A0A024RA73_HUMAN Loading...

Nucleotide-binding oligomerization domain-containing protein 1

AlphaFold DB (Q9Y239), UniProt , Accession A0A024RA73, Species HUMAN (Homo sapiens, Human), Gene CARD4, Length 953 aa.

						>A0A024RA73_HUMAN|A0A024RA73|CARD4
MEEQGHSEMEIIPSESHPHIQLLKSNRELLVTHIRNTQCLVDNLLKNDYFSAEDAEIVCACPTQPDKVRKILDLVQSKGEEVSEFFLYLLQQLADAYVDLRPWLLEIGFSPSLLTQSKVVVNTDPVSRYTQQLRHHLGRDSKFVLCYAQKEELLLEEIYMDTIMELVGFSNESLGSLNSLACLLDHTTGILNEQGETIFILGDAGVGKSMLLQRLQSLWATGRLDAGVKFFFHFRCRMFSCFKESDRLCLQDLLFKHYCYPERDPEEVFAFLLRFPHVALFTFDGLDELHSDLDLSRVPDSSCPWEPAHPLVLLANLLSGKLLKGASKLLTARTGIEVPRQFLRKKVLLRGFSPSHLRAYARRMFPERALQDRLLSQLEANPNLCSLCSVPLFCWIIFRCFQHFRAAFEGSPQLPDCTMTLTDVFLLVTEVHLNRMQPSSLVQRNTRSPVETLHAGRDTLCSLGQVAHRGMEKSLFVFTQEEVQASGLQERDMQLGFLRALPELGPGGDQQSYEFFHLTLQAFFTAFFLVLDDRVGTQELLRFFQEWMPPAGAATTSCYPPFLPFQCLQGSGPAREDLFKNKDHFQFTNLFLCGLLSKAKQKLLRHLVPAAALRRKRKALWAHLFSSLRGYLKSLPRVQVESFNQVQAMPTFIWMLRCIYETQSQKVGQLAARGICANYLKLTYCNACSADCSALSFVLHHFPKRLALDLDNNNLNDYGVRELQPCFSRLTVLRLSVNQITDGGVKVLSEELTKYKIVTYLGLYNNQITDVGARYVTKILDECKGLTHLKLGKNKITSEGGKYLALAVKNSKSISEVGMWGNQVGDEGAKAFAEALRNHPSLTTLSLASNGISTEGGKSLARALQQNTSLEILWLTQNELNDEVAESLAEMLKVNQTLKHLWLIQNQITAKGTAQLADALQSNTGITEICLNGNLIKPEEAKVYEDEKRIICF
					

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(Predicted Aligned Error values between residue pairs)

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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	35.4	Very low	33.2	Very low	241 Å²	241	166.2 Å²	166.2	100%	1.187	85%	0.849	S	S	*	*				0	84.1	0	-114.2	-179.5	76.4	0	0	106.7
2	E	35.2	Very low	33	Very low	183 Å²	183	163.9 Å²	163.9	86%	0.855	84%	0.838	S	S	*	*			trans	-167.4	82.5	162.1	-109.3	174.2	-162.8	0	0	103.1	Q4	E2-Q4 PolarHBondContact O-N 3.22Å; E2-Q4 VanDerWaalsContact O-N 3.14Å
3	E	35.7	Very low	33.1	Very low	197 Å²	197	159.5 Å²	159.5	92%	0.921	83%	0.827	S	S	*	*			trans	-67.3	98.4	171.8	-71.5	174.1	154.9	0	0	107.1	G5	E3-G5 PolarHBondContact O-N 3.17Å
4	Q	36	Very low	33.4	Very low	179 Å²	179	155.2 Å²	155.2	84%	0.836	82%	0.817	S	S	*	*			trans	-77.9	100.9	162.5	-77.3	-174.1	-11.9	0	0	106.8	E2 H6	E2-Q4 PolarHBondContact O-N 3.22Å; E2-Q4 VanDerWaalsContact O-N 3.14Å; Q4-H6 PolarHBondContact O-N 3.21Å; Q4-H6 VanDerWaalsContact O-N 3.12Å
5	G	32.8	Very low	33.7	Very low	70 Å²	70	155.2 Å²	155.2	72%	0.722	81%	0.811	S	S	*	*			trans	-47.6	116.5	178.2	0	0	0	0	0	110.7	E3 S7	E3-G5 PolarHBondContact O-N 3.17Å; G5-S7 PolarHBondContact O-N 3.18Å
6	H	33.1	Very low	34.7	Very low	182 Å²	182	152.5 Å²	152.5	84%	0.843	81%	0.809	S	S	*	*			trans	-59.6	98.4	151.6	-75.2	-67.7	0	0	0	105.6	Q4 E8	Q4-H6 PolarHBondContact O-N 3.21Å; Q4-H6 VanDerWaalsContact O-N 3.12Å; H6-E8 PolarHBondContact O-N 3.05Å
7	S	31.8	Very low	36	Very low	104 Å²	104	149.1 Å²	149.1	73%	0.727	79%	0.787	S	S	*	*			trans	-54.4	94.5	155.6	-178.5	0	0	0	0	104.8	G5 M9	G5-S7 PolarHBondContact O-N 3.18Å; S7-M9 PolarHBondContact O-N 3.23Å
8	E	31.4	Very low	38.5	Very low	175 Å²	175	144.2 Å²	144.2	82%	0.818	77%	0.766	S	S	*	*			trans	-51.8	94.7	154.2	-71.8	-179.9	161.1	0	0	103.9	H6 E10	H6-E8 PolarHBondContact O-N 3.05Å; E8-E10 PolarHBondContact O-N 3.15Å
9	M	32.1	Very low	41	Very low	166 Å²	166	138.8 Å²	138.8	82%	0.818	74%	0.736	S	S	*	*			trans	-51.7	106.1	158	-90.6	178.8	149.5	0	0	103.2	S7 I11	S7-M9 PolarHBondContact O-N 3.23Å; M9-I11 PolarHBondContact O-N 2.92Å
10	E	29	Very low	43.3	Very low	177 Å²	177	133.5 Å²	133.5	83%	0.827	71%	0.707	S	S	*	*			trans	-49.2	97.7	162.7	-74	179.2	151.9	0	0	104.9	E8 I12	E8-E10 PolarHBondContact O-N 3.15Å; E10-I12 PolarHBondContact O-N 2.92Å
11	I	33.1	Very low	45.4	Very low	154 Å²	154	132 Å²	132	79%	0.79	70%	0.697	S	S	*	*			trans	-65.9	87.8	164.9	-60.7	172.5	0	0	0	101.9	M9 P13	M9-I11 PolarHBondContact O-N 2.92Å; I11-P13 VanDerWaalsContact O-CD 3.24Å; I11-P13 WeakPolarHBondContact O-CD 3.37Å
12	I	30.3	Very low	47.9	Very low	139 Å²	139	122 Å²	122	71%	0.713	65%	0.647	S	S	*	*			trans	-48.2	113.5	162.7	-62.1	171.1	0	0	0	102.9	E10 S14	E10-I12 PolarHBondContact O-N 2.92Å; I12-S14 VanDerWaalsContact C-N 3.34Å; I12-S14 PolarHBondContact O-N 2.96Å
13	P	33.9	Very low	50.5	Low	107 Å²	107	113.2 Å²	113.2	70%	0.695	61%	0.607	S	S	*	*			trans	-58.4	108.8	-178.2	21.2	-29	0	0	0	104.9	I11 E15	I11-P13 VanDerWaalsContact O-CD 3.24Å; I11-P13 WeakPolarHBondContact O-CD 3.37Å; P13-E15 PolarHBondContact O-N 3.41Å
14	S	37.6	Very low	53	Low	99 Å²	99	109.7 Å²	109.7	69%	0.692	59%	0.588	S	S	*	*			trans	-49.4	114.7	176.1	53.2	0	0	0	0	104.7	I12 S16	I12-S14 VanDerWaalsContact C-N 3.34Å; I12-S14 PolarHBondContact O-N 2.96Å; S14-S16 PolarHBondContact O-N 3.11Å
15	E	38.8	Very low	55.5	Low	155 Å²	155	105.3 Å²	105.3	72%	0.724	58%	0.577	S	S	*	*			trans	-42.4	116.7	168.7	-73.4	-177.4	155.7	0	0	105	P13 H17	P13-E15 PolarHBondContact O-N 3.41Å; E15-H17 PolarHBondContact O-N 3.32Å
16	S	49.1	Very low	58.2	Low	112 Å²	112	103.9 Å²	103.9	78%	0.783	55%	0.553	S	S	*	*			trans	-65.7	85	-173.4	54.8	0	0	0	0	106.4	S14 P18	S14-S16 PolarHBondContact O-N 3.11Å; S16-P18 WeakPolarHBondContact O-CD 3.37Å
17	H	57.3	Low	61	Low	94 Å²	94	98 Å²	98	44%	0.435	52%	0.523	S	S	.	.			trans	-59.3	124.5	175.2	-77	-51.8	0	0	0	104.9	E15 H19 L22	E15-H17 PolarHBondContact O-N 3.32Å; H17-H19 PolarHBondContact O-N 3.29Å; H17-L22 HydrophobicContact CB-CD1 4Å; H17-L22 HydrophobicContact CB-CG 4.03Å
18	P	81.4	Confident	63.7	Low	62 Å²	62	100.9 Å²	100.9	40%	0.403	53%	0.525	S	S	.	.			trans	-47.8	129.4	171.8	-20.5	28.2	0	0	0	107.8	S16 I20 Q21 L22 E80	S16-P18 WeakPolarHBondContact O-CD 3.37Å; P18-I20 PolarHBondContact O-N 3.09Å; P18-I20 VanDerWaalsContact O-N 3.15Å; P18-Q21 HydrophobicContact CB-CB 4.19Å; P18-Q21 HydrophobicContact CG-CB 4.38Å; P18-Q21 WeakPolarHBondContact O-CA 3.49Å; P18-Q21 VanDerWaalsContact O-CB 3.26Å; P18-Q21 WeakPolarHBondContact O-CB 3.44Å; P18-Q21 PolarHBondContact O-N 3.37Å; P18-L22 PolarHBondContact O-N 3.39Å; P18-L22 VanDerWaalsContact O-N 3.07Å; P18-E80 WeakPolarHBondContact CA-OE1 3.46Å; P18-E80 WeakPolarHBondContact CB-OE1 3.44Å
19	H	86.1	Confident	66.5	Low	41 Å²	41	95.2 Å²	95.2	19%	0.19	50%	0.5	C	S	.	.	H	α-helix	trans	-57.3	-31.3	-178.9	-56.6	-69.1	0	0	0	110.6	H17 Q21 L22 L23 E80 L87 F109	H17-H19 PolarHBondContact O-N 3.29Å; H19-Q21 VanDerWaalsContact C-N 3.29Å; H19-Q21 PolarHBondContact O-N 3.2Å; H19-L22 WeakPolarHBondContact O-CB 3.44Å; H19-L22 PolarHBondContact O-N 3.42Å; H19-L23 WeakPolarHBondContact O-CG 3.39Å; H19-L23 PolarHBondContact O-N 3.27Å; H19-E80 WeakPolarHBondContact CA-OE2 3.21Å; H19-E80 WeakPolarHBondContact CB-OE2 3.24Å; H19-E80 IonicContact CD2-OE2 2.72Å; H19-E80 PolarHBondContact CD2-OE2 2.99Å; H19-E80 IonicContact CG-OE2 3.02Å; H19-E80 PolarHBondContact N-OE1 3.22Å; H19-E80 PolarHBondContact N-OE2 2.88Å; H19-L87 HydrophobicContact CB-CD1 4.05Å; H19-F109 AromaticContact CE1-CE2 3.67Å; H19-F109 AromaticContact ND1-CE2 3.76Å
20	I	86.5	Confident	69.3	Low	32 Å²	32	87.3 Å²	87.3	16%	0.164	46%	0.461	C	S	.	.	H	α-helix	trans	-58.2	-42.6	170.5	-65.2	169.7	0	0	0	111	P18 L23 K24 Q76 E80 S83	P18-I20 PolarHBondContact O-N 3.09Å; P18-I20 VanDerWaalsContact O-N 3.15Å; I20-L23 PolarHBondContact O-N 2.92Å; I20-K24 HydrophobicContact CG2-CD 4.12Å; I20-K24 WeakPolarHBondContact O-CB 3.44Å; I20-K24 VanDerWaalsContact O-CG 3.3Å; I20-K24 WeakPolarHBondContact O-CG 3.48Å; I20-K24 PolarHBondContact O-N 3.42Å; I20-Q76 HydrophobicContact CG2-CB 4.28Å; I20-Q76 HydrophobicContact CG2-CG 4.15Å; I20-E80 WeakPolarHBondContact CB-OE1 3.43Å; I20-E80 HydrophobicContact CD1-CG 3.9Å; I20-E80 VanDerWaalsContact CD1-OE1 3.31Å; I20-E80 WeakPolarHBondContact CD1-OE1 3.45Å; I20-E80 HydrophobicContact CG1-CG 4.27Å; I20-E80 WeakPolarHBondContact CG1-OE1 3.33Å; I20-E80 PolarHBondContact N-OE1 3.47Å; I20-E80 VanDerWaalsContact N-OE1 3.08Å; I20-E80 PolarHBondContact N-OE2 3.13Å; I20-S83 VanDerWaalsContact CG1-OG 3.32Å; I20-S83 WeakPolarHBondContact CG1-OG 3.45Å
21	Q	87.4	Confident	72.2	Confident	104 Å²	104	79.6 Å²	79.6	49%	0.486	43%	0.427	S	S	.	.	H	α-helix	trans	-66.8	-41.5	178.2	-168.9	178.1	4.2	0	0	111.3	P18 H19 L23 K24 S25	P18-Q21 HydrophobicContact CB-CB 4.19Å; P18-Q21 HydrophobicContact CG-CB 4.38Å; P18-Q21 WeakPolarHBondContact O-CA 3.49Å; P18-Q21 VanDerWaalsContact O-CB 3.26Å; P18-Q21 WeakPolarHBondContact O-CB 3.44Å; P18-Q21 PolarHBondContact O-N 3.37Å; H19-Q21 VanDerWaalsContact C-N 3.29Å; H19-Q21 PolarHBondContact O-N 3.2Å; Q21-L23 PolarHBondContact O-N 2.91Å; Q21-K24 PolarHBondContact O-N 3.17Å; Q21-K24 VanDerWaalsContact O-N 3.16Å; Q21-S25 PolarHBondContact O-N 2.96Å; Q21-S25 PolarHBondContact O-OG 2.72Å; Q21-S25 VanDerWaalsContact O-OG 3.09Å
22	L	88	Confident	74.8	Confident	29 Å²	29	76.4 Å²	76.4	15%	0.152	41%	0.414	C	S	.	.	H	α-helix	trans	-58.3	-44.5	173.7	-86.3	153.5	0	0	0	112.2	H17 P18 H19 K24 S25 N26 I107	H17-L22 HydrophobicContact CB-CD1 4Å; H17-L22 HydrophobicContact CB-CG 4.03Å; P18-L22 PolarHBondContact O-N 3.39Å; P18-L22 VanDerWaalsContact O-N 3.07Å; H19-L22 WeakPolarHBondContact O-CB 3.44Å; H19-L22 PolarHBondContact O-N 3.42Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 3.47Å; L22-S25 PolarHBondContact O-OG 2.92Å; L22-S25 VanDerWaalsContact O-OG 3.13Å; L22-N26 WeakPolarHBondContact O-CB 3.29Å; L22-N26 PolarHBondContact O-N 2.95Å; L22-N26 VanDerWaalsContact O-N 3.14Å; L22-N26 PolarHBondContact O-ND2 2.99Å; L22-I107 HydrophobicContact CD2-CB 4.35Å; L22-I107 HydrophobicContact CD2-CG2 4.12Å
23	L	88.9	Confident	77.4	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-68	-30.9	176.3	-65.1	-179.4	0	0	0	112.5	H19 I20 Q21 R27 L30 L72 V75 Q76 F86 L87	H19-L23 WeakPolarHBondContact O-CG 3.39Å; H19-L23 PolarHBondContact O-N 3.27Å; I20-L23 PolarHBondContact O-N 2.92Å; Q21-L23 PolarHBondContact O-N 2.91Å; L23-R27 WeakPolarHBondContact O-CA 3.5Å; L23-R27 WeakPolarHBondContact O-CB 3.36Å; L23-R27 PolarHBondContact O-N 3.33Å; L23-L30 HydrophobicContact CD2-CD1 3.54Å; L23-L72 HydrophobicContact CD2-CD2 4.41Å; L23-V75 HydrophobicContact CD1-CG1 3.8Å; L23-Q76 HydrophobicContact CB-CG 4.46Å; L23-F86 HydrophobicContact CD1-CD1 4.17Å; L23-F86 HydrophobicContact CD2-CD1 3.68Å; L23-F86 HydrophobicContact CD2-CE1 3.84Å; L23-L87 HydrophobicContact CD2-CD2 3.73Å; L23-L87 HydrophobicContact CD2-CG 4.19Å
24	K	88.5	Confident	79.9	Confident	123 Å²	123	68 Å²	68	54%	0.535	36%	0.363	S	S	.	.	H	α-helix	trans	-73.3	-46.6	176.4	-78	175.9	-179.5	176.6	0	112.2	I20 Q21 L22 N26 R27 Q76	I20-K24 HydrophobicContact CG2-CD 4.12Å; I20-K24 WeakPolarHBondContact O-CB 3.44Å; I20-K24 VanDerWaalsContact O-CG 3.3Å; I20-K24 WeakPolarHBondContact O-CG 3.48Å; I20-K24 PolarHBondContact O-N 3.42Å; Q21-K24 PolarHBondContact O-N 3.17Å; Q21-K24 VanDerWaalsContact O-N 3.16Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 3.47Å; K24-N26 VanDerWaalsContact C-N 3.33Å; K24-R27 WeakPolarHBondContact O-CB 3.47Å; K24-R27 PolarHBondContact O-N 3.19Å; K24-Q76 VanDerWaalsContact CG-OE1 3.29Å
25	S	87.8	Confident	81.9	Confident	87 Å²	87	70.8 Å²	70.8	61%	0.608	36%	0.358	S	S	*	.	H	α-helix	trans	-67	-35.7	-179.5	54.7	0	0	0	0	112.2	Q21 L22	Q21-S25 PolarHBondContact O-N 2.96Å; Q21-S25 PolarHBondContact O-OG 2.72Å; Q21-S25 VanDerWaalsContact O-OG 3.09Å; L22-S25 PolarHBondContact O-OG 2.92Å; L22-S25 VanDerWaalsContact O-OG 3.13Å
26	N	90.4	Very high	84	Confident	39 Å²	39	64.7 Å²	64.7	21%	0.209	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	20	-179.3	-60.5	-80.6	0	0	0	113.3	L22 K24 E28 L29 L30 W103	L22-N26 WeakPolarHBondContact O-CB 3.29Å; L22-N26 PolarHBondContact O-N 2.95Å; L22-N26 VanDerWaalsContact O-N 3.14Å; L22-N26 PolarHBondContact O-ND2 2.99Å; K24-N26 VanDerWaalsContact C-N 3.33Å; N26-E28 VanDerWaalsContact C-N 3.31Å; N26-E28 PolarHBondContact O-N 2.89Å; N26-L29 PolarHBondContact O-N 3.46Å; N26-L30 WeakPolarHBondContact O-CG 3.49Å; N26-L30 PolarHBondContact O-N 2.74Å; N26-W103 HydrophobicContact CB-CZ2 3.65Å; N26-W103 PolarHBondContact OD1-NE1 3.29Å
27	R	91	Very high	85.8	Confident	59 Å²	59	59.6 Å²	59.6	22%	0.223	30%	0.295	C	S	.	.	H	α-helix	trans	-58.8	-41.5	-173.4	-172.3	172.6	-179.8	106.8	-1.1	112.6	L23 K24 L30 V31 R69 L72 D73	L23-R27 WeakPolarHBondContact O-CA 3.5Å; L23-R27 WeakPolarHBondContact O-CB 3.36Å; L23-R27 PolarHBondContact O-N 3.33Å; K24-R27 WeakPolarHBondContact O-CB 3.47Å; K24-R27 PolarHBondContact O-N 3.19Å; R27-L30 PolarHBondContact O-N 3.49Å; R27-V31 HydrophobicContact CG-CG2 4.36Å; R27-V31 WeakPolarHBondContact O-CB 3.2Å; R27-V31 WeakPolarHBondContact O-CG2 3.37Å; R27-V31 PolarHBondContact O-N 2.89Å; R27-R69 PolarHBondContact NH2-O 3.13Å; R27-L72 HydrophobicContact CG-CD1 3.99Å; R27-D73 IonicContact CZ-OD1 2.68Å; R27-D73 IonicContact NH1-OD1 3.77Å; R27-D73 PolarHBondContact NH1-OD1 3.08Å; R27-D73 IonicContact NH2-OD1 3.36Å; R27-D73 PolarHBondContact NH2-OD1 3.04Å; R27-D73 IonicContact NH2-OD2 3.33Å; R27-D73 PolarHBondContact NH2-OD2 3.2Å
28	E	89.5	Confident	87.1	Confident	165 Å²	165	59.5 Å²	59.5	77%	0.771	29%	0.294	S	S	*	.	H	α-helix	trans	-63.3	-44.8	179.1	-175.1	174.5	-173.4	0	0	112.2	N26 V31 T32	N26-E28 VanDerWaalsContact C-N 3.31Å; N26-E28 PolarHBondContact O-N 2.89Å; E28-V31 PolarHBondContact O-N 3.31Å; E28-T32 WeakPolarHBondContact O-CB 3.47Å; E28-T32 PolarHBondContact O-N 3.11Å; E28-T32 PolarHBondContact O-OG1 2.79Å
29	L	90.3	Very high	87.4	Confident	55 Å²	55	56.5 Å²	56.5	29%	0.288	28%	0.275	S	S	.	.	H	α-helix	trans	-60.1	-47.5	176.9	-179.9	146.9	0	0	0	111	N26 T32 H33 L100 W103	N26-L29 PolarHBondContact O-N 3.46Å; L29-T32 PolarHBondContact O-N 2.88Å; L29-H33 PolarHBondContact O-CD2 2.64Å; L29-H33 PolarHBondContact O-N 3.26Å; L29-L100 HydrophobicContact CD2-CD2 3.33Å; L29-L100 HydrophobicContact CG-CD2 4.43Å; L29-W103 HydrophobicContact CD1-CB 4.34Å; L29-W103 HydrophobicContact CD1-CG 4.19Å; L29-W103 HydrophobicContact CD2-CB 4.24Å; L29-W103 HydrophobicContact CD2-CD2 3.82Å; L29-W103 HydrophobicContact CD2-CE3 4.15Å; L29-W103 HydrophobicContact CD2-CG 3.85Å
30	L	91	Very high	87.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.9	-44.2	178.8	-67.2	172.8	0	0	0	112.5	L23 N26 R27 T32 H33 I34 L72 F86 L90 L100 W103	L23-L30 HydrophobicContact CD2-CD1 3.54Å; N26-L30 WeakPolarHBondContact O-CG 3.49Å; N26-L30 PolarHBondContact O-N 2.74Å; R27-L30 PolarHBondContact O-N 3.49Å; L30-T32 PolarHBondContact O-N 2.93Å; L30-H33 PolarHBondContact O-N 3.38Å; L30-I34 HydrophobicContact CB-CD1 4.06Å; L30-I34 HydrophobicContact CD2-CD1 4.14Å; L30-I34 VanDerWaalsContact O-CB 3.27Å; L30-I34 WeakPolarHBondContact O-CB 3.35Å; L30-I34 WeakPolarHBondContact O-CG1 3.48Å; L30-I34 PolarHBondContact O-N 3.26Å; L30-L72 HydrophobicContact CB-CD1 4.04Å; L30-L72 HydrophobicContact CD1-CD1 4.43Å; L30-L72 HydrophobicContact CD1-CD2 3.95Å; L30-F86 HydrophobicContact CD1-CE1 4.42Å; L30-L90 HydrophobicContact CD2-CD1 3.87Å; L30-L100 HydrophobicContact CD2-CD1 3.89Å; L30-L100 HydrophobicContact CD2-CD2 4.11Å; L30-W103 HydrophobicContact CD1-CH2 4.3Å; L30-W103 HydrophobicContact CD2-CE3 4.35Å; L30-W103 HydrophobicContact CD2-CH2 3.81Å; L30-W103 HydrophobicContact CD2-CZ3 3.65Å; L30-W103 HydrophobicContact CG-CH2 4.34Å
31	V	89.6	Confident	87.7	Confident	16 Å²	16	53.2 Å²	53.2	10%	0.097	26%	0.259	C	S	.	.	H	α-helix	trans	-63.1	-31	176.8	172.7	0	0	0	0	111.8	R27 E28 P65 V68 R69 L72	R27-V31 HydrophobicContact CG-CG2 4.36Å; R27-V31 WeakPolarHBondContact O-CB 3.2Å; R27-V31 WeakPolarHBondContact O-CG2 3.37Å; R27-V31 PolarHBondContact O-N 2.89Å; E28-V31 PolarHBondContact O-N 3.31Å; V31-P65 HydrophobicContact CG1-CB 3.82Å; V31-V68 HydrophobicContact CB-CG1 4.45Å; V31-V68 HydrophobicContact CG2-CB 4.44Å; V31-V68 HydrophobicContact CG2-CG1 4Å; V31-R69 HydrophobicContact CG1-CG 4.19Å; V31-R69 HydrophobicContact CG2-CG 3.63Å; V31-L72 HydrophobicContact CG2-CD1 3.93Å
32	T	87.2	Confident	87.8	Confident	87 Å²	87	50.5 Å²	50.5	53%	0.534	25%	0.248	S	C	.	.	H	α-helix	trans	-78.1	-38.7	-179.6	-57	0	0	0	0	112.4	E28 L29 L30	E28-T32 WeakPolarHBondContact O-CB 3.47Å; E28-T32 PolarHBondContact O-N 3.11Å; E28-T32 PolarHBondContact O-OG1 2.79Å; L29-T32 PolarHBondContact O-N 2.88Å; L30-T32 PolarHBondContact O-N 2.93Å
33	H	86	Confident	88	Confident	64 Å²	64	49.1 Å²	49.1	30%	0.296	24%	0.241	S	C	.	.	H	α-helix	trans	-102.2	-19.1	-170.6	-69.7	-68.3	0	0	0	115.1	L29 L30 R35 D99 L100	L29-H33 PolarHBondContact O-CD2 2.64Å; L29-H33 PolarHBondContact O-N 3.26Å; L30-H33 PolarHBondContact O-N 3.38Å; H33-R35 PolarHBondContact O-N 3.15Å; H33-D99 HydrophobicContact CB-CB 4.03Å; H33-D99 WeakPolarHBondContact ND1-CB 3.31Å; H33-D99 IonicContact ND1-OD2 3.97Å; H33-L100 HydrophobicContact CB-CD2 3.6Å; H33-L100 HydrophobicContact CB-CG 3.98Å
34	I	85.6	Confident	88.2	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.026	24%	0.241	C	C	.	.			trans	-78.3	107.7	174.2	-63.4	174.2	0	0	0	109.2	L30 L40 V68 F86 L90 Y97 L100	L30-I34 HydrophobicContact CB-CD1 4.06Å; L30-I34 HydrophobicContact CD2-CD1 4.14Å; L30-I34 VanDerWaalsContact O-CB 3.27Å; L30-I34 WeakPolarHBondContact O-CB 3.35Å; L30-I34 WeakPolarHBondContact O-CG1 3.48Å; L30-I34 PolarHBondContact O-N 3.26Å; I34-L40 HydrophobicContact CD1-CD1 4.21Å; I34-L40 HydrophobicContact CG2-CD1 3.54Å; I34-V68 HydrophobicContact CB-CG1 4.05Å; I34-V68 HydrophobicContact CB-CG2 3.85Å; I34-V68 HydrophobicContact CD1-CG1 4Å; I34-V68 HydrophobicContact CG2-CG1 4.34Å; I34-V68 HydrophobicContact CG2-CG2 3.7Å; I34-V68 WeakPolarHBondContact O-CG2 3.49Å; I34-F86 HydrophobicContact CD1-CE1 4.29Å; I34-F86 HydrophobicContact CD1-CZ 3.67Å; I34-L90 HydrophobicContact CD1-CD2 4.25Å; I34-L90 HydrophobicContact CG1-CD2 4.39Å; I34-Y97 HydrophobicContact CG2-CE1 4.12Å; I34-L100 HydrophobicContact CD1-CD1 4.47Å; I34-L100 HydrophobicContact CG1-CD1 3.84Å
35	R	80.3	Confident	88.3	Confident	157 Å²	157	45.9 Å²	45.9	59%	0.592	23%	0.229	S	C	*	.			trans	-102.7	-31.8	179.7	-61.1	-175.6	-174.6	-177.8	5.1	114	H33	H33-R35 PolarHBondContact O-N 3.15Å
36	N	82.5	Confident	88.4	Confident	27 Å²	27	47.3 Å²	47.3	14%	0.144	22%	0.224	C	C	.	.			trans	-100.6	102.4	175.2	-173.6	-20.8	0	0	0	109.8	Q38 C39 Y97 D124	N36-Q38 PolarHBondContact OD1-N 2.91Å; N36-C39 PolarHBondContact OD1-N 3.01Å; N36-Y97 PolarHBondContact O-OH 2.74Å; N36-Y97 VanDerWaalsContact O-OH 3.12Å; N36-D124 WeakPolarHBondContact ND2-CB 3.12Å; N36-D124 VanDerWaalsContact ND2-CG 3.35Å; N36-D124 PolarHBondContact ND2-OD1 2.63Å
37	T	86.2	Confident	88.4	Confident	6 Å²	6	46.3 Å²	46.3	4%	0.037	22%	0.219	C	C	.	.			trans	-84	-28.3	175.6	56.1	0	0	0	0	112.9	C39 L40 V41 Q64 K67 V68 I71	T37-C39 VanDerWaalsContact C-N 3.34Å; T37-C39 PolarHBondContact O-N 3.04Å; T37-L40 PolarHBondContact O-N 3.23Å; T37-V41 WeakPolarHBondContact O-CG2 3.23Å; T37-V41 PolarHBondContact O-N 3.47Å; T37-Q64 VanDerWaalsContact CG2-OE1 3.27Å; T37-Q64 PolarHBondContact OG1-OE1 3.28Å; T37-K67 HydrophobicContact CG2-CB 3.82Å; T37-V68 HydrophobicContact CG2-CG2 3.56Å; T37-I71 HydrophobicContact CG2-CD1 3.92Å
38	Q	85.9	Confident	88.3	Confident	91 Å²	91	50.6 Å²	50.6	43%	0.425	25%	0.246	S	C	.	.	H	α-helix	trans	-63.3	-42.7	-176.1	-170.1	61.8	40.8	0	0	111	N36 L40 V41 D42	N36-Q38 PolarHBondContact OD1-N 2.91Å; Q38-L40 VanDerWaalsContact C-N 3.29Å; Q38-L40 PolarHBondContact O-N 3.43Å; Q38-V41 PolarHBondContact O-N 2.83Å; Q38-D42 PolarHBondContact NE2-OD1 3.12Å; Q38-D42 PolarHBondContact O-N 3.03Å
39	C	86.3	Confident	88.3	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-35.5	178.6	-172	0	0	0	0	112.6	N36 T37 N43 L93 T123 D124	N36-C39 PolarHBondContact OD1-N 3.01Å; T37-C39 VanDerWaalsContact C-N 3.34Å; T37-C39 PolarHBondContact O-N 3.04Å; C39-N43 PolarHBondContact O-N 3.09Å; C39-N43 PolarHBondContact O-ND2 2.77Å; C39-L93 VanDerWaalsContact SG-CD1 3.56Å; C39-T123 WeakPolarHBondContact CA-OG1 3.39Å; C39-D124 HydrophobicContact CB-CB 4.32Å
40	L	90.4	Very high	88.4	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-66.7	-48.1	173.3	-61.8	171.7	0	0	0	111.2	I34 T37 Q38 D42 N43 L44 F86 L89 L90 Y97	I34-L40 HydrophobicContact CD1-CD1 4.21Å; I34-L40 HydrophobicContact CG2-CD1 3.54Å; T37-L40 PolarHBondContact O-N 3.23Å; Q38-L40 VanDerWaalsContact C-N 3.29Å; Q38-L40 PolarHBondContact O-N 3.43Å; L40-D42 PolarHBondContact O-N 3.06Å; L40-N43 PolarHBondContact O-N 3.39Å; L40-L44 WeakPolarHBondContact O-CB 3.35Å; L40-L44 WeakPolarHBondContact O-CD1 3.39Å; L40-L44 VanDerWaalsContact O-CG 3.24Å; L40-L44 WeakPolarHBondContact O-CG 3.11Å; L40-L44 PolarHBondContact O-N 3.19Å; L40-F86 HydrophobicContact CD1-CE2 3.85Å; L40-F86 HydrophobicContact CD1-CZ 4.23Å; L40-F86 HydrophobicContact CD2-CE2 4.26Å; L40-F86 HydrophobicContact CG-CE2 4.5Å; L40-L89 HydrophobicContact CD2-CB 4.43Å; L40-L90 HydrophobicContact CD2-CD2 4.06Å; L40-Y97 HydrophobicContact CD1-CE1 4.42Å; L40-Y97 HydrophobicContact CD2-CE1 4.43Å; L40-Y97 HydrophobicContact CD2-CE2 3.97Å; L40-Y97 WeakPolarHBondContact CD2-OH 3.16Å; L40-Y97 HydrophobicContact CG-CE1 4.39Å; L40-Y97 VanDerWaalsContact CG-OH 3.26Å; L40-Y97 WeakPolarHBondContact CG-OH 3.49Å
41	V	89.7	Confident	88.4	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-61.1	-45.1	-179.6	173.8	0	0	0	0	111.2	T37 Q38 N43 L44 L45 A55 V58 I71	T37-V41 WeakPolarHBondContact O-CG2 3.23Å; T37-V41 PolarHBondContact O-N 3.47Å; Q38-V41 PolarHBondContact O-N 2.83Å; V41-N43 VanDerWaalsContact C-N 3.31Å; V41-N43 PolarHBondContact O-N 3.1Å; V41-L44 PolarHBondContact O-N 2.82Å; V41-L45 HydrophobicContact CG1-CD1 3.86Å; V41-L45 HydrophobicContact CG1-CG 4.26Å; V41-L45 WeakPolarHBondContact O-CB 3.41Å; V41-L45 WeakPolarHBondContact O-CG 3.36Å; V41-L45 PolarHBondContact O-N 3.23Å; V41-A55 HydrophobicContact CG1-CB 3.58Å; V41-V58 HydrophobicContact CG2-CB 4.33Å; V41-V58 HydrophobicContact CG2-CG1 3.89Å; V41-I71 HydrophobicContact CG2-CD1 3.91Å; V41-I71 HydrophobicContact CG2-CG1 4.19Å
42	D	89.2	Confident	88.4	Confident	47 Å²	47	46.2 Å²	46.2	25%	0.251	24%	0.239	S	C	.	.	H	α-helix	trans	-59.4	-41.8	179.1	-65	-18.2	0	0	0	112	Q38 L40 K46 T123	Q38-D42 PolarHBondContact NE2-OD1 3.12Å; Q38-D42 PolarHBondContact O-N 3.03Å; L40-D42 PolarHBondContact O-N 3.06Å; D42-K46 WeakPolarHBondContact O-CB 3.27Å; D42-K46 PolarHBondContact O-N 2.91Å; D42-T123 HydrophobicContact CB-CG2 4.01Å; D42-T123 VanDerWaalsContact OD2-CB 3.25Å; D42-T123 WeakPolarHBondContact OD2-CB 3.46Å; D42-T123 PolarHBondContact OD2-OG1 3.28Å
43	N	91.6	Very high	88.5	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-72.5	-37.5	179.2	-82.7	-78.1	0	0	0	112.7	C39 L40 V41 K46 N47 L89 V120 V121	C39-N43 PolarHBondContact O-N 3.09Å; C39-N43 PolarHBondContact O-ND2 2.77Å; L40-N43 PolarHBondContact O-N 3.39Å; V41-N43 VanDerWaalsContact C-N 3.31Å; V41-N43 PolarHBondContact O-N 3.1Å; N43-K46 PolarHBondContact O-N 3.05Å; N43-N47 PolarHBondContact O-N 3.36Å; N43-N47 PolarHBondContact O-ND2 3.01Å; N43-L89 HydrophobicContact CB-CD1 3.68Å; N43-L89 HydrophobicContact CB-CD2 3.53Å; N43-L89 HydrophobicContact CB-CG 4.27Å; N43-V120 WeakPolarHBondContact OD1-CA 3.47Å; N43-V121 PolarHBondContact ND2-O 3.06Å; N43-V121 PolarHBondContact OD1-N 2.76Å; N43-V121 PolarHBondContact OD1-O 2.93Å
44	L	92.5	Very high	88.7	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68	-41	176.3	-71.1	166.3	0	0	0	111.4	L40 V41 D48 Y49 F50 I71 V75 V82 F85 L89	L40-L44 WeakPolarHBondContact O-CB 3.35Å; L40-L44 WeakPolarHBondContact O-CD1 3.39Å; L40-L44 VanDerWaalsContact O-CG 3.24Å; L40-L44 WeakPolarHBondContact O-CG 3.11Å; L40-L44 PolarHBondContact O-N 3.19Å; V41-L44 PolarHBondContact O-N 2.82Å; L44-D48 PolarHBondContact O-N 3.46Å; L44-Y49 HydrophobicContact CD2-CD2 4.42Å; L44-Y49 PolarHBondContact O-N 3.17Å; L44-F50 HydrophobicContact CB-CB 4.02Å; L44-F50 HydrophobicContact CB-CD1 3.98Å; L44-F50 HydrophobicContact CB-CD2 4.07Å; L44-F50 HydrophobicContact CB-CG 3.75Å; L44-F50 HydrophobicContact CD1-CD1 4.22Å; L44-F50 HydrophobicContact CD1-CD2 4.19Å; L44-F50 HydrophobicContact CD1-CE1 3.9Å; L44-F50 HydrophobicContact CD1-CE2 3.86Å; L44-F50 HydrophobicContact CD1-CG 4.37Å; L44-F50 HydrophobicContact CD1-CZ 3.7Å; L44-F50 PolarHBondContact O-N 2.83Å; L44-F50 VanDerWaalsContact O-N 3.11Å; L44-I71 HydrophobicContact CD1-CG2 4.24Å; L44-V75 HydrophobicContact CD1-CG2 3.99Å; L44-V75 HydrophobicContact CD2-CG2 4.48Å; L44-V82 HydrophobicContact CD2-CG1 3.97Å; L44-F85 HydrophobicContact CD2-CD1 3.96Å; L44-F85 HydrophobicContact CD2-CE1 4.26Å; L44-L89 HydrophobicContact CD2-CD1 4.49Å; L44-L89 HydrophobicContact CG-CD1 4.38Å
45	L	91.2	Very high	88.8	Confident	55 Å²	55	46.9 Å²	46.9	29%	0.288	24%	0.239	S	C	.	.	H	α-helix	trans	-61.7	-46.7	171.6	-78.6	171	0	0	0	111.3	V41 N47 D48 F50 S51 A55	V41-L45 HydrophobicContact CG1-CD1 3.86Å; V41-L45 HydrophobicContact CG1-CG 4.26Å; V41-L45 WeakPolarHBondContact O-CB 3.41Å; V41-L45 WeakPolarHBondContact O-CG 3.36Å; V41-L45 PolarHBondContact O-N 3.23Å; L45-N47 VanDerWaalsContact C-N 3.26Å; L45-N47 PolarHBondContact O-N 3.38Å; L45-D48 PolarHBondContact O-N 3.44Å; L45-D48 VanDerWaalsContact O-N 3.09Å; L45-F50 HydrophobicContact CD2-CB 4.1Å; L45-F50 WeakPolarHBondContact CD2-O 3.46Å; L45-F50 HydrophobicContact CG-CB 4.27Å; L45-S51 VanDerWaalsContact CD2-O 3.25Å; L45-S51 WeakPolarHBondContact CD2-O 3.46Å; L45-A55 HydrophobicContact CD1-CB 3.73Å; L45-A55 HydrophobicContact CD2-CB 3.95Å; L45-A55 HydrophobicContact CG-CB 4.09Å
46	K	89.9	Confident	89.3	Confident	117 Å²	117	46 Å²	46	51%	0.509	24%	0.242	S	C	.	.	H	α-helix	trans	-65	-27.7	-175.5	-176.9	171.2	-179.8	178	0	113.8	D42 N43 V121	D42-K46 WeakPolarHBondContact O-CB 3.27Å; D42-K46 PolarHBondContact O-N 2.91Å; N43-K46 PolarHBondContact O-N 3.05Å; K46-V121 HydrophobicContact CD-CG2 3.69Å
47	N	90.7	Very high	89.6	Confident	19 Å²	19	48 Å²	48	10%	0.102	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	17.4	177.4	-68.6	-88.5	0	0	0	112.4	N43 L45 Y49 F85 K118 V119	N43-N47 PolarHBondContact O-N 3.36Å; N43-N47 PolarHBondContact O-ND2 3.01Å; L45-N47 VanDerWaalsContact C-N 3.26Å; L45-N47 PolarHBondContact O-N 3.38Å; N47-Y49 HydrophobicContact CB-CD2 3.72Å; N47-Y49 HydrophobicContact CB-CE2 3.82Å; N47-Y49 PolarHBondContact O-N 3.4Å; N47-Y49 VanDerWaalsContact O-N 3.14Å; N47-F85 HydrophobicContact CB-CE1 4.21Å; N47-F85 HydrophobicContact CB-CZ 4.21Å; N47-F85 VanDerWaalsContact ND2-CZ 3.28Å; N47-F85 WeakPolarHBondContact ND2-CZ 3.49Å; N47-K118 HydrophobicContact CB-CD 4.43Å; N47-V119 PolarHBondContact ND2-O 3Å; N47-V119 PolarHBondContact OD1-N 3.27Å; N47-V119 VanDerWaalsContact OD1-N 3.15Å
48	D	88.7	Confident	89.8	Confident	149 Å²	149	47.9 Å²	47.9	80%	0.797	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	20	178	-54.7	-53.1	0	0	0	114.7	L44 L45	L44-D48 PolarHBondContact O-N 3.46Å; L45-D48 PolarHBondContact O-N 3.44Å; L45-D48 VanDerWaalsContact O-N 3.09Å
49	Y	90.6	Very high	89.7	Confident	22 Å²	22	46.6 Å²	46.6	9%	0.086	25%	0.251	C	S	.	.	S	Bend	trans	-81.3	-32.7	176	-69.1	-52.7	0	0	0	112.3	L44 N47 E81 V82 F85 K118	L44-Y49 HydrophobicContact CD2-CD2 4.42Å; L44-Y49 PolarHBondContact O-N 3.17Å; N47-Y49 HydrophobicContact CB-CD2 3.72Å; N47-Y49 HydrophobicContact CB-CE2 3.82Å; N47-Y49 PolarHBondContact O-N 3.4Å; N47-Y49 VanDerWaalsContact O-N 3.14Å; Y49-E81 HydrophobicContact CE1-CG 4.24Å; Y49-E81 WeakPolarHBondContact CE1-OE1 3.36Å; Y49-E81 PolarHBondContact OH-OE1 3.5Å; Y49-V82 HydrophobicContact CD1-CB 4.39Å; Y49-V82 HydrophobicContact CD1-CG1 4.41Å; Y49-V82 HydrophobicContact CD1-CG2 3.48Å; Y49-V82 VanDerWaalsContact CD1-CG2 3.48Å; Y49-V82 HydrophobicContact CE1-CG2 3.98Å; Y49-V82 HydrophobicContact CG-CG1 4.12Å; Y49-V82 HydrophobicContact CG-CG2 4.04Å; Y49-F85 HydrophobicContact CD2-CB 4.42Å; Y49-F85 AromaticContact CD2-CD1 3.41Å; Y49-F85 HydrophobicContact CD2-CD1 3.41Å; Y49-F85 VanDerWaalsContact CD2-CD1 3.41Å; Y49-F85 AromaticContact CD2-CE1 3.83Å; Y49-F85 HydrophobicContact CD2-CE1 3.83Å; Y49-F85 HydrophobicContact CD2-CG 4.02Å; Y49-F85 HydrophobicContact CE2-CB 3.81Å; Y49-F85 AromaticContact CE2-CD1 3.4Å; Y49-F85 HydrophobicContact CE2-CD1 3.4Å; Y49-F85 VanDerWaalsContact CE2-CD1 3.4Å; Y49-F85 HydrophobicContact CE2-CD2 4.15Å; Y49-F85 AromaticContact CE2-CE1 3.96Å; Y49-F85 HydrophobicContact CE2-CE1 3.96Å; Y49-F85 AromaticContact CE2-CG 3.5Å; Y49-F85 HydrophobicContact CE2-CG 3.5Å; Y49-K118 HydrophobicContact CE2-CD 4.32Å; Y49-K118 WeakPolarHBondContact OH-CE 3.23Å; Y49-K118 PolarHBondContact OH-NZ 3.41Å
50	F	92.3	Very high	89.8	Confident	6 Å²	6	50.6 Å²	50.6	3%	0.026	28%	0.284	C	S	.	.	S	Bend	trans	-107.5	140.7	171	-85.3	20.9	0	0	0	109.8	L44 L45 D54 V58 I71 L74 V75	L44-F50 HydrophobicContact CB-CB 4.02Å; L44-F50 HydrophobicContact CB-CD1 3.98Å; L44-F50 HydrophobicContact CB-CD2 4.07Å; L44-F50 HydrophobicContact CB-CG 3.75Å; L44-F50 HydrophobicContact CD1-CD1 4.22Å; L44-F50 HydrophobicContact CD1-CD2 4.19Å; L44-F50 HydrophobicContact CD1-CE1 3.9Å; L44-F50 HydrophobicContact CD1-CE2 3.86Å; L44-F50 HydrophobicContact CD1-CG 4.37Å; L44-F50 HydrophobicContact CD1-CZ 3.7Å; L44-F50 PolarHBondContact O-N 2.83Å; L44-F50 VanDerWaalsContact O-N 3.11Å; L45-F50 HydrophobicContact CD2-CB 4.1Å; L45-F50 WeakPolarHBondContact CD2-O 3.46Å; L45-F50 HydrophobicContact CG-CB 4.27Å; F50-D54 HydrophobicContact CB-CB 3.92Å; F50-D54 HydrophobicContact CD1-CB 4.37Å; F50-D54 HydrophobicContact CD2-CB 3.92Å; F50-D54 HydrophobicContact CG-CB 3.82Å; F50-V58 HydrophobicContact CE2-CG2 4.18Å; F50-I71 HydrophobicContact CZ-CG2 4.38Å; F50-L74 HydrophobicContact CE1-CB 3.75Å; F50-L74 HydrophobicContact CE2-CB 4.4Å; F50-L74 HydrophobicContact CE2-CD1 3.99Å; F50-L74 HydrophobicContact CZ-CB 3.49Å; F50-L74 VanDerWaalsContact CZ-CB 3.49Å; F50-L74 HydrophobicContact CZ-CD1 3.91Å; F50-L74 HydrophobicContact CZ-CG 4.37Å; F50-V75 HydrophobicContact CE1-CG2 4.02Å; F50-V75 HydrophobicContact CZ-CG2 4.06Å
51	S	90.7	Very high	89.8	Confident	48 Å²	48	51.7 Å²	51.7	34%	0.336	29%	0.291	S	S	.	.			trans	-82.6	167.9	164.4	70.5	0	0	0	0	110.8	L45 E53 D54 A55	L45-S51 VanDerWaalsContact CD2-O 3.25Å; L45-S51 WeakPolarHBondContact CD2-O 3.46Å; S51-E53 PolarHBondContact O-N 2.91Å; S51-E53 PolarHBondContact OG-N 3.39Å; S51-D54 PolarHBondContact N-OD2 3.26Å; S51-D54 WeakPolarHBondContact O-CB 3.49Å; S51-D54 PolarHBondContact O-N 3.2Å; S51-D54 VanDerWaalsContact O-N 3.13Å; S51-D54 PolarHBondContact OG-N 3.06Å; S51-D54 VanDerWaalsContact OG-N 3.13Å; S51-D54 PolarHBondContact OG-OD2 2.95Å; S51-A55 PolarHBondContact O-N 3.26Å; S51-A55 VanDerWaalsContact O-N 3.15Å
52	A	88.3	Confident	89.5	Confident	68 Å²	68	57.1 Å²	57.1	56%	0.562	33%	0.327	S	S	*	.	H	α-helix	trans	-56.7	-36.7	171.1	0	0	0	0	0	112	A55 E56	A52-A55 PolarHBondContact O-N 2.75Å; A52-E56 WeakPolarHBondContact O-CG 3.45Å; A52-E56 PolarHBondContact O-N 2.86Å
53	E	89.7	Confident	89.4	Confident	142 Å²	142	57.9 Å²	57.9	66%	0.664	33%	0.333	S	S	*	.	H	α-helix	trans	-63.8	-42.7	175.3	-60.5	175.2	177.9	0	0	111.7	S51 A55 E56 I57	S51-E53 PolarHBondContact O-N 2.91Å; S51-E53 PolarHBondContact OG-N 3.39Å; E53-A55 VanDerWaalsContact C-N 3.27Å; E53-A55 PolarHBondContact O-N 2.78Å; E53-E56 PolarHBondContact O-N 2.72Å; E53-I57 WeakPolarHBondContact O-CB 3.34Å; E53-I57 WeakPolarHBondContact O-CD1 3.13Å; E53-I57 WeakPolarHBondContact O-CG1 3.45Å; E53-I57 PolarHBondContact O-N 3.2Å
54	D	91	Very high	89.1	Confident	15 Å²	15	62 Å²	62	8%	0.08	35%	0.352	C	S	.	.	H	α-helix	trans	-59	-41.1	176.2	-67.2	-40.8	0	0	0	111	F50 S51 I57 V58 L74 K78	F50-D54 HydrophobicContact CB-CB 3.92Å; F50-D54 HydrophobicContact CD1-CB 4.37Å; F50-D54 HydrophobicContact CD2-CB 3.92Å; F50-D54 HydrophobicContact CG-CB 3.82Å; S51-D54 PolarHBondContact N-OD2 3.26Å; S51-D54 WeakPolarHBondContact O-CB 3.49Å; S51-D54 PolarHBondContact O-N 3.2Å; S51-D54 VanDerWaalsContact O-N 3.13Å; S51-D54 PolarHBondContact OG-N 3.06Å; S51-D54 VanDerWaalsContact OG-N 3.13Å; S51-D54 PolarHBondContact OG-OD2 2.95Å; D54-I57 PolarHBondContact O-N 2.87Å; D54-V58 WeakPolarHBondContact O-CG2 3.26Å; D54-V58 PolarHBondContact O-N 3.17Å; D54-L74 HydrophobicContact CB-CD1 4.22Å; D54-K78 IonicContact OD1-NZ 2.93Å; D54-K78 WeakPolarHBondContact OD2-CE 3.36Å; D54-K78 IonicContact OD2-NZ 3.76Å; D54-K78 PolarHBondContact OD2-NZ 3.49Å
55	A	88.1	Confident	88.9	Confident	12 Å²	12	64.5 Å²	64.5	10%	0.099	37%	0.369	C	S	.	.	H	α-helix	trans	-68	-41.8	176.8	0	0	0	0	0	112.9	V41 L45 S51 A52 E53 I57 V58 C59	V41-A55 HydrophobicContact CG1-CB 3.58Å; L45-A55 HydrophobicContact CD1-CB 3.73Å; L45-A55 HydrophobicContact CD2-CB 3.95Å; L45-A55 HydrophobicContact CG-CB 4.09Å; S51-A55 PolarHBondContact O-N 3.26Å; S51-A55 VanDerWaalsContact O-N 3.15Å; A52-A55 PolarHBondContact O-N 2.75Å; E53-A55 VanDerWaalsContact C-N 3.27Å; E53-A55 PolarHBondContact O-N 2.78Å; A55-I57 VanDerWaalsContact C-N 3.32Å; A55-I57 PolarHBondContact O-N 3.39Å; A55-V58 PolarHBondContact O-N 3.29Å; A55-C59 WeakPolarHBondContact O-CB 3.37Å; A55-C59 PolarHBondContact O-N 2.81Å; A55-C59 PolarHBondContact O-SG 2.79Å; A55-C59 VanDerWaalsContact O-SG 3.36Å
56	E	89.2	Confident	88.9	Confident	139 Å²	139	64.3 Å²	64.3	65%	0.65	37%	0.368	S	S	*	.	H	α-helix	trans	-61.1	-41.1	174.5	-74.9	-179.2	-176.8	0	0	111.9	A52 E53 V58 C59 A60	A52-E56 WeakPolarHBondContact O-CG 3.45Å; A52-E56 PolarHBondContact O-N 2.86Å; E53-E56 PolarHBondContact O-N 2.72Å; E56-V58 VanDerWaalsContact C-N 3.31Å; E56-V58 PolarHBondContact O-N 2.99Å; E56-C59 PolarHBondContact O-N 3.36Å; E56-A60 WeakPolarHBondContact O-CB 3.25Å; E56-A60 PolarHBondContact O-N 2.79Å
57	I	89.7	Confident	89	Confident	70 Å²	70	61 Å²	61	36%	0.359	35%	0.354	S	S	.	.	H	α-helix	trans	-59.1	-42.8	175.8	-72.6	164.6	0	0	0	111.2	E53 D54 A55 K70 L74	E53-I57 WeakPolarHBondContact O-CB 3.34Å; E53-I57 WeakPolarHBondContact O-CD1 3.13Å; E53-I57 WeakPolarHBondContact O-CG1 3.45Å; E53-I57 PolarHBondContact O-N 3.2Å; D54-I57 PolarHBondContact O-N 2.87Å; A55-I57 VanDerWaalsContact C-N 3.32Å; A55-I57 PolarHBondContact O-N 3.39Å; I57-K70 HydrophobicContact CG2-CD 4.13Å; I57-K70 HydrophobicContact CG2-CG 3.94Å; I57-L74 HydrophobicContact CG2-CD1 4.48Å
58	V	89.3	Confident	89	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.012	35%	0.349	C	S	.	.	H	α-helix	trans	-67.5	-44.9	175.2	174.3	0	0	0	0	110.5	V41 F50 D54 A55 E56 A60 C61 K67 K70 I71 L74	V41-V58 HydrophobicContact CG2-CB 4.33Å; V41-V58 HydrophobicContact CG2-CG1 3.89Å; F50-V58 HydrophobicContact CE2-CG2 4.18Å; D54-V58 WeakPolarHBondContact O-CG2 3.26Å; D54-V58 PolarHBondContact O-N 3.17Å; A55-V58 PolarHBondContact O-N 3.29Å; E56-V58 VanDerWaalsContact C-N 3.31Å; E56-V58 PolarHBondContact O-N 2.99Å; V58-A60 PolarHBondContact O-N 3.37Å; V58-C61 WeakPolarHBondContact O-CB 3.04Å; V58-C61 PolarHBondContact O-N 3.31Å; V58-C61 VanDerWaalsContact O-N 3.11Å; V58-K67 HydrophobicContact CG1-CB 4.2Å; V58-K67 HydrophobicContact CG1-CG 4.45Å; V58-K67 WeakPolarHBondContact O-CG 3.24Å; V58-K70 HydrophobicContact CG2-CG 4.3Å; V58-I71 HydrophobicContact CB-CG1 4.34Å; V58-I71 HydrophobicContact CG1-CD1 3.85Å; V58-I71 HydrophobicContact CG1-CG1 3.63Å; V58-I71 HydrophobicContact CG2-CG1 3.69Å; V58-L74 HydrophobicContact CG2-CD1 3.69Å
59	C	85.6	Confident	89.2	Confident	65 Å²	65	58.2 Å²	58.2	44%	0.439	33%	0.331	S	S	.	.	H	α-helix	trans	-60.2	-32.3	178.9	-76.1	0	0	0	0	113.2	A55 E56 C61	A55-C59 WeakPolarHBondContact O-CB 3.37Å; A55-C59 PolarHBondContact O-N 2.81Å; A55-C59 PolarHBondContact O-SG 2.79Å; A55-C59 VanDerWaalsContact O-SG 3.36Å; E56-C59 PolarHBondContact O-N 3.36Å; C59-C61 PolarHBondContact O-N 3.35Å
60	A	88.6	Confident	89.3	Confident	83 Å²	83	60.7 Å²	60.7	69%	0.686	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-15.3	177.7	0	0	0	0	0	114.2	E56 V58	E56-A60 WeakPolarHBondContact O-CB 3.25Å; E56-A60 PolarHBondContact O-N 2.79Å; V58-A60 PolarHBondContact O-N 3.37Å
61	C	89.3	Confident	89.4	Confident	24 Å²	24	60.4 Å²	60.4	16%	0.162	34%	0.341	C	S	.	.			trans	-71.7	131.1	177.2	-71.1	0	0	0	0	111.2	V58 C59 D66 K67	V58-C61 WeakPolarHBondContact O-CB 3.04Å; V58-C61 PolarHBondContact O-N 3.31Å; V58-C61 VanDerWaalsContact O-N 3.11Å; C59-C61 PolarHBondContact O-N 3.35Å; C61-D66 HydrophobicContact CB-CB 4.06Å; C61-K67 HydrophobicContact CB-CB 4.46Å; C61-K67 HydrophobicContact CB-CG 3.71Å; C61-K67 WeakPolarHBondContact O-CE 3.49Å
62	P	82.8	Confident	89.5	Confident	117 Å²	117	58.1 Å²	58.1	76%	0.76	33%	0.325	S	S	*	.	S	Bend	trans	-75.1	-35.8	-168.4	27.4	-34.1	0	0	0	113.6
63	T	87.7	Confident	89.7	Confident	62 Å²	62	58.3 Å²	58.3	38%	0.38	32%	0.316	S	S	.	.	S	Bend	trans	-110.5	152.5	-176.6	79.2	0	0	0	0	111.7	D66 K67	T63-D66 PolarHBondContact O-N 3.37Å; T63-D66 VanDerWaalsContact O-N 3.11Å; T63-D66 WeakPolarHBondContact OG1-CB 3.33Å; T63-D66 PolarHBondContact OG1-N 3.46Å; T63-D66 PolarHBondContact OG1-OD2 2.79Å; T63-K67 WeakPolarHBondContact O-CG 3.38Å; T63-K67 PolarHBondContact O-N 3.25Å
64	Q	84.8	Confident	89.8	Confident	86 Å²	86	52.4 Å²	52.4	40%	0.402	29%	0.289	S	S	.	.	H	α-helix	trans	-57.9	-46.2	175.9	-75.9	-65.3	-11.7	0	0	112.8	T37 D66 K67 V68	T37-Q64 VanDerWaalsContact CG2-OE1 3.27Å; T37-Q64 PolarHBondContact OG1-OE1 3.28Å; Q64-D66 VanDerWaalsContact C-N 3.26Å; Q64-D66 PolarHBondContact O-N 2.79Å; Q64-K67 WeakPolarHBondContact O-CB 3.25Å; Q64-K67 PolarHBondContact O-N 3.13Å; Q64-K67 VanDerWaalsContact O-N 3.15Å; Q64-V68 WeakPolarHBondContact O-CG2 3.4Å; Q64-V68 PolarHBondContact O-N 3.07Å
65	P	89.2	Confident	89.9	Confident	54 Å²	54	51.7 Å²	51.7	35%	0.351	29%	0.285	S	S	.	.	H	α-helix	trans	-56.3	-38.1	172.6	-28	36.7	0	0	0	113.5	V31 V68 R69	V31-P65 HydrophobicContact CG1-CB 3.82Å; P65-V68 PolarHBondContact O-N 2.75Å; P65-R69 WeakPolarHBondContact O-CB 3.48Å; P65-R69 VanDerWaalsContact O-CG 3.25Å; P65-R69 WeakPolarHBondContact O-CG 3.35Å; P65-R69 PolarHBondContact O-N 2.8Å
66	D	90	Very high	90.1	Very high	51 Å²	51	52.4 Å²	52.4	27%	0.273	29%	0.287	S	S	.	.	H	α-helix	trans	-69.1	-39.4	177.2	-62.7	-30.8	0	0	0	112.1	C61 T63 Q64 V68 R69 K70	C61-D66 HydrophobicContact CB-CB 4.06Å; T63-D66 PolarHBondContact O-N 3.37Å; T63-D66 VanDerWaalsContact O-N 3.11Å; T63-D66 WeakPolarHBondContact OG1-CB 3.33Å; T63-D66 PolarHBondContact OG1-N 3.46Å; T63-D66 PolarHBondContact OG1-OD2 2.79Å; Q64-D66 VanDerWaalsContact C-N 3.26Å; Q64-D66 PolarHBondContact O-N 2.79Å; D66-V68 VanDerWaalsContact C-N 3.34Å; D66-V68 PolarHBondContact O-N 2.82Å; D66-R69 PolarHBondContact O-N 3.42Å; D66-R69 IonicContact OD1-CZ 3.08Å; D66-R69 IonicContact OD1-NH1 3.64Å; D66-R69 PolarHBondContact OD1-NH1 2.83Å; D66-K70 WeakPolarHBondContact O-CB 3.19Å; D66-K70 PolarHBondContact O-N 3.21Å
67	K	91.9	Very high	90.1	Very high	47 Å²	47	50 Å²	50	20%	0.204	29%	0.285	C	S	.	.	H	α-helix	trans	-57.9	-47.1	172.1	-70	-177.2	177.3	-169.9	0	111	T37 V58 C61 T63 Q64 K70 I71	T37-K67 HydrophobicContact CG2-CB 3.82Å; V58-K67 HydrophobicContact CG1-CB 4.2Å; V58-K67 HydrophobicContact CG1-CG 4.45Å; V58-K67 WeakPolarHBondContact O-CG 3.24Å; C61-K67 HydrophobicContact CB-CB 4.46Å; C61-K67 HydrophobicContact CB-CG 3.71Å; C61-K67 WeakPolarHBondContact O-CE 3.49Å; T63-K67 WeakPolarHBondContact O-CG 3.38Å; T63-K67 PolarHBondContact O-N 3.25Å; Q64-K67 WeakPolarHBondContact O-CB 3.25Å; Q64-K67 PolarHBondContact O-N 3.13Å; Q64-K67 VanDerWaalsContact O-N 3.15Å; K67-K70 PolarHBondContact O-N 3.03Å; K67-I71 VanDerWaalsContact O-CG1 3.28Å; K67-I71 WeakPolarHBondContact O-CG1 3.27Å; K67-I71 PolarHBondContact O-N 3.5Å
68	V	92.1	Very high	90.2	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-63	-47.6	177.2	-179	0	0	0	0	111.1	V31 I34 T37 Q64 P65 D66 K70 I71 L72	V31-V68 HydrophobicContact CB-CG1 4.45Å; V31-V68 HydrophobicContact CG2-CB 4.44Å; V31-V68 HydrophobicContact CG2-CG1 4Å; I34-V68 HydrophobicContact CB-CG1 4.05Å; I34-V68 HydrophobicContact CB-CG2 3.85Å; I34-V68 HydrophobicContact CD1-CG1 4Å; I34-V68 HydrophobicContact CG2-CG1 4.34Å; I34-V68 HydrophobicContact CG2-CG2 3.7Å; I34-V68 WeakPolarHBondContact O-CG2 3.49Å; T37-V68 HydrophobicContact CG2-CG2 3.56Å; Q64-V68 WeakPolarHBondContact O-CG2 3.4Å; Q64-V68 PolarHBondContact O-N 3.07Å; P65-V68 PolarHBondContact O-N 2.75Å; D66-V68 VanDerWaalsContact C-N 3.34Å; D66-V68 PolarHBondContact O-N 2.82Å; V68-K70 PolarHBondContact O-N 2.82Å; V68-I71 PolarHBondContact O-N 3.08Å; V68-L72 HydrophobicContact CG1-CD1 4Å; V68-L72 HydrophobicContact CG1-CG 4.26Å; V68-L72 WeakPolarHBondContact O-CG 3.49Å; V68-L72 PolarHBondContact O-N 3.11Å
69	R	92.7	Very high	90.2	Very high	108 Å²	108	52.3 Å²	52.3	41%	0.408	30%	0.299	S	S	.	.	H	α-helix	trans	-54.9	-43.1	176.6	-75.2	172.9	-169.5	127.9	2.8	111.2	R27 V31 P65 D66 L72 D73	R27-R69 PolarHBondContact NH2-O 3.13Å; V31-R69 HydrophobicContact CG1-CG 4.19Å; V31-R69 HydrophobicContact CG2-CG 3.63Å; P65-R69 WeakPolarHBondContact O-CB 3.48Å; P65-R69 VanDerWaalsContact O-CG 3.25Å; P65-R69 WeakPolarHBondContact O-CG 3.35Å; P65-R69 PolarHBondContact O-N 2.8Å; D66-R69 PolarHBondContact O-N 3.42Å; D66-R69 IonicContact OD1-CZ 3.08Å; D66-R69 IonicContact OD1-NH1 3.64Å; D66-R69 PolarHBondContact OD1-NH1 2.83Å; R69-L72 PolarHBondContact O-N 2.94Å; R69-D73 PolarHBondContact O-N 3.13Å
70	K	93.4	Very high	90.4	Very high	74 Å²	74	52.3 Å²	52.3	32%	0.322	29%	0.293	S	S	.	.	H	α-helix	trans	-69.4	-41.1	-179.5	-166.6	60	170.5	177.2	0	112.7	I57 V58 D66 K67 V68 L72 D73 L74	I57-K70 HydrophobicContact CG2-CD 4.13Å; I57-K70 HydrophobicContact CG2-CG 3.94Å; V58-K70 HydrophobicContact CG2-CG 4.3Å; D66-K70 WeakPolarHBondContact O-CB 3.19Å; D66-K70 PolarHBondContact O-N 3.21Å; K67-K70 PolarHBondContact O-N 3.03Å; V68-K70 PolarHBondContact O-N 2.82Å; K70-L72 VanDerWaalsContact C-N 3.33Å; K70-D73 PolarHBondContact O-N 2.83Å; K70-L74 HydrophobicContact CG-CD1 4.46Å; K70-L74 WeakPolarHBondContact O-CG 3.43Å; K70-L74 PolarHBondContact O-N 3.43Å
71	I	93	Very high	90.4	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-57.8	-48.4	171.3	-69.3	164.7	0	0	0	109.8	T37 V41 L44 F50 V58 K67 V68 D73 L74 V75 F86	T37-I71 HydrophobicContact CG2-CD1 3.92Å; V41-I71 HydrophobicContact CG2-CD1 3.91Å; V41-I71 HydrophobicContact CG2-CG1 4.19Å; L44-I71 HydrophobicContact CD1-CG2 4.24Å; F50-I71 HydrophobicContact CZ-CG2 4.38Å; V58-I71 HydrophobicContact CB-CG1 4.34Å; V58-I71 HydrophobicContact CG1-CD1 3.85Å; V58-I71 HydrophobicContact CG1-CG1 3.63Å; V58-I71 HydrophobicContact CG2-CG1 3.69Å; K67-I71 VanDerWaalsContact O-CG1 3.28Å; K67-I71 WeakPolarHBondContact O-CG1 3.27Å; K67-I71 PolarHBondContact O-N 3.5Å; V68-I71 PolarHBondContact O-N 3.08Å; I71-D73 VanDerWaalsContact C-N 3.32Å; I71-D73 PolarHBondContact O-N 3.41Å; I71-L74 PolarHBondContact O-N 2.81Å; I71-V75 HydrophobicContact CG2-CG2 4.04Å; I71-V75 WeakPolarHBondContact O-CB 3.4Å; I71-V75 VanDerWaalsContact O-CG2 3.25Å; I71-V75 WeakPolarHBondContact O-CG2 3.36Å; I71-V75 PolarHBondContact O-N 2.84Å; I71-F86 HydrophobicContact CG2-CD2 4.38Å; I71-F86 HydrophobicContact CG2-CE2 3.77Å
72	L	93.8	Very high	90.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-39.1	179.4	-68.1	174.5	0	0	0	111.9	L23 R27 L30 V31 V68 R69 K70 Q76 F86	L23-L72 HydrophobicContact CD2-CD2 4.41Å; R27-L72 HydrophobicContact CG-CD1 3.99Å; L30-L72 HydrophobicContact CB-CD1 4.04Å; L30-L72 HydrophobicContact CD1-CD1 4.43Å; L30-L72 HydrophobicContact CD1-CD2 3.95Å; V31-L72 HydrophobicContact CG2-CD1 3.93Å; V68-L72 HydrophobicContact CG1-CD1 4Å; V68-L72 HydrophobicContact CG1-CG 4.26Å; V68-L72 WeakPolarHBondContact O-CG 3.49Å; V68-L72 PolarHBondContact O-N 3.11Å; R69-L72 PolarHBondContact O-N 2.94Å; K70-L72 VanDerWaalsContact C-N 3.33Å; L72-Q76 VanDerWaalsContact O-CB 3.28Å; L72-Q76 WeakPolarHBondContact O-CB 3.46Å; L72-Q76 WeakPolarHBondContact O-CG 3.18Å; L72-Q76 PolarHBondContact O-N 2.88Å; L72-F86 HydrophobicContact CD2-CE1 3.71Å; L72-F86 HydrophobicContact CD2-CE2 4.37Å; L72-F86 HydrophobicContact CD2-CZ 3.59Å
73	D	92.4	Very high	90.9	Very high	71 Å²	71	45.9 Å²	45.9	38%	0.38	24%	0.236	S	C	.	.	H	α-helix	trans	-63.7	-45	175.5	-66.7	-26.4	0	0	0	111.9	R27 R69 K70 I71 Q76 S77	R27-D73 IonicContact CZ-OD1 2.68Å; R27-D73 IonicContact NH1-OD1 3.77Å; R27-D73 PolarHBondContact NH1-OD1 3.08Å; R27-D73 IonicContact NH2-OD1 3.36Å; R27-D73 PolarHBondContact NH2-OD1 3.04Å; R27-D73 IonicContact NH2-OD2 3.33Å; R27-D73 PolarHBondContact NH2-OD2 3.2Å; R69-D73 PolarHBondContact O-N 3.13Å; K70-D73 PolarHBondContact O-N 2.83Å; I71-D73 VanDerWaalsContact C-N 3.32Å; I71-D73 PolarHBondContact O-N 3.41Å; D73-Q76 PolarHBondContact O-N 2.93Å; D73-S77 WeakPolarHBondContact O-CB 3.46Å; D73-S77 PolarHBondContact O-N 2.93Å; D73-S77 PolarHBondContact O-OG 3.33Å
74	L	92.2	Very high	91.1	Very high	18 Å²	18	43.8 Å²	43.8	9%	0.094	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-49.7	178.9	-72.1	170.4	0	0	0	111.2	F50 D54 I57 V58 K70 I71 Q76 S77 K78	F50-L74 HydrophobicContact CE1-CB 3.75Å; F50-L74 HydrophobicContact CE2-CB 4.4Å; F50-L74 HydrophobicContact CE2-CD1 3.99Å; F50-L74 HydrophobicContact CZ-CB 3.49Å; F50-L74 VanDerWaalsContact CZ-CB 3.49Å; F50-L74 HydrophobicContact CZ-CD1 3.91Å; F50-L74 HydrophobicContact CZ-CG 4.37Å; D54-L74 HydrophobicContact CB-CD1 4.22Å; I57-L74 HydrophobicContact CG2-CD1 4.48Å; V58-L74 HydrophobicContact CG2-CD1 3.69Å; K70-L74 HydrophobicContact CG-CD1 4.46Å; K70-L74 WeakPolarHBondContact O-CG 3.43Å; K70-L74 PolarHBondContact O-N 3.43Å; I71-L74 PolarHBondContact O-N 2.81Å; L74-Q76 VanDerWaalsContact C-N 3.3Å; L74-Q76 PolarHBondContact O-N 3.24Å; L74-S77 PolarHBondContact O-N 3.09Å; L74-S77 VanDerWaalsContact O-N 3.07Å; L74-S77 PolarHBondContact O-OG 3.23Å; L74-K78 WeakPolarHBondContact O-CG 3.33Å; L74-K78 PolarHBondContact O-N 3.47Å
75	V	92.7	Very high	91.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-55.2	-46.2	176.7	167.1	0	0	0	0	111	L23 L44 F50 I71 S77 K78 G79 V82 F86	L23-V75 HydrophobicContact CD1-CG1 3.8Å; L44-V75 HydrophobicContact CD1-CG2 3.99Å; L44-V75 HydrophobicContact CD2-CG2 4.48Å; F50-V75 HydrophobicContact CE1-CG2 4.02Å; F50-V75 HydrophobicContact CZ-CG2 4.06Å; I71-V75 HydrophobicContact CG2-CG2 4.04Å; I71-V75 WeakPolarHBondContact O-CB 3.4Å; I71-V75 VanDerWaalsContact O-CG2 3.25Å; I71-V75 WeakPolarHBondContact O-CG2 3.36Å; I71-V75 PolarHBondContact O-N 2.84Å; V75-S77 PolarHBondContact O-N 3.18Å; V75-K78 PolarHBondContact O-N 3.4Å; V75-G79 PolarHBondContact O-N 3.22Å; V75-V82 HydrophobicContact CB-CG1 4.41Å; V75-V82 HydrophobicContact CG1-CG1 4.17Å; V75-V82 HydrophobicContact CG2-CG1 4.23Å; V75-F86 HydrophobicContact CG1-CB 3.84Å; V75-F86 HydrophobicContact CG1-CD2 4.46Å; V75-F86 HydrophobicContact CG1-CG 4.18Å; V75-F86 HydrophobicContact CG2-CB 4.5Å; V75-F86 HydrophobicContact CG2-CD2 3.91Å; V75-F86 HydrophobicContact CG2-CG 4.44Å
76	Q	91.2	Very high	91.6	Very high	27 Å²	27	37.1 Å²	37.1	13%	0.126	19%	0.187	C	C	.	.	H	α-helix	trans	-65.6	-36.5	177.5	-71.1	174.8	25.4	0	0	112.6	I20 L23 K24 L72 D73 L74	I20-Q76 HydrophobicContact CG2-CB 4.28Å; I20-Q76 HydrophobicContact CG2-CG 4.15Å; L23-Q76 HydrophobicContact CB-CG 4.46Å; K24-Q76 VanDerWaalsContact CG-OE1 3.29Å; L72-Q76 VanDerWaalsContact O-CB 3.28Å; L72-Q76 WeakPolarHBondContact O-CB 3.46Å; L72-Q76 WeakPolarHBondContact O-CG 3.18Å; L72-Q76 PolarHBondContact O-N 2.88Å; D73-Q76 PolarHBondContact O-N 2.93Å; L74-Q76 VanDerWaalsContact C-N 3.3Å; L74-Q76 PolarHBondContact O-N 3.24Å
77	S	90.5	Very high	91.7	Very high	89 Å²	89	34.7 Å²	34.7	62%	0.622	17%	0.174	S	C	*	.	H	α-helix	trans	-71.4	-28.2	179	74.5	0	0	0	0	113.8	D73 L74 V75 G79	D73-S77 WeakPolarHBondContact O-CB 3.46Å; D73-S77 PolarHBondContact O-N 2.93Å; D73-S77 PolarHBondContact O-OG 3.33Å; L74-S77 PolarHBondContact O-N 3.09Å; L74-S77 VanDerWaalsContact O-N 3.07Å; L74-S77 PolarHBondContact O-OG 3.23Å; V75-S77 PolarHBondContact O-N 3.18Å; S77-G79 VanDerWaalsContact C-N 3.35Å
78	K	90.8	Very high	91.6	Very high	98 Å²	98	33.6 Å²	33.6	43%	0.426	17%	0.168	S	C	.	.	H	α-helix	trans	-80.9	-16	-179.3	-63.3	-81.4	-175.2	168.8	0	112.8	D54 L74 V75 V82	D54-K78 IonicContact OD1-NZ 2.93Å; D54-K78 WeakPolarHBondContact OD2-CE 3.36Å; D54-K78 IonicContact OD2-NZ 3.76Å; D54-K78 PolarHBondContact OD2-NZ 3.49Å; L74-K78 WeakPolarHBondContact O-CG 3.33Å; L74-K78 PolarHBondContact O-N 3.47Å; V75-K78 PolarHBondContact O-N 3.4Å; K78-V82 HydrophobicContact CB-CB 4.06Å; K78-V82 HydrophobicContact CB-CG1 4.32Å; K78-V82 HydrophobicContact CB-CG2 3.58Å
79	G	90.1	Very high	91.6	Very high	23 Å²	23	33.6 Å²	33.6	24%	0.237	17%	0.168	C	C	.	.			trans	116.9	-173.4	169.7	0	0	0	0	0	115	V75 S77 S83	V75-G79 PolarHBondContact O-N 3.22Å; S77-G79 VanDerWaalsContact C-N 3.35Å; G79-S83 PolarHBondContact O-N 3.23Å; G79-S83 PolarHBondContact O-OG 3.15Å
80	E	90.1	Very high	91.4	Very high	65 Å²	65	28.5 Å²	28.5	30%	0.304	15%	0.149	S	C	.	.	H	α-helix	trans	-67.1	-41.4	-173.8	-80.4	-62.3	155.3	0	0	113.2	P18 H19 I20 V82 S83 E84	P18-E80 WeakPolarHBondContact CA-OE1 3.46Å; P18-E80 WeakPolarHBondContact CB-OE1 3.44Å; H19-E80 WeakPolarHBondContact CA-OE2 3.21Å; H19-E80 WeakPolarHBondContact CB-OE2 3.24Å; H19-E80 IonicContact CD2-OE2 2.72Å; H19-E80 PolarHBondContact CD2-OE2 2.99Å; H19-E80 IonicContact CG-OE2 3.02Å; H19-E80 PolarHBondContact N-OE1 3.22Å; H19-E80 PolarHBondContact N-OE2 2.88Å; I20-E80 WeakPolarHBondContact CB-OE1 3.43Å; I20-E80 HydrophobicContact CD1-CG 3.9Å; I20-E80 VanDerWaalsContact CD1-OE1 3.31Å; I20-E80 WeakPolarHBondContact CD1-OE1 3.45Å; I20-E80 HydrophobicContact CG1-CG 4.27Å; I20-E80 WeakPolarHBondContact CG1-OE1 3.33Å; I20-E80 PolarHBondContact N-OE1 3.47Å; I20-E80 VanDerWaalsContact N-OE1 3.08Å; I20-E80 PolarHBondContact N-OE2 3.13Å; E80-V82 VanDerWaalsContact C-N 3.3Å; E80-V82 PolarHBondContact O-N 3.44Å; E80-S83 CarbonylContact O-C 3.59Å; E80-S83 WeakPolarHBondContact O-CB 3.25Å; E80-S83 PolarHBondContact O-N 2.94Å; E80-S83 VanDerWaalsContact O-N 3.12Å; E80-E84 WeakPolarHBondContact O-CB 3.22Å; E80-E84 PolarHBondContact O-N 2.85Å
81	E	88.6	Confident	91.1	Very high	80 Å²	80	28.2 Å²	28.2	37%	0.374	15%	0.149	S	C	.	.	H	α-helix	trans	-58.9	-42.3	178.6	-173	-171.3	152.9	0	0	111.7	Y49 S83 E84 F85 L114 K118	Y49-E81 HydrophobicContact CE1-CG 4.24Å; Y49-E81 WeakPolarHBondContact CE1-OE1 3.36Å; Y49-E81 PolarHBondContact OH-OE1 3.5Å; E81-S83 VanDerWaalsContact C-N 3.34Å; E81-E84 PolarHBondContact O-N 3.41Å; E81-F85 WeakPolarHBondContact O-CB 3.28Å; E81-F85 PolarHBondContact O-N 3.21Å; E81-L114 HydrophobicContact CG-CD2 4.34Å; E81-K118 IonicContact OE1-NZ 3.75Å
82	V	90.6	Very high	90.7	Very high	8 Å²	8	32.7 Å²	32.7	5%	0.048	17%	0.17	C	C	.	.	H	α-helix	trans	-69.9	-36.1	178.8	-168.9	0	0	0	0	111	L44 Y49 V75 K78 E80 F85 F86	L44-V82 HydrophobicContact CD2-CG1 3.97Å; Y49-V82 HydrophobicContact CD1-CB 4.39Å; Y49-V82 HydrophobicContact CD1-CG1 4.41Å; Y49-V82 HydrophobicContact CD1-CG2 3.48Å; Y49-V82 VanDerWaalsContact CD1-CG2 3.48Å; Y49-V82 HydrophobicContact CE1-CG2 3.98Å; Y49-V82 HydrophobicContact CG-CG1 4.12Å; Y49-V82 HydrophobicContact CG-CG2 4.04Å; V75-V82 HydrophobicContact CB-CG1 4.41Å; V75-V82 HydrophobicContact CG1-CG1 4.17Å; V75-V82 HydrophobicContact CG2-CG1 4.23Å; K78-V82 HydrophobicContact CB-CB 4.06Å; K78-V82 HydrophobicContact CB-CG1 4.32Å; K78-V82 HydrophobicContact CB-CG2 3.58Å; E80-V82 VanDerWaalsContact C-N 3.3Å; E80-V82 PolarHBondContact O-N 3.44Å; V82-F85 PolarHBondContact O-N 3.37Å; V82-F86 VanDerWaalsContact O-CB 3.32Å; V82-F86 WeakPolarHBondContact O-CB 3.16Å; V82-F86 PolarHBondContact O-N 3.48Å
83	S	91.9	Very high	90.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.6	-38.2	176.1	-61.2	0	0	0	0	111.8	I20 G79 E80 E81 F86 L87	I20-S83 VanDerWaalsContact CG1-OG 3.32Å; I20-S83 WeakPolarHBondContact CG1-OG 3.45Å; G79-S83 PolarHBondContact O-N 3.23Å; G79-S83 PolarHBondContact O-OG 3.15Å; E80-S83 CarbonylContact O-C 3.59Å; E80-S83 WeakPolarHBondContact O-CB 3.25Å; E80-S83 PolarHBondContact O-N 2.94Å; E80-S83 VanDerWaalsContact O-N 3.12Å; E81-S83 VanDerWaalsContact C-N 3.34Å; S83-F86 PolarHBondContact O-N 3.23Å; S83-L87 WeakPolarHBondContact O-CG 3.38Å; S83-L87 PolarHBondContact O-N 2.85Å; S83-L87 VanDerWaalsContact O-N 3.17Å
84	E	91.9	Very high	89.4	Confident	19 Å²	19	30.9 Å²	30.9	9%	0.089	16%	0.164	C	C	.	.	H	α-helix	trans	-64.2	-49.6	171.6	-169.5	-173.7	-158.8	0	0	111.2	E80 E81 F86 L87 Y88 F109 S112 T115	E80-E84 WeakPolarHBondContact O-CB 3.22Å; E80-E84 PolarHBondContact O-N 2.85Å; E81-E84 PolarHBondContact O-N 3.41Å; E84-F86 VanDerWaalsContact C-N 3.25Å; E84-F86 PolarHBondContact O-N 2.99Å; E84-L87 PolarHBondContact O-N 2.96Å; E84-L87 VanDerWaalsContact O-N 3.13Å; E84-Y88 PolarHBondContact O-N 3.47Å; E84-F109 HydrophobicContact CG-CE2 3.98Å; E84-F109 HydrophobicContact CG-CZ 3.93Å; E84-F109 WeakPolarHBondContact O-CZ 3.33Å; E84-S112 VanDerWaalsContact CD-OG 3.3Å; E84-S112 WeakPolarHBondContact OE1-CA 3.22Å; E84-S112 WeakPolarHBondContact OE1-CB 3.41Å; E84-S112 PolarHBondContact OE1-N 3.04Å; E84-S112 PolarHBondContact OE1-OG 2.84Å; E84-S112 VanDerWaalsContact OE1-OG 3.1Å; E84-S112 PolarHBondContact OE2-OG 3.37Å; E84-T115 VanDerWaalsContact CD-OG1 3.31Å; E84-T115 HydrophobicContact CG-CG2 4.21Å; E84-T115 PolarHBondContact OE2-OG1 3.08Å
