.1	176.4	175.6	-103.2	0	0	0	112.7	T432 Y435 S436 C439 T526 V527 Q528 A532 A533 T534 F585 L589 L598	T432-F530 HydrophobicContact CG2-CD2 4.46Å; T432-F530 HydrophobicContact CG2-CE2 3.88Å; Y435-F530 HydrophobicContact CD1-CB 4.41Å; Y435-F530 HydrophobicContact CG-CB 4.31Å; Y435-F530 HydrophobicContact CG-CD2 4.46Å; Y435-F530 HydrophobicContact CG-CG 4.25Å; S436-F530 VanDerWaalsContact N-CZ 3.35Å; S436-F530 WeakPolarHBondContact OG-CZ 3.26Å; C439-F530 HydrophobicContact CB-CE1 4.26Å; T526-F530 VanDerWaalsContact O-CB 3.3Å; T526-F530 WeakPolarHBondContact O-CB 3.43Å; T526-F530 PolarHBondContact O-N 3.42Å; V527-F530 PolarHBondContact O-N 3.13Å; Q528-F530 PolarHBondContact O-N 3.36Å; F530-A532 VanDerWaalsContact C-N 3.32Å; F530-A532 PolarHBondContact O-N 3.35Å; F530-A533 PolarHBondContact O-N 3.4Å; F530-T534 WeakPolarHBondContact O-CB 3.44Å; F530-T534 PolarHBondContact O-N 3.26Å; F530-T534 PolarHBondContact O-OG1 3.23Å; F530-F585 VanDerWaalsContact CA-CD2 3.49Å; F530-F585 HydrophobicContact CB-CD1 4.43Å; F530-F585 HydrophobicContact CB-CD2 3.87Å; F530-F585 HydrophobicContact CB-CE1 4.36Å; F530-F585 HydrophobicContact CB-CE2 3.77Å; F530-F585 HydrophobicContact CB-CG 4.21Å; F530-F585 HydrophobicContact CB-CZ 4.04Å; F530-F585 HydrophobicContact CD2-CB 4.3Å; F530-F585 AromaticContact CD2-CD1 3.68Å; F530-F585 HydrophobicContact CD2-CD1 3.68Å; F530-F585 HydrophobicContact CD2-CD2 4.44Å; F530-F585 HydrophobicContact CD2-CE1 4.02Å; F530-F585 AromaticContact CD2-CG 3.92Å; F530-F585 HydrophobicContact CD2-CG 3.92Å; F530-L589 HydrophobicContact CE2-CD2 4.44Å; F530-L598 HydrophobicContact CZ-CD1 3.97Å
531	L	96.3	Very high	92.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66.6	-36	178.4	-71	175.8	0	0	0	111.8	L467 L470 G471 A474 V508 F522 V527 Q528 T534 Y535	L467-L531 HydrophobicContact CD1-CD2 3.45Å; L467-L531 VanDerWaalsContact CD1-CD2 3.45Å; L470-L531 HydrophobicContact CB-CD1 4.49Å; G471-L531 VanDerWaalsContact CA-O 3.31Å; G471-L531 WeakPolarHBondContact CA-O 3.41Å; A474-L531 HydrophobicContact CB-CB 4.03Å; V508-L531 HydrophobicContact CB-CD1 4.39Å; V508-L531 HydrophobicContact CG2-CD1 4.19Å; F522-L531 HydrophobicContact CD1-CD1 3.94Å; F522-L531 HydrophobicContact CE1-CD1 3.57Å; V527-L531 HydrophobicContact CG1-CD1 4.06Å; V527-L531 HydrophobicContact CG1-CG 4.48Å; V527-L531 WeakPolarHBondContact O-CB 3.29Å; V527-L531 VanDerWaalsContact O-CG 3.29Å; V527-L531 WeakPolarHBondContact O-CG 3.28Å; V527-L531 PolarHBondContact O-N 3.24Å; Q528-L531 PolarHBondContact O-N 3.34Å; L531-T534 PolarHBondContact O-N 3.3Å; L531-Y535 WeakPolarHBondContact O-CB 3.42Å; L531-Y535 PolarHBondContact O-N 2.64Å
532	A	97.3	Very high	92.2	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.1	-47.5	172.1	0	0	0	0	0	111.6	A474 F475 L478 Q528 E529 F530 T534 Y535 Y536 F582	A474-A532 HydrophobicContact CB-CB 4.09Å; F475-A532 HydrophobicContact CB-CB 3.89Å; F475-A532 HydrophobicContact CD2-CB 4.3Å; L478-A532 HydrophobicContact CD1-CB 3.42Å; L478-A532 VanDerWaalsContact CD1-CB 3.42Å; Q528-A532 VanDerWaalsContact O-CB 3.28Å; Q528-A532 WeakPolarHBondContact O-CB 3.39Å; Q528-A532 PolarHBondContact O-N 2.83Å; E529-A532 PolarHBondContact O-N 3.37Å; F530-A532 VanDerWaalsContact C-N 3.32Å; F530-A532 PolarHBondContact O-N 3.35Å; A532-T534 VanDerWaalsContact C-N 3.31Å; A532-T534 PolarHBondContact O-N 3.49Å; A532-Y535 PolarHBondContact O-N 3.3Å; A532-Y536 WeakPolarHBondContact O-CB 3.32Å; A532-Y536 PolarHBondContact O-N 3.38Å; A532-F582 HydrophobicContact CB-CD2 3.93Å; A532-F582 HydrophobicContact CB-CE2 4.2Å
533	A	97	Very high	91.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.6	-40.6	176.7	0	0	0	0	0	111.7	E529 F530 Y536 H537 F582 F585 L586 L589	E529-A533 WeakPolarHBondContact O-CB 3.32Å; E529-A533 PolarHBondContact O-N 2.9Å; F530-A533 PolarHBondContact O-N 3.4Å; A533-Y536 PolarHBondContact O-N 3.14Å; A533-H537 VanDerWaalsContact O-CB 3.29Å; A533-H537 WeakPolarHBondContact O-CB 3.37Å; A533-H537 PolarHBondContact O-N 3.16Å; A533-F582 VanDerWaalsContact CA-CE2 3.44Å; A533-F582 HydrophobicContact CB-CD2 3.86Å; A533-F582 HydrophobicContact CB-CE2 4.09Å; A533-F585 HydrophobicContact CB-CB 3.51Å; A533-L586 HydrophobicContact CB-CB 4.35Å; A533-L589 HydrophobicContact CB-CD1 4.16Å
534	T	94.5	Very high	90.7	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.018	11%	0.114	C	C	.	.	H	α-helix	trans	-60.8	-47.8	175.2	-59.6	0	0	0	0	111.4	L467 F530 L531 A532 H537 I538 L602	L467-T534 HydrophobicContact CD2-CG2 4.36Å; F530-T534 WeakPolarHBondContact O-CB 3.44Å; F530-T534 PolarHBondContact O-N 3.26Å; F530-T534 PolarHBondContact O-OG1 3.23Å; L531-T534 PolarHBondContact O-N 3.3Å; A532-T534 VanDerWaalsContact C-N 3.31Å; A532-T534 PolarHBondContact O-N 3.49Å; T534-H537 PolarHBondContact O-N 3.3Å; T534-I538 HydrophobicContact CG2-CD1 4.1Å; T534-I538 WeakPolarHBondContact O-CD1 3.2Å; T534-I538 VanDerWaalsContact O-CG1 3.24Å; T534-I538 WeakPolarHBondContact O-CG1 3.45Å; T534-I538 PolarHBondContact O-N 3.08Å; T534-I538 VanDerWaalsContact O-N 3.12Å; T534-L602 HydrophobicContact CG2-CD2 3.73Å
535	Y	93.6	Very high	90	Very high	20 Å²	20	28.4 Å²	28.4	8%	0.078	13%	0.132	C	C	.	.	H	α-helix	trans	-59.9	-48.9	175.1	170.4	-101.5	0	0	0	111.9	G471 R472 F475 L531 A532 H537 I538 C539	G471-Y535 VanDerWaalsContact C-CB 3.4Å; G471-Y535 WeakPolarHBondContact O-CB 3.03Å; R472-Y535 HydrophobicContact CB-CD2 4.02Å; R472-Y535 HydrophobicContact CB-CE1 4.48Å; R472-Y535 HydrophobicContact CB-CE2 3.74Å; R472-Y535 HydrophobicContact CG-CE1 4.45Å; R472-Y535 HydrophobicContact CG-CE2 4.12Å; F475-Y535 HydrophobicContact CB-CD1 3.82Å; F475-Y535 HydrophobicContact CB-CE1 4.35Å; F475-Y535 HydrophobicContact CD1-CD1 4.22Å; F475-Y535 HydrophobicContact CD1-CE1 4.06Å; F475-Y535 HydrophobicContact CG-CD1 4.1Å; F475-Y535 HydrophobicContact CG-CE1 4.41Å; L531-Y535 WeakPolarHBondContact O-CB 3.42Å; L531-Y535 PolarHBondContact O-N 2.64Å; A532-Y535 PolarHBondContact O-N 3.3Å; Y535-H537 VanDerWaalsContact C-N 3.34Å; Y535-H537 PolarHBondContact O-N 2.87Å; Y535-I538 PolarHBondContact O-N 3.45Å; Y535-C539 WeakPolarHBondContact CE2-SG 3.42Å; Y535-C539 WeakPolarHBondContact O-CB 3.39Å; Y535-C539 PolarHBondContact O-N 3.25Å
536	Y	93.4	Very high	89.5	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.5	-42.2	-179.7	-166.6	-89	0	0	0	111.7	F475 A532 A533 I538 C539 S540 L547 F548 H563 A567 F582 L586	F475-Y536 HydrophobicContact CD2-CD2 4.31Å; F475-Y536 HydrophobicContact CE1-CD2 4.36Å; F475-Y536 AromaticContact CE2-CD2 3.59Å; F475-Y536 HydrophobicContact CE2-CD2 3.59Å; F475-Y536 HydrophobicContact CE2-CE2 4.18Å; F475-Y536 HydrophobicContact CE2-CG 4.46Å; F475-Y536 AromaticContact CZ-CD2 3.63Å; F475-Y536 HydrophobicContact CZ-CD2 3.63Å; F475-Y536 AromaticContact CZ-CE2 3.92Å; F475-Y536 HydrophobicContact CZ-CE2 3.92Å; A532-Y536 WeakPolarHBondContact O-CB 3.32Å; A532-Y536 PolarHBondContact O-N 3.38Å; A533-Y536 PolarHBondContact O-N 3.14Å; Y536-I538 PolarHBondContact O-N 2.9Å; Y536-C539 PolarHBondContact O-N 3.4Å; Y536-S540 WeakPolarHBondContact O-CB 3.41Å; Y536-S540 PolarHBondContact O-N 3.32Å; Y536-S540 PolarHBondContact O-OG 3.42Å; Y536-L547 HydrophobicContact CD2-CB 4.01Å; Y536-L547 HydrophobicContact CD2-CD1 3.68Å; Y536-L547 HydrophobicContact CE2-CB 3.63Å; Y536-L547 HydrophobicContact CE2-CD1 3.81Å; Y536-L547 HydrophobicContact CE2-CG 4.32Å; Y536-L547 HydrophobicContact CG-CD1 4.19Å; Y536-F548 AromaticContact CE2-CD2 3.95Å; Y536-F548 HydrophobicContact CE2-CD2 3.95Å; Y536-F548 AromaticContact CE2-CE2 3.57Å; Y536-F548 HydrophobicContact CE2-CE2 3.57Å; Y536-F548 HydrophobicContact CE2-CZ 4.35Å; Y536-F548 AromaticContact CZ-CE2 3.76Å; Y536-F548 WeakPolarHBondContact OH-CE2 3.39Å; Y536-H563 HydrophobicContact CE1-CB 3.97Å; Y536-H563 PolarHBondContact OH-ND1 3.44Å; Y536-H563 PolarHBondContact OH-O 3.41Å; Y536-A567 HydrophobicContact CE1-CB 4Å; Y536-F582 HydrophobicContact CD1-CZ 4.14Å; Y536-F582 HydrophobicContact CD2-CZ 4.02Å; Y536-F582 HydrophobicContact CG-CE2 4.35Å; Y536-F582 AromaticContact CG-CZ 3.72Å; Y536-F582 HydrophobicContact CG-CZ 3.72Å; Y536-L586 HydrophobicContact CD1-CD1 3.97Å; Y536-L586 HydrophobicContact CD1-CD2 3.76Å; Y536-L586 HydrophobicContact CE1-CD2 3.98Å
537	H	91.1	Very high	89.1	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.009	14%	0.137	C	C	.	.	H	α-helix	trans	-59.8	-46.2	176.3	177.1	86.2	0	0	0	112.4	A533 T534 Y535 S540 K541 F560 L586 L589 Q604	A533-H537 VanDerWaalsContact O-CB 3.29Å; A533-H537 WeakPolarHBondContact O-CB 3.37Å; A533-H537 PolarHBondContact O-N 3.16Å; T534-H537 PolarHBondContact O-N 3.3Å; Y535-H537 VanDerWaalsContact C-N 3.34Å; Y535-H537 PolarHBondContact O-N 2.87Å; H537-S540 PolarHBondContact O-OG 2.7Å; H537-K541 PolarHBondContact CE1-NZ 2.97Å; H537-K541 WeakPolarHBondContact NE2-CE 3.24Å; H537-K541 PolarHBondContact NE2-NZ 3.41Å; H537-F560 AromaticContact ND1-CE2 3.79Å; H537-L586 HydrophobicContact CB-CD1 3.85Å; H537-L589 HydrophobicContact CB-CD1 3.98Å; H537-Q604 PolarHBondContact NE2-NE2 2.96Å
538	I	87.8	Confident	88.6	Confident	48 Å²	48	30.6 Å²	30.6	25%	0.246	14%	0.142	C	C	.	.	H	α-helix	trans	-67.7	-47.7	179.5	-61	162.9	0	0	0	110.7	T534 Y535 Y536 L602	T534-I538 HydrophobicContact CG2-CD1 4.1Å; T534-I538 WeakPolarHBondContact O-CD1 3.2Å; T534-I538 VanDerWaalsContact O-CG1 3.24Å; T534-I538 WeakPolarHBondContact O-CG1 3.45Å; T534-I538 PolarHBondContact O-N 3.08Å; T534-I538 VanDerWaalsContact O-N 3.12Å; Y535-I538 PolarHBondContact O-N 3.45Å; Y536-I538 PolarHBondContact O-N 2.9Å; I538-L602 HydrophobicContact CD1-CD2 3.24Å; I538-L602 HydrophobicContact CG1-CD2 3.77Å
539	C	87.9	Confident	87.7	Confident	35 Å²	35	32.2 Å²	32.2	24%	0.236	15%	0.154	C	C	.	.	H	α-helix	trans	-70.8	-40.2	-173.3	-76	0	0	0	0	112.2	Y535 Y536 K541 R542 A543 L547	Y535-C539 WeakPolarHBondContact CE2-SG 3.42Å; Y535-C539 WeakPolarHBondContact O-CB 3.39Å; Y535-C539 PolarHBondContact O-N 3.25Å; Y536-C539 PolarHBondContact O-N 3.4Å; C539-K541 PolarHBondContact O-N 3.03Å; C539-K541 VanDerWaalsContact O-N 3.17Å; C539-R542 CarbonylContact O-C 3.58Å; C539-R542 PolarHBondContact O-N 3.25Å; C539-A543 VanDerWaalsContact O-CB 3.29Å; C539-A543 WeakPolarHBondContact O-CB 3.48Å; C539-A543 PolarHBondContact O-N 2.82Å; C539-L547 HydrophobicContact CB-CD1 3.77Å; C539-L547 HydrophobicContact CB-CD2 4.26Å
540	S	88.4	Confident	85.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62	-23.2	-179.5	55.2	0	0	0	0	114.3	Y536 H537 R542 F560	Y536-S540 WeakPolarHBondContact O-CB 3.41Å; Y536-S540 PolarHBondContact O-N 3.32Å; Y536-S540 PolarHBondContact O-OG 3.42Å; H537-S540 PolarHBondContact O-OG 2.7Å; S540-R542 VanDerWaalsContact C-N 3.25Å; S540-R542 PolarHBondContact O-N 3.29Å; S540-F560 WeakPolarHBondContact OG-CD2 3.46Å
541	K	83.3	Confident	83.8	Confident	76 Å²	76	42 Å²	42	33%	0.33	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.2	172.7	-70.6	178.2	173.6	178.9	0	113	H537 C539 F560 D607	H537-K541 PolarHBondContact CE1-NZ 2.97Å; H537-K541 WeakPolarHBondContact NE2-CE 3.24Å; H537-K541 PolarHBondContact NE2-NZ 3.41Å; C539-K541 PolarHBondContact O-N 3.03Å; C539-K541 VanDerWaalsContact O-N 3.17Å; K541-F560 HydrophobicContact CG-CB 4.47Å; K541-F560 HydrophobicContact CG-CD2 4.1Å; K541-D607 IonicContact NZ-OD2 3.07Å
542	R	80.6	Confident	81.5	Confident	181 Å²	181	46.7 Å²	46.7	68%	0.683	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.6	-15	-175.6	-59.9	-178.9	-176.9	179.4	0.5	113.6	C539 S540	C539-R542 CarbonylContact O-C 3.58Å; C539-R542 PolarHBondContact O-N 3.25Å; S540-R542 VanDerWaalsContact C-N 3.25Å; S540-R542 PolarHBondContact O-N 3.29Å
543	A	78.6	Confident	79.3	Confident	15 Å²	15	53.1 Å²	53.1	12%	0.124	28%	0.277	C	S	.	.			trans	-65.2	141.1	-175.4	0	0	0	0	0	111.6	C539 L547	C539-A543 VanDerWaalsContact O-CB 3.29Å; C539-A543 WeakPolarHBondContact O-CB 3.48Å; C539-A543 PolarHBondContact O-N 2.82Å; A543-L547 HydrophobicContact CB-CD2 4.3Å; A543-L547 HydrophobicContact CB-CG 4.33Å
544	I	72.6	Confident	76.7	Confident	93 Å²	93	58.8 Å²	58.8	48%	0.477	32%	0.317	S	S	.	.	S	Bend	trans	-101	-22.6	176.6	-54.4	175	0	0	0	110	K557	I544-K557 HydrophobicContact CB-CG 4.25Å; I544-K557 HydrophobicContact CG1-CG 4Å; I544-K557 HydrophobicContact CG2-CG 3.92Å
545	F	76.1	Confident	74.8	Confident	98 Å²	98	67.9 Å²	67.9	43%	0.43	35%	0.351	S	S	.	.	S	Bend	trans	-120.9	160	-178	57.6	-91	0	0	0	111.3	L547 H563	F545-L547 HydrophobicContact CE2-CD2 4.24Å; F545-L547 PolarHBondContact O-N 3.46Å; F545-H563 PolarHBondContact O-CE1 3.33Å
546	D	80.4	Confident	72.9	Confident	36 Å²	36	71.9 Å²	71.9	19%	0.193	38%	0.38	C	S	.	.			trans	-64.2	122.5	174.9	-173.5	8.4	0	0	0	111	F548 S549 I558	D546-F548 PolarHBondContact O-N 3.49Å; D546-F548 PolarHBondContact OD1-N 3.25Å; D546-S549 PolarHBondContact O-N 3.2Å; D546-I558 HydrophobicContact CB-CD1 4.37Å
547	L	85.8	Confident	71.1	Confident	5 Å²	5	79.7 Å²	79.7	3%	0.026	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-16.8	-178.3	-68.7	172.1	0	0	0	112.6	F475 Y536 C539 A543 F545 S549	F475-L547 HydrophobicContact CE1-CB 4.39Å; F475-L547 WeakPolarHBondContact CE1-O 3.41Å; Y536-L547 HydrophobicContact CD2-CB 4.01Å; Y536-L547 HydrophobicContact CD2-CD1 3.68Å; Y536-L547 HydrophobicContact CE2-CB 3.63Å; Y536-L547 HydrophobicContact CE2-CD1 3.81Å; Y536-L547 HydrophobicContact CE2-CG 4.32Å; Y536-L547 HydrophobicContact CG-CD1 4.19Å; C539-L547 HydrophobicContact CB-CD1 3.77Å; C539-L547 HydrophobicContact CB-CD2 4.26Å; A543-L547 HydrophobicContact CB-CD2 4.3Å; A543-L547 HydrophobicContact CB-CG 4.33Å; F545-L547 HydrophobicContact CE2-CD2 4.24Å; F545-L547 PolarHBondContact O-N 3.46Å; L547-S549 VanDerWaalsContact C-N 3.32Å
548	F	86.6	Confident	70.1	Confident	26 Å²	26	81.8 Å²	81.8	11%	0.114	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-11.4	172	-74.8	-85.7	0	0	0	113.6	F475 L479 Y536 D546 A567 R570 L579 F582	F475-F548 HydrophobicContact CE2-CE1 4.32Å; F475-F548 HydrophobicContact CE2-CZ 4.26Å; F475-F548 HydrophobicContact CZ-CD1 4.25Å; F475-F548 HydrophobicContact CZ-CE1 4.14Å; F475-F548 HydrophobicContact CZ-CE2 4.48Å; F475-F548 HydrophobicContact CZ-CG 4.49Å; F475-F548 HydrophobicContact CZ-CZ 4.25Å; L479-F548 HydrophobicContact CD1-CD1 4.27Å; L479-F548 HydrophobicContact CD2-CD1 3.74Å; L479-F548 HydrophobicContact CD2-CE1 3.66Å; Y536-F548 AromaticContact CE2-CD2 3.95Å; Y536-F548 HydrophobicContact CE2-CD2 3.95Å; Y536-F548 AromaticContact CE2-CE2 3.57Å; Y536-F548 HydrophobicContact CE2-CE2 3.57Å; Y536-F548 HydrophobicContact CE2-CZ 4.35Å; Y536-F548 AromaticContact CZ-CE2 3.76Å; Y536-F548 WeakPolarHBondContact OH-CE2 3.39Å; D546-F548 PolarHBondContact O-N 3.49Å; D546-F548 PolarHBondContact OD1-N 3.25Å; F548-A567 HydrophobicContact CE2-CB 4.14Å; F548-A567 HydrophobicContact CZ-CB 4.42Å; F548-R570 HydrophobicContact CD1-CG 4.2Å; F548-R570 HydrophobicContact CD2-CG 4.27Å; F548-R570 HydrophobicContact CE1-CB 4.12Å; F548-R570 HydrophobicContact CE1-CG 4.16Å; F548-R570 HydrophobicContact CE2-CG 4.24Å; F548-R570 HydrophobicContact CG-CG 4.25Å; F548-R570 HydrophobicContact CZ-CB 4.11Å; F548-R570 HydrophobicContact CZ-CG 4.19Å; F548-L579 HydrophobicContact CE1-CD1 3.97Å; F548-L579 HydrophobicContact CZ-CD1 4.41Å; F548-F582 HydrophobicContact CZ-CE1 4.41Å
549	S	75.4	Confident	69.8	Low	37 Å²	37	81.1 Å²	81.1	26%	0.259	43%	0.429	S	S	.	.			trans	-94.7	121.1	176.9	173	0	0	0	0	110.3	D546 L547 S551	D546-S549 PolarHBondContact O-N 3.2Å; L547-S549 VanDerWaalsContact C-N 3.32Å; S549-S551 PolarHBondContact O-N 3.4Å; S549-S551 PolarHBondContact OG-N 3.29Å; S549-S551 VanDerWaalsContact OG-N 3.07Å; S549-S551 PolarHBondContact OG-O 2.98Å; S549-S551 PolarHBondContact OG-OG 3.36Å
550	E	58.6	Low	69.7	Low	140 Å²	140	80 Å²	80	65%	0.654	42%	0.42	S	S	*	.			trans	-72.8	-14.3	166.4	-67.6	-169.1	159.4	0	0	111.9	K480	K480-E550 WeakPolarHBondContact CE-OE1 3.33Å; K480-E550 IonicContact NZ-OE1 2.71Å; K480-E550 PolarHBondContact NZ-OE1 3.06Å
551	S	54	Low	69.8	Low	67 Å²	67	84.1 Å²	84.1	47%	0.469	44%	0.44	S	S	.	.	S	Bend	trans	-85.9	127.5	-179.6	74.4	0	0	0	0	112.2	S549 M553	S549-S551 PolarHBondContact O-N 3.4Å; S549-S551 PolarHBondContact OG-N 3.29Å; S549-S551 VanDerWaalsContact OG-N 3.07Å; S549-S551 PolarHBondContact OG-O 2.98Å; S549-S551 PolarHBondContact OG-OG 3.36Å; S551-M553 PolarHBondContact O-N 2.83Å
552	A	47.9	Very low	70	Confident	98 Å²	98	84 Å²	84	81%	0.81	44%	0.443	S	S	*	.			trans	-81	37.4	-178.2	0	0	0	0	0	113.6
553	M	50.9	Low	70.5	Confident	136 Å²	136	75.5 Å²	75.5	67%	0.67	41%	0.41	S	S	*	.			trans	-83.4	127.7	177.5	-91.6	62.8	-168.8	0	0	110.9	S551 W555	S551-M553 PolarHBondContact O-N 2.83Å; M553-W555 PolarHBondContact O-N 3.01Å
554	S	44.2	Very low	71.2	Confident	119 Å²	119	74.8 Å²	74.8	83%	0.832	41%	0.405	S	S	*	.			trans	-72.6	107.7	-173.4	53.8	0	0	0	0	112.8
555	W	52.9	Low	72.1	Confident	193 Å²	193	75.5 Å²	75.5	73%	0.731	40%	0.401	S	S	*	.			trans	-108	159.2	161.5	-66.9	90.3	0	0	0	109	M553	M553-W555 PolarHBondContact O-N 3.01Å
556	P	53.5	Low	72.8	Confident	105 Å²	105	71.8 Å²	71.8	68%	0.682	39%	0.388	S	S	*	.			trans	-63.7	153.7	-177.5	6.9	-0.3	0	0	0	111.3	I558	P556-I558 WeakPolarHBondContact O-CG1 3.5Å; P556-I558 PolarHBondContact O-N 2.83Å
557	K	57.4	Low	73.4	Confident	163 Å²	163	70.1 Å²	70.1	71%	0.709	38%	0.379	S	S	*	.			trans	-43.6	110.5	178	-88.7	-177.2	175.8	175.6	0	111.3	I544	I544-K557 HydrophobicContact CB-CG 4.25Å; I544-K557 HydrophobicContact CG1-CG 4Å; I544-K557 HydrophobicContact CG2-CG 3.92Å
558	I	68.8	Low	73.8	Confident	47 Å²	47	70.3 Å²	70.3	24%	0.241	38%	0.38	C	S	.	.			trans	-78	-31.5	-172.4	-62.2	-175.3	0	0	0	110.9	D546 P556 N562	D546-I558 HydrophobicContact CB-CD1 4.37Å; P556-I558 WeakPolarHBondContact O-CG1 3.5Å; P556-I558 PolarHBondContact O-N 2.83Å; I558-N562 HydrophobicContact CB-CB 4.42Å; I558-N562 HydrophobicContact CG2-CB 3.15Å; I558-N562 VanDerWaalsContact O-CB 3.28Å; I558-N562 WeakPolarHBondContact O-CB 3.44Å; I558-N562 PolarHBondContact O-ND2 3.37Å
559	G	81.6	Confident	73.9	Confident	33 Å²	33	74 Å²	74	34%	0.34	40%	0.397	S	S	.	.	H	α-helix	trans	72.4	160	177.4	0	0	0	0	0	113.7	Q561 N562 H563	G559-Q561 PolarHBondContact O-N 3.23Å; G559-N562 PolarHBondContact O-N 3.05Å; G559-H563 PolarHBondContact O-CD2 2.68Å; G559-H563 PolarHBondContact O-N 3.16Å
560	F	86.9	Confident	74.7	Confident	12 Å²	12	77.1 Å²	77.1	5%	0.053	40%	0.403	C	S	.	.	H	α-helix	trans	-54.8	-45.1	-171.9	177.7	-95.4	0	0	0	113.6	H537 S540 K541 N562 H563 F564 L590 Q611	H537-F560 AromaticContact ND1-CE2 3.79Å; S540-F560 WeakPolarHBondContact OG-CD2 3.46Å; K541-F560 HydrophobicContact CG-CB 4.47Å; K541-F560 HydrophobicContact CG-CD2 4.1Å; F560-N562 VanDerWaalsContact C-N 3.33Å; F560-N562 PolarHBondContact O-N 2.72Å; F560-H563 WeakPolarHBondContact O-CB 3.21Å; F560-H563 PolarHBondContact O-N 3.39Å; F560-H563 VanDerWaalsContact O-N 3.16Å; F560-F564 HydrophobicContact CE1-CB 4.13Å; F560-F564 HydrophobicContact CE1-CD2 4.18Å; F560-F564 HydrophobicContact CE1-CG 4.36Å; F560-F564 HydrophobicContact CZ-CB 4.28Å; F560-F564 AromaticContact CZ-CD2 3.85Å; F560-F564 HydrophobicContact CZ-CD2 3.85Å; F560-F564 HydrophobicContact CZ-CG 4.4Å; F560-F564 WeakPolarHBondContact O-CB 3.3Å; F560-F564 PolarHBondContact O-N 3.07Å; F560-L590 HydrophobicContact CE1-CD1 4.25Å; F560-L590 HydrophobicContact CE1-CD2 3.75Å; F560-L590 HydrophobicContact CZ-CD1 4.38Å; F560-L590 HydrophobicContact CZ-CD2 3.66Å; F560-L590 HydrophobicContact CZ-CG 4.38Å; F560-Q611 HydrophobicContact CD1-CG 4.45Å
561	Q	90.1	Very high	76.3	Confident	87 Å²	87	70.8 Å²	70.8	41%	0.407	37%	0.374	S	S	.	.	H	α-helix	trans	-58.5	-42.8	-177.3	-71	-177	-8.2	0	0	112.7	G559 F564 R565 W614	G559-Q561 PolarHBondContact O-N 3.23Å; Q561-F564 PolarHBondContact O-N 3.45Å; Q561-R565 PolarHBondContact O-N 3.43Å; Q561-W614 HydrophobicContact CB-CD2 4.43Å; Q561-W614 HydrophobicContact CB-CE3 4.38Å; Q561-W614 HydrophobicContact CB-CH2 3.57Å; Q561-W614 HydrophobicContact CB-CZ2 3.58Å; Q561-W614 HydrophobicContact CB-CZ3 3.98Å; Q561-W614 HydrophobicContact CG-CD2 3.76Å; Q561-W614 HydrophobicContact CG-CE3 3.79Å; Q561-W614 HydrophobicContact CG-CG 4.5Å; Q561-W614 HydrophobicContact CG-CH2 3.91Å; Q561-W614 HydrophobicContact CG-CZ2 3.85Å; Q561-W614 HydrophobicContact CG-CZ3 3.87Å; Q561-W614 WeakPolarHBondContact O-CH2 3.37Å
562	N	88.3	Confident	77.8	Confident	74 Å²	74	71.5 Å²	71.5	40%	0.396	37%	0.37	S	S	.	.	H	α-helix	trans	-74.3	-33.4	178.8	-71.1	-33.4	0	0	0	111.8	I558 G559 F560 F564 R565 S566	I558-N562 HydrophobicContact CB-CB 4.42Å; I558-N562 HydrophobicContact CG2-CB 3.15Å; I558-N562 VanDerWaalsContact O-CB 3.28Å; I558-N562 WeakPolarHBondContact O-CB 3.44Å; I558-N562 PolarHBondContact O-ND2 3.37Å; G559-N562 PolarHBondContact O-N 3.05Å; F560-N562 VanDerWaalsContact C-N 3.33Å; F560-N562 PolarHBondContact O-N 2.72Å; N562-F564 VanDerWaalsContact C-N 3.35Å; N562-R565 PolarHBondContact O-N 3.04Å; N562-R565 PolarHBondContact OD1-NH1 2.94Å; N562-S566 WeakPolarHBondContact O-CB 3.33Å; N562-S566 PolarHBondContact O-N 2.91Å
563	H	90.8	Very high	79.7	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-62.8	-40.9	170.6	-83.4	-68.9	0	0	0	112.6	Y536 F545 G559 F560 S566 A567	Y536-H563 HydrophobicContact CE1-CB 3.97Å; Y536-H563 PolarHBondContact OH-ND1 3.44Å; Y536-H563 PolarHBondContact OH-O 3.41Å; F545-H563 PolarHBondContact O-CE1 3.33Å; G559-H563 PolarHBondContact O-CD2 2.68Å; G559-H563 PolarHBondContact O-N 3.16Å; F560-H563 WeakPolarHBondContact O-CB 3.21Å; F560-H563 PolarHBondContact O-N 3.39Å; F560-H563 VanDerWaalsContact O-N 3.16Å; H563-S566 PolarHBondContact O-N 3.03Å; H563-A567 WeakPolarHBondContact O-CB 3.31Å; H563-A567 PolarHBondContact O-N 3.49Å
564	F	92.7	Very high	81.4	Confident	1 Å²	1	66.4 Å²	66.4	0%	0.004	33%	0.33	C	S	.	.	H	α-helix	trans	-64.7	-43.9	176.4	-169.6	-94.9	0	0	0	111	F560 Q561 N562 S566 A567 L568 L586 A587 L590 W614 A615 L618	F560-F564 HydrophobicContact CE1-CB 4.13Å; F560-F564 HydrophobicContact CE1-CD2 4.18Å; F560-F564 HydrophobicContact CE1-CG 4.36Å; F560-F564 HydrophobicContact CZ-CB 4.28Å; F560-F564 AromaticContact CZ-CD2 3.85Å; F560-F564 HydrophobicContact CZ-CD2 3.85Å; F560-F564 HydrophobicContact CZ-CG 4.4Å; F560-F564 WeakPolarHBondContact O-CB 3.3Å; F560-F564 PolarHBondContact O-N 3.07Å; Q561-F564 PolarHBondContact O-N 3.45Å; N562-F564 VanDerWaalsContact C-N 3.35Å; F564-S566 PolarHBondContact O-N 3.24Å; F564-A567 PolarHBondContact O-N 3.08Å; F564-L568 HydrophobicContact CD1-CD1 3.76Å; F564-L568 HydrophobicContact CD1-CG 4.48Å; F564-L568 HydrophobicContact CE1-CD1 3.5Å; F564-L568 VanDerWaalsContact CE1-CD1 3.5Å; F564-L568 HydrophobicContact CE1-CG 4.27Å; F564-L568 HydrophobicContact CZ-CD1 4.35Å; F564-L568 PolarHBondContact O-N 3.14Å; F564-L568 VanDerWaalsContact O-N 3.09Å; F564-L586 HydrophobicContact CD2-CD2 3.82Å; F564-L586 HydrophobicContact CD2-CG 3.81Å; F564-L586 HydrophobicContact CE2-CD2 4.18Å; F564-L586 HydrophobicContact CE2-CG 3.86Å; F564-A587 HydrophobicContact CE2-CB 4.4Å; F564-A587 HydrophobicContact CZ-CB 4.1Å; F564-L590 HydrophobicContact CD2-CD1 4.48Å; F564-L590 HydrophobicContact CE2-CD1 4.01Å; F564-L590 HydrophobicContact CZ-CD1 4.3Å; F564-W614 HydrophobicContact CB-CH2 4.46Å; F564-W614 HydrophobicContact CB-CZ3 4.22Å; F564-W614 HydrophobicContact CD1-CH2 4.28Å; F564-W614 AromaticContact CD1-CZ3 3.87Å; F564-W614 HydrophobicContact CD1-CZ3 3.87Å; F564-W614 HydrophobicContact CG-CZ3 4.29Å; F564-A615 HydrophobicContact CE1-CB 3.94Å; F564-A615 HydrophobicContact CZ-CB 4.16Å; F564-L618 HydrophobicContact CD1-CD2 4.19Å
565	R	92.1	Very high	83.1	Confident	107 Å²	107	68.6 Å²	68.6	40%	0.404	33%	0.327	S	S	.	.	H	α-helix	trans	-60.7	-44	173.2	-173.2	-180	-70.3	122.3	-4.8	112.1	Q561 N562 L568 Q569 L618	Q561-R565 PolarHBondContact O-N 3.43Å; N562-R565 PolarHBondContact O-N 3.04Å; N562-R565 PolarHBondContact OD1-NH1 2.94Å; R565-L568 PolarHBondContact O-N 2.88Å; R565-Q569 WeakPolarHBondContact O-CB 3.39Å; R565-Q569 PolarHBondContact O-N 2.85Å; R565-L618 HydrophobicContact CB-CD2 4.45Å
566	S	90.6	Very high	84.4	Confident	21 Å²	21	62.5 Å²	62.5	15%	0.147	31%	0.309	C	S	.	.	H	α-helix	trans	-60.1	-46.7	176.7	-175.2	0	0	0	0	111.2	N562 H563 F564 L568 Q569 R570	N562-S566 WeakPolarHBondContact O-CB 3.33Å; N562-S566 PolarHBondContact O-N 2.91Å; H563-S566 PolarHBondContact O-N 3.03Å; F564-S566 PolarHBondContact O-N 3.24Å; S566-L568 PolarHBondContact O-N 3.19Å; S566-Q569 PolarHBondContact O-N 3.16Å; S566-R570 VanDerWaalsContact O-CG 3.27Å; S566-R570 WeakPolarHBondContact O-CG 3.45Å; S566-R570 PolarHBondContact O-N 3.38Å
567	A	93.4	Very high	86.1	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.3	-45.6	177.4	0	0	0	0	0	112.6	Y536 F548 H563 F564 R570 S571 F582 V583 L586	Y536-A567 HydrophobicContact CE1-CB 4Å; F548-A567 HydrophobicContact CE2-CB 4.14Å; F548-A567 HydrophobicContact CZ-CB 4.42Å; H563-A567 WeakPolarHBondContact O-CB 3.31Å; H563-A567 PolarHBondContact O-N 3.49Å; F564-A567 PolarHBondContact O-N 3.08Å; A567-R570 PolarHBondContact O-N 2.75Å; A567-S571 PolarHBondContact O-N 3.3Å; A567-F582 HydrophobicContact CB-CE1 4.09Å; A567-V583 HydrophobicContact CB-CG1 4.33Å; A567-L586 HydrophobicContact CB-CD2 3.74Å
568	L	92.6	Very high	87.5	Confident	9 Å²	9	50.9 Å²	50.9	5%	0.047	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-44.1	175.6	-73.3	169.3	0	0	0	112.2	F564 R565 S566 R570 S571 Q572 V583 L618 L619 L622	F564-L568 HydrophobicContact CD1-CD1 3.76Å; F564-L568 HydrophobicContact CD1-CG 4.48Å; F564-L568 HydrophobicContact CE1-CD1 3.5Å; F564-L568 VanDerWaalsContact CE1-CD1 3.5Å; F564-L568 HydrophobicContact CE1-CG 4.27Å; F564-L568 HydrophobicContact CZ-CD1 4.35Å; F564-L568 PolarHBondContact O-N 3.14Å; F564-L568 VanDerWaalsContact O-N 3.09Å; R565-L568 PolarHBondContact O-N 2.88Å; S566-L568 PolarHBondContact O-N 3.19Å; L568-R570 PolarHBondContact O-N 3.49Å; L568-S571 PolarHBondContact O-N 3.25Å; L568-Q572 WeakPolarHBondContact O-CG 3.38Å; L568-Q572 PolarHBondContact O-N 3.11Å; L568-V583 HydrophobicContact CD2-CB 4.16Å; L568-V583 HydrophobicContact CD2-CG1 4.48Å; L568-V583 HydrophobicContact CD2-CG2 4.39Å; L568-L618 HydrophobicContact CD1-CD2 4.01Å; L568-L619 HydrophobicContact CD1-CD2 3.91Å; L568-L619 HydrophobicContact CD2-CD2 3.91Å; L568-L622 HydrophobicContact CB-CD1 4.49Å; L568-L622 HydrophobicContact CD1-CD1 3.87Å
569	Q	90.1	Very high	88.7	Confident	103 Å²	103	48.9 Å²	48.9	48%	0.481	24%	0.238	S	C	.	.	H	α-helix	trans	-63.6	-41.2	178.6	-174.6	177.3	-1	0	0	111.9	R565 S566 Q572 Q573	R565-Q569 WeakPolarHBondContact O-CB 3.39Å; R565-Q569 PolarHBondContact O-N 2.85Å; S566-Q569 PolarHBondContact O-N 3.16Å; Q569-Q572 PolarHBondContact O-N 2.83Å; Q569-Q573 VanDerWaalsContact O-CG 3.3Å; Q569-Q573 WeakPolarHBondContact O-CG 3.48Å; Q569-Q573 PolarHBondContact O-N 2.78Å; Q569-Q573 VanDerWaalsContact O-N 3.11Å
570	R	90.9	Very high	89.3	Confident	104 Å²	104	47.3 Å²	47.3	39%	0.392	22%	0.222	S	C	.	.	H	α-helix	trans	-65.8	-40.7	176.8	-67.3	-66.5	-170.8	145.6	6.6	112.1	F548 S566 A567 L568 Q572 Q573 A574 L579	F548-R570 HydrophobicContact CD1-CG 4.2Å; F548-R570 HydrophobicContact CD2-CG 4.27Å; F548-R570 HydrophobicContact CE1-CB 4.12Å; F548-R570 HydrophobicContact CE1-CG 4.16Å; F548-R570 HydrophobicContact CE2-CG 4.24Å; F548-R570 HydrophobicContact CG-CG 4.25Å; F548-R570 HydrophobicContact CZ-CB 4.11Å; F548-R570 HydrophobicContact CZ-CG 4.19Å; S566-R570 VanDerWaalsContact O-CG 3.27Å; S566-R570 WeakPolarHBondContact O-CG 3.45Å; S566-R570 PolarHBondContact O-N 3.38Å; A567-R570 PolarHBondContact O-N 2.75Å; L568-R570 PolarHBondContact O-N 3.49Å; R570-Q572 PolarHBondContact O-N 2.77Å; R570-Q573 PolarHBondContact O-N 3.21Å; R570-A574 PolarHBondContact O-N 3.35Å; R570-L579 HydrophobicContact CB-CD1 3.97Å
571	S	91.7	Very high	89.7	Confident	6 Å²	6	46.9 Å²	46.9	4%	0.042	22%	0.22	C	C	.	.	H	α-helix	trans	-61	-42.6	173.3	151.9	0	0	0	0	111.7	A567 L568 Q573 A574 D580	A567-S571 PolarHBondContact O-N 3.3Å; L568-S571 PolarHBondContact O-N 3.25Å; S571-Q573 VanDerWaalsContact C-N 3.28Å; S571-Q573 PolarHBondContact O-N 3.38Å; S571-A574 PolarHBondContact O-N 3.43Å; S571-D580 PolarHBondContact OG-OD1 3.25Å
572	Q	87	Confident	90	Very high	83 Å²	83	42.7 Å²	42.7	39%	0.388	20%	0.2	S	C	.	.	H	α-helix	trans	-63.4	-32.7	176.3	-71	-179.5	-20.8	0	0	113.4	L568 Q569 R570 R633	L568-Q572 WeakPolarHBondContact O-CG 3.38Å; L568-Q572 PolarHBondContact O-N 3.11Å; Q569-Q572 PolarHBondContact O-N 2.83Å; R570-Q572 PolarHBondContact O-N 2.77Å; Q572-R633 PolarHBondContact O-NH1 3.18Å; Q572-R633 VanDerWaalsContact O-NH1 3.13Å
573	Q	87.6	Confident	90.4	Very high	114 Å²	114	39.3 Å²	39.3	53%	0.533	18%	0.182	S	C	.	.	H	α-helix	trans	-81.4	-23.7	-180	-71.7	172.8	-7.9	0	0	114.1	Q569 R570 S571 E575	Q569-Q573 VanDerWaalsContact O-CG 3.3Å; Q569-Q573 WeakPolarHBondContact O-CG 3.48Å; Q569-Q573 PolarHBondContact O-N 2.78Å; Q569-Q573 VanDerWaalsContact O-N 3.11Å; R570-Q573 PolarHBondContact O-N 3.21Å; S571-Q573 VanDerWaalsContact C-N 3.28Å; S571-Q573 PolarHBondContact O-N 3.38Å; Q573-E575 PolarHBondContact O-N 3.25Å
574	A	86.1	Confident	90.6	Very high	12 Å²	12	39.6 Å²	39.6	10%	0.099	18%	0.183	C	C	.	.			trans	-71.2	115.8	-179.2	0	0	0	0	0	111.2	R570 S571 D576 G577 R633	R570-A574 PolarHBondContact O-N 3.35Å; S571-A574 PolarHBondContact O-N 3.43Å; A574-D576 VanDerWaalsContact C-N 3.33Å; A574-D576 PolarHBondContact O-N 3.4Å; A574-G577 PolarHBondContact O-N 3.15Å; A574-R633 PolarHBondContact O-NE 2.96Å; A574-R633 PolarHBondContact O-NH1 2.96Å; A574-R633 VanDerWaalsContact O-NH1 3.16Å; A574-R633 PolarHBondContact O-NH2 2.73Å
575	E	80.9	Confident	90.8	Very high	166 Å²	166	39.6 Å²	39.6	78%	0.776	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-25.3	-172.7	-70.6	-165.6	168.1	0	0	115	Q573 R633	Q573-E575 PolarHBondContact O-N 3.25Å; E575-R633 PolarHBondContact O-NH2 2.94Å
576	D	80.4	Confident	91	Very high	64 Å²	64	34.6 Å²	34.6	34%	0.342	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	0.6	-178.4	65.9	-19.4	0	0	0	113.5	K178 H481 A574 H578	K178-D576 CarbonylContact O-C 3.55Å; H481-D576 IonicContact CE1-OD2 2.87Å; H481-D576 PolarHBondContact CE1-OD2 2.83Å; H481-D576 IonicContact ND1-OD2 3.8Å; A574-D576 VanDerWaalsContact C-N 3.33Å; A574-D576 PolarHBondContact O-N 3.4Å; D576-H578 VanDerWaalsContact C-N 3.26Å; D576-H578 PolarHBondContact O-N 3.49Å; D576-H578 IonicContact OD1-CE1 3.97Å; D576-H578 IonicContact OD1-CG 3.53Å; D576-H578 PolarHBondContact OD1-N 2.8Å; D576-H578 IonicContact OD1-ND1 3.42Å; D576-H578 PolarHBondContact OD1-ND1 2.97Å; D576-H578 IonicContact OD2-CG 3.5Å; D576-H578 IonicContact OD2-ND1 3.1Å
577	G	87.4	Confident	91.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.158	C	C	.	.			trans	68.4	15.3	176.4	0	0	0	0	0	115.3	A574 L579 D580	A574-G577 PolarHBondContact O-N 3.15Å; G577-L579 PolarHBondContact O-N 3.08Å; G577-D580 WeakPolarHBondContact CA-OD2 3.49Å; G577-D580 VanDerWaalsContact O-CB 3.3Å; G577-D580 WeakPolarHBondContact O-CB 3.08Å; G577-D580 PolarHBondContact O-N 3.37Å
578	H	88.3	Confident	91.4	Very high	25 Å²	25	33.6 Å²	33.6	12%	0.116	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-10.3	-175.8	71.5	-82.1	0	0	0	115.4	H481 D576	H481-H578 AromaticContact CE1-CE1 3.88Å; H481-H578 AromaticContact CE1-CG 3.71Å; H481-H578 AromaticContact CE1-ND1 3.61Å; D576-H578 VanDerWaalsContact C-N 3.26Å; D576-H578 PolarHBondContact O-N 3.49Å; D576-H578 IonicContact OD1-CE1 3.97Å; D576-H578 IonicContact OD1-CG 3.53Å; D576-H578 PolarHBondContact OD1-N 2.8Å; D576-H578 IonicContact OD1-ND1 3.42Å; D576-H578 PolarHBondContact OD1-ND1 2.97Å; D576-H578 IonicContact OD2-CG 3.5Å; D576-H578 IonicContact OD2-ND1 3.1Å
579	L	93.7	Very high	91.5	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.026	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-1.1	176	-61.8	177.5	0	0	0	113.4	L479 F548 R570 G577 F582 V583	L479-L579 HydrophobicContact CD2-CD2 4.31Å; F548-L579 HydrophobicContact CE1-CD1 3.97Å; F548-L579 HydrophobicContact CZ-CD1 4.41Å; R570-L579 HydrophobicContact CB-CD1 3.97Å; G577-L579 PolarHBondContact O-N 3.08Å; L579-F582 HydrophobicContact CB-CD1 4.47Å; L579-F582 HydrophobicContact CD2-CD1 4.35Å; L579-F582 WeakPolarHBondContact O-CB 3.26Å; L579-F582 PolarHBondContact O-N 2.88Å; L579-V583 PolarHBondContact O-N 3.35Å
580	D	93.6	Very high	91.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-68.9	-43.1	-169.7	-71.6	-12.4	0	0	0	112.2	S571 G577 V583 R584 N636	S571-D580 PolarHBondContact OG-OD1 3.25Å; G577-D580 WeakPolarHBondContact CA-OD2 3.49Å; G577-D580 VanDerWaalsContact O-CB 3.3Å; G577-D580 WeakPolarHBondContact O-CB 3.08Å; G577-D580 PolarHBondContact O-N 3.37Å; D580-V583 WeakPolarHBondContact O-CG2 3.1Å; D580-R584 PolarHBondContact O-N 3.29Å; D580-N636 PolarHBondContact O-ND2 3.38Å
581	V	94.9	Very high	91.6	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.012	12%	0.119	C	C	.	.	H	α-helix	trans	-75.7	-32.1	175.8	-178.7	0	0	0	0	110.9	H180 L182 E529 V583 R584 F585	H180-V581 VanDerWaalsContact ND1-CG2 3.33Å; H180-V581 WeakPolarHBondContact ND1-CG2 3.13Å; L182-V581 HydrophobicContact CB-CG2 4.02Å; L182-V581 HydrophobicContact CD2-CG1 4Å; L182-V581 HydrophobicContact CD2-CG2 3.79Å; L182-V581 HydrophobicContact CG-CG2 4.43Å; E529-V581 HydrophobicContact CB-CG1 4.49Å; E529-V581 WeakPolarHBondContact OE1-CB 3.23Å; V581-V583 VanDerWaalsContact C-N 3.35Å; V581-V583 PolarHBondContact O-N 2.83Å; V581-R584 WeakPolarHBondContact O-CB 3.31Å; V581-R584 PolarHBondContact O-N 2.94Å; V581-F585 HydrophobicContact CG1-CD2 3.89Å; V581-F585 HydrophobicContact CG1-CE2 3.45Å; V581-F585 VanDerWaalsContact CG1-CE2 3.45Å; V581-F585 HydrophobicContact CG1-CZ 4.07Å; V581-F585 VanDerWaalsContact O-CD2 3.32Å; V581-F585 WeakPolarHBondContact O-CD2 3.41Å; V581-F585 PolarHBondContact O-N 2.89Å
582	F	97	Very high	91.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-56	-46	171.3	161.1	-92.9	0	0	0	111.9	F475 A532 A533 Y536 F548 A567 L579 R584 F585 L586	F475-F582 AromaticContact CD2-CE2 3.84Å; F475-F582 HydrophobicContact CD2-CE2 3.84Å; F475-F582 HydrophobicContact CD2-CZ 4.15Å; F475-F582 HydrophobicContact CE2-CE2 4.01Å; F475-F582 AromaticContact CE2-CZ 3.83Å; F475-F582 HydrophobicContact CE2-CZ 3.83Å; A532-F582 HydrophobicContact CB-CD2 3.93Å; A532-F582 HydrophobicContact CB-CE2 4.2Å; A533-F582 VanDerWaalsContact CA-CE2 3.44Å; A533-F582 HydrophobicContact CB-CD2 3.86Å; A533-F582 HydrophobicContact CB-CE2 4.09Å; Y536-F582 HydrophobicContact CD1-CZ 4.14Å; Y536-F582 HydrophobicContact CD2-CZ 4.02Å; Y536-F582 HydrophobicContact CG-CE2 4.35Å; Y536-F582 AromaticContact CG-CZ 3.72Å; Y536-F582 HydrophobicContact CG-CZ 3.72Å; F548-F582 HydrophobicContact CZ-CE1 4.41Å; A567-F582 HydrophobicContact CB-CE1 4.09Å; L579-F582 HydrophobicContact CB-CD1 4.47Å; L579-F582 HydrophobicContact CD2-CD1 4.35Å; L579-F582 WeakPolarHBondContact O-CB 3.26Å; L579-F582 PolarHBondContact O-N 2.88Å; F582-R584 VanDerWaalsContact C-N 3.35Å; F582-R584 PolarHBondContact O-N 2.87Å; F582-F585 PolarHBondContact O-N 2.93Å; F582-L586 HydrophobicContact CE1-CD2 4.41Å; F582-L586 HydrophobicContact CZ-CD2 4.46Å; F582-L586 WeakPolarHBondContact O-CB 3.41Å; F582-L586 PolarHBondContact O-N 2.98Å
583	V	96.3	Very high	91.5	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-70.9	-28.5	178.4	-63.2	0	0	0	0	113	A567 L568 L579 D580 V581 L586 A587	A567-V583 HydrophobicContact CB-CG1 4.33Å; L568-V583 HydrophobicContact CD2-CB 4.16Å; L568-V583 HydrophobicContact CD2-CG1 4.48Å; L568-V583 HydrophobicContact CD2-CG2 4.39Å; L579-V583 PolarHBondContact O-N 3.35Å; D580-V583 WeakPolarHBondContact O-CG2 3.1Å; V581-V583 VanDerWaalsContact C-N 3.35Å; V581-V583 PolarHBondContact O-N 2.83Å; V583-L586 PolarHBondContact O-N 3.23Å; V583-A587 WeakPolarHBondContact O-CB 3.41Å; V583-A587 PolarHBondContact O-N 3.48Å
584	R	95.6	Very high	91.6	Very high	7 Å²	7	19.4 Å²	19.4	3%	0.026	11%	0.107	C	C	.	.	H	α-helix	trans	-60.6	-51.2	170.3	-70.6	-177.6	-176.4	-172	0.3	111	M183 E186 D580 V581 F582 L586 A587 G588 N636 Y639 E643	M183-R584 VanDerWaalsContact CE-NH2 3.33Å; M183-R584 PolarHBondContact SD-NH2 3.43Å; E186-R584 IonicContact OE1-NH1 3.99Å; E186-R584 PolarHBondContact OE1-NH1 2.98Å; E186-R584 IonicContact OE2-CZ 3.11Å; E186-R584 VanDerWaalsContact OE2-CZ 3.26Å; E186-R584 IonicContact OE2-NH1 3.29Å; E186-R584 PolarHBondContact OE2-NH1 2.87Å; E186-R584 IonicContact OE2-NH2 3.34Å; E186-R584 PolarHBondContact OE2-NH2 3.48Å; D580-R584 PolarHBondContact O-N 3.29Å; V581-R584 WeakPolarHBondContact O-CB 3.31Å; V581-R584 PolarHBondContact O-N 2.94Å; F582-R584 VanDerWaalsContact C-N 3.35Å; F582-R584 PolarHBondContact O-N 2.87Å; R584-L586 VanDerWaalsContact C-N 3.31Å; R584-L586 PolarHBondContact O-N 3.06Å; R584-A587 PolarHBondContact O-N 2.87Å; R584-G588 PolarHBondContact O-N 3.17Å; R584-N636 PolarHBondContact NE-OD1 3.24Å; R584-N636 PolarHBondContact NH2-OD1 2.99Å; R584-Y639 VanDerWaalsContact NH2-CG 3.27Å; R584-E643 HydrophobicContact CB-CG 4.37Å
585	F	97.5	Very high	91.7	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.009	11%	0.109	C	C	.	.	H	α-helix	trans	-61.9	-40.5	177.2	-70.5	-49.9	0	0	0	111.7	C431 T432 Y435 T526 E529 F530 A533 V581 F582 A587 G588 L589	C431-F585 HydrophobicContact CB-CE1 3.99Å; T432-F585 HydrophobicContact CG2-CD1 4.29Å; Y435-F585 AromaticContact CD2-CE1 3.6Å; Y435-F585 HydrophobicContact CD2-CE1 3.6Å; Y435-F585 AromaticContact CD2-CZ 3.6Å; Y435-F585 HydrophobicContact CD2-CZ 3.6Å; Y435-F585 HydrophobicContact CE2-CE1 4.21Å; Y435-F585 AromaticContact CE2-CZ 3.84Å; Y435-F585 HydrophobicContact CE2-CZ 3.84Å; Y435-F585 HydrophobicContact CG-CE1 4.19Å; Y435-F585 HydrophobicContact CG-CZ 4.12Å; T526-F585 WeakPolarHBondContact O-CE2 3.47Å; E529-F585 HydrophobicContact CB-CD2 4.09Å; E529-F585 HydrophobicContact CB-CE2 3.99Å; F530-F585 VanDerWaalsContact CA-CD2 3.49Å; F530-F585 HydrophobicContact CB-CD1 4.43Å; F530-F585 HydrophobicContact CB-CD2 3.87Å; F530-F585 HydrophobicContact CB-CE1 4.36Å; F530-F585 HydrophobicContact CB-CE2 3.77Å; F530-F585 HydrophobicContact CB-CG 4.21Å; F530-F585 HydrophobicContact CB-CZ 4.04Å; F530-F585 HydrophobicContact CD2-CB 4.3Å; F530-F585 AromaticContact CD2-CD1 3.68Å; F530-F585 HydrophobicContact CD2-CD1 3.68Å; F530-F585 HydrophobicContact CD2-CD2 4.44Å; F530-F585 HydrophobicContact CD2-CE1 4.02Å; F530-F585 AromaticContact CD2-CG 3.92Å; F530-F585 HydrophobicContact CD2-CG 3.92Å; A533-F585 HydrophobicContact CB-CB 3.51Å; V581-F585 HydrophobicContact CG1-CD2 3.89Å; V581-F585 HydrophobicContact CG1-CE2 3.45Å; V581-F585 VanDerWaalsContact CG1-CE2 3.45Å; V581-F585 HydrophobicContact CG1-CZ 4.07Å; V581-F585 VanDerWaalsContact O-CD2 3.32Å; V581-F585 WeakPolarHBondContact O-CD2 3.41Å; V581-F585 PolarHBondContact O-N 2.89Å; F582-F585 PolarHBondContact O-N 2.93Å; F585-A587 VanDerWaalsContact C-N 3.29Å; F585-A587 PolarHBondContact O-N 3.04Å; F585-G588 PolarHBondContact O-N 3.42Å; F585-L589 WeakPolarHBondContact O-CB 3.43Å; F585-L589 VanDerWaalsContact O-CG 3.25Å; F585-L589 WeakPolarHBondContact O-CG 3.33Å; F585-L589 PolarHBondContact O-N 3.34Å
586	L	96.3	Very high	91.9	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-61.2	-38.6	177	-175.3	61.6	0	0	0	112.1	A533 Y536 H537 F564 A567 F582 V583 R584	A533-L586 HydrophobicContact CB-CB 4.35Å; Y536-L586 HydrophobicContact CD1-CD1 3.97Å; Y536-L586 HydrophobicContact CD1-CD2 3.76Å; Y536-L586 HydrophobicContact CE1-CD2 3.98Å; H537-L586 HydrophobicContact CB-CD1 3.85Å; F564-L586 HydrophobicContact CD2-CD2 3.82Å; F564-L586 HydrophobicContact CD2-CG 3.81Å; F564-L586 HydrophobicContact CE2-CD2 4.18Å; F564-L586 HydrophobicContact CE2-CG 3.86Å; A567-L586 HydrophobicContact CB-CD2 3.74Å; F582-L586 HydrophobicContact CE1-CD2 4.41Å; F582-L586 HydrophobicContact CZ-CD2 4.46Å; F582-L586 WeakPolarHBondContact O-CB 3.41Å; F582-L586 PolarHBondContact O-N 2.98Å; V583-L586 PolarHBondContact O-N 3.23Å; R584-L586 VanDerWaalsContact C-N 3.31Å; R584-L586 PolarHBondContact O-N 3.06Å
587	A	96.2	Very high	92.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-68	-47.3	173.8	0	0	0	0	0	111.5	F564 V583 R584 F585 L589 L590 C640 L644	F564-A587 HydrophobicContact CE2-CB 4.4Å; F564-A587 HydrophobicContact CZ-CB 4.1Å; V583-A587 WeakPolarHBondContact O-CB 3.41Å; V583-A587 PolarHBondContact O-N 3.48Å; R584-A587 PolarHBondContact O-N 2.87Å; F585-A587 VanDerWaalsContact C-N 3.29Å; F585-A587 PolarHBondContact O-N 3.04Å; A587-L589 VanDerWaalsContact C-N 3.27Å; A587-L589 PolarHBondContact O-N 3.47Å; A587-L590 WeakPolarHBondContact O-CB 3.23Å; A587-L590 PolarHBondContact O-N 3.29Å; A587-C640 HydrophobicContact CB-CB 3.83Å; A587-L644 HydrophobicContact CB-CD1 4.3Å; A587-L644 HydrophobicContact CB-CG 4.11Å; A587-L644 WeakPolarHBondContact O-CD2 3.43Å
588	G	95.6	Very high	92.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.5	-30	178.7	0	0	0	0	0	114	T432 R584 F585 L590 C591 A594	T432-G588 WeakPolarHBondContact OG1-CA 3.33Å; R584-G588 PolarHBondContact O-N 3.17Å; F585-G588 PolarHBondContact O-N 3.42Å; G588-L590 PolarHBondContact O-N 2.78Å; G588-L590 VanDerWaalsContact O-N 3.08Å; G588-C591 WeakPolarHBondContact O-CB 3.48Å; G588-C591 PolarHBondContact O-N 2.96Å; G588-A594 WeakPolarHBondContact O-CB 3.23Å
589	L	93.7	Very high	91.8	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.01	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-4.6	174.3	-73.8	169.4	0	0	0	113.7	T432 F530 A533 H537 F585 A587 V595 L598	T432-L589 HydrophobicContact CG2-CD2 4.04Å; T432-L589 HydrophobicContact CG2-CG 3.9Å; F530-L589 HydrophobicContact CE2-CD2 4.44Å; A533-L589 HydrophobicContact CB-CD1 4.16Å; H537-L589 HydrophobicContact CB-CD1 3.98Å; F585-L589 WeakPolarHBondContact O-CB 3.43Å; F585-L589 VanDerWaalsContact O-CG 3.25Å; F585-L589 WeakPolarHBondContact O-CG 3.33Å; F585-L589 PolarHBondContact O-N 3.34Å; A587-L589 VanDerWaalsContact C-N 3.27Å; A587-L589 PolarHBondContact O-N 3.47Å; L589-V595 WeakPolarHBondContact O-CG2 3.39Å; L589-L598 HydrophobicContact CD2-CD1 4.45Å
590	L	92.6	Very high	90.7	Very high	13 Å²	13	19.2 Å²	19.2	7%	0.068	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-6.8	167.6	-60.1	175.3	0	0	0	112.7	F560 F564 A587 G588 Q611 R612 A615 L644	F560-L590 HydrophobicContact CE1-CD1 4.25Å; F560-L590 HydrophobicContact CE1-CD2 3.75Å; F560-L590 HydrophobicContact CZ-CD1 4.38Å; F560-L590 HydrophobicContact CZ-CD2 3.66Å; F560-L590 HydrophobicContact CZ-CG 4.38Å; F564-L590 HydrophobicContact CD2-CD1 4.48Å; F564-L590 HydrophobicContact CE2-CD1 4.01Å; F564-L590 HydrophobicContact CZ-CD1 4.3Å; A587-L590 WeakPolarHBondContact O-CB 3.23Å; A587-L590 PolarHBondContact O-N 3.29Å; G588-L590 PolarHBondContact O-N 2.78Å; G588-L590 VanDerWaalsContact O-N 3.08Å; L590-Q611 HydrophobicContact CD2-CB 4.14Å; L590-R612 HydrophobicContact CB-CB 4.44Å; L590-A615 HydrophobicContact CD1-CB 3.52Å; L590-L644 HydrophobicContact CB-CD2 3.68Å; L590-L644 HydrophobicContact CD1-CD2 4.13Å; L590-L644 HydrophobicContact CG-CD2 4.45Å
591	C	90.8	Very high	89.8	Confident	3 Å²	3	19.6 Å²	19.6	2%	0.02	12%	0.124	C	C	.	.	S	Bend	trans	-86.7	128.8	175.5	-171.5	0	0	0	0	110.9	G588 A593 A594 V595	G588-C591 WeakPolarHBondContact O-CB 3.48Å; G588-C591 PolarHBondContact O-N 2.96Å; C591-A593 VanDerWaalsContact C-N 3.25Å; C591-A593 PolarHBondContact O-N 2.94Å; C591-A594 HydrophobicContact CB-CB 4.39Å; C591-A594 PolarHBondContact O-N 3.48Å; C591-A594 VanDerWaalsContact O-N 3.1Å; C591-V595 PolarHBondContact O-N 3.3Å
592	P	88.1	Confident	88.9	Confident	75 Å²	75	19.8 Å²	19.8	49%	0.487	13%	0.125	S	C	.	.	H	α-helix	trans	-57.3	-35.1	177.5	-27.4	35.4	0	0	0	114.2	A594 V595 R596	P592-A594 VanDerWaalsContact C-N 3.29Å; P592-A594 PolarHBondContact O-N 2.9Å; P592-V595 PolarHBondContact O-N 3.44Å; P592-R596 VanDerWaalsContact O-CB 3.3Å; P592-R596 WeakPolarHBondContact O-CB 3.41Å; P592-R596 PolarHBondContact O-N 3.47Å
593	A	88.3	Confident	87.3	Confident	28 Å²	28	22 Å²	22	23%	0.231	14%	0.144	C	C	.	.	H	α-helix	trans	-62.5	-36.1	178.4	0	0	0	0	0	112.1	E433 C591 P597	E433-A593 HydrophobicContact CG-CB 4.18Å; C591-A593 VanDerWaalsContact C-N 3.25Å; C591-A593 PolarHBondContact O-N 2.94Å; A593-P597 VanDerWaalsContact O-CD 3.26Å; A593-P597 WeakPolarHBondContact O-CD 3.34Å
594	A	90.4	Very high	85.8	Confident	0 Å²	0	25 Å²	25	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-78.9	-32	178.8	0	0	0	0	0	113	T432 E433 S436 G588 C591 P592 P597	T432-A594 HydrophobicContact CG2-CB 3.85Å; E433-A594 HydrophobicContact CG-CB 4.07Å; S436-A594 WeakPolarHBondContact CB-O 3.32Å; S436-A594 PolarHBondContact OG-O 3.29Å; G588-A594 WeakPolarHBondContact O-CB 3.23Å; C591-A594 HydrophobicContact CB-CB 4.39Å; C591-A594 PolarHBondContact O-N 3.48Å; C591-A594 VanDerWaalsContact O-N 3.1Å; P592-A594 VanDerWaalsContact C-N 3.29Å; P592-A594 PolarHBondContact O-N 2.9Å; A594-P597 WeakPolarHBondContact O-CD 3.42Å
595	V	88	Confident	84	Confident	22 Å²	22	27.9 Å²	27.9	13%	0.133	19%	0.189	C	C	.	.	H	α-helix	trans	-82.9	-30.3	-178.2	178.4	0	0	0	0	112.2	L589 C591 P592 L598 A599 L602	L589-V595 WeakPolarHBondContact O-CG2 3.39Å; C591-V595 PolarHBondContact O-N 3.3Å; P592-V595 PolarHBondContact O-N 3.44Å; V595-L598 CarbonylContact O-C 3.12Å; V595-L598 WeakPolarHBondContact O-CA 3.35Å; V595-L598 PolarHBondContact O-N 2.88Å; V595-A599 PolarHBondContact O-N 2.95Å; V595-L602 HydrophobicContact CG1-CD1 4.18Å
596	R	86.4	Confident	82.1	Confident	119 Å²	119	37.8 Å²	37.8	45%	0.449	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-52.8	-46	-176.8	-178.8	-173.4	-60.4	138	-1.8	113.8	E425 P592 L598 A599	E425-R596 IonicContact OE1-CZ 2.83Å; E425-R596 IonicContact OE1-NE 3.06Å; E425-R596 IonicContact OE1-NH1 3.99Å; E425-R596 PolarHBondContact OE1-NH1 3.19Å; E425-R596 IonicContact OE1-NH2 3.18Å; E425-R596 WeakPolarHBondContact OE2-CD 3.5Å; E425-R596 IonicContact OE2-CZ 2.73Å; E425-R596 IonicContact OE2-NE 3.94Å; E425-R596 IonicContact OE2-NH1 3.93Å; E425-R596 PolarHBondContact OE2-NH1 3.47Å; P592-R596 VanDerWaalsContact O-CB 3.3Å; P592-R596 WeakPolarHBondContact O-CB 3.41Å; P592-R596 PolarHBondContact O-N 3.47Å; R596-L598 PolarHBondContact O-N 3.35Å; R596-A599 VanDerWaalsContact O-CB 3.3Å; R596-A599 WeakPolarHBondContact O-CB 3.45Å; R596-A599 PolarHBondContact O-N 2.68Å; R596-A599 VanDerWaalsContact O-N 3.14Å
597	P	87.1	Confident	80.5	Confident	21 Å²	21	41.4 Å²	41.4	14%	0.136	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-61.6	-26.2	177.4	-22.6	34.7	0	0	0	113.2	H437 A440 A593 A594	H437-P597 WeakPolarHBondContact CE1-CG 3.45Å; H437-P597 VanDerWaalsContact NE2-CG 3.34Å; H437-P597 WeakPolarHBondContact NE2-CG 3.31Å; A440-P597 HydrophobicContact CB-CB 4.09Å; A440-P597 WeakPolarHBondContact CB-O 3.34Å; A593-P597 VanDerWaalsContact O-CD 3.26Å; A593-P597 WeakPolarHBondContact O-CD 3.34Å; A594-P597 WeakPolarHBondContact O-CD 3.42Å
598	L	86	Confident	78.7	Confident	1 Å²	1	49 Å²	49	1%	0.005	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-96.1	3.2	-178.8	-60.2	179.4	0	0	0	113.4	C439 F530 L589 V595 R596 G600 L601 L602	C439-L598 HydrophobicContact CB-CD2 4.19Å; F530-L598 HydrophobicContact CZ-CD1 3.97Å; L589-L598 HydrophobicContact CD2-CD1 4.45Å; V595-L598 CarbonylContact O-C 3.12Å; V595-L598 WeakPolarHBondContact O-CA 3.35Å; V595-L598 PolarHBondContact O-N 2.88Å; R596-L598 PolarHBondContact O-N 3.35Å; L598-G600 VanDerWaalsContact C-N 3.27Å; L598-G600 PolarHBondContact O-N 3.21Å; L598-L601 HydrophobicContact CD2-CD1 3.99Å; L598-L601 WeakPolarHBondContact O-CA 3.22Å; L598-L601 PolarHBondContact O-N 3.49Å; L598-L602 HydrophobicContact CB-CD1 3.43Å; L598-L602 VanDerWaalsContact CB-CD1 3.43Å; L598-L602 HydrophobicContact CB-CG 3.79Å; L598-L602 HydrophobicContact CD1-CD1 3.88Å; L598-L602 HydrophobicContact CG-CD1 4.34Å; L598-L602 WeakPolarHBondContact O-CG 3.38Å; L598-L602 PolarHBondContact O-N 3.42Å
599	A	80.3	Confident	77.5	Confident	58 Å²	58	50.6 Å²	50.6	48%	0.479	31%	0.309	S	S	.	.	H	α-helix	trans	-55.6	-40.9	-172.6	0	0	0	0	0	112.8	V595 R596 L601 A603	V595-A599 PolarHBondContact O-N 2.95Å; R596-A599 VanDerWaalsContact O-CB 3.3Å; R596-A599 WeakPolarHBondContact O-CB 3.45Å; R596-A599 PolarHBondContact O-N 2.68Å; R596-A599 VanDerWaalsContact O-N 3.14Å; A599-L601 VanDerWaalsContact C-N 3.25Å; A599-L601 PolarHBondContact O-N 3.4Å; A599-A603 PolarHBondContact O-N 2.85Å
600	G	70.3	Confident	77	Confident	46 Å²	46	52.8 Å²	52.8	47%	0.474	33%	0.332	S	S	.	.	H	α-helix	trans	-66	-22.9	175.6	0	0	0	0	0	114.4	L598	L598-G600 VanDerWaalsContact C-N 3.27Å; L598-G600 PolarHBondContact O-N 3.21Å
601	L	74.3	Confident	76.8	Confident	9 Å²	9	54.3 Å²	54.3	5%	0.047	34%	0.338	C	S	.	.	H	α-helix	trans	-95.7	-30.6	-178.7	-61.8	174.6	0	0	0	113	A443 N463 R464 L467 L598 A599	A443-L601 HydrophobicContact CB-CD1 4.19Å; A443-L601 HydrophobicContact CB-CD2 4.37Å; N463-L601 HydrophobicContact CB-CD2 3.7Å; R464-L601 VanDerWaalsContact CD-O 3.27Å; R464-L601 WeakPolarHBondContact CD-O 3.2Å; R464-L601 WeakPolarHBondContact CG-O 3.35Å; L467-L601 HydrophobicContact CD2-CB 3.82Å; L467-L601 HydrophobicContact CD2-CD1 4.33Å; L598-L601 HydrophobicContact CD2-CD1 3.99Å; L598-L601 WeakPolarHBondContact O-CA 3.22Å; L598-L601 PolarHBondContact O-N 3.49Å; A599-L601 VanDerWaalsContact C-N 3.25Å; A599-L601 PolarHBondContact O-N 3.4Å
602	L	76.8	Confident	76.7	Confident	6 Å²	6	57.7 Å²	57.7	3%	0.031	35%	0.351	C	S	.	.	H	α-helix	trans	-94.3	-18.4	-170.1	-61.5	174.4	0	0	0	114.5	L467 T534 I538 V595 L598 Q604	L467-L602 HydrophobicContact CD2-CD2 3.95Å; T534-L602 HydrophobicContact CG2-CD2 3.73Å; I538-L602 HydrophobicContact CD1-CD2 3.24Å; I538-L602 HydrophobicContact CG1-CD2 3.77Å; V595-L602 HydrophobicContact CG1-CD1 4.18Å; L598-L602 HydrophobicContact CB-CD1 3.43Å; L598-L602 VanDerWaalsContact CB-CD1 3.43Å; L598-L602 HydrophobicContact CB-CG 3.79Å; L598-L602 HydrophobicContact CD1-CD1 3.88Å; L598-L602 HydrophobicContact CG-CD1 4.34Å; L598-L602 WeakPolarHBondContact O-CG 3.38Å; L598-L602 PolarHBondContact O-N 3.42Å; L602-Q604 VanDerWaalsContact C-N 3.32Å; L602-Q604 HydrophobicContact CB-CG 3.73Å; L602-Q604 PolarHBondContact O-N 2.94Å
603	A	63.5	Low	76.9	Confident	47 Å²	47	59.1 Å²	59.1	39%	0.388	36%	0.358	S	S	.	.			trans	39.9	57.7	-173.4	0	0	0	0	0	113.1	R464 A599	R464-A603 VanDerWaalsContact NH1-CB 3.27Å; R464-A603 VanDerWaalsContact NH2-CB 3.32Å; A599-A603 PolarHBondContact O-N 2.85Å
604	Q	63.4	Low	77.1	Confident	65 Å²	65	60.8 Å²	60.8	30%	0.304	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-85.7	148.6	177.6	-59	-164.2	7.1	0	0	111	H537 L602	H537-Q604 PolarHBondContact NE2-NE2 2.96Å; L602-Q604 VanDerWaalsContact C-N 3.32Å; L602-Q604 HydrophobicContact CB-CG 3.73Å; L602-Q604 PolarHBondContact O-N 2.94Å
605	G	59.4	Low	77.3	Confident	66 Å²	66	60.8 Å²	60.8	68%	0.68	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-75.3	173	165.1	0	0	0	0	0	111.3	D607	G605-D607 PolarHBondContact O-N 2.89Å
606	K	56.1	Low	77.6	Confident	211 Å²	211	59.7 Å²	59.7	92%	0.917	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-61.5	121.6	170.4	-73.6	-176.9	175.8	-178.4	0	108.9
607	D	62.9	Low	77.9	Confident	77 Å²	77	55.4 Å²	55.4	41%	0.412	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-97	127.6	171.7	-167.1	-12.3	0	0	0	108	K541 G605 G609	K541-D607 IonicContact NZ-OD2 3.07Å; G605-D607 PolarHBondContact O-N 2.89Å; D607-G609 PolarHBondContact O-N 3.1Å
608	D	59.1	Low	78.3	Confident	159 Å²	159	55.7 Å²	55.7	85%	0.85	35%	0.345	S	S	*	.			trans	-79.8	9.2	-173.4	-61.8	-29.4	0	0	0	112.8	G610	D608-G610 PolarHBondContact O-N 3.38Å
609	G	70.1	Confident	78.7	Confident	35 Å²	35	55.7 Å²	55.7	36%	0.361	35%	0.345	S	S	.	.	S	Bend	trans	77.8	-5.5	177.9	0	0	0	0	0	115	D607 Q611 R612 V613	D607-G609 PolarHBondContact O-N 3.1Å; G609-Q611 VanDerWaalsContact C-N 3.29Å; G609-Q611 PolarHBondContact O-N 2.87Å; G609-R612 WeakPolarHBondContact O-CB 3.27Å; G609-R612 PolarHBondContact O-N 3.34Å; G609-V613 PolarHBondContact O-N 3.49Å