85	F	91.8	Very high	88.6	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.2	-35.9	178	-179.5	-109.7	0	0	0	111.9	L44 N47 Y49 E81 V82 Y88 L89 T115 K118 V120	L44-F85 HydrophobicContact CD2-CD1 3.96Å; L44-F85 HydrophobicContact CD2-CE1 4.26Å; N47-F85 HydrophobicContact CB-CE1 4.21Å; N47-F85 HydrophobicContact CB-CZ 4.21Å; N47-F85 VanDerWaalsContact ND2-CZ 3.28Å; N47-F85 WeakPolarHBondContact ND2-CZ 3.49Å; Y49-F85 HydrophobicContact CD2-CB 4.42Å; Y49-F85 AromaticContact CD2-CD1 3.41Å; Y49-F85 HydrophobicContact CD2-CD1 3.41Å; Y49-F85 VanDerWaalsContact CD2-CD1 3.41Å; Y49-F85 AromaticContact CD2-CE1 3.83Å; Y49-F85 HydrophobicContact CD2-CE1 3.83Å; Y49-F85 HydrophobicContact CD2-CG 4.02Å; Y49-F85 HydrophobicContact CE2-CB 3.81Å; Y49-F85 AromaticContact CE2-CD1 3.4Å; Y49-F85 HydrophobicContact CE2-CD1 3.4Å; Y49-F85 VanDerWaalsContact CE2-CD1 3.4Å; Y49-F85 HydrophobicContact CE2-CD2 4.15Å; Y49-F85 AromaticContact CE2-CE1 3.96Å; Y49-F85 HydrophobicContact CE2-CE1 3.96Å; Y49-F85 AromaticContact CE2-CG 3.5Å; Y49-F85 HydrophobicContact CE2-CG 3.5Å; E81-F85 WeakPolarHBondContact O-CB 3.28Å; E81-F85 PolarHBondContact O-N 3.21Å; V82-F85 PolarHBondContact O-N 3.37Å; F85-Y88 HydrophobicContact CD2-CD1 4.05Å; F85-Y88 HydrophobicContact CE2-CD1 4.15Å; F85-Y88 WeakPolarHBondContact O-CB 3.34Å; F85-Y88 PolarHBondContact O-N 3.04Å; F85-L89 HydrophobicContact CD1-CD1 3.95Å; F85-L89 HydrophobicContact CD1-CG 4.2Å; F85-L89 HydrophobicContact CE1-CD1 3.54Å; F85-L89 HydrophobicContact CE1-CD2 4.12Å; F85-L89 HydrophobicContact CE1-CG 3.8Å; F85-L89 HydrophobicContact CE2-CD2 4.3Å; F85-L89 HydrophobicContact CE2-CG 4.3Å; F85-L89 HydrophobicContact CZ-CD1 4.06Å; F85-L89 HydrophobicContact CZ-CD2 3.74Å; F85-L89 HydrophobicContact CZ-CG 3.84Å; F85-L89 WeakPolarHBondContact O-CG 3.31Å; F85-L89 PolarHBondContact O-N 3.4Å; F85-T115 HydrophobicContact CB-CG2 4.3Å; F85-T115 HydrophobicContact CD2-CG2 4.19Å; F85-K118 HydrophobicContact CD2-CB 3.74Å; F85-K118 HydrophobicContact CD2-CG 4.06Å; F85-K118 HydrophobicContact CE2-CB 3.39Å; F85-K118 HydrophobicContact CE2-CG 4.17Å; F85-K118 HydrophobicContact CZ-CB 4.29Å; F85-V120 HydrophobicContact CE2-CG2 4.18Å; F85-V120 HydrophobicContact CZ-CG2 4.5Å
86	F	92.8	Very high	87.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.9	-46.3	173.2	-179.1	-90.7	0	0	0	112.2	L23 L30 I34 L40 I71 L72 V75 V82 S83 E84 Y88 L89 L90	L23-F86 HydrophobicContact CD1-CD1 4.17Å; L23-F86 HydrophobicContact CD2-CD1 3.68Å; L23-F86 HydrophobicContact CD2-CE1 3.84Å; L30-F86 HydrophobicContact CD1-CE1 4.42Å; I34-F86 HydrophobicContact CD1-CE1 4.29Å; I34-F86 HydrophobicContact CD1-CZ 3.67Å; L40-F86 HydrophobicContact CD1-CE2 3.85Å; L40-F86 HydrophobicContact CD1-CZ 4.23Å; L40-F86 HydrophobicContact CD2-CE2 4.26Å; L40-F86 HydrophobicContact CG-CE2 4.5Å; I71-F86 HydrophobicContact CG2-CD2 4.38Å; I71-F86 HydrophobicContact CG2-CE2 3.77Å; L72-F86 HydrophobicContact CD2-CE1 3.71Å; L72-F86 HydrophobicContact CD2-CE2 4.37Å; L72-F86 HydrophobicContact CD2-CZ 3.59Å; V75-F86 HydrophobicContact CG1-CB 3.84Å; V75-F86 HydrophobicContact CG1-CD2 4.46Å; V75-F86 HydrophobicContact CG1-CG 4.18Å; V75-F86 HydrophobicContact CG2-CB 4.5Å; V75-F86 HydrophobicContact CG2-CD2 3.91Å; V75-F86 HydrophobicContact CG2-CG 4.44Å; V82-F86 VanDerWaalsContact O-CB 3.32Å; V82-F86 WeakPolarHBondContact O-CB 3.16Å; V82-F86 PolarHBondContact O-N 3.48Å; S83-F86 PolarHBondContact O-N 3.23Å; E84-F86 VanDerWaalsContact C-N 3.25Å; E84-F86 PolarHBondContact O-N 2.99Å; F86-Y88 VanDerWaalsContact C-N 3.33Å; F86-Y88 PolarHBondContact O-N 2.8Å; F86-L89 WeakPolarHBondContact O-CB 3.44Å; F86-L89 PolarHBondContact O-N 3.2Å; F86-L90 HydrophobicContact CD1-CD1 4.03Å; F86-L90 HydrophobicContact CE1-CD1 3.59Å; F86-L90 HydrophobicContact CE1-CG 4.27Å; F86-L90 HydrophobicContact CZ-CD1 4.28Å; F86-L90 WeakPolarHBondContact O-CG 3.46Å; F86-L90 PolarHBondContact O-N 3.23Å
87	L	91.3	Very high	87.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.3	-40.2	174.8	-68.1	173.1	0	0	0	111.6	H19 L23 S83 E84 L89 L90 Q91 W103 F109	H19-L87 HydrophobicContact CB-CD1 4.05Å; L23-L87 HydrophobicContact CD2-CD2 3.73Å; L23-L87 HydrophobicContact CD2-CG 4.19Å; S83-L87 WeakPolarHBondContact O-CG 3.38Å; S83-L87 PolarHBondContact O-N 2.85Å; S83-L87 VanDerWaalsContact O-N 3.17Å; E84-L87 PolarHBondContact O-N 2.96Å; E84-L87 VanDerWaalsContact O-N 3.13Å; L87-L89 PolarHBondContact O-N 3.42Å; L87-L90 PolarHBondContact O-N 3.16Å; L87-Q91 PolarHBondContact O-N 2.95Å; L87-W103 HydrophobicContact CD2-CH2 3.54Å; L87-W103 HydrophobicContact CD2-CZ3 4.04Å; L87-F109 HydrophobicContact CB-CD1 4.16Å; L87-F109 HydrophobicContact CB-CD2 3.93Å; L87-F109 HydrophobicContact CB-CE1 3.83Å; L87-F109 HydrophobicContact CB-CE2 3.57Å; L87-F109 HydrophobicContact CB-CG 4.21Å; L87-F109 HydrophobicContact CB-CZ 3.52Å; L87-F109 HydrophobicContact CD1-CD2 3.69Å; L87-F109 HydrophobicContact CD1-CE2 3.68Å; L87-F109 HydrophobicContact CD1-CZ 4.49Å; L87-F109 HydrophobicContact CG-CD2 4.44Å; L87-F109 HydrophobicContact CG-CE2 4.28Å
88	Y	91	Very high	86.6	Confident	24 Å²	24	28.1 Å²	28.1	9%	0.094	15%	0.148	C	C	.	.	H	α-helix	trans	-61.8	-39.5	174.9	-179.9	-118.1	0	0	0	112.6	E84 F85 F86 Q91 Q92 P111 T115 Q116 V120	E84-Y88 PolarHBondContact O-N 3.47Å; F85-Y88 HydrophobicContact CD2-CD1 4.05Å; F85-Y88 HydrophobicContact CE2-CD1 4.15Å; F85-Y88 WeakPolarHBondContact O-CB 3.34Å; F85-Y88 PolarHBondContact O-N 3.04Å; F86-Y88 VanDerWaalsContact C-N 3.33Å; F86-Y88 PolarHBondContact O-N 2.8Å; Y88-Q91 PolarHBondContact O-N 3.23Å; Y88-Q92 HydrophobicContact CD1-CG 4.31Å; Y88-Q92 HydrophobicContact CD2-CG 3.89Å; Y88-Q92 HydrophobicContact CE1-CG 3.96Å; Y88-Q92 HydrophobicContact CE2-CG 3.51Å; Y88-Q92 VanDerWaalsContact CE2-NE2 3.29Å; Y88-Q92 HydrophobicContact CG-CG 4.29Å; Y88-Q92 WeakPolarHBondContact O-CB 3.27Å; Y88-Q92 WeakPolarHBondContact O-CG 3.47Å; Y88-Q92 PolarHBondContact O-N 3.28Å; Y88-P111 HydrophobicContact CD2-CB 3.6Å; Y88-P111 HydrophobicContact CD2-CG 3.63Å; Y88-P111 HydrophobicContact CE2-CB 4.17Å; Y88-P111 HydrophobicContact CE2-CG 3.86Å; Y88-P111 HydrophobicContact CG-CB 4.2Å; Y88-T115 HydrophobicContact CD1-CG2 3.74Å; Y88-T115 HydrophobicContact CD2-CG2 4.45Å; Y88-T115 WeakPolarHBondContact CE1-O 3.36Å; Y88-T115 HydrophobicContact CG-CG2 3.66Å; Y88-Q116 HydrophobicContact CE2-CG 4.47Å; Y88-V120 HydrophobicContact CD1-CG2 3.98Å; Y88-V120 HydrophobicContact CE1-CG2 3.66Å
89	L	90.6	Very high	86	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.6	-45.4	173.6	-76.5	174.7	0	0	0	112	L40 N43 L44 F85 F86 L87 Q91 Q92 L93 V120	L40-L89 HydrophobicContact CD2-CB 4.43Å; N43-L89 HydrophobicContact CB-CD1 3.68Å; N43-L89 HydrophobicContact CB-CD2 3.53Å; N43-L89 HydrophobicContact CB-CG 4.27Å; L44-L89 HydrophobicContact CD2-CD1 4.49Å; L44-L89 HydrophobicContact CG-CD1 4.38Å; F85-L89 HydrophobicContact CD1-CD1 3.95Å; F85-L89 HydrophobicContact CD1-CG 4.2Å; F85-L89 HydrophobicContact CE1-CD1 3.54Å; F85-L89 HydrophobicContact CE1-CD2 4.12Å; F85-L89 HydrophobicContact CE1-CG 3.8Å; F85-L89 HydrophobicContact CE2-CD2 4.3Å; F85-L89 HydrophobicContact CE2-CG 4.3Å; F85-L89 HydrophobicContact CZ-CD1 4.06Å; F85-L89 HydrophobicContact CZ-CD2 3.74Å; F85-L89 HydrophobicContact CZ-CG 3.84Å; F85-L89 WeakPolarHBondContact O-CG 3.31Å; F85-L89 PolarHBondContact O-N 3.4Å; F86-L89 WeakPolarHBondContact O-CB 3.44Å; F86-L89 PolarHBondContact O-N 3.2Å; L87-L89 PolarHBondContact O-N 3.42Å; L89-Q91 VanDerWaalsContact C-N 3.27Å; L89-Q91 PolarHBondContact O-N 2.99Å; L89-Q92 PolarHBondContact O-N 2.94Å; L89-L93 HydrophobicContact CD2-CD1 4.5Å; L89-L93 WeakPolarHBondContact O-CB 3.33Å; L89-L93 PolarHBondContact O-N 3.39Å; L89-V120 HydrophobicContact CD2-CB 4.13Å; L89-V120 HydrophobicContact CD2-CG1 3.59Å; L89-V120 HydrophobicContact CD2-CG2 3.69Å
90	L	89.4	Confident	85.7	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-62	-37.7	177.5	-62.6	177	0	0	0	111.5	L30 I34 L40 F86 L87 Y97 L100 W103 L104	L30-L90 HydrophobicContact CD2-CD1 3.87Å; I34-L90 HydrophobicContact CD1-CD2 4.25Å; I34-L90 HydrophobicContact CG1-CD2 4.39Å; L40-L90 HydrophobicContact CD2-CD2 4.06Å; F86-L90 HydrophobicContact CD1-CD1 4.03Å; F86-L90 HydrophobicContact CE1-CD1 3.59Å; F86-L90 HydrophobicContact CE1-CG 4.27Å; F86-L90 HydrophobicContact CZ-CD1 4.28Å; F86-L90 WeakPolarHBondContact O-CG 3.46Å; F86-L90 PolarHBondContact O-N 3.23Å; L87-L90 PolarHBondContact O-N 3.16Å; L90-Y97 HydrophobicContact CD2-CD1 3.92Å; L90-Y97 HydrophobicContact CD2-CD2 3.61Å; L90-Y97 HydrophobicContact CD2-CE1 4.25Å; L90-Y97 HydrophobicContact CD2-CE2 3.94Å; L90-Y97 HydrophobicContact CD2-CG 3.61Å; L90-L100 HydrophobicContact CD1-CD1 3.89Å; L90-L100 HydrophobicContact CD2-CD1 3.96Å; L90-L100 HydrophobicContact CG-CD1 4.4Å; L90-W103 HydrophobicContact CD1-CZ3 4.35Å; L90-L104 HydrophobicContact CB-CD1 4.1Å
91	Q	86.6	Confident	85.2	Confident	68 Å²	68	27.3 Å²	27.3	32%	0.318	14%	0.138	S	C	.	.	H	α-helix	trans	-69.1	-45.8	176.7	-173	-178.3	45	0	0	112.9	L87 Y88 L89 L104 F109	L87-Q91 PolarHBondContact O-N 2.95Å; Y88-Q91 PolarHBondContact O-N 3.23Å; L89-Q91 VanDerWaalsContact C-N 3.27Å; L89-Q91 PolarHBondContact O-N 2.99Å; Q91-L104 HydrophobicContact CB-CD1 4.32Å; Q91-F109 PolarHBondContact NE2-O 3.06Å
92	Q	85.1	Confident	84.8	Confident	95 Å²	95	27.8 Å²	27.8	44%	0.444	15%	0.147	S	C	.	.	H	α-helix	trans	-72.5	-34.7	-178	-70.7	-59.9	-43	0	0	112.7	Y88 L89 A94 V120	Y88-Q92 HydrophobicContact CD1-CG 4.31Å; Y88-Q92 HydrophobicContact CD2-CG 3.89Å; Y88-Q92 HydrophobicContact CE1-CG 3.96Å; Y88-Q92 HydrophobicContact CE2-CG 3.51Å; Y88-Q92 VanDerWaalsContact CE2-NE2 3.29Å; Y88-Q92 HydrophobicContact CG-CG 4.29Å; Y88-Q92 WeakPolarHBondContact O-CB 3.27Å; Y88-Q92 WeakPolarHBondContact O-CG 3.47Å; Y88-Q92 PolarHBondContact O-N 3.28Å; L89-Q92 PolarHBondContact O-N 2.94Å; Q92-A94 VanDerWaalsContact C-N 3.27Å; Q92-A94 PolarHBondContact O-N 3.17Å; Q92-V120 HydrophobicContact CB-CB 4.48Å; Q92-V120 HydrophobicContact CB-CG1 4.07Å; Q92-V120 HydrophobicContact CB-CG2 4.41Å; Q92-V120 HydrophobicContact CG-CG2 4.34Å
93	L	83.9	Confident	84.6	Confident	4 Å²	4	28 Å²	28	2%	0.021	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	50.2	-179.9	-61.1	172.4	0	0	0	111.6	C39 L89 D95 A96 Y97 V120 N122	C39-L93 VanDerWaalsContact SG-CD1 3.56Å; L89-L93 HydrophobicContact CD2-CD1 4.5Å; L89-L93 WeakPolarHBondContact O-CB 3.33Å; L89-L93 PolarHBondContact O-N 3.39Å; L93-D95 PolarHBondContact O-N 3.26Å; L93-A96 HydrophobicContact CB-CB 4.24Å; L93-A96 PolarHBondContact O-N 2.9Å; L93-Y97 HydrophobicContact CB-CD2 3.91Å; L93-Y97 HydrophobicContact CB-CE2 3.81Å; L93-Y97 HydrophobicContact CD1-CE2 4.05Å; L93-Y97 PolarHBondContact O-N 2.96Å; L93-Y97 VanDerWaalsContact O-N 3.17Å; L93-V120 HydrophobicContact CD1-CG1 4.15Å; L93-V120 HydrophobicContact CD2-CG1 3.99Å; L93-V120 HydrophobicContact CG-CG1 3.87Å; L93-N122 HydrophobicContact CD2-CB 3.62Å
94	A	74.6	Confident	84.3	Confident	30 Å²	30	28.6 Å²	28.6	25%	0.248	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.3	-172.6	0	0	0	0	0	115.2	Q92 V98 R101	Q92-A94 VanDerWaalsContact C-N 3.27Å; Q92-A94 PolarHBondContact O-N 3.17Å; A94-V98 VanDerWaalsContact O-CA 3.31Å; A94-V98 WeakPolarHBondContact O-CA 3.37Å; A94-V98 VanDerWaalsContact O-CG2 3.25Å; A94-V98 WeakPolarHBondContact O-CG2 3.39Å; A94-V98 PolarHBondContact O-N 3.02Å; A94-R101 PolarHBondContact O-NE 3.42Å; A94-R101 PolarHBondContact O-NH2 3.36Å
95	D	75.6	Confident	83.9	Confident	8 Å²	8	34.4 Å²	34.4	4%	0.043	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-29.1	176.6	-73	-38.2	0	0	0	113.8	L93 V98 R101 S127 R134 K229	L93-D95 PolarHBondContact O-N 3.26Å; D95-V98 WeakPolarHBondContact O-CG2 3.31Å; D95-R101 IonicContact OD1-NH2 3.36Å; D95-R101 PolarHBondContact OD1-NH2 2.81Å; D95-S127 VanDerWaalsContact CB-OG 3.22Å; D95-S127 WeakPolarHBondContact CB-OG 3.36Å; D95-R134 IonicContact OD1-CZ 2.73Å; D95-R134 IonicContact OD1-NH1 3.42Å; D95-R134 PolarHBondContact OD1-NH1 3.17Å; D95-R134 IonicContact OD1-NH2 2.62Å; D95-R134 PolarHBondContact OD1-NH2 3.14Å; D95-R134 IonicContact OD2-CZ 3.28Å; D95-R134 IonicContact OD2-NH1 2.68Å; D95-R134 PolarHBondContact OD2-NH1 2.98Å; D95-K229 PolarHBondContact O-NZ 2.76Å
96	A	78	Confident	83.6	Confident	19 Å²	19	42.4 Å²	42.4	16%	0.157	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-37.4	173.8	0	0	0	0	0	110.4	L93 D124	L93-A96 HydrophobicContact CB-CB 4.24Å; L93-A96 PolarHBondContact O-N 2.9Å; A96-D124 HydrophobicContact CB-CB 4.42Å
97	Y	82.7	Confident	83.2	Confident	3 Å²	3	44.5 Å²	44.5	1%	0.012	23%	0.23	C	C	.	.	S	Bend	trans	-120.1	43	-174.9	-46.8	-69.2	0	0	0	113.2	I34 N36 L40 L90 L93 D99 L100	I34-Y97 HydrophobicContact CG2-CE1 4.12Å; N36-Y97 PolarHBondContact O-OH 2.74Å; N36-Y97 VanDerWaalsContact O-OH 3.12Å; L40-Y97 HydrophobicContact CD1-CE1 4.42Å; L40-Y97 HydrophobicContact CD2-CE1 4.43Å; L40-Y97 HydrophobicContact CD2-CE2 3.97Å; L40-Y97 WeakPolarHBondContact CD2-OH 3.16Å; L40-Y97 HydrophobicContact CG-CE1 4.39Å; L40-Y97 VanDerWaalsContact CG-OH 3.26Å; L40-Y97 WeakPolarHBondContact CG-OH 3.49Å; L90-Y97 HydrophobicContact CD2-CD1 3.92Å; L90-Y97 HydrophobicContact CD2-CD2 3.61Å; L90-Y97 HydrophobicContact CD2-CE1 4.25Å; L90-Y97 HydrophobicContact CD2-CE2 3.94Å; L90-Y97 HydrophobicContact CD2-CG 3.61Å; L93-Y97 HydrophobicContact CB-CD2 3.91Å; L93-Y97 HydrophobicContact CB-CE2 3.81Å; L93-Y97 HydrophobicContact CD1-CE2 4.05Å; L93-Y97 PolarHBondContact O-N 2.96Å; L93-Y97 VanDerWaalsContact O-N 3.17Å; Y97-D99 PolarHBondContact O-N 2.79Å; Y97-D99 VanDerWaalsContact O-N 3.16Å; Y97-L100 PolarHBondContact O-N 3.25Å
98	V	71.8	Confident	82.8	Confident	46 Å²	46	47.1 Å²	47.1	28%	0.279	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-49.5	-43.3	-177.8	-177.3	0	0	0	0	112.5	A94 D95 L100 R101	A94-V98 VanDerWaalsContact O-CA 3.31Å; A94-V98 WeakPolarHBondContact O-CA 3.37Å; A94-V98 VanDerWaalsContact O-CG2 3.25Å; A94-V98 WeakPolarHBondContact O-CG2 3.39Å; A94-V98 PolarHBondContact O-N 3.02Å; D95-V98 WeakPolarHBondContact O-CG2 3.31Å; V98-L100 PolarHBondContact O-N 3.08Å; V98-L100 VanDerWaalsContact O-N 3.11Å; V98-R101 WeakPolarHBondContact O-CB 3.43Å; V98-R101 WeakPolarHBondContact O-CG 3.27Å; V98-R101 PolarHBondContact O-N 2.77Å
99	D	77.7	Confident	82.5	Confident	78 Å²	78	46.9 Å²	46.9	42%	0.417	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-62.9	-19.6	-175.8	-58.5	-11.5	0	0	0	113.1	H33 Y97	H33-D99 HydrophobicContact CB-CB 4.03Å; H33-D99 WeakPolarHBondContact ND1-CB 3.31Å; H33-D99 IonicContact ND1-OD2 3.97Å; Y97-D99 PolarHBondContact O-N 2.79Å; Y97-D99 VanDerWaalsContact O-N 3.16Å
100	L	83.5	Confident	82.3	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-91.3	-7.3	179.4	-64.9	179.1	0	0	0	113.4	L29 L30 H33 I34 L90 Y97 V98 W103 L104	L29-L100 HydrophobicContact CD2-CD2 3.33Å; L29-L100 HydrophobicContact CG-CD2 4.43Å; L30-L100 HydrophobicContact CD2-CD1 3.89Å; L30-L100 HydrophobicContact CD2-CD2 4.11Å; H33-L100 HydrophobicContact CB-CD2 3.6Å; H33-L100 HydrophobicContact CB-CG 3.98Å; I34-L100 HydrophobicContact CD1-CD1 4.47Å; I34-L100 HydrophobicContact CG1-CD1 3.84Å; L90-L100 HydrophobicContact CD1-CD1 3.89Å; L90-L100 HydrophobicContact CD2-CD1 3.96Å; L90-L100 HydrophobicContact CG-CD1 4.4Å; Y97-L100 PolarHBondContact O-N 3.25Å; V98-L100 PolarHBondContact O-N 3.08Å; V98-L100 VanDerWaalsContact O-N 3.11Å; L100-W103 HydrophobicContact CB-CE3 4.39Å; L100-W103 HydrophobicContact CD2-CE3 4.28Å; L100-W103 PolarHBondContact O-N 3.07Å; L100-L104 HydrophobicContact CB-CD1 4.47Å; L100-L104 WeakPolarHBondContact O-CG 3.05Å; L100-L104 PolarHBondContact O-N 3.39Å
101	R	79.2	Confident	82.1	Confident	90 Å²	90	52.3 Å²	52.3	34%	0.34	29%	0.294	S	S	.	.	H	α-helix	trans	-59.9	-45.1	-178.8	-66.6	-174.6	-147.1	175.5	2.9	114	A94 D95 V98 W103 L104 L105	A94-R101 PolarHBondContact O-NE 3.42Å; A94-R101 PolarHBondContact O-NH2 3.36Å; D95-R101 IonicContact OD1-NH2 3.36Å; D95-R101 PolarHBondContact OD1-NH2 2.81Å; V98-R101 WeakPolarHBondContact O-CB 3.43Å; V98-R101 WeakPolarHBondContact O-CG 3.27Å; V98-R101 PolarHBondContact O-N 2.77Å; R101-W103 VanDerWaalsContact C-N 3.28Å; R101-W103 PolarHBondContact O-N 2.89Å; R101-L104 PolarHBondContact O-N 2.72Å; R101-L105 WeakPolarHBondContact O-CG 3.47Å; R101-L105 PolarHBondContact O-N 3.31Å
102	P	81.2	Confident	82.1	Confident	89 Å²	89	51.1 Å²	51.1	58%	0.578	29%	0.293	S	S	*	.	H	α-helix	trans	-58.9	-43.6	179.1	-23.2	34.8	0	0	0	111.4	L105 E106	P102-L105 PolarHBondContact O-N 2.84Å; P102-E106 WeakPolarHBondContact O-CB 3.32Å; P102-E106 PolarHBondContact O-N 3.02Å
103	W	86.2	Confident	82.1	Confident	12 Å²	12	53.6 Å²	53.6	5%	0.045	31%	0.309	C	S	.	.	H	α-helix	trans	-64.4	-44.5	176.3	171.9	70.6	0	0	0	112.5	N26 L29 L30 L87 L90 L100 R101 L105 E106 I107	N26-W103 HydrophobicContact CB-CZ2 3.65Å; N26-W103 PolarHBondContact OD1-NE1 3.29Å; L29-W103 HydrophobicContact CD1-CB 4.34Å; L29-W103 HydrophobicContact CD1-CG 4.19Å; L29-W103 HydrophobicContact CD2-CB 4.24Å; L29-W103 HydrophobicContact CD2-CD2 3.82Å; L29-W103 HydrophobicContact CD2-CE3 4.15Å; L29-W103 HydrophobicContact CD2-CG 3.85Å; L30-W103 HydrophobicContact CD1-CH2 4.3Å; L30-W103 HydrophobicContact CD2-CE3 4.35Å; L30-W103 HydrophobicContact CD2-CH2 3.81Å; L30-W103 HydrophobicContact CD2-CZ3 3.65Å; L30-W103 HydrophobicContact CG-CH2 4.34Å; L87-W103 HydrophobicContact CD2-CH2 3.54Å; L87-W103 HydrophobicContact CD2-CZ3 4.04Å; L90-W103 HydrophobicContact CD1-CZ3 4.35Å; L100-W103 HydrophobicContact CB-CE3 4.39Å; L100-W103 HydrophobicContact CD2-CE3 4.28Å; L100-W103 PolarHBondContact O-N 3.07Å; R101-W103 VanDerWaalsContact C-N 3.28Å; R101-W103 PolarHBondContact O-N 2.89Å; W103-L105 VanDerWaalsContact C-N 3.27Å; W103-L105 PolarHBondContact O-N 2.57Å; W103-E106 PolarHBondContact O-N 3.26Å; W103-I107 HydrophobicContact CH2-CD1 4.13Å; W103-I107 HydrophobicContact CZ2-CD1 4.02Å; W103-I107 HydrophobicContact CZ2-CG2 4.46Å; W103-I107 HydrophobicContact CZ3-CD1 4.4Å; W103-I107 WeakPolarHBondContact O-CG1 3.22Å; W103-I107 WeakPolarHBondContact O-CG2 3.05Å; W103-I107 PolarHBondContact O-N 3.05Å
104	L	85.1	Confident	82.1	Confident	14 Å²	14	58.1 Å²	58.1	7%	0.073	33%	0.332	C	S	.	.	H	α-helix	trans	-61.6	-34	176.8	-74.4	170.5	0	0	0	112.9	L90 Q91 L100 R101 I107	L90-L104 HydrophobicContact CB-CD1 4.1Å; Q91-L104 HydrophobicContact CB-CD1 4.32Å; L100-L104 HydrophobicContact CB-CD1 4.47Å; L100-L104 WeakPolarHBondContact O-CG 3.05Å; L100-L104 PolarHBondContact O-N 3.39Å; R101-L104 PolarHBondContact O-N 2.72Å; L104-I107 HydrophobicContact CD2-CD1 4.11Å; L104-I107 WeakPolarHBondContact O-CG1 3.42Å
105	L	83.2	Confident	82.6	Confident	141 Å²	141	56.7 Å²	56.7	74%	0.738	32%	0.32	S	S	*	.	H	α-helix	trans	-72.3	-42.3	173.7	-72.5	167.4	0	0	0	111.6	R101 P102 W103 G108	R101-L105 WeakPolarHBondContact O-CG 3.47Å; R101-L105 PolarHBondContact O-N 3.31Å; P102-L105 PolarHBondContact O-N 2.84Å; W103-L105 VanDerWaalsContact C-N 3.27Å; W103-L105 PolarHBondContact O-N 2.57Å; L105-G108 PolarHBondContact O-N 2.75Å; L105-G108 VanDerWaalsContact O-N 3.17Å
106	E	85.9	Confident	83.1	Confident	167 Å²	167	60.9 Å²	60.9	78%	0.78	34%	0.34	S	S	*	.	H	α-helix	trans	-61.5	-43.1	178.8	-175.7	-178.2	178.5	0	0	112.3	P102 W103 G108	P102-E106 WeakPolarHBondContact O-CB 3.32Å; P102-E106 PolarHBondContact O-N 3.02Å; W103-E106 PolarHBondContact O-N 3.26Å; E106-G108 PolarHBondContact O-N 3.19Å
107	I	85.2	Confident	83.4	Confident	44 Å²	44	64 Å²	64	23%	0.226	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-9.9	177.9	67.7	177	0	0	0	113.4	L22 W103 L104 F109	L22-I107 HydrophobicContact CD2-CB 4.35Å; L22-I107 HydrophobicContact CD2-CG2 4.12Å; W103-I107 HydrophobicContact CH2-CD1 4.13Å; W103-I107 HydrophobicContact CZ2-CD1 4.02Å; W103-I107 HydrophobicContact CZ2-CG2 4.46Å; W103-I107 HydrophobicContact CZ3-CD1 4.4Å; W103-I107 WeakPolarHBondContact O-CG1 3.22Å; W103-I107 WeakPolarHBondContact O-CG2 3.05Å; W103-I107 PolarHBondContact O-N 3.05Å; L104-I107 HydrophobicContact CD2-CD1 4.11Å; L104-I107 WeakPolarHBondContact O-CG1 3.42Å; I107-F109 VanDerWaalsContact C-N 3.27Å; I107-F109 HydrophobicContact CD1-CB 3.78Å; I107-F109 HydrophobicContact CG1-CB 3.86Å; I107-F109 PolarHBondContact O-N 3.45Å
108	G	82.6	Confident	83.6	Confident	55 Å²	55	66.5 Å²	66.5	57%	0.567	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	31.5	-179.6	0	0	0	0	0	114.4	L105 E106 S110	L105-G108 PolarHBondContact O-N 2.75Å; L105-G108 VanDerWaalsContact O-N 3.17Å; E106-G108 PolarHBondContact O-N 3.19Å; G108-S110 PolarHBondContact O-N 3.01Å
109	F	84.9	Confident	84.2	Confident	20 Å²	20	68 Å²	68	9%	0.088	38%	0.38	C	S	.	.			trans	-62.5	119.8	-172.8	172.7	-99.1	0	0	0	112.3	H19 E84 L87 Q91 I107 P111	H19-F109 AromaticContact CE1-CE2 3.67Å; H19-F109 AromaticContact ND1-CE2 3.76Å; E84-F109 HydrophobicContact CG-CE2 3.98Å; E84-F109 HydrophobicContact CG-CZ 3.93Å; E84-F109 WeakPolarHBondContact O-CZ 3.33Å; L87-F109 HydrophobicContact CB-CD1 4.16Å; L87-F109 HydrophobicContact CB-CD2 3.93Å; L87-F109 HydrophobicContact CB-CE1 3.83Å; L87-F109 HydrophobicContact CB-CE2 3.57Å; L87-F109 HydrophobicContact CB-CG 4.21Å; L87-F109 HydrophobicContact CB-CZ 3.52Å; L87-F109 HydrophobicContact CD1-CD2 3.69Å; L87-F109 HydrophobicContact CD1-CE2 3.68Å; L87-F109 HydrophobicContact CD1-CZ 4.49Å; L87-F109 HydrophobicContact CG-CD2 4.44Å; L87-F109 HydrophobicContact CG-CE2 4.28Å; Q91-F109 PolarHBondContact NE2-O 3.06Å; I107-F109 VanDerWaalsContact C-N 3.27Å; I107-F109 HydrophobicContact CD1-CB 3.78Å; I107-F109 HydrophobicContact CG1-CB 3.86Å; I107-F109 PolarHBondContact O-N 3.45Å; F109-P111 HydrophobicContact CE1-CB 4Å; F109-P111 HydrophobicContact CE1-CG 4.43Å; F109-P111 HydrophobicContact CZ-CB 4.06Å
110	S	85	Confident	84.6	Confident	95 Å²	95	66.2 Å²	66.2	66%	0.664	37%	0.372	S	S	*	.			trans	-115.3	118.1	172.6	61.3	0	0	0	0	110.4	G108	G108-S110 PolarHBondContact O-N 3.01Å
111	P	86.1	Confident	84.7	Confident	20 Å²	20	67.8 Å²	67.8	13%	0.13	38%	0.382	C	S	.	.			trans	-73.8	143.5	-179.8	30.2	-35.4	0	0	0	111.7	Y88 F109 T115 Q116	Y88-P111 HydrophobicContact CD2-CB 3.6Å; Y88-P111 HydrophobicContact CD2-CG 3.63Å; Y88-P111 HydrophobicContact CE2-CB 4.17Å; Y88-P111 HydrophobicContact CE2-CG 3.86Å; Y88-P111 HydrophobicContact CG-CB 4.2Å; F109-P111 HydrophobicContact CE1-CB 4Å; F109-P111 HydrophobicContact CE1-CG 4.43Å; F109-P111 HydrophobicContact CZ-CB 4.06Å; P111-T115 HydrophobicContact CB-CG2 4.15Å; P111-Q116 HydrophobicContact CB-CG 4.12Å; P111-Q116 HydrophobicContact CG-CG 3.84Å; P111-Q116 PolarHBondContact O-NE2 2.77Å
112	S	87.1	Confident	84.9	Confident	42 Å²	42	64.2 Å²	64.2	29%	0.294	37%	0.37	S	S	.	.			trans	-63	156.7	172.4	72.1	0	0	0	0	112	E84 L114 T115 Q116	E84-S112 VanDerWaalsContact CD-OG 3.3Å; E84-S112 WeakPolarHBondContact OE1-CA 3.22Å; E84-S112 WeakPolarHBondContact OE1-CB 3.41Å; E84-S112 PolarHBondContact OE1-N 3.04Å; E84-S112 PolarHBondContact OE1-OG 2.84Å; E84-S112 VanDerWaalsContact OE1-OG 3.1Å; E84-S112 PolarHBondContact OE2-OG 3.37Å; S112-L114 PolarHBondContact O-N 3.41Å; S112-T115 PolarHBondContact O-N 3.12Å; S112-T115 VanDerWaalsContact O-N 3.12Å; S112-T115 PolarHBondContact OG-N 3.21Å; S112-T115 PolarHBondContact OG-OG1 3.26Å; S112-Q116 WeakPolarHBondContact O-CG 3.4Å; S112-Q116 PolarHBondContact O-N 3.22Å
113	L	84.5	Confident	85	Confident	148 Å²	148	61.3 Å²	61.3	78%	0.775	35%	0.35	S	S	*	.	H	α-helix	trans	-56.7	-33.9	176.3	-75.9	157.8	0	0	0	112.4	S117	L113-S117 PolarHBondContact O-N 3.49Å
114	L	83.9	Confident	84.9	Confident	98 Å²	98	61.3 Å²	61.3	51%	0.513	35%	0.351	S	S	.	.	H	α-helix	trans	-65.9	-47.8	176.8	-171	77.6	0	0	0	110.5	E81 S112 Q116 S117	E81-L114 HydrophobicContact CG-CD2 4.34Å; S112-L114 PolarHBondContact O-N 3.41Å; L114-Q116 PolarHBondContact O-N 3.19Å; L114-S117 WeakPolarHBondContact O-CB 3.41Å; L114-S117 PolarHBondContact O-N 2.82Å; L114-S117 PolarHBondContact O-OG 3.48Å
115	T	85.7	Confident	84.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-66.3	-36.7	178.9	-68.5	0	0	0	0	112	E84 F85 Y88 P111 S112 S117 K118	E84-T115 VanDerWaalsContact CD-OG1 3.31Å; E84-T115 HydrophobicContact CG-CG2 4.21Å; E84-T115 PolarHBondContact OE2-OG1 3.08Å; F85-T115 HydrophobicContact CB-CG2 4.3Å; F85-T115 HydrophobicContact CD2-CG2 4.19Å; Y88-T115 HydrophobicContact CD1-CG2 3.74Å; Y88-T115 HydrophobicContact CD2-CG2 4.45Å; Y88-T115 WeakPolarHBondContact CE1-O 3.36Å; Y88-T115 HydrophobicContact CG-CG2 3.66Å; P111-T115 HydrophobicContact CB-CG2 4.15Å; S112-T115 PolarHBondContact O-N 3.12Å; S112-T115 VanDerWaalsContact O-N 3.12Å; S112-T115 PolarHBondContact OG-N 3.21Å; S112-T115 PolarHBondContact OG-OG1 3.26Å; T115-S117 PolarHBondContact O-N 2.86Å; T115-K118 WeakPolarHBondContact O-CB 3.42Å; T115-K118 PolarHBondContact O-N 2.94Å; T115-K118 VanDerWaalsContact O-N 3.15Å
116	Q	84.8	Confident	85	Confident	96 Å²	96	54.8 Å²	54.8	45%	0.449	32%	0.318	S	S	.	.	H	α-helix	trans	-62.3	-27.3	174.2	-70.7	176.3	17.5	0	0	113.5	Y88 P111 S112 L114 K118	Y88-Q116 HydrophobicContact CE2-CG 4.47Å; P111-Q116 HydrophobicContact CB-CG 4.12Å; P111-Q116 HydrophobicContact CG-CG 3.84Å; P111-Q116 PolarHBondContact O-NE2 2.77Å; S112-Q116 WeakPolarHBondContact O-CG 3.4Å; S112-Q116 PolarHBondContact O-N 3.22Å; L114-Q116 PolarHBondContact O-N 3.19Å; Q116-K118 VanDerWaalsContact C-N 3.27Å; Q116-K118 PolarHBondContact O-N 3.13Å
117	S	85.7	Confident	85.1	Confident	86 Å²	86	46.9 Å²	46.9	60%	0.601	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-13.6	178	77.3	0	0	0	0	114.1	L113 L114 T115	L113-S117 PolarHBondContact O-N 3.49Å; L114-S117 WeakPolarHBondContact O-CB 3.41Å; L114-S117 PolarHBondContact O-N 2.82Å; L114-S117 PolarHBondContact O-OG 3.48Å; T115-S117 PolarHBondContact O-N 2.86Å
118	K	87.1	Confident	85.1	Confident	54 Å²	54	48 Å²	48	24%	0.235	28%	0.282	C	S	.	.	S	Bend	trans	-76.2	147.3	-177.6	-62.5	-73.6	174.2	152	0	111.2	N47 Y49 E81 F85 T115 Q116 V120	N47-K118 HydrophobicContact CB-CD 4.43Å; Y49-K118 HydrophobicContact CE2-CD 4.32Å; Y49-K118 WeakPolarHBondContact OH-CE 3.23Å; Y49-K118 PolarHBondContact OH-NZ 3.41Å; E81-K118 IonicContact OE1-NZ 3.75Å; F85-K118 HydrophobicContact CD2-CB 3.74Å; F85-K118 HydrophobicContact CD2-CG 4.06Å; F85-K118 HydrophobicContact CE2-CB 3.39Å; F85-K118 HydrophobicContact CE2-CG 4.17Å; F85-K118 HydrophobicContact CZ-CB 4.29Å; T115-K118 WeakPolarHBondContact O-CB 3.42Å; T115-K118 PolarHBondContact O-N 2.94Å; T115-K118 VanDerWaalsContact O-N 3.15Å; Q116-K118 VanDerWaalsContact C-N 3.27Å; Q116-K118 PolarHBondContact O-N 3.13Å; K118-V120 PolarHBondContact O-N 3.06Å
119	V	84.6	Confident	85.5	Confident	77 Å²	77	45.5 Å²	45.5	47%	0.467	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-86.6	116.9	-175.3	179.9	0	0	0	0	109.7	N47 V121	N47-V119 PolarHBondContact ND2-O 3Å; N47-V119 PolarHBondContact OD1-N 3.27Å; N47-V119 VanDerWaalsContact OD1-N 3.15Å; V119-V121 HydrophobicContact CG1-CG2 4.04Å
120	V	86.1	Confident	85.7	Confident	41 Å²	41	44.6 Å²	44.6	25%	0.248	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-98.8	124.5	171.3	-179	0	0	0	0	109.7	N43 F85 Y88 L89 Q92 L93 K118	N43-V120 WeakPolarHBondContact OD1-CA 3.47Å; F85-V120 HydrophobicContact CE2-CG2 4.18Å; F85-V120 HydrophobicContact CZ-CG2 4.5Å; Y88-V120 HydrophobicContact CD1-CG2 3.98Å; Y88-V120 HydrophobicContact CE1-CG2 3.66Å; L89-V120 HydrophobicContact CD2-CB 4.13Å; L89-V120 HydrophobicContact CD2-CG1 3.59Å; L89-V120 HydrophobicContact CD2-CG2 3.69Å; Q92-V120 HydrophobicContact CB-CB 4.48Å; Q92-V120 HydrophobicContact CB-CG1 4.07Å; Q92-V120 HydrophobicContact CB-CG2 4.41Å; Q92-V120 HydrophobicContact CG-CG2 4.34Å; L93-V120 HydrophobicContact CD1-CG1 4.15Å; L93-V120 HydrophobicContact CD2-CG1 3.99Å; L93-V120 HydrophobicContact CG-CG1 3.87Å; K118-V120 PolarHBondContact O-N 3.06Å
121	V	84	Confident	85.9	Confident	34 Å²	34	43.8 Å²	43.8	21%	0.206	24%	0.237	C	C	.	.			trans	-115.7	123.2	176.2	-176.1	0	0	0	0	109.3	N43 K46 V119 T123	N43-V121 PolarHBondContact ND2-O 3.06Å; N43-V121 PolarHBondContact OD1-N 2.76Å; N43-V121 PolarHBondContact OD1-O 2.93Å; K46-V121 HydrophobicContact CD-CG2 3.69Å; V119-V121 HydrophobicContact CG1-CG2 4.04Å; V121-T123 HydrophobicContact CB-CG2 4.41Å; V121-T123 HydrophobicContact CG1-CG2 3.92Å; V121-T123 PolarHBondContact O-N 2.92Å; V121-T123 VanDerWaalsContact O-N 3.11Å
122	N	83.2	Confident	86	Confident	16 Å²	16	44.7 Å²	44.7	9%	0.086	24%	0.24	C	C	.	.			trans	-74.2	102.3	169.6	-169	2.8	0	0	0	110.4	L93 D124 S127 R128 Q131	L93-N122 HydrophobicContact CD2-CB 3.62Å; N122-D124 PolarHBondContact OD1-N 2.85Å; N122-S127 WeakPolarHBondContact ND2-CB 3.36Å; N122-S127 PolarHBondContact ND2-OG 3.45Å; N122-R128 PolarHBondContact ND2-N 3.39Å; N122-Q131 VanDerWaalsContact ND2-CD 3.33Å; N122-Q131 PolarHBondContact ND2-NE2 3.2Å; N122-Q131 PolarHBondContact ND2-OE1 3.27Å
123	T	83.8	Confident	86.2	Confident	27 Å²	27	42.7 Å²	42.7	17%	0.166	23%	0.226	C	C	.	.			trans	-95.9	-8.9	175.5	62.3	0	0	0	0	113.4	C39 D42 V121 P125	C39-T123 WeakPolarHBondContact CA-OG1 3.39Å; D42-T123 HydrophobicContact CB-CG2 4.01Å; D42-T123 VanDerWaalsContact OD2-CB 3.25Å; D42-T123 WeakPolarHBondContact OD2-CB 3.46Å; D42-T123 PolarHBondContact OD2-OG1 3.28Å; V121-T123 HydrophobicContact CB-CG2 4.41Å; V121-T123 HydrophobicContact CG1-CG2 3.92Å; V121-T123 PolarHBondContact O-N 2.92Å; V121-T123 VanDerWaalsContact O-N 3.11Å; T123-P125 VanDerWaalsContact O-CD 3.3Å; T123-P125 WeakPolarHBondContact O-CD 3.22Å
124	D	84.8	Confident	86.5	Confident	13 Å²	13	38.1 Å²	38.1	7%	0.07	20%	0.199	C	C	.	.			trans	-70.2	116.7	177.1	177.4	63.7	0	0	0	111.3	N36 C39 A96 N122 V126 S127 R128	N36-D124 WeakPolarHBondContact ND2-CB 3.12Å; N36-D124 VanDerWaalsContact ND2-CG 3.35Å; N36-D124 PolarHBondContact ND2-OD1 2.63Å; C39-D124 HydrophobicContact CB-CB 4.32Å; A96-D124 HydrophobicContact CB-CB 4.42Å; N122-D124 PolarHBondContact OD1-N 2.85Å; D124-V126 VanDerWaalsContact C-N 3.32Å; D124-V126 PolarHBondContact O-N 3.14Å; D124-S127 PolarHBondContact O-N 3.17Å; D124-S127 WeakPolarHBondContact OD2-CA 3.43Å; D124-S127 WeakPolarHBondContact OD2-CB 3.36Å; D124-S127 PolarHBondContact OD2-N 3.36Å; D124-R128 VanDerWaalsContact O-CB 3.28Å; D124-R128 WeakPolarHBondContact O-CB 3.42Å; D124-R128 PolarHBondContact O-N 3.43Å
125	P	85	Confident	86.7	Confident	15 Å²	15	40.1 Å²	40.1	10%	0.097	21%	0.205	C	C	.	.	H	α-helix	trans	-60.7	-38.2	-176.5	-30.7	42.2	0	0	0	113.7	T123 Y129 D264 E267 V268	T123-P125 VanDerWaalsContact O-CD 3.3Å; T123-P125 WeakPolarHBondContact O-CD 3.22Å; P125-Y129 WeakPolarHBondContact O-CB 3.16Å; P125-Y129 PolarHBondContact O-N 3.36Å; P125-D264 HydrophobicContact CB-CB 4.12Å; P125-D264 HydrophobicContact CG-CB 4.02Å; P125-E267 VanDerWaalsContact CG-OE2 3.29Å; P125-E267 WeakPolarHBondContact CG-OE2 3.12Å; P125-V268 HydrophobicContact CB-CG2 3.96Å
126	V	86.1	Confident	86.6	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.018	22%	0.216	C	C	.	.	H	α-helix	trans	-67.5	-48	-179.6	171.1	0	0	0	0	111.9	D124 Y129 T130 F230 F271	D124-V126 VanDerWaalsContact C-N 3.32Å; D124-V126 PolarHBondContact O-N 3.14Å; V126-Y129 PolarHBondContact O-N 2.99Å; V126-T130 WeakPolarHBondContact O-CB 3.45Å; V126-T130 PolarHBondContact O-N 3.42Å; V126-T130 PolarHBondContact O-OG1 2.84Å; V126-F230 HydrophobicContact CG1-CE1 4.31Å; V126-F230 HydrophobicContact CG1-CZ 3.87Å; V126-F271 HydrophobicContact CB-CG 4.46Å; V126-F271 HydrophobicContact CG1-CD1 3.76Å; V126-F271 HydrophobicContact CG1-CD2 4.34Å; V126-F271 HydrophobicContact CG1-CE1 3.8Å; V126-F271 HydrophobicContact CG1-CE2 4.37Å; V126-F271 HydrophobicContact CG1-CG 4.06Å; V126-F271 HydrophobicContact CG1-CZ 4.12Å; V126-F271 HydrophobicContact CG2-CB 3.6Å; V126-F271 HydrophobicContact CG2-CD1 4.06Å; V126-F271 HydrophobicContact CG2-CD2 3.88Å; V126-F271 HydrophobicContact CG2-CG 3.57Å
127	S	86.2	Confident	86.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.8	-41.7	176.7	175.8	0	0	0	0	110.8	D95 N122 D124 Y129 T130 Q131	D95-S127 VanDerWaalsContact CB-OG 3.22Å; D95-S127 WeakPolarHBondContact CB-OG 3.36Å; N122-S127 WeakPolarHBondContact ND2-CB 3.36Å; N122-S127 PolarHBondContact ND2-OG 3.45Å; D124-S127 PolarHBondContact O-N 3.17Å; D124-S127 WeakPolarHBondContact OD2-CA 3.43Å; D124-S127 WeakPolarHBondContact OD2-CB 3.36Å; D124-S127 PolarHBondContact OD2-N 3.36Å; S127-Y129 PolarHBondContact O-N 3.37Å; S127-T130 WeakPolarHBondContact O-CB 3.5Å; S127-T130 PolarHBondContact O-N 2.93Å; S127-Q131 WeakPolarHBondContact O-CG 3.07Å; S127-Q131 PolarHBondContact O-N 3.42Å
128	R	87	Confident	86.6	Confident	68 Å²	68	35.3 Å²	35.3	26%	0.257	18%	0.179	S	C	.	.	H	α-helix	trans	-62.3	-44	175.9	-169.6	-177.3	-178.7	108.2	2.7	111.5	N122 D124 T130 Q131 Q132 E262	N122-R128 PolarHBondContact ND2-N 3.39Å; D124-R128 VanDerWaalsContact O-CB 3.28Å; D124-R128 WeakPolarHBondContact O-CB 3.42Å; D124-R128 PolarHBondContact O-N 3.43Å; R128-T130 VanDerWaalsContact C-N 3.34Å; R128-T130 PolarHBondContact O-N 2.81Å; R128-Q131 PolarHBondContact O-N 2.66Å; R128-Q132 WeakPolarHBondContact O-CB 2.87Å; R128-Q132 PolarHBondContact O-N 2.93Å; R128-E262 IonicContact CZ-OE2 2.86Å; R128-E262 VanDerWaalsContact CZ-OE2 3.24Å; R128-E262 IonicContact NE-OE2 2.72Å; R128-E262 PolarHBondContact NE-OE2 3.4Å; R128-E262 IonicContact NH2-OE2 3.64Å; R128-E262 PolarHBondContact NH2-OE2 3.38Å
129	Y	90.7	Very high	86.4	Confident	3 Å²	3	39.6 Å²	39.6	1%	0.012	19%	0.194	C	C	.	.	H	α-helix	trans	-64.4	-39	175	-174.6	-121	0	0	0	112.1	P125 V126 S127 Q131 Q132 L133 F230 F232 F255 C259 P261 V268	P125-Y129 WeakPolarHBondContact O-CB 3.16Å; P125-Y129 PolarHBondContact O-N 3.36Å; V126-Y129 PolarHBondContact O-N 2.99Å; S127-Y129 PolarHBondContact O-N 3.37Å; Y129-Q131 VanDerWaalsContact C-N 3.35Å; Y129-Q131 PolarHBondContact O-N 3.19Å; Y129-Q132 WeakPolarHBondContact O-CB 3.14Å; Y129-Q132 PolarHBondContact O-N 3.47Å; Y129-L133 HydrophobicContact CD1-CD1 4.11Å; Y129-L133 HydrophobicContact CD1-CG 4.4Å; Y129-L133 HydrophobicContact CE1-CD1 3.67Å; Y129-L133 HydrophobicContact CE1-CD2 4.49Å; Y129-L133 HydrophobicContact CE1-CG 4.06Å; Y129-L133 HydrophobicContact CE2-CD2 4.22Å; Y129-L133 HydrophobicContact CE2-CG 4.21Å; Y129-L133 WeakPolarHBondContact O-CG 3.25Å; Y129-L133 PolarHBondContact O-N 2.79Å; Y129-F230 AromaticContact CD1-CD1 3.89Å; Y129-F230 HydrophobicContact CD1-CD1 3.89Å; Y129-F230 AromaticContact CD1-CE1 3.6Å; Y129-F230 HydrophobicContact CD1-CE1 3.6Å; Y129-F230 HydrophobicContact CD1-CZ 4.43Å; Y129-F230 HydrophobicContact CE1-CD1 4.18Å; Y129-F230 HydrophobicContact CE1-CE1 4.26Å; Y129-F232 HydrophobicContact CE1-CE1 4.42Å; Y129-F232 HydrophobicContact CE1-CZ 4.27Å; Y129-F255 HydrophobicContact CE1-CE1 4.05Å; Y129-F255 AromaticContact CZ-CE1 3.89Å; Y129-F255 WeakPolarHBondContact OH-CD1 3.28Å; Y129-C259 HydrophobicContact CE2-CB 4.42Å; Y129-C259 VanDerWaalsContact CE2-O 3.29Å; Y129-C259 WeakPolarHBondContact CE2-O 3.45Å; Y129-C259 PolarHBondContact OH-O 3.24Å; Y129-P261 HydrophobicContact CD2-CB 3.74Å; Y129-P261 HydrophobicContact CD2-CG 3.72Å; Y129-P261 HydrophobicContact CE2-CB 4.13Å; Y129-P261 HydrophobicContact CE2-CG 3.65Å; Y129-P261 HydrophobicContact CG-CB 4.24Å; Y129-P261 HydrophobicContact CG-CG 4.2Å; Y129-V268 HydrophobicContact CD1-CG1 3.36Å; Y129-V268 HydrophobicContact CE1-CG1 3.94Å; Y129-V268 HydrophobicContact CG-CG1 3.83Å
130	T	89.4	Confident	85.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59	-45.3	173.7	-58.7	0	0	0	0	111.4	V126 S127 R128 L133 R134 K229	V126-T130 WeakPolarHBondContact O-CB 3.45Å; V126-T130 PolarHBondContact O-N 3.42Å; V126-T130 PolarHBondContact O-OG1 2.84Å; S127-T130 WeakPolarHBondContact O-CB 3.5Å; S127-T130 PolarHBondContact O-N 2.93Å; R128-T130 VanDerWaalsContact C-N 3.34Å; R128-T130 PolarHBondContact O-N 2.81Å; T130-L133 PolarHBondContact O-N 3.24Å; T130-R134 WeakPolarHBondContact O-CG 3.41Å; T130-R134 PolarHBondContact O-N 2.84Å; T130-K229 VanDerWaalsContact CG2-O 3.27Å; T130-K229 WeakPolarHBondContact CG2-O 3.46Å; T130-K229 PolarHBondContact OG1-O 3.46Å
131	Q	88.1	Confident	85.8	Confident	78 Å²	78	37.7 Å²	37.7	36%	0.364	18%	0.18	S	C	.	.	H	α-helix	trans	-63.9	-41.9	175.8	-72.6	176	-18.1	0	0	112	N122 S127 R128 Y129 R134 H135	N122-Q131 VanDerWaalsContact ND2-CD 3.33Å; N122-Q131 PolarHBondContact ND2-NE2 3.2Å; N122-Q131 PolarHBondContact ND2-OE1 3.27Å; S127-Q131 WeakPolarHBondContact O-CG 3.07Å; S127-Q131 PolarHBondContact O-N 3.42Å; R128-Q131 PolarHBondContact O-N 2.66Å; Y129-Q131 VanDerWaalsContact C-N 3.35Å; Y129-Q131 PolarHBondContact O-N 3.19Å; Q131-R134 PolarHBondContact O-N 2.88Å; Q131-H135 WeakPolarHBondContact O-CB 3.31Å; Q131-H135 PolarHBondContact O-N 2.92Å
132	Q	89.2	Confident	85.6	Confident	39 Å²	39	41.5 Å²	41.5	18%	0.182	19%	0.194	C	C	.	.	H	α-helix	trans	-59.5	-46.9	175.5	-174	-174.2	-5.1	0	0	111.2	R128 Y129 H135 H136 C259 Y260	R128-Q132 WeakPolarHBondContact O-CB 2.87Å; R128-Q132 PolarHBondContact O-N 2.93Å; Y129-Q132 WeakPolarHBondContact O-CB 3.14Å; Y129-Q132 PolarHBondContact O-N 3.47Å; Q132-H135 PolarHBondContact O-N 3Å; Q132-H136 WeakPolarHBondContact O-CB 3.44Å; Q132-H136 PolarHBondContact O-N 2.82Å; Q132-C259 PolarHBondContact NE2-SG 3.31Å; Q132-Y260 PolarHBondContact NE2-O 3.27Å; Q132-Y260 PolarHBondContact OE1-O 3.02Å
133	L	90.9	Very high	85.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.7	-45	175.4	-73.5	-175.3	0	0	0	112.1	Y129 T130 H135 H136 L137 W219 F230 Y258 C259	Y129-L133 HydrophobicContact CD1-CD1 4.11Å; Y129-L133 HydrophobicContact CD1-CG 4.4Å; Y129-L133 HydrophobicContact CE1-CD1 3.67Å; Y129-L133 HydrophobicContact CE1-CD2 4.49Å; Y129-L133 HydrophobicContact CE1-CG 4.06Å; Y129-L133 HydrophobicContact CE2-CD2 4.22Å; Y129-L133 HydrophobicContact CE2-CG 4.21Å; Y129-L133 WeakPolarHBondContact O-CG 3.25Å; Y129-L133 PolarHBondContact O-N 2.79Å; T130-L133 PolarHBondContact O-N 3.24Å; L133-H135 VanDerWaalsContact C-N 3.32Å; L133-H135 PolarHBondContact O-N 3.44Å; L133-H136 PolarHBondContact O-N 2.94Å; L133-L137 WeakPolarHBondContact O-CB 3.19Å; L133-L137 PolarHBondContact O-N 3.01Å; L133-W219 HydrophobicContact CB-CH2 3.74Å; L133-W219 HydrophobicContact CB-CZ3 4.19Å; L133-F230 HydrophobicContact CD1-CB 4.27Å; L133-F230 HydrophobicContact CD1-CD1 4Å; L133-Y258 HydrophobicContact CD2-CD1 4.16Å; L133-Y258 HydrophobicContact CD2-CE1 3.55Å; L133-C259 HydrophobicContact CD2-CB 3.62Å
134	R	90	Very high	84.5	Confident	53 Å²	53	44.3 Å²	44.3	20%	0.2	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-40.5	176	-75.9	-164.5	-170.2	127.9	10.1	112.2	D95 T130 Q131 G138 W219	D95-R134 IonicContact OD1-CZ 2.73Å; D95-R134 IonicContact OD1-NH1 3.42Å; D95-R134 PolarHBondContact OD1-NH1 3.17Å; D95-R134 IonicContact OD1-NH2 2.62Å; D95-R134 PolarHBondContact OD1-NH2 3.14Å; D95-R134 IonicContact OD2-CZ 3.28Å; D95-R134 IonicContact OD2-NH1 2.68Å; D95-R134 PolarHBondContact OD2-NH1 2.98Å; T130-R134 WeakPolarHBondContact O-CG 3.41Å; T130-R134 PolarHBondContact O-N 2.84Å; Q131-R134 PolarHBondContact O-N 2.88Å; R134-G138 VanDerWaalsContact O-CA 3.3Å; R134-G138 WeakPolarHBondContact O-CA 3.43Å; R134-G138 PolarHBondContact O-N 3.27Å; R134-W219 HydrophobicContact CB-CH2 4.38Å; R134-W219 HydrophobicContact CB-CZ3 4.19Å; R134-W219 HydrophobicContact CG-CE3 4.07Å; R134-W219 HydrophobicContact CG-CH2 3.48Å; R134-W219 VanDerWaalsContact CG-CH2 3.48Å; R134-W219 HydrophobicContact CG-CZ2 3.96Å; R134-W219 HydrophobicContact CG-CZ3 3.53Å
135	H	88.1	Confident	83.3	Confident	139 Å²	139	46.6 Å²	46.6	64%	0.644	22%	0.216	S	C	*	.	H	α-helix	trans	-64.6	-47	176.8	-176.3	75.3	0	0	0	111.4	Q131 Q132 L133 R139	Q131-H135 WeakPolarHBondContact O-CB 3.31Å; Q131-H135 PolarHBondContact O-N 2.92Å; Q132-H135 PolarHBondContact O-N 3Å; L133-H135 VanDerWaalsContact C-N 3.32Å; L133-H135 PolarHBondContact O-N 3.44Å; H135-R139 WeakPolarHBondContact O-CB 3.39Å; H135-R139 PolarHBondContact O-N 3.29Å
136	H	84.3	Confident	81.9	Confident	53 Å²	53	46.1 Å²	46.1	25%	0.245	21%	0.213	C	C	.	.	H	α-helix	trans	-63	-54.1	179.7	-171.6	65.8	0	0	0	111.9	Q132 L133 G138 R139 D140	Q132-H136 WeakPolarHBondContact O-CB 3.44Å; Q132-H136 PolarHBondContact O-N 2.82Å; L133-H136 PolarHBondContact O-N 2.94Å; H136-G138 VanDerWaalsContact C-N 3.34Å; H136-G138 PolarHBondContact O-N 2.96Å; H136-R139 PolarHBondContact O-N 2.87Å; H136-D140 IonicContact CE1-OD2 3.99Å; H136-D140 PolarHBondContact CE1-OD2 3.45Å; H136-D140 IonicContact NE2-OD2 3.43Å; H136-D140 PolarHBondContact NE2-OD2 2.57Å; H136-D140 WeakPolarHBondContact O-CB 3.43Å; H136-D140 PolarHBondContact O-N 3.14Å
137	L	85.5	Confident	80.4	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-37	177.5	-80.5	171.2	0	0	0	112.5	L133 R139 D140 S141 Q216 W219 F231 H233 Y258	L133-L137 WeakPolarHBondContact O-CB 3.19Å; L133-L137 PolarHBondContact O-N 3.01Å; L137-R139 VanDerWaalsContact C-N 3.32Å; L137-R139 PolarHBondContact O-N 2.93Å; L137-D140 PolarHBondContact O-N 3Å; L137-S141 WeakPolarHBondContact O-CB 3.43Å; L137-S141 PolarHBondContact O-N 3.28Å; L137-S141 PolarHBondContact O-OG 2.86Å; L137-Q216 HydrophobicContact CD2-CB 4.23Å; L137-Q216 HydrophobicContact CD2-CG 3.95Å; L137-W219 HydrophobicContact CB-CZ3 4.39Å; L137-W219 HydrophobicContact CD1-CE3 3.73Å; L137-W219 HydrophobicContact CD1-CZ3 3.5Å; L137-F231 HydrophobicContact CD1-CB 3.64Å; L137-F231 HydrophobicContact CD1-CD1 3.7Å; L137-F231 HydrophobicContact CD1-CG 3.83Å; L137-F231 WeakPolarHBondContact CD1-O 3.37Å; L137-H233 HydrophobicContact CD2-CB 4.35Å; L137-Y258 VanDerWaalsContact CD1-OH 3.26Å; L137-Y258 WeakPolarHBondContact CD1-OH 3.37Å; L137-Y258 VanDerWaalsContact CD2-OH 3.28Å; L137-Y258 WeakPolarHBondContact CD2-OH 3.07Å; L137-Y258 VanDerWaalsContact CG-OH 3.28Å; L137-Y258 WeakPolarHBondContact CG-OH 3.25Å
138	G	84.9	Confident	78.5	Confident	24 Å²	24	49.6 Å²	49.6	25%	0.247	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-41	176.9	0	0	0	0	0	111.9	R134 H136 K142 A220	R134-G138 VanDerWaalsContact O-CA 3.3Å; R134-G138 WeakPolarHBondContact O-CA 3.43Å; R134-G138 PolarHBondContact O-N 3.27Å; H136-G138 VanDerWaalsContact C-N 3.34Å; H136-G138 PolarHBondContact O-N 2.96Å; G138-K142 WeakPolarHBondContact O-CB 3.28Å; G138-K142 PolarHBondContact O-N 2.96Å; G138-A220 VanDerWaalsContact CA-CB 3.45Å
139	R	81.7	Confident	76.8	Confident	145 Å²	145	48.9 Å²	48.9	55%	0.547	23%	0.229	S	C	.	.	H	α-helix	trans	-66.3	-48.9	174	-173.4	-173	68.5	-172.5	0.7	111.7	H135 H136 L137 K142	H135-R139 WeakPolarHBondContact O-CB 3.39Å; H135-R139 PolarHBondContact O-N 3.29Å; H136-R139 PolarHBondContact O-N 2.87Å; L137-R139 VanDerWaalsContact C-N 3.32Å; L137-R139 PolarHBondContact O-N 2.93Å; R139-K142 PolarHBondContact O-N 3.25Å
140	D	75	Confident	75	Confident	77 Å²	77	53.7 Å²	53.7	41%	0.412	25%	0.25	S	S	.	.	H	α-helix	trans	-75.9	-27.6	-171.2	-69.3	9.7	0	0	0	112.6	H136 L137	H136-D140 IonicContact CE1-OD2 3.99Å; H136-D140 PolarHBondContact CE1-OD2 3.45Å; H136-D140 IonicContact NE2-OD2 3.43Å; H136-D140 PolarHBondContact NE2-OD2 2.57Å; H136-D140 WeakPolarHBondContact O-CB 3.43Å; H136-D140 PolarHBondContact O-N 3.14Å; L137-D140 PolarHBondContact O-N 3Å
141	S	83.6	Confident	73.6	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.007	27%	0.269	C	S	.	.	H	α-helix	trans	-85	-17.3	177.1	65.1	0	0	0	0	113.9	L137 F143 L155 Q213 S217	L137-S141 WeakPolarHBondContact O-CB 3.43Å; L137-S141 PolarHBondContact O-N 3.28Å; L137-S141 PolarHBondContact O-OG 2.86Å; S141-F143 VanDerWaalsContact C-N 3.31Å; S141-F143 PolarHBondContact O-N 3.3Å; S141-L155 WeakPolarHBondContact O-CD2 3.48Å; S141-Q213 PolarHBondContact O-NE2 2.97Å; S141-S217 WeakPolarHBondContact OG-CA 3.1Å; S141-S217 PolarHBondContact OG-N 3.47Å
142	K	80.5	Confident	72.6	Confident	114 Å²	114	59.9 Å²	59.9	50%	0.496	28%	0.279	S	S	.	.	H	α-helix	trans	-64.6	-33.8	-174.5	-170.9	170.9	-175.5	178.9	0	113.3	G138 R139 L154 L155	G138-K142 WeakPolarHBondContact O-CB 3.28Å; G138-K142 PolarHBondContact O-N 2.96Å; R139-K142 PolarHBondContact O-N 3.25Å; K142-L154 HydrophobicContact CD-CD2 4.4Å; K142-L154 HydrophobicContact CG-CD2 3.81Å; K142-L155 PolarHBondContact O-N 3.16Å
143	F	76.6	Confident	71.9	Confident	87 Å²	87	60.1 Å²	60.1	38%	0.382	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.5	-175.2	-61.2	-80.9	0	0	0	111.7	S141 E152 L153 L154 Q213	S141-F143 VanDerWaalsContact C-N 3.31Å; S141-F143 PolarHBondContact O-N 3.3Å; F143-E152 HydrophobicContact CB-CB 4.42Å; F143-E152 HydrophobicContact CD1-CB 4.47Å; F143-L153 CarbonylContact C-O 3.55Å; F143-L153 WeakPolarHBondContact CA-O 3.44Å; F143-L154 HydrophobicContact CD1-CD2 3.94Å; F143-L154 HydrophobicContact CD1-CG 4.44Å; F143-L154 HydrophobicContact CE1-CD2 3.46Å; F143-L154 VanDerWaalsContact CE1-CD2 3.46Å; F143-L154 HydrophobicContact CE1-CG 4.09Å; F143-L154 HydrophobicContact CZ-CD2 3.97Å; F143-Q213 PolarHBondContact O-NE2 3.01Å
144	V	66.5	Low	71.4	Confident	14 Å²	14	62.7 Å²	62.7	9%	0.085	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.2	169.1	177.8	0	0	0	0	107.5	C146 L153 L155 M210	V144-C146 PolarHBondContact O-N 3.37Å; V144-L153 PolarHBondContact N-O 2.85Å; V144-L153 PolarHBondContact O-N 3.04Å; V144-L155 HydrophobicContact CG2-CB 3.97Å; V144-L155 HydrophobicContact CG2-CD1 3.35Å; V144-L155 HydrophobicContact CG2-CG 4.25Å; V144-M210 HydrophobicContact CB-SD 4.47Å; V144-M210 HydrophobicContact CG1-CE 3.83Å; V144-M210 HydrophobicContact CG1-SD 3.71Å; V144-M210 HydrophobicContact CG2-CE 3.9Å; V144-M210 HydrophobicContact CG2-SD 3.87Å
145	L	59.8	Low	71.1	Confident	61 Å²	61	60.2 Å²	60.2	32%	0.319	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	122	163.9	-87.5	126.8	0	0	0	108.5	E152	L145-E152 HydrophobicContact CG-CG 4.24Å
146	C	56.1	Low	70.8	Confident	6 Å²	6	58.7 Å²	58.7	4%	0.041	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-47	143.7	168.3	168.3	0	0	0	0	110.4	V144 A148 Q149 E151 L153 W395	V144-C146 PolarHBondContact O-N 3.37Å; C146-A148 PolarHBondContact O-N 2.73Å; C146-A148 VanDerWaalsContact O-N 3.15Å; C146-Q149 VanDerWaalsContact O-CA 3.26Å; C146-Q149 WeakPolarHBondContact O-CA 3.48Å; C146-Q149 PolarHBondContact O-N 2.78Å; C146-E151 HydrophobicContact CB-CB 4.32Å; C146-E151 WeakPolarHBondContact CB-O 3.49Å; C146-E151 PolarHBondContact N-O 3.38Å; C146-L153 HydrophobicContact CB-CD1 4.35Å; C146-W395 HydrophobicContact CB-CZ2 4.46Å; C146-W395 WeakPolarHBondContact SG-CH2 3.48Å; C146-W395 WeakPolarHBondContact SG-CZ2 3.46Å
147	Y	53.8	Low	70.5	Confident	60 Å²	60	61.2 Å²	61.2	24%	0.235	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.1	-178.7	-71.1	-75.6	0	0	0	113.5	Q149 L392 W395 V431	Y147-Q149 PolarHBondContact O-N 3.4Å; Y147-L392 HydrophobicContact CD1-CD1 3.56Å; Y147-L392 HydrophobicContact CD2-CD1 3.67Å; Y147-L392 HydrophobicContact CE1-CD1 3.59Å; Y147-L392 HydrophobicContact CE2-CD1 3.7Å; Y147-L392 HydrophobicContact CG-CD1 3.59Å; Y147-W395 AromaticContact CD2-CD2 3.63Å; Y147-W395 HydrophobicContact CD2-CD2 3.63Å; Y147-W395 AromaticContact CD2-CE3 3.54Å; Y147-W395 HydrophobicContact CD2-CE3 3.54Å; Y147-W395 HydrophobicContact CD2-CG 4.06Å; Y147-W395 HydrophobicContact CD2-CZ3 4.11Å; Y147-W395 HydrophobicContact CE2-CD2 4.37Å; Y147-W395 HydrophobicContact CE2-CE3 4.49Å; Y147-W395 HydrophobicContact CE2-CG 4.34Å; Y147-W395 HydrophobicContact CG-CE3 4.15Å; Y147-W395 HydrophobicContact CG-CZ3 4.32Å; Y147-V431 HydrophobicContact CG-CG1 4.34Å
148	A	47.2	Very low	70.2	Confident	16 Å²	16	62.3 Å²	62.3	13%	0.132	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-1.2	170.9	0	0	0	0	0	113.5	C146 K150 W395	C146-A148 PolarHBondContact O-N 2.73Å; C146-A148 VanDerWaalsContact O-N 3.15Å; A148-K150 PolarHBondContact O-N 3.26Å; A148-K150 VanDerWaalsContact O-N 3.16Å; A148-W395 HydrophobicContact CB-CH2 4.19Å
149	Q	50.8	Low	70.2	Confident	53 Å²	53	62 Å²	62	25%	0.248	29%	0.288	C	S	.	.	S	Bend	trans	56.6	22.8	179.7	-60.7	179.4	0	0	0	115.2	C146 Y147 N434	C146-Q149 VanDerWaalsContact O-CA 3.26Å; C146-Q149 WeakPolarHBondContact O-CA 3.48Å; C146-Q149 PolarHBondContact O-N 2.78Å; Y147-Q149 PolarHBondContact O-N 3.4Å; Q149-N434 PolarHBondContact NE2-O 2.91Å
150	K	53.8	Low	70.5	Confident	103 Å²	103	56.8 Å²	56.8	45%	0.448	27%	0.27	S	S	.	.	S	Bend	trans	-96	-23.6	-178.6	-70.4	176.5	-173.9	169.7	0	114.5	A148 E430	A148-K150 PolarHBondContact O-N 3.26Å; A148-K150 VanDerWaalsContact O-N 3.16Å; K150-E430 IonicContact NZ-OE1 3.09Å
151	E	59.9	Low	71.1	Confident	84 Å²	84	56.8 Å²	56.8	39%	0.393	27%	0.27	S	S	.	.			trans	-142	140.3	-170.2	-70.6	167.8	-169.9	0	0	110	C146 R399	C146-E151 HydrophobicContact CB-CB 4.32Å; C146-E151 WeakPolarHBondContact CB-O 3.49Å; C146-E151 PolarHBondContact N-O 3.38Å; E151-R399 IonicContact OE1-NH2 3.4Å; E151-R399 PolarHBondContact OE1-NH2 2.96Å; E151-R399 IonicContact OE2-CZ 2.86Å; E151-R399 IonicContact OE2-NH1 3.21Å; E151-R399 IonicContact OE2-NH2 2.76Å; E151-R399 PolarHBondContact OE2-NH2 3.08Å
152	E	67.3	Low	71.3	Confident	124 Å²	124	57.4 Å²	57.4	58%	0.579	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	131.7	167.6	-71.9	-175.7	173.4	0	0	108.9	F143 L145	F143-E152 HydrophobicContact CB-CB 4.42Å; F143-E152 HydrophobicContact CD1-CB 4.47Å; L145-E152 HydrophobicContact CG-CG 4.24Å
153	L	73	Confident	71.8	Confident	45 Å²	45	54.9 Å²	54.9	24%	0.236	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	148	-176.8	-64.4	161.8	0	0	0	109.3	F143 V144 C146 L155 I158	F143-L153 CarbonylContact C-O 3.55Å; F143-L153 WeakPolarHBondContact CA-O 3.44Å; V144-L153 PolarHBondContact N-O 2.85Å; V144-L153 PolarHBondContact O-N 3.04Å; C146-L153 HydrophobicContact CB-CD1 4.35Å; L153-L155 PolarHBondContact O-N 2.81Å; L153-I158 HydrophobicContact CB-CD1 3.16Å; L153-I158 HydrophobicContact CB-CG1 4.21Å; L153-I158 HydrophobicContact CD1-CD1 3.24Å; L153-I158 HydrophobicContact CD2-CD1 4.45Å; L153-I158 HydrophobicContact CG-CD1 3.7Å
154	L	81.5	Confident	72.6	Confident	53 Å²	53	51.1 Å²	51.1	28%	0.277	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	131.2	178.6	-72.8	167.6	0	0	0	109.8	K142 F143 E156 E157 I158	K142-L154 HydrophobicContact CD-CD2 4.4Å; K142-L154 HydrophobicContact CG-CD2 3.81Å; F143-L154 HydrophobicContact CD1-CD2 3.94Å; F143-L154 HydrophobicContact CD1-CG 4.44Å; F143-L154 HydrophobicContact CE1-CD2 3.46Å; F143-L154 VanDerWaalsContact CE1-CD2 3.46Å; F143-L154 HydrophobicContact CE1-CG 4.09Å; F143-L154 HydrophobicContact CZ-CD2 3.97Å; L154-E156 PolarHBondContact O-N 3.31Å; L154-E157 HydrophobicContact CB-CB 4.08Å; L154-E157 HydrophobicContact CB-CG 3.78Å; L154-E157 HydrophobicContact CD1-CG 4.23Å; L154-E157 WeakPolarHBondContact CD1-OE1 3.42Å; L154-E157 WeakPolarHBondContact O-CB 3.44Å; L154-E157 PolarHBondContact O-N 3.45Å; L154-I158 PolarHBondContact O-N 2.89Å
155	L	83.7	Confident	73.8	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-55.8	-41.1	175.4	-180	70.2	0	0	0	110.5	S141 K142 V144 L153 E157 I158 Y159 Q213 R214	S141-L155 WeakPolarHBondContact O-CD2 3.48Å; K142-L155 PolarHBondContact O-N 3.16Å; V144-L155 HydrophobicContact CG2-CB 3.97Å; V144-L155 HydrophobicContact CG2-CD1 3.35Å; V144-L155 HydrophobicContact CG2-CG 4.25Å; L153-L155 PolarHBondContact O-N 2.81Å; L155-E157 PolarHBondContact O-N 2.79Å; L155-I158 PolarHBondContact O-N 2.96Å; L155-Y159 HydrophobicContact CD1-CD2 4.31Å; L155-Y159 HydrophobicContact CD1-CG 4.41Å; L155-Y159 WeakPolarHBondContact O-CB 3.28Å; L155-Y159 PolarHBondContact O-N 3.5Å; L155-Q213 HydrophobicContact CD2-CG 4.08Å; L155-R214 HydrophobicContact CD2-CB 4.43Å
156	E	81.2	Confident	75.4	Confident	106 Å²	106	49.7 Å²	49.7	50%	0.495	24%	0.24	S	C	.	.	H	α-helix	trans	-67.1	-10.2	176.8	-63.3	-163.2	142.1	0	0	114.3	L154 R214 R223 R363	L154-E156 PolarHBondContact O-N 3.31Å; E156-R214 IonicContact OE1-NH1 3.49Å; E156-R223 IonicContact OE1-NH1 3.98Å; E156-R363 VanDerWaalsContact O-CZ 3.29Å; E156-R363 PolarHBondContact O-NH2 3.29Å
157	E	78.9	Confident	77.1	Confident	107 Å²	107	49.4 Å²	49.4	50%	0.5	24%	0.238	S	C	.	.	H	α-helix	trans	-99.2	-16.7	174.5	-69.5	179.4	166.8	0	0	112.7	L154 L155 R363	L154-E157 HydrophobicContact CB-CB 4.08Å; L154-E157 HydrophobicContact CB-CG 3.78Å; L154-E157 HydrophobicContact CD1-CG 4.23Å; L154-E157 WeakPolarHBondContact CD1-OE1 3.42Å; L154-E157 WeakPolarHBondContact O-CB 3.44Å; L154-E157 PolarHBondContact O-N 3.45Å; L155-E157 PolarHBondContact O-N 2.79Å; E157-R363 WeakPolarHBondContact O-CD 3.21Å; E157-R363 WeakPolarHBondContact O-CG 3.16Å; E157-R363 PolarHBondContact O-NE 3.04Å
158	I	78.5	Confident	78.8	Confident	26 Å²	26	46.6 Å²	46.6	13%	0.133	23%	0.227	C	C	.	.	H	α-helix	trans	-119.5	-36	-175.2	-63.6	179.4	0	0	0	113.7	L153 L154 L155 M160 Y360 R363	L153-I158 HydrophobicContact CB-CD1 3.16Å; L153-I158 HydrophobicContact CB-CG1 4.21Å; L153-I158 HydrophobicContact CD1-CD1 3.24Å; L153-I158 HydrophobicContact CD2-CD1 4.45Å; L153-I158 HydrophobicContact CG-CD1 3.7Å; L154-I158 PolarHBondContact O-N 2.89Å; L155-I158 PolarHBondContact O-N 2.96Å; I158-M160 PolarHBondContact O-N 3.46Å; I158-Y360 HydrophobicContact CG2-CE2 4.36Å; I158-Y360 WeakPolarHBondContact O-CE2 3.46Å; I158-R363 VanDerWaalsContact N-NH2 3.12Å
159	Y	86.1	Confident	80.7	Confident	19 Å²	19	48.9 Å²	48.9	8%	0.075	23%	0.234	C	C	.	.			trans	-58.2	121.5	-173	174.9	-91	0	0	0	111.6	L155 D161 M210 R214 R363	L155-Y159 HydrophobicContact CD1-CD2 4.31Å; L155-Y159 HydrophobicContact CD1-CG 4.41Å; L155-Y159 WeakPolarHBondContact O-CB 3.28Å; L155-Y159 PolarHBondContact O-N 3.5Å; Y159-D161 WeakPolarHBondContact CE1-OD1 3.47Å; Y159-D161 VanDerWaalsContact CZ-OD1 3.3Å; Y159-D161 PolarHBondContact OH-OD1 3.36Å; Y159-M210 HydrophobicContact CD2-CB 4.27Å; Y159-R214 HydrophobicContact CD1-CB 4.43Å; Y159-R214 HydrophobicContact CD1-CG 3.91Å; Y159-R214 HydrophobicContact CD2-CB 3.8Å; Y159-R214 HydrophobicContact CD2-CG 4.2Å; Y159-R214 HydrophobicContact CE1-CB 4.22Å; Y159-R214 HydrophobicContact CE1-CG 3.63Å; Y159-R214 HydrophobicContact CE2-CB 3.54Å; Y159-R214 HydrophobicContact CE2-CG 3.91Å; Y159-R214 HydrophobicContact CG-CB 4.25Å; Y159-R214 HydrophobicContact CG-CG 4.21Å; Y159-R363 VanDerWaalsContact N-NH2 3.2Å; Y159-R363 PolarHBondContact O-NH1 3.4Å; Y159-R363 PolarHBondContact O-NH2 3.49Å
160	M	86.1	Confident	82.2	Confident	34 Å²	34	50.8 Å²	50.8	17%	0.167	25%	0.254	C	S	.	.			trans	-119.2	137.4	172.7	-171	61.3	61.6	0	0	108.6	I158 F352 A359 Y360	I158-M160 PolarHBondContact O-N 3.46Å; M160-F352 HydrophobicContact CB-CE1 3.78Å; M160-F352 HydrophobicContact CB-CZ 3.76Å; M160-F352 HydrophobicContact CG-CE1 3.79Å; M160-F352 HydrophobicContact CG-CZ 4.05Å; M160-A359 HydrophobicContact CE-CB 3.85Å; M160-A359 HydrophobicContact SD-CB 3.98Å; M160-Y360 HydrophobicContact CB-CD2 4.02Å; M160-Y360 HydrophobicContact CE-CD2 4.38Å
161	D	88.2	Confident	83.6	Confident	77 Å²	77	50 Å²	50	41%	0.412	25%	0.254	S	S	.	.			trans	-61.8	147.5	174.3	-69.4	-49.9	0	0	0	110.7	Y159 H356	Y159-D161 WeakPolarHBondContact CE1-OD1 3.47Å; Y159-D161 VanDerWaalsContact CZ-OD1 3.3Å; Y159-D161 PolarHBondContact OH-OD1 3.36Å; D161-H356 PolarHBondContact O-CD2 3.29Å
162	T	88.7	Confident	85	Confident	14 Å²	14	50 Å²	50	9%	0.086	25%	0.254	C	S	.	.			trans	-115.3	157.8	177.7	59.3	0	0	0	0	108.8	M164 G351 F352 P391	T162-M164 PolarHBondContact O-N 3.35Å; T162-G351 WeakPolarHBondContact CA-O 3.49Å; T162-F352 HydrophobicContact CG2-CD1 4.15Å; T162-F352 HydrophobicContact CG2-CE1 3.96Å; T162-P391 HydrophobicContact CG2-CG 3.81Å
163	I	90.3	Very high	86	Confident	62 Å²	62	47.5 Å²	47.5	32%	0.318	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	114.7	174.1	-56.7	167.8	0	0	0	107.9	R350 G351	I163-R350 HydrophobicContact CB-CB 4.12Å; I163-R350 HydrophobicContact CG2-CB 4.29Å; I163-R350 HydrophobicContact CG2-CG 4.48Å; I163-R350 PolarHBondContact O-N 2.97Å; I163-G351 PolarHBondContact N-O 3.19Å
164	M	92.8	Very high	86.7	Confident	7 Å²	7	49.6 Å²	49.6	3%	0.034	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123	171.9	-62.4	-168.3	-72.5	0	0	108.6	T162 S176 L177 L180 L211 V347 L349	T162-M164 PolarHBondContact O-N 3.35Å; M164-S176 CarbonylContact O-C 3.56Å; M164-S176 WeakPolarHBondContact O-CA 3.5Å; M164-L177 HydrophobicContact CB-CB 3.83Å; M164-L177 HydrophobicContact CB-CD1 4.46Å; M164-L177 HydrophobicContact CE-CB 4.17Å; M164-L177 PolarHBondContact O-N 3.21Å; M164-L180 HydrophobicContact CE-CD2 4.06Å; M164-L180 HydrophobicContact SD-CD2 4.18Å; M164-L211 HydrophobicContact SD-CD1 4.05Å; M164-L211 HydrophobicContact SD-CD2 4.42Å; M164-V347 HydrophobicContact CB-CG1 4.1Å; M164-L349 HydrophobicContact CB-CD2 4.31Å; M164-L349 HydrophobicContact CG-CD2 3.52Å; M164-L349 HydrophobicContact SD-CD2 4.32Å
165	E	92.3	Very high	87.1	Confident	30 Å²	30	48.7 Å²	48.7	14%	0.14	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127.6	179.6	-173.7	178.8	-166.2	0	0	109.6	V167 S173 V347 L348 R350	E165-V167 HydrophobicContact CG-CG1 4.24Å; E165-S173 WeakPolarHBondContact OE1-CB 3.33Å; E165-S173 PolarHBondContact OE1-OG 3.27Å; E165-V347 CarbonylContact O-C 3.59Å; E165-V347 WeakPolarHBondContact O-CA 3.49Å; E165-L348 PolarHBondContact N-O 3Å; E165-L348 PolarHBondContact O-N 3.09Å; E165-R350 IonicContact OE1-NH2 3.88Å; E165-R350 IonicContact OE2-CZ 2.72Å; E165-R350 IonicContact OE2-NE 4Å; E165-R350 PolarHBondContact OE2-NE 2.88Å; E165-R350 IonicContact OE2-NH2 2.87Å; E165-R350 PolarHBondContact OE2-NH2 3.42Å
166	L	92.8	Very high	87.3	Confident	15 Å²	15	52.4 Å²	52.4	8%	0.079	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	132.2	168.6	-76.1	161.8	0	0	0	108.5	L174 G175 L177 V347	L166-L174 HydrophobicContact CB-CB 3.88Å; L166-L174 PolarHBondContact O-N 2.78Å; L166-G175 PolarHBondContact N-O 3.47Å; L166-L177 HydrophobicContact CD1-CD1 4.25Å; L166-L177 HydrophobicContact CD1-CD2 4.14Å; L166-L177 HydrophobicContact CD1-CG 3.94Å; L166-L177 HydrophobicContact CD2-CD1 3.78Å; L166-L177 HydrophobicContact CD2-CG 4.4Å; L166-L177 HydrophobicContact CG-CD1 3.63Å; L166-L177 HydrophobicContact CG-CD2 4.43Å; L166-L177 HydrophobicContact CG-CG 3.81Å; L166-V347 HydrophobicContact CD2-CG2 4.1Å
167	V	91.8	Very high	87.5	Confident	1 Å²	1	48 Å²	48	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.1	179.5	-65.3	0	0	0	0	111.1	E165 E172 K346 L348	E165-V167 HydrophobicContact CG-CG1 4.24Å; V167-E172 CarbonylContact C-O 3.35Å; V167-E172 WeakPolarHBondContact CA-O 3.28Å; V167-K346 HydrophobicContact CG2-CB 4.08Å; V167-K346 HydrophobicContact CG2-CD 3.92Å; V167-K346 HydrophobicContact CG2-CG 3.66Å; V167-K346 PolarHBondContact N-O 3.49Å; V167-K346 WeakPolarHBondContact O-CB 3.48Å; V167-L348 HydrophobicContact CG1-CB 3.85Å; V167-L348 HydrophobicContact CG1-CD2 4.33Å; V167-L348 HydrophobicContact CG2-CB 4.21Å
168	G	89.3	Confident	87.6	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.285	C	S	.	.			trans	-80.9	-175.6	175.3	0	0	0	0	0	114	S170 N171 E172 K346	G168-S170 PolarHBondContact O-N 3.05Å; G168-N171 PolarHBondContact O-N 3.48Å; G168-E172 WeakPolarHBondContact CA-OE1 3.43Å; G168-E172 PolarHBondContact N-O 3.17Å; G168-K346 WeakPolarHBondContact O-CD 3.28Å; G168-K346 PolarHBondContact O-NZ 3.26Å
169	F	87.3	Confident	87.8	Confident	64 Å²	64	51 Å²	51	28%	0.281	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-35.7	-180	-70.7	-63.9	0	0	0	111.8	N171 L191 N192 R340 L343 K346	F169-N171 VanDerWaalsContact C-N 3.31Å; F169-N171 PolarHBondContact O-N 3.18Å; F169-L191 HydrophobicContact CD1-CD1 4.43Å; F169-L191 HydrophobicContact CE1-CB 4.39Å; F169-L191 HydrophobicContact CE1-CD1 4.24Å; F169-L191 HydrophobicContact CE2-CB 3.85Å; F169-L191 HydrophobicContact CZ-CB 3.72Å; F169-L191 HydrophobicContact CZ-CD1 4.35Å; F169-N192 HydrophobicContact CZ-CB 4.37Å; F169-R340 HydrophobicContact CD1-CB 4.09Å; F169-R340 HydrophobicContact CD1-CG 3.77Å; F169-R340 HydrophobicContact CE1-CB 3.71Å; F169-R340 HydrophobicContact CE1-CG 3.94Å; F169-R340 HydrophobicContact CG-CG 4.49Å; F169-R340 HydrophobicContact CZ-CB 4.25Å; F169-L343 HydrophobicContact CE1-CB 4.24Å; F169-L343 HydrophobicContact CE1-CD1 4.28Å; F169-K346 PolarHBondContact O-NZ 3.37Å
170	S	82.8	Confident	87.6	Confident	94 Å²	94	50.8 Å²	50.8	66%	0.657	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	13.9	175.1	34.3	0	0	0	0	114.5	G168 E172	G168-S170 PolarHBondContact O-N 3.05Å; S170-E172 WeakPolarHBondContact CA-OE2 3.22Å; S170-E172 WeakPolarHBondContact CB-OE2 3.26Å; S170-E172 PolarHBondContact N-OE2 3.3Å; S170-E172 PolarHBondContact O-N 3.45Å; S170-E172 PolarHBondContact OG-OE1 2.74Å; S170-E172 PolarHBondContact OG-OE2 2.75Å
171	N	83.6	Confident	87.3	Confident	85 Å²	85	52.1 Å²	52.1	46%	0.455	31%	0.311	S	S	.	.			trans	65.1	17.9	-177.8	-57.3	-46.5	0	0	0	115.3	G168 F169 K346	G168-N171 PolarHBondContact O-N 3.48Å; F169-N171 VanDerWaalsContact C-N 3.31Å; F169-N171 PolarHBondContact O-N 3.18Å; N171-K346 WeakPolarHBondContact OD1-CE 3.17Å; N171-K346 PolarHBondContact OD1-NZ 2.85Å
172	E	88.4	Confident	87.1	Confident	84 Å²	84	50.4 Å²	50.4	39%	0.393	30%	0.304	S	S	.	.			trans	-66.8	141.6	169.5	69.5	-78.2	-167.6	0	0	111.1	V167 G168 S170 L174	V167-E172 CarbonylContact C-O 3.35Å; V167-E172 WeakPolarHBondContact CA-O 3.28Å; G168-E172 WeakPolarHBondContact CA-OE1 3.43Å; G168-E172 PolarHBondContact N-O 3.17Å; S170-E172 WeakPolarHBondContact CA-OE2 3.22Å; S170-E172 WeakPolarHBondContact CB-OE2 3.26Å; S170-E172 PolarHBondContact N-OE2 3.3Å; S170-E172 PolarHBondContact O-N 3.45Å; S170-E172 PolarHBondContact OG-OE1 2.74Å; S170-E172 PolarHBondContact OG-OE2 2.75Å; E172-L174 HydrophobicContact CG-CD2 4.35Å
173	S	88.5	Confident	87	Confident	73 Å²	73	49.7 Å²	49.7	51%	0.51	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	129	179.1	-172.3	0	0	0	0	111.3	E165	E165-S173 WeakPolarHBondContact OE1-CB 3.33Å; E165-S173 PolarHBondContact OE1-OG 3.27Å
174	L	88.6	Confident	86.7	Confident	89 Å²	89	47.4 Å²	47.4	47%	0.466	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	3.8	174	-57	177.9	0	0	0	112.4	L166 E172 L191	L166-L174 HydrophobicContact CB-CB 3.88Å; L166-L174 PolarHBondContact O-N 2.78Å; E172-L174 HydrophobicContact CG-CD2 4.35Å; L174-L191 HydrophobicContact CD1-CD2 3.73Å
175	G	88.9	Confident	86.3	Confident	33 Å²	33	49.5 Å²	49.5	34%	0.34	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	113.8	174.1	-179.6	0	0	0	0	0	114.3	L166	L166-G175 PolarHBondContact N-O 3.47Å
176	S	87.5	Confident	85.5	Confident	81 Å²	81	53.3 Å²	53.3	57%	0.566	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	144.2	-176.8	58.1	0	0	0	0	113.2	M164	M164-S176 CarbonylContact O-C 3.56Å; M164-S176 WeakPolarHBondContact O-CA 3.5Å
177	L	85.5	Confident	84.7	Confident	14 Å²	14	58 Å²	58	7%	0.073	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.6	171.2	-77.8	157.8	0	0	0	110.1	M164 L166 C182 V347	M164-L177 HydrophobicContact CB-CB 3.83Å; M164-L177 HydrophobicContact CB-CD1 4.46Å; M164-L177 HydrophobicContact CE-CB 4.17Å; M164-L177 PolarHBondContact O-N 3.21Å; L166-L177 HydrophobicContact CD1-CD1 4.25Å; L166-L177 HydrophobicContact CD1-CD2 4.14Å; L166-L177 HydrophobicContact CD1-CG 3.94Å; L166-L177 HydrophobicContact CD2-CD1 3.78Å; L166-L177 HydrophobicContact CD2-CG 4.4Å; L166-L177 HydrophobicContact CG-CD1 3.63Å; L166-L177 HydrophobicContact CG-CD2 4.43Å; L166-L177 HydrophobicContact CG-CG 3.81Å; L177-C182 HydrophobicContact CD2-CB 3.43Å; L177-C182 VanDerWaalsContact CD2-CB 3.43Å; L177-V347 HydrophobicContact CD1-CG1 4.15Å; L177-V347 HydrophobicContact CD1-CG2 3.85Å
178	N	81.9	Confident	84.2	Confident	149 Å²	149	60.2 Å²	60.2	80%	0.797	36%	0.36	S	S	*	.			trans	-90.2	-16.2	-176.4	-65.5	-21.1	0	0	0	114.2
179	S	82	Confident	83.7	Confident	46 Å²	46	61.4 Å²	61.4	32%	0.322	37%	0.372	S	S	.	.			trans	-142.3	154.1	-176.8	85.1	0	0	0	0	112.7	A181 C182	S179-A181 VanDerWaalsContact C-N 3.25Å; S179-A181 PolarHBondContact O-N 3.12Å; S179-A181 PolarHBondContact OG-N 3.43Å; S179-C182 WeakPolarHBondContact O-CB 3.46Å; S179-C182 PolarHBondContact O-N 2.93Å; S179-C182 PolarHBondContact OG-N 3.31Å; S179-C182 PolarHBondContact OG-SG 3.37Å
180	L	82.9	Confident	83.6	Confident	15 Å²	15	61.3 Å²	61.3	8%	0.079	37%	0.374	C	S	.	.	S	Bend	trans	-66.2	-27.8	172.9	-62.7	176.9	0	0	0	112.6	M164 C182 L183 L211 R214 L215 L218	M164-L180 HydrophobicContact CE-CD2 4.06Å; M164-L180 HydrophobicContact SD-CD2 4.18Å; L180-C182 VanDerWaalsContact C-N 3.31Å; L180-C182 PolarHBondContact O-N 2.86Å; L180-L183 WeakPolarHBondContact O-CB 3.43Å; L180-L183 PolarHBondContact O-N 3.22Å; L180-L183 VanDerWaalsContact O-N 3.15Å; L180-L211 HydrophobicContact CD2-CD1 3.23Å; L180-L211 HydrophobicContact CD2-CG 4.06Å; L180-R214 HydrophobicContact CD1-CB 4.35Å; L180-R214 HydrophobicContact CD1-CG 3.56Å; L180-L215 HydrophobicContact CB-CD2 4.03Å; L180-L218 HydrophobicContact CD1-CD1 3.73Å
181	A	80	Confident	83.8	Confident	62 Å²	62	58.8 Å²	58.8	51%	0.512	35%	0.353	S	S	.	.	H	α-helix	trans	-64.3	-38.7	176.2	0	0	0	0	0	111.1	S179 L183 L184 D185	S179-A181 VanDerWaalsContact C-N 3.25Å; S179-A181 PolarHBondContact O-N 3.12Å; S179-A181 PolarHBondContact OG-N 3.43Å; A181-L183 PolarHBondContact O-N 3.36Å; A181-L184 PolarHBondContact O-N 3.37Å; A181-L184 VanDerWaalsContact O-N 3.12Å; A181-D185 PolarHBondContact O-N 3.17Å; A181-D185 VanDerWaalsContact O-N 3.07Å
182	C	83.3	Confident	84	Confident	40 Å²	40	56.5 Å²	56.5	27%	0.27	34%	0.341	S	S	.	.	H	α-helix	trans	-63.5	-21	175.7	-60.6	0	0	0	0	113.2	L177 S179 L180 L184 T188 K345	L177-C182 HydrophobicContact CD2-CB 3.43Å; L177-C182 VanDerWaalsContact CD2-CB 3.43Å; S179-C182 WeakPolarHBondContact O-CB 3.46Å; S179-C182 PolarHBondContact O-N 2.93Å; S179-C182 PolarHBondContact OG-N 3.31Å; S179-C182 PolarHBondContact OG-SG 3.37Å; L180-C182 VanDerWaalsContact C-N 3.31Å; L180-C182 PolarHBondContact O-N 2.86Å; C182-L184 VanDerWaalsContact C-N 3.34Å; C182-T188 PolarHBondContact O-OG1 2.91Å; C182-K345 PolarHBondContact O-NZ 3.42Å
183	L	86	Confident	83.9	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-64.1	-42	175	-171	65.4	0	0	0	110.9	L180 A181 I198 I200 L211 L215 L329 K345 V347	L180-L183 WeakPolarHBondContact O-CB 3.43Å; L180-L183 PolarHBondContact O-N 3.22Å; L180-L183 VanDerWaalsContact O-N 3.15Å; A181-L183 PolarHBondContact O-N 3.36Å; L183-I198 HydrophobicContact CD1-CG2 3.73Å; L183-I198 HydrophobicContact CG-CG2 4.23Å; L183-I198 VanDerWaalsContact O-CD1 3.27Å; L183-I198 WeakPolarHBondContact O-CD1 3.11Å; L183-I200 HydrophobicContact CD1-CD1 4.34Å; L183-I200 HydrophobicContact CD2-CD1 3.89Å; L183-L211 HydrophobicContact CD2-CD2 4.44Å; L183-L215 HydrophobicContact CD2-CD1 3.94Å; L183-L329 HydrophobicContact CD2-CD2 3.66Å; L183-L329 HydrophobicContact CG-CD2 4.39Å; L183-K345 PolarHBondContact O-NZ 3.27Å; L183-V347 HydrophobicContact CD1-CG2 3.78Å
184	L	85.4	Confident	83.7	Confident	14 Å²	14	64.8 Å²	64.8	7%	0.073	37%	0.372	C	S	.	.	H	α-helix	trans	-90.8	-14.2	-178.8	-59.6	-177.4	0	0	0	113.9	A181 C182 H186 I198 L224 A226 L280 L329	A181-L184 PolarHBondContact O-N 3.37Å; A181-L184 VanDerWaalsContact O-N 3.12Å; C182-L184 VanDerWaalsContact C-N 3.34Å; L184-H186 PolarHBondContact O-N 3.06Å; L184-I198 HydrophobicContact CD2-CD1 4.24Å; L184-L224 HydrophobicContact CD1-CD1 3.98Å; L184-L224 HydrophobicContact CD1-CD2 3.8Å; L184-L224 HydrophobicContact CD1-CG 4.16Å; L184-A226 HydrophobicContact CB-CB 4.4Å; L184-A226 HydrophobicContact CD1-CB 3.9Å; L184-L280 HydrophobicContact CD1-CD2 4Å; L184-L280 HydrophobicContact CD2-CD1 4.22Å; L184-L280 HydrophobicContact CD2-CD2 4.33Å; L184-L329 HydrophobicContact CD2-CD1 3.43Å; L184-L329 VanDerWaalsContact CD2-CD1 3.43Å; L184-L329 HydrophobicContact CD2-CD2 4.43Å
185	D	83.5	Confident	83.7	Confident	51 Å²	51	60.6 Å²	60.6	27%	0.273	35%	0.349	S	S	.	.			trans	-57.5	136.3	176.8	163.7	39.8	0	0	0	111.9	A181 T187 T188 K345	A181-D185 PolarHBondContact O-N 3.17Å; A181-D185 VanDerWaalsContact O-N 3.07Å; D185-T187 VanDerWaalsContact C-N 3.34Å; D185-T187 VanDerWaalsContact CG-OG1 3.28Å; D185-T187 PolarHBondContact O-N 2.93Å; D185-T187 PolarHBondContact OD1-N 3.13Å; D185-T187 PolarHBondContact OD1-OG1 3.25Å; D185-T187 PolarHBondContact OD2-OG1 2.98Å; D185-T188 WeakPolarHBondContact OD2-CB 3.05Å; D185-T188 WeakPolarHBondContact OD2-CG2 3.3Å; D185-T188 PolarHBondContact OD2-N 3.41Å; D185-T188 PolarHBondContact OD2-OG1 2.95Å; D185-K345 WeakPolarHBondContact O-CE 3.22Å; D185-K345 PolarHBondContact O-NZ 2.92Å
186	H	75.2	Confident	83.7	Confident	110 Å²	110	60.2 Å²	60.2	51%	0.509	34%	0.339	S	S	.	.	S	Bend	trans	-82.3	-7.4	-177.4	-63.2	-57	0	0	0	114.3	L184 I190	L184-H186 PolarHBondContact O-N 3.06Å; H186-I190 WeakPolarHBondContact O-CD1 3.39Å
187	T	77	Confident	84	Confident	113 Å²	113	56.4 Å²	56.4	69%	0.693	31%	0.312	S	S	*	.	S	Bend	trans	-99.5	-28.5	-173.7	66.2	0	0	0	0	114.6	D185	D185-T187 VanDerWaalsContact C-N 3.34Å; D185-T187 VanDerWaalsContact CG-OG1 3.28Å; D185-T187 PolarHBondContact O-N 2.93Å; D185-T187 PolarHBondContact OD1-N 3.13Å; D185-T187 PolarHBondContact OD1-OG1 3.25Å; D185-T187 PolarHBondContact OD2-OG1 2.98Å
188	T	80	Confident	84.4	Confident	48 Å²	48	56 Å²	56	29%	0.294	31%	0.31	S	S	.	.	S	Bend	trans	-93.4	130	-171.8	46.8	0	0	0	0	114.1	C182 D185 I190 K345	C182-T188 PolarHBondContact O-OG1 2.91Å; D185-T188 WeakPolarHBondContact OD2-CB 3.05Å; D185-T188 WeakPolarHBondContact OD2-CG2 3.3Å; D185-T188 PolarHBondContact OD2-N 3.41Å; D185-T188 PolarHBondContact OD2-OG1 2.95Å; T188-I190 PolarHBondContact O-N 2.99Å; T188-K345 WeakPolarHBondContact O-CD 3.48Å; T188-K345 WeakPolarHBondContact O-CE 3.4Å; T188-K345 PolarHBondContact O-NZ 3.13Å; T188-K345 PolarHBondContact OG1-NZ 3.08Å
189	G	79.1	Confident	85.1	Confident	25 Å²	25	49.1 Å²	49.1	26%	0.258	27%	0.273	S	S	.	.	S	Bend	trans	66.1	36.1	164.2	0	0	0	0	0	116
190	I	84.9	Confident	85.7	Confident	62 Å²	62	46.9 Å²	46.9	32%	0.318	26%	0.258	S	S	.	.			trans	-77.1	126.1	-179.9	-49.7	171.2	0	0	0	109.8	H186 T188 E193 R344	H186-I190 WeakPolarHBondContact O-CD1 3.39Å; T188-I190 PolarHBondContact O-N 2.99Å; I190-E193 HydrophobicContact CG2-CG 4.32Å; I190-R344 HydrophobicContact CG2-CG 4.3Å
191	L	87.9	Confident	86.1	Confident	41 Å²	41	46.6 Å²	46.6	22%	0.215	26%	0.256	C	S	.	.	S	Bend	trans	-92.9	-38.1	175.3	-61.1	179.6	0	0	0	112.5	F169 L174 R344 K346	F169-L191 HydrophobicContact CD1-CD1 4.43Å; F169-L191 HydrophobicContact CE1-CB 4.39Å; F169-L191 HydrophobicContact CE1-CD1 4.24Å; F169-L191 HydrophobicContact CE2-CB 3.85Å; F169-L191 HydrophobicContact CZ-CB 3.72Å; F169-L191 HydrophobicContact CZ-CD1 4.35Å; L174-L191 HydrophobicContact CD1-CD2 3.73Å; L191-R344 PolarHBondContact N-O 3.11Å; L191-K346 HydrophobicContact CD1-CB 3.54Å
192	N	88.4	Confident	86.5	Confident	37 Å²	37	43.6 Å²	43.6	20%	0.198	23%	0.231	C	C	.	.			trans	-147.1	120.7	179.5	175.1	9.9	0	0	0	109.1	F169 Q194 G195 L343	F169-N192 HydrophobicContact CZ-CB 4.37Å; N192-Q194 PolarHBondContact O-N 2.85Å; N192-Q194 WeakPolarHBondContact OD1-CB 3Å; N192-Q194 PolarHBondContact OD1-N 3.47Å; N192-G195 PolarHBondContact O-N 3.32Å; N192-G195 VanDerWaalsContact O-N 3.14Å; N192-L343 WeakPolarHBondContact CB-O 3Å
193	E	85.3	Confident	86.5	Confident	161 Å²	161	43.6 Å²	43.6	75%	0.752	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-26.9	179.9	-64.5	-173.3	164.7	0	0	113.1	I190 G195	I190-E193 HydrophobicContact CG2-CG 4.32Å; E193-G195 VanDerWaalsContact C-N 3.32Å
194	Q	84.7	Confident	86	Confident	170 Å²	170	44.2 Å²	44.2	79%	0.794	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-16.9	176	-58.1	-177.2	-3.5	0	0	112.5	N192	N192-Q194 PolarHBondContact O-N 2.85Å; N192-Q194 WeakPolarHBondContact OD1-CB 3Å; N192-Q194 PolarHBondContact OD1-N 3.47Å
195	G	87.5	Confident	85.7	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.			trans	-74.2	145.3	176.1	0	0	0	0	0	111.7	N192 E193 R344	N192-G195 PolarHBondContact O-N 3.32Å; N192-G195 VanDerWaalsContact O-N 3.14Å; E193-G195 VanDerWaalsContact C-N 3.32Å; G195-R344 VanDerWaalsContact O-CB 3.25Å; G195-R344 WeakPolarHBondContact O-CB 3.36Å; G195-R344 WeakPolarHBondContact O-CG 3.29Å
196	E	89.7	Confident	85.9	Confident	26 Å²	26	41.8 Å²	41.8	12%	0.121	22%	0.224	C	C	.	.			trans	-117	-15.6	179.7	-61.1	-167.8	165.2	0	0	113.2	G320 K324 G325 K328 F342	E196-G320 WeakPolarHBondContact OE2-CA 3.47Å; E196-K324 WeakPolarHBondContact OE1-CG 3.49Å; E196-G325 PolarHBondContact OE1-N 3.11Å; E196-G325 PolarHBondContact OE2-N 2.98Å; E196-K328 HydrophobicContact CB-CD 4.17Å; E196-K328 IonicContact OE2-NZ 3.16Å; E196-K328 PolarHBondContact OE2-NZ 3.43Å; E196-F342 PolarHBondContact N-O 2.8Å; E196-F342 VanDerWaalsContact N-O 3.12Å
197	T	93.9	Very high	86.5	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.1	-175.2	-64.1	0	0	0	0	111.8	L318 K328 L330 F342 L343 R344	T197-L318 HydrophobicContact CG2-CD2 4.06Å; T197-L318 PolarHBondContact OG1-O 3.38Å; T197-K328 CarbonylContact C-O 3.58Å; T197-K328 WeakPolarHBondContact CA-O 3.44Å; T197-L330 HydrophobicContact CG2-CB 3.68Å; T197-L330 HydrophobicContact CG2-CD2 4.23Å; T197-F342 WeakPolarHBondContact CB-O 3.29Å; T197-F342 PolarHBondContact N-O 3.01Å; T197-L343 HydrophobicContact CG2-CD2 4.49Å; T197-L343 CarbonylContact O-C 3.54Å; T197-L343 WeakPolarHBondContact O-CA 3.46Å; T197-R344 PolarHBondContact O-N 2.86Å
198	I	94.8	Very high	87.1	Confident	7 Å²	7	32.7 Å²	32.7	4%	0.036	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	114.8	166.6	-64.1	157.8	0	0	0	107.7	L183 L184 I200 K328 L329 L330 K345	L183-I198 HydrophobicContact CD1-CG2 3.73Å; L183-I198 HydrophobicContact CG-CG2 4.23Å; L183-I198 VanDerWaalsContact O-CD1 3.27Å; L183-I198 WeakPolarHBondContact O-CD1 3.11Å; L184-I198 HydrophobicContact CD2-CD1 4.24Å; I198-I200 HydrophobicContact CG2-CG1 4.35Å; I198-K328 PolarHBondContact N-O 3.31Å; I198-L329 HydrophobicContact CB-CD1 4.12Å; I198-L329 HydrophobicContact CB-CG 4.16Å; I198-L329 HydrophobicContact CD1-CD1 3.7Å; I198-L329 HydrophobicContact CG1-CD1 4.49Å; I198-L329 HydrophobicContact CG2-CG 4.32Å; I198-L329 WeakPolarHBondContact O-CA 3.37Å; I198-L330 PolarHBondContact O-N 3.47Å; I198-K345 HydrophobicContact CG1-CB 4.19Å; I198-K345 HydrophobicContact CG1-CD 4.39Å; I198-K345 HydrophobicContact CG1-CG 4.23Å; I198-K345 HydrophobicContact CG2-CB 4.25Å
199	F	95.3	Very high	87.4	Confident	3 Å²	3	33.1 Å²	33.1	1%	0.013	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.4	-176.3	-176.8	-136.7	0	0	0	111.7	L201 L330 A332 V338 L343 K345 K346 V347	F199-L201 HydrophobicContact CD1-CD1 4.01Å; F199-L201 HydrophobicContact CD1-CD2 4.26Å; F199-L201 HydrophobicContact CD1-CG 3.87Å; F199-L201 HydrophobicContact CE1-CD1 3.66Å; F199-L201 HydrophobicContact CE1-CD2 3.37Å; F199-L201 HydrophobicContact CE1-CG 3.45Å; F199-L201 VanDerWaalsContact CE1-CG 3.45Å; F199-L201 HydrophobicContact CE2-CD2 4.16Å; F199-L201 HydrophobicContact CZ-CD1 4.46Å; F199-L201 HydrophobicContact CZ-CD2 3.29Å; F199-L201 HydrophobicContact CZ-CG 3.81Å; F199-L330 CarbonylContact C-O 3.52Å; F199-L330 WeakPolarHBondContact CA-O 3.43Å; F199-L330 HydrophobicContact CD2-CB 4.18Å; F199-L330 HydrophobicContact CD2-CD2 4.1Å; F199-L330 HydrophobicContact CD2-CG 4.02Å; F199-L330 WeakPolarHBondContact CD2-O 3.36Å; F199-L330 HydrophobicContact CE2-CD2 4.32Å; F199-L330 HydrophobicContact CE2-CG 4.26Å; F199-A332 HydrophobicContact CE2-CB 3.48Å; F199-A332 VanDerWaalsContact CE2-CB 3.48Å; F199-A332 HydrophobicContact CZ-CB 3.72Å; F199-V338 HydrophobicContact CD1-CG2 4.35Å; F199-V338 HydrophobicContact CD2-CG2 4.08Å; F199-V338 HydrophobicContact CE1-CB 4.46Å; F199-V338 HydrophobicContact CE1-CG2 3.95Å; F199-V338 HydrophobicContact CE2-CG2 3.66Å; F199-V338 HydrophobicContact CG-CG2 4.42Å; F199-V338 HydrophobicContact CZ-CG2 3.59Å; F199-L343 HydrophobicContact CB-CD2 3.44Å; F199-L343 VanDerWaalsContact CB-CD2 3.44Å; F199-L343 HydrophobicContact CD1-CD1 4.32Å; F199-L343 HydrophobicContact CD1-CD2 4.26Å; F199-L343 HydrophobicContact CG-CD2 4.03Å; F199-K345 PolarHBondContact N-O 3.38Å; F199-K346 HydrophobicContact CD1-CG 4.15Å; F199-K346 CarbonylContact O-C 3.6Å; F199-K346 WeakPolarHBondContact O-CA 3.41Å; F199-V347 PolarHBondContact O-N 2.94Å
200	I	95.2	Very high	87.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	106.1	-175.3	-53.1	177.6	0	0	0	108.9	L183 I198 L211 L329 L330 T331 A332 V347 L349	L183-I200 HydrophobicContact CD1-CD1 4.34Å; L183-I200 HydrophobicContact CD2-CD1 3.89Å; I198-I200 HydrophobicContact CG2-CG1 4.35Å; I200-L211 HydrophobicContact CD1-CD2 3.77Å; I200-L211 HydrophobicContact CG2-CD2 4.17Å; I200-L329 HydrophobicContact CD1-CD2 4.02Å; I200-L329 HydrophobicContact CD1-CG 4.4Å; I200-L330 PolarHBondContact N-O 3.33Å; I200-T331 HydrophobicContact CB-CG2 4.11Å; I200-T331 HydrophobicContact CD1-CG2 4.48Å; I200-T331 VanDerWaalsContact O-CA 3.29Å; I200-T331 WeakPolarHBondContact O-CA 3.43Å; I200-A332 PolarHBondContact O-N 2.92Å; I200-V347 CarbonylContact C-O 3.37Å; I200-V347 WeakPolarHBondContact CA-O 3.3Å; I200-L349 HydrophobicContact CG2-CD1 3.9Å; I200-L349 HydrophobicContact CG2-CD2 4.27Å; I200-L349 HydrophobicContact CG2-CG 3.78Å
201	L	92.1	Very high	88.2	Confident	8 Å²	8	30.8 Å²	30.8	4%	0.042	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	154.8	177.1	-72.3	167.1	0	0	0	110.8	F199 A332 R333 K346 V347 L348 L349	F199-L201 HydrophobicContact CD1-CD1 4.01Å; F199-L201 HydrophobicContact CD1-CD2 4.26Å; F199-L201 HydrophobicContact CD1-CG 3.87Å; F199-L201 HydrophobicContact CE1-CD1 3.66Å; F199-L201 HydrophobicContact CE1-CD2 3.37Å; F199-L201 HydrophobicContact CE1-CG 3.45Å; F199-L201 VanDerWaalsContact CE1-CG 3.45Å; F199-L201 HydrophobicContact CE2-CD2 4.16Å; F199-L201 HydrophobicContact CZ-CD1 4.46Å; F199-L201 HydrophobicContact CZ-CD2 3.29Å; F199-L201 HydrophobicContact CZ-CG 3.81Å; L201-A332 WeakPolarHBondContact CA-O 3.4Å; L201-A332 HydrophobicContact CD2-CB 4.41Å; L201-R333 WeakPolarHBondContact CD2-O 3.5Å; L201-K346 HydrophobicContact CD1-CD 4.28Å; L201-K346 HydrophobicContact CD1-CG 4.06Å; L201-V347 PolarHBondContact N-O 3.4Å; L201-L348 HydrophobicContact CB-CD1 4.02Å; L201-L348 WeakPolarHBondContact O-CA 3.38Å; L201-L349 PolarHBondContact O-N 3.26Å
202	G	87.9	Confident	88.4	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.9	162.3	169.3	0	0	0	0	0	112.2	K208 A332 R333 T334	G202-K208 PolarHBondContact O-NZ 2.9Å; G202-A332 PolarHBondContact N-O 3.07Å; G202-R333 WeakPolarHBondContact O-CA 3.45Å; G202-T334 PolarHBondContact O-N 2.85Å
203	D	82.8	Confident	88.5	Confident	40 Å²	40	28.4 Å²	28.4	21%	0.214	15%	0.149	C	C	.	.			trans	-70.9	172	-174.6	-58.8	-32.2	0	0	0	112.8	G205 V206 K208 T334 R499 F516	D203-G205 PolarHBondContact O-N 3.37Å; D203-V206 WeakPolarHBondContact O-CB 3.4Å; D203-V206 VanDerWaalsContact O-CG1 3.23Å; D203-V206 WeakPolarHBondContact O-CG1 3.34Å; D203-V206 PolarHBondContact O-N 3.38Å; D203-K208 PolarHBondContact O-NZ 3.23Å; D203-T334 WeakPolarHBondContact OD1-CB 3.41Å; D203-T334 VanDerWaalsContact OD1-CG2 3.24Å; D203-T334 WeakPolarHBondContact OD1-CG2 3.34Å; D203-T334 PolarHBondContact OD1-OG1 3.28Å; D203-R499 IonicContact OD1-CZ 2.88Å; D203-R499 IonicContact OD1-NE 2.8Å; D203-R499 PolarHBondContact OD1-NE 2.84Å; D203-R499 IonicContact OD1-NH2 3.8Å; D203-F516 HydrophobicContact CB-CD2 4.38Å; D203-F516 HydrophobicContact CB-CE2 3.62Å
204	A	76.2	Confident	88.8	Confident	12 Å²	12	23.1 Å²	23.1	10%	0.099	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	132	176.4	0	0	0	0	0	110.7	V206	A204-V206 PolarHBondContact O-N 2.75Å
205	G	77.5	Confident	89.2	Confident	11 Å²	11	15 Å²	15	11%	0.113	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	4.6	178.4	0	0	0	0	0	115.9	D203 G207 L392	D203-G205 PolarHBondContact O-N 3.37Å; G205-G207 PolarHBondContact O-N 2.83Å; G205-L392 WeakPolarHBondContact O-CB 3.4Å; G205-L392 PolarHBondContact O-N 3.44Å; G205-L392 VanDerWaalsContact O-N 3.08Å
206	V	87.9	Confident	89.4	Confident	4 Å²	4	15.5 Å²	15.5	2%	0.024	9%	0.086	C	C	.	.	S	Bend	trans	-71.8	-15.3	179.6	80	0	0	0	0	114	D203 A204 K208 L349 P391	D203-V206 WeakPolarHBondContact O-CB 3.4Å; D203-V206 VanDerWaalsContact O-CG1 3.23Å; D203-V206 WeakPolarHBondContact O-CG1 3.34Å; D203-V206 PolarHBondContact O-N 3.38Å; A204-V206 PolarHBondContact O-N 2.75Å; V206-K208 HydrophobicContact CG1-CG 3.92Å; V206-L349 HydrophobicContact CG1-CB 3.76Å; V206-L349 HydrophobicContact CG1-CD1 4.2Å; V206-L349 HydrophobicContact CG2-CB 4.03Å; V206-L349 WeakPolarHBondContact CG2-O 3.48Å; V206-P391 WeakPolarHBondContact O-CG 3.36Å
207	G	87.9	Confident	89.5	Confident	11 Å²	11	14.7 Å²	14.7	11%	0.113	8%	0.084	C	C	.	.	S	Bend	trans	109.8	14.7	176.1	0	0	0	0	0	116.4	G205 S209 M210 L211	G205-G207 PolarHBondContact O-N 2.83Å; G207-S209 PolarHBondContact O-N 3Å; G207-M210 CarbonylContact O-C 3.59Å; G207-M210 WeakPolarHBondContact O-CB 3.48Å; G207-M210 PolarHBondContact O-N 3.47Å; G207-M210 VanDerWaalsContact O-N 3.09Å; G207-L211 PolarHBondContact O-N 3.46Å
208	K	90.2	Very high	89.3	Confident	21 Å²	21	15.9 Å²	15.9	9%	0.091	9%	0.09	C	C	.	.	H	α-helix	trans	-50.4	-53.4	177.4	-63.3	-176.6	-60.2	-77.8	0	113.7	G202 D203 V206 M210 L211 L212 T331 A332 L349	G202-K208 PolarHBondContact O-NZ 2.9Å; D203-K208 PolarHBondContact O-NZ 3.23Å; V206-K208 HydrophobicContact CG1-CG 3.92Å; K208-M210 VanDerWaalsContact C-N 3.31Å; K208-M210 PolarHBondContact O-N 2.82Å; K208-L211 VanDerWaalsContact O-CB 3.25Å; K208-L211 WeakPolarHBondContact O-CB 3.22Å; K208-L211 PolarHBondContact O-N 2.75Å; K208-L212 PolarHBondContact O-N 3.25Å; K208-L212 VanDerWaalsContact O-N 3.17Å; K208-T331 HydrophobicContact CB-CG2 4.14Å; K208-A332 WeakPolarHBondContact CD-O 3.42Å; K208-A332 VanDerWaalsContact CE-O 3.28Å; K208-A332 WeakPolarHBondContact CE-O 3.47Å; K208-L349 HydrophobicContact CB-CD1 4.32Å; K208-L349 HydrophobicContact CG-CD1 3.73Å
209	S	85.5	Confident	89.2	Confident	56 Å²	56	15.8 Å²	15.8	39%	0.392	9%	0.089	S	C	.	.	H	α-helix	trans	-66.1	-33.7	178.2	-50.1	0	0	0	0	112.5	G207 L211 L212 Q213 D284	G207-S209 PolarHBondContact O-N 3Å; S209-L211 VanDerWaalsContact C-N 3.33Å; S209-L212 PolarHBondContact O-N 3.28Å; S209-Q213 WeakPolarHBondContact O-CB 3.44Å; S209-Q213 PolarHBondContact O-N 3.14Å; S209-D284 WeakPolarHBondContact CB-OD2 3.14Å; S209-D284 PolarHBondContact OG-OD1 2.97Å; S209-D284 PolarHBondContact OG-OD2 2.9Å
210	M	88.5	Confident	88.9	Confident	37 Å²	37	16.5 Å²	16.5	18%	0.182	10%	0.095	C	C	.	.	H	α-helix	trans	-66.8	-35.9	175.6	-63.4	-73.1	83.1	0	0	112	V144 Y159 G207 K208 Q213 R214	V144-M210 HydrophobicContact CB-SD 4.47Å; V144-M210 HydrophobicContact CG1-CE 3.83Å; V144-M210 HydrophobicContact CG1-SD 3.71Å; V144-M210 HydrophobicContact CG2-CE 3.9Å; V144-M210 HydrophobicContact CG2-SD 3.87Å; Y159-M210 HydrophobicContact CD2-CB 4.27Å; G207-M210 CarbonylContact O-C 3.59Å; G207-M210 WeakPolarHBondContact O-CB 3.48Å; G207-M210 PolarHBondContact O-N 3.47Å; G207-M210 VanDerWaalsContact O-N 3.09Å; K208-M210 VanDerWaalsContact C-N 3.31Å; K208-M210 PolarHBondContact O-N 2.82Å; M210-Q213 HydrophobicContact CE-CB 4.47Å; M210-Q213 PolarHBondContact O-N 2.61Å; M210-R214 WeakPolarHBondContact O-CB 3.29Å; M210-R214 PolarHBondContact O-N 3.32Å
211	L	92.2	Very high	88.6	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-61.5	-49.1	173.1	-168.7	79.3	0	0	0	111.1	M164 L180 L183 I200 G207 K208 S209 R214 L215 L349	M164-L211 HydrophobicContact SD-CD1 4.05Å; M164-L211 HydrophobicContact SD-CD2 4.42Å; L180-L211 HydrophobicContact CD2-CD1 3.23Å; L180-L211 HydrophobicContact CD2-CG 4.06Å; L183-L211 HydrophobicContact CD2-CD2 4.44Å; I200-L211 HydrophobicContact CD1-CD2 3.77Å; I200-L211 HydrophobicContact CG2-CD2 4.17Å; G207-L211 PolarHBondContact O-N 3.46Å; K208-L211 VanDerWaalsContact O-CB 3.25Å; K208-L211 WeakPolarHBondContact O-CB 3.22Å; K208-L211 PolarHBondContact O-N 2.75Å; S209-L211 VanDerWaalsContact C-N 3.33Å; L211-R214 WeakPolarHBondContact O-CB 3.29Å; L211-R214 PolarHBondContact O-N 3Å; L211-L215 WeakPolarHBondContact O-CG 3.25Å; L211-L215 PolarHBondContact O-N 2.87Å; L211-L349 HydrophobicContact CD2-CD1 4.16Å; L211-L349 HydrophobicContact CD2-CD2 4.25Å
212	L	92.5	Very high	88.2	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.4	-43.1	177.4	-66.3	-173.7	0	0	0	111.8	K208 S209 R214 L215 Q216 T282 D284 L329 T331	K208-L212 PolarHBondContact O-N 3.25Å; K208-L212 VanDerWaalsContact O-N 3.17Å; S209-L212 PolarHBondContact O-N 3.28Å; L212-R214 VanDerWaalsContact C-N 3.28Å; L212-R214 PolarHBondContact O-N 3.16Å; L212-L215 HydrophobicContact CD2-CD1 4.3Å; L212-L215 WeakPolarHBondContact O-CB 3.31Å; L212-L215 PolarHBondContact O-N 3.16Å; L212-Q216 VanDerWaalsContact O-CG 3.3Å; L212-Q216 WeakPolarHBondContact O-CG 3.22Å; L212-Q216 PolarHBondContact O-N 3.27Å; L212-T282 HydrophobicContact CD2-CG2 3.97Å; L212-D284 HydrophobicContact CD1-CB 3.61Å; L212-L329 HydrophobicContact CD2-CB 4.31Å; L212-L329 HydrophobicContact CD2-CD2 4Å; L212-T331 HydrophobicContact CD1-CG2 3.55Å; L212-T331 HydrophobicContact CD2-CG2 4.09Å; L212-T331 HydrophobicContact CG-CG2 3.78Å
213	Q	90.7	Very high	88.1	Confident	29 Å²	29	30.4 Å²	30.4	14%	0.136	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-36	176.3	-166.9	176.4	-16.5	0	0	111.7	S141 F143 L155 S209 M210 Q216 S217	S141-Q213 PolarHBondContact O-NE2 2.97Å; F143-Q213 PolarHBondContact O-NE2 3.01Å; L155-Q213 HydrophobicContact CD2-CG 4.08Å; S209-Q213 WeakPolarHBondContact O-CB 3.44Å; S209-Q213 PolarHBondContact O-N 3.14Å; M210-Q213 HydrophobicContact CE-CB 4.47Å; M210-Q213 PolarHBondContact O-N 2.61Å; Q213-Q216 WeakPolarHBondContact O-CB 3.46Å; Q213-Q216 PolarHBondContact O-N 3.02Å; Q213-S217 PolarHBondContact O-N 2.94Å
214	R	92.2	Very high	88.1	Confident	49 Å²	49	29.4 Å²	29.4	19%	0.185	17%	0.167	C	C	.	.	H	α-helix	trans	-65	-43	173	-178.1	62.1	171.9	169.7	-2.1	112.2	L155 E156 Y159 L180 M210 L211 L212 Q216 S217 L218	L155-R214 HydrophobicContact CD2-CB 4.43Å; E156-R214 IonicContact OE1-NH1 3.49Å; Y159-R214 HydrophobicContact CD1-CB 4.43Å; Y159-R214 HydrophobicContact CD1-CG 3.91Å; Y159-R214 HydrophobicContact CD2-CB 3.8Å; Y159-R214 HydrophobicContact CD2-CG 4.2Å; Y159-R214 HydrophobicContact CE1-CB 4.22Å; Y159-R214 HydrophobicContact CE1-CG 3.63Å; Y159-R214 HydrophobicContact CE2-CB 3.54Å; Y159-R214 HydrophobicContact CE2-CG 3.91Å; Y159-R214 HydrophobicContact CG-CB 4.25Å; Y159-R214 HydrophobicContact CG-CG 4.21Å; L180-R214 HydrophobicContact CD1-CB 4.35Å; L180-R214 HydrophobicContact CD1-CG 3.56Å; M210-R214 WeakPolarHBondContact O-CB 3.29Å; M210-R214 PolarHBondContact O-N 3.32Å; L211-R214 WeakPolarHBondContact O-CB 3.29Å; L211-R214 PolarHBondContact O-N 3Å; L212-R214 VanDerWaalsContact C-N 3.28Å; L212-R214 PolarHBondContact O-N 3.16Å; R214-Q216 VanDerWaalsContact C-N 3.31Å; R214-Q216 PolarHBondContact O-N 3.26Å; R214-S217 PolarHBondContact O-N 3.03Å; R214-L218 HydrophobicContact CG-CD1 4.17Å; R214-L218 HydrophobicContact CG-CG 4.47Å; R214-L218 WeakPolarHBondContact O-CG 3.41Å; R214-L218 PolarHBondContact O-N 3.49Å
215	L	92.2	Very high	87.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.7	-42.7	174.4	-73.9	167.3	0	0	0	111.7	L180 L183 L211 L212 S217 L218 W219 L224 F231 L329	L180-L215 HydrophobicContact CB-CD2 4.03Å; L183-L215 HydrophobicContact CD2-CD1 3.94Å; L211-L215 WeakPolarHBondContact O-CG 3.25Å; L211-L215 PolarHBondContact O-N 2.87Å; L212-L215 HydrophobicContact CD2-CD1 4.3Å; L212-L215 WeakPolarHBondContact O-CB 3.31Å; L212-L215 PolarHBondContact O-N 3.16Å; L215-S217 PolarHBondContact O-N 2.87Å; L215-L218 PolarHBondContact O-N 2.91Å; L215-W219 WeakPolarHBondContact O-CB 3.49Å; L215-W219 PolarHBondContact O-N 3.15Å; L215-L224 HydrophobicContact CD2-CD1 4.22Å; L215-F231 HydrophobicContact CB-CE2 4.47Å; L215-F231 HydrophobicContact CB-CZ 4.37Å; L215-L329 HydrophobicContact CD1-CD2 3.51Å
216	Q	91.9	Very high	87.5	Confident	10 Å²	10	38.3 Å²	38.3	5%	0.047	22%	0.216	C	C	.	.	H	α-helix	trans	-59.6	-46.4	175.2	-67.4	162.8	20.7	0	0	111.6	L137 L212 Q213 R214 W219 A220 F231 H233	L137-Q216 HydrophobicContact CD2-CB 4.23Å; L137-Q216 HydrophobicContact CD2-CG 3.95Å; L212-Q216 VanDerWaalsContact O-CG 3.3Å; L212-Q216 WeakPolarHBondContact O-CG 3.22Å; L212-Q216 PolarHBondContact O-N 3.27Å; Q213-Q216 WeakPolarHBondContact O-CB 3.46Å; Q213-Q216 PolarHBondContact O-N 3.02Å; R214-Q216 VanDerWaalsContact C-N 3.31Å; R214-Q216 PolarHBondContact O-N 3.26Å; Q216-W219 PolarHBondContact O-N 3.41Å; Q216-A220 VanDerWaalsContact O-CB 3.3Å; Q216-A220 WeakPolarHBondContact O-CB 3.46Å; Q216-A220 PolarHBondContact O-N 3.21Å; Q216-F231 HydrophobicContact CB-CZ 4.38Å; Q216-F231 HydrophobicContact CG-CD1 4.25Å; Q216-F231 HydrophobicContact CG-CE1 3.46Å; Q216-F231 VanDerWaalsContact CG-CE1 3.46Å; Q216-F231 HydrophobicContact CG-CE2 4.48Å; Q216-F231 HydrophobicContact CG-CZ 3.59Å; Q216-H233 PolarHBondContact NE2-CD2 3.31Å; Q216-H233 PolarHBondContact NE2-CE1 2.84Å; Q216-H233 VanDerWaalsContact NE2-CE1 3.32Å; Q216-H233 PolarHBondContact NE2-ND1 2.81Å
217	S	91.6	Very high	87	Confident	9 Å²	9	40.9 Å²	40.9	6%	0.063	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-43.1	178.6	173.6	0	0	0	0	112.2	S141 Q213 R214 L215 A220 T221	S141-S217 WeakPolarHBondContact OG-CA 3.1Å; S141-S217 PolarHBondContact OG-N 3.47Å; Q213-S217 PolarHBondContact O-N 2.94Å; R214-S217 PolarHBondContact O-N 3.03Å; L215-S217 PolarHBondContact O-N 2.87Å; S217-A220 PolarHBondContact O-N 2.91Å; S217-T221 WeakPolarHBondContact O-CB 3.2Å; S217-T221 WeakPolarHBondContact O-CG2 3.24Å; S217-T221 PolarHBondContact O-N 2.89Å; S217-T221 PolarHBondContact O-OG1 2.98Å
218	L	90.7	Very high	87	Confident	25 Å²	25	41.1 Å²	41.1	13%	0.131	24%	0.242	C	C	.	.	H	α-helix	trans	-65.5	-39.6	176.8	-70.2	174	0	0	0	112	L180 R214 L215 T221 G222 R223 L224	L180-L218 HydrophobicContact CD1-CD1 3.73Å; R214-L218 HydrophobicContact CG-CD1 4.17Å; R214-L218 HydrophobicContact CG-CG 4.47Å; R214-L218 WeakPolarHBondContact O-CG 3.41Å; R214-L218 PolarHBondContact O-N 3.49Å; L215-L218 PolarHBondContact O-N 2.91Å; L218-T221 PolarHBondContact O-OG1 2.84Å; L218-G222 PolarHBondContact O-N 3.39Å; L218-R223 HydrophobicContact CD2-CB 4.03Å; L218-R223 PolarHBondContact O-N 2.82Å; L218-L224 HydrophobicContact CB-CB 4.22Å; L218-L224 PolarHBondContact O-N 3.49Å
219	W	91.4	Very high	86.8	Confident	6 Å²	6	42 Å²	42	2%	0.023	25%	0.246	C	C	.	.	H	α-helix	trans	-67.6	-45	175.4	179.7	79.4	0	0	0	112.4	L133 R134 L137 L215 Q216 T221 G222 L224 V228 K229 F231	L133-W219 HydrophobicContact CB-CH2 3.74Å; L133-W219 HydrophobicContact CB-CZ3 4.19Å; R134-W219 HydrophobicContact CB-CH2 4.38Å; R134-W219 HydrophobicContact CB-CZ3 4.19Å; R134-W219 HydrophobicContact CG-CE3 4.07Å; R134-W219 HydrophobicContact CG-CH2 3.48Å; R134-W219 VanDerWaalsContact CG-CH2 3.48Å; R134-W219 HydrophobicContact CG-CZ2 3.96Å; R134-W219 HydrophobicContact CG-CZ3 3.53Å; L137-W219 HydrophobicContact CB-CZ3 4.39Å; L137-W219 HydrophobicContact CD1-CE3 3.73Å; L137-W219 HydrophobicContact CD1-CZ3 3.5Å; L215-W219 WeakPolarHBondContact O-CB 3.49Å; L215-W219 PolarHBondContact O-N 3.15Å; Q216-W219 PolarHBondContact O-N 3.41Å; W219-T221 VanDerWaalsContact C-N 3.26Å; W219-T221 PolarHBondContact O-N 3.32Å; W219-G222 PolarHBondContact O-N 2.97Å; W219-L224 HydrophobicContact CB-CB 4.19Å; W219-L224 HydrophobicContact CB-CD2 3.85Å; W219-L224 HydrophobicContact CG-CD2 4.45Å; W219-V228 PolarHBondContact NE1-O 2.99Å; W219-K229 WeakPolarHBondContact CZ2-O 3.24Å; W219-F231 HydrophobicContact CB-CD2 3.72Å; W219-F231 HydrophobicContact CB-CE2 4.07Å; W219-F231 HydrophobicContact CD2-CB 3.55Å; W219-F231 AromaticContact CD2-CD2 3.81Å; W219-F231 HydrophobicContact CD2-CD2 3.81Å; W219-F231 HydrophobicContact CD2-CG 4.06Å; W219-F231 HydrophobicContact CE3-CB 3.54Å; W219-F231 HydrophobicContact CE3-CD2 4.17Å; W219-F231 HydrophobicContact CE3-CG 4.08Å; W219-F231 HydrophobicContact CG-CB 4.23Å; W219-F231 AromaticContact CG-CD2 3.58Å; W219-F231 HydrophobicContact CG-CD2 3.58Å; W219-F231 HydrophobicContact CG-CE2 4.4Å; W219-F231 HydrophobicContact CG-CG 4.32Å; W219-F231 HydrophobicContact CH2-CB 3.89Å; W219-F231 HydrophobicContact CZ2-CB 3.9Å; W219-F231 HydrophobicContact CZ3-CB 3.71Å
220	A	89.8	Confident	87.2	Confident	17 Å²	17	39.4 Å²	39.4	14%	0.14	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-33.4	179.6	0	0	0	0	0	112.7	G138 Q216 S217 G222	G138-A220 VanDerWaalsContact CA-CB 3.45Å; Q216-A220 VanDerWaalsContact O-CB 3.3Å; Q216-A220 WeakPolarHBondContact O-CB 3.46Å; Q216-A220 PolarHBondContact O-N 3.21Å; S217-A220 PolarHBondContact O-N 2.91Å; A220-G222 VanDerWaalsContact C-N 3.32Å
221	T	88.2	Confident	87.4	Confident	76 Å²	76	37.6 Å²	37.6	47%	0.466	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-1.1	175.3	54.7	0	0	0	0	113.9	S217 L218 W219 R223	S217-T221 WeakPolarHBondContact O-CB 3.2Å; S217-T221 WeakPolarHBondContact O-CG2 3.24Å; S217-T221 PolarHBondContact O-N 2.89Å; S217-T221 PolarHBondContact O-OG1 2.98Å; L218-T221 PolarHBondContact O-OG1 2.84Å; W219-T221 VanDerWaalsContact C-N 3.26Å; W219-T221 PolarHBondContact O-N 3.32Å; T221-R223 VanDerWaalsContact C-N 3.3Å; T221-R223 PolarHBondContact O-N 3.1Å
222	G	84.1	Confident	87.5	Confident	53 Å²	53	37.6 Å²	37.6	55%	0.546	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	14.2	-179.3	0	0	0	0	0	115	L218 W219 A220	L218-G222 PolarHBondContact O-N 3.39Å; W219-G222 PolarHBondContact O-N 2.97Å; A220-G222 VanDerWaalsContact C-N 3.32Å
223	R	85.2	Confident	87.4	Confident	171 Å²	171	39.1 Å²	39.1	65%	0.645	23%	0.226	S	C	*	.			trans	-90.3	-3.8	179.7	-64.9	-177.9	178.7	169.3	0.5	113.9	E156 L218 T221	E156-R223 IonicContact OE1-NH1 3.98Å; L218-R223 HydrophobicContact CD2-CB 4.03Å; L218-R223 PolarHBondContact O-N 2.82Å; T221-R223 VanDerWaalsContact C-N 3.3Å; T221-R223 PolarHBondContact O-N 3.1Å
224	L	83.2	Confident	87.4	Confident	20 Å²	20	37.9 Å²	37.9	11%	0.105	22%	0.22	C	C	.	.			trans	-97.5	99.7	176.1	-172.4	70.5	0	0	0	109.9	L184 L215 L218 W219 A226	L184-L224 HydrophobicContact CD1-CD1 3.98Å; L184-L224 HydrophobicContact CD1-CD2 3.8Å; L184-L224 HydrophobicContact CD1-CG 4.16Å; L215-L224 HydrophobicContact CD2-CD1 4.22Å; L218-L224 HydrophobicContact CB-CB 4.22Å; L218-L224 PolarHBondContact O-N 3.49Å; W219-L224 HydrophobicContact CB-CB 4.19Å; W219-L224 HydrophobicContact CB-CD2 3.85Å; W219-L224 HydrophobicContact CG-CD2 4.45Å; L224-A226 HydrophobicContact CG-CB 4.39Å; L224-A226 PolarHBondContact O-N 3.32Å
225	D	69.1	Low	86.9	Confident	169 Å²	169	41.4 Å²	41.4	90%	0.904	23%	0.234	S	C	*	.			trans	-89.1	83.2	-179.5	-162.5	12.4	0	0	0	111.3
226	A	72.9	Confident	86.4	Confident	41 Å²	41	41.4 Å²	41.4	34%	0.339	23%	0.234	S	C	.	.	S	Bend	trans	-133.8	14.7	-177.5	0	0	0	0	0	113.3	L184 L224 V228	L184-A226 HydrophobicContact CB-CB 4.4Å; L184-A226 HydrophobicContact CD1-CB 3.9Å; L224-A226 HydrophobicContact CG-CB 4.39Å; L224-A226 PolarHBondContact O-N 3.32Å; A226-V228 HydrophobicContact CB-CG2 3.92Å; A226-V228 PolarHBondContact O-N 3.42Å; A226-V228 VanDerWaalsContact O-N 3.17Å
227	G	77.8	Confident	85.5	Confident	58 Å²	58	46.4 Å²	46.4	60%	0.598	25%	0.252	S	S	*	.			trans	65.5	14.7	-176.7	0	0	0	0	0	115
228	V	87.2	Confident	84.7	Confident	15 Å²	15	48.1 Å²	48.1	9%	0.091	26%	0.26	C	S	.	.			trans	-84.7	115	-174.9	179.4	0	0	0	0	111.1	W219 A226 F230 V278 L280	W219-V228 PolarHBondContact NE1-O 2.99Å; A226-V228 HydrophobicContact CB-CG2 3.92Å; A226-V228 PolarHBondContact O-N 3.42Å; A226-V228 VanDerWaalsContact O-N 3.17Å; V228-F230 WeakPolarHBondContact CG1-O 3.41Å; V228-V278 CarbonylContact C-O 3.5Å; V228-V278 WeakPolarHBondContact CA-O 3.5Å; V228-L280 HydrophobicContact CB-CB 4.48Å; V228-L280 HydrophobicContact CG1-CB 3.6Å; V228-L280 HydrophobicContact CG2-CB 3.97Å; V228-L280 HydrophobicContact CG2-CD2 4.46Å
229	K	87.1	Confident	84.1	Confident	40 Å²	40	47 Å²	47	17%	0.174	25%	0.254	C	S	.	.	S	Bend	trans	-89.6	-31.6	170.5	-70.6	-165.9	163.4	-157.4	0	113.6	D95 T130 W219 F271 V278	D95-K229 PolarHBondContact O-NZ 2.76Å; T130-K229 VanDerWaalsContact CG2-O 3.27Å; T130-K229 WeakPolarHBondContact CG2-O 3.46Å; T130-K229 PolarHBondContact OG1-O 3.46Å; W219-K229 WeakPolarHBondContact CZ2-O 3.24Å; K229-F271 HydrophobicContact CD-CE1 4.23Å; K229-F271 HydrophobicContact CD-CZ 4.26Å; K229-V278 HydrophobicContact CB-CB 4.03Å; K229-V278 HydrophobicContact CB-CG2 4.03Å; K229-V278 HydrophobicContact CG-CB 4.23Å; K229-V278 PolarHBondContact N-O 2.88Å
230	F	92.2	Very high	83	Confident	1 Å²	1	48.3 Å²	48.3	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.6	-179.9	-54.8	-55.3	0	0	0	111.1	V126 Y129 L133 V228 F232 V268 F271 L272 V278 A279 L280	V126-F230 HydrophobicContact CG1-CE1 4.31Å; V126-F230 HydrophobicContact CG1-CZ 3.87Å; Y129-F230 AromaticContact CD1-CD1 3.89Å; Y129-F230 HydrophobicContact CD1-CD1 3.89Å; Y129-F230 AromaticContact CD1-CE1 3.6Å; Y129-F230 HydrophobicContact CD1-CE1 3.6Å; Y129-F230 HydrophobicContact CD1-CZ 4.43Å; Y129-F230 HydrophobicContact CE1-CD1 4.18Å; Y129-F230 HydrophobicContact CE1-CE1 4.26Å; L133-F230 HydrophobicContact CD1-CB 4.27Å; L133-F230 HydrophobicContact CD1-CD1 4Å; V228-F230 WeakPolarHBondContact CG1-O 3.41Å; F230-F232 HydrophobicContact CB-CD2 4.25Å; F230-F232 HydrophobicContact CB-CE2 3.56Å; F230-F232 HydrophobicContact CB-CZ 4.05Å; F230-F232 HydrophobicContact CG-CE2 4.34Å; F230-V268 HydrophobicContact CZ-CG1 4.35Å; F230-F271 AromaticContact CE2-CD1 3.79Å; F230-F271 HydrophobicContact CE2-CD1 3.79Å; F230-F271 HydrophobicContact CE2-CE1 4.14Å; F230-F271 AromaticContact CZ-CD1 3.94Å; F230-F271 HydrophobicContact CZ-CD1 3.94Å; F230-F271 HydrophobicContact CZ-CE1 4.37Å; F230-L272 HydrophobicContact CD2-CB 4.45Å; F230-L272 HydrophobicContact CD2-CD1 3.74Å; F230-L272 HydrophobicContact CE2-CB 4.03Å; F230-L272 HydrophobicContact CE2-CD1 4.15Å; F230-V278 HydrophobicContact CD2-CG2 3.96Å; F230-V278 HydrophobicContact CE2-CG2 4.21Å; F230-V278 PolarHBondContact N-O 3.2Å; F230-A279 HydrophobicContact CB-CB 4.31Å; F230-A279 CarbonylContact O-C 3.56Å; F230-A279 WeakPolarHBondContact O-CA 3.49Å; F230-L280 PolarHBondContact O-N 3.43Å
231	F	93.8	Very high	82	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	114.4	175.8	-163.6	-56.9	0	0	0	109.1	L137 L215 Q216 W219 H233 Y258 L280 T282	L137-F231 HydrophobicContact CD1-CB 3.64Å; L137-F231 HydrophobicContact CD1-CD1 3.7Å; L137-F231 HydrophobicContact CD1-CG 3.83Å; L137-F231 WeakPolarHBondContact CD1-O 3.37Å; L215-F231 HydrophobicContact CB-CE2 4.47Å; L215-F231 HydrophobicContact CB-CZ 4.37Å; Q216-F231 HydrophobicContact CB-CZ 4.38Å; Q216-F231 HydrophobicContact CG-CD1 4.25Å; Q216-F231 HydrophobicContact CG-CE1 3.46Å; Q216-F231 VanDerWaalsContact CG-CE1 3.46Å; Q216-F231 HydrophobicContact CG-CE2 4.48Å; Q216-F231 HydrophobicContact CG-CZ 3.59Å; W219-F231 HydrophobicContact CB-CD2 3.72Å; W219-F231 HydrophobicContact CB-CE2 4.07Å; W219-F231 HydrophobicContact CD2-CB 3.55Å; W219-F231 AromaticContact CD2-CD2 3.81Å; W219-F231 HydrophobicContact CD2-CD2 3.81Å; W219-F231 HydrophobicContact CD2-CG 4.06Å; W219-F231 HydrophobicContact CE3-CB 3.54Å; W219-F231 HydrophobicContact CE3-CD2 4.17Å; W219-F231 HydrophobicContact CE3-CG 4.08Å; W219-F231 HydrophobicContact CG-CB 4.23Å; W219-F231 AromaticContact CG-CD2 3.58Å; W219-F231 HydrophobicContact CG-CD2 3.58Å; W219-F231 HydrophobicContact CG-CE2 4.4Å; W219-F231 HydrophobicContact CG-CG 4.32Å; W219-F231 HydrophobicContact CH2-CB 3.89Å; W219-F231 HydrophobicContact CZ2-CB 3.9Å; W219-F231 HydrophobicContact CZ3-CB 3.71Å; F231-H233 HydrophobicContact CE1-CB 4.39Å; F231-Y258 WeakPolarHBondContact O-CE1 3.07Å; F231-Y258 PolarHBondContact O-OH 2.73Å; F231-L280 WeakPolarHBondContact CA-O 3.44Å; F231-L280 HydrophobicContact CD2-CD2 3.76Å; F231-L280 HydrophobicContact CD2-CG 4.27Å; F231-L280 HydrophobicContact CE2-CD2 3.45Å; F231-L280 VanDerWaalsContact CE2-CD2 3.45Å; F231-L280 HydrophobicContact CE2-CG 4.17Å; F231-L280 HydrophobicContact CZ-CD2 4.09Å; F231-T282 HydrophobicContact CE1-CG2 3.62Å; F231-T282 HydrophobicContact CZ-CG2 3.55Å
232	F	94.3	Very high	81.3	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.3	178.1	-62.4	-76.9	0	0	0	109.9	Y129 F230 F234 L254 Y258 L272 L280 F281 T282	Y129-F232 HydrophobicContact CE1-CE1 4.42Å; Y129-F232 HydrophobicContact CE1-CZ 4.27Å; F230-F232 HydrophobicContact CB-CD2 4.25Å; F230-F232 HydrophobicContact CB-CE2 3.56Å; F230-F232 HydrophobicContact CB-CZ 4.05Å; F230-F232 HydrophobicContact CG-CE2 4.34Å; F232-F234 HydrophobicContact CB-CD2 4.4Å; F232-F234 HydrophobicContact CB-CE2 3.81Å; F232-L254 HydrophobicContact CD1-CD2 4.03Å; F232-L254 HydrophobicContact CD2-CD2 4.48Å; F232-L254 HydrophobicContact CE1-CB 4.05Å; F232-L254 HydrophobicContact CE1-CD1 4.5Å; F232-L254 HydrophobicContact CE1-CD2 4.21Å; F232-L254 HydrophobicContact CE1-CG 4.46Å; F232-L254 HydrophobicContact CE2-CD1 4.43Å; F232-L254 HydrophobicContact CG-CD2 4.19Å; F232-L254 HydrophobicContact CZ-CB 4.47Å; F232-L254 HydrophobicContact CZ-CD1 4.17Å; F232-L254 HydrophobicContact CZ-CD2 4.49Å; F232-Y258 HydrophobicContact CB-CE1 4.48Å; F232-Y258 AromaticContact CD1-CD1 3.52Å; F232-Y258 HydrophobicContact CD1-CD1 3.52Å; F232-Y258 AromaticContact CD1-CE1 3.67Å; F232-Y258 HydrophobicContact CD1-CE1 3.67Å; F232-Y258 HydrophobicContact CD1-CG 4.4Å; F232-Y258 HydrophobicContact CE1-CD1 4.11Å; F232-Y258 HydrophobicContact CE1-CE1 4.37Å; F232-Y258 HydrophobicContact CG-CE1 4.45Å; F232-L272 HydrophobicContact CE2-CD2 4.28Å; F232-L272 HydrophobicContact CZ-CD2 4.38Å; F232-L280 PolarHBondContact N-O 3.11Å; F232-F281 HydrophobicContact CB-CD1 3.59Å; F232-F281 HydrophobicContact CB-CE1 3.67Å; F232-F281 HydrophobicContact CB-CG 4.43Å; F232-F281 HydrophobicContact CD2-CD1 4.05Å; F232-F281 AromaticContact CD2-CE1 3.39Å; F232-F281 HydrophobicContact CD2-CE1 3.39Å; F232-F281 HydrophobicContact CD2-CE2 4.28Å; F232-F281 AromaticContact CD2-CZ 3.53Å; F232-F281 HydrophobicContact CD2-CZ 3.53Å; F232-F281 HydrophobicContact CE2-CE1 4.21Å; F232-F281 HydrophobicContact CE2-CZ 4.01Å; F232-F281 HydrophobicContact CG-CD1 4.13Å; F232-F281 AromaticContact CG-CE1 3.69Å; F232-F281 HydrophobicContact CG-CE1 3.69Å; F232-F281 HydrophobicContact CG-CZ 4.3Å; F232-F281 CarbonylContact O-C 3.55Å; F232-F281 WeakPolarHBondContact O-CA 3.23Å; F232-T282 PolarHBondContact O-N 3.36Å; F232-T282 PolarHBondContact O-OG1 3.21Å
233	H	90.9	Very high	81	Confident	32 Å²	32	55.4 Å²	55.4	15%	0.148	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.1	177.6	176.2	62.5	0	0	0	111	L137 Q216 F231 Y258 T282	L137-H233 HydrophobicContact CD2-CB 4.35Å; Q216-H233 PolarHBondContact NE2-CD2 3.31Å; Q216-H233 PolarHBondContact NE2-CE1 2.84Å; Q216-H233 VanDerWaalsContact NE2-CE1 3.32Å; Q216-H233 PolarHBondContact NE2-ND1 2.81Å; F231-H233 HydrophobicContact CE1-CB 4.39Å; H233-Y258 HydrophobicContact CB-CE2 4.1Å; H233-Y258 PolarHBondContact N-OH 2.83Å; H233-Y258 VanDerWaalsContact O-CD2 3.31Å; H233-Y258 WeakPolarHBondContact O-CD2 3.48Å; H233-Y258 VanDerWaalsContact O-CE2 3.24Å; H233-Y258 WeakPolarHBondContact O-CE2 3.18Å; H233-T282 WeakPolarHBondContact CA-OG1 3.49Å; H233-T282 WeakPolarHBondContact CB-OG1 3.3Å; H233-T282 PolarHBondContact ND1-OG1 2.99Å
234	F	88.8	Confident	80.6	Confident	3 Å²	3	55.7 Å²	55.7	1%	0.013	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.3	176.9	-64.7	-76.5	0	0	0	109.9	F232 M238 F239 L253 L254 Y258 F281 T282 F283 D284	F232-F234 HydrophobicContact CB-CD2 4.4Å; F232-F234 HydrophobicContact CB-CE2 3.81Å; F234-M238 HydrophobicContact CD1-CE 3.53Å; F234-M238 HydrophobicContact CD1-SD 4.18Å; F234-M238 HydrophobicContact CE1-CE 4.04Å; F234-M238 HydrophobicContact CG-CE 4.49Å; F234-F239 HydrophobicContact CB-CE2 4.02Å; F234-F239 HydrophobicContact CB-CZ 4.41Å; F234-F239 HydrophobicContact CG-CZ 4.44Å; F234-L253 HydrophobicContact CE1-CD1 4.28Å; F234-L253 HydrophobicContact CE1-CG 4.37Å; F234-L253 HydrophobicContact CZ-CG 4.28Å; F234-L254 HydrophobicContact CE2-CD2 4.07Å; F234-L254 HydrophobicContact CZ-CD2 3.97Å; F234-Y258 HydrophobicContact CZ-CG 4.48Å; F234-F281 HydrophobicContact CE2-CD1 4.2Å; F234-F281 HydrophobicContact CE2-CE1 4.43Å; F234-T282 PolarHBondContact N-O 2.98Å; F234-F283 HydrophobicContact CB-CD1 3.79Å; F234-F283 HydrophobicContact CB-CE1 3.97Å; F234-F283 HydrophobicContact CD2-CD1 4.32Å; F234-F283 AromaticContact CD2-CE1 3.71Å; F234-F283 HydrophobicContact CD2-CE1 3.71Å; F234-F283 HydrophobicContact CD2-CZ 4.36Å; F234-F283 HydrophobicContact CG-CD1 4.45Å; F234-F283 HydrophobicContact CG-CE1 4.15Å; F234-F283 CarbonylContact O-C 3.36Å; F234-F283 VanDerWaalsContact O-CA 3.29Å; F234-F283 WeakPolarHBondContact O-CA 3.16Å; F234-D284 PolarHBondContact O-N 3.02Å
235	R	81.8	Confident	80.6	Confident	124 Å²	124	58.8 Å²	58.8	47%	0.468	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.1	165.2	-60.6	-176.1	-175	-175.7	0.9	108	R237 M238	R235-R237 HydrophobicContact CB-CG 4Å; R235-R237 PolarHBondContact O-N 2.87Å; R235-M238 WeakPolarHBondContact O-CB 3.31Å; R235-M238 PolarHBondContact O-N 2.94Å
236	C	82.5	Confident	81.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-56.6	-36.9	-177.1	-75.4	0	0	0	0	111.9	M238 F239 D284 G285 L289	C236-M238 PolarHBondContact O-N 3.12Å; C236-F239 WeakPolarHBondContact O-CB 3.36Å; C236-F239 WeakPolarHBondContact O-CD2 3.46Å; C236-F239 PolarHBondContact O-N 3.01Å; C236-D284 PolarHBondContact N-O 3.28Å; C236-G285 WeakPolarHBondContact CB-O 3.5Å; C236-L289 HydrophobicContact CB-CD2 4.15Å; C236-L289 HydrophobicContact CB-CG 4.08Å; C236-L289 WeakPolarHBondContact O-CD2 3.39Å
237	R	72.7	Confident	82.2	Confident	114 Å²	114	57.5 Å²	57.5	43%	0.43	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-52.3	-26.6	173.8	74.5	-178	-146	166.9	10.2	115.4	R235 F239 S240 E288	R235-R237 HydrophobicContact CB-CG 4Å; R235-R237 PolarHBondContact O-N 2.87Å; R237-F239 PolarHBondContact O-N 2.87Å; R237-S240 WeakPolarHBondContact O-CB 3.48Å; R237-S240 PolarHBondContact O-N 3.45Å; R237-E288 HydrophobicContact CB-CB 3.97Å; R237-E288 WeakPolarHBondContact CB-OE2 3.33Å; R237-E288 WeakPolarHBondContact CD-OE2 3.35Å
238	M	75.7	Confident	82.7	Confident	46 Å²	46	55.8 Å²	55.8	23%	0.227	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-60.2	-36.2	176.5	-177.6	-167.8	74.4	0	0	110.7	F234 R235 C236 S240 C241 F242 L253 H257	F234-M238 HydrophobicContact CD1-CE 3.53Å; F234-M238 HydrophobicContact CD1-SD 4.18Å; F234-M238 HydrophobicContact CE1-CE 4.04Å; F234-M238 HydrophobicContact CG-CE 4.49Å; R235-M238 WeakPolarHBondContact O-CB 3.31Å; R235-M238 PolarHBondContact O-N 2.94Å; C236-M238 PolarHBondContact O-N 3.12Å; M238-S240 PolarHBondContact O-N 3.47Å; M238-C241 WeakPolarHBondContact O-CB 3.44Å; M238-C241 PolarHBondContact O-N 3.35Å; M238-C241 VanDerWaalsContact O-N 3.16Å; M238-F242 HydrophobicContact CE-CE2 4.37Å; M238-F242 HydrophobicContact CG-CE2 4.48Å; M238-L253 HydrophobicContact CE-CD1 4.05Å; M238-H257 HydrophobicContact SD-CB 4.46Å