610	G	83.6	Confident	79.3	Confident	48 Å²	48	55.9 Å²	55.9	50%	0.495	34%	0.336	S	S	.	.	H	α-helix	trans	-61.5	-31.9	-179.8	0	0	0	0	0	114.1	D608 R612 W614	D608-G610 PolarHBondContact O-N 3.38Å; G610-R612 VanDerWaalsContact C-N 3.34Å; G610-R612 PolarHBondContact O-N 3.22Å; G610-W614 WeakPolarHBondContact O-CB 3.3Å; G610-W614 PolarHBondContact O-N 3.35Å; G610-W614 VanDerWaalsContact O-N 3.15Å
611	Q	87.1	Confident	80.2	Confident	44 Å²	44	59.2 Å²	59.2	21%	0.206	34%	0.343	C	S	.	.	H	α-helix	trans	-66.5	-36	177.6	-63	-170.5	-7.3	0	0	112.3	F560 L590 G609 A615	F560-Q611 HydrophobicContact CD1-CG 4.45Å; L590-Q611 HydrophobicContact CD2-CB 4.14Å; G609-Q611 VanDerWaalsContact C-N 3.29Å; G609-Q611 PolarHBondContact O-N 2.87Å; Q611-A615 VanDerWaalsContact O-CB 3.28Å; Q611-A615 WeakPolarHBondContact O-CB 3.31Å; Q611-A615 PolarHBondContact O-N 3.37Å
612	R	90.2	Very high	81.1	Confident	74 Å²	74	60.2 Å²	60.2	28%	0.279	35%	0.348	S	S	.	.	H	α-helix	trans	-65.9	-49.4	179.2	-177.9	-177.1	174.8	-163.8	-4.7	111.5	L590 G609 G610 W614 A615 A616 L644 Q645	L590-R612 HydrophobicContact CB-CB 4.44Å; G609-R612 WeakPolarHBondContact O-CB 3.27Å; G609-R612 PolarHBondContact O-N 3.34Å; G610-R612 VanDerWaalsContact C-N 3.34Å; G610-R612 PolarHBondContact O-N 3.22Å; R612-W614 VanDerWaalsContact C-N 3.35Å; R612-W614 PolarHBondContact O-N 2.92Å; R612-A615 PolarHBondContact O-N 3.46Å; R612-A616 WeakPolarHBondContact O-CB 3.43Å; R612-A616 PolarHBondContact O-N 3.46Å; R612-L644 HydrophobicContact CG-CD2 3.99Å; R612-L644 VanDerWaalsContact CZ-O 3.24Å; R612-L644 PolarHBondContact NE-O 3.41Å; R612-L644 PolarHBondContact NH2-O 3.11Å; R612-Q645 PolarHBondContact NH2-O 3.34Å
613	V	91.2	Very high	81.6	Confident	106 Å²	106	60 Å²	60	64%	0.642	35%	0.347	S	S	*	.	H	α-helix	trans	-63.1	-43.4	179.6	178.9	0	0	0	0	110.8	G609 A616 G617	G609-V613 PolarHBondContact O-N 3.49Å; V613-A616 PolarHBondContact O-N 3.12Å; V613-G617 PolarHBondContact O-N 2.88Å; V613-G617 VanDerWaalsContact O-N 3.12Å
614	W	93.9	Very high	82.5	Confident	62 Å²	62	59.5 Å²	59.5	24%	0.235	35%	0.346	C	S	.	.	H	α-helix	trans	-61.2	-46	175.4	172	85.6	0	0	0	112.5	Q561 F564 G610 R612 A616 G617 L618	Q561-W614 HydrophobicContact CB-CD2 4.43Å; Q561-W614 HydrophobicContact CB-CE3 4.38Å; Q561-W614 HydrophobicContact CB-CH2 3.57Å; Q561-W614 HydrophobicContact CB-CZ2 3.58Å; Q561-W614 HydrophobicContact CB-CZ3 3.98Å; Q561-W614 HydrophobicContact CG-CD2 3.76Å; Q561-W614 HydrophobicContact CG-CE3 3.79Å; Q561-W614 HydrophobicContact CG-CG 4.5Å; Q561-W614 HydrophobicContact CG-CH2 3.91Å; Q561-W614 HydrophobicContact CG-CZ2 3.85Å; Q561-W614 HydrophobicContact CG-CZ3 3.87Å; Q561-W614 WeakPolarHBondContact O-CH2 3.37Å; F564-W614 HydrophobicContact CB-CH2 4.46Å; F564-W614 HydrophobicContact CB-CZ3 4.22Å; F564-W614 HydrophobicContact CD1-CH2 4.28Å; F564-W614 AromaticContact CD1-CZ3 3.87Å; F564-W614 HydrophobicContact CD1-CZ3 3.87Å; F564-W614 HydrophobicContact CG-CZ3 4.29Å; G610-W614 WeakPolarHBondContact O-CB 3.3Å; G610-W614 PolarHBondContact O-N 3.35Å; G610-W614 VanDerWaalsContact O-N 3.15Å; R612-W614 VanDerWaalsContact C-N 3.35Å; R612-W614 PolarHBondContact O-N 2.92Å; W614-A616 VanDerWaalsContact C-N 3.32Å; W614-A616 PolarHBondContact O-N 2.93Å; W614-G617 PolarHBondContact O-N 2.74Å; W614-L618 HydrophobicContact CH2-CD2 3.64Å; W614-L618 HydrophobicContact CZ2-CD2 4.03Å; W614-L618 HydrophobicContact CZ3-CD2 4.27Å; W614-L618 PolarHBondContact O-N 2.9Å
615	A	94.4	Very high	83.3	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-64.7	-37.8	179.8	0	0	0	0	0	111.7	F564 L590 Q611 R612 L618 L619 L644	F564-A615 HydrophobicContact CE1-CB 3.94Å; F564-A615 HydrophobicContact CZ-CB 4.16Å; L590-A615 HydrophobicContact CD1-CB 3.52Å; Q611-A615 VanDerWaalsContact O-CB 3.28Å; Q611-A615 WeakPolarHBondContact O-CB 3.31Å; Q611-A615 PolarHBondContact O-N 3.37Å; R612-A615 PolarHBondContact O-N 3.46Å; A615-L618 PolarHBondContact O-N 3.37Å; A615-L619 WeakPolarHBondContact O-CB 3.39Å; A615-L619 VanDerWaalsContact O-CG 3.28Å; A615-L619 WeakPolarHBondContact O-CG 3.5Å; A615-L619 PolarHBondContact O-N 3.42Å; A615-L644 HydrophobicContact CB-CD1 4.41Å
616	A	93.6	Very high	83.9	Confident	0 Å²	0	59 Å²	59	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-61.8	-44.5	174.7	0	0	0	0	0	112.2	R612 V613 W614 L618 L619 Q620 L641 H646	R612-A616 WeakPolarHBondContact O-CB 3.43Å; R612-A616 PolarHBondContact O-N 3.46Å; V613-A616 PolarHBondContact O-N 3.12Å; W614-A616 VanDerWaalsContact C-N 3.32Å; W614-A616 PolarHBondContact O-N 2.93Å; A616-L618 PolarHBondContact O-N 3.42Å; A616-L619 PolarHBondContact O-N 3.23Å; A616-Q620 WeakPolarHBondContact O-CG 3.42Å; A616-Q620 PolarHBondContact O-N 3.18Å; A616-L641 HydrophobicContact CB-CD2 4.36Å; A616-H646 HydrophobicContact CB-CB 4.18Å; A616-H646 WeakPolarHBondContact CB-CD2 3.43Å
617	G	93.5	Very high	84.6	Confident	29 Å²	29	51.6 Å²	51.6	30%	0.299	33%	0.333	S	S	.	.	H	α-helix	trans	-58.7	-46.9	174.2	0	0	0	0	0	112.3	V613 W614 L619 Q620 D621	V613-G617 PolarHBondContact O-N 2.88Å; V613-G617 VanDerWaalsContact O-N 3.12Å; W614-G617 PolarHBondContact O-N 2.74Å; G617-L619 PolarHBondContact O-N 3.39Å; G617-Q620 PolarHBondContact O-N 2.94Å; G617-D621 PolarHBondContact O-N 2.97Å
618	L	94.1	Very high	85.3	Confident	27 Å²	27	51.9 Å²	51.9	14%	0.141	35%	0.346	C	S	.	.	H	α-helix	trans	-59.5	-43.6	176.2	178.4	64.5	0	0	0	112.4	F564 R565 L568 W614 A615 A616 D621 L622	F564-L618 HydrophobicContact CD1-CD2 4.19Å; R565-L618 HydrophobicContact CB-CD2 4.45Å; L568-L618 HydrophobicContact CD1-CD2 4.01Å; W614-L618 HydrophobicContact CH2-CD2 3.64Å; W614-L618 HydrophobicContact CZ2-CD2 4.03Å; W614-L618 HydrophobicContact CZ3-CD2 4.27Å; W614-L618 PolarHBondContact O-N 2.9Å; A615-L618 PolarHBondContact O-N 3.37Å; A616-L618 PolarHBondContact O-N 3.42Å; L618-D621 PolarHBondContact O-N 3.39Å; L618-L622 HydrophobicContact CG-CD1 4.39Å; L618-L622 WeakPolarHBondContact O-CG 3.29Å; L618-L622 PolarHBondContact O-N 3.18Å
619	L	94.4	Very high	86.7	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-69.5	-34.4	179.8	-69.9	165.5	0	0	0	112.1	L568 A615 A616 G617 L622 L623 V637 C640 L641 L644	L568-L619 HydrophobicContact CD1-CD2 3.91Å; L568-L619 HydrophobicContact CD2-CD2 3.91Å; A615-L619 WeakPolarHBondContact O-CB 3.39Å; A615-L619 VanDerWaalsContact O-CG 3.28Å; A615-L619 WeakPolarHBondContact O-CG 3.5Å; A615-L619 PolarHBondContact O-N 3.42Å; A616-L619 PolarHBondContact O-N 3.23Å; G617-L619 PolarHBondContact O-N 3.39Å; L619-L622 HydrophobicContact CD2-CD1 4.46Å; L619-L622 CarbonylContact O-C 3.52Å; L619-L622 WeakPolarHBondContact O-CB 3.41Å; L619-L622 PolarHBondContact O-N 2.86Å; L619-L623 PolarHBondContact O-N 3.07Å; L619-V637 HydrophobicContact CB-CG1 4.08Å; L619-V637 HydrophobicContact CD2-CG1 3.87Å; L619-V637 VanDerWaalsContact O-CG1 3.26Å; L619-V637 WeakPolarHBondContact O-CG1 3.41Å; L619-C640 HydrophobicContact CD1-CB 3.88Å; L619-C640 HydrophobicContact CD2-CB 4.01Å; L619-L641 HydrophobicContact CB-CD1 4.43Å; L619-L641 HydrophobicContact CB-CD2 3.77Å; L619-L641 HydrophobicContact CB-CG 3.92Å; L619-L641 HydrophobicContact CD1-CD2 4.24Å; L619-L641 HydrophobicContact CD1-CG 4.43Å; L619-L644 HydrophobicContact CD1-CD1 3.24Å
620	Q	92.8	Very high	87.6	Confident	62 Å²	62	45.6 Å²	45.6	29%	0.29	31%	0.306	S	S	.	.	H	α-helix	trans	-64.5	-41.1	173	-74.3	175.8	9.3	0	0	112	A616 G617 L622 L623 G624 L641 H646	A616-Q620 WeakPolarHBondContact O-CG 3.42Å; A616-Q620 PolarHBondContact O-N 3.18Å; G617-Q620 PolarHBondContact O-N 2.94Å; Q620-L622 PolarHBondContact O-N 3.39Å; Q620-L623 WeakPolarHBondContact O-CB 3.13Å; Q620-L623 PolarHBondContact O-N 2.95Å; Q620-G624 PolarHBondContact O-N 3.22Å; Q620-L641 HydrophobicContact CG-CD1 4.31Å; Q620-L641 HydrophobicContact CG-CD2 4.31Å; Q620-H646 PolarHBondContact NE2-CE1 3Å; Q620-H646 PolarHBondContact NE2-ND1 3.37Å
621	D	90.9	Very high	87.8	Confident	117 Å²	117	45.5 Å²	45.5	63%	0.626	30%	0.298	S	S	*	.	H	α-helix	trans	-62.5	-35.5	173.1	-67.5	-22.1	0	0	0	111.3	G617 L618 G624 S625	G617-D621 PolarHBondContact O-N 2.97Å; L618-D621 PolarHBondContact O-N 3.39Å; D621-G624 PolarHBondContact O-N 3.28Å; D621-S625 PolarHBondContact O-N 2.79Å; D621-S625 VanDerWaalsContact O-N 3.12Å; D621-S625 PolarHBondContact O-OG 3.28Å
622	L	91.2	Very high	87.9	Confident	30 Å²	30	43.8 Å²	43.8	16%	0.157	29%	0.29	C	S	.	.	H	α-helix	trans	-71.4	-27.3	174.8	-70.4	174.8	0	0	0	114	L568 L618 L619 Q620 G624 S625 V637	L568-L622 HydrophobicContact CB-CD1 4.49Å; L568-L622 HydrophobicContact CD1-CD1 3.87Å; L618-L622 HydrophobicContact CG-CD1 4.39Å; L618-L622 WeakPolarHBondContact O-CG 3.29Å; L618-L622 PolarHBondContact O-N 3.18Å; L619-L622 HydrophobicContact CD2-CD1 4.46Å; L619-L622 CarbonylContact O-C 3.52Å; L619-L622 WeakPolarHBondContact O-CB 3.41Å; L619-L622 PolarHBondContact O-N 2.86Å; Q620-L622 PolarHBondContact O-N 3.39Å; L622-G624 PolarHBondContact O-N 2.97Å; L622-S625 WeakPolarHBondContact CA-OG 3.16Å; L622-S625 PolarHBondContact O-N 2.94Å; L622-V637 HydrophobicContact CB-CG1 4.01Å; L622-V637 HydrophobicContact CB-CG2 4.49Å
623	L	88.6	Confident	87.7	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-33.3	171.6	-72	178.8	0	0	0	111.9	L619 Q620 V637 A638 L641 T669 T672	L619-L623 PolarHBondContact O-N 3.07Å; Q620-L623 WeakPolarHBondContact O-CB 3.13Å; Q620-L623 PolarHBondContact O-N 2.95Å; L623-V637 HydrophobicContact CD2-CB 4.03Å; L623-V637 HydrophobicContact CD2-CG1 3.85Å; L623-V637 HydrophobicContact CG-CG1 4.06Å; L623-A638 HydrophobicContact CD2-CB 4.07Å; L623-L641 HydrophobicContact CD1-CD1 3.41Å; L623-L641 VanDerWaalsContact CD1-CD1 3.41Å; L623-L641 HydrophobicContact CD2-CD1 4.46Å; L623-L641 HydrophobicContact CG-CD1 3.96Å; L623-T669 HydrophobicContact CB-CG2 3.88Å; L623-T669 HydrophobicContact CD1-CG2 3.94Å; L623-T672 HydrophobicContact CD2-CG2 3.55Å; L623-T672 PolarHBondContact O-OG1 2.89Å
624	G	83	Confident	87.6	Confident	36 Å²	36	38.6 Å²	38.6	37%	0.371	26%	0.262	S	S	.	.	H	α-helix	trans	-86.4	-19	179.7	0	0	0	0	0	114.3	Q620 D621 L622	Q620-G624 PolarHBondContact O-N 3.22Å; D621-G624 PolarHBondContact O-N 3.28Å; L622-G624 PolarHBondContact O-N 2.97Å
625	S	78.9	Confident	87.5	Confident	61 Å²	61	35.7 Å²	35.7	43%	0.427	25%	0.25	S	S	.	.			trans	-105.5	133.5	-178.8	52.5	0	0	0	0	112	D621 L622	D621-S625 PolarHBondContact O-N 2.79Å; D621-S625 VanDerWaalsContact O-N 3.12Å; D621-S625 PolarHBondContact O-OG 3.28Å; L622-S625 WeakPolarHBondContact CA-OG 3.16Å; L622-S625 PolarHBondContact O-N 2.94Å
626	G	71.8	Confident	87.4	Confident	61 Å²	61	35.8 Å²	35.8	63%	0.629	25%	0.251	S	S	*	.	S	Bend	trans	161.4	179.4	-178.5	0	0	0	0	0	113.6
627	G	71.6	Confident	87.4	Confident	55 Å²	55	36.1 Å²	36.1	57%	0.567	25%	0.253	S	S	*	.			trans	-68.3	172.6	177	0	0	0	0	0	113.4	V629 R668	G627-V629 PolarHBondContact O-N 3.49Å; G627-R668 VanDerWaalsContact O-CZ 3.24Å; G627-R668 PolarHBondContact O-NH1 2.95Å; G627-R668 PolarHBondContact O-NH2 2.96Å
628	A	78	Confident	87.4	Confident	82 Å²	82	34.8 Å²	34.8	68%	0.678	24%	0.239	S	C	*	.	S	Bend	trans	-59.7	-22.5	-175.9	0	0	0	0	0	114.8	R668 S701	A628-R668 PolarHBondContact O-NH1 3.21Å; A628-R668 VanDerWaalsContact O-NH1 3.16Å; A628-S701 WeakPolarHBondContact O-CA 3.36Å; A628-S701 VanDerWaalsContact O-CB 3.31Å; A628-S701 WeakPolarHBondContact O-CB 3.28Å
629	V	86.9	Confident	87.4	Confident	62 Å²	62	33.7 Å²	33.7	38%	0.376	23%	0.233	S	C	.	.	S	Bend	trans	-110.4	137.5	-177.1	-178.9	0	0	0	0	110.5	G627 S631 R668 P704	G627-V629 PolarHBondContact O-N 3.49Å; V629-S631 PolarHBondContact O-N 3.36Å; V629-R668 PolarHBondContact O-NH2 3.13Å; V629-P704 HydrophobicContact CG1-CG 3.69Å
630	V	89.8	Confident	87.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	23%	0.233	C	C	.	.			trans	-72.3	105.5	172.8	-178.3	0	0	0	0	108.1	V635 C671 A675 S701 L702 Q705	V630-V635 HydrophobicContact CG1-CG2 4.04Å; V630-C671 HydrophobicContact CG2-CB 3.92Å; V630-A675 HydrophobicContact CG1-CB 3.71Å; V630-S701 PolarHBondContact N-O 3.46Å; V630-L702 HydrophobicContact CG2-CD2 4.25Å; V630-Q705 HydrophobicContact CB-CG 4.1Å; V630-Q705 HydrophobicContact CG1-CG 4.03Å; V630-Q705 PolarHBondContact O-NE2 2.55Å
631	S	88.4	Confident	87.6	Confident	47 Å²	47	30.9 Å²	30.9	33%	0.329	22%	0.22	S	C	.	.			trans	-87.2	162.8	177.2	68.5	0	0	0	0	111.3	V629 R633 S634 V635	V629-S631 PolarHBondContact O-N 3.36Å; S631-R633 PolarHBondContact O-N 3.5Å; S631-R633 PolarHBondContact OG-N 3.01Å; S631-S634 WeakPolarHBondContact O-CB 3.35Å; S631-S634 PolarHBondContact O-N 3.46Å; S631-S634 PolarHBondContact OG-N 3.49Å; S631-S634 VanDerWaalsContact OG-N 3.11Å; S631-S634 PolarHBondContact OG-OG 3.25Å; S631-S634 VanDerWaalsContact OG-OG 3.11Å; S631-V635 PolarHBondContact O-N 3.19Å; S631-V635 VanDerWaalsContact O-N 3.08Å
632	L	87.9	Confident	87.7	Confident	7 Å²	7	27.7 Å²	27.7	4%	0.037	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-28.5	171.2	-74.7	-178.4	0	0	0	112.8	L175 E179 M183 A187 V635 N636	L175-L632 HydrophobicContact CD1-CD1 3.26Å; E179-L632 HydrophobicContact CB-CD1 4.22Å; E179-L632 HydrophobicContact CG-CD1 3.79Å; M183-L632 HydrophobicContact CE-CB 4.14Å; M183-L632 WeakPolarHBondContact CE-O 3.49Å; A187-L632 HydrophobicContact CB-CD1 4.5Å; L632-V635 CarbonylContact O-C 3.59Å; L632-V635 WeakPolarHBondContact O-CB 3.35Å; L632-V635 PolarHBondContact O-N 3Å; L632-N636 PolarHBondContact O-N 3.27Å
633	R	87.3	Confident	87.9	Confident	54 Å²	54	26.4 Å²	26.4	20%	0.204	20%	0.195	C	C	.	.	H	α-helix	trans	-66.1	-37.2	170.9	-61.1	-172.2	-164.3	141.5	16.8	113	Q572 A574 E575 S631 V635 N636 V637	Q572-R633 PolarHBondContact O-NH1 3.18Å; Q572-R633 VanDerWaalsContact O-NH1 3.13Å; A574-R633 PolarHBondContact O-NE 2.96Å; A574-R633 PolarHBondContact O-NH1 2.96Å; A574-R633 VanDerWaalsContact O-NH1 3.16Å; A574-R633 PolarHBondContact O-NH2 2.73Å; E575-R633 PolarHBondContact O-NH2 2.94Å; S631-R633 PolarHBondContact O-N 3.5Å; S631-R633 PolarHBondContact OG-N 3.01Å; R633-V635 VanDerWaalsContact C-N 3.32Å; R633-N636 WeakPolarHBondContact O-CB 3.46Å; R633-N636 PolarHBondContact O-N 3.44Å; R633-V637 PolarHBondContact O-N 3.42Å
634	S	89.2	Confident	88.1	Confident	18 Å²	18	26.4 Å²	26.4	13%	0.126	20%	0.195	C	C	.	.	H	α-helix	trans	-64.4	-41.6	172.3	-55.5	0	0	0	0	110.4	S631 N636 V637 T672	S631-S634 WeakPolarHBondContact O-CB 3.35Å; S631-S634 PolarHBondContact O-N 3.46Å; S631-S634 PolarHBondContact OG-N 3.49Å; S631-S634 VanDerWaalsContact OG-N 3.11Å; S631-S634 PolarHBondContact OG-OG 3.25Å; S631-S634 VanDerWaalsContact OG-OG 3.11Å; S634-N636 VanDerWaalsContact C-N 3.28Å; S634-N636 PolarHBondContact O-N 3.11Å; S634-V637 WeakPolarHBondContact O-CB 3.05Å; S634-V637 PolarHBondContact O-N 3.04Å; S634-T672 VanDerWaalsContact C-CG2 3.47Å; S634-T672 WeakPolarHBondContact O-CG2 3.45Å
635	V	91.6	Very high	88.5	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-34.6	173.8	178.3	0	0	0	0	111.5	V630 S631 L632 R633 V637 A638 Y639 A675 Y676	V630-V635 HydrophobicContact CG1-CG2 4.04Å; S631-V635 PolarHBondContact O-N 3.19Å; S631-V635 VanDerWaalsContact O-N 3.08Å; L632-V635 CarbonylContact O-C 3.59Å; L632-V635 WeakPolarHBondContact O-CB 3.35Å; L632-V635 PolarHBondContact O-N 3Å; R633-V635 VanDerWaalsContact C-N 3.32Å; V635-V637 PolarHBondContact O-N 3.16Å; V635-A638 WeakPolarHBondContact O-CA 3.42Å; V635-A638 VanDerWaalsContact O-CB 3.28Å; V635-A638 WeakPolarHBondContact O-CB 3.3Å; V635-A638 PolarHBondContact O-N 3.1Å; V635-Y639 HydrophobicContact CG1-CD2 4.05Å; V635-Y639 HydrophobicContact CG1-CE2 3.82Å; V635-Y639 WeakPolarHBondContact O-CD2 3.31Å; V635-Y639 PolarHBondContact O-N 3.16Å; V635-Y639 VanDerWaalsContact O-N 3.16Å; V635-A675 HydrophobicContact CG2-CB 3.58Å; V635-Y676 HydrophobicContact CG1-CD2 4.38Å
636	N	92.6	Very high	89.1	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-57.3	-33.5	175.8	-161.2	54.5	0	0	0	112.8	M183 D580 R584 L632 R633 S634 A638 Y639 C640	M183-N636 HydrophobicContact CE-CB 4.16Å; D580-N636 PolarHBondContact O-ND2 3.38Å; R584-N636 PolarHBondContact NE-OD1 3.24Å; R584-N636 PolarHBondContact NH2-OD1 2.99Å; L632-N636 PolarHBondContact O-N 3.27Å; R633-N636 WeakPolarHBondContact O-CB 3.46Å; R633-N636 PolarHBondContact O-N 3.44Å; S634-N636 VanDerWaalsContact C-N 3.28Å; S634-N636 PolarHBondContact O-N 3.11Å; N636-A638 VanDerWaalsContact C-N 3.3Å; N636-A638 PolarHBondContact O-N 3.48Å; N636-Y639 WeakPolarHBondContact O-CB 3.3Å; N636-Y639 PolarHBondContact O-N 3.34Å; N636-Y639 VanDerWaalsContact O-N 3.17Å; N636-C640 PolarHBondContact O-N 3.21Å; N636-C640 PolarHBondContact O-SG 3.43Å; N636-C640 VanDerWaalsContact O-SG 3.33Å
637	V	93.3	Very high	90	Very high	7 Å²	7	26.8 Å²	26.8	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-63.6	-36.7	174	179.4	0	0	0	0	111.3	L619 L622 L623 R633 S634 V635 C640 L641	L619-V637 HydrophobicContact CB-CG1 4.08Å; L619-V637 HydrophobicContact CD2-CG1 3.87Å; L619-V637 VanDerWaalsContact O-CG1 3.26Å; L619-V637 WeakPolarHBondContact O-CG1 3.41Å; L622-V637 HydrophobicContact CB-CG1 4.01Å; L622-V637 HydrophobicContact CB-CG2 4.49Å; L623-V637 HydrophobicContact CD2-CB 4.03Å; L623-V637 HydrophobicContact CD2-CG1 3.85Å; L623-V637 HydrophobicContact CG-CG1 4.06Å; R633-V637 PolarHBondContact O-N 3.42Å; S634-V637 WeakPolarHBondContact O-CB 3.05Å; S634-V637 PolarHBondContact O-N 3.04Å; V635-V637 PolarHBondContact O-N 3.16Å; V637-C640 WeakPolarHBondContact O-CB 3.35Å; V637-C640 PolarHBondContact O-N 3.23Å; V637-L641 PolarHBondContact O-N 3.02Å; V637-L641 VanDerWaalsContact O-N 3.08Å
638	A	94.2	Very high	91	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67.5	-36.7	173.5	0	0	0	0	0	111.7	L623 V635 N636 L641 Q642 L650 Y676	L623-A638 HydrophobicContact CD2-CB 4.07Å; V635-A638 WeakPolarHBondContact O-CA 3.42Å; V635-A638 VanDerWaalsContact O-CB 3.28Å; V635-A638 WeakPolarHBondContact O-CB 3.3Å; V635-A638 PolarHBondContact O-N 3.1Å; N636-A638 VanDerWaalsContact C-N 3.3Å; N636-A638 PolarHBondContact O-N 3.48Å; A638-L641 WeakPolarHBondContact O-CB 3.41Å; A638-L641 PolarHBondContact O-N 3.03Å; A638-Q642 PolarHBondContact O-N 3.09Å; A638-L650 HydrophobicContact CB-CD2 4Å; A638-Y676 HydrophobicContact CB-CD2 3.91Å; A638-Y676 HydrophobicContact CB-CG 3.8Å
639	Y	93.8	Very high	91.6	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.016	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-40.4	169.5	-79.4	-85.2	0	0	0	112.2	E186 I397 R584 V635 N636 L641 Q642 E643 Y676 V680	E186-Y639 PolarHBondContact OE2-OH 3.08Å; I397-Y639 HydrophobicContact CD1-CE1 4.41Å; R584-Y639 VanDerWaalsContact NH2-CG 3.27Å; V635-Y639 HydrophobicContact CG1-CD2 4.05Å; V635-Y639 HydrophobicContact CG1-CE2 3.82Å; V635-Y639 WeakPolarHBondContact O-CD2 3.31Å; V635-Y639 PolarHBondContact O-N 3.16Å; V635-Y639 VanDerWaalsContact O-N 3.16Å; N636-Y639 WeakPolarHBondContact O-CB 3.3Å; N636-Y639 PolarHBondContact O-N 3.34Å; N636-Y639 VanDerWaalsContact O-N 3.17Å; Y639-L641 VanDerWaalsContact C-N 3.28Å; Y639-L641 PolarHBondContact O-N 2.75Å; Y639-Q642 WeakPolarHBondContact O-CB 3.48Å; Y639-Q642 PolarHBondContact O-N 3.22Å; Y639-Q642 VanDerWaalsContact O-N 3.14Å; Y639-E643 WeakPolarHBondContact O-CG 3.44Å; Y639-E643 PolarHBondContact O-N 3.41Å; Y639-Y676 HydrophobicContact CD1-CD2 4.36Å; Y639-Y676 AromaticContact CD1-CE2 3.71Å; Y639-Y676 HydrophobicContact CD1-CE2 3.71Å; Y639-Y676 AromaticContact CD2-CD2 3.75Å; Y639-Y676 HydrophobicContact CD2-CD2 3.75Å; Y639-Y676 AromaticContact CD2-CE2 3.95Å; Y639-Y676 HydrophobicContact CD2-CE2 3.95Å; Y639-Y676 HydrophobicContact CE1-CD2 4.35Å; Y639-Y676 AromaticContact CE1-CE2 3.76Å; Y639-Y676 HydrophobicContact CE1-CE2 3.76Å; Y639-Y676 AromaticContact CE2-CD2 3.75Å; Y639-Y676 HydrophobicContact CE2-CD2 3.75Å; Y639-Y676 HydrophobicContact CE2-CE2 4Å; Y639-Y676 HydrophobicContact CG-CD2 4.08Å; Y639-Y676 AromaticContact CG-CE2 3.81Å; Y639-Y676 HydrophobicContact CG-CE2 3.81Å; Y639-Y676 AromaticContact CZ-CE2 3.91Å; Y639-V680 HydrophobicContact CE1-CG1 3.84Å; Y639-V680 VanDerWaalsContact OH-CG1 3.25Å; Y639-V680 WeakPolarHBondContact OH-CG1 3.24Å
640	C	95.5	Very high	91.8	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.007	13%	0.126	C	C	.	.	H	α-helix	trans	-60.2	-38.1	173.7	-65.1	0	0	0	0	112.2	A587 L619 N636 V637 E643 L644	A587-C640 HydrophobicContact CB-CB 3.83Å; L619-C640 HydrophobicContact CD1-CB 3.88Å; L619-C640 HydrophobicContact CD2-CB 4.01Å; N636-C640 PolarHBondContact O-N 3.21Å; N636-C640 PolarHBondContact O-SG 3.43Å; N636-C640 VanDerWaalsContact O-SG 3.33Å; V637-C640 WeakPolarHBondContact O-CB 3.35Å; V637-C640 PolarHBondContact O-N 3.23Å; C640-E643 PolarHBondContact O-N 2.96Å; C640-L644 WeakPolarHBondContact O-CB 3.27Å; C640-L644 WeakPolarHBondContact O-CG 3.26Å; C640-L644 PolarHBondContact O-N 3Å
641	L	94.8	Very high	91.9	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-67.2	-38	173.8	-74.9	168.2	0	0	0	112.4	A616 L619 Q620 L623 V637 A638 Y639 L644 Q645 H646	A616-L641 HydrophobicContact CB-CD2 4.36Å; L619-L641 HydrophobicContact CB-CD1 4.43Å; L619-L641 HydrophobicContact CB-CD2 3.77Å; L619-L641 HydrophobicContact CB-CG 3.92Å; L619-L641 HydrophobicContact CD1-CD2 4.24Å; L619-L641 HydrophobicContact CD1-CG 4.43Å; Q620-L641 HydrophobicContact CG-CD1 4.31Å; Q620-L641 HydrophobicContact CG-CD2 4.31Å; L623-L641 HydrophobicContact CD1-CD1 3.41Å; L623-L641 VanDerWaalsContact CD1-CD1 3.41Å; L623-L641 HydrophobicContact CD2-CD1 4.46Å; L623-L641 HydrophobicContact CG-CD1 3.96Å; V637-L641 PolarHBondContact O-N 3.02Å; V637-L641 VanDerWaalsContact O-N 3.08Å; A638-L641 WeakPolarHBondContact O-CB 3.41Å; A638-L641 PolarHBondContact O-N 3.03Å; Y639-L641 VanDerWaalsContact C-N 3.28Å; Y639-L641 PolarHBondContact O-N 2.75Å; L641-L644 CarbonylContact O-C 3.53Å; L641-L644 PolarHBondContact O-N 2.89Å; L641-Q645 PolarHBondContact O-N 3.42Å; L641-Q645 VanDerWaalsContact O-N 3.14Å; L641-H646 HydrophobicContact CD2-CB 4.24Å; L641-H646 PolarHBondContact O-N 3.33Å
642	Q	93.2	Very high	92.1	Very high	50 Å²	50	31.1 Å²	31.1	23%	0.234	15%	0.152	C	C	.	.	H	α-helix	trans	-61.8	-44.9	172.3	-179.2	68.1	13.6	0	0	111.7	I397 A638 Y639 L644 Q645 Y676	I397-Q642 HydrophobicContact CD1-CG 4.31Å; A638-Q642 PolarHBondContact O-N 3.09Å; Y639-Q642 WeakPolarHBondContact O-CB 3.48Å; Y639-Q642 PolarHBondContact O-N 3.22Å; Y639-Q642 VanDerWaalsContact O-N 3.14Å; Q642-L644 VanDerWaalsContact C-N 3.31Å; Q642-L644 PolarHBondContact O-N 3.46Å; Q642-Q645 WeakPolarHBondContact O-CA 3.36Å; Q642-Q645 PolarHBondContact O-N 3.03Å; Q642-Y676 VanDerWaalsContact CG-OH 3.31Å; Q642-Y676 WeakPolarHBondContact CG-OH 3.48Å
643	E	94.9	Very high	92.4	Very high	3 Å²	3	30.8 Å²	30.8	1%	0.014	15%	0.15	C	C	.	.	H	α-helix	trans	-64	-35	176.2	-70.6	-66.2	135.4	0	0	112.2	T430 C431 T432 R584 Y639 C640 Q645	T430-E643 WeakPolarHBondContact CB-OE2 3.48Å; C431-E643 WeakPolarHBondContact CB-OE1 3.36Å; C431-E643 PolarHBondContact N-OE1 3.34Å; C431-E643 PolarHBondContact N-OE2 2.97Å; T432-E643 WeakPolarHBondContact CB-OE2 3.04Å; T432-E643 PolarHBondContact N-OE2 3.49Å; T432-E643 PolarHBondContact OG1-OE2 3Å; R584-E643 HydrophobicContact CB-CG 4.37Å; Y639-E643 WeakPolarHBondContact O-CG 3.44Å; Y639-E643 PolarHBondContact O-N 3.41Å; C640-E643 PolarHBondContact O-N 2.96Å; E643-Q645 PolarHBondContact O-N 3.07Å
644	L	93.1	Very high	92.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-6.4	169.9	-77.2	168.2	0	0	0	113.8	A587 L590 R612 A615 L619 C640 L641 Q642 H646	A587-L644 HydrophobicContact CB-CD1 4.3Å; A587-L644 HydrophobicContact CB-CG 4.11Å; A587-L644 WeakPolarHBondContact O-CD2 3.43Å; L590-L644 HydrophobicContact CB-CD2 3.68Å; L590-L644 HydrophobicContact CD1-CD2 4.13Å; L590-L644 HydrophobicContact CG-CD2 4.45Å; R612-L644 HydrophobicContact CG-CD2 3.99Å; R612-L644 VanDerWaalsContact CZ-O 3.24Å; R612-L644 PolarHBondContact NE-O 3.41Å; R612-L644 PolarHBondContact NH2-O 3.11Å; A615-L644 HydrophobicContact CB-CD1 4.41Å; L619-L644 HydrophobicContact CD1-CD1 3.24Å; C640-L644 WeakPolarHBondContact O-CB 3.27Å; C640-L644 WeakPolarHBondContact O-CG 3.26Å; C640-L644 PolarHBondContact O-N 3Å; L641-L644 CarbonylContact O-C 3.53Å; L641-L644 PolarHBondContact O-N 2.89Å; Q642-L644 VanDerWaalsContact C-N 3.31Å; Q642-L644 PolarHBondContact O-N 3.46Å; L644-H646 HydrophobicContact CB-CB 4.39Å; L644-H646 PolarHBondContact O-N 2.77Å
645	Q	91.1	Very high	92.7	Very high	76 Å²	76	33.3 Å²	33.3	36%	0.355	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	38.7	-170.5	-53.5	-178.8	2.5	0	0	112.8	T430 E433 R612 L641 Q642 E643	T430-Q645 HydrophobicContact CG2-CG 4.17Å; E433-Q645 PolarHBondContact OE1-NE2 3.15Å; R612-Q645 PolarHBondContact NH2-O 3.34Å; L641-Q645 PolarHBondContact O-N 3.42Å; L641-Q645 VanDerWaalsContact O-N 3.14Å; Q642-Q645 WeakPolarHBondContact O-CA 3.36Å; Q642-Q645 PolarHBondContact O-N 3.03Å; E643-Q645 PolarHBondContact O-N 3.07Å
646	H	92.4	Very high	92.6	Very high	50 Å²	50	34.4 Å²	34.4	23%	0.231	17%	0.168	C	C	.	.			trans	-109.8	81.4	175.5	-165	-51.3	0	0	0	108.7	A616 Q620 L641 L644 E648	A616-H646 HydrophobicContact CB-CB 4.18Å; A616-H646 WeakPolarHBondContact CB-CD2 3.43Å; Q620-H646 PolarHBondContact NE2-CE1 3Å; Q620-H646 PolarHBondContact NE2-ND1 3.37Å; L641-H646 HydrophobicContact CD2-CB 4.24Å; L641-H646 PolarHBondContact O-N 3.33Å; L644-H646 HydrophobicContact CB-CB 4.39Å; L644-H646 PolarHBondContact O-N 2.77Å; H646-E648 VanDerWaalsContact C-OE2 3.23Å; H646-E648 IonicContact CE1-OE2 3.31Å; H646-E648 PolarHBondContact CE1-OE2 3.48Å; H646-E648 IonicContact CG-OE2 3.48Å; H646-E648 IonicContact ND1-OE2 2.72Å; H646-E648 PolarHBondContact ND1-OE2 3.19Å; H646-E648 IonicContact NE2-OE2 3.01Å
647	T	91.2	Very high	92.4	Very high	40 Å²	40	34.8 Å²	34.8	25%	0.245	17%	0.17	C	C	.	.			trans	-110.2	7.3	-160.2	61.2	0	0	0	0	114.9	V649 L650 R651	T647-V649 PolarHBondContact O-N 3.47Å; T647-L650 WeakPolarHBondContact O-CB 3.4Å; T647-L650 PolarHBondContact O-N 3.08Å; T647-L650 VanDerWaalsContact O-N 3.08Å; T647-R651 PolarHBondContact O-N 3.2Å
648	E	91.9	Very high	92	Very high	109 Å²	109	42 Å²	42	51%	0.509	20%	0.196	S	C	.	.	H	α-helix	trans	-58.1	-46.8	-171.9	-63.3	79.5	179.3	0	0	112.1	H646 R651 S652	H646-E648 VanDerWaalsContact C-OE2 3.23Å; H646-E648 IonicContact CE1-OE2 3.31Å; H646-E648 PolarHBondContact CE1-OE2 3.48Å; H646-E648 IonicContact CG-OE2 3.48Å; H646-E648 IonicContact ND1-OE2 2.72Å; H646-E648 PolarHBondContact ND1-OE2 3.19Å; H646-E648 IonicContact NE2-OE2 3.01Å; E648-R651 PolarHBondContact O-N 3.12Å; E648-S652 WeakPolarHBondContact O-CB 3.38Å; E648-S652 PolarHBondContact O-N 3.43Å
649	V	90.5	Very high	91.6	Very high	40 Å²	40	47.3 Å²	47.3	24%	0.242	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-40.9	177.4	177.3	0	0	0	0	110.9	T647 S652 V653 T669 A673	T647-V649 PolarHBondContact O-N 3.47Å; V649-S652 PolarHBondContact O-N 3.44Å; V649-V653 VanDerWaalsContact O-CG2 3.29Å; V649-V653 WeakPolarHBondContact O-CG2 3.26Å; V649-V653 PolarHBondContact O-N 3.37Å; V649-T669 HydrophobicContact CG1-CG2 3.91Å; V649-A673 HydrophobicContact CG1-CB 4.38Å
650	L	91.4	Very high	91	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-65.1	-46.1	-179.9	-53.1	177.6	0	0	0	110.6	A638 T647 V653 E654 A673 Y676	A638-L650 HydrophobicContact CB-CD2 4Å; T647-L650 WeakPolarHBondContact O-CB 3.4Å; T647-L650 PolarHBondContact O-N 3.08Å; T647-L650 VanDerWaalsContact O-N 3.08Å; L650-V653 PolarHBondContact O-N 2.88Å; L650-E654 PolarHBondContact O-N 3.39Å; L650-A673 HydrophobicContact CD2-CB 3.86Å; L650-Y676 HydrophobicContact CD1-CD1 4.07Å; L650-Y676 HydrophobicContact CD1-CE1 3.7Å; L650-Y676 HydrophobicContact CD2-CD1 3.89Å; L650-Y676 HydrophobicContact CD2-CE1 4.37Å; L650-Y676 HydrophobicContact CD2-CG 4.45Å; L650-Y676 HydrophobicContact CG-CD1 4.4Å; L650-Y676 HydrophobicContact CG-CE1 4.41Å
651	R	92.3	Very high	90.2	Very high	129 Å²	129	50.8 Å²	50.8	49%	0.487	27%	0.269	S	S	.	.	H	α-helix	trans	-62	-43.5	175.4	-109.1	-177.1	49.3	66.4	14	112.2	T647 E648 V653 E654 E655	T647-R651 PolarHBondContact O-N 3.2Å; E648-R651 PolarHBondContact O-N 3.12Å; R651-V653 VanDerWaalsContact C-N 3.34Å; R651-V653 PolarHBondContact O-N 3.05Å; R651-E654 PolarHBondContact O-N 2.87Å; R651-E655 IonicContact CZ-OE1 2.73Å; R651-E655 IonicContact NH1-OE1 3.49Å; R651-E655 PolarHBondContact NH1-OE1 3.13Å; R651-E655 IonicContact NH2-OE1 2.84Å; R651-E655 PolarHBondContact NH2-OE1 2.86Å; R651-E655 IonicContact NH2-OE2 2.81Å; R651-E655 PolarHBondContact NH2-OE2 3.37Å; R651-E655 WeakPolarHBondContact O-CB 3.32Å; R651-E655 WeakPolarHBondContact O-CG 3.38Å; R651-E655 PolarHBondContact O-N 3.25Å
652	S	92.7	Very high	89.5	Confident	53 Å²	53	50.7 Å²	50.7	37%	0.371	27%	0.269	S	S	.	.	H	α-helix	trans	-61.9	-42.7	179.2	-174.8	0	0	0	0	111.7	E648 V649 E655 D656	E648-S652 WeakPolarHBondContact O-CB 3.38Å; E648-S652 PolarHBondContact O-N 3.43Å; V649-S652 PolarHBondContact O-N 3.44Å; S652-E655 PolarHBondContact O-N 3.1Å; S652-D656 WeakPolarHBondContact O-CB 3.43Å; S652-D656 PolarHBondContact O-N 3.26Å
653	V	92.8	Very high	88.6	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-68.6	-37.9	178.3	174.4	0	0	0	0	111.1	V649 L650 R651 D656 L657 L662 H670 A673 L674 L677	V649-V653 VanDerWaalsContact O-CG2 3.29Å; V649-V653 WeakPolarHBondContact O-CG2 3.26Å; V649-V653 PolarHBondContact O-N 3.37Å; L650-V653 PolarHBondContact O-N 2.88Å; R651-V653 VanDerWaalsContact C-N 3.34Å; R651-V653 PolarHBondContact O-N 3.05Å; V653-D656 PolarHBondContact O-N 3.01Å; V653-L657 WeakPolarHBondContact O-CB 3.47Å; V653-L657 PolarHBondContact O-N 3.28Å; V653-L662 HydrophobicContact CG1-CD2 4.09Å; V653-H670 HydrophobicContact CG2-CB 4.35Å; V653-A673 HydrophobicContact CB-CB 4.17Å; V653-A673 HydrophobicContact CG1-CB 4.26Å; V653-A673 HydrophobicContact CG2-CB 3.83Å; V653-L674 HydrophobicContact CG1-CB 4.16Å; V653-L677 HydrophobicContact CB-CD1 4.03Å; V653-L677 HydrophobicContact CG1-CD1 3.75Å
654	E	92.3	Very high	87.3	Confident	39 Å²	39	62 Å²	62	18%	0.182	32%	0.315	C	S	.	.	H	α-helix	trans	-64.1	-44.8	175.3	-175.4	169.6	-155.3	0	0	111.9	L650 R651 L657 R658 L677 S681	L650-E654 PolarHBondContact O-N 3.39Å; R651-E654 PolarHBondContact O-N 2.87Å; E654-L657 PolarHBondContact O-N 3.35Å; E654-R658 WeakPolarHBondContact O-CG 3.26Å; E654-R658 PolarHBondContact O-N 3.31Å; E654-R658 IonicContact OE1-CZ 3.55Å; E654-R658 IonicContact OE1-NE 3.88Å; E654-R658 IonicContact OE1-NH2 3.51Å; E654-R658 PolarHBondContact OE1-NH2 2.85Å; E654-L677 HydrophobicContact CB-CD1 3.71Å; E654-L677 HydrophobicContact CB-CD2 3.96Å; E654-L677 HydrophobicContact CB-CG 4.49Å; E654-L677 HydrophobicContact CG-CD2 4.35Å; E654-S681 PolarHBondContact OE1-OG 3.11Å
655	E	90.7	Very high	86.4	Confident	86 Å²	86	66.5 Å²	66.5	40%	0.402	34%	0.335	S	S	.	.	H	α-helix	trans	-63	-45.2	175.3	-74.2	176.5	171.5	0	0	111.6	R651 S652 L657 R658 C659	R651-E655 IonicContact CZ-OE1 2.73Å; R651-E655 IonicContact NH1-OE1 3.49Å; R651-E655 PolarHBondContact NH1-OE1 3.13Å; R651-E655 IonicContact NH2-OE1 2.84Å; R651-E655 PolarHBondContact NH2-OE1 2.86Å; R651-E655 IonicContact NH2-OE2 2.81Å; R651-E655 PolarHBondContact NH2-OE2 3.37Å; R651-E655 WeakPolarHBondContact O-CB 3.32Å; R651-E655 WeakPolarHBondContact O-CG 3.38Å; R651-E655 PolarHBondContact O-N 3.25Å; S652-E655 PolarHBondContact O-N 3.1Å; E655-L657 VanDerWaalsContact C-N 3.31Å; E655-L657 PolarHBondContact O-N 3.22Å; E655-R658 PolarHBondContact O-N 3.36Å; E655-C659 WeakPolarHBondContact O-CB 3.46Å; E655-C659 PolarHBondContact O-N 3.33Å; E655-C659 PolarHBondContact O-SG 2.62Å; E655-C659 VanDerWaalsContact O-SG 3.4Å
656	D	89.7	Confident	86.1	Confident	23 Å²	23	64 Å²	64	12%	0.123	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-36.8	175.8	-84.3	-30.7	0	0	0	111.6	S652 V653 G660 G661 L662 K665	S652-D656 WeakPolarHBondContact O-CB 3.43Å; S652-D656 PolarHBondContact O-N 3.26Å; V653-D656 PolarHBondContact O-N 3.01Å; D656-G660 CarbonylContact O-C 3.31Å; D656-G660 PolarHBondContact O-N 3.27Å; D656-G661 PolarHBondContact O-N 3.44Å; D656-L662 HydrophobicContact CB-CD2 3.97Å; D656-L662 HydrophobicContact CB-CG 4.02Å; D656-K665 VanDerWaalsContact CG-NZ 3.31Å; D656-K665 IonicContact OD1-NZ 3.66Å; D656-K665 PolarHBondContact OD1-NZ 3.22Å; D656-K665 WeakPolarHBondContact OD2-CD 3.41Å; D656-K665 IonicContact OD2-NZ 3.93Å; D656-K665 PolarHBondContact OD2-NZ 3.11Å
657	L	88.4	Confident	85.9	Confident	12 Å²	12	65.1 Å²	65.1	6%	0.063	33%	0.334	C	S	.	.	H	α-helix	trans	-65.4	-45	175.4	-177.2	63.2	0	0	0	111.4	V653 E654 E655 G660 L662 L674 C684 T688 N689 L690	V653-L657 WeakPolarHBondContact O-CB 3.47Å; V653-L657 PolarHBondContact O-N 3.28Å; E654-L657 PolarHBondContact O-N 3.35Å; E655-L657 VanDerWaalsContact C-N 3.31Å; E655-L657 PolarHBondContact O-N 3.22Å; L657-G660 PolarHBondContact O-N 3.13Å; L657-L662 HydrophobicContact CB-CD1 3.7Å; L657-L662 HydrophobicContact CB-CG 4.38Å; L657-L662 HydrophobicContact CD1-CD1 3.39Å; L657-L662 HydrophobicContact CG-CD1 4.1Å; L657-L674 HydrophobicContact CD1-CD1 4.44Å; L657-L674 HydrophobicContact CD2-CD1 3.92Å; L657-C684 HydrophobicContact CD2-CB 3.64Å; L657-T688 HydrophobicContact CD1-CG2 4.18Å; L657-N689 WeakPolarHBondContact CD1-O 3.27Å; L657-L690 HydrophobicContact CD1-CD2 4.15Å
658	R	85.6	Confident	85.7	Confident	158 Å²	158	65.5 Å²	65.5	60%	0.596	33%	0.331	S	S	*	.	H	α-helix	trans	-66.2	-37.6	179.7	-71.3	176.4	-174.8	-170.9	3.2	112.4	E654 E655	E654-R658 WeakPolarHBondContact O-CG 3.26Å; E654-R658 PolarHBondContact O-N 3.31Å; E654-R658 IonicContact OE1-CZ 3.55Å; E654-R658 IonicContact OE1-NE 3.88Å; E654-R658 IonicContact OE1-NH2 3.51Å; E654-R658 PolarHBondContact OE1-NH2 2.85Å; E655-R658 PolarHBondContact O-N 3.36Å
659	C	84.3	Confident	85.6	Confident	111 Å²	111	61.9 Å²	61.9	75%	0.75	32%	0.317	S	S	*	.	H	α-helix	trans	-88.5	-3	-179.1	-65.3	0	0	0	0	113.7	E655 G661	E655-C659 WeakPolarHBondContact O-CB 3.46Å; E655-C659 PolarHBondContact O-N 3.33Å; E655-C659 PolarHBondContact O-SG 2.62Å; E655-C659 VanDerWaalsContact O-SG 3.4Å; C659-G661 VanDerWaalsContact C-N 3.26Å; C659-G661 PolarHBondContact O-N 3.03Å
660	G	81.9	Confident	85.7	Confident	50 Å²	50	61.9 Å²	61.9	52%	0.515	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	21.6	-174.2	0	0	0	0	0	114.1	D656 L657	D656-G660 CarbonylContact O-C 3.31Å; D656-G660 PolarHBondContact O-N 3.27Å; L657-G660 PolarHBondContact O-N 3.13Å
661	G	79.6	Confident	85.7	Confident	28 Å²	28	61.8 Å²	61.8	29%	0.289	31%	0.314	S	S	.	.			trans	-87.3	2.6	-178.2	0	0	0	0	0	115.5	D656 C659 G663	D656-G661 PolarHBondContact O-N 3.44Å; C659-G661 VanDerWaalsContact C-N 3.26Å; C659-G661 PolarHBondContact O-N 3.03Å; G661-G663 VanDerWaalsContact C-N 3.31Å; G661-G663 PolarHBondContact O-N 3.18Å
662	L	80.3	Confident	85.8	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.01	29%	0.291	C	S	.	.			trans	-67.7	-22.6	-175.2	-82.8	172.4	0	0	0	115.3	V653 D656 L657 K665 L666 L690	V653-L662 HydrophobicContact CG1-CD2 4.09Å; D656-L662 HydrophobicContact CB-CD2 3.97Å; D656-L662 HydrophobicContact CB-CG 4.02Å; L657-L662 HydrophobicContact CB-CD1 3.7Å; L657-L662 HydrophobicContact CB-CG 4.38Å; L657-L662 HydrophobicContact CD1-CD1 3.39Å; L657-L662 HydrophobicContact CG-CD1 4.1Å; L662-K665 PolarHBondContact O-N 3.01Å; L662-L666 HydrophobicContact CB-CD1 4.34Å; L662-L690 HydrophobicContact CD1-CD2 3.94Å
663	G	72.5	Confident	85.8	Confident	19 Å²	19	53.1 Å²	53.1	20%	0.196	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-25.5	-106.2	-171.2	0	0	0	0	0	117.3	G661 K665 C693	G661-G663 VanDerWaalsContact C-N 3.31Å; G661-G663 PolarHBondContact O-N 3.18Å; G663-K665 PolarHBondContact O-N 2.79Å; G663-C693 VanDerWaalsContact CA-SG 3.57Å; G663-C693 PolarHBondContact N-SG 3.33Å
664	W	68.1	Low	85.8	Confident	270 Å²	270	53.1 Å²	53.1	100%	1.023	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-67.8	7.2	-177.7	-50.8	98.7	0	0	0	114.4
665	K	75.3	Confident	85.8	Confident	95 Å²	95	51.3 Å²	51.3	41%	0.413	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-99.6	-4.7	-174.2	-59.4	-175.6	-172.1	172.6	0	113.6	D656 L662 G663 T667 H670	D656-K665 VanDerWaalsContact CG-NZ 3.31Å; D656-K665 IonicContact OD1-NZ 3.66Å; D656-K665 PolarHBondContact OD1-NZ 3.22Å; D656-K665 WeakPolarHBondContact OD2-CD 3.41Å; D656-K665 IonicContact OD2-NZ 3.93Å; D656-K665 PolarHBondContact OD2-NZ 3.11Å; L662-K665 PolarHBondContact O-N 3.01Å; G663-K665 PolarHBondContact O-N 2.79Å; K665-T667 PolarHBondContact O-N 3.32Å; K665-H670 PolarHBondContact O-CD2 3.26Å; K665-H670 PolarHBondContact O-CE1 3.01Å; K665-H670 PolarHBondContact O-ND1 3.13Å; K665-H670 PolarHBondContact O-NE2 3.36Å
666	L	83.6	Confident	85.9	Confident	23 Å²	23	47.6 Å²	47.6	12%	0.12	25%	0.247	C	C	.	.			trans	-69.5	70	-175.6	-95.7	147.3	0	0	0	113.8	L662 H670 L674 C693 L694 T698 L702	L662-L666 HydrophobicContact CB-CD1 4.34Å; L666-H670 HydrophobicContact CD2-CB 4.49Å; L666-L674 HydrophobicContact CD2-CD2 4.39Å; L666-C693 HydrophobicContact CD1-CB 3.54Å; L666-C693 VanDerWaalsContact CD1-O 3.26Å; L666-C693 WeakPolarHBondContact CD1-O 3.48Å; L666-L694 HydrophobicContact CD1-CD2 4.03Å; L666-T698 HydrophobicContact CB-CG2 4.46Å; L666-T698 HydrophobicContact CD2-CG2 4.31Å; L666-L702 HydrophobicContact CD2-CD1 4.37Å
667	T	88.4	Confident	86	Confident	74 Å²	74	46.7 Å²	46.7	45%	0.454	24%	0.242	S	C	.	.			trans	-74.1	172.6	166.6	78.3	0	0	0	0	110.5	K665 T669 H670 C671	K665-T667 PolarHBondContact O-N 3.32Å; T667-T669 VanDerWaalsContact C-N 3.28Å; T667-T669 PolarHBondContact O-N 2.96Å; T667-T669 PolarHBondContact OG1-N 3.06Å; T667-H670 WeakPolarHBondContact O-CB 3.41Å; T667-H670 PolarHBondContact O-N 2.73Å; T667-H670 VanDerWaalsContact O-N 3.08Å; T667-H670 PolarHBondContact OG1-ND1 3.05Å; T667-C671 PolarHBondContact O-N 3.05Å; T667-C671 PolarHBondContact O-SG 3.1Å
668	R	88.1	Confident	86.1	Confident	48 Å²	48	46.1 Å²	46.1	18%	0.181	24%	0.239	C	C	.	.	H	α-helix	trans	-57.5	-41.4	177	-175.9	59.3	-175.8	-153.2	-8.4	112.9	G627 A628 V629 H670 C671 T672 S701	G627-R668 VanDerWaalsContact O-CZ 3.24Å; G627-R668 PolarHBondContact O-NH1 2.95Å; G627-R668 PolarHBondContact O-NH2 2.96Å; A628-R668 PolarHBondContact O-NH1 3.21Å; A628-R668 VanDerWaalsContact O-NH1 3.16Å; V629-R668 PolarHBondContact O-NH2 3.13Å; R668-H670 VanDerWaalsContact C-N 3.32Å; R668-H670 PolarHBondContact O-N 3.5Å; R668-C671 WeakPolarHBondContact O-CB 3.3Å; R668-C671 PolarHBondContact O-N 3.13Å; R668-T672 PolarHBondContact O-N 3.04Å; R668-T672 PolarHBondContact O-OG1 2.81Å; R668-S701 PolarHBondContact NH1-OG 2.85Å
669	T	90.1	Very high	86.1	Confident	34 Å²	34	38.8 Å²	38.8	21%	0.209	21%	0.212	C	C	.	.	H	α-helix	trans	-58.4	-44.3	175.2	-51	0	0	0	0	111.3	L623 V649 T667 T672 A673	L623-T669 HydrophobicContact CB-CG2 3.88Å; L623-T669 HydrophobicContact CD1-CG2 3.94Å; V649-T669 HydrophobicContact CG1-CG2 3.91Å; T667-T669 VanDerWaalsContact C-N 3.28Å; T667-T669 PolarHBondContact O-N 2.96Å; T667-T669 PolarHBondContact OG1-N 3.06Å; T669-T672 PolarHBondContact O-N 3.09Å; T669-A673 WeakPolarHBondContact O-CB 3.35Å; T669-A673 PolarHBondContact O-N 3.45Å
670	H	91.3	Very high	86.2	Confident	40 Å²	40	34.7 Å²	34.7	19%	0.185	18%	0.183	C	C	.	.	H	α-helix	trans	-64.9	-39.3	176.8	-64	79.3	0	0	0	111.4	V653 K665 L666 T667 R668 A673 L674	V653-H670 HydrophobicContact CG2-CB 4.35Å; K665-H670 PolarHBondContact O-CD2 3.26Å; K665-H670 PolarHBondContact O-CE1 3.01Å; K665-H670 PolarHBondContact O-ND1 3.13Å; K665-H670 PolarHBondContact O-NE2 3.36Å; L666-H670 HydrophobicContact CD2-CB 4.49Å; T667-H670 WeakPolarHBondContact O-CB 3.41Å; T667-H670 PolarHBondContact O-N 2.73Å; T667-H670 VanDerWaalsContact O-N 3.08Å; T667-H670 PolarHBondContact OG1-ND1 3.05Å; R668-H670 VanDerWaalsContact C-N 3.32Å; R668-H670 PolarHBondContact O-N 3.5Å; H670-A673 PolarHBondContact O-N 3.35Å; H670-L674 WeakPolarHBondContact O-CB 3.02Å; H670-L674 PolarHBondContact O-N 2.88Å
671	C	92.6	Very high	86.3	Confident	4 Å²	4	32.5 Å²	32.5	3%	0.027	16%	0.16	C	C	.	.	H	α-helix	trans	-62.5	-44.1	176.1	-64.9	0	0	0	0	112.1	V630 T667 R668 L674 A675 L702	V630-C671 HydrophobicContact CG2-CB 3.92Å; T667-C671 PolarHBondContact O-N 3.05Å; T667-C671 PolarHBondContact O-SG 3.1Å; R668-C671 WeakPolarHBondContact O-CB 3.3Å; R668-C671 PolarHBondContact O-N 3.13Å; C671-L674 PolarHBondContact O-N 2.67Å; C671-A675 WeakPolarHBondContact O-CB 3.45Å; C671-A675 PolarHBondContact O-N 3.29Å; C671-L702 HydrophobicContact CB-CD1 4.48Å; C671-L702 HydrophobicContact CB-CD2 3.82Å; C671-L702 HydrophobicContact CB-CG 4.14Å; C671-L702 WeakPolarHBondContact O-CD2 3.44Å
672	T	93.2	Very high	86.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67	-41.7	178.1	-52.5	0	0	0	0	111.4	L623 S634 R668 T669 A675 Y676	L623-T672 HydrophobicContact CD2-CG2 3.55Å; L623-T672 PolarHBondContact O-OG1 2.89Å; S634-T672 VanDerWaalsContact C-CG2 3.47Å; S634-T672 WeakPolarHBondContact O-CG2 3.45Å; R668-T672 PolarHBondContact O-N 3.04Å; R668-T672 PolarHBondContact O-OG1 2.81Å; T669-T672 PolarHBondContact O-N 3.09Å; T672-A675 PolarHBondContact O-N 3.38Å; T672-Y676 PolarHBondContact O-N 3.49Å
673	A	93.4	Very high	86.7	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.1	-41.4	174.7	0	0	0	0	0	112.3	V649 L650 V653 T669 H670 Y676 L677	V649-A673 HydrophobicContact CG1-CB 4.38Å; L650-A673 HydrophobicContact CD2-CB 3.86Å; V653-A673 HydrophobicContact CB-CB 4.17Å; V653-A673 HydrophobicContact CG1-CB 4.26Å; V653-A673 HydrophobicContact CG2-CB 3.83Å; T669-A673 WeakPolarHBondContact O-CB 3.35Å; T669-A673 PolarHBondContact O-N 3.45Å; H670-A673 PolarHBondContact O-N 3.35Å; A673-Y676 WeakPolarHBondContact O-CB 3.32Å; A673-Y676 PolarHBondContact O-N 3.31Å; A673-L677 WeakPolarHBondContact O-CG 3.43Å; A673-L677 PolarHBondContact O-N 3.32Å
674	L	93.1	Very high	87.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.9	-46.2	173.5	175.3	63.1	0	0	0	110.6	V653 L657 L666 H670 C671 Y676 L677 L678 L690 L702	V653-L674 HydrophobicContact CG1-CB 4.16Å; L657-L674 HydrophobicContact CD1-CD1 4.44Å; L657-L674 HydrophobicContact CD2-CD1 3.92Å; L666-L674 HydrophobicContact CD2-CD2 4.39Å; H670-L674 WeakPolarHBondContact O-CB 3.02Å; H670-L674 PolarHBondContact O-N 2.88Å; C671-L674 PolarHBondContact O-N 2.67Å; L674-Y676 VanDerWaalsContact C-N 3.29Å; L674-Y676 PolarHBondContact O-N 3.08Å; L674-L677 PolarHBondContact O-N 3.32Å; L674-L677 VanDerWaalsContact O-N 3.1Å; L674-L678 HydrophobicContact CD1-CG 4.25Å; L674-L678 HydrophobicContact CG-CD1 4.3Å; L674-L678 HydrophobicContact CG-CG 4.39Å; L674-L678 VanDerWaalsContact O-CG 3.32Å; L674-L678 WeakPolarHBondContact O-CG 3.46Å; L674-L678 PolarHBondContact O-N 3.23Å; L674-L690 HydrophobicContact CD2-CD1 4.18Å; L674-L690 HydrophobicContact CD2-CD2 3.73Å; L674-L702 HydrophobicContact CD2-CD1 3.98Å
675	A	92.8	Very high	88.5	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.4	-39.8	177	0	0	0	0	0	112.6	V630 V635 C671 T672 L678 Q679 Q705	V630-A675 HydrophobicContact CG1-CB 3.71Å; V635-A675 HydrophobicContact CG2-CB 3.58Å; C671-A675 WeakPolarHBondContact O-CB 3.45Å; C671-A675 PolarHBondContact O-N 3.29Å; T672-A675 PolarHBondContact O-N 3.38Å; A675-L678 PolarHBondContact O-N 2.79Å; A675-Q679 PolarHBondContact O-N 3.36Å; A675-Q705 HydrophobicContact CB-CB 3.84Å; A675-Q705 HydrophobicContact CB-CG 3.54Å
676	Y	92.1	Very high	89.2	Confident	8 Å²	8	24.7 Å²	24.7	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-59.7	-50.7	170.2	168.5	-96.8	0	0	0	111.8	V635 A638 Y639 Q642 L650 T672 A673 L674 L678 Q679 V680	V635-Y676 HydrophobicContact CG1-CD2 4.38Å; A638-Y676 HydrophobicContact CB-CD2 3.91Å; A638-Y676 HydrophobicContact CB-CG 3.8Å; Y639-Y676 HydrophobicContact CD1-CD2 4.36Å; Y639-Y676 AromaticContact CD1-CE2 3.71Å; Y639-Y676 HydrophobicContact CD1-CE2 3.71Å; Y639-Y676 AromaticContact CD2-CD2 3.75Å; Y639-Y676 HydrophobicContact CD2-CD2 3.75Å; Y639-Y676 AromaticContact CD2-CE2 3.95Å; Y639-Y676 HydrophobicContact CD2-CE2 3.95Å; Y639-Y676 HydrophobicContact CE1-CD2 4.35Å; Y639-Y676 AromaticContact CE1-CE2 3.76Å; Y639-Y676 HydrophobicContact CE1-CE2 3.76Å; Y639-Y676 AromaticContact CE2-CD2 3.75Å; Y639-Y676 HydrophobicContact CE2-CD2 3.75Å; Y639-Y676 HydrophobicContact CE2-CE2 4Å; Y639-Y676 HydrophobicContact CG-CD2 4.08Å; Y639-Y676 AromaticContact CG-CE2 3.81Å; Y639-Y676 HydrophobicContact CG-CE2 3.81Å; Y639-Y676 AromaticContact CZ-CE2 3.91Å; Q642-Y676 VanDerWaalsContact CG-OH 3.31Å; Q642-Y676 WeakPolarHBondContact CG-OH 3.48Å; L650-Y676 HydrophobicContact CD1-CD1 4.07Å; L650-Y676 HydrophobicContact CD1-CE1 3.7Å; L650-Y676 HydrophobicContact CD2-CD1 3.89Å; L650-Y676 HydrophobicContact CD2-CE1 4.37Å; L650-Y676 HydrophobicContact CD2-CG 4.45Å; L650-Y676 HydrophobicContact CG-CD1 4.4Å; L650-Y676 HydrophobicContact CG-CE1 4.41Å; T672-Y676 PolarHBondContact O-N 3.49Å; A673-Y676 WeakPolarHBondContact O-CB 3.32Å; A673-Y676 PolarHBondContact O-N 3.31Å; L674-Y676 VanDerWaalsContact C-N 3.29Å; L674-Y676 PolarHBondContact O-N 3.08Å; Y676-L678 VanDerWaalsContact C-N 3.3Å; Y676-L678 PolarHBondContact O-N 2.69Å; Y676-Q679 WeakPolarHBondContact O-CB 3.45Å; Y676-Q679 PolarHBondContact O-N 3.01Å; Y676-V680 HydrophobicContact CD1-CG2 3.93Å; Y676-V680 HydrophobicContact CD2-CG1 4.21Å; Y676-V680 HydrophobicContact CE1-CG2 3.46Å; Y676-V680 VanDerWaalsContact CE1-CG2 3.46Å; Y676-V680 HydrophobicContact CE2-CG1 3.7Å; Y676-V680 HydrophobicContact CE2-CG2 4.18Å; Y676-V680 HydrophobicContact CG-CG2 4.47Å; Y676-V680 WeakPolarHBondContact O-CG2 3.36Å; Y676-V680 PolarHBondContact O-N 3.34Å
677	L	91.9	Very high	89.5	Confident	5 Å²	5	29.2 Å²	29.2	3%	0.026	15%	0.149	C	C	.	.	H	α-helix	trans	-61.3	-37	179.6	-69.1	168.4	0	0	0	112.4	V653 E654 A673 L674 Q679 V680 S681 C684	V653-L677 HydrophobicContact CB-CD1 4.03Å; V653-L677 HydrophobicContact CG1-CD1 3.75Å; E654-L677 HydrophobicContact CB-CD1 3.71Å; E654-L677 HydrophobicContact CB-CD2 3.96Å; E654-L677 HydrophobicContact CB-CG 4.49Å; E654-L677 HydrophobicContact CG-CD2 4.35Å; A673-L677 WeakPolarHBondContact O-CG 3.43Å; A673-L677 PolarHBondContact O-N 3.32Å; L674-L677 PolarHBondContact O-N 3.32Å; L674-L677 VanDerWaalsContact O-N 3.1Å; L677-Q679 PolarHBondContact O-N 3.4Å; L677-V680 PolarHBondContact O-N 3.05Å; L677-S681 WeakPolarHBondContact O-CA 3.39Å; L677-S681 WeakPolarHBondContact O-CB 3.43Å; L677-S681 PolarHBondContact O-N 3.37Å; L677-C684 HydrophobicContact CB-CB 4.38Å
678	L	90.1	Very high	89.8	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.6	-21.5	174.5	-69.4	178.5	0	0	0	112.7	R189 L674 A675 Y676 T688	R189-L678 PolarHBondContact NH2-O 3.04Å; L674-L678 HydrophobicContact CD1-CG 4.25Å; L674-L678 HydrophobicContact CG-CD1 4.3Å; L674-L678 HydrophobicContact CG-CG 4.39Å; L674-L678 VanDerWaalsContact O-CG 3.32Å; L674-L678 WeakPolarHBondContact O-CG 3.46Å; L674-L678 PolarHBondContact O-N 3.23Å; A675-L678 PolarHBondContact O-N 2.79Å; Y676-L678 VanDerWaalsContact C-N 3.3Å; Y676-L678 PolarHBondContact O-N 2.69Å; L678-T688 HydrophobicContact CD2-CG2 3.86Å; L678-T688 WeakPolarHBondContact CD2-OG1 3.43Å
679	Q	86.4	Confident	90	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.014	13%	0.133	C	C	.	.	H	α-helix	trans	-91	-42.4	175.5	-64.8	176.1	28.6	0	0	111.9	R189 A675 Y676 L677 Q705 Y708	R189-Q679 PolarHBondContact NE-O 3.19Å; R189-Q679 PolarHBondContact NH2-O 3.25Å; A675-Q679 PolarHBondContact O-N 3.36Å; Y676-Q679 WeakPolarHBondContact O-CB 3.45Å; Y676-Q679 PolarHBondContact O-N 3.01Å; L677-Q679 PolarHBondContact O-N 3.4Å; Q679-Q705 VanDerWaalsContact NE2-OE1 3.12Å; Q679-Y708 HydrophobicContact CG-CD2 4Å; Q679-Y708 HydrophobicContact CG-CE2 4.23Å; Q679-Y708 HydrophobicContact CG-CG 4.47Å
680	V	84.8	Confident	90.2	Very high	25 Å²	25	24.5 Å²	24.5	15%	0.152	12%	0.123	C	C	.	.	H	α-helix	trans	-95.6	-21	-172.7	-56.1	0	0	0	0	115.5	K396 I397 Y639 Y676 L677 P682	K396-V680 WeakPolarHBondContact CD-O 3.35Å; I397-V680 HydrophobicContact CG1-CG1 4.4Å; Y639-V680 HydrophobicContact CE1-CG1 3.84Å; Y639-V680 VanDerWaalsContact OH-CG1 3.25Å; Y639-V680 WeakPolarHBondContact OH-CG1 3.24Å; Y676-V680 HydrophobicContact CD1-CG2 3.93Å; Y676-V680 HydrophobicContact CD2-CG1 4.21Å; Y676-V680 HydrophobicContact CE1-CG2 3.46Å; Y676-V680 VanDerWaalsContact CE1-CG2 3.46Å; Y676-V680 HydrophobicContact CE2-CG1 3.7Å; Y676-V680 HydrophobicContact CE2-CG2 4.18Å; Y676-V680 HydrophobicContact CG-CG2 4.47Å; Y676-V680 WeakPolarHBondContact O-CG2 3.36Å; Y676-V680 PolarHBondContact O-N 3.34Å; L677-V680 PolarHBondContact O-N 3.05Å; V680-P682 WeakPolarHBondContact O-CD 3.5Å
681	S	85.8	Confident	90.2	Very high	5 Å²	5	23.8 Å²	23.8	4%	0.035	12%	0.123	C	C	.	.			trans	-109.5	105	-175.1	-174.5	0	0	0	0	111.1	R189 E654 L677 E683 C684 S685	R189-S681 PolarHBondContact NH2-O 3.07Å; E654-S681 PolarHBondContact OE1-OG 3.11Å; L677-S681 WeakPolarHBondContact O-CA 3.39Å; L677-S681 WeakPolarHBondContact O-CB 3.43Å; L677-S681 PolarHBondContact O-N 3.37Å; S681-E683 VanDerWaalsContact C-N 3.25Å; S681-E683 PolarHBondContact O-N 3.35Å; S681-E683 PolarHBondContact OG-OE2 3.06Å; S681-E683 VanDerWaalsContact OG-OE2 3.13Å; S681-C684 VanDerWaalsContact CB-SG 3.59Å; S681-C684 PolarHBondContact O-N 2.83Å; S681-C684 PolarHBondContact OG-N 2.91Å; S681-C684 PolarHBondContact OG-SG 3.44Å; S681-S685 PolarHBondContact O-N 3.38Å; S681-S685 PolarHBondContact O-OG 3.2Å; S681-S685 VanDerWaalsContact O-OG 3.1Å
682	P	82	Confident	90.1	Very high	46 Å²	46	26.2 Å²	26.2	30%	0.299	14%	0.143	S	C	.	.	H	α-helix	trans	-60.3	-36.2	176.6	21.8	-33	0	0	0	111.4	K396 V680 C684 S685 E686	K396-P682 HydrophobicContact CD-CG 3.68Å; V680-P682 WeakPolarHBondContact O-CD 3.5Å; P682-C684 PolarHBondContact O-N 3.36Å; P682-S685 VanDerWaalsContact CA-OG 3.23Å; P682-S685 WeakPolarHBondContact CA-OG 3.22Å; P682-S685 PolarHBondContact O-N 2.88Å; P682-S685 PolarHBondContact O-OG 2.96Å; P682-E686 WeakPolarHBondContact O-CA 2.99Å; P682-E686 WeakPolarHBondContact O-CB 3.45Å; P682-E686 PolarHBondContact O-N 3.43Å
683	E	86	Confident	89.8	Confident	90 Å²	90	27.1 Å²	27.1	42%	0.421	15%	0.149	S	C	.	.	H	α-helix	trans	-60.4	-48.4	175.9	-58.2	79.5	-177.7	0	0	109.8	K396 S681 S685 E687	K396-E683 IonicContact NZ-OE1 3.52Å; K396-E683 PolarHBondContact NZ-OE1 3.04Å; K396-E683 IonicContact NZ-OE2 3.24Å; K396-E683 PolarHBondContact NZ-OE2 2.95Å; S681-E683 VanDerWaalsContact C-N 3.25Å; S681-E683 PolarHBondContact O-N 3.35Å; S681-E683 PolarHBondContact OG-OE2 3.06Å; S681-E683 VanDerWaalsContact OG-OE2 3.13Å; E683-S685 PolarHBondContact O-N 3.33Å; E683-E687 PolarHBondContact O-N 2.7Å
684	C	88.8	Confident	89.7	Confident	3 Å²	3	27.7 Å²	27.7	2%	0.02	15%	0.152	C	C	.	.	H	α-helix	trans	-65.7	-37.7	-179.8	-63.2	0	0	0	0	113.1	L657 L677 S681 P682 T688	L657-C684 HydrophobicContact CD2-CB 3.64Å; L677-C684 HydrophobicContact CB-CB 4.38Å; S681-C684 VanDerWaalsContact CB-SG 3.59Å; S681-C684 PolarHBondContact O-N 2.83Å; S681-C684 PolarHBondContact OG-N 2.91Å; S681-C684 PolarHBondContact OG-SG 3.44Å; P682-C684 PolarHBondContact O-N 3.36Å; C684-T688 WeakPolarHBondContact O-CB 3.44Å; C684-T688 PolarHBondContact O-OG1 2.88Å
685	S	88	Confident	89.5	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-81	-31.3	179	54.3	0	0	0	0	114.6	R189 S681 P682 E683 Y708 C709 S710	R189-S685 VanDerWaalsContact CZ-CB 3.47Å; R189-S685 PolarHBondContact NH1-OG 2.86Å; R189-S685 PolarHBondContact NH2-OG 2.79Å; S681-S685 PolarHBondContact O-N 3.38Å; S681-S685 PolarHBondContact O-OG 3.2Å; S681-S685 VanDerWaalsContact O-OG 3.1Å; P682-S685 VanDerWaalsContact CA-OG 3.23Å; P682-S685 WeakPolarHBondContact CA-OG 3.22Å; P682-S685 PolarHBondContact O-N 2.88Å; P682-S685 PolarHBondContact O-OG 2.96Å; E683-S685 PolarHBondContact O-N 3.33Å; S685-Y708 WeakPolarHBondContact CB-O 3.45Å; S685-C709 CarbonylContact O-C 3.56Å; S685-C709 VanDerWaalsContact O-CA 3.3Å; S685-C709 WeakPolarHBondContact O-CA 3.39Å; S685-S710 PolarHBondContact O-N 2.94Å