239	F	77.5	Confident	82.9	Confident	1 Å²	1	55.8 Å²	55.8	0%	0.004	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-70.3	-24.3	-178.7	-63.6	-90.5	0	0	0	112.5	F234 C236 R237 C241 L253 F283 L289 P310 L311 L314	F234-F239 HydrophobicContact CB-CE2 4.02Å; F234-F239 HydrophobicContact CB-CZ 4.41Å; F234-F239 HydrophobicContact CG-CZ 4.44Å; C236-F239 WeakPolarHBondContact O-CB 3.36Å; C236-F239 WeakPolarHBondContact O-CD2 3.46Å; C236-F239 PolarHBondContact O-N 3.01Å; R237-F239 PolarHBondContact O-N 2.87Å; F239-C241 PolarHBondContact O-N 3.22Å; F239-L253 HydrophobicContact CE1-CD1 3.95Å; F239-L253 HydrophobicContact CE1-CD2 4.17Å; F239-L253 HydrophobicContact CZ-CD1 4.33Å; F239-L253 HydrophobicContact CZ-CD2 4.47Å; F239-F283 HydrophobicContact CE2-CD1 4.34Å; F239-F283 HydrophobicContact CE2-CE1 4.41Å; F239-F283 HydrophobicContact CZ-CE1 4.24Å; F239-L289 HydrophobicContact CB-CD2 3.94Å; F239-P310 HydrophobicContact CD1-CB 3.79Å; F239-P310 WeakPolarHBondContact CD1-O 3.48Å; F239-P310 HydrophobicContact CE1-CB 4.26Å; F239-P310 WeakPolarHBondContact CE1-O 3.14Å; F239-L311 HydrophobicContact CB-CD2 3.48Å; F239-L311 VanDerWaalsContact CB-CD2 3.48Å; F239-L311 HydrophobicContact CB-CG 4.37Å; F239-L311 HydrophobicContact CG-CD2 4.34Å; F239-L314 HydrophobicContact CD1-CB 4.29Å; F239-L314 HydrophobicContact CD2-CD2 4.07Å; F239-L314 HydrophobicContact CE1-CB 4Å; F239-L314 HydrophobicContact CE2-CD1 4.21Å; F239-L314 HydrophobicContact CE2-CD2 4.23Å; F239-L314 HydrophobicContact CG-CD2 4.22Å; F239-L314 HydrophobicContact CZ-CB 4.23Å; F239-L314 HydrophobicContact CZ-CD1 4.17Å
240	S	68.7	Low	83.2	Confident	34 Å²	34	53.9 Å²	53.9	24%	0.238	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-72.7	-13.3	173.8	-46.2	0	0	0	0	113.6	R237 M238 L289 H290	R237-S240 WeakPolarHBondContact O-CB 3.48Å; R237-S240 PolarHBondContact O-N 3.45Å; M238-S240 PolarHBondContact O-N 3.47Å; S240-L289 WeakPolarHBondContact OG-CA 3.34Å; S240-H290 PolarHBondContact OG-N 3.16Å
241	C	69.3	Low	83.2	Confident	109 Å²	109	56.1 Å²	56.1	74%	0.736	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-83.8	-11	178.8	-61.9	0	0	0	0	113.6	M238 F239	M238-C241 WeakPolarHBondContact O-CB 3.44Å; M238-C241 PolarHBondContact O-N 3.35Å; M238-C241 VanDerWaalsContact O-N 3.16Å; F239-C241 PolarHBondContact O-N 3.22Å
242	F	73	Confident	83	Confident	37 Å²	37	57.8 Å²	57.8	16%	0.162	28%	0.281	C	S	.	.	S	Bend	trans	-81.1	144.5	177.9	-65.6	-78.3	0	0	0	111.2	M238 D246 L248 H257 P310	M238-F242 HydrophobicContact CE-CE2 4.37Å; M238-F242 HydrophobicContact CG-CE2 4.48Å; F242-D246 WeakPolarHBondContact CA-OD2 3.37Å; F242-D246 HydrophobicContact CB-CB 4.29Å; F242-D246 HydrophobicContact CD1-CB 4.24Å; F242-L248 HydrophobicContact CE1-CD1 3.77Å; F242-L248 HydrophobicContact CZ-CD1 4.01Å; F242-H257 AromaticContact CE1-CE1 3.46Å; F242-H257 VanDerWaalsContact CE1-CE1 3.46Å; F242-H257 WeakPolarHBondContact CE1-CE1 3.47Å; F242-H257 AromaticContact CE1-NE2 3.83Å; F242-H257 AromaticContact CZ-CE1 3.58Å; F242-H257 AromaticContact CZ-ND1 3.67Å; F242-P310 HydrophobicContact CB-CG 4.16Å; F242-P310 HydrophobicContact CD1-CG 3.82Å; F242-P310 HydrophobicContact CD2-CB 3.66Å; F242-P310 HydrophobicContact CD2-CG 3.71Å; F242-P310 HydrophobicContact CE1-CG 4.06Å; F242-P310 HydrophobicContact CE2-CB 3.8Å; F242-P310 HydrophobicContact CE2-CG 3.97Å; F242-P310 HydrophobicContact CG-CB 4.11Å; F242-P310 HydrophobicContact CG-CG 3.63Å; F242-P310 HydrophobicContact CZ-CB 4.34Å; F242-P310 HydrophobicContact CZ-CG 4.13Å
243	K	76.7	Confident	82.8	Confident	149 Å²	149	57.8 Å²	57.8	65%	0.648	28%	0.281	S	S	*	.			trans	-78.5	152.8	171.9	-59.8	174.6	-179.2	175.5	0	109.4	S245 D246 H309	K243-S245 PolarHBondContact O-N 2.83Å; K243-D246 PolarHBondContact N-OD2 2.75Å; K243-D246 VanDerWaalsContact O-CB 3.3Å; K243-D246 WeakPolarHBondContact O-CB 3.42Å; K243-D246 PolarHBondContact O-N 2.9Å; K243-H309 PolarHBondContact O-NE2 2.82Å
244	E	78.4	Confident	82.8	Confident	176 Å²	176	56.3 Å²	56.3	82%	0.822	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.3	175.7	-65.3	-176.9	170.1	0	0	113.7	R247	E244-R247 PolarHBondContact O-NH1 2.99Å
245	S	83.5	Confident	82.8	Confident	86 Å²	86	56.5 Å²	56.5	60%	0.601	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-16.7	176.3	56.8	0	0	0	0	114.2	K243	K243-S245 PolarHBondContact O-N 2.83Å
246	D	83.9	Confident	82.8	Confident	50 Å²	50	56.9 Å²	56.9	27%	0.267	28%	0.28	S	S	.	.			trans	-70.2	136	-173.2	-64.6	-16.3	0	0	0	110	F242 K243 H309	F242-D246 WeakPolarHBondContact CA-OD2 3.37Å; F242-D246 HydrophobicContact CB-CB 4.29Å; F242-D246 HydrophobicContact CD1-CB 4.24Å; K243-D246 PolarHBondContact N-OD2 2.75Å; K243-D246 VanDerWaalsContact O-CB 3.3Å; K243-D246 WeakPolarHBondContact O-CB 3.42Å; K243-D246 PolarHBondContact O-N 2.9Å; D246-H309 PolarHBondContact O-CD2 3.13Å
247	R	90	Very high	82.6	Confident	132 Å²	132	60.2 Å²	60.2	50%	0.498	30%	0.295	S	S	.	.			trans	-133.9	126.3	-179.5	-64	-67.7	178.6	-83.1	-1.3	108.5	E244 P307 A308	E244-R247 PolarHBondContact O-NH1 2.99Å; R247-P307 HydrophobicContact CB-CB 3.86Å; R247-A308 WeakPolarHBondContact CA-O 3.22Å
248	L	89	Confident	83	Confident	22 Å²	22	56.6 Å²	56.6	12%	0.115	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-132.1	145.4	178.7	-60.4	177.9	0	0	0	108.7	F242 D252 H257 A308 P310 L313	F242-L248 HydrophobicContact CE1-CD1 3.77Å; F242-L248 HydrophobicContact CZ-CD1 4.01Å; L248-D252 HydrophobicContact CB-CB 4.2Å; L248-D252 HydrophobicContact CD2-CB 4.18Å; L248-H257 VanDerWaalsContact CD1-CD2 3.49Å; L248-H257 WeakPolarHBondContact CD1-CD2 3.32Å; L248-H257 VanDerWaalsContact CD1-NE2 3.26Å; L248-H257 WeakPolarHBondContact CD1-NE2 3.49Å; L248-A308 PolarHBondContact N-O 3.28Å; L248-A308 PolarHBondContact O-N 3.29Å; L248-A308 VanDerWaalsContact O-O 3.06Å; L248-P310 HydrophobicContact CD1-CG 3.73Å; L248-P310 HydrophobicContact CG-CG 4.16Å; L248-L313 HydrophobicContact CB-CD1 4.28Å
249	C	92	Very high	83.4	Confident	16 Å²	16	55 Å²	55	11%	0.108	28%	0.275	C	S	.	.			trans	-81.6	169.5	163	67.9	0	0	0	0	110	Q251 D252 L253	C249-Q251 VanDerWaalsContact C-N 3.28Å; C249-Q251 PolarHBondContact O-N 2.96Å; C249-D252 PolarHBondContact O-N 2.94Å; C249-D252 PolarHBondContact SG-N 3.33Å; C249-D252 VanDerWaalsContact SG-N 3.38Å; C249-L253 PolarHBondContact O-N 2.94Å; C249-L253 VanDerWaalsContact O-N 3.16Å
250	L	92.9	Very high	83.9	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-39.7	178.7	179.7	61.6	0	0	0	111.6	D252 L253 L254 F269 P304 L317 L323	L250-D252 VanDerWaalsContact C-N 3.32Å; L250-D252 PolarHBondContact O-N 2.95Å; L250-L253 PolarHBondContact O-N 3.36Å; L250-L254 HydrophobicContact CD1-CD1 4.36Å; L250-L254 HydrophobicContact CD1-CD2 4.43Å; L250-L254 HydrophobicContact CD1-CG 4.22Å; L250-L254 HydrophobicContact CG-CD1 4.23Å; L250-L254 HydrophobicContact CG-CG 4.43Å; L250-L254 WeakPolarHBondContact O-CG 3.34Å; L250-L254 PolarHBondContact O-N 2.93Å; L250-F269 HydrophobicContact CB-CZ 4.31Å; L250-F269 HydrophobicContact CD2-CE2 4.49Å; L250-F269 HydrophobicContact CD2-CZ 4.48Å; L250-F269 HydrophobicContact CG-CE2 4.33Å; L250-F269 HydrophobicContact CG-CZ 4.44Å; L250-P304 HydrophobicContact CB-CB 4.34Å; L250-P304 WeakPolarHBondContact CB-O 3.5Å; L250-P304 HydrophobicContact CD2-CB 4.22Å; L250-P304 PolarHBondContact N-O 3.24Å; L250-L317 HydrophobicContact CD1-CD1 3.93Å; L250-L317 HydrophobicContact CD1-CD2 4.05Å; L250-L317 HydrophobicContact CD1-CG 4.29Å; L250-L323 HydrophobicContact CD2-CD1 3.9Å; L250-L323 HydrophobicContact CD2-CD2 4.28Å; L250-L323 HydrophobicContact CD2-CG 3.8Å
251	Q	93	Very high	84.8	Confident	47 Å²	47	59.9 Å²	59.9	22%	0.22	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-42.6	178.1	-168	-178.1	27	0	0	111.8	C249 L253 L254 F255 P265 F269	C249-Q251 VanDerWaalsContact C-N 3.28Å; C249-Q251 PolarHBondContact O-N 2.96Å; Q251-L253 PolarHBondContact O-N 3.21Å; Q251-L254 PolarHBondContact O-N 2.85Å; Q251-F255 HydrophobicContact CG-CD2 3.47Å; Q251-F255 VanDerWaalsContact CG-CD2 3.47Å; Q251-F255 HydrophobicContact CG-CE2 3.58Å; Q251-F255 HydrophobicContact CG-CG 4.33Å; Q251-F255 HydrophobicContact CG-CZ 4.5Å; Q251-F255 WeakPolarHBondContact O-CB 3.47Å; Q251-F255 PolarHBondContact O-N 3.36Å; Q251-P265 PolarHBondContact NE2-O 3.41Å; Q251-F269 HydrophobicContact CB-CD1 4.13Å; Q251-F269 HydrophobicContact CB-CD2 3.98Å; Q251-F269 HydrophobicContact CB-CE1 3.91Å; Q251-F269 HydrophobicContact CB-CE2 3.77Å; Q251-F269 HydrophobicContact CB-CG 4.16Å; Q251-F269 HydrophobicContact CB-CZ 3.73Å; Q251-F269 HydrophobicContact CG-CB 4.28Å; Q251-F269 HydrophobicContact CG-CD1 4.09Å; Q251-F269 HydrophobicContact CG-CD2 3.88Å; Q251-F269 HydrophobicContact CG-CE1 4.39Å; Q251-F269 HydrophobicContact CG-CE2 4.21Å; Q251-F269 HydrophobicContact CG-CG 3.83Å; Q251-F269 HydrophobicContact CG-CZ 4.45Å
252	D	89.7	Confident	85.5	Confident	36 Å²	36	60.2 Å²	60.2	19%	0.193	28%	0.28	C	S	.	.	H	α-helix	trans	-63.2	-42	177.3	-79.6	-13.6	0	0	0	111.7	L248 C249 L250 L254 K256 H257	L248-D252 HydrophobicContact CB-CB 4.2Å; L248-D252 HydrophobicContact CD2-CB 4.18Å; C249-D252 PolarHBondContact O-N 2.94Å; C249-D252 PolarHBondContact SG-N 3.33Å; C249-D252 VanDerWaalsContact SG-N 3.38Å; L250-D252 VanDerWaalsContact C-N 3.32Å; L250-D252 PolarHBondContact O-N 2.95Å; D252-L254 PolarHBondContact O-N 2.82Å; D252-K256 HydrophobicContact CB-CD 4.07Å; D252-K256 WeakPolarHBondContact O-CA 3.36Å; D252-K256 VanDerWaalsContact O-CB 3.25Å; D252-K256 WeakPolarHBondContact O-CB 3.4Å; D252-K256 PolarHBondContact O-N 3.14Å; D252-K256 WeakPolarHBondContact OD1-CD 3.1Å; D252-K256 WeakPolarHBondContact OD1-CE 3.26Å; D252-K256 IonicContact OD1-NZ 3.24Å; D252-K256 PolarHBondContact OD1-NZ 2.67Å; D252-K256 IonicContact OD2-NZ 2.74Å; D252-K256 PolarHBondContact OD2-NZ 2.79Å; D252-H257 PolarHBondContact O-N 2.75Å
253	L	89.2	Confident	86	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.9	-44.1	175.6	-178.8	64.8	0	0	0	111.9	F234 M238 F239 C249 L250 Q251 H257 L313 L317	F234-L253 HydrophobicContact CE1-CD1 4.28Å; F234-L253 HydrophobicContact CE1-CG 4.37Å; F234-L253 HydrophobicContact CZ-CG 4.28Å; M238-L253 HydrophobicContact CE-CD1 4.05Å; F239-L253 HydrophobicContact CE1-CD1 3.95Å; F239-L253 HydrophobicContact CE1-CD2 4.17Å; F239-L253 HydrophobicContact CZ-CD1 4.33Å; F239-L253 HydrophobicContact CZ-CD2 4.47Å; C249-L253 PolarHBondContact O-N 2.94Å; C249-L253 VanDerWaalsContact O-N 3.16Å; L250-L253 PolarHBondContact O-N 3.36Å; Q251-L253 PolarHBondContact O-N 3.21Å; L253-H257 HydrophobicContact CD1-CB 4.38Å; L253-H257 WeakPolarHBondContact O-CB 3.42Å; L253-L313 HydrophobicContact CB-CD1 4.07Å; L253-L313 HydrophobicContact CD2-CB 4Å; L253-L313 HydrophobicContact CD2-CD1 3.99Å; L253-L317 HydrophobicContact CD2-CD1 4.34Å
254	L	90.2	Very high	86.4	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-74.9	-38	-178	-59.4	-176.7	0	0	0	113	F232 F234 L250 Q251 D252 Y258 C259 F269 L272 F281	F232-L254 HydrophobicContact CD1-CD2 4.03Å; F232-L254 HydrophobicContact CD2-CD2 4.48Å; F232-L254 HydrophobicContact CE1-CB 4.05Å; F232-L254 HydrophobicContact CE1-CD1 4.5Å; F232-L254 HydrophobicContact CE1-CD2 4.21Å; F232-L254 HydrophobicContact CE1-CG 4.46Å; F232-L254 HydrophobicContact CE2-CD1 4.43Å; F232-L254 HydrophobicContact CG-CD2 4.19Å; F232-L254 HydrophobicContact CZ-CB 4.47Å; F232-L254 HydrophobicContact CZ-CD1 4.17Å; F232-L254 HydrophobicContact CZ-CD2 4.49Å; F234-L254 HydrophobicContact CE2-CD2 4.07Å; F234-L254 HydrophobicContact CZ-CD2 3.97Å; L250-L254 HydrophobicContact CD1-CD1 4.36Å; L250-L254 HydrophobicContact CD1-CD2 4.43Å; L250-L254 HydrophobicContact CD1-CG 4.22Å; L250-L254 HydrophobicContact CG-CD1 4.23Å; L250-L254 HydrophobicContact CG-CG 4.43Å; L250-L254 WeakPolarHBondContact O-CG 3.34Å; L250-L254 PolarHBondContact O-N 2.93Å; Q251-L254 PolarHBondContact O-N 2.85Å; D252-L254 PolarHBondContact O-N 2.82Å; L254-Y258 WeakPolarHBondContact O-CB 3.12Å; L254-C259 PolarHBondContact O-N 2.85Å; L254-C259 VanDerWaalsContact O-N 3.17Å; L254-F269 HydrophobicContact CD1-CE2 4.38Å; L254-L272 HydrophobicContact CD1-CD2 3.42Å; L254-L272 VanDerWaalsContact CD1-CD2 3.42Å; L254-F281 HydrophobicContact CD2-CE1 3.6Å; L254-F281 HydrophobicContact CD2-CZ 4.26Å
255	F	90.2	Very high	86.9	Confident	8 Å²	8	53.3 Å²	53.3	4%	0.035	25%	0.251	C	S	.	.	H	α-helix	trans	-98.4	-45.5	-170.5	-62.9	-12.9	0	0	0	112.8	Y129 Q251 C259 Y260 P261 P265 V268 F269	Y129-F255 HydrophobicContact CE1-CE1 4.05Å; Y129-F255 AromaticContact CZ-CE1 3.89Å; Y129-F255 WeakPolarHBondContact OH-CD1 3.28Å; Q251-F255 HydrophobicContact CG-CD2 3.47Å; Q251-F255 VanDerWaalsContact CG-CD2 3.47Å; Q251-F255 HydrophobicContact CG-CE2 3.58Å; Q251-F255 HydrophobicContact CG-CG 4.33Å; Q251-F255 HydrophobicContact CG-CZ 4.5Å; Q251-F255 WeakPolarHBondContact O-CB 3.47Å; Q251-F255 PolarHBondContact O-N 3.36Å; F255-C259 WeakPolarHBondContact CA-O 3.48Å; F255-C259 CarbonylContact O-C 3.22Å; F255-Y260 HydrophobicContact CB-CD2 3.8Å; F255-Y260 HydrophobicContact CB-CE2 4.32Å; F255-Y260 HydrophobicContact CB-CG 4.47Å; F255-Y260 WeakPolarHBondContact O-CA 3.39Å; F255-Y260 PolarHBondContact O-N 2.86Å; F255-Y260 VanDerWaalsContact O-N 3.1Å; F255-P261 HydrophobicContact CD1-CG 3.95Å; F255-P261 HydrophobicContact CD2-CG 3.94Å; F255-P261 HydrophobicContact CE1-CG 3.76Å; F255-P261 HydrophobicContact CE2-CG 3.73Å; F255-P261 VanDerWaalsContact CG-CD 3.47Å; F255-P261 HydrophobicContact CG-CG 4.06Å; F255-P261 HydrophobicContact CZ-CG 3.65Å; F255-P265 HydrophobicContact CD2-CB 4.22Å; F255-P265 HydrophobicContact CE2-CB 4.06Å; F255-P265 WeakPolarHBondContact CE2-O 3.45Å; F255-V268 HydrophobicContact CE1-CG1 4.48Å; F255-V268 HydrophobicContact CZ-CB 4.45Å; F255-V268 HydrophobicContact CZ-CG1 4.04Å; F255-F269 HydrophobicContact CE2-CB 3.94Å; F255-F269 HydrophobicContact CE2-CD2 4.46Å; F255-F269 HydrophobicContact CZ-CB 3.98Å; F255-F269 HydrophobicContact CZ-CD2 4.22Å
256	K	80.8	Confident	87.1	Confident	131 Å²	131	56.4 Å²	56.4	57%	0.57	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-36.7	-179.2	-62	176	177.4	157.6	0	112.2	D252	D252-K256 HydrophobicContact CB-CD 4.07Å; D252-K256 WeakPolarHBondContact O-CA 3.36Å; D252-K256 VanDerWaalsContact O-CB 3.25Å; D252-K256 WeakPolarHBondContact O-CB 3.4Å; D252-K256 PolarHBondContact O-N 3.14Å; D252-K256 WeakPolarHBondContact OD1-CD 3.1Å; D252-K256 WeakPolarHBondContact OD1-CE 3.26Å; D252-K256 IonicContact OD1-NZ 3.24Å; D252-K256 PolarHBondContact OD1-NZ 2.67Å; D252-K256 IonicContact OD2-NZ 2.74Å; D252-K256 PolarHBondContact OD2-NZ 2.79Å
257	H	79	Confident	87.2	Confident	70 Å²	70	58 Å²	58	32%	0.324	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-6	-176.1	-67.3	-80	0	0	0	114.6	M238 F242 L248 D252 L253	M238-H257 HydrophobicContact SD-CB 4.46Å; F242-H257 AromaticContact CE1-CE1 3.46Å; F242-H257 VanDerWaalsContact CE1-CE1 3.46Å; F242-H257 WeakPolarHBondContact CE1-CE1 3.47Å; F242-H257 AromaticContact CE1-NE2 3.83Å; F242-H257 AromaticContact CZ-CE1 3.58Å; F242-H257 AromaticContact CZ-ND1 3.67Å; L248-H257 VanDerWaalsContact CD1-CD2 3.49Å; L248-H257 WeakPolarHBondContact CD1-CD2 3.32Å; L248-H257 VanDerWaalsContact CD1-NE2 3.26Å; L248-H257 WeakPolarHBondContact CD1-NE2 3.49Å; D252-H257 PolarHBondContact O-N 2.75Å; L253-H257 HydrophobicContact CD1-CB 4.38Å; L253-H257 WeakPolarHBondContact O-CB 3.42Å
258	Y	79.9	Confident	87.1	Confident	38 Å²	38	51.9 Å²	51.9	15%	0.149	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.1	-73.1	175.7	-180	-104.9	0	0	0	112.9	L133 L137 F231 F232 H233 F234 L254	L133-Y258 HydrophobicContact CD2-CD1 4.16Å; L133-Y258 HydrophobicContact CD2-CE1 3.55Å; L137-Y258 VanDerWaalsContact CD1-OH 3.26Å; L137-Y258 WeakPolarHBondContact CD1-OH 3.37Å; L137-Y258 VanDerWaalsContact CD2-OH 3.28Å; L137-Y258 WeakPolarHBondContact CD2-OH 3.07Å; L137-Y258 VanDerWaalsContact CG-OH 3.28Å; L137-Y258 WeakPolarHBondContact CG-OH 3.25Å; F231-Y258 WeakPolarHBondContact O-CE1 3.07Å; F231-Y258 PolarHBondContact O-OH 2.73Å; F232-Y258 HydrophobicContact CB-CE1 4.48Å; F232-Y258 AromaticContact CD1-CD1 3.52Å; F232-Y258 HydrophobicContact CD1-CD1 3.52Å; F232-Y258 AromaticContact CD1-CE1 3.67Å; F232-Y258 HydrophobicContact CD1-CE1 3.67Å; F232-Y258 HydrophobicContact CD1-CG 4.4Å; F232-Y258 HydrophobicContact CE1-CD1 4.11Å; F232-Y258 HydrophobicContact CE1-CE1 4.37Å; F232-Y258 HydrophobicContact CG-CE1 4.45Å; H233-Y258 HydrophobicContact CB-CE2 4.1Å; H233-Y258 PolarHBondContact N-OH 2.83Å; H233-Y258 VanDerWaalsContact O-CD2 3.31Å; H233-Y258 WeakPolarHBondContact O-CD2 3.48Å; H233-Y258 VanDerWaalsContact O-CE2 3.24Å; H233-Y258 WeakPolarHBondContact O-CE2 3.18Å; F234-Y258 HydrophobicContact CZ-CG 4.48Å; L254-Y258 WeakPolarHBondContact O-CB 3.12Å
259	C	84.7	Confident	87.3	Confident	13 Å²	13	51.1 Å²	51.1	9%	0.088	24%	0.235	C	C	.	.			trans	-151.8	119.6	-179.6	-167.6	0	0	0	0	112.3	Y129 Q132 L133 L254 F255	Y129-C259 HydrophobicContact CE2-CB 4.42Å; Y129-C259 VanDerWaalsContact CE2-O 3.29Å; Y129-C259 WeakPolarHBondContact CE2-O 3.45Å; Y129-C259 PolarHBondContact OH-O 3.24Å; Q132-C259 PolarHBondContact NE2-SG 3.31Å; L133-C259 HydrophobicContact CD2-CB 3.62Å; L254-C259 PolarHBondContact O-N 2.85Å; L254-C259 VanDerWaalsContact O-N 3.17Å; F255-C259 WeakPolarHBondContact CA-O 3.48Å; F255-C259 CarbonylContact O-C 3.22Å
260	Y	88.1	Confident	87.1	Confident	134 Å²	134	53 Å²	53	53%	0.525	25%	0.252	S	S	.	.			trans	-84.9	128.1	-176.3	-162.6	-85.1	0	0	0	111.8	Q132 F255 P265	Q132-Y260 PolarHBondContact NE2-O 3.27Å; Q132-Y260 PolarHBondContact OE1-O 3.02Å; F255-Y260 HydrophobicContact CB-CD2 3.8Å; F255-Y260 HydrophobicContact CB-CE2 4.32Å; F255-Y260 HydrophobicContact CB-CG 4.47Å; F255-Y260 WeakPolarHBondContact O-CA 3.39Å; F255-Y260 PolarHBondContact O-N 2.86Å; F255-Y260 VanDerWaalsContact O-N 3.1Å; Y260-P265 HydrophobicContact CE1-CB 4.45Å; Y260-P265 HydrophobicContact CE1-CG 4.36Å
261	P	87.9	Confident	86.9	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.019	26%	0.26	C	S	.	.			trans	-62.8	132.4	177.3	-20.3	30.1	0	0	0	113.3	Y129 F255 R263 P265 V268	Y129-P261 HydrophobicContact CD2-CB 3.74Å; Y129-P261 HydrophobicContact CD2-CG 3.72Å; Y129-P261 HydrophobicContact CE2-CB 4.13Å; Y129-P261 HydrophobicContact CE2-CG 3.65Å; Y129-P261 HydrophobicContact CG-CB 4.24Å; Y129-P261 HydrophobicContact CG-CG 4.2Å; F255-P261 HydrophobicContact CD1-CG 3.95Å; F255-P261 HydrophobicContact CD2-CG 3.94Å; F255-P261 HydrophobicContact CE1-CG 3.76Å; F255-P261 HydrophobicContact CE2-CG 3.73Å; F255-P261 VanDerWaalsContact CG-CD 3.47Å; F255-P261 HydrophobicContact CG-CG 4.06Å; F255-P261 HydrophobicContact CZ-CG 3.65Å; P261-R263 VanDerWaalsContact C-N 3.35Å; P261-R263 PolarHBondContact O-N 3.46Å; P261-P265 HydrophobicContact CB-CB 4.19Å; P261-P265 HydrophobicContact CG-CB 4.05Å; P261-V268 HydrophobicContact CB-CG2 4.26Å; P261-V268 HydrophobicContact CG-CB 4.34Å; P261-V268 HydrophobicContact CG-CG1 4.18Å
262	E	84.2	Confident	86.7	Confident	116 Å²	116	52.7 Å²	52.7	54%	0.542	25%	0.25	S	S	.	.	S	Bend	trans	-69.1	-29.9	178.1	-68.7	177.8	-176.3	0	0	114.2	R128	R128-E262 IonicContact CZ-OE2 2.86Å; R128-E262 VanDerWaalsContact CZ-OE2 3.24Å; R128-E262 IonicContact NE-OE2 2.72Å; R128-E262 PolarHBondContact NE-OE2 3.4Å; R128-E262 IonicContact NH2-OE2 3.64Å; R128-E262 PolarHBondContact NH2-OE2 3.38Å
263	R	82.5	Confident	86.8	Confident	109 Å²	109	53.6 Å²	53.6	41%	0.411	25%	0.254	S	S	.	.	S	Bend	trans	-132.4	136.1	-177.3	-68.8	-169.4	177.4	-167.9	-3.9	109.7	P261	P261-R263 VanDerWaalsContact C-N 3.35Å; P261-R263 PolarHBondContact O-N 3.46Å
264	D	86	Confident	86.7	Confident	78 Å²	78	62.3 Å²	62.3	42%	0.417	29%	0.287	S	S	.	.			trans	37.5	70.8	175	-156	-26.1	0	0	0	114.4	P125 E266 E267 V268	P125-D264 HydrophobicContact CB-CB 4.12Å; P125-D264 HydrophobicContact CG-CB 4.02Å; D264-E266 PolarHBondContact O-N 3.02Å; D264-E266 PolarHBondContact OD1-N 2.59Å; D264-E267 HydrophobicContact CB-CB 4.05Å; D264-E267 VanDerWaalsContact CG-CB 3.49Å; D264-E267 PolarHBondContact O-N 3.41Å; D264-E267 PolarHBondContact OD1-N 2.94Å; D264-V268 WeakPolarHBondContact O-CG2 3.48Å; D264-V268 PolarHBondContact O-N 3.06Å; D264-V268 VanDerWaalsContact O-N 3.17Å
265	P	87.5	Confident	86.5	Confident	30 Å²	30	64.6 Å²	64.6	20%	0.195	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-22.4	179.2	27.1	-35.2	0	0	0	112.7	Q251 F255 Y260 P261 F269	Q251-P265 PolarHBondContact NE2-O 3.41Å; F255-P265 HydrophobicContact CD2-CB 4.22Å; F255-P265 HydrophobicContact CE2-CB 4.06Å; F255-P265 WeakPolarHBondContact CE2-O 3.45Å; Y260-P265 HydrophobicContact CE1-CB 4.45Å; Y260-P265 HydrophobicContact CE1-CG 4.36Å; P261-P265 HydrophobicContact CB-CB 4.19Å; P261-P265 HydrophobicContact CG-CB 4.05Å; P265-F269 WeakPolarHBondContact O-CB 3.47Å; P265-F269 PolarHBondContact O-N 3.12Å; P265-F269 VanDerWaalsContact O-N 3.1Å
266	E	88.1	Confident	86.5	Confident	151 Å²	151	65.2 Å²	65.2	71%	0.706	30%	0.302	S	S	*	.	H	α-helix	trans	-71.6	-46.9	176.9	-64.4	-176.4	-174.2	0	0	110.7	D264 V268 F269 A270	D264-E266 PolarHBondContact O-N 3.02Å; D264-E266 PolarHBondContact OD1-N 2.59Å; E266-V268 PolarHBondContact O-N 3.27Å; E266-F269 PolarHBondContact O-N 2.89Å; E266-A270 VanDerWaalsContact O-CB 3.31Å; E266-A270 WeakPolarHBondContact O-CB 3.44Å; E266-A270 PolarHBondContact O-N 3.13Å
267	E	86.6	Confident	86.9	Confident	85 Å²	85	64.4 Å²	64.4	40%	0.397	30%	0.3	S	S	.	.	H	α-helix	trans	-61.8	-43.7	175.9	-175.1	175.7	-174	0	0	111.9	P125 D264 F269 A270 F271	P125-E267 VanDerWaalsContact CG-OE2 3.29Å; P125-E267 WeakPolarHBondContact CG-OE2 3.12Å; D264-E267 HydrophobicContact CB-CB 4.05Å; D264-E267 VanDerWaalsContact CG-CB 3.49Å; D264-E267 PolarHBondContact O-N 3.41Å; D264-E267 PolarHBondContact OD1-N 2.94Å; E267-F269 VanDerWaalsContact C-N 3.34Å; E267-F269 PolarHBondContact O-N 2.78Å; E267-A270 PolarHBondContact O-N 2.74Å; E267-F271 WeakPolarHBondContact O-CB 3.19Å; E267-F271 PolarHBondContact O-N 2.91Å
268	V	88.5	Confident	87.4	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-60.8	-44.5	177.9	175.1	0	0	0	0	111.1	P125 Y129 F230 F255 P261 D264 E266 F271 L272	P125-V268 HydrophobicContact CB-CG2 3.96Å; Y129-V268 HydrophobicContact CD1-CG1 3.36Å; Y129-V268 HydrophobicContact CE1-CG1 3.94Å; Y129-V268 HydrophobicContact CG-CG1 3.83Å; F230-V268 HydrophobicContact CZ-CG1 4.35Å; F255-V268 HydrophobicContact CE1-CG1 4.48Å; F255-V268 HydrophobicContact CZ-CB 4.45Å; F255-V268 HydrophobicContact CZ-CG1 4.04Å; P261-V268 HydrophobicContact CB-CG2 4.26Å; P261-V268 HydrophobicContact CG-CB 4.34Å; P261-V268 HydrophobicContact CG-CG1 4.18Å; D264-V268 WeakPolarHBondContact O-CG2 3.48Å; D264-V268 PolarHBondContact O-N 3.06Å; D264-V268 VanDerWaalsContact O-N 3.17Å; E266-V268 PolarHBondContact O-N 3.27Å; V268-F271 PolarHBondContact O-N 2.79Å; V268-L272 PolarHBondContact O-N 3.15Å; V268-L272 VanDerWaalsContact O-N 3.08Å
269	F	92.4	Very high	88	Confident	6 Å²	6	59.9 Å²	59.9	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-68.5	-42.1	178.5	-169.1	-117.7	0	0	0	111.8	L250 Q251 L254 F255 P265 E266 E267 F271 L272 L273 P304 W305	L250-F269 HydrophobicContact CB-CZ 4.31Å; L250-F269 HydrophobicContact CD2-CE2 4.49Å; L250-F269 HydrophobicContact CD2-CZ 4.48Å; L250-F269 HydrophobicContact CG-CE2 4.33Å; L250-F269 HydrophobicContact CG-CZ 4.44Å; Q251-F269 HydrophobicContact CB-CD1 4.13Å; Q251-F269 HydrophobicContact CB-CD2 3.98Å; Q251-F269 HydrophobicContact CB-CE1 3.91Å; Q251-F269 HydrophobicContact CB-CE2 3.77Å; Q251-F269 HydrophobicContact CB-CG 4.16Å; Q251-F269 HydrophobicContact CB-CZ 3.73Å; Q251-F269 HydrophobicContact CG-CB 4.28Å; Q251-F269 HydrophobicContact CG-CD1 4.09Å; Q251-F269 HydrophobicContact CG-CD2 3.88Å; Q251-F269 HydrophobicContact CG-CE1 4.39Å; Q251-F269 HydrophobicContact CG-CE2 4.21Å; Q251-F269 HydrophobicContact CG-CG 3.83Å; Q251-F269 HydrophobicContact CG-CZ 4.45Å; L254-F269 HydrophobicContact CD1-CE2 4.38Å; F255-F269 HydrophobicContact CE2-CB 3.94Å; F255-F269 HydrophobicContact CE2-CD2 4.46Å; F255-F269 HydrophobicContact CZ-CB 3.98Å; F255-F269 HydrophobicContact CZ-CD2 4.22Å; P265-F269 WeakPolarHBondContact O-CB 3.47Å; P265-F269 PolarHBondContact O-N 3.12Å; P265-F269 VanDerWaalsContact O-N 3.1Å; E266-F269 PolarHBondContact O-N 2.89Å; E267-F269 VanDerWaalsContact C-N 3.34Å; E267-F269 PolarHBondContact O-N 2.78Å; F269-F271 VanDerWaalsContact C-N 3.29Å; F269-F271 PolarHBondContact O-N 3.27Å; F269-L272 HydrophobicContact CD2-CD2 4.45Å; F269-L272 PolarHBondContact O-N 3.33Å; F269-L273 HydrophobicContact CD1-CD1 3.99Å; F269-L273 HydrophobicContact CD1-CG 4.39Å; F269-L273 HydrophobicContact CE1-CD1 3.7Å; F269-L273 HydrophobicContact CE1-CD2 4.42Å; F269-L273 HydrophobicContact CE1-CG 4.16Å; F269-L273 HydrophobicContact CZ-CD1 4.25Å; F269-L273 HydrophobicContact CZ-CD2 4.14Å; F269-L273 HydrophobicContact CZ-CG 4.29Å; F269-L273 WeakPolarHBondContact O-CG 3.38Å; F269-L273 PolarHBondContact O-N 3.38Å; F269-P304 HydrophobicContact CE1-CB 4.27Å; F269-P304 HydrophobicContact CZ-CB 3.91Å; F269-W305 AromaticContact CE1-CD1 3.96Å; F269-W305 AromaticContact CE1-NE1 3.78Å
270	A	88.3	Confident	88.5	Confident	55 Å²	55	59.3 Å²	59.3	46%	0.455	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-38.9	175.1	0	0	0	0	0	112	E266 E267 L273 R274	E266-A270 VanDerWaalsContact O-CB 3.31Å; E266-A270 WeakPolarHBondContact O-CB 3.44Å; E266-A270 PolarHBondContact O-N 3.13Å; E267-A270 PolarHBondContact O-N 2.74Å; A270-L273 PolarHBondContact O-N 3.44Å; A270-R274 WeakPolarHBondContact O-CB 3.35Å; A270-R274 PolarHBondContact O-N 3.17Å
271	F	87.4	Confident	88.9	Confident	40 Å²	40	52.9 Å²	52.9	18%	0.175	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-46.4	174.2	-177.8	-84.8	0	0	0	111.9	V126 K229 F230 E267 V268 F269 L273 R274 F275 V278	V126-F271 HydrophobicContact CB-CG 4.46Å; V126-F271 HydrophobicContact CG1-CD1 3.76Å; V126-F271 HydrophobicContact CG1-CD2 4.34Å; V126-F271 HydrophobicContact CG1-CE1 3.8Å; V126-F271 HydrophobicContact CG1-CE2 4.37Å; V126-F271 HydrophobicContact CG1-CG 4.06Å; V126-F271 HydrophobicContact CG1-CZ 4.12Å; V126-F271 HydrophobicContact CG2-CB 3.6Å; V126-F271 HydrophobicContact CG2-CD1 4.06Å; V126-F271 HydrophobicContact CG2-CD2 3.88Å; V126-F271 HydrophobicContact CG2-CG 3.57Å; K229-F271 HydrophobicContact CD-CE1 4.23Å; K229-F271 HydrophobicContact CD-CZ 4.26Å; F230-F271 AromaticContact CE2-CD1 3.79Å; F230-F271 HydrophobicContact CE2-CD1 3.79Å; F230-F271 HydrophobicContact CE2-CE1 4.14Å; F230-F271 AromaticContact CZ-CD1 3.94Å; F230-F271 HydrophobicContact CZ-CD1 3.94Å; F230-F271 HydrophobicContact CZ-CE1 4.37Å; E267-F271 WeakPolarHBondContact O-CB 3.19Å; E267-F271 PolarHBondContact O-N 2.91Å; V268-F271 PolarHBondContact O-N 2.79Å; F269-F271 VanDerWaalsContact C-N 3.29Å; F269-F271 PolarHBondContact O-N 3.27Å; F271-L273 VanDerWaalsContact C-N 3.34Å; F271-L273 PolarHBondContact O-N 3.07Å; F271-R274 PolarHBondContact O-N 2.92Å; F271-F275 HydrophobicContact CD1-CD2 4.37Å; F271-F275 AromaticContact CD2-CD2 3.86Å; F271-F275 HydrophobicContact CD2-CD2 3.86Å; F271-F275 HydrophobicContact CD2-CE2 4.08Å; F271-F275 HydrophobicContact CE1-CB 4.4Å; F271-F275 HydrophobicContact CE1-CD2 4.08Å; F271-F275 AromaticContact CE2-CD2 3.54Å; F271-F275 HydrophobicContact CE2-CD2 3.54Å; F271-F275 AromaticContact CE2-CE2 3.74Å; F271-F275 HydrophobicContact CE2-CE2 3.74Å; F271-F275 HydrophobicContact CG-CD2 4.26Å; F271-F275 AromaticContact CZ-CD2 3.65Å; F271-F275 HydrophobicContact CZ-CD2 3.65Å; F271-F275 HydrophobicContact CZ-CE2 4.25Å; F271-F275 HydrophobicContact CZ-CG 4.42Å; F271-F275 PolarHBondContact O-N 2.97Å; F271-V278 HydrophobicContact CE1-CG2 4.19Å
272	L	90.4	Very high	89.2	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-59.3	-43.3	177.1	173.9	64	0	0	0	111.9	F230 F232 L254 V268 F269 R274 F275 P276 A279 L323	F230-L272 HydrophobicContact CD2-CB 4.45Å; F230-L272 HydrophobicContact CD2-CD1 3.74Å; F230-L272 HydrophobicContact CE2-CB 4.03Å; F230-L272 HydrophobicContact CE2-CD1 4.15Å; F232-L272 HydrophobicContact CE2-CD2 4.28Å; F232-L272 HydrophobicContact CZ-CD2 4.38Å; L254-L272 HydrophobicContact CD1-CD2 3.42Å; L254-L272 VanDerWaalsContact CD1-CD2 3.42Å; V268-L272 PolarHBondContact O-N 3.15Å; V268-L272 VanDerWaalsContact O-N 3.08Å; F269-L272 HydrophobicContact CD2-CD2 4.45Å; F269-L272 PolarHBondContact O-N 3.33Å; L272-R274 VanDerWaalsContact C-N 3.3Å; L272-R274 PolarHBondContact O-N 3.49Å; L272-F275 CarbonylContact O-C 3.48Å; L272-F275 PolarHBondContact O-N 3.02Å; L272-P276 WeakPolarHBondContact O-CA 3.45Å; L272-A279 HydrophobicContact CD1-CB 3.61Å; L272-L323 HydrophobicContact CD1-CD1 4.45Å; L272-L323 HydrophobicContact CD2-CD1 4.19Å; L272-L323 HydrophobicContact CG-CD1 4.37Å; L272-L323 HydrophobicContact CG-CD2 4.13Å
273	L	90.7	Very high	89.7	Confident	54 Å²	54	47.2 Å²	47.2	28%	0.283	23%	0.226	S	C	.	.	H	α-helix	trans	-64	-35.2	176.7	-68.2	-178.5	0	0	0	112.4	F269 A270 F271 P304 W305 L323	F269-L273 HydrophobicContact CD1-CD1 3.99Å; F269-L273 HydrophobicContact CD1-CG 4.39Å; F269-L273 HydrophobicContact CE1-CD1 3.7Å; F269-L273 HydrophobicContact CE1-CD2 4.42Å; F269-L273 HydrophobicContact CE1-CG 4.16Å; F269-L273 HydrophobicContact CZ-CD1 4.25Å; F269-L273 HydrophobicContact CZ-CD2 4.14Å; F269-L273 HydrophobicContact CZ-CG 4.29Å; F269-L273 WeakPolarHBondContact O-CG 3.38Å; F269-L273 PolarHBondContact O-N 3.38Å; A270-L273 PolarHBondContact O-N 3.44Å; F271-L273 VanDerWaalsContact C-N 3.34Å; F271-L273 PolarHBondContact O-N 3.07Å; L273-P304 HydrophobicContact CD1-CB 4.38Å; L273-P304 HydrophobicContact CD1-CG 4.32Å; L273-P304 HydrophobicContact CD2-CB 3.8Å; L273-P304 HydrophobicContact CD2-CG 3.54Å; L273-W305 HydrophobicContact CD1-CZ2 4.33Å; L273-L323 HydrophobicContact CD2-CD2 3.82Å
274	R	86.5	Confident	90.1	Very high	184 Å²	184	42.8 Å²	42.8	69%	0.694	21%	0.21	S	C	*	.	H	α-helix	trans	-75.2	-32.7	178.1	-172.7	158.9	66.1	174.9	-0.9	113	A270 F271 L272 P276	A270-R274 WeakPolarHBondContact O-CB 3.35Å; A270-R274 PolarHBondContact O-N 3.17Å; F271-R274 PolarHBondContact O-N 2.92Å; L272-R274 VanDerWaalsContact C-N 3.3Å; L272-R274 PolarHBondContact O-N 3.49Å; R274-P276 VanDerWaalsContact C-CD 3.49Å
275	F	87.3	Confident	89.9	Confident	47 Å²	47	39.2 Å²	39.2	21%	0.206	19%	0.191	C	C	.	.			trans	-129	63.9	-176.7	-56.8	-68.1	0	0	0	112.4	F271 L272 H277 V278	F271-F275 HydrophobicContact CD1-CD2 4.37Å; F271-F275 AromaticContact CD2-CD2 3.86Å; F271-F275 HydrophobicContact CD2-CD2 3.86Å; F271-F275 HydrophobicContact CD2-CE2 4.08Å; F271-F275 HydrophobicContact CE1-CB 4.4Å; F271-F275 HydrophobicContact CE1-CD2 4.08Å; F271-F275 AromaticContact CE2-CD2 3.54Å; F271-F275 HydrophobicContact CE2-CD2 3.54Å; F271-F275 AromaticContact CE2-CE2 3.74Å; F271-F275 HydrophobicContact CE2-CE2 3.74Å; F271-F275 HydrophobicContact CG-CD2 4.26Å; F271-F275 AromaticContact CZ-CD2 3.65Å; F271-F275 HydrophobicContact CZ-CD2 3.65Å; F271-F275 HydrophobicContact CZ-CE2 4.25Å; F271-F275 HydrophobicContact CZ-CG 4.42Å; F271-F275 PolarHBondContact O-N 2.97Å; L272-F275 CarbonylContact O-C 3.48Å; L272-F275 PolarHBondContact O-N 3.02Å; F275-H277 VanDerWaalsContact C-N 3.26Å; F275-H277 AromaticContact CD1-CE1 3.97Å; F275-H277 PolarHBondContact O-N 3.25Å; F275-V278 HydrophobicContact CB-CG1 4.18Å; F275-V278 HydrophobicContact CB-CG2 4.38Å; F275-V278 WeakPolarHBondContact O-CG2 3.49Å; F275-V278 PolarHBondContact O-N 2.98Å
276	P	90.8	Very high	89.9	Confident	22 Å²	22	38.7 Å²	38.7	14%	0.143	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-62.3	-29.6	-175.3	23.3	-34.4	0	0	0	113.9	L272 R274 V278 A279 L323 K324 A326	L272-P276 WeakPolarHBondContact O-CA 3.45Å; R274-P276 VanDerWaalsContact C-CD 3.49Å; P276-V278 PolarHBondContact O-N 3.02Å; P276-V278 VanDerWaalsContact O-N 3.09Å; P276-A279 WeakPolarHBondContact O-CB 3.26Å; P276-A279 PolarHBondContact O-N 3.06Å; P276-L323 HydrophobicContact CB-CB 4.17Å; P276-L323 HydrophobicContact CB-CD2 4.29Å; P276-K324 WeakPolarHBondContact CB-O 3.28Å; P276-K324 WeakPolarHBondContact CG-O 3.42Å; P276-A326 HydrophobicContact CB-CB 4.39Å; P276-A326 VanDerWaalsContact O-CA 3.24Å; P276-A326 WeakPolarHBondContact O-CA 3.49Å; P276-A326 WeakPolarHBondContact O-CB 3.41Å
277	H	88.9	Confident	89.4	Confident	114 Å²	114	32.7 Å²	32.7	53%	0.528	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-61.8	-18	-179.5	62.7	-90.1	0	0	0	114.5	F275 A279 G325	F275-H277 VanDerWaalsContact C-N 3.26Å; F275-H277 AromaticContact CD1-CE1 3.97Å; F275-H277 PolarHBondContact O-N 3.25Å; H277-A279 PolarHBondContact O-N 2.85Å; H277-G325 WeakPolarHBondContact CA-O 3.28Å
278	V	89.1	Confident	88.7	Confident	13 Å²	13	31.4 Å²	31.4	8%	0.079	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-81	-1.5	175.8	-50.4	0	0	0	0	112.7	V228 K229 F230 F271 F275 P276	V228-V278 CarbonylContact C-O 3.5Å; V228-V278 WeakPolarHBondContact CA-O 3.5Å; K229-V278 HydrophobicContact CB-CB 4.03Å; K229-V278 HydrophobicContact CB-CG2 4.03Å; K229-V278 HydrophobicContact CG-CB 4.23Å; K229-V278 PolarHBondContact N-O 2.88Å; F230-V278 HydrophobicContact CD2-CG2 3.96Å; F230-V278 HydrophobicContact CE2-CG2 4.21Å; F230-V278 PolarHBondContact N-O 3.2Å; F271-V278 HydrophobicContact CE1-CG2 4.19Å; F275-V278 HydrophobicContact CB-CG1 4.18Å; F275-V278 HydrophobicContact CB-CG2 4.38Å; F275-V278 WeakPolarHBondContact O-CG2 3.49Å; F275-V278 PolarHBondContact O-N 2.98Å; P276-V278 PolarHBondContact O-N 3.02Å; P276-V278 VanDerWaalsContact O-N 3.09Å
279	A	93.1	Very high	87.9	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	136.2	-179	0	0	0	0	0	111.9	F230 L272 P276 H277 F281 A326 S327	F230-A279 HydrophobicContact CB-CB 4.31Å; F230-A279 CarbonylContact O-C 3.56Å; F230-A279 WeakPolarHBondContact O-CA 3.49Å; L272-A279 HydrophobicContact CD1-CB 3.61Å; P276-A279 WeakPolarHBondContact O-CB 3.26Å; P276-A279 PolarHBondContact O-N 3.06Å; H277-A279 PolarHBondContact O-N 2.85Å; A279-F281 HydrophobicContact CB-CE2 3.78Å; A279-F281 HydrophobicContact CB-CZ 4.36Å; A279-A326 HydrophobicContact CB-CB 4.17Å; A279-S327 PolarHBondContact O-N 2.8Å
280	L	94.7	Very high	86.5	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.4	172	172.4	56.5	0	0	0	109.8	L184 V228 F230 F231 F232 S327 L329	L184-L280 HydrophobicContact CD1-CD2 4Å; L184-L280 HydrophobicContact CD2-CD1 4.22Å; L184-L280 HydrophobicContact CD2-CD2 4.33Å; V228-L280 HydrophobicContact CB-CB 4.48Å; V228-L280 HydrophobicContact CG1-CB 3.6Å; V228-L280 HydrophobicContact CG2-CB 3.97Å; V228-L280 HydrophobicContact CG2-CD2 4.46Å; F230-L280 PolarHBondContact O-N 3.43Å; F231-L280 WeakPolarHBondContact CA-O 3.44Å; F231-L280 HydrophobicContact CD2-CD2 3.76Å; F231-L280 HydrophobicContact CD2-CG 4.27Å; F231-L280 HydrophobicContact CE2-CD2 3.45Å; F231-L280 VanDerWaalsContact CE2-CD2 3.45Å; F231-L280 HydrophobicContact CE2-CG 4.17Å; F231-L280 HydrophobicContact CZ-CD2 4.09Å; F232-L280 PolarHBondContact N-O 3.11Å; L280-S327 WeakPolarHBondContact CA-O 3.39Å; L280-L329 HydrophobicContact CD1-CD1 3.68Å
281	F	96.1	Very high	84.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.6	174.5	-64.9	-90.8	0	0	0	110	F232 F234 L254 A279 F283 L323 A326 S327 K328 L329	F232-F281 HydrophobicContact CB-CD1 3.59Å; F232-F281 HydrophobicContact CB-CE1 3.67Å; F232-F281 HydrophobicContact CB-CG 4.43Å; F232-F281 HydrophobicContact CD2-CD1 4.05Å; F232-F281 AromaticContact CD2-CE1 3.39Å; F232-F281 HydrophobicContact CD2-CE1 3.39Å; F232-F281 HydrophobicContact CD2-CE2 4.28Å; F232-F281 AromaticContact CD2-CZ 3.53Å; F232-F281 HydrophobicContact CD2-CZ 3.53Å; F232-F281 HydrophobicContact CE2-CE1 4.21Å; F232-F281 HydrophobicContact CE2-CZ 4.01Å; F232-F281 HydrophobicContact CG-CD1 4.13Å; F232-F281 AromaticContact CG-CE1 3.69Å; F232-F281 HydrophobicContact CG-CE1 3.69Å; F232-F281 HydrophobicContact CG-CZ 4.3Å; F232-F281 CarbonylContact O-C 3.55Å; F232-F281 WeakPolarHBondContact O-CA 3.23Å; F234-F281 HydrophobicContact CE2-CD1 4.2Å; F234-F281 HydrophobicContact CE2-CE1 4.43Å; L254-F281 HydrophobicContact CD2-CE1 3.6Å; L254-F281 HydrophobicContact CD2-CZ 4.26Å; A279-F281 HydrophobicContact CB-CE2 3.78Å; A279-F281 HydrophobicContact CB-CZ 4.36Å; F281-F283 HydrophobicContact CB-CD2 4.32Å; F281-F283 HydrophobicContact CB-CE2 3.61Å; F281-F283 HydrophobicContact CB-CZ 4.02Å; F281-F283 HydrophobicContact CD1-CZ 4.24Å; F281-F283 HydrophobicContact CG-CE2 4.39Å; F281-F283 HydrophobicContact CG-CZ 4.42Å; F281-L323 HydrophobicContact CE2-CD1 3.79Å; F281-L323 HydrophobicContact CZ-CD1 3.49Å; F281-L323 VanDerWaalsContact CZ-CD1 3.49Å; F281-A326 HydrophobicContact CD2-CB 4.14Å; F281-A326 HydrophobicContact CE2-CB 3.9Å; F281-S327 PolarHBondContact N-O 2.85Å; F281-K328 HydrophobicContact CB-CG 4.12Å; F281-K328 HydrophobicContact CD2-CG 4.42Å; F281-K328 CarbonylContact O-C 3.55Å; F281-K328 WeakPolarHBondContact O-CA 3.13Å; F281-L329 PolarHBondContact O-N 2.94Å
282	T	95.3	Very high	83.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.1	169.9	58.4	0	0	0	0	109.3	L212 F231 F232 H233 F234 L329	L212-T282 HydrophobicContact CD2-CG2 3.97Å; F231-T282 HydrophobicContact CE1-CG2 3.62Å; F231-T282 HydrophobicContact CZ-CG2 3.55Å; F232-T282 PolarHBondContact O-N 3.36Å; F232-T282 PolarHBondContact O-OG1 3.21Å; H233-T282 WeakPolarHBondContact CA-OG1 3.49Å; H233-T282 WeakPolarHBondContact CB-OG1 3.3Å; H233-T282 PolarHBondContact ND1-OG1 2.99Å; F234-T282 PolarHBondContact N-O 2.98Å; T282-L329 CarbonylContact C-O 3.45Å; T282-L329 WeakPolarHBondContact CA-O 3.3Å; T282-L329 HydrophobicContact CG2-CB 4.08Å
283	F	94.2	Very high	82.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	106.6	178.8	-64.1	-73.9	0	0	0	108.3	F234 F239 F281 L314 L317 L318 K328 L329 L330 T331	F234-F283 HydrophobicContact CB-CD1 3.79Å; F234-F283 HydrophobicContact CB-CE1 3.97Å; F234-F283 HydrophobicContact CD2-CD1 4.32Å; F234-F283 AromaticContact CD2-CE1 3.71Å; F234-F283 HydrophobicContact CD2-CE1 3.71Å; F234-F283 HydrophobicContact CD2-CZ 4.36Å; F234-F283 HydrophobicContact CG-CD1 4.45Å; F234-F283 HydrophobicContact CG-CE1 4.15Å; F234-F283 CarbonylContact O-C 3.36Å; F234-F283 VanDerWaalsContact O-CA 3.29Å; F234-F283 WeakPolarHBondContact O-CA 3.16Å; F239-F283 HydrophobicContact CE2-CD1 4.34Å; F239-F283 HydrophobicContact CE2-CE1 4.41Å; F239-F283 HydrophobicContact CZ-CE1 4.24Å; F281-F283 HydrophobicContact CB-CD2 4.32Å; F281-F283 HydrophobicContact CB-CE2 3.61Å; F281-F283 HydrophobicContact CB-CZ 4.02Å; F281-F283 HydrophobicContact CD1-CZ 4.24Å; F281-F283 HydrophobicContact CG-CE2 4.39Å; F281-F283 HydrophobicContact CG-CZ 4.42Å; F283-L314 HydrophobicContact CD1-CD1 3.33Å; F283-L314 HydrophobicContact CD2-CD1 4.3Å; F283-L314 HydrophobicContact CE1-CD1 3.29Å; F283-L314 HydrophobicContact CE2-CD1 4.24Å; F283-L314 HydrophobicContact CG-CD1 3.87Å; F283-L314 HydrophobicContact CZ-CD1 3.77Å; F283-L317 HydrophobicContact CZ-CB 4.46Å; F283-L317 HydrophobicContact CZ-CD1 4.21Å; F283-L318 HydrophobicContact CD2-CD2 3.63Å; F283-L318 HydrophobicContact CE2-CD2 3.87Å; F283-L318 HydrophobicContact CG-CD2 4.48Å; F283-K328 HydrophobicContact CE2-CG 4.43Å; F283-L329 PolarHBondContact N-O 3.19Å; F283-L330 HydrophobicContact CB-CD1 3.56Å; F283-L330 WeakPolarHBondContact O-CA 3.2Å; F283-T331 PolarHBondContact O-N 3.42Å
284	D	89.5	Confident	81	Confident	15 Å²	15	45.1 Å²	45.1	8%	0.08	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	120	-176.1	-163.1	27.6	0	0	0	111.9	S209 L212 F234 C236 T331	S209-D284 WeakPolarHBondContact CB-OD2 3.14Å; S209-D284 PolarHBondContact OG-OD1 2.97Å; S209-D284 PolarHBondContact OG-OD2 2.9Å; L212-D284 HydrophobicContact CD1-CB 3.61Å; F234-D284 PolarHBondContact O-N 3.02Å; C236-D284 PolarHBondContact N-O 3.28Å; D284-T331 VanDerWaalsContact CA-OG1 3.27Å; D284-T331 WeakPolarHBondContact CA-OG1 3.38Å; D284-T331 PolarHBondContact OD1-OG1 3.24Å
285	G	83.6	Confident	80.4	Confident	3 Å²	3	37 Å²	37	3%	0.031	19%	0.191	C	C	.	.			trans	83	62.9	167.5	0	0	0	0	0	115	C236 D287 E288 T331	C236-G285 WeakPolarHBondContact CB-O 3.5Å; G285-D287 PolarHBondContact O-N 3.24Å; G285-D287 VanDerWaalsContact O-N 3.15Å; G285-E288 VanDerWaalsContact O-CB 3.31Å; G285-E288 WeakPolarHBondContact O-CB 3.48Å; G285-E288 PolarHBondContact O-N 3.22Å; G285-T331 PolarHBondContact N-O 3.2Å; G285-T331 PolarHBondContact N-OG1 3Å
286	L	86.2	Confident	79.6	Confident	19 Å²	19	38.1 Å²	38.1	10%	0.099	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-54.1	-33.7	176.1	-170.6	68	0	0	0	112.7	E288 L289 L295 L330 T331 A332 I336 V338	L286-E288 PolarHBondContact O-N 2.88Å; L286-L289 HydrophobicContact CD1-CD1 3.65Å; L286-L289 PolarHBondContact O-N 2.89Å; L286-L295 HydrophobicContact CD2-CD1 4.48Å; L286-L330 HydrophobicContact CB-CD1 4.1Å; L286-L330 HydrophobicContact CD1-CD1 4.21Å; L286-L330 HydrophobicContact CD2-CD2 4.08Å; L286-T331 PolarHBondContact N-O 3.31Å; L286-A332 HydrophobicContact CB-CB 3.9Å; L286-I336 HydrophobicContact CD2-CG2 3.82Å; L286-I336 HydrophobicContact CG-CG2 4.45Å; L286-V338 HydrophobicContact CD2-CG2 3.67Å
287	D	78.4	Confident	78.8	Confident	25 Å²	25	47 Å²	47	13%	0.134	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-64.6	-11	174.9	51.5	-71.5	0	0	0	114.9	G285 A332 R333 I336 Q494	G285-D287 PolarHBondContact O-N 3.24Å; G285-D287 VanDerWaalsContact O-N 3.15Å; D287-A332 WeakPolarHBondContact OD1-CA 3.39Å; D287-R333 HydrophobicContact CB-CB 4.42Å; D287-R333 HydrophobicContact CB-CG 4.39Å; D287-R333 PolarHBondContact OD1-N 3.47Å; D287-R333 VanDerWaalsContact OD1-N 3.1Å; D287-R333 VanDerWaalsContact OD2-CD 3.24Å; D287-R333 WeakPolarHBondContact OD2-CD 3.19Å; D287-R333 VanDerWaalsContact OD2-CG 3.29Å; D287-R333 WeakPolarHBondContact OD2-CG 3.22Å; D287-R333 IonicContact OD2-CZ 3.49Å; D287-R333 IonicContact OD2-NE 3.8Å; D287-R333 PolarHBondContact OD2-NE 3.35Å; D287-R333 IonicContact OD2-NH2 2.73Å; D287-I336 HydrophobicContact CB-CD1 4.15Å; D287-I336 HydrophobicContact CB-CG1 4.01Å; D287-Q494 PolarHBondContact O-NE2 2.91Å; D287-Q494 VanDerWaalsContact O-NE2 3.16Å
288	E	72.2	Confident	78.2	Confident	59 Å²	59	42.6 Å²	42.6	28%	0.276	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-89.4	0.1	177.3	-55.8	-175.3	-178.2	0	0	113.1	R237 G285 L286	R237-E288 HydrophobicContact CB-CB 3.97Å; R237-E288 WeakPolarHBondContact CB-OE2 3.33Å; R237-E288 WeakPolarHBondContact CD-OE2 3.35Å; G285-E288 VanDerWaalsContact O-CB 3.31Å; G285-E288 WeakPolarHBondContact O-CB 3.48Å; G285-E288 PolarHBondContact O-N 3.22Å; L286-E288 PolarHBondContact O-N 2.88Å
289	L	71.7	Confident	77.8	Confident	13 Å²	13	46 Å²	46	7%	0.068	24%	0.24	C	C	.	.			trans	-73.1	134.1	172.4	-67.6	175.1	0	0	0	110.3	C236 F239 S240 L286 S291 L293 L311 L314	C236-L289 HydrophobicContact CB-CD2 4.15Å; C236-L289 HydrophobicContact CB-CG 4.08Å; C236-L289 WeakPolarHBondContact O-CD2 3.39Å; F239-L289 HydrophobicContact CB-CD2 3.94Å; S240-L289 WeakPolarHBondContact OG-CA 3.34Å; L286-L289 HydrophobicContact CD1-CD1 3.65Å; L286-L289 PolarHBondContact O-N 2.89Å; L289-S291 PolarHBondContact O-N 3.06Å; L289-L293 HydrophobicContact CD1-CD2 4.1Å; L289-L311 HydrophobicContact CD2-CD2 3.97Å; L289-L314 HydrophobicContact CD1-CD2 4.25Å
290	H	61.9	Low	77.1	Confident	112 Å²	112	51.4 Å²	51.4	52%	0.519	27%	0.268	S	S	.	.			trans	-79.3	6.9	179.3	-76.6	-51.1	0	0	0	114	S240	S240-H290 PolarHBondContact OG-N 3.16Å
291	S	56	Low	76.2	Confident	46 Å²	46	51.7 Å²	51.7	32%	0.322	27%	0.27	S	S	.	.	S	Bend	trans	-118.5	140.3	-166.2	52	0	0	0	0	110.5	L289 L293	L289-S291 PolarHBondContact O-N 3.06Å; S291-L293 PolarHBondContact O-N 2.88Å; S291-L293 WeakPolarHBondContact OG-CB 3.49Å
292	D	55.5	Low	75.4	Confident	169 Å²	169	56.2 Å²	56.2	90%	0.904	30%	0.302	S	S	*	.			trans	-61.1	50.7	153.3	-67.4	-35.9	0	0	0	110.4	D294	D292-D294 PolarHBondContact O-N 3.01Å
293	L	62	Low	74.9	Confident	43 Å²	43	58.4 Å²	58.4	23%	0.225	32%	0.316	C	S	.	.			trans	-72	87.3	177.7	-177.5	74	0	0	0	107.1	L289 S291 L295 V298 L311	L289-L293 HydrophobicContact CD1-CD2 4.1Å; S291-L293 PolarHBondContact O-N 2.88Å; S291-L293 WeakPolarHBondContact OG-CB 3.49Å; L293-L295 VanDerWaalsContact C-N 3.3Å; L293-L295 HydrophobicContact CD2-CD2 3.81Å; L293-L295 HydrophobicContact CG-CD2 4.27Å; L293-L295 PolarHBondContact O-N 2.87Å; L293-V298 HydrophobicContact CD1-CG2 3.79Å; L293-V298 HydrophobicContact CG-CG2 4.43Å; L293-L311 HydrophobicContact CD1-CB 4.1Å; L293-L311 HydrophobicContact CD1-CD1 4.41Å; L293-L311 HydrophobicContact CD2-CB 4.34Å; L293-L311 HydrophobicContact CD2-CD2 4.1Å
294	D	69.1	Low	74.6	Confident	63 Å²	63	59.5 Å²	59.5	34%	0.337	32%	0.324	S	S	.	.			trans	-67.3	96.2	163.6	-173.4	-5.9	0	0	0	107.9	D292 S296 R297 V298	D292-D294 PolarHBondContact O-N 3.01Å; D294-S296 PolarHBondContact O-N 3.4Å; D294-S296 VanDerWaalsContact OD1-CB 3.25Å; D294-S296 WeakPolarHBondContact OD1-CB 3.5Å; D294-S296 PolarHBondContact OD1-N 3.47Å; D294-S296 PolarHBondContact OD1-OG 2.81Å; D294-S296 PolarHBondContact OD2-OG 3.35Å; D294-S296 VanDerWaalsContact OD2-OG 3.07Å; D294-R297 HydrophobicContact CB-CB 4.32Å; D294-R297 HydrophobicContact CB-CG 4.22Å; D294-R297 PolarHBondContact O-N 3.48Å; D294-R297 WeakPolarHBondContact OD2-CD 3.38Å; D294-R297 WeakPolarHBondContact OD2-CG 3.15Å; D294-R297 IonicContact OD2-CZ 3.53Å; D294-R297 IonicContact OD2-NE 3.37Å; D294-R297 PolarHBondContact OD2-NE 3.41Å; D294-V298 WeakPolarHBondContact O-CG2 3.29Å
295	L	72.1	Confident	74.5	Confident	13 Å²	13	67.1 Å²	67.1	7%	0.068	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-16.7	175.1	-78	178.9	0	0	0	113.1	L286 L293 A315 L318 V338 P339 F342	L286-L295 HydrophobicContact CD2-CD1 4.48Å; L293-L295 VanDerWaalsContact C-N 3.3Å; L293-L295 HydrophobicContact CD2-CD2 3.81Å; L293-L295 HydrophobicContact CG-CD2 4.27Å; L293-L295 PolarHBondContact O-N 2.87Å; L295-A315 HydrophobicContact CD2-CB 3.68Å; L295-L318 HydrophobicContact CD1-CD1 4.47Å; L295-L318 HydrophobicContact CD2-CD1 4.46Å; L295-V338 HydrophobicContact CD1-CG1 4.19Å; L295-P339 HydrophobicContact CB-CG 3.73Å; L295-F342 HydrophobicContact CB-CE2 3.9Å; L295-F342 HydrophobicContact CD1-CE2 4.46Å; L295-F342 WeakPolarHBondContact O-CZ 3.27Å
296	S	70.7	Confident	74.8	Confident	71 Å²	71	71.8 Å²	71.8	50%	0.497	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-22	175.5	77.8	0	0	0	0	114.7	D294	D294-S296 PolarHBondContact O-N 3.4Å; D294-S296 VanDerWaalsContact OD1-CB 3.25Å; D294-S296 WeakPolarHBondContact OD1-CB 3.5Å; D294-S296 PolarHBondContact OD1-N 3.47Å; D294-S296 PolarHBondContact OD1-OG 2.81Å; D294-S296 PolarHBondContact OD2-OG 3.35Å; D294-S296 VanDerWaalsContact OD2-OG 3.07Å
297	R	74.3	Confident	75	Confident	210 Å²	210	74.9 Å²	74.9	79%	0.792	39%	0.394	S	S	*	.	S	Bend	trans	-99.4	-0.8	-176.6	-67.3	179.1	-165.6	-168.6	-2.6	114.3	D294	D294-R297 HydrophobicContact CB-CB 4.32Å; D294-R297 HydrophobicContact CB-CG 4.22Å; D294-R297 PolarHBondContact O-N 3.48Å; D294-R297 WeakPolarHBondContact OD2-CD 3.38Å; D294-R297 WeakPolarHBondContact OD2-CG 3.15Å; D294-R297 IonicContact OD2-CZ 3.53Å; D294-R297 IonicContact OD2-NE 3.37Å; D294-R297 PolarHBondContact OD2-NE 3.41Å
298	V	77.3	Confident	75.6	Confident	20 Å²	20	74.2 Å²	74.2	12%	0.121	39%	0.391	C	S	.	.	S	Bend	trans	-70.2	134.3	-176.1	-173.8	0	0	0	0	109.9	L293 D294 D300 V312 A315	L293-V298 HydrophobicContact CD1-CG2 3.79Å; L293-V298 HydrophobicContact CG-CG2 4.43Å; D294-V298 WeakPolarHBondContact O-CG2 3.29Å; V298-D300 PolarHBondContact O-N 3.04Å; V298-V312 HydrophobicContact CG1-CB 3.99Å; V298-V312 HydrophobicContact CG1-CG1 4.01Å; V298-V312 HydrophobicContact CG1-CG2 3.8Å; V298-A315 HydrophobicContact CB-CB 3.88Å; V298-A315 HydrophobicContact CG1-CB 3.77Å; V298-A315 HydrophobicContact CG2-CB 3.82Å
299	P	79.3	Confident	76.5	Confident	86 Å²	86	72.8 Å²	72.8	56%	0.558	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-60	138.8	178.8	20.9	-31.6	0	0	0	112.1	S301 V312 N316	P299-S301 PolarHBondContact O-N 2.83Å; P299-V312 HydrophobicContact CG-CG1 4.2Å; P299-V312 HydrophobicContact CG-CG2 3.99Å; P299-V312 WeakPolarHBondContact O-CG1 3.41Å; P299-N316 PolarHBondContact O-ND2 3.32Å
300	D	78.7	Confident	77.2	Confident	113 Å²	113	72.2 Å²	72.2	60%	0.604	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-70.9	120.6	176.9	-72.2	-1	0	0	0	109.8	V298 K321	V298-D300 PolarHBondContact O-N 3.04Å; D300-K321 HydrophobicContact CB-CD 4.35Å; D300-K321 IonicContact OD1-NZ 2.89Å; D300-K321 PolarHBondContact OD1-NZ 3.48Å; D300-K321 IonicContact OD2-NZ 3.18Å; D300-K321 PolarHBondContact OD2-NZ 3.44Å
301	S	77.2	Confident	78.4	Confident	6 Å²	6	68 Å²	68	4%	0.042	36%	0.363	C	S	.	.			trans	-128.7	111	166.3	-178.2	0	0	0	0	108.1	P299 E306 N316 L322	P299-S301 PolarHBondContact O-N 2.83Å; S301-E306 PolarHBondContact OG-OE2 2.88Å; S301-E306 VanDerWaalsContact OG-OE2 3.12Å; S301-N316 PolarHBondContact N-ND2 3.35Å; S301-N316 PolarHBondContact N-OD1 2.82Å; S301-L322 WeakPolarHBondContact O-CD2 3.4Å; S301-L322 WeakPolarHBondContact O-CG 3.37Å
302	S	77.9	Confident	80	Confident	95 Å²	95	66.7 Å²	66.7	66%	0.664	35%	0.353	S	S	*	.			trans	-96	-9.8	176.9	59.7	0	0	0	0	112.7	P304	S302-P304 WeakPolarHBondContact O-CD 3.31Å
303	C	86.1	Confident	81.8	Confident	45 Å²	45	58.7 Å²	58.7	30%	0.304	31%	0.31	S	S	.	.			trans	-89	116.2	-176.1	-172	0	0	0	0	110.6	W305 E306	C303-W305 PolarHBondContact O-N 3.03Å; C303-W305 VanDerWaalsContact O-N 3.14Å; C303-E306 HydrophobicContact CB-CB 3.89Å; C303-E306 PolarHBondContact O-N 3.1Å
304	P	86.5	Confident	83.1	Confident	23 Å²	23	56.7 Å²	56.7	15%	0.149	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.6	-178.5	-22.3	33.9	0	0	0	114.7	L250 F269 L273 S302	L250-P304 HydrophobicContact CB-CB 4.34Å; L250-P304 WeakPolarHBondContact CB-O 3.5Å; L250-P304 HydrophobicContact CD2-CB 4.22Å; L250-P304 PolarHBondContact N-O 3.24Å; F269-P304 HydrophobicContact CE1-CB 4.27Å; F269-P304 HydrophobicContact CZ-CB 3.91Å; L273-P304 HydrophobicContact CD1-CB 4.38Å; L273-P304 HydrophobicContact CD1-CG 4.32Å; L273-P304 HydrophobicContact CD2-CB 3.8Å; L273-P304 HydrophobicContact CD2-CG 3.54Å; S302-P304 WeakPolarHBondContact O-CD 3.31Å
305	W	88.3	Confident	84.2	Confident	175 Å²	175	53.8 Å²	53.8	66%	0.663	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-14.5	-176.6	-51.9	-53.7	0	0	0	113.6	F269 L273 C303 P307	F269-W305 AromaticContact CE1-CD1 3.96Å; F269-W305 AromaticContact CE1-NE1 3.78Å; L273-W305 HydrophobicContact CD1-CZ2 4.33Å; C303-W305 PolarHBondContact O-N 3.03Å; C303-W305 VanDerWaalsContact O-N 3.14Å; W305-P307 WeakPolarHBondContact O-CD 3.36Å
306	E	89.5	Confident	85.1	Confident	102 Å²	102	53.3 Å²	53.3	48%	0.477	28%	0.282	S	S	.	.	S	Bend	trans	-72.2	125.4	-178.1	-172.7	177	-162.9	0	0	110.3	S301 C303 A308	S301-E306 PolarHBondContact OG-OE2 2.88Å; S301-E306 VanDerWaalsContact OG-OE2 3.12Å; C303-E306 HydrophobicContact CB-CB 3.89Å; C303-E306 PolarHBondContact O-N 3.1Å; E306-A308 PolarHBondContact O-N 3.49Å; E306-A308 VanDerWaalsContact O-N 3.15Å
307	P	90.9	Very high	86.2	Confident	84 Å²	84	50 Å²	50	55%	0.545	26%	0.259	S	S	.	.			trans	-67.2	113.4	175.9	-20.3	33	0	0	0	110.8	R247 W305	R247-P307 HydrophobicContact CB-CB 3.86Å; W305-P307 WeakPolarHBondContact O-CD 3.36Å
308	A	90.5	Very high	87.1	Confident	10 Å²	10	40 Å²	40	8%	0.083	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-122.5	164.3	177.6	0	0	0	0	0	110.5	R247 L248 E306 V312 L313	R247-A308 WeakPolarHBondContact CA-O 3.22Å; L248-A308 PolarHBondContact N-O 3.28Å; L248-A308 PolarHBondContact O-N 3.29Å; L248-A308 VanDerWaalsContact O-O 3.06Å; E306-A308 PolarHBondContact O-N 3.49Å; E306-A308 VanDerWaalsContact O-N 3.15Å; A308-V312 HydrophobicContact CB-CB 4.19Å; A308-V312 HydrophobicContact CB-CG1 4.05Å; A308-L313 HydrophobicContact CB-CD2 4.03Å; A308-L313 HydrophobicContact CB-CG 4.31Å
309	H	90.3	Very high	87.7	Confident	30 Å²	30	40.1 Å²	40.1	14%	0.139	22%	0.223	C	C	.	.			trans	-64.8	143.1	172.4	-172.9	-94.7	0	0	0	109.8	K243 D246 L311 V312 L313	K243-H309 PolarHBondContact O-NE2 2.82Å; D246-H309 PolarHBondContact O-CD2 3.13Å; H309-L311 VanDerWaalsContact C-N 3.26Å; H309-L311 PolarHBondContact ND1-N 3.2Å; H309-L311 PolarHBondContact O-N 2.81Å; H309-L311 VanDerWaalsContact O-N 3.15Å; H309-V312 HydrophobicContact CB-CB 4.49Å; H309-V312 HydrophobicContact CB-CG2 3.96Å; H309-V312 WeakPolarHBondContact O-CA 3.45Å; H309-V312 VanDerWaalsContact O-CB 3.23Å; H309-V312 WeakPolarHBondContact O-CB 3.23Å; H309-V312 PolarHBondContact O-N 2.59Å; H309-L313 PolarHBondContact O-N 2.86Å; H309-L313 VanDerWaalsContact O-N 3.13Å
310	P	88.2	Confident	88.2	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.6	-32.2	-175.6	-30.7	40.5	0	0	0	114.9	F239 F242 L248 V312 L313 L314	F239-P310 HydrophobicContact CD1-CB 3.79Å; F239-P310 WeakPolarHBondContact CD1-O 3.48Å; F239-P310 HydrophobicContact CE1-CB 4.26Å; F239-P310 WeakPolarHBondContact CE1-O 3.14Å; F242-P310 HydrophobicContact CB-CG 4.16Å; F242-P310 HydrophobicContact CD1-CG 3.82Å; F242-P310 HydrophobicContact CD2-CB 3.66Å; F242-P310 HydrophobicContact CD2-CG 3.71Å; F242-P310 HydrophobicContact CE1-CG 4.06Å; F242-P310 HydrophobicContact CE2-CB 3.8Å; F242-P310 HydrophobicContact CE2-CG 3.97Å; F242-P310 HydrophobicContact CG-CB 4.11Å; F242-P310 HydrophobicContact CG-CG 3.63Å; F242-P310 HydrophobicContact CZ-CB 4.34Å; F242-P310 HydrophobicContact CZ-CG 4.13Å; L248-P310 HydrophobicContact CD1-CG 3.73Å; L248-P310 HydrophobicContact CG-CG 4.16Å; P310-V312 VanDerWaalsContact C-N 3.3Å; P310-V312 PolarHBondContact O-N 3.16Å; P310-L313 PolarHBondContact O-N 3.35Å; P310-L314 PolarHBondContact O-N 2.89Å
311	L	87.1	Confident	88.8	Confident	23 Å²	23	35.3 Å²	35.3	12%	0.12	19%	0.19	C	C	.	.	H	α-helix	trans	-66.3	-31.6	172.1	-63.8	171.4	0	0	0	112.7	F239 L289 L293 H309 L314 A315	F239-L311 HydrophobicContact CB-CD2 3.48Å; F239-L311 VanDerWaalsContact CB-CD2 3.48Å; F239-L311 HydrophobicContact CB-CG 4.37Å; F239-L311 HydrophobicContact CG-CD2 4.34Å; L289-L311 HydrophobicContact CD2-CD2 3.97Å; L293-L311 HydrophobicContact CD1-CB 4.1Å; L293-L311 HydrophobicContact CD1-CD1 4.41Å; L293-L311 HydrophobicContact CD2-CB 4.34Å; L293-L311 HydrophobicContact CD2-CD2 4.1Å; H309-L311 VanDerWaalsContact C-N 3.26Å; H309-L311 PolarHBondContact ND1-N 3.2Å; H309-L311 PolarHBondContact O-N 2.81Å; H309-L311 VanDerWaalsContact O-N 3.15Å; L311-L314 PolarHBondContact O-N 3.26Å; L311-A315 PolarHBondContact O-N 2.99Å
312	V	89.7	Confident	89.5	Confident	20 Å²	20	35.1 Å²	35.1	12%	0.121	19%	0.188	C	C	.	.	H	α-helix	trans	-68.2	-42.1	174.3	177.4	0	0	0	0	110.2	V298 P299 A308 H309 P310 A315 N316	V298-V312 HydrophobicContact CG1-CB 3.99Å; V298-V312 HydrophobicContact CG1-CG1 4.01Å; V298-V312 HydrophobicContact CG1-CG2 3.8Å; P299-V312 HydrophobicContact CG-CG1 4.2Å; P299-V312 HydrophobicContact CG-CG2 3.99Å; P299-V312 WeakPolarHBondContact O-CG1 3.41Å; A308-V312 HydrophobicContact CB-CB 4.19Å; A308-V312 HydrophobicContact CB-CG1 4.05Å; H309-V312 HydrophobicContact CB-CB 4.49Å; H309-V312 HydrophobicContact CB-CG2 3.96Å; H309-V312 WeakPolarHBondContact O-CA 3.45Å; H309-V312 VanDerWaalsContact O-CB 3.23Å; H309-V312 WeakPolarHBondContact O-CB 3.23Å; H309-V312 PolarHBondContact O-N 2.59Å; P310-V312 VanDerWaalsContact C-N 3.3Å; P310-V312 PolarHBondContact O-N 3.16Å; V312-A315 PolarHBondContact O-N 3.17Å; V312-N316 VanDerWaalsContact CG1-ND2 3.32Å; V312-N316 WeakPolarHBondContact CG1-ND2 3.47Å; V312-N316 WeakPolarHBondContact O-CB 3.23Å; V312-N316 PolarHBondContact O-N 3.4Å; V312-N316 PolarHBondContact O-ND2 2.89Å
313	L	91.5	Very high	90.1	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-44	173.7	-63	178.7	0	0	0	111.6	L248 L253 A308 H309 P310 N316 L317 L322	L248-L313 HydrophobicContact CB-CD1 4.28Å; L253-L313 HydrophobicContact CB-CD1 4.07Å; L253-L313 HydrophobicContact CD2-CB 4Å; L253-L313 HydrophobicContact CD2-CD1 3.99Å; A308-L313 HydrophobicContact CB-CD2 4.03Å; A308-L313 HydrophobicContact CB-CG 4.31Å; H309-L313 PolarHBondContact O-N 2.86Å; H309-L313 VanDerWaalsContact O-N 3.13Å; P310-L313 PolarHBondContact O-N 3.35Å; L313-N316 PolarHBondContact O-N 3.19Å; L313-L317 WeakPolarHBondContact O-CB 3.48Å; L313-L317 VanDerWaalsContact O-CG 3.29Å; L313-L317 WeakPolarHBondContact O-CG 3.33Å; L313-L317 PolarHBondContact O-N 3.41Å; L313-L322 HydrophobicContact CD2-CD1 3.79Å
314	L	91	Very high	90.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.4	-52	176.7	175.4	63.3	0	0	0	111.7	F239 F283 L289 P310 L311 N316 L317 L318	F239-L314 HydrophobicContact CD1-CB 4.29Å; F239-L314 HydrophobicContact CD2-CD2 4.07Å; F239-L314 HydrophobicContact CE1-CB 4Å; F239-L314 HydrophobicContact CE2-CD1 4.21Å; F239-L314 HydrophobicContact CE2-CD2 4.23Å; F239-L314 HydrophobicContact CG-CD2 4.22Å; F239-L314 HydrophobicContact CZ-CB 4.23Å; F239-L314 HydrophobicContact CZ-CD1 4.17Å; F283-L314 HydrophobicContact CD1-CD1 3.33Å; F283-L314 HydrophobicContact CD2-CD1 4.3Å; F283-L314 HydrophobicContact CE1-CD1 3.29Å; F283-L314 HydrophobicContact CE2-CD1 4.24Å; F283-L314 HydrophobicContact CG-CD1 3.87Å; F283-L314 HydrophobicContact CZ-CD1 3.77Å; L289-L314 HydrophobicContact CD1-CD2 4.25Å; P310-L314 PolarHBondContact O-N 2.89Å; L311-L314 PolarHBondContact O-N 3.26Å; L314-N316 PolarHBondContact O-N 2.59Å; L314-L317 PolarHBondContact O-N 3.33Å; L314-L318 HydrophobicContact CD1-CD1 4.06Å; L314-L318 HydrophobicContact CD1-CG 4.25Å; L314-L318 HydrophobicContact CG-CD1 4.14Å; L314-L318 WeakPolarHBondContact O-CG 3.44Å; L314-L318 PolarHBondContact O-N 2.98Å
315	A	90.4	Very high	90.5	Very high	3 Å²	3	37.5 Å²	37.5	3%	0.025	19%	0.192	C	C	.	.	H	α-helix	trans	-63.6	-39.8	-179.5	0	0	0	0	0	112.5	L295 V298 L311 V312 L318 S319	L295-A315 HydrophobicContact CD2-CB 3.68Å; V298-A315 HydrophobicContact CB-CB 3.88Å; V298-A315 HydrophobicContact CG1-CB 3.77Å; V298-A315 HydrophobicContact CG2-CB 3.82Å; L311-A315 PolarHBondContact O-N 2.99Å; V312-A315 PolarHBondContact O-N 3.17Å; A315-L318 PolarHBondContact O-N 3.13Å; A315-S319 WeakPolarHBondContact O-CB 3.32Å; A315-S319 PolarHBondContact O-N 3.09Å; A315-S319 PolarHBondContact O-OG 3.45Å
316	N	92	Very high	90.7	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-71.4	-28.9	178	-75.3	-59	0	0	0	112.7	P299 S301 V312 L313 L314 S319 G320 K321 L322	P299-N316 PolarHBondContact O-ND2 3.32Å; S301-N316 PolarHBondContact N-ND2 3.35Å; S301-N316 PolarHBondContact N-OD1 2.82Å; V312-N316 VanDerWaalsContact CG1-ND2 3.32Å; V312-N316 WeakPolarHBondContact CG1-ND2 3.47Å; V312-N316 WeakPolarHBondContact O-CB 3.23Å; V312-N316 PolarHBondContact O-N 3.4Å; V312-N316 PolarHBondContact O-ND2 2.89Å; L313-N316 PolarHBondContact O-N 3.19Å; L314-N316 PolarHBondContact O-N 2.59Å; N316-S319 WeakPolarHBondContact CA-OG 3.5Å; N316-S319 PolarHBondContact O-OG 3.16Å; N316-G320 PolarHBondContact O-N 2.97Å; N316-K321 HydrophobicContact CB-CB 4.26Å; N316-K321 PolarHBondContact O-N 3.29Å; N316-K321 WeakPolarHBondContact OD1-CD 3.46Å; N316-L322 HydrophobicContact CB-CB 4.39Å; N316-L322 HydrophobicContact CB-CD1 3.65Å; N316-L322 HydrophobicContact CB-CG 3.8Å; N316-L322 PolarHBondContact O-N 3.07Å
317	L	93.7	Very high	90.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-69.5	-43.6	169.6	-77.1	167.4	0	0	0	112.2	L250 L253 F283 L313 L314 G320 L322 L323 K328	L250-L317 HydrophobicContact CD1-CD1 3.93Å; L250-L317 HydrophobicContact CD1-CD2 4.05Å; L250-L317 HydrophobicContact CD1-CG 4.29Å; L253-L317 HydrophobicContact CD2-CD1 4.34Å; F283-L317 HydrophobicContact CZ-CB 4.46Å; F283-L317 HydrophobicContact CZ-CD1 4.21Å; L313-L317 WeakPolarHBondContact O-CB 3.48Å; L313-L317 VanDerWaalsContact O-CG 3.29Å; L313-L317 WeakPolarHBondContact O-CG 3.33Å; L313-L317 PolarHBondContact O-N 3.41Å; L314-L317 PolarHBondContact O-N 3.33Å; L317-G320 PolarHBondContact O-N 2.83Å; L317-L322 HydrophobicContact CD2-CB 3.91Å; L317-L322 HydrophobicContact CG-CB 4.19Å; L317-L323 HydrophobicContact CD2-CB 4.24Å; L317-L323 HydrophobicContact CD2-CD1 3.94Å; L317-L323 HydrophobicContact CD2-CG 4.23Å; L317-K328 WeakPolarHBondContact O-CD 3.12Å; L317-K328 VanDerWaalsContact O-CE 3.25Å; L317-K328 WeakPolarHBondContact O-CE 3.05Å
318	L	92.9	Very high	91	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-68.1	-36.2	179.7	-69.6	174.5	0	0	0	112.7	T197 F283 L295 L314 A315 G320 K328 L330 F342	T197-L318 HydrophobicContact CG2-CD2 4.06Å; T197-L318 PolarHBondContact OG1-O 3.38Å; F283-L318 HydrophobicContact CD2-CD2 3.63Å; F283-L318 HydrophobicContact CE2-CD2 3.87Å; F283-L318 HydrophobicContact CG-CD2 4.48Å; L295-L318 HydrophobicContact CD1-CD1 4.47Å; L295-L318 HydrophobicContact CD2-CD1 4.46Å; L314-L318 HydrophobicContact CD1-CD1 4.06Å; L314-L318 HydrophobicContact CD1-CG 4.25Å; L314-L318 HydrophobicContact CG-CD1 4.14Å; L314-L318 WeakPolarHBondContact O-CG 3.44Å; L314-L318 PolarHBondContact O-N 2.98Å; A315-L318 PolarHBondContact O-N 3.13Å; L318-G320 VanDerWaalsContact C-N 3.3Å; L318-K328 HydrophobicContact CD2-CB 4.42Å; L318-L330 HydrophobicContact CD1-CD1 4.49Å; L318-L330 HydrophobicContact CD1-CD2 4Å; L318-L330 HydrophobicContact CD2-CB 4.33Å; L318-L330 HydrophobicContact CD2-CD1 4.46Å; L318-L330 HydrophobicContact CD2-CD2 4.15Å; L318-F342 HydrophobicContact CB-CD2 4.38Å
319	S	90.3	Very high	91.3	Very high	23 Å²	23	21 Å²	21	16%	0.161	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-11.2	177.3	62.6	0	0	0	0	114.3	A315 N316 K321 F342	A315-S319 WeakPolarHBondContact O-CB 3.32Å; A315-S319 PolarHBondContact O-N 3.09Å; A315-S319 PolarHBondContact O-OG 3.45Å; N316-S319 WeakPolarHBondContact CA-OG 3.5Å; N316-S319 PolarHBondContact O-OG 3.16Å; S319-K321 VanDerWaalsContact C-N 3.34Å; S319-F342 VanDerWaalsContact CB-CD1 3.5Å
320	G	90.6	Very high	91.6	Very high	8 Å²	8	19.5 Å²	19.5	8%	0.082	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	9	-177.2	0	0	0	0	0	115	E196 N316 L317 L318 K324	E196-G320 WeakPolarHBondContact OE2-CA 3.47Å; N316-G320 PolarHBondContact O-N 2.97Å; L317-G320 PolarHBondContact O-N 2.83Å; L318-G320 VanDerWaalsContact C-N 3.3Å; G320-K324 WeakPolarHBondContact O-CA 3.32Å; G320-K324 WeakPolarHBondContact O-CB 3.3Å
321	K	90.1	Very high	91.8	Very high	90 Å²	90	19.5 Å²	19.5	39%	0.391	11%	0.108	S	C	.	.	S	Bend	trans	-71.4	-33	173.8	-66.1	-178.2	-171.5	-177.3	0	111.9	D300 N316 S319	D300-K321 HydrophobicContact CB-CD 4.35Å; D300-K321 IonicContact OD1-NZ 2.89Å; D300-K321 PolarHBondContact OD1-NZ 3.48Å; D300-K321 IonicContact OD2-NZ 3.18Å; D300-K321 PolarHBondContact OD2-NZ 3.44Å; N316-K321 HydrophobicContact CB-CB 4.26Å; N316-K321 PolarHBondContact O-N 3.29Å; N316-K321 WeakPolarHBondContact OD1-CD 3.46Å; S319-K321 VanDerWaalsContact C-N 3.34Å
322	L	91.8	Very high	92	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.103	C	C	.	.	S	Bend	trans	-104.6	134.5	167.2	-69.4	171.9	0	0	0	109.9	S301 L313 N316 L317 K324	S301-L322 WeakPolarHBondContact O-CD2 3.4Å; S301-L322 WeakPolarHBondContact O-CG 3.37Å; L313-L322 HydrophobicContact CD2-CD1 3.79Å; N316-L322 HydrophobicContact CB-CB 4.39Å; N316-L322 HydrophobicContact CB-CD1 3.65Å; N316-L322 HydrophobicContact CB-CG 3.8Å; N316-L322 PolarHBondContact O-N 3.07Å; L317-L322 HydrophobicContact CD2-CB 3.91Å; L317-L322 HydrophobicContact CG-CB 4.19Å; L322-K324 PolarHBondContact O-N 3.3Å
323	L	91.6	Very high	91.6	Very high	15 Å²	15	19.4 Å²	19.4	8%	0.079	10%	0.104	C	C	.	.	S	Bend	trans	51.4	54.6	-178.8	-60.5	178	0	0	0	113.1	L250 L272 L273 P276 F281 L317 G325 A326 K328	L250-L323 HydrophobicContact CD2-CD1 3.9Å; L250-L323 HydrophobicContact CD2-CD2 4.28Å; L250-L323 HydrophobicContact CD2-CG 3.8Å; L272-L323 HydrophobicContact CD1-CD1 4.45Å; L272-L323 HydrophobicContact CD2-CD1 4.19Å; L272-L323 HydrophobicContact CG-CD1 4.37Å; L272-L323 HydrophobicContact CG-CD2 4.13Å; L273-L323 HydrophobicContact CD2-CD2 3.82Å; P276-L323 HydrophobicContact CB-CB 4.17Å; P276-L323 HydrophobicContact CB-CD2 4.29Å; F281-L323 HydrophobicContact CE2-CD1 3.79Å; F281-L323 HydrophobicContact CZ-CD1 3.49Å; F281-L323 VanDerWaalsContact CZ-CD1 3.49Å; L317-L323 HydrophobicContact CD2-CB 4.24Å; L317-L323 HydrophobicContact CD2-CD1 3.94Å; L317-L323 HydrophobicContact CD2-CG 4.23Å; L323-G325 PolarHBondContact O-N 3.41Å; L323-A326 HydrophobicContact CB-CB 4.18Å; L323-A326 WeakPolarHBondContact O-CB 3.26Å; L323-A326 PolarHBondContact O-N 2.9Å; L323-A326 VanDerWaalsContact O-N 3.09Å; L323-K328 PolarHBondContact O-NZ 3.48Å
324	K	91.2	Very high	91.2	Very high	159 Å²	159	20.3 Å²	20.3	69%	0.691	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	130.2	176	-166.8	178.3	-178.6	174.5	0	111.1	E196 P276 G320 L322	E196-K324 WeakPolarHBondContact OE1-CG 3.49Å; P276-K324 WeakPolarHBondContact CB-O 3.28Å; P276-K324 WeakPolarHBondContact CG-O 3.42Å; G320-K324 WeakPolarHBondContact O-CA 3.32Å; G320-K324 WeakPolarHBondContact O-CB 3.3Å; L322-K324 PolarHBondContact O-N 3.3Å
325	G	89	Confident	90.5	Very high	40 Å²	40	21.6 Å²	21.6	41%	0.412	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	-12.4	-177.7	0	0	0	0	0	115.3	E196 H277 L323	E196-G325 PolarHBondContact OE1-N 3.11Å; E196-G325 PolarHBondContact OE2-N 2.98Å; H277-G325 WeakPolarHBondContact CA-O 3.28Å; L323-G325 PolarHBondContact O-N 3.41Å
326	A	92.4	Very high	90.1	Very high	2 Å²	2	23.7 Å²	23.7	2%	0.017	13%	0.133	C	C	.	.			trans	-64.3	150.5	169.5	0	0	0	0	0	110.5	P276 A279 F281 L323 K328	P276-A326 HydrophobicContact CB-CB 4.39Å; P276-A326 VanDerWaalsContact O-CA 3.24Å; P276-A326 WeakPolarHBondContact O-CA 3.49Å; P276-A326 WeakPolarHBondContact O-CB 3.41Å; A279-A326 HydrophobicContact CB-CB 4.17Å; F281-A326 HydrophobicContact CD2-CB 4.14Å; F281-A326 HydrophobicContact CE2-CB 3.9Å; L323-A326 HydrophobicContact CB-CB 4.18Å; L323-A326 WeakPolarHBondContact O-CB 3.26Å; L323-A326 PolarHBondContact O-N 2.9Å; L323-A326 VanDerWaalsContact O-N 3.09Å; A326-K328 WeakPolarHBondContact O-CD 3.41Å; A326-K328 WeakPolarHBondContact O-CE 3.31Å; A326-K328 PolarHBondContact O-NZ 3.29Å
327	S	92.7	Very high	89.6	Confident	21 Å²	21	31.4 Å²	31.4	15%	0.147	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	135.9	176.5	-69	0	0	0	0	110.3	A279 L280 F281	A279-S327 PolarHBondContact O-N 2.8Å; L280-S327 WeakPolarHBondContact CA-O 3.39Å; F281-S327 PolarHBondContact N-O 2.85Å
328	K	94.7	Very high	89.3	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.5	178.1	-63.5	92.7	-170.7	177.6	0	110.2	E196 T197 I198 F281 F283 L317 L318 L323 A326	E196-K328 HydrophobicContact CB-CD 4.17Å; E196-K328 IonicContact OE2-NZ 3.16Å; E196-K328 PolarHBondContact OE2-NZ 3.43Å; T197-K328 CarbonylContact C-O 3.58Å; T197-K328 WeakPolarHBondContact CA-O 3.44Å; I198-K328 PolarHBondContact N-O 3.31Å; F281-K328 HydrophobicContact CB-CG 4.12Å; F281-K328 HydrophobicContact CD2-CG 4.42Å; F281-K328 CarbonylContact O-C 3.55Å; F281-K328 WeakPolarHBondContact O-CA 3.13Å; F283-K328 HydrophobicContact CE2-CG 4.43Å; L317-K328 WeakPolarHBondContact O-CD 3.12Å; L317-K328 VanDerWaalsContact O-CE 3.25Å; L317-K328 WeakPolarHBondContact O-CE 3.05Å; L318-K328 HydrophobicContact CD2-CB 4.42Å; L323-K328 PolarHBondContact O-NZ 3.48Å; A326-K328 WeakPolarHBondContact O-CD 3.41Å; A326-K328 WeakPolarHBondContact O-CE 3.31Å; A326-K328 PolarHBondContact O-NZ 3.29Å
329	L	95.7	Very high	89.1	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.8	172.5	-94	73.1	0	0	0	108.3	L183 L184 I198 I200 L212 L215 L280 F281 T282 F283	L183-L329 HydrophobicContact CD2-CD2 3.66Å; L183-L329 HydrophobicContact CG-CD2 4.39Å; L184-L329 HydrophobicContact CD2-CD1 3.43Å; L184-L329 VanDerWaalsContact CD2-CD1 3.43Å; L184-L329 HydrophobicContact CD2-CD2 4.43Å; I198-L329 HydrophobicContact CB-CD1 4.12Å; I198-L329 HydrophobicContact CB-CG 4.16Å; I198-L329 HydrophobicContact CD1-CD1 3.7Å; I198-L329 HydrophobicContact CG1-CD1 4.49Å; I198-L329 HydrophobicContact CG2-CG 4.32Å; I198-L329 WeakPolarHBondContact O-CA 3.37Å; I200-L329 HydrophobicContact CD1-CD2 4.02Å; I200-L329 HydrophobicContact CD1-CG 4.4Å; L212-L329 HydrophobicContact CD2-CB 4.31Å; L212-L329 HydrophobicContact CD2-CD2 4Å; L215-L329 HydrophobicContact CD1-CD2 3.51Å; L280-L329 HydrophobicContact CD1-CD1 3.68Å; F281-L329 PolarHBondContact O-N 2.94Å; T282-L329 CarbonylContact C-O 3.45Å; T282-L329 WeakPolarHBondContact CA-O 3.3Å; T282-L329 HydrophobicContact CG2-CB 4.08Å; F283-L329 PolarHBondContact N-O 3.19Å
330	L	95.8	Very high	89	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.4	-179.6	-180	63.1	0	0	0	109	T197 I198 F199 I200 F283 L286 L318 V338	T197-L330 HydrophobicContact CG2-CB 3.68Å; T197-L330 HydrophobicContact CG2-CD2 4.23Å; I198-L330 PolarHBondContact O-N 3.47Å; F199-L330 CarbonylContact C-O 3.52Å; F199-L330 WeakPolarHBondContact CA-O 3.43Å; F199-L330 HydrophobicContact CD2-CB 4.18Å; F199-L330 HydrophobicContact CD2-CD2 4.1Å; F199-L330 HydrophobicContact CD2-CG 4.02Å; F199-L330 WeakPolarHBondContact CD2-O 3.36Å; F199-L330 HydrophobicContact CE2-CD2 4.32Å; F199-L330 HydrophobicContact CE2-CG 4.26Å; I200-L330 PolarHBondContact N-O 3.33Å; F283-L330 HydrophobicContact CB-CD1 3.56Å; F283-L330 WeakPolarHBondContact O-CA 3.2Å; L286-L330 HydrophobicContact CB-CD1 4.1Å; L286-L330 HydrophobicContact CD1-CD1 4.21Å; L286-L330 HydrophobicContact CD2-CD2 4.08Å; L318-L330 HydrophobicContact CD1-CD1 4.49Å; L318-L330 HydrophobicContact CD1-CD2 4Å; L318-L330 HydrophobicContact CD2-CB 4.33Å; L318-L330 HydrophobicContact CD2-CD1 4.46Å; L318-L330 HydrophobicContact CD2-CD2 4.15Å; L330-V338 HydrophobicContact CD2-CG1 4.42Å; L330-V338 HydrophobicContact CD2-CG2 3.96Å
331	T	93.8	Very high	88.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	143.4	174.2	67.6	0	0	0	0	110.6	I200 K208 L212 F283 D284 G285 L286	I200-T331 HydrophobicContact CB-CG2 4.11Å; I200-T331 HydrophobicContact CD1-CG2 4.48Å; I200-T331 VanDerWaalsContact O-CA 3.29Å; I200-T331 WeakPolarHBondContact O-CA 3.43Å; K208-T331 HydrophobicContact CB-CG2 4.14Å; L212-T331 HydrophobicContact CD1-CG2 3.55Å; L212-T331 HydrophobicContact CD2-CG2 4.09Å; L212-T331 HydrophobicContact CG-CG2 3.78Å; F283-T331 PolarHBondContact O-N 3.42Å; D284-T331 VanDerWaalsContact CA-OG1 3.27Å; D284-T331 WeakPolarHBondContact CA-OG1 3.38Å; D284-T331 PolarHBondContact OD1-OG1 3.24Å; G285-T331 PolarHBondContact N-O 3.2Å; G285-T331 PolarHBondContact N-OG1 3Å; L286-T331 PolarHBondContact N-O 3.31Å
332	A	90	Very high	88.9	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	168.4	170.1	0	0	0	0	0	111.6	F199 I200 L201 G202 K208 L286 D287 I336	F199-A332 HydrophobicContact CE2-CB 3.48Å; F199-A332 VanDerWaalsContact CE2-CB 3.48Å; F199-A332 HydrophobicContact CZ-CB 3.72Å; I200-A332 PolarHBondContact O-N 2.92Å; L201-A332 WeakPolarHBondContact CA-O 3.4Å; L201-A332 HydrophobicContact CD2-CB 4.41Å; G202-A332 PolarHBondContact N-O 3.07Å; K208-A332 WeakPolarHBondContact CD-O 3.42Å; K208-A332 VanDerWaalsContact CE-O 3.28Å; K208-A332 WeakPolarHBondContact CE-O 3.47Å; L286-A332 HydrophobicContact CB-CB 3.9Å; D287-A332 WeakPolarHBondContact OD1-CA 3.39Å; A332-I336 HydrophobicContact CB-CB 3.85Å; A332-I336 HydrophobicContact CB-CG1 4.21Å; A332-I336 HydrophobicContact CB-CG2 3.92Å
333	R	83.3	Confident	89	Confident	41 Å²	41	42.2 Å²	42.2	16%	0.155	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	155.6	167	-75.4	178.4	-160.2	-164.9	-1.9	112.7	L201 G202 D287 I336 M493 Q494	L201-R333 WeakPolarHBondContact CD2-O 3.5Å; G202-R333 WeakPolarHBondContact O-CA 3.45Å; D287-R333 HydrophobicContact CB-CB 4.42Å; D287-R333 HydrophobicContact CB-CG 4.39Å; D287-R333 PolarHBondContact OD1-N 3.47Å; D287-R333 VanDerWaalsContact OD1-N 3.1Å; D287-R333 VanDerWaalsContact OD2-CD 3.24Å; D287-R333 WeakPolarHBondContact OD2-CD 3.19Å; D287-R333 VanDerWaalsContact OD2-CG 3.29Å; D287-R333 WeakPolarHBondContact OD2-CG 3.22Å; D287-R333 IonicContact OD2-CZ 3.49Å; D287-R333 IonicContact OD2-NE 3.8Å; D287-R333 PolarHBondContact OD2-NE 3.35Å; D287-R333 IonicContact OD2-NH2 2.73Å; R333-I336 HydrophobicContact CB-CG1 4.28Å; R333-I336 WeakPolarHBondContact O-CB 3.04Å; R333-I336 PolarHBondContact O-N 2.95Å; R333-M493 PolarHBondContact NH1-O 3.4Å; R333-Q494 PolarHBondContact NH2-O 3.3Å
334	T	82	Confident	89	Confident	19 Å²	19	44.1 Å²	44.1	12%	0.117	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	139.5	161.2	44.2	0	0	0	0	110.3	G202 D203 L348	G202-T334 PolarHBondContact O-N 2.85Å; D203-T334 WeakPolarHBondContact OD1-CB 3.41Å; D203-T334 VanDerWaalsContact OD1-CG2 3.24Å; D203-T334 WeakPolarHBondContact OD1-CG2 3.34Å; D203-T334 PolarHBondContact OD1-OG1 3.28Å; T334-L348 HydrophobicContact CG2-CD1 3.87Å
335	G	76.6	Confident	89.1	Confident	27 Å²	27	36.6 Å²	36.6	28%	0.278	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	-17.5	-175.1	0	0	0	0	0	114.6
336	I	81	Confident	89.4	Confident	47 Å²	47	35.6 Å²	35.6	24%	0.241	17%	0.17	C	C	.	.			trans	-81	127.1	175	-57.5	-62	0	0	0	110.3	L286 D287 A332 R333	L286-I336 HydrophobicContact CD2-CG2 3.82Å; L286-I336 HydrophobicContact CG-CG2 4.45Å; D287-I336 HydrophobicContact CB-CD1 4.15Å; D287-I336 HydrophobicContact CB-CG1 4.01Å; A332-I336 HydrophobicContact CB-CB 3.85Å; A332-I336 HydrophobicContact CB-CG1 4.21Å; A332-I336 HydrophobicContact CB-CG2 3.92Å; R333-I336 HydrophobicContact CB-CG1 4.28Å; R333-I336 WeakPolarHBondContact O-CB 3.04Å; R333-I336 PolarHBondContact O-N 2.95Å
337	E	82.4	Confident	89.5	Confident	165 Å²	165	35.5 Å²	35.5	77%	0.771	17%	0.169	S	C	*	.			trans	-100.9	148.9	176.4	-61.3	-159	158.7	0	0	112.1
338	V	86.7	Confident	89.5	Confident	12 Å²	12	35.6 Å²	35.6	7%	0.073	17%	0.168	C	C	.	.			trans	-130.2	141.4	176	176.5	0	0	0	0	107	F199 L286 L295 L330 R340 F342 L343	F199-V338 HydrophobicContact CD1-CG2 4.35Å; F199-V338 HydrophobicContact CD2-CG2 4.08Å; F199-V338 HydrophobicContact CE1-CB 4.46Å; F199-V338 HydrophobicContact CE1-CG2 3.95Å; F199-V338 HydrophobicContact CE2-CG2 3.66Å; F199-V338 HydrophobicContact CG-CG2 4.42Å; F199-V338 HydrophobicContact CZ-CG2 3.59Å; L286-V338 HydrophobicContact CD2-CG2 3.67Å; L295-V338 HydrophobicContact CD1-CG1 4.19Å; L330-V338 HydrophobicContact CD2-CG1 4.42Å; L330-V338 HydrophobicContact CD2-CG2 3.96Å; V338-R340 PolarHBondContact O-N 3.13Å; V338-F342 HydrophobicContact CG1-CB 4.38Å; V338-F342 HydrophobicContact CG1-CD2 4.25Å; V338-L343 HydrophobicContact CB-CD1 4.47Å; V338-L343 HydrophobicContact CB-CD2 4.05Å; V338-L343 HydrophobicContact CB-CG 4.46Å; V338-L343 HydrophobicContact CG1-CD2 3.76Å; V338-L343 HydrophobicContact CG1-CG 4.29Å
339	P	88.2	Confident	89.4	Confident	28 Å²	28	35.7 Å²	35.7	18%	0.182	17%	0.168	C	C	.	.			trans	-50.4	125.7	178.8	-29.6	36	0	0	0	112.3	L295 Q341 F342	L295-P339 HydrophobicContact CB-CG 3.73Å; P339-Q341 HydrophobicContact CB-CG 4.17Å; P339-Q341 PolarHBondContact O-N 3.18Å; P339-F342 HydrophobicContact CB-CD1 4.33Å; P339-F342 HydrophobicContact CB-CD2 4.1Å; P339-F342 HydrophobicContact CB-CE1 4.29Å; P339-F342 HydrophobicContact CB-CE2 4.14Å; P339-F342 HydrophobicContact CB-CG 4.19Å; P339-F342 HydrophobicContact CB-CZ 4.19Å; P339-F342 HydrophobicContact CG-CD2 4.12Å; P339-F342 HydrophobicContact CG-CE2 3.88Å; P339-F342 HydrophobicContact CG-CZ 4.17Å; P339-F342 WeakPolarHBondContact O-CB 2.78Å; P339-F342 PolarHBondContact O-N 3.2Å
340	R	89.3	Confident	89.1	Confident	174 Å²	174	42.3 Å²	42.3	66%	0.657	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-55.5	-30.6	-174.8	-61.8	-175.7	-175	177.2	0.9	113.2	F169 V338 F342 L343	F169-R340 HydrophobicContact CD1-CB 4.09Å; F169-R340 HydrophobicContact CD1-CG 3.77Å; F169-R340 HydrophobicContact CE1-CB 3.71Å; F169-R340 HydrophobicContact CE1-CG 3.94Å; F169-R340 HydrophobicContact CG-CG 4.49Å; F169-R340 HydrophobicContact CZ-CB 4.25Å; V338-R340 PolarHBondContact O-N 3.13Å; R340-F342 PolarHBondContact O-N 3.16Å; R340-L343 PolarHBondContact O-N 3.27Å
341	Q	88.6	Confident	88.8	Confident	119 Å²	119	42.3 Å²	42.3	56%	0.556	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-65.3	-22.9	178.3	69.6	-150.2	7.5	0	0	113.8	P339	P339-Q341 HydrophobicContact CB-CG 4.17Å; P339-Q341 PolarHBondContact O-N 3.18Å
342	F	90.5	Very high	88.7	Confident	11 Å²	11	43.1 Å²	43.1	5%	0.048	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-84.6	-24.7	179.1	-58.8	-6.1	0	0	0	111.9	E196 T197 L295 L318 S319 V338 P339 R340	E196-F342 PolarHBondContact N-O 2.8Å; E196-F342 VanDerWaalsContact N-O 3.12Å; T197-F342 WeakPolarHBondContact CB-O 3.29Å; T197-F342 PolarHBondContact N-O 3.01Å; L295-F342 HydrophobicContact CB-CE2 3.9Å; L295-F342 HydrophobicContact CD1-CE2 4.46Å; L295-F342 WeakPolarHBondContact O-CZ 3.27Å; L318-F342 HydrophobicContact CB-CD2 4.38Å; S319-F342 VanDerWaalsContact CB-CD1 3.5Å; V338-F342 HydrophobicContact CG1-CB 4.38Å; V338-F342 HydrophobicContact CG1-CD2 4.25Å; P339-F342 HydrophobicContact CB-CD1 4.33Å; P339-F342 HydrophobicContact CB-CD2 4.1Å; P339-F342 HydrophobicContact CB-CE1 4.29Å; P339-F342 HydrophobicContact CB-CE2 4.14Å; P339-F342 HydrophobicContact CB-CG 4.19Å; P339-F342 HydrophobicContact CB-CZ 4.19Å; P339-F342 HydrophobicContact CG-CD2 4.12Å; P339-F342 HydrophobicContact CG-CE2 3.88Å; P339-F342 HydrophobicContact CG-CZ 4.17Å; P339-F342 WeakPolarHBondContact O-CB 2.78Å; P339-F342 PolarHBondContact O-N 3.2Å; R340-F342 PolarHBondContact O-N 3.16Å
343	L	92.6	Very high	88.7	Confident	6 Å²	6	44.3 Å²	44.3	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	118.7	-166.3	-62.3	-174.1	0	0	0	112	F169 N192 T197 F199 V338 R340	F169-L343 HydrophobicContact CE1-CB 4.24Å; F169-L343 HydrophobicContact CE1-CD1 4.28Å; N192-L343 WeakPolarHBondContact CB-O 3Å; T197-L343 HydrophobicContact CG2-CD2 4.49Å; T197-L343 CarbonylContact O-C 3.54Å; T197-L343 WeakPolarHBondContact O-CA 3.46Å; F199-L343 HydrophobicContact CB-CD2 3.44Å; F199-L343 VanDerWaalsContact CB-CD2 3.44Å; F199-L343 HydrophobicContact CD1-CD1 4.32Å; F199-L343 HydrophobicContact CD1-CD2 4.26Å; F199-L343 HydrophobicContact CG-CD2 4.03Å; V338-L343 HydrophobicContact CB-CD1 4.47Å; V338-L343 HydrophobicContact CB-CD2 4.05Å; V338-L343 HydrophobicContact CB-CG 4.46Å; V338-L343 HydrophobicContact CG1-CD2 3.76Å; V338-L343 HydrophobicContact CG1-CG 4.29Å; R340-L343 PolarHBondContact O-N 3.27Å
344	R	92.8	Very high	88.8	Confident	55 Å²	55	46.6 Å²	46.6	21%	0.208	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-48.2	168.3	-164.4	179.7	-178.9	98.8	-1.6	112	I190 L191 G195 T197	I190-R344 HydrophobicContact CG2-CG 4.3Å; L191-R344 PolarHBondContact N-O 3.11Å; G195-R344 VanDerWaalsContact O-CB 3.25Å; G195-R344 WeakPolarHBondContact O-CB 3.36Å; G195-R344 WeakPolarHBondContact O-CG 3.29Å; T197-R344 PolarHBondContact O-N 2.86Å
345	K	93.7	Very high	89.2	Confident	1 Å²	1	49.1 Å²	49.1	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	153.5	179.4	-56.6	-167.4	-170.4	-168.8	0	109.3	C182 L183 D185 T188 I198 F199	C182-K345 PolarHBondContact O-NZ 3.42Å; L183-K345 PolarHBondContact O-NZ 3.27Å; D185-K345 WeakPolarHBondContact O-CE 3.22Å; D185-K345 PolarHBondContact O-NZ 2.92Å; T188-K345 WeakPolarHBondContact O-CD 3.48Å; T188-K345 WeakPolarHBondContact O-CE 3.4Å; T188-K345 PolarHBondContact O-NZ 3.13Å; T188-K345 PolarHBondContact OG1-NZ 3.08Å; I198-K345 HydrophobicContact CG1-CB 4.19Å; I198-K345 HydrophobicContact CG1-CD 4.39Å; I198-K345 HydrophobicContact CG1-CG 4.23Å; I198-K345 HydrophobicContact CG2-CB 4.25Å; F199-K345 PolarHBondContact N-O 3.38Å
346	K	94.1	Very high	89.9	Confident	20 Å²	20	50 Å²	50	9%	0.087	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.5	172.1	-168.9	-176.9	170.4	-171.9	0	108.7	V167 G168 F169 N171 L191 F199 L201	V167-K346 HydrophobicContact CG2-CB 4.08Å; V167-K346 HydrophobicContact CG2-CD 3.92Å; V167-K346 HydrophobicContact CG2-CG 3.66Å; V167-K346 PolarHBondContact N-O 3.49Å; V167-K346 WeakPolarHBondContact O-CB 3.48Å; G168-K346 WeakPolarHBondContact O-CD 3.28Å; G168-K346 PolarHBondContact O-NZ 3.26Å; F169-K346 PolarHBondContact O-NZ 3.37Å; N171-K346 WeakPolarHBondContact OD1-CE 3.17Å; N171-K346 PolarHBondContact OD1-NZ 2.85Å; L191-K346 HydrophobicContact CD1-CB 3.54Å; F199-K346 HydrophobicContact CD1-CG 4.15Å; F199-K346 CarbonylContact O-C 3.6Å; F199-K346 WeakPolarHBondContact O-CA 3.41Å; L201-K346 HydrophobicContact CD1-CD 4.28Å; L201-K346 HydrophobicContact CD1-CG 4.06Å
347	V	94.2	Very high	90.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	129.9	-173.6	-179.6	0	0	0	0	108.7	M164 E165 L166 L177 L183 F199 I200 L201	M164-V347 HydrophobicContact CB-CG1 4.1Å; E165-V347 CarbonylContact O-C 3.59Å; E165-V347 WeakPolarHBondContact O-CA 3.49Å; L166-V347 HydrophobicContact CD2-CG2 4.1Å; L177-V347 HydrophobicContact CD1-CG1 4.15Å; L177-V347 HydrophobicContact CD1-CG2 3.85Å; L183-V347 HydrophobicContact CD1-CG2 3.78Å; F199-V347 PolarHBondContact O-N 2.94Å; I200-V347 CarbonylContact C-O 3.37Å; I200-V347 WeakPolarHBondContact CA-O 3.3Å; L201-V347 PolarHBondContact N-O 3.4Å
348	L	93.2	Very high	90.8	Very high	22 Å²	22	45.9 Å²	45.9	12%	0.115	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.5	174.5	-178.8	61.4	0	0	0	109.8	E165 V167 L201 T334	E165-L348 PolarHBondContact N-O 3Å; E165-L348 PolarHBondContact O-N 3.09Å; V167-L348 HydrophobicContact CG1-CB 3.85Å; V167-L348 HydrophobicContact CG1-CD2 4.33Å; V167-L348 HydrophobicContact CG2-CB 4.21Å; L201-L348 HydrophobicContact CB-CD1 4.02Å; L201-L348 WeakPolarHBondContact O-CA 3.38Å; T334-L348 HydrophobicContact CG2-CD1 3.87Å
349	L	92.9	Very high	90.9	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	119.4	169.8	-60.1	-172.1	0	0	0	109.6	M164 I200 L201 V206 K208 L211	M164-L349 HydrophobicContact CB-CD2 4.31Å; M164-L349 HydrophobicContact CG-CD2 3.52Å; M164-L349 HydrophobicContact SD-CD2 4.32Å; I200-L349 HydrophobicContact CG2-CD1 3.9Å; I200-L349 HydrophobicContact CG2-CD2 4.27Å; I200-L349 HydrophobicContact CG2-CG 3.78Å; L201-L349 PolarHBondContact O-N 3.26Å; V206-L349 HydrophobicContact CG1-CB 3.76Å; V206-L349 HydrophobicContact CG1-CD1 4.2Å; V206-L349 HydrophobicContact CG2-CB 4.03Å; V206-L349 WeakPolarHBondContact CG2-O 3.48Å; K208-L349 HydrophobicContact CB-CD1 4.32Å; K208-L349 HydrophobicContact CG-CD1 3.73Å; L211-L349 HydrophobicContact CD2-CD1 4.16Å; L211-L349 HydrophobicContact CD2-CD2 4.25Å
350	R	89.4	Confident	91.1	Very high	140 Å²	140	45.9 Å²	45.9	53%	0.528	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-18.4	-179.6	-64.5	-72.7	-166.4	174.8	1.3	114.1	I163 E165	I163-R350 HydrophobicContact CB-CB 4.12Å; I163-R350 HydrophobicContact CG2-CB 4.29Å; I163-R350 HydrophobicContact CG2-CG 4.48Å; I163-R350 PolarHBondContact O-N 2.97Å; E165-R350 IonicContact OE1-NH2 3.88Å; E165-R350 IonicContact OE2-CZ 2.72Å; E165-R350 IonicContact OE2-NE 4Å; E165-R350 PolarHBondContact OE2-NE 2.88Å; E165-R350 IonicContact OE2-NH2 2.87Å; E165-R350 PolarHBondContact OE2-NH2 3.42Å
351	G	90.2	Very high	91.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98.6	-142.5	-177.5	0	0	0	0	0	113.5	T162 I163 S389	T162-G351 WeakPolarHBondContact CA-O 3.49Å; I163-G351 PolarHBondContact N-O 3.19Å; G351-S389 CarbonylContact C-O 3.42Å; G351-S389 WeakPolarHBondContact CA-O 3.49Å
352	F	91.4	Very high	91.1	Very high	17 Å²	17	39.3 Å²	39.3	8%	0.075	19%	0.188	C	C	.	.			trans	-94.6	138.8	-173.5	-71.1	-16.9	0	0	0	113.1	M160 T162 H356 Y360 S389 P391 C394	M160-F352 HydrophobicContact CB-CE1 3.78Å; M160-F352 HydrophobicContact CB-CZ 3.76Å; M160-F352 HydrophobicContact CG-CE1 3.79Å; M160-F352 HydrophobicContact CG-CZ 4.05Å; T162-F352 HydrophobicContact CG2-CD1 4.15Å; T162-F352 HydrophobicContact CG2-CE1 3.96Å; F352-H356 HydrophobicContact CB-CB 3.81Å; F352-H356 HydrophobicContact CD1-CB 3.64Å; F352-H356 HydrophobicContact CE1-CB 4.42Å; F352-H356 HydrophobicContact CG-CB 3.84Å; F352-Y360 HydrophobicContact CE2-CD1 4.06Å; F352-Y360 HydrophobicContact CE2-CD2 4.38Å; F352-Y360 AromaticContact CE2-CG 3.96Å; F352-Y360 HydrophobicContact CE2-CG 3.96Å; F352-Y360 HydrophobicContact CZ-CD2 4.25Å; F352-Y360 HydrophobicContact CZ-CG 4.25Å; F352-S389 PolarHBondContact N-O 3.02Å; F352-P391 HydrophobicContact CD1-CG 3.83Å; F352-P391 HydrophobicContact CD2-CB 4.49Å; F352-P391 HydrophobicContact CD2-CG 4.2Å; F352-P391 HydrophobicContact CE1-CB 4.16Å; F352-P391 HydrophobicContact CE1-CG 3.64Å; F352-P391 HydrophobicContact CE2-CB 3.94Å; F352-P391 HydrophobicContact CE2-CG 4.04Å; F352-P391 HydrophobicContact CG-CG 4.11Å; F352-P391 HydrophobicContact CZ-CB 3.75Å; F352-P391 HydrophobicContact CZ-CG 3.74Å; F352-C394 HydrophobicContact CD2-CB 4.11Å; F352-C394 HydrophobicContact CE2-CB 4.07Å
353	S	89.4	Confident	90.9	Very high	24 Å²	24	43 Å²	43	17%	0.168	20%	0.201	C	C	.	.			trans	-86	171.4	162.5	67	0	0	0	0	109.3	S355 H356 L357	S353-S355 PolarHBondContact O-N 3.02Å; S353-S355 PolarHBondContact OG-N 2.95Å; S353-S355 PolarHBondContact OG-OG 2.91Å; S353-H356 PolarHBondContact N-ND1 2.96Å; S353-H356 PolarHBondContact O-N 3.45Å; S353-H356 VanDerWaalsContact O-N 3.15Å; S353-H356 PolarHBondContact OG-N 3.1Å; S353-H356 VanDerWaalsContact OG-N 3.08Å; S353-H356 PolarHBondContact OG-ND1 3.17Å; S353-L357 PolarHBondContact O-N 2.98Å
354	P	86.2	Confident	90.4	Very high	89 Å²	89	44 Å²	44	58%	0.578	21%	0.206	S	C	*	.	H	α-helix	trans	-55.9	-30.1	168.7	-27.3	36.2	0	0	0	114	R358	P354-R358 WeakPolarHBondContact O-CG 3.33Å; P354-R358 PolarHBondContact O-N 3.26Å
355	S	89.8	Confident	90	Very high	73 Å²	73	41.7 Å²	41.7	51%	0.51	20%	0.198	S	C	.	.	H	α-helix	trans	-73.7	-41.9	175.5	55.9	0	0	0	0	112.2	S353 L357 R358 A359	S353-S355 PolarHBondContact O-N 3.02Å; S353-S355 PolarHBondContact OG-N 2.95Å; S353-S355 PolarHBondContact OG-OG 2.91Å; S355-L357 VanDerWaalsContact C-N 3.33Å; S355-L357 PolarHBondContact O-N 3.47Å; S355-R358 PolarHBondContact O-N 3.35Å; S355-A359 WeakPolarHBondContact O-CB 3.15Å; S355-A359 PolarHBondContact O-N 3.02Å
356	H	92	Very high	89.5	Confident	45 Å²	45	47.1 Å²	47.1	21%	0.208	23%	0.233	C	C	.	.	H	α-helix	trans	-60.6	-42.8	173.1	-64.8	124.3	0	0	0	111.2	D161 F352 S353 R358 A359 Y360	D161-H356 PolarHBondContact O-CD2 3.29Å; F352-H356 HydrophobicContact CB-CB 3.81Å; F352-H356 HydrophobicContact CD1-CB 3.64Å; F352-H356 HydrophobicContact CE1-CB 4.42Å; F352-H356 HydrophobicContact CG-CB 3.84Å; S353-H356 PolarHBondContact N-ND1 2.96Å; S353-H356 PolarHBondContact O-N 3.45Å; S353-H356 VanDerWaalsContact O-N 3.15Å; S353-H356 PolarHBondContact OG-N 3.1Å; S353-H356 VanDerWaalsContact OG-N 3.08Å; S353-H356 PolarHBondContact OG-ND1 3.17Å; H356-R358 PolarHBondContact O-N 3.08Å; H356-A359 PolarHBondContact O-N 2.8Å; H356-Y360 VanDerWaalsContact O-CB 3.32Å; H356-Y360 WeakPolarHBondContact O-CB 3.28Å; H356-Y360 PolarHBondContact O-N 3.26Å
357	L	90	Very high	89	Confident	16 Å²	16	51.4 Å²	51.4	8%	0.084	25%	0.253	C	S	.	.	H	α-helix	trans	-57.9	-45.7	176.7	178.6	58.8	0	0	0	112.3	S353 S355 Y360 A361 L375 C388 C394 F398	S353-L357 PolarHBondContact O-N 2.98Å; S355-L357 VanDerWaalsContact C-N 3.33Å; S355-L357 PolarHBondContact O-N 3.47Å; L357-Y360 PolarHBondContact O-N 3.02Å; L357-A361 WeakPolarHBondContact O-CB 3.31Å; L357-A361 PolarHBondContact O-N 3.21Å; L357-L375 HydrophobicContact CG-CD2 4.34Å; L357-C388 HydrophobicContact CD1-CB 3.8Å; L357-C388 HydrophobicContact CD2-CB 4.04Å; L357-C394 WeakPolarHBondContact CD1-SG 3.2Å; L357-F398 HydrophobicContact CD1-CE1 4.02Å; L357-F398 HydrophobicContact CD1-CZ 3.67Å
358	R	91.1	Very high	88.7	Confident	110 Å²	110	60.4 Å²	60.4	42%	0.415	29%	0.287	S	S	.	.	H	α-helix	trans	-66.3	-41.7	176.8	-68.5	177	-167.8	132.3	0.6	112.2	P354 S355 H356 Y360 A361 R362 L375	P354-R358 WeakPolarHBondContact O-CG 3.33Å; P354-R358 PolarHBondContact O-N 3.26Å; S355-R358 PolarHBondContact O-N 3.35Å; H356-R358 PolarHBondContact O-N 3.08Å; R358-Y360 VanDerWaalsContact C-N 3.28Å; R358-Y360 PolarHBondContact O-N 2.82Å; R358-A361 PolarHBondContact O-N 3.33Å; R358-R362 WeakPolarHBondContact O-CG 3.32Å; R358-R362 PolarHBondContact O-N 3.02Å; R358-L375 HydrophobicContact CG-CD1 4.03Å; R358-L375 HydrophobicContact CG-CD2 4.26Å
359	A	90.4	Very high	88.2	Confident	31 Å²	31	63 Å²	63	26%	0.256	31%	0.312	S	S	.	.	H	α-helix	trans	-62.4	-39.5	175.7	0	0	0	0	0	111.4	M160 S355 H356 R362 R363	M160-A359 HydrophobicContact CE-CB 3.85Å; M160-A359 HydrophobicContact SD-CB 3.98Å; S355-A359 WeakPolarHBondContact O-CB 3.15Å; S355-A359 PolarHBondContact O-N 3.02Å; H356-A359 PolarHBondContact O-N 2.8Å; A359-R362 PolarHBondContact O-N 2.76Å; A359-R363 PolarHBondContact O-N 3.34Å
360	Y	90.7	Very high	87.6	Confident	9 Å²	9	64.3 Å²	64.3	4%	0.035	32%	0.319	C	S	.	.	H	α-helix	trans	-67.5	-41.8	176.4	-166.6	-114.8	0	0	0	112	I158 M160 F352 H356 L357 R358 R362 R363 M364 C394 W395 F398	I158-Y360 HydrophobicContact CG2-CE2 4.36Å; I158-Y360 WeakPolarHBondContact O-CE2 3.46Å; M160-Y360 HydrophobicContact CB-CD2 4.02Å; M160-Y360 HydrophobicContact CE-CD2 4.38Å; F352-Y360 HydrophobicContact CE2-CD1 4.06Å; F352-Y360 HydrophobicContact CE2-CD2 4.38Å; F352-Y360 AromaticContact CE2-CG 3.96Å; F352-Y360 HydrophobicContact CE2-CG 3.96Å; F352-Y360 HydrophobicContact CZ-CD2 4.25Å; F352-Y360 HydrophobicContact CZ-CG 4.25Å; H356-Y360 VanDerWaalsContact O-CB 3.32Å; H356-Y360 WeakPolarHBondContact O-CB 3.28Å; H356-Y360 PolarHBondContact O-N 3.26Å; L357-Y360 PolarHBondContact O-N 3.02Å; R358-Y360 VanDerWaalsContact C-N 3.28Å; R358-Y360 PolarHBondContact O-N 2.82Å; Y360-R362 PolarHBondContact O-N 3.26Å; Y360-R363 PolarHBondContact O-N 3.39Å; Y360-M364 HydrophobicContact CD1-CG 4.16Å; Y360-M364 HydrophobicContact CD2-CG 4.35Å; Y360-M364 HydrophobicContact CE1-CG 3.82Å; Y360-M364 HydrophobicContact CE2-CG 4.02Å; Y360-M364 HydrophobicContact CE2-SD 4.19Å; Y360-M364 HydrophobicContact CG-CG 4.41Å; Y360-M364 WeakPolarHBondContact O-CG 3.34Å; Y360-M364 PolarHBondContact O-N 3.18Å; Y360-C394 VanDerWaalsContact CD1-SG 3.52Å; Y360-W395 VanDerWaalsContact OH-CD1 3.26Å; Y360-F398 AromaticContact CD1-CD2 3.71Å; Y360-F398 HydrophobicContact CD1-CD2 3.71Å; Y360-F398 AromaticContact CD1-CE2 3.4Å; Y360-F398 HydrophobicContact CD1-CE2 3.4Å; Y360-F398 VanDerWaalsContact CD1-CE2 3.4Å; Y360-F398 HydrophobicContact CD1-CZ 4.15Å; Y360-F398 AromaticContact CE1-CD2 3.77Å; Y360-F398 HydrophobicContact CE1-CD2 3.77Å; Y360-F398 AromaticContact CE1-CE2 3.98Å; Y360-F398 HydrophobicContact CE1-CE2 3.98Å; Y360-F398 HydrophobicContact CE1-CG 4.5Å; Y360-F398 HydrophobicContact CG-CE2 4.32Å
361	A	89.1	Confident	87.5	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.8	-44.8	173.5	0	0	0	0	0	112.1	L357 R358 R363 M364 F365 L374 L375 F398	L357-A361 WeakPolarHBondContact O-CB 3.31Å; L357-A361 PolarHBondContact O-N 3.21Å; R358-A361 PolarHBondContact O-N 3.33Å; A361-R363 PolarHBondContact O-N 2.99Å; A361-M364 PolarHBondContact O-N 3.1Å; A361-F365 WeakPolarHBondContact O-CB 3.42Å; A361-F365 PolarHBondContact O-N 2.53Å; A361-L374 HydrophobicContact CB-CD2 4.46Å; A361-L375 HydrophobicContact CB-CD1 4.37Å; A361-L375 HydrophobicContact CB-CD2 4.07Å; A361-L375 HydrophobicContact CB-CG 4.22Å; A361-F398 HydrophobicContact CB-CE2 3.95Å; A361-F398 HydrophobicContact CB-CZ 4.02Å
362	R	89.9	Confident	87.1	Confident	155 Å²	155	62.9 Å²	62.9	59%	0.585	32%	0.321	S	S	*	.	H	α-helix	trans	-58.3	-36.4	176.1	-72.1	170.3	-166.6	159.8	3.2	113.2	R358 A359 Y360 F365 Q371	R358-R362 WeakPolarHBondContact O-CG 3.32Å; R358-R362 PolarHBondContact O-N 3.02Å; A359-R362 PolarHBondContact O-N 2.76Å; Y360-R362 PolarHBondContact O-N 3.26Å; R362-F365 CarbonylContact O-C 3.57Å; R362-Q371 VanDerWaalsContact CG-OE1 3.32Å
363	R	86.5	Confident	86.6	Confident	88 Å²	88	66.2 Å²	66.2	33%	0.332	33%	0.333	S	S	.	.	H	α-helix	trans	-78.7	-41.3	-176.9	-167.6	162.9	177.5	-173.9	-24.1	112.6	E156 E157 I158 Y159 A359 Y360 A361	E156-R363 VanDerWaalsContact O-CZ 3.29Å; E156-R363 PolarHBondContact O-NH2 3.29Å; E157-R363 WeakPolarHBondContact O-CD 3.21Å; E157-R363 WeakPolarHBondContact O-CG 3.16Å; E157-R363 PolarHBondContact O-NE 3.04Å; I158-R363 VanDerWaalsContact N-NH2 3.12Å; Y159-R363 VanDerWaalsContact N-NH2 3.2Å; Y159-R363 PolarHBondContact O-NH1 3.4Å; Y159-R363 PolarHBondContact O-NH2 3.49Å; A359-R363 PolarHBondContact O-N 3.34Å; Y360-R363 PolarHBondContact O-N 3.39Å; A361-R363 PolarHBondContact O-N 2.99Å
364	M	82.1	Confident	86.3	Confident	26 Å²	26	65.3 Å²	65.3	13%	0.128	33%	0.326	C	S	.	.	H	α-helix	trans	-78	-24.2	179.6	-64.7	-62.9	-67.7	0	0	113.3	Y360 A361 F398 Q402	Y360-M364 HydrophobicContact CD1-CG 4.16Å; Y360-M364 HydrophobicContact CD2-CG 4.35Å; Y360-M364 HydrophobicContact CE1-CG 3.82Å; Y360-M364 HydrophobicContact CE2-CG 4.02Å; Y360-M364 HydrophobicContact CE2-SD 4.19Å; Y360-M364 HydrophobicContact CG-CG 4.41Å; Y360-M364 WeakPolarHBondContact O-CG 3.34Å; Y360-M364 PolarHBondContact O-N 3.18Å; A361-M364 PolarHBondContact O-N 3.1Å; M364-F398 HydrophobicContact CB-CD2 3.98Å; M364-F398 HydrophobicContact CG-CD2 4Å; M364-Q402 PolarHBondContact O-NE2 3.03Å
365	F	83.6	Confident	86.3	Confident	8 Å²	8	62.3 Å²	62.3	4%	0.035	31%	0.305	C	S	.	.			trans	-130.1	92.9	179.9	-58.5	-85.1	0	0	0	109.2	A361 R362 E367 L370 Q371 L374 F398 F401 Q402	A361-F365 WeakPolarHBondContact O-CB 3.42Å; A361-F365 PolarHBondContact O-N 2.53Å; R362-F365 CarbonylContact O-C 3.57Å; F365-E367 PolarHBondContact O-N 3.44Å; F365-L370 HydrophobicContact CB-CB 4.44Å; F365-Q371 HydrophobicContact CB-CG 4Å; F365-Q371 VanDerWaalsContact O-CD 3.29Å; F365-Q371 WeakPolarHBondContact O-CG 3.42Å; F365-Q371 PolarHBondContact O-NE2 2.93Å; F365-L374 HydrophobicContact CD2-CD2 3.62Å; F365-L374 HydrophobicContact CE2-CD2 3.24Å; F365-L374 HydrophobicContact CZ-CD2 3.96Å; F365-F398 HydrophobicContact CD2-CD2 4.32Å; F365-F398 HydrophobicContact CE2-CB 3.97Å; F365-F398 AromaticContact CE2-CD2 3.6Å; F365-F398 HydrophobicContact CE2-CD2 3.6Å; F365-F398 HydrophobicContact CE2-CE2 4.24Å; F365-F398 AromaticContact CE2-CG 3.86Å; F365-F398 HydrophobicContact CE2-CG 3.86Å; F365-F398 HydrophobicContact CZ-CB 4.18Å; F365-F401 AromaticContact CE1-CD1 3.68Å; F365-F401 HydrophobicContact CE1-CD1 3.68Å; F365-F401 HydrophobicContact CE1-CE1 4.16Å; F365-F401 AromaticContact CZ-CD1 3.76Å; F365-F401 HydrophobicContact CZ-CD1 3.76Å; F365-Q402 HydrophobicContact CE1-CG 3.54Å; F365-Q402 HydrophobicContact CZ-CG 3.78Å
366	P	83.1	Confident	85.9	Confident	114 Å²	114	60.4 Å²	60.4	74%	0.74	29%	0.292	S	S	*	.			trans	-59.1	-29.9	-179.5	-26.2	34.9	0	0	0	113.6	R368 Q371	P366-R368 PolarHBondContact O-N 2.53Å; P366-Q371 PolarHBondContact O-NE2 3.45Å
367	E	84.9	Confident	85.3	Confident	110 Å²	110	60.1 Å²	60.1	51%	0.514	29%	0.291	S	S	.	.	S	Bend	trans	-76.3	116.4	179.7	-67	176	-118.7	0	0	112.2	F365 A369 L370 Q371 R405	F365-E367 PolarHBondContact O-N 3.44Å; E367-A369 VanDerWaalsContact C-N 3.31Å; E367-A369 PolarHBondContact O-N 3.27Å; E367-L370 HydrophobicContact CB-CB 4.33Å; E367-L370 HydrophobicContact CB-CD1 3.4Å; E367-L370 HydrophobicContact CB-CG 4.47Å; E367-L370 HydrophobicContact CG-CD1 3.93Å; E367-L370 PolarHBondContact O-N 2.81Å; E367-L370 WeakPolarHBondContact OE2-CD1 3.18Å; E367-Q371 WeakPolarHBondContact O-CG 3.34Å; E367-Q371 PolarHBondContact O-N 2.89Å; E367-Q371 VanDerWaalsContact O-N 3.11Å; E367-R405 IonicContact OE1-NH1 2.72Å
368	R	87.1	Confident	85.1	Confident	190 Å²	190	59.7 Å²	59.7	72%	0.717	29%	0.288	S	S	*	.	H	α-helix	trans	-55.9	-40.6	-178.2	-170.1	173.4	-178.7	171.9	1.5	113.9	P366 L370 Q371 D372	P366-R368 PolarHBondContact O-N 2.53Å; R368-L370 VanDerWaalsContact C-N 3.27Å; R368-L370 PolarHBondContact O-N 3.37Å; R368-Q371 WeakPolarHBondContact O-CB 3.05Å; R368-Q371 PolarHBondContact O-N 3.05Å; R368-D372 PolarHBondContact O-N 3.35Å
369	A	82.5	Confident	84.6	Confident	77 Å²	77	59.9 Å²	59.9	64%	0.636	29%	0.294	S	S	*	.	H	α-helix	trans	-61.5	-35.4	178.8	0	0	0	0	0	112.8	E367 R373	E367-A369 VanDerWaalsContact C-N 3.31Å; E367-A369 PolarHBondContact O-N 3.27Å; A369-R373 WeakPolarHBondContact O-CB 3.38Å; A369-R373 PolarHBondContact O-N 3.3Å; A369-R373 VanDerWaalsContact O-N 3.08Å
370	L	81.1	Confident	83.8	Confident	29 Å²	29	58.4 Å²	58.4	15%	0.152	28%	0.282	C	S	.	.	H	α-helix	trans	-75	-37.9	175.8	-78	119.8	0	0	0	112.1	F365 E367 R368 D372 R373 L374 F401	F365-L370 HydrophobicContact CB-CB 4.44Å; E367-L370 HydrophobicContact CB-CB 4.33Å; E367-L370 HydrophobicContact CB-CD1 3.4Å; E367-L370 HydrophobicContact CB-CG 4.47Å; E367-L370 HydrophobicContact CG-CD1 3.93Å; E367-L370 PolarHBondContact O-N 2.81Å; E367-L370 WeakPolarHBondContact OE2-CD1 3.18Å; R368-L370 VanDerWaalsContact C-N 3.27Å; R368-L370 PolarHBondContact O-N 3.37Å; L370-D372 VanDerWaalsContact C-N 3.33Å; L370-D372 PolarHBondContact O-N 2.96Å; L370-R373 PolarHBondContact O-N 2.89Å; L370-L374 WeakPolarHBondContact O-CB 3.43Å; L370-L374 PolarHBondContact O-N 3.11Å; L370-F401 HydrophobicContact CD2-CE1 4.21Å
371	Q	86.1	Confident	83.2	Confident	22 Å²	22	59.5 Å²	59.5	10%	0.103	29%	0.288	C	S	.	.	H	α-helix	trans	-56.7	-50.7	173.3	-60.8	166.2	20	0	0	110.3	R362 F365 P366 E367 R368 R373 L374 L375	R362-Q371 VanDerWaalsContact CG-OE1 3.32Å; F365-Q371 HydrophobicContact CB-CG 4Å; F365-Q371 VanDerWaalsContact O-CD 3.29Å; F365-Q371 WeakPolarHBondContact O-CG 3.42Å; F365-Q371 PolarHBondContact O-NE2 2.93Å; P366-Q371 PolarHBondContact O-NE2 3.45Å; E367-Q371 WeakPolarHBondContact O-CG 3.34Å; E367-Q371 PolarHBondContact O-N 2.89Å; E367-Q371 VanDerWaalsContact O-N 3.11Å; R368-Q371 WeakPolarHBondContact O-CB 3.05Å; R368-Q371 PolarHBondContact O-N 3.05Å; Q371-R373 VanDerWaalsContact C-N 3.33Å; Q371-R373 PolarHBondContact O-N 2.9Å; Q371-L374 PolarHBondContact O-N 3.24Å; Q371-L375 WeakPolarHBondContact O-CB 3.49Å; Q371-L375 VanDerWaalsContact O-CG 3.26Å; Q371-L375 WeakPolarHBondContact O-CG 3.07Å; Q371-L375 PolarHBondContact O-N 3.27Å
372	D	82.3	Confident	82.5	Confident	87 Å²	87	62.6 Å²	62.6	47%	0.465	31%	0.308	S	S	.	.	H	α-helix	trans	-64.5	-38.2	-178.5	-66	-25.2	0	0	0	111.2	R368 L370 S376	R368-D372 PolarHBondContact O-N 3.35Å; L370-D372 VanDerWaalsContact C-N 3.33Å; L370-D372 PolarHBondContact O-N 2.96Å; D372-S376 VanDerWaalsContact O-CB 3.28Å; D372-S376 WeakPolarHBondContact O-CB 3.3Å; D372-S376 PolarHBondContact O-N 3.48Å; D372-S376 PolarHBondContact O-OG 3.1Å
373	R	80.2	Confident	81.8	Confident	88 Å²	88	58 Å²	58	33%	0.332	30%	0.296	S	S	.	.	H	α-helix	trans	-65.4	-45.8	174.9	-171.9	174.5	-173.7	174.1	1.8	112.7	A369 L370 Q371 S376 Q377 D416	A369-R373 WeakPolarHBondContact O-CB 3.38Å; A369-R373 PolarHBondContact O-N 3.3Å; A369-R373 VanDerWaalsContact O-N 3.08Å; L370-R373 PolarHBondContact O-N 2.89Å; Q371-R373 VanDerWaalsContact C-N 3.33Å; Q371-R373 PolarHBondContact O-N 2.9Å; R373-S376 WeakPolarHBondContact CA-OG 3.17Å; R373-S376 PolarHBondContact O-OG 3.37Å; R373-Q377 WeakPolarHBondContact O-CB 3.49Å; R373-Q377 WeakPolarHBondContact O-CG 3.13Å; R373-Q377 PolarHBondContact O-N 3.31Å; R373-D416 IonicContact CZ-OD1 2.65Å; R373-D416 IonicContact NH2-OD1 3.59Å; R373-D416 PolarHBondContact NH2-OD1 3.47Å
374	L	84.1	Confident	81.4	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-63	-48.1	177.8	172.6	65.5	0	0	0	111.2	A361 F365 L370 Q371 S376 Q377 L378 F398 F401	A361-L374 HydrophobicContact CB-CD2 4.46Å; F365-L374 HydrophobicContact CD2-CD2 3.62Å; F365-L374 HydrophobicContact CE2-CD2 3.24Å; F365-L374 HydrophobicContact CZ-CD2 3.96Å; L370-L374 WeakPolarHBondContact O-CB 3.43Å; L370-L374 PolarHBondContact O-N 3.11Å; Q371-L374 PolarHBondContact O-N 3.24Å; L374-S376 PolarHBondContact O-N 3.36Å; L374-Q377 WeakPolarHBondContact O-CB 3.21Å; L374-Q377 PolarHBondContact O-N 3.06Å; L374-L378 HydrophobicContact CD1-CD1 4.17Å; L374-L378 HydrophobicContact CD1-CG 4.37Å; L374-L378 HydrophobicContact CG-CD1 4.14Å; L374-L378 WeakPolarHBondContact O-CG 3.45Å; L374-L378 PolarHBondContact O-N 3.09Å; L374-F398 HydrophobicContact CD1-CD1 4.27Å; L374-F398 HydrophobicContact CD1-CE1 4.36Å; L374-F398 HydrophobicContact CD2-CD1 3.82Å; L374-F398 HydrophobicContact CD2-CD2 4.1Å; L374-F398 HydrophobicContact CD2-CE1 3.69Å; L374-F398 HydrophobicContact CD2-CE2 3.95Å; L374-F398 HydrophobicContact CD2-CG 4.03Å; L374-F398 HydrophobicContact CD2-CZ 3.72Å; L374-F398 HydrophobicContact CG-CD1 4.49Å; L374-F398 HydrophobicContact CG-CE1 4.24Å; L374-F401 HydrophobicContact CB-CE1 4.29Å; L374-F401 HydrophobicContact CB-CZ 4.35Å; L374-F401 HydrophobicContact CD1-CB 4.21Å; L374-F401 HydrophobicContact CD1-CD1 4.23Å; L374-F401 HydrophobicContact CD1-CD2 4.02Å; L374-F401 HydrophobicContact CD1-CE2 4.47Å; L374-F401 HydrophobicContact CD1-CG 3.89Å
375	L	86.1	Confident	81.4	Confident	26 Å²	26	55.6 Å²	55.6	14%	0.136	29%	0.292	C	S	.	.	H	α-helix	trans	-64.2	-42.2	-179	-69.7	172.2	0	0	0	111.2	L357 R358 A361 Q371 Q377 L378 E379	L357-L375 HydrophobicContact CG-CD2 4.34Å; R358-L375 HydrophobicContact CG-CD1 4.03Å; R358-L375 HydrophobicContact CG-CD2 4.26Å; A361-L375 HydrophobicContact CB-CD1 4.37Å; A361-L375 HydrophobicContact CB-CD2 4.07Å; A361-L375 HydrophobicContact CB-CG 4.22Å; Q371-L375 WeakPolarHBondContact O-CB 3.49Å; Q371-L375 VanDerWaalsContact O-CG 3.26Å; Q371-L375 WeakPolarHBondContact O-CG 3.07Å; Q371-L375 PolarHBondContact O-N 3.27Å; L375-Q377 VanDerWaalsContact C-N 3.32Å; L375-Q377 PolarHBondContact O-N 3.29Å; L375-L378 PolarHBondContact O-N 2.92Å; L375-E379 WeakPolarHBondContact O-CB 3.44Å; L375-E379 WeakPolarHBondContact O-CG 3.44Å; L375-E379 PolarHBondContact O-N 2.65Å
376	S	81.3	Confident	81.1	Confident	33 Å²	33	57.8 Å²	57.8	23%	0.231	31%	0.309	C	S	.	.	H	α-helix	trans	-63.5	-35.6	174.7	56.1	0	0	0	0	112.9	D372 R373 L374 A380	D372-S376 VanDerWaalsContact O-CB 3.28Å; D372-S376 WeakPolarHBondContact O-CB 3.3Å; D372-S376 PolarHBondContact O-N 3.48Å; D372-S376 PolarHBondContact O-OG 3.1Å; R373-S376 WeakPolarHBondContact CA-OG 3.17Å; R373-S376 PolarHBondContact O-OG 3.37Å; L374-S376 PolarHBondContact O-N 3.36Å; S376-A380 WeakPolarHBondContact O-CB 3.39Å; S376-A380 PolarHBondContact O-N 3.16Å
377	Q	80.1	Confident	81	Confident	40 Å²	40	52.9 Å²	52.9	19%	0.187	28%	0.276	C	S	.	.	H	α-helix	trans	-66.1	-38.8	173	-81.4	-173.1	-8	0	0	113.5	R373 L374 L375 A380 N381 Y718	R373-Q377 WeakPolarHBondContact O-CB 3.49Å; R373-Q377 WeakPolarHBondContact O-CG 3.13Å; R373-Q377 PolarHBondContact O-N 3.31Å; L374-Q377 WeakPolarHBondContact O-CB 3.21Å; L374-Q377 PolarHBondContact O-N 3.06Å; L375-Q377 VanDerWaalsContact C-N 3.32Å; L375-Q377 PolarHBondContact O-N 3.29Å; Q377-A380 WeakPolarHBondContact O-CB 3.12Å; Q377-A380 PolarHBondContact O-N 2.55Å; Q377-N381 PolarHBondContact O-N 3.19Å; Q377-Y718 HydrophobicContact CB-CE2 4.42Å; Q377-Y718 HydrophobicContact CG-CE2 3.42Å; Q377-Y718 VanDerWaalsContact CG-CE2 3.42Å; Q377-Y718 VanDerWaalsContact CG-CZ 3.47Å; Q377-Y718 VanDerWaalsContact CG-OH 3.25Å; Q377-Y718 WeakPolarHBondContact CG-OH 3.4Å; Q377-Y718 PolarHBondContact NE2-OH 2.81Å; Q377-Y718 VanDerWaalsContact NE2-OH 3.09Å
378	L	84	Confident	81.2	Confident	6 Å²	6	47.7 Å²	47.7	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-68.1	-47.1	175.6	-67.9	170.2	0	0	0	110.4	L374 L375 A380 N381 L384 C385 I397 F398	L374-L378 HydrophobicContact CD1-CD1 4.17Å; L374-L378 HydrophobicContact CD1-CG 4.37Å; L374-L378 HydrophobicContact CG-CD1 4.14Å; L374-L378 WeakPolarHBondContact O-CG 3.45Å; L374-L378 PolarHBondContact O-N 3.09Å; L375-L378 PolarHBondContact O-N 2.92Å; L378-A380 PolarHBondContact O-N 3.09Å; L378-N381 CarbonylContact O-C 3.56Å; L378-N381 PolarHBondContact O-N 3.4Å; L378-L384 HydrophobicContact CD2-CB 4.3Å; L378-C385 HydrophobicContact CB-CB 4.43Å; L378-C385 WeakPolarHBondContact O-CB 3.44Å; L378-I397 HydrophobicContact CD2-CG2 3.88Å; L378-F398 HydrophobicContact CD1-CE1 3.79Å
379	E	80.5	Confident	81.1	Confident	114 Å²	114	41.2 Å²	41.2	53%	0.533	24%	0.236	S	C	.	.	H	α-helix	trans	-60	-34.8	175.7	-71.8	176.5	178	0	0	112.2	L375 N381	L375-E379 WeakPolarHBondContact O-CB 3.44Å; L375-E379 WeakPolarHBondContact O-CG 3.44Å; L375-E379 PolarHBondContact O-N 2.65Å; E379-N381 PolarHBondContact O-N 3.4Å
380	A	74.6	Confident	81.3	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-65.8	-20.3	173	0	0	0	0	0	114.4	S376 Q377 L378 A690 Y718	S376-A380 WeakPolarHBondContact O-CB 3.39Å; S376-A380 PolarHBondContact O-N 3.16Å; Q377-A380 WeakPolarHBondContact O-CB 3.12Å; Q377-A380 PolarHBondContact O-N 2.55Å; L378-A380 PolarHBondContact O-N 3.09Å; A380-A690 PolarHBondContact O-N 3.46Å; A380-Y718 HydrophobicContact CB-CD1 3.39Å; A380-Y718 HydrophobicContact CB-CD2 4.38Å; A380-Y718 HydrophobicContact CB-CE1 3.89Å; A380-Y718 HydrophobicContact CB-CG 3.71Å
381	N	78.5	Confident	81.6	Confident	32 Å²	32	37.5 Å²	37.5	17%	0.171	21%	0.207	C	C	.	.			trans	-128.2	89.2	179.5	-169.6	-26.5	0	0	0	111.1	Q377 L378 E379 N383 L384 C385 A690	Q377-N381 PolarHBondContact O-N 3.19Å; L378-N381 CarbonylContact O-C 3.56Å; L378-N381 PolarHBondContact O-N 3.4Å; E379-N381 PolarHBondContact O-N 3.4Å; N381-N383 PolarHBondContact O-N 3.38Å; N381-N383 VanDerWaalsContact O-N 3.11Å; N381-N383 PolarHBondContact OD1-N 2.94Å; N381-L384 HydrophobicContact CB-CB 4.13Å; N381-L384 HydrophobicContact CB-CD1 4.15Å; N381-L384 HydrophobicContact CB-CG 4.32Å; N381-L384 VanDerWaalsContact ND2-CD1 3.31Å; N381-L384 WeakPolarHBondContact ND2-CD1 3.16Å; N381-L384 PolarHBondContact O-N 3.34Å; N381-L384 PolarHBondContact OD1-N 3.31Å; N381-C385 PolarHBondContact O-N 3.19Å; N381-A690 HydrophobicContact CB-CB 4.1Å
382	P	74.7	Confident	81.4	Confident	64 Å²	64	36.5 Å²	36.5	42%	0.416	20%	0.202	S	C	.	.	H	α-helix	trans	-54.8	-34.3	-177.8	-27.9	35.1	0	0	0	114.1	C385 S386	P382-C385 PolarHBondContact O-N 3.02Å; P382-S386 WeakPolarHBondContact O-CB 3.48Å; P382-S386 PolarHBondContact O-N 3.1Å
383	N	73.7	Confident	81.4	Confident	60 Å²	60	32.5 Å²	32.5	32%	0.321	18%	0.181	S	C	.	.	H	α-helix	trans	-65.7	-46.8	178.5	-63.3	-51.3	0	0	0	111.2	N381 S386	N381-N383 PolarHBondContact O-N 3.38Å; N381-N383 VanDerWaalsContact O-N 3.11Å; N381-N383 PolarHBondContact OD1-N 2.94Å; N383-S386 PolarHBondContact O-N 2.88Å; N383-S386 PolarHBondContact O-OG 3.23Å
384	L	78.4	Confident	81.7	Confident	21 Å²	21	28.3 Å²	28.3	11%	0.11	17%	0.165	C	C	.	.	H	α-helix	trans	-66.6	-41.2	175.5	-72.2	178.6	0	0	0	111.9	L378 N381 S386 L387 C388 I397 L421 V424	L378-L384 HydrophobicContact CD2-CB 4.3Å; N381-L384 HydrophobicContact CB-CB 4.13Å; N381-L384 HydrophobicContact CB-CD1 4.15Å; N381-L384 HydrophobicContact CB-CG 4.32Å; N381-L384 VanDerWaalsContact ND2-CD1 3.31Å; N381-L384 WeakPolarHBondContact ND2-CD1 3.16Å; N381-L384 PolarHBondContact O-N 3.34Å; N381-L384 PolarHBondContact OD1-N 3.31Å; L384-S386 VanDerWaalsContact C-N 3.3Å; L384-S386 PolarHBondContact O-N 2.88Å; L384-L387 HydrophobicContact CD2-CD1 4.47Å; L384-L387 WeakPolarHBondContact O-CB 3.36Å; L384-L387 PolarHBondContact O-N 3.22Å; L384-C388 PolarHBondContact O-N 3.31Å; L384-I397 HydrophobicContact CD2-CD1 4.5Å; L384-L421 HydrophobicContact CD2-CD1 3.51Å; L384-L421 HydrophobicContact CG-CD1 4.22Å; L384-V424 HydrophobicContact CD2-CG1 4.33Å; L384-V424 HydrophobicContact CD2-CG2 4.16Å
385	C	82	Confident	81.6	Confident	41 Å²	41	28.6 Å²	28.6	28%	0.277	17%	0.166	S	C	.	.	H	α-helix	trans	-60	-40.6	178	-162.2	0	0	0	0	112.1	L378 N381 P382 L387 C388	L378-C385 HydrophobicContact CB-CB 4.43Å; L378-C385 WeakPolarHBondContact O-CB 3.44Å; N381-C385 PolarHBondContact O-N 3.19Å; P382-C385 PolarHBondContact O-N 3.02Å; C385-L387 VanDerWaalsContact C-N 3.29Å; C385-L387 PolarHBondContact O-N 3.19Å; C385-C388 WeakPolarHBondContact O-CB 3.36Å; C385-C388 PolarHBondContact O-N 3.42Å; C385-C388 VanDerWaalsContact O-N 3.09Å