686	E	90.4	Very high	89.4	Confident	109 Å²	109	36.2 Å²	36.2	51%	0.509	19%	0.191	S	C	.	.	H	α-helix	trans	-70.8	-45.6	-177.1	-175.5	174.6	-174.7	0	0	108.3	P682 H711	P682-E686 WeakPolarHBondContact O-CA 2.99Å; P682-E686 WeakPolarHBondContact O-CB 3.45Å; P682-E686 PolarHBondContact O-N 3.43Å; E686-H711 WeakPolarHBondContact O-CA 3.29Å; E686-H711 WeakPolarHBondContact O-CB 3.15Å; E686-H711 PolarHBondContact O-N 3.43Å; E686-H711 PolarHBondContact O-ND1 3.37Å
687	E	91.4	Very high	89.2	Confident	119 Å²	119	39.2 Å²	39.2	56%	0.556	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.3	87.7	179.5	-68.1	-95.7	142.9	0	0	109.8	E683 H711	E683-E687 PolarHBondContact O-N 2.7Å; E687-H711 IonicContact OE1-CE1 2.72Å; E687-H711 IonicContact OE1-CG 3.28Å; E687-H711 IonicContact OE1-ND1 3.47Å; E687-H711 PolarHBondContact OE1-ND1 3.05Å
688	T	93.7	Very high	89.2	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	115.5	176.5	-41.1	0	0	0	0	111	L657 L678 C684 L690 C709 H711 L712 R713	L657-T688 HydrophobicContact CD1-CG2 4.18Å; L678-T688 HydrophobicContact CD2-CG2 3.86Å; L678-T688 WeakPolarHBondContact CD2-OG1 3.43Å; C684-T688 WeakPolarHBondContact O-CB 3.44Å; C684-T688 PolarHBondContact O-OG1 2.88Å; T688-L690 HydrophobicContact CG2-CD1 4.14Å; T688-L690 HydrophobicContact CG2-CD2 4.29Å; T688-L690 HydrophobicContact CG2-CG 3.92Å; T688-C709 PolarHBondContact OG1-SG 2.91Å; T688-H711 PolarHBondContact N-O 3.41Å; T688-L712 HydrophobicContact CG2-CD1 4.28Å; T688-R713 PolarHBondContact O-N 3.49Å
689	N	92.5	Very high	89.3	Confident	55 Å²	55	39.8 Å²	39.8	29%	0.294	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	108.5	174.1	-171.9	7.3	0	0	0	112.1	L657 S691	L657-N689 WeakPolarHBondContact CD1-O 3.27Å; N689-S691 VanDerWaalsContact OD1-CB 3.24Å; N689-S691 WeakPolarHBondContact OD1-CB 3.48Å; N689-S691 PolarHBondContact OD1-N 2.82Å; N689-S691 VanDerWaalsContact OD1-N 3.11Å; N689-S691 PolarHBondContact OD1-OG 2.64Å
690	L	93.4	Very high	89.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.237	C	C	.	.			trans	-120.1	35.2	175.8	-55.3	175.1	0	0	0	110.8	L657 L662 L674 T688 C693 L694 L706 L712 R713 L714 N717	L657-L690 HydrophobicContact CD1-CD2 4.15Å; L662-L690 HydrophobicContact CD1-CD2 3.94Å; L674-L690 HydrophobicContact CD2-CD1 4.18Å; L674-L690 HydrophobicContact CD2-CD2 3.73Å; T688-L690 HydrophobicContact CG2-CD1 4.14Å; T688-L690 HydrophobicContact CG2-CD2 4.29Å; T688-L690 HydrophobicContact CG2-CG 3.92Å; L690-C693 HydrophobicContact CB-CB 4.48Å; L690-L694 HydrophobicContact CB-CD1 3.63Å; L690-L694 HydrophobicContact CB-CG 4.02Å; L690-L694 HydrophobicContact CD1-CD1 3.96Å; L690-L694 HydrophobicContact CG-CD1 4.42Å; L690-L706 HydrophobicContact CD1-CD2 3.74Å; L690-L712 HydrophobicContact CD1-CD1 4.22Å; L690-R713 CarbonylContact C-O 3.26Å; L690-R713 WeakPolarHBondContact CA-O 3.34Å; L690-R713 PolarHBondContact N-O 3.2Å; L690-L714 HydrophobicContact CB-CD2 4.04Å; L690-N717 PolarHBondContact O-ND2 3.48Å; L690-N717 PolarHBondContact O-OD1 2.92Å
691	S	91.8	Very high	89.8	Confident	25 Å²	25	43.7 Å²	43.7	18%	0.175	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	135.3	178.3	-52.9	0	0	0	0	110.9	N689 C693 R713 E715	N689-S691 VanDerWaalsContact OD1-CB 3.24Å; N689-S691 WeakPolarHBondContact OD1-CB 3.48Å; N689-S691 PolarHBondContact OD1-N 2.82Å; N689-S691 VanDerWaalsContact OD1-N 3.11Å; N689-S691 PolarHBondContact OD1-OG 2.64Å; S691-C693 PolarHBondContact O-N 2.87Å; S691-C693 PolarHBondContact O-SG 3.25Å; S691-R713 PolarHBondContact N-O 2.85Å; S691-E715 CarbonylContact C-O 3.52Å; S691-E715 WeakPolarHBondContact CA-O 3.34Å; S691-E715 WeakPolarHBondContact CB-O 3.49Å; S691-E715 WeakPolarHBondContact OG-CB 3.28Å; S691-E715 PolarHBondContact OG-N 3.42Å; S691-E715 VanDerWaalsContact OG-N 3.14Å
692	A	90.3	Very high	90.1	Very high	55 Å²	55	43.5 Å²	43.5	46%	0.455	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	31.4	-175.6	0	0	0	0	0	114.9	E715 N716 N717	A692-E715 PolarHBondContact N-O 3.44Å; A692-N716 WeakPolarHBondContact CA-O 3.35Å; A692-N716 HydrophobicContact CB-CB 4.48Å; A692-N717 WeakPolarHBondContact CA-OD1 3.21Å; A692-N717 PolarHBondContact N-OD1 2.85Å; A692-N717 VanDerWaalsContact N-OD1 3.15Å
693	C	87.7	Confident	90.5	Very high	19 Å²	19	42.5 Å²	42.5	13%	0.128	22%	0.224	C	C	.	.			trans	-120.7	-18.8	-173.7	-71.8	0	0	0	0	113.4	G663 L666 L690 S691 N717	G663-C693 VanDerWaalsContact CA-SG 3.57Å; G663-C693 PolarHBondContact N-SG 3.33Å; L666-C693 HydrophobicContact CD1-CB 3.54Å; L666-C693 VanDerWaalsContact CD1-O 3.26Å; L666-C693 WeakPolarHBondContact CD1-O 3.48Å; L690-C693 HydrophobicContact CB-CB 4.48Å; S691-C693 PolarHBondContact O-N 2.87Å; S691-C693 PolarHBondContact O-SG 3.25Å; C693-N717 PolarHBondContact N-OD1 2.87Å
694	L	90.4	Very high	90.6	Very high	11 Å²	11	40.6 Å²	40.6	6%	0.058	22%	0.219	C	C	.	.			trans	-123.8	141.6	-162.5	-60.9	176.6	0	0	0	111.8	L666 L690 T698 V699 L702 L714 N717 F719	L666-L694 HydrophobicContact CD1-CD2 4.03Å; L690-L694 HydrophobicContact CB-CD1 3.63Å; L690-L694 HydrophobicContact CB-CG 4.02Å; L690-L694 HydrophobicContact CD1-CD1 3.96Å; L690-L694 HydrophobicContact CG-CD1 4.42Å; L694-T698 HydrophobicContact CD2-CG2 3.54Å; L694-V699 HydrophobicContact CB-CG2 3.99Å; L694-V699 HydrophobicContact CD1-CG2 4.08Å; L694-L702 HydrophobicContact CD2-CD1 4.12Å; L694-L714 HydrophobicContact CD1-CD2 3.4Å; L694-N717 PolarHBondContact N-OD1 2.79Å; L694-N717 PolarHBondContact O-OD1 3.42Å; L694-F719 HydrophobicContact CB-CE1 4.02Å; L694-F719 HydrophobicContact CB-CZ 3.69Å; L694-F719 HydrophobicContact CD1-CZ 4.14Å
695	D	89.4	Confident	90.6	Very high	83 Å²	83	40.6 Å²	40.6	44%	0.444	22%	0.219	S	C	.	.			trans	-112.9	177.9	164	68.9	32.5	0	0	0	110.6	S697 T698 V699	D695-S697 VanDerWaalsContact C-N 3.26Å; D695-S697 PolarHBondContact O-N 2.99Å; D695-S697 WeakPolarHBondContact OD1-CA 3.47Å; D695-S697 WeakPolarHBondContact OD1-CB 3.35Å; D695-S697 PolarHBondContact OD1-N 3.17Å; D695-S697 PolarHBondContact OD1-OG 3.33Å; D695-T698 PolarHBondContact O-N 3.42Å; D695-T698 PolarHBondContact OD1-N 3.3Å; D695-T698 PolarHBondContact OD1-OG1 3.15Å; D695-V699 WeakPolarHBondContact O-CG2 3.37Å; D695-V699 PolarHBondContact O-N 3.42Å
696	Y	90.3	Very high	90.8	Very high	96 Å²	96	40.5 Å²	40.5	38%	0.376	22%	0.219	S	C	.	.	H	α-helix	trans	-54.7	-40.6	178.6	177.1	-90.8	0	0	0	113.1	K700 D722 V723 L726	Y696-K700 HydrophobicContact CE1-CD 4.22Å; Y696-K700 VanDerWaalsContact O-CB 3.29Å; Y696-K700 WeakPolarHBondContact O-CB 3.3Å; Y696-K700 PolarHBondContact O-N 3.02Å; Y696-D722 HydrophobicContact CD2-CB 4.4Å; Y696-D722 WeakPolarHBondContact CD2-OD2 3.36Å; Y696-D722 HydrophobicContact CE2-CB 4.01Å; Y696-V723 HydrophobicContact CD2-CG2 3.72Å; Y696-L726 HydrophobicContact CD2-CD1 4.23Å; Y696-L726 HydrophobicContact CE2-CD1 3.63Å; Y696-L726 HydrophobicContact CE2-CG 4.4Å
697	S	89	Confident	90.6	Very high	71 Å²	71	36.8 Å²	36.8	50%	0.497	20%	0.202	S	C	.	.	H	α-helix	trans	-69.7	-41.5	-177.2	76.9	0	0	0	0	111.6	D695 K700 S701	D695-S697 VanDerWaalsContact C-N 3.26Å; D695-S697 PolarHBondContact O-N 2.99Å; D695-S697 WeakPolarHBondContact OD1-CA 3.47Å; D695-S697 WeakPolarHBondContact OD1-CB 3.35Å; D695-S697 PolarHBondContact OD1-N 3.17Å; D695-S697 PolarHBondContact OD1-OG 3.33Å; S697-K700 PolarHBondContact O-N 2.84Å; S697-S701 WeakPolarHBondContact O-CB 3.48Å; S697-S701 PolarHBondContact O-N 2.72Å
698	T	90.6	Very high	90.3	Very high	18 Å²	18	32.3 Å²	32.3	11%	0.11	18%	0.18	C	C	.	.	H	α-helix	trans	-70.7	-39.9	178.6	-53.6	0	0	0	0	111.1	L666 L694 D695 S701 L702	L666-T698 HydrophobicContact CB-CG2 4.46Å; L666-T698 HydrophobicContact CD2-CG2 4.31Å; L694-T698 HydrophobicContact CD2-CG2 3.54Å; D695-T698 PolarHBondContact O-N 3.42Å; D695-T698 PolarHBondContact OD1-N 3.3Å; D695-T698 PolarHBondContact OD1-OG1 3.15Å; T698-S701 WeakPolarHBondContact O-CB 3.41Å; T698-S701 PolarHBondContact O-N 3.34Å; T698-L702 HydrophobicContact CG2-CD1 4.06Å; T698-L702 WeakPolarHBondContact O-CB 3.49Å; T698-L702 PolarHBondContact O-N 3.34Å
699	V	91.9	Very high	90.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.6	-50.6	171.3	174.7	0	0	0	0	110.5	L694 D695 S701 L702 L703 F719 V723 L727	L694-V699 HydrophobicContact CB-CG2 3.99Å; L694-V699 HydrophobicContact CD1-CG2 4.08Å; D695-V699 WeakPolarHBondContact O-CG2 3.37Å; D695-V699 PolarHBondContact O-N 3.42Å; V699-S701 PolarHBondContact O-N 2.85Å; V699-L702 CarbonylContact O-C 3.38Å; V699-L702 PolarHBondContact O-N 2.99Å; V699-L702 VanDerWaalsContact O-N 3.14Å; V699-L703 HydrophobicContact CG1-CD1 4.28Å; V699-L703 WeakPolarHBondContact O-CA 3.27Å; V699-L703 WeakPolarHBondContact O-CB 3.49Å; V699-L703 PolarHBondContact O-N 2.8Å; V699-F719 HydrophobicContact CG2-CE1 3.55Å; V699-F719 HydrophobicContact CG2-CE2 4.07Å; V699-F719 HydrophobicContact CG2-CZ 3.21Å; V699-V723 HydrophobicContact CG1-CG1 4.07Å; V699-V723 HydrophobicContact CG2-CG1 4.32Å; V699-L727 HydrophobicContact CG1-CD2 4.23Å
700	K	91.1	Very high	90.1	Very high	100 Å²	100	31.1 Å²	31.1	44%	0.435	18%	0.176	S	C	.	.	H	α-helix	trans	-58.1	-37.9	178.5	-175.1	178.7	178.9	-177.9	0	111.4	Y696 S697 L726	Y696-K700 HydrophobicContact CE1-CD 4.22Å; Y696-K700 VanDerWaalsContact O-CB 3.29Å; Y696-K700 WeakPolarHBondContact O-CB 3.3Å; Y696-K700 PolarHBondContact O-N 3.02Å; S697-K700 PolarHBondContact O-N 2.84Å; K700-L726 HydrophobicContact CB-CD1 4.03Å; K700-L726 HydrophobicContact CG-CD1 4.44Å
701	S	90.9	Very high	90.2	Very high	10 Å²	10	32.1 Å²	32.1	7%	0.07	18%	0.181	C	C	.	.	H	α-helix	trans	-65.2	-44.1	176.5	169.1	0	0	0	0	112.3	A628 V630 R668 S697 T698 V699	A628-S701 WeakPolarHBondContact O-CA 3.36Å; A628-S701 VanDerWaalsContact O-CB 3.31Å; A628-S701 WeakPolarHBondContact O-CB 3.28Å; V630-S701 PolarHBondContact N-O 3.46Å; R668-S701 PolarHBondContact NH1-OG 2.85Å; S697-S701 WeakPolarHBondContact O-CB 3.48Å; S697-S701 PolarHBondContact O-N 2.72Å; T698-S701 WeakPolarHBondContact O-CB 3.41Å; T698-S701 PolarHBondContact O-N 3.34Å; V699-S701 PolarHBondContact O-N 2.85Å
702	L	92.4	Very high	90.4	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-89.1	-8.1	-177.6	-76.3	171.3	0	0	0	114.4	V630 L666 C671 L674 L694 T698 V699 P704 Q705 L706	V630-L702 HydrophobicContact CG2-CD2 4.25Å; L666-L702 HydrophobicContact CD2-CD1 4.37Å; C671-L702 HydrophobicContact CB-CD1 4.48Å; C671-L702 HydrophobicContact CB-CD2 3.82Å; C671-L702 HydrophobicContact CB-CG 4.14Å; C671-L702 WeakPolarHBondContact O-CD2 3.44Å; L674-L702 HydrophobicContact CD2-CD1 3.98Å; L694-L702 HydrophobicContact CD2-CD1 4.12Å; T698-L702 HydrophobicContact CG2-CD1 4.06Å; T698-L702 WeakPolarHBondContact O-CB 3.49Å; T698-L702 PolarHBondContact O-N 3.34Å; V699-L702 CarbonylContact O-C 3.38Å; V699-L702 PolarHBondContact O-N 2.99Å; V699-L702 VanDerWaalsContact O-N 3.14Å; L702-P704 VanDerWaalsContact C-CD 3.5Å; L702-P704 VanDerWaalsContact O-N 3.16Å; L702-Q705 HydrophobicContact CD2-CB 4.49Å; L702-Q705 WeakPolarHBondContact O-CA 3.47Å; L702-Q705 WeakPolarHBondContact O-CB 3.12Å; L702-Q705 PolarHBondContact O-N 2.78Å; L702-L706 HydrophobicContact CB-CG 4.36Å; L702-L706 PolarHBondContact O-N 2.65Å; L702-L706 VanDerWaalsContact O-N 3.16Å
703	L	91.2	Very high	90.7	Very high	25 Å²	25	33.4 Å²	33.4	13%	0.131	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-48.6	-50	-167.8	-168.6	71.8	0	0	0	113.1	V699 Q705 L706 L726 L727 L730	V699-L703 HydrophobicContact CG1-CD1 4.28Å; V699-L703 WeakPolarHBondContact O-CA 3.27Å; V699-L703 WeakPolarHBondContact O-CB 3.49Å; V699-L703 PolarHBondContact O-N 2.8Å; L703-Q705 PolarHBondContact O-N 3.38Å; L703-L706 PolarHBondContact O-N 3.1Å; L703-L726 HydrophobicContact CD1-CB 4.09Å; L703-L726 HydrophobicContact CD2-CB 4Å; L703-L726 HydrophobicContact CD2-CD2 4.25Å; L703-L727 HydrophobicContact CD1-CD2 3.99Å; L703-L730 HydrophobicContact CD1-CB 4Å; L703-L730 HydrophobicContact CD1-CD1 3.73Å; L703-L730 HydrophobicContact CG-CB 4.42Å; L703-L730 HydrophobicContact CG-CD1 4.13Å; L703-L730 WeakPolarHBondContact O-CD1 3.41Å
704	P	87.2	Confident	91.1	Very high	50 Å²	50	32.5 Å²	32.5	33%	0.325	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-65.2	-24.7	-180	-18.6	33.5	0	0	0	113.5	V629 L702 L707	V629-P704 HydrophobicContact CG1-CG 3.69Å; L702-P704 VanDerWaalsContact C-CD 3.5Å; L702-P704 VanDerWaalsContact O-N 3.16Å; P704-L707 WeakPolarHBondContact O-CD1 3.24Å
705	Q	89.9	Confident	91.3	Very high	3 Å²	3	32.8 Å²	32.8	1%	0.014	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-83.7	-23	-176.6	-49.3	-58.9	-38.6	0	0	112	V630 A675 Q679 L702 L703 L707 Y708	V630-Q705 HydrophobicContact CB-CG 4.1Å; V630-Q705 HydrophobicContact CG1-CG 4.03Å; V630-Q705 PolarHBondContact O-NE2 2.55Å; A675-Q705 HydrophobicContact CB-CB 3.84Å; A675-Q705 HydrophobicContact CB-CG 3.54Å; Q679-Q705 VanDerWaalsContact NE2-OE1 3.12Å; L702-Q705 HydrophobicContact CD2-CB 4.49Å; L702-Q705 WeakPolarHBondContact O-CA 3.47Å; L702-Q705 WeakPolarHBondContact O-CB 3.12Å; L702-Q705 PolarHBondContact O-N 2.78Å; L703-Q705 PolarHBondContact O-N 3.38Å; Q705-L707 PolarHBondContact O-N 3.01Å; Q705-Y708 VanDerWaalsContact O-CD2 3.22Å; Q705-Y708 WeakPolarHBondContact O-CD2 3.49Å; Q705-Y708 PolarHBondContact O-N 3.46Å
706	L	91.4	Very high	91.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-72.2	-11.6	176	-62.4	177.9	0	0	0	112.9	L690 L702 L703 Y708 C709 L712 L727 L730	L690-L706 HydrophobicContact CD1-CD2 3.74Å; L702-L706 HydrophobicContact CB-CG 4.36Å; L702-L706 PolarHBondContact O-N 2.65Å; L702-L706 VanDerWaalsContact O-N 3.16Å; L703-L706 PolarHBondContact O-N 3.1Å; L706-Y708 PolarHBondContact O-N 2.77Å; L706-C709 WeakPolarHBondContact O-CB 3.46Å; L706-C709 PolarHBondContact O-N 3.41Å; L706-L712 HydrophobicContact CB-CD2 4.24Å; L706-L712 HydrophobicContact CD1-CD2 4.38Å; L706-L712 HydrophobicContact CD2-CD1 4.24Å; L706-L712 HydrophobicContact CD2-CD2 4.33Å; L706-L727 HydrophobicContact CD1-CD2 4.48Å; L706-L730 HydrophobicContact CB-CD1 3.6Å
707	L	86.4	Confident	91.7	Very high	30 Å²	30	29.5 Å²	29.5	16%	0.157	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-62.9	-25	173.1	-75	163.1	0	0	0	112.8	P704 Q705 C709 L730 A733 C736	P704-L707 WeakPolarHBondContact O-CD1 3.24Å; Q705-L707 PolarHBondContact O-N 3.01Å; L707-C709 VanDerWaalsContact C-N 3.29Å; L707-C709 PolarHBondContact O-N 3.04Å; L707-L730 HydrophobicContact CD2-CD2 4.1Å; L707-L730 HydrophobicContact CD2-CG 3.75Å; L707-L730 HydrophobicContact CG-CD1 4.26Å; L707-L730 HydrophobicContact CG-CG 3.98Å; L707-A733 HydrophobicContact CD2-CB 3.62Å; L707-C736 HydrophobicContact CD2-CB 4.02Å
708	Y	85.1	Confident	91.9	Very high	25 Å²	25	31.6 Å²	31.6	10%	0.098	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-85.2	-0.4	-177.4	-51.1	-54.9	0	0	0	113.4	A187 Q679 S685 Q705 L706	A187-Y708 HydrophobicContact CB-CE1 3.67Å; A187-Y708 WeakPolarHBondContact CB-OH 3.25Å; A187-Y708 WeakPolarHBondContact O-CD1 3.1Å; A187-Y708 WeakPolarHBondContact O-CE1 3.23Å; Q679-Y708 HydrophobicContact CG-CD2 4Å; Q679-Y708 HydrophobicContact CG-CE2 4.23Å; Q679-Y708 HydrophobicContact CG-CG 4.47Å; S685-Y708 WeakPolarHBondContact CB-O 3.45Å; Q705-Y708 VanDerWaalsContact O-CD2 3.22Å; Q705-Y708 WeakPolarHBondContact O-CD2 3.49Å; Q705-Y708 PolarHBondContact O-N 3.46Å; L706-Y708 PolarHBondContact O-N 2.77Å
709	C	90.9	Very high	92.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.			trans	-83.5	144.4	175.5	-61.1	0	0	0	0	111.3	S685 T688 L706 L707 L712 H737 L738	S685-C709 CarbonylContact O-C 3.56Å; S685-C709 VanDerWaalsContact O-CA 3.3Å; S685-C709 WeakPolarHBondContact O-CA 3.39Å; T688-C709 PolarHBondContact OG1-SG 2.91Å; L706-C709 WeakPolarHBondContact O-CB 3.46Å; L706-C709 PolarHBondContact O-N 3.41Å; L707-C709 VanDerWaalsContact C-N 3.29Å; L707-C709 PolarHBondContact O-N 3.04Å; C709-L712 HydrophobicContact CB-CB 4.2Å; C709-H737 CarbonylContact O-C 3.57Å; C709-L738 HydrophobicContact CB-CD2 3.64Å; C709-L738 WeakPolarHBondContact O-CA 3.44Å; C709-L738 VanDerWaalsContact O-CD2 3.24Å; C709-L738 WeakPolarHBondContact O-CD2 3.47Å; C709-L738 WeakPolarHBondContact O-CG 3.08Å; C709-L738 PolarHBondContact O-N 2.95Å
710	S	91.8	Very high	92.2	Very high	33 Å²	33	36.6 Å²	36.6	23%	0.231	18%	0.18	C	C	.	.	S	Bend	trans	-95.6	-49.3	169	-58	0	0	0	0	110.9	S685 Q739 K740	S685-S710 PolarHBondContact O-N 2.94Å; S710-Q739 PolarHBondContact O-N 3.35Å; S710-K740 PolarHBondContact O-N 3.2Å; S710-K740 VanDerWaalsContact O-N 3.08Å
711	H	95.6	Very high	92.5	Very high	20 Å²	20	33.7 Å²	33.7	9%	0.093	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.4	171.5	-47.4	149.6	0	0	0	109.7	E686 E687 T688 K740	E686-H711 WeakPolarHBondContact O-CA 3.29Å; E686-H711 WeakPolarHBondContact O-CB 3.15Å; E686-H711 PolarHBondContact O-N 3.43Å; E686-H711 PolarHBondContact O-ND1 3.37Å; E687-H711 IonicContact OE1-CE1 2.72Å; E687-H711 IonicContact OE1-CG 3.28Å; E687-H711 IonicContact OE1-ND1 3.47Å; E687-H711 PolarHBondContact OE1-ND1 3.05Å; T688-H711 PolarHBondContact N-O 3.41Å; H711-K740 WeakPolarHBondContact CA-O 3.32Å; H711-K740 HydrophobicContact CB-CB 4.16Å; H711-K740 VanDerWaalsContact CD2-CD 3.48Å; H711-K740 WeakPolarHBondContact CD2-CD 3.27Å; H711-K740 VanDerWaalsContact CD2-CG 3.41Å; H711-K740 WeakPolarHBondContact CD2-CG 3.43Å; H711-K740 PolarHBondContact CE1-NZ 3.2Å; H711-K740 WeakPolarHBondContact NE2-CE 3.26Å; H711-K740 PolarHBondContact NE2-NZ 3.37Å
712	L	95.9	Very high	92.7	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.6	-176.1	-179.7	59.2	0	0	0	110.6	T688 L690 L706 C709 L714 L738 K740 I741 S742	T688-L712 HydrophobicContact CG2-CD1 4.28Å; L690-L712 HydrophobicContact CD1-CD1 4.22Å; L706-L712 HydrophobicContact CB-CD2 4.24Å; L706-L712 HydrophobicContact CD1-CD2 4.38Å; L706-L712 HydrophobicContact CD2-CD1 4.24Å; L706-L712 HydrophobicContact CD2-CD2 4.33Å; C709-L712 HydrophobicContact CB-CB 4.2Å; L712-L714 HydrophobicContact CD1-CD2 4.1Å; L712-L714 HydrophobicContact CD1-CG 4.21Å; L712-L714 HydrophobicContact CD2-CD1 3.81Å; L712-L714 HydrophobicContact CD2-CD2 4.49Å; L712-L714 HydrophobicContact CD2-CG 4.21Å; L712-L714 HydrophobicContact CG-CD1 3.98Å; L712-L714 HydrophobicContact CG-CD2 4.24Å; L712-L714 HydrophobicContact CG-CG 3.86Å; L712-L738 HydrophobicContact CB-CD2 3.49Å; L712-L738 VanDerWaalsContact CB-CD2 3.49Å; L712-L738 HydrophobicContact CD2-CD1 4.28Å; L712-L738 HydrophobicContact CD2-CD2 4.21Å; L712-K740 PolarHBondContact N-O 3.14Å; L712-I741 HydrophobicContact CB-CG1 4.44Å; L712-I741 CarbonylContact O-C 3.55Å; L712-I741 VanDerWaalsContact O-CA 3.32Å; L712-I741 WeakPolarHBondContact O-CA 3.34Å; L712-S742 PolarHBondContact O-N 3.06Å
713	R	95.5	Very high	92.9	Very high	106 Å²	106	37.1 Å²	37.1	40%	0.4	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.9	175.3	-60.8	177.7	63.3	165.6	-0.3	109.9	T688 L690 S691 E715	T688-R713 PolarHBondContact O-N 3.49Å; L690-R713 CarbonylContact C-O 3.26Å; L690-R713 WeakPolarHBondContact CA-O 3.34Å; L690-R713 PolarHBondContact N-O 3.2Å; S691-R713 PolarHBondContact N-O 2.85Å; R713-E715 IonicContact CZ-OE2 2.65Å; R713-E715 IonicContact NE-OE1 2.99Å; R713-E715 IonicContact NE-OE2 2.7Å; R713-E715 IonicContact NH2-OE1 3.97Å; R713-E715 IonicContact NH2-OE2 3.5Å; R713-E715 PolarHBondContact NH2-OE2 2.9Å
714	L	95.4	Very high	93.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.			trans	-127.1	38.4	-176.8	-64.1	169.4	0	0	0	110.3	L690 L694 L712 N717 F719 L727 I741 S742 L743 N746	L690-L714 HydrophobicContact CB-CD2 4.04Å; L694-L714 HydrophobicContact CD1-CD2 3.4Å; L712-L714 HydrophobicContact CD1-CD2 4.1Å; L712-L714 HydrophobicContact CD1-CG 4.21Å; L712-L714 HydrophobicContact CD2-CD1 3.81Å; L712-L714 HydrophobicContact CD2-CD2 4.49Å; L712-L714 HydrophobicContact CD2-CG 4.21Å; L712-L714 HydrophobicContact CG-CD1 3.98Å; L712-L714 HydrophobicContact CG-CD2 4.24Å; L712-L714 HydrophobicContact CG-CG 3.86Å; L714-N717 WeakPolarHBondContact CA-ND2 3.42Å; L714-N717 PolarHBondContact O-ND2 3.36Å; L714-N717 VanDerWaalsContact O-ND2 3.1Å; L714-F719 HydrophobicContact CB-CE2 3.94Å; L714-F719 HydrophobicContact CD1-CE2 4.33Å; L714-F719 HydrophobicContact CD2-CE2 4.28Å; L714-F719 HydrophobicContact CG-CE2 4.42Å; L714-L727 HydrophobicContact CD1-CD1 3.84Å; L714-L727 HydrophobicContact CD1-CD2 4.36Å; L714-I741 HydrophobicContact CD1-CD1 4.25Å; L714-S742 WeakPolarHBondContact CA-O 3.46Å; L714-S742 PolarHBondContact N-O 2.93Å; L714-L743 HydrophobicContact CB-CD2 4.06Å; L714-L743 HydrophobicContact CD1-CD2 3.81Å; L714-N746 PolarHBondContact O-ND2 3.36Å
715	E	95.1	Very high	93.5	Very high	17 Å²	17	38.1 Å²	38.1	8%	0.079	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	148.3	-172.1	-46.1	-176	149	0	0	110.6	S691 A692 R713 N717 S742 A744 R772	S691-E715 CarbonylContact C-O 3.52Å; S691-E715 WeakPolarHBondContact CA-O 3.34Å; S691-E715 WeakPolarHBondContact CB-O 3.49Å; S691-E715 WeakPolarHBondContact OG-CB 3.28Å; S691-E715 PolarHBondContact OG-N 3.42Å; S691-E715 VanDerWaalsContact OG-N 3.14Å; A692-E715 PolarHBondContact N-O 3.44Å; R713-E715 IonicContact CZ-OE2 2.65Å; R713-E715 IonicContact NE-OE1 2.99Å; R713-E715 IonicContact NE-OE2 2.7Å; R713-E715 IonicContact NH2-OE1 3.97Å; R713-E715 IonicContact NH2-OE2 3.5Å; R713-E715 PolarHBondContact NH2-OE2 2.9Å; E715-N717 VanDerWaalsContact C-N 3.3Å; E715-N717 PolarHBondContact O-N 2.67Å; E715-N717 VanDerWaalsContact O-N 3.17Å; E715-N717 PolarHBondContact O-ND2 3.29Å; E715-S742 WeakPolarHBondContact CG-OG 3.46Å; E715-S742 WeakPolarHBondContact OE1-CB 3.4Å; E715-S742 PolarHBondContact OE1-OG 3.5Å; E715-A744 CarbonylContact C-O 3.53Å; E715-A744 WeakPolarHBondContact CA-O 3.34Å; E715-A744 HydrophobicContact CB-CB 4.17Å; E715-A744 HydrophobicContact CG-CB 3.83Å; E715-R772 IonicContact OE1-CZ 3.4Å; E715-R772 IonicContact OE1-NH1 3.05Å; E715-R772 PolarHBondContact OE1-NH1 2.77Å; E715-R772 IonicContact OE1-NH2 2.68Å; E715-R772 PolarHBondContact OE1-NH2 3.16Å; E715-R772 VanDerWaalsContact OE1-NH2 3.07Å; E715-R772 IonicContact OE2-NH2 3.78Å; E715-R772 PolarHBondContact OE2-NH2 3.14Å; E715-R772 VanDerWaalsContact OE2-NH2 3.13Å
716	N	94.2	Very high	93.8	Very high	95 Å²	95	39.5 Å²	39.5	51%	0.508	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	37.1	170.9	-164.8	34	0	0	0	115.3	A692 A744 E745	A692-N716 WeakPolarHBondContact CA-O 3.35Å; A692-N716 HydrophobicContact CB-CB 4.48Å; N716-A744 PolarHBondContact N-O 3.16Å; N716-E745 VanDerWaalsContact CA-O 3.24Å; N716-E745 WeakPolarHBondContact CA-O 3.39Å; N716-E745 HydrophobicContact CB-CB 4.27Å; N716-E745 PolarHBondContact N-O 3.19Å
717	N	93.3	Very high	94	Very high	16 Å²	16	39.5 Å²	39.5	9%	0.086	19%	0.194	C	C	.	.	S	Bend	trans	-98	5.2	175.8	-74.8	-60.3	0	0	0	113.2	L690 A692 C693 L694 L714 E715 F719 N746	L690-N717 PolarHBondContact O-ND2 3.48Å; L690-N717 PolarHBondContact O-OD1 2.92Å; A692-N717 WeakPolarHBondContact CA-OD1 3.21Å; A692-N717 PolarHBondContact N-OD1 2.85Å; A692-N717 VanDerWaalsContact N-OD1 3.15Å; C693-N717 PolarHBondContact N-OD1 2.87Å; L694-N717 PolarHBondContact N-OD1 2.79Å; L694-N717 PolarHBondContact O-OD1 3.42Å; L714-N717 WeakPolarHBondContact CA-ND2 3.42Å; L714-N717 PolarHBondContact O-ND2 3.36Å; L714-N717 VanDerWaalsContact O-ND2 3.1Å; E715-N717 VanDerWaalsContact C-N 3.3Å; E715-N717 PolarHBondContact O-N 2.67Å; E715-N717 VanDerWaalsContact O-N 3.17Å; E715-N717 PolarHBondContact O-ND2 3.29Å; N717-F719 HydrophobicContact CB-CD1 3.61Å; N717-F719 HydrophobicContact CB-CD2 4.02Å; N717-F719 HydrophobicContact CB-CE1 3.37Å; N717-F719 HydrophobicContact CB-CE2 3.81Å; N717-F719 HydrophobicContact CB-CG 3.93Å; N717-F719 HydrophobicContact CB-CZ 3.46Å; N717-F719 VanDerWaalsContact CB-CZ 3.46Å; N717-F719 PolarHBondContact O-N 3.38Å; N717-N746 PolarHBondContact N-OD1 2.88Å; N717-N746 VanDerWaalsContact N-OD1 3.08Å
718	N	93.7	Very high	94.4	Very high	115 Å²	115	38.3 Å²	38.3	62%	0.615	19%	0.189	S	C	*	.			trans	55.1	32	-175.4	-165.8	30.1	0	0	0	113.2	N746	N718-N746 PolarHBondContact N-OD1 2.85Å; N718-N746 VanDerWaalsContact N-OD1 3.1Å
719	F	95.2	Very high	94.7	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.013	21%	0.206	C	C	.	.			trans	-66.4	141.3	178.4	-67.2	-21	0	0	0	111.8	L694 V699 L714 N717 V723 M724 N746 A747	L694-F719 HydrophobicContact CB-CE1 4.02Å; L694-F719 HydrophobicContact CB-CZ 3.69Å; L694-F719 HydrophobicContact CD1-CZ 4.14Å; V699-F719 HydrophobicContact CG2-CE1 3.55Å; V699-F719 HydrophobicContact CG2-CE2 4.07Å; V699-F719 HydrophobicContact CG2-CZ 3.21Å; L714-F719 HydrophobicContact CB-CE2 3.94Å; L714-F719 HydrophobicContact CD1-CE2 4.33Å; L714-F719 HydrophobicContact CD2-CE2 4.28Å; L714-F719 HydrophobicContact CG-CE2 4.42Å; N717-F719 HydrophobicContact CB-CD1 3.61Å; N717-F719 HydrophobicContact CB-CD2 4.02Å; N717-F719 HydrophobicContact CB-CE1 3.37Å; N717-F719 HydrophobicContact CB-CE2 3.81Å; N717-F719 HydrophobicContact CB-CG 3.93Å; N717-F719 HydrophobicContact CB-CZ 3.46Å; N717-F719 VanDerWaalsContact CB-CZ 3.46Å; N717-F719 PolarHBondContact O-N 3.38Å; F719-V723 HydrophobicContact CB-CB 4.08Å; F719-V723 HydrophobicContact CB-CG1 4.18Å; F719-V723 HydrophobicContact CB-CG2 4.23Å; F719-V723 HydrophobicContact CD1-CB 4.35Å; F719-V723 HydrophobicContact CD1-CG1 4.01Å; F719-V723 HydrophobicContact CD1-CG2 3.89Å; F719-V723 HydrophobicContact CD2-CG1 3.82Å; F719-V723 HydrophobicContact CE1-CG1 4.3Å; F719-V723 HydrophobicContact CE2-CG1 4.11Å; F719-V723 HydrophobicContact CG-CB 4.13Å; F719-V723 HydrophobicContact CG-CG1 3.76Å; F719-V723 HydrophobicContact CG-CG2 4.16Å; F719-V723 HydrophobicContact CZ-CG1 4.36Å; F719-M724 HydrophobicContact CB-CE 3.98Å; F719-M724 HydrophobicContact CD2-CE 4.22Å; F719-N746 HydrophobicContact CB-CB 4.14Å; F719-N746 WeakPolarHBondContact CB-OD1 3.41Å; F719-N746 PolarHBondContact N-OD1 3.05Å; F719-A747 CarbonylContact O-C 3.48Å; F719-A747 VanDerWaalsContact O-C 3.3Å; F719-A747 WeakPolarHBondContact O-CA 3.41Å; F719-A747 PolarHBondContact O-N 3.3Å
720	K	94.4	Very high	94.8	Very high	119 Å²	119	40.6 Å²	40.6	52%	0.517	21%	0.208	S	C	.	.			trans	-115.7	-169.8	177	-63.2	-178.8	-177.2	177.2	0	110.1	D722 V723 M724 A747	K720-D722 VanDerWaalsContact C-N 3.29Å; K720-D722 PolarHBondContact O-N 2.83Å; K720-V723 PolarHBondContact O-N 3.43Å; K720-M724 PolarHBondContact O-N 2.56Å; K720-A747 HydrophobicContact CG-CB 4.14Å
721	D	96.2	Very high	94.8	Very high	39 Å²	39	39.2 Å²	39.2	21%	0.209	20%	0.198	C	C	.	.	H	α-helix	trans	-64.3	-28.4	-173	-56.6	-39.6	0	0	0	114.3	M724 E725 S749 K751 G752	D721-M724 WeakPolarHBondContact O-CB 3.48Å; D721-M724 PolarHBondContact O-N 2.84Å; D721-E725 PolarHBondContact O-N 3.37Å; D721-S749 WeakPolarHBondContact OD1-CA 3.45Å; D721-S749 WeakPolarHBondContact OD1-CB 3.41Å; D721-S749 PolarHBondContact OD1-N 3.33Å; D721-S749 PolarHBondContact OD1-OG 2.86Å; D721-S749 PolarHBondContact OD2-OG 3.41Å; D721-K751 HydrophobicContact CB-CB 4.04Å; D721-G752 VanDerWaalsContact CG-N 3.32Å; D721-G752 WeakPolarHBondContact OD1-CA 3.45Å; D721-G752 PolarHBondContact OD1-N 3.29Å
722	D	95.4	Very high	94.6	Very high	80 Å²	80	40.7 Å²	40.7	43%	0.428	21%	0.211	S	C	.	.	H	α-helix	trans	-65.6	-42.4	176.9	56.9	-20.9	0	0	0	112.4	Y696 K720 M724 E725 L726	Y696-D722 HydrophobicContact CD2-CB 4.4Å; Y696-D722 WeakPolarHBondContact CD2-OD2 3.36Å; Y696-D722 HydrophobicContact CE2-CB 4.01Å; K720-D722 VanDerWaalsContact C-N 3.29Å; K720-D722 PolarHBondContact O-N 2.83Å; D722-M724 PolarHBondContact O-N 3.43Å; D722-E725 PolarHBondContact O-N 3.04Å; D722-L726 PolarHBondContact O-N 3.38Å
723	V	96.2	Very high	94.1	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-63.7	-33.4	172.5	-177.4	0	0	0	0	110.7	Y696 V699 F719 K720 E725 L726 L727	Y696-V723 HydrophobicContact CD2-CG2 3.72Å; V699-V723 HydrophobicContact CG1-CG1 4.07Å; V699-V723 HydrophobicContact CG2-CG1 4.32Å; F719-V723 HydrophobicContact CB-CB 4.08Å; F719-V723 HydrophobicContact CB-CG1 4.18Å; F719-V723 HydrophobicContact CB-CG2 4.23Å; F719-V723 HydrophobicContact CD1-CB 4.35Å; F719-V723 HydrophobicContact CD1-CG1 4.01Å; F719-V723 HydrophobicContact CD1-CG2 3.89Å; F719-V723 HydrophobicContact CD2-CG1 3.82Å; F719-V723 HydrophobicContact CE1-CG1 4.3Å; F719-V723 HydrophobicContact CE2-CG1 4.11Å; F719-V723 HydrophobicContact CG-CB 4.13Å; F719-V723 HydrophobicContact CG-CG1 3.76Å; F719-V723 HydrophobicContact CG-CG2 4.16Å; F719-V723 HydrophobicContact CZ-CG1 4.36Å; K720-V723 PolarHBondContact O-N 3.43Å; V723-E725 VanDerWaalsContact C-N 3.34Å; V723-E725 PolarHBondContact O-N 2.91Å; V723-L726 WeakPolarHBondContact O-CB 3.42Å; V723-L726 PolarHBondContact O-N 3.08Å; V723-L727 HydrophobicContact CG1-CD1 4.07Å; V723-L727 HydrophobicContact CG1-CG 4.16Å; V723-L727 WeakPolarHBondContact O-CG 3.39Å; V723-L727 PolarHBondContact O-N 3.19Å
724	M	96.9	Very high	93.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-70	-28.3	178.5	-62	-56.7	105.3	0	0	113.2	F719 K720 D721 D722 L727 G728 L743 I748 A755 L756	F719-M724 HydrophobicContact CB-CE 3.98Å; F719-M724 HydrophobicContact CD2-CE 4.22Å; K720-M724 PolarHBondContact O-N 2.56Å; D721-M724 WeakPolarHBondContact O-CB 3.48Å; D721-M724 PolarHBondContact O-N 2.84Å; D722-M724 PolarHBondContact O-N 3.43Å; M724-L727 HydrophobicContact CE-CD1 3.75Å; M724-G728 WeakPolarHBondContact O-CA 3.25Å; M724-G728 PolarHBondContact O-N 3.14Å; M724-L743 HydrophobicContact CE-CD2 4.26Å; M724-L743 HydrophobicContact SD-CD1 3.89Å; M724-I748 HydrophobicContact CE-CD1 3.89Å; M724-I748 HydrophobicContact CE-CG1 4.05Å; M724-I748 HydrophobicContact CG-CD1 4.23Å; M724-I748 HydrophobicContact CG-CG1 3.92Å; M724-I748 HydrophobicContact CG-CG2 3.93Å; M724-I748 HydrophobicContact SD-CD1 3.46Å; M724-I748 WeakPolarHBondContact SD-CD1 2.99Å; M724-I748 HydrophobicContact SD-CG1 3.79Å; M724-I748 HydrophobicContact SD-CG2 4.41Å; M724-A755 HydrophobicContact CB-CB 4.17Å; M724-L756 HydrophobicContact CB-CG 4.44Å; M724-L756 HydrophobicContact SD-CD1 3.87Å; M724-L756 HydrophobicContact SD-CD2 4.14Å; M724-L756 HydrophobicContact SD-CG 4.16Å
725	E	95.8	Very high	92.2	Very high	96 Å²	96	44.3 Å²	44.3	45%	0.449	24%	0.237	S	C	.	.	H	α-helix	trans	-67.8	-39.9	170	-68.3	-73.3	177.5	0	0	110.7	D721 D722 V723 G728 S729 A755 R758	D721-E725 PolarHBondContact O-N 3.37Å; D722-E725 PolarHBondContact O-N 3.04Å; V723-E725 VanDerWaalsContact C-N 3.34Å; V723-E725 PolarHBondContact O-N 2.91Å; E725-G728 PolarHBondContact O-N 3.26Å; E725-S729 PolarHBondContact O-N 3.12Å; E725-A755 VanDerWaalsContact CD-CB 3.49Å; E725-A755 HydrophobicContact CG-CB 3.98Å; E725-R758 IonicContact OE1-NH1 2.7Å; E725-R758 PolarHBondContact OE1-NH1 2.99Å; E725-R758 IonicContact OE2-NH1 2.69Å
726	L	95.1	Very high	91.6	Very high	31 Å²	31	43.7 Å²	43.7	16%	0.162	23%	0.234	C	C	.	.	H	α-helix	trans	-63.2	-53	173.8	-63	179.8	0	0	0	111.4	Y696 K700 L703 D722 V723 G728 S729 L730	Y696-L726 HydrophobicContact CD2-CD1 4.23Å; Y696-L726 HydrophobicContact CE2-CD1 3.63Å; Y696-L726 HydrophobicContact CE2-CG 4.4Å; K700-L726 HydrophobicContact CB-CD1 4.03Å; K700-L726 HydrophobicContact CG-CD1 4.44Å; L703-L726 HydrophobicContact CD1-CB 4.09Å; L703-L726 HydrophobicContact CD2-CB 4Å; L703-L726 HydrophobicContact CD2-CD2 4.25Å; D722-L726 PolarHBondContact O-N 3.38Å; V723-L726 WeakPolarHBondContact O-CB 3.42Å; V723-L726 PolarHBondContact O-N 3.08Å; L726-G728 VanDerWaalsContact C-N 3.28Å; L726-G728 PolarHBondContact O-N 3.26Å; L726-S729 WeakPolarHBondContact O-CB 3.48Å; L726-S729 PolarHBondContact O-N 3.13Å; L726-S729 VanDerWaalsContact O-N 3.13Å; L726-S729 PolarHBondContact O-OG 3.33Å; L726-L730 PolarHBondContact O-N 2.65Å; L726-L730 VanDerWaalsContact O-N 3.1Å
727	L	95.6	Very high	91.1	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-66.1	-31.9	178.8	-65.5	-178.8	0	0	0	112.1	V699 L703 L706 L714 V723 M724 S729 L730 L731 L743	V699-L727 HydrophobicContact CG1-CD2 4.23Å; L703-L727 HydrophobicContact CD1-CD2 3.99Å; L706-L727 HydrophobicContact CD1-CD2 4.48Å; L714-L727 HydrophobicContact CD1-CD1 3.84Å; L714-L727 HydrophobicContact CD1-CD2 4.36Å; V723-L727 HydrophobicContact CG1-CD1 4.07Å; V723-L727 HydrophobicContact CG1-CG 4.16Å; V723-L727 WeakPolarHBondContact O-CG 3.39Å; V723-L727 PolarHBondContact O-N 3.19Å; M724-L727 HydrophobicContact CE-CD1 3.75Å; L727-S729 VanDerWaalsContact C-N 3.33Å; L727-L730 WeakPolarHBondContact O-CB 3.49Å; L727-L730 PolarHBondContact O-N 3.39Å; L727-L731 WeakPolarHBondContact O-CB 3.45Å; L727-L731 VanDerWaalsContact O-CG 3.32Å; L727-L731 WeakPolarHBondContact O-CG 3.24Å; L727-L731 PolarHBondContact O-N 2.92Å; L727-L743 HydrophobicContact CD1-CD2 3.67Å
728	G	94.7	Very high	91	Very high	5 Å²	5	40.8 Å²	40.8	5%	0.052	22%	0.217	C	C	.	.	H	α-helix	trans	-61.8	-41.4	171.8	0	0	0	0	0	111.9	M724 E725 L726 L730 L731 S732 A759	M724-G728 WeakPolarHBondContact O-CA 3.25Å; M724-G728 PolarHBondContact O-N 3.14Å; E725-G728 PolarHBondContact O-N 3.26Å; L726-G728 VanDerWaalsContact C-N 3.28Å; L726-G728 PolarHBondContact O-N 3.26Å; G728-L730 VanDerWaalsContact C-N 3.33Å; G728-L730 PolarHBondContact O-N 2.83Å; G728-L731 PolarHBondContact O-N 2.87Å; G728-S732 WeakPolarHBondContact O-CB 3.3Å; G728-S732 PolarHBondContact O-N 3.09Å; G728-S732 PolarHBondContact O-OG 2.95Å; G728-A759 VanDerWaalsContact O-CB 3.28Å; G728-A759 WeakPolarHBondContact O-CB 3.38Å
729	S	91.9	Very high	91.1	Very high	66 Å²	66	39.3 Å²	39.3	46%	0.462	21%	0.206	S	C	.	.	H	α-helix	trans	-63.5	-39.5	174	77.6	0	0	0	0	112.1	E725 L726 L727 S732 A733	E725-S729 PolarHBondContact O-N 3.12Å; L726-S729 WeakPolarHBondContact O-CB 3.48Å; L726-S729 PolarHBondContact O-N 3.13Å; L726-S729 VanDerWaalsContact O-N 3.13Å; L726-S729 PolarHBondContact O-OG 3.33Å; L727-S729 VanDerWaalsContact C-N 3.33Å; S729-S732 PolarHBondContact O-N 3.2Å; S729-A733 PolarHBondContact O-N 3.34Å
730	L	92.3	Very high	91.2	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.037	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-48.7	176.1	-177.6	150.8	0	0	0	112.2	L703 L706 L707 L726 L727 G728 S732 A733 L738	L703-L730 HydrophobicContact CD1-CB 4Å; L703-L730 HydrophobicContact CD1-CD1 3.73Å; L703-L730 HydrophobicContact CG-CB 4.42Å; L703-L730 HydrophobicContact CG-CD1 4.13Å; L703-L730 WeakPolarHBondContact O-CD1 3.41Å; L706-L730 HydrophobicContact CB-CD1 3.6Å; L707-L730 HydrophobicContact CD2-CD2 4.1Å; L707-L730 HydrophobicContact CD2-CG 3.75Å; L707-L730 HydrophobicContact CG-CD1 4.26Å; L707-L730 HydrophobicContact CG-CG 3.98Å; L726-L730 PolarHBondContact O-N 2.65Å; L726-L730 VanDerWaalsContact O-N 3.1Å; L727-L730 WeakPolarHBondContact O-CB 3.49Å; L727-L730 PolarHBondContact O-N 3.39Å; G728-L730 VanDerWaalsContact C-N 3.33Å; G728-L730 PolarHBondContact O-N 2.83Å; L730-S732 PolarHBondContact O-N 2.96Å; L730-A733 WeakPolarHBondContact O-CB 3.28Å; L730-A733 PolarHBondContact O-N 3.5Å; L730-L738 HydrophobicContact CD2-CD1 3.42Å; L730-L738 VanDerWaalsContact CD2-CD1 3.42Å
731	L	92.8	Very high	91.4	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-66.1	-21.8	178.3	-70.3	172.8	0	0	0	112.4	L727 G728 L738 L756 A759 N763	L727-L731 WeakPolarHBondContact O-CB 3.45Å; L727-L731 VanDerWaalsContact O-CG 3.32Å; L727-L731 WeakPolarHBondContact O-CG 3.24Å; L727-L731 PolarHBondContact O-N 2.92Å; G728-L731 PolarHBondContact O-N 2.87Å; L731-L738 HydrophobicContact CD2-CB 4.35Å; L731-L738 HydrophobicContact CD2-CD1 3.89Å; L731-L756 HydrophobicContact CD1-CD2 4.05Å; L731-A759 HydrophobicContact CB-CB 3.8Å; L731-N763 WeakPolarHBondContact O-CB 3.39Å; L731-N763 PolarHBondContact O-ND2 3.35Å
732	S	90.9	Very high	91.4	Very high	52 Å²	52	36.6 Å²	36.6	36%	0.364	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-9.6	174.9	-54.9	0	0	0	0	113.4	G728 S729 L730 A759	G728-S732 WeakPolarHBondContact O-CB 3.3Å; G728-S732 PolarHBondContact O-N 3.09Å; G728-S732 PolarHBondContact O-OG 2.95Å; S729-S732 PolarHBondContact O-N 3.2Å; L730-S732 PolarHBondContact O-N 2.96Å; S732-A759 WeakPolarHBondContact OG-CA 3.47Å; S732-A759 WeakPolarHBondContact OG-CB 3.3Å
733	A	85	Confident	91.6	Very high	36 Å²	36	32.8 Å²	32.8	30%	0.298	17%	0.174	S	C	.	.	S	Bend	trans	-67.2	141.8	-178.3	0	0	0	0	0	111.4	L707 S729 L730 D735 C736	L707-A733 HydrophobicContact CD2-CB 3.62Å; S729-A733 PolarHBondContact O-N 3.34Å; L730-A733 WeakPolarHBondContact O-CB 3.28Å; L730-A733 PolarHBondContact O-N 3.5Å; A733-D735 PolarHBondContact O-N 3.09Å; A733-C736 HydrophobicContact CB-CB 4.49Å; A733-C736 VanDerWaalsContact O-CB 3.23Å; A733-C736 WeakPolarHBondContact O-CB 3.45Å; A733-C736 PolarHBondContact O-N 3.33Å; A733-C736 VanDerWaalsContact O-N 3.15Å
734	K	76.8	Confident	91.6	Very high	126 Å²	126	32.6 Å²	32.6	55%	0.548	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-33.2	178.9	-71.1	-179	172.2	-178.2	0	113	G171 C736	G171-K734 PolarHBondContact O-NZ 3.1Å; G171-K734 VanDerWaalsContact O-NZ 3.13Å; K734-C736 VanDerWaalsContact C-N 3.32Å
735	D	74.3	Confident	91.7	Very high	21 Å²	21	36.7 Å²	36.7	11%	0.112	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	18.3	-179.2	-61.5	-38	0	0	0	112.8	S173 R193 A733 H737	S173-D735 WeakPolarHBondContact CB-OD2 3.45Å; S173-D735 PolarHBondContact OG-OD2 2.58Å; R193-D735 IonicContact CZ-OD1 3.82Å; R193-D735 IonicContact NE-OD1 3.77Å; R193-D735 IonicContact NH2-OD1 3.99Å; R193-D735 PolarHBondContact NH2-OD1 2.83Å; A733-D735 PolarHBondContact O-N 3.09Å; D735-H737 PolarHBondContact O-CD2 2.77Å; D735-H737 PolarHBondContact O-N 3.19Å; D735-H737 PolarHBondContact O-NE2 3.03Å
736	C	83.6	Confident	91.7	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.027	17%	0.173	C	C	.	.			trans	-74.2	118.9	179.2	-176.2	0	0	0	0	111.2	L707 A733 K734 T765	L707-C736 HydrophobicContact CD2-CB 4.02Å; A733-C736 HydrophobicContact CB-CB 4.49Å; A733-C736 VanDerWaalsContact O-CB 3.23Å; A733-C736 WeakPolarHBondContact O-CB 3.45Å; A733-C736 PolarHBondContact O-N 3.33Å; A733-C736 VanDerWaalsContact O-N 3.15Å; K734-C736 VanDerWaalsContact C-N 3.32Å; C736-T765 WeakPolarHBondContact O-CG2 3.46Å; C736-T765 PolarHBondContact O-OG1 2.91Å; C736-T765 VanDerWaalsContact O-OG1 3.11Å
737	H	83.2	Confident	91.8	Very high	50 Å²	50	32.6 Å²	32.6	23%	0.231	18%	0.178	C	C	.	.			trans	-102.3	1.3	178.7	-62.8	-65.6	0	0	0	114.4	C709 D735 Q739	C709-H737 CarbonylContact O-C 3.57Å; D735-H737 PolarHBondContact O-CD2 2.77Å; D735-H737 PolarHBondContact O-N 3.19Å; D735-H737 PolarHBondContact O-NE2 3.03Å; H737-Q739 PolarHBondContact O-N 2.87Å
738	L	91.8	Very high	91.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.178	C	C	.	.			trans	-62.6	118.3	-177.8	-78	168.1	0	0	0	112.1	C709 L712 L730 L731 T765 L766	C709-L738 HydrophobicContact CB-CD2 3.64Å; C709-L738 WeakPolarHBondContact O-CA 3.44Å; C709-L738 VanDerWaalsContact O-CD2 3.24Å; C709-L738 WeakPolarHBondContact O-CD2 3.47Å; C709-L738 WeakPolarHBondContact O-CG 3.08Å; C709-L738 PolarHBondContact O-N 2.95Å; L712-L738 HydrophobicContact CB-CD2 3.49Å; L712-L738 VanDerWaalsContact CB-CD2 3.49Å; L712-L738 HydrophobicContact CD2-CD1 4.28Å; L712-L738 HydrophobicContact CD2-CD2 4.21Å; L730-L738 HydrophobicContact CD2-CD1 3.42Å; L730-L738 VanDerWaalsContact CD2-CD1 3.42Å; L731-L738 HydrophobicContact CD2-CB 4.35Å; L731-L738 HydrophobicContact CD2-CD1 3.89Å; L738-T765 CarbonylContact O-C 3.58Å; L738-T765 VanDerWaalsContact O-C 3.26Å; L738-T765 PolarHBondContact O-OG1 3.48Å; L738-L766 WeakPolarHBondContact O-CA 3.48Å; L738-L766 PolarHBondContact O-N 2.9Å
739	Q	94.8	Very high	92.1	Very high	83 Å²	83	33.7 Å²	33.7	39%	0.388	19%	0.185	S	C	.	.	S	Bend	trans	-97.7	-32.2	174.5	-64.7	-175.8	2.3	0	0	112.3	S710 H737 T765 I767 T768	S710-Q739 PolarHBondContact O-N 3.35Å; H737-Q739 PolarHBondContact O-N 2.87Å; Q739-T765 WeakPolarHBondContact CA-O 3.41Å; Q739-I767 HydrophobicContact CB-CD1 4.29Å; Q739-I767 HydrophobicContact CG-CD1 4.35Å; Q739-I767 WeakPolarHBondContact O-CA 3.48Å; Q739-I767 PolarHBondContact O-N 2.94Å; Q739-T768 PolarHBondContact O-N 2.93Å
740	K	97.6	Very high	92.3	Very high	88 Å²	88	33.2 Å²	33.2	38%	0.383	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	131.2	179.2	-54.7	-178.3	-168.1	154.7	0	109.9	S710 H711 L712 T768	S710-K740 PolarHBondContact O-N 3.2Å; S710-K740 VanDerWaalsContact O-N 3.08Å; H711-K740 WeakPolarHBondContact CA-O 3.32Å; H711-K740 HydrophobicContact CB-CB 4.16Å; H711-K740 VanDerWaalsContact CD2-CD 3.48Å; H711-K740 WeakPolarHBondContact CD2-CD 3.27Å; H711-K740 VanDerWaalsContact CD2-CG 3.41Å; H711-K740 WeakPolarHBondContact CD2-CG 3.43Å; H711-K740 PolarHBondContact CE1-NZ 3.2Å; H711-K740 WeakPolarHBondContact NE2-CE 3.26Å; H711-K740 PolarHBondContact NE2-NZ 3.37Å; L712-K740 PolarHBondContact N-O 3.14Å; K740-T768 WeakPolarHBondContact CA-O 3.42Å
741	I	97.8	Very high	92.6	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.6	171.9	-163.2	174.6	0	0	0	110	L712 L714 L743 L766 T768 L769 D770	L712-I741 HydrophobicContact CB-CG1 4.44Å; L712-I741 CarbonylContact O-C 3.55Å; L712-I741 VanDerWaalsContact O-CA 3.32Å; L712-I741 WeakPolarHBondContact O-CA 3.34Å; L714-I741 HydrophobicContact CD1-CD1 4.25Å; I741-L743 HydrophobicContact CD1-CD1 4.42Å; I741-L743 HydrophobicContact CD1-CD2 4.11Å; I741-L743 HydrophobicContact CD1-CG 4.24Å; I741-L743 HydrophobicContact CG1-CD2 4.33Å; I741-L743 HydrophobicContact CG1-CG 4.21Å; I741-L766 HydrophobicContact CB-CD1 4.09Å; I741-L766 HydrophobicContact CG2-CD1 3.74Å; I741-L766 HydrophobicContact CG2-CD2 3.93Å; I741-L766 HydrophobicContact CG2-CG 4.47Å; I741-T768 PolarHBondContact N-O 3.23Å; I741-T768 VanDerWaalsContact N-O 3.09Å; I741-L769 HydrophobicContact CG2-CD1 3.46Å; I741-L769 VanDerWaalsContact CG2-CD1 3.46Å; I741-D770 PolarHBondContact O-N 2.91Å
742	S	98.1	Very high	92.8	Very high	11 Å²	11	39.7 Å²	39.7	8%	0.077	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.9	168.6	-175.1	0	0	0	0	110	L712 L714 E715	L712-S742 PolarHBondContact O-N 3.06Å; L714-S742 WeakPolarHBondContact CA-O 3.46Å; L714-S742 PolarHBondContact N-O 2.93Å; E715-S742 WeakPolarHBondContact CG-OG 3.46Å; E715-S742 WeakPolarHBondContact OE1-CB 3.4Å; E715-S742 PolarHBondContact OE1-OG 3.5Å
743	L	97.9	Very high	93.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.187	C	C	.	.			trans	-112.4	25	174.4	-63.2	171.4	0	0	0	110.3	L714 M724 L727 I741 N746 I748 L756 L769 D770 L771 N774	L714-L743 HydrophobicContact CB-CD2 4.06Å; L714-L743 HydrophobicContact CD1-CD2 3.81Å; M724-L743 HydrophobicContact CE-CD2 4.26Å; M724-L743 HydrophobicContact SD-CD1 3.89Å; L727-L743 HydrophobicContact CD1-CD2 3.67Å; I741-L743 HydrophobicContact CD1-CD1 4.42Å; I741-L743 HydrophobicContact CD1-CD2 4.11Å; I741-L743 HydrophobicContact CD1-CG 4.24Å; I741-L743 HydrophobicContact CG1-CD2 4.33Å; I741-L743 HydrophobicContact CG1-CG 4.21Å; L743-N746 PolarHBondContact O-ND2 3.25Å; L743-I748 HydrophobicContact CB-CD1 3.83Å; L743-I748 HydrophobicContact CD1-CD1 4.32Å; L743-L756 HydrophobicContact CD1-CD1 3.91Å; L743-L756 HydrophobicContact CD1-CD2 4.13Å; L743-L769 HydrophobicContact CD1-CD1 4.4Å; L743-D770 PolarHBondContact N-O 2.9Å; L743-L771 HydrophobicContact CB-CD2 4.07Å; L743-L771 HydrophobicContact CD1-CD2 4.05Å; L743-N774 PolarHBondContact O-ND2 2.87Å
744	A	97.8	Very high	93.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	151.2	-177.5	0	0	0	0	0	113	E715 N716 N746 R772	E715-A744 CarbonylContact C-O 3.53Å; E715-A744 WeakPolarHBondContact CA-O 3.34Å; E715-A744 HydrophobicContact CB-CB 4.17Å; E715-A744 HydrophobicContact CG-CB 3.83Å; N716-A744 PolarHBondContact N-O 3.16Å; A744-N746 VanDerWaalsContact C-N 3.25Å; A744-N746 PolarHBondContact O-N 2.95Å; A744-N746 PolarHBondContact O-ND2 3.48Å; A744-N746 VanDerWaalsContact O-ND2 3.08Å; A744-R772 CarbonylContact C-O 3.6Å; A744-R772 VanDerWaalsContact CA-O 3.24Å; A744-R772 WeakPolarHBondContact CA-O 3.28Å; A744-R772 HydrophobicContact CB-CG 3.36Å
745	E	97.4	Very high	94.7	Very high	86 Å²	86	33.6 Å²	33.6	40%	0.402	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	37.9	168	-61.3	166.4	-133.5	0	0	112.6	N716 R772 S773	N716-E745 VanDerWaalsContact CA-O 3.24Å; N716-E745 WeakPolarHBondContact CA-O 3.39Å; N716-E745 HydrophobicContact CB-CB 4.27Å; N716-E745 PolarHBondContact N-O 3.19Å; E745-R772 PolarHBondContact N-O 2.84Å; E745-R772 IonicContact OE1-CZ 2.74Å; E745-R772 IonicContact OE1-NE 2.89Å; E745-R772 IonicContact OE1-NH2 2.95Å; E745-R772 PolarHBondContact OE1-NH2 2.65Å; E745-S773 VanDerWaalsContact CA-O 3.28Å; E745-S773 WeakPolarHBondContact CA-O 3.49Å; E745-S773 PolarHBondContact N-O 2.87Å
746	N	97.2	Very high	95.8	Very high	10 Å²	10	32.7 Å²	32.7	5%	0.053	16%	0.161	C	C	.	.	S	Bend	trans	-110.2	-172.9	172.6	-74.9	-70.6	0	0	0	109.9	L714 N717 N718 F719 L743 A744 I748 N774	L714-N746 PolarHBondContact O-ND2 3.36Å; N717-N746 PolarHBondContact N-OD1 2.88Å; N717-N746 VanDerWaalsContact N-OD1 3.08Å; N718-N746 PolarHBondContact N-OD1 2.85Å; N718-N746 VanDerWaalsContact N-OD1 3.1Å; F719-N746 HydrophobicContact CB-CB 4.14Å; F719-N746 WeakPolarHBondContact CB-OD1 3.41Å; F719-N746 PolarHBondContact N-OD1 3.05Å; L743-N746 PolarHBondContact O-ND2 3.25Å; A744-N746 VanDerWaalsContact C-N 3.25Å; A744-N746 PolarHBondContact O-N 2.95Å; A744-N746 PolarHBondContact O-ND2 3.48Å; A744-N746 VanDerWaalsContact O-ND2 3.08Å; N746-I748 HydrophobicContact CB-CD1 4.23Å; N746-I748 HydrophobicContact CB-CG1 4.1Å; N746-N774 WeakPolarHBondContact CA-OD1 3.33Å; N746-N774 VanDerWaalsContact CB-OD1 3.3Å; N746-N774 WeakPolarHBondContact CB-OD1 3.43Å; N746-N774 PolarHBondContact N-OD1 3.46Å; N746-N774 PolarHBondContact O-OD1 3.18Å
747	A	96.7	Very high	96.5	Very high	31 Å²	31	33 Å²	33	26%	0.256	16%	0.163	S	C	.	.			trans	-109.5	38.5	179.3	0	0	0	0	0	111.6	F719 K720 S749	F719-A747 CarbonylContact O-C 3.48Å; F719-A747 VanDerWaalsContact O-C 3.3Å; F719-A747 WeakPolarHBondContact O-CA 3.41Å; F719-A747 PolarHBondContact O-N 3.3Å; K720-A747 HydrophobicContact CG-CB 4.14Å; A747-S749 PolarHBondContact O-N 2.85Å
748	I	97.8	Very high	97.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.175	C	C	.	.			trans	-72.2	122.8	-177	-58.9	164.5	0	0	0	109.8	M724 L743 N746 L771 N774 N775 I776	M724-I748 HydrophobicContact CE-CD1 3.89Å; M724-I748 HydrophobicContact CE-CG1 4.05Å; M724-I748 HydrophobicContact CG-CD1 4.23Å; M724-I748 HydrophobicContact CG-CG1 3.92Å; M724-I748 HydrophobicContact CG-CG2 3.93Å; M724-I748 HydrophobicContact SD-CD1 3.46Å; M724-I748 WeakPolarHBondContact SD-CD1 2.99Å; M724-I748 HydrophobicContact SD-CG1 3.79Å; M724-I748 HydrophobicContact SD-CG2 4.41Å; L743-I748 HydrophobicContact CB-CD1 3.83Å; L743-I748 HydrophobicContact CD1-CD1 4.32Å; N746-I748 HydrophobicContact CB-CD1 4.23Å; N746-I748 HydrophobicContact CB-CG1 4.1Å; I748-L771 HydrophobicContact CD1-CD2 4.24Å; I748-N774 HydrophobicContact CB-CB 4.22Å; I748-N774 VanDerWaalsContact CB-OD1 3.28Å; I748-N774 WeakPolarHBondContact CB-OD1 3.39Å; I748-N774 WeakPolarHBondContact CD1-OD1 3.44Å; I748-N774 VanDerWaalsContact CG1-OD1 3.3Å; I748-N774 WeakPolarHBondContact CG1-OD1 3.47Å; I748-N774 PolarHBondContact N-OD1 3.46Å; I748-N775 CarbonylContact O-C 3.31Å; I748-N775 VanDerWaalsContact O-CA 3.28Å; I748-N775 WeakPolarHBondContact O-CA 3.28Å; I748-N775 PolarHBondContact O-N 2.78Å; I748-I776 HydrophobicContact CG2-CG1 4.48Å; I748-I776 PolarHBondContact O-N 3.35Å
749	S	97.8	Very high	97.3	Very high	29 Å²	29	36.9 Å²	36.9	20%	0.203	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-96.2	-174	178.3	92.7	0	0	0	0	112.1	D721 A747 K751 G752 A753 N775	D721-S749 WeakPolarHBondContact OD1-CA 3.45Å; D721-S749 WeakPolarHBondContact OD1-CB 3.41Å; D721-S749 PolarHBondContact OD1-N 3.33Å; D721-S749 PolarHBondContact OD1-OG 2.86Å; D721-S749 PolarHBondContact OD2-OG 3.41Å; A747-S749 PolarHBondContact O-N 2.85Å; S749-K751 PolarHBondContact O-N 3.26Å; S749-K751 PolarHBondContact OG-N 2.82Å; S749-K751 VanDerWaalsContact OG-N 3.16Å; S749-G752 PolarHBondContact O-N 2.94Å; S749-A753 PolarHBondContact O-N 3.29Å; S749-N775 WeakPolarHBondContact CA-O 3.47Å
750	N	97.8	Very high	97.3	Very high	55 Å²	55	33 Å²	33	29%	0.294	16%	0.158	S	C	.	.	H	α-helix	trans	-58.2	-24.8	171.9	62.5	25.1	0	0	0	114.1	K754 I776 K779	N750-K754 PolarHBondContact O-N 3.01Å; N750-K754 VanDerWaalsContact O-N 3.1Å; N750-I776 WeakPolarHBondContact CB-O 3.5Å; N750-K779 HydrophobicContact CB-CB 4.03Å
751	K	97.6	Very high	97.1	Very high	146 Å²	146	32.5 Å²	32.5	64%	0.635	16%	0.159	S	C	*	.	H	α-helix	trans	-75.3	-44.2	176.6	-64.1	179.3	-178.1	176.2	0	111	D721 S749 A753 K754 A755	D721-K751 HydrophobicContact CB-CB 4.04Å; S749-K751 PolarHBondContact O-N 3.26Å; S749-K751 PolarHBondContact OG-N 2.82Å; S749-K751 VanDerWaalsContact OG-N 3.16Å; K751-A753 VanDerWaalsContact C-N 3.32Å; K751-A753 PolarHBondContact O-N 2.9Å; K751-K754 WeakPolarHBondContact O-CA 3.35Å; K751-K754 VanDerWaalsContact O-CB 3.26Å; K751-K754 WeakPolarHBondContact O-CB 3.32Å; K751-K754 PolarHBondContact O-N 3.21Å; K751-K754 VanDerWaalsContact O-N 3.09Å; K751-A755 PolarHBondContact O-N 3.47Å
752	G	97.4	Very high	96.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.7	-40.2	173.7	0	0	0	0	0	111.9	D721 S749 K754 A755 L756	D721-G752 VanDerWaalsContact CG-N 3.32Å; D721-G752 WeakPolarHBondContact OD1-CA 3.45Å; D721-G752 PolarHBondContact OD1-N 3.29Å; S749-G752 PolarHBondContact O-N 2.94Å; G752-K754 VanDerWaalsContact C-N 3.27Å; G752-K754 PolarHBondContact O-N 3.22Å; G752-A755 WeakPolarHBondContact O-CB 3.14Å; G752-A755 PolarHBondContact O-N 3.41Å; G752-A755 VanDerWaalsContact O-N 3.11Å; G752-L756 PolarHBondContact O-N 3.33Å
753	A	98.1	Very high	96.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.8	-36.7	171.7	0	0	0	0	0	112.6	S749 K751 L756 S757 I776 L784	S749-A753 PolarHBondContact O-N 3.29Å; K751-A753 VanDerWaalsContact C-N 3.32Å; K751-A753 PolarHBondContact O-N 2.9Å; A753-L756 PolarHBondContact O-N 3.31Å; A753-S757 WeakPolarHBondContact O-CB 3.48Å; A753-S757 PolarHBondContact O-N 3.06Å; A753-I776 HydrophobicContact CB-CG1 4.38Å; A753-I776 HydrophobicContact CB-CG2 3.98Å; A753-L784 HydrophobicContact CB-CD1 3.94Å; A753-L784 HydrophobicContact CB-CG 4.21Å
754	K	97.9	Very high	95.9	Very high	84 Å²	84	41.5 Å²	41.5	37%	0.365	20%	0.2	S	C	.	.	H	α-helix	trans	-64.4	-42.7	173.3	-170.8	-177.7	179.9	179.4	0	111.7	N750 K751 G752 S757 R758 F783	N750-K754 PolarHBondContact O-N 3.01Å; N750-K754 VanDerWaalsContact O-N 3.1Å; K751-K754 WeakPolarHBondContact O-CA 3.35Å; K751-K754 VanDerWaalsContact O-CB 3.26Å; K751-K754 WeakPolarHBondContact O-CB 3.32Å; K751-K754 PolarHBondContact O-N 3.21Å; K751-K754 VanDerWaalsContact O-N 3.09Å; G752-K754 VanDerWaalsContact C-N 3.27Å; G752-K754 PolarHBondContact O-N 3.22Å; K754-S757 WeakPolarHBondContact CA-OG 3.44Å; K754-S757 PolarHBondContact O-N 3.31Å; K754-S757 PolarHBondContact O-OG 3Å; K754-R758 PolarHBondContact O-N 3.36Å; K754-F783 HydrophobicContact CB-CB 4.39Å; K754-F783 HydrophobicContact CB-CD2 3.65Å; K754-F783 HydrophobicContact CB-CE2 3.99Å; K754-F783 HydrophobicContact CB-CG 3.96Å; K754-F783 HydrophobicContact CD-CD1 4.47Å; K754-F783 HydrophobicContact CD-CD2 4.43Å; K754-F783 HydrophobicContact CD-CE1 4.11Å; K754-F783 HydrophobicContact CD-CE2 4.06Å; K754-F783 HydrophobicContact CD-CZ 3.9Å; K754-F783 HydrophobicContact CG-CD1 4.08Å; K754-F783 HydrophobicContact CG-CD2 4.05Å; K754-F783 HydrophobicContact CG-CE1 4.23Å; K754-F783 HydrophobicContact CG-CE2 4.19Å; K754-F783 HydrophobicContact CG-CG 4.01Å; K754-F783 HydrophobicContact CG-CZ 4.29Å
755	A	96.7	Very high	95.6	Very high	2 Å²	2	42.2 Å²	42.2	2%	0.017	20%	0.204	C	C	.	.	H	α-helix	trans	-59.6	-48.7	175.8	0	0	0	0	0	111.4	M724 E725 K751 G752 S757 R758 A759	M724-A755 HydrophobicContact CB-CB 4.17Å; E725-A755 VanDerWaalsContact CD-CB 3.49Å; E725-A755 HydrophobicContact CG-CB 3.98Å; K751-A755 PolarHBondContact O-N 3.47Å; G752-A755 WeakPolarHBondContact O-CB 3.14Å; G752-A755 PolarHBondContact O-N 3.41Å; G752-A755 VanDerWaalsContact O-N 3.11Å; A755-S757 VanDerWaalsContact C-N 3.32Å; A755-S757 PolarHBondContact O-N 3.14Å; A755-R758 WeakPolarHBondContact O-CB 3.22Å; A755-R758 PolarHBondContact O-N 3.2Å; A755-A759 PolarHBondContact O-N 3.4Å
756	L	97.6	Very high	95.4	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-61.3	-39.2	176	-65.2	170.7	0	0	0	112.2	M724 L731 L743 G752 A753 R758 A759 L760 L771 L784	M724-L756 HydrophobicContact CB-CG 4.44Å; M724-L756 HydrophobicContact SD-CD1 3.87Å; M724-L756 HydrophobicContact SD-CD2 4.14Å; M724-L756 HydrophobicContact SD-CG 4.16Å; L731-L756 HydrophobicContact CD1-CD2 4.05Å; L743-L756 HydrophobicContact CD1-CD1 3.91Å; L743-L756 HydrophobicContact CD1-CD2 4.13Å; G752-L756 PolarHBondContact O-N 3.33Å; A753-L756 PolarHBondContact O-N 3.31Å; L756-R758 VanDerWaalsContact C-N 3.28Å; L756-R758 PolarHBondContact O-N 2.96Å; L756-A759 WeakPolarHBondContact O-CB 3.43Å; L756-A759 PolarHBondContact O-N 3.23Å; L756-A759 VanDerWaalsContact O-N 3.08Å; L756-L760 WeakPolarHBondContact O-CG 3.44Å; L756-L760 PolarHBondContact O-N 3.14Å; L756-L771 HydrophobicContact CD1-CD2 3.88Å; L756-L784 HydrophobicContact CB-CD2 4.15Å
757	S	97.1	Very high	95.4	Very high	11 Å²	11	40.5 Å²	40.5	8%	0.077	20%	0.197	C	C	.	.	H	α-helix	trans	-59.5	-37.3	178.4	75	0	0	0	0	112.9	A753 K754 A755 A759 L760 L761 F783 A787	A753-S757 WeakPolarHBondContact O-CB 3.48Å; A753-S757 PolarHBondContact O-N 3.06Å; K754-S757 WeakPolarHBondContact CA-OG 3.44Å; K754-S757 PolarHBondContact O-N 3.31Å; K754-S757 PolarHBondContact O-OG 3Å; A755-S757 VanDerWaalsContact C-N 3.32Å; A755-S757 PolarHBondContact O-N 3.14Å; S757-A759 VanDerWaalsContact C-N 3.33Å; S757-A759 PolarHBondContact O-N 3.08Å; S757-L760 PolarHBondContact O-N 3Å; S757-L761 PolarHBondContact O-N 3.45Å; S757-F783 VanDerWaalsContact CB-O 3.26Å; S757-F783 WeakPolarHBondContact CB-O 3.48Å; S757-A787 WeakPolarHBondContact O-CB 3.33Å
758	R	96.3	Very high	95.5	Very high	129 Å²	129	41 Å²	41	49%	0.487	20%	0.197	S	C	.	.	H	α-helix	trans	-64.3	-40.9	175.9	-68	169.5	173.9	157.9	-6.9	111.2	E725 K754 A755 L756 L761	E725-R758 IonicContact OE1-NH1 2.7Å; E725-R758 PolarHBondContact OE1-NH1 2.99Å; E725-R758 IonicContact OE2-NH1 2.69Å; K754-R758 PolarHBondContact O-N 3.36Å; A755-R758 WeakPolarHBondContact O-CB 3.22Å; A755-R758 PolarHBondContact O-N 3.2Å; L756-R758 VanDerWaalsContact C-N 3.28Å; L756-R758 PolarHBondContact O-N 2.96Å; R758-L761 PolarHBondContact O-N 3.27Å
759	A	95.3	Very high	95.5	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-66	-41.9	177.4	0	0	0	0	0	112	G728 L731 S732 A755 L756 S757 L761 V762 N763	G728-A759 VanDerWaalsContact O-CB 3.28Å; G728-A759 WeakPolarHBondContact O-CB 3.38Å; L731-A759 HydrophobicContact CB-CB 3.8Å; S732-A759 WeakPolarHBondContact OG-CA 3.47Å; S732-A759 WeakPolarHBondContact OG-CB 3.3Å; A755-A759 PolarHBondContact O-N 3.4Å; L756-A759 WeakPolarHBondContact O-CB 3.43Å; L756-A759 PolarHBondContact O-N 3.23Å; L756-A759 VanDerWaalsContact O-N 3.08Å; S757-A759 VanDerWaalsContact C-N 3.33Å; S757-A759 PolarHBondContact O-N 3.08Å; A759-L761 PolarHBondContact O-N 3.34Å; A759-V762 VanDerWaalsContact O-CG2 3.31Å; A759-V762 WeakPolarHBondContact O-CG2 3.39Å; A759-V762 PolarHBondContact O-N 2.63Å; A759-V762 VanDerWaalsContact O-N 3.14Å; A759-N763 VanDerWaalsContact O-CB 3.26Å; A759-N763 WeakPolarHBondContact O-CB 3.32Å; A759-N763 PolarHBondContact O-N 2.93Å
760	L	95.4	Very high	95.6	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-21.4	178.8	-68.4	176.7	0	0	0	114.1	L756 S757 V762 L766 L769 L784 A787 N791	L756-L760 WeakPolarHBondContact O-CG 3.44Å; L756-L760 PolarHBondContact O-N 3.14Å; S757-L760 PolarHBondContact O-N 3Å; L760-V762 VanDerWaalsContact C-N 3.33Å; L760-L766 HydrophobicContact CD2-CD2 3.88Å; L760-L769 HydrophobicContact CD1-CD2 4.01Å; L760-L784 HydrophobicContact CD1-CD2 3.8Å; L760-A787 HydrophobicContact CB-CB 3.94Å; L760-N791 PolarHBondContact O-ND2 2.9Å
761	L	93.8	Very high	95.6	Very high	77 Å²	77	38.1 Å²	38.1	40%	0.403	18%	0.18	S	C	.	.	H	α-helix	trans	-66.5	-36.5	174.9	-71.4	169.9	0	0	0	112.2	S757 R758 A759 R764 A787 M790	S757-L761 PolarHBondContact O-N 3.45Å; R758-L761 PolarHBondContact O-N 3.27Å; A759-L761 PolarHBondContact O-N 3.34Å; L761-R764 PolarHBondContact O-NH1 3.07Å; L761-R764 PolarHBondContact O-NH2 3.01Å; L761-A787 HydrophobicContact CD2-CB 4.17Å; L761-A787 HydrophobicContact CG-CB 4.16Å; L761-M790 HydrophobicContact CD2-CB 4.12Å; L761-M790 HydrophobicContact CD2-CG 4.27Å
762	V	90.6	Very high	95.6	Very high	81 Å²	81	33.7 Å²	33.7	49%	0.491	16%	0.159	S	C	.	.	H	α-helix	trans	-103.7	-26	-176	-63.1	0	0	0	0	113	A759 L760 R764	A759-V762 VanDerWaalsContact O-CG2 3.31Å; A759-V762 WeakPolarHBondContact O-CG2 3.39Å; A759-V762 PolarHBondContact O-N 2.63Å; A759-V762 VanDerWaalsContact O-N 3.14Å; L760-V762 VanDerWaalsContact C-N 3.33Å; V762-R764 PolarHBondContact O-N 3.26Å
763	N	90.6	Very high	95.7	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.027	17%	0.17	C	C	.	.			trans	-63	136.8	179.8	-176	-81.8	0	0	0	110.6	L731 A759 T765 L766	L731-N763 WeakPolarHBondContact O-CB 3.39Å; L731-N763 PolarHBondContact O-ND2 3.35Å; A759-N763 VanDerWaalsContact O-CB 3.26Å; A759-N763 WeakPolarHBondContact O-CB 3.32Å; A759-N763 PolarHBondContact O-N 2.93Å; N763-T765 PolarHBondContact ND2-OG1 2.89Å; N763-T765 PolarHBondContact OD1-N 3.3Å; N763-L766 VanDerWaalsContact OD1-CB 3.24Å; N763-L766 WeakPolarHBondContact OD1-CB 3.32Å; N763-L766 PolarHBondContact OD1-N 3.09Å
764	R	87.4	Confident	95.7	Very high	119 Å²	119	35.6 Å²	35.6	45%	0.449	17%	0.172	S	C	.	.			trans	-124.3	8.5	-178.7	-61.1	-62.5	176.6	-111.3	1.5	113.3	H195 L761 V762	H195-R764 PolarHBondContact CD2-O 3.35Å; H195-R764 PolarHBondContact NE2-O 2.89Å; L761-R764 PolarHBondContact O-NH1 3.07Å; L761-R764 PolarHBondContact O-NH2 3.01Å; V762-R764 PolarHBondContact O-N 3.26Å
765	T	90.6	Very high	95.7	Very high	16 Å²	16	36 Å²	36	10%	0.098	18%	0.178	C	C	.	.	S	Bend	trans	-118.7	-28.1	-171.6	52.6	0	0	0	0	113.5	C736 L738 Q739 N763 I767	C736-T765 WeakPolarHBondContact O-CG2 3.46Å; C736-T765 PolarHBondContact O-OG1 2.91Å; C736-T765 VanDerWaalsContact O-OG1 3.11Å; L738-T765 CarbonylContact O-C 3.58Å; L738-T765 VanDerWaalsContact O-C 3.26Å; L738-T765 PolarHBondContact O-OG1 3.48Å; Q739-T765 WeakPolarHBondContact CA-O 3.41Å; N763-T765 PolarHBondContact ND2-OG1 2.89Å; N763-T765 PolarHBondContact OD1-N 3.3Å; T765-I767 PolarHBondContact O-N 2.76Å
766	L	94.8	Very high	95.7	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.			trans	-76.7	117.9	-174.5	-166.1	73.6	0	0	0	111.7	L738 I741 L760 N763 L769 L794	L738-L766 WeakPolarHBondContact O-CA 3.48Å; L738-L766 PolarHBondContact O-N 2.9Å; I741-L766 HydrophobicContact CB-CD1 4.09Å; I741-L766 HydrophobicContact CG2-CD1 3.74Å; I741-L766 HydrophobicContact CG2-CD2 3.93Å; I741-L766 HydrophobicContact CG2-CG 4.47Å; L760-L766 HydrophobicContact CD2-CD2 3.88Å; N763-L766 VanDerWaalsContact OD1-CB 3.24Å; N763-L766 WeakPolarHBondContact OD1-CB 3.32Å; N763-L766 PolarHBondContact OD1-N 3.09Å; L766-L769 HydrophobicContact CD2-CB 4.17Å; L766-L769 HydrophobicContact CD2-CD1 4.46Å; L766-L794 HydrophobicContact CB-CD1 4.49Å; L766-L794 HydrophobicContact CD2-CD1 4.14Å; L766-L794 HydrophobicContact CG-CD1 4.03Å; L766-L794 WeakPolarHBondContact O-CD1 3.17Å
767	I	96.9	Very high	95.7	Very high	59 Å²	59	36.6 Å²	36.6	30%	0.303	19%	0.185	S	C	.	.			trans	-99.3	-37.1	-178.7	-59.9	171.8	0	0	0	110.9	Q739 T765 V793 L794 V795 S796	Q739-I767 HydrophobicContact CB-CD1 4.29Å; Q739-I767 HydrophobicContact CG-CD1 4.35Å; Q739-I767 WeakPolarHBondContact O-CA 3.48Å; Q739-I767 PolarHBondContact O-N 2.94Å; T765-I767 PolarHBondContact O-N 2.76Å; I767-V793 HydrophobicContact CG1-CG1 4.38Å; I767-L794 WeakPolarHBondContact O-CD1 3.5Å; I767-V795 HydrophobicContact CG2-CB 3.84Å; I767-V795 HydrophobicContact CG2-CG2 3.85Å; I767-V795 PolarHBondContact O-N 2.89Å; I767-S796 PolarHBondContact O-N 2.58Å; I767-S796 VanDerWaalsContact O-N 3.16Å
768	T	98.2	Very high	95.8	Very high	41 Å²	41	37.1 Å²	37.1	25%	0.252	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.9	-178.4	-53	0	0	0	0	111.6	Q739 K740 I741 S796	Q739-T768 PolarHBondContact O-N 2.93Å; K740-T768 WeakPolarHBondContact CA-O 3.42Å; I741-T768 PolarHBondContact N-O 3.23Å; I741-T768 VanDerWaalsContact N-O 3.09Å; T768-S796 WeakPolarHBondContact CA-O 3.49Å
769	L	98.4	Very high	95.8	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	113.4	175.2	176.3	57	0	0	0	110.2	I741 L743 L760 L766 L771 L794 S796 I797 N798	I741-L769 HydrophobicContact CG2-CD1 3.46Å; I741-L769 VanDerWaalsContact CG2-CD1 3.46Å; L743-L769 HydrophobicContact CD1-CD1 4.4Å; L760-L769 HydrophobicContact CD1-CD2 4.01Å; L766-L769 HydrophobicContact CD2-CB 4.17Å; L766-L769 HydrophobicContact CD2-CD1 4.46Å; L769-L771 HydrophobicContact CD1-CD1 4.4Å; L769-L771 HydrophobicContact CD1-CD2 4.22Å; L769-L771 HydrophobicContact CD1-CG 4.03Å; L769-L771 HydrophobicContact CD2-CD1 3.84Å; L769-L771 HydrophobicContact CD2-CG 4.37Å; L769-L771 HydrophobicContact CG-CD1 3.92Å; L769-L771 HydrophobicContact CG-CG 3.94Å; L769-L794 HydrophobicContact CB-CD1 3.97Å; L769-L794 HydrophobicContact CB-CD2 4.29Å; L769-S796 PolarHBondContact N-O 2.83Å; L769-S796 VanDerWaalsContact N-O 3.1Å; L769-I797 HydrophobicContact CB-CG1 4.38Å; L769-I797 HydrophobicContact CD2-CD1 4.14Å; L769-I797 WeakPolarHBondContact O-CA 3.42Å; L769-N798 PolarHBondContact O-N 3.34Å
770	D	98.6	Very high	96	Very high	22 Å²	22	38.1 Å²	38.1	12%	0.118	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	118.7	173.3	-169.4	-2.7	0	0	0	111.1	I741 L743 R772 N798	I741-D770 PolarHBondContact O-N 2.91Å; L743-D770 PolarHBondContact N-O 2.9Å; D770-R772 WeakPolarHBondContact OD1-CB 3.36Å; D770-R772 VanDerWaalsContact OD1-CG 3.32Å; D770-R772 WeakPolarHBondContact OD1-CG 3.29Å; D770-R772 PolarHBondContact OD1-N 3.1Å; D770-R772 IonicContact OD2-CZ 3.95Å; D770-R772 IonicContact OD2-NE 3.85Å; D770-R772 IonicContact OD2-NH1 3.87Å; D770-R772 PolarHBondContact OD2-NH1 2.97Å; D770-N798 HydrophobicContact CB-CB 4.38Å; D770-N798 WeakPolarHBondContact OD1-CB 3.32Å; D770-N798 PolarHBondContact OD1-ND2 2.82Å; D770-N798 VanDerWaalsContact OD1-ND2 3.1Å
771	L	98.4	Very high	96.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.			trans	-119.7	17.2	179.3	-68.2	164.6	0	0	0	111.8	L743 I748 L756 L769 N774 I776 L784 N798 F799 N802	L743-L771 HydrophobicContact CB-CD2 4.07Å; L743-L771 HydrophobicContact CD1-CD2 4.05Å; I748-L771 HydrophobicContact CD1-CD2 4.24Å; L756-L771 HydrophobicContact CD1-CD2 3.88Å; L769-L771 HydrophobicContact CD1-CD1 4.4Å; L769-L771 HydrophobicContact CD1-CD2 4.22Å; L769-L771 HydrophobicContact CD1-CG 4.03Å; L769-L771 HydrophobicContact CD2-CD1 3.84Å; L769-L771 HydrophobicContact CD2-CG 4.37Å; L769-L771 HydrophobicContact CG-CD1 3.92Å; L769-L771 HydrophobicContact CG-CG 3.94Å; L771-N774 PolarHBondContact O-ND2 3.11Å; L771-I776 HydrophobicContact CB-CD1 3.72Å; L771-I776 HydrophobicContact CD1-CD1 3.75Å; L771-I776 HydrophobicContact CD2-CD1 4.21Å; L771-I776 HydrophobicContact CG-CD1 4.11Å; L771-L784 HydrophobicContact CD1-CD1 3.74Å; L771-N798 CarbonylContact C-O 3.53Å; L771-N798 WeakPolarHBondContact CA-O 3.32Å; L771-N798 WeakPolarHBondContact CB-O 3.32Å; L771-N798 PolarHBondContact N-O 3.48Å; L771-F799 HydrophobicContact CD1-CD1 4.47Å; L771-F799 HydrophobicContact CD1-CE1 3.95Å; L771-N802 PolarHBondContact O-ND2 2.92Å
772	R	98.3	Very high	96.3	Very high	53 Å²	53	39.3 Å²	39.3	20%	0.2	20%	0.197	C	C	.	.			trans	-55.7	148.4	-174.7	70.5	-176.1	-166.3	-106	-3.3	112.9	E715 A744 E745 D770 N774 Q800	E715-R772 IonicContact OE1-CZ 3.4Å; E715-R772 IonicContact OE1-NH1 3.05Å; E715-R772 PolarHBondContact OE1-NH1 2.77Å; E715-R772 IonicContact OE1-NH2 2.68Å; E715-R772 PolarHBondContact OE1-NH2 3.16Å; E715-R772 VanDerWaalsContact OE1-NH2 3.07Å; E715-R772 IonicContact OE2-NH2 3.78Å; E715-R772 PolarHBondContact OE2-NH2 3.14Å; E715-R772 VanDerWaalsContact OE2-NH2 3.13Å; A744-R772 CarbonylContact C-O 3.6Å; A744-R772 VanDerWaalsContact CA-O 3.24Å; A744-R772 WeakPolarHBondContact CA-O 3.28Å; A744-R772 HydrophobicContact CB-CG 3.36Å; E745-R772 PolarHBondContact N-O 2.84Å; E745-R772 IonicContact OE1-CZ 2.74Å; E745-R772 IonicContact OE1-NE 2.89Å; E745-R772 IonicContact OE1-NH2 2.95Å; E745-R772 PolarHBondContact OE1-NH2 2.65Å; D770-R772 WeakPolarHBondContact OD1-CB 3.36Å; D770-R772 VanDerWaalsContact OD1-CG 3.32Å; D770-R772 WeakPolarHBondContact OD1-CG 3.29Å; D770-R772 PolarHBondContact OD1-N 3.1Å; D770-R772 IonicContact OD2-CZ 3.95Å; D770-R772 IonicContact OD2-NE 3.85Å; D770-R772 IonicContact OD2-NH1 3.87Å; D770-R772 PolarHBondContact OD2-NH1 2.97Å; R772-N774 PolarHBondContact O-ND2 3.11Å; R772-Q800 CarbonylContact C-O 3.47Å; R772-Q800 WeakPolarHBondContact CA-O 3.2Å; R772-Q800 HydrophobicContact CB-CB 3.9Å; R772-Q800 HydrophobicContact CB-CG 4.48Å
773	S	98.2	Very high	96.7	Very high	34 Å²	34	39 Å²	39	24%	0.238	19%	0.19	C	C	.	.	S	Bend	trans	54.7	57.9	176.2	-61.7	0	0	0	0	113	E745 Q800 N801	E745-S773 VanDerWaalsContact CA-O 3.28Å; E745-S773 WeakPolarHBondContact CA-O 3.49Å; E745-S773 PolarHBondContact N-O 2.87Å; S773-Q800 PolarHBondContact N-O 3.04Å; S773-N801 VanDerWaalsContact CA-O 3.22Å; S773-N801 WeakPolarHBondContact CA-O 3.39Å; S773-N801 PolarHBondContact N-O 3Å; S773-N801 PolarHBondContact OG-ND2 3.17Å
774	N	98.4	Very high	97	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.032	19%	0.189	C	C	.	.	S	Bend	trans	-129.6	-172.6	174	-82.8	-81.4	0	0	0	109.7	L743 N746 I748 L771 R772 I776 N801 N802	L743-N774 PolarHBondContact O-ND2 2.87Å; N746-N774 WeakPolarHBondContact CA-OD1 3.33Å; N746-N774 VanDerWaalsContact CB-OD1 3.3Å; N746-N774 WeakPolarHBondContact CB-OD1 3.43Å; N746-N774 PolarHBondContact N-OD1 3.46Å; N746-N774 PolarHBondContact O-OD1 3.18Å; I748-N774 HydrophobicContact CB-CB 4.22Å; I748-N774 VanDerWaalsContact CB-OD1 3.28Å; I748-N774 WeakPolarHBondContact CB-OD1 3.39Å; I748-N774 WeakPolarHBondContact CD1-OD1 3.44Å; I748-N774 VanDerWaalsContact CG1-OD1 3.3Å; I748-N774 WeakPolarHBondContact CG1-OD1 3.47Å; I748-N774 PolarHBondContact N-OD1 3.46Å; L771-N774 PolarHBondContact O-ND2 3.11Å; R772-N774 PolarHBondContact O-ND2 3.11Å; N774-I776 HydrophobicContact CB-CG1 4.23Å; N774-N801 PolarHBondContact N-O 3.16Å; N774-N802 VanDerWaalsContact C-OD1 3.3Å; N774-N802 WeakPolarHBondContact CA-OD1 3.49Å; N774-N802 WeakPolarHBondContact CB-OD1 3.29Å; N774-N802 WeakPolarHBondContact O-CA 3.33Å; N774-N802 PolarHBondContact O-OD1 2.83Å
775	N	97.2	Very high	97.5	Very high	93 Å²	93	33.1 Å²	33.1	50%	0.497	17%	0.167	S	C	.	.	B	Isolated β-bridge	trans	-114.8	35.7	-177.2	-63.9	76.8	0	0	0	112.2	I748 S749 G777	I748-N775 CarbonylContact O-C 3.31Å; I748-N775 VanDerWaalsContact O-CA 3.28Å; I748-N775 WeakPolarHBondContact O-CA 3.28Å; I748-N775 PolarHBondContact O-N 2.78Å; S749-N775 WeakPolarHBondContact CA-O 3.47Å; N775-G777 PolarHBondContact O-N 2.62Å
776	I	97.8	Very high	97.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.182	C	C	.	.			trans	-60.6	-44.4	-172.4	-69.3	178.5	0	0	0	112.3	I748 N750 A753 L771 N774 G780 L784 F799 N802	I748-I776 HydrophobicContact CG2-CG1 4.48Å; I748-I776 PolarHBondContact O-N 3.35Å; N750-I776 WeakPolarHBondContact CB-O 3.5Å; A753-I776 HydrophobicContact CB-CG1 4.38Å; A753-I776 HydrophobicContact CB-CG2 3.98Å; L771-I776 HydrophobicContact CB-CD1 3.72Å; L771-I776 HydrophobicContact CD1-CD1 3.75Å; L771-I776 HydrophobicContact CD2-CD1 4.21Å; L771-I776 HydrophobicContact CG-CD1 4.11Å; N774-I776 HydrophobicContact CB-CG1 4.23Å; I776-G780 VanDerWaalsContact CG2-C 3.5Å; I776-G780 WeakPolarHBondContact O-CA 3.33Å; I776-G780 PolarHBondContact O-N 2.73Å; I776-L784 HydrophobicContact CD1-CD1 4.36Å; I776-L784 HydrophobicContact CG2-CD1 4.48Å; I776-F799 HydrophobicContact CD1-CD1 4.21Å; I776-F799 HydrophobicContact CD1-CE1 4.19Å; I776-N802 HydrophobicContact CB-CB 4.25Å; I776-N802 VanDerWaalsContact CB-OD1 3.32Å; I776-N802 WeakPolarHBondContact CB-OD1 3.16Å; I776-N802 VanDerWaalsContact CD1-OD1 3.32Å; I776-N802 WeakPolarHBondContact CD1-OD1 3.18Å; I776-N802 WeakPolarHBondContact CG1-OD1 3.48Å; I776-N802 PolarHBondContact N-OD1 3.29Å
777	G	97.8	Very high	97.8	Very high	16 Å²	16	36.6 Å²	36.6	17%	0.165	18%	0.182	C	C	.	.	H	α-helix	trans	61.5	176.1	-177.6	0	0	0	0	0	114.8	N775 K779 G780 A781 N802 L803	N775-G777 PolarHBondContact O-N 2.62Å; G777-K779 VanDerWaalsContact C-N 3.28Å; G777-K779 PolarHBondContact O-N 2.81Å; G777-G780 PolarHBondContact O-N 2.9Å; G777-G780 VanDerWaalsContact O-N 3.16Å; G777-A781 PolarHBondContact O-N 2.91Å; G777-N802 WeakPolarHBondContact CA-O 3.41Å; G777-N802 PolarHBondContact N-O 3.42Å; G777-L803 WeakPolarHBondContact CA-O 3.39Å
778	S	98	Very high	97.8	Very high	21 Å²	21	33.9 Å²	33.9	15%	0.147	17%	0.169	C	C	.	.	H	α-helix	trans	-57.7	-36.2	-179.2	-59.3	0	0	0	0	114	K782 E805	S778-K782 PolarHBondContact O-N 2.94Å; S778-E805 WeakPolarHBondContact OG-CB 3.42Å; S778-E805 PolarHBondContact OG-N 3.48Å
779	K	97.9	Very high	97.6	Very high	152 Å²	152	33.9 Å²	33.9	66%	0.661	17%	0.165	S	C	*	.	H	α-helix	trans	-67.2	-42.8	177.5	-70.3	-178.9	-178.9	175	0	112.1	N750 G777 K782 F783	N750-K779 HydrophobicContact CB-CB 4.03Å; G777-K779 VanDerWaalsContact C-N 3.28Å; G777-K779 PolarHBondContact O-N 2.81Å; K779-K782 PolarHBondContact O-N 3.05Å; K779-F783 VanDerWaalsContact O-CD2 3.27Å; K779-F783 WeakPolarHBondContact O-CD2 3.32Å; K779-F783 PolarHBondContact O-N 3.39Å
780	G	97.8	Very high	97.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.3	-42.1	177	0	0	0	0	0	111.9	I776 G777 K782 F783 L784	I776-G780 VanDerWaalsContact CG2-C 3.5Å; I776-G780 WeakPolarHBondContact O-CA 3.33Å; I776-G780 PolarHBondContact O-N 2.73Å; G777-G780 PolarHBondContact O-N 2.9Å; G777-G780 VanDerWaalsContact O-N 3.16Å; G780-K782 VanDerWaalsContact C-N 3.26Å; G780-K782 PolarHBondContact O-N 3.18Å; G780-F783 PolarHBondContact O-N 3.08Å; G780-F783 VanDerWaalsContact O-N 3.13Å; G780-L784 PolarHBondContact O-N 3.43Å; G780-L784 VanDerWaalsContact O-N 3.09Å
781	A	98.1	Very high	96.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.2	-39.4	174.2	0	0	0	0	0	111.7	G777 L784 A785 I804	G777-A781 PolarHBondContact O-N 2.91Å; A781-L784 PolarHBondContact O-N 3.23Å; A781-A785 VanDerWaalsContact O-CB 3.26Å; A781-A785 WeakPolarHBondContact O-CB 3.38Å; A781-A785 PolarHBondContact O-N 3.06Å; A781-I804 HydrophobicContact CB-CD1 3.92Å; A781-I804 HydrophobicContact CB-CG1 4.21Å; A781-I804 HydrophobicContact CB-CG2 4.31Å
782	K	98.2	Very high	96.5	Very high	103 Å²	103	42.9 Å²	42.9	45%	0.448	21%	0.208	S	C	.	.	H	α-helix	trans	-62.2	-43.2	174.4	-173.6	-179.8	179.4	-177.6	0	112.8	S778 K779 G780 A785 E786 A811	S778-K782 PolarHBondContact O-N 2.94Å; K779-K782 PolarHBondContact O-N 3.05Å; G780-K782 VanDerWaalsContact C-N 3.26Å; G780-K782 PolarHBondContact O-N 3.18Å; K782-A785 WeakPolarHBondContact O-CB 3.33Å; K782-A785 PolarHBondContact O-N 3.41Å; K782-E786 PolarHBondContact O-N 2.89Å; K782-E786 VanDerWaalsContact O-N 3.1Å; K782-A811 HydrophobicContact CB-CB 4.12Å; K782-A811 HydrophobicContact CG-CB 4.17Å
783	F	98.3	Very high	96.2	Very high	76 Å²	76	41.9 Å²	41.9	33%	0.333	21%	0.208	S	C	.	.	H	α-helix	trans	-62	-46.1	176.8	-69.7	-53.3	0	0	0	111.8	K754 S757 K779 G780 A785 E786 A787	K754-F783 HydrophobicContact CB-CB 4.39Å; K754-F783 HydrophobicContact CB-CD2 3.65Å; K754-F783 HydrophobicContact CB-CE2 3.99Å; K754-F783 HydrophobicContact CB-CG 3.96Å; K754-F783 HydrophobicContact CD-CD1 4.47Å; K754-F783 HydrophobicContact CD-CD2 4.43Å; K754-F783 HydrophobicContact CD-CE1 4.11Å; K754-F783 HydrophobicContact CD-CE2 4.06Å; K754-F783 HydrophobicContact CD-CZ 3.9Å; K754-F783 HydrophobicContact CG-CD1 4.08Å; K754-F783 HydrophobicContact CG-CD2 4.05Å; K754-F783 HydrophobicContact CG-CE1 4.23Å; K754-F783 HydrophobicContact CG-CE2 4.19Å; K754-F783 HydrophobicContact CG-CG 4.01Å; K754-F783 HydrophobicContact CG-CZ 4.29Å; S757-F783 VanDerWaalsContact CB-O 3.26Å; S757-F783 WeakPolarHBondContact CB-O 3.48Å; K779-F783 VanDerWaalsContact O-CD2 3.27Å; K779-F783 WeakPolarHBondContact O-CD2 3.32Å; K779-F783 PolarHBondContact O-N 3.39Å; G780-F783 PolarHBondContact O-N 3.08Å; G780-F783 VanDerWaalsContact O-N 3.13Å; F783-A785 VanDerWaalsContact C-N 3.33Å; F783-A785 PolarHBondContact O-N 3.24Å; F783-E786 PolarHBondContact O-N 3.2Å; F783-A787 PolarHBondContact O-N 3.37Å
784	L	98.1	Very high	96.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.8	-40	177	-69.5	166.9	0	0	0	111.3	A753 L756 L760 L771 I776 G780 A781 E786 A787 L788 F799	A753-L784 HydrophobicContact CB-CD1 3.94Å; A753-L784 HydrophobicContact CB-CG 4.21Å; L756-L784 HydrophobicContact CB-CD2 4.15Å; L760-L784 HydrophobicContact CD1-CD2 3.8Å; L771-L784 HydrophobicContact CD1-CD1 3.74Å; I776-L784 HydrophobicContact CD1-CD1 4.36Å; I776-L784 HydrophobicContact CG2-CD1 4.48Å; G780-L784 PolarHBondContact O-N 3.43Å; G780-L784 VanDerWaalsContact O-N 3.09Å; A781-L784 PolarHBondContact O-N 3.23Å; L784-E786 PolarHBondContact O-N 2.97Å; L784-A787 PolarHBondContact O-N 3.09Å; L784-A787 VanDerWaalsContact O-N 3.14Å; L784-L788 VanDerWaalsContact O-CG 3.23Å; L784-L788 WeakPolarHBondContact O-CG 3.43Å; L784-L788 PolarHBondContact O-N 2.94Å; L784-F799 HydrophobicContact CB-CZ 4.11Å; L784-F799 HydrophobicContact CD1-CE1 3.48Å; L784-F799 VanDerWaalsContact CD1-CE1 3.48Å; L784-F799 HydrophobicContact CD1-CZ 3.75Å
785	A	97.4	Very high	96	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.3	-44.7	175.8	0	0	0	0	0	112.7	A781 K782 F783 A787 L788 K789 A811 V815	A781-A785 VanDerWaalsContact O-CB 3.26Å; A781-A785 WeakPolarHBondContact O-CB 3.38Å; A781-A785 PolarHBondContact O-N 3.06Å; K782-A785 WeakPolarHBondContact O-CB 3.33Å; K782-A785 PolarHBondContact O-N 3.41Å; F783-A785 VanDerWaalsContact C-N 3.33Å; F783-A785 PolarHBondContact O-N 3.24Å; A785-A787 VanDerWaalsContact C-N 3.29Å; A785-A787 PolarHBondContact O-N 3.36Å; A785-L788 PolarHBondContact O-N 3.48Å; A785-K789 WeakPolarHBondContact O-CG 3.47Å; A785-K789 PolarHBondContact O-N 3.38Å; A785-A811 HydrophobicContact CB-CB 3.84Å; A785-V815 HydrophobicContact CB-CG2 3.55Å; A785-V815 WeakPolarHBondContact O-CG2 3.38Å
786	E	96	Very high	96.1	Very high	86 Å²	86	39.7 Å²	39.7	40%	0.402	20%	0.197	S	C	.	.	H	α-helix	trans	-60.2	-38.7	176.4	-68.8	-55.1	145.2	0	0	112.5	K782 F783 L784 K789	K782-E786 PolarHBondContact O-N 2.89Å; K782-E786 VanDerWaalsContact O-N 3.1Å; F783-E786 PolarHBondContact O-N 3.2Å; L784-E786 PolarHBondContact O-N 2.97Å; E786-K789 IonicContact OE1-NZ 3.03Å; E786-K789 PolarHBondContact OE1-NZ 3.41Å; E786-K789 IonicContact OE2-NZ 3.75Å; E786-K789 PolarHBondContact OE2-NZ 3.33Å
787	A	96.1	Very high	96.1	Very high	2 Å²	2	39.6 Å²	39.6	2%	0.017	20%	0.197	C	C	.	.	H	α-helix	trans	-68.9	-41.4	174.9	0	0	0	0	0	112.2	S757 L760 L761 F783 L784 A785 K789 M790 N791	S757-A787 WeakPolarHBondContact O-CB 3.33Å; L760-A787 HydrophobicContact CB-CB 3.94Å; L761-A787 HydrophobicContact CD2-CB 4.17Å; L761-A787 HydrophobicContact CG-CB 4.16Å; F783-A787 PolarHBondContact O-N 3.37Å; L784-A787 PolarHBondContact O-N 3.09Å; L784-A787 VanDerWaalsContact O-N 3.14Å; A785-A787 VanDerWaalsContact C-N 3.29Å; A785-A787 PolarHBondContact O-N 3.36Å; A787-K789 VanDerWaalsContact C-N 3.28Å; A787-K789 PolarHBondContact O-N 3.38Å; A787-M790 PolarHBondContact O-N 3.07Å; A787-M790 VanDerWaalsContact O-N 3.11Å; A787-N791 WeakPolarHBondContact O-CB 3.42Å; A787-N791 PolarHBondContact O-N 2.86Å
788	L	96	Very high	96.1	Very high	3 Å²	3	40 Å²	40	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-65.6	-27.9	179.4	-67.8	171.7	0	0	0	113.1	L784 A785 M790 L794 I797 V815 N819	L784-L788 VanDerWaalsContact O-CG 3.23Å; L784-L788 WeakPolarHBondContact O-CG 3.43Å; L784-L788 PolarHBondContact O-N 2.94Å; A785-L788 PolarHBondContact O-N 3.48Å; L788-M790 PolarHBondContact O-N 3.5Å; L788-L794 HydrophobicContact CD2-CB 4.32Å; L788-L794 HydrophobicContact CD2-CD2 3.39Å; L788-L794 HydrophobicContact CD2-CG 4.47Å; L788-I797 HydrophobicContact CD1-CD1 3.94Å; L788-V815 HydrophobicContact CB-CG1 3.7Å; L788-V815 HydrophobicContact CB-CG2 4.02Å; L788-N819 PolarHBondContact O-ND2 2.86Å
789	K	94.6	Very high	96.2	Very high	41 Å²	41	39 Å²	39	18%	0.178	19%	0.188	C	C	.	.	H	α-helix	trans	-58.4	-35.1	172.8	-71.6	172	-176.2	172.9	0	111.8	A785 E786 A787 E814 V815	A785-K789 WeakPolarHBondContact O-CG 3.47Å; A785-K789 PolarHBondContact O-N 3.38Å; E786-K789 IonicContact OE1-NZ 3.03Å; E786-K789 PolarHBondContact OE1-NZ 3.41Å; E786-K789 IonicContact OE2-NZ 3.75Å; E786-K789 PolarHBondContact OE2-NZ 3.33Å; A787-K789 VanDerWaalsContact C-N 3.28Å; A787-K789 PolarHBondContact O-N 3.38Å; K789-E814 IonicContact NZ-OE2 3.84Å; K789-E814 PolarHBondContact NZ-OE2 2.97Å; K789-V815 HydrophobicContact CG-CG2 4.33Å
790	M	91.5	Very high	96.2	Very high	129 Å²	129	33.5 Å²	33.5	64%	0.635	17%	0.165	S	C	*	.	H	α-helix	trans	-96.2	-27.4	-177.5	-58.1	-56.7	-68.9	0	0	113	L761 A787 L788 Q792	L761-M790 HydrophobicContact CD2-CB 4.12Å; L761-M790 HydrophobicContact CD2-CG 4.27Å; A787-M790 PolarHBondContact O-N 3.07Å; A787-M790 VanDerWaalsContact O-N 3.11Å; L788-M790 PolarHBondContact O-N 3.5Å; M790-Q792 PolarHBondContact O-N 3.38Å; M790-Q792 PolarHBondContact O-NE2 2.87Å
791	N	91.8	Very high	96.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.			trans	-70.4	124.8	-177.5	-172.9	-70.8	0	0	0	111.4	L760 A787 V793 L794 N819	L760-N791 PolarHBondContact O-ND2 2.9Å; A787-N791 WeakPolarHBondContact O-CB 3.42Å; A787-N791 PolarHBondContact O-N 2.86Å; N791-V793 PolarHBondContact OD1-N 3.25Å; N791-L794 PolarHBondContact OD1-N 3.06Å; N791-N819 PolarHBondContact O-ND2 3.25Å
792	Q	88.6	Confident	96.2	Very high	85 Å²	85	36.8 Å²	36.8	40%	0.397	18%	0.183	S	C	.	.	S	Bend	trans	-108.3	17.9	-178.6	-58.4	-56	-37	0	0	113.8	M790 K821	M790-Q792 PolarHBondContact O-N 3.38Å; M790-Q792 PolarHBondContact O-NE2 2.87Å; Q792-K821 HydrophobicContact CB-CG 4.39Å; Q792-K821 WeakPolarHBondContact O-CE 3.48Å; Q792-K821 WeakPolarHBondContact O-CG 3.41Å
793	V	92.6	Very high	96.2	Very high	32 Å²	32	36.3 Å²	36.3	19%	0.194	19%	0.185	C	C	.	.	S	Bend	trans	-122.7	-39.3	-174.5	-176.7	0	0	0	0	112.3	I767 N791 V795	I767-V793 HydrophobicContact CG1-CG1 4.38Å; N791-V793 PolarHBondContact OD1-N 3.25Å; V793-V795 WeakPolarHBondContact O-CG2 3.48Å; V793-V795 PolarHBondContact O-N 2.97Å
794	L	95.8	Very high	96.2	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.169	C	C	.	.			trans	-67.7	122	-176.3	-161.1	80.6	0	0	0	111	L766 I767 L769 L788 N791 I797	L766-L794 HydrophobicContact CB-CD1 4.49Å; L766-L794 HydrophobicContact CD2-CD1 4.14Å; L766-L794 HydrophobicContact CG-CD1 4.03Å; L766-L794 WeakPolarHBondContact O-CD1 3.17Å; I767-L794 WeakPolarHBondContact O-CD1 3.5Å; L769-L794 HydrophobicContact CB-CD1 3.97Å; L769-L794 HydrophobicContact CB-CD2 4.29Å; L788-L794 HydrophobicContact CD2-CB 4.32Å; L788-L794 HydrophobicContact CD2-CD2 3.39Å; L788-L794 HydrophobicContact CD2-CG 4.47Å; N791-L794 PolarHBondContact OD1-N 3.06Å; L794-I797 HydrophobicContact CD2-CB 4.07Å; L794-I797 HydrophobicContact CD2-CD1 4.09Å; L794-I797 HydrophobicContact CD2-CG1 4.41Å
795	V	97.5	Very high	96.1	Very high	54 Å²	54	38.1 Å²	38.1	33%	0.327	19%	0.194	S	C	.	.			trans	-102	-32.1	-176.5	175.1	0	0	0	0	111.6	I767 V793 V823 S824	I767-V795 HydrophobicContact CG2-CB 3.84Å; I767-V795 HydrophobicContact CG2-CG2 3.85Å; I767-V795 PolarHBondContact O-N 2.89Å; V793-V795 WeakPolarHBondContact O-CG2 3.48Å; V793-V795 PolarHBondContact O-N 2.97Å; V795-V823 HydrophobicContact CG1-CB 3.71Å; V795-V823 HydrophobicContact CG1-CG2 3.77Å; V795-V823 PolarHBondContact O-N 3.33Å; V795-S824 PolarHBondContact O-N 2.91Å
796	S	98.1	Very high	96	Very high	31 Å²	31	40.8 Å²	40.8	22%	0.217	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	133.5	-176.8	178.4	0	0	0	0	111.7	I767 T768 L769	I767-S796 PolarHBondContact O-N 2.58Å; I767-S796 VanDerWaalsContact O-N 3.16Å; T768-S796 WeakPolarHBondContact CA-O 3.49Å; L769-S796 PolarHBondContact N-O 2.83Å; L769-S796 VanDerWaalsContact N-O 3.1Å
797	I	98.2	Very high	96	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	134.4	173.2	-164.3	164.5	0	0	0	111.5	L769 L788 L794 F799 L822 S824 L825 N826	L769-I797 HydrophobicContact CB-CG1 4.38Å; L769-I797 HydrophobicContact CD2-CD1 4.14Å; L769-I797 WeakPolarHBondContact O-CA 3.42Å; L788-I797 HydrophobicContact CD1-CD1 3.94Å; L794-I797 HydrophobicContact CD2-CB 4.07Å; L794-I797 HydrophobicContact CD2-CD1 4.09Å; L794-I797 HydrophobicContact CD2-CG1 4.41Å; I797-F799 HydrophobicContact CB-CE2 4.45Å; I797-F799 HydrophobicContact CD1-CD2 4.34Å; I797-F799 HydrophobicContact CD1-CE1 4.24Å; I797-F799 HydrophobicContact CD1-CE2 3.43Å; I797-F799 VanDerWaalsContact CD1-CE2 3.43Å; I797-F799 HydrophobicContact CD1-CZ 3.36Å; I797-F799 HydrophobicContact CG1-CD2 4.16Å; I797-F799 HydrophobicContact CG1-CE2 3.73Å; I797-F799 HydrophobicContact CG1-CZ 4Å; I797-F799 HydrophobicContact CG2-CD2 4.16Å; I797-F799 HydrophobicContact CG2-CE2 3.88Å; I797-L822 HydrophobicContact CG2-CD1 4.04Å; I797-L822 HydrophobicContact CG2-CD2 4.45Å; I797-S824 PolarHBondContact N-O 3.05Å; I797-L825 HydrophobicContact CG2-CD1 3.62Å; I797-N826 PolarHBondContact O-N 2.64Å; I797-N826 VanDerWaalsContact O-N 3.13Å
798	N	98.6	Very high	96.1	Very high	23 Å²	23	41.9 Å²	41.9	12%	0.123	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	113.5	178.8	-174	4.1	0	0	0	111.7	L769 D770 L771 Q800 N826	L769-N798 PolarHBondContact O-N 3.34Å; D770-N798 HydrophobicContact CB-CB 4.38Å; D770-N798 WeakPolarHBondContact OD1-CB 3.32Å; D770-N798 PolarHBondContact OD1-ND2 2.82Å; D770-N798 VanDerWaalsContact OD1-ND2 3.1Å; L771-N798 CarbonylContact C-O 3.53Å; L771-N798 WeakPolarHBondContact CA-O 3.32Å; L771-N798 WeakPolarHBondContact CB-O 3.32Å; L771-N798 PolarHBondContact N-O 3.48Å; N798-Q800 WeakPolarHBondContact OD1-CB 3.12Å; N798-Q800 PolarHBondContact OD1-N 2.94Å; N798-N826 HydrophobicContact CB-CB 4.33Å; N798-N826 WeakPolarHBondContact OD1-CB 3.21Å; N798-N826 VanDerWaalsContact OD1-CG 3.3Å; N798-N826 PolarHBondContact OD1-ND2 3.37Å
799	F	98.4	Very high	96.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.			trans	-108.5	19.8	176.3	-73.7	-66.3	0	0	0	112.9	L771 I776 L784 I797 N801 N802 I804 L812 L825 N826 V827 N830	L771-F799 HydrophobicContact CD1-CD1 4.47Å; L771-F799 HydrophobicContact CD1-CE1 3.95Å; I776-F799 HydrophobicContact CD1-CD1 4.21Å; I776-F799 HydrophobicContact CD1-CE1 4.19Å; L784-F799 HydrophobicContact CB-CZ 4.11Å; L784-F799 HydrophobicContact CD1-CE1 3.48Å; L784-F799 VanDerWaalsContact CD1-CE1 3.48Å; L784-F799 HydrophobicContact CD1-CZ 3.75Å; I797-F799 HydrophobicContact CB-CE2 4.45Å; I797-F799 HydrophobicContact CD1-CD2 4.34Å; I797-F799 HydrophobicContact CD1-CE1 4.24Å; I797-F799 HydrophobicContact CD1-CE2 3.43Å; I797-F799 VanDerWaalsContact CD1-CE2 3.43Å; I797-F799 HydrophobicContact CD1-CZ 3.36Å; I797-F799 HydrophobicContact CG1-CD2 4.16Å; I797-F799 HydrophobicContact CG1-CE2 3.73Å; I797-F799 HydrophobicContact CG1-CZ 4Å; I797-F799 HydrophobicContact CG2-CD2 4.16Å; I797-F799 HydrophobicContact CG2-CE2 3.88Å; F799-N801 PolarHBondContact O-N 3.1Å; F799-N802 WeakPolarHBondContact O-CB 3.47Å; F799-N802 PolarHBondContact O-ND2 3.38Å; F799-I804 HydrophobicContact CB-CD1 3.65Å; F799-I804 HydrophobicContact CD1-CD1 3.87Å; F799-I804 HydrophobicContact CG-CD1 3.82Å; F799-L812 HydrophobicContact CD2-CD1 4.3Å; F799-L812 HydrophobicContact CD2-CD2 4.37Å; F799-L812 HydrophobicContact CE2-CD1 4.48Å; F799-L812 HydrophobicContact CE2-CD2 3.77Å; F799-L812 HydrophobicContact CZ-CD2 4.46Å; F799-L825 HydrophobicContact CD2-CD1 4.14Å; F799-N826 WeakPolarHBondContact CA-O 3.37Å; F799-N826 WeakPolarHBondContact CB-O 3.38Å; F799-N826 PolarHBondContact N-O 2.74Å; F799-V827 HydrophobicContact CB-CG1 4.13Å; F799-V827 HydrophobicContact CD2-CG1 4.44Å; F799-N830 PolarHBondContact O-ND2 3.45Å
800	Q	98.4	Very high	96.3	Very high	38 Å²	38	43.1 Å²	43.1	18%	0.178	22%	0.215	C	C	.	.			trans	-54.1	136.8	-178.3	170.8	178.9	-32.3	0	0	111.3	R772 S773 N798 N802 Q828	R772-Q800 CarbonylContact C-O 3.47Å; R772-Q800 WeakPolarHBondContact CA-O 3.2Å; R772-Q800 HydrophobicContact CB-CB 3.9Å; R772-Q800 HydrophobicContact CB-CG 4.48Å; S773-Q800 PolarHBondContact N-O 3.04Å; N798-Q800 WeakPolarHBondContact OD1-CB 3.12Å; N798-Q800 PolarHBondContact OD1-N 2.94Å; Q800-N802 PolarHBondContact O-ND2 3.45Å; Q800-Q828 CarbonylContact C-O 3.48Å; Q800-Q828 WeakPolarHBondContact CA-O 3.31Å; Q800-Q828 HydrophobicContact CB-CB 4.24Å; Q800-Q828 HydrophobicContact CG-CB 4.01Å; Q800-Q828 HydrophobicContact CG-CG 4.1Å
801	N	98.3	Very high	96.6	Very high	68 Å²	68	37 Å²	37	36%	0.364	19%	0.185	S	C	.	.	S	Bend	trans	54.6	61.1	174.2	-169.9	37.7	0	0	0	113.5	S773 N774 F799 Q828 K829	S773-N801 VanDerWaalsContact CA-O 3.22Å; S773-N801 WeakPolarHBondContact CA-O 3.39Å; S773-N801 PolarHBondContact N-O 3Å; S773-N801 PolarHBondContact OG-ND2 3.17Å; N774-N801 PolarHBondContact N-O 3.16Å; F799-N801 PolarHBondContact O-N 3.1Å; N801-Q828 PolarHBondContact N-O 3.3Å; N801-K829 VanDerWaalsContact CA-O 3.24Å; N801-K829 WeakPolarHBondContact CA-O 3.37Å; N801-K829 HydrophobicContact CB-CB 4.11Å
802	N	98.3	Very high	96.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-130	12.4	-175.8	-92.4	-79.9	0	0	0	114.8	L771 N774 I776 G777 F799 Q800 I804 N830	L771-N802 PolarHBondContact O-ND2 2.92Å; N774-N802 VanDerWaalsContact C-OD1 3.3Å; N774-N802 WeakPolarHBondContact CA-OD1 3.49Å; N774-N802 WeakPolarHBondContact CB-OD1 3.29Å; N774-N802 WeakPolarHBondContact O-CA 3.33Å; N774-N802 PolarHBondContact O-OD1 2.83Å; I776-N802 HydrophobicContact CB-CB 4.25Å; I776-N802 VanDerWaalsContact CB-OD1 3.32Å; I776-N802 WeakPolarHBondContact CB-OD1 3.16Å; I776-N802 VanDerWaalsContact CD1-OD1 3.32Å; I776-N802 WeakPolarHBondContact CD1-OD1 3.18Å; I776-N802 WeakPolarHBondContact CG1-OD1 3.48Å; I776-N802 PolarHBondContact N-OD1 3.29Å; G777-N802 WeakPolarHBondContact CA-O 3.41Å; G777-N802 PolarHBondContact N-O 3.42Å; F799-N802 WeakPolarHBondContact O-CB 3.47Å; F799-N802 PolarHBondContact O-ND2 3.38Å; Q800-N802 PolarHBondContact O-ND2 3.45Å; N802-I804 HydrophobicContact CB-CD1 4.17Å; N802-I804 HydrophobicContact CB-CG1 3.99Å; N802-I804 PolarHBondContact O-N 3.33Å; N802-N830 WeakPolarHBondContact CA-OD1 3.46Å; N802-N830 PolarHBondContact N-OD1 3.08Å
803	L	97.9	Very high	97.4	Very high	94 Å²	94	33.4 Å²	33.4	49%	0.492	17%	0.169	S	C	.	.			trans	56.5	36.7	-179	-51.2	173.4	0	0	0	112.8	G777 N830	G777-L803 WeakPolarHBondContact CA-O 3.39Å; L803-N830 PolarHBondContact N-OD1 3.22Å; L803-N830 VanDerWaalsContact N-OD1 3.08Å
804	I	97.8	Very high	97.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.			trans	-80.3	124.3	176.7	-59.1	178.9	0	0	0	109.2	A781 F799 N802 N830 C831 I832	A781-I804 HydrophobicContact CB-CD1 3.92Å; A781-I804 HydrophobicContact CB-CG1 4.21Å; A781-I804 HydrophobicContact CB-CG2 4.31Å; F799-I804 HydrophobicContact CB-CD1 3.65Å; F799-I804 HydrophobicContact CD1-CD1 3.87Å; F799-I804 HydrophobicContact CG-CD1 3.82Å; N802-I804 HydrophobicContact CB-CD1 4.17Å; N802-I804 HydrophobicContact CB-CG1 3.99Å; N802-I804 PolarHBondContact O-N 3.33Å; I804-N830 HydrophobicContact CB-CB 4.15Å; I804-N830 WeakPolarHBondContact CB-OD1 3.36Å; I804-N830 PolarHBondContact N-OD1 2.92Å; I804-N830 WeakPolarHBondContact O-CB 3.06Å; I804-C831 CarbonylContact O-C 3.56Å; I804-C831 WeakPolarHBondContact O-CA 3.44Å; I804-C831 PolarHBondContact O-N 3.42Å; I804-I832 PolarHBondContact O-N 3.04Å
805	E	96.6	Very high	97.6	Very high	114 Å²	114	34.9 Å²	34.9	53%	0.533	17%	0.174	S	C	.	.			trans	-106	-167.3	177.9	-57.9	168.9	-167.6	0	0	110.8	S778 E807 G808 A809 C831	S778-E805 WeakPolarHBondContact OG-CB 3.42Å; S778-E805 PolarHBondContact OG-N 3.48Å; E805-E807 VanDerWaalsContact C-N 3.33Å; E805-E807 PolarHBondContact O-N 2.79Å; E805-G808 PolarHBondContact O-N 3.34Å; E805-A809 PolarHBondContact O-N 3.02Å; E805-C831 HydrophobicContact CG-CB 3.89Å
806	E	95.6	Very high	97.6	Very high	55 Å²	55	32.4 Å²	32.4	26%	0.257	16%	0.158	S	C	.	.	H	α-helix	trans	-56.1	-39.8	-174.7	-56.2	-68.7	-138.1	0	0	114.1	G808 A809 R810 G833 A834 D835 G836	E806-G808 VanDerWaalsContact C-N 3.34Å; E806-G808 PolarHBondContact O-N 2.85Å; E806-A809 PolarHBondContact O-N 3.43Å; E806-R810 WeakPolarHBondContact O-CB 3.39Å; E806-R810 PolarHBondContact O-N 3.46Å; E806-G833 VanDerWaalsContact CD-CA 3.49Å; E806-G833 WeakPolarHBondContact OE1-CA 3.48Å; E806-G833 PolarHBondContact OE1-N 3.33Å; E806-G833 PolarHBondContact OE2-N 3.02Å; E806-A834 PolarHBondContact OE1-N 3.45Å; E806-D835 PolarHBondContact OE1-N 2.83Å; E806-D835 VanDerWaalsContact OE1-N 3.08Å; E806-G836 PolarHBondContact OE1-N 3.27Å; E806-G836 WeakPolarHBondContact OE2-CA 3.28Å; E806-G836 PolarHBondContact OE2-N 2.87Å
807	E	96.2	Very high	97.4	Very high	112 Å²	112	35 Å²	35	52%	0.523	17%	0.17	S	C	.	.	H	α-helix	trans	-66.7	-35.1	178.4	-74.4	-57.6	131.9	0	0	112.9	E805 R810 A811	E805-E807 VanDerWaalsContact C-N 3.33Å; E805-E807 PolarHBondContact O-N 2.79Å; E807-R810 IonicContact OE1-NE 3.21Å; E807-R810 IonicContact OE2-CZ 3.99Å; E807-R810 VanDerWaalsContact OE2-CZ 3.31Å; E807-R810 IonicContact OE2-NE 3.27Å; E807-R810 PolarHBondContact OE2-NE 3.49Å; E807-R810 IonicContact OE2-NH2 2.98Å; E807-R810 PolarHBondContact OE2-NH2 3.22Å; E807-A811 PolarHBondContact O-N 3.15Å
808	G	97.2	Very high	97.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-71.4	-41.1	174.7	0	0	0	0	0	111.5	E805 E806 R810 A811 L812	E805-G808 PolarHBondContact O-N 3.34Å; E806-G808 VanDerWaalsContact C-N 3.34Å; E806-G808 PolarHBondContact O-N 2.85Å; G808-R810 VanDerWaalsContact C-N 3.31Å; G808-R810 PolarHBondContact O-N 3.38Å; G808-A811 PolarHBondContact O-N 3.49Å; G808-L812 WeakPolarHBondContact O-CG 3.32Å; G808-L812 PolarHBondContact O-N 3.21Å
809	A	97.8	Very high	96.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-39.5	173.7	0	0	0	0	0	112.3	E805 E806 L812 A813 I832 I840	E805-A809 PolarHBondContact O-N 3.02Å; E806-A809 PolarHBondContact O-N 3.43Å; A809-L812 PolarHBondContact O-N 3.29Å; A809-A813 WeakPolarHBondContact O-CB 3.48Å; A809-A813 PolarHBondContact O-N 2.77Å; A809-I832 HydrophobicContact CB-CD1 4.09Å; A809-I832 HydrophobicContact CB-CG1 4.11Å; A809-I832 HydrophobicContact CB-CG2 3.84Å; A809-I840 HydrophobicContact CB-CD1 4.18Å
810	R	98	Very high	96.5	Very high	70 Å²	70	43 Å²	43	26%	0.264	21%	0.207	S	C	.	.	H	α-helix	trans	-60.1	-45.6	173.2	-176.6	-178.5	63.4	76.4	-3.4	111.8	E806 E807 G808 L812 A813 E814 R839	E806-R810 WeakPolarHBondContact O-CB 3.39Å; E806-R810 PolarHBondContact O-N 3.46Å; E807-R810 IonicContact OE1-NE 3.21Å; E807-R810 IonicContact OE2-CZ 3.99Å; E807-R810 VanDerWaalsContact OE2-CZ 3.31Å; E807-R810 IonicContact OE2-NE 3.27Å; E807-R810 PolarHBondContact OE2-NE 3.49Å; E807-R810 IonicContact OE2-NH2 2.98Å; E807-R810 PolarHBondContact OE2-NH2 3.22Å; G808-R810 VanDerWaalsContact C-N 3.31Å; G808-R810 PolarHBondContact O-N 3.38Å; R810-L812 PolarHBondContact O-N 3.13Å; R810-A813 WeakPolarHBondContact O-CB 3.28Å; R810-A813 PolarHBondContact O-N 3.04Å; R810-E814 IonicContact CZ-OE1 3.07Å; R810-E814 IonicContact NH1-OE1 3.13Å; R810-E814 PolarHBondContact NH1-OE1 3.21Å; R810-E814 PolarHBondContact O-N 3.37Å; R810-E814 VanDerWaalsContact O-N 3.13Å; R810-R839 HydrophobicContact CB-CG 4.32Å; R810-R839 HydrophobicContact CG-CG 4.27Å
811	A	98	Very high	96.4	Very high	1 Å²	1	46 Å²	46	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-40.9	177.8	0	0	0	0	0	112	K782 A785 E807 G808 A813 E814 V815	K782-A811 HydrophobicContact CB-CB 4.12Å; K782-A811 HydrophobicContact CG-CB 4.17Å; A785-A811 HydrophobicContact CB-CB 3.84Å; E807-A811 PolarHBondContact O-N 3.15Å; G808-A811 PolarHBondContact O-N 3.49Å; A811-A813 VanDerWaalsContact C-N 3.34Å; A811-A813 PolarHBondContact O-N 3.4Å; A811-E814 WeakPolarHBondContact O-CB 3.43Å; A811-E814 PolarHBondContact O-N 2.88Å; A811-V815 PolarHBondContact O-N 3.21Å
812	L	97.9	Very high	96.3	Very high	3 Å²	3	43 Å²	43	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-65.8	-35.1	174.9	-66.2	174.8	0	0	0	112.3	F799 G808 A809 R810 E814 V815 L816 V827	F799-L812 HydrophobicContact CD2-CD1 4.3Å; F799-L812 HydrophobicContact CD2-CD2 4.37Å; F799-L812 HydrophobicContact CE2-CD1 4.48Å; F799-L812 HydrophobicContact CE2-CD2 3.77Å; F799-L812 HydrophobicContact CZ-CD2 4.46Å; G808-L812 WeakPolarHBondContact O-CG 3.32Å; G808-L812 PolarHBondContact O-N 3.21Å; A809-L812 PolarHBondContact O-N 3.29Å; R810-L812 PolarHBondContact O-N 3.13Å; L812-E814 VanDerWaalsContact C-N 3.3Å; L812-E814 PolarHBondContact O-N 3.14Å; L812-V815 WeakPolarHBondContact O-CB 3.37Å; L812-V815 PolarHBondContact O-N 3.38Å; L812-V815 VanDerWaalsContact O-N 3.15Å; L812-L816 PolarHBondContact O-N 3.16Å; L812-V827 HydrophobicContact CD1-CG1 3.72Å
813	A	97.8	Very high	96.3	Very high	5 Å²	5	45.5 Å²	45.5	4%	0.041	22%	0.218	C	C	.	.	H	α-helix	trans	-62	-38.4	173	0	0	0	0	0	112.1	A809 R810 A811 V815 L816 L817 R839 I840 A843	A809-A813 WeakPolarHBondContact O-CB 3.48Å; A809-A813 PolarHBondContact O-N 2.77Å; R810-A813 WeakPolarHBondContact O-CB 3.28Å; R810-A813 PolarHBondContact O-N 3.04Å; A811-A813 VanDerWaalsContact C-N 3.34Å; A811-A813 PolarHBondContact O-N 3.4Å; A813-V815 VanDerWaalsContact C-N 3.28Å; A813-V815 PolarHBondContact O-N 2.79Å; A813-L816 PolarHBondContact O-N 2.95Å; A813-L816 VanDerWaalsContact O-N 3.16Å; A813-L817 PolarHBondContact O-N 3.22Å; A813-R839 HydrophobicContact CB-CB 3.89Å; A813-R839 WeakPolarHBondContact CB-O 3.09Å; A813-I840 HydrophobicContact CB-CG1 4.26Å; A813-A843 HydrophobicContact CB-CB 4.18Å; A813-A843 WeakPolarHBondContact O-CB 3.3Å
814	E	97.1	Very high	96.3	Very high	63 Å²	63	41.8 Å²	41.8	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-63.1	-34.2	174.1	-66.2	171.5	-162.9	0	0	112.2	K789 R810 A811 L812 L817 S818	K789-E814 IonicContact NZ-OE2 3.84Å; K789-E814 PolarHBondContact NZ-OE2 2.97Å; R810-E814 IonicContact CZ-OE1 3.07Å; R810-E814 IonicContact NH1-OE1 3.13Å; R810-E814 PolarHBondContact NH1-OE1 3.21Å; R810-E814 PolarHBondContact O-N 3.37Å; R810-E814 VanDerWaalsContact O-N 3.13Å; A811-E814 WeakPolarHBondContact O-CB 3.43Å; A811-E814 PolarHBondContact O-N 2.88Å; L812-E814 VanDerWaalsContact C-N 3.3Å; L812-E814 PolarHBondContact O-N 3.14Å; E814-L817 PolarHBondContact O-N 3.43Å; E814-S818 PolarHBondContact O-N 3.23Å
815	V	96.9	Very high	96.3	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-61.4	-46	172.1	-180	0	0	0	0	110.5	A785 L788 K789 A811 L812 A813 L817 S818 N819	A785-V815 HydrophobicContact CB-CG2 3.55Å; A785-V815 WeakPolarHBondContact O-CG2 3.38Å; L788-V815 HydrophobicContact CB-CG1 3.7Å; L788-V815 HydrophobicContact CB-CG2 4.02Å; K789-V815 HydrophobicContact CG-CG2 4.33Å; A811-V815 PolarHBondContact O-N 3.21Å; L812-V815 WeakPolarHBondContact O-CB 3.37Å; L812-V815 PolarHBondContact O-N 3.38Å; L812-V815 VanDerWaalsContact O-N 3.15Å; A813-V815 VanDerWaalsContact C-N 3.28Å; A813-V815 PolarHBondContact O-N 2.79Å; V815-L817 PolarHBondContact O-N 2.93Å; V815-S818 PolarHBondContact O-N 3.09Å; V815-N819 HydrophobicContact CG1-CB 3.76Å; V815-N819 WeakPolarHBondContact O-CB 3.47Å; V815-N819 PolarHBondContact O-N 2.92Å
816	L	96.1	Very high	96.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-63.8	-25.1	-179.1	-63	178.7	0	0	0	112.9	L812 A813 L822 L825 I840 A843 L844 N847 L850	L812-L816 PolarHBondContact O-N 3.16Å; A813-L816 PolarHBondContact O-N 2.95Å; A813-L816 VanDerWaalsContact O-N 3.16Å; L816-L822 HydrophobicContact CD2-CD2 4.18Å; L816-L825 HydrophobicContact CD1-CD2 4.45Å; L816-I840 HydrophobicContact CD1-CG2 4.15Å; L816-A843 HydrophobicContact CB-CB 3.83Å; L816-L844 HydrophobicContact CD1-CD2 4.34Å; L816-N847 HydrophobicContact CB-CB 4.49Å; L816-N847 WeakPolarHBondContact O-CB 3.5Å; L816-N847 PolarHBondContact O-ND2 3.26Å; L816-L850 HydrophobicContact CD1-CD2 4.31Å; L816-L850 HydrophobicContact CD2-CB 4.5Å; L816-L850 HydrophobicContact CD2-CD1 4.11Å; L816-L850 HydrophobicContact CD2-CD2 4.09Å; L816-L850 HydrophobicContact CD2-CG 4.48Å
817	L	95.4	Very high	96.5	Very high	86 Å²	86	34.6 Å²	34.6	45%	0.45	17%	0.167	S	C	.	.	H	α-helix	trans	-70	-43.5	175.2	-70.4	172.9	0	0	0	112.3	A813 E814 V815 R820 A843 T846	A813-L817 PolarHBondContact O-N 3.22Å; E814-L817 PolarHBondContact O-N 3.43Å; V815-L817 PolarHBondContact O-N 2.93Å; L817-R820 PolarHBondContact O-NH1 3.17Å; L817-R820 PolarHBondContact O-NH2 2.79Å; L817-A843 HydrophobicContact CD2-CB 3.91Å; L817-A843 HydrophobicContact CG-CB 3.85Å; L817-T846 WeakPolarHBondContact CD2-OG1 3.45Å
818	S	93	Very high	96.6	Very high	56 Å²	56	31.1 Å²	31.1	39%	0.392	15%	0.151	S	C	.	.	H	α-helix	trans	-98.7	-39.6	-172.4	65.4	0	0	0	0	114.1	E814 V815	E814-S818 PolarHBondContact O-N 3.23Å; V815-S818 PolarHBondContact O-N 3.09Å
819	N	91.8	Very high	96.6	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.016	17%	0.174	C	C	.	.			trans	-73.2	137.9	-175.4	-172.7	-69.6	0	0	0	111	L788 N791 V815 K821 L822	L788-N819 PolarHBondContact O-ND2 2.86Å; N791-N819 PolarHBondContact O-ND2 3.25Å; V815-N819 HydrophobicContact CG1-CB 3.76Å; V815-N819 WeakPolarHBondContact O-CB 3.47Å; V815-N819 PolarHBondContact O-N 2.92Å; N819-K821 WeakPolarHBondContact OD1-CA 3.29Å; N819-K821 PolarHBondContact OD1-N 3Å; N819-L822 PolarHBondContact OD1-N 2.8Å
820	R	91.7	Very high	96.6	Very high	131 Å²	131	36.8 Å²	36.8	49%	0.494	18%	0.176	S	C	.	.	S	Bend	trans	-119.7	15.8	-178.3	-58.1	-61.8	-176	-128.7	-3.8	113.6	L817 T849	L817-R820 PolarHBondContact O-NH1 3.17Å; L817-R820 PolarHBondContact O-NH2 2.79Å; R820-T849 HydrophobicContact CB-CG2 4.3Å; R820-T849 WeakPolarHBondContact O-CG2 3.18Å
821	K	94.7	Very high	96.6	Very high	103 Å²	103	35.7 Å²	35.7	45%	0.448	18%	0.178	S	C	.	.	S	Bend	trans	-123.3	-28	-174.6	-66.4	-72.7	-169.8	179.6	0	113.1	Q792 N819 V823	Q792-K821 HydrophobicContact CB-CG 4.39Å; Q792-K821 WeakPolarHBondContact O-CE 3.48Å; Q792-K821 WeakPolarHBondContact O-CG 3.41Å; N819-K821 WeakPolarHBondContact OD1-CA 3.29Å; N819-K821 PolarHBondContact OD1-N 3Å; K821-V823 PolarHBondContact O-N 3.25Å
822	L	96.1	Very high	96.5	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.026	18%	0.178	C	C	.	.			trans	-67.5	122.9	178.1	-164.2	72.5	0	0	0	110.3	I797 L816 N819 L825 T849 L850	I797-L822 HydrophobicContact CG2-CD1 4.04Å; I797-L822 HydrophobicContact CG2-CD2 4.45Å; L816-L822 HydrophobicContact CD2-CD2 4.18Å; N819-L822 PolarHBondContact OD1-N 2.8Å; L822-L825 HydrophobicContact CD2-CB 4.39Å; L822-T849 CarbonylContact O-C 3.5Å; L822-T849 PolarHBondContact O-OG1 2.96Å; L822-T849 VanDerWaalsContact O-OG1 3.09Å; L822-L850 HydrophobicContact CD2-CD1 4.47Å; L822-L850 HydrophobicContact CG-CD1 4.36Å; L822-L850 PolarHBondContact O-N 2.81Å
823	V	97.9	Very high	96.5	Very high	51 Å²	51	35.9 Å²	35.9	31%	0.309	18%	0.182	S	C	.	.			trans	-111.1	-36	-177.1	174.5	0	0	0	0	111.5	V795 K821 L850 T851 E852	V795-V823 HydrophobicContact CG1-CB 3.71Å; V795-V823 HydrophobicContact CG1-CG2 3.77Å; V795-V823 PolarHBondContact O-N 3.33Å; K821-V823 PolarHBondContact O-N 3.25Å; V823-L850 WeakPolarHBondContact O-CD1 3.28Å; V823-T851 HydrophobicContact CG1-CG2 4.09Å; V823-T851 WeakPolarHBondContact CG1-OG1 3.28Å; V823-T851 PolarHBondContact O-N 3.38Å; V823-T851 PolarHBondContact O-OG1 2.92Å; V823-E852 PolarHBondContact O-N 2.83Å; V823-E852 VanDerWaalsContact O-N 3.14Å
824	S	98.3	Very high	96.4	Very high	16 Å²	16	37 Å²	37	11%	0.112	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.6	179.1	178.1	0	0	0	0	111.4	V795 I797 E852	V795-S824 PolarHBondContact O-N 2.91Å; I797-S824 PolarHBondContact N-O 3.05Å; S824-E852 WeakPolarHBondContact CB-OE2 3.41Å; S824-E852 PolarHBondContact OG-OE2 3.24Å
825	L	98.4	Very high	96.4	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	115.1	175.4	176.5	60.7	0	0	0	109.8	I797 F799 L816 L822 V827 L850 E852 L853 I854	I797-L825 HydrophobicContact CG2-CD1 3.62Å; F799-L825 HydrophobicContact CD2-CD1 4.14Å; L816-L825 HydrophobicContact CD1-CD2 4.45Å; L822-L825 HydrophobicContact CD2-CB 4.39Å; L825-V827 HydrophobicContact CD1-CG1 4.03Å; L825-V827 HydrophobicContact CG-CG1 4.21Å; L825-L850 HydrophobicContact CB-CD1 3.92Å; L825-E852 PolarHBondContact N-O 2.8Å; L825-E852 VanDerWaalsContact N-O 3.13Å; L825-L853 HydrophobicContact CB-CD1 4.29Å; L825-L853 HydrophobicContact CD2-CD1 4.19Å; L825-L853 HydrophobicContact CG-CD1 4.29Å; L825-I854 PolarHBondContact O-N 2.91Å
826	N	98.6	Very high	96.4	Very high	17 Å²	17	39.1 Å²	39.1	9%	0.091	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.1	174.2	-174.6	-7.4	0	0	0	111	I797 N798 F799 Q828 I854	I797-N826 PolarHBondContact O-N 2.64Å; I797-N826 VanDerWaalsContact O-N 3.13Å; N798-N826 HydrophobicContact CB-CB 4.33Å; N798-N826 WeakPolarHBondContact OD1-CB 3.21Å; N798-N826 VanDerWaalsContact OD1-CG 3.3Å; N798-N826 PolarHBondContact OD1-ND2 3.37Å; F799-N826 WeakPolarHBondContact CA-O 3.37Å; F799-N826 WeakPolarHBondContact CB-O 3.38Å; F799-N826 PolarHBondContact N-O 2.74Å; N826-Q828 WeakPolarHBondContact OD1-CB 3.37Å; N826-Q828 PolarHBondContact OD1-N 3.31Å; N826-I854 HydrophobicContact CB-CB 4.22Å; N826-I854 HydrophobicContact CB-CD1 4.09Å
827	V	98.2	Very high	96.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.204	C	C	.	.			trans	-126.7	29.4	175.7	-69.5	0	0	0	0	111.1	F799 L812 L825 N830 I832 I854 L855 N858	F799-V827 HydrophobicContact CB-CG1 4.13Å; F799-V827 HydrophobicContact CD2-CG1 4.44Å; L812-V827 HydrophobicContact CD1-CG1 3.72Å; L825-V827 HydrophobicContact CD1-CG1 4.03Å; L825-V827 HydrophobicContact CG-CG1 4.21Å; V827-N830 VanDerWaalsContact C-ND2 3.29Å; V827-N830 PolarHBondContact O-ND2 3.29Å; V827-I832 HydrophobicContact CB-CD1 3.86Å; V827-I832 HydrophobicContact CG1-CD1 4.46Å; V827-I832 HydrophobicContact CG2-CD1 3.82Å; V827-I854 CarbonylContact C-O 3.41Å; V827-I854 VanDerWaalsContact CG2-O 3.28Å; V827-I854 WeakPolarHBondContact CG2-O 3.35Å; V827-I854 PolarHBondContact N-O 3.42Å; V827-L855 HydrophobicContact CG2-CD2 3.42Å; V827-L855 VanDerWaalsContact CG2-CD2 3.42Å; V827-L855 HydrophobicContact CG2-CG 4Å; V827-N858 PolarHBondContact O-ND2 2.92Å
828	Q	98	Very high	96.6	Very high	40 Å²	40	39.7 Å²	39.7	19%	0.187	20%	0.203	C	C	.	.			trans	-57.6	150.8	178.5	171.2	170.3	-57.1	0	0	113	Q800 N801 N826 N830 I854 S856	Q800-Q828 CarbonylContact C-O 3.48Å; Q800-Q828 WeakPolarHBondContact CA-O 3.31Å; Q800-Q828 HydrophobicContact CB-CB 4.24Å; Q800-Q828 HydrophobicContact CG-CB 4.01Å; Q800-Q828 HydrophobicContact CG-CG 4.1Å; N801-Q828 PolarHBondContact N-O 3.3Å; N826-Q828 WeakPolarHBondContact OD1-CB 3.37Å; N826-Q828 PolarHBondContact OD1-N 3.31Å; Q828-N830 VanDerWaalsContact C-N 3.32Å; Q828-N830 PolarHBondContact O-N 2.91Å; Q828-N830 PolarHBondContact O-ND2 2.86Å; Q828-N830 VanDerWaalsContact O-ND2 3.14Å; Q828-I854 HydrophobicContact CB-CG2 3.97Å; Q828-I854 PolarHBondContact N-O 2.97Å; Q828-S856 CarbonylContact C-O 3.53Å; Q828-S856 WeakPolarHBondContact CA-O 3.5Å; Q828-S856 WeakPolarHBondContact CG-O 3.46Å
829	K	97.7	Very high	96.9	Very high	110 Å²	110	42.7 Å²	42.7	48%	0.478	21%	0.205	S	C	.	.	S	Bend	trans	56.1	44.2	174.1	-73.2	179.9	178.3	-173.5	0	112.5	N801 S856 S857	N801-K829 VanDerWaalsContact CA-O 3.24Å; N801-K829 WeakPolarHBondContact CA-O 3.37Å; N801-K829 HydrophobicContact CB-CB 4.11Å; K829-S856 PolarHBondContact N-O 2.93Å; K829-S857 WeakPolarHBondContact CA-O 3.36Å; K829-S857 VanDerWaalsContact CG-CB 3.49Å; K829-S857 PolarHBondContact N-O 3.1Å
830	N	98.1	Very high	97.2	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.043	21%	0.205	C	C	.	.	S	Bend	trans	-114.9	-171.5	173.9	-79.1	-68	0	0	0	109.8	F799 N802 L803 I804 V827 Q828 I832 N858	F799-N830 PolarHBondContact O-ND2 3.45Å; N802-N830 WeakPolarHBondContact CA-OD1 3.46Å; N802-N830 PolarHBondContact N-OD1 3.08Å; L803-N830 PolarHBondContact N-OD1 3.22Å; L803-N830 VanDerWaalsContact N-OD1 3.08Å; I804-N830 HydrophobicContact CB-CB 4.15Å; I804-N830 WeakPolarHBondContact CB-OD1 3.36Å; I804-N830 PolarHBondContact N-OD1 2.92Å; I804-N830 WeakPolarHBondContact O-CB 3.06Å; V827-N830 VanDerWaalsContact C-ND2 3.29Å; V827-N830 PolarHBondContact O-ND2 3.29Å; Q828-N830 VanDerWaalsContact C-N 3.32Å; Q828-N830 PolarHBondContact O-N 2.91Å; Q828-N830 PolarHBondContact O-ND2 2.86Å; Q828-N830 VanDerWaalsContact O-ND2 3.14Å; N830-I832 HydrophobicContact CB-CG1 4.21Å; N830-N858 VanDerWaalsContact CA-OD1 3.32Å; N830-N858 WeakPolarHBondContact CA-OD1 3.47Å; N830-N858 VanDerWaalsContact CB-OD1 3.3Å; N830-N858 WeakPolarHBondContact CB-OD1 3.31Å; N830-N858 PolarHBondContact N-OD1 2.86Å; N830-N858 PolarHBondContact O-OD1 3.28Å