386	S	78.3	Confident	81.3	Confident	55 Å²	55	27.3 Å²	27.3	39%	0.385	16%	0.159	S	C	.	.	H	α-helix	trans	-61.9	-35.6	178.8	73.6	0	0	0	0	112.9	P382 N383 L384 C388 S389	P382-S386 WeakPolarHBondContact O-CB 3.48Å; P382-S386 PolarHBondContact O-N 3.1Å; N383-S386 PolarHBondContact O-N 2.88Å; N383-S386 PolarHBondContact O-OG 3.23Å; L384-S386 VanDerWaalsContact C-N 3.3Å; L384-S386 PolarHBondContact O-N 2.88Å; S386-C388 VanDerWaalsContact C-N 3.29Å; S386-C388 PolarHBondContact O-N 3.49Å; S386-S389 WeakPolarHBondContact O-CB 3.22Å; S386-S389 PolarHBondContact O-N 2.89Å; S386-S389 PolarHBondContact O-OG 2.97Å
387	L	81.5	Confident	81.2	Confident	10 Å²	10	26 Å²	26	5%	0.052	15%	0.149	C	C	.	.	H	α-helix	trans	-66.4	-30.7	175.9	-63.5	173.3	0	0	0	111.9	L384 C385 S389 V390 F393 I397 F425	L384-L387 HydrophobicContact CD2-CD1 4.47Å; L384-L387 WeakPolarHBondContact O-CB 3.36Å; L384-L387 PolarHBondContact O-N 3.22Å; C385-L387 VanDerWaalsContact C-N 3.29Å; C385-L387 PolarHBondContact O-N 3.19Å; L387-S389 PolarHBondContact O-N 3.25Å; L387-S389 VanDerWaalsContact O-N 3.11Å; L387-V390 PolarHBondContact O-N 3.3Å; L387-V390 VanDerWaalsContact O-N 3.09Å; L387-F393 HydrophobicContact CB-CB 4.12Å; L387-F393 HydrophobicContact CB-CD1 4.46Å; L387-F393 HydrophobicContact CB-CG 4.38Å; L387-F393 HydrophobicContact CD2-CD1 4.48Å; L387-F393 WeakPolarHBondContact O-CB 3.28Å; L387-I397 HydrophobicContact CB-CD1 4.08Å; L387-F425 HydrophobicContact CD1-CE2 4.08Å; L387-F425 HydrophobicContact CD1-CZ 4.11Å
388	C	87.1	Confident	81.4	Confident	2 Å²	2	24 Å²	24	1%	0.014	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-6.8	178.5	-72.4	0	0	0	0	114.4	L357 L384 C385 S386 V390 C394 I397	L357-C388 HydrophobicContact CD1-CB 3.8Å; L357-C388 HydrophobicContact CD2-CB 4.04Å; L384-C388 PolarHBondContact O-N 3.31Å; C385-C388 WeakPolarHBondContact O-CB 3.36Å; C385-C388 PolarHBondContact O-N 3.42Å; C385-C388 VanDerWaalsContact O-N 3.09Å; S386-C388 VanDerWaalsContact C-N 3.29Å; S386-C388 PolarHBondContact O-N 3.49Å; C388-V390 PolarHBondContact O-N 3.24Å; C388-C394 HydrophobicContact CB-CB 4.26Å; C388-I397 VanDerWaalsContact SG-CD1 3.59Å
389	S	86.5	Confident	81.1	Confident	54 Å²	54	27 Å²	27	38%	0.378	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.5	167.6	61.2	0	0	0	0	112.5	G351 F352 S386 L387	G351-S389 CarbonylContact C-O 3.42Å; G351-S389 WeakPolarHBondContact CA-O 3.49Å; F352-S389 PolarHBondContact N-O 3.02Å; S386-S389 WeakPolarHBondContact O-CB 3.22Å; S386-S389 PolarHBondContact O-N 2.89Å; S386-S389 PolarHBondContact O-OG 2.97Å; L387-S389 PolarHBondContact O-N 3.25Å; L387-S389 VanDerWaalsContact O-N 3.11Å
390	V	86.1	Confident	80.7	Confident	13 Å²	13	21.8 Å²	21.8	8%	0.079	13%	0.127	C	C	.	.	S	Bend	trans	-101.9	117.8	178.5	178.3	0	0	0	0	108.6	L387 C388 L392 F393 C394 F516	L387-V390 PolarHBondContact O-N 3.3Å; L387-V390 VanDerWaalsContact O-N 3.09Å; C388-V390 PolarHBondContact O-N 3.24Å; V390-L392 VanDerWaalsContact C-N 3.26Å; V390-L392 HydrophobicContact CG1-CB 4.37Å; V390-L392 PolarHBondContact O-N 3Å; V390-L392 VanDerWaalsContact O-N 3.09Å; V390-F393 HydrophobicContact CB-CB 4.43Å; V390-F393 HydrophobicContact CB-CD2 3.77Å; V390-F393 HydrophobicContact CG1-CD2 3.73Å; V390-F393 HydrophobicContact CG1-CE2 4.39Å; V390-F393 HydrophobicContact CG2-CD2 4.4Å; V390-F393 PolarHBondContact O-N 3.35Å; V390-C394 PolarHBondContact O-N 3.49Å; V390-F516 HydrophobicContact CG1-CZ 4.41Å; V390-F516 HydrophobicContact CG2-CE1 4.07Å; V390-F516 HydrophobicContact CG2-CZ 3.55Å
391	P	88.4	Confident	80.7	Confident	15 Å²	15	22.9 Å²	22.9	10%	0.097	13%	0.132	C	C	.	.	H	α-helix	trans	-49.1	-39.4	-175.8	-33.3	35.5	0	0	0	115.5	T162 V206 F352 C394 W395	T162-P391 HydrophobicContact CG2-CG 3.81Å; V206-P391 WeakPolarHBondContact O-CG 3.36Å; F352-P391 HydrophobicContact CD1-CG 3.83Å; F352-P391 HydrophobicContact CD2-CB 4.49Å; F352-P391 HydrophobicContact CD2-CG 4.2Å; F352-P391 HydrophobicContact CE1-CB 4.16Å; F352-P391 HydrophobicContact CE1-CG 3.64Å; F352-P391 HydrophobicContact CE2-CB 3.94Å; F352-P391 HydrophobicContact CE2-CG 4.04Å; F352-P391 HydrophobicContact CG-CG 4.11Å; F352-P391 HydrophobicContact CZ-CB 3.75Å; F352-P391 HydrophobicContact CZ-CG 3.74Å; P391-C394 WeakPolarHBondContact O-CB 3.4Å; P391-C394 PolarHBondContact O-N 2.91Å; P391-W395 WeakPolarHBondContact O-CB 3.07Å; P391-W395 PolarHBondContact O-N 3.36Å
392	L	82	Confident	80.5	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59	-52.1	174	175.2	64.6	0	0	0	112.8	Y147 G205 V390 C394 W395 I396 V431 H432	Y147-L392 HydrophobicContact CD1-CD1 3.56Å; Y147-L392 HydrophobicContact CD2-CD1 3.67Å; Y147-L392 HydrophobicContact CE1-CD1 3.59Å; Y147-L392 HydrophobicContact CE2-CD1 3.7Å; Y147-L392 HydrophobicContact CG-CD1 3.59Å; G205-L392 WeakPolarHBondContact O-CB 3.4Å; G205-L392 PolarHBondContact O-N 3.44Å; G205-L392 VanDerWaalsContact O-N 3.08Å; V390-L392 VanDerWaalsContact C-N 3.26Å; V390-L392 HydrophobicContact CG1-CB 4.37Å; V390-L392 PolarHBondContact O-N 3Å; V390-L392 VanDerWaalsContact O-N 3.09Å; L392-C394 VanDerWaalsContact C-N 3.3Å; L392-C394 PolarHBondContact O-N 3.37Å; L392-W395 PolarHBondContact O-N 3.17Å; L392-I396 HydrophobicContact CD1-CD1 4.01Å; L392-I396 HydrophobicContact CD1-CG1 4.37Å; L392-I396 HydrophobicContact CG-CD1 3.87Å; L392-I396 VanDerWaalsContact O-CG1 3.24Å; L392-I396 WeakPolarHBondContact O-CG1 3.13Å; L392-I396 PolarHBondContact O-N 3.36Å; L392-V431 HydrophobicContact CD1-CG1 3.93Å; L392-H432 VanDerWaalsContact CD2-NE2 3.35Å; L392-H432 WeakPolarHBondContact CD2-NE2 3.47Å
393	F	80.7	Confident	80.1	Confident	4 Å²	4	26.2 Å²	26.2	2%	0.018	14%	0.14	C	C	.	.	H	α-helix	trans	-65.2	-38.5	179.4	-76.9	-81.1	0	0	0	111.1	L387 V390 W395 I396 I397 V428 F516	L387-F393 HydrophobicContact CB-CB 4.12Å; L387-F393 HydrophobicContact CB-CD1 4.46Å; L387-F393 HydrophobicContact CB-CG 4.38Å; L387-F393 HydrophobicContact CD2-CD1 4.48Å; L387-F393 WeakPolarHBondContact O-CB 3.28Å; V390-F393 HydrophobicContact CB-CB 4.43Å; V390-F393 HydrophobicContact CB-CD2 3.77Å; V390-F393 HydrophobicContact CG1-CD2 3.73Å; V390-F393 HydrophobicContact CG1-CE2 4.39Å; V390-F393 HydrophobicContact CG2-CD2 4.4Å; V390-F393 PolarHBondContact O-N 3.35Å; F393-W395 VanDerWaalsContact C-N 3.35Å; F393-W395 PolarHBondContact O-N 2.85Å; F393-I396 PolarHBondContact O-N 3.17Å; F393-I397 WeakPolarHBondContact O-CB 3.25Å; F393-I397 VanDerWaalsContact O-CG1 3.27Å; F393-I397 WeakPolarHBondContact O-CG1 3.38Å; F393-I397 PolarHBondContact O-N 2.93Å; F393-V428 HydrophobicContact CD1-CG2 3.79Å; F393-V428 HydrophobicContact CE1-CB 4.33Å; F393-V428 HydrophobicContact CE1-CG1 3.66Å; F393-V428 HydrophobicContact CE1-CG2 3.6Å; F393-V428 HydrophobicContact CZ-CG1 4.13Å; F393-F516 AromaticContact CD2-CE1 3.97Å; F393-F516 HydrophobicContact CD2-CE1 3.97Å; F393-F516 AromaticContact CE2-CD1 3.54Å; F393-F516 HydrophobicContact CE2-CD1 3.54Å; F393-F516 AromaticContact CE2-CE1 3.24Å; F393-F516 HydrophobicContact CE2-CE1 3.24Å; F393-F516 HydrophobicContact CE2-CZ 4.22Å; F393-F516 AromaticContact CZ-CD1 3.84Å; F393-F516 HydrophobicContact CZ-CD1 3.84Å; F393-F516 AromaticContact CZ-CE1 3.97Å; F393-F516 HydrophobicContact CZ-CE1 3.97Å
394	C	86.8	Confident	79.5	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-56.9	-48.8	172.7	-168.4	0	0	0	0	111.4	F352 L357 Y360 C388 V390 P391 L392 I396 I397 F398	F352-C394 HydrophobicContact CD2-CB 4.11Å; F352-C394 HydrophobicContact CE2-CB 4.07Å; L357-C394 WeakPolarHBondContact CD1-SG 3.2Å; Y360-C394 VanDerWaalsContact CD1-SG 3.52Å; C388-C394 HydrophobicContact CB-CB 4.26Å; V390-C394 PolarHBondContact O-N 3.49Å; P391-C394 WeakPolarHBondContact O-CB 3.4Å; P391-C394 PolarHBondContact O-N 2.91Å; L392-C394 VanDerWaalsContact C-N 3.3Å; L392-C394 PolarHBondContact O-N 3.37Å; C394-I396 PolarHBondContact O-N 3.44Å; C394-I397 PolarHBondContact O-N 2.8Å; C394-F398 WeakPolarHBondContact O-CB 3.31Å; C394-F398 WeakPolarHBondContact O-CD1 3.2Å; C394-F398 VanDerWaalsContact O-CG 3.28Å; C394-F398 WeakPolarHBondContact O-CG 3.19Å; C394-F398 PolarHBondContact O-N 3.32Å; C394-F398 VanDerWaalsContact SG-CE1 3.6Å
395	W	83.5	Confident	78.8	Confident	9 Å²	9	28.4 Å²	28.4	3%	0.034	14%	0.144	C	C	.	.	H	α-helix	trans	-60.4	-44.7	175.8	177.2	87.2	0	0	0	112.1	C146 Y147 A148 Y360 P391 L392 F393 F398 R399 V431	C146-W395 HydrophobicContact CB-CZ2 4.46Å; C146-W395 WeakPolarHBondContact SG-CH2 3.48Å; C146-W395 WeakPolarHBondContact SG-CZ2 3.46Å; Y147-W395 AromaticContact CD2-CD2 3.63Å; Y147-W395 HydrophobicContact CD2-CD2 3.63Å; Y147-W395 AromaticContact CD2-CE3 3.54Å; Y147-W395 HydrophobicContact CD2-CE3 3.54Å; Y147-W395 HydrophobicContact CD2-CG 4.06Å; Y147-W395 HydrophobicContact CD2-CZ3 4.11Å; Y147-W395 HydrophobicContact CE2-CD2 4.37Å; Y147-W395 HydrophobicContact CE2-CE3 4.49Å; Y147-W395 HydrophobicContact CE2-CG 4.34Å; Y147-W395 HydrophobicContact CG-CE3 4.15Å; Y147-W395 HydrophobicContact CG-CZ3 4.32Å; A148-W395 HydrophobicContact CB-CH2 4.19Å; Y360-W395 VanDerWaalsContact OH-CD1 3.26Å; P391-W395 WeakPolarHBondContact O-CB 3.07Å; P391-W395 PolarHBondContact O-N 3.36Å; L392-W395 PolarHBondContact O-N 3.17Å; F393-W395 VanDerWaalsContact C-N 3.35Å; F393-W395 PolarHBondContact O-N 2.85Å; W395-F398 PolarHBondContact O-N 2.87Å; W395-R399 HydrophobicContact CH2-CB 4.28Å; W395-R399 HydrophobicContact CH2-CG 4.12Å; W395-R399 HydrophobicContact CZ2-CB 4.19Å; W395-R399 HydrophobicContact CZ2-CG 4.06Å; W395-R399 WeakPolarHBondContact O-CB 3.26Å; W395-R399 PolarHBondContact O-N 2.85Å; W395-V431 HydrophobicContact CZ3-CG2 4.07Å
396	I	78.5	Confident	77.8	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.5	-50.3	178.5	-69.8	166.9	0	0	0	110.8	L392 F393 C394 F398 R399 C400 L427 V428 V431	L392-I396 HydrophobicContact CD1-CD1 4.01Å; L392-I396 HydrophobicContact CD1-CG1 4.37Å; L392-I396 HydrophobicContact CG-CD1 3.87Å; L392-I396 VanDerWaalsContact O-CG1 3.24Å; L392-I396 WeakPolarHBondContact O-CG1 3.13Å; L392-I396 PolarHBondContact O-N 3.36Å; F393-I396 PolarHBondContact O-N 3.17Å; C394-I396 PolarHBondContact O-N 3.44Å; I396-F398 VanDerWaalsContact C-N 3.3Å; I396-F398 PolarHBondContact O-N 3.15Å; I396-R399 PolarHBondContact O-N 3.3Å; I396-C400 PolarHBondContact O-N 3.45Å; I396-L427 HydrophobicContact CG2-CB 4.14Å; I396-L427 HydrophobicContact CG2-CD2 3.81Å; I396-L427 HydrophobicContact CG2-CG 3.9Å; I396-V428 HydrophobicContact CD1-CB 4.32Å; I396-V428 HydrophobicContact CD1-CG2 3.86Å; I396-V428 HydrophobicContact CG2-CG2 3.95Å; I396-V431 HydrophobicContact CD1-CB 4.27Å; I396-V431 HydrophobicContact CD1-CG1 4.15Å; I396-V431 HydrophobicContact CD1-CG2 4.4Å; I396-V431 HydrophobicContact CG1-CG2 4.26Å
397	I	80.4	Confident	76.6	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-62.2	-41.6	-178.9	-68.6	164.2	0	0	0	110.3	L378 L384 L387 C388 F393 C394 R399 C400 F401 V424	L378-I397 HydrophobicContact CD2-CG2 3.88Å; L384-I397 HydrophobicContact CD2-CD1 4.5Å; L387-I397 HydrophobicContact CB-CD1 4.08Å; C388-I397 VanDerWaalsContact SG-CD1 3.59Å; F393-I397 WeakPolarHBondContact O-CB 3.25Å; F393-I397 VanDerWaalsContact O-CG1 3.27Å; F393-I397 WeakPolarHBondContact O-CG1 3.38Å; F393-I397 PolarHBondContact O-N 2.93Å; C394-I397 PolarHBondContact O-N 2.8Å; I397-R399 VanDerWaalsContact C-N 3.33Å; I397-R399 PolarHBondContact O-N 3.22Å; I397-C400 WeakPolarHBondContact O-CB 3.14Å; I397-C400 PolarHBondContact O-N 2.98Å; I397-F401 PolarHBondContact O-N 3.15Å; I397-V424 HydrophobicContact CG1-CG1 3.99Å
398	F	84.3	Confident	75.1	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67.8	-36	178.3	-75.1	24.7	0	0	0	111.4	L357 Y360 A361 M364 F365 L374 L378 C394 W395 I396 F401 Q402	L357-F398 HydrophobicContact CD1-CE1 4.02Å; L357-F398 HydrophobicContact CD1-CZ 3.67Å; Y360-F398 AromaticContact CD1-CD2 3.71Å; Y360-F398 HydrophobicContact CD1-CD2 3.71Å; Y360-F398 AromaticContact CD1-CE2 3.4Å; Y360-F398 HydrophobicContact CD1-CE2 3.4Å; Y360-F398 VanDerWaalsContact CD1-CE2 3.4Å; Y360-F398 HydrophobicContact CD1-CZ 4.15Å; Y360-F398 AromaticContact CE1-CD2 3.77Å; Y360-F398 HydrophobicContact CE1-CD2 3.77Å; Y360-F398 AromaticContact CE1-CE2 3.98Å; Y360-F398 HydrophobicContact CE1-CE2 3.98Å; Y360-F398 HydrophobicContact CE1-CG 4.5Å; Y360-F398 HydrophobicContact CG-CE2 4.32Å; A361-F398 HydrophobicContact CB-CE2 3.95Å; A361-F398 HydrophobicContact CB-CZ 4.02Å; M364-F398 HydrophobicContact CB-CD2 3.98Å; M364-F398 HydrophobicContact CG-CD2 4Å; F365-F398 HydrophobicContact CD2-CD2 4.32Å; F365-F398 HydrophobicContact CE2-CB 3.97Å; F365-F398 AromaticContact CE2-CD2 3.6Å; F365-F398 HydrophobicContact CE2-CD2 3.6Å; F365-F398 HydrophobicContact CE2-CE2 4.24Å; F365-F398 AromaticContact CE2-CG 3.86Å; F365-F398 HydrophobicContact CE2-CG 3.86Å; F365-F398 HydrophobicContact CZ-CB 4.18Å; L374-F398 HydrophobicContact CD1-CD1 4.27Å; L374-F398 HydrophobicContact CD1-CE1 4.36Å; L374-F398 HydrophobicContact CD2-CD1 3.82Å; L374-F398 HydrophobicContact CD2-CD2 4.1Å; L374-F398 HydrophobicContact CD2-CE1 3.69Å; L374-F398 HydrophobicContact CD2-CE2 3.95Å; L374-F398 HydrophobicContact CD2-CG 4.03Å; L374-F398 HydrophobicContact CD2-CZ 3.72Å; L374-F398 HydrophobicContact CG-CD1 4.49Å; L374-F398 HydrophobicContact CG-CE1 4.24Å; L378-F398 HydrophobicContact CD1-CE1 3.79Å; C394-F398 WeakPolarHBondContact O-CB 3.31Å; C394-F398 WeakPolarHBondContact O-CD1 3.2Å; C394-F398 VanDerWaalsContact O-CG 3.28Å; C394-F398 WeakPolarHBondContact O-CG 3.19Å; C394-F398 PolarHBondContact O-N 3.32Å; C394-F398 VanDerWaalsContact SG-CE1 3.6Å; W395-F398 PolarHBondContact O-N 2.87Å; I396-F398 VanDerWaalsContact C-N 3.3Å; I396-F398 PolarHBondContact O-N 3.15Å; F398-F401 WeakPolarHBondContact O-CB 3.35Å; F398-F401 PolarHBondContact O-N 3.23Å; F398-Q402 WeakPolarHBondContact O-CG 3.26Å; F398-Q402 PolarHBondContact O-N 3.05Å
399	R	76	Confident	73.3	Confident	68 Å²	68	38.7 Å²	38.7	26%	0.257	20%	0.204	S	C	.	.	H	α-helix	trans	-71.9	-37.9	176	-167.8	60	171	-173.9	-4.4	112.3	E151 W395 I396 I397 F401 Q402 H403	E151-R399 IonicContact OE1-NH2 3.4Å; E151-R399 PolarHBondContact OE1-NH2 2.96Å; E151-R399 IonicContact OE2-CZ 2.86Å; E151-R399 IonicContact OE2-NH1 3.21Å; E151-R399 IonicContact OE2-NH2 2.76Å; E151-R399 PolarHBondContact OE2-NH2 3.08Å; W395-R399 HydrophobicContact CH2-CB 4.28Å; W395-R399 HydrophobicContact CH2-CG 4.12Å; W395-R399 HydrophobicContact CZ2-CB 4.19Å; W395-R399 HydrophobicContact CZ2-CG 4.06Å; W395-R399 WeakPolarHBondContact O-CB 3.26Å; W395-R399 PolarHBondContact O-N 2.85Å; I396-R399 PolarHBondContact O-N 3.3Å; I397-R399 VanDerWaalsContact C-N 3.33Å; I397-R399 PolarHBondContact O-N 3.22Å; R399-F401 VanDerWaalsContact C-N 3.28Å; R399-F401 PolarHBondContact O-N 3.2Å; R399-Q402 PolarHBondContact O-N 2.8Å; R399-H403 WeakPolarHBondContact O-CB 3.45Å; R399-H403 PolarHBondContact O-N 3.39Å
400	C	73.4	Confident	71.4	Confident	5 Å²	5	39.9 Å²	39.9	3%	0.034	23%	0.225	C	C	.	.	H	α-helix	trans	-53	-52.2	167.3	-76	0	0	0	0	109.2	I396 I397 Q402 H403 F404 M419 L427	I396-C400 PolarHBondContact O-N 3.45Å; I397-C400 WeakPolarHBondContact O-CB 3.14Å; I397-C400 PolarHBondContact O-N 2.98Å; C400-Q402 PolarHBondContact O-N 3.12Å; C400-H403 PolarHBondContact O-N 3.33Å; C400-F404 HydrophobicContact CB-CD2 4.31Å; C400-F404 HydrophobicContact CB-CE2 4.3Å; C400-F404 WeakPolarHBondContact O-CD2 3.4Å; C400-F404 PolarHBondContact O-N 3.49Å; C400-M419 HydrophobicContact CB-CE 3.5Å; C400-M419 HydrophobicContact CB-SD 3.64Å; C400-L427 WeakPolarHBondContact SG-CD2 3.43Å
401	F	74.3	Confident	69.2	Low	24 Å²	24	41.2 Å²	41.2	11%	0.105	24%	0.235	C	C	.	.	H	α-helix	trans	-57.3	-44.8	-179.9	-170.1	-96.3	0	0	0	112.6	F365 L370 L374 I397 F398 R399 R405 M419	F365-F401 AromaticContact CE1-CD1 3.68Å; F365-F401 HydrophobicContact CE1-CD1 3.68Å; F365-F401 HydrophobicContact CE1-CE1 4.16Å; F365-F401 AromaticContact CZ-CD1 3.76Å; F365-F401 HydrophobicContact CZ-CD1 3.76Å; L370-F401 HydrophobicContact CD2-CE1 4.21Å; L374-F401 HydrophobicContact CB-CE1 4.29Å; L374-F401 HydrophobicContact CB-CZ 4.35Å; L374-F401 HydrophobicContact CD1-CB 4.21Å; L374-F401 HydrophobicContact CD1-CD1 4.23Å; L374-F401 HydrophobicContact CD1-CD2 4.02Å; L374-F401 HydrophobicContact CD1-CE2 4.47Å; L374-F401 HydrophobicContact CD1-CG 3.89Å; I397-F401 PolarHBondContact O-N 3.15Å; F398-F401 WeakPolarHBondContact O-CB 3.35Å; F398-F401 PolarHBondContact O-N 3.23Å; R399-F401 VanDerWaalsContact C-N 3.28Å; R399-F401 PolarHBondContact O-N 3.2Å; F401-R405 WeakPolarHBondContact O-CB 3.41Å; F401-R405 PolarHBondContact O-N 3.49Å; F401-M419 HydrophobicContact CB-SD 4.47Å
402	Q	73.5	Confident	67	Low	44 Å²	44	46.4 Å²	46.4	21%	0.206	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-47.5	173.7	-74	-178.9	-12.8	0	0	113.3	M364 F365 F398 R399 C400 F404 R405 A406	M364-Q402 PolarHBondContact O-NE2 3.03Å; F365-Q402 HydrophobicContact CE1-CG 3.54Å; F365-Q402 HydrophobicContact CZ-CG 3.78Å; F398-Q402 WeakPolarHBondContact O-CG 3.26Å; F398-Q402 PolarHBondContact O-N 3.05Å; R399-Q402 PolarHBondContact O-N 2.8Å; C400-Q402 PolarHBondContact O-N 3.12Å; Q402-F404 VanDerWaalsContact C-N 3.35Å; Q402-F404 PolarHBondContact O-N 3.49Å; Q402-R405 WeakPolarHBondContact O-CB 3.29Å; Q402-R405 PolarHBondContact O-N 3.21Å; Q402-A406 PolarHBondContact O-N 3.47Å
403	H	65.9	Low	64.9	Low	121 Å²	121	53.4 Å²	53.4	56%	0.56	30%	0.301	S	S	*	.	H	α-helix	trans	-60.8	-46.1	-178.7	170.3	-91.7	0	0	0	111.1	R399 C400 A406 A407	R399-H403 WeakPolarHBondContact O-CB 3.45Å; R399-H403 PolarHBondContact O-N 3.39Å; C400-H403 PolarHBondContact O-N 3.33Å; H403-A406 PolarHBondContact O-N 2.83Å; H403-A407 PolarHBondContact O-N 3.4Å; H403-A407 VanDerWaalsContact O-N 3.16Å
404	F	61.1	Low	62.9	Low	40 Å²	40	57.3 Å²	57.3	18%	0.175	32%	0.322	C	S	.	.	H	α-helix	trans	-65.8	-40	177	-75.3	-67.6	0	0	0	111.3	C400 Q402 A406 A407 F408 C417 M419 D423	C400-F404 HydrophobicContact CB-CD2 4.31Å; C400-F404 HydrophobicContact CB-CE2 4.3Å; C400-F404 WeakPolarHBondContact O-CD2 3.4Å; C400-F404 PolarHBondContact O-N 3.49Å; Q402-F404 VanDerWaalsContact C-N 3.35Å; Q402-F404 PolarHBondContact O-N 3.49Å; F404-A406 PolarHBondContact O-N 2.93Å; F404-A407 WeakPolarHBondContact O-CB 3.42Å; F404-A407 PolarHBondContact O-N 3.31Å; F404-A407 VanDerWaalsContact O-N 3.11Å; F404-F408 HydrophobicContact CB-CE2 4.21Å; F404-F408 HydrophobicContact CD1-CE2 4.37Å; F404-F408 WeakPolarHBondContact O-CD2 3.46Å; F404-F408 WeakPolarHBondContact O-CE2 3.42Å; F404-F408 PolarHBondContact O-N 3.34Å; F404-C417 HydrophobicContact CB-CB 4.21Å; F404-C417 WeakPolarHBondContact CB-SG 3.38Å; F404-C417 VanDerWaalsContact CD1-SG 3.55Å; F404-C417 WeakPolarHBondContact CG-SG 3.36Å; F404-M419 HydrophobicContact CD2-CG 3.24Å; F404-M419 HydrophobicContact CD2-SD 3.68Å; F404-M419 HydrophobicContact CE2-CG 3.4Å; F404-M419 HydrophobicContact CE2-SD 4.12Å; F404-M419 HydrophobicContact CG-CG 4.07Å; F404-M419 HydrophobicContact CZ-CG 4.27Å; F404-D423 HydrophobicContact CE2-CB 4.45Å; F404-D423 HydrophobicContact CZ-CB 4.2Å
405	R	65	Low	60.6	Low	88 Å²	88	61 Å²	61	33%	0.332	35%	0.346	S	S	.	.	H	α-helix	trans	-53.9	-50.8	172.4	-166.5	-167.9	88.9	169	8.4	112.4	E367 F401 Q402 A407 F408 E409	E367-R405 IonicContact OE1-NH1 2.72Å; F401-R405 WeakPolarHBondContact O-CB 3.41Å; F401-R405 PolarHBondContact O-N 3.49Å; Q402-R405 WeakPolarHBondContact O-CB 3.29Å; Q402-R405 PolarHBondContact O-N 3.21Å; R405-A407 PolarHBondContact O-N 3.09Å; R405-F408 PolarHBondContact O-N 3.16Å; R405-E409 IonicContact CZ-OE1 4Å; R405-E409 IonicContact NE-OE1 3.78Å; R405-E409 PolarHBondContact NE-OE1 3.18Å; R405-E409 VanDerWaalsContact NE-OE1 3.15Å; R405-E409 IonicContact NH2-OE1 2.81Å; R405-E409 PolarHBondContact NH2-OE1 2.89Å; R405-E409 PolarHBondContact O-N 2.68Å
406	A	61	Low	58.9	Low	68 Å²	68	63.8 Å²	63.8	56%	0.562	36%	0.361	S	S	*	.	H	α-helix	trans	-59.6	-31.8	179.7	0	0	0	0	0	112.4	Q402 H403 F404 F408	Q402-A406 PolarHBondContact O-N 3.47Å; H403-A406 PolarHBondContact O-N 2.83Å; F404-A406 PolarHBondContact O-N 2.93Å; A406-F408 VanDerWaalsContact C-N 3.26Å; A406-F408 PolarHBondContact O-N 2.87Å
407	A	53.4	Low	57.4	Low	69 Å²	69	65.4 Å²	65.4	57%	0.57	37%	0.372	S	S	*	.	H	α-helix	trans	-70	-18.6	173.8	0	0	0	0	0	113.8	H403 F404 R405	H403-A407 PolarHBondContact O-N 3.4Å; H403-A407 VanDerWaalsContact O-N 3.16Å; F404-A407 WeakPolarHBondContact O-CB 3.42Å; F404-A407 PolarHBondContact O-N 3.31Å; F404-A407 VanDerWaalsContact O-N 3.11Å; R405-A407 PolarHBondContact O-N 3.09Å
408	F	49.4	Very low	56.4	Low	51 Å²	51	67.9 Å²	67.9	22%	0.224	39%	0.387	C	S	.	.	H	α-helix	trans	-112.1	-3.3	-174.7	-65.2	-65.9	0	0	0	115.4	F404 R405 A406 G410 S411 L414 P415 C417	F404-F408 HydrophobicContact CB-CE2 4.21Å; F404-F408 HydrophobicContact CD1-CE2 4.37Å; F404-F408 WeakPolarHBondContact O-CD2 3.46Å; F404-F408 WeakPolarHBondContact O-CE2 3.42Å; F404-F408 PolarHBondContact O-N 3.34Å; R405-F408 PolarHBondContact O-N 3.16Å; A406-F408 VanDerWaalsContact C-N 3.26Å; A406-F408 PolarHBondContact O-N 2.87Å; F408-G410 PolarHBondContact O-N 3.24Å; F408-S411 PolarHBondContact O-N 3.44Å; F408-S411 VanDerWaalsContact O-N 3.08Å; F408-S411 PolarHBondContact O-OG 2.91Å; F408-L414 HydrophobicContact CB-CD2 3.53Å; F408-L414 HydrophobicContact CB-CG 4.24Å; F408-L414 HydrophobicContact CG-CD2 4.33Å; F408-P415 HydrophobicContact CE1-CG 4.4Å; F408-C417 HydrophobicContact CD2-CB 4.02Å; F408-C417 HydrophobicContact CE2-CB 3.58Å; F408-C417 HydrophobicContact CZ-CB 4.42Å
409	E	49.1	Very low	55.8	Low	135 Å²	135	69.7 Å²	69.7	63%	0.631	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-7	176.5	-82.7	176.8	-169.3	0	0	113.8	R405	R405-E409 IonicContact CZ-OE1 4Å; R405-E409 IonicContact NE-OE1 3.78Å; R405-E409 PolarHBondContact NE-OE1 3.18Å; R405-E409 VanDerWaalsContact NE-OE1 3.15Å; R405-E409 IonicContact NH2-OE1 2.81Å; R405-E409 PolarHBondContact NH2-OE1 2.89Å; R405-E409 PolarHBondContact O-N 2.68Å
410	G	46.7	Very low	56.2	Low	79 Å²	79	66.7 Å²	66.7	81%	0.814	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-1.6	174.5	0	0	0	0	0	117.2	F408	F408-G410 PolarHBondContact O-N 3.24Å
411	S	40.5	Very low	56.8	Low	41 Å²	41	67.5 Å²	67.5	29%	0.287	39%	0.39	S	S	.	.			trans	-109.8	120.1	-179.3	55.3	0	0	0	0	112.1	F408 Q413 L414	F408-S411 PolarHBondContact O-N 3.44Å; F408-S411 VanDerWaalsContact O-N 3.08Å; F408-S411 PolarHBondContact O-OG 2.91Å; S411-Q413 WeakPolarHBondContact CB-O 3.5Å; S411-Q413 CarbonylContact O-C 3.58Å; S411-Q413 PolarHBondContact O-N 3.38Å; S411-Q413 PolarHBondContact OG-O 3.48Å; S411-L414 PolarHBondContact O-N 2.88Å
412	P	41.9	Very low	57.6	Low	124 Å²	124	66.4 Å²	66.4	81%	0.805	39%	0.385	S	S	*	.	S	Bend	trans	-66.3	-18	-178.8	24.8	-32.4	0	0	0	113.5
413	Q	38.1	Very low	58.1	Low	148 Å²	148	65.3 Å²	65.3	69%	0.692	38%	0.38	S	S	*	.	S	Bend	trans	-109	102.9	158.3	-48.7	87.6	14.8	0	0	105.7	S411 P415	S411-Q413 WeakPolarHBondContact CB-O 3.5Å; S411-Q413 CarbonylContact O-C 3.58Å; S411-Q413 PolarHBondContact O-N 3.38Å; S411-Q413 PolarHBondContact OG-O 3.48Å; Q413-P415 WeakPolarHBondContact O-CD 3.49Å
414	L	37.2	Very low	58.9	Low	85 Å²	85	59.5 Å²	59.5	45%	0.445	35%	0.354	S	S	.	.			trans	-56.9	111	160.7	-86	126	0	0	0	105.3	F408 S411 D416	F408-L414 HydrophobicContact CB-CD2 3.53Å; F408-L414 HydrophobicContact CB-CG 4.24Å; F408-L414 HydrophobicContact CG-CD2 4.33Å; S411-L414 PolarHBondContact O-N 2.88Å; L414-D416 PolarHBondContact O-N 3.34Å
415	P	40.5	Very low	60.2	Low	78 Å²	78	57.7 Å²	57.7	51%	0.506	35%	0.345	S	S	.	.			trans	-60	125.9	158.1	-4.3	22.6	0	0	0	103.7	F408 Q413 C417	F408-P415 HydrophobicContact CE1-CG 4.4Å; Q413-P415 WeakPolarHBondContact O-CD 3.49Å; P415-C417 PolarHBondContact O-N 3.1Å
416	D	47.6	Very low	61.3	Low	68 Å²	68	54.2 Å²	54.2	36%	0.364	33%	0.333	S	S	.	.			trans	-42	112.5	170.2	-73	-57	0	0	0	107.4	R373 L414 T418	R373-D416 IonicContact CZ-OD1 2.65Å; R373-D416 IonicContact NH2-OD1 3.59Å; R373-D416 PolarHBondContact NH2-OD1 3.47Å; L414-D416 PolarHBondContact O-N 3.34Å; D416-T418 PolarHBondContact O-N 3.01Å
417	C	45.5	Very low	62.2	Low	33 Å²	33	52.5 Å²	52.5	22%	0.223	32%	0.315	C	S	.	.			trans	-56.6	114.4	-171.8	168.5	0	0	0	0	107.7	F404 F408 P415 M419	F404-C417 HydrophobicContact CB-CB 4.21Å; F404-C417 WeakPolarHBondContact CB-SG 3.38Å; F404-C417 VanDerWaalsContact CD1-SG 3.55Å; F404-C417 WeakPolarHBondContact CG-SG 3.36Å; F408-C417 HydrophobicContact CD2-CB 4.02Å; F408-C417 HydrophobicContact CE2-CB 3.58Å; F408-C417 HydrophobicContact CZ-CB 4.42Å; P415-C417 PolarHBondContact O-N 3.1Å; C417-M419 PolarHBondContact O-N 3.24Å
418	T	59.6	Low	63.5	Low	56 Å²	56	49.2 Å²	49.2	34%	0.344	29%	0.287	S	S	.	.			trans	-79.4	66.7	178.1	52.2	0	0	0	0	108.9	D416 T420 Y660 Q663	D416-T418 PolarHBondContact O-N 3.01Å; T418-T420 WeakPolarHBondContact O-CG2 3.39Å; T418-T420 PolarHBondContact O-N 2.94Å; T418-Y660 WeakPolarHBondContact CA-OH 2.94Å; T418-Y660 WeakPolarHBondContact CB-OH 3.38Å; T418-Y660 HydrophobicContact CG2-CE2 4Å; T418-Y660 WeakPolarHBondContact CG2-OH 3.33Å; T418-Q663 PolarHBondContact OG1-OE1 3.16Å
419	M	72	Confident	65.3	Low	38 Å²	38	46.8 Å²	46.8	19%	0.187	28%	0.277	C	S	.	.			trans	-56.5	114.4	167.8	-96.1	-176.7	51	0	0	108.2	C400 F401 F404 C417 V424	C400-M419 HydrophobicContact CB-CE 3.5Å; C400-M419 HydrophobicContact CB-SD 3.64Å; F401-M419 HydrophobicContact CB-SD 4.47Å; F404-M419 HydrophobicContact CD2-CG 3.24Å; F404-M419 HydrophobicContact CD2-SD 3.68Å; F404-M419 HydrophobicContact CE2-CG 3.4Å; F404-M419 HydrophobicContact CE2-SD 4.12Å; F404-M419 HydrophobicContact CG-CG 4.07Å; F404-M419 HydrophobicContact CZ-CG 4.27Å; C417-M419 PolarHBondContact O-N 3.24Å; M419-V424 HydrophobicContact CE-CG2 3.64Å
420	T	85	Confident	66.9	Low	6 Å²	6	41.1 Å²	41.1	4%	0.037	25%	0.25	C	S	.	.			trans	-89.3	157.2	176.6	82.8	0	0	0	0	110.9	T418 T422 D423 V424 E661 Q663	T418-T420 WeakPolarHBondContact O-CG2 3.39Å; T418-T420 PolarHBondContact O-N 2.94Å; T420-T422 PolarHBondContact O-N 3.43Å; T420-D423 WeakPolarHBondContact O-CB 3.48Å; T420-D423 PolarHBondContact O-N 3.08Å; T420-D423 VanDerWaalsContact O-N 3.1Å; T420-D423 PolarHBondContact OG1-N 3.07Å; T420-V424 PolarHBondContact O-N 2.97Å; T420-E661 WeakPolarHBondContact CB-OE1 3.29Å; T420-E661 WeakPolarHBondContact CB-OE2 3.06Å; T420-E661 WeakPolarHBondContact CG2-OE2 3.38Å; T420-E661 PolarHBondContact OG1-OE1 2.83Å; T420-E661 PolarHBondContact OG1-OE2 3.48Å; T420-Q663 HydrophobicContact CG2-CG 3.61Å
421	L	85.6	Confident	68.3	Low	22 Å²	22	37.3 Å²	37.3	12%	0.115	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-33.4	-179.9	-166.7	62.1	0	0	0	110.8	L384 D423 V424 F425 T519 F587 L590 F591 E661	L384-L421 HydrophobicContact CD2-CD1 3.51Å; L384-L421 HydrophobicContact CG-CD1 4.22Å; L421-D423 VanDerWaalsContact C-N 3.29Å; L421-D423 PolarHBondContact O-N 2.87Å; L421-V424 PolarHBondContact O-N 2.8Å; L421-F425 HydrophobicContact CD1-CD2 4.14Å; L421-F425 HydrophobicContact CD1-CE2 3.81Å; L421-F425 HydrophobicContact CG-CD2 4.06Å; L421-F425 HydrophobicContact CG-CE2 4Å; L421-F425 VanDerWaalsContact O-CD2 3.32Å; L421-F425 WeakPolarHBondContact O-CD2 3.5Å; L421-F425 PolarHBondContact O-N 2.82Å; L421-F425 VanDerWaalsContact O-N 3.1Å; L421-T519 HydrophobicContact CD2-CG2 4.29Å; L421-F587 HydrophobicContact CD2-CD1 3.74Å; L421-F587 HydrophobicContact CD2-CE1 3.64Å; L421-L590 HydrophobicContact CB-CD2 3.93Å; L421-L590 HydrophobicContact CD2-CD2 4.15Å; L421-F591 HydrophobicContact CB-CE1 4.08Å; L421-F591 HydrophobicContact CD2-CE1 3.97Å; L421-F591 HydrophobicContact CD2-CZ 3.67Å; L421-F591 HydrophobicContact CG-CE1 3.68Å; L421-F591 HydrophobicContact CG-CZ 3.77Å; L421-E661 PolarHBondContact N-OE1 3.16Å
422	T	91.1	Very high	70.1	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.9	-36.7	174.8	-55	0	0	0	0	111.6	T420 V424 F425 L426 F523 L595 E661	T420-T422 PolarHBondContact O-N 3.43Å; T422-V424 VanDerWaalsContact C-N 3.35Å; T422-F425 PolarHBondContact O-N 2.68Å; T422-L426 HydrophobicContact CG2-CD1 3.96Å; T422-L426 HydrophobicContact CG2-CG 4.23Å; T422-L426 WeakPolarHBondContact O-CB 3.22Å; T422-L426 VanDerWaalsContact O-CG 3.27Å; T422-L426 WeakPolarHBondContact O-CG 3.48Å; T422-L426 PolarHBondContact O-N 3.18Å; T422-F523 HydrophobicContact CG2-CE2 4.48Å; T422-L595 HydrophobicContact CG2-CD2 3.87Å; T422-L595 HydrophobicContact CG2-CG 3.92Å; T422-E661 WeakPolarHBondContact CA-OE1 3.42Å; T422-E661 WeakPolarHBondContact CB-OE1 3.45Å; T422-E661 PolarHBondContact N-OE1 2.99Å; T422-E661 PolarHBondContact OG1-OE1 3.21Å
423	D	84.1	Confident	72	Confident	21 Å²	21	30.2 Å²	30.2	11%	0.112	16%	0.163	C	C	.	.	H	α-helix	trans	-62.3	-44.1	176.3	-69.9	-23	0	0	0	111.8	F404 T420 L421 L426 L427 K600	F404-D423 HydrophobicContact CE2-CB 4.45Å; F404-D423 HydrophobicContact CZ-CB 4.2Å; T420-D423 WeakPolarHBondContact O-CB 3.48Å; T420-D423 PolarHBondContact O-N 3.08Å; T420-D423 VanDerWaalsContact O-N 3.1Å; T420-D423 PolarHBondContact OG1-N 3.07Å; L421-D423 VanDerWaalsContact C-N 3.29Å; L421-D423 PolarHBondContact O-N 2.87Å; D423-L426 PolarHBondContact O-N 3.24Å; D423-L427 PolarHBondContact O-N 3.33Å; D423-L427 VanDerWaalsContact O-N 3.12Å; D423-K600 WeakPolarHBondContact OD1-CE 3.37Å; D423-K600 IonicContact OD1-NZ 3.6Å; D423-K600 PolarHBondContact OD1-NZ 3.48Å
424	V	82.3	Confident	73.7	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.3	-49.7	177	177.9	0	0	0	0	110.1	L384 I397 M419 T420 L421 T422 L426 L427 V428	L384-V424 HydrophobicContact CD2-CG1 4.33Å; L384-V424 HydrophobicContact CD2-CG2 4.16Å; I397-V424 HydrophobicContact CG1-CG1 3.99Å; M419-V424 HydrophobicContact CE-CG2 3.64Å; T420-V424 PolarHBondContact O-N 2.97Å; L421-V424 PolarHBondContact O-N 2.8Å; T422-V424 VanDerWaalsContact C-N 3.35Å; V424-L426 PolarHBondContact O-N 3.47Å; V424-L427 PolarHBondContact O-N 2.81Å; V424-V428 WeakPolarHBondContact O-CG2 3.26Å; V424-V428 PolarHBondContact O-N 3.08Å
425	F	87.9	Confident	75.2	Confident	1 Å²	1	23.8 Å²	23.8	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-72.3	-28.8	-176.4	-82.7	-102.1	0	0	0	113.7	L387 L421 T422 V428 T429 T519 L520 F523 F591	L387-F425 HydrophobicContact CD1-CE2 4.08Å; L387-F425 HydrophobicContact CD1-CZ 4.11Å; L421-F425 HydrophobicContact CD1-CD2 4.14Å; L421-F425 HydrophobicContact CD1-CE2 3.81Å; L421-F425 HydrophobicContact CG-CD2 4.06Å; L421-F425 HydrophobicContact CG-CE2 4Å; L421-F425 VanDerWaalsContact O-CD2 3.32Å; L421-F425 WeakPolarHBondContact O-CD2 3.5Å; L421-F425 PolarHBondContact O-N 2.82Å; L421-F425 VanDerWaalsContact O-N 3.1Å; T422-F425 PolarHBondContact O-N 2.68Å; F425-V428 PolarHBondContact O-N 3.23Å; F425-T429 WeakPolarHBondContact O-CB 3.39Å; F425-T429 PolarHBondContact O-N 2.97Å; F425-T429 PolarHBondContact O-OG1 3.24Å; F425-T519 HydrophobicContact CE1-CG2 4.18Å; F425-T519 HydrophobicContact CE2-CG2 3.96Å; F425-T519 HydrophobicContact CZ-CG2 3.52Å; F425-L520 HydrophobicContact CD1-CD1 3.8Å; F425-L520 HydrophobicContact CE1-CB 4.05Å; F425-L520 HydrophobicContact CE1-CD1 3.9Å; F425-F523 HydrophobicContact CB-CB 4.43Å; F425-F523 HydrophobicContact CB-CD1 4.22Å; F425-F523 HydrophobicContact CB-CD2 3.5Å; F425-F523 VanDerWaalsContact CB-CD2 3.5Å; F425-F523 HydrophobicContact CB-CE1 4.39Å; F425-F523 HydrophobicContact CB-CE2 3.68Å; F425-F523 HydrophobicContact CB-CG 3.78Å; F425-F523 HydrophobicContact CB-CZ 4.13Å; F425-F523 HydrophobicContact CD1-CB 3.81Å; F425-F523 HydrophobicContact CD1-CD1 4.35Å; F425-F523 HydrophobicContact CD1-CD2 4.46Å; F425-F523 AromaticContact CD1-CG 3.96Å; F425-F523 HydrophobicContact CD1-CG 3.96Å; F425-F523 HydrophobicContact CE1-CB 4.48Å; F425-F523 HydrophobicContact CG-CB 4.31Å; F425-F523 HydrophobicContact CG-CD2 4.23Å; F425-F523 HydrophobicContact CG-CG 4.18Å; F425-F591 HydrophobicContact CB-CE1 4.12Å; F425-F591 HydrophobicContact CD1-CZ 4.29Å; F425-F591 AromaticContact CD2-CE1 3.75Å; F425-F591 HydrophobicContact CD2-CE1 3.75Å; F425-F591 AromaticContact CD2-CZ 3.69Å; F425-F591 HydrophobicContact CD2-CZ 3.69Å; F425-F591 HydrophobicContact CE1-CZ 4.46Å; F425-F591 HydrophobicContact CE2-CE1 4.36Å; F425-F591 AromaticContact CE2-CZ 3.87Å; F425-F591 HydrophobicContact CE2-CZ 3.87Å; F425-F591 AromaticContact CG-CE1 3.92Å; F425-F591 HydrophobicContact CG-CE1 3.92Å; F425-F591 AromaticContact CG-CZ 3.91Å; F425-F591 HydrophobicContact CG-CZ 3.91Å; F425-F591 HydrophobicContact CZ-CZ 4.27Å
426	L	88.6	Confident	76.2	Confident	15 Å²	15	23.4 Å²	23.4	8%	0.079	12%	0.12	C	C	.	.	H	α-helix	trans	-63.7	-42.3	168.9	-77.2	170.5	0	0	0	111.2	T422 D423 V424 T429 E430 L453 F523 F527 L595 K600 L603	T422-L426 HydrophobicContact CG2-CD1 3.96Å; T422-L426 HydrophobicContact CG2-CG 4.23Å; T422-L426 WeakPolarHBondContact O-CB 3.22Å; T422-L426 VanDerWaalsContact O-CG 3.27Å; T422-L426 WeakPolarHBondContact O-CG 3.48Å; T422-L426 PolarHBondContact O-N 3.18Å; D423-L426 PolarHBondContact O-N 3.24Å; V424-L426 PolarHBondContact O-N 3.47Å; L426-T429 PolarHBondContact O-N 3.19Å; L426-E430 PolarHBondContact O-N 3.05Å; L426-L453 HydrophobicContact CD2-CD1 4.45Å; L426-F523 HydrophobicContact CD2-CZ 4.08Å; L426-F523 HydrophobicContact CG-CE2 4.44Å; L426-F523 HydrophobicContact CG-CZ 4.35Å; L426-F527 HydrophobicContact CD2-CE2 4.07Å; L426-L595 HydrophobicContact CD1-CD2 4.45Å; L426-L595 HydrophobicContact CD2-CD2 3.99Å; L426-L595 HydrophobicContact CG-CD2 4.4Å; L426-K600 HydrophobicContact CD1-CD 3.89Å; L426-K600 HydrophobicContact CD1-CG 4.26Å; L426-L603 HydrophobicContact CD1-CD2 3.97Å; L426-L603 HydrophobicContact CD2-CD2 4.07Å
427	L	81.3	Confident	76.6	Confident	32 Å²	32	24.1 Å²	24.1	17%	0.168	12%	0.122	C	C	.	.	H	α-helix	trans	-68.1	-39.9	176.4	-173.9	61.3	0	0	0	111.9	I396 C400 D423 V424 T429 E430 V431	I396-L427 HydrophobicContact CG2-CB 4.14Å; I396-L427 HydrophobicContact CG2-CD2 3.81Å; I396-L427 HydrophobicContact CG2-CG 3.9Å; C400-L427 WeakPolarHBondContact SG-CD2 3.43Å; D423-L427 PolarHBondContact O-N 3.33Å; D423-L427 VanDerWaalsContact O-N 3.12Å; V424-L427 PolarHBondContact O-N 2.81Å; L427-T429 VanDerWaalsContact C-N 3.29Å; L427-T429 PolarHBondContact O-N 2.72Å; L427-E430 PolarHBondContact O-N 2.75Å; L427-V431 HydrophobicContact CD1-CG2 4.41Å; L427-V431 HydrophobicContact CG-CG2 4.46Å; L427-V431 WeakPolarHBondContact O-CB 3.42Å; L427-V431 VanDerWaalsContact O-CG2 3.31Å; L427-V431 WeakPolarHBondContact O-CG2 3.35Å; L427-V431 PolarHBondContact O-N 3.4Å
428	V	80.7	Confident	76.7	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-54.2	-49.6	170.7	173.4	0	0	0	0	110.1	F393 I396 V424 F425 E430 V431 H432	F393-V428 HydrophobicContact CD1-CG2 3.79Å; F393-V428 HydrophobicContact CE1-CB 4.33Å; F393-V428 HydrophobicContact CE1-CG1 3.66Å; F393-V428 HydrophobicContact CE1-CG2 3.6Å; F393-V428 HydrophobicContact CZ-CG1 4.13Å; I396-V428 HydrophobicContact CD1-CB 4.32Å; I396-V428 HydrophobicContact CD1-CG2 3.86Å; I396-V428 HydrophobicContact CG2-CG2 3.95Å; V424-V428 WeakPolarHBondContact O-CG2 3.26Å; V424-V428 PolarHBondContact O-N 3.08Å; F425-V428 PolarHBondContact O-N 3.23Å; V428-E430 PolarHBondContact O-N 3.15Å; V428-V431 PolarHBondContact O-N 3.34Å; V428-H432 PolarHBondContact O-CD2 2.72Å; V428-H432 PolarHBondContact O-N 3.49Å
429	T	86.9	Confident	76.2	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-46.3	-179.1	-56.8	0	0	0	0	111.8	F425 L426 L427 V431 H432 L433 L453 L460 F497 F523 F524	F425-T429 WeakPolarHBondContact O-CB 3.39Å; F425-T429 PolarHBondContact O-N 2.97Å; F425-T429 PolarHBondContact O-OG1 3.24Å; L426-T429 PolarHBondContact O-N 3.19Å; L427-T429 VanDerWaalsContact C-N 3.29Å; L427-T429 PolarHBondContact O-N 2.72Å; T429-V431 PolarHBondContact O-N 2.86Å; T429-H432 PolarHBondContact O-N 3.4Å; T429-L433 HydrophobicContact CG2-CD1 3.93Å; T429-L433 HydrophobicContact CG2-CG 4.44Å; T429-L433 WeakPolarHBondContact O-CB 3.49Å; T429-L433 VanDerWaalsContact O-CG 3.28Å; T429-L433 WeakPolarHBondContact O-CG 3.34Å; T429-L433 PolarHBondContact O-N 2.73Å; T429-L453 HydrophobicContact CG2-CD2 3.89Å; T429-L460 HydrophobicContact CG2-CD1 4.43Å; T429-L460 HydrophobicContact CG2-CD2 3.45Å; T429-L460 VanDerWaalsContact CG2-CD2 3.45Å; T429-F497 HydrophobicContact CG2-CZ 4.4Å; T429-F523 WeakPolarHBondContact OG1-CE1 3.17Å; T429-F524 HydrophobicContact CG2-CE1 4.34Å
430	E	81.7	Confident	74.8	Confident	16 Å²	16	29.7 Å²	29.7	8%	0.075	16%	0.164	C	C	.	.	H	α-helix	trans	-56.8	-48.3	175.8	-178.3	-176.7	161.5	0	0	111.7	K150 L426 L427 V428 H432 L433 N434 P449 T452	K150-E430 IonicContact NZ-OE1 3.09Å; L426-E430 PolarHBondContact O-N 3.05Å; L427-E430 PolarHBondContact O-N 2.75Å; V428-E430 PolarHBondContact O-N 3.15Å; E430-H432 PolarHBondContact O-N 2.72Å; E430-L433 PolarHBondContact O-N 2.81Å; E430-N434 PolarHBondContact O-N 2.93Å; E430-N434 VanDerWaalsContact O-N 3.14Å; E430-N434 PolarHBondContact O-ND2 3.06Å; E430-P449 WeakPolarHBondContact OE2-CB 3.39Å; E430-T452 HydrophobicContact CG-CG2 4.04Å
431	V	76	Confident	72.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61	-43.9	-178.6	162.4	0	0	0	0	112.1	Y147 L392 W395 I396 L427 V428 T429	Y147-V431 HydrophobicContact CG-CG1 4.34Å; L392-V431 HydrophobicContact CD1-CG1 3.93Å; W395-V431 HydrophobicContact CZ3-CG2 4.07Å; I396-V431 HydrophobicContact CD1-CB 4.27Å; I396-V431 HydrophobicContact CD1-CG1 4.15Å; I396-V431 HydrophobicContact CD1-CG2 4.4Å; I396-V431 HydrophobicContact CG1-CG2 4.26Å; L427-V431 HydrophobicContact CD1-CG2 4.41Å; L427-V431 HydrophobicContact CG-CG2 4.46Å; L427-V431 WeakPolarHBondContact O-CB 3.42Å; L427-V431 VanDerWaalsContact O-CG2 3.31Å; L427-V431 WeakPolarHBondContact O-CG2 3.35Å; L427-V431 PolarHBondContact O-N 3.4Å; V428-V431 PolarHBondContact O-N 3.34Å; T429-V431 PolarHBondContact O-N 2.86Å
432	H	78.1	Confident	70.9	Confident	3 Å²	3	41.9 Å²	41.9	1%	0.014	23%	0.233	C	C	.	.	H	α-helix	trans	-70.6	-40.2	-179.8	-82.8	-97.1	0	0	0	112.1	L392 V428 T429 E430 N434 R435 L495 F497	L392-H432 VanDerWaalsContact CD2-NE2 3.35Å; L392-H432 WeakPolarHBondContact CD2-NE2 3.47Å; V428-H432 PolarHBondContact O-CD2 2.72Å; V428-H432 PolarHBondContact O-N 3.49Å; T429-H432 PolarHBondContact O-N 3.4Å; E430-H432 PolarHBondContact O-N 2.72Å; H432-N434 VanDerWaalsContact C-N 3.3Å; H432-N434 PolarHBondContact O-N 3.11Å; H432-R435 WeakPolarHBondContact O-CB 3.45Å; H432-R435 PolarHBondContact O-N 3.31Å; H432-R435 VanDerWaalsContact O-N 3.14Å; H432-L495 PolarHBondContact ND1-O 3.47Å; H432-L495 WeakPolarHBondContact O-CD2 3.44Å; H432-F497 HydrophobicContact CB-CD1 4.35Å; H432-F497 HydrophobicContact CB-CE1 3.47Å; H432-F497 VanDerWaalsContact CB-CE1 3.47Å; H432-F497 HydrophobicContact CB-CE2 3.87Å; H432-F497 HydrophobicContact CB-CZ 3.21Å; H432-F497 AromaticContact CD2-CE1 3.94Å; H432-F497 AromaticContact CG-CE1 3.62Å; H432-F497 AromaticContact CG-CZ 3.91Å
433	L	81.5	Confident	68.6	Low	13 Å²	13	49.5 Å²	49.5	7%	0.068	27%	0.268	C	S	.	.	H	α-helix	trans	-64.4	-33.1	178	-71.3	173	0	0	0	113.3	T429 E430 R435 M436 T452 L453 L460 L495	T429-L433 HydrophobicContact CG2-CD1 3.93Å; T429-L433 HydrophobicContact CG2-CG 4.44Å; T429-L433 WeakPolarHBondContact O-CB 3.49Å; T429-L433 VanDerWaalsContact O-CG 3.28Å; T429-L433 WeakPolarHBondContact O-CG 3.34Å; T429-L433 PolarHBondContact O-N 2.73Å; E430-L433 PolarHBondContact O-N 2.81Å; L433-R435 PolarHBondContact O-N 3.09Å; L433-M436 PolarHBondContact O-N 3.42Å; L433-T452 HydrophobicContact CB-CG2 3.7Å; L433-T452 HydrophobicContact CD1-CG2 4.23Å; L433-L453 HydrophobicContact CD1-CD2 4.05Å; L433-L460 HydrophobicContact CD1-CD1 3.89Å; L433-L460 HydrophobicContact CD1-CD2 4.18Å; L433-L460 HydrophobicContact CD1-CG 4.18Å; L433-L495 HydrophobicContact CD2-CD1 4.28Å; L433-L495 HydrophobicContact CD2-CD2 4.34Å
434	N	73.9	Confident	66.8	Low	16 Å²	16	52 Å²	52	9%	0.086	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-11.6	176.7	-73.1	-25.9	0	0	0	113.4	Q149 E430 H432 T452	Q149-N434 PolarHBondContact NE2-O 2.91Å; E430-N434 PolarHBondContact O-N 2.93Å; E430-N434 VanDerWaalsContact O-N 3.14Å; E430-N434 PolarHBondContact O-ND2 3.06Å; H432-N434 VanDerWaalsContact C-N 3.3Å; H432-N434 PolarHBondContact O-N 3.11Å; N434-T452 WeakPolarHBondContact OD1-CG2 3.37Å; N434-T452 PolarHBondContact OD1-OG1 3.41Å
435	R	69.1	Low	64.9	Low	81 Å²	81	57.3 Å²	57.3	31%	0.306	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-28	179.7	-64.6	-178.8	174.5	178.2	-3.1	114.2	H432 L433	H432-R435 WeakPolarHBondContact O-CB 3.45Å; H432-R435 PolarHBondContact O-N 3.31Å; H432-R435 VanDerWaalsContact O-N 3.14Å; L433-R435 PolarHBondContact O-N 3.09Å
436	M	61.2	Low	63.1	Low	71 Å²	71	63 Å²	63	35%	0.35	34%	0.339	S	S	.	.	S	Bend	trans	-82.6	-16	-172.3	-76.9	-63.3	-67.3	0	0	115.1	L433 R491 Q494 L495	L433-M436 PolarHBondContact O-N 3.42Å; M436-R491 HydrophobicContact CE-CB 3.58Å; M436-R491 HydrophobicContact CE-CG 4.01Å; M436-R491 WeakPolarHBondContact CE-O 3.41Å; M436-R491 VanDerWaalsContact SD-O 3.4Å; M436-Q494 HydrophobicContact SD-CB 4.49Å; M436-L495 HydrophobicContact CB-CD2 4.3Å; M436-L495 HydrophobicContact CG-CD2 3.28Å; M436-L495 HydrophobicContact CG-CG 3.79Å; M436-L495 HydrophobicContact SD-CD2 4.49Å
437	Q	57.5	Low	61.8	Low	83 Å²	83	67 Å²	67	39%	0.388	35%	0.353	S	S	.	.	S	Bend	trans	-85.3	126	-170.1	-62.4	-130.3	-13.4	0	0	112.1	S439 R447	Q437-S439 PolarHBondContact O-N 3.35Å; Q437-R447 VanDerWaalsContact NE2-NH1 3.13Å
438	P	45.9	Very low	61.4	Low	125 Å²	125	67.5 Å²	67.5	81%	0.812	36%	0.359	S	S	*	.			trans	-65.1	108.7	176.6	23.4	-29.5	0	0	0	109.6
439	S	49.5	Very low	61.2	Low	43 Å²	43	69.9 Å²	69.9	30%	0.301	38%	0.375	S	S	.	.			trans	-95	109	179.7	46.5	0	0	0	0	111.2	Q437 R444	Q437-S439 PolarHBondContact O-N 3.35Å; S439-R444 PolarHBondContact OG-NE 3.23Å; S439-R444 VanDerWaalsContact OG-NE 3.08Å; S439-R444 PolarHBondContact OG-NH2 2.93Å
440	S	43.6	Very low	61	Low	75 Å²	75	71.4 Å²	71.4	52%	0.524	38%	0.384	S	S	.	.			trans	-64.9	147.2	148	66.8	0	0	0	0	108.4	V442 Q443	S440-V442 PolarHBondContact O-N 2.75Å; S440-Q443 PolarHBondContact O-N 3.39Å
441	L	43.7	Very low	61	Low	149 Å²	149	75.4 Å²	75.4	78%	0.78	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-20	-173.1	-80.5	151.7	0	0	0	114.8
442	V	43.7	Very low	61.4	Low	135 Å²	135	75.6 Å²	75.6	82%	0.818	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-22.7	-170	-172.8	0	0	0	0	113.8	S440	S440-V442 PolarHBondContact O-N 2.75Å
443	Q	44	Very low	61.8	Low	160 Å²	160	75.6 Å²	75.6	75%	0.748	40%	0.404	S	S	*	.	S	Bend	trans	-104.8	10.7	-177.1	-77.9	-173	-1.9	0	0	114.8	S440 N445	S440-Q443 PolarHBondContact O-N 3.39Å; Q443-N445 VanDerWaalsContact C-N 3.31Å; Q443-N445 PolarHBondContact O-N 3.48Å
444	R	45.3	Very low	62	Low	75 Å²	75	80.3 Å²	80.3	28%	0.283	43%	0.426	S	S	.	.			trans	-67.6	-22.2	-174.8	-83.6	-171.2	175.8	165.2	3.1	115.5	S439	S439-R444 PolarHBondContact OG-NE 3.23Å; S439-R444 VanDerWaalsContact OG-NE 3.08Å; S439-R444 PolarHBondContact OG-NH2 2.93Å
445	N	43.4	Very low	62.6	Low	110 Å²	110	82.1 Å²	82.1	59%	0.588	44%	0.443	S	S	*	.	S	Bend	trans	-101.5	129.9	-173.3	-66.5	-17.9	0	0	0	110.4	Q443	Q443-N445 VanDerWaalsContact C-N 3.31Å; Q443-N445 PolarHBondContact O-N 3.48Å
446	T	50.4	Low	63.5	Low	120 Å²	120	78.6 Å²	78.6	74%	0.736	43%	0.432	S	S	*	.			trans	101.2	16.3	156.1	75.4	0	0	0	0	122.2	S448	T446-S448 PolarHBondContact O-N 3.23Å
447	R	59.8	Low	64.8	Low	100 Å²	100	79.8 Å²	79.8	38%	0.377	43%	0.432	S	S	.	.			trans	-63.7	133.4	169.1	-79.6	-163.9	-173.5	165.6	11.9	112.2	Q437 E451	Q437-R447 VanDerWaalsContact NE2-NH1 3.13Å; R447-E451 VanDerWaalsContact CA-OE2 3.31Å; R447-E451 WeakPolarHBondContact CA-OE2 3.41Å; R447-E451 HydrophobicContact CB-CB 4.44Å; R447-E451 HydrophobicContact CG-CB 4.38Å
448	S	72.7	Confident	66.3	Low	42 Å²	42	81.3 Å²	81.3	29%	0.294	44%	0.443	S	S	.	.			trans	-75.7	154.9	172.1	70.2	0	0	0	0	110.7	T446 V450 E451 T452	T446-S448 PolarHBondContact O-N 3.23Å; S448-V450 PolarHBondContact O-N 3.5Å; S448-E451 PolarHBondContact N-OE2 2.97Å; S448-E451 PolarHBondContact O-N 2.94Å; S448-E451 WeakPolarHBondContact OG-CG 3.28Å; S448-E451 PolarHBondContact OG-N 3.43Å; S448-E451 PolarHBondContact OG-OE2 2.9Å; S448-T452 PolarHBondContact O-N 3.22Å
449	P	76.6	Confident	68.4	Low	51 Å²	51	76.2 Å²	76.2	33%	0.331	41%	0.41	S	S	.	.	H	α-helix	trans	-54	-28.9	175.4	-27.3	34.7	0	0	0	113.2	E430 L453 L603	E430-P449 WeakPolarHBondContact OE2-CB 3.39Å; P449-L453 WeakPolarHBondContact O-CG 3.35Å; P449-L453 PolarHBondContact O-N 3.43Å; P449-L603 HydrophobicContact CB-CD1 4.14Å
450	V	82.6	Confident	70.4	Confident	32 Å²	32	74.2 Å²	74.2	19%	0.194	40%	0.396	C	S	.	.	H	α-helix	trans	-66.3	-46.8	176.8	179.5	0	0	0	0	111.3	S448 H454 L603 H606	S448-V450 PolarHBondContact O-N 3.5Å; V450-H454 VanDerWaalsContact O-CB 3.27Å; V450-H454 WeakPolarHBondContact O-CB 3.45Å; V450-H454 PolarHBondContact O-N 3.08Å; V450-L603 HydrophobicContact CB-CD1 4.48Å; V450-L603 HydrophobicContact CG2-CD1 3.82Å; V450-H606 HydrophobicContact CG1-CB 3.76Å; V450-H606 WeakPolarHBondContact CG1-CD2 3.27Å; V450-H606 VanDerWaalsContact CG1-CG 3.48Å
451	E	82.7	Confident	72.7	Confident	99 Å²	99	71.6 Å²	71.6	46%	0.463	38%	0.378	S	S	.	.	H	α-helix	trans	-68.3	-40.4	-178.3	-70.4	164.1	162.6	0	0	111.7	R447 S448 H454 A455	R447-E451 VanDerWaalsContact CA-OE2 3.31Å; R447-E451 WeakPolarHBondContact CA-OE2 3.41Å; R447-E451 HydrophobicContact CB-CB 4.44Å; R447-E451 HydrophobicContact CG-CB 4.38Å; S448-E451 PolarHBondContact N-OE2 2.97Å; S448-E451 PolarHBondContact O-N 2.94Å; S448-E451 WeakPolarHBondContact OG-CG 3.28Å; S448-E451 PolarHBondContact OG-N 3.43Å; S448-E451 PolarHBondContact OG-OE2 2.9Å; E451-H454 PolarHBondContact O-N 3.03Å; E451-A455 WeakPolarHBondContact O-CB 3.27Å; E451-A455 PolarHBondContact O-N 3.43Å
452	T	83.6	Confident	75	Confident	4 Å²	4	65.4 Å²	65.4	3%	0.025	35%	0.347	C	S	.	.	H	α-helix	trans	-61.6	-48.2	176.9	-64.1	0	0	0	0	111.3	E430 L433 N434 S448 H454 A455 G456	E430-T452 HydrophobicContact CG-CG2 4.04Å; L433-T452 HydrophobicContact CB-CG2 3.7Å; L433-T452 HydrophobicContact CD1-CG2 4.23Å; N434-T452 WeakPolarHBondContact OD1-CG2 3.37Å; N434-T452 PolarHBondContact OD1-OG1 3.41Å; S448-T452 PolarHBondContact O-N 3.22Å; T452-H454 VanDerWaalsContact C-N 3.32Å; T452-H454 PolarHBondContact O-N 2.92Å; T452-A455 PolarHBondContact O-N 2.77Å; T452-G456 PolarHBondContact O-N 3.02Å
453	L	87.1	Confident	77.4	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-66.6	-34.9	177.2	-68.1	176.8	0	0	0	112.4	L426 T429 L433 P449 G456 R457 L460 F527 L603 L607	L426-L453 HydrophobicContact CD2-CD1 4.45Å; T429-L453 HydrophobicContact CG2-CD2 3.89Å; L433-L453 HydrophobicContact CD1-CD2 4.05Å; P449-L453 WeakPolarHBondContact O-CG 3.35Å; P449-L453 PolarHBondContact O-N 3.43Å; L453-G456 PolarHBondContact O-N 3.34Å; L453-R457 PolarHBondContact O-N 3.01Å; L453-R457 VanDerWaalsContact O-N 3.1Å; L453-L460 HydrophobicContact CD2-CD1 3.83Å; L453-F527 HydrophobicContact CD2-CZ 4.4Å; L453-L603 HydrophobicContact CD1-CD1 3.72Å; L453-L603 HydrophobicContact CD1-CD2 3.8Å; L453-L603 HydrophobicContact CD1-CG 3.77Å; L453-L607 HydrophobicContact CB-CD1 3.97Å; L453-L607 HydrophobicContact CB-CD2 4.39Å; L453-L607 HydrophobicContact CD1-CD1 4.41Å
454	H	86.7	Confident	79.8	Confident	111 Å²	111	51.5 Å²	51.5	51%	0.514	27%	0.273	S	S	.	.	H	α-helix	trans	-66.3	-43.6	176.4	-172.8	-78.5	0	0	0	111.5	V450 E451 T452 G456 R457 H606 L607	V450-H454 VanDerWaalsContact O-CB 3.27Å; V450-H454 WeakPolarHBondContact O-CB 3.45Å; V450-H454 PolarHBondContact O-N 3.08Å; E451-H454 PolarHBondContact O-N 3.03Å; T452-H454 VanDerWaalsContact C-N 3.32Å; T452-H454 PolarHBondContact O-N 2.92Å; H454-G456 VanDerWaalsContact C-N 3.32Å; H454-G456 PolarHBondContact O-N 3.22Å; H454-R457 VanDerWaalsContact O-CB 3.32Å; H454-R457 WeakPolarHBondContact O-CB 3.41Å; H454-R457 PolarHBondContact O-N 2.74Å; H454-H606 PolarHBondContact CD2-O 2.9Å; H454-L607 HydrophobicContact CB-CD2 4.08Å
455	A	85.4	Confident	82.1	Confident	55 Å²	55	51.3 Å²	51.3	46%	0.455	28%	0.275	S	S	.	.	H	α-helix	trans	-66.4	-33.8	176.7	0	0	0	0	0	112.7	E451 T452	E451-A455 WeakPolarHBondContact O-CB 3.27Å; E451-A455 PolarHBondContact O-N 3.43Å; T452-A455 PolarHBondContact O-N 2.77Å
456	G	88	Confident	84.4	Confident	7 Å²	7	46.1 Å²	46.1	7%	0.072	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	5.9	177.1	0	0	0	0	0	115.1	T452 L453 H454 D458 T459 L460	T452-G456 PolarHBondContact O-N 3.02Å; L453-G456 PolarHBondContact O-N 3.34Å; H454-G456 VanDerWaalsContact C-N 3.32Å; H454-G456 PolarHBondContact O-N 3.22Å; G456-D458 VanDerWaalsContact C-N 3.35Å; G456-D458 PolarHBondContact O-N 3.11Å; G456-T459 PolarHBondContact O-N 2.9Å; G456-L460 VanDerWaalsContact O-CG 3.24Å; G456-L460 WeakPolarHBondContact O-CG 3.49Å; G456-L460 PolarHBondContact O-N 3.09Å
457	R	89.5	Confident	86.5	Confident	95 Å²	95	40.4 Å²	40.4	36%	0.358	21%	0.213	S	C	.	.	H	α-helix	trans	-54.6	-45.9	-168.9	-179.9	178.1	176.3	-87.3	0.2	113.3	L453 H454 L460 C461 L607	L453-R457 PolarHBondContact O-N 3.01Å; L453-R457 VanDerWaalsContact O-N 3.1Å; H454-R457 VanDerWaalsContact O-CB 3.32Å; H454-R457 WeakPolarHBondContact O-CB 3.41Å; H454-R457 PolarHBondContact O-N 2.74Å; R457-L460 PolarHBondContact O-N 2.93Å; R457-C461 PolarHBondContact O-N 3.38Å; R457-C461 PolarHBondContact O-SG 2.96Å; R457-L607 HydrophobicContact CB-CD2 4.49Å; R457-L607 PolarHBondContact NE-O 3.29Å
458	D	89	Confident	88.1	Confident	115 Å²	115	36.3 Å²	36.3	62%	0.615	20%	0.198	S	C	*	.	H	α-helix	trans	-69	-44.8	-175.7	-62.8	-25.2	0	0	0	111.5	G456 L460 C461 S462	G456-D458 VanDerWaalsContact C-N 3.35Å; G456-D458 PolarHBondContact O-N 3.11Å; D458-L460 VanDerWaalsContact C-N 3.32Å; D458-L460 PolarHBondContact O-N 3.19Å; D458-C461 WeakPolarHBondContact O-CB 3.37Å; D458-C461 PolarHBondContact O-N 3.38Å; D458-S462 PolarHBondContact O-N 3.33Å; D458-S462 PolarHBondContact O-OG 3.28Å
459	T	89.7	Confident	89	Confident	19 Å²	19	38.6 Å²	38.6	12%	0.117	20%	0.2	C	C	.	.	H	α-helix	trans	-56	-45.7	171.3	-57.1	0	0	0	0	111.4	G456 C461 S462 L463 D492 L495	G456-T459 PolarHBondContact O-N 2.9Å; T459-C461 VanDerWaalsContact C-N 3.34Å; T459-C461 PolarHBondContact O-N 3.08Å; T459-S462 PolarHBondContact O-N 3.05Å; T459-L463 HydrophobicContact CG2-CD1 3.91Å; T459-L463 HydrophobicContact CG2-CG 4.39Å; T459-L463 WeakPolarHBondContact O-CB 3.34Å; T459-L463 WeakPolarHBondContact O-CG 3.21Å; T459-L463 PolarHBondContact O-N 3.38Å; T459-D492 HydrophobicContact CG2-CB 3.92Å; T459-D492 WeakPolarHBondContact CG2-OD1 3.46Å; T459-D492 PolarHBondContact OG1-OD1 3.4Å; T459-L495 HydrophobicContact CG2-CD1 3.2Å
460	L	91.6	Very high	89.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.2	-37.9	178.7	-67.6	170.2	0	0	0	112.4	T429 L433 L453 G456 R457 D458 G464 F524 F527 L531	T429-L460 HydrophobicContact CG2-CD1 4.43Å; T429-L460 HydrophobicContact CG2-CD2 3.45Å; T429-L460 VanDerWaalsContact CG2-CD2 3.45Å; L433-L460 HydrophobicContact CD1-CD1 3.89Å; L433-L460 HydrophobicContact CD1-CD2 4.18Å; L433-L460 HydrophobicContact CD1-CG 4.18Å; L453-L460 HydrophobicContact CD2-CD1 3.83Å; G456-L460 VanDerWaalsContact O-CG 3.24Å; G456-L460 WeakPolarHBondContact O-CG 3.49Å; G456-L460 PolarHBondContact O-N 3.09Å; R457-L460 PolarHBondContact O-N 2.93Å; D458-L460 VanDerWaalsContact C-N 3.32Å; D458-L460 PolarHBondContact O-N 3.19Å; L460-G464 PolarHBondContact O-N 2.9Å; L460-F524 HydrophobicContact CD2-CD1 4.47Å; L460-F524 HydrophobicContact CD2-CE1 3.68Å; L460-F527 HydrophobicContact CB-CD1 4.28Å; L460-F527 HydrophobicContact CB-CE1 3.94Å; L460-F527 HydrophobicContact CD1-CE1 3.66Å; L460-F527 HydrophobicContact CD1-CZ 4.1Å; L460-F527 HydrophobicContact CD2-CE1 4.45Å; L460-F527 HydrophobicContact CG-CE1 4.24Å; L460-L531 HydrophobicContact CB-CD1 4.34Å
461	C	91.4	Very high	89.6	Confident	21 Å²	21	34.6 Å²	34.6	14%	0.142	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-48.6	173.8	-74.6	0	0	0	0	111	R457 D458 T459 G464 Q465	R457-C461 PolarHBondContact O-N 3.38Å; R457-C461 PolarHBondContact O-SG 2.96Å; D458-C461 WeakPolarHBondContact O-CB 3.37Å; D458-C461 PolarHBondContact O-N 3.38Å; T459-C461 VanDerWaalsContact C-N 3.34Å; T459-C461 PolarHBondContact O-N 3.08Å; C461-G464 PolarHBondContact O-N 3.19Å; C461-Q465 WeakPolarHBondContact O-CG 3.26Å; C461-Q465 PolarHBondContact O-N 3Å
462	S	92.6	Very high	89.7	Confident	19 Å²	19	33.5 Å²	33.5	13%	0.133	17%	0.169	C	C	.	.	H	α-helix	trans	-66.2	-42.1	-179.6	-68.4	0	0	0	0	112.7	D458 T459 G464 Q465 V466 S486 L488	D458-S462 PolarHBondContact O-N 3.33Å; D458-S462 PolarHBondContact O-OG 3.28Å; T459-S462 PolarHBondContact O-N 3.05Å; S462-G464 VanDerWaalsContact C-N 3.31Å; S462-G464 PolarHBondContact O-N 2.92Å; S462-Q465 PolarHBondContact O-N 3.27Å; S462-V466 PolarHBondContact O-N 3.34Å; S462-S486 VanDerWaalsContact CB-O 3.22Å; S462-S486 WeakPolarHBondContact CB-O 2.99Å; S462-S486 PolarHBondContact OG-O 3.09Å; S462-L488 VanDerWaalsContact CB-CD2 3.48Å
463	L	93.3	Very high	89.6	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-60.4	-44.2	172.1	-76	169.4	0	0	0	111.1	T459 Q465 V466 A467 L488 F497 L498 F524	T459-L463 HydrophobicContact CG2-CD1 3.91Å; T459-L463 HydrophobicContact CG2-CG 4.39Å; T459-L463 WeakPolarHBondContact O-CB 3.34Å; T459-L463 WeakPolarHBondContact O-CG 3.21Å; T459-L463 PolarHBondContact O-N 3.38Å; L463-Q465 VanDerWaalsContact C-N 3.32Å; L463-Q465 PolarHBondContact O-N 2.97Å; L463-V466 PolarHBondContact O-N 3.46Å; L463-A467 WeakPolarHBondContact O-CB 3.25Å; L463-A467 PolarHBondContact O-N 3.42Å; L463-L488 HydrophobicContact CD2-CD1 3.96Å; L463-L488 HydrophobicContact CD2-CD2 3.96Å; L463-L488 HydrophobicContact CG-CD2 3.82Å; L463-F497 HydrophobicContact CD1-CB 4.48Å; L463-F497 HydrophobicContact CD1-CD2 3.42Å; L463-F497 VanDerWaalsContact CD1-CD2 3.42Å; L463-F497 HydrophobicContact CD1-CE2 3.86Å; L463-F497 HydrophobicContact CD1-CG 4.22Å; L463-F497 HydrophobicContact CD2-CB 4.44Å; L463-L498 HydrophobicContact CD2-CD1 4.21Å; L463-L498 HydrophobicContact CD2-CG 4.27Å; L463-F524 HydrophobicContact CD1-CZ 4.33Å