831	C	96.7	Very high	97.5	Very high	47 Å²	47	36.4 Å²	36.4	32%	0.318	18%	0.182	S	C	.	.			trans	-109.3	35.9	-179.7	-59.4	0	0	0	0	110.9	I804 E805 G833	I804-C831 CarbonylContact O-C 3.56Å; I804-C831 WeakPolarHBondContact O-CA 3.44Å; I804-C831 PolarHBondContact O-N 3.42Å; E805-C831 HydrophobicContact CG-CB 3.89Å; C831-G833 PolarHBondContact O-N 3.45Å
832	I	97.2	Very high	97.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.			trans	-75.9	124.7	178.7	-56.5	176.9	0	0	0	108.5	I804 A809 V827 N830 L855 N858 Q859 L860	I804-I832 PolarHBondContact O-N 3.04Å; A809-I832 HydrophobicContact CB-CD1 4.09Å; A809-I832 HydrophobicContact CB-CG1 4.11Å; A809-I832 HydrophobicContact CB-CG2 3.84Å; V827-I832 HydrophobicContact CB-CD1 3.86Å; V827-I832 HydrophobicContact CG1-CD1 4.46Å; V827-I832 HydrophobicContact CG2-CD1 3.82Å; N830-I832 HydrophobicContact CB-CG1 4.21Å; I832-L855 HydrophobicContact CD1-CD2 4.2Å; I832-N858 HydrophobicContact CB-CB 4.36Å; I832-N858 WeakPolarHBondContact CB-OD1 3.45Å; I832-N858 PolarHBondContact N-OD1 3.41Å; I832-Q859 CarbonylContact O-C 3.53Å; I832-Q859 WeakPolarHBondContact O-CA 3.4Å; I832-Q859 PolarHBondContact O-N 2.96Å; I832-L860 HydrophobicContact CG2-CD1 4.36Å
833	G	96.4	Very high	97.7	Very high	9 Å²	9	34.9 Å²	34.9	9%	0.093	18%	0.177	C	C	.	.			trans	-100.2	-164.3	179.1	0	0	0	0	0	112.4	E806 C831 D835 A837 Q859	E806-G833 VanDerWaalsContact CD-CA 3.49Å; E806-G833 WeakPolarHBondContact OE1-CA 3.48Å; E806-G833 PolarHBondContact OE1-N 3.33Å; E806-G833 PolarHBondContact OE2-N 3.02Å; C831-G833 PolarHBondContact O-N 3.45Å; G833-D835 VanDerWaalsContact C-N 3.31Å; G833-D835 PolarHBondContact O-N 2.97Å; G833-A837 WeakPolarHBondContact O-CB 3.32Å; G833-A837 PolarHBondContact O-N 3.1Å; G833-A837 VanDerWaalsContact O-N 3.16Å; G833-Q859 WeakPolarHBondContact CA-O 3.21Å
834	A	96.9	Very high	97.7	Very high	27 Å²	27	32.7 Å²	32.7	22%	0.223	16%	0.163	C	C	.	.	H	α-helix	trans	-63.5	-34.4	-178.5	0	0	0	0	0	113.1	E806 K838 L860 K863	E806-A834 PolarHBondContact OE1-N 3.45Å; A834-K838 WeakPolarHBondContact O-CB 3.48Å; A834-K838 PolarHBondContact O-N 3.46Å; A834-L860 WeakPolarHBondContact CB-O 3.47Å; A834-K863 HydrophobicContact CB-CB 3.83Å
835	D	96.6	Very high	97.6	Very high	111 Å²	111	35.7 Å²	35.7	59%	0.594	17%	0.174	S	C	*	.	H	α-helix	trans	-77.9	-40.6	-174.5	-76.1	-28.6	0	0	0	111.3	E806 G833 K838 R839	E806-D835 PolarHBondContact OE1-N 2.83Å; E806-D835 VanDerWaalsContact OE1-N 3.08Å; G833-D835 VanDerWaalsContact C-N 3.31Å; G833-D835 PolarHBondContact O-N 2.97Å; D835-K838 WeakPolarHBondContact O-CB 3.2Å; D835-K838 PolarHBondContact O-N 3.03Å; D835-R839 WeakPolarHBondContact O-CG 3.33Å; D835-R839 PolarHBondContact O-N 3.41Å
836	G	96.9	Very high	97.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-41.2	173.6	0	0	0	0	0	111.7	E806 K838 R839 I840	E806-G836 PolarHBondContact OE1-N 3.27Å; E806-G836 WeakPolarHBondContact OE2-CA 3.28Å; E806-G836 PolarHBondContact OE2-N 2.87Å; G836-K838 VanDerWaalsContact C-N 3.3Å; G836-K838 PolarHBondContact O-N 2.84Å; G836-R839 WeakPolarHBondContact O-CB 3.37Å; G836-R839 PolarHBondContact O-N 3.23Å; G836-R839 VanDerWaalsContact O-N 3.17Å; G836-I840 WeakPolarHBondContact O-CG1 3.35Å; G836-I840 PolarHBondContact O-N 2.77Å
837	A	97.6	Very high	97.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-36.5	172.6	0	0	0	0	0	112.6	G833 I840 A841 L860	G833-A837 WeakPolarHBondContact O-CB 3.32Å; G833-A837 PolarHBondContact O-N 3.1Å; G833-A837 VanDerWaalsContact O-N 3.16Å; A837-I840 PolarHBondContact O-N 3.37Å; A837-A841 VanDerWaalsContact O-CB 3.29Å; A837-A841 WeakPolarHBondContact O-CB 3.43Å; A837-A841 PolarHBondContact O-N 3.01Å; A837-L860 HydrophobicContact CB-CD1 4.13Å; A837-L860 HydrophobicContact CB-CD2 3.92Å; A837-L860 HydrophobicContact CB-CG 3.57Å
838	K	98.1	Very high	97.2	Very high	98 Å²	98	45.1 Å²	45.1	43%	0.426	22%	0.217	S	C	.	.	H	α-helix	trans	-61.5	-42.5	172	179.8	-173.7	174.1	-172.2	0	111.8	A834 D835 G836 A841 E842 A867	A834-K838 WeakPolarHBondContact O-CB 3.48Å; A834-K838 PolarHBondContact O-N 3.46Å; D835-K838 WeakPolarHBondContact O-CB 3.2Å; D835-K838 PolarHBondContact O-N 3.03Å; G836-K838 VanDerWaalsContact C-N 3.3Å; G836-K838 PolarHBondContact O-N 2.84Å; K838-A841 WeakPolarHBondContact O-CB 3.39Å; K838-A841 PolarHBondContact O-N 3.47Å; K838-E842 VanDerWaalsContact CE-OE1 3.27Å; K838-E842 WeakPolarHBondContact CE-OE1 3.25Å; K838-E842 WeakPolarHBondContact O-CG 3.16Å; K838-E842 PolarHBondContact O-N 3.3Å; K838-A867 HydrophobicContact CB-CB 3.89Å; K838-A867 HydrophobicContact CG-CB 4.05Å
839	R	98.1	Very high	97.1	Very high	120 Å²	120	44.7 Å²	44.7	45%	0.453	22%	0.217	S	C	.	.	H	α-helix	trans	-62.3	-46.2	175.5	-64.3	-55.4	-174.2	180	5.3	112.2	R810 A813 D835 G836 A841 E842 A843	R810-R839 HydrophobicContact CB-CG 4.32Å; R810-R839 HydrophobicContact CG-CG 4.27Å; A813-R839 HydrophobicContact CB-CB 3.89Å; A813-R839 WeakPolarHBondContact CB-O 3.09Å; D835-R839 WeakPolarHBondContact O-CG 3.33Å; D835-R839 PolarHBondContact O-N 3.41Å; G836-R839 WeakPolarHBondContact O-CB 3.37Å; G836-R839 PolarHBondContact O-N 3.23Å; G836-R839 VanDerWaalsContact O-N 3.17Å; R839-A841 VanDerWaalsContact C-N 3.3Å; R839-A841 PolarHBondContact O-N 3.42Å; R839-E842 IonicContact NH1-OE2 2.77Å; R839-E842 PolarHBondContact NH1-OE2 3.22Å; R839-E842 PolarHBondContact O-N 3.41Å; R839-A843 PolarHBondContact O-N 3.02Å; R839-A843 VanDerWaalsContact O-N 3.15Å
840	I	98.1	Very high	97.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.4	-44.7	175.6	-66.9	170	0	0	0	110	A809 A813 L816 G836 A837 E842 A843 L844 L853 L855	A809-I840 HydrophobicContact CB-CD1 4.18Å; A813-I840 HydrophobicContact CB-CG1 4.26Å; L816-I840 HydrophobicContact CD1-CG2 4.15Å; G836-I840 WeakPolarHBondContact O-CG1 3.35Å; G836-I840 PolarHBondContact O-N 2.77Å; A837-I840 PolarHBondContact O-N 3.37Å; I840-E842 PolarHBondContact O-N 2.87Å; I840-A843 PolarHBondContact O-N 2.85Å; I840-L844 HydrophobicContact CG2-CD1 4.16Å; I840-L844 HydrophobicContact CG2-CG 4.35Å; I840-L844 WeakPolarHBondContact O-CG 3.01Å; I840-L844 PolarHBondContact O-N 3.05Å; I840-L853 HydrophobicContact CG2-CD2 3.97Å; I840-L855 HydrophobicContact CD1-CD2 4.26Å
841	A	98.1	Very high	97.1	Very high	2 Å²	2	41.3 Å²	41.3	2%	0.017	21%	0.206	C	C	.	.	H	α-helix	trans	-60.6	-42.2	177.1	0	0	0	0	0	113	A837 K838 R839 A843 L844 K845 A867 L868 A871	A837-A841 VanDerWaalsContact O-CB 3.29Å; A837-A841 WeakPolarHBondContact O-CB 3.43Å; A837-A841 PolarHBondContact O-N 3.01Å; K838-A841 WeakPolarHBondContact O-CB 3.39Å; K838-A841 PolarHBondContact O-N 3.47Å; R839-A841 VanDerWaalsContact C-N 3.3Å; R839-A841 PolarHBondContact O-N 3.42Å; A841-A843 VanDerWaalsContact C-N 3.3Å; A841-A843 PolarHBondContact O-N 2.62Å; A841-L844 PolarHBondContact O-N 3.08Å; A841-K845 PolarHBondContact O-N 3.39Å; A841-A867 VanDerWaalsContact CB-C 3.46Å; A841-A867 HydrophobicContact CB-CB 4.01Å; A841-A867 WeakPolarHBondContact CB-O 3.17Å; A841-L868 HydrophobicContact CB-CD2 3.98Å; A841-L868 HydrophobicContact CB-CG 4.36Å; A841-A871 HydrophobicContact CB-CB 4.03Å; A841-A871 WeakPolarHBondContact O-CB 3.3Å
842	E	98	Very high	97.2	Very high	74 Å²	74	42.1 Å²	42.1	35%	0.346	21%	0.205	S	C	.	.	H	α-helix	trans	-57.4	-43.6	174.7	-76.1	169.6	179.6	0	0	111.1	K838 R839 I840 K845	K838-E842 VanDerWaalsContact CE-OE1 3.27Å; K838-E842 WeakPolarHBondContact CE-OE1 3.25Å; K838-E842 WeakPolarHBondContact O-CG 3.16Å; K838-E842 PolarHBondContact O-N 3.3Å; R839-E842 IonicContact NH1-OE2 2.77Å; R839-E842 PolarHBondContact NH1-OE2 3.22Å; R839-E842 PolarHBondContact O-N 3.41Å; I840-E842 PolarHBondContact O-N 2.87Å; E842-K845 WeakPolarHBondContact O-CB 3.38Å; E842-K845 PolarHBondContact O-N 3.4Å
843	A	97.8	Very high	97.3	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.017	21%	0.205	C	C	.	.	H	α-helix	trans	-69.5	-36.9	178.6	0	0	0	0	0	113.7	A813 L816 L817 R839 I840 A841 K845 T846 N847	A813-A843 HydrophobicContact CB-CB 4.18Å; A813-A843 WeakPolarHBondContact O-CB 3.3Å; L816-A843 HydrophobicContact CB-CB 3.83Å; L817-A843 HydrophobicContact CD2-CB 3.91Å; L817-A843 HydrophobicContact CG-CB 3.85Å; R839-A843 PolarHBondContact O-N 3.02Å; R839-A843 VanDerWaalsContact O-N 3.15Å; I840-A843 PolarHBondContact O-N 2.85Å; A841-A843 VanDerWaalsContact C-N 3.3Å; A841-A843 PolarHBondContact O-N 2.62Å; A843-K845 PolarHBondContact O-N 3.18Å; A843-T846 PolarHBondContact O-N 2.8Å; A843-T846 VanDerWaalsContact O-N 3.16Å; A843-T846 PolarHBondContact O-OG1 3.17Å; A843-N847 PolarHBondContact O-N 3.34Å
844	L	97.3	Very high	97.4	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-25.3	177.1	-72.7	174.5	0	0	0	113.2	L816 I840 A841 T846 L850 L853 L868 A871 N875	L816-L844 HydrophobicContact CD1-CD2 4.34Å; I840-L844 HydrophobicContact CG2-CD1 4.16Å; I840-L844 HydrophobicContact CG2-CG 4.35Å; I840-L844 WeakPolarHBondContact O-CG 3.01Å; I840-L844 PolarHBondContact O-N 3.05Å; A841-L844 PolarHBondContact O-N 3.08Å; L844-T846 PolarHBondContact O-N 2.9Å; L844-L850 HydrophobicContact CD2-CD2 3.79Å; L844-L853 HydrophobicContact CD1-CD2 3.79Å; L844-L868 HydrophobicContact CD1-CD2 4.07Å; L844-A871 HydrophobicContact CB-CB 4.08Å; L844-N875 WeakPolarHBondContact O-CB 3.3Å; L844-N875 PolarHBondContact O-ND2 3.06Å
845	K	96.9	Very high	97.5	Very high	79 Å²	79	41.4 Å²	41.4	34%	0.343	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-33	176.5	-68	177.9	-178.6	179.3	0	112.3	A841 E842 A843 A871 V874	A841-K845 PolarHBondContact O-N 3.39Å; E842-K845 WeakPolarHBondContact O-CB 3.38Å; E842-K845 PolarHBondContact O-N 3.4Å; A843-K845 PolarHBondContact O-N 3.18Å; K845-A871 HydrophobicContact CG-CB 4.07Å; K845-V874 HydrophobicContact CB-CG2 3.88Å; K845-V874 HydrophobicContact CG-CG2 3.78Å
846	T	95.9	Very high	97.5	Very high	77 Å²	77	36.2 Å²	36.2	47%	0.472	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-30.1	-178.6	52.4	0	0	0	0	113.4	L817 A843 L844	L817-T846 WeakPolarHBondContact CD2-OG1 3.45Å; A843-T846 PolarHBondContact O-N 2.8Å; A843-T846 VanDerWaalsContact O-N 3.16Å; A843-T846 PolarHBondContact O-OG1 3.17Å; L844-T846 PolarHBondContact O-N 2.9Å
847	N	96.1	Very high	97.6	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	18%	0.178	C	C	.	.			trans	-65.9	136	179.8	-174.2	-82.6	0	0	0	110.7	L816 A843 T849 L850 N875	L816-N847 HydrophobicContact CB-CB 4.49Å; L816-N847 WeakPolarHBondContact O-CB 3.5Å; L816-N847 PolarHBondContact O-ND2 3.26Å; A843-N847 PolarHBondContact O-N 3.34Å; N847-T849 PolarHBondContact ND2-OG1 3.44Å; N847-T849 PolarHBondContact OD1-N 2.98Å; N847-T849 PolarHBondContact OD1-OG1 3.5Å; N847-L850 WeakPolarHBondContact OD1-CB 3.42Å; N847-L850 PolarHBondContact OD1-N 3.39Å; N847-N875 PolarHBondContact O-ND2 2.75Å
848	R	95.3	Very high	97.6	Very high	139 Å²	139	38.1 Å²	38.1	53%	0.525	18%	0.18	S	C	.	.			trans	-122	4.8	179.6	-58.9	-62.4	-179.9	171.8	-4.8	113.4	V874 S877	R848-V874 PolarHBondContact NH1-O 3.41Å; R848-S877 WeakPolarHBondContact CA-OG 3.48Å; R848-S877 VanDerWaalsContact O-CB 3.25Å; R848-S877 WeakPolarHBondContact O-CB 3.47Å
849	T	96.3	Very high	97.4	Very high	31 Å²	31	39.7 Å²	39.7	19%	0.19	19%	0.189	C	C	.	.	S	Bend	trans	-108.4	-32.3	-169.9	63.3	0	0	0	0	112.2	R820 L822 N847 T851	R820-T849 HydrophobicContact CB-CG2 4.3Å; R820-T849 WeakPolarHBondContact O-CG2 3.18Å; L822-T849 CarbonylContact O-C 3.5Å; L822-T849 PolarHBondContact O-OG1 2.96Å; L822-T849 VanDerWaalsContact O-OG1 3.09Å; N847-T849 PolarHBondContact ND2-OG1 3.44Å; N847-T849 PolarHBondContact OD1-N 2.98Å; N847-T849 PolarHBondContact OD1-OG1 3.5Å; T849-T851 PolarHBondContact O-N 3.35Å
850	L	97.6	Very high	97.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.168	C	C	.	.			trans	-70	121.4	177.2	-160.7	79.2	0	0	0	109.8	L816 L822 V823 L825 L844 N847 L853 S877 L878	L816-L850 HydrophobicContact CD1-CD2 4.31Å; L816-L850 HydrophobicContact CD2-CB 4.5Å; L816-L850 HydrophobicContact CD2-CD1 4.11Å; L816-L850 HydrophobicContact CD2-CD2 4.09Å; L816-L850 HydrophobicContact CD2-CG 4.48Å; L822-L850 HydrophobicContact CD2-CD1 4.47Å; L822-L850 HydrophobicContact CG-CD1 4.36Å; L822-L850 PolarHBondContact O-N 2.81Å; V823-L850 WeakPolarHBondContact O-CD1 3.28Å; L825-L850 HydrophobicContact CB-CD1 3.92Å; L844-L850 HydrophobicContact CD2-CD2 3.79Å; N847-L850 WeakPolarHBondContact OD1-CB 3.42Å; N847-L850 PolarHBondContact OD1-N 3.39Å; L850-L853 HydrophobicContact CD2-CB 4.07Å; L850-L853 HydrophobicContact CD2-CD1 4.33Å; L850-S877 CarbonylContact O-C 3.59Å; L850-S877 PolarHBondContact O-OG 3.25Å; L850-L878 HydrophobicContact CD2-CD1 4.29Å; L850-L878 HydrophobicContact CG-CD1 4.41Å
851	T	98.1	Very high	97.3	Very high	46 Å²	46	35 Å²	35	28%	0.282	18%	0.177	S	C	.	.			trans	-109.8	-22.8	178.1	65.3	0	0	0	0	112.4	V823 T849 S877 H879 S880	V823-T851 HydrophobicContact CG1-CG2 4.09Å; V823-T851 WeakPolarHBondContact CG1-OG1 3.28Å; V823-T851 PolarHBondContact O-N 3.38Å; V823-T851 PolarHBondContact O-OG1 2.92Å; T849-T851 PolarHBondContact O-N 3.35Å; T851-S877 WeakPolarHBondContact CA-O 3.26Å; T851-H879 PolarHBondContact O-N 3.3Å; T851-S880 PolarHBondContact O-N 3.24Å
852	E	98.6	Very high	97.3	Very high	65 Å²	65	36.9 Å²	36.9	30%	0.304	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.9	179.3	-178.8	177.4	-121.4	0	0	111.4	V823 S824 L825 I854	V823-E852 PolarHBondContact O-N 2.83Å; V823-E852 VanDerWaalsContact O-N 3.14Å; S824-E852 WeakPolarHBondContact CB-OE2 3.41Å; S824-E852 PolarHBondContact OG-OE2 3.24Å; L825-E852 PolarHBondContact N-O 2.8Å; L825-E852 VanDerWaalsContact N-O 3.13Å; E852-I854 HydrophobicContact CG-CD1 4.35Å; E852-I854 HydrophobicContact CG-CG1 4.14Å
853	L	98.6	Very high	97.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	118.9	175.1	179.4	59.2	0	0	0	110.4	L825 I840 L844 L850 L855 L878 S880 L881 H882	L825-L853 HydrophobicContact CB-CD1 4.29Å; L825-L853 HydrophobicContact CD2-CD1 4.19Å; L825-L853 HydrophobicContact CG-CD1 4.29Å; I840-L853 HydrophobicContact CG2-CD2 3.97Å; L844-L853 HydrophobicContact CD1-CD2 3.79Å; L850-L853 HydrophobicContact CD2-CB 4.07Å; L850-L853 HydrophobicContact CD2-CD1 4.33Å; L853-L855 HydrophobicContact CD1-CD1 4.26Å; L853-L855 HydrophobicContact CD1-CG 4.19Å; L853-L855 HydrophobicContact CD2-CD1 3.68Å; L853-L855 HydrophobicContact CD2-CG 4.46Å; L853-L855 HydrophobicContact CG-CD1 3.83Å; L853-L855 HydrophobicContact CG-CG 4.11Å; L853-L878 HydrophobicContact CB-CD1 3.84Å; L853-L878 HydrophobicContact CB-CD2 4.4Å; L853-S880 PolarHBondContact N-O 3.13Å; L853-L881 HydrophobicContact CB-CD1 4.27Å; L853-L881 HydrophobicContact CD2-CD1 4.23Å; L853-L881 HydrophobicContact CG-CD1 4.29Å; L853-H882 PolarHBondContact O-N 2.97Å
854	I	98.7	Very high	97.2	Very high	21 Å²	21	41.5 Å²	41.5	11%	0.108	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	108.9	179.7	-54.5	166.4	0	0	0	109.4	L825 N826 V827 Q828 E852 H882	L825-I854 PolarHBondContact O-N 2.91Å; N826-I854 HydrophobicContact CB-CB 4.22Å; N826-I854 HydrophobicContact CB-CD1 4.09Å; V827-I854 CarbonylContact C-O 3.41Å; V827-I854 VanDerWaalsContact CG2-O 3.28Å; V827-I854 WeakPolarHBondContact CG2-O 3.35Å; V827-I854 PolarHBondContact N-O 3.42Å; Q828-I854 HydrophobicContact CB-CG2 3.97Å; Q828-I854 PolarHBondContact N-O 2.97Å; E852-I854 HydrophobicContact CG-CD1 4.35Å; E852-I854 HydrophobicContact CG-CG1 4.14Å; I854-H882 HydrophobicContact CB-CB 4.38Å; I854-H882 HydrophobicContact CG1-CB 4.35Å; I854-H882 HydrophobicContact CG2-CB 4.03Å
855	L	98.1	Very high	97.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.			trans	-116.4	13.5	-179.4	-81.5	161.3	0	0	0	112.4	V827 I832 I840 L853 N858 L860 L868 H882 L883 N886	V827-L855 HydrophobicContact CG2-CD2 3.42Å; V827-L855 VanDerWaalsContact CG2-CD2 3.42Å; V827-L855 HydrophobicContact CG2-CG 4Å; I832-L855 HydrophobicContact CD1-CD2 4.2Å; I840-L855 HydrophobicContact CD1-CD2 4.26Å; L853-L855 HydrophobicContact CD1-CD1 4.26Å; L853-L855 HydrophobicContact CD1-CG 4.19Å; L853-L855 HydrophobicContact CD2-CD1 3.68Å; L853-L855 HydrophobicContact CD2-CG 4.46Å; L853-L855 HydrophobicContact CG-CD1 3.83Å; L853-L855 HydrophobicContact CG-CG 4.11Å; L855-N858 PolarHBondContact O-ND2 3.3Å; L855-L860 HydrophobicContact CB-CD2 4.45Å; L855-L860 HydrophobicContact CD1-CD2 4.32Å; L855-L860 HydrophobicContact CD2-CD1 4.43Å; L855-L868 HydrophobicContact CD1-CD1 3.98Å; L855-L868 HydrophobicContact CD1-CD2 4.38Å; L855-H882 CarbonylContact C-O 3.26Å; L855-H882 WeakPolarHBondContact CA-O 3.33Å; L855-H882 PolarHBondContact N-O 3.21Å; L855-L883 HydrophobicContact CB-CD2 4.03Å; L855-L883 HydrophobicContact CD1-CD2 4.38Å; L855-N886 PolarHBondContact O-ND2 2.96Å
856	S	98	Very high	97.3	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	20%	0.2	C	C	.	.			trans	-55.5	148.9	-177.6	-58	0	0	0	0	113.4	Q828 K829 N858 H882 Q884	Q828-S856 CarbonylContact C-O 3.53Å; Q828-S856 WeakPolarHBondContact CA-O 3.5Å; Q828-S856 WeakPolarHBondContact CG-O 3.46Å; K829-S856 PolarHBondContact N-O 2.93Å; S856-N858 PolarHBondContact O-N 3.08Å; S856-N858 PolarHBondContact O-ND2 3.27Å; S856-H882 PolarHBondContact N-O 3.42Å; S856-H882 WeakPolarHBondContact OG-CB 3.37Å; S856-Q884 CarbonylContact C-O 3.28Å; S856-Q884 VanDerWaalsContact CA-O 3.23Å; S856-Q884 WeakPolarHBondContact CA-O 3.22Å
857	S	97.8	Very high	97.5	Very high	32 Å²	32	35.9 Å²	35.9	22%	0.224	18%	0.182	C	C	.	.	S	Bend	trans	55.2	51.4	177.6	-55.3	0	0	0	0	113.1	K829 Q884 S885	K829-S857 WeakPolarHBondContact CA-O 3.36Å; K829-S857 VanDerWaalsContact CG-CB 3.49Å; K829-S857 PolarHBondContact N-O 3.1Å; S857-Q884 PolarHBondContact N-O 2.7Å; S857-S885 VanDerWaalsContact CA-O 3.22Å; S857-S885 WeakPolarHBondContact CA-O 3.23Å; S857-S885 PolarHBondContact N-O 2.98Å
858	N	97.7	Very high	97.6	Very high	8 Å²	8	36 Å²	36	4%	0.043	18%	0.183	C	C	.	.	S	Bend	trans	-124.1	-168.8	173.2	-81.6	-80.4	0	0	0	109.1	V827 N830 I832 L855 S856 L860 S885 N886	V827-N858 PolarHBondContact O-ND2 2.92Å; N830-N858 VanDerWaalsContact CA-OD1 3.32Å; N830-N858 WeakPolarHBondContact CA-OD1 3.47Å; N830-N858 VanDerWaalsContact CB-OD1 3.3Å; N830-N858 WeakPolarHBondContact CB-OD1 3.31Å; N830-N858 PolarHBondContact N-OD1 2.86Å; N830-N858 PolarHBondContact O-OD1 3.28Å; I832-N858 HydrophobicContact CB-CB 4.36Å; I832-N858 WeakPolarHBondContact CB-OD1 3.45Å; I832-N858 PolarHBondContact N-OD1 3.41Å; L855-N858 PolarHBondContact O-ND2 3.3Å; S856-N858 PolarHBondContact O-N 3.08Å; S856-N858 PolarHBondContact O-ND2 3.27Å; N858-L860 HydrophobicContact CB-CD1 3.57Å; N858-S885 PolarHBondContact N-O 3.22Å; N858-N886 WeakPolarHBondContact CA-OD1 3.17Å; N858-N886 VanDerWaalsContact CB-OD1 3.31Å; N858-N886 WeakPolarHBondContact CB-OD1 3.16Å; N858-N886 PolarHBondContact N-OD1 2.95Å; N858-N886 PolarHBondContact O-OD1 2.78Å
859	Q	95.2	Very high	97.7	Very high	132 Å²	132	29.5 Å²	29.5	62%	0.617	16%	0.159	S	C	*	.			trans	-118.8	39.1	-173.9	-60.4	176.3	28.1	0	0	111.8	I832 G833 G861	I832-Q859 CarbonylContact O-C 3.53Å; I832-Q859 WeakPolarHBondContact O-CA 3.4Å; I832-Q859 PolarHBondContact O-N 2.96Å; G833-Q859 WeakPolarHBondContact CA-O 3.21Å; Q859-G861 PolarHBondContact O-N 3.26Å
860	L	96.1	Very high	97.8	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	18%	0.176	C	C	.	.			trans	-59.7	-45.8	-174.4	-91.1	63	0	0	0	113.1	I832 A834 A837 L855 N858 G864 L868 L883 N886	I832-L860 HydrophobicContact CG2-CD1 4.36Å; A834-L860 WeakPolarHBondContact CB-O 3.47Å; A837-L860 HydrophobicContact CB-CD1 4.13Å; A837-L860 HydrophobicContact CB-CD2 3.92Å; A837-L860 HydrophobicContact CB-CG 3.57Å; L855-L860 HydrophobicContact CB-CD2 4.45Å; L855-L860 HydrophobicContact CD1-CD2 4.32Å; L855-L860 HydrophobicContact CD2-CD1 4.43Å; N858-L860 HydrophobicContact CB-CD1 3.57Å; L860-G864 PolarHBondContact O-N 3.29Å; L860-G864 VanDerWaalsContact O-N 3.14Å; L860-L868 HydrophobicContact CD2-CD1 3.65Å; L860-L883 HydrophobicContact CD2-CD2 3.84Å; L860-N886 HydrophobicContact CB-CB 4.21Å; L860-N886 WeakPolarHBondContact CB-OD1 3.21Å; L860-N886 WeakPolarHBondContact CD1-OD1 3.45Å; L860-N886 PolarHBondContact N-OD1 3.41Å
861	G	96.8	Very high	97.8	Very high	18 Å²	18	33.6 Å²	33.6	19%	0.186	18%	0.176	C	C	.	.	H	α-helix	trans	55.8	-173.4	-171.6	0	0	0	0	0	113.8	Q859 K863 G864 T865 N886	Q859-G861 PolarHBondContact O-N 3.26Å; G861-K863 VanDerWaalsContact C-N 3.27Å; G861-K863 PolarHBondContact O-N 2.97Å; G861-G864 PolarHBondContact O-N 3.2Å; G861-T865 PolarHBondContact O-N 2.97Å; G861-T865 PolarHBondContact O-OG1 2.84Å; G861-T865 VanDerWaalsContact O-OG1 3.08Å; G861-N886 WeakPolarHBondContact CA-O 3.47Å; G861-N886 PolarHBondContact N-O 2.95Å
862	D	97.9	Very high	97.8	Very high	43 Å²	43	31.6 Å²	31.6	23%	0.23	16%	0.164	C	C	.	.	H	α-helix	trans	-60.6	-34.1	-176.6	-66.4	-35.7	0	0	0	113.7	A866 S889 K891 G892	D862-A866 VanDerWaalsContact O-CB 3.26Å; D862-A866 WeakPolarHBondContact O-CB 3.22Å; D862-A866 PolarHBondContact O-N 2.8Å; D862-S889 WeakPolarHBondContact OD1-CA 3.24Å; D862-S889 WeakPolarHBondContact OD1-CB 3.47Å; D862-S889 PolarHBondContact OD1-N 2.81Å; D862-S889 PolarHBondContact OD1-OG 3.31Å; D862-S889 VanDerWaalsContact OD1-OG 3.06Å; D862-S889 PolarHBondContact OD2-OG 3.18Å; D862-K891 HydrophobicContact CB-CB 4.24Å; D862-G892 WeakPolarHBondContact OD1-CA 3.18Å; D862-G892 PolarHBondContact OD1-N 3.16Å
863	K	97.7	Very high	97.7	Very high	172 Å²	172	31.1 Å²	31.1	75%	0.748	17%	0.165	S	C	*	.	H	α-helix	trans	-68.2	-46	-179.6	-68.7	-176.1	-177.5	177.5	0	111.5	A834 G861 A866 A867	A834-K863 HydrophobicContact CB-CB 3.83Å; G861-K863 VanDerWaalsContact C-N 3.27Å; G861-K863 PolarHBondContact O-N 2.97Å; K863-A866 PolarHBondContact O-N 3.44Å; K863-A867 PolarHBondContact O-N 2.96Å; K863-A867 VanDerWaalsContact O-N 3.12Å
864	G	97.4	Very high	97.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.5	-44.2	175.8	0	0	0	0	0	111.6	L860 G861 A866 A867 L868	L860-G864 PolarHBondContact O-N 3.29Å; L860-G864 VanDerWaalsContact O-N 3.14Å; G861-G864 PolarHBondContact O-N 3.2Å; G864-A866 VanDerWaalsContact C-N 3.35Å; G864-A866 PolarHBondContact O-N 2.87Å; G864-A867 PolarHBondContact O-N 3.17Å; G864-L868 PolarHBondContact O-N 3.37Å
865	T	98	Very high	97.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-41	175.2	-55.1	0	0	0	0	112.4	G861 A867 L868 A869 I888 L896	G861-T865 PolarHBondContact O-N 2.97Å; G861-T865 PolarHBondContact O-OG1 2.84Å; G861-T865 VanDerWaalsContact O-OG1 3.08Å; T865-A867 VanDerWaalsContact C-N 3.3Å; T865-A867 PolarHBondContact O-N 2.97Å; T865-L868 PolarHBondContact O-N 3.44Å; T865-A869 WeakPolarHBondContact O-CB 3.28Å; T865-A869 PolarHBondContact O-N 3.41Å; T865-I888 HydrophobicContact CG2-CD1 4.21Å; T865-I888 HydrophobicContact CG2-CG2 4.13Å; T865-I888 WeakPolarHBondContact OG1-CD1 3.18Å; T865-I888 WeakPolarHBondContact OG1-CG1 3.5Å; T865-L896 HydrophobicContact CG2-CB 4.24Å; T865-L896 HydrophobicContact CG2-CD2 4.5Å
866	A	98.3	Very high	97.4	Very high	29 Å²	29	37 Å²	37	24%	0.24	20%	0.196	C	C	.	.	H	α-helix	trans	-63.5	-36.5	176.8	0	0	0	0	0	112.3	D862 K863 G864 A869 Q870 A895	D862-A866 VanDerWaalsContact O-CB 3.26Å; D862-A866 WeakPolarHBondContact O-CB 3.22Å; D862-A866 PolarHBondContact O-N 2.8Å; K863-A866 PolarHBondContact O-N 3.44Å; G864-A866 VanDerWaalsContact C-N 3.35Å; G864-A866 PolarHBondContact O-N 2.87Å; A866-A869 PolarHBondContact O-N 3Å; A866-Q870 WeakPolarHBondContact O-CG 3.35Å; A866-Q870 PolarHBondContact O-N 2.98Å; A866-Q870 VanDerWaalsContact O-N 3.08Å; A866-A895 HydrophobicContact CB-CB 3.81Å
867	A	98.3	Very high	97.3	Very high	13 Å²	13	37.7 Å²	37.7	11%	0.107	20%	0.201	C	C	.	.	H	α-helix	trans	-66.1	-47.1	174.6	0	0	0	0	0	111.7	K838 A841 K863 G864 T865 A869 Q870 A871	K838-A867 HydrophobicContact CB-CB 3.89Å; K838-A867 HydrophobicContact CG-CB 4.05Å; A841-A867 VanDerWaalsContact CB-C 3.46Å; A841-A867 HydrophobicContact CB-CB 4.01Å; A841-A867 WeakPolarHBondContact CB-O 3.17Å; K863-A867 PolarHBondContact O-N 2.96Å; K863-A867 VanDerWaalsContact O-N 3.12Å; G864-A867 PolarHBondContact O-N 3.17Å; T865-A867 VanDerWaalsContact C-N 3.3Å; T865-A867 PolarHBondContact O-N 2.97Å; A867-A869 VanDerWaalsContact C-N 3.3Å; A867-A869 PolarHBondContact O-N 2.99Å; A867-Q870 WeakPolarHBondContact O-CB 3.3Å; A867-Q870 PolarHBondContact O-N 3.32Å; A867-Q870 VanDerWaalsContact O-N 3.16Å; A867-A871 PolarHBondContact O-N 3.45Å; A867-A871 VanDerWaalsContact O-N 3.14Å
868	L	98.3	Very high	97.3	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-59	-42	174.7	-72.2	170.3	0	0	0	111.7	A841 L844 L855 L860 G864 T865 Q870 A871 L872 L883	A841-L868 HydrophobicContact CB-CD2 3.98Å; A841-L868 HydrophobicContact CB-CG 4.36Å; L844-L868 HydrophobicContact CD1-CD2 4.07Å; L855-L868 HydrophobicContact CD1-CD1 3.98Å; L855-L868 HydrophobicContact CD1-CD2 4.38Å; L860-L868 HydrophobicContact CD2-CD1 3.65Å; G864-L868 PolarHBondContact O-N 3.37Å; T865-L868 PolarHBondContact O-N 3.44Å; L868-Q870 VanDerWaalsContact C-N 3.33Å; L868-Q870 PolarHBondContact O-N 2.76Å; L868-A871 WeakPolarHBondContact O-CB 3.3Å; L868-A871 PolarHBondContact O-N 2.84Å; L868-L872 WeakPolarHBondContact O-CG 3.35Å; L868-L872 PolarHBondContact O-N 3.14Å; L868-L883 HydrophobicContact CD1-CD2 3.82Å
869	A	98.1	Very high	97.4	Very high	3 Å²	3	39.6 Å²	39.6	3%	0.025	21%	0.206	C	C	.	.	H	α-helix	trans	-57.9	-44.5	175.5	0	0	0	0	0	111.8	T865 A866 A867 A871 L872 T873 A895 L896 A899	T865-A869 WeakPolarHBondContact O-CB 3.28Å; T865-A869 PolarHBondContact O-N 3.41Å; A866-A869 PolarHBondContact O-N 3Å; A867-A869 VanDerWaalsContact C-N 3.3Å; A867-A869 PolarHBondContact O-N 2.99Å; A869-A871 VanDerWaalsContact C-N 3.28Å; A869-A871 PolarHBondContact O-N 3.08Å; A869-L872 PolarHBondContact O-N 3.1Å; A869-T873 PolarHBondContact O-N 2.89Å; A869-A895 VanDerWaalsContact CB-C 3.5Å; A869-A895 HydrophobicContact CB-CB 4.04Å; A869-A895 WeakPolarHBondContact CB-O 3.23Å; A869-L896 HydrophobicContact CB-CB 4.47Å; A869-L896 HydrophobicContact CB-CD1 4.37Å; A869-A899 HydrophobicContact CB-CB 4.08Å; A869-A899 WeakPolarHBondContact O-CB 3.47Å
870	Q	97.8	Very high	97.5	Very high	117 Å²	117	34.1 Å²	34.1	55%	0.547	18%	0.182	S	C	.	.	H	α-helix	trans	-59.8	-39.2	174.6	-70.6	176.9	20	0	0	112.1	A866 A867 L868 T873	A866-Q870 WeakPolarHBondContact O-CG 3.35Å; A866-Q870 PolarHBondContact O-N 2.98Å; A866-Q870 VanDerWaalsContact O-N 3.08Å; A867-Q870 WeakPolarHBondContact O-CB 3.3Å; A867-Q870 PolarHBondContact O-N 3.32Å; A867-Q870 VanDerWaalsContact O-N 3.16Å; L868-Q870 VanDerWaalsContact C-N 3.33Å; L868-Q870 PolarHBondContact O-N 2.76Å; Q870-T873 PolarHBondContact O-N 2.85Å; Q870-T873 PolarHBondContact O-OG1 3.44Å
871	A	98	Very high	97.6	Very high	1 Å²	1	34 Å²	34	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-64.7	-40.8	176.4	0	0	0	0	0	112.5	A841 L844 K845 A867 L868 A869 T873 V874 N875	A841-A871 HydrophobicContact CB-CB 4.03Å; A841-A871 WeakPolarHBondContact O-CB 3.3Å; L844-A871 HydrophobicContact CB-CB 4.08Å; K845-A871 HydrophobicContact CG-CB 4.07Å; A867-A871 PolarHBondContact O-N 3.45Å; A867-A871 VanDerWaalsContact O-N 3.14Å; L868-A871 WeakPolarHBondContact O-CB 3.3Å; L868-A871 PolarHBondContact O-N 2.84Å; A869-A871 VanDerWaalsContact C-N 3.28Å; A869-A871 PolarHBondContact O-N 3.08Å; A871-T873 PolarHBondContact O-N 2.98Å; A871-V874 VanDerWaalsContact O-CG2 3.25Å; A871-V874 WeakPolarHBondContact O-CG2 3.21Å; A871-V874 PolarHBondContact O-N 2.94Å; A871-V874 VanDerWaalsContact O-N 3.11Å; A871-N875 WeakPolarHBondContact O-CB 3.4Å; A871-N875 PolarHBondContact O-N 3.05Å
872	L	97.8	Very high	97.7	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-65	-17.4	177.8	-67.8	173.8	0	0	0	113.7	L868 A869 V874 L878 L881 L896 A899 N903	L868-L872 WeakPolarHBondContact O-CG 3.35Å; L868-L872 PolarHBondContact O-N 3.14Å; A869-L872 PolarHBondContact O-N 3.1Å; L872-V874 PolarHBondContact O-N 3.32Å; L872-L878 HydrophobicContact CD2-CD2 4.05Å; L872-L881 HydrophobicContact CD1-CD2 3.86Å; L872-L896 HydrophobicContact CD1-CD1 3.71Å; L872-A899 HydrophobicContact CB-CB 4.17Å; L872-N903 PolarHBondContact O-ND2 2.91Å
873	T	96.8	Very high	97.7	Very high	55 Å²	55	33 Å²	33	34%	0.337	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.5	173.2	65	0	0	0	0	112.9	A869 Q870 A871 A899 L902	A869-T873 PolarHBondContact O-N 2.89Å; Q870-T873 PolarHBondContact O-N 2.85Å; Q870-T873 PolarHBondContact O-OG1 3.44Å; A871-T873 PolarHBondContact O-N 2.98Å; T873-A899 HydrophobicContact CG2-CB 3.84Å; T873-L902 HydrophobicContact CG2-CD1 4.45Å
874	V	96.8	Very high	97.8	Very high	63 Å²	63	26.8 Å²	26.8	38%	0.382	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-25.5	-176.8	-62.6	0	0	0	0	113.6	K845 R848 A871 L872	K845-V874 HydrophobicContact CB-CG2 3.88Å; K845-V874 HydrophobicContact CG-CG2 3.78Å; R848-V874 PolarHBondContact NH1-O 3.41Å; A871-V874 VanDerWaalsContact O-CG2 3.25Å; A871-V874 WeakPolarHBondContact O-CG2 3.21Å; A871-V874 PolarHBondContact O-N 2.94Å; A871-V874 VanDerWaalsContact O-N 3.11Å; L872-V874 PolarHBondContact O-N 3.32Å
875	N	96.7	Very high	97.8	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.159	C	C	.	.			trans	-85.5	121	177.7	-174.3	-72.2	0	0	0	110.2	L844 N847 A871 S877 L878 N903	L844-N875 WeakPolarHBondContact O-CB 3.3Å; L844-N875 PolarHBondContact O-ND2 3.06Å; N847-N875 PolarHBondContact O-ND2 2.75Å; A871-N875 WeakPolarHBondContact O-CB 3.4Å; A871-N875 PolarHBondContact O-N 3.05Å; N875-S877 PolarHBondContact ND2-OG 3.42Å; N875-S877 VanDerWaalsContact ND2-OG 3.13Å; N875-S877 PolarHBondContact OD1-N 3.21Å; N875-S877 VanDerWaalsContact OD1-N 3.09Å; N875-S877 PolarHBondContact OD1-OG 3.04Å; N875-L878 WeakPolarHBondContact OD1-CB 3.35Å; N875-L878 PolarHBondContact OD1-N 2.98Å; N875-N903 PolarHBondContact O-ND2 2.84Å
876	H	95.7	Very high	97.8	Very high	80 Å²	80	28.9 Å²	28.9	37%	0.37	16%	0.159	S	C	.	.			trans	-120.4	8.7	174.7	-53.7	-48.7	0	0	0	112.6	N903 G905	H876-N903 PolarHBondContact ND1-ND2 3.2Å; H876-G905 WeakPolarHBondContact O-CA 3.31Å
877	S	96.7	Very high	97.7	Very high	17 Å²	17	31.5 Å²	31.5	12%	0.119	18%	0.176	C	C	.	.	S	Bend	trans	-86.8	-25.3	175.5	64.3	0	0	0	0	112.3	R848 L850 T851 N875 H879	R848-S877 WeakPolarHBondContact CA-OG 3.48Å; R848-S877 VanDerWaalsContact O-CB 3.25Å; R848-S877 WeakPolarHBondContact O-CB 3.47Å; L850-S877 CarbonylContact O-C 3.59Å; L850-S877 PolarHBondContact O-OG 3.25Å; T851-S877 WeakPolarHBondContact CA-O 3.26Å; N875-S877 PolarHBondContact ND2-OG 3.42Å; N875-S877 VanDerWaalsContact ND2-OG 3.13Å; N875-S877 PolarHBondContact OD1-N 3.21Å; N875-S877 VanDerWaalsContact OD1-N 3.09Å; N875-S877 PolarHBondContact OD1-OG 3.04Å; S877-H879 PolarHBondContact O-CE1 3.07Å; S877-H879 VanDerWaalsContact O-CE1 3.25Å; S877-H879 PolarHBondContact O-N 2.98Å; S877-H879 PolarHBondContact O-ND1 2.87Å
878	L	97.9	Very high	97.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.171	C	C	.	.			trans	-75	116	178	-165.8	74.9	0	0	0	110	L850 L853 L872 N875 L881 G905 L906	L850-L878 HydrophobicContact CD2-CD1 4.29Å; L850-L878 HydrophobicContact CG-CD1 4.41Å; L853-L878 HydrophobicContact CB-CD1 3.84Å; L853-L878 HydrophobicContact CB-CD2 4.4Å; L872-L878 HydrophobicContact CD2-CD2 4.05Å; N875-L878 WeakPolarHBondContact OD1-CB 3.35Å; N875-L878 PolarHBondContact OD1-N 2.98Å; L878-L881 HydrophobicContact CD2-CB 4.11Å; L878-L881 HydrophobicContact CD2-CD1 4.28Å; L878-G905 CarbonylContact O-C 3.41Å; L878-L906 HydrophobicContact CG-CD1 4.47Å; L878-L906 WeakPolarHBondContact O-CA 3.43Å
879	H	98.3	Very high	97.6	Very high	78 Å²	78	32.2 Å²	32.2	36%	0.361	18%	0.181	S	C	.	.			trans	-99.2	-31.9	-178.2	-64.9	95.9	0	0	0	112.2	T851 S877 G905 I907 C908	T851-H879 PolarHBondContact O-N 3.3Å; S877-H879 PolarHBondContact O-CE1 3.07Å; S877-H879 VanDerWaalsContact O-CE1 3.25Å; S877-H879 PolarHBondContact O-N 2.98Å; S877-H879 PolarHBondContact O-ND1 2.87Å; H879-G905 PolarHBondContact CD2-O 2.97Å; H879-G905 VanDerWaalsContact CD2-O 3.29Å; H879-I907 HydrophobicContact CB-CD1 4.36Å; H879-I907 PolarHBondContact O-N 3.1Å; H879-C908 PolarHBondContact O-N 2.95Å
880	S	98.6	Very high	97.6	Very high	17 Å²	17	34.6 Å²	34.6	12%	0.119	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127	-179.3	-163.2	0	0	0	0	111.9	T851 L853 H882	T851-S880 PolarHBondContact O-N 3.24Å; L853-S880 PolarHBondContact N-O 3.13Å; S880-H882 PolarHBondContact OG-CD2 2.87Å; S880-H882 PolarHBondContact OG-NE2 3.03Å
881	L	98.6	Very high	97.5	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	119.3	177.5	179.2	58.9	0	0	0	110.7	L853 L872 L878 L883 L906 C908 L909 N910	L853-L881 HydrophobicContact CB-CD1 4.27Å; L853-L881 HydrophobicContact CD2-CD1 4.23Å; L853-L881 HydrophobicContact CG-CD1 4.29Å; L872-L881 HydrophobicContact CD1-CD2 3.86Å; L878-L881 HydrophobicContact CD2-CB 4.11Å; L878-L881 HydrophobicContact CD2-CD1 4.28Å; L881-L883 HydrophobicContact CD1-CD2 4.13Å; L881-L883 HydrophobicContact CD1-CG 4.18Å; L881-L883 HydrophobicContact CD2-CD1 3.95Å; L881-L883 HydrophobicContact CD2-CG 4.34Å; L881-L883 HydrophobicContact CG-CD1 4.12Å; L881-L883 HydrophobicContact CG-CD2 4.44Å; L881-L883 HydrophobicContact CG-CG 3.96Å; L881-L906 HydrophobicContact CB-CD1 3.82Å; L881-C908 PolarHBondContact N-O 2.98Å; L881-L909 HydrophobicContact CB-CD1 4.36Å; L881-L909 HydrophobicContact CD2-CD1 4.37Å; L881-L909 HydrophobicContact CG-CD1 4.37Å; L881-L909 WeakPolarHBondContact O-CA 3.36Å; L881-N910 PolarHBondContact O-N 2.62Å
882	H	98.6	Very high	97.5	Very high	40 Å²	40	36.7 Å²	36.7	19%	0.185	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.1	179.4	-59.8	-115.7	0	0	0	111.2	L853 I854 L855 S856 S880 N910	L853-H882 PolarHBondContact O-N 2.97Å; I854-H882 HydrophobicContact CB-CB 4.38Å; I854-H882 HydrophobicContact CG1-CB 4.35Å; I854-H882 HydrophobicContact CG2-CB 4.03Å; L855-H882 CarbonylContact C-O 3.26Å; L855-H882 WeakPolarHBondContact CA-O 3.33Å; L855-H882 PolarHBondContact N-O 3.21Å; S856-H882 PolarHBondContact N-O 3.42Å; S856-H882 WeakPolarHBondContact OG-CB 3.37Å; S880-H882 PolarHBondContact OG-CD2 2.87Å; S880-H882 PolarHBondContact OG-NE2 3.03Å; H882-N910 HydrophobicContact CB-CB 4.33Å
883	L	98.3	Very high	97.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.			trans	-127.9	25.6	-175.9	-63.9	175.7	0	0	0	111.9	L855 L860 L868 L881 N886 I888 L896 N910 L911 N914	L855-L883 HydrophobicContact CB-CD2 4.03Å; L855-L883 HydrophobicContact CD1-CD2 4.38Å; L860-L883 HydrophobicContact CD2-CD2 3.84Å; L868-L883 HydrophobicContact CD1-CD2 3.82Å; L881-L883 HydrophobicContact CD1-CD2 4.13Å; L881-L883 HydrophobicContact CD1-CG 4.18Å; L881-L883 HydrophobicContact CD2-CD1 3.95Å; L881-L883 HydrophobicContact CD2-CG 4.34Å; L881-L883 HydrophobicContact CG-CD1 4.12Å; L881-L883 HydrophobicContact CG-CD2 4.44Å; L881-L883 HydrophobicContact CG-CG 3.96Å; L883-N886 PolarHBondContact O-ND2 2.9Å; L883-I888 HydrophobicContact CB-CD1 3.87Å; L883-I888 HydrophobicContact CD1-CD1 4.14Å; L883-L896 HydrophobicContact CD1-CD2 4.48Å; L883-N910 CarbonylContact C-O 3.48Å; L883-N910 WeakPolarHBondContact CA-O 3.47Å; L883-N910 PolarHBondContact N-O 3.38Å; L883-L911 HydrophobicContact CB-CD2 4.09Å; L883-L911 HydrophobicContact CD1-CD2 4.2Å; L883-N914 PolarHBondContact O-ND2 3.34Å
884	Q	97.9	Very high	97.5	Very high	40 Å²	40	36.2 Å²	36.2	19%	0.187	20%	0.197	C	C	.	.			trans	-56.2	143.1	178	169.6	176.2	-6.8	0	0	110.6	S856 S857 N886 R912 E913	S856-Q884 CarbonylContact C-O 3.28Å; S856-Q884 VanDerWaalsContact CA-O 3.23Å; S856-Q884 WeakPolarHBondContact CA-O 3.22Å; S857-Q884 PolarHBondContact N-O 2.7Å; Q884-N886 PolarHBondContact O-N 3.37Å; Q884-N886 PolarHBondContact O-ND2 3.17Å; Q884-R912 CarbonylContact C-O 3.49Å; Q884-R912 WeakPolarHBondContact CA-O 3.33Å; Q884-R912 HydrophobicContact CB-CB 4.16Å; Q884-R912 HydrophobicContact CG-CB 3.88Å; Q884-R912 HydrophobicContact CG-CG 4.04Å; Q884-R912 WeakPolarHBondContact CG-O 3.28Å; Q884-E913 HydrophobicContact CG-CB 4.29Å; Q884-E913 VanDerWaalsContact NE2-CD 3.33Å; Q884-E913 PolarHBondContact NE2-OE1 2.86Å; Q884-E913 PolarHBondContact NE2-OE2 2.78Å
885	S	97.6	Very high	97.6	Very high	45 Å²	45	34.5 Å²	34.5	32%	0.315	19%	0.19	S	C	.	.	S	Bend	trans	52.8	58.1	171.2	-162.8	0	0	0	0	113.4	S857 N858 R912 E913	S857-S885 VanDerWaalsContact CA-O 3.22Å; S857-S885 WeakPolarHBondContact CA-O 3.23Å; S857-S885 PolarHBondContact N-O 2.98Å; N858-S885 PolarHBondContact N-O 3.22Å; S885-R912 PolarHBondContact N-O 3.46Å; S885-E913 WeakPolarHBondContact CA-O 3.18Å; S885-E913 PolarHBondContact N-O 3.11Å
886	N	97.9	Very high	97.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-125	12.3	-178.4	-91.9	-73.5	0	0	0	113.7	L855 N858 L860 G861 L883 Q884 I888 N914	L855-N886 PolarHBondContact O-ND2 2.96Å; N858-N886 WeakPolarHBondContact CA-OD1 3.17Å; N858-N886 VanDerWaalsContact CB-OD1 3.31Å; N858-N886 WeakPolarHBondContact CB-OD1 3.16Å; N858-N886 PolarHBondContact N-OD1 2.95Å; N858-N886 PolarHBondContact O-OD1 2.78Å; L860-N886 HydrophobicContact CB-CB 4.21Å; L860-N886 WeakPolarHBondContact CB-OD1 3.21Å; L860-N886 WeakPolarHBondContact CD1-OD1 3.45Å; L860-N886 PolarHBondContact N-OD1 3.41Å; G861-N886 WeakPolarHBondContact CA-O 3.47Å; G861-N886 PolarHBondContact N-O 2.95Å; L883-N886 PolarHBondContact O-ND2 2.9Å; Q884-N886 PolarHBondContact O-N 3.37Å; Q884-N886 PolarHBondContact O-ND2 3.17Å; N886-I888 VanDerWaalsContact C-N 3.26Å; N886-I888 HydrophobicContact CB-CD1 4.07Å; N886-I888 HydrophobicContact CB-CG1 3.9Å; N886-I888 PolarHBondContact O-N 3.46Å; N886-N914 PolarHBondContact N-OD1 3.02Å
887	S	96.9	Very high	97.7	Very high	83 Å²	83	30.7 Å²	30.7	58%	0.58	17%	0.172	S	C	*	.			trans	55.7	38.5	-177.4	-53.7	0	0	0	0	113.3	N914	S887-N914 PolarHBondContact N-OD1 3.43Å; S887-N914 VanDerWaalsContact N-OD1 3.17Å
888	I	97.6	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.			trans	-78.1	125	178.4	-55	177.2	0	0	0	109	T865 L883 N886 M893 L911 N914 S915 I916	T865-I888 HydrophobicContact CG2-CD1 4.21Å; T865-I888 HydrophobicContact CG2-CG2 4.13Å; T865-I888 WeakPolarHBondContact OG1-CD1 3.18Å; T865-I888 WeakPolarHBondContact OG1-CG1 3.5Å; L883-I888 HydrophobicContact CB-CD1 3.87Å; L883-I888 HydrophobicContact CD1-CD1 4.14Å; N886-I888 VanDerWaalsContact C-N 3.26Å; N886-I888 HydrophobicContact CB-CD1 4.07Å; N886-I888 HydrophobicContact CB-CG1 3.9Å; N886-I888 PolarHBondContact O-N 3.46Å; I888-M893 HydrophobicContact CG2-CG 4.3Å; I888-L911 HydrophobicContact CD1-CD2 3.94Å; I888-N914 HydrophobicContact CB-CB 4.1Å; I888-N914 WeakPolarHBondContact CB-OD1 3.49Å; I888-N914 WeakPolarHBondContact CG1-OD1 3.39Å; I888-N914 PolarHBondContact N-OD1 3.45Å; I888-S915 CarbonylContact O-C 3.58Å; I888-S915 VanDerWaalsContact O-C 3.23Å; I888-S915 WeakPolarHBondContact O-CA 3.24Å; I888-S915 PolarHBondContact O-N 3.43Å; I888-I916 PolarHBondContact O-N 3.16Å
889	S	97.2	Very high	97.7	Very high	32 Å²	32	36.4 Å²	36.4	22%	0.224	20%	0.195	C	C	.	.			trans	-101.7	-174.1	177.1	90.9	0	0	0	0	111.8	D862 K891 G892 M893	D862-S889 WeakPolarHBondContact OD1-CA 3.24Å; D862-S889 WeakPolarHBondContact OD1-CB 3.47Å; D862-S889 PolarHBondContact OD1-N 2.81Å; D862-S889 PolarHBondContact OD1-OG 3.31Å; D862-S889 VanDerWaalsContact OD1-OG 3.06Å; D862-S889 PolarHBondContact OD2-OG 3.18Å; S889-K891 PolarHBondContact O-N 3.26Å; S889-K891 PolarHBondContact OG-N 2.94Å; S889-G892 PolarHBondContact O-N 2.96Å; S889-M893 PolarHBondContact O-N 3.1Å; S889-M893 VanDerWaalsContact O-N 3.09Å
890	N	97.5	Very high	97.6	Very high	52 Å²	52	32.8 Å²	32.8	28%	0.278	18%	0.178	S	C	.	.	H	α-helix	trans	-52.4	-36.2	171.6	-66.6	-25.5	0	0	0	112.6	M893 T894 G917 G920	N890-M893 WeakPolarHBondContact O-CB 3.41Å; N890-M893 PolarHBondContact O-N 3.41Å; N890-T894 PolarHBondContact O-N 3.08Å; N890-T894 PolarHBondContact O-OG1 3.19Å; N890-G917 VanDerWaalsContact OD1-CA 3.26Å; N890-G917 WeakPolarHBondContact OD1-CA 3.28Å; N890-G917 PolarHBondContact OD1-N 3.41Å; N890-G917 PolarHBondContact OD1-O 2.97Å; N890-G920 WeakPolarHBondContact OD1-CA 3.47Å; N890-G920 PolarHBondContact OD1-N 3.14Å
891	K	96.5	Very high	97.5	Very high	162 Å²	162	34.6 Å²	34.6	70%	0.704	18%	0.183	S	C	*	.	H	α-helix	trans	-66.6	-44.5	-178.6	-65.9	179.1	180	176.1	0	111.9	D862 S889 M893 T894 A895	D862-K891 HydrophobicContact CB-CB 4.24Å; S889-K891 PolarHBondContact O-N 3.26Å; S889-K891 PolarHBondContact OG-N 2.94Å; K891-M893 VanDerWaalsContact C-N 3.3Å; K891-T894 PolarHBondContact O-N 3.25Å; K891-A895 PolarHBondContact O-N 3.26Å
892	G	96.9	Very high	97.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-40.2	174.2	0	0	0	0	0	111.6	D862 S889 A895 L896	D862-G892 WeakPolarHBondContact OD1-CA 3.18Å; D862-G892 PolarHBondContact OD1-N 3.16Å; S889-G892 PolarHBondContact O-N 2.96Å; G892-A895 PolarHBondContact O-N 3.27Å; G892-L896 PolarHBondContact O-N 2.8Å
893	M	97.6	Very high	97.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-40.6	175	-75.5	-63.4	-69	0	0	113.5	I888 S889 N890 K891 A895 L896 T897 L911 I916 M924	I888-M893 HydrophobicContact CG2-CG 4.3Å; S889-M893 PolarHBondContact O-N 3.1Å; S889-M893 VanDerWaalsContact O-N 3.09Å; N890-M893 WeakPolarHBondContact O-CB 3.41Å; N890-M893 PolarHBondContact O-N 3.41Å; K891-M893 VanDerWaalsContact C-N 3.3Å; M893-A895 PolarHBondContact O-N 3.42Å; M893-L896 PolarHBondContact O-N 3.41Å; M893-L896 HydrophobicContact SD-CD2 4.36Å; M893-T897 HydrophobicContact CE-CG2 4.09Å; M893-T897 WeakPolarHBondContact O-CB 3.34Å; M893-T897 WeakPolarHBondContact O-CG2 3.24Å; M893-T897 PolarHBondContact O-N 2.83Å; M893-T897 PolarHBondContact O-OG1 3.22Å; M893-L911 HydrophobicContact CE-CD1 4.01Å; M893-L911 HydrophobicContact SD-CD1 3.69Å; M893-L911 HydrophobicContact SD-CD2 4.33Å; M893-I916 HydrophobicContact CE-CD1 4.19Å; M893-I916 HydrophobicContact CE-CG2 4.36Å; M893-I916 HydrophobicContact CG-CB 4.3Å; M893-I916 HydrophobicContact CG-CD1 3.77Å; M893-I916 HydrophobicContact CG-CG1 3.62Å; M893-I916 HydrophobicContact CG-CG2 3.77Å; M893-I916 HydrophobicContact SD-CD1 3.55Å; M893-I916 VanDerWaalsContact SD-CD1 3.55Å; M893-I916 HydrophobicContact SD-CG1 4.12Å; M893-M924 HydrophobicContact CE-CB 3.97Å; M893-M924 HydrophobicContact CE-CE 3.55Å
894	T	97.9	Very high	97	Very high	49 Å²	49	44.2 Å²	44.2	30%	0.301	23%	0.225	S	C	.	.	H	α-helix	trans	-58.1	-38.9	174.9	-56.9	0	0	0	0	111.6	N890 K891 T897 K898 D923	N890-T894 PolarHBondContact O-N 3.08Å; N890-T894 PolarHBondContact O-OG1 3.19Å; K891-T894 PolarHBondContact O-N 3.25Å; T894-T897 PolarHBondContact O-OG1 2.99Å; T894-K898 VanDerWaalsContact O-CG 3.26Å; T894-K898 WeakPolarHBondContact O-CG 3.45Å; T894-K898 PolarHBondContact O-N 3.16Å; T894-D923 VanDerWaalsContact CA-OD2 3.28Å; T894-D923 WeakPolarHBondContact CA-OD2 3.31Å; T894-D923 VanDerWaalsContact CB-OD2 3.32Å; T894-D923 WeakPolarHBondContact CB-OD2 3.26Å; T894-D923 PolarHBondContact OG1-OD2 3.34Å
895	A	97.8	Very high	96.9	Very high	27 Å²	27	42.7 Å²	42.7	22%	0.223	22%	0.22	C	C	.	.	H	α-helix	trans	-69.6	-49.1	176.4	0	0	0	0	0	111.7	A866 A869 K891 G892 M893 T897 K898 A899	A866-A895 HydrophobicContact CB-CB 3.81Å; A869-A895 VanDerWaalsContact CB-C 3.5Å; A869-A895 HydrophobicContact CB-CB 4.04Å; A869-A895 WeakPolarHBondContact CB-O 3.23Å; K891-A895 PolarHBondContact O-N 3.26Å; G892-A895 PolarHBondContact O-N 3.27Å; M893-A895 PolarHBondContact O-N 3.42Å; A895-T897 PolarHBondContact O-N 3.01Å; A895-K898 PolarHBondContact O-N 3.36Å; A895-A899 PolarHBondContact O-N 3.41Å
896	L	97.9	Very high	96.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.8	-45.4	-177.7	-172.1	61	0	0	0	112.1	T865 A869 L872 L883 G892 M893 K898 A899 L900 L909 L911	T865-L896 HydrophobicContact CG2-CB 4.24Å; T865-L896 HydrophobicContact CG2-CD2 4.5Å; A869-L896 HydrophobicContact CB-CB 4.47Å; A869-L896 HydrophobicContact CB-CD1 4.37Å; L872-L896 HydrophobicContact CD1-CD1 3.71Å; L883-L896 HydrophobicContact CD1-CD2 4.48Å; G892-L896 PolarHBondContact O-N 2.8Å; M893-L896 PolarHBondContact O-N 3.41Å; M893-L896 HydrophobicContact SD-CD2 4.36Å; L896-K898 PolarHBondContact O-N 3.14Å; L896-A899 WeakPolarHBondContact O-CB 3.45Å; L896-A899 PolarHBondContact O-N 3.08Å; L896-A899 VanDerWaalsContact O-N 3.08Å; L896-L900 HydrophobicContact CG-CD1 4.26Å; L896-L900 WeakPolarHBondContact O-CG 3.12Å; L896-L900 PolarHBondContact O-N 2.99Å; L896-L909 HydrophobicContact CD2-CD1 4.3Å; L896-L909 HydrophobicContact CD2-CD2 4.02Å; L896-L911 HydrophobicContact CD2-CD1 4.11Å; L896-L911 HydrophobicContact CD2-CD2 3.97Å
897	T	97.4	Very high	96.9	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-68	-32.8	-178.5	56.2	0	0	0	0	112.9	M893 T894 A895 A899 L900 R901 D923 M924 A927	M893-T897 HydrophobicContact CE-CG2 4.09Å; M893-T897 WeakPolarHBondContact O-CB 3.34Å; M893-T897 WeakPolarHBondContact O-CG2 3.24Å; M893-T897 PolarHBondContact O-N 2.83Å; M893-T897 PolarHBondContact O-OG1 3.22Å; T894-T897 PolarHBondContact O-OG1 2.99Å; A895-T897 PolarHBondContact O-N 3.01Å; T897-A899 VanDerWaalsContact C-N 3.3Å; T897-A899 PolarHBondContact O-N 3.04Å; T897-L900 PolarHBondContact O-N 3.43Å; T897-R901 WeakPolarHBondContact O-CG 3.49Å; T897-R901 PolarHBondContact O-N 3.05Å; T897-D923 HydrophobicContact CG2-CB 4.09Å; T897-M924 HydrophobicContact CG2-CB 4.12Å; T897-M924 HydrophobicContact CG2-CE 4.15Å; T897-M924 HydrophobicContact CG2-SD 4.39Å; T897-A927 HydrophobicContact CG2-CB 4.28Å; T897-A927 WeakPolarHBondContact O-CB 3.49Å
898	K	96.8	Very high	97	Very high	135 Å²	135	40.7 Å²	40.7	59%	0.587	20%	0.201	S	C	*	.	H	α-helix	trans	-60.5	-41.2	169.2	-77.1	174.7	-178.7	-178	0	111.6	T894 A895 L896	T894-K898 VanDerWaalsContact O-CG 3.26Å; T894-K898 WeakPolarHBondContact O-CG 3.45Å; T894-K898 PolarHBondContact O-N 3.16Å; A895-K898 PolarHBondContact O-N 3.36Å; L896-K898 PolarHBondContact O-N 3.14Å
899	A	97.6	Very high	97.1	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.017	20%	0.201	C	C	.	.	H	α-helix	trans	-70	-40.6	177.9	0	0	0	0	0	112.7	A869 L872 T873 A895 L896 T897 R901 L902 N903	A869-A899 HydrophobicContact CB-CB 4.08Å; A869-A899 WeakPolarHBondContact O-CB 3.47Å; L872-A899 HydrophobicContact CB-CB 4.17Å; T873-A899 HydrophobicContact CG2-CB 3.84Å; A895-A899 PolarHBondContact O-N 3.41Å; L896-A899 WeakPolarHBondContact O-CB 3.45Å; L896-A899 PolarHBondContact O-N 3.08Å; L896-A899 VanDerWaalsContact O-N 3.08Å; T897-A899 VanDerWaalsContact C-N 3.3Å; T897-A899 PolarHBondContact O-N 3.04Å; A899-R901 PolarHBondContact O-N 2.9Å; A899-L902 PolarHBondContact O-N 3.14Å; A899-N903 WeakPolarHBondContact O-CB 3.42Å; A899-N903 PolarHBondContact O-N 3.34Å
900	L	97.1	Very high	97.1	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-27.9	179.8	-70.1	173.3	0	0	0	113.6	L896 T897 L902 L906 L909 M924 A927 N931	L896-L900 HydrophobicContact CG-CD1 4.26Å; L896-L900 WeakPolarHBondContact O-CG 3.12Å; L896-L900 PolarHBondContact O-N 2.99Å; T897-L900 PolarHBondContact O-N 3.43Å; L900-L902 PolarHBondContact O-N 2.95Å; L900-L906 HydrophobicContact CD2-CD2 3.68Å; L900-L909 HydrophobicContact CD1-CD2 3.76Å; L900-L909 HydrophobicContact CD2-CD2 4.46Å; L900-M924 HydrophobicContact CD1-CE 3.88Å; L900-M924 HydrophobicContact CD1-SD 4.22Å; L900-A927 HydrophobicContact CB-CB 4.29Å; L900-N931 PolarHBondContact O-ND2 2.98Å
901	R	95.6	Very high	97.2	Very high	56 Å²	56	37.7 Å²	37.7	21%	0.211	18%	0.182	C	C	.	.	H	α-helix	trans	-63.3	-32.5	174	-68.5	174.1	-159	-160.3	9.1	112.9	T897 A899 R904 A927 E930	T897-R901 WeakPolarHBondContact O-CG 3.49Å; T897-R901 PolarHBondContact O-N 3.05Å; A899-R901 PolarHBondContact O-N 2.9Å; R901-R904 PolarHBondContact O-NH2 2.79Å; R901-A927 HydrophobicContact CG-CB 4.07Å; R901-E930 WeakPolarHBondContact CB-OE2 3.39Å; R901-E930 VanDerWaalsContact CD-OE2 3.31Å; R901-E930 WeakPolarHBondContact CD-OE2 3.16Å; R901-E930 HydrophobicContact CG-CB 4.32Å; R901-E930 WeakPolarHBondContact CG-OE2 3.28Å; R901-E930 IonicContact NH1-OE1 3.99Å
902	L	94.7	Very high	97.2	Very high	111 Å²	111	33 Å²	33	58%	0.581	16%	0.16	S	C	*	.	H	α-helix	trans	-93.2	-31.4	-179.7	-58.4	178.3	0	0	0	112.1	T873 A899 L900	T873-L902 HydrophobicContact CG2-CD1 4.45Å; A899-L902 PolarHBondContact O-N 3.14Å; L900-L902 PolarHBondContact O-N 2.95Å
903	N	96.3	Very high	97.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.176	C	C	.	.			trans	-70.4	133.7	-175.8	-169.3	-84.1	0	0	0	112.1	L872 N875 H876 A899 G905 L906 N931	L872-N903 PolarHBondContact O-ND2 2.91Å; N875-N903 PolarHBondContact O-ND2 2.84Å; H876-N903 PolarHBondContact ND1-ND2 3.2Å; A899-N903 WeakPolarHBondContact O-CB 3.42Å; A899-N903 PolarHBondContact O-N 3.34Å; N903-G905 PolarHBondContact OD1-N 2.77Å; N903-L906 WeakPolarHBondContact OD1-CB 3.19Å; N903-L906 PolarHBondContact OD1-N 3.32Å; N903-N931 PolarHBondContact O-ND2 2.71Å; N903-N931 VanDerWaalsContact O-ND2 3.08Å
904	R	94.4	Very high	97.3	Very high	132 Å²	132	37 Å²	37	50%	0.498	18%	0.179	S	C	.	.	S	Bend	trans	-118.3	1.4	177.8	-56.8	-61.9	179.3	-167.6	-12.9	114.1	R901 E930 S932 S933	R901-R904 PolarHBondContact O-NH2 2.79Å; R904-E930 PolarHBondContact NH1-O 2.84Å; R904-S932 PolarHBondContact NH1-OG 3.12Å; R904-S933 VanDerWaalsContact C-CB 3.5Å; R904-S933 VanDerWaalsContact O-CB 3.23Å; R904-S933 WeakPolarHBondContact O-CB 3.42Å
905	G	95.5	Very high	97.2	Very high	8 Å²	8	37.8 Å²	37.8	8%	0.082	19%	0.186	C	C	.	.	S	Bend	trans	-101	-32.1	-176.1	0	0	0	0	0	114.3	H876 L878 H879 N903 I907	H876-G905 WeakPolarHBondContact O-CA 3.31Å; L878-G905 CarbonylContact O-C 3.41Å; H879-G905 PolarHBondContact CD2-O 2.97Å; H879-G905 VanDerWaalsContact CD2-O 3.29Å; N903-G905 PolarHBondContact OD1-N 2.77Å; G905-I907 PolarHBondContact O-N 2.96Å
906	L	98	Very high	97.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.176	C	C	.	.			trans	-73.5	124	-173.9	-163.5	74	0	0	0	110.8	L878 L881 L900 N903 L909 S933 L934	L878-L906 HydrophobicContact CG-CD1 4.47Å; L878-L906 WeakPolarHBondContact O-CA 3.43Å; L881-L906 HydrophobicContact CB-CD1 3.82Å; L900-L906 HydrophobicContact CD2-CD2 3.68Å; N903-L906 WeakPolarHBondContact OD1-CB 3.19Å; N903-L906 PolarHBondContact OD1-N 3.32Å; L906-L909 HydrophobicContact CD2-CB 4.17Å; L906-L909 HydrophobicContact CD2-CD1 4.39Å; L906-S933 CarbonylContact O-C 3.59Å; L906-S933 VanDerWaalsContact O-C 3.3Å; L906-S933 WeakPolarHBondContact O-CB 3.41Å; L906-S933 PolarHBondContact O-OG 2.81Å; L906-L934 HydrophobicContact CD2-CD1 4.37Å; L906-L934 HydrophobicContact CG-CD1 4.38Å; L906-L934 WeakPolarHBondContact O-CA 3.47Å; L906-L934 PolarHBondContact O-N 3Å
907	I	98.4	Very high	97.1	Very high	56 Å²	56	37 Å²	37	29%	0.287	18%	0.18	S	C	.	.			trans	-106.3	-38.6	-177.6	-63.3	176.1	0	0	0	110.7	H879 G905 L934 R935 H936	H879-I907 HydrophobicContact CB-CD1 4.36Å; H879-I907 PolarHBondContact O-N 3.1Å; G905-I907 PolarHBondContact O-N 2.96Å; I907-L934 WeakPolarHBondContact O-CD1 3.35Å; I907-R935 HydrophobicContact CG2-CB 3.95Å; I907-R935 HydrophobicContact CG2-CG 4Å; I907-R935 PolarHBondContact O-N 3.38Å; I907-H936 PolarHBondContact O-N 3.22Å
908	C	98.7	Very high	97.2	Very high	30 Å²	30	38.6 Å²	38.6	20%	0.203	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.2	-176.7	-177.3	0	0	0	0	110.9	H879 L881 H936	H879-C908 PolarHBondContact O-N 2.95Å; L881-C908 PolarHBondContact N-O 2.98Å; C908-H936 HydrophobicContact CB-CB 4.36Å