464	G	94.2	Very high	89.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-36.1	177.5	0	0	0	0	0	113.7	L460 C461 S462 H468 F524	L460-G464 PolarHBondContact O-N 2.9Å; C461-G464 PolarHBondContact O-N 3.19Å; S462-G464 VanDerWaalsContact C-N 3.31Å; S462-G464 PolarHBondContact O-N 2.92Å; G464-H468 VanDerWaalsContact O-CB 3.23Å; G464-H468 WeakPolarHBondContact O-CB 3.42Å; G464-H468 PolarHBondContact O-N 2.94Å; G464-F524 WeakPolarHBondContact CA-O 3.43Å
465	Q	93.5	Very high	88.9	Confident	71 Å²	71	39.2 Å²	39.2	33%	0.332	20%	0.201	S	C	.	.	H	α-helix	trans	-66.7	-45.5	174.9	-76.8	176.8	0.1	0	0	112.2	C461 S462 L463 A467 H468 R469 S486 F528	C461-Q465 WeakPolarHBondContact O-CG 3.26Å; C461-Q465 PolarHBondContact O-N 3Å; S462-Q465 PolarHBondContact O-N 3.27Å; L463-Q465 VanDerWaalsContact C-N 3.32Å; L463-Q465 PolarHBondContact O-N 2.97Å; Q465-A467 VanDerWaalsContact C-N 3.35Å; Q465-H468 PolarHBondContact O-N 3.12Å; Q465-R469 WeakPolarHBondContact O-CB 3.42Å; Q465-R469 PolarHBondContact O-N 2.85Å; Q465-S486 PolarHBondContact OE1-O 3.43Å; Q465-F528 HydrophobicContact CB-CE2 4.46Å; Q465-F528 HydrophobicContact CG-CD2 3.77Å; Q465-F528 HydrophobicContact CG-CE2 3.27Å; Q465-F528 HydrophobicContact CG-CZ 3.78Å
466	V	93	Very high	88.7	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.012	20%	0.195	C	C	.	.	H	α-helix	trans	-59.1	-49.5	174.1	177.5	0	0	0	0	109.9	S462 L463 H468 R469 G470 F478 S486 L488 F515	S462-V466 PolarHBondContact O-N 3.34Å; L463-V466 PolarHBondContact O-N 3.46Å; V466-H468 VanDerWaalsContact C-N 3.33Å; V466-H468 PolarHBondContact O-N 2.65Å; V466-R469 PolarHBondContact O-N 2.62Å; V466-G470 PolarHBondContact O-N 3.32Å; V466-F478 HydrophobicContact CG1-CB 4.5Å; V466-F478 HydrophobicContact CG1-CD1 3.67Å; V466-F478 HydrophobicContact CG1-CD2 4.01Å; V466-F478 HydrophobicContact CG1-CE1 3.76Å; V466-F478 HydrophobicContact CG1-CE2 4.14Å; V466-F478 HydrophobicContact CG1-CG 3.79Å; V466-F478 HydrophobicContact CG1-CZ 4Å; V466-F478 WeakPolarHBondContact O-CE1 3.34Å; V466-S486 VanDerWaalsContact CG2-CB 3.48Å; V466-S486 VanDerWaalsContact CG2-OG 3.29Å; V466-S486 WeakPolarHBondContact CG2-OG 3.31Å; V466-L488 HydrophobicContact CG2-CD1 3.64Å; V466-F515 HydrophobicContact CB-CZ 4.49Å; V466-F515 HydrophobicContact CG1-CE2 4.11Å; V466-F515 HydrophobicContact CG1-CZ 4.4Å
467	A	93.7	Very high	88.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58	-45.4	178.7	0	0	0	0	0	112	L463 Q465 G470 M471 F515 Q521 F524 T525	L463-A467 WeakPolarHBondContact O-CB 3.25Å; L463-A467 PolarHBondContact O-N 3.42Å; Q465-A467 VanDerWaalsContact C-N 3.35Å; A467-G470 PolarHBondContact O-N 3.35Å; A467-M471 WeakPolarHBondContact O-CG 3.46Å; A467-M471 PolarHBondContact O-N 3.12Å; A467-F515 HydrophobicContact CB-CE1 4.31Å; A467-F515 HydrophobicContact CB-CE2 3.88Å; A467-F515 HydrophobicContact CB-CZ 3.57Å; A467-Q521 HydrophobicContact CB-CG 3.89Å; A467-F524 HydrophobicContact CB-CB 3.76Å; A467-T525 WeakPolarHBondContact CB-OG1 3.39Å; A467-T525 PolarHBondContact O-OG1 3.09Å; A467-T525 VanDerWaalsContact O-OG1 3.11Å
468	H	93.9	Very high	88.2	Confident	14 Å²	14	38.4 Å²	38.4	7%	0.065	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-51.6	178.6	-175.3	-91.1	0	0	0	112.3	G464 Q465 V466 G470 M471 E472 T525 F528 L529 E539	G464-H468 VanDerWaalsContact O-CB 3.23Å; G464-H468 WeakPolarHBondContact O-CB 3.42Å; G464-H468 PolarHBondContact O-N 2.94Å; Q465-H468 PolarHBondContact O-N 3.12Å; V466-H468 VanDerWaalsContact C-N 3.33Å; V466-H468 PolarHBondContact O-N 2.65Å; H468-G470 PolarHBondContact O-N 3.13Å; H468-M471 PolarHBondContact O-N 3.49Å; H468-M471 VanDerWaalsContact O-N 3.12Å; H468-E472 IonicContact CE1-OE1 3.95Å; H468-E472 PolarHBondContact CE1-OE1 3.4Å; H468-E472 IonicContact CE1-OE2 2.75Å; H468-E472 PolarHBondContact CE1-OE2 3.08Å; H468-E472 IonicContact ND1-OE1 3.71Å; H468-E472 IonicContact ND1-OE2 3.49Å; H468-E472 PolarHBondContact ND1-OE2 3.36Å; H468-E472 VanDerWaalsContact ND1-OE2 3.08Å; H468-E472 WeakPolarHBondContact O-CG 3.48Å; H468-E472 PolarHBondContact O-N 2.87Å; H468-T525 HydrophobicContact CB-CG2 4.31Å; H468-T525 PolarHBondContact N-OG1 3.34Å; H468-F528 HydrophobicContact CB-CD1 3.71Å; H468-F528 HydrophobicContact CB-CE1 4.17Å; H468-F528 HydrophobicContact CB-CG 4.43Å; H468-F528 AromaticContact CD2-CD1 3.82Å; H468-F528 AromaticContact CG-CD1 3.75Å; H468-F528 AromaticContact CG-CE1 3.95Å; H468-L529 WeakPolarHBondContact NE2-CD2 3.38Å; H468-E539 IonicContact CE1-OE1 2.85Å; H468-E539 PolarHBondContact CE1-OE1 3.11Å; H468-E539 IonicContact NE2-OE1 3.85Å; H468-E539 PolarHBondContact NE2-OE1 2.91Å
469	R	90.5	Very high	88	Confident	89 Å²	89	35 Å²	35	34%	0.336	18%	0.177	S	C	.	.	H	α-helix	trans	-58.5	-40.3	177.9	-175.1	-173.8	-68.4	179.4	2.4	111.4	Q465 V466 E472 K473	Q465-R469 WeakPolarHBondContact O-CB 3.42Å; Q465-R469 PolarHBondContact O-N 2.85Å; V466-R469 PolarHBondContact O-N 2.62Å; R469-E472 PolarHBondContact O-N 3.42Å; R469-K473 PolarHBondContact O-N 3.43Å
470	G	86.7	Confident	87.7	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-49.8	174.1	0	0	0	0	0	112.4	V466 A467 H468 E472 K473 S474 L475 F478	V466-G470 PolarHBondContact O-N 3.32Å; A467-G470 PolarHBondContact O-N 3.35Å; H468-G470 PolarHBondContact O-N 3.13Å; G470-E472 PolarHBondContact O-N 3.19Å; G470-K473 CarbonylContact O-C 3.49Å; G470-K473 PolarHBondContact O-N 2.68Å; G470-S474 CarbonylContact O-C 3.53Å; G470-S474 WeakPolarHBondContact O-CA 3.31Å; G470-S474 PolarHBondContact O-N 3.36Å; G470-L475 CarbonylContact C-O 3.38Å; G470-L475 VanDerWaalsContact CA-O 3.3Å; G470-L475 WeakPolarHBondContact CA-O 3.49Å; G470-L475 PolarHBondContact O-N 3.41Å; G470-F478 VanDerWaalsContact CA-CE1 3.42Å
471	M	86	Confident	87.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.5	-43	177.3	-71.8	-52.1	-166.3	0	0	112.3	A467 H468 K473 S474 F476 L518 Q521 A522 T525 F543 H584 F585	A467-M471 WeakPolarHBondContact O-CG 3.46Å; A467-M471 PolarHBondContact O-N 3.12Å; H468-M471 PolarHBondContact O-N 3.49Å; H468-M471 VanDerWaalsContact O-N 3.12Å; M471-K473 VanDerWaalsContact C-N 3.27Å; M471-K473 PolarHBondContact O-N 3.33Å; M471-S474 PolarHBondContact O-N 3.05Å; M471-F476 HydrophobicContact SD-CE1 4.35Å; M471-L518 HydrophobicContact CE-CD1 4.24Å; M471-Q521 HydrophobicContact CE-CB 3.95Å; M471-Q521 HydrophobicContact CE-CG 3.78Å; M471-Q521 HydrophobicContact CG-CG 4.4Å; M471-Q521 HydrophobicContact SD-CG 4.35Å; M471-A522 HydrophobicContact CE-CB 3.61Å; M471-A522 VanDerWaalsContact CE-N 3.27Å; M471-T525 HydrophobicContact CB-CG2 4.14Å; M471-T525 HydrophobicContact CG-CG2 4Å; M471-T525 WeakPolarHBondContact CG-OG1 2.94Å; M471-F543 HydrophobicContact CB-CE1 4.03Å; M471-F543 HydrophobicContact CB-CZ 3.86Å; M471-H584 HydrophobicContact CE-CB 3.85Å; M471-H584 HydrophobicContact SD-CB 4.25Å; M471-H584 VanDerWaalsContact SD-CD2 3.54Å; M471-F585 HydrophobicContact CB-CE1 4.28Å; M471-F585 WeakPolarHBondContact O-CE1 3.42Å
472	E	83.9	Confident	87	Confident	75 Å²	75	44.1 Å²	44.1	35%	0.35	22%	0.216	S	C	.	.	H	α-helix	trans	-59.5	-36.7	177.8	-73.3	-179	113.3	0	0	113.1	H468 R469 G470 R542 F543	H468-E472 IonicContact CE1-OE1 3.95Å; H468-E472 PolarHBondContact CE1-OE1 3.4Å; H468-E472 IonicContact CE1-OE2 2.75Å; H468-E472 PolarHBondContact CE1-OE2 3.08Å; H468-E472 IonicContact ND1-OE1 3.71Å; H468-E472 IonicContact ND1-OE2 3.49Å; H468-E472 PolarHBondContact ND1-OE2 3.36Å; H468-E472 VanDerWaalsContact ND1-OE2 3.08Å; H468-E472 WeakPolarHBondContact O-CG 3.48Å; H468-E472 PolarHBondContact O-N 2.87Å; R469-E472 PolarHBondContact O-N 3.42Å; G470-E472 PolarHBondContact O-N 3.19Å; E472-R542 IonicContact OE1-CZ 3.51Å; E472-R542 IonicContact OE1-NH1 2.76Å; E472-R542 PolarHBondContact OE1-NH1 2.75Å; E472-R542 IonicContact OE1-NH2 3.91Å; E472-F543 HydrophobicContact CG-CZ 4.37Å
473	K	81.9	Confident	86.7	Confident	126 Å²	126	43.3 Å²	43.3	55%	0.548	21%	0.21	S	C	.	.	H	α-helix	trans	-95.9	-1.2	-179.2	-64.7	-177.6	178.4	-176.7	0	113.7	R469 G470 M471 L475	R469-K473 PolarHBondContact O-N 3.43Å; G470-K473 CarbonylContact O-C 3.49Å; G470-K473 PolarHBondContact O-N 2.68Å; M471-K473 VanDerWaalsContact C-N 3.27Å; M471-K473 PolarHBondContact O-N 3.33Å; K473-L475 HydrophobicContact CB-CB 4.44Å; K473-L475 HydrophobicContact CB-CD1 3.74Å; K473-L475 HydrophobicContact CB-CG 3.7Å; K473-L475 HydrophobicContact CD-CD1 3.66Å; K473-L475 HydrophobicContact CG-CD1 4.39Å; K473-L475 PolarHBondContact O-N 3.1Å
474	S	77.4	Confident	86.3	Confident	49 Å²	49	48 Å²	48	34%	0.343	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	39.2	-166.9	-54.9	0	0	0	0	113.1	G470 M471	G470-S474 CarbonylContact O-C 3.53Å; G470-S474 WeakPolarHBondContact O-CA 3.31Å; G470-S474 PolarHBondContact O-N 3.36Å; M471-S474 PolarHBondContact O-N 3.05Å
475	L	80.9	Confident	86	Confident	64 Å²	64	51.3 Å²	51.3	34%	0.335	26%	0.259	S	S	.	.			trans	-98.6	131.9	172.8	-62.5	173.3	0	0	0	109.6	G470 K473 Q521	G470-L475 CarbonylContact C-O 3.38Å; G470-L475 VanDerWaalsContact CA-O 3.3Å; G470-L475 WeakPolarHBondContact CA-O 3.49Å; G470-L475 PolarHBondContact O-N 3.41Å; K473-L475 HydrophobicContact CB-CB 4.44Å; K473-L475 HydrophobicContact CB-CD1 3.74Å; K473-L475 HydrophobicContact CB-CG 3.7Å; K473-L475 HydrophobicContact CD-CD1 3.66Å; K473-L475 HydrophobicContact CG-CD1 4.39Å; K473-L475 PolarHBondContact O-N 3.1Å; L475-Q521 PolarHBondContact O-NE2 3.32Å; L475-Q521 VanDerWaalsContact O-NE2 3.1Å
476	F	81.2	Confident	85.6	Confident	75 Å²	75	48.2 Å²	48.2	33%	0.329	25%	0.245	S	C	.	.			trans	-116.3	-10	178.2	-51	-60.3	0	0	0	112.5	M471 E514 L518 H584	M471-F476 HydrophobicContact SD-CE1 4.35Å; F476-E514 WeakPolarHBondContact O-CA 3.49Å; F476-E514 WeakPolarHBondContact O-CB 3.39Å; F476-L518 HydrophobicContact CD1-CD1 3.34Å; F476-L518 HydrophobicContact CE1-CD1 3.34Å; F476-L518 HydrophobicContact CG-CD1 4.28Å; F476-L518 HydrophobicContact CZ-CD1 4.26Å; F476-H584 AromaticContact CZ-CE1 3.8Å; F476-H584 AromaticContact CZ-NE2 3.97Å
477	V	84.1	Confident	85.2	Confident	63 Å²	63	50 Å²	50	38%	0.382	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.2	173.4	-177.8	0	0	0	0	107.4	L501 Y513	V477-L501 HydrophobicContact CB-CD1 4.49Å; V477-L501 HydrophobicContact CG1-CD1 3.9Å; V477-L501 HydrophobicContact CG2-CD1 3.77Å; V477-Y513 CarbonylContact C-O 3.48Å; V477-Y513 WeakPolarHBondContact CA-O 3.48Å
478	F	83.9	Confident	84.8	Confident	3 Å²	3	50.3 Å²	50.3	1%	0.013	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.1	-173	-55.5	-84.8	0	0	0	109.4	V466 G470 V483 S512 Y513 F515	V466-F478 HydrophobicContact CG1-CB 4.5Å; V466-F478 HydrophobicContact CG1-CD1 3.67Å; V466-F478 HydrophobicContact CG1-CD2 4.01Å; V466-F478 HydrophobicContact CG1-CE1 3.76Å; V466-F478 HydrophobicContact CG1-CE2 4.14Å; V466-F478 HydrophobicContact CG1-CG 3.79Å; V466-F478 HydrophobicContact CG1-CZ 4Å; V466-F478 WeakPolarHBondContact O-CE1 3.34Å; G470-F478 VanDerWaalsContact CA-CE1 3.42Å; F478-V483 HydrophobicContact CB-CG2 3.81Å; F478-S512 CarbonylContact O-C 3.58Å; F478-S512 WeakPolarHBondContact O-CA 3.18Å; F478-Y513 WeakPolarHBondContact CD2-O 3.48Å; F478-Y513 PolarHBondContact N-O 3.32Å; F478-Y513 PolarHBondContact O-N 3.28Å; F478-F515 AromaticContact CE2-CD2 3.75Å; F478-F515 HydrophobicContact CE2-CD2 3.75Å; F478-F515 AromaticContact CE2-CE2 3.75Å; F478-F515 HydrophobicContact CE2-CE2 3.75Å; F478-F515 HydrophobicContact CZ-CD2 4.38Å; F478-F515 HydrophobicContact CZ-CE2 4.09Å
479	T	84.2	Confident	84.2	Confident	43 Å²	43	54.9 Å²	54.9	26%	0.264	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	157.2	172.6	58.9	0	0	0	0	110.9	E481 E482 V483	T479-E481 PolarHBondContact O-N 3.11Å; T479-E482 PolarHBondContact N-OE2 2.92Å; T479-E482 PolarHBondContact O-N 3.37Å; T479-E482 VanDerWaalsContact OG1-CG 3.27Å; T479-E482 WeakPolarHBondContact OG1-CG 3.43Å; T479-E482 PolarHBondContact OG1-N 3.24Å; T479-E482 PolarHBondContact OG1-OE2 3.44Å; T479-V483 WeakPolarHBondContact O-CG2 3.23Å; T479-V483 PolarHBondContact O-N 3.48Å; T479-V483 VanDerWaalsContact O-N 3.12Å
480	Q	82.9	Confident	83.5	Confident	61 Å²	61	54.9 Å²	54.9	29%	0.285	29%	0.291	S	S	.	.	H	α-helix	trans	-52.5	-40.5	174.6	-174.2	172.7	1	0	0	113	E482 V483 Q484 Q511 Y513	Q480-E482 PolarHBondContact O-N 3.37Å; Q480-V483 PolarHBondContact O-N 3.07Å; Q480-Q484 HydrophobicContact CG-CG 4.44Å; Q480-Q484 WeakPolarHBondContact O-CB 3.42Å; Q480-Q484 WeakPolarHBondContact O-CG 3.15Å; Q480-Q484 PolarHBondContact O-N 3.13Å; Q480-Q511 WeakPolarHBondContact CB-O 3.34Å; Q480-Q511 PolarHBondContact N-O 3.31Å; Q480-Y513 HydrophobicContact CB-CE2 3.96Å; Q480-Y513 HydrophobicContact CG-CE2 4.19Å
481	E	84.4	Confident	82.9	Confident	124 Å²	124	61.4 Å²	61.4	58%	0.579	32%	0.316	S	S	*	.	H	α-helix	trans	-61.7	-41.6	177.1	-64.3	177	-169.6	0	0	112.1	T479 A485 Q510	T479-E481 PolarHBondContact O-N 3.11Å; E481-A485 WeakPolarHBondContact O-CB 3.33Å; E481-A485 PolarHBondContact O-N 3.45Å; E481-Q510 PolarHBondContact OE1-NE2 3.22Å
482	E	84.8	Confident	82.6	Confident	47 Å²	47	61.9 Å²	61.9	22%	0.22	32%	0.318	C	S	.	.	H	α-helix	trans	-67.6	-37.1	178.5	-73.6	175.4	135.7	0	0	112.7	T479 Q480 S486	T479-E482 PolarHBondContact N-OE2 2.92Å; T479-E482 PolarHBondContact O-N 3.37Å; T479-E482 VanDerWaalsContact OG1-CG 3.27Å; T479-E482 WeakPolarHBondContact OG1-CG 3.43Å; T479-E482 PolarHBondContact OG1-N 3.24Å; T479-E482 PolarHBondContact OG1-OE2 3.44Å; Q480-E482 PolarHBondContact O-N 3.37Å; E482-S486 PolarHBondContact O-OG 2.93Å
483	V	85.8	Confident	82.2	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.006	31%	0.308	C	S	.	.	H	α-helix	trans	-66.5	-50.6	176.2	174.1	0	0	0	0	109.9	F478 T479 Q480 A485 S486 L488 M493 L498 Y513	F478-V483 HydrophobicContact CB-CG2 3.81Å; T479-V483 WeakPolarHBondContact O-CG2 3.23Å; T479-V483 PolarHBondContact O-N 3.48Å; T479-V483 VanDerWaalsContact O-N 3.12Å; Q480-V483 PolarHBondContact O-N 3.07Å; V483-A485 PolarHBondContact O-N 2.99Å; V483-S486 PolarHBondContact O-N 2.89Å; V483-L488 HydrophobicContact CG1-CB 4.01Å; V483-L488 HydrophobicContact CG1-CD1 3.7Å; V483-L488 HydrophobicContact CG1-CG 4.5Å; V483-M493 HydrophobicContact CG1-SD 4.17Å; V483-L498 HydrophobicContact CG1-CD1 4.24Å; V483-Y513 HydrophobicContact CB-CD2 4.44Å; V483-Y513 HydrophobicContact CG2-CD2 3.8Å; V483-Y513 HydrophobicContact CG2-CG 4.25Å
484	Q	86	Confident	81.7	Confident	101 Å²	101	55 Å²	55	47%	0.472	29%	0.289	S	S	.	.	H	α-helix	trans	-65.8	-35.4	179.7	-71.6	178.6	-9.6	0	0	112.7	Q480 S486 G487	Q480-Q484 HydrophobicContact CG-CG 4.44Å; Q480-Q484 WeakPolarHBondContact O-CB 3.42Å; Q480-Q484 WeakPolarHBondContact O-CG 3.15Å; Q480-Q484 PolarHBondContact O-N 3.13Å; Q484-S486 PolarHBondContact O-N 3.3Å; Q484-S486 VanDerWaalsContact O-N 3.07Å; Q484-G487 PolarHBondContact O-N 2.63Å
485	A	86.4	Confident	81.6	Confident	69 Å²	69	52.8 Å²	52.8	57%	0.57	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.9	176	0	0	0	0	0	113.8	E481 V483 G487	E481-A485 WeakPolarHBondContact O-CB 3.33Å; E481-A485 PolarHBondContact O-N 3.45Å; V483-A485 PolarHBondContact O-N 2.99Å; A485-G487 VanDerWaalsContact C-N 3.32Å
486	S	85.8	Confident	81.3	Confident	6 Å²	6	49.9 Å²	49.9	4%	0.042	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	4.6	174.7	-53.6	0	0	0	0	113.1	S462 Q465 V466 E482 V483 Q484 L488	S462-S486 VanDerWaalsContact CB-O 3.22Å; S462-S486 WeakPolarHBondContact CB-O 2.99Å; S462-S486 PolarHBondContact OG-O 3.09Å; Q465-S486 PolarHBondContact OE1-O 3.43Å; V466-S486 VanDerWaalsContact CG2-CB 3.48Å; V466-S486 VanDerWaalsContact CG2-OG 3.29Å; V466-S486 WeakPolarHBondContact CG2-OG 3.31Å; E482-S486 PolarHBondContact O-OG 2.93Å; V483-S486 PolarHBondContact O-N 2.89Å; Q484-S486 PolarHBondContact O-N 3.3Å; Q484-S486 VanDerWaalsContact O-N 3.07Å; S486-L488 VanDerWaalsContact C-N 3.32Å
487	G	84.9	Confident	81.4	Confident	40 Å²	40	46.4 Å²	46.4	41%	0.412	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	8.7	-178.7	0	0	0	0	0	114.6	Q484 A485 Q489	Q484-G487 PolarHBondContact O-N 2.63Å; A485-G487 VanDerWaalsContact C-N 3.32Å; G487-Q489 PolarHBondContact O-N 3.16Å
488	L	86	Confident	81.3	Confident	6 Å²	6	44 Å²	44	3%	0.031	23%	0.228	C	C	.	.			trans	-66.1	124.7	173.1	-75.5	173.6	0	0	0	110	S462 L463 V466 V483 S486 D492 L498	S462-L488 VanDerWaalsContact CB-CD2 3.48Å; L463-L488 HydrophobicContact CD2-CD1 3.96Å; L463-L488 HydrophobicContact CD2-CD2 3.96Å; L463-L488 HydrophobicContact CG-CD2 3.82Å; V466-L488 HydrophobicContact CG2-CD1 3.64Å; V483-L488 HydrophobicContact CG1-CB 4.01Å; V483-L488 HydrophobicContact CG1-CD1 3.7Å; V483-L488 HydrophobicContact CG1-CG 4.5Å; S486-L488 VanDerWaalsContact C-N 3.32Å; L488-D492 HydrophobicContact CD2-CB 3.75Å; L488-L498 HydrophobicContact CD1-CD1 4.11Å
489	Q	81.1	Confident	80.9	Confident	110 Å²	110	47.8 Å²	47.8	51%	0.514	24%	0.242	S	C	.	.			trans	-86.5	159.5	174.9	-61.3	-64.6	-30	0	0	109.5	G487 R491 D492 M493	G487-Q489 PolarHBondContact O-N 3.16Å; Q489-R491 HydrophobicContact CB-CG 3.85Å; Q489-R491 PolarHBondContact O-N 3.32Å; Q489-D492 WeakPolarHBondContact CB-OD2 3.45Å; Q489-D492 PolarHBondContact N-OD2 3.43Å; Q489-D492 WeakPolarHBondContact O-CA 3.06Å; Q489-D492 WeakPolarHBondContact O-CB 3.11Å; Q489-D492 PolarHBondContact O-N 3.28Å; Q489-M493 PolarHBondContact O-N 2.9Å
490	E	75.3	Confident	80.5	Confident	90 Å²	90	46.6 Å²	46.6	42%	0.421	24%	0.237	S	C	.	.	H	α-helix	trans	-55.3	-37.6	177.1	-169.3	-178.8	177.7	0	0	112.8	D492 M493 Q494	E490-D492 PolarHBondContact O-N 2.97Å; E490-M493 HydrophobicContact CB-CE 4.06Å; E490-M493 HydrophobicContact CG-CE 3.89Å; E490-M493 WeakPolarHBondContact O-CB 3.49Å; E490-M493 PolarHBondContact O-N 3.18Å; E490-M493 VanDerWaalsContact O-N 3.08Å; E490-Q494 PolarHBondContact O-N 3.42Å
491	R	73.5	Confident	79.6	Confident	137 Å²	137	45.8 Å²	45.8	52%	0.517	23%	0.234	S	C	.	.	H	α-helix	trans	-57	-32	172.7	81.4	-173.5	179.4	-177.3	-3.1	113.2	M436 Q489 Q494	M436-R491 HydrophobicContact CE-CB 3.58Å; M436-R491 HydrophobicContact CE-CG 4.01Å; M436-R491 WeakPolarHBondContact CE-O 3.41Å; M436-R491 VanDerWaalsContact SD-O 3.4Å; Q489-R491 HydrophobicContact CB-CG 3.85Å; Q489-R491 PolarHBondContact O-N 3.32Å; R491-Q494 PolarHBondContact O-N 3.34Å
492	D	80.1	Confident	78.3	Confident	9 Å²	9	43 Å²	43	5%	0.048	23%	0.226	C	C	.	.	H	α-helix	trans	-77.3	-30.2	-179.7	-57.3	-46.8	0	0	0	110.8	T459 L488 Q489 E490 Q494 L495	T459-D492 HydrophobicContact CG2-CB 3.92Å; T459-D492 WeakPolarHBondContact CG2-OD1 3.46Å; T459-D492 PolarHBondContact OG1-OD1 3.4Å; L488-D492 HydrophobicContact CD2-CB 3.75Å; Q489-D492 WeakPolarHBondContact CB-OD2 3.45Å; Q489-D492 PolarHBondContact N-OD2 3.43Å; Q489-D492 WeakPolarHBondContact O-CA 3.06Å; Q489-D492 WeakPolarHBondContact O-CB 3.11Å; Q489-D492 PolarHBondContact O-N 3.28Å; E490-D492 PolarHBondContact O-N 2.97Å; D492-Q494 PolarHBondContact O-N 3.41Å; D492-L495 HydrophobicContact CB-CD1 4.45Å; D492-L495 VanDerWaalsContact O-CB 3.31Å; D492-L495 WeakPolarHBondContact O-CB 3.31Å; D492-L495 PolarHBondContact O-N 3.09Å; D492-L495 VanDerWaalsContact O-N 3.09Å
493	M	74.9	Confident	76.8	Confident	26 Å²	26	45.6 Å²	45.6	13%	0.128	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-29.5	174	-56.1	-165.1	-78.7	0	0	111.3	R333 V483 Q489 E490 L495 Y513	R333-M493 PolarHBondContact NH1-O 3.4Å; V483-M493 HydrophobicContact CG1-SD 4.17Å; Q489-M493 PolarHBondContact O-N 2.9Å; E490-M493 HydrophobicContact CB-CE 4.06Å; E490-M493 HydrophobicContact CG-CE 3.89Å; E490-M493 WeakPolarHBondContact O-CB 3.49Å; E490-M493 PolarHBondContact O-N 3.18Å; E490-M493 VanDerWaalsContact O-N 3.08Å; M493-L495 PolarHBondContact O-N 2.94Å; M493-Y513 HydrophobicContact SD-CD1 4.44Å; M493-Y513 HydrophobicContact SD-CE1 3.75Å; M493-Y513 HydrophobicContact SD-CE2 4.06Å; M493-Y513 VanDerWaalsContact SD-CZ 3.53Å
494	Q	71.8	Confident	74.8	Confident	32 Å²	32	54.3 Å²	54.3	15%	0.15	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-5.5	174.4	-63.7	175.5	-11.3	0	0	114	D287 R333 M436 E490 R491 D492 G496	D287-Q494 PolarHBondContact O-NE2 2.91Å; D287-Q494 VanDerWaalsContact O-NE2 3.16Å; R333-Q494 PolarHBondContact NH2-O 3.3Å; M436-Q494 HydrophobicContact SD-CB 4.49Å; E490-Q494 PolarHBondContact O-N 3.42Å; R491-Q494 PolarHBondContact O-N 3.34Å; D492-Q494 PolarHBondContact O-N 3.41Å; Q494-G496 PolarHBondContact O-N 3.09Å
495	L	75.7	Confident	73	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.01	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.6	174	-76.2	162.6	0	0	0	113.2	H432 L433 M436 T459 D492 M493 F497	H432-L495 PolarHBondContact ND1-O 3.47Å; H432-L495 WeakPolarHBondContact O-CD2 3.44Å; L433-L495 HydrophobicContact CD2-CD1 4.28Å; L433-L495 HydrophobicContact CD2-CD2 4.34Å; M436-L495 HydrophobicContact CB-CD2 4.3Å; M436-L495 HydrophobicContact CG-CD2 3.28Å; M436-L495 HydrophobicContact CG-CG 3.79Å; M436-L495 HydrophobicContact SD-CD2 4.49Å; T459-L495 HydrophobicContact CG2-CD1 3.2Å; D492-L495 HydrophobicContact CB-CD1 4.45Å; D492-L495 VanDerWaalsContact O-CB 3.31Å; D492-L495 WeakPolarHBondContact O-CB 3.31Å; D492-L495 PolarHBondContact O-N 3.09Å; D492-L495 VanDerWaalsContact O-N 3.09Å; M493-L495 PolarHBondContact O-N 2.94Å; L495-F497 HydrophobicContact CB-CD2 3.62Å; L495-F497 HydrophobicContact CB-CE2 3.85Å; L495-F497 HydrophobicContact CD1-CD2 4.22Å; L495-F497 HydrophobicContact CD1-CE2 4.05Å; L495-F497 HydrophobicContact CG-CE2 4.39Å
496	G	75	Confident	71.1	Confident	3 Å²	3	55.3 Å²	55.3	3%	0.031	30%	0.301	C	S	.	.	S	Bend	trans	84	19.9	179.6	0	0	0	0	0	114.4	Q494	Q494-G496 PolarHBondContact O-N 3.09Å
497	F	83.6	Confident	69.2	Low	2 Å²	2	57.8 Å²	57.8	1%	0.009	33%	0.328	C	S	.	.	S	Bend	trans	-82.6	-28.9	167.2	-61	-60.7	0	0	0	112.4	T429 H432 L463 L495 F516 L520 F524	T429-F497 HydrophobicContact CG2-CZ 4.4Å; H432-F497 HydrophobicContact CB-CD1 4.35Å; H432-F497 HydrophobicContact CB-CE1 3.47Å; H432-F497 VanDerWaalsContact CB-CE1 3.47Å; H432-F497 HydrophobicContact CB-CE2 3.87Å; H432-F497 HydrophobicContact CB-CZ 3.21Å; H432-F497 AromaticContact CD2-CE1 3.94Å; H432-F497 AromaticContact CG-CE1 3.62Å; H432-F497 AromaticContact CG-CZ 3.91Å; L463-F497 HydrophobicContact CD1-CB 4.48Å; L463-F497 HydrophobicContact CD1-CD2 3.42Å; L463-F497 VanDerWaalsContact CD1-CD2 3.42Å; L463-F497 HydrophobicContact CD1-CE2 3.86Å; L463-F497 HydrophobicContact CD1-CG 4.22Å; L463-F497 HydrophobicContact CD2-CB 4.44Å; L495-F497 HydrophobicContact CB-CD2 3.62Å; L495-F497 HydrophobicContact CB-CE2 3.85Å; L495-F497 HydrophobicContact CD1-CD2 4.22Å; L495-F497 HydrophobicContact CD1-CE2 4.05Å; L495-F497 HydrophobicContact CG-CE2 4.39Å; F497-F516 PolarHBondContact O-N 2.81Å; F497-L520 HydrophobicContact CB-CD2 4.19Å; F497-L520 HydrophobicContact CD1-CD1 4.4Å; F497-L520 HydrophobicContact CD1-CD2 3.97Å; F497-F524 HydrophobicContact CB-CE2 4.06Å; F497-F524 AromaticContact CD1-CE2 3.69Å; F497-F524 HydrophobicContact CD1-CE2 3.69Å; F497-F524 AromaticContact CD1-CZ 3.66Å; F497-F524 HydrophobicContact CD1-CZ 3.66Å; F497-F524 HydrophobicContact CD2-CE2 4.45Å; F497-F524 HydrophobicContact CD2-CZ 4.14Å; F497-F524 HydrophobicContact CE1-CE2 4.13Å; F497-F524 AromaticContact CE1-CZ 3.64Å; F497-F524 HydrophobicContact CE1-CZ 3.64Å; F497-F524 HydrophobicContact CE2-CZ 4.12Å; F497-F524 AromaticContact CG-CE2 3.83Å; F497-F524 HydrophobicContact CG-CE2 3.83Å; F497-F524 AromaticContact CG-CZ 3.88Å; F497-F524 HydrophobicContact CG-CZ 3.88Å; F497-F524 AromaticContact CZ-CZ 3.84Å; F497-F524 HydrophobicContact CZ-CZ 3.84Å
498	L	82.3	Confident	67.5	Low	11 Å²	11	59.7 Å²	59.7	6%	0.058	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	144.1	175.3	-63.3	174.6	0	0	0	110.2	L463 V483 L488 E514 F515	L463-L498 HydrophobicContact CD2-CD1 4.21Å; L463-L498 HydrophobicContact CD2-CG 4.27Å; V483-L498 HydrophobicContact CG1-CD1 4.24Å; L488-L498 HydrophobicContact CD1-CD1 4.11Å; L498-E514 CarbonylContact C-O 3.53Å; L498-E514 VanDerWaalsContact CA-O 3.29Å; L498-E514 WeakPolarHBondContact CA-O 3.39Å; L498-F515 HydrophobicContact CD2-CD1 3.87Å; L498-F515 HydrophobicContact CD2-CD2 3.9Å; L498-F515 HydrophobicContact CD2-CE1 3.87Å; L498-F515 HydrophobicContact CD2-CE2 3.9Å; L498-F515 HydrophobicContact CD2-CG 3.88Å; L498-F515 HydrophobicContact CD2-CZ 3.87Å
499	R	75.3	Confident	66	Low	83 Å²	83	66.9 Å²	66.9	31%	0.313	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.5	175.3	177.8	178.1	-177.4	-143.6	7.8	108.5	D203 Y513 E514	D203-R499 IonicContact OD1-CZ 2.88Å; D203-R499 IonicContact OD1-NE 2.8Å; D203-R499 PolarHBondContact OD1-NE 2.84Å; D203-R499 IonicContact OD1-NH2 3.8Å; R499-Y513 CarbonylContact O-C 3.42Å; R499-Y513 VanDerWaalsContact O-CA 3.29Å; R499-Y513 WeakPolarHBondContact O-CA 3.35Å; R499-E514 HydrophobicContact CB-CG 4Å; R499-E514 WeakPolarHBondContact CD-OE1 3.24Å; R499-E514 HydrophobicContact CG-CG 4.47Å; R499-E514 IonicContact CZ-OE1 3.19Å; R499-E514 PolarHBondContact N-O 3.04Å; R499-E514 IonicContact NE-OE1 3.98Å; R499-E514 IonicContact NH1-OE1 2.9Å; R499-E514 PolarHBondContact NH1-OE1 2.96Å; R499-E514 PolarHBondContact O-N 3.17Å
500	A	74.4	Confident	65.1	Low	19 Å²	19	66.2 Å²	66.2	16%	0.157	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	135	172.8	0	0	0	0	0	109.9	S512 Y513	A500-S512 WeakPolarHBondContact CA-O 3.49Å; A500-Y513 HydrophobicContact CB-CD1 4.2Å; A500-Y513 HydrophobicContact CB-CE1 4.06Å
501	L	65.6	Low	64.9	Low	44 Å²	44	66.2 Å²	66.2	23%	0.23	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.3	174.1	-68.8	176.3	0	0	0	109.4	V477 E503 S512 E514	V477-L501 HydrophobicContact CB-CD1 4.49Å; V477-L501 HydrophobicContact CG1-CD1 3.9Å; V477-L501 HydrophobicContact CG2-CD1 3.77Å; L501-E503 PolarHBondContact O-N 3.2Å; L501-S512 PolarHBondContact N-O 2.68Å; L501-E514 HydrophobicContact CD1-CB 4.31Å; L501-E514 HydrophobicContact CD1-CG 4.23Å; L501-E514 HydrophobicContact CD2-CG 4.25Å; L501-E514 HydrophobicContact CG-CG 4.12Å
502	P	56.9	Low	65.1	Low	64 Å²	64	60 Å²	60	42%	0.416	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-73.9	117.6	168.2	27.2	-28.2	0	0	0	109.5
503	E	53.1	Low	65.2	Low	102 Å²	102	60.3 Å²	60.3	48%	0.477	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-73.9	127.7	172.1	-76.6	-172	-176.7	0	0	110.8	L501 G505 S512	L501-E503 PolarHBondContact O-N 3.2Å; E503-G505 VanDerWaalsContact C-N 3.32Å; E503-G505 PolarHBondContact O-N 2.81Å; E503-S512 PolarHBondContact OE1-OG 3.12Å
504	L	42.9	Very low	65.5	Low	184 Å²	184	61.2 Å²	61.2	96%	0.963	37%	0.365	S	S	*	.			trans	-87.4	72	164.6	-84.8	96.3	0	0	0	109.2
505	G	47.7	Very low	66.1	Low	39 Å²	39	60.1 Å²	60.1	40%	0.402	36%	0.359	S	S	.	.	S	Bend	trans	-131.7	150.6	175.6	0	0	0	0	0	112.1	E503 G507	E503-G505 VanDerWaalsContact C-N 3.32Å; E503-G505 PolarHBondContact O-N 2.81Å; G505-G507 PolarHBondContact O-N 3.44Å
506	P	47.1	Very low	65.9	Low	153 Å²	153	61.7 Å²	61.7	99%	0.994	37%	0.366	S	S	*	.	S	Bend	trans	-72.3	10.2	-179.2	-12.4	27.8	0	0	0	115.7
507	G	46	Very low	66	Low	58 Å²	58	64.4 Å²	64.4	60%	0.598	38%	0.378	S	S	*	.			trans	-131.4	86	177.8	0	0	0	0	0	109.9	G505 D509	G505-G507 PolarHBondContact O-N 3.44Å; G507-D509 VanDerWaalsContact C-N 3.31Å; G507-D509 PolarHBondContact O-N 2.82Å
508	G	48.6	Very low	65.9	Low	79 Å²	79	67.6 Å²	67.6	81%	0.814	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	35.9	-164.1	0	0	0	0	0	117.8
509	D	55.1	Low	66	Low	157 Å²	157	67.5 Å²	67.5	84%	0.84	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-5.5	-174.9	-87.2	-3.5	0	0	0	115.8	G507	G507-D509 VanDerWaalsContact C-N 3.31Å; G507-D509 PolarHBondContact O-N 2.82Å
510	Q	62.2	Low	66.6	Low	96 Å²	96	63.7 Å²	63.7	45%	0.449	38%	0.38	S	S	.	.			trans	-112.2	118.6	177.4	-72.2	-171.4	-24	0	0	112.2	E481	E481-Q510 PolarHBondContact OE1-NE2 3.22Å
511	Q	70.4	Confident	67.4	Low	90 Å²	90	62.9 Å²	62.9	42%	0.421	37%	0.373	S	S	.	.			trans	-81.7	133.4	171	-71.9	-173.1	4	0	0	110.6	Q480 Y513	Q480-Q511 WeakPolarHBondContact CB-O 3.34Å; Q480-Q511 PolarHBondContact N-O 3.31Å; Q511-Y513 HydrophobicContact CB-CE2 4.15Å; Q511-Y513 PolarHBondContact OE1-OH 3.21Å
512	S	78.5	Confident	68.7	Low	8 Å²	8	60.8 Å²	60.8	6%	0.056	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	145.1	171.6	-82.8	0	0	0	0	110.2	F478 A500 L501 E503	F478-S512 CarbonylContact O-C 3.58Å; F478-S512 WeakPolarHBondContact O-CA 3.18Å; A500-S512 WeakPolarHBondContact CA-O 3.49Å; L501-S512 PolarHBondContact N-O 2.68Å; E503-S512 PolarHBondContact OE1-OG 3.12Å
513	Y	82.2	Confident	70.5	Confident	14 Å²	14	57.7 Å²	57.7	6%	0.055	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.2	-177.1	-61.2	-83.2	0	0	0	111	V477 F478 Q480 V483 M493 R499 A500 Q511	V477-Y513 CarbonylContact C-O 3.48Å; V477-Y513 WeakPolarHBondContact CA-O 3.48Å; F478-Y513 WeakPolarHBondContact CD2-O 3.48Å; F478-Y513 PolarHBondContact N-O 3.32Å; F478-Y513 PolarHBondContact O-N 3.28Å; Q480-Y513 HydrophobicContact CB-CE2 3.96Å; Q480-Y513 HydrophobicContact CG-CE2 4.19Å; V483-Y513 HydrophobicContact CB-CD2 4.44Å; V483-Y513 HydrophobicContact CG2-CD2 3.8Å; V483-Y513 HydrophobicContact CG2-CG 4.25Å; M493-Y513 HydrophobicContact SD-CD1 4.44Å; M493-Y513 HydrophobicContact SD-CE1 3.75Å; M493-Y513 HydrophobicContact SD-CE2 4.06Å; M493-Y513 VanDerWaalsContact SD-CZ 3.53Å; R499-Y513 CarbonylContact O-C 3.42Å; R499-Y513 VanDerWaalsContact O-CA 3.29Å; R499-Y513 WeakPolarHBondContact O-CA 3.35Å; A500-Y513 HydrophobicContact CB-CD1 4.2Å; A500-Y513 HydrophobicContact CB-CE1 4.06Å; Q511-Y513 HydrophobicContact CB-CE2 4.15Å; Q511-Y513 PolarHBondContact OE1-OH 3.21Å
514	E	81.6	Confident	72.5	Confident	46 Å²	46	52.9 Å²	52.9	22%	0.215	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	155.5	169.4	65.5	179.2	-173.6	0	0	110	F476 L498 R499 L501	F476-E514 WeakPolarHBondContact O-CA 3.49Å; F476-E514 WeakPolarHBondContact O-CB 3.39Å; L498-E514 CarbonylContact C-O 3.53Å; L498-E514 VanDerWaalsContact CA-O 3.29Å; L498-E514 WeakPolarHBondContact CA-O 3.39Å; R499-E514 HydrophobicContact CB-CG 4Å; R499-E514 WeakPolarHBondContact CD-OE1 3.24Å; R499-E514 HydrophobicContact CG-CG 4.47Å; R499-E514 IonicContact CZ-OE1 3.19Å; R499-E514 PolarHBondContact N-O 3.04Å; R499-E514 IonicContact NE-OE1 3.98Å; R499-E514 IonicContact NH1-OE1 2.9Å; R499-E514 PolarHBondContact NH1-OE1 2.96Å; R499-E514 PolarHBondContact O-N 3.17Å; L501-E514 HydrophobicContact CD1-CB 4.31Å; L501-E514 HydrophobicContact CD1-CG 4.23Å; L501-E514 HydrophobicContact CD2-CG 4.25Å; L501-E514 HydrophobicContact CG-CG 4.12Å
515	F	84	Confident	75	Confident	8 Å²	8	44.1 Å²	44.1	4%	0.035	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	142	167.1	-77.5	-92.3	0	0	0	109.6	V466 A467 F478 L498 H517 L520 Q521 F524	V466-F515 HydrophobicContact CB-CZ 4.49Å; V466-F515 HydrophobicContact CG1-CE2 4.11Å; V466-F515 HydrophobicContact CG1-CZ 4.4Å; A467-F515 HydrophobicContact CB-CE1 4.31Å; A467-F515 HydrophobicContact CB-CE2 3.88Å; A467-F515 HydrophobicContact CB-CZ 3.57Å; F478-F515 AromaticContact CE2-CD2 3.75Å; F478-F515 HydrophobicContact CE2-CD2 3.75Å; F478-F515 AromaticContact CE2-CE2 3.75Å; F478-F515 HydrophobicContact CE2-CE2 3.75Å; F478-F515 HydrophobicContact CZ-CD2 4.38Å; F478-F515 HydrophobicContact CZ-CE2 4.09Å; L498-F515 HydrophobicContact CD2-CD1 3.87Å; L498-F515 HydrophobicContact CD2-CD2 3.9Å; L498-F515 HydrophobicContact CD2-CE1 3.87Å; L498-F515 HydrophobicContact CD2-CE2 3.9Å; L498-F515 HydrophobicContact CD2-CG 3.88Å; L498-F515 HydrophobicContact CD2-CZ 3.87Å; F515-H517 PolarHBondContact O-N 2.77Å; F515-L520 HydrophobicContact CD1-CD2 4.48Å; F515-L520 HydrophobicContact CD1-CG 4.47Å; F515-Q521 HydrophobicContact CB-CB 3.93Å; F515-Q521 HydrophobicContact CD1-CB 4.35Å; F515-Q521 HydrophobicContact CD2-CB 3.63Å; F515-Q521 HydrophobicContact CD2-CG 3.52Å; F515-Q521 HydrophobicContact CE2-CB 4.26Å; F515-Q521 HydrophobicContact CE2-CG 3.77Å; F515-Q521 HydrophobicContact CG-CB 3.7Å; F515-Q521 HydrophobicContact CG-CG 4.12Å; F515-F524 HydrophobicContact CD1-CD2 4.06Å; F515-F524 HydrophobicContact CE1-CB 4.48Å; F515-F524 AromaticContact CE1-CD2 3.67Å; F515-F524 HydrophobicContact CE1-CD2 3.67Å; F515-F524 HydrophobicContact CE1-CE2 4.36Å; F515-F524 HydrophobicContact CE1-CG 4.43Å
516	F	72.1	Confident	77.4	Confident	36 Å²	36	42.2 Å²	42.2	16%	0.158	26%	0.255	C	S	.	.	S	Bend	trans	-52.4	-28.7	179.6	179.6	-99	0	0	0	113.5	D203 V390 F393 F497 L520	D203-F516 HydrophobicContact CB-CD2 4.38Å; D203-F516 HydrophobicContact CB-CE2 3.62Å; V390-F516 HydrophobicContact CG1-CZ 4.41Å; V390-F516 HydrophobicContact CG2-CE1 4.07Å; V390-F516 HydrophobicContact CG2-CZ 3.55Å; F393-F516 AromaticContact CD2-CE1 3.97Å; F393-F516 HydrophobicContact CD2-CE1 3.97Å; F393-F516 AromaticContact CE2-CD1 3.54Å; F393-F516 HydrophobicContact CE2-CD1 3.54Å; F393-F516 AromaticContact CE2-CE1 3.24Å; F393-F516 HydrophobicContact CE2-CE1 3.24Å; F393-F516 HydrophobicContact CE2-CZ 4.22Å; F393-F516 AromaticContact CZ-CD1 3.84Å; F393-F516 HydrophobicContact CZ-CD1 3.84Å; F393-F516 AromaticContact CZ-CE1 3.97Å; F393-F516 HydrophobicContact CZ-CE1 3.97Å; F497-F516 PolarHBondContact O-N 2.81Å; F516-L520 HydrophobicContact CB-CD2 4.24Å
517	H	76.8	Confident	79.7	Confident	60 Å²	60	35 Å²	35	28%	0.278	21%	0.208	S	C	.	.	S	Bend	trans	-148.5	145	172	-164.7	-89.9	0	0	0	110.4	F515 T519 L520 Q521	F515-H517 PolarHBondContact O-N 2.77Å; H517-T519 VanDerWaalsContact C-N 3.28Å; H517-T519 PolarHBondContact CE1-OG1 2.91Å; H517-T519 VanDerWaalsContact ND1-CB 3.26Å; H517-T519 WeakPolarHBondContact ND1-CB 3.49Å; H517-T519 PolarHBondContact ND1-N 3.07Å; H517-T519 VanDerWaalsContact ND1-N 3.11Å; H517-T519 PolarHBondContact ND1-OG1 2.97Å; H517-T519 PolarHBondContact O-N 2.77Å; H517-L520 HydrophobicContact CB-CB 4.26Å; H517-L520 WeakPolarHBondContact O-CA 3.37Å; H517-L520 WeakPolarHBondContact O-CB 3.34Å; H517-L520 PolarHBondContact O-N 2.82Å; H517-Q521 PolarHBondContact O-N 2.93Å
518	L	80.6	Confident	82	Confident	68 Å²	68	33.1 Å²	33.1	36%	0.356	18%	0.183	S	C	.	.	H	α-helix	trans	-60	-37.7	179.1	-179.3	56.6	0	0	0	112.7	M471 F476 L520 Q521 A522 H584	M471-L518 HydrophobicContact CE-CD1 4.24Å; F476-L518 HydrophobicContact CD1-CD1 3.34Å; F476-L518 HydrophobicContact CE1-CD1 3.34Å; F476-L518 HydrophobicContact CG-CD1 4.28Å; F476-L518 HydrophobicContact CZ-CD1 4.26Å; L518-L520 PolarHBondContact O-N 2.92Å; L518-Q521 WeakPolarHBondContact O-CB 3.48Å; L518-Q521 PolarHBondContact O-N 3.37Å; L518-A522 PolarHBondContact O-N 2.82Å; L518-H584 HydrophobicContact CD1-CB 3.87Å; L518-H584 HydrophobicContact CD2-CB 3.92Å; L518-H584 HydrophobicContact CG-CB 3.8Å
519	T	85.6	Confident	84.2	Confident	9 Å²	9	29.4 Å²	29.4	6%	0.055	14%	0.144	C	C	.	.	H	α-helix	trans	-62.6	-29	172.8	-47	0	0	0	0	112.8	L421 F425 H517 A522 F523 F587 F591	L421-T519 HydrophobicContact CD2-CG2 4.29Å; F425-T519 HydrophobicContact CE1-CG2 4.18Å; F425-T519 HydrophobicContact CE2-CG2 3.96Å; F425-T519 HydrophobicContact CZ-CG2 3.52Å; H517-T519 VanDerWaalsContact C-N 3.28Å; H517-T519 PolarHBondContact CE1-OG1 2.91Å; H517-T519 VanDerWaalsContact ND1-CB 3.26Å; H517-T519 WeakPolarHBondContact ND1-CB 3.49Å; H517-T519 PolarHBondContact ND1-N 3.07Å; H517-T519 VanDerWaalsContact ND1-N 3.11Å; H517-T519 PolarHBondContact ND1-OG1 2.97Å; H517-T519 PolarHBondContact O-N 2.77Å; T519-A522 WeakPolarHBondContact O-CB 3.46Å; T519-A522 PolarHBondContact O-N 3.36Å; T519-F523 WeakPolarHBondContact O-CB 3.43Å; T519-F523 PolarHBondContact O-N 3.24Å; T519-F587 HydrophobicContact CG2-CB 4.48Å; T519-F587 HydrophobicContact CG2-CD1 3.87Å; T519-F587 HydrophobicContact CG2-CE1 4.19Å; T519-F587 HydrophobicContact CG2-CG 4.08Å; T519-F591 HydrophobicContact CG2-CE2 3.56Å; T519-F591 HydrophobicContact CG2-CZ 3.57Å; T519-F591 WeakPolarHBondContact O-CE2 3.45Å
520	L	87.4	Confident	86.1	Confident	3 Å²	3	21.9 Å²	21.9	2%	0.016	10%	0.104	C	C	.	.	H	α-helix	trans	-72.3	-41.3	175.7	-174.5	67.8	0	0	0	111.1	F425 F497 F515 F516 H517 L518 A522 F523 F524	F425-L520 HydrophobicContact CD1-CD1 3.8Å; F425-L520 HydrophobicContact CE1-CB 4.05Å; F425-L520 HydrophobicContact CE1-CD1 3.9Å; F497-L520 HydrophobicContact CB-CD2 4.19Å; F497-L520 HydrophobicContact CD1-CD1 4.4Å; F497-L520 HydrophobicContact CD1-CD2 3.97Å; F515-L520 HydrophobicContact CD1-CD2 4.48Å; F515-L520 HydrophobicContact CD1-CG 4.47Å; F516-L520 HydrophobicContact CB-CD2 4.24Å; H517-L520 HydrophobicContact CB-CB 4.26Å; H517-L520 WeakPolarHBondContact O-CA 3.37Å; H517-L520 WeakPolarHBondContact O-CB 3.34Å; H517-L520 PolarHBondContact O-N 2.82Å; L518-L520 PolarHBondContact O-N 2.92Å; L520-A522 VanDerWaalsContact C-N 3.28Å; L520-A522 PolarHBondContact O-N 3.47Å; L520-F523 PolarHBondContact O-N 3.02Å; L520-F524 HydrophobicContact CD1-CD2 4.06Å; L520-F524 HydrophobicContact CD1-CE2 3.52Å; L520-F524 HydrophobicContact CD1-CZ 4.18Å; L520-F524 HydrophobicContact CD2-CE2 4.07Å; L520-F524 HydrophobicContact CG-CD2 3.85Å; L520-F524 HydrophobicContact CG-CE2 3.57Å; L520-F524 VanDerWaalsContact O-CD2 3.28Å; L520-F524 WeakPolarHBondContact O-CD2 3.39Å; L520-F524 PolarHBondContact O-N 3.24Å
521	Q	90.7	Very high	87.5	Confident	2 Å²	2	17.5 Å²	17.5	1%	0.009	8%	0.084	C	C	.	.	H	α-helix	trans	-56.6	-47.3	168.9	-170.7	176.6	-28.1	0	0	109.9	A467 M471 L475 F515 H517 L518 F523 F524 T525	A467-Q521 HydrophobicContact CB-CG 3.89Å; M471-Q521 HydrophobicContact CE-CB 3.95Å; M471-Q521 HydrophobicContact CE-CG 3.78Å; M471-Q521 HydrophobicContact CG-CG 4.4Å; M471-Q521 HydrophobicContact SD-CG 4.35Å; L475-Q521 PolarHBondContact O-NE2 3.32Å; L475-Q521 VanDerWaalsContact O-NE2 3.1Å; F515-Q521 HydrophobicContact CB-CB 3.93Å; F515-Q521 HydrophobicContact CD1-CB 4.35Å; F515-Q521 HydrophobicContact CD2-CB 3.63Å; F515-Q521 HydrophobicContact CD2-CG 3.52Å; F515-Q521 HydrophobicContact CE2-CB 4.26Å; F515-Q521 HydrophobicContact CE2-CG 3.77Å; F515-Q521 HydrophobicContact CG-CB 3.7Å; F515-Q521 HydrophobicContact CG-CG 4.12Å; H517-Q521 PolarHBondContact O-N 2.93Å; L518-Q521 WeakPolarHBondContact O-CB 3.48Å; L518-Q521 PolarHBondContact O-N 3.37Å; Q521-F523 VanDerWaalsContact C-N 3.3Å; Q521-F523 PolarHBondContact O-N 3.35Å; Q521-F524 PolarHBondContact O-N 3.25Å; Q521-T525 PolarHBondContact O-N 3.35Å; Q521-T525 PolarHBondContact O-OG1 2.76Å
522	A	92.8	Very high	88.4	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-59.6	-40.2	179.1	0	0	0	0	0	112.9	M471 L518 T519 L520 A526 H584 F587 T588 F591	M471-A522 HydrophobicContact CE-CB 3.61Å; M471-A522 VanDerWaalsContact CE-N 3.27Å; L518-A522 PolarHBondContact O-N 2.82Å; T519-A522 WeakPolarHBondContact O-CB 3.46Å; T519-A522 PolarHBondContact O-N 3.36Å; L520-A522 VanDerWaalsContact C-N 3.28Å; L520-A522 PolarHBondContact O-N 3.47Å; A522-A526 PolarHBondContact O-N 3.42Å; A522-A526 VanDerWaalsContact O-N 3.12Å; A522-H584 WeakPolarHBondContact CB-O 3.36Å; A522-F587 HydrophobicContact CB-CB 3.71Å; A522-T588 VanDerWaalsContact CA-OG1 3.31Å; A522-T588 WeakPolarHBondContact CA-OG1 3.3Å; A522-T588 WeakPolarHBondContact CB-OG1 3.27Å; A522-T588 PolarHBondContact O-OG1 2.79Å; A522-T588 VanDerWaalsContact O-OG1 3.13Å; A522-F591 HydrophobicContact CB-CD2 4.41Å; A522-F591 HydrophobicContact CB-CE2 4.38Å
523	F	94.9	Very high	88.8	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.1	-49.4	174.3	172.9	-99	0	0	0	111.8	T422 F425 L426 T429 T519 L520 Q521 T525 A526 F527 F591 L595	T422-F523 HydrophobicContact CG2-CE2 4.48Å; F425-F523 HydrophobicContact CB-CB 4.43Å; F425-F523 HydrophobicContact CB-CD1 4.22Å; F425-F523 HydrophobicContact CB-CD2 3.5Å; F425-F523 VanDerWaalsContact CB-CD2 3.5Å; F425-F523 HydrophobicContact CB-CE1 4.39Å; F425-F523 HydrophobicContact CB-CE2 3.68Å; F425-F523 HydrophobicContact CB-CG 3.78Å; F425-F523 HydrophobicContact CB-CZ 4.13Å; F425-F523 HydrophobicContact CD1-CB 3.81Å; F425-F523 HydrophobicContact CD1-CD1 4.35Å; F425-F523 HydrophobicContact CD1-CD2 4.46Å; F425-F523 AromaticContact CD1-CG 3.96Å; F425-F523 HydrophobicContact CD1-CG 3.96Å; F425-F523 HydrophobicContact CE1-CB 4.48Å; F425-F523 HydrophobicContact CG-CB 4.31Å; F425-F523 HydrophobicContact CG-CD2 4.23Å; F425-F523 HydrophobicContact CG-CG 4.18Å; L426-F523 HydrophobicContact CD2-CZ 4.08Å; L426-F523 HydrophobicContact CG-CE2 4.44Å; L426-F523 HydrophobicContact CG-CZ 4.35Å; T429-F523 WeakPolarHBondContact OG1-CE1 3.17Å; T519-F523 WeakPolarHBondContact O-CB 3.43Å; T519-F523 PolarHBondContact O-N 3.24Å; L520-F523 PolarHBondContact O-N 3.02Å; Q521-F523 VanDerWaalsContact C-N 3.3Å; Q521-F523 PolarHBondContact O-N 3.35Å; F523-T525 VanDerWaalsContact C-N 3.34Å; F523-T525 PolarHBondContact O-N 3.42Å; F523-A526 WeakPolarHBondContact O-CB 3.48Å; F523-A526 PolarHBondContact O-N 2.96Å; F523-A526 VanDerWaalsContact O-N 3.16Å; F523-F527 HydrophobicContact CE1-CD2 4.34Å; F523-F527 AromaticContact CZ-CD2 3.93Å; F523-F527 HydrophobicContact CZ-CD2 3.93Å; F523-F527 HydrophobicContact CZ-CE2 4.46Å; F523-F527 WeakPolarHBondContact O-CB 3.05Å; F523-F527 PolarHBondContact O-N 2.95Å; F523-F591 VanDerWaalsContact CA-CD2 3.44Å; F523-F591 HydrophobicContact CB-CD1 4.44Å; F523-F591 HydrophobicContact CB-CD2 3.77Å; F523-F591 HydrophobicContact CB-CE1 4.41Å; F523-F591 HydrophobicContact CB-CE2 3.75Å; F523-F591 HydrophobicContact CB-CG 4.14Å; F523-F591 HydrophobicContact CB-CZ 4.08Å; F523-F591 HydrophobicContact CD2-CB 4.27Å; F523-F591 AromaticContact CD2-CD1 3.65Å; F523-F591 HydrophobicContact CD2-CD1 3.65Å; F523-F591 HydrophobicContact CD2-CD2 4.37Å; F523-F591 AromaticContact CD2-CE1 3.99Å; F523-F591 HydrophobicContact CD2-CE1 3.99Å; F523-F591 AromaticContact CD2-CG 3.86Å; F523-F591 HydrophobicContact CD2-CG 3.86Å; F523-F591 HydrophobicContact CD2-CZ 4.49Å; F523-F591 HydrophobicContact CE2-CD1 4.49Å; F523-L595 HydrophobicContact CE2-CD2 4.3Å
524	F	95.7	Very high	89.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67.4	-32.9	-179.6	-76.5	-56.1	0	0	0	113.1	T429 L460 L463 G464 A467 F497 F515 L520 Q521 F527 F528	T429-F524 HydrophobicContact CG2-CE1 4.34Å; L460-F524 HydrophobicContact CD2-CD1 4.47Å; L460-F524 HydrophobicContact CD2-CE1 3.68Å; L463-F524 HydrophobicContact CD1-CZ 4.33Å; G464-F524 WeakPolarHBondContact CA-O 3.43Å; A467-F524 HydrophobicContact CB-CB 3.76Å; F497-F524 HydrophobicContact CB-CE2 4.06Å; F497-F524 AromaticContact CD1-CE2 3.69Å; F497-F524 HydrophobicContact CD1-CE2 3.69Å; F497-F524 AromaticContact CD1-CZ 3.66Å; F497-F524 HydrophobicContact CD1-CZ 3.66Å; F497-F524 HydrophobicContact CD2-CE2 4.45Å; F497-F524 HydrophobicContact CD2-CZ 4.14Å; F497-F524 HydrophobicContact CE1-CE2 4.13Å; F497-F524 AromaticContact CE1-CZ 3.64Å; F497-F524 HydrophobicContact CE1-CZ 3.64Å; F497-F524 HydrophobicContact CE2-CZ 4.12Å; F497-F524 AromaticContact CG-CE2 3.83Å; F497-F524 HydrophobicContact CG-CE2 3.83Å; F497-F524 AromaticContact CG-CZ 3.88Å; F497-F524 HydrophobicContact CG-CZ 3.88Å; F497-F524 AromaticContact CZ-CZ 3.84Å; F497-F524 HydrophobicContact CZ-CZ 3.84Å; F515-F524 HydrophobicContact CD1-CD2 4.06Å; F515-F524 HydrophobicContact CE1-CB 4.48Å; F515-F524 AromaticContact CE1-CD2 3.67Å; F515-F524 HydrophobicContact CE1-CD2 3.67Å; F515-F524 HydrophobicContact CE1-CE2 4.36Å; F515-F524 HydrophobicContact CE1-CG 4.43Å; L520-F524 HydrophobicContact CD1-CD2 4.06Å; L520-F524 HydrophobicContact CD1-CE2 3.52Å; L520-F524 HydrophobicContact CD1-CZ 4.18Å; L520-F524 HydrophobicContact CD2-CE2 4.07Å; L520-F524 HydrophobicContact CG-CD2 3.85Å; L520-F524 HydrophobicContact CG-CE2 3.57Å; L520-F524 VanDerWaalsContact O-CD2 3.28Å; L520-F524 WeakPolarHBondContact O-CD2 3.39Å; L520-F524 PolarHBondContact O-N 3.24Å; Q521-F524 PolarHBondContact O-N 3.25Å; F524-F527 PolarHBondContact O-N 3.09Å; F524-F528 WeakPolarHBondContact O-CB 3.36Å; F524-F528 PolarHBondContact O-N 2.54Å
525	T	95.8	Very high	89.6	Confident	0 Å²	0	27 Å²	27	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.2	-49.4	168.6	-57.1	0	0	0	0	111	A467 H468 M471 Q521 F523 F527 F528 L529 F543 T588	A467-T525 WeakPolarHBondContact CB-OG1 3.39Å; A467-T525 PolarHBondContact O-OG1 3.09Å; A467-T525 VanDerWaalsContact O-OG1 3.11Å; H468-T525 HydrophobicContact CB-CG2 4.31Å; H468-T525 PolarHBondContact N-OG1 3.34Å; M471-T525 HydrophobicContact CB-CG2 4.14Å; M471-T525 HydrophobicContact CG-CG2 4Å; M471-T525 WeakPolarHBondContact CG-OG1 2.94Å; Q521-T525 PolarHBondContact O-N 3.35Å; Q521-T525 PolarHBondContact O-OG1 2.76Å; F523-T525 VanDerWaalsContact C-N 3.34Å; F523-T525 PolarHBondContact O-N 3.42Å; T525-F527 VanDerWaalsContact C-N 3.3Å; T525-F527 PolarHBondContact O-N 2.89Å; T525-F528 PolarHBondContact O-N 3.45Å; T525-L529 HydrophobicContact CG2-CD1 4.42Å; T525-L529 VanDerWaalsContact O-CG 3.31Å; T525-L529 WeakPolarHBondContact O-CG 3.37Å; T525-L529 PolarHBondContact O-N 3.32Å; T525-F543 HydrophobicContact CG2-CD2 4.36Å; T525-F543 HydrophobicContact CG2-CE2 3.56Å; T525-F543 HydrophobicContact CG2-CZ 4.04Å; T525-T588 HydrophobicContact CG2-CG2 3.78Å
526	A	96.6	Very high	89.9	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.6	-39.5	177.5	0	0	0	0	0	112	A522 F523 L529 V530 T588 F591 L592 L595	A522-A526 PolarHBondContact O-N 3.42Å; A522-A526 VanDerWaalsContact O-N 3.12Å; F523-A526 WeakPolarHBondContact O-CB 3.48Å; F523-A526 PolarHBondContact O-N 2.96Å; F523-A526 VanDerWaalsContact O-N 3.16Å; A526-L529 PolarHBondContact O-N 3.19Å; A526-V530 VanDerWaalsContact O-CG2 3.27Å; A526-V530 WeakPolarHBondContact O-CG2 3.34Å; A526-V530 PolarHBondContact O-N 3.02Å; A526-V530 VanDerWaalsContact O-N 3.1Å; A526-T588 HydrophobicContact CB-CG2 4.11Å; A526-T588 WeakPolarHBondContact CB-O 3.49Å; A526-F591 HydrophobicContact CB-CB 3.59Å; A526-L592 HydrophobicContact CB-CB 4.29Å; A526-L595 HydrophobicContact CB-CD1 4.13Å
527	F	95.1	Very high	90.9	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-63.6	-45	177.9	-157.2	-100.4	0	0	0	111.6	L426 L453 L460 F523 F524 T525 V530 L531 L595 L604 L607	L426-F527 HydrophobicContact CD2-CE2 4.07Å; L453-F527 HydrophobicContact CD2-CZ 4.4Å; L460-F527 HydrophobicContact CB-CD1 4.28Å; L460-F527 HydrophobicContact CB-CE1 3.94Å; L460-F527 HydrophobicContact CD1-CE1 3.66Å; L460-F527 HydrophobicContact CD1-CZ 4.1Å; L460-F527 HydrophobicContact CD2-CE1 4.45Å; L460-F527 HydrophobicContact CG-CE1 4.24Å; F523-F527 HydrophobicContact CE1-CD2 4.34Å; F523-F527 AromaticContact CZ-CD2 3.93Å; F523-F527 HydrophobicContact CZ-CD2 3.93Å; F523-F527 HydrophobicContact CZ-CE2 4.46Å; F523-F527 WeakPolarHBondContact O-CB 3.05Å; F523-F527 PolarHBondContact O-N 2.95Å; F524-F527 PolarHBondContact O-N 3.09Å; T525-F527 VanDerWaalsContact C-N 3.3Å; T525-F527 PolarHBondContact O-N 2.89Å; F527-V530 PolarHBondContact O-N 2.85Å; F527-L531 HydrophobicContact CD1-CD1 3.48Å; F527-L531 VanDerWaalsContact CD1-CD1 3.48Å; F527-L531 HydrophobicContact CD1-CG 3.74Å; F527-L531 HydrophobicContact CE1-CD1 3.24Å; F527-L531 HydrophobicContact CE1-CD2 4.12Å; F527-L531 HydrophobicContact CE1-CG 3.65Å; F527-L531 HydrophobicContact CZ-CD1 4.25Å; F527-L531 HydrophobicContact CZ-CD2 4.39Å; F527-L531 HydrophobicContact CZ-CG 4.35Å; F527-L531 WeakPolarHBondContact O-CB 3.49Å; F527-L531 WeakPolarHBondContact O-CG 3.49Å; F527-L531 PolarHBondContact O-N 2.75Å; F527-L595 HydrophobicContact CB-CD1 4.18Å; F527-L595 HydrophobicContact CD2-CD1 3.85Å; F527-L595 HydrophobicContact CD2-CD2 3.73Å; F527-L595 HydrophobicContact CD2-CG 4.47Å; F527-L595 HydrophobicContact CE2-CD2 4Å; F527-L595 HydrophobicContact CG-CD1 4.47Å; F527-L604 HydrophobicContact CE2-CD2 4.37Å; F527-L607 HydrophobicContact CZ-CD1 4.22Å
528	F	95.1	Very high	91.5	Very high	18 Å²	18	33.7 Å²	33.7	8%	0.079	17%	0.167	C	C	.	.	H	α-helix	trans	-58.1	-49.9	173.1	176.8	-107.9	0	0	0	112.3	Q465 H468 F524 T525 V530 L531 D532 V535	Q465-F528 HydrophobicContact CB-CE2 4.46Å; Q465-F528 HydrophobicContact CG-CD2 3.77Å; Q465-F528 HydrophobicContact CG-CE2 3.27Å; Q465-F528 HydrophobicContact CG-CZ 3.78Å; H468-F528 HydrophobicContact CB-CD1 3.71Å; H468-F528 HydrophobicContact CB-CE1 4.17Å; H468-F528 HydrophobicContact CB-CG 4.43Å; H468-F528 AromaticContact CD2-CD1 3.82Å; H468-F528 AromaticContact CG-CD1 3.75Å; H468-F528 AromaticContact CG-CE1 3.95Å; F524-F528 WeakPolarHBondContact O-CB 3.36Å; F524-F528 PolarHBondContact O-N 2.54Å; T525-F528 PolarHBondContact O-N 3.45Å; F528-V530 PolarHBondContact O-N 3.5Å; F528-V530 VanDerWaalsContact O-N 3.13Å; F528-L531 PolarHBondContact O-N 2.96Å; F528-L531 VanDerWaalsContact O-N 3.08Å; F528-D532 HydrophobicContact CD2-CB 4.28Å; F528-D532 HydrophobicContact CE2-CB 3.76Å; F528-D532 HydrophobicContact CZ-CB 4.02Å; F528-D532 PolarHBondContact O-N 3.25Å; F528-V535 HydrophobicContact CE1-CG2 4.21Å
529	L	95.2	Very high	92	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-58.2	-28.3	178.4	-72.1	176	0	0	0	112.5	H468 T525 A526 V535 E539 L540 F543 T588 L592 K616	H468-L529 WeakPolarHBondContact NE2-CD2 3.38Å; T525-L529 HydrophobicContact CG2-CD1 4.42Å; T525-L529 VanDerWaalsContact O-CG 3.31Å; T525-L529 WeakPolarHBondContact O-CG 3.37Å; T525-L529 PolarHBondContact O-N 3.32Å; A526-L529 PolarHBondContact O-N 3.19Å; L529-V535 HydrophobicContact CD2-CG1 3.76Å; L529-E539 HydrophobicContact CD2-CG 4.28Å; L529-L540 HydrophobicContact CB-CD1 4.11Å; L529-F543 HydrophobicContact CD1-CD2 3.92Å; L529-F543 HydrophobicContact CD1-CE2 3.9Å; L529-T588 HydrophobicContact CD1-CG2 4.41Å; L529-L592 HydrophobicContact CB-CD1 4.3Å; L529-K616 WeakPolarHBondContact O-CE 3.34Å; L529-K616 PolarHBondContact O-NZ 3.41Å
530	V	94.5	Very high	92.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-81.3	-47	173.1	175.4	0	0	0	0	111.7	A526 F527 F528 L592 L595 L596 L604 L613 K616	A526-V530 VanDerWaalsContact O-CG2 3.27Å; A526-V530 WeakPolarHBondContact O-CG2 3.34Å; A526-V530 PolarHBondContact O-N 3.02Å; A526-V530 VanDerWaalsContact O-N 3.1Å; F527-V530 PolarHBondContact O-N 2.85Å; F528-V530 PolarHBondContact O-N 3.5Å; F528-V530 VanDerWaalsContact O-N 3.13Å; V530-L592 HydrophobicContact CG2-CD1 3.52Å; V530-L595 HydrophobicContact CG2-CB 3.99Å; V530-L595 HydrophobicContact CG2-CD1 4.19Å; V530-L596 HydrophobicContact CG1-CD2 4.06Å; V530-L596 HydrophobicContact CG2-CD2 4.09Å; V530-L596 HydrophobicContact CG2-CG 3.99Å; V530-L604 HydrophobicContact CG1-CD1 3.81Å; V530-L613 HydrophobicContact CG1-CD2 3.91Å; V530-K616 PolarHBondContact O-NZ 3.28Å
531	L	91.9	Very high	92.5	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.016	16%	0.164	C	C	.	.	H	α-helix	trans	-67.9	-47.4	-172.5	-80.5	-164	0	0	0	114.2	L460 F527 F528 D533 L607 V608	L460-L531 HydrophobicContact CB-CD1 4.34Å; F527-L531 HydrophobicContact CD1-CD1 3.48Å; F527-L531 VanDerWaalsContact CD1-CD1 3.48Å; F527-L531 HydrophobicContact CD1-CG 3.74Å; F527-L531 HydrophobicContact CE1-CD1 3.24Å; F527-L531 HydrophobicContact CE1-CD2 4.12Å; F527-L531 HydrophobicContact CE1-CG 3.65Å; F527-L531 HydrophobicContact CZ-CD1 4.25Å; F527-L531 HydrophobicContact CZ-CD2 4.39Å; F527-L531 HydrophobicContact CZ-CG 4.35Å; F527-L531 WeakPolarHBondContact O-CB 3.49Å; F527-L531 WeakPolarHBondContact O-CG 3.49Å; F527-L531 PolarHBondContact O-N 2.75Å; F528-L531 PolarHBondContact O-N 2.96Å; F528-L531 VanDerWaalsContact O-N 3.08Å; L531-D533 PolarHBondContact O-N 3.25Å; L531-L607 HydrophobicContact CD2-CB 3.63Å; L531-L607 HydrophobicContact CD2-CD1 3.94Å; L531-L607 HydrophobicContact CD2-CG 4.42Å; L531-V608 HydrophobicContact CD2-CG2 3.6Å
532	D	89.7	Confident	92.4	Very high	34 Å²	34	38 Å²	38	18%	0.182	18%	0.181	C	C	.	.			trans	-77.1	115.6	-174	-171.5	-15.2	0	0	0	110.1	F528 R534 V535 K616	F528-D532 HydrophobicContact CD2-CB 4.28Å; F528-D532 HydrophobicContact CE2-CB 3.76Å; F528-D532 HydrophobicContact CZ-CB 4.02Å; F528-D532 PolarHBondContact O-N 3.25Å; D532-R534 PolarHBondContact O-N 3.47Å; D532-R534 VanDerWaalsContact OD1-CB 3.23Å; D532-R534 WeakPolarHBondContact OD1-CB 3.14Å; D532-R534 WeakPolarHBondContact OD1-CG 3.48Å; D532-R534 PolarHBondContact OD1-N 2.89Å; D532-V535 HydrophobicContact CB-CG2 3.84Å; D532-V535 WeakPolarHBondContact O-CB 3.45Å; D532-V535 PolarHBondContact O-N 2.88Å; D532-K616 PolarHBondContact O-NZ 3.48Å
533	D	86.3	Confident	92.1	Very high	81 Å²	81	38.5 Å²	38.5	43%	0.433	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-22.5	-178.9	-168.3	30.3	0	0	0	112.7	L531 V535 A612 R615	L531-D533 PolarHBondContact O-N 3.25Å; D533-V535 PolarHBondContact O-N 3.24Å; D533-A612 WeakPolarHBondContact OD1-CB 3.24Å; D533-R615 PolarHBondContact O-NH2 3.33Å; D533-R615 IonicContact OD1-NH2 3.96Å; D533-R615 PolarHBondContact OD1-NH2 3.17Å
534	R	89.1	Confident	91.5	Very high	234 Å²	234	38.6 Å²	38.6	88%	0.883	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.1	175.3	-58.6	172.4	-179.7	179.8	1	111.9	D532 G536	D532-R534 PolarHBondContact O-N 3.47Å; D532-R534 VanDerWaalsContact OD1-CB 3.23Å; D532-R534 WeakPolarHBondContact OD1-CB 3.14Å; D532-R534 WeakPolarHBondContact OD1-CG 3.48Å; D532-R534 PolarHBondContact OD1-N 2.89Å; R534-G536 PolarHBondContact O-N 3.32Å; R534-G536 VanDerWaalsContact O-N 3.11Å
535	V	91.3	Very high	90.1	Very high	10 Å²	10	44.4 Å²	44.4	6%	0.061	21%	0.21	C	C	.	.			trans	-66.4	111.6	177.7	177.3	0	0	0	0	109.8	F528 L529 D532 D533 E539 L540	F528-V535 HydrophobicContact CE1-CG2 4.21Å; L529-V535 HydrophobicContact CD2-CG1 3.76Å; D532-V535 HydrophobicContact CB-CG2 3.84Å; D532-V535 WeakPolarHBondContact O-CB 3.45Å; D532-V535 PolarHBondContact O-N 2.88Å; D533-V535 PolarHBondContact O-N 3.24Å; V535-E539 HydrophobicContact CG1-CB 4Å; V535-E539 HydrophobicContact CG1-CG 4.14Å; V535-L540 HydrophobicContact CG1-CB 4.34Å