909	L	98.6	Very high	97.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	115.3	174.9	179.5	58.8	0	0	0	110.1	L881 L896 L900 L906 L911 M924 L934 H936 L937 D938	L881-L909 HydrophobicContact CB-CD1 4.36Å; L881-L909 HydrophobicContact CD2-CD1 4.37Å; L881-L909 HydrophobicContact CG-CD1 4.37Å; L881-L909 WeakPolarHBondContact O-CA 3.36Å; L896-L909 HydrophobicContact CD2-CD1 4.3Å; L896-L909 HydrophobicContact CD2-CD2 4.02Å; L900-L909 HydrophobicContact CD1-CD2 3.76Å; L900-L909 HydrophobicContact CD2-CD2 4.46Å; L906-L909 HydrophobicContact CD2-CB 4.17Å; L906-L909 HydrophobicContact CD2-CD1 4.39Å; L909-L911 HydrophobicContact CD1-CD1 4.44Å; L909-L911 HydrophobicContact CD1-CD2 4.49Å; L909-L911 HydrophobicContact CD1-CG 4.14Å; L909-L911 HydrophobicContact CD2-CD1 3.79Å; L909-L911 HydrophobicContact CD2-CG 4.37Å; L909-L911 HydrophobicContact CG-CD1 3.93Å; L909-L911 HydrophobicContact CG-CG 3.99Å; L909-M924 HydrophobicContact CD2-CE 4.04Å; L909-L934 HydrophobicContact CB-CD1 3.74Å; L909-L934 HydrophobicContact CB-CD2 4.48Å; L909-H936 PolarHBondContact N-O 3.29Å; L909-L937 HydrophobicContact CB-CD1 4.39Å; L909-L937 HydrophobicContact CD2-CD1 4.29Å; L909-L937 HydrophobicContact CG-CD1 4.38Å; L909-D938 PolarHBondContact O-N 3.31Å
910	N	98.6	Very high	97.2	Very high	20 Å²	20	36.8 Å²	36.8	11%	0.107	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.6	174.6	178.7	-6.6	0	0	0	110.5	L881 H882 L883 R912 D938	L881-N910 PolarHBondContact O-N 2.62Å; H882-N910 HydrophobicContact CB-CB 4.33Å; L883-N910 CarbonylContact C-O 3.48Å; L883-N910 WeakPolarHBondContact CA-O 3.47Å; L883-N910 PolarHBondContact N-O 3.38Å; N910-R912 VanDerWaalsContact OD1-CB 3.23Å; N910-R912 WeakPolarHBondContact OD1-CB 3.49Å; N910-R912 PolarHBondContact OD1-N 3.2Å; N910-D938 HydrophobicContact CB-CB 4.42Å
911	L	98.3	Very high	97.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.183	C	C	.	.			trans	-122.7	22.2	179.5	-72	164.9	0	0	0	112.2	L883 I888 M893 L896 L909 N914 I916 M924 L937 D938 L939 N942	L883-L911 HydrophobicContact CB-CD2 4.09Å; L883-L911 HydrophobicContact CD1-CD2 4.2Å; I888-L911 HydrophobicContact CD1-CD2 3.94Å; M893-L911 HydrophobicContact CE-CD1 4.01Å; M893-L911 HydrophobicContact SD-CD1 3.69Å; M893-L911 HydrophobicContact SD-CD2 4.33Å; L896-L911 HydrophobicContact CD2-CD1 4.11Å; L896-L911 HydrophobicContact CD2-CD2 3.97Å; L909-L911 HydrophobicContact CD1-CD1 4.44Å; L909-L911 HydrophobicContact CD1-CD2 4.49Å; L909-L911 HydrophobicContact CD1-CG 4.14Å; L909-L911 HydrophobicContact CD2-CD1 3.79Å; L909-L911 HydrophobicContact CD2-CG 4.37Å; L909-L911 HydrophobicContact CG-CD1 3.93Å; L909-L911 HydrophobicContact CG-CG 3.99Å; L911-N914 PolarHBondContact O-ND2 2.86Å; L911-I916 HydrophobicContact CB-CD1 3.97Å; L911-I916 HydrophobicContact CD1-CD1 4.31Å; L911-I916 HydrophobicContact CD2-CD1 4.48Å; L911-M924 HydrophobicContact CD1-CE 3.98Å; L911-L937 HydrophobicContact CD1-CD1 4.47Å; L911-D938 CarbonylContact C-O 3.43Å; L911-D938 WeakPolarHBondContact CA-O 3.34Å; L911-D938 PolarHBondContact N-O 3.11Å; L911-L939 HydrophobicContact CB-CD2 4.03Å; L911-L939 HydrophobicContact CD1-CD2 3.99Å; L911-N942 PolarHBondContact O-ND2 3.45Å; L911-N942 VanDerWaalsContact O-ND2 3.1Å
912	R	97.8	Very high	97.4	Very high	64 Å²	64	37.6 Å²	37.6	24%	0.242	19%	0.189	C	C	.	.			trans	-55.7	149.9	-178.8	173	173.5	170.9	118.7	8.1	112.4	Q884 S885 N910 N914 T940	Q884-R912 CarbonylContact C-O 3.49Å; Q884-R912 WeakPolarHBondContact CA-O 3.33Å; Q884-R912 HydrophobicContact CB-CB 4.16Å; Q884-R912 HydrophobicContact CG-CB 3.88Å; Q884-R912 HydrophobicContact CG-CG 4.04Å; Q884-R912 WeakPolarHBondContact CG-O 3.28Å; S885-R912 PolarHBondContact N-O 3.46Å; N910-R912 VanDerWaalsContact OD1-CB 3.23Å; N910-R912 WeakPolarHBondContact OD1-CB 3.49Å; N910-R912 PolarHBondContact OD1-N 3.2Å; R912-N914 PolarHBondContact O-N 2.91Å; R912-N914 PolarHBondContact O-ND2 3.47Å; R912-N914 VanDerWaalsContact O-ND2 3.17Å; R912-T940 CarbonylContact C-O 3.6Å; R912-T940 WeakPolarHBondContact CA-O 3.24Å; R912-T940 HydrophobicContact CG-CG2 4.31Å
913	E	97.3	Very high	97.5	Very high	73 Å²	73	32.8 Å²	32.8	34%	0.341	16%	0.164	S	C	.	.	S	Bend	trans	54.8	46.9	172.1	-70.6	162.5	-157.9	0	0	113.2	Q884 S885 T940 A941	Q884-E913 HydrophobicContact CG-CB 4.29Å; Q884-E913 VanDerWaalsContact NE2-CD 3.33Å; Q884-E913 PolarHBondContact NE2-OE1 2.86Å; Q884-E913 PolarHBondContact NE2-OE2 2.78Å; S885-E913 WeakPolarHBondContact CA-O 3.18Å; S885-E913 PolarHBondContact N-O 3.11Å; E913-T940 PolarHBondContact N-O 3.32Å; E913-A941 VanDerWaalsContact CA-O 3.23Å; E913-A941 WeakPolarHBondContact CA-O 3.35Å; E913-A941 HydrophobicContact CG-CB 3.69Å; E913-A941 PolarHBondContact N-O 3.48Å
914	N	97.9	Very high	97.6	Very high	11 Å²	11	32.8 Å²	32.8	6%	0.059	16%	0.164	C	C	.	.	S	Bend	trans	-114.1	-177.5	173.6	-80	-69.5	0	0	0	110.4	L883 N886 S887 I888 L911 R912 I916 N942	L883-N914 PolarHBondContact O-ND2 3.34Å; N886-N914 PolarHBondContact N-OD1 3.02Å; S887-N914 PolarHBondContact N-OD1 3.43Å; S887-N914 VanDerWaalsContact N-OD1 3.17Å; I888-N914 HydrophobicContact CB-CB 4.1Å; I888-N914 WeakPolarHBondContact CB-OD1 3.49Å; I888-N914 WeakPolarHBondContact CG1-OD1 3.39Å; I888-N914 PolarHBondContact N-OD1 3.45Å; L911-N914 PolarHBondContact O-ND2 2.86Å; R912-N914 PolarHBondContact O-N 2.91Å; R912-N914 PolarHBondContact O-ND2 3.47Å; R912-N914 VanDerWaalsContact O-ND2 3.17Å; N914-I916 VanDerWaalsContact C-N 3.34Å; N914-I916 HydrophobicContact CB-CD1 4.13Å; N914-I916 HydrophobicContact CB-CG1 3.99Å; N914-N942 WeakPolarHBondContact CA-OD1 3.44Å; N914-N942 WeakPolarHBondContact CB-OD1 3.41Å; N914-N942 PolarHBondContact N-OD1 2.83Å; N914-N942 PolarHBondContact O-OD1 3.25Å
915	S	96.2	Very high	97.8	Very high	65 Å²	65	26.7 Å²	26.7	46%	0.455	14%	0.142	S	C	.	.			trans	-101.8	38.5	179.3	-53.7	0	0	0	0	111.2	I888 G917	I888-S915 CarbonylContact O-C 3.58Å; I888-S915 VanDerWaalsContact O-C 3.23Å; I888-S915 WeakPolarHBondContact O-CA 3.24Å; I888-S915 PolarHBondContact O-N 3.43Å; S915-G917 PolarHBondContact O-N 3.3Å
916	I	97.6	Very high	97.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.			trans	-77.5	119.1	-177.8	-55.9	168.4	0	0	0	108.9	I888 M893 L911 N914 L939 N942 L943 L944	I888-I916 PolarHBondContact O-N 3.16Å; M893-I916 HydrophobicContact CE-CD1 4.19Å; M893-I916 HydrophobicContact CE-CG2 4.36Å; M893-I916 HydrophobicContact CG-CB 4.3Å; M893-I916 HydrophobicContact CG-CD1 3.77Å; M893-I916 HydrophobicContact CG-CG1 3.62Å; M893-I916 HydrophobicContact CG-CG2 3.77Å; M893-I916 HydrophobicContact SD-CD1 3.55Å; M893-I916 VanDerWaalsContact SD-CD1 3.55Å; M893-I916 HydrophobicContact SD-CG1 4.12Å; L911-I916 HydrophobicContact CB-CD1 3.97Å; L911-I916 HydrophobicContact CD1-CD1 4.31Å; L911-I916 HydrophobicContact CD2-CD1 4.48Å; N914-I916 VanDerWaalsContact C-N 3.34Å; N914-I916 HydrophobicContact CB-CD1 4.13Å; N914-I916 HydrophobicContact CB-CG1 3.99Å; I916-L939 HydrophobicContact CD1-CD2 4.05Å; I916-N942 HydrophobicContact CB-CB 4.19Å; I916-N942 VanDerWaalsContact CB-OD1 3.26Å; I916-N942 WeakPolarHBondContact CB-OD1 3.33Å; I916-N942 VanDerWaalsContact CG1-OD1 3.31Å; I916-N942 WeakPolarHBondContact CG1-OD1 3.4Å; I916-N942 PolarHBondContact N-OD1 3.4Å; I916-N942 VanDerWaalsContact N-OD1 3.16Å; I916-L943 CarbonylContact O-C 3.21Å; I916-L943 VanDerWaalsContact O-C 3.31Å; I916-L943 VanDerWaalsContact O-CA 3.31Å; I916-L943 WeakPolarHBondContact O-CA 3.26Å; I916-L943 PolarHBondContact O-N 3.05Å; I916-L944 HydrophobicContact CB-CD2 4.35Å; I916-L944 HydrophobicContact CG2-CD2 3.75Å
917	G	97.1	Very high	97.9	Very high	10 Å²	10	32.4 Å²	32.4	10%	0.103	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-95.9	-171.1	178	0	0	0	0	0	113.7	N890 S915 E919 G920 A921 L943	N890-G917 VanDerWaalsContact OD1-CA 3.26Å; N890-G917 WeakPolarHBondContact OD1-CA 3.28Å; N890-G917 PolarHBondContact OD1-N 3.41Å; N890-G917 PolarHBondContact OD1-O 2.97Å; S915-G917 PolarHBondContact O-N 3.3Å; G917-E919 VanDerWaalsContact C-N 3.33Å; G917-E919 PolarHBondContact O-N 3.49Å; G917-G920 PolarHBondContact O-N 3.03Å; G917-A921 PolarHBondContact O-N 3.42Å; G917-L943 CarbonylContact C-O 3.3Å; G917-L943 VanDerWaalsContact CA-O 3.3Å; G917-L943 WeakPolarHBondContact CA-O 3.09Å
918	V	97.9	Very high	97.8	Very high	35 Å²	35	29.8 Å²	29.8	21%	0.212	15%	0.148	C	C	.	.	H	α-helix	trans	-51.1	-46.5	177.2	176.7	0	0	0	0	112.8	A921 K922 L943 L944 H945 E947	V918-A921 VanDerWaalsContact O-CB 3.28Å; V918-A921 WeakPolarHBondContact O-CB 3.49Å; V918-A921 PolarHBondContact O-N 3.21Å; V918-K922 HydrophobicContact CG1-CD 4.38Å; V918-K922 WeakPolarHBondContact O-CG 3.28Å; V918-K922 PolarHBondContact O-N 2.84Å; V918-L943 PolarHBondContact N-O 2.78Å; V918-L944 VanDerWaalsContact CG2-O 3.29Å; V918-L944 WeakPolarHBondContact CG2-O 3.48Å; V918-H945 HydrophobicContact CG2-CB 4.1Å; V918-E947 HydrophobicContact CG1-CB 3.79Å
919	E	97.8	Very high	97.7	Very high	99 Å²	99	33.5 Å²	33.5	46%	0.463	16%	0.162	S	C	.	.	H	α-helix	trans	-67.9	-38.8	-177.3	-63.6	-54.9	118.9	0	0	112.1	G917 A921 K922 D923	G917-E919 VanDerWaalsContact C-N 3.33Å; G917-E919 PolarHBondContact O-N 3.49Å; E919-A921 VanDerWaalsContact C-N 3.29Å; E919-A921 PolarHBondContact O-N 2.8Å; E919-K922 PolarHBondContact O-N 3.35Å; E919-K922 IonicContact OE1-NZ 2.77Å; E919-K922 PolarHBondContact OE1-NZ 2.97Å; E919-D923 PolarHBondContact O-N 2.64Å
920	G	97.6	Very high	97.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.9	-34.2	172.6	0	0	0	0	0	112.7	N890 G917 D923 M924	N890-G920 WeakPolarHBondContact OD1-CA 3.47Å; N890-G920 PolarHBondContact OD1-N 3.14Å; G917-G920 PolarHBondContact O-N 3.03Å; G920-D923 WeakPolarHBondContact O-CB 3.21Å; G920-D923 PolarHBondContact O-N 3.19Å; G920-M924 PolarHBondContact O-N 3.48Å
921	A	98.1	Very high	97.4	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-65.2	-43.9	173.1	0	0	0	0	0	112.2	G917 V918 E919 D923 M924 A925 L944 G948 I952	G917-A921 PolarHBondContact O-N 3.42Å; V918-A921 VanDerWaalsContact O-CB 3.28Å; V918-A921 WeakPolarHBondContact O-CB 3.49Å; V918-A921 PolarHBondContact O-N 3.21Å; E919-A921 VanDerWaalsContact C-N 3.29Å; E919-A921 PolarHBondContact O-N 2.8Å; A921-D923 VanDerWaalsContact C-N 3.31Å; A921-D923 PolarHBondContact O-N 3.18Å; A921-M924 PolarHBondContact O-N 3.44Å; A921-A925 PolarHBondContact O-N 2.65Å; A921-L944 HydrophobicContact CB-CB 4.27Å; A921-L944 HydrophobicContact CB-CD2 3.53Å; A921-L944 HydrophobicContact CB-CG 4.35Å; A921-G948 VanDerWaalsContact CB-CA 3.4Å; A921-I952 HydrophobicContact CB-CD1 4.22Å
922	K	98.3	Very high	97.2	Very high	74 Å²	74	41.3 Å²	41.3	32%	0.322	21%	0.206	S	C	.	.	H	α-helix	trans	-62.7	-39	174.8	-70.7	173.7	-177.6	167.3	0	111.5	V918 E919 A925 R926 A951	V918-K922 HydrophobicContact CG1-CD 4.38Å; V918-K922 WeakPolarHBondContact O-CG 3.28Å; V918-K922 PolarHBondContact O-N 2.84Å; E919-K922 PolarHBondContact O-N 3.35Å; E919-K922 IonicContact OE1-NZ 2.77Å; E919-K922 PolarHBondContact OE1-NZ 2.97Å; K922-A925 WeakPolarHBondContact O-CB 3.38Å; K922-A925 PolarHBondContact O-N 3.22Å; K922-R926 WeakPolarHBondContact O-CG 3.47Å; K922-R926 PolarHBondContact O-N 3.16Å; K922-A951 HydrophobicContact CB-CB 4.43Å; K922-A951 HydrophobicContact CG-CB 3.87Å
923	D	98.1	Very high	97.2	Very high	10 Å²	10	38.9 Å²	38.9	5%	0.053	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-45	173.6	-80.2	-9.3	0	0	0	112.1	T894 T897 E919 G920 A921 R926 A927	T894-D923 VanDerWaalsContact CA-OD2 3.28Å; T894-D923 WeakPolarHBondContact CA-OD2 3.31Å; T894-D923 VanDerWaalsContact CB-OD2 3.32Å; T894-D923 WeakPolarHBondContact CB-OD2 3.26Å; T894-D923 PolarHBondContact OG1-OD2 3.34Å; T897-D923 HydrophobicContact CG2-CB 4.09Å; E919-D923 PolarHBondContact O-N 2.64Å; G920-D923 WeakPolarHBondContact O-CB 3.21Å; G920-D923 PolarHBondContact O-N 3.19Å; A921-D923 VanDerWaalsContact C-N 3.31Å; A921-D923 PolarHBondContact O-N 3.18Å; D923-R926 PolarHBondContact O-N 3.41Å; D923-R926 IonicContact OD1-CZ 2.78Å; D923-R926 IonicContact OD1-NE 2.64Å; D923-R926 IonicContact OD1-NH2 2.8Å; D923-R926 PolarHBondContact OD1-NH2 3.34Å; D923-A927 PolarHBondContact O-N 3.24Å
924	M	98.2	Very high	97.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-63.2	-43	175.8	180	57.9	75	0	0	111.4	M893 T897 L900 L909 L911 G920 A921 R926 A927 L928 L937 L939	M893-M924 HydrophobicContact CE-CB 3.97Å; M893-M924 HydrophobicContact CE-CE 3.55Å; T897-M924 HydrophobicContact CG2-CB 4.12Å; T897-M924 HydrophobicContact CG2-CE 4.15Å; T897-M924 HydrophobicContact CG2-SD 4.39Å; L900-M924 HydrophobicContact CD1-CE 3.88Å; L900-M924 HydrophobicContact CD1-SD 4.22Å; L909-M924 HydrophobicContact CD2-CE 4.04Å; L911-M924 HydrophobicContact CD1-CE 3.98Å; G920-M924 PolarHBondContact O-N 3.48Å; A921-M924 PolarHBondContact O-N 3.44Å; M924-R926 VanDerWaalsContact C-N 3.33Å; M924-R926 PolarHBondContact O-N 2.96Å; M924-A927 PolarHBondContact O-N 3.17Å; M924-A927 VanDerWaalsContact O-N 3.11Å; M924-L928 HydrophobicContact CG-CD1 4.04Å; M924-L928 HydrophobicContact CG-CG 4.27Å; M924-L928 WeakPolarHBondContact O-CG 3.47Å; M924-L928 PolarHBondContact O-N 3.19Å; M924-L928 HydrophobicContact SD-CD1 4.4Å; M924-L928 HydrophobicContact SD-CD2 4.45Å; M924-L928 HydrophobicContact SD-CG 4.07Å; M924-L937 HydrophobicContact CE-CD1 4.04Å; M924-L937 HydrophobicContact CE-CD2 4.49Å; M924-L937 HydrophobicContact CG-CD2 3.9Å; M924-L937 HydrophobicContact SD-CD1 4.48Å; M924-L937 HydrophobicContact SD-CD2 3.95Å; M924-L939 HydrophobicContact CG-CD1 4.47Å
925	A	98.1	Very high	97.2	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.033	21%	0.205	C	C	.	.	H	α-helix	trans	-56.4	-46	175.4	0	0	0	0	0	112	A921 K922 A927 L928 Q929 A951 I952 A955	A921-A925 PolarHBondContact O-N 2.65Å; K922-A925 WeakPolarHBondContact O-CB 3.38Å; K922-A925 PolarHBondContact O-N 3.22Å; A925-A927 VanDerWaalsContact C-N 3.33Å; A925-A927 PolarHBondContact O-N 2.86Å; A925-L928 PolarHBondContact O-N 2.83Å; A925-Q929 WeakPolarHBondContact O-CG 3.49Å; A925-Q929 PolarHBondContact O-N 3.4Å; A925-Q929 VanDerWaalsContact O-N 3.17Å; A925-A951 HydrophobicContact CB-CB 3.79Å; A925-A951 VanDerWaalsContact CB-O 3.29Å; A925-A951 WeakPolarHBondContact CB-O 3.34Å; A925-I952 HydrophobicContact CB-CG1 4.36Å; A925-A955 HydrophobicContact CB-CB 4.07Å; A925-A955 WeakPolarHBondContact O-CB 3.36Å
926	R	97.4	Very high	97.3	Very high	127 Å²	127	41.9 Å²	41.9	48%	0.479	20%	0.2	S	C	.	.	H	α-helix	trans	-61	-41.8	175.4	-69.6	-171.3	-70	-175.7	-4.8	112	K922 D923 M924 Q929	K922-R926 WeakPolarHBondContact O-CG 3.47Å; K922-R926 PolarHBondContact O-N 3.16Å; D923-R926 PolarHBondContact O-N 3.41Å; D923-R926 IonicContact OD1-CZ 2.78Å; D923-R926 IonicContact OD1-NE 2.64Å; D923-R926 IonicContact OD1-NH2 2.8Å; D923-R926 PolarHBondContact OD1-NH2 3.34Å; M924-R926 VanDerWaalsContact C-N 3.33Å; M924-R926 PolarHBondContact O-N 2.96Å; R926-Q929 PolarHBondContact O-N 3.34Å
927	A	97.6	Very high	97.4	Very high	1 Å²	1	42 Å²	42	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-40.7	177	0	0	0	0	0	112.8	T897 L900 R901 D923 M924 A925 Q929 E930 N931	T897-A927 HydrophobicContact CG2-CB 4.28Å; T897-A927 WeakPolarHBondContact O-CB 3.49Å; L900-A927 HydrophobicContact CB-CB 4.29Å; R901-A927 HydrophobicContact CG-CB 4.07Å; D923-A927 PolarHBondContact O-N 3.24Å; M924-A927 PolarHBondContact O-N 3.17Å; M924-A927 VanDerWaalsContact O-N 3.11Å; A925-A927 VanDerWaalsContact C-N 3.33Å; A925-A927 PolarHBondContact O-N 2.86Å; A927-Q929 PolarHBondContact O-N 3.36Å; A927-E930 PolarHBondContact O-N 2.82Å; A927-E930 VanDerWaalsContact O-N 3.15Å; A927-N931 VanDerWaalsContact O-CB 3.27Å; A927-N931 WeakPolarHBondContact O-CB 3.49Å; A927-N931 PolarHBondContact O-N 3.12Å
928	L	97.6	Very high	97.5	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-26.5	177.3	-71.9	173.2	0	0	0	112.9	M924 A925 E930 L934 L937 I952 A955 N959 L962	M924-L928 HydrophobicContact CG-CD1 4.04Å; M924-L928 HydrophobicContact CG-CG 4.27Å; M924-L928 WeakPolarHBondContact O-CG 3.47Å; M924-L928 PolarHBondContact O-N 3.19Å; M924-L928 HydrophobicContact SD-CD1 4.4Å; M924-L928 HydrophobicContact SD-CD2 4.45Å; M924-L928 HydrophobicContact SD-CG 4.07Å; A925-L928 PolarHBondContact O-N 2.83Å; L928-E930 VanDerWaalsContact C-N 3.26Å; L928-E930 PolarHBondContact O-N 3.27Å; L928-L934 HydrophobicContact CD2-CD2 4.12Å; L928-L937 HydrophobicContact CD1-CD2 3.96Å; L928-L937 HydrophobicContact CD2-CD2 4.36Å; L928-I952 HydrophobicContact CD1-CG2 4.5Å; L928-A955 HydrophobicContact CB-CB 3.89Å; L928-N959 PolarHBondContact O-ND2 3.15Å; L928-L962 HydrophobicContact CD1-CD2 4.4Å; L928-L962 HydrophobicContact CD2-CD2 4.38Å
929	Q	95.9	Very high	97.5	Very high	108 Å²	108	40.5 Å²	40.5	51%	0.505	19%	0.188	S	C	.	.	H	α-helix	trans	-66.7	-29	174.9	-70.7	173.4	-2.9	0	0	112.6	A925 R926 A927 A955 V958	A925-Q929 WeakPolarHBondContact O-CG 3.49Å; A925-Q929 PolarHBondContact O-N 3.4Å; A925-Q929 VanDerWaalsContact O-N 3.17Å; R926-Q929 PolarHBondContact O-N 3.34Å; A927-Q929 PolarHBondContact O-N 3.36Å; Q929-A955 HydrophobicContact CG-CB 3.88Å; Q929-V958 HydrophobicContact CB-CG2 4.46Å; Q929-V958 HydrophobicContact CG-CG2 3.9Å
930	E	95.3	Very high	97.5	Very high	101 Å²	101	35.8 Å²	35.8	47%	0.472	17%	0.167	S	C	.	.	H	α-helix	trans	-104.8	-27	-176.2	-61.5	174.4	-147.8	0	0	113.2	R901 R904 A927 L928	R901-E930 WeakPolarHBondContact CB-OE2 3.39Å; R901-E930 VanDerWaalsContact CD-OE2 3.31Å; R901-E930 WeakPolarHBondContact CD-OE2 3.16Å; R901-E930 HydrophobicContact CG-CB 4.32Å; R901-E930 WeakPolarHBondContact CG-OE2 3.28Å; R901-E930 IonicContact NH1-OE1 3.99Å; R904-E930 PolarHBondContact NH1-O 2.84Å; A927-E930 PolarHBondContact O-N 2.82Å; A927-E930 VanDerWaalsContact O-N 3.15Å; L928-E930 VanDerWaalsContact C-N 3.26Å; L928-E930 PolarHBondContact O-N 3.27Å
931	N	95.9	Very high	97.5	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.032	18%	0.175	C	C	.	.			trans	-77.7	135.7	-178.3	-177.2	-83.7	0	0	0	111.6	L900 N903 A927 S933 L934 N959	L900-N931 PolarHBondContact O-ND2 2.98Å; N903-N931 PolarHBondContact O-ND2 2.71Å; N903-N931 VanDerWaalsContact O-ND2 3.08Å; A927-N931 VanDerWaalsContact O-CB 3.27Å; A927-N931 WeakPolarHBondContact O-CB 3.49Å; A927-N931 PolarHBondContact O-N 3.12Å; N931-S933 PolarHBondContact ND2-OG 3.5Å; N931-S933 PolarHBondContact OD1-N 3.49Å; N931-S933 PolarHBondContact OD1-OG 3.2Å; N931-L934 VanDerWaalsContact OD1-CB 3.24Å; N931-L934 WeakPolarHBondContact OD1-CB 3.33Å; N931-L934 PolarHBondContact OD1-N 3.28Å; N931-N959 PolarHBondContact O-ND2 3.43Å
932	S	94.6	Very high	97.5	Very high	76 Å²	76	36.9 Å²	36.9	53%	0.531	18%	0.175	S	C	.	.			trans	-123.2	4.5	-176.1	62	0	0	0	0	113.7	R904 A961	R904-S932 PolarHBondContact NH1-OG 3.12Å; S932-A961 VanDerWaalsContact C-CB 3.48Å; S932-A961 WeakPolarHBondContact O-CB 3.47Å
933	S	96.5	Very high	97.4	Very high	13 Å²	13	37.2 Å²	37.2	9%	0.091	18%	0.18	C	C	.	.	S	Bend	trans	-107.2	-33.8	-176.1	65.4	0	0	0	0	113	R904 L906 N931 R935	R904-S933 VanDerWaalsContact C-CB 3.5Å; R904-S933 VanDerWaalsContact O-CB 3.23Å; R904-S933 WeakPolarHBondContact O-CB 3.42Å; L906-S933 CarbonylContact O-C 3.59Å; L906-S933 VanDerWaalsContact O-C 3.3Å; L906-S933 WeakPolarHBondContact O-CB 3.41Å; L906-S933 PolarHBondContact O-OG 2.81Å; N931-S933 PolarHBondContact ND2-OG 3.5Å; N931-S933 PolarHBondContact OD1-N 3.49Å; N931-S933 PolarHBondContact OD1-OG 3.2Å; S933-R935 PolarHBondContact O-N 2.88Å
934	L	97.9	Very high	97.4	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.177	C	C	.	.			trans	-72.7	119.7	-173.4	-167.3	73.7	0	0	0	110.4	L906 I907 L909 L928 N931 L937 A961 L962	L906-L934 HydrophobicContact CD2-CD1 4.37Å; L906-L934 HydrophobicContact CG-CD1 4.38Å; L906-L934 WeakPolarHBondContact O-CA 3.47Å; L906-L934 PolarHBondContact O-N 3Å; I907-L934 WeakPolarHBondContact O-CD1 3.35Å; L909-L934 HydrophobicContact CB-CD1 3.74Å; L909-L934 HydrophobicContact CB-CD2 4.48Å; L928-L934 HydrophobicContact CD2-CD2 4.12Å; N931-L934 VanDerWaalsContact OD1-CB 3.24Å; N931-L934 WeakPolarHBondContact OD1-CB 3.33Å; N931-L934 PolarHBondContact OD1-N 3.28Å; L934-L937 HydrophobicContact CD2-CB 4.2Å; L934-L937 HydrophobicContact CD2-CD1 4.34Å; L934-A961 CarbonylContact O-C 3.59Å; L934-L962 WeakPolarHBondContact O-CA 3.34Å; L934-L962 PolarHBondContact O-N 3.25Å
935	R	98.3	Very high	97.3	Very high	138 Å²	138	40.6 Å²	40.6	52%	0.521	20%	0.195	S	C	.	.			trans	-105.5	-34.4	-179.6	-60.7	-173.2	-176	-172.2	-0.7	112.4	I907 S933 L962 T963 T964	I907-R935 HydrophobicContact CG2-CB 3.95Å; I907-R935 HydrophobicContact CG2-CG 4Å; I907-R935 PolarHBondContact O-N 3.38Å; S933-R935 PolarHBondContact O-N 2.88Å; R935-L962 WeakPolarHBondContact O-CD1 3.17Å; R935-T963 PolarHBondContact O-N 3.48Å; R935-T963 PolarHBondContact O-OG1 2.93Å; R935-T964 PolarHBondContact O-N 3.03Å
936	H	98.6	Very high	97.3	Very high	74 Å²	74	41.4 Å²	41.4	34%	0.343	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.1	-176.7	-49.3	-71.4	0	0	0	110.7	I907 C908 L909 T964	I907-H936 PolarHBondContact O-N 3.22Å; C908-H936 HydrophobicContact CB-CB 4.36Å; L909-H936 PolarHBondContact N-O 3.29Å; H936-T964 VanDerWaalsContact ND1-CB 3.28Å; H936-T964 WeakPolarHBondContact ND1-CB 3.48Å; H936-T964 PolarHBondContact ND1-OG1 3.42Å
937	L	98.6	Very high	97.3	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	119.9	176.7	178.4	59.8	0	0	0	110.2	L909 L911 M924 L928 L934 L939 L962 T964 L965 R966	L909-L937 HydrophobicContact CB-CD1 4.39Å; L909-L937 HydrophobicContact CD2-CD1 4.29Å; L909-L937 HydrophobicContact CG-CD1 4.38Å; L911-L937 HydrophobicContact CD1-CD1 4.47Å; M924-L937 HydrophobicContact CE-CD1 4.04Å; M924-L937 HydrophobicContact CE-CD2 4.49Å; M924-L937 HydrophobicContact CG-CD2 3.9Å; M924-L937 HydrophobicContact SD-CD1 4.48Å; M924-L937 HydrophobicContact SD-CD2 3.95Å; L928-L937 HydrophobicContact CD1-CD2 3.96Å; L928-L937 HydrophobicContact CD2-CD2 4.36Å; L934-L937 HydrophobicContact CD2-CB 4.2Å; L934-L937 HydrophobicContact CD2-CD1 4.34Å; L937-L939 HydrophobicContact CD1-CD1 4.48Å; L937-L939 HydrophobicContact CD1-CD2 4.45Å; L937-L939 HydrophobicContact CD1-CG 4.1Å; L937-L939 HydrophobicContact CD2-CD1 3.89Å; L937-L939 HydrophobicContact CD2-CG 4.36Å; L937-L939 HydrophobicContact CG-CD1 4.12Å; L937-L939 HydrophobicContact CG-CG 4.05Å; L937-L962 HydrophobicContact CB-CD1 3.83Å; L937-T964 PolarHBondContact N-O 3.19Å; L937-L965 HydrophobicContact CB-CD1 4.4Å; L937-L965 HydrophobicContact CD2-CD1 4.17Å; L937-L965 HydrophobicContact CG-CD1 4.31Å; L937-R966 PolarHBondContact O-N 3.41Å
938	D	98.6	Very high	97.3	Very high	13 Å²	13	40.2 Å²	40.2	7%	0.07	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	113.6	175.1	-161	-27	0	0	0	110.4	L909 N910 L911 T940 R966	L909-D938 PolarHBondContact O-N 3.31Å; N910-D938 HydrophobicContact CB-CB 4.42Å; L911-D938 CarbonylContact C-O 3.43Å; L911-D938 WeakPolarHBondContact CA-O 3.34Å; L911-D938 PolarHBondContact N-O 3.11Å; D938-T940 WeakPolarHBondContact OD1-CB 3.4Å; D938-T940 PolarHBondContact OD1-N 2.95Å; D938-T940 PolarHBondContact OD1-OG1 3.47Å; D938-R966 WeakPolarHBondContact OD2-CD 3.38Å; D938-R966 IonicContact OD2-NH1 2.7Å; D938-R966 PolarHBondContact OD2-NH1 3.49Å; D938-R966 VanDerWaalsContact OD2-NH1 3.1Å
939	L	98.3	Very high	97.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.199	C	C	.	.			trans	-117.6	20.9	177.1	-70.9	167.7	0	0	0	111.5	L911 I916 M924 L937 N942 L944 I952 R966 L967 N970	L911-L939 HydrophobicContact CB-CD2 4.03Å; L911-L939 HydrophobicContact CD1-CD2 3.99Å; I916-L939 HydrophobicContact CD1-CD2 4.05Å; M924-L939 HydrophobicContact CG-CD1 4.47Å; L937-L939 HydrophobicContact CD1-CD1 4.48Å; L937-L939 HydrophobicContact CD1-CD2 4.45Å; L937-L939 HydrophobicContact CD1-CG 4.1Å; L937-L939 HydrophobicContact CD2-CD1 3.89Å; L937-L939 HydrophobicContact CD2-CG 4.36Å; L937-L939 HydrophobicContact CG-CD1 4.12Å; L937-L939 HydrophobicContact CG-CG 4.05Å; L939-N942 PolarHBondContact O-ND2 3.04Å; L939-L944 HydrophobicContact CB-CD1 4.07Å; L939-L944 HydrophobicContact CD1-CD1 4.18Å; L939-I952 HydrophobicContact CD1-CD1 3.79Å; L939-R966 PolarHBondContact N-O 3.08Å; L939-L967 HydrophobicContact CB-CD2 4.08Å; L939-L967 HydrophobicContact CD1-CD2 4.21Å; L939-N970 PolarHBondContact O-ND2 3.41Å
940	T	98.2	Very high	97.5	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.187	C	C	.	.			trans	-56.6	144.6	-178.1	-58.4	0	0	0	0	112.3	R912 E913 D938 N942 Q968	R912-T940 CarbonylContact C-O 3.6Å; R912-T940 WeakPolarHBondContact CA-O 3.24Å; R912-T940 HydrophobicContact CG-CG2 4.31Å; E913-T940 PolarHBondContact N-O 3.32Å; D938-T940 WeakPolarHBondContact OD1-CB 3.4Å; D938-T940 PolarHBondContact OD1-N 2.95Å; D938-T940 PolarHBondContact OD1-OG1 3.47Å; T940-N942 PolarHBondContact O-ND2 3.4Å; T940-Q968 CarbonylContact C-O 3.47Å; T940-Q968 VanDerWaalsContact CA-O 3.28Å; T940-Q968 WeakPolarHBondContact CA-O 3.47Å; T940-Q968 HydrophobicContact CG2-CB 3.62Å; T940-Q968 HydrophobicContact CG2-CG 3.85Å
941	A	97.5	Very high	97.6	Very high	20 Å²	20	34.5 Å²	34.5	17%	0.165	18%	0.176	C	C	.	.	S	Bend	trans	55.9	59.1	176.8	0	0	0	0	0	112.9	E913 Q968 W969	E913-A941 VanDerWaalsContact CA-O 3.23Å; E913-A941 WeakPolarHBondContact CA-O 3.35Å; E913-A941 HydrophobicContact CG-CB 3.69Å; E913-A941 PolarHBondContact N-O 3.48Å; A941-Q968 PolarHBondContact N-O 2.71Å; A941-W969 WeakPolarHBondContact CA-O 3.37Å; A941-W969 HydrophobicContact CB-CB 4.11Å; A941-W969 HydrophobicContact CB-CE3 4.36Å; A941-W969 PolarHBondContact N-O 3.32Å
942	N	98.1	Very high	97.7	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.016	18%	0.175	C	C	.	.	S	Bend	trans	-129.2	-172.6	173.1	-80	-81.9	0	0	0	109.7	L911 N914 I916 L939 T940 L944 W969 N970	L911-N942 PolarHBondContact O-ND2 3.45Å; L911-N942 VanDerWaalsContact O-ND2 3.1Å; N914-N942 WeakPolarHBondContact CA-OD1 3.44Å; N914-N942 WeakPolarHBondContact CB-OD1 3.41Å; N914-N942 PolarHBondContact N-OD1 2.83Å; N914-N942 PolarHBondContact O-OD1 3.25Å; I916-N942 HydrophobicContact CB-CB 4.19Å; I916-N942 VanDerWaalsContact CB-OD1 3.26Å; I916-N942 WeakPolarHBondContact CB-OD1 3.33Å; I916-N942 VanDerWaalsContact CG1-OD1 3.31Å; I916-N942 WeakPolarHBondContact CG1-OD1 3.4Å; I916-N942 PolarHBondContact N-OD1 3.4Å; I916-N942 VanDerWaalsContact N-OD1 3.16Å; L939-N942 PolarHBondContact O-ND2 3.04Å; T940-N942 PolarHBondContact O-ND2 3.4Å; N942-L944 HydrophobicContact CB-CD2 4.36Å; N942-L944 HydrophobicContact CB-CG 4.22Å; N942-W969 PolarHBondContact N-O 3.4Å; N942-N970 WeakPolarHBondContact CA-OD1 3.2Å; N942-N970 VanDerWaalsContact CB-OD1 3.23Å; N942-N970 WeakPolarHBondContact CB-OD1 3.22Å; N942-N970 PolarHBondContact N-OD1 3.21Å; N942-N970 PolarHBondContact O-OD1 3.05Å
943	L	97	Very high	97.9	Very high	81 Å²	81	30.7 Å²	30.7	42%	0.424	15%	0.15	S	C	.	.	B	Isolated β-bridge	trans	-113.4	42.3	-175.1	-54.9	176.7	0	0	0	111.2	I916 G917 V918 H945 F971	I916-L943 CarbonylContact O-C 3.21Å; I916-L943 VanDerWaalsContact O-C 3.31Å; I916-L943 VanDerWaalsContact O-CA 3.31Å; I916-L943 WeakPolarHBondContact O-CA 3.26Å; I916-L943 PolarHBondContact O-N 3.05Å; G917-L943 CarbonylContact C-O 3.3Å; G917-L943 VanDerWaalsContact CA-O 3.3Å; G917-L943 WeakPolarHBondContact CA-O 3.09Å; V918-L943 PolarHBondContact N-O 2.78Å; L943-H945 PolarHBondContact O-CD2 3.42Å; L943-H945 PolarHBondContact O-N 3.34Å; L943-F971 HydrophobicContact CD2-CD2 4.15Å; L943-F971 HydrophobicContact CD2-CE2 3.59Å
944	L	97.4	Very high	97.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.			trans	-69.8	-34.1	-171.7	-55	175.6	0	0	0	112.9	I916 V918 A921 L939 N942 G948 V949 I952 L967 N970	I916-L944 HydrophobicContact CB-CD2 4.35Å; I916-L944 HydrophobicContact CG2-CD2 3.75Å; V918-L944 VanDerWaalsContact CG2-O 3.29Å; V918-L944 WeakPolarHBondContact CG2-O 3.48Å; A921-L944 HydrophobicContact CB-CB 4.27Å; A921-L944 HydrophobicContact CB-CD2 3.53Å; A921-L944 HydrophobicContact CB-CG 4.35Å; L939-L944 HydrophobicContact CB-CD1 4.07Å; L939-L944 HydrophobicContact CD1-CD1 4.18Å; N942-L944 HydrophobicContact CB-CD2 4.36Å; N942-L944 HydrophobicContact CB-CG 4.22Å; L944-G948 WeakPolarHBondContact O-CA 3.33Å; L944-G948 PolarHBondContact O-N 2.96Å; L944-V949 HydrophobicContact CB-CG2 3.96Å; L944-V949 HydrophobicContact CD1-CG2 4.19Å; L944-I952 HydrophobicContact CD1-CD1 4.19Å; L944-L967 HydrophobicContact CD1-CD2 3.64Å; L944-N970 HydrophobicContact CB-CB 4.34Å; L944-N970 HydrophobicContact CD1-CB 4.36Å; L944-N970 WeakPolarHBondContact CD1-OD1 3.42Å; L944-N970 HydrophobicContact CG-CB 4.47Å; L944-N970 WeakPolarHBondContact CG-OD1 3.22Å
945	H	97.1	Very high	97.9	Very high	83 Å²	83	31.7 Å²	31.7	38%	0.384	16%	0.163	S	C	.	.	H	α-helix	trans	52.5	-177.3	-174.3	-61.3	-78.1	0	0	0	113.4	V918 L943 E947 G948 V949 N970 F971	V918-H945 HydrophobicContact CG2-CB 4.1Å; L943-H945 PolarHBondContact O-CD2 3.42Å; L943-H945 PolarHBondContact O-N 3.34Å; H945-E947 PolarHBondContact O-N 3.23Å; H945-G948 PolarHBondContact O-N 3.05Å; H945-V949 WeakPolarHBondContact O-CG2 3.4Å; H945-V949 PolarHBondContact O-N 2.64Å; H945-N970 WeakPolarHBondContact CA-O 3.37Å; H945-N970 PolarHBondContact N-O 3.21Å; H945-F971 AromaticContact CE1-CG 4Å; H945-F971 WeakPolarHBondContact ND1-CB 3.26Å
946	D	97.5	Very high	97.9	Very high	21 Å²	21	25.3 Å²	25.3	11%	0.112	14%	0.139	C	C	.	.	H	α-helix	trans	-60.7	-45.2	-176.9	-84.3	25.9	0	0	0	112.9	G948 V949 K950 K973 T975 A976	D946-G948 VanDerWaalsContact C-N 3.32Å; D946-G948 PolarHBondContact O-N 3.45Å; D946-V949 PolarHBondContact O-N 2.73Å; D946-K950 WeakPolarHBondContact O-CB 3.29Å; D946-K950 VanDerWaalsContact O-CG 3.22Å; D946-K950 WeakPolarHBondContact O-CG 3.34Å; D946-K950 PolarHBondContact O-N 3.01Å; D946-K973 PolarHBondContact OD1-N 3.28Å; D946-T975 PolarHBondContact OD2-OG1 3.25Å; D946-A976 HydrophobicContact CB-CB 3.93Å; D946-A976 PolarHBondContact OD2-N 3.45Å
947	E	97.6	Very high	97.7	Very high	103 Å²	103	25.5 Å²	25.5	48%	0.481	14%	0.139	S	C	.	.	H	α-helix	trans	-63.7	-37	-176.1	-65.6	-54	120.4	0	0	112.7	V918 H945 K950 A951	V918-E947 HydrophobicContact CG1-CB 3.79Å; H945-E947 PolarHBondContact O-N 3.23Å; E947-K950 IonicContact OE1-NZ 3.55Å; E947-K950 PolarHBondContact OE1-NZ 2.9Å; E947-A951 PolarHBondContact O-N 3.36Å
948	G	97.7	Very high	97.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-68.7	-44.1	176.3	0	0	0	0	0	112.2	A921 L944 H945 D946 A951 I952	A921-G948 VanDerWaalsContact CB-CA 3.4Å; L944-G948 WeakPolarHBondContact O-CA 3.33Å; L944-G948 PolarHBondContact O-N 2.96Å; H945-G948 PolarHBondContact O-N 3.05Å; D946-G948 VanDerWaalsContact C-N 3.32Å; D946-G948 PolarHBondContact O-N 3.45Å; G948-A951 WeakPolarHBondContact O-CB 3.31Å; G948-A951 PolarHBondContact O-N 2.81Å; G948-I952 PolarHBondContact O-N 3.02Å; G948-I952 VanDerWaalsContact O-N 3.14Å
949	V	98.3	Very high	97.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-72.1	-31.9	-179.8	176.6	0	0	0	0	112.3	L944 H945 D946 A951 I952 A953 L967 I972 A976 L980	L944-V949 HydrophobicContact CB-CG2 3.96Å; L944-V949 HydrophobicContact CD1-CG2 4.19Å; H945-V949 WeakPolarHBondContact O-CG2 3.4Å; H945-V949 PolarHBondContact O-N 2.64Å; D946-V949 PolarHBondContact O-N 2.73Å; V949-A951 VanDerWaalsContact C-N 3.29Å; V949-A951 PolarHBondContact O-N 3.29Å; V949-I952 PolarHBondContact O-N 2.94Å; V949-A953 WeakPolarHBondContact O-CB 3.3Å; V949-A953 PolarHBondContact O-N 3.12Å; V949-L967 HydrophobicContact CG1-CD1 4.04Å; V949-L967 HydrophobicContact CG2-CD2 4.47Å; V949-I972 HydrophobicContact CB-CD1 4.5Å; V949-I972 HydrophobicContact CG1-CD1 4.25Å; V949-I972 HydrophobicContact CG2-CD1 3.75Å; V949-I972 HydrophobicContact CG2-CG1 3.86Å; V949-A976 HydrophobicContact CB-CB 3.93Å; V949-A976 HydrophobicContact CG1-CB 3.97Å; V949-L980 HydrophobicContact CG1-CD1 3.64Å; V949-L980 HydrophobicContact CG1-CD2 4.43Å; V949-L980 HydrophobicContact CG1-CG 4.02Å
950	K	98.4	Very high	97.3	Very high	61 Å²	61	35.7 Å²	35.7	27%	0.265	19%	0.186	S	C	.	.	H	α-helix	trans	-57.8	-42.7	169.5	-76.3	174.2	-172.1	166.5	0	111.7	D946 E947 A953 G954 T975 A976	D946-K950 WeakPolarHBondContact O-CB 3.29Å; D946-K950 VanDerWaalsContact O-CG 3.22Å; D946-K950 WeakPolarHBondContact O-CG 3.34Å; D946-K950 PolarHBondContact O-N 3.01Å; E947-K950 IonicContact OE1-NZ 3.55Å; E947-K950 PolarHBondContact OE1-NZ 2.9Å; K950-A953 WeakPolarHBondContact O-CB 3.23Å; K950-A953 PolarHBondContact O-N 2.92Å; K950-G954 PolarHBondContact O-N 3.27Å; K950-T975 WeakPolarHBondContact CE-OG1 3.5Å; K950-T975 PolarHBondContact NZ-OG1 2.65Å; K950-A976 HydrophobicContact CG-CB 4.28Å
951	A	98.3	Very high	97.2	Very high	29 Å²	29	36.4 Å²	36.4	24%	0.24	19%	0.192	C	C	.	.	H	α-helix	trans	-63.2	-46.3	175.7	0	0	0	0	0	111.2	K922 A925 E947 G948 V949 A953 G954 A955	K922-A951 HydrophobicContact CB-CB 4.43Å; K922-A951 HydrophobicContact CG-CB 3.87Å; A925-A951 HydrophobicContact CB-CB 3.79Å; A925-A951 VanDerWaalsContact CB-O 3.29Å; A925-A951 WeakPolarHBondContact CB-O 3.34Å; E947-A951 PolarHBondContact O-N 3.36Å; G948-A951 WeakPolarHBondContact O-CB 3.31Å; G948-A951 PolarHBondContact O-N 2.81Å; V949-A951 VanDerWaalsContact C-N 3.29Å; V949-A951 PolarHBondContact O-N 3.29Å; A951-A953 VanDerWaalsContact C-N 3.31Å; A951-A953 PolarHBondContact O-N 3.46Å; A951-G954 PolarHBondContact O-N 3.49Å; A951-G954 VanDerWaalsContact O-N 3.14Å; A951-A955 PolarHBondContact O-N 3.4Å; A951-A955 VanDerWaalsContact O-N 3.08Å
952	I	98.3	Very high	97.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.5	-42.5	176.1	-66.3	171.1	0	0	0	110.8	A921 A925 L928 L939 L944 G948 V949 G954 A955 V956 L965 L967	A921-I952 HydrophobicContact CB-CD1 4.22Å; A925-I952 HydrophobicContact CB-CG1 4.36Å; L928-I952 HydrophobicContact CD1-CG2 4.5Å; L939-I952 HydrophobicContact CD1-CD1 3.79Å; L944-I952 HydrophobicContact CD1-CD1 4.19Å; G948-I952 PolarHBondContact O-N 3.02Å; G948-I952 VanDerWaalsContact O-N 3.14Å; V949-I952 PolarHBondContact O-N 2.94Å; I952-G954 VanDerWaalsContact C-N 3.32Å; I952-G954 PolarHBondContact O-N 3.35Å; I952-A955 CarbonylContact O-C 3.57Å; I952-A955 WeakPolarHBondContact O-CA 3.46Å; I952-A955 WeakPolarHBondContact O-CB 3.38Å; I952-A955 PolarHBondContact O-N 3.07Å; I952-V956 HydrophobicContact CG2-CG2 4.19Å; I952-V956 WeakPolarHBondContact O-CG2 3.23Å; I952-V956 PolarHBondContact O-N 3.29Å; I952-L965 HydrophobicContact CG2-CD2 3.93Å; I952-L967 HydrophobicContact CD1-CD2 4.37Å
953	A	98	Very high	97.2	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-58.8	-43.4	175.2	0	0	0	0	0	112	V949 K950 A951 A955 V956 K957 L980 A983	V949-A953 WeakPolarHBondContact O-CB 3.3Å; V949-A953 PolarHBondContact O-N 3.12Å; K950-A953 WeakPolarHBondContact O-CB 3.23Å; K950-A953 PolarHBondContact O-N 2.92Å; A951-A953 VanDerWaalsContact C-N 3.31Å; A951-A953 PolarHBondContact O-N 3.46Å; A953-A955 VanDerWaalsContact C-N 3.25Å; A953-A955 PolarHBondContact O-N 2.84Å; A953-V956 PolarHBondContact O-N 2.84Å; A953-K957 PolarHBondContact O-N 2.91Å; A953-L980 HydrophobicContact CB-CB 4.47Å; A953-L980 HydrophobicContact CB-CD2 3.75Å; A953-L980 HydrophobicContact CB-CG 3.97Å; A953-A983 HydrophobicContact CB-CB 4.41Å; A953-A983 WeakPolarHBondContact O-CB 3.19Å
954	G	97.4	Very high	97.3	Very high	36 Å²	36	33.4 Å²	33.4	37%	0.371	18%	0.175	S	C	.	.	H	α-helix	trans	-57.8	-37.2	173.1	0	0	0	0	0	113	K950 A951 I952 K957	K950-G954 PolarHBondContact O-N 3.27Å; A951-G954 PolarHBondContact O-N 3.49Å; A951-G954 VanDerWaalsContact O-N 3.14Å; I952-G954 VanDerWaalsContact C-N 3.32Å; I952-G954 PolarHBondContact O-N 3.35Å; G954-K957 WeakPolarHBondContact O-CB 3.37Å
955	A	97.4	Very high	97.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-73	-43.1	174.6	0	0	0	0	0	112.9	A925 L928 Q929 A951 I952 A953 K957 V958 N959	A925-A955 HydrophobicContact CB-CB 4.07Å; A925-A955 WeakPolarHBondContact O-CB 3.36Å; L928-A955 HydrophobicContact CB-CB 3.89Å; Q929-A955 HydrophobicContact CG-CB 3.88Å; A951-A955 PolarHBondContact O-N 3.4Å; A951-A955 VanDerWaalsContact O-N 3.08Å; I952-A955 CarbonylContact O-C 3.57Å; I952-A955 WeakPolarHBondContact O-CA 3.46Å; I952-A955 WeakPolarHBondContact O-CB 3.38Å; I952-A955 PolarHBondContact O-N 3.07Å; A953-A955 VanDerWaalsContact C-N 3.25Å; A953-A955 PolarHBondContact O-N 2.84Å; A955-K957 PolarHBondContact O-N 3.4Å; A955-V958 VanDerWaalsContact O-CG2 3.28Å; A955-V958 WeakPolarHBondContact O-CG2 3.15Å; A955-V958 PolarHBondContact O-N 2.92Å; A955-V958 VanDerWaalsContact O-N 3.09Å; A955-N959 VanDerWaalsContact O-CB 3.32Å; A955-N959 WeakPolarHBondContact O-CB 3.5Å; A955-N959 PolarHBondContact O-N 3.02Å
956	V	97	Very high	97.4	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.024	18%	0.175	C	C	.	.	H	α-helix	trans	-58.3	-33.8	176	169.7	0	0	0	0	111.3	I952 A953 V958 L962 L965 A983 N987 M990	I952-V956 HydrophobicContact CG2-CG2 4.19Å; I952-V956 WeakPolarHBondContact O-CG2 3.23Å; I952-V956 PolarHBondContact O-N 3.29Å; A953-V956 PolarHBondContact O-N 2.84Å; V956-V958 PolarHBondContact O-N 3.27Å; V956-L962 HydrophobicContact CG2-CD2 4.43Å; V956-L965 HydrophobicContact CG2-CD2 3.97Å; V956-A983 HydrophobicContact CB-CB 4.37Å; V956-A983 HydrophobicContact CG1-CB 4.26Å; V956-N987 HydrophobicContact CG1-CB 4.36Å; V956-N987 PolarHBondContact O-ND2 3.02Å; V956-M990 HydrophobicContact CG1-CE 3.74Å; V956-M990 HydrophobicContact CG2-CE 3.97Å
957	K	96.1	Very high	97.5	Very high	78 Å²	78	33.2 Å²	33.2	34%	0.339	17%	0.169	S	C	.	.	H	α-helix	trans	-56.2	-36	176.8	-171.9	176.9	177.5	170.8	0	112.8	A953 G954 A955 H982 A983 T986	A953-K957 PolarHBondContact O-N 2.91Å; G954-K957 WeakPolarHBondContact O-CB 3.37Å; A955-K957 PolarHBondContact O-N 3.4Å; K957-H982 PolarHBondContact NZ-NE2 3.06Å; K957-A983 HydrophobicContact CB-CB 3.95Å; K957-T986 WeakPolarHBondContact CG-OG1 3.38Å
958	V	95.5	Very high	97.4	Very high	82 Å²	82	29.9 Å²	29.9	50%	0.497	15%	0.154	S	C	.	.	H	α-helix	trans	-106.3	-28.7	-175.1	-62.4	0	0	0	0	113.6	Q929 A955 V956	Q929-V958 HydrophobicContact CB-CG2 4.46Å; Q929-V958 HydrophobicContact CG-CG2 3.9Å; A955-V958 VanDerWaalsContact O-CG2 3.28Å; A955-V958 WeakPolarHBondContact O-CG2 3.15Å; A955-V958 PolarHBondContact O-N 2.92Å; A955-V958 VanDerWaalsContact O-N 3.09Å; V956-V958 PolarHBondContact O-N 3.27Å
959	N	96.2	Very high	97.4	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	18%	0.179	C	C	.	.			trans	-65.6	137.2	-179	-178.9	-78.9	0	0	0	111.2	L928 N931 A955 A961 L962 N987	L928-N959 PolarHBondContact O-ND2 3.15Å; N931-N959 PolarHBondContact O-ND2 3.43Å; A955-N959 VanDerWaalsContact O-CB 3.32Å; A955-N959 WeakPolarHBondContact O-CB 3.5Å; A955-N959 PolarHBondContact O-N 3.02Å; N959-A961 PolarHBondContact OD1-N 3.4Å; N959-L962 WeakPolarHBondContact OD1-CB 3.28Å; N959-L962 PolarHBondContact OD1-N 3.42Å; N959-N987 PolarHBondContact O-ND2 3.05Å
960	R	94.4	Very high	97.3	Very high	139 Å²	139	36.5 Å²	36.5	53%	0.525	18%	0.179	S	C	.	.	S	Bend	trans	-119.3	13.8	-178.6	-56.9	-62.8	-179.2	171.7	-6.5	113.6	T986 S988 T989	R960-T986 PolarHBondContact NH1-O 3.32Å; R960-T986 VanDerWaalsContact NH1-O 3.09Å; R960-S988 PolarHBondContact NH1-OG 2.89Å; R960-S988 VanDerWaalsContact NH1-OG 3.1Å; R960-T989 HydrophobicContact CB-CG2 4.3Å; R960-T989 WeakPolarHBondContact O-CG2 3.44Å
961	A	96.5	Very high	97.2	Very high	17 Å²	17	39.4 Å²	39.4	14%	0.14	19%	0.191	C	C	.	.	S	Bend	trans	-112.7	-37.3	-178.4	0	0	0	0	0	112.6	S932 L934 N959 T963	S932-A961 VanDerWaalsContact C-CB 3.48Å; S932-A961 WeakPolarHBondContact O-CB 3.47Å; L934-A961 CarbonylContact O-C 3.59Å; N959-A961 PolarHBondContact OD1-N 3.4Å; A961-T963 PolarHBondContact O-N 3.48Å
962	L	97.8	Very high	97.2	Very high	1 Å²	1	38 Å²	38	1%	0.005	18%	0.18	C	C	.	.			trans	-70.3	125.4	-175.5	-165.2	70.6	0	0	0	110.3	L928 L934 R935 L937 V956 N959 L965 T989 M990	L928-L962 HydrophobicContact CD1-CD2 4.4Å; L928-L962 HydrophobicContact CD2-CD2 4.38Å; L934-L962 WeakPolarHBondContact O-CA 3.34Å; L934-L962 PolarHBondContact O-N 3.25Å; R935-L962 WeakPolarHBondContact O-CD1 3.17Å; L937-L962 HydrophobicContact CB-CD1 3.83Å; V956-L962 HydrophobicContact CG2-CD2 4.43Å; N959-L962 WeakPolarHBondContact OD1-CB 3.28Å; N959-L962 PolarHBondContact OD1-N 3.42Å; L962-L965 HydrophobicContact CD2-CB 4.29Å; L962-L965 HydrophobicContact CD2-CD1 4.47Å; L962-T989 PolarHBondContact O-OG1 2.92Å; L962-T989 VanDerWaalsContact O-OG1 3.05Å; L962-M990 HydrophobicContact CB-CE 4.49Å; L962-M990 HydrophobicContact CD2-CE 3.9Å; L962-M990 HydrophobicContact CG-CE 4.15Å
963	T	98.3	Very high	97.1	Very high	22 Å²	22	44 Å²	44	14%	0.135	21%	0.206	C	C	.	.			trans	-115.3	-23.9	179.7	64	0	0	0	0	112.3	R935 A961 Q991 L992	R935-T963 PolarHBondContact O-N 3.48Å; R935-T963 PolarHBondContact O-OG1 2.93Å; A961-T963 PolarHBondContact O-N 3.48Å; T963-Q991 WeakPolarHBondContact O-CA 3.39Å; T963-Q991 PolarHBondContact O-N 2.91Å; T963-L992 PolarHBondContact O-N 3.31Å
964	T	98.7	Very high	96.9	Very high	17 Å²	17	45.3 Å²	45.3	10%	0.104	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	124	-178.7	-57.5	0	0	0	0	109.8	R935 H936 L937 R966 L992	R935-T964 PolarHBondContact O-N 3.03Å; H936-T964 VanDerWaalsContact ND1-CB 3.28Å; H936-T964 WeakPolarHBondContact ND1-CB 3.48Å; H936-T964 PolarHBondContact ND1-OG1 3.42Å; L937-T964 PolarHBondContact N-O 3.19Å; T964-R966 HydrophobicContact CG2-CG 4.5Å; T964-L992 WeakPolarHBondContact CA-O 3.34Å; T964-L992 HydrophobicContact CG2-CB 4.15Å; T964-L992 HydrophobicContact CG2-CD1 4.43Å; T964-L992 HydrophobicContact CG2-CD2 3.95Å; T964-L992 HydrophobicContact CG2-CG 4.39Å
965	L	98.6	Very high	96.8	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	120.6	175	179.1	58.7	0	0	0	110.2	L937 I952 V956 L962 L967 M990 L992 L993 D994	L937-L965 HydrophobicContact CB-CD1 4.4Å; L937-L965 HydrophobicContact CD2-CD1 4.17Å; L937-L965 HydrophobicContact CG-CD1 4.31Å; I952-L965 HydrophobicContact CG2-CD2 3.93Å; V956-L965 HydrophobicContact CG2-CD2 3.97Å; L962-L965 HydrophobicContact CD2-CB 4.29Å; L962-L965 HydrophobicContact CD2-CD1 4.47Å; L965-L967 HydrophobicContact CD1-CD1 4.42Å; L965-L967 HydrophobicContact CD1-CD2 4.24Å; L965-L967 HydrophobicContact CD1-CG 4.08Å; L965-L967 HydrophobicContact CD2-CD1 3.85Å; L965-L967 HydrophobicContact CD2-CG 4.38Å; L965-L967 HydrophobicContact CG-CD1 3.97Å; L965-L967 HydrophobicContact CG-CG 3.96Å; L965-M990 HydrophobicContact CB-CE 3.97Å; L965-M990 HydrophobicContact CB-SD 3.89Å; L965-M990 HydrophobicContact CD2-CE 4.34Å; L965-L992 PolarHBondContact N-O 3.11Å; L965-L993 HydrophobicContact CB-CD1 4.33Å; L965-L993 HydrophobicContact CD2-CD1 4.29Å; L965-L993 HydrophobicContact CG-CD1 4.34Å; L965-D994 PolarHBondContact O-N 3.48Å
966	R	98.7	Very high	96.8	Very high	100 Å²	100	46.3 Å²	46.3	38%	0.377	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.4	174.5	-57	-171.4	-177.3	137.2	-3.7	111.9	L937 D938 L939 T964 L992 D994	L937-R966 PolarHBondContact O-N 3.41Å; D938-R966 WeakPolarHBondContact OD2-CD 3.38Å; D938-R966 IonicContact OD2-NH1 2.7Å; D938-R966 PolarHBondContact OD2-NH1 3.49Å; D938-R966 VanDerWaalsContact OD2-NH1 3.1Å; L939-R966 PolarHBondContact N-O 3.08Å; T964-R966 HydrophobicContact CG2-CG 4.5Å; R966-L992 HydrophobicContact CG-CD2 4.22Å; R966-D994 HydrophobicContact CB-CB 4.13Å; R966-D994 HydrophobicContact CG-CB 3.89Å
967	L	98.1	Very high	96.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.213	C	C	.	.			trans	-136.2	20.5	-172.4	-69.3	173.3	0	0	0	112	L939 L944 V949 I952 L965 N970 I972 L980 D994 L995 N998	L939-L967 HydrophobicContact CB-CD2 4.08Å; L939-L967 HydrophobicContact CD1-CD2 4.21Å; L944-L967 HydrophobicContact CD1-CD2 3.64Å; V949-L967 HydrophobicContact CG1-CD1 4.04Å; V949-L967 HydrophobicContact CG2-CD2 4.47Å; I952-L967 HydrophobicContact CD1-CD2 4.37Å; L965-L967 HydrophobicContact CD1-CD1 4.42Å; L965-L967 HydrophobicContact CD1-CD2 4.24Å; L965-L967 HydrophobicContact CD1-CG 4.08Å; L965-L967 HydrophobicContact CD2-CD1 3.85Å; L965-L967 HydrophobicContact CD2-CG 4.38Å; L965-L967 HydrophobicContact CG-CD1 3.97Å; L965-L967 HydrophobicContact CG-CG 3.96Å; L967-N970 VanDerWaalsContact C-ND2 3.31Å; L967-N970 WeakPolarHBondContact O-CB 3.33Å; L967-N970 PolarHBondContact O-ND2 2.91Å; L967-I972 HydrophobicContact CB-CD1 3.85Å; L967-I972 HydrophobicContact CD1-CD1 4.47Å; L967-L980 HydrophobicContact CD1-CD1 4.21Å; L967-D994 WeakPolarHBondContact CA-O 3.28Å; L967-D994 PolarHBondContact N-O 3.39Å; L967-L995 HydrophobicContact CB-CD2 3.97Å; L967-L995 HydrophobicContact CD1-CD2 4.04Å; L967-N998 PolarHBondContact O-ND2 2.8Å
968	Q	96.7	Very high	96.9	Very high	32 Å²	32	46.6 Å²	46.6	15%	0.15	22%	0.215	C	C	.	.			trans	-55.3	145.9	175.6	168.1	177.2	43.4	0	0	111.2	T940 A941 N970 Q996 E997	T940-Q968 CarbonylContact C-O 3.47Å; T940-Q968 VanDerWaalsContact CA-O 3.28Å; T940-Q968 WeakPolarHBondContact CA-O 3.47Å; T940-Q968 HydrophobicContact CG2-CB 3.62Å; T940-Q968 HydrophobicContact CG2-CG 3.85Å; A941-Q968 PolarHBondContact N-O 2.71Å; Q968-N970 PolarHBondContact O-ND2 3.49Å; Q968-Q996 VanDerWaalsContact CA-O 3.23Å; Q968-Q996 WeakPolarHBondContact CA-O 3.46Å; Q968-Q996 HydrophobicContact CB-CB 4.21Å; Q968-Q996 HydrophobicContact CG-CB 4.03Å; Q968-Q996 WeakPolarHBondContact CG-O 3.29Å; Q968-E997 HydrophobicContact CG-CB 4.42Å
969	W	96.4	Very high	97	Very high	139 Å²	139	44.6 Å²	44.6	53%	0.527	20%	0.204	S	C	.	.	S	Bend	trans	53.9	57.6	176.4	-68	12.4	0	0	0	113.5	A941 N942 Q996 E997	A941-W969 WeakPolarHBondContact CA-O 3.37Å; A941-W969 HydrophobicContact CB-CB 4.11Å; A941-W969 HydrophobicContact CB-CE3 4.36Å; A941-W969 PolarHBondContact N-O 3.32Å; N942-W969 PolarHBondContact N-O 3.4Å; W969-Q996 PolarHBondContact N-O 3.06Å; W969-E997 HydrophobicContact CG-CB 4.42Å
970	N	97.6	Very high	97.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-126.9	15.6	-179	-86.3	-69.9	0	0	0	114.1	L939 N942 L944 H945 L967 Q968 I972 N998	L939-N970 PolarHBondContact O-ND2 3.41Å; N942-N970 WeakPolarHBondContact CA-OD1 3.2Å; N942-N970 VanDerWaalsContact CB-OD1 3.23Å; N942-N970 WeakPolarHBondContact CB-OD1 3.22Å; N942-N970 PolarHBondContact N-OD1 3.21Å; N942-N970 PolarHBondContact O-OD1 3.05Å; L944-N970 HydrophobicContact CB-CB 4.34Å; L944-N970 HydrophobicContact CD1-CB 4.36Å; L944-N970 WeakPolarHBondContact CD1-OD1 3.42Å; L944-N970 HydrophobicContact CG-CB 4.47Å; L944-N970 WeakPolarHBondContact CG-OD1 3.22Å; H945-N970 WeakPolarHBondContact CA-O 3.37Å; H945-N970 PolarHBondContact N-O 3.21Å; L967-N970 VanDerWaalsContact C-ND2 3.31Å; L967-N970 WeakPolarHBondContact O-CB 3.33Å; L967-N970 PolarHBondContact O-ND2 2.91Å; Q968-N970 PolarHBondContact O-ND2 3.49Å; N970-I972 HydrophobicContact CB-CD1 3.88Å; N970-I972 HydrophobicContact CB-CG1 3.76Å; N970-I972 PolarHBondContact O-N 2.85Å; N970-N998 PolarHBondContact N-OD1 2.94Å
971	F	96.1	Very high	97.3	Very high	122 Å²	122	38 Å²	38	54%	0.535	18%	0.18	S	C	.	.			trans	56.1	37.1	-177.8	-55.2	-87.2	0	0	0	112.6	L943 H945 N998	L943-F971 HydrophobicContact CD2-CD2 4.15Å; L943-F971 HydrophobicContact CD2-CE2 3.59Å; H945-F971 AromaticContact CE1-CG 4Å; H945-F971 WeakPolarHBondContact ND1-CB 3.26Å; F971-N998 PolarHBondContact N-OD1 3.28Å
972	I	96.7	Very high	97.3	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.196	C	C	.	.			trans	-79.7	134.9	-179.5	-54.4	173.5	0	0	0	109.6	V949 L967 N970 A976 L995 N998 A999 I1000	V949-I972 HydrophobicContact CB-CD1 4.5Å; V949-I972 HydrophobicContact CG1-CD1 4.25Å; V949-I972 HydrophobicContact CG2-CD1 3.75Å; V949-I972 HydrophobicContact CG2-CG1 3.86Å; L967-I972 HydrophobicContact CB-CD1 3.85Å; L967-I972 HydrophobicContact CD1-CD1 4.47Å; N970-I972 HydrophobicContact CB-CD1 3.88Å; N970-I972 HydrophobicContact CB-CG1 3.76Å; N970-I972 PolarHBondContact O-N 2.85Å; I972-A976 HydrophobicContact CG2-CB 3.8Å; I972-L995 HydrophobicContact CD1-CD2 4.03Å; I972-N998 HydrophobicContact CB-CB 3.88Å; I972-N998 WeakPolarHBondContact CB-OD1 3.5Å; I972-N998 WeakPolarHBondContact CG1-OD1 3.36Å; I972-N998 PolarHBondContact N-OD1 2.8Å; I972-A999 CarbonylContact O-C 3.57Å; I972-A999 WeakPolarHBondContact O-CA 3.49Å; I972-A999 PolarHBondContact O-N 3.37Å; I972-I1000 PolarHBondContact O-N 3.18Å
973	K	96.5	Very high	97.3	Very high	126 Å²	126	42 Å²	42	55%	0.548	20%	0.196	S	C	.	.			trans	-117.9	-177.8	174.7	-54.2	-179.5	-179.6	-179.1	0	111.2	D946 T975 A976 T977 A999	D946-K973 PolarHBondContact OD1-N 3.28Å; K973-T975 PolarHBondContact O-N 3.08Å; K973-T975 VanDerWaalsContact O-N 3.11Å; K973-A976 PolarHBondContact O-N 3.4Å; K973-T977 PolarHBondContact O-N 3.36Å; K973-T977 PolarHBondContact O-OG1 2.93Å; K973-A999 WeakPolarHBondContact CA-O 3Å; K973-A999 HydrophobicContact CG-CB 4.47Å
974	C	94.7	Very high	97.2	Very high	29 Å²	29	41.2 Å²	41.2	20%	0.196	19%	0.191	C	C	.	.	H	α-helix	trans	-56.4	-30.8	-174.3	70.8	0	0	0	0	114.4	T977 K978 I1000 E1003	C974-T977 PolarHBondContact O-N 3.32Å; C974-K978 WeakPolarHBondContact O-CB 3.34Å; C974-K978 VanDerWaalsContact O-CG 3.25Å; C974-K978 WeakPolarHBondContact O-CG 3.42Å; C974-K978 PolarHBondContact O-N 3.5Å; C974-I1000 WeakPolarHBondContact CA-O 3.23Å; C974-I1000 VanDerWaalsContact CB-O 3.25Å; C974-I1000 WeakPolarHBondContact CB-O 3.35Å; C974-I1000 PolarHBondContact N-O 2.99Å; C974-E1003 HydrophobicContact CB-CB 4.15Å
975	T	95.9	Very high	97.1	Very high	56 Å²	56	44.3 Å²	44.3	34%	0.344	21%	0.206	S	C	.	.	H	α-helix	trans	-72.9	-37.8	-173.3	80.8	0	0	0	0	112.8	D946 K950 K973 S979	D946-T975 PolarHBondContact OD2-OG1 3.25Å; K950-T975 WeakPolarHBondContact CE-OG1 3.5Å; K950-T975 PolarHBondContact NZ-OG1 2.65Å; K973-T975 PolarHBondContact O-N 3.08Å; K973-T975 VanDerWaalsContact O-N 3.11Å; T975-S979 PolarHBondContact O-N 3.15Å; T975-S979 PolarHBondContact O-OG 3.3Å
976	A	96.6	Very high	96.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-70.2	-40.9	171.7	0	0	0	0	0	112	D946 V949 K950 I972 K973 K978 S979 L980	D946-A976 HydrophobicContact CB-CB 3.93Å; D946-A976 PolarHBondContact OD2-N 3.45Å; V949-A976 HydrophobicContact CB-CB 3.93Å; V949-A976 HydrophobicContact CG1-CB 3.97Å; K950-A976 HydrophobicContact CG-CB 4.28Å; I972-A976 HydrophobicContact CG2-CB 3.8Å; K973-A976 PolarHBondContact O-N 3.4Å; A976-K978 VanDerWaalsContact C-N 3.34Å; A976-K978 PolarHBondContact O-N 2.96Å; A976-S979 WeakPolarHBondContact O-CA 3.22Å; A976-S979 WeakPolarHBondContact O-CB 3.49Å; A976-S979 PolarHBondContact O-N 3.49Å; A976-L980 PolarHBondContact O-N 3Å
977	T	96.9	Very high	96.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.8	-38.9	176.8	-55.7	0	0	0	0	112.4	K973 C974 S979 L980 A981 I1000 G1004 L1008	K973-T977 PolarHBondContact O-N 3.36Å; K973-T977 PolarHBondContact O-OG1 2.93Å; C974-T977 PolarHBondContact O-N 3.32Å; T977-S979 PolarHBondContact O-N 3.15Å; T977-L980 PolarHBondContact O-N 3.02Å; T977-A981 WeakPolarHBondContact O-CB 3.34Å; T977-A981 PolarHBondContact O-N 2.94Å; T977-I1000 HydrophobicContact CG2-CG2 3.76Å; T977-I1000 WeakPolarHBondContact OG1-CG2 3.38Å; T977-G1004 VanDerWaalsContact CG2-O 3.32Å; T977-G1004 WeakPolarHBondContact CG2-O 3.49Å; T977-L1008 HydrophobicContact CG2-CD1 3.48Å; T977-L1008 VanDerWaalsContact CG2-CD1 3.48Å; T977-L1008 HydrophobicContact CG2-CD2 4.07Å; T977-L1008 HydrophobicContact CG2-CG 3.52Å
978	K	97.9	Very high	96.4	Very high	88 Å²	88	46 Å²	46	38%	0.383	23%	0.23	S	C	.	.	H	α-helix	trans	-58	-37.3	171.3	-76.3	170.9	-172.9	175.8	0	112	C974 A976 H982 E1003 A1007	C974-K978 WeakPolarHBondContact O-CB 3.34Å; C974-K978 VanDerWaalsContact O-CG 3.25Å; C974-K978 WeakPolarHBondContact O-CG 3.42Å; C974-K978 PolarHBondContact O-N 3.5Å; A976-K978 VanDerWaalsContact C-N 3.34Å; A976-K978 PolarHBondContact O-N 2.96Å; K978-H982 PolarHBondContact O-N 3.37Å; K978-E1003 IonicContact NZ-OE2 3.84Å; K978-E1003 PolarHBondContact NZ-OE2 3.46Å; K978-A1007 HydrophobicContact CB-CB 4.41Å; K978-A1007 HydrophobicContact CG-CB 3.74Å
979	S	98	Very high	96.4	Very high	40 Å²	40	45.8 Å²	45.8	28%	0.28	23%	0.231	S	C	.	.	H	α-helix	trans	-71.2	-41	177.3	-57.1	0	0	0	0	112	T975 A976 T977 H982 A983	T975-S979 PolarHBondContact O-N 3.15Å; T975-S979 PolarHBondContact O-OG 3.3Å; A976-S979 WeakPolarHBondContact O-CA 3.22Å; A976-S979 WeakPolarHBondContact O-CB 3.49Å; A976-S979 PolarHBondContact O-N 3.49Å; T977-S979 PolarHBondContact O-N 3.15Å; S979-H982 PolarHBondContact O-N 2.95Å; S979-A983 PolarHBondContact O-N 3.22Å
980	L	98	Very high	96.4	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-60.9	-44.6	172.2	-75.8	169.3	0	0	0	111.5	V949 A953 L967 A976 T977 H982 A983 L984 L995	V949-L980 HydrophobicContact CG1-CD1 3.64Å; V949-L980 HydrophobicContact CG1-CD2 4.43Å; V949-L980 HydrophobicContact CG1-CG 4.02Å; A953-L980 HydrophobicContact CB-CB 4.47Å; A953-L980 HydrophobicContact CB-CD2 3.75Å; A953-L980 HydrophobicContact CB-CG 3.97Å; L967-L980 HydrophobicContact CD1-CD1 4.21Å; A976-L980 PolarHBondContact O-N 3Å; T977-L980 PolarHBondContact O-N 3.02Å; L980-H982 VanDerWaalsContact C-N 3.32Å; L980-H982 PolarHBondContact O-N 3.42Å; L980-A983 WeakPolarHBondContact O-CB 3.49Å; L980-A983 PolarHBondContact O-N 2.7Å; L980-A983 VanDerWaalsContact O-N 3.11Å; L980-L984 WeakPolarHBondContact O-CG 3.4Å; L980-L984 PolarHBondContact O-N 3.19Å; L980-L995 HydrophobicContact CD1-CD1 4.25Å; L980-L995 HydrophobicContact CD1-CD2 3.69Å
981	A	97.8	Very high	96.5	Very high	5 Å²	5	44.1 Å²	44.1	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-57.3	-45.7	174.9	0	0	0	0	0	111.6	T977 A983 L984 L985 A1007 L1008 A1011	T977-A981 WeakPolarHBondContact O-CB 3.34Å; T977-A981 PolarHBondContact O-N 2.94Å; A981-A983 VanDerWaalsContact C-N 3.3Å; A981-A983 PolarHBondContact O-N 2.7Å; A981-L984 PolarHBondContact O-N 3.3Å; A981-L985 PolarHBondContact O-N 3.33Å; A981-A1007 HydrophobicContact CB-CB 3.95Å; A981-A1007 WeakPolarHBondContact CB-O 3.35Å; A981-L1008 HydrophobicContact CB-CD2 4.15Å; A981-A1011 HydrophobicContact CB-CB 4.07Å; A981-A1011 WeakPolarHBondContact O-CB 3.46Å
982	H	97.1	Very high	96.6	Very high	101 Å²	101	40 Å²	40	47%	0.468	21%	0.213	S	C	.	.	H	α-helix	trans	-61.8	-37	175.8	-176.3	71.4	0	0	0	112.8	K957 K978 S979 L980 L985	K957-H982 PolarHBondContact NZ-NE2 3.06Å; K978-H982 PolarHBondContact O-N 3.37Å; S979-H982 PolarHBondContact O-N 2.95Å; L980-H982 VanDerWaalsContact C-N 3.32Å; L980-H982 PolarHBondContact O-N 3.42Å; H982-L985 WeakPolarHBondContact O-CB 3.5Å; H982-L985 PolarHBondContact O-N 3.04Å
983	A	97.4	Very high	96.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-39	175.8	0	0	0	0	0	112.5	A953 V956 K957 S979 L980 A981 L985 T986 N987	A953-A983 HydrophobicContact CB-CB 4.41Å; A953-A983 WeakPolarHBondContact O-CB 3.19Å; V956-A983 HydrophobicContact CB-CB 4.37Å; V956-A983 HydrophobicContact CG1-CB 4.26Å; K957-A983 HydrophobicContact CB-CB 3.95Å; S979-A983 PolarHBondContact O-N 3.22Å; L980-A983 WeakPolarHBondContact O-CB 3.49Å; L980-A983 PolarHBondContact O-N 2.7Å; L980-A983 VanDerWaalsContact O-N 3.11Å; A981-A983 VanDerWaalsContact C-N 3.3Å; A981-A983 PolarHBondContact O-N 2.7Å; A983-L985 PolarHBondContact O-N 3.43Å; A983-T986 PolarHBondContact O-N 3.48Å; A983-T986 PolarHBondContact O-OG1 3.41Å; A983-N987 WeakPolarHBondContact O-CB 3.36Å; A983-N987 PolarHBondContact O-N 3.02Å
984	L	97	Very high	96.8	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-67.1	-20.2	179	-70.2	174.1	0	0	0	113.8	L980 A981 T986 M990 L993 L1008 A1011 N1015	L980-L984 WeakPolarHBondContact O-CG 3.4Å; L980-L984 PolarHBondContact O-N 3.19Å; A981-L984 PolarHBondContact O-N 3.3Å; L984-T986 PolarHBondContact O-N 3.21Å; L984-M990 HydrophobicContact CD2-CB 4.11Å; L984-M990 HydrophobicContact CD2-CG 4.19Å; L984-L993 HydrophobicContact CD1-CD2 3.92Å; L984-L1008 HydrophobicContact CD1-CD2 4.1Å; L984-A1011 HydrophobicContact CB-CB 4.14Å; L984-N1015 PolarHBondContact O-ND2 2.89Å
985	L	95.4	Very high	96.9	Very high	81 Å²	81	33.3 Å²	33.3	42%	0.424	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-32.2	174.6	-67.9	172.4	0	0	0	112.6	A981 H982 A983 A1011 T1014	A981-L985 PolarHBondContact O-N 3.33Å; H982-L985 WeakPolarHBondContact O-CB 3.5Å; H982-L985 PolarHBondContact O-N 3.04Å; A983-L985 PolarHBondContact O-N 3.43Å; L985-A1011 HydrophobicContact CD2-CB 4.11Å; L985-A1011 HydrophobicContact CG-CB 4.38Å; L985-T1014 VanDerWaalsContact CD2-OG1 3.28Å; L985-T1014 WeakPolarHBondContact CD2-OG1 3.21Å
986	T	92.6	Very high	97	Very high	67 Å²	67	31.7 Å²	31.7	41%	0.411	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-17.4	-176.6	58.6	0	0	0	0	113.6	K957 R960 A983 L984	K957-T986 WeakPolarHBondContact CG-OG1 3.38Å; R960-T986 PolarHBondContact NH1-O 3.32Å; R960-T986 VanDerWaalsContact NH1-O 3.09Å; A983-T986 PolarHBondContact O-N 3.48Å; A983-T986 PolarHBondContact O-OG1 3.41Å; L984-T986 PolarHBondContact O-N 3.21Å
987	N	95.3	Very high	96.9	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.027	19%	0.187	C	C	.	.			trans	-74.9	133.1	175.6	-174.2	-78.6	0	0	0	110.3	V956 N959 A983 T989 M990 N1015	V956-N987 HydrophobicContact CG1-CB 4.36Å; V956-N987 PolarHBondContact O-ND2 3.02Å; N959-N987 PolarHBondContact O-ND2 3.05Å; A983-N987 WeakPolarHBondContact O-CB 3.36Å; A983-N987 PolarHBondContact O-N 3.02Å; N987-T989 PolarHBondContact ND2-OG1 3.12Å; N987-T989 PolarHBondContact OD1-N 3.17Å; N987-T989 PolarHBondContact OD1-OG1 3.3Å; N987-M990 VanDerWaalsContact OD1-CB 3.3Å; N987-M990 WeakPolarHBondContact OD1-CB 3.39Å; N987-M990 PolarHBondContact OD1-N 3.09Å; N987-N1015 PolarHBondContact O-ND2 3.35Å
988	S	94.1	Very high	96.9	Very high	64 Å²	64	35.8 Å²	35.8	45%	0.448	19%	0.189	S	C	.	.			trans	-122.8	11.6	-175.9	62.9	0	0	0	0	113	R960 S1017	R960-S988 PolarHBondContact NH1-OG 2.89Å; R960-S988 VanDerWaalsContact NH1-OG 3.1Å; S988-S1017 VanDerWaalsContact O-CB 3.25Å; S988-S1017 WeakPolarHBondContact O-CB 3.32Å
989	T	96.3	Very high	96.7	Very high	28 Å²	28	34.6 Å²	34.6	17%	0.172	20%	0.196	C	C	.	.	S	Bend	trans	-119.5	-25.7	-174.9	63.1	0	0	0	0	113.2	R960 L962 N987 Q991	R960-T989 HydrophobicContact CB-CG2 4.3Å; R960-T989 WeakPolarHBondContact O-CG2 3.44Å; L962-T989 PolarHBondContact O-OG1 2.92Å; L962-T989 VanDerWaalsContact O-OG1 3.05Å; N987-T989 PolarHBondContact ND2-OG1 3.12Å; N987-T989 PolarHBondContact OD1-N 3.17Å; N987-T989 PolarHBondContact OD1-OG1 3.3Å; T989-Q991 PolarHBondContact O-N 3.41Å
990	M	97.4	Very high	96.6	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	18%	0.183	C	C	.	.			trans	-64.9	121.1	179.2	-167	66.4	65.6	0	0	109.9	V956 L962 L965 L984 N987 S1017 L1018	V956-M990 HydrophobicContact CG1-CE 3.74Å; V956-M990 HydrophobicContact CG2-CE 3.97Å; L962-M990 HydrophobicContact CB-CE 4.49Å; L962-M990 HydrophobicContact CD2-CE 3.9Å; L962-M990 HydrophobicContact CG-CE 4.15Å; L965-M990 HydrophobicContact CB-CE 3.97Å; L965-M990 HydrophobicContact CB-SD 3.89Å; L965-M990 HydrophobicContact CD2-CE 4.34Å; L984-M990 HydrophobicContact CD2-CB 4.11Å; L984-M990 HydrophobicContact CD2-CG 4.19Å; N987-M990 VanDerWaalsContact OD1-CB 3.3Å; N987-M990 WeakPolarHBondContact OD1-CB 3.39Å; N987-M990 PolarHBondContact OD1-N 3.09Å; M990-S1017 CarbonylContact O-C 3.53Å; M990-S1017 WeakPolarHBondContact O-CB 3.28Å; M990-S1017 PolarHBondContact O-OG 2.93Å; M990-L1018 HydrophobicContact CB-CD1 4.44Å; M990-L1018 HydrophobicContact CG-CD1 3.86Å; M990-L1018 WeakPolarHBondContact O-CA 3.39Å; M990-L1018 PolarHBondContact O-N 3.04Å
991	Q	98.1	Very high	96.5	Very high	102 Å²	102	33.8 Å²	33.8	48%	0.477	19%	0.193	S	C	.	.			trans	-108.5	-36	-179.4	-70.1	177.1	-15.7	0	0	111.9	T963 T989 C1019 T1020	T963-Q991 WeakPolarHBondContact O-CA 3.39Å; T963-Q991 PolarHBondContact O-N 2.91Å; T989-Q991 PolarHBondContact O-N 3.41Å; Q991-C1019 PolarHBondContact O-N 3.2Å; Q991-T1020 PolarHBondContact O-N 2.93Å
992	L	98.6	Very high	96.3	Very high	35 Å²	35	36.2 Å²	36.2	18%	0.183	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.4	178.9	-172.9	158.8	0	0	0	110.8	T963 T964 L965 R966 D994 T1020	T963-L992 PolarHBondContact O-N 3.31Å; T964-L992 WeakPolarHBondContact CA-O 3.34Å; T964-L992 HydrophobicContact CG2-CB 4.15Å; T964-L992 HydrophobicContact CG2-CD1 4.43Å; T964-L992 HydrophobicContact CG2-CD2 3.95Å; T964-L992 HydrophobicContact CG2-CG 4.39Å; L965-L992 PolarHBondContact N-O 3.11Å; R966-L992 HydrophobicContact CG-CD2 4.22Å; L992-D994 HydrophobicContact CD2-CB 4Å; L992-T1020 WeakPolarHBondContact CA-O 3.47Å; L992-T1020 HydrophobicContact CD1-CG2 4.06Å; L992-T1020 HydrophobicContact CG-CG2 3.99Å
993	L	98.4	Very high	96.2	Very high	3 Å²	3	37 Å²	37	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	119.7	170.4	179.9	60.3	0	0	0	109.8	L965 L984 L995 L1008 L1018 T1020 L1021 C1022	L965-L993 HydrophobicContact CB-CD1 4.33Å; L965-L993 HydrophobicContact CD2-CD1 4.29Å; L965-L993 HydrophobicContact CG-CD1 4.34Å; L984-L993 HydrophobicContact CD1-CD2 3.92Å; L993-L995 HydrophobicContact CD1-CD2 4.33Å; L993-L995 HydrophobicContact CD1-CG 4.14Å; L993-L995 HydrophobicContact CD2-CD1 3.9Å; L993-L995 HydrophobicContact CD2-CG 4.37Å; L993-L995 HydrophobicContact CG-CD1 4.06Å; L993-L995 HydrophobicContact CG-CG 4Å; L993-L1008 HydrophobicContact CD2-CD2 4.43Å; L993-L1018 HydrophobicContact CB-CD1 3.94Å; L993-L1018 HydrophobicContact CB-CD2 4.49Å; L993-T1020 PolarHBondContact N-O 2.82Å; L993-L1021 HydrophobicContact CB-CD1 4.22Å; L993-L1021 HydrophobicContact CD2-CD1 4.34Å; L993-L1021 HydrophobicContact CG-CD1 4.32Å; L993-L1021 WeakPolarHBondContact O-CA 3.25Å; L993-C1022 PolarHBondContact O-N 3.33Å
994	D	98.4	Very high	96.2	Very high	12 Å²	12	37 Å²	37	6%	0.064	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.4	178	-174.4	-12.6	0	0	0	110.1	L965 R966 L967 L992 Q996 C1022	L965-D994 PolarHBondContact O-N 3.48Å; R966-D994 HydrophobicContact CB-CB 4.13Å; R966-D994 HydrophobicContact CG-CB 3.89Å; L967-D994 WeakPolarHBondContact CA-O 3.28Å; L967-D994 PolarHBondContact N-O 3.39Å; L992-D994 HydrophobicContact CD2-CB 4Å; D994-Q996 WeakPolarHBondContact OD1-CB 3.21Å; D994-Q996 WeakPolarHBondContact OD1-CG 3.37Å; D994-Q996 PolarHBondContact OD1-N 2.98Å; D994-Q996 VanDerWaalsContact OD1-N 3.08Å; D994-Q996 PolarHBondContact OD1-NE2 2.97Å; D994-Q996 PolarHBondContact OD2-NE2 2.84Å; D994-C1022 HydrophobicContact CB-CB 4.29Å
995	L	98	Very high	96.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.208	C	C	.	.			trans	-123.8	16.5	-178.7	-67	169	0	0	0	112.2	L967 I972 L980 L993 N998 I1000 L1008 C1022 L1023 V1026	L967-L995 HydrophobicContact CB-CD2 3.97Å; L967-L995 HydrophobicContact CD1-CD2 4.04Å; I972-L995 HydrophobicContact CD1-CD2 4.03Å; L980-L995 HydrophobicContact CD1-CD1 4.25Å; L980-L995 HydrophobicContact CD1-CD2 3.69Å; L993-L995 HydrophobicContact CD1-CD2 4.33Å; L993-L995 HydrophobicContact CD1-CG 4.14Å; L993-L995 HydrophobicContact CD2-CD1 3.9Å; L993-L995 HydrophobicContact CD2-CG 4.37Å; L993-L995 HydrophobicContact CG-CD1 4.06Å; L993-L995 HydrophobicContact CG-CG 4Å; L995-N998 PolarHBondContact O-ND2 3.15Å; L995-I1000 HydrophobicContact CB-CD1 3.82Å; L995-I1000 HydrophobicContact CD1-CD1 4.28Å; L995-L1008 HydrophobicContact CD1-CD1 3.82Å; L995-L1008 HydrophobicContact CD1-CD2 4.5Å; L995-C1022 PolarHBondContact N-O 3.22Å; L995-L1023 HydrophobicContact CB-CD2 4.05Å; L995-L1023 HydrophobicContact CD1-CD2 4.23Å; L995-V1026 VanDerWaalsContact O-CG1 3.32Å; L995-V1026 WeakPolarHBondContact O-CG1 3.47Å
996	Q	96.9	Very high	96.3	Very high	23 Å²	23	35.3 Å²	35.3	11%	0.107	20%	0.203	C	C	.	.			trans	-52.5	149.8	-173.4	-66.2	174.7	84	0	0	112.4	Q968 W969 D994 N998 C1022 Q1024	Q968-Q996 VanDerWaalsContact CA-O 3.23Å; Q968-Q996 WeakPolarHBondContact CA-O 3.46Å; Q968-Q996 HydrophobicContact CB-CB 4.21Å; Q968-Q996 HydrophobicContact CG-CB 4.03Å; Q968-Q996 WeakPolarHBondContact CG-O 3.29Å; W969-Q996 PolarHBondContact N-O 3.06Å; D994-Q996 WeakPolarHBondContact OD1-CB 3.21Å; D994-Q996 WeakPolarHBondContact OD1-CG 3.37Å; D994-Q996 PolarHBondContact OD1-N 2.98Å; D994-Q996 VanDerWaalsContact OD1-N 3.08Å; D994-Q996 PolarHBondContact OD1-NE2 2.97Å; D994-Q996 PolarHBondContact OD2-NE2 2.84Å; Q996-N998 VanDerWaalsContact C-N 3.33Å; Q996-N998 PolarHBondContact O-N 3.38Å; Q996-N998 PolarHBondContact O-ND2 2.84Å; Q996-N998 VanDerWaalsContact O-ND2 3.1Å; Q996-C1022 HydrophobicContact CG-CB 3.66Å; Q996-Q1024 CarbonylContact C-O 3.43Å; Q996-Q1024 WeakPolarHBondContact CA-O 3.49Å; Q996-Q1024 HydrophobicContact CB-CB 4.13Å; Q996-Q1024 HydrophobicContact CG-CB 3.76Å
997	E	96.1	Very high	96.6	Very high	77 Å²	77	33.4 Å²	33.4	36%	0.36	19%	0.194	S	C	.	.	S	Bend	trans	53.8	51.2	168	-62.2	-75.2	166.2	0	0	111.7	Q968 W969 Q1024	Q968-E997 HydrophobicContact CG-CB 4.42Å; W969-E997 HydrophobicContact CG-CB 4.42Å; E997-Q1024 PolarHBondContact N-O 2.99Å; E997-Q1024 PolarHBondContact OE1-NE2 3.22Å
998	N	96.8	Very high	96.7	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.043	19%	0.193	C	C	.	.	S	Bend	trans	-127.2	152.8	173.8	-80.7	-69.9	0	0	0	108.6	L967 N970 F971 I972 L995 Q996 I1000 V1026	L967-N998 PolarHBondContact O-ND2 2.8Å; N970-N998 PolarHBondContact N-OD1 2.94Å; F971-N998 PolarHBondContact N-OD1 3.28Å; I972-N998 HydrophobicContact CB-CB 3.88Å; I972-N998 WeakPolarHBondContact CB-OD1 3.5Å; I972-N998 WeakPolarHBondContact CG1-OD1 3.36Å; I972-N998 PolarHBondContact N-OD1 2.8Å; L995-N998 PolarHBondContact O-ND2 3.15Å; Q996-N998 VanDerWaalsContact C-N 3.33Å; Q996-N998 PolarHBondContact O-N 3.38Å; Q996-N998 PolarHBondContact O-ND2 2.84Å; Q996-N998 VanDerWaalsContact O-ND2 3.1Å; N998-I1000 HydrophobicContact CB-CD1 4.28Å; N998-I1000 HydrophobicContact CB-CG1 3.84Å; N998-I1000 PolarHBondContact O-N 2.96Å; N998-V1026 WeakPolarHBondContact O-CA 3.43Å
999	A	93.9	Very high	96.9	Very high	64 Å²	64	30.2 Å²	30.2	53%	0.529	17%	0.172	S	C	.	.			trans	-81.4	51.6	-178.1	0	0	0	0	0	113	I972 K973	I972-A999 CarbonylContact O-C 3.57Å; I972-A999 WeakPolarHBondContact O-CA 3.49Å; I972-A999 PolarHBondContact O-N 3.37Å; K973-A999 WeakPolarHBondContact CA-O 3Å; K973-A999 HydrophobicContact CG-CB 4.47Å
1000	I	95.8	Very high	96.9	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.015	18%	0.182	C	C	.	.			trans	-67.2	-45.8	-171.2	-58.4	-178.6	0	0	0	111.9	I972 C974 T977 L995 N998 V1005 L1023 V1026	I972-I1000 PolarHBondContact O-N 3.18Å; C974-I1000 WeakPolarHBondContact CA-O 3.23Å; C974-I1000 VanDerWaalsContact CB-O 3.25Å; C974-I1000 WeakPolarHBondContact CB-O 3.35Å; C974-I1000 PolarHBondContact N-O 2.99Å; T977-I1000 HydrophobicContact CG2-CG2 3.76Å; T977-I1000 WeakPolarHBondContact OG1-CG2 3.38Å; L995-I1000 HydrophobicContact CB-CD1 3.82Å; L995-I1000 HydrophobicContact CD1-CD1 4.28Å; N998-I1000 HydrophobicContact CB-CD1 4.28Å; N998-I1000 HydrophobicContact CB-CG1 3.84Å; N998-I1000 PolarHBondContact O-N 2.96Å; I1000-V1005 HydrophobicContact CG2-CG2 4.21Å; I1000-L1023 HydrophobicContact CD1-CD2 4.36Å; I1000-V1026 HydrophobicContact CB-CB 3.99Å; I1000-V1026 HydrophobicContact CB-CG2 4.45Å; I1000-V1026 HydrophobicContact CD1-CB 3.78Å; I1000-V1026 HydrophobicContact CD1-CG1 3.67Å; I1000-V1026 HydrophobicContact CD1-CG2 4.34Å; I1000-V1026 HydrophobicContact CG1-CB 3.98Å; I1000-V1026 HydrophobicContact CG1-CG1 4.24Å; I1000-V1026 PolarHBondContact N-O 3.14Å
1001	G	94.6	Very high	96.9	Very high	22 Å²	22	30.8 Å²	30.8	23%	0.227	18%	0.183	C	C	.	.	H	α-helix	trans	73.5	165.8	-175.6	0	0	0	0	0	114.1	E1003 G1004 V1005 V1026 S1027	G1001-E1003 VanDerWaalsContact C-N 3.29Å; G1001-E1003 PolarHBondContact O-N 3.16Å; G1001-G1004 PolarHBondContact O-N 3.15Å; G1001-G1004 VanDerWaalsContact O-N 3.12Å; G1001-V1005 PolarHBondContact O-N 2.92Å; G1001-V1026 PolarHBondContact N-O 3.29Å; G1001-S1027 CarbonylContact C-O 3.33Å; G1001-S1027 VanDerWaalsContact CA-O 3.24Å; G1001-S1027 WeakPolarHBondContact CA-O 3.3Å
1002	D	93.6	Very high	96.8	Very high	57 Å²	57	26.1 Å²	26.1	31%	0.305	16%	0.161	S	C	.	.	H	α-helix	trans	-49	-46.4	179.7	-65.2	38.9	0	0	0	112.4	G1004 V1005 V1006 S1027 A1028 G1029 S1031	D1002-G1004 VanDerWaalsContact C-N 3.3Å; D1002-G1004 PolarHBondContact O-N 2.95Å; D1002-V1005 PolarHBondContact O-N 3.35Å; D1002-V1005 VanDerWaalsContact O-N 3.14Å; D1002-V1006 WeakPolarHBondContact O-CG2 3.32Å; D1002-V1006 PolarHBondContact O-N 3.21Å; D1002-S1027 PolarHBondContact N-O 3.03Å; D1002-A1028 WeakPolarHBondContact CA-O 3.34Å; D1002-A1028 VanDerWaalsContact OD1-C 3.22Å; D1002-G1029 WeakPolarHBondContact OD1-CA 3.32Å; D1002-G1029 PolarHBondContact OD1-N 2.97Å; D1002-S1031 WeakPolarHBondContact OD2-CB 3.11Å; D1002-S1031 PolarHBondContact OD2-N 3.48Å
1003	E	95.1	Very high	96.7	Very high	117 Å²	117	28.3 Å²	28.3	55%	0.547	17%	0.17	S	C	.	.	H	α-helix	trans	-58.9	-38	-177.7	-68.5	-170.1	-173.8	0	0	113.9	C974 K978 G1001 A1007	C974-E1003 HydrophobicContact CB-CB 4.15Å; K978-E1003 IonicContact NZ-OE2 3.84Å; K978-E1003 PolarHBondContact NZ-OE2 3.46Å; G1001-E1003 VanDerWaalsContact C-N 3.29Å; G1001-E1003 PolarHBondContact O-N 3.16Å; E1003-A1007 PolarHBondContact O-N 3.05Å
1004	G	96.6	Very high	96.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-72.2	-38.4	178.8	0	0	0	0	0	111.4	T977 G1001 D1002 A1007 L1008	T977-G1004 VanDerWaalsContact CG2-O 3.32Å; T977-G1004 WeakPolarHBondContact CG2-O 3.49Å; G1001-G1004 PolarHBondContact O-N 3.15Å; G1001-G1004 VanDerWaalsContact O-N 3.12Å; D1002-G1004 VanDerWaalsContact C-N 3.3Å; D1002-G1004 PolarHBondContact O-N 2.95Å; G1004-A1007 PolarHBondContact O-N 3.02Å; G1004-L1008 PolarHBondContact O-N 3.3Å; G1004-L1008 VanDerWaalsContact O-N 3.12Å
1005	V	97.8	Very high	96.4	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.3	-42	175.7	178.6	0	0	0	0	111	I1000 G1001 D1002 A1007 L1008 A1009 L1023 V1026 A1028 M1036	I1000-V1005 HydrophobicContact CG2-CG2 4.21Å; G1001-V1005 PolarHBondContact O-N 2.92Å; D1002-V1005 PolarHBondContact O-N 3.35Å; D1002-V1005 VanDerWaalsContact O-N 3.14Å; V1005-A1007 PolarHBondContact O-N 3.19Å; V1005-L1008 PolarHBondContact O-N 3.32Å; V1005-L1008 VanDerWaalsContact O-N 3.14Å; V1005-A1009 PolarHBondContact O-N 2.79Å; V1005-L1023 HydrophobicContact CG1-CD1 4.36Å; V1005-V1026 HydrophobicContact CG2-CG2 3.78Å; V1005-A1028 HydrophobicContact CB-CB 4.24Å; V1005-A1028 HydrophobicContact CG1-CB 4.09Å; V1005-A1028 HydrophobicContact CG2-CB 3.72Å; V1005-M1036 HydrophobicContact CG1-CE 3.59Å; V1005-M1036 HydrophobicContact CG1-CG 3.75Å; V1005-M1036 VanDerWaalsContact O-CE 3.26Å; V1005-M1036 WeakPolarHBondContact O-CE 3.25Å
1006	V	98.1	Very high	96.2	Very high	53 Å²	53	37 Å²	37	32%	0.321	22%	0.224	S	C	.	.	H	α-helix	trans	-55.2	-42.5	173.6	172.5	0	0	0	0	110.9	D1002 A1009 G1010	D1002-V1006 WeakPolarHBondContact O-CG2 3.32Å; D1002-V1006 PolarHBondContact O-N 3.21Å; V1006-A1009 PolarHBondContact O-N 2.74Å; V1006-G1010 PolarHBondContact O-N 2.95Å
1007	A	97.8	Very high	96.1	Very high	27 Å²	27	36.6 Å²	36.6	22%	0.223	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-44.6	177	0	0	0	0	0	112.5	K978 A981 E1003 G1004 V1005 A1009 G1010 A1011	K978-A1007 HydrophobicContact CB-CB 4.41Å; K978-A1007 HydrophobicContact CG-CB 3.74Å; A981-A1007 HydrophobicContact CB-CB 3.95Å; A981-A1007 WeakPolarHBondContact CB-O 3.35Å; E1003-A1007 PolarHBondContact O-N 3.05Å; G1004-A1007 PolarHBondContact O-N 3.02Å; V1005-A1007 PolarHBondContact O-N 3.19Å; A1007-A1009 VanDerWaalsContact C-N 3.33Å; A1007-A1009 PolarHBondContact O-N 2.93Å; A1007-G1010 PolarHBondContact O-N 2.89Å; A1007-A1011 PolarHBondContact O-N 2.56Å; A1007-A1011 VanDerWaalsContact O-N 3.09Å
1008	L	97.9	Very high	96.2	Very high	1 Å²	1	33 Å²	33	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-42.9	175.2	-72.7	171.4	0	0	0	111.7	T977 A981 L984 L993 L995 G1004 V1005 G1010 A1011 L1012 L1023 M1036	T977-L1008 HydrophobicContact CG2-CD1 3.48Å; T977-L1008 VanDerWaalsContact CG2-CD1 3.48Å; T977-L1008 HydrophobicContact CG2-CD2 4.07Å; T977-L1008 HydrophobicContact CG2-CG 3.52Å; A981-L1008 HydrophobicContact CB-CD2 4.15Å; L984-L1008 HydrophobicContact CD1-CD2 4.1Å; L993-L1008 HydrophobicContact CD2-CD2 4.43Å; L995-L1008 HydrophobicContact CD1-CD1 3.82Å; L995-L1008 HydrophobicContact CD1-CD2 4.5Å; G1004-L1008 PolarHBondContact O-N 3.3Å; G1004-L1008 VanDerWaalsContact O-N 3.12Å; V1005-L1008 PolarHBondContact O-N 3.32Å; V1005-L1008 VanDerWaalsContact O-N 3.14Å; L1008-G1010 VanDerWaalsContact C-N 3.3Å; L1008-G1010 PolarHBondContact O-N 3.03Å; L1008-A1011 PolarHBondContact O-N 3.38Å; L1008-A1011 VanDerWaalsContact O-N 3.12Å; L1008-L1012 WeakPolarHBondContact O-CG 3.43Å; L1008-L1012 PolarHBondContact O-N 3.1Å; L1008-L1023 HydrophobicContact CD1-CD1 4.43Å; L1008-L1023 HydrophobicContact CD1-CD2 3.85Å; L1008-M1036 HydrophobicContact CB-CE 3.61Å
1009	A	97.6	Very high	96.3	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-59.7	-42.3	176.3	0	0	0	0	0	111.5	V1005 V1006 A1007 A1011 L1012 K1013 S1035 M1036 A1039	V1005-A1009 PolarHBondContact O-N 2.79Å; V1006-A1009 PolarHBondContact O-N 2.74Å; A1007-A1009 VanDerWaalsContact C-N 3.33Å; A1007-A1009 PolarHBondContact O-N 2.93Å; A1009-A1011 VanDerWaalsContact C-N 3.31Å; A1009-A1011 PolarHBondContact O-N 3.39Å; A1009-L1012 PolarHBondContact O-N 2.93Å; A1009-K1013 PolarHBondContact O-N 3.43Å; A1009-S1035 VanDerWaalsContact CB-C 3.46Å; A1009-S1035 WeakPolarHBondContact CB-O 3.42Å; A1009-M1036 HydrophobicContact CB-CE 3.75Å; A1009-M1036 HydrophobicContact CB-CG 4.28Å; A1009-M1036 HydrophobicContact CB-SD 3.9Å; A1009-M1036 VanDerWaalsContact N-CE 3.3Å; A1009-A1039 HydrophobicContact CB-CB 4.09Å; A1009-A1039 VanDerWaalsContact O-CB 3.26Å; A1009-A1039 WeakPolarHBondContact O-CB 3.45Å
1010	G	97.3	Very high	96.5	Very high	38 Å²	38	32.8 Å²	32.8	39%	0.392	20%	0.2	S	C	.	.	H	α-helix	trans	-57.1	-43.2	173.3	0	0	0	0	0	112.6	V1006 A1007 L1008	V1006-G1010 PolarHBondContact O-N 2.95Å; A1007-G1010 PolarHBondContact O-N 2.89Å; L1008-G1010 VanDerWaalsContact C-N 3.3Å; L1008-G1010 PolarHBondContact O-N 3.03Å
1011	A	97.3	Very high	96.6	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-67.2	-42.1	177.2	0	0	0	0	0	112.8	A981 L984 L985 A1007 L1008 A1009 K1013 T1014 N1015	A981-A1011 HydrophobicContact CB-CB 4.07Å; A981-A1011 WeakPolarHBondContact O-CB 3.46Å; L984-A1011 HydrophobicContact CB-CB 4.14Å; L985-A1011 HydrophobicContact CD2-CB 4.11Å; L985-A1011 HydrophobicContact CG-CB 4.38Å; A1007-A1011 PolarHBondContact O-N 2.56Å; A1007-A1011 VanDerWaalsContact O-N 3.09Å; L1008-A1011 PolarHBondContact O-N 3.38Å; L1008-A1011 VanDerWaalsContact O-N 3.12Å; A1009-A1011 VanDerWaalsContact C-N 3.31Å; A1009-A1011 PolarHBondContact O-N 3.39Å; A1011-K1013 PolarHBondContact O-N 3.31Å; A1011-T1014 PolarHBondContact O-N 3.32Å; A1011-T1014 PolarHBondContact O-OG1 3.11Å; A1011-T1014 VanDerWaalsContact O-OG1 3.11Å; A1011-N1015 PolarHBondContact O-N 2.7Å
1012	L	96.9	Very high	96.8	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-59.4	-28.3	178.9	-75	176.3	0	0	0	113.9	L1008 A1009 T1014 L1018 L1021 M1036 A1039 N1043 L1046	L1008-L1012 WeakPolarHBondContact O-CG 3.43Å; L1008-L1012 PolarHBondContact O-N 3.1Å; A1009-L1012 PolarHBondContact O-N 2.93Å; L1012-T1014 PolarHBondContact O-N 3.08Å; L1012-T1014 VanDerWaalsContact O-N 3.15Å; L1012-L1018 HydrophobicContact CD2-CB 4.42Å; L1012-L1018 HydrophobicContact CD2-CD2 3.77Å; L1012-L1021 HydrophobicContact CD1-CD2 3.74Å; L1012-M1036 HydrophobicContact CD1-CE 4.15Å; L1012-M1036 HydrophobicContact CD1-SD 3.69Å; L1012-A1039 HydrophobicContact CB-CB 3.95Å; L1012-N1043 PolarHBondContact O-ND2 3.01Å; L1012-L1046 HydrophobicContact CD1-CD2 4.49Å
1013	K	96.1	Very high	96.9	Very high	82 Å²	82	29.7 Å²	29.7	36%	0.357	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-26.2	175.2	-71.9	176.6	-178.6	-177.6	0	112.5	A1009 A1011 E1038 A1039	A1009-K1013 PolarHBondContact O-N 3.43Å; A1011-K1013 PolarHBondContact O-N 3.31Å; K1013-E1038 IonicContact NZ-OE2 2.68Å; K1013-E1038 PolarHBondContact NZ-OE2 3.31Å; K1013-A1039 HydrophobicContact CG-CB 4.06Å
1014	T	94.1	Very high	97	Very high	84 Å²	84	25.2 Å²	25.2	52%	0.515	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-24.5	-177.3	59.9	0	0	0	0	114	L985 A1011 L1012 T1016	L985-T1014 VanDerWaalsContact CD2-OG1 3.28Å; L985-T1014 WeakPolarHBondContact CD2-OG1 3.21Å; A1011-T1014 PolarHBondContact O-N 3.32Å; A1011-T1014 PolarHBondContact O-OG1 3.11Å; A1011-T1014 VanDerWaalsContact O-OG1 3.11Å; L1012-T1014 PolarHBondContact O-N 3.08Å; L1012-T1014 VanDerWaalsContact O-N 3.15Å; T1014-T1016 WeakPolarHBondContact O-CG2 3.25Å
1015	N	95.4	Very high	97	Very high	7 Å²	7	26.1 Å²	26.1	4%	0.037	17%	0.167	C	C	.	.			trans	-64.5	136.5	179.8	-178.1	-88.7	0	0	0	111.6	L984 N987 A1011 S1017 L1018 N1043	L984-N1015 PolarHBondContact O-ND2 2.89Å; N987-N1015 PolarHBondContact O-ND2 3.35Å; A1011-N1015 PolarHBondContact O-N 2.7Å; N1015-S1017 PolarHBondContact ND2-OG 2.85Å; N1015-S1017 PolarHBondContact OD1-N 3.42Å; N1015-S1017 PolarHBondContact OD1-OG 2.82Å; N1015-L1018 WeakPolarHBondContact OD1-CB 3.26Å; N1015-L1018 PolarHBondContact OD1-N 3.49Å; N1015-N1043 PolarHBondContact O-ND2 2.94Å
1016	T	93.9	Very high	96.9	Very high	107 Å²	107	26.1 Å²	26.1	66%	0.656	17%	0.167	S	C	*	.	S	Bend	trans	-118.5	14.4	-175.2	64.2	0	0	0	0	113.6	T1014 T1045	T1014-T1016 WeakPolarHBondContact O-CG2 3.25Å; T1016-T1045 WeakPolarHBondContact O-CG2 3.45Å
1017	S	96.3	Very high	96.8	Very high	14 Å²	14	26.5 Å²	26.5	10%	0.098	17%	0.172	C	C	.	.	S	Bend	trans	-124.6	-29.8	-175.4	66.8	0	0	0	0	113.9	S988 M990 N1015 C1019	S988-S1017 VanDerWaalsContact O-CB 3.25Å; S988-S1017 WeakPolarHBondContact O-CB 3.32Å; M990-S1017 CarbonylContact O-C 3.53Å; M990-S1017 WeakPolarHBondContact O-CB 3.28Å; M990-S1017 PolarHBondContact O-OG 2.93Å; N1015-S1017 PolarHBondContact ND2-OG 2.85Å; N1015-S1017 PolarHBondContact OD1-N 3.42Å; N1015-S1017 PolarHBondContact OD1-OG 2.82Å; S1017-C1019 PolarHBondContact O-N 3Å
1018	L	97.6	Very high	96.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.162	C	C	.	.			trans	-72.6	123.6	-174.2	-159.8	75.8	0	0	0	110.3	M990 L993 L1012 N1015 L1021 T1045 L1046	M990-L1018 HydrophobicContact CB-CD1 4.44Å; M990-L1018 HydrophobicContact CG-CD1 3.86Å; M990-L1018 WeakPolarHBondContact O-CA 3.39Å; M990-L1018 PolarHBondContact O-N 3.04Å; L993-L1018 HydrophobicContact CB-CD1 3.94Å; L993-L1018 HydrophobicContact CB-CD2 4.49Å; L1012-L1018 HydrophobicContact CD2-CB 4.42Å; L1012-L1018 HydrophobicContact CD2-CD2 3.77Å; N1015-L1018 WeakPolarHBondContact OD1-CB 3.26Å; N1015-L1018 PolarHBondContact OD1-N 3.49Å; L1018-L1021 HydrophobicContact CD2-CB 4.02Å; L1018-L1021 HydrophobicContact CD2-CD1 4.31Å; L1018-T1045 CarbonylContact O-C 3.5Å; L1018-T1045 VanDerWaalsContact O-C 3.26Å; L1018-T1045 PolarHBondContact O-OG1 3.21Å; L1018-L1046 HydrophobicContact CD2-CD1 4.39Å; L1018-L1046 HydrophobicContact CG-CD1 4.44Å; L1018-L1046 PolarHBondContact O-N 3.12Å
1019	C	97.8	Very high	96.4	Very high	36 Å²	36	25.6 Å²	25.6	24%	0.243	17%	0.166	C	C	.	.			trans	-108.6	-28.4	180	-64.8	0	0	0	0	112.7	Q991 S1017 T1045 H1047 T1048	Q991-C1019 PolarHBondContact O-N 3.2Å; S1017-C1019 PolarHBondContact O-N 3Å; C1019-T1045 WeakPolarHBondContact CA-O 3.48Å; C1019-T1045 PolarHBondContact SG-O 3.26Å; C1019-H1047 PolarHBondContact O-N 2.81Å; C1019-T1048 PolarHBondContact O-N 3.14Å
1020	T	98.4	Very high	96.3	Very high	33 Å²	33	33 Å²	33	20%	0.202	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	125.7	-178.5	-56.7	0	0	0	0	110.2	Q991 L992 L993 T1048	Q991-T1020 PolarHBondContact O-N 2.93Å; L992-T1020 WeakPolarHBondContact CA-O 3.47Å; L992-T1020 HydrophobicContact CD1-CG2 4.06Å; L992-T1020 HydrophobicContact CG-CG2 3.99Å; L993-T1020 PolarHBondContact N-O 2.82Å; T1020-T1048 WeakPolarHBondContact CA-O 3.44Å; T1020-T1048 HydrophobicContact CG2-CG2 4.14Å
1021	L	98.3	Very high	96.2	Very high	1 Å²	1	34 Å²	34	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	119.2	174.5	179.1	58.9	0	0	0	109.6	L993 L1012 L1018 L1023 M1036 L1046 T1048 L1049 D1050	L993-L1021 HydrophobicContact CB-CD1 4.22Å; L993-L1021 HydrophobicContact CD2-CD1 4.34Å; L993-L1021 HydrophobicContact CG-CD1 4.32Å; L993-L1021 WeakPolarHBondContact O-CA 3.25Å; L1012-L1021 HydrophobicContact CD1-CD2 3.74Å; L1018-L1021 HydrophobicContact CD2-CB 4.02Å; L1018-L1021 HydrophobicContact CD2-CD1 4.31Å; L1021-L1023 HydrophobicContact CD1-CD1 4.46Å; L1021-L1023 HydrophobicContact CD1-CD2 4.21Å; L1021-L1023 HydrophobicContact CD1-CG 4.11Å; L1021-L1023 HydrophobicContact CD2-CD1 3.85Å; L1021-L1023 HydrophobicContact CD2-CG 4.33Å; L1021-L1023 HydrophobicContact CG-CD1 3.99Å; L1021-L1023 HydrophobicContact CG-CG 3.93Å; L1021-M1036 HydrophobicContact CD2-CE 4.22Å; L1021-M1036 HydrophobicContact CD2-SD 4.47Å; L1021-L1046 HydrophobicContact CB-CD1 3.9Å; L1021-T1048 PolarHBondContact N-O 3.32Å; L1021-L1049 HydrophobicContact CB-CD1 4.27Å; L1021-L1049 HydrophobicContact CD2-CD1 4.32Å; L1021-L1049 HydrophobicContact CG-CD1 4.33Å; L1021-D1050 PolarHBondContact O-N 3.14Å
1022	C	98.3	Very high	96.1	Very high	16 Å²	16	33.9 Å²	33.9	11%	0.108	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.6	179.2	-53.7	0	0	0	0	110.8	L993 D994 L995 Q996 D1050	L993-C1022 PolarHBondContact O-N 3.33Å; D994-C1022 HydrophobicContact CB-CB 4.29Å; L995-C1022 PolarHBondContact N-O 3.22Å; Q996-C1022 HydrophobicContact CG-CB 3.66Å; C1022-D1050 HydrophobicContact CB-CB 4.34Å
1023	L	97.6	Very high	96.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.			trans	-133.4	27	-174.2	-66.6	175.7	0	0	0	111.9	L995 I1000 V1005 L1008 L1021 G1025 V1026 M1036 D1050 L1051 N1054	L995-L1023 HydrophobicContact CB-CD2 4.05Å; L995-L1023 HydrophobicContact CD1-CD2 4.23Å; I1000-L1023 HydrophobicContact CD1-CD2 4.36Å; V1005-L1023 HydrophobicContact CG1-CD1 4.36Å; L1008-L1023 HydrophobicContact CD1-CD1 4.43Å; L1008-L1023 HydrophobicContact CD1-CD2 3.85Å; L1021-L1023 HydrophobicContact CD1-CD1 4.46Å; L1021-L1023 HydrophobicContact CD1-CD2 4.21Å; L1021-L1023 HydrophobicContact CD1-CG 4.11Å; L1021-L1023 HydrophobicContact CD2-CD1 3.85Å; L1021-L1023 HydrophobicContact CD2-CG 4.33Å; L1021-L1023 HydrophobicContact CG-CD1 3.99Å; L1021-L1023 HydrophobicContact CG-CG 3.93Å; L1023-G1025 PolarHBondContact O-N 3Å; L1023-V1026 HydrophobicContact CB-CG1 4.35Å; L1023-V1026 HydrophobicContact CB-CG2 3.94Å; L1023-V1026 HydrophobicContact CD2-CG1 4.36Å; L1023-V1026 HydrophobicContact CD2-CG2 4.29Å; L1023-V1026 WeakPolarHBondContact O-CG1 3.49Å; L1023-V1026 VanDerWaalsContact O-CG2 3.29Å; L1023-V1026 WeakPolarHBondContact O-CG2 3.44Å; L1023-M1036 HydrophobicContact CD1-CE 3.97Å; L1023-D1050 CarbonylContact C-O 3.23Å; L1023-D1050 WeakPolarHBondContact CA-O 3.34Å; L1023-D1050 WeakPolarHBondContact CB-O 3.41Å; L1023-D1050 PolarHBondContact N-O 3.3Å; L1023-L1051 HydrophobicContact CB-CD2 4.07Å; L1023-L1051 HydrophobicContact CD1-CD2 4.11Å; L1023-N1054 PolarHBondContact O-ND2 3.09Å; L1023-N1054 PolarHBondContact O-OD1 3.03Å
1024	Q	96.6	Very high	96.2	Very high	23 Å²	23	32.6 Å²	32.6	11%	0.107	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	137.2	173.2	172	-172.8	-16	0	0	111.8	Q996 E997 V1026 R1052	Q996-Q1024 CarbonylContact C-O 3.43Å; Q996-Q1024 WeakPolarHBondContact CA-O 3.49Å; Q996-Q1024 HydrophobicContact CB-CB 4.13Å; Q996-Q1024 HydrophobicContact CG-CB 3.76Å; E997-Q1024 PolarHBondContact N-O 2.99Å; E997-Q1024 PolarHBondContact OE1-NE2 3.22Å; Q1024-V1026 WeakPolarHBondContact O-CG1 3.37Å; Q1024-V1026 PolarHBondContact O-N 3.04Å; Q1024-V1026 VanDerWaalsContact O-N 3.07Å; Q1024-R1052 CarbonylContact C-O 3.34Å; Q1024-R1052 WeakPolarHBondContact CA-O 3.26Å; Q1024-R1052 HydrophobicContact CB-CB 4.15Å; Q1024-R1052 HydrophobicContact CG-CB 3.94Å; Q1024-R1052 HydrophobicContact CG-CG 4.08Å; Q1024-R1052 WeakPolarHBondContact CG-O 3.42Å; Q1024-R1052 VanDerWaalsContact OE1-CZ 3.22Å
1025	G	95.6	Very high	96.4	Very high	18 Å²	18	29.5 Å²	29.5	19%	0.186	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	19.8	165.5	0	0	0	0	0	113.7	L1023 S1027 R1052 G1053	L1023-G1025 PolarHBondContact O-N 3Å; G1025-S1027 VanDerWaalsContact C-N 3.27Å; G1025-S1027 PolarHBondContact O-N 3.46Å; G1025-R1052 PolarHBondContact N-O 3.42Å; G1025-G1053 WeakPolarHBondContact CA-O 3.34Å
1026	V	96.8	Very high	96.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-88.3	3.6	-176.5	-54	0	0	0	0	114	L995 N998 I1000 G1001 V1005 L1023 Q1024 A1028 N1054	L995-V1026 VanDerWaalsContact O-CG1 3.32Å; L995-V1026 WeakPolarHBondContact O-CG1 3.47Å; N998-V1026 WeakPolarHBondContact O-CA 3.43Å; I1000-V1026 HydrophobicContact CB-CB 3.99Å; I1000-V1026 HydrophobicContact CB-CG2 4.45Å; I1000-V1026 HydrophobicContact CD1-CB 3.78Å; I1000-V1026 HydrophobicContact CD1-CG1 3.67Å; I1000-V1026 HydrophobicContact CD1-CG2 4.34Å; I1000-V1026 HydrophobicContact CG1-CB 3.98Å; I1000-V1026 HydrophobicContact CG1-CG1 4.24Å; I1000-V1026 PolarHBondContact N-O 3.14Å; G1001-V1026 PolarHBondContact N-O 3.29Å; V1005-V1026 HydrophobicContact CG2-CG2 3.78Å; L1023-V1026 HydrophobicContact CB-CG1 4.35Å; L1023-V1026 HydrophobicContact CB-CG2 3.94Å; L1023-V1026 HydrophobicContact CD2-CG1 4.36Å; L1023-V1026 HydrophobicContact CD2-CG2 4.29Å; L1023-V1026 WeakPolarHBondContact O-CG1 3.49Å; L1023-V1026 VanDerWaalsContact O-CG2 3.29Å; L1023-V1026 WeakPolarHBondContact O-CG2 3.44Å; Q1024-V1026 WeakPolarHBondContact O-CG1 3.37Å; Q1024-V1026 PolarHBondContact O-N 3.04Å; Q1024-V1026 VanDerWaalsContact O-N 3.07Å; V1026-A1028 HydrophobicContact CG2-CB 4.14Å; V1026-N1054 WeakPolarHBondContact CG2-OD1 3.37Å; V1026-N1054 PolarHBondContact N-OD1 3.37Å
1027	S	94.8	Very high	96.6	Very high	61 Å²	61	24.2 Å²	24.2	43%	0.427	14%	0.14	S	C	.	.			trans	56.3	48.5	-171.7	-52.5	0	0	0	0	111.7	G1001 D1002 G1025 G1029 N1054	G1001-S1027 CarbonylContact C-O 3.33Å; G1001-S1027 VanDerWaalsContact CA-O 3.24Å; G1001-S1027 WeakPolarHBondContact CA-O 3.3Å; D1002-S1027 PolarHBondContact N-O 3.03Å; G1025-S1027 VanDerWaalsContact C-N 3.27Å; G1025-S1027 PolarHBondContact O-N 3.46Å; S1027-G1029 PolarHBondContact O-N 3.39Å; S1027-N1054 PolarHBondContact N-OD1 3.47Å; S1027-N1054 VanDerWaalsContact N-OD1 3.09Å
1028	A	94.8	Very high	96.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.154	C	C	.	.			trans	-62.8	-28.6	-180	0	0	0	0	0	113.5	D1002 V1005 V1026 G1032 N1054	D1002-A1028 WeakPolarHBondContact CA-O 3.34Å; D1002-A1028 VanDerWaalsContact OD1-C 3.22Å; V1005-A1028 HydrophobicContact CB-CB 4.24Å; V1005-A1028 HydrophobicContact CG1-CB 4.09Å; V1005-A1028 HydrophobicContact CG2-CB 3.72Å; V1026-A1028 HydrophobicContact CG2-CB 4.14Å; A1028-G1032 VanDerWaalsContact O-CA 3.23Å; A1028-G1032 WeakPolarHBondContact O-CA 3.44Å; A1028-G1032 PolarHBondContact O-N 2.85Å; A1028-G1032 VanDerWaalsContact O-N 3.09Å; A1028-N1054 HydrophobicContact CB-CB 3.86Å; A1028-N1054 WeakPolarHBondContact CB-OD1 3.38Å; A1028-N1054 PolarHBondContact N-OD1 3.02Å
1029	G	93.9	Very high	96.6	Very high	10 Å²	10	27.5 Å²	27.5	10%	0.103	15%	0.154	C	C	.	.	H	α-helix	trans	59.3	-171	179.8	0	0	0	0	0	113.6	D1002 S1027 A1033 N1054	D1002-G1029 WeakPolarHBondContact OD1-CA 3.32Å; D1002-G1029 PolarHBondContact OD1-N 2.97Å; S1027-G1029 PolarHBondContact O-N 3.39Å; G1029-A1033 WeakPolarHBondContact O-CB 3.35Å; G1029-A1033 PolarHBondContact O-N 2.84Å; G1029-N1054 WeakPolarHBondContact CA-O 3.34Å; G1029-N1054 PolarHBondContact N-O 3.45Å
1030	R	94.8	Very high	96.6	Very high	157 Å²	157	26 Å²	26	59%	0.592	14%	0.144	S	C	*	.	H	α-helix	trans	-65.3	-42.5	177.9	174.3	-177.5	54.1	-177.7	-7.5	111.8	A1033 I1034 E1059	R1030-A1033 PolarHBondContact O-N 2.84Å; R1030-I1034 HydrophobicContact CG-CD1 3.84Å; R1030-I1034 VanDerWaalsContact O-CG1 3.31Å; R1030-I1034 WeakPolarHBondContact O-CG1 3.5Å; R1030-I1034 PolarHBondContact O-N 3.41Å; R1030-E1059 HydrophobicContact CG-CB 4.26Å
1031	S	95.3	Very high	96.4	Very high	59 Å²	59	28.5 Å²	28.5	41%	0.413	15%	0.154	S	C	.	.	H	α-helix	trans	-70.9	-40.5	-173.3	-176.8	0	0	0	0	111.9	D1002 I1034 S1035	D1002-S1031 WeakPolarHBondContact OD2-CB 3.11Å; D1002-S1031 PolarHBondContact OD2-N 3.48Å; S1031-I1034 PolarHBondContact O-N 3.16Å; S1031-S1035 PolarHBondContact O-N 3.22Å; S1031-S1035 VanDerWaalsContact O-N 3.1Å; S1031-S1035 PolarHBondContact O-OG 2.94Å; S1031-S1035 VanDerWaalsContact O-OG 3.09Å
1032	G	96	Very high	96.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-41.6	174.3	0	0	0	0	0	112.1	A1028 S1035 M1036	A1028-G1032 VanDerWaalsContact O-CA 3.23Å; A1028-G1032 WeakPolarHBondContact O-CA 3.44Å; A1028-G1032 PolarHBondContact O-N 2.85Å; A1028-G1032 VanDerWaalsContact O-N 3.09Å; G1032-S1035 PolarHBondContact O-N 3.34Å; G1032-M1036 WeakPolarHBondContact O-CG 3.22Å; G1032-M1036 PolarHBondContact O-N 3.16Å
1033	A	96.4	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65	-42.2	177.7	0	0	0	0	0	113.6	G1029 R1030 S1035 M1036 A1037 I1056	G1029-A1033 WeakPolarHBondContact O-CB 3.35Å; G1029-A1033 PolarHBondContact O-N 2.84Å; R1030-A1033 PolarHBondContact O-N 2.84Å; A1033-S1035 VanDerWaalsContact C-N 3.32Å; A1033-S1035 PolarHBondContact O-N 2.77Å; A1033-M1036 PolarHBondContact O-N 2.84Å; A1033-A1037 PolarHBondContact O-N 2.98Å; A1033-I1056 HydrophobicContact CB-CB 4.19Å; A1033-I1056 HydrophobicContact CB-CD1 4.49Å; A1033-I1056 HydrophobicContact CB-CG1 3.93Å; A1033-I1056 HydrophobicContact CB-CG2 3.51Å
1034	I	97.6	Very high	95.9	Very high	58 Å²	58	37.8 Å²	37.8	30%	0.297	20%	0.2	S	C	.	.	H	α-helix	trans	-59.8	-45.8	174.7	-69.1	167.4	0	0	0	110	R1030 S1031 M1036 A1037 E1038 A1063	R1030-I1034 HydrophobicContact CG-CD1 3.84Å; R1030-I1034 VanDerWaalsContact O-CG1 3.31Å; R1030-I1034 WeakPolarHBondContact O-CG1 3.5Å; R1030-I1034 PolarHBondContact O-N 3.41Å; S1031-I1034 PolarHBondContact O-N 3.16Å; I1034-M1036 VanDerWaalsContact C-N 3.35Å; I1034-M1036 PolarHBondContact O-N 3.37Å; I1034-A1037 WeakPolarHBondContact O-CB 3.38Å; I1034-A1037 PolarHBondContact O-N 3.4Å; I1034-E1038 PolarHBondContact O-N 3.32Å; I1034-A1063 HydrophobicContact CB-CB 4.35Å; I1034-A1063 HydrophobicContact CG1-CB 3.91Å
1035	S	97.7	Very high	95.9	Very high	19 Å²	19	38 Å²	38	13%	0.133	20%	0.203	C	C	.	.	H	α-helix	trans	-64.4	-39.7	178.8	-60.3	0	0	0	0	112.1	A1009 S1031 G1032 A1033 A1037 E1038 A1039	A1009-S1035 VanDerWaalsContact CB-C 3.46Å; A1009-S1035 WeakPolarHBondContact CB-O 3.42Å; S1031-S1035 PolarHBondContact O-N 3.22Å; S1031-S1035 VanDerWaalsContact O-N 3.1Å; S1031-S1035 PolarHBondContact O-OG 2.94Å; S1031-S1035 VanDerWaalsContact O-OG 3.09Å; G1032-S1035 PolarHBondContact O-N 3.34Å; A1033-S1035 VanDerWaalsContact C-N 3.32Å; A1033-S1035 PolarHBondContact O-N 2.77Å; S1035-A1037 VanDerWaalsContact C-N 3.34Å; S1035-E1038 WeakPolarHBondContact O-CB 3.36Å; S1035-E1038 PolarHBondContact O-N 3.26Å; S1035-A1039 PolarHBondContact O-N 2.83Å
1036	M	97.8	Very high	96	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-61.9	-41.6	173.8	-77.9	-65.3	161.9	0	0	111.9	V1005 L1008 A1009 L1012 L1021 L1023 G1032 A1033 I1034 E1038 A1039 L1040	V1005-M1036 HydrophobicContact CG1-CE 3.59Å; V1005-M1036 HydrophobicContact CG1-CG 3.75Å; V1005-M1036 VanDerWaalsContact O-CE 3.26Å; V1005-M1036 WeakPolarHBondContact O-CE 3.25Å; L1008-M1036 HydrophobicContact CB-CE 3.61Å; A1009-M1036 HydrophobicContact CB-CE 3.75Å; A1009-M1036 HydrophobicContact CB-CG 4.28Å; A1009-M1036 HydrophobicContact CB-SD 3.9Å; A1009-M1036 VanDerWaalsContact N-CE 3.3Å; L1012-M1036 HydrophobicContact CD1-CE 4.15Å; L1012-M1036 HydrophobicContact CD1-SD 3.69Å; L1021-M1036 HydrophobicContact CD2-CE 4.22Å; L1021-M1036 HydrophobicContact CD2-SD 4.47Å; L1023-M1036 HydrophobicContact CD1-CE 3.97Å; G1032-M1036 WeakPolarHBondContact O-CG 3.22Å; G1032-M1036 PolarHBondContact O-N 3.16Å; A1033-M1036 PolarHBondContact O-N 2.84Å; I1034-M1036 VanDerWaalsContact C-N 3.35Å; I1034-M1036 PolarHBondContact O-N 3.37Å; M1036-E1038 VanDerWaalsContact C-N 3.33Å; M1036-E1038 PolarHBondContact O-N 3.27Å; M1036-A1039 WeakPolarHBondContact O-CB 3.43Å; M1036-A1039 PolarHBondContact O-N 2.93Å; M1036-A1039 VanDerWaalsContact O-N 3.16Å; M1036-L1040 WeakPolarHBondContact O-CG 3.45Å; M1036-L1040 PolarHBondContact O-N 2.79Å
1037	A	97.1	Very high	95.9	Very high	3 Å²	3	40.2 Å²	40.2	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-43.6	174.2	0	0	0	0	0	111.9	A1033 I1034 S1035 A1039 L1040 M1041 A1063 L1064 A1067	A1033-A1037 PolarHBondContact O-N 2.98Å; I1034-A1037 WeakPolarHBondContact O-CB 3.38Å; I1034-A1037 PolarHBondContact O-N 3.4Å; S1035-A1037 VanDerWaalsContact C-N 3.34Å; A1037-A1039 VanDerWaalsContact C-N 3.3Å; A1037-A1039 PolarHBondContact O-N 3.33Å; A1037-L1040 PolarHBondContact O-N 3.26Å; A1037-M1041 PolarHBondContact O-N 3.42Å; A1037-A1063 VanDerWaalsContact CB-C 3.4Å; A1037-A1063 HydrophobicContact CB-CB 3.78Å; A1037-A1063 WeakPolarHBondContact CB-O 3.39Å; A1037-L1064 HydrophobicContact CB-CD2 4.03Å; A1037-L1064 HydrophobicContact CB-CG 4.29Å; A1037-A1067 HydrophobicContact CB-CB 3.99Å; A1037-A1067 WeakPolarHBondContact O-CB 3.29Å
1038	E	96.7	Very high	96.1	Very high	82 Å²	82	39.4 Å²	39.4	38%	0.383	20%	0.201	S	C	.	.	H	α-helix	trans	-60.6	-40	173.9	-67.7	179.4	-174.9	0	0	113	K1013 I1034 S1035 M1036 M1041	K1013-E1038 IonicContact NZ-OE2 2.68Å; K1013-E1038 PolarHBondContact NZ-OE2 3.31Å; I1034-E1038 PolarHBondContact O-N 3.32Å; S1035-E1038 WeakPolarHBondContact O-CB 3.36Å; S1035-E1038 PolarHBondContact O-N 3.26Å; M1036-E1038 VanDerWaalsContact C-N 3.33Å; M1036-E1038 PolarHBondContact O-N 3.27Å; E1038-M1041 HydrophobicContact CB-CE 4.28Å; E1038-M1041 HydrophobicContact CG-CE 4.2Å; E1038-M1041 PolarHBondContact O-N 3.35Å
1039	A	97.3	Very high	96.2	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-63.5	-42.9	176.7	0	0	0	0	0	111.6	A1009 L1012 K1013 S1035 M1036 A1037 M1041 V1042 N1043	A1009-A1039 HydrophobicContact CB-CB 4.09Å; A1009-A1039 VanDerWaalsContact O-CB 3.26Å; A1009-A1039 WeakPolarHBondContact O-CB 3.45Å; L1012-A1039 HydrophobicContact CB-CB 3.95Å; K1013-A1039 HydrophobicContact CG-CB 4.06Å; S1035-A1039 PolarHBondContact O-N 2.83Å; M1036-A1039 WeakPolarHBondContact O-CB 3.43Å; M1036-A1039 PolarHBondContact O-N 2.93Å; M1036-A1039 VanDerWaalsContact O-N 3.16Å; A1037-A1039 VanDerWaalsContact C-N 3.3Å; A1037-A1039 PolarHBondContact O-N 3.33Å; A1039-M1041 VanDerWaalsContact C-N 3.28Å; A1039-M1041 PolarHBondContact O-N 2.91Å; A1039-V1042 PolarHBondContact O-N 3.43Å; A1039-V1042 VanDerWaalsContact O-N 3.16Å; A1039-N1043 VanDerWaalsContact O-CB 3.25Å; A1039-N1043 WeakPolarHBondContact O-CB 3.37Å; A1039-N1043 PolarHBondContact O-N 2.74Å
1040	L	96.5	Very high	96.4	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-62.3	-30	178.3	-72.5	174	0	0	0	113.4	M1036 A1037 V1042 L1046 L1049 L1064 A1067 N1071 L1074	M1036-L1040 WeakPolarHBondContact O-CG 3.45Å; M1036-L1040 PolarHBondContact O-N 2.79Å; A1037-L1040 PolarHBondContact O-N 3.26Å; L1040-V1042 PolarHBondContact O-N 2.88Å; L1040-L1046 HydrophobicContact CD2-CD2 3.92Å; L1040-L1049 HydrophobicContact CD1-CD2 3.91Å; L1040-L1049 HydrophobicContact CD2-CD2 4.47Å; L1040-L1064 HydrophobicContact CD1-CD2 4.03Å; L1040-A1067 HydrophobicContact CB-CB 4.01Å; L1040-N1071 PolarHBondContact O-ND2 3.48Å; L1040-L1074 HydrophobicContact CD1-CD2 4.32Å; L1040-L1074 HydrophobicContact CD2-CD1 4.36Å; L1040-L1074 HydrophobicContact CD2-CD2 4.44Å
1041	M	94.9	Very high	96.5	Very high	85 Å²	85	32.6 Å²	32.6	42%	0.419	17%	0.174	S	C	.	.	H	α-helix	trans	-61.9	-35.3	176.4	-69.4	-167.4	-76.4	0	0	112.1	A1037 E1038 A1039 K1044 A1067	A1037-M1041 PolarHBondContact O-N 3.42Å; E1038-M1041 HydrophobicContact CB-CE 4.28Å; E1038-M1041 HydrophobicContact CG-CE 4.2Å; E1038-M1041 PolarHBondContact O-N 3.35Å; A1039-M1041 VanDerWaalsContact C-N 3.28Å; A1039-M1041 PolarHBondContact O-N 2.91Å; M1041-K1044 PolarHBondContact O-NZ 2.73Å; M1041-K1044 VanDerWaalsContact O-NZ 3.14Å; M1041-A1067 HydrophobicContact CG-CB 3.92Å
1042	V	95.2	Very high	96.6	Very high	86 Å²	86	33.3 Å²	33.3	52%	0.521	17%	0.167	S	C	.	.	H	α-helix	trans	-97.9	-42.2	-175.9	-173.9	0	0	0	0	112	A1039 L1040 K1044	A1039-V1042 PolarHBondContact O-N 3.43Å; A1039-V1042 VanDerWaalsContact O-N 3.16Å; L1040-V1042 PolarHBondContact O-N 2.88Å; V1042-K1044 VanDerWaalsContact O-CE 3.28Å; V1042-K1044 WeakPolarHBondContact O-CE 3.18Å; V1042-K1044 WeakPolarHBondContact O-CG 3.13Å
1043	N	95.5	Very high	96.5	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.032	18%	0.176	C	C	.	.			trans	-62.1	137.5	-176.8	-177.1	-85	0	0	0	111.4	L1012 N1015 A1039 T1045 L1046 N1071	L1012-N1043 PolarHBondContact O-ND2 3.01Å; N1015-N1043 PolarHBondContact O-ND2 2.94Å; A1039-N1043 VanDerWaalsContact O-CB 3.25Å; A1039-N1043 WeakPolarHBondContact O-CB 3.37Å; A1039-N1043 PolarHBondContact O-N 2.74Å; N1043-T1045 PolarHBondContact ND2-OG1 2.73Å; N1043-T1045 PolarHBondContact OD1-N 2.8Å; N1043-T1045 PolarHBondContact OD1-OG1 3.09Å; N1043-L1046 WeakPolarHBondContact OD1-CB 3.26Å; N1043-L1046 PolarHBondContact OD1-N 2.87Å; N1043-N1071 PolarHBondContact O-ND2 3.07Å
1044	K	93.4	Very high	96.6	Very high	120 Å²	120	34.1 Å²	34.1	52%	0.522	18%	0.176	S	C	.	.	S	Bend	trans	-121.1	14.3	-177.5	-54.5	-58.6	173.4	-156.7	0	113.7	M1041 V1042 T1073	M1041-K1044 PolarHBondContact O-NZ 2.73Å; M1041-K1044 VanDerWaalsContact O-NZ 3.14Å; V1042-K1044 VanDerWaalsContact O-CE 3.28Å; V1042-K1044 WeakPolarHBondContact O-CE 3.18Å; V1042-K1044 WeakPolarHBondContact O-CG 3.13Å; K1044-T1073 HydrophobicContact CB-CG2 4.18Å; K1044-T1073 HydrophobicContact CD-CG2 4.36Å; K1044-T1073 WeakPolarHBondContact O-CG2 3.27Å
1045	T	95.4	Very high	96.4	Very high	28 Å²	28	38.2 Å²	38.2	17%	0.172	19%	0.192	C	C	.	.	S	Bend	trans	-125.5	-22.1	-172	63.1	0	0	0	0	113.6	T1016 L1018 C1019 N1043 H1047	T1016-T1045 WeakPolarHBondContact O-CG2 3.45Å; L1018-T1045 CarbonylContact O-C 3.5Å; L1018-T1045 VanDerWaalsContact O-C 3.26Å; L1018-T1045 PolarHBondContact O-OG1 3.21Å; C1019-T1045 WeakPolarHBondContact CA-O 3.48Å; C1019-T1045 PolarHBondContact SG-O 3.26Å; N1043-T1045 PolarHBondContact ND2-OG1 2.73Å; N1043-T1045 PolarHBondContact OD1-N 2.8Å; N1043-T1045 PolarHBondContact OD1-OG1 3.09Å; T1045-H1047 PolarHBondContact O-CE1 3.31Å; T1045-H1047 PolarHBondContact O-N 3.12Å; T1045-H1047 PolarHBondContact O-ND1 2.95Å
1046	L	97.1	Very high	96.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.185	C	C	.	.			trans	-75.8	121.3	179.5	-161.7	73.2	0	0	0	110	L1012 L1018 L1021 L1040 N1043 L1049 T1073 L1074	L1012-L1046 HydrophobicContact CD1-CD2 4.49Å; L1018-L1046 HydrophobicContact CD2-CD1 4.39Å; L1018-L1046 HydrophobicContact CG-CD1 4.44Å; L1018-L1046 PolarHBondContact O-N 3.12Å; L1021-L1046 HydrophobicContact CB-CD1 3.9Å; L1040-L1046 HydrophobicContact CD2-CD2 3.92Å; N1043-L1046 WeakPolarHBondContact OD1-CB 3.26Å; N1043-L1046 PolarHBondContact OD1-N 2.87Å; L1046-L1049 HydrophobicContact CD2-CB 4.07Å; L1046-L1049 HydrophobicContact CD2-CD1 4.33Å; L1046-L1049 HydrophobicContact CD2-CD2 4.5Å; L1046-T1073 CarbonylContact O-C 3.51Å; L1046-T1073 PolarHBondContact O-OG1 3.03Å; L1046-L1074 HydrophobicContact CD2-CD1 4.49Å; L1046-L1074 HydrophobicContact CG-CD1 4.41Å; L1046-L1074 WeakPolarHBondContact O-CA 3.47Å; L1046-L1074 PolarHBondContact O-N 3.39Å
1047	H	96.8	Very high	96.1	Very high	64 Å²	64	38.2 Å²	38.2	30%	0.296	20%	0.195	S	C	.	.			trans	-105.7	-33	-179.9	-64.2	89.2	0	0	0	111.9	C1019 T1045 T1073 K1075 S1076	C1019-H1047 PolarHBondContact O-N 2.81Å; T1045-H1047 PolarHBondContact O-CE1 3.31Å; T1045-H1047 PolarHBondContact O-N 3.12Å; T1045-H1047 PolarHBondContact O-ND1 2.95Å; H1047-T1073 PolarHBondContact CD2-O 2.76Å; H1047-K1075 PolarHBondContact O-N 3.45Å; H1047-S1076 PolarHBondContact O-N 2.89Å
1048	T	97.8	Very high	96	Very high	44 Å²	44	41.3 Å²	41.3	27%	0.27	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	126.9	-178.5	-56.6	0	0	0	0	110.1	C1019 T1020 L1021 S1076	C1019-T1048 PolarHBondContact O-N 3.14Å; T1020-T1048 WeakPolarHBondContact CA-O 3.44Å; T1020-T1048 HydrophobicContact CG2-CG2 4.14Å; L1021-T1048 PolarHBondContact N-O 3.32Å; T1048-S1076 WeakPolarHBondContact CA-O 3.39Å
1049	L	97.8	Very high	95.9	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	119	173.8	178	59	0	0	0	109.5	L1021 L1040 L1046 L1051 L1074 S1076 L1077 N1078	L1021-L1049 HydrophobicContact CB-CD1 4.27Å; L1021-L1049 HydrophobicContact CD2-CD1 4.32Å; L1021-L1049 HydrophobicContact CG-CD1 4.33Å; L1040-L1049 HydrophobicContact CD1-CD2 3.91Å; L1040-L1049 HydrophobicContact CD2-CD2 4.47Å; L1046-L1049 HydrophobicContact CD2-CB 4.07Å; L1046-L1049 HydrophobicContact CD2-CD1 4.33Å; L1046-L1049 HydrophobicContact CD2-CD2 4.5Å; L1049-L1051 HydrophobicContact CD1-CD2 4.32Å; L1049-L1051 HydrophobicContact CD1-CG 4.07Å; L1049-L1051 HydrophobicContact CD2-CD1 3.81Å; L1049-L1051 HydrophobicContact CD2-CG 4.23Å; L1049-L1051 HydrophobicContact CG-CD1 4.07Å; L1049-L1051 HydrophobicContact CG-CG 3.93Å; L1049-L1074 HydrophobicContact CB-CD1 3.91Å; L1049-S1076 PolarHBondContact N-O 2.69Å; L1049-L1077 HydrophobicContact CB-CD1 4.11Å; L1049-L1077 HydrophobicContact CD2-CD1 4.1Å; L1049-L1077 HydrophobicContact CG-CD1 4.13Å; L1049-L1077 WeakPolarHBondContact O-CA 3.31Å; L1049-N1078 PolarHBondContact O-N 2.83Å
1050	D	97.6	Very high	95.8	Very high	23 Å²	23	41 Å²	41	12%	0.123	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	115.7	173.1	-171.2	-13.6	0	0	0	110.1	L1021 C1022 L1023 R1052 N1078	L1021-D1050 PolarHBondContact O-N 3.14Å; C1022-D1050 HydrophobicContact CB-CB 4.34Å; L1023-D1050 CarbonylContact C-O 3.23Å; L1023-D1050 WeakPolarHBondContact CA-O 3.34Å; L1023-D1050 WeakPolarHBondContact CB-O 3.41Å; L1023-D1050 PolarHBondContact N-O 3.3Å; D1050-R1052 VanDerWaalsContact OD1-CB 3.27Å; D1050-R1052 WeakPolarHBondContact OD1-CB 3.38Å; D1050-R1052 PolarHBondContact OD1-N 2.89Å; D1050-N1078 HydrophobicContact CB-CB 4.36Å
1051	L	97.1	Very high	95.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.207	C	C	.	.			trans	-120.5	24.1	176.5	-68.6	169.2	0	0	0	111.8	L1023 L1049 N1054 I1056 L1064 N1078 L1079 N1082	L1023-L1051 HydrophobicContact CB-CD2 4.07Å; L1023-L1051 HydrophobicContact CD1-CD2 4.11Å; L1049-L1051 HydrophobicContact CD1-CD2 4.32Å; L1049-L1051 HydrophobicContact CD1-CG 4.07Å; L1049-L1051 HydrophobicContact CD2-CD1 3.81Å; L1049-L1051 HydrophobicContact CD2-CG 4.23Å; L1049-L1051 HydrophobicContact CG-CD1 4.07Å; L1049-L1051 HydrophobicContact CG-CG 3.93Å; L1051-N1054 PolarHBondContact O-ND2 3.33Å; L1051-I1056 HydrophobicContact CB-CD1 3.83Å; L1051-I1056 HydrophobicContact CD1-CD1 4.17Å; L1051-L1064 HydrophobicContact CD1-CD1 4.14Å; L1051-L1064 HydrophobicContact CD1-CD2 4.34Å; L1051-N1078 CarbonylContact C-O 3.46Å; L1051-N1078 PolarHBondContact N-O 3.45Å; L1051-L1079 HydrophobicContact CB-CD2 4.16Å; L1051-L1079 HydrophobicContact CD1-CD2 4.22Å; L1051-N1082 PolarHBondContact O-ND2 2.87Å; L1051-N1082 PolarHBondContact O-OD1 3.46Å
1052	R	96.4	Very high	95.8	Very high	73 Å²	73	40.6 Å²	40.6	28%	0.275	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	141.8	179.9	175.5	167.9	70.6	170.2	4.9	113	Q1024 G1025 D1050 N1054 Q1080	Q1024-R1052 CarbonylContact C-O 3.34Å; Q1024-R1052 WeakPolarHBondContact CA-O 3.26Å; Q1024-R1052 HydrophobicContact CB-CB 4.15Å; Q1024-R1052 HydrophobicContact CG-CB 3.94Å; Q1024-R1052 HydrophobicContact CG-CG 4.08Å; Q1024-R1052 WeakPolarHBondContact CG-O 3.42Å; Q1024-R1052 VanDerWaalsContact OE1-CZ 3.22Å; G1025-R1052 PolarHBondContact N-O 3.42Å; D1050-R1052 VanDerWaalsContact OD1-CB 3.27Å; D1050-R1052 WeakPolarHBondContact OD1-CB 3.38Å; D1050-R1052 PolarHBondContact OD1-N 2.89Å; R1052-N1054 PolarHBondContact O-N 3.2Å; R1052-N1054 PolarHBondContact O-ND2 3.1Å; R1052-N1054 VanDerWaalsContact O-ND2 3.09Å; R1052-Q1080 CarbonylContact C-O 3.5Å; R1052-Q1080 VanDerWaalsContact CA-O 3.23Å; R1052-Q1080 WeakPolarHBondContact CA-O 3.45Å; R1052-Q1080 HydrophobicContact CB-CB 4.36Å; R1052-Q1080 HydrophobicContact CG-CB 3.86Å; R1052-Q1080 HydrophobicContact CG-CG 4.12Å; R1052-Q1080 WeakPolarHBondContact CG-O 3.35Å
1053	G	95.3	Very high	95.9	Very high	17 Å²	17	37.4 Å²	37.4	18%	0.175	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	33.1	168.3	0	0	0	0	0	115.4	G1025 Q1080 E1081	G1025-G1053 WeakPolarHBondContact CA-O 3.34Å; G1053-Q1080 PolarHBondContact N-O 2.93Å; G1053-E1081 WeakPolarHBondContact CA-O 3.18Å; G1053-E1081 PolarHBondContact N-O 2.96Å
1054	N	96.7	Very high	95.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-111.9	4.1	-172.7	-83.5	-65.9	0	0	0	115.6	L1023 V1026 S1027 A1028 G1029 L1051 R1052 I1056 N1082	L1023-N1054 PolarHBondContact O-ND2 3.09Å; L1023-N1054 PolarHBondContact O-OD1 3.03Å; V1026-N1054 WeakPolarHBondContact CG2-OD1 3.37Å; V1026-N1054 PolarHBondContact N-OD1 3.37Å; S1027-N1054 PolarHBondContact N-OD1 3.47Å; S1027-N1054 VanDerWaalsContact N-OD1 3.09Å; A1028-N1054 HydrophobicContact CB-CB 3.86Å; A1028-N1054 WeakPolarHBondContact CB-OD1 3.38Å; A1028-N1054 PolarHBondContact N-OD1 3.02Å; G1029-N1054 WeakPolarHBondContact CA-O 3.34Å; G1029-N1054 PolarHBondContact N-O 3.45Å; L1051-N1054 PolarHBondContact O-ND2 3.33Å; R1052-N1054 PolarHBondContact O-N 3.2Å; R1052-N1054 PolarHBondContact O-ND2 3.1Å; R1052-N1054 VanDerWaalsContact O-ND2 3.09Å; N1054-I1056 VanDerWaalsContact C-N 3.26Å; N1054-I1056 HydrophobicContact CB-CG1 4.05Å; N1054-I1056 PolarHBondContact O-N 3.3Å; N1054-N1082 WeakPolarHBondContact CA-OD1 3.4Å; N1054-N1082 WeakPolarHBondContact CB-OD1 3.48Å; N1054-N1082 PolarHBondContact N-OD1 2.9Å
1055	F	93.9	Very high	96	Very high	144 Å²	144	31.5 Å²	31.5	63%	0.632	16%	0.161	S	C	*	.			trans	53.2	42.5	-177.7	-53	-78.2	0	0	0	113.1	G1057 N1082	F1055-G1057 VanDerWaalsContact C-N 3.27Å; F1055-G1057 PolarHBondContact O-N 3.02Å; F1055-N1082 PolarHBondContact N-OD1 2.98Å
1056	I	95.3	Very high	95.9	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.171	C	C	.	.			trans	-58.9	-38.1	-177.9	-67	168.7	0	0	0	112.2	A1033 L1051 N1054 G1060 L1064 L1079 N1082 L1084	A1033-I1056 HydrophobicContact CB-CB 4.19Å; A1033-I1056 HydrophobicContact CB-CD1 4.49Å; A1033-I1056 HydrophobicContact CB-CG1 3.93Å; A1033-I1056 HydrophobicContact CB-CG2 3.51Å; L1051-I1056 HydrophobicContact CB-CD1 3.83Å; L1051-I1056 HydrophobicContact CD1-CD1 4.17Å; N1054-I1056 VanDerWaalsContact C-N 3.26Å; N1054-I1056 HydrophobicContact CB-CG1 4.05Å; N1054-I1056 PolarHBondContact O-N 3.3Å; I1056-G1060 VanDerWaalsContact CG2-C 3.49Å; I1056-G1060 VanDerWaalsContact CG2-CA 3.49Å; I1056-L1064 HydrophobicContact CD1-CD1 4.31Å; I1056-L1064 HydrophobicContact CG2-CD1 4.37Å; I1056-L1079 HydrophobicContact CD1-CD2 3.68Å; I1056-N1082 HydrophobicContact CB-CB 4.05Å; I1056-N1082 HydrophobicContact CD1-CB 4.06Å; I1056-N1082 VanDerWaalsContact CD1-OD1 3.25Å; I1056-N1082 WeakPolarHBondContact CD1-OD1 3.35Å; I1056-N1082 HydrophobicContact CG1-CB 4.23Å; I1056-N1082 WeakPolarHBondContact CG1-OD1 3.44Å; I1056-N1082 PolarHBondContact N-O 3.26Å; I1056-N1082 PolarHBondContact N-OD1 3.07Å; I1056-L1084 HydrophobicContact CB-CD2 4.22Å; I1056-L1084 HydrophobicContact CG2-CD2 4.19Å
1057	G	94.3	Very high	95.8	Very high	20 Å²	20	33.6 Å²	33.6	21%	0.206	17%	0.171	C	C	.	.	H	α-helix	trans	68.2	176.5	-177.7	0	0	0	0	0	114.4	F1055 E1059 G1060 A1061 N1082	F1055-G1057 VanDerWaalsContact C-N 3.27Å; F1055-G1057 PolarHBondContact O-N 3.02Å; G1057-E1059 PolarHBondContact O-N 2.88Å; G1057-G1060 PolarHBondContact O-N 3.38Å; G1057-A1061 PolarHBondContact O-N 3.13Å; G1057-N1082 PolarHBondContact N-O 3.2Å
1058	M	94.7	Very high	95.6	Very high	67 Å²	67	30.6 Å²	30.6	33%	0.33	16%	0.157	S	C	.	.	H	α-helix	trans	-58.2	-45.6	-176	176.8	-87.6	-74.7	0	0	113.4	G1060 A1061 K1062 L1084 D1087 F1091	M1058-G1060 VanDerWaalsContact C-N 3.34Å; M1058-G1060 PolarHBondContact O-N 3.14Å; M1058-A1061 WeakPolarHBondContact O-CB 3.44Å; M1058-A1061 PolarHBondContact O-N 3.34Å; M1058-K1062 PolarHBondContact O-N 3.45Å; M1058-L1084 WeakPolarHBondContact CA-O 3.43Å; M1058-L1084 WeakPolarHBondContact CB-O 3.49Å; M1058-D1087 HydrophobicContact CG-CB 3.95Å; M1058-F1091 HydrophobicContact CG-CE2 4.26Å; M1058-F1091 HydrophobicContact SD-CE2 3.85Å
1059	E	94.3	Very high	95.3	Very high	78 Å²	78	32.7 Å²	32.7	36%	0.364	16%	0.163	S	C	.	.	H	α-helix	trans	-65.8	-35.8	-178.4	-69	-61	149.7	0	0	112.6	R1030 G1057 K1062 A1063	R1030-E1059 HydrophobicContact CG-CB 4.26Å; G1057-E1059 PolarHBondContact O-N 2.88Å; E1059-K1062 WeakPolarHBondContact O-CB 3.44Å; E1059-K1062 PolarHBondContact O-N 3.35Å; E1059-A1063 PolarHBondContact O-N 3.32Å; E1059-A1063 VanDerWaalsContact O-N 3.07Å
1060	G	95.3	Very high	94.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-70	-38.7	174.2	0	0	0	0	0	112.2	I1056 G1057 M1058 K1062 A1063 L1064	I1056-G1060 VanDerWaalsContact CG2-C 3.49Å; I1056-G1060 VanDerWaalsContact CG2-CA 3.49Å; G1057-G1060 PolarHBondContact O-N 3.38Å; M1058-G1060 VanDerWaalsContact C-N 3.34Å; M1058-G1060 PolarHBondContact O-N 3.14Å; G1060-K1062 VanDerWaalsContact C-N 3.34Å; G1060-K1062 PolarHBondContact O-N 3.18Å; G1060-A1063 PolarHBondContact O-N 3.16Å; G1060-L1064 WeakPolarHBondContact O-CG 3.24Å; G1060-L1064 PolarHBondContact O-N 3.17Å
1061	A	95.4	Very high	94.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.5	-42	170.7	0	0	0	0	0	112.3	G1057 M1058 A1063 L1064 A1065 L1084	G1057-A1061 PolarHBondContact O-N 3.13Å; M1058-A1061 WeakPolarHBondContact O-CB 3.44Å; M1058-A1061 PolarHBondContact O-N 3.34Å; A1061-A1063 VanDerWaalsContact C-N 3.33Å; A1061-A1063 PolarHBondContact O-N 2.74Å; A1061-L1064 PolarHBondContact O-N 3.04Å; A1061-A1065 VanDerWaalsContact O-CB 3.26Å; A1061-A1065 WeakPolarHBondContact O-CB 3.37Å; A1061-A1065 PolarHBondContact O-N 2.97Å; A1061-L1084 HydrophobicContact CB-CB 4.26Å; A1061-L1084 HydrophobicContact CB-CD1 4.12Å; A1061-L1084 HydrophobicContact CB-CD2 3.64Å; A1061-L1084 HydrophobicContact CB-CG 4.16Å
1062	K	96.3	Very high	94.2	Very high	79 Å²	79	41.3 Å²	41.3	34%	0.343	20%	0.202	S	C	.	.	H	α-helix	trans	-59.8	-42.9	175.5	-176.8	-178.1	175.8	-176	0	111.8	M1058 E1059 G1060 N1066 F1091	M1058-K1062 PolarHBondContact O-N 3.45Å; E1059-K1062 WeakPolarHBondContact O-CB 3.44Å; E1059-K1062 PolarHBondContact O-N 3.35Å; G1060-K1062 VanDerWaalsContact C-N 3.34Å; G1060-K1062 PolarHBondContact O-N 3.18Å; K1062-N1066 PolarHBondContact O-N 3.27Å; K1062-N1066 VanDerWaalsContact O-N 3.08Å; K1062-N1066 PolarHBondContact O-ND2 3.35Å; K1062-F1091 HydrophobicContact CB-CD2 3.61Å; K1062-F1091 HydrophobicContact CB-CE2 3.88Å; K1062-F1091 HydrophobicContact CB-CG 4.12Å; K1062-F1091 HydrophobicContact CD-CD2 4.42Å; K1062-F1091 HydrophobicContact CD-CE1 4.42Å; K1062-F1091 HydrophobicContact CD-CE2 3.91Å; K1062-F1091 HydrophobicContact CD-CZ 3.92Å; K1062-F1091 HydrophobicContact CG-CD1 4.29Å; K1062-F1091 HydrophobicContact CG-CD2 3.93Å; K1062-F1091 HydrophobicContact CG-CE1 4.28Å; K1062-F1091 HydrophobicContact CG-CE2 3.93Å; K1062-F1091 HydrophobicContact CG-CG 4.13Å; K1062-F1091 HydrophobicContact CG-CZ 4.11Å
1063	A	96.8	Very high	94	Very high	20 Å²	20	39 Å²	39	17%	0.165	20%	0.196	C	C	.	.	H	α-helix	trans	-63.7	-49	176.2	0	0	0	0	0	111.6	I1034 A1037 E1059 G1060 A1061 A1065 N1066 A1067	I1034-A1063 HydrophobicContact CB-CB 4.35Å; I1034-A1063 HydrophobicContact CG1-CB 3.91Å; A1037-A1063 VanDerWaalsContact CB-C 3.4Å; A1037-A1063 HydrophobicContact CB-CB 3.78Å; A1037-A1063 WeakPolarHBondContact CB-O 3.39Å; E1059-A1063 PolarHBondContact O-N 3.32Å; E1059-A1063 VanDerWaalsContact O-N 3.07Å; G1060-A1063 PolarHBondContact O-N 3.16Å; A1061-A1063 VanDerWaalsContact C-N 3.33Å; A1061-A1063 PolarHBondContact O-N 2.74Å; A1063-A1065 VanDerWaalsContact C-N 3.33Å; A1063-A1065 PolarHBondContact O-N 3.3Å; A1063-N1066 PolarHBondContact O-N 3.37Å; A1063-N1066 VanDerWaalsContact O-N 3.11Å; A1063-A1067 PolarHBondContact O-N 3.18Å
1064	L	96.5	Very high	94	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-59.9	-42.4	177.2	-72	166.7	0	0	0	111.9	A1037 L1040 L1051 I1056 G1060 A1061 N1066 A1067 L1068 L1079	A1037-L1064 HydrophobicContact CB-CD2 4.03Å; A1037-L1064 HydrophobicContact CB-CG 4.29Å; L1040-L1064 HydrophobicContact CD1-CD2 4.03Å; L1051-L1064 HydrophobicContact CD1-CD1 4.14Å; L1051-L1064 HydrophobicContact CD1-CD2 4.34Å; I1056-L1064 HydrophobicContact CD1-CD1 4.31Å; I1056-L1064 HydrophobicContact CG2-CD1 4.37Å; G1060-L1064 WeakPolarHBondContact O-CG 3.24Å; G1060-L1064 PolarHBondContact O-N 3.17Å; A1061-L1064 PolarHBondContact O-N 3.04Å; L1064-N1066 VanDerWaalsContact C-N 3.31Å; L1064-N1066 PolarHBondContact O-N 3.05Å; L1064-A1067 WeakPolarHBondContact O-CB 3.23Å; L1064-A1067 PolarHBondContact O-N 3Å; L1064-A1067 VanDerWaalsContact O-N 3.14Å; L1064-L1068 WeakPolarHBondContact O-CG 3.44Å; L1064-L1068 PolarHBondContact O-N 2.96Å; L1064-L1079 HydrophobicContact CD1-CD1 4.41Å; L1064-L1079 HydrophobicContact CD1-CD2 3.64Å
1065	A	94.3	Very high	93.9	Very high	1 Å²	1	43 Å²	43	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-58	-42	174.1	0	0	0	0	0	112.2	A1061 A1063 L1068 K1069 F1091 I1092 A1095	A1061-A1065 VanDerWaalsContact O-CB 3.26Å; A1061-A1065 WeakPolarHBondContact O-CB 3.37Å; A1061-A1065 PolarHBondContact O-N 2.97Å; A1063-A1065 VanDerWaalsContact C-N 3.33Å; A1063-A1065 PolarHBondContact O-N 3.3Å; A1065-L1068 PolarHBondContact O-N 3.19Å; A1065-K1069 PolarHBondContact O-N 3.47Å; A1065-F1091 HydrophobicContact CB-CB 3.79Å; A1065-F1091 WeakPolarHBondContact CB-O 3.33Å; A1065-I1092 HydrophobicContact CB-CD1 4Å; A1065-A1095 HydrophobicContact CB-CB 4.01Å; A1065-A1095 WeakPolarHBondContact O-CB 3.2Å
1066	N	93.9	Very high	94	Very high	71 Å²	71	37.4 Å²	37.4	38%	0.38	19%	0.187	S	C	.	.	H	α-helix	trans	-66.7	-37.8	176.2	-73.6	-26.5	0	0	0	112.3	K1062 A1063 L1064 K1069	K1062-N1066 PolarHBondContact O-N 3.27Å; K1062-N1066 VanDerWaalsContact O-N 3.08Å; K1062-N1066 PolarHBondContact O-ND2 3.35Å; A1063-N1066 PolarHBondContact O-N 3.37Å; A1063-N1066 VanDerWaalsContact O-N 3.11Å; L1064-N1066 VanDerWaalsContact C-N 3.31Å; L1064-N1066 PolarHBondContact O-N 3.05Å; N1066-K1069 PolarHBondContact O-N 2.92Å; N1066-K1069 PolarHBondContact OD1-NZ 3.32Å
1067	A	95	Very high	94	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-65.2	-39	174	0	0	0	0	0	112.3	A1037 L1040 M1041 A1063 L1064 K1069 T1070 N1071	A1037-A1067 HydrophobicContact CB-CB 3.99Å; A1037-A1067 WeakPolarHBondContact O-CB 3.29Å; L1040-A1067 HydrophobicContact CB-CB 4.01Å; M1041-A1067 HydrophobicContact CG-CB 3.92Å; A1063-A1067 PolarHBondContact O-N 3.18Å; L1064-A1067 WeakPolarHBondContact O-CB 3.23Å; L1064-A1067 PolarHBondContact O-N 3Å; L1064-A1067 VanDerWaalsContact O-N 3.14Å; A1067-K1069 PolarHBondContact O-N 3.26Å; A1067-T1070 PolarHBondContact O-N 3.09Å; A1067-T1070 VanDerWaalsContact O-N 3.13Å; A1067-T1070 PolarHBondContact O-OG1 3.05Å; A1067-N1071 WeakPolarHBondContact O-CB 3.45Å; A1067-N1071 PolarHBondContact O-N 3.39Å
1068	L	92.9	Very high	94.1	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-26.6	177.1	-72.6	174.5	0	0	0	113.1	L1064 A1065 T1070 L1074 L1077 I1092 A1095 N1099 L1102	L1064-L1068 WeakPolarHBondContact O-CG 3.44Å; L1064-L1068 PolarHBondContact O-N 2.96Å; A1065-L1068 PolarHBondContact O-N 3.19Å; L1068-T1070 PolarHBondContact O-N 3.31Å; L1068-L1074 HydrophobicContact CD2-CD2 3.98Å; L1068-L1077 HydrophobicContact CD1-CD2 3.93Å; L1068-L1077 HydrophobicContact CD2-CD2 4.25Å; L1068-L1077 HydrophobicContact CG-CD2 4.45Å; L1068-I1092 HydrophobicContact CD1-CD1 4.17Å; L1068-A1095 HydrophobicContact CB-CB 3.99Å; L1068-N1099 WeakPolarHBondContact O-CB 3.2Å; L1068-N1099 PolarHBondContact O-ND2 3.37Å; L1068-L1102 HydrophobicContact CD2-CD1 4.5Å; L1068-L1102 HydrophobicContact CD2-CD2 4.4Å
1069	K	90.7	Very high	94.2	Very high	89 Å²	89	34 Å²	34	39%	0.387	17%	0.166	S	C	.	.	H	α-helix	trans	-65.5	-28	176.1	-68.1	169.8	-173.1	165.2	0	112.6	A1065 N1066 A1067 A1095	A1065-K1069 PolarHBondContact O-N 3.47Å; N1066-K1069 PolarHBondContact O-N 2.92Å; N1066-K1069 PolarHBondContact OD1-NZ 3.32Å; A1067-K1069 PolarHBondContact O-N 3.26Å; K1069-A1095 HydrophobicContact CG-CB 4.05Å
1070	T	89.4	Confident	94.3	Very high	76 Å²	76	31.6 Å²	31.6	47%	0.466	16%	0.155	S	C	.	.	H	α-helix	trans	-112.1	-29.3	-173.7	59	0	0	0	0	113.2	A1067 L1068	A1067-T1070 PolarHBondContact O-N 3.09Å; A1067-T1070 VanDerWaalsContact O-N 3.13Å; A1067-T1070 PolarHBondContact O-OG1 3.05Å; L1068-T1070 PolarHBondContact O-N 3.31Å
1071	N	91.8	Very high	94.2	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.177	C	C	.	.			trans	-70.6	131.5	176.3	-175.6	-80	0	0	0	110.7	L1040 N1043 A1067 T1073 L1074 N1099	L1040-N1071 PolarHBondContact O-ND2 3.48Å; N1043-N1071 PolarHBondContact O-ND2 3.07Å; A1067-N1071 WeakPolarHBondContact O-CB 3.45Å; A1067-N1071 PolarHBondContact O-N 3.39Å; N1071-T1073 PolarHBondContact ND2-OG1 2.97Å; N1071-T1073 PolarHBondContact OD1-N 3.38Å; N1071-T1073 PolarHBondContact OD1-OG1 3.09Å; N1071-L1074 VanDerWaalsContact OD1-CB 3.3Å; N1071-L1074 WeakPolarHBondContact OD1-CB 3.48Å; N1071-L1074 PolarHBondContact OD1-N 3.42Å; N1071-N1099 PolarHBondContact O-ND2 2.88Å
1072	R	89	Confident	94.3	Very high	127 Å²	127	36.4 Å²	36.4	48%	0.479	18%	0.177	S	C	.	.			trans	-119	10.3	-178.2	-58.8	-60.7	-174.5	-177.6	-1.3	113	G1098 Q1101	R1072-G1098 PolarHBondContact NH1-O 2.89Å; R1072-G1098 PolarHBondContact NH2-O 2.85Å; R1072-Q1101 HydrophobicContact CB-CG 4.42Å
1073	T	93.3	Very high	94.2	Very high	26 Å²	26	36.2 Å²	36.2	16%	0.16	19%	0.186	C	C	.	.	S	Bend	trans	-116.4	-29.7	-170.8	62.9	0	0	0	0	112.7	K1044 L1046 H1047 N1071 K1075	K1044-T1073 HydrophobicContact CB-CG2 4.18Å; K1044-T1073 HydrophobicContact CD-CG2 4.36Å; K1044-T1073 WeakPolarHBondContact O-CG2 3.27Å; L1046-T1073 CarbonylContact O-C 3.51Å; L1046-T1073 PolarHBondContact O-OG1 3.03Å; H1047-T1073 PolarHBondContact CD2-O 2.76Å; N1071-T1073 PolarHBondContact ND2-OG1 2.97Å; N1071-T1073 PolarHBondContact OD1-N 3.38Å; N1071-T1073 PolarHBondContact OD1-OG1 3.09Å; T1073-K1075 PolarHBondContact O-N 3.42Å
1074	L	94.6	Very high	94	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.			trans	-70.3	122.7	177.7	-164.9	74.2	0	0	0	109.9	L1040 L1046 L1049 L1068 N1071 L1077 L1102	L1040-L1074 HydrophobicContact CD1-CD2 4.32Å; L1040-L1074 HydrophobicContact CD2-CD1 4.36Å; L1040-L1074 HydrophobicContact CD2-CD2 4.44Å; L1046-L1074 HydrophobicContact CD2-CD1 4.49Å; L1046-L1074 HydrophobicContact CG-CD1 4.41Å; L1046-L1074 WeakPolarHBondContact O-CA 3.47Å; L1046-L1074 PolarHBondContact O-N 3.39Å; L1049-L1074 HydrophobicContact CB-CD1 3.91Å; L1068-L1074 HydrophobicContact CD2-CD2 3.98Å; N1071-L1074 VanDerWaalsContact OD1-CB 3.3Å; N1071-L1074 WeakPolarHBondContact OD1-CB 3.48Å; N1071-L1074 PolarHBondContact OD1-N 3.42Å; L1074-L1077 HydrophobicContact CD2-CB 3.98Å; L1074-L1077 HydrophobicContact CD2-CD1 4.31Å; L1074-L1077 HydrophobicContact CD2-CD2 4.37Å; L1074-L1077 HydrophobicContact CD2-CG 4.44Å; L1074-L1102 HydrophobicContact CD2-CD1 4.28Å; L1074-L1102 HydrophobicContact CG-CD1 4.18Å
1075	K	94.7	Very high	93.8	Very high	100 Å²	100	36.4 Å²	36.4	44%	0.435	19%	0.189	S	C	.	.			trans	-105.2	-29.7	-179.8	-64	-174.9	177.2	-179.3	0	112.4	H1047 T1073 T1103 Y1104	H1047-K1075 PolarHBondContact O-N 3.45Å; T1073-K1075 PolarHBondContact O-N 3.42Å; K1075-T1103 PolarHBondContact O-N 3.28Å; K1075-T1103 PolarHBondContact O-OG1 3.22Å; K1075-Y1104 PolarHBondContact O-N 3.06Å
1076	S	95.8	Very high	93.7	Very high	26 Å²	26	40.2 Å²	40.2	18%	0.182	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	126.7	-176.8	176.1	0	0	0	0	110.7	H1047 T1048 L1049 Y1104	H1047-S1076 PolarHBondContact O-N 2.89Å; T1048-S1076 WeakPolarHBondContact CA-O 3.39Å; L1049-S1076 PolarHBondContact N-O 2.69Å; S1076-Y1104 WeakPolarHBondContact CA-O 3.26Å; S1076-Y1104 WeakPolarHBondContact OG-CD1 3.22Å
1077	L	95.9	Very high	93.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	116.5	177.6	178.2	59	0	0	0	110.4	L1049 L1068 L1074 L1079 L1102 Y1104 I1105 N1106	L1049-L1077 HydrophobicContact CB-CD1 4.11Å; L1049-L1077 HydrophobicContact CD2-CD1 4.1Å; L1049-L1077 HydrophobicContact CG-CD1 4.13Å; L1049-L1077 WeakPolarHBondContact O-CA 3.31Å; L1068-L1077 HydrophobicContact CD1-CD2 3.93Å; L1068-L1077 HydrophobicContact CD2-CD2 4.25Å; L1068-L1077 HydrophobicContact CG-CD2 4.45Å; L1074-L1077 HydrophobicContact CD2-CB 3.98Å; L1074-L1077 HydrophobicContact CD2-CD1 4.31Å; L1074-L1077 HydrophobicContact CD2-CD2 4.37Å; L1074-L1077 HydrophobicContact CD2-CG 4.44Å; L1077-L1079 HydrophobicContact CD1-CD2 4.15Å; L1077-L1079 HydrophobicContact CD1-CG 4.26Å; L1077-L1079 HydrophobicContact CD2-CD1 3.92Å; L1077-L1079 HydrophobicContact CD2-CG 4.2Å; L1077-L1079 HydrophobicContact CG-CD1 4.22Å; L1077-L1079 HydrophobicContact CG-CD2 4.37Å; L1077-L1079 HydrophobicContact CG-CG 3.95Å; L1077-L1102 HydrophobicContact CB-CD1 4.1Å; L1077-Y1104 PolarHBondContact N-O 3.28Å; L1077-I1105 HydrophobicContact CB-CG1 4.44Å; L1077-I1105 HydrophobicContact CD2-CD1 4.34Å; L1077-I1105 VanDerWaalsContact O-CA 3.26Å; L1077-I1105 WeakPolarHBondContact O-CA 3.46Å; L1077-I1105 WeakPolarHBondContact O-CG1 3.33Å; L1077-N1106 PolarHBondContact O-N 3.29Å
1078	N	96.5	Very high	93.3	Very high	17 Å²	17	41.3 Å²	41.3	9%	0.091	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.4	174.3	-167.2	-13.5	0	0	0	110.7	L1049 D1050 L1051 Q1080	L1049-N1078 PolarHBondContact O-N 2.83Å; D1050-N1078 HydrophobicContact CB-CB 4.36Å; L1051-N1078 CarbonylContact C-O 3.46Å; L1051-N1078 PolarHBondContact N-O 3.45Å; N1078-Q1080 VanDerWaalsContact OD1-CB 3.26Å; N1078-Q1080 WeakPolarHBondContact OD1-CB 3.43Å; N1078-Q1080 PolarHBondContact OD1-N 2.81Å
1079	L	96.1	Very high	93.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.			trans	-120.6	17.9	176.7	-63	173.5	0	0	0	112.2	L1051 I1056 L1064 L1077 N1082 L1084 I1092 N1106 L1107 N1110	L1051-L1079 HydrophobicContact CB-CD2 4.16Å; L1051-L1079 HydrophobicContact CD1-CD2 4.22Å; I1056-L1079 HydrophobicContact CD1-CD2 3.68Å; L1064-L1079 HydrophobicContact CD1-CD1 4.41Å; L1064-L1079 HydrophobicContact CD1-CD2 3.64Å; L1077-L1079 HydrophobicContact CD1-CD2 4.15Å; L1077-L1079 HydrophobicContact CD1-CG 4.26Å; L1077-L1079 HydrophobicContact CD2-CD1 3.92Å; L1077-L1079 HydrophobicContact CD2-CG 4.2Å; L1077-L1079 HydrophobicContact CG-CD1 4.22Å; L1077-L1079 HydrophobicContact CG-CD2 4.37Å; L1077-L1079 HydrophobicContact CG-CG 3.95Å; L1079-N1082 WeakPolarHBondContact O-CB 3.23Å; L1079-N1082 PolarHBondContact O-ND2 3Å; L1079-L1084 HydrophobicContact CB-CD1 4.29Å; L1079-L1084 HydrophobicContact CD1-CD1 4.28Å; L1079-I1092 HydrophobicContact CD1-CD1 4Å; L1079-N1106 CarbonylContact C-O 3.52Å; L1079-N1106 WeakPolarHBondContact CA-O 3.46Å; L1079-N1106 PolarHBondContact N-O 3.16Å; L1079-L1107 HydrophobicContact CB-CD2 4.1Å; L1079-L1107 HydrophobicContact CD1-CD2 4.07Å; L1079-N1110 PolarHBondContact O-ND2 2.91Å; L1079-N1110 PolarHBondContact O-OD1 3.28Å
1080	Q	95.7	Very high	93	Very high	28 Å²	28	39.7 Å²	39.7	13%	0.131	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	142.7	177.2	176.7	179.8	3.7	0	0	111.9	R1052 G1053 N1078 N1082 N1106 Q1108	R1052-Q1080 CarbonylContact C-O 3.5Å; R1052-Q1080 VanDerWaalsContact CA-O 3.23Å; R1052-Q1080 WeakPolarHBondContact CA-O 3.45Å; R1052-Q1080 HydrophobicContact CB-CB 4.36Å; R1052-Q1080 HydrophobicContact CG-CB 3.86Å; R1052-Q1080 HydrophobicContact CG-CG 4.12Å; R1052-Q1080 WeakPolarHBondContact CG-O 3.35Å; G1053-Q1080 PolarHBondContact N-O 2.93Å; N1078-Q1080 VanDerWaalsContact OD1-CB 3.26Å; N1078-Q1080 WeakPolarHBondContact OD1-CB 3.43Å; N1078-Q1080 PolarHBondContact OD1-N 2.81Å; Q1080-N1082 PolarHBondContact O-N 2.86Å; Q1080-N1082 PolarHBondContact O-ND2 3.39Å; Q1080-N1106 PolarHBondContact N-O 3.46Å; Q1080-Q1108 CarbonylContact C-O 3.35Å; Q1080-Q1108 VanDerWaalsContact CA-O 3.22Å; Q1080-Q1108 WeakPolarHBondContact CA-O 3.42Å; Q1080-Q1108 HydrophobicContact CG-CB 4.2Å; Q1080-Q1108 WeakPolarHBondContact CG-O 3.15Å
1081	E	94.6	Very high	93.2	Very high	101 Å²	101	39.1 Å²	39.1	47%	0.472	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	46.7	171.4	-70.9	165.8	-145.1	0	0	114.7	G1053 Q1108	G1053-E1081 WeakPolarHBondContact CA-O 3.18Å; G1053-E1081 PolarHBondContact N-O 2.96Å; E1081-Q1108 PolarHBondContact N-O 2.79Å
1082	N	96.2	Very high	93.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-116.8	5.8	-178	-84.8	-64.6	0	0	0	115.2	L1051 N1054 F1055 I1056 G1057 L1079 Q1080 L1084 N1110	L1051-N1082 PolarHBondContact O-ND2 2.87Å; L1051-N1082 PolarHBondContact O-OD1 3.46Å; N1054-N1082 WeakPolarHBondContact CA-OD1 3.4Å; N1054-N1082 WeakPolarHBondContact CB-OD1 3.48Å; N1054-N1082 PolarHBondContact N-OD1 2.9Å; F1055-N1082 PolarHBondContact N-OD1 2.98Å; I1056-N1082 HydrophobicContact CB-CB 4.05Å; I1056-N1082 HydrophobicContact CD1-CB 4.06Å; I1056-N1082 VanDerWaalsContact CD1-OD1 3.25Å; I1056-N1082 WeakPolarHBondContact CD1-OD1 3.35Å; I1056-N1082 HydrophobicContact CG1-CB 4.23Å; I1056-N1082 WeakPolarHBondContact CG1-OD1 3.44Å; I1056-N1082 PolarHBondContact N-O 3.26Å; I1056-N1082 PolarHBondContact N-OD1 3.07Å; G1057-N1082 PolarHBondContact N-O 3.2Å; L1079-N1082 WeakPolarHBondContact O-CB 3.23Å; L1079-N1082 PolarHBondContact O-ND2 3Å; Q1080-N1082 PolarHBondContact O-N 2.86Å; Q1080-N1082 PolarHBondContact O-ND2 3.39Å; N1082-L1084 VanDerWaalsContact C-N 3.31Å; N1082-L1084 HydrophobicContact CB-CD2 3.74Å; N1082-L1084 HydrophobicContact CB-CG 4.23Å; N1082-L1084 PolarHBondContact O-N 3.48Å; N1082-N1110 VanDerWaalsContact C-OD1 3.29Å; N1082-N1110 WeakPolarHBondContact CA-OD1 3.44Å; N1082-N1110 WeakPolarHBondContact CB-OD1 3.25Å; N1082-N1110 PolarHBondContact N-OD1 2.76Å
1083	S	93.9	Very high	93.1	Very high	74 Å²	74	33 Å²	33	52%	0.517	18%	0.177	S	C	.	.			trans	54.1	43.5	178.6	-50.2	0	0	0	0	113.2	G1085 N1110	S1083-G1085 VanDerWaalsContact C-N 3.3Å; S1083-G1085 PolarHBondContact O-N 3.28Å; S1083-N1110 PolarHBondContact N-OD1 3.43Å
1084	L	94.3	Very high	92.9	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.189	C	C	.	.			trans	-66.2	-31.2	-176.9	-54.4	-177.5	0	0	0	113.4	I1056 M1058 A1061 L1079 N1082 G1088 L1107 N1110	I1056-L1084 HydrophobicContact CB-CD2 4.22Å; I1056-L1084 HydrophobicContact CG2-CD2 4.19Å; M1058-L1084 WeakPolarHBondContact CA-O 3.43Å; M1058-L1084 WeakPolarHBondContact CB-O 3.49Å; A1061-L1084 HydrophobicContact CB-CB 4.26Å; A1061-L1084 HydrophobicContact CB-CD1 4.12Å; A1061-L1084 HydrophobicContact CB-CD2 3.64Å; A1061-L1084 HydrophobicContact CB-CG 4.16Å; L1079-L1084 HydrophobicContact CB-CD1 4.29Å; L1079-L1084 HydrophobicContact CD1-CD1 4.28Å; N1082-L1084 VanDerWaalsContact C-N 3.31Å; N1082-L1084 HydrophobicContact CB-CD2 3.74Å; N1082-L1084 HydrophobicContact CB-CG 4.23Å; N1082-L1084 PolarHBondContact O-N 3.48Å; L1084-G1088 PolarHBondContact O-N 3.11Å; L1084-L1107 HydrophobicContact CD1-CD2 3.95Å; L1084-N1110 HydrophobicContact CB-CB 4.12Å; L1084-N1110 HydrophobicContact CD1-CB 4.41Å; L1084-N1110 HydrophobicContact CG-CB 4.09Å; L1084-N1110 WeakPolarHBondContact CG-OD1 3.41Å; L1084-N1110 PolarHBondContact N-O 2.98Å; L1084-N1110 PolarHBondContact N-OD1 2.92Å
1085	G	92	Very high	92.6	Very high	24 Å²	24	34.9 Å²	34.9	25%	0.247	19%	0.189	C	C	.	.	H	α-helix	trans	69.7	177.4	-172.6	0	0	0	0	0	113.5	S1083 D1087 G1088 A1089 N1110	S1083-G1085 VanDerWaalsContact C-N 3.3Å; S1083-G1085 PolarHBondContact O-N 3.28Å; G1085-D1087 PolarHBondContact O-N 3.02Å; G1085-G1088 PolarHBondContact O-N 3.41Å; G1085-A1089 PolarHBondContact O-N 3.45Å; G1085-A1089 VanDerWaalsContact O-N 3.16Å; G1085-N1110 PolarHBondContact N-O 3.34Å
1086	M	91.7	Very high	92.2	Very high	81 Å²	81	30.2 Å²	30.2	40%	0.399	17%	0.168	S	C	.	.	H	α-helix	trans	-58.6	-47	-178.8	-175.7	-173.6	-63.8	0	0	112.4	G1088 A1089 I1090 I1112	M1086-G1088 VanDerWaalsContact C-N 3.34Å; M1086-G1088 PolarHBondContact O-N 3.07Å; M1086-A1089 WeakPolarHBondContact O-CB 3.42Å; M1086-A1089 PolarHBondContact O-N 2.82Å; M1086-I1090 HydrophobicContact CG-CD1 4.08Å; M1086-I1090 WeakPolarHBondContact O-CG1 3.4Å; M1086-I1090 PolarHBondContact O-N 3.08Å; M1086-I1112 WeakPolarHBondContact CA-O 3.48Å; M1086-I1112 WeakPolarHBondContact CB-O 3.31Å
1087	D	89.7	Confident	91.5	Very high	96 Å²	96	34 Å²	34	51%	0.513	18%	0.181	S	C	.	.	H	α-helix	trans	-64.7	-38.4	-178.7	-64.2	-41.2	0	0	0	112.3	M1058 G1085 A1089 I1090 F1091	M1058-D1087 HydrophobicContact CG-CB 3.95Å; G1085-D1087 PolarHBondContact O-N 3.02Å; D1087-A1089 VanDerWaalsContact C-N 3.33Å; D1087-A1089 PolarHBondContact O-N 3.34Å; D1087-I1090 PolarHBondContact O-N 3.4Å; D1087-F1091 HydrophobicContact CB-CE2 4.38Å; D1087-F1091 WeakPolarHBondContact O-CD2 3.33Å; D1087-F1091 WeakPolarHBondContact O-CG 3.44Å; D1087-F1091 PolarHBondContact O-N 3.04Å
1088	G	90.5	Very high	90.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.5	-43.8	173.8	0	0	0	0	0	112.1	L1084 G1085 M1086 F1091 I1092	L1084-G1088 PolarHBondContact O-N 3.11Å; G1085-G1088 PolarHBondContact O-N 3.41Å; M1086-G1088 VanDerWaalsContact C-N 3.34Å; M1086-G1088 PolarHBondContact O-N 3.07Å; G1088-F1091 PolarHBondContact O-N 3.49Å; G1088-I1092 WeakPolarHBondContact O-CG1 3.33Å; G1088-I1092 PolarHBondContact O-N 3.48Å; G1088-I1092 VanDerWaalsContact O-N 3.16Å
1089	A	89.4	Confident	89.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.9	-41.4	173.5	0	0	0	0	0	112.8	G1085 M1086 D1087 F1091 I1092 A1093 I1112 I1120	G1085-A1089 PolarHBondContact O-N 3.45Å; G1085-A1089 VanDerWaalsContact O-N 3.16Å; M1086-A1089 WeakPolarHBondContact O-CB 3.42Å; M1086-A1089 PolarHBondContact O-N 2.82Å; D1087-A1089 VanDerWaalsContact C-N 3.33Å; D1087-A1089 PolarHBondContact O-N 3.34Å; A1089-F1091 PolarHBondContact O-N 3.01Å; A1089-I1092 PolarHBondContact O-N 3.41Å; A1089-A1093 WeakPolarHBondContact O-CB 3.26Å; A1089-A1093 PolarHBondContact O-N 3.18Å; A1089-I1112 HydrophobicContact CB-CB 3.73Å; A1089-I1112 HydrophobicContact CB-CD1 4.25Å; A1089-I1112 HydrophobicContact CB-CG2 3.66Å; A1089-I1120 HydrophobicContact CB-CD1 3.7Å; A1089-I1120 HydrophobicContact CB-CG1 4.47Å
1090	I	89.2	Confident	88.9	Confident	55 Å²	55	40.8 Å²	40.8	28%	0.282	22%	0.222	S	C	.	.	H	α-helix	trans	-62.8	-41.6	177.1	-68	167.5	0	0	0	111	M1086 D1087 A1093 T1094 V1119	M1086-I1090 HydrophobicContact CG-CD1 4.08Å; M1086-I1090 WeakPolarHBondContact O-CG1 3.4Å; M1086-I1090 PolarHBondContact O-N 3.08Å; D1087-I1090 PolarHBondContact O-N 3.4Å; I1090-A1093 PolarHBondContact O-N 3.26Å; I1090-T1094 WeakPolarHBondContact O-CB 3.37Å; I1090-T1094 PolarHBondContact O-N 3.25Å; I1090-T1094 PolarHBondContact O-OG1 3.02Å; I1090-V1119 HydrophobicContact CG1-CG1 4.35Å; I1090-V1119 HydrophobicContact CG1-CG2 4.49Å
1091	F	92.8	Very high	88.4	Confident	65 Å²	65	43.9 Å²	43.9	29%	0.285	24%	0.236	S	C	.	.	H	α-helix	trans	-60.8	-46.1	175.9	-68.2	-50.8	0	0	0	111.9	M1058 K1062 A1065 D1087 G1088 A1089 T1094 A1095	M1058-F1091 HydrophobicContact CG-CE2 4.26Å; M1058-F1091 HydrophobicContact SD-CE2 3.85Å; K1062-F1091 HydrophobicContact CB-CD2 3.61Å; K1062-F1091 HydrophobicContact CB-CE2 3.88Å; K1062-F1091 HydrophobicContact CB-CG 4.12Å; K1062-F1091 HydrophobicContact CD-CD2 4.42Å; K1062-F1091 HydrophobicContact CD-CE1 4.42Å; K1062-F1091 HydrophobicContact CD-CE2 3.91Å; K1062-F1091 HydrophobicContact CD-CZ 3.92Å; K1062-F1091 HydrophobicContact CG-CD1 4.29Å; K1062-F1091 HydrophobicContact CG-CD2 3.93Å; K1062-F1091 HydrophobicContact CG-CE1 4.28Å; K1062-F1091 HydrophobicContact CG-CE2 3.93Å; K1062-F1091 HydrophobicContact CG-CG 4.13Å; K1062-F1091 HydrophobicContact CG-CZ 4.11Å; A1065-F1091 HydrophobicContact CB-CB 3.79Å; A1065-F1091 WeakPolarHBondContact CB-O 3.33Å; D1087-F1091 HydrophobicContact CB-CE2 4.38Å; D1087-F1091 WeakPolarHBondContact O-CD2 3.33Å; D1087-F1091 WeakPolarHBondContact O-CG 3.44Å; D1087-F1091 PolarHBondContact O-N 3.04Å; G1088-F1091 PolarHBondContact O-N 3.49Å; A1089-F1091 PolarHBondContact O-N 3.01Å; F1091-T1094 WeakPolarHBondContact O-CB 3.43Å; F1091-T1094 PolarHBondContact O-N 3.08Å; F1091-A1095 PolarHBondContact O-N 3Å
1092	I	91.6	Very high	88.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-48.1	177.7	-65.1	-69.1	0	0	0	110.7	A1065 L1068 L1079 G1088 A1089 T1094 A1095 L1096 I1105 L1107	A1065-I1092 HydrophobicContact CB-CD1 4Å; L1068-I1092 HydrophobicContact CD1-CD1 4.17Å; L1079-I1092 HydrophobicContact CD1-CD1 4Å; G1088-I1092 WeakPolarHBondContact O-CG1 3.33Å; G1088-I1092 PolarHBondContact O-N 3.48Å; G1088-I1092 VanDerWaalsContact O-N 3.16Å; A1089-I1092 PolarHBondContact O-N 3.41Å; I1092-T1094 PolarHBondContact O-N 3.36Å; I1092-A1095 WeakPolarHBondContact O-CB 3.24Å; I1092-A1095 PolarHBondContact O-N 3.1Å; I1092-L1096 HydrophobicContact CG2-CD1 4.4Å; I1092-L1096 WeakPolarHBondContact O-CG 3.1Å; I1092-L1096 PolarHBondContact O-N 2.66Å; I1092-I1105 HydrophobicContact CG2-CD1 3.42Å; I1092-I1105 VanDerWaalsContact CG2-CD1 3.42Å; I1092-L1107 HydrophobicContact CG2-CD1 4.15Å; I1092-L1107 HydrophobicContact CG2-CD2 4.37Å
1093	A	87.9	Confident	87.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-55.3	-40.8	176	0	0	0	0	0	112.3	A1089 I1090 A1095 L1096 K1097 V1119 I1120 A1123	A1089-A1093 WeakPolarHBondContact O-CB 3.26Å; A1089-A1093 PolarHBondContact O-N 3.18Å; I1090-A1093 PolarHBondContact O-N 3.26Å; A1093-A1095 VanDerWaalsContact C-N 3.34Å; A1093-L1096 PolarHBondContact O-N 3.23Å; A1093-K1097 PolarHBondContact O-N 3.01Å; A1093-V1119 HydrophobicContact CB-CG1 3.88Å; A1093-I1120 HydrophobicContact CB-CB 4.37Å; A1093-I1120 HydrophobicContact CB-CG1 3.75Å; A1093-A1123 HydrophobicContact CB-CB 4.2Å
1094	T	87.9	Confident	87.7	Confident	65 Å²	65	42 Å²	42	40%	0.399	22%	0.221	S	C	.	.	H	α-helix	trans	-66.6	-36.6	177.9	-56.5	0	0	0	0	111.9	I1090 F1091 I1092	I1090-T1094 WeakPolarHBondContact O-CB 3.37Å; I1090-T1094 PolarHBondContact O-N 3.25Å; I1090-T1094 PolarHBondContact O-OG1 3.02Å; F1091-T1094 WeakPolarHBondContact O-CB 3.43Å; F1091-T1094 PolarHBondContact O-N 3.08Å; I1092-T1094 PolarHBondContact O-N 3.36Å
1095	A	89.1	Confident	87.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68.7	-38.3	177	0	0	0	0	0	112.5	A1065 L1068 K1069 F1091 I1092 A1093 K1097 G1098 N1099	A1065-A1095 HydrophobicContact CB-CB 4.01Å; A1065-A1095 WeakPolarHBondContact O-CB 3.2Å; L1068-A1095 HydrophobicContact CB-CB 3.99Å; K1069-A1095 HydrophobicContact CG-CB 4.05Å; F1091-A1095 PolarHBondContact O-N 3Å; I1092-A1095 WeakPolarHBondContact O-CB 3.24Å; I1092-A1095 PolarHBondContact O-N 3.1Å; A1093-A1095 VanDerWaalsContact C-N 3.34Å; A1095-K1097 PolarHBondContact O-N 3.27Å; A1095-G1098 PolarHBondContact O-N 2.73Å; A1095-N1099 PolarHBondContact O-N 3.28Å
1096	L	86.1	Confident	87.6	Confident	1 Å²	1	41 Å²	41	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-33.1	178.6	-66	175.9	0	0	0	112.4	I1092 A1093 G1098 N1099 L1102 I1105 S1128	I1092-L1096 HydrophobicContact CG2-CD1 4.4Å; I1092-L1096 WeakPolarHBondContact O-CG 3.1Å; I1092-L1096 PolarHBondContact O-N 2.66Å; A1093-L1096 PolarHBondContact O-N 3.23Å; L1096-G1098 PolarHBondContact O-N 3.34Å; L1096-N1099 PolarHBondContact O-N 3.33Å; L1096-L1102 HydrophobicContact CD2-CD2 3.67Å; L1096-I1105 HydrophobicContact CD1-CG2 4.39Å; L1096-S1128 PolarHBondContact O-OG 3.33Å
1097	K	81.7	Confident	87.7	Confident	106 Å²	106	37.1 Å²	37.1	46%	0.461	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-30.1	176.5	-65.5	-175.6	179.4	-179.5	0	114.1	A1093 A1095 A1123 N1127	A1093-K1097 PolarHBondContact O-N 3.01Å; A1095-K1097 PolarHBondContact O-N 3.27Å; K1097-A1123 HydrophobicContact CG-CB 4.16Å; K1097-N1127 HydrophobicContact CB-CB 4.41Å
1098	G	75.1	Confident	87.8	Confident	34 Å²	34	36.2 Å²	36.2	35%	0.351	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	1.8	-179.8	0	0	0	0	0	114.9	R1072 A1095 L1096	R1072-G1098 PolarHBondContact NH1-O 2.89Å; R1072-G1098 PolarHBondContact NH2-O 2.85Å; A1095-G1098 PolarHBondContact O-N 2.73Å; L1096-G1098 PolarHBondContact O-N 3.34Å
1099	N	80.3	Confident	87.8	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.211	C	C	.	.			trans	-119.7	103	-177.6	-172	-15.4	0	0	0	111.6	L1068 N1071 A1095 L1096 Q1101 L1102	L1068-N1099 WeakPolarHBondContact O-CB 3.2Å; L1068-N1099 PolarHBondContact O-ND2 3.37Å; N1071-N1099 PolarHBondContact O-ND2 2.88Å; A1095-N1099 PolarHBondContact O-N 3.28Å; L1096-N1099 PolarHBondContact O-N 3.33Å; N1099-Q1101 PolarHBondContact OD1-N 3.47Å; N1099-L1102 PolarHBondContact OD1-N 2.82Å
1100	H	78.3	Confident	88	Confident	125 Å²	125	39 Å²	39	58%	0.579	21%	0.212	S	C	*	.			trans	-95.9	5.5	179.4	-47.9	-64.1	0	0	0	114	N1127	H1100-N1127 PolarHBondContact CE1-O 3.41Å; H1100-N1127 PolarHBondContact ND1-O 3.05Å
1101	Q	84.4	Confident	88	Confident	93 Å²	93	39.7 Å²	39.7	44%	0.435	23%	0.233	S	C	.	.	S	Bend	trans	-98.7	-23.2	-178.4	-67.3	-64.6	-32.4	0	0	112.8	R1072 N1099 T1103	R1072-Q1101 HydrophobicContact CB-CG 4.42Å; N1099-Q1101 PolarHBondContact OD1-N 3.47Å; Q1101-T1103 PolarHBondContact O-N 3.32Å
1102	L	88.4	Confident	87.8	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.021	22%	0.222	C	C	.	.			trans	-73.7	119.2	173.9	-164.3	76.1	0	0	0	109.2	L1068 L1074 L1077 L1096 N1099 I1105 C1131	L1068-L1102 HydrophobicContact CD2-CD1 4.5Å; L1068-L1102 HydrophobicContact CD2-CD2 4.4Å; L1074-L1102 HydrophobicContact CD2-CD1 4.28Å; L1074-L1102 HydrophobicContact CG-CD1 4.18Å; L1077-L1102 HydrophobicContact CB-CD1 4.1Å; L1096-L1102 HydrophobicContact CD2-CD2 3.67Å; N1099-L1102 PolarHBondContact OD1-N 2.82Å; L1102-I1105 HydrophobicContact CD2-CB 3.94Å; L1102-I1105 HydrophobicContact CD2-CD1 4.15Å; L1102-I1105 HydrophobicContact CD2-CG1 4.48Å; L1102-I1105 HydrophobicContact CD2-CG2 4.47Å; L1102-C1131 WeakPolarHBondContact O-CB 3.36Å; L1102-C1131 PolarHBondContact O-SG 3.42Å
1103	T	89.8	Confident	87.6	Confident	69 Å²	69	39.2 Å²	39.2	42%	0.423	24%	0.243	S	C	.	.			trans	-103.1	-17.3	-178.6	51.9	0	0	0	0	112.9	K1075 Q1101 C1131 V1132	K1075-T1103 PolarHBondContact O-N 3.28Å; K1075-T1103 PolarHBondContact O-OG1 3.22Å; Q1101-T1103 PolarHBondContact O-N 3.32Å; T1103-C1131 WeakPolarHBondContact O-CA 3.34Å; T1103-V1132 PolarHBondContact O-N 3.41Å
1104	Y	92.2	Very high	87.3	Confident	61 Å²	61	47.6 Å²	47.6	24%	0.239	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	132.5	179.8	177.3	-94	0	0	0	111.6	K1075 S1076 L1077 N1106 V1132 E1134	K1075-Y1104 PolarHBondContact O-N 3.06Å; S1076-Y1104 WeakPolarHBondContact CA-O 3.26Å; S1076-Y1104 WeakPolarHBondContact OG-CD1 3.22Å; L1077-Y1104 PolarHBondContact N-O 3.28Å; Y1104-N1106 HydrophobicContact CE1-CB 4.02Å; Y1104-N1106 WeakPolarHBondContact OH-CB 3.39Å; Y1104-V1132 WeakPolarHBondContact CA-O 3.48Å; Y1104-V1132 HydrophobicContact CD2-CB 4.26Å; Y1104-V1132 HydrophobicContact CD2-CG1 4.26Å; Y1104-E1134 HydrophobicContact CE2-CG 4.33Å; Y1104-E1134 PolarHBondContact OH-OE2 3.34Å
1105	I	92.1	Very high	87	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	132.9	168.4	-169.8	172.4	0	0	0	111.6	L1077 I1092 L1096 L1102 L1107 V1132 V1133 E1134	L1077-I1105 HydrophobicContact CB-CG1 4.44Å; L1077-I1105 HydrophobicContact CD2-CD1 4.34Å; L1077-I1105 VanDerWaalsContact O-CA 3.26Å; L1077-I1105 WeakPolarHBondContact O-CA 3.46Å; L1077-I1105 WeakPolarHBondContact O-CG1 3.33Å; I1092-I1105 HydrophobicContact CG2-CD1 3.42Å; I1092-I1105 VanDerWaalsContact CG2-CD1 3.42Å; L1096-I1105 HydrophobicContact CD1-CG2 4.39Å; L1102-I1105 HydrophobicContact CD2-CB 3.94Å; L1102-I1105 HydrophobicContact CD2-CD1 4.15Å; L1102-I1105 HydrophobicContact CD2-CG1 4.48Å; L1102-I1105 HydrophobicContact CD2-CG2 4.47Å; I1105-L1107 HydrophobicContact CD1-CD2 4.13Å; I1105-L1107 HydrophobicContact CD1-CG 4.41Å; I1105-L1107 HydrophobicContact CG1-CD2 4.21Å; I1105-L1107 HydrophobicContact CG1-CG 4.22Å; I1105-V1132 PolarHBondContact N-O 2.88Å; I1105-V1133 HydrophobicContact CG2-CB 4Å; I1105-V1133 HydrophobicContact CG2-CG1 3.66Å; I1105-V1133 HydrophobicContact CG2-CG2 3.52Å; I1105-V1133 VanDerWaalsContact O-CA 3.31Å; I1105-V1133 WeakPolarHBondContact O-CA 3.46Å; I1105-E1134 PolarHBondContact O-N 3.49Å
1106	N	92.5	Very high	86.7	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.2	174.9	-176.2	-26.2	0	0	0	110.4	L1077 L1079 Q1080 Y1104 Q1108 E1134	L1077-N1106 PolarHBondContact O-N 3.29Å; L1079-N1106 CarbonylContact C-O 3.52Å; L1079-N1106 WeakPolarHBondContact CA-O 3.46Å; L1079-N1106 PolarHBondContact N-O 3.16Å; Q1080-N1106 PolarHBondContact N-O 3.46Å; Y1104-N1106 HydrophobicContact CE1-CB 4.02Å; Y1104-N1106 WeakPolarHBondContact OH-CB 3.39Å; N1106-Q1108 WeakPolarHBondContact OD1-CB 3.1Å; N1106-Q1108 WeakPolarHBondContact OD1-CG 3.48Å; N1106-Q1108 PolarHBondContact OD1-N 3.2Å; N1106-E1134 HydrophobicContact CB-CB 4.21Å; N1106-E1134 PolarHBondContact ND2-OE2 3.11Å
1107	L	92.4	Very high	86.6	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	30%	0.298	C	S	.	.			trans	-121.4	11.6	-178	-60.8	173.9	0	0	0	112.4	L1079 L1084 I1092 I1105 N1110 I1120 V1133 E1134	L1079-L1107 HydrophobicContact CB-CD2 4.1Å; L1079-L1107 HydrophobicContact CD1-CD2 4.07Å; L1084-L1107 HydrophobicContact CD1-CD2 3.95Å; I1092-L1107 HydrophobicContact CG2-CD1 4.15Å; I1092-L1107 HydrophobicContact CG2-CD2 4.37Å; I1105-L1107 HydrophobicContact CD1-CD2 4.13Å; I1105-L1107 HydrophobicContact CD1-CG 4.41Å; I1105-L1107 HydrophobicContact CG1-CD2 4.21Å; I1105-L1107 HydrophobicContact CG1-CG 4.22Å; L1107-N1110 WeakPolarHBondContact CA-ND2 3.48Å; L1107-N1110 WeakPolarHBondContact O-CB 3.49Å; L1107-N1110 PolarHBondContact O-ND2 3.42Å; L1107-I1120 HydrophobicContact CD1-CD1 3.51Å; L1107-I1120 HydrophobicContact CD1-CG1 4.39Å; L1107-V1133 HydrophobicContact CD1-CG1 4.38Å; L1107-E1134 WeakPolarHBondContact CA-O 3.39Å; L1107-E1134 PolarHBondContact N-O 3.4Å
1108	Q	92.8	Very high	86.7	Confident	76 Å²	76	50.7 Å²	50.7	36%	0.355	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	150.2	-179.5	-68.3	-177.8	-32	0	0	112.4	Q1080 E1081 N1106 N1110 E1134 I1135	Q1080-Q1108 CarbonylContact C-O 3.35Å; Q1080-Q1108 VanDerWaalsContact CA-O 3.22Å; Q1080-Q1108 WeakPolarHBondContact CA-O 3.42Å; Q1080-Q1108 HydrophobicContact CG-CB 4.2Å; Q1080-Q1108 WeakPolarHBondContact CG-O 3.15Å; E1081-Q1108 PolarHBondContact N-O 2.79Å; N1106-Q1108 WeakPolarHBondContact OD1-CB 3.1Å; N1106-Q1108 WeakPolarHBondContact OD1-CG 3.48Å; N1106-Q1108 PolarHBondContact OD1-N 3.2Å; Q1108-N1110 PolarHBondContact O-N 3.48Å; Q1108-N1110 PolarHBondContact O-ND2 2.91Å; Q1108-E1134 HydrophobicContact CG-CB 4.13Å; Q1108-I1135 WeakPolarHBondContact CA-OXT 3.21Å
1109	G	90.4	Very high	87.3	Confident	55 Å²	55	51.7 Å²	51.7	57%	0.567	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	19.3	175.7	0	0	0	0	0	114.9
1110	N	93.4	Very high	87.5	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.027	30%	0.303	C	S	.	.	S	Bend	trans	-98.5	0.1	-177.6	-79.4	-58.8	0	0	0	115.9	L1079 N1082 S1083 L1084 G1085 L1107 Q1108 I1112	L1079-N1110 PolarHBondContact O-ND2 2.91Å; L1079-N1110 PolarHBondContact O-OD1 3.28Å; N1082-N1110 VanDerWaalsContact C-OD1 3.29Å; N1082-N1110 WeakPolarHBondContact CA-OD1 3.44Å; N1082-N1110 WeakPolarHBondContact CB-OD1 3.25Å; N1082-N1110 PolarHBondContact N-OD1 2.76Å; S1083-N1110 PolarHBondContact N-OD1 3.43Å; L1084-N1110 HydrophobicContact CB-CB 4.12Å; L1084-N1110 HydrophobicContact CD1-CB 4.41Å; L1084-N1110 HydrophobicContact CG-CB 4.09Å; L1084-N1110 WeakPolarHBondContact CG-OD1 3.41Å; L1084-N1110 PolarHBondContact N-O 2.98Å; L1084-N1110 PolarHBondContact N-OD1 2.92Å; G1085-N1110 PolarHBondContact N-O 3.34Å; L1107-N1110 WeakPolarHBondContact CA-ND2 3.48Å; L1107-N1110 WeakPolarHBondContact O-CB 3.49Å; L1107-N1110 PolarHBondContact O-ND2 3.42Å; Q1108-N1110 PolarHBondContact O-N 3.48Å; Q1108-N1110 PolarHBondContact O-ND2 2.91Å; N1110-I1112 HydrophobicContact CB-CG2 3.66Å
1111	G	89.1	Confident	87.6	Confident	69 Å²	69	48.1 Å²	48.1	71%	0.711	29%	0.293	S	S	*	.			trans	64.2	39.4	179.9	0	0	0	0	0	113.3
1112	I	89.3	Confident	87.5	Confident	12 Å²	12	46.9 Å²	46.9	6%	0.062	29%	0.289	C	S	.	.			trans	-79.9	-17.5	-170.9	68.9	162.3	0	0	0	114.5	M1086 A1089 N1110 A1117 I1120 I1135	M1086-I1112 WeakPolarHBondContact CA-O 3.48Å; M1086-I1112 WeakPolarHBondContact CB-O 3.31Å; A1089-I1112 HydrophobicContact CB-CB 3.73Å; A1089-I1112 HydrophobicContact CB-CD1 4.25Å; A1089-I1112 HydrophobicContact CB-CG2 3.66Å; N1110-I1112 HydrophobicContact CB-CG2 3.66Å; I1112-A1117 HydrophobicContact CD1-CB 4.11Å; I1112-I1120 HydrophobicContact CD1-CD1 3.77Å; I1112-I1135 HydrophobicContact CD1-CG2 3.31Å; I1112-I1135 HydrophobicContact CG1-CG2 4.23Å
1113	G	86.1	Confident	87.1	Confident	42 Å²	42	46.8 Å²	46.8	43%	0.433	29%	0.289	S	S	.	.	H	α-helix	trans	69.9	167	-178.2	0	0	0	0	0	114.8	S1115 G1116 A1117	G1113-S1115 VanDerWaalsContact C-N 3.34Å; G1113-S1115 PolarHBondContact O-N 3.43Å; G1113-G1116 PolarHBondContact O-N 3.31Å; G1113-A1117 PolarHBondContact O-N 3.28Å
1114	E	82.9	Confident	86.5	Confident	176 Å²	176	44.8 Å²	44.8	82%	0.822	28%	0.276	S	S	*	.	H	α-helix	trans	-61.5	-39.8	-177.1	-170.5	-179.3	179.6	0	0	112.4	A1117 K1118	E1114-A1117 PolarHBondContact O-N 3.04Å; E1114-K1118 WeakPolarHBondContact O-CB 3.4Å; E1114-K1118 PolarHBondContact O-N 2.77Å
1115	S	81.8	Confident	85.7	Confident	72 Å²	72	49.9 Å²	49.9	50%	0.503	29%	0.294	S	S	.	.	H	α-helix	trans	-66.5	-40	177.8	-48.3	0	0	0	0	112.6	G1113 K1118 V1119	G1113-S1115 VanDerWaalsContact C-N 3.34Å; G1113-S1115 PolarHBondContact O-N 3.43Å; S1115-K1118 PolarHBondContact O-N 2.95Å; S1115-V1119 PolarHBondContact O-N 2.87Å; S1115-V1119 VanDerWaalsContact O-N 3.11Å; S1115-V1119 WeakPolarHBondContact O-CG2 3.5Å
1116	G	81.7	Confident	84.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-65.1	-42.6	175.3	0	0	0	0	0	111.9	G1113 K1118 V1119 I1120	G1113-G1116 PolarHBondContact O-N 3.31Å; G1116-K1118 PolarHBondContact O-N 3.19Å; G1116-V1119 PolarHBondContact O-N 3.16Å; G1116-I1120 WeakPolarHBondContact O-CG1 3.47Å; G1116-I1120 PolarHBondContact O-N 3.41Å; G1116-I1120 VanDerWaalsContact O-N 3.12Å
1117	A	84.6	Confident	83.6	Confident	28 Å²	28	57.6 Å²	57.6	23%	0.231	34%	0.339	C	S	.	.	H	α-helix	trans	-60.9	-43.1	174.5	0	0	0	0	0	112.3	I1112 G1113 E1114 V1119 I1120 S1121 I1135	I1112-A1117 HydrophobicContact CD1-CB 4.11Å; G1113-A1117 PolarHBondContact O-N 3.28Å; E1114-A1117 PolarHBondContact O-N 3.04Å; A1117-V1119 PolarHBondContact O-N 3.48Å; A1117-I1120 PolarHBondContact O-N 3.35Å; A1117-S1121 WeakPolarHBondContact O-CB 3.42Å; A1117-S1121 PolarHBondContact O-N 2.98Å; A1117-I1135 HydrophobicContact CB-CG2 3.87Å
1118	K	84.3	Confident	82.6	Confident	137 Å²	137	57.8 Å²	57.8	60%	0.596	34%	0.341	S	S	*	.	H	α-helix	trans	-60.4	-44.6	176.7	-173.3	175.7	-179.1	177.5	0	112.1	E1114 S1115 G1116 I1120 S1121 D1122	E1114-K1118 WeakPolarHBondContact O-CB 3.4Å; E1114-K1118 PolarHBondContact O-N 2.77Å; S1115-K1118 PolarHBondContact O-N 2.95Å; G1116-K1118 PolarHBondContact O-N 3.19Å; K1118-I1120 VanDerWaalsContact C-N 3.34Å; K1118-I1120 PolarHBondContact O-N 2.9Å; K1118-S1121 PolarHBondContact O-N 3.22Å; K1118-D1122 WeakPolarHBondContact O-CB 3.4Å; K1118-D1122 PolarHBondContact O-N 3.46Å
1119	V	85.7	Confident	81.5	Confident	55 Å²	55	58.7 Å²	58.7	33%	0.333	35%	0.353	S	S	.	.	H	α-helix	trans	-63.7	-40.4	179.3	175.5	0	0	0	0	111.4	I1090 A1093 S1115 G1116 A1117 A1123	I1090-V1119 HydrophobicContact CG1-CG1 4.35Å; I1090-V1119 HydrophobicContact CG1-CG2 4.49Å; A1093-V1119 HydrophobicContact CB-CG1 3.88Å; S1115-V1119 PolarHBondContact O-N 2.87Å; S1115-V1119 VanDerWaalsContact O-N 3.11Å; S1115-V1119 WeakPolarHBondContact O-CG2 3.5Å; G1116-V1119 PolarHBondContact O-N 3.16Å; A1117-V1119 PolarHBondContact O-N 3.48Å; V1119-A1123 VanDerWaalsContact O-CB 3.3Å; V1119-A1123 WeakPolarHBondContact O-CB 3.3Å; V1119-A1123 PolarHBondContact O-N 2.99Å
1120	I	84.9	Confident	80.9	Confident	0 Å²	0	63 Å²	63	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-64.6	-48.1	174.7	-66.3	161	0	0	0	110.3	A1089 A1093 L1107 I1112 G1116 A1117 K1118 D1122 A1123 I1124 V1133 I1135	A1089-I1120 HydrophobicContact CB-CD1 3.7Å; A1089-I1120 HydrophobicContact CB-CG1 4.47Å; A1093-I1120 HydrophobicContact CB-CB 4.37Å; A1093-I1120 HydrophobicContact CB-CG1 3.75Å; L1107-I1120 HydrophobicContact CD1-CD1 3.51Å; L1107-I1120 HydrophobicContact CD1-CG1 4.39Å; I1112-I1120 HydrophobicContact CD1-CD1 3.77Å; G1116-I1120 WeakPolarHBondContact O-CG1 3.47Å; G1116-I1120 PolarHBondContact O-N 3.41Å; G1116-I1120 VanDerWaalsContact O-N 3.12Å; A1117-I1120 PolarHBondContact O-N 3.35Å; K1118-I1120 VanDerWaalsContact C-N 3.34Å; K1118-I1120 PolarHBondContact O-N 2.9Å; I1120-D1122 PolarHBondContact O-N 3.12Å; I1120-A1123 PolarHBondContact O-N 3.27Å; I1120-I1124 HydrophobicContact CG2-CG1 4.29Å; I1120-I1124 PolarHBondContact O-N 3.06Å; I1120-I1124 WeakPolarHBondContact O-CG1 3.43Å; I1120-I1124 VanDerWaalsContact O-CG1 3.24Å; I1120-I1124 WeakPolarHBondContact O-CD1 3.4Å; I1120-I1124 VanDerWaalsContact CG2-CD1 3.5Å; I1120-I1124 HydrophobicContact CG2-CD1 3.5Å; I1120-V1133 HydrophobicContact CG2-CG1 3.86Å; I1120-I1135 HydrophobicContact CB-CD1 3.78Å; I1120-I1135 HydrophobicContact CG2-CG1 4.38Å; I1120-I1135 VanDerWaalsContact CG2-CD1 3.47Å; I1120-I1135 HydrophobicContact CD1-CD1 4.11Å; I1120-I1135 HydrophobicContact CG2-CD1 3.47Å
1121	S	80.9	Confident	80.3	Confident	52 Å²	52	63.2 Å²	63.2	36%	0.364	37%	0.365	S	S	.	.	H	α-helix	trans	-57.3	-46.4	178.7	-177.9	0	0	0	0	112.5	A1117 K1118 I1124 R1125	A1117-S1121 WeakPolarHBondContact O-CB 3.42Å; A1117-S1121 PolarHBondContact O-N 2.98Å; K1118-S1121 PolarHBondContact O-N 3.22Å; S1121-I1124 PolarHBondContact O-N 2.81Å; S1121-R1125 WeakPolarHBondContact O-CB 3.48Å; S1121-R1125 PolarHBondContact O-N 3.41Å; S1121-R1125 VanDerWaalsContact O-N 3.08Å; S1121-R1125 PolarHBondContact OG-NH2 3.02Å
1122	D	82.1	Confident	80.1	Confident	66 Å²	66	64.1 Å²	64.1	35%	0.353	36%	0.356	S	S	.	.	H	α-helix	trans	-67	-38.6	179.7	-71.3	-19.6	0	0	0	111.4	K1118 I1120 R1125 T1126	K1118-D1122 WeakPolarHBondContact O-CB 3.4Å; K1118-D1122 PolarHBondContact O-N 3.46Å; I1120-D1122 PolarHBondContact O-N 3.12Å; D1122-R1125 IonicContact OD1-CZ 3.59Å; D1122-R1125 IonicContact OD1-NH1 3.72Å; D1122-R1125 IonicContact OD1-NH2 3.51Å; D1122-R1125 PolarHBondContact OD1-NH2 3.49Å; D1122-T1126 PolarHBondContact O-N 3.37Å; D1122-T1126 PolarHBondContact O-OG1 3.43Å
1123	A	81	Confident	79.9	Confident	3 Å²	3	65 Å²	65	3%	0.025	36%	0.362	C	S	.	.	H	α-helix	trans	-64.7	-41.4	177.6	0	0	0	0	0	113	A1093 K1097 V1119 I1120 N1127	A1093-A1123 HydrophobicContact CB-CB 4.2Å; K1097-A1123 HydrophobicContact CG-CB 4.16Å; V1119-A1123 VanDerWaalsContact O-CB 3.3Å; V1119-A1123 WeakPolarHBondContact O-CB 3.3Å; V1119-A1123 PolarHBondContact O-N 2.99Å; I1120-A1123 PolarHBondContact O-N 3.27Å; A1123-N1127 PolarHBondContact O-N 3.47Å; A1123-N1127 VanDerWaalsContact O-N 3.1Å
1124	I	77	Confident	79.8	Confident	27 Å²	27	66.3 Å²	66.3	14%	0.138	36%	0.357	C	S	.	.	H	α-helix	trans	-65.8	-50	177.4	-64.7	157.3	0	0	0	110.2	I1120 S1121 T1126 N1127 S1128 V1133	I1120-I1124 HydrophobicContact CG2-CG1 4.29Å; I1120-I1124 PolarHBondContact O-N 3.06Å; I1120-I1124 WeakPolarHBondContact O-CG1 3.43Å; I1120-I1124 VanDerWaalsContact O-CG1 3.24Å; I1120-I1124 WeakPolarHBondContact O-CD1 3.4Å; I1120-I1124 VanDerWaalsContact CG2-CD1 3.5Å; I1120-I1124 HydrophobicContact CG2-CD1 3.5Å; S1121-I1124 PolarHBondContact O-N 2.81Å; I1124-T1126 PolarHBondContact O-N 3.31Å; I1124-N1127 PolarHBondContact O-N 3.04Å; I1124-S1128 WeakPolarHBondContact CG2-O 3.46Å; I1124-S1128 CarbonylContact O-C 3.51Å; I1124-S1128 VanDerWaalsContact O-C 3.23Å; I1124-S1128 PolarHBondContact O-N 3.28Å; I1124-V1133 HydrophobicContact CD1-CB 3.47Å; I1124-V1133 VanDerWaalsContact CD1-CB 3.47Å; I1124-V1133 HydrophobicContact CD1-CG1 3.92Å; I1124-V1133 HydrophobicContact CD1-CG2 3.2Å; I1124-V1133 HydrophobicContact CG1-CG2 3.8Å
1125	R	74.7	Confident	79.6	Confident	168 Å²	168	61.8 Å²	61.8	63%	0.634	34%	0.338	S	S	*	.	H	α-helix	trans	-58.5	-33.1	-176.6	-164.5	-175.2	-41.1	152	22.7	113.1	S1121 D1122	S1121-R1125 WeakPolarHBondContact O-CB 3.48Å; S1121-R1125 PolarHBondContact O-N 3.41Å; S1121-R1125 VanDerWaalsContact O-N 3.08Å; S1121-R1125 PolarHBondContact OG-NH2 3.02Å; D1122-R1125 IonicContact OD1-CZ 3.59Å; D1122-R1125 IonicContact OD1-NH1 3.72Å; D1122-R1125 IonicContact OD1-NH2 3.51Å; D1122-R1125 PolarHBondContact OD1-NH2 3.49Å
1126	T	71.7	Confident	79.5	Confident	102 Å²	102	61.3 Å²	61.3	63%	0.626	33%	0.33	S	S	*	.	H	α-helix	trans	-92.2	-32.3	-178.3	36.5	0	0	0	0	114.2	D1122 I1124	D1122-T1126 PolarHBondContact O-N 3.37Å; D1122-T1126 PolarHBondContact O-OG1 3.43Å; I1124-T1126 PolarHBondContact O-N 3.31Å
1127	N	69.9	Low	79.4	Confident	63 Å²	63	64.5 Å²	64.5	34%	0.337	35%	0.347	S	S	.	.	H	α-helix	trans	-134.1	-7.7	-165.1	-58	-68.2	0	0	0	115.5	K1097 H1100 A1123 I1124	K1097-N1127 HydrophobicContact CB-CB 4.41Å; H1100-N1127 PolarHBondContact CE1-O 3.41Å; H1100-N1127 PolarHBondContact ND1-O 3.05Å; A1123-N1127 PolarHBondContact O-N 3.47Å; A1123-N1127 VanDerWaalsContact O-N 3.1Å; I1124-N1127 PolarHBondContact O-N 3.04Å
1128	S	70.3	Confident	79.1	Confident	6 Å²	6	66.6 Å²	66.6	4%	0.042	35%	0.354	C	S	.	.			trans	-150.9	58.7	179.7	-60.3	0	0	0	0	111.9	L1096 I1124 D1130 C1131	L1096-S1128 PolarHBondContact O-OG 3.33Å; I1124-S1128 WeakPolarHBondContact CG2-O 3.46Å; I1124-S1128 CarbonylContact O-C 3.51Å; I1124-S1128 VanDerWaalsContact O-C 3.23Å; I1124-S1128 PolarHBondContact O-N 3.28Å; S1128-D1130 PolarHBondContact O-N 3.4Å; S1128-D1130 VanDerWaalsContact O-N 3.16Å; S1128-C1131 PolarHBondContact O-N 2.94Å
1129	P	70.6	Confident	78.8	Confident	95 Å²	95	62.4 Å²	62.4	62%	0.617	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.9	-172.3	27.1	-35.5	0	0	0	113.6
1130	D	77	Confident	78.4	Confident	145 Å²	145	62.9 Å²	62.9	78%	0.775	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-0.7	-177.7	-53.9	-46.9	0	0	0	113.7	S1128	S1128-D1130 PolarHBondContact O-N 3.4Å; S1128-D1130 VanDerWaalsContact O-N 3.16Å
1131	C	81.5	Confident	78	Confident	10 Å²	10	67.1 Å²	67.1	7%	0.068	36%	0.362	C	S	.	.			trans	-92	120.6	178	-174.7	0	0	0	0	111	L1102 T1103 S1128	L1102-C1131 WeakPolarHBondContact O-CB 3.36Å; L1102-C1131 PolarHBondContact O-SG 3.42Å; T1103-C1131 WeakPolarHBondContact O-CA 3.34Å; S1128-C1131 PolarHBondContact O-N 2.94Å
1132	V	84.6	Confident	77.8	Confident	87 Å²	87	68.1 Å²	68.1	53%	0.527	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	122	174.3	-179.7	0	0	0	0	109.2	T1103 Y1104 I1105	T1103-V1132 PolarHBondContact O-N 3.41Å; Y1104-V1132 WeakPolarHBondContact CA-O 3.48Å; Y1104-V1132 HydrophobicContact CD2-CB 4.26Å; Y1104-V1132 HydrophobicContact CD2-CG1 4.26Å; I1105-V1132 PolarHBondContact N-O 2.88Å
1133	V	83.8	Confident	77.4	Confident	30 Å²	30	68.3 Å²	68.3	18%	0.182	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	120.1	-177.2	-173.7	0	0	0	0	110.6	I1105 L1107 I1120 I1124 I1135	I1105-V1133 HydrophobicContact CG2-CB 4Å; I1105-V1133 HydrophobicContact CG2-CG1 3.66Å; I1105-V1133 HydrophobicContact CG2-CG2 3.52Å; I1105-V1133 VanDerWaalsContact O-CA 3.31Å; I1105-V1133 WeakPolarHBondContact O-CA 3.46Å; L1107-V1133 HydrophobicContact CD1-CG1 4.38Å; I1120-V1133 HydrophobicContact CG2-CG1 3.86Å; I1124-V1133 HydrophobicContact CD1-CB 3.47Å; I1124-V1133 VanDerWaalsContact CD1-CB 3.47Å; I1124-V1133 HydrophobicContact CD1-CG1 3.92Å; I1124-V1133 HydrophobicContact CD1-CG2 3.2Å; I1124-V1133 HydrophobicContact CG1-CG2 3.8Å; V1133-I1135 HydrophobicContact CG1-CD1 4.08Å; V1133-I1135 HydrophobicContact CG1-CG1 3.8Å
1134	E	84.7	Confident	77.1	Confident	70 Å²	70	73.8 Å²	73.8	33%	0.327	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.3	175.7	-66.6	178.2	164.7	0	0	108.9	Y1104 I1105 N1106 L1107 Q1108	Y1104-E1134 HydrophobicContact CE2-CG 4.33Å; Y1104-E1134 PolarHBondContact OH-OE2 3.34Å; I1105-E1134 PolarHBondContact O-N 3.49Å; N1106-E1134 HydrophobicContact CB-CB 4.21Å; N1106-E1134 PolarHBondContact ND2-OE2 3.11Å; L1107-E1134 WeakPolarHBondContact CA-O 3.39Å; L1107-E1134 PolarHBondContact N-O 3.4Å; Q1108-E1134 HydrophobicContact CG-CB 4.13Å
1135	I	79.8	Confident	77.1	Confident	82 Å²	82	78 Å²	78	42%	0.421	41%	0.414	S	S	.	.			trans	-123.8	0	-172.7	-64.3	176.8	0	0	0	110.8	Q1108 I1112 A1117 I1120 V1133	Q1108-I1135 WeakPolarHBondContact CA-OXT 3.21Å; I1112-I1135 HydrophobicContact CD1-CG2 3.31Å; I1112-I1135 HydrophobicContact CG1-CG2 4.23Å; A1117-I1135 HydrophobicContact CB-CG2 3.87Å; I1120-I1135 HydrophobicContact CB-CD1 3.78Å; I1120-I1135 HydrophobicContact CG2-CG1 4.38Å; I1120-I1135 VanDerWaalsContact CG2-CD1 3.47Å; I1120-I1135 HydrophobicContact CD1-CD1 4.11Å; I1120-I1135 HydrophobicContact CG2-CD1 3.47Å; V1133-I1135 HydrophobicContact CG1-CD1 4.08Å; V1133-I1135 HydrophobicContact CG1-CG1 3.8Å

Retrieved 1,135 of 1,135 residues in 3256 ms (Link to these results)

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