536	G	91.8	Very high	88.4	Confident	31 Å²	31	47.5 Å²	47.5	32%	0.32	23%	0.225	S	C	.	.			trans	-68.2	167.7	173.5	0	0	0	0	0	112.6	R534 Q538 E539 L540	R534-G536 PolarHBondContact O-N 3.32Å; R534-G536 VanDerWaalsContact O-N 3.11Å; G536-Q538 VanDerWaalsContact C-N 3.28Å; G536-Q538 PolarHBondContact O-N 2.95Å; G536-E539 PolarHBondContact O-N 3.47Å; G536-L540 WeakPolarHBondContact O-CB 3.46Å; G536-L540 PolarHBondContact O-N 3.07Å
537	T	91.7	Very high	86.7	Confident	57 Å²	57	48 Å²	48	35%	0.35	23%	0.227	S	C	.	.	H	α-helix	trans	-69	-25.9	178.8	49.4	0	0	0	0	113.2	L541 R615 A619	T537-L541 WeakPolarHBondContact O-CD1 3.49Å; T537-L541 VanDerWaalsContact O-CG 3.24Å; T537-L541 WeakPolarHBondContact O-CG 3.47Å; T537-L541 PolarHBondContact O-N 2.91Å; T537-R615 HydrophobicContact CG2-CG 4.05Å; T537-A619 HydrophobicContact CG2-CB 3.55Å
538	Q	90.4	Very high	84.6	Confident	156 Å²	156	55.2 Å²	55.2	73%	0.729	26%	0.262	S	S	*	.	H	α-helix	trans	-69.7	-48.1	175.1	-176.6	176.5	-1	0	0	110.7	G536 L541 R542	G536-Q538 VanDerWaalsContact C-N 3.28Å; G536-Q538 PolarHBondContact O-N 2.95Å; Q538-L541 CarbonylContact O-C 3.55Å; Q538-L541 PolarHBondContact O-N 3.34Å; Q538-L541 VanDerWaalsContact O-N 3.16Å; Q538-R542 PolarHBondContact O-N 2.89Å; Q538-R542 VanDerWaalsContact O-N 3.16Å
539	E	91	Very high	82.2	Confident	52 Å²	52	56.4 Å²	56.4	24%	0.243	27%	0.272	C	S	.	.	H	α-helix	trans	-64.3	-42.1	177.9	-169	58.9	-152.5	0	0	111.9	H468 L529 V535 G536 L541 R542	H468-E539 IonicContact CE1-OE1 2.85Å; H468-E539 PolarHBondContact CE1-OE1 3.11Å; H468-E539 IonicContact NE2-OE1 3.85Å; H468-E539 PolarHBondContact NE2-OE1 2.91Å; L529-E539 HydrophobicContact CD2-CG 4.28Å; V535-E539 HydrophobicContact CG1-CB 4Å; V535-E539 HydrophobicContact CG1-CG 4.14Å; G536-E539 PolarHBondContact O-N 3.47Å; E539-L541 PolarHBondContact O-N 3.12Å; E539-L541 VanDerWaalsContact O-N 3.09Å; E539-R542 WeakPolarHBondContact O-CB 3.33Å; E539-R542 PolarHBondContact O-N 3.3Å; E539-R542 VanDerWaalsContact O-N 3.09Å; E539-R542 WeakPolarHBondContact OE1-CD 3.48Å; E539-R542 IonicContact OE1-CZ 3.17Å; E539-R542 IonicContact OE1-NE 3.8Å; E539-R542 IonicContact OE1-NH1 3.16Å; E539-R542 PolarHBondContact OE1-NH1 2.95Å; E539-R542 IonicContact OE2-NH1 2.75Å; E539-R542 PolarHBondContact OE2-NH1 3.36Å
540	L	92.6	Very high	79.7	Confident	1 Å²	1	62 Å²	62	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-50.2	-36.7	172.7	-177.7	73.1	0	0	0	113.2	L529 V535 G536 L592 L596 K616	L529-L540 HydrophobicContact CB-CD1 4.11Å; V535-L540 HydrophobicContact CG1-CB 4.34Å; G536-L540 WeakPolarHBondContact O-CB 3.46Å; G536-L540 PolarHBondContact O-N 3.07Å; L540-L592 HydrophobicContact CD1-CD1 3.59Å; L540-L592 HydrophobicContact CD1-CD2 4.04Å; L540-L592 HydrophobicContact CD1-CG 4.37Å; L540-L592 HydrophobicContact CG-CD1 4.5Å; L540-L592 HydrophobicContact CG-CD2 4.08Å; L540-L592 WeakPolarHBondContact O-CD2 3.32Å; L540-L596 HydrophobicContact CD1-CD1 4.42Å; L540-L596 HydrophobicContact CD2-CD1 4.37Å; L540-K616 HydrophobicContact CD1-CB 4.47Å; L540-K616 HydrophobicContact CD1-CD 4.07Å; L540-K616 HydrophobicContact CD1-CG 4.39Å; L540-K616 HydrophobicContact CD2-CB 3.55Å; L540-K616 HydrophobicContact CD2-CD 4.44Å; L540-K616 HydrophobicContact CD2-CG 3.85Å; L540-K616 WeakPolarHBondContact CD2-O 3.35Å
541	L	91.4	Very high	76.9	Confident	22 Å²	22	67 Å²	67	12%	0.115	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	7.7	-173.3	-59.2	174.8	0	0	0	113	T537 Q538 E539 F543 F544 A619 L620 H623	T537-L541 WeakPolarHBondContact O-CD1 3.49Å; T537-L541 VanDerWaalsContact O-CG 3.24Å; T537-L541 WeakPolarHBondContact O-CG 3.47Å; T537-L541 PolarHBondContact O-N 2.91Å; Q538-L541 CarbonylContact O-C 3.55Å; Q538-L541 PolarHBondContact O-N 3.34Å; Q538-L541 VanDerWaalsContact O-N 3.16Å; E539-L541 PolarHBondContact O-N 3.12Å; E539-L541 VanDerWaalsContact O-N 3.09Å; L541-F543 VanDerWaalsContact C-N 3.31Å; L541-F543 PolarHBondContact O-N 3.44Å; L541-F544 HydrophobicContact CB-CD2 4.31Å; L541-F544 HydrophobicContact CD2-CD2 3.97Å; L541-F544 HydrophobicContact CD2-CE2 4.02Å; L541-F544 WeakPolarHBondContact O-CB 3.42Å; L541-F544 PolarHBondContact O-N 3.1Å; L541-A619 HydrophobicContact CD1-CB 4.32Å; L541-L620 HydrophobicContact CD2-CB 4.21Å; L541-L620 HydrophobicContact CD2-CD1 3.73Å; L541-H623 HydrophobicContact CD1-CB 3.71Å; L541-H623 HydrophobicContact CD2-CB 4.19Å
542	R	88.2	Confident	74.1	Confident	97 Å²	97	70.1 Å²	70.1	37%	0.366	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-56.9	-43.9	-173.3	-175.6	170.7	-176.3	174.6	-8.5	112.7	E472 Q538 E539 F544 Q545	E472-R542 IonicContact OE1-CZ 3.51Å; E472-R542 IonicContact OE1-NH1 2.76Å; E472-R542 PolarHBondContact OE1-NH1 2.75Å; E472-R542 IonicContact OE1-NH2 3.91Å; Q538-R542 PolarHBondContact O-N 2.89Å; Q538-R542 VanDerWaalsContact O-N 3.16Å; E539-R542 WeakPolarHBondContact O-CB 3.33Å; E539-R542 PolarHBondContact O-N 3.3Å; E539-R542 VanDerWaalsContact O-N 3.09Å; E539-R542 WeakPolarHBondContact OE1-CD 3.48Å; E539-R542 IonicContact OE1-CZ 3.17Å; E539-R542 IonicContact OE1-NE 3.8Å; E539-R542 IonicContact OE1-NH1 3.16Å; E539-R542 PolarHBondContact OE1-NH1 2.95Å; E539-R542 IonicContact OE2-NH1 2.75Å; E539-R542 PolarHBondContact OE2-NH1 3.36Å; R542-F544 PolarHBondContact O-N 3.39Å; R542-Q545 WeakPolarHBondContact O-CB 3.05Å; R542-Q545 WeakPolarHBondContact O-CG 3.46Å; R542-Q545 PolarHBondContact O-N 3.27Å
543	F	85	Confident	71.2	Confident	11 Å²	11	73 Å²	73	5%	0.048	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-74.1	-4.9	-178.9	-57.4	-64.2	0	0	0	114.2	M471 E472 T525 L529 L541 F585 T588 N589	M471-F543 HydrophobicContact CB-CE1 4.03Å; M471-F543 HydrophobicContact CB-CZ 3.86Å; E472-F543 HydrophobicContact CG-CZ 4.37Å; T525-F543 HydrophobicContact CG2-CD2 4.36Å; T525-F543 HydrophobicContact CG2-CE2 3.56Å; T525-F543 HydrophobicContact CG2-CZ 4.04Å; L529-F543 HydrophobicContact CD1-CD2 3.92Å; L529-F543 HydrophobicContact CD1-CE2 3.9Å; L541-F543 VanDerWaalsContact C-N 3.31Å; L541-F543 PolarHBondContact O-N 3.44Å; F543-F585 HydrophobicContact CB-CB 4.43Å; F543-F585 AromaticContact CD1-CD1 3.43Å; F543-F585 HydrophobicContact CD1-CD1 3.43Å; F543-F585 VanDerWaalsContact CD1-CD1 3.43Å; F543-F585 AromaticContact CD1-CE1 3.73Å; F543-F585 HydrophobicContact CD1-CE1 3.73Å; F543-F585 HydrophobicContact CD1-CG 4.2Å; F543-F585 AromaticContact CE1-CD1 3.89Å; F543-F585 HydrophobicContact CE1-CD1 3.89Å; F543-F585 AromaticContact CE1-CE1 3.75Å; F543-F585 HydrophobicContact CE1-CE1 3.75Å; F543-F585 HydrophobicContact CG-CD1 4.25Å; F543-T588 HydrophobicContact CD2-CG2 3.75Å; F543-T588 HydrophobicContact CE2-CG2 4.28Å; F543-T588 HydrophobicContact CG-CG2 4.37Å; F543-N589 WeakPolarHBondContact CB-OD1 3.29Å; F543-N589 PolarHBondContact O-ND2 2.95Å
544	F	82.9	Confident	68.4	Low	2 Å²	2	73 Å²	73	1%	0.009	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-85.8	-14.4	171.6	-70.8	-91.3	0	0	0	113.9	L541 R542 E546 W547 N589 L592 L620 H623 L624	L541-F544 HydrophobicContact CB-CD2 4.31Å; L541-F544 HydrophobicContact CD2-CD2 3.97Å; L541-F544 HydrophobicContact CD2-CE2 4.02Å; L541-F544 WeakPolarHBondContact O-CB 3.42Å; L541-F544 PolarHBondContact O-N 3.1Å; R542-F544 PolarHBondContact O-N 3.39Å; F544-E546 PolarHBondContact O-N 3.38Å; F544-W547 HydrophobicContact CD1-CD2 4.07Å; F544-W547 AromaticContact CD1-CE2 3.93Å; F544-W547 AromaticContact CD1-CE3 3.83Å; F544-W547 HydrophobicContact CD1-CE3 3.83Å; F544-W547 AromaticContact CD1-CH2 3.45Å; F544-W547 HydrophobicContact CD1-CH2 3.45Å; F544-W547 VanDerWaalsContact CD1-CH2 3.45Å; F544-W547 AromaticContact CD1-CZ2 3.64Å; F544-W547 HydrophobicContact CD1-CZ2 3.64Å; F544-W547 AromaticContact CD1-CZ3 3.54Å; F544-W547 HydrophobicContact CD1-CZ3 3.54Å; F544-W547 AromaticContact CE1-CH2 3.38Å; F544-W547 HydrophobicContact CE1-CH2 3.38Å; F544-W547 AromaticContact CE1-CZ2 3.72Å; F544-W547 HydrophobicContact CE1-CZ2 3.72Å; F544-W547 AromaticContact CE1-CZ3 3.84Å; F544-W547 HydrophobicContact CE1-CZ3 3.84Å; F544-W547 PolarHBondContact O-N 3.19Å; F544-W547 VanDerWaalsContact O-N 3.09Å; F544-N589 HydrophobicContact CD1-CB 4.21Å; F544-N589 VanDerWaalsContact CD2-OD1 3.26Å; F544-N589 WeakPolarHBondContact CD2-OD1 3.17Å; F544-N589 HydrophobicContact CE1-CB 3.62Å; F544-N589 HydrophobicContact CE2-CB 4.01Å; F544-N589 WeakPolarHBondContact CE2-OD1 3.29Å; F544-N589 HydrophobicContact CZ-CB 3.5Å; F544-L592 HydrophobicContact CE2-CD2 3.75Å; F544-L592 HydrophobicContact CZ-CD2 4.38Å; F544-L620 HydrophobicContact CE1-CD1 4.27Å; F544-L620 HydrophobicContact CE2-CD1 3.6Å; F544-L620 HydrophobicContact CZ-CD1 3.4Å; F544-H623 WeakPolarHBondContact CB-NE2 3.49Å; F544-H623 AromaticContact CD1-CD2 3.89Å; F544-H623 AromaticContact CG-CD2 3.69Å; F544-H623 AromaticContact CG-NE2 3.75Å; F544-L624 HydrophobicContact CD1-CD2 4.18Å; F544-L624 HydrophobicContact CE1-CD2 3.45Å; F544-L624 VanDerWaalsContact CE1-CD2 3.45Å; F544-L624 HydrophobicContact CE1-CG 4.49Å; F544-L624 HydrophobicContact CZ-CD2 4.16Å
545	Q	67.4	Low	65.5	Low	122 Å²	122	68.3 Å²	68.3	57%	0.57	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-60.5	-14.6	-173.7	-67.6	-179.7	-0	0	0	113.3	R542 W547	R542-Q545 WeakPolarHBondContact O-CB 3.05Å; R542-Q545 WeakPolarHBondContact O-CG 3.46Å; R542-Q545 PolarHBondContact O-N 3.27Å; Q545-W547 VanDerWaalsContact C-N 3.3Å; Q545-W547 PolarHBondContact O-N 3.1Å
546	E	59.6	Low	62.4	Low	64 Å²	64	73.8 Å²	73.8	30%	0.299	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-79.6	-0.6	177.7	-54	-162.5	144.1	0	0	115	F544 M548 K582 F585	F544-E546 PolarHBondContact O-N 3.38Å; E546-M548 PolarHBondContact O-N 3.41Å; E546-K582 WeakPolarHBondContact OE1-CD 3.49Å; E546-K582 IonicContact OE1-NZ 2.89Å; E546-K582 PolarHBondContact OE1-NZ 2.67Å; E546-K582 VanDerWaalsContact OE2-CD 3.3Å; E546-K582 WeakPolarHBondContact OE2-CD 3.27Å; E546-F585 VanDerWaalsContact OE2-CD2 3.31Å; E546-F585 WeakPolarHBondContact OE2-CD2 3.36Å
547	W	59.6	Low	59.3	Low	12 Å²	12	76.5 Å²	76.5	5%	0.045	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-81.9	8.5	179.4	-68.9	-2.6	0	0	0	114.8	F544 Q545 L624 T651 M655 C658	F544-W547 HydrophobicContact CD1-CD2 4.07Å; F544-W547 AromaticContact CD1-CE2 3.93Å; F544-W547 AromaticContact CD1-CE3 3.83Å; F544-W547 HydrophobicContact CD1-CE3 3.83Å; F544-W547 AromaticContact CD1-CH2 3.45Å; F544-W547 HydrophobicContact CD1-CH2 3.45Å; F544-W547 VanDerWaalsContact CD1-CH2 3.45Å; F544-W547 AromaticContact CD1-CZ2 3.64Å; F544-W547 HydrophobicContact CD1-CZ2 3.64Å; F544-W547 AromaticContact CD1-CZ3 3.54Å; F544-W547 HydrophobicContact CD1-CZ3 3.54Å; F544-W547 AromaticContact CE1-CH2 3.38Å; F544-W547 HydrophobicContact CE1-CH2 3.38Å; F544-W547 AromaticContact CE1-CZ2 3.72Å; F544-W547 HydrophobicContact CE1-CZ2 3.72Å; F544-W547 AromaticContact CE1-CZ3 3.84Å; F544-W547 HydrophobicContact CE1-CZ3 3.84Å; F544-W547 PolarHBondContact O-N 3.19Å; F544-W547 VanDerWaalsContact O-N 3.09Å; Q545-W547 VanDerWaalsContact C-N 3.3Å; Q545-W547 PolarHBondContact O-N 3.1Å; W547-L624 HydrophobicContact CH2-CD2 3.45Å; W547-L624 VanDerWaalsContact CH2-CD2 3.45Å; W547-L624 HydrophobicContact CZ3-CD2 3.5Å; W547-T651 HydrophobicContact CB-CG2 4.29Å; W547-T651 HydrophobicContact CG-CG2 3.99Å; W547-M655 HydrophobicContact CD2-CE 4.4Å; W547-M655 HydrophobicContact CD2-CG 3.97Å; W547-M655 HydrophobicContact CE3-CE 3.64Å; W547-M655 HydrophobicContact CE3-CG 3.82Å; W547-M655 HydrophobicContact CE3-SD 4.33Å; W547-M655 HydrophobicContact CH2-CB 4.24Å; W547-M655 HydrophobicContact CH2-CG 3.77Å; W547-M655 HydrophobicContact CZ2-CG 3.97Å; W547-M655 HydrophobicContact CZ3-CB 4.39Å; W547-M655 HydrophobicContact CZ3-CE 3.83Å; W547-M655 HydrophobicContact CZ3-CG 3.7Å; W547-C658 HydrophobicContact CH2-CB 4.24Å
548	M	51.6	Low	56.3	Low	151 Å²	151	79.3 Å²	79.3	74%	0.744	49%	0.488	S	S	*	.	S	Bend	trans	-70.3	130.8	169.5	-69.7	-174.4	64.1	0	0	109.4	E546	E546-M548 PolarHBondContact O-N 3.41Å
549	P	45	Very low	53.2	Low	44 Å²	44	81.2 Å²	81.2	29%	0.286	49%	0.49	S	S	.	.			trans	-56.6	145.7	167.9	-4	12.7	0	0	0	108.6	A551 Y631 S634	P549-A551 PolarHBondContact O-N 3.32Å; P549-Y631 HydrophobicContact CG-CD2 4.3Å; P549-S634 WeakPolarHBondContact CG-OG 3.41Å
550	P	42.5	Very low	50.3	Low	117 Å²	117	83.5 Å²	83.5	76%	0.76	51%	0.51	S	S	*	.			trans	-55	108.6	173	20.9	-29.6	0	0	0	108.4	G552	P550-G552 VanDerWaalsContact C-N 3.31Å; P550-G552 PolarHBondContact O-N 2.85Å
551	A	35.9	Very low	47.3	Very low	105 Å²	105	89.5 Å²	89.5	87%	0.868	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	93.8	171.9	0	0	0	0	0	106.6	P549	P549-A551 PolarHBondContact O-N 3.32Å
552	G	32.1	Very low	44.3	Very low	69 Å²	69	97.3 Å²	97.3	71%	0.711	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	157.2	13.5	178.9	0	0	0	0	0	119.4	P550	P550-G552 VanDerWaalsContact C-N 3.31Å; P550-G552 PolarHBondContact O-N 2.85Å
553	A	29.2	Very low	41.7	Very low	95 Å²	95	100.8 Å²	100.8	79%	0.785	61%	0.607	S	S	*	*			trans	-107.1	10.1	166.7	0	0	0	0	0	113.2
554	A	28.4	Very low	39.3	Very low	82 Å²	82	104.6 Å²	104.6	68%	0.678	63%	0.633	S	S	*	*	S	Bend	trans	-86.8	122.7	164.3	0	0	0	0	0	107.9
555	T	27.2	Very low	36.7	Very low	135 Å²	135	113.6 Å²	113.6	83%	0.828	67%	0.672	S	S	*	*			trans	67.1	60.5	166.5	64.2	0	0	0	0	117.8
556	T	25.7	Very low	34.9	Very low	124 Å²	124	116.5 Å²	116.5	76%	0.761	69%	0.686	S	S	*	*			trans	-96.3	87	132.3	35.5	0	0	0	0	107.1	C558	T556-C558 PolarHBondContact O-N 2.84Å
557	S	27.6	Very low	33.4	Very low	89 Å²	89	119.5 Å²	119.5	62%	0.622	71%	0.712	S	S	*	*			trans	-50.4	111.3	154.5	174.1	0	0	0	0	106.9	Y559	S557-Y559 PolarHBondContact O-N 3.17Å
558	C	28.2	Very low	32.1	Very low	116 Å²	116	126.7 Å²	126.7	78%	0.784	75%	0.751	S	S	*	*	S	Bend	trans	-70.6	71.8	174.6	-66	0	0	0	0	109.6	T556	T556-C558 PolarHBondContact O-N 2.84Å
559	Y	25.3	Very low	30.9	Very low	196 Å²	196	129 Å²	129	77%	0.769	76%	0.76	S	S	*	*			trans	-128.9	113.5	156.3	-72	-72.5	0	0	0	107	S557 P561	S557-Y559 PolarHBondContact O-N 3.17Å; Y559-P561 WeakPolarHBondContact O-CD 3.5Å
560	P	30.3	Very low	30.1	Very low	100 Å²	100	130 Å²	130	65%	0.649	78%	0.779	S	S	*	*			trans	-76.5	120.9	-177.1	30.6	-29.5	0	0	0	108.4	F562	P560-F562 HydrophobicContact CG-CE2 4.37Å; P560-F562 PolarHBondContact O-N 3.41Å
561	P	30.6	Very low	29.4	Very low	127 Å²	127	130.5 Å²	130.5	83%	0.825	79%	0.785	S	S	*	*			trans	-80.4	104.3	161.9	27.4	-16.8	0	0	0	106.8	Y559 L563	Y559-P561 WeakPolarHBondContact O-CD 3.5Å; P561-L563 PolarHBondContact O-N 3.18Å
562	F	28.7	Very low	28.9	Very low	186 Å²	186	128.2 Å²	128.2	82%	0.816	77%	0.772	S	S	*	*			trans	-50.4	112.7	161.4	-67	-93.1	0	0	0	109.6	P560	P560-F562 HydrophobicContact CG-CE2 4.37Å; P560-F562 PolarHBondContact O-N 3.41Å
563	L	33.3	Very low	28.8	Very low	169 Å²	169	130.9 Å²	130.9	89%	0.885	78%	0.776	S	S	*	*			trans	-155.5	139.4	143.1	-89.9	-176	0	0	0	110.2	P561	P561-L563 PolarHBondContact O-N 3.18Å
564	P	35.2	Very low	28.7	Very low	92 Å²	92	131 Å²	131	60%	0.597	78%	0.777	S	S	*	*			trans	-103.5	163.5	-167.5	37.5	-26.9	0	0	0	113.6
565	F	28.3	Very low	28.7	Very low	190 Å²	190	138.3 Å²	138.3	83%	0.833	79%	0.787	S	S	*	*			trans	71	109.7	167.3	-59.3	-81.1	0	0	0	117.8
566	Q	28.3	Very low	29	Very low	183 Å²	183	138.9 Å²	138.9	86%	0.855	78%	0.781	S	S	*	*				172.3	133.4	96.8	-89.8	-177.6	-8.6	0	0	110.2
567	C	28.5	Very low	29.3	Very low	127 Å²	127	137.6 Å²	137.6	86%	0.858	77%	0.769	S	S	*	*			trans	-53.5	131.9	165.9	-56.3	0	0	0	0	111
568	L	31.6	Very low	29.3	Very low	164 Å²	164	141 Å²	141	86%	0.859	78%	0.78	S	S	*	*			trans	-157.4	132	146.2	-104	143.7	0	0	0	109.8	G570	L568-G570 PolarHBondContact O-N 3.27Å
569	Q	27.5	Very low	29.2	Very low	198 Å²	198	144.4 Å²	144.4	93%	0.925	78%	0.782	S	S	*	*			trans	-50.4	121.2	-179.6	-66.3	159.9	-18.3	0	0	111.3
570	G	28.2	Very low	30	Very low	67 Å²	67	141.3 Å²	141.3	69%	0.691	77%	0.772	S	S	*	*			trans	-139	113	165.4	0	0	0	0	0	107.2	L568 G572	L568-G570 PolarHBondContact O-N 3.27Å; G570-G572 VanDerWaalsContact C-N 3.26Å; G570-G572 PolarHBondContact O-N 2.88Å
571	S	26.5	Very low	31	Very low	126 Å²	126	141.7 Å²	141.7	88%	0.881	77%	0.768	S	S	*	*			trans	-52.3	88.7	168.1	50.7	0	0	0	0	109.9
572	G	27.2	Very low	32.8	Very low	58 Å²	58	138.8 Å²	138.8	60%	0.598	74%	0.743	S	S	*	*			trans	-64.9	134.3	166.4	0	0	0	0	0	107.7	G570 A574	G570-G572 VanDerWaalsContact C-N 3.26Å; G570-G572 PolarHBondContact O-N 2.88Å; G572-A574 PolarHBondContact O-N 3.35Å
573	P	28.7	Very low	34.9	Very low	124 Å²	124	132.8 Å²	132.8	81%	0.805	72%	0.719	S	S	*	*			trans	-52.7	132.8	174.2	23.6	-31.1	0	0	0	107.3	R575	P573-R575 PolarHBondContact O-N 2.82Å
574	A	27.8	Very low	37.1	Very low	97 Å²	97	125.3 Å²	125.3	80%	0.802	68%	0.68	S	S	*	*			trans	-37.9	112.1	179.3	0	0	0	0	0	108.2	G572 E576	G572-A574 PolarHBondContact O-N 3.35Å; A574-E576 PolarHBondContact O-N 3.41Å
575	R	27.7	Very low	39.6	Very low	237 Å²	237	121.7 Å²	121.7	89%	0.894	66%	0.655	S	S	*	*			trans	-51	110.2	171.4	-90	179.9	166	176.1	-4.2	104.7	P573 D577	P573-R575 PolarHBondContact O-N 2.82Å; R575-D577 PolarHBondContact O-N 3.16Å; R575-D577 VanDerWaalsContact O-N 3.1Å
576	E	33.3	Very low	42.5	Very low	146 Å²	146	113.2 Å²	113.2	68%	0.682	62%	0.618	S	S	*	*			trans	-48.1	125.3	168.4	-89.5	-172.6	125	0	0	105.7	A574 L578 K582	A574-E576 PolarHBondContact O-N 3.41Å; E576-L578 PolarHBondContact O-N 3.45Å; E576-K582 IonicContact OE1-NZ 2.77Å; E576-K582 PolarHBondContact OE1-NZ 2.9Å; E576-K582 VanDerWaalsContact OE1-NZ 3.16Å
577	D	32.4	Very low	45.4	Very low	98 Å²	98	105.2 Å²	105.2	52%	0.524	58%	0.58	S	S	.	*			trans	-59.7	102.2	-178.9	-166.3	1.1	0	0	0	107.8	R575 F579 K580	R575-D577 PolarHBondContact O-N 3.16Å; R575-D577 VanDerWaalsContact O-N 3.1Å; D577-F579 PolarHBondContact O-N 2.86Å; D577-K580 HydrophobicContact CB-CG 4.21Å; D577-K580 PolarHBondContact O-N 2.74Å
578	L	28.4	Very low	48.5	Very low	161 Å²	161	99.2 Å²	99.2	84%	0.843	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-15.5	-174.9	-84.9	144.2	0	0	0	112.1	E576	E576-L578 PolarHBondContact O-N 3.45Å
579	F	26.4	Very low	51.5	Low	187 Å²	187	91.5 Å²	91.5	82%	0.82	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-3.1	178.9	-60.7	-74.5	0	0	0	114.5	D577 N581	D577-F579 PolarHBondContact O-N 2.86Å; F579-N581 PolarHBondContact O-N 2.73Å
580	K	41.9	Very low	54.6	Low	131 Å²	131	82.6 Å²	82.6	57%	0.57	46%	0.458	S	S	*	.			trans	-66.5	105.9	171.5	-85.6	-174.2	177.9	-174.8	0	109.2	D577 K582	D577-K580 HydrophobicContact CB-CG 4.21Å; D577-K580 PolarHBondContact O-N 2.74Å; K580-K582 WeakPolarHBondContact O-CG 3.29Å; K580-K582 PolarHBondContact O-N 2.59Å
581	N	51.1	Low	57.9	Low	107 Å²	107	79.4 Å²	79.4	57%	0.572	43%	0.425	S	S	*	.			trans	-63.9	106.6	174.1	-172.6	-5.7	0	0	0	110.1	F579 D583 H584	F579-N581 PolarHBondContact O-N 2.73Å; N581-D583 VanDerWaalsContact C-N 3.29Å; N581-D583 PolarHBondContact ND2-OD2 3.43Å; N581-D583 PolarHBondContact O-N 3.41Å; N581-D583 WeakPolarHBondContact OD1-CB 3.46Å; N581-D583 PolarHBondContact OD1-N 3.02Å; N581-D583 PolarHBondContact OD1-OD1 3.1Å; N581-D583 PolarHBondContact OD1-OD2 3.19Å; N581-H584 PolarHBondContact O-CE1 3.18Å; N581-H584 PolarHBondContact O-ND1 2.89Å
582	K	67	Low	61.2	Low	67 Å²	67	73.5 Å²	73.5	29%	0.291	38%	0.383	S	S	.	.			trans	-87.7	17.1	-179.3	-61.2	-164	179.3	-175.1	0	113.8	E546 E576 K580 H584 F585	E546-K582 WeakPolarHBondContact OE1-CD 3.49Å; E546-K582 IonicContact OE1-NZ 2.89Å; E546-K582 PolarHBondContact OE1-NZ 2.67Å; E546-K582 VanDerWaalsContact OE2-CD 3.3Å; E546-K582 WeakPolarHBondContact OE2-CD 3.27Å; E576-K582 IonicContact OE1-NZ 2.77Å; E576-K582 PolarHBondContact OE1-NZ 2.9Å; E576-K582 VanDerWaalsContact OE1-NZ 3.16Å; K580-K582 WeakPolarHBondContact O-CG 3.29Å; K580-K582 PolarHBondContact O-N 2.59Å; K582-H584 PolarHBondContact O-N 3.36Å; K582-H584 VanDerWaalsContact O-N 3.09Å; K582-F585 HydrophobicContact CB-CD2 4.08Å; K582-F585 HydrophobicContact CD-CD2 4.24Å; K582-F585 HydrophobicContact CD-CE2 4.27Å; K582-F585 HydrophobicContact CG-CD2 4.41Å; K582-F585 PolarHBondContact O-N 3.06Å; K582-F585 VanDerWaalsContact O-N 3.16Å
583	D	74.1	Confident	64.4	Low	60 Å²	60	70.7 Å²	70.7	32%	0.321	36%	0.355	S	S	.	.	H	α-helix	trans	-54.1	-31.1	179.4	-78.8	-24.5	0	0	0	113.4	N581 F585 Q586 F587 W654	N581-D583 VanDerWaalsContact C-N 3.29Å; N581-D583 PolarHBondContact ND2-OD2 3.43Å; N581-D583 PolarHBondContact O-N 3.41Å; N581-D583 WeakPolarHBondContact OD1-CB 3.46Å; N581-D583 PolarHBondContact OD1-N 3.02Å; N581-D583 PolarHBondContact OD1-OD1 3.1Å; N581-D583 PolarHBondContact OD1-OD2 3.19Å; D583-F585 PolarHBondContact O-N 2.95Å; D583-Q586 WeakPolarHBondContact O-CB 3.21Å; D583-Q586 PolarHBondContact O-N 3.08Å; D583-Q586 VanDerWaalsContact O-N 3.09Å; D583-F587 HydrophobicContact CB-CD2 4.42Å; D583-F587 HydrophobicContact CB-CE2 4.27Å; D583-F587 WeakPolarHBondContact O-CD2 3.45Å; D583-F587 PolarHBondContact O-N 3.13Å; D583-W654 HydrophobicContact CB-CZ2 4.24Å
584	H	79.1	Confident	67.6	Low	11 Å²	11	64.8 Å²	64.8	5%	0.051	32%	0.317	C	S	.	.	H	α-helix	trans	-60.7	-39.1	179.6	55.2	-86.5	0	0	0	113.3	M471 F476 L518 A522 N581 K582 Q586 F587 T588	M471-H584 HydrophobicContact CE-CB 3.85Å; M471-H584 HydrophobicContact SD-CB 4.25Å; M471-H584 VanDerWaalsContact SD-CD2 3.54Å; F476-H584 AromaticContact CZ-CE1 3.8Å; F476-H584 AromaticContact CZ-NE2 3.97Å; L518-H584 HydrophobicContact CD1-CB 3.87Å; L518-H584 HydrophobicContact CD2-CB 3.92Å; L518-H584 HydrophobicContact CG-CB 3.8Å; A522-H584 WeakPolarHBondContact CB-O 3.36Å; N581-H584 PolarHBondContact O-CE1 3.18Å; N581-H584 PolarHBondContact O-ND1 2.89Å; K582-H584 PolarHBondContact O-N 3.36Å; K582-H584 VanDerWaalsContact O-N 3.09Å; H584-Q586 VanDerWaalsContact C-N 3.32Å; H584-Q586 PolarHBondContact O-N 2.99Å; H584-F587 PolarHBondContact O-N 2.83Å; H584-T588 PolarHBondContact O-N 3.23Å; H584-T588 PolarHBondContact O-OG1 2.68Å
585	F	87	Confident	70.8	Confident	16 Å²	16	60.2 Å²	60.2	7%	0.07	28%	0.278	C	S	.	.	H	α-helix	trans	-65.9	-37.5	173.9	-62.5	-40.2	0	0	0	111.8	M471 F543 E546 K582 D583 T588 N589	M471-F585 HydrophobicContact CB-CE1 4.28Å; M471-F585 WeakPolarHBondContact O-CE1 3.42Å; F543-F585 HydrophobicContact CB-CB 4.43Å; F543-F585 AromaticContact CD1-CD1 3.43Å; F543-F585 HydrophobicContact CD1-CD1 3.43Å; F543-F585 VanDerWaalsContact CD1-CD1 3.43Å; F543-F585 AromaticContact CD1-CE1 3.73Å; F543-F585 HydrophobicContact CD1-CE1 3.73Å; F543-F585 HydrophobicContact CD1-CG 4.2Å; F543-F585 AromaticContact CE1-CD1 3.89Å; F543-F585 HydrophobicContact CE1-CD1 3.89Å; F543-F585 AromaticContact CE1-CE1 3.75Å; F543-F585 HydrophobicContact CE1-CE1 3.75Å; F543-F585 HydrophobicContact CG-CD1 4.25Å; E546-F585 VanDerWaalsContact OE2-CD2 3.31Å; E546-F585 WeakPolarHBondContact OE2-CD2 3.36Å; K582-F585 HydrophobicContact CB-CD2 4.08Å; K582-F585 HydrophobicContact CD-CD2 4.24Å; K582-F585 HydrophobicContact CD-CE2 4.27Å; K582-F585 HydrophobicContact CG-CD2 4.41Å; K582-F585 PolarHBondContact O-N 3.06Å; K582-F585 VanDerWaalsContact O-N 3.16Å; D583-F585 PolarHBondContact O-N 2.95Å; F585-T588 WeakPolarHBondContact O-CB 3.12Å; F585-T588 PolarHBondContact O-N 3.13Å; F585-N589 VanDerWaalsContact O-CG 3.28Å; F585-N589 PolarHBondContact O-N 3.18Å; F585-N589 PolarHBondContact O-ND2 2.96Å
586	Q	88.7	Confident	73.9	Confident	13 Å²	13	49 Å²	49	6%	0.061	24%	0.236	C	C	.	.	H	α-helix	trans	-66.5	-38.8	176.6	-57	-63.7	-20	0	0	111.9	D583 H584 N589 L590 W654	D583-Q586 WeakPolarHBondContact O-CB 3.21Å; D583-Q586 PolarHBondContact O-N 3.08Å; D583-Q586 VanDerWaalsContact O-N 3.09Å; H584-Q586 VanDerWaalsContact C-N 3.32Å; H584-Q586 PolarHBondContact O-N 2.99Å; Q586-N589 PolarHBondContact O-N 3.22Å; Q586-L590 WeakPolarHBondContact O-CB 3.46Å; Q586-L590 PolarHBondContact O-N 3.27Å; Q586-W654 HydrophobicContact CB-CB 4.44Å; Q586-W654 HydrophobicContact CB-CD2 3.31Å; Q586-W654 VanDerWaalsContact CB-CE2 3.47Å; Q586-W654 HydrophobicContact CB-CE3 3.46Å; Q586-W654 VanDerWaalsContact CB-CE3 3.46Å; Q586-W654 HydrophobicContact CB-CG 3.79Å; Q586-W654 HydrophobicContact CB-CH2 3.87Å; Q586-W654 HydrophobicContact CB-CZ2 3.76Å; Q586-W654 HydrophobicContact CB-CZ3 3.73Å; Q586-W654 HydrophobicContact CG-CB 4.4Å; Q586-W654 HydrophobicContact CG-CD2 3.83Å; Q586-W654 HydrophobicContact CG-CE3 4.44Å; Q586-W654 HydrophobicContact CG-CG 3.79Å; Q586-W654 HydrophobicContact CG-CZ2 4.42Å
587	F	90.7	Very high	76.8	Confident	14 Å²	14	42.2 Å²	42.2	6%	0.061	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-43	171	-78.2	-67	0	0	0	112.1	L421 T519 A522 D583 H584 N589 L590 F591 W654	L421-F587 HydrophobicContact CD2-CD1 3.74Å; L421-F587 HydrophobicContact CD2-CE1 3.64Å; T519-F587 HydrophobicContact CG2-CB 4.48Å; T519-F587 HydrophobicContact CG2-CD1 3.87Å; T519-F587 HydrophobicContact CG2-CE1 4.19Å; T519-F587 HydrophobicContact CG2-CG 4.08Å; A522-F587 HydrophobicContact CB-CB 3.71Å; D583-F587 HydrophobicContact CB-CD2 4.42Å; D583-F587 HydrophobicContact CB-CE2 4.27Å; D583-F587 WeakPolarHBondContact O-CD2 3.45Å; D583-F587 PolarHBondContact O-N 3.13Å; H584-F587 PolarHBondContact O-N 2.83Å; F587-N589 VanDerWaalsContact C-N 3.31Å; F587-N589 PolarHBondContact O-N 2.71Å; F587-L590 WeakPolarHBondContact O-CB 3.35Å; F587-L590 PolarHBondContact O-N 3.32Å; F587-F591 HydrophobicContact CB-CD2 4.34Å; F587-F591 HydrophobicContact CB-CE2 4.07Å; F587-F591 HydrophobicContact CD1-CE2 4.46Å; F587-F591 WeakPolarHBondContact O-CD2 3.47Å; F587-F591 WeakPolarHBondContact O-CG 3.41Å; F587-F591 PolarHBondContact O-N 3.03Å; F587-W654 AromaticContact CD1-CH2 3.93Å; F587-W654 HydrophobicContact CD1-CH2 3.93Å; F587-W654 HydrophobicContact CD1-CZ3 4.14Å; F587-W654 AromaticContact CD2-CH2 3.88Å; F587-W654 HydrophobicContact CD2-CH2 3.88Å; F587-W654 AromaticContact CE1-CH2 3.79Å; F587-W654 HydrophobicContact CE1-CH2 3.79Å; F587-W654 HydrophobicContact CE1-CZ3 4.24Å; F587-W654 AromaticContact CE2-CH2 3.74Å; F587-W654 HydrophobicContact CE2-CH2 3.74Å; F587-W654 HydrophobicContact CE2-CZ2 4.36Å; F587-W654 AromaticContact CG-CH2 3.97Å; F587-W654 HydrophobicContact CG-CH2 3.97Å; F587-W654 HydrophobicContact CG-CZ3 4.38Å; F587-W654 AromaticContact CZ-CH2 3.7Å; F587-W654 HydrophobicContact CZ-CH2 3.7Å
588	T	93.6	Very high	79.4	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-57.7	-45.4	175	-64.5	0	0	0	0	111.2	A522 T525 A526 L529 F543 H584 F585 L590 F591 L592	A522-T588 VanDerWaalsContact CA-OG1 3.31Å; A522-T588 WeakPolarHBondContact CA-OG1 3.3Å; A522-T588 WeakPolarHBondContact CB-OG1 3.27Å; A522-T588 PolarHBondContact O-OG1 2.79Å; A522-T588 VanDerWaalsContact O-OG1 3.13Å; T525-T588 HydrophobicContact CG2-CG2 3.78Å; A526-T588 HydrophobicContact CB-CG2 4.11Å; A526-T588 WeakPolarHBondContact CB-O 3.49Å; L529-T588 HydrophobicContact CD1-CG2 4.41Å; F543-T588 HydrophobicContact CD2-CG2 3.75Å; F543-T588 HydrophobicContact CE2-CG2 4.28Å; F543-T588 HydrophobicContact CG-CG2 4.37Å; H584-T588 PolarHBondContact O-N 3.23Å; H584-T588 PolarHBondContact O-OG1 2.68Å; F585-T588 WeakPolarHBondContact O-CB 3.12Å; F585-T588 PolarHBondContact O-N 3.13Å; T588-L590 PolarHBondContact O-N 3.49Å; T588-F591 PolarHBondContact O-N 3.47Å; T588-L592 WeakPolarHBondContact O-CB 3.28Å; T588-L592 PolarHBondContact O-N 2.89Å
589	N	93.7	Very high	82.1	Confident	2 Å²	2	41 Å²	41	1%	0.011	20%	0.202	C	C	.	.	H	α-helix	trans	-61.6	-43	176	-68.7	-24	0	0	0	112.2	F543 F544 F585 Q586 F587 L592 C593	F543-N589 WeakPolarHBondContact CB-OD1 3.29Å; F543-N589 PolarHBondContact O-ND2 2.95Å; F544-N589 HydrophobicContact CD1-CB 4.21Å; F544-N589 VanDerWaalsContact CD2-OD1 3.26Å; F544-N589 WeakPolarHBondContact CD2-OD1 3.17Å; F544-N589 HydrophobicContact CE1-CB 3.62Å; F544-N589 HydrophobicContact CE2-CB 4.01Å; F544-N589 WeakPolarHBondContact CE2-OD1 3.29Å; F544-N589 HydrophobicContact CZ-CB 3.5Å; F585-N589 VanDerWaalsContact O-CG 3.28Å; F585-N589 PolarHBondContact O-N 3.18Å; F585-N589 PolarHBondContact O-ND2 2.96Å; Q586-N589 PolarHBondContact O-N 3.22Å; F587-N589 VanDerWaalsContact C-N 3.31Å; F587-N589 PolarHBondContact O-N 2.71Å; N589-L592 WeakPolarHBondContact O-CB 3.32Å; N589-L592 PolarHBondContact O-N 3.12Å; N589-C593 PolarHBondContact O-N 3.37Å; N589-C593 PolarHBondContact O-SG 3.11Å
590	L	94	Very high	85.1	Confident	12 Å²	12	34.1 Å²	34.1	6%	0.063	17%	0.171	C	C	.	.	H	α-helix	trans	-59.2	-52	176.3	-179.4	157.1	0	0	0	111.3	L421 Q586 F587 T588 L592 C593 G594 W654 R657 E661	L421-L590 HydrophobicContact CB-CD2 3.93Å; L421-L590 HydrophobicContact CD2-CD2 4.15Å; Q586-L590 WeakPolarHBondContact O-CB 3.46Å; Q586-L590 PolarHBondContact O-N 3.27Å; F587-L590 WeakPolarHBondContact O-CB 3.35Å; F587-L590 PolarHBondContact O-N 3.32Å; T588-L590 PolarHBondContact O-N 3.49Å; L590-L592 VanDerWaalsContact C-N 3.27Å; L590-L592 PolarHBondContact O-N 2.95Å; L590-C593 WeakPolarHBondContact O-CB 3.32Å; L590-C593 PolarHBondContact O-N 2.98Å; L590-C593 VanDerWaalsContact O-N 3.1Å; L590-G594 PolarHBondContact O-N 3.31Å; L590-G594 VanDerWaalsContact O-N 3.07Å; L590-W654 HydrophobicContact CD1-CZ3 4.02Å; L590-R657 HydrophobicContact CD1-CB 3.85Å; L590-E661 HydrophobicContact CD2-CG 3.54Å; L590-E661 HydrophobicContact CG-CG 3.78Å
591	F	95.8	Very high	87.2	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.8	-36.3	178.5	-70.2	-55.9	0	0	0	112	L421 F425 T519 A522 F523 A526 F587 T588 C593 G594 L595	L421-F591 HydrophobicContact CB-CE1 4.08Å; L421-F591 HydrophobicContact CD2-CE1 3.97Å; L421-F591 HydrophobicContact CD2-CZ 3.67Å; L421-F591 HydrophobicContact CG-CE1 3.68Å; L421-F591 HydrophobicContact CG-CZ 3.77Å; F425-F591 HydrophobicContact CB-CE1 4.12Å; F425-F591 HydrophobicContact CD1-CZ 4.29Å; F425-F591 AromaticContact CD2-CE1 3.75Å; F425-F591 HydrophobicContact CD2-CE1 3.75Å; F425-F591 AromaticContact CD2-CZ 3.69Å; F425-F591 HydrophobicContact CD2-CZ 3.69Å; F425-F591 HydrophobicContact CE1-CZ 4.46Å; F425-F591 HydrophobicContact CE2-CE1 4.36Å; F425-F591 AromaticContact CE2-CZ 3.87Å; F425-F591 HydrophobicContact CE2-CZ 3.87Å; F425-F591 AromaticContact CG-CE1 3.92Å; F425-F591 HydrophobicContact CG-CE1 3.92Å; F425-F591 AromaticContact CG-CZ 3.91Å; F425-F591 HydrophobicContact CG-CZ 3.91Å; F425-F591 HydrophobicContact CZ-CZ 4.27Å; T519-F591 HydrophobicContact CG2-CE2 3.56Å; T519-F591 HydrophobicContact CG2-CZ 3.57Å; T519-F591 WeakPolarHBondContact O-CE2 3.45Å; A522-F591 HydrophobicContact CB-CD2 4.41Å; A522-F591 HydrophobicContact CB-CE2 4.38Å; F523-F591 VanDerWaalsContact CA-CD2 3.44Å; F523-F591 HydrophobicContact CB-CD1 4.44Å; F523-F591 HydrophobicContact CB-CD2 3.77Å; F523-F591 HydrophobicContact CB-CE1 4.41Å; F523-F591 HydrophobicContact CB-CE2 3.75Å; F523-F591 HydrophobicContact CB-CG 4.14Å; F523-F591 HydrophobicContact CB-CZ 4.08Å; F523-F591 HydrophobicContact CD2-CB 4.27Å; F523-F591 AromaticContact CD2-CD1 3.65Å; F523-F591 HydrophobicContact CD2-CD1 3.65Å; F523-F591 HydrophobicContact CD2-CD2 4.37Å; F523-F591 AromaticContact CD2-CE1 3.99Å; F523-F591 HydrophobicContact CD2-CE1 3.99Å; F523-F591 AromaticContact CD2-CG 3.86Å; F523-F591 HydrophobicContact CD2-CG 3.86Å; F523-F591 HydrophobicContact CD2-CZ 4.49Å; F523-F591 HydrophobicContact CE2-CD1 4.49Å; A526-F591 HydrophobicContact CB-CB 3.59Å; F587-F591 HydrophobicContact CB-CD2 4.34Å; F587-F591 HydrophobicContact CB-CE2 4.07Å; F587-F591 HydrophobicContact CD1-CE2 4.46Å; F587-F591 WeakPolarHBondContact O-CD2 3.47Å; F587-F591 WeakPolarHBondContact O-CG 3.41Å; F587-F591 PolarHBondContact O-N 3.03Å; T588-F591 PolarHBondContact O-N 3.47Å; F591-C593 VanDerWaalsContact C-N 3.29Å; F591-C593 PolarHBondContact O-N 3.49Å; F591-G594 PolarHBondContact O-N 3Å; F591-L595 WeakPolarHBondContact O-CB 3.48Å; F591-L595 VanDerWaalsContact O-CG 3.23Å; F591-L595 WeakPolarHBondContact O-CG 3.47Å; F591-L595 PolarHBondContact O-N 2.89Å
592	L	95.9	Very high	88.9	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-61	-40.8	174.8	-172.2	73.7	0	0	0	111.5	A526 L529 V530 L540 F544 T588 N589 L590 L596 L620	A526-L592 HydrophobicContact CB-CB 4.29Å; L529-L592 HydrophobicContact CB-CD1 4.3Å; V530-L592 HydrophobicContact CG2-CD1 3.52Å; L540-L592 HydrophobicContact CD1-CD1 3.59Å; L540-L592 HydrophobicContact CD1-CD2 4.04Å; L540-L592 HydrophobicContact CD1-CG 4.37Å; L540-L592 HydrophobicContact CG-CD1 4.5Å; L540-L592 HydrophobicContact CG-CD2 4.08Å; L540-L592 WeakPolarHBondContact O-CD2 3.32Å; F544-L592 HydrophobicContact CE2-CD2 3.75Å; F544-L592 HydrophobicContact CZ-CD2 4.38Å; T588-L592 WeakPolarHBondContact O-CB 3.28Å; T588-L592 PolarHBondContact O-N 2.89Å; N589-L592 WeakPolarHBondContact O-CB 3.32Å; N589-L592 PolarHBondContact O-N 3.12Å; L590-L592 VanDerWaalsContact C-N 3.27Å; L590-L592 PolarHBondContact O-N 2.95Å; L592-L596 HydrophobicContact CD1-CD1 4.04Å; L592-L596 HydrophobicContact CG-CD1 4.11Å; L592-L596 WeakPolarHBondContact O-CB 3.38Å; L592-L596 PolarHBondContact O-N 2.76Å; L592-L620 HydrophobicContact CD2-CD1 3.97Å; L592-L620 HydrophobicContact CD2-CD2 4.43Å; L592-L620 HydrophobicContact CG-CD2 4.3Å
593	C	95.3	Very high	89.8	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63	-42.5	174.2	-64.7	0	0	0	0	113	N589 L590 F591 S597 C658 E661 T662	N589-C593 PolarHBondContact O-N 3.37Å; N589-C593 PolarHBondContact O-SG 3.11Å; L590-C593 WeakPolarHBondContact O-CB 3.32Å; L590-C593 PolarHBondContact O-N 2.98Å; L590-C593 VanDerWaalsContact O-N 3.1Å; F591-C593 VanDerWaalsContact C-N 3.29Å; F591-C593 PolarHBondContact O-N 3.49Å; C593-S597 PolarHBondContact O-N 3.49Å; C593-S597 VanDerWaalsContact O-N 3.13Å; C593-C658 HydrophobicContact CB-CB 4.44Å; C593-C658 WeakPolarHBondContact CB-O 3.24Å; C593-E661 HydrophobicContact CB-CB 3.97Å; C593-T662 HydrophobicContact CB-CG2 4.07Å
594	G	94.7	Very high	90.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.9	-44.5	178.6	0	0	0	0	0	112.7	L590 F591 S597 K600 E661	L590-G594 PolarHBondContact O-N 3.31Å; L590-G594 VanDerWaalsContact O-N 3.07Å; F591-G594 PolarHBondContact O-N 3Å; G594-S597 WeakPolarHBondContact O-CB 3.39Å; G594-S597 PolarHBondContact O-N 2.68Å; G594-S597 PolarHBondContact O-OG 3.14Å; G594-K600 WeakPolarHBondContact O-CG 3.26Å; G594-E661 VanDerWaalsContact CA-OE2 3.29Å; G594-E661 WeakPolarHBondContact CA-OE2 3.38Å
595	L	95.1	Very high	90.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.3	-43.5	177.8	-70	170.3	0	0	0	111.4	T422 L426 F523 A526 F527 V530 F591 S597 K600 L604	T422-L595 HydrophobicContact CG2-CD2 3.87Å; T422-L595 HydrophobicContact CG2-CG 3.92Å; L426-L595 HydrophobicContact CD1-CD2 4.45Å; L426-L595 HydrophobicContact CD2-CD2 3.99Å; L426-L595 HydrophobicContact CG-CD2 4.4Å; F523-L595 HydrophobicContact CE2-CD2 4.3Å; A526-L595 HydrophobicContact CB-CD1 4.13Å; F527-L595 HydrophobicContact CB-CD1 4.18Å; F527-L595 HydrophobicContact CD2-CD1 3.85Å; F527-L595 HydrophobicContact CD2-CD2 3.73Å; F527-L595 HydrophobicContact CD2-CG 4.47Å; F527-L595 HydrophobicContact CE2-CD2 4Å; F527-L595 HydrophobicContact CG-CD1 4.47Å; V530-L595 HydrophobicContact CG2-CB 3.99Å; V530-L595 HydrophobicContact CG2-CD1 4.19Å; F591-L595 WeakPolarHBondContact O-CB 3.48Å; F591-L595 VanDerWaalsContact O-CG 3.23Å; F591-L595 WeakPolarHBondContact O-CG 3.47Å; F591-L595 PolarHBondContact O-N 2.89Å; L595-S597 PolarHBondContact O-N 3.14Å; L595-K600 WeakPolarHBondContact O-CB 3.39Å; L595-L604 HydrophobicContact CB-CD1 4.41Å; L595-L604 WeakPolarHBondContact O-CD1 3.07Å
596	L	94.5	Very high	90.7	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	2.8	177.4	-67.8	177.1	0	0	0	113.8	V530 L540 L592 L613 K616 R617 L620	V530-L596 HydrophobicContact CG1-CD2 4.06Å; V530-L596 HydrophobicContact CG2-CD2 4.09Å; V530-L596 HydrophobicContact CG2-CG 3.99Å; L540-L596 HydrophobicContact CD1-CD1 4.42Å; L540-L596 HydrophobicContact CD2-CD1 4.37Å; L592-L596 HydrophobicContact CD1-CD1 4.04Å; L592-L596 HydrophobicContact CG-CD1 4.11Å; L592-L596 WeakPolarHBondContact O-CB 3.38Å; L592-L596 PolarHBondContact O-N 2.76Å; L596-L613 HydrophobicContact CD2-CD2 4.14Å; L596-K616 HydrophobicContact CD1-CB 4.01Å; L596-K616 HydrophobicContact CD2-CB 4.16Å; L596-R617 PolarHBondContact O-NE 3.12Å; L596-R617 PolarHBondContact O-NH2 3.43Å; L596-L620 HydrophobicContact CB-CD2 4.11Å; L596-L620 HydrophobicContact CD1-CB 4.35Å; L596-L620 HydrophobicContact CD1-CD2 3.84Å
597	S	92.5	Very high	90.7	Very high	4 Å²	4	36.9 Å²	36.9	3%	0.028	18%	0.175	C	C	.	.	S	Bend	trans	-58.4	161	174.9	74.8	0	0	0	0	112.2	C593 G594 L595 A599 K600 R617	C593-S597 PolarHBondContact O-N 3.49Å; C593-S597 VanDerWaalsContact O-N 3.13Å; G594-S597 WeakPolarHBondContact O-CB 3.39Å; G594-S597 PolarHBondContact O-N 2.68Å; G594-S597 PolarHBondContact O-OG 3.14Å; L595-S597 PolarHBondContact O-N 3.14Å; S597-A599 VanDerWaalsContact C-N 3.29Å; S597-A599 PolarHBondContact O-N 3Å; S597-K600 WeakPolarHBondContact OG-CG 3.29Å; S597-K600 PolarHBondContact OG-N 3.12Å; S597-R617 PolarHBondContact O-NH2 2.75Å
598	K	88	Confident	90.5	Very high	161 Å²	161	36.4 Å²	36.4	70%	0.7	17%	0.173	S	C	*	.	S	Bend	trans	-67.2	-34.8	177.4	-167.7	-179.6	178.3	-171.9	0	111.1	K600 Q601	K598-K600 VanDerWaalsContact C-N 3.34Å; K598-K600 PolarHBondContact O-N 3.18Å; K598-Q601 WeakPolarHBondContact O-CB 3.4Å; K598-Q601 PolarHBondContact O-N 3.33Å
599	A	84.7	Confident	90.4	Very high	73 Å²	73	39.8 Å²	39.8	60%	0.603	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-40.1	-179.6	0	0	0	0	0	112.2	S597 Q601	S597-A599 VanDerWaalsContact C-N 3.29Å; S597-A599 PolarHBondContact O-N 3Å; A599-Q601 VanDerWaalsContact C-N 3.29Å; A599-Q601 PolarHBondContact O-N 3.07Å
600	K	89.1	Confident	90.2	Very high	42 Å²	42	41.7 Å²	41.7	18%	0.183	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	0.4	179.5	-53.6	-48	172.6	-167.2	0	114.4	D423 L426 G594 L595 S597 K598 K602 L603 L604	D423-K600 WeakPolarHBondContact OD1-CE 3.37Å; D423-K600 IonicContact OD1-NZ 3.6Å; D423-K600 PolarHBondContact OD1-NZ 3.48Å; L426-K600 HydrophobicContact CD1-CD 3.89Å; L426-K600 HydrophobicContact CD1-CG 4.26Å; G594-K600 WeakPolarHBondContact O-CG 3.26Å; L595-K600 WeakPolarHBondContact O-CB 3.39Å; S597-K600 WeakPolarHBondContact OG-CG 3.29Å; S597-K600 PolarHBondContact OG-N 3.12Å; K598-K600 VanDerWaalsContact C-N 3.34Å; K598-K600 PolarHBondContact O-N 3.18Å; K600-K602 VanDerWaalsContact C-N 3.3Å; K600-K602 PolarHBondContact O-N 3.15Å; K600-L603 WeakPolarHBondContact O-CB 3Å; K600-L603 PolarHBondContact O-N 3.45Å; K600-L604 PolarHBondContact O-N 3.4Å
601	Q	86.9	Confident	90	Very high	24 Å²	24	44 Å²	44	11%	0.112	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-39.1	178.4	-164.5	177.4	-14.3	0	0	112.6	K598 A599 L603 R605	K598-Q601 WeakPolarHBondContact O-CB 3.4Å; K598-Q601 PolarHBondContact O-N 3.33Å; A599-Q601 VanDerWaalsContact C-N 3.29Å; A599-Q601 PolarHBondContact O-N 3.07Å; Q601-L603 VanDerWaalsContact C-N 3.32Å; Q601-R605 HydrophobicContact CG-CG 4.23Å; Q601-R605 WeakPolarHBondContact O-CB 3.46Å; Q601-R605 WeakPolarHBondContact O-CG 3.08Å; Q601-R605 PolarHBondContact O-N 3.05Å; Q601-R605 VanDerWaalsContact O-N 3.07Å
602	K	85.5	Confident	89.8	Confident	160 Å²	160	44.2 Å²	44.2	70%	0.696	23%	0.234	S	C	*	.	H	α-helix	trans	-63.9	-41.6	178.7	-172.2	179.7	178	-176.2	0	110.8	K600 H606	K600-K602 VanDerWaalsContact C-N 3.3Å; K600-K602 PolarHBondContact O-N 3.15Å; K602-H606 PolarHBondContact O-CD2 3.22Å
603	L	87.2	Confident	89.7	Confident	27 Å²	27	44.2 Å²	44.2	14%	0.141	23%	0.234	C	C	.	.	H	α-helix	trans	-63.6	-50.9	178.2	-172.6	64.2	0	0	0	111.6	L426 P449 V450 L453 K600 Q601	L426-L603 HydrophobicContact CD1-CD2 3.97Å; L426-L603 HydrophobicContact CD2-CD2 4.07Å; P449-L603 HydrophobicContact CB-CD1 4.14Å; V450-L603 HydrophobicContact CB-CD1 4.48Å; V450-L603 HydrophobicContact CG2-CD1 3.82Å; L453-L603 HydrophobicContact CD1-CD1 3.72Å; L453-L603 HydrophobicContact CD1-CD2 3.8Å; L453-L603 HydrophobicContact CD1-CG 3.77Å; K600-L603 WeakPolarHBondContact O-CB 3Å; K600-L603 PolarHBondContact O-N 3.45Å; Q601-L603 VanDerWaalsContact C-N 3.32Å
604	L	88.9	Confident	89.5	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-79.2	-20.2	-172.6	-65.4	176.2	0	0	0	114.9	F527 V530 L595 K600 H606 L607 V608 L613	F527-L604 HydrophobicContact CE2-CD2 4.37Å; V530-L604 HydrophobicContact CG1-CD1 3.81Å; L595-L604 HydrophobicContact CB-CD1 4.41Å; L595-L604 WeakPolarHBondContact O-CD1 3.07Å; K600-L604 PolarHBondContact O-N 3.4Å; L604-H606 PolarHBondContact O-N 2.93Å; L604-H606 VanDerWaalsContact O-N 3.12Å; L604-L607 HydrophobicContact CD2-CD1 4.18Å; L604-L607 PolarHBondContact O-N 2.88Å; L604-V608 PolarHBondContact O-N 2.89Å; L604-L613 HydrophobicContact CB-CD1 3.87Å; L604-L613 HydrophobicContact CB-CD2 4.25Å; L604-L613 HydrophobicContact CD1-CD2 4.3Å
605	R	86.2	Confident	89.5	Confident	133 Å²	133	56.6 Å²	56.6	50%	0.502	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-24.4	178.7	-89.9	173.5	-168.1	172.9	7.4	113.6	Q601 A610 L613	Q601-R605 HydrophobicContact CG-CG 4.23Å; Q601-R605 WeakPolarHBondContact O-CB 3.46Å; Q601-R605 WeakPolarHBondContact O-CG 3.08Å; Q601-R605 PolarHBondContact O-N 3.05Å; Q601-R605 VanDerWaalsContact O-N 3.07Å; R605-A610 HydrophobicContact CG-CB 4.46Å; R605-L613 HydrophobicContact CG-CD1 4.45Å
606	H	84.8	Confident	89.5	Confident	110 Å²	110	56.6 Å²	56.6	51%	0.509	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-15.6	177.5	-64.2	-82.1	0	0	0	113	V450 H454 K602 L604	V450-H606 HydrophobicContact CG1-CB 3.76Å; V450-H606 WeakPolarHBondContact CG1-CD2 3.27Å; V450-H606 VanDerWaalsContact CG1-CG 3.48Å; H454-H606 PolarHBondContact CD2-O 2.9Å; K602-H606 PolarHBondContact O-CD2 3.22Å; L604-H606 PolarHBondContact O-N 2.93Å; L604-H606 VanDerWaalsContact O-N 3.12Å
607	L	86.8	Confident	89.4	Confident	8 Å²	8	57.5 Å²	57.5	4%	0.042	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-29.3	-177.5	-54.7	176.4	0	0	0	112.6	L453 H454 R457 F527 L531 L604	L453-L607 HydrophobicContact CB-CD1 3.97Å; L453-L607 HydrophobicContact CB-CD2 4.39Å; L453-L607 HydrophobicContact CD1-CD1 4.41Å; H454-L607 HydrophobicContact CB-CD2 4.08Å; R457-L607 HydrophobicContact CB-CD2 4.49Å; R457-L607 PolarHBondContact NE-O 3.29Å; F527-L607 HydrophobicContact CZ-CD1 4.22Å; L531-L607 HydrophobicContact CD2-CB 3.63Å; L531-L607 HydrophobicContact CD2-CD1 3.94Å; L531-L607 HydrophobicContact CD2-CG 4.42Å; L604-L607 HydrophobicContact CD2-CD1 4.18Å; L604-L607 PolarHBondContact O-N 2.88Å
608	V	88.1	Confident	89.4	Confident	3 Å²	3	65.1 Å²	65.1	2%	0.018	32%	0.317	C	S	.	.	S	Bend	trans	-137.4	138.3	-172.1	-172	0	0	0	0	110.3	L531 L604 A610 A612 L613	L531-V608 HydrophobicContact CD2-CG2 3.6Å; L604-V608 PolarHBondContact O-N 2.89Å; V608-A610 PolarHBondContact O-N 2.76Å; V608-A612 HydrophobicContact CG1-CB 4Å; V608-L613 HydrophobicContact CB-CD1 4.31Å; V608-L613 HydrophobicContact CB-CD2 4.03Å; V608-L613 HydrophobicContact CB-CG 4Å; V608-L613 HydrophobicContact CG1-CD2 4.05Å; V608-L613 HydrophobicContact CG1-CG 4Å; V608-L613 HydrophobicContact CG2-CD2 4.46Å
609	P	90.4	Very high	89.6	Confident	72 Å²	72	58.5 Å²	58.5	47%	0.468	29%	0.292	S	S	.	.			trans	-52.6	135.1	175.2	-26.9	34.6	0	0	0	113.2	A611 A612 L613	P609-A611 PolarHBondContact O-N 3.07Å; P609-A611 VanDerWaalsContact O-N 3.1Å; P609-A612 HydrophobicContact CB-CB 4.43Å; P609-A612 WeakPolarHBondContact O-CB 3.37Å; P609-A612 PolarHBondContact O-N 2.78Å; P609-L613 PolarHBondContact O-N 2.93Å
610	A	89.4	Confident	90	Very high	42 Å²	42	55 Å²	55	35%	0.347	26%	0.263	S	S	.	.	H	α-helix	trans	-61.5	-24.6	-177.1	0	0	0	0	0	114	R605 V608 R614	R605-A610 HydrophobicContact CG-CB 4.46Å; V608-A610 PolarHBondContact O-N 2.76Å; A610-R614 WeakPolarHBondContact O-CG 3.05Å; A610-R614 PolarHBondContact O-N 3.1Å; A610-R614 PolarHBondContact O-NE 2.58Å
611	A	91.3	Very high	89.9	Confident	60 Å²	60	57 Å²	57	50%	0.496	27%	0.269	S	S	.	.	H	α-helix	trans	-69.3	-44.8	173.9	0	0	0	0	0	111.8	P609 R614 R615	P609-A611 PolarHBondContact O-N 3.07Å; P609-A611 VanDerWaalsContact O-N 3.1Å; A611-R614 PolarHBondContact O-N 3.09Å; A611-R615 PolarHBondContact O-N 3.4Å
612	A	91.3	Very high	90	Very high	5 Å²	5	59 Å²	59	4%	0.041	29%	0.289	C	S	.	.	H	α-helix	trans	-61.9	-46.3	177.3	0	0	0	0	0	111.6	D533 V608 P609 R614 R615 K616	D533-A612 WeakPolarHBondContact OD1-CB 3.24Å; V608-A612 HydrophobicContact CG1-CB 4Å; P609-A612 HydrophobicContact CB-CB 4.43Å; P609-A612 WeakPolarHBondContact O-CB 3.37Å; P609-A612 PolarHBondContact O-N 2.78Å; A612-R614 VanDerWaalsContact C-N 3.33Å; A612-R614 PolarHBondContact O-N 2.99Å; A612-R615 WeakPolarHBondContact O-CB 3.27Å; A612-R615 PolarHBondContact O-N 2.69Å; A612-K616 WeakPolarHBondContact O-CG 3.23Å; A612-K616 PolarHBondContact O-N 3.21Å
613	L	92	Very high	90.1	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-58.4	-42.5	175.7	-69.4	176.6	0	0	0	112.5	V530 L596 L604 R605 V608 P609 R617	V530-L613 HydrophobicContact CG1-CD2 3.91Å; L596-L613 HydrophobicContact CD2-CD2 4.14Å; L604-L613 HydrophobicContact CB-CD1 3.87Å; L604-L613 HydrophobicContact CB-CD2 4.25Å; L604-L613 HydrophobicContact CD1-CD2 4.3Å; R605-L613 HydrophobicContact CG-CD1 4.45Å; V608-L613 HydrophobicContact CB-CD1 4.31Å; V608-L613 HydrophobicContact CB-CD2 4.03Å; V608-L613 HydrophobicContact CB-CG 4Å; V608-L613 HydrophobicContact CG1-CD2 4.05Å; V608-L613 HydrophobicContact CG1-CG 4Å; V608-L613 HydrophobicContact CG2-CD2 4.46Å; P609-L613 PolarHBondContact O-N 2.93Å; L613-R617 WeakPolarHBondContact O-CB 3.35Å; L613-R617 PolarHBondContact O-N 3.17Å
614	R	92.1	Very high	90.1	Very high	160 Å²	160	52.5 Å²	52.5	60%	0.604	26%	0.261	S	S	*	.	H	α-helix	trans	-64	-43	176.3	-77.7	-176.3	-70.1	155.1	-4.3	112	A610 A611 A612 K618	A610-R614 WeakPolarHBondContact O-CG 3.05Å; A610-R614 PolarHBondContact O-N 3.1Å; A610-R614 PolarHBondContact O-NE 2.58Å; A611-R614 PolarHBondContact O-N 3.09Å; A612-R614 VanDerWaalsContact C-N 3.33Å; A612-R614 PolarHBondContact O-N 2.99Å; R614-K618 WeakPolarHBondContact O-CB 3.42Å; R614-K618 PolarHBondContact O-N 2.75Å
615	R	94.1	Very high	89.8	Confident	99 Å²	99	56 Å²	56	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-60	-54.2	176.2	173.7	178.7	60.3	97.3	-4.7	111.2	D533 T537 A611 A612 R617 K618 A619	D533-R615 PolarHBondContact O-NH2 3.33Å; D533-R615 IonicContact OD1-NH2 3.96Å; D533-R615 PolarHBondContact OD1-NH2 3.17Å; T537-R615 HydrophobicContact CG2-CG 4.05Å; A611-R615 PolarHBondContact O-N 3.4Å; A612-R615 WeakPolarHBondContact O-CB 3.27Å; A612-R615 PolarHBondContact O-N 2.69Å; R615-R617 PolarHBondContact O-N 3.43Å; R615-K618 PolarHBondContact O-N 2.94Å; R615-A619 PolarHBondContact O-N 3.3Å; R615-A619 VanDerWaalsContact O-N 3.09Å
616	K	94.8	Very high	89.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-46.7	-179.7	-69.4	-173.4	179.7	-177.7	0	111.9	L529 V530 D532 L540 L596 A612 K618 A619 L620	L529-K616 WeakPolarHBondContact O-CE 3.34Å; L529-K616 PolarHBondContact O-NZ 3.41Å; V530-K616 PolarHBondContact O-NZ 3.28Å; D532-K616 PolarHBondContact O-NZ 3.48Å; L540-K616 HydrophobicContact CD1-CB 4.47Å; L540-K616 HydrophobicContact CD1-CD 4.07Å; L540-K616 HydrophobicContact CD1-CG 4.39Å; L540-K616 HydrophobicContact CD2-CB 3.55Å; L540-K616 HydrophobicContact CD2-CD 4.44Å; L540-K616 HydrophobicContact CD2-CG 3.85Å; L540-K616 WeakPolarHBondContact CD2-O 3.35Å; L596-K616 HydrophobicContact CD1-CB 4.01Å; L596-K616 HydrophobicContact CD2-CB 4.16Å; A612-K616 WeakPolarHBondContact O-CG 3.23Å; A612-K616 PolarHBondContact O-N 3.21Å; K616-K618 PolarHBondContact O-N 3.38Å; K616-A619 PolarHBondContact O-N 3.08Å; K616-L620 WeakPolarHBondContact O-CB 3.42Å; K616-L620 PolarHBondContact O-N 3.42Å
617	R	92.8	Very high	89.9	Confident	20 Å²	20	48.7 Å²	48.7	8%	0.075	26%	0.258	C	S	.	.	H	α-helix	trans	-60.8	-44.8	176.8	-179.4	-172.9	-69.7	168.3	-2.6	113.3	L596 S597 L613 R615 A619 L620 W621	L596-R617 PolarHBondContact O-NE 3.12Å; L596-R617 PolarHBondContact O-NH2 3.43Å; S597-R617 PolarHBondContact O-NH2 2.75Å; L613-R617 WeakPolarHBondContact O-CB 3.35Å; L613-R617 PolarHBondContact O-N 3.17Å; R615-R617 PolarHBondContact O-N 3.43Å; R617-A619 VanDerWaalsContact C-N 3.32Å; R617-A619 PolarHBondContact O-N 2.88Å; R617-L620 PolarHBondContact O-N 2.96Å; R617-W621 VanDerWaalsContact CD-CZ2 3.44Å; R617-W621 HydrophobicContact CG-CD2 3.72Å; R617-W621 VanDerWaalsContact CG-CE2 3.42Å; R617-W621 HydrophobicContact CG-CE3 3.85Å; R617-W621 HydrophobicContact CG-CH2 3.59Å; R617-W621 HydrophobicContact CG-CZ2 3.36Å; R617-W621 HydrophobicContact CG-CZ3 3.78Å; R617-W621 VanDerWaalsContact O-CG 3.29Å; R617-W621 PolarHBondContact O-N 2.7Å
618	K	92.7	Very high	89.8	Confident	165 Å²	165	48.4 Å²	48.4	72%	0.717	26%	0.256	S	S	*	.	H	α-helix	trans	-60.6	-43.9	177.5	-176.4	-177.3	177.2	-174.6	0	110.9	R614 R615 K616 A622	R614-K618 WeakPolarHBondContact O-CB 3.42Å; R614-K618 PolarHBondContact O-N 2.75Å; R615-K618 PolarHBondContact O-N 2.94Å; K616-K618 PolarHBondContact O-N 3.38Å; K618-A622 WeakPolarHBondContact O-CB 3.11Å; K618-A622 PolarHBondContact O-N 3.32Å; K618-A622 VanDerWaalsContact O-N 3.09Å
619	A	93.1	Very high	89.5	Confident	21 Å²	21	54.2 Å²	54.2	17%	0.174	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-48.6	177.9	0	0	0	0	0	111.8	T537 L541 R615 K616 R617 W621 A622 H623	T537-A619 HydrophobicContact CG2-CB 3.55Å; L541-A619 HydrophobicContact CD1-CB 4.32Å; R615-A619 PolarHBondContact O-N 3.3Å; R615-A619 VanDerWaalsContact O-N 3.09Å; K616-A619 PolarHBondContact O-N 3.08Å; R617-A619 VanDerWaalsContact C-N 3.32Å; R617-A619 PolarHBondContact O-N 2.88Å; A619-W621 PolarHBondContact O-N 3.43Å; A619-A622 PolarHBondContact O-N 2.93Å; A619-H623 WeakPolarHBondContact O-CB 3.36Å; A619-H623 PolarHBondContact O-N 3.33Å
620	L	92.5	Very high	89.2	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-55.7	-49.3	177.6	177.2	63.7	0	0	0	112.5	L541 F544 L592 L596 K616 R617 H623 L624	L541-L620 HydrophobicContact CD2-CB 4.21Å; L541-L620 HydrophobicContact CD2-CD1 3.73Å; F544-L620 HydrophobicContact CE1-CD1 4.27Å; F544-L620 HydrophobicContact CE2-CD1 3.6Å; F544-L620 HydrophobicContact CZ-CD1 3.4Å; L592-L620 HydrophobicContact CD2-CD1 3.97Å; L592-L620 HydrophobicContact CD2-CD2 4.43Å; L592-L620 HydrophobicContact CG-CD2 4.3Å; L596-L620 HydrophobicContact CB-CD2 4.11Å; L596-L620 HydrophobicContact CD1-CB 4.35Å; L596-L620 HydrophobicContact CD1-CD2 3.84Å; K616-L620 WeakPolarHBondContact O-CB 3.42Å; K616-L620 PolarHBondContact O-N 3.42Å; R617-L620 PolarHBondContact O-N 2.96Å; L620-H623 WeakPolarHBondContact O-CB 3.5Å; L620-H623 PolarHBondContact O-N 3.18Å; L620-L624 HydrophobicContact CD1-CD1 4.33Å; L620-L624 HydrophobicContact CD1-CG 4.14Å; L620-L624 HydrophobicContact CG-CD1 4.18Å; L620-L624 HydrophobicContact CG-CG 4.39Å; L620-L624 WeakPolarHBondContact O-CG 3.4Å; L620-L624 PolarHBondContact O-N 3.28Å
621	W	86.8	Confident	89	Confident	85 Å²	85	50.9 Å²	50.9	32%	0.322	26%	0.259	S	S	.	.	H	α-helix	trans	-68.4	-39.4	-178.2	-64.1	-19.7	0	0	0	113.1	R617 A619 H623 F625	R617-W621 VanDerWaalsContact CD-CZ2 3.44Å; R617-W621 HydrophobicContact CG-CD2 3.72Å; R617-W621 VanDerWaalsContact CG-CE2 3.42Å; R617-W621 HydrophobicContact CG-CE3 3.85Å; R617-W621 HydrophobicContact CG-CH2 3.59Å; R617-W621 HydrophobicContact CG-CZ2 3.36Å; R617-W621 HydrophobicContact CG-CZ3 3.78Å; R617-W621 VanDerWaalsContact O-CG 3.29Å; R617-W621 PolarHBondContact O-N 2.7Å; A619-W621 PolarHBondContact O-N 3.43Å; W621-H623 PolarHBondContact O-N 3.06Å; W621-F625 WeakPolarHBondContact O-CB 3.45Å; W621-F625 PolarHBondContact O-N 2.92Å; W621-F625 VanDerWaalsContact O-N 3.16Å
622	A	88.5	Confident	88.6	Confident	64 Å²	64	48.3 Å²	48.3	53%	0.529	24%	0.237	S	C	.	.	H	α-helix	trans	-58.7	-42.3	173.4	0	0	0	0	0	110.6	K618 A619 S626	K618-A622 WeakPolarHBondContact O-CB 3.11Å; K618-A622 PolarHBondContact O-N 3.32Å; K618-A622 VanDerWaalsContact O-N 3.09Å; A619-A622 PolarHBondContact O-N 2.93Å; A622-S626 VanDerWaalsContact O-CB 3.31Å; A622-S626 WeakPolarHBondContact O-CB 3.4Å; A622-S626 PolarHBondContact O-N 3.26Å; A622-S626 VanDerWaalsContact O-N 3.08Å; A622-S626 PolarHBondContact O-OG 2.92Å
623	H	88.6	Confident	88.1	Confident	44 Å²	44	53.8 Å²	53.8	20%	0.204	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-58.1	176.8	-173.5	79.5	0	0	0	112.1	L541 F544 A619 L620 W621 F625 S626 S627	L541-H623 HydrophobicContact CD1-CB 3.71Å; L541-H623 HydrophobicContact CD2-CB 4.19Å; F544-H623 WeakPolarHBondContact CB-NE2 3.49Å; F544-H623 AromaticContact CD1-CD2 3.89Å; F544-H623 AromaticContact CG-CD2 3.69Å; F544-H623 AromaticContact CG-NE2 3.75Å; A619-H623 WeakPolarHBondContact O-CB 3.36Å; A619-H623 PolarHBondContact O-N 3.33Å; L620-H623 WeakPolarHBondContact O-CB 3.5Å; L620-H623 PolarHBondContact O-N 3.18Å; W621-H623 PolarHBondContact O-N 3.06Å; H623-F625 VanDerWaalsContact C-N 3.26Å; H623-F625 PolarHBondContact O-N 3.11Å; H623-F625 VanDerWaalsContact O-N 3.16Å; H623-S626 PolarHBondContact O-N 2.9Å; H623-S626 PolarHBondContact O-OG 3.5Å; H623-S627 PolarHBondContact CD2-OG 3.02Å; H623-S627 PolarHBondContact CE1-OG 3.41Å; H623-S627 PolarHBondContact NE2-OG 3.46Å; H623-S627 WeakPolarHBondContact O-CB 3.41Å; H623-S627 PolarHBondContact O-N 3.25Å; H623-S627 PolarHBondContact O-OG 3.34Å
624	L	87.2	Confident	87.8	Confident	8 Å²	8	56.8 Å²	56.8	4%	0.042	28%	0.281	C	S	.	.	H	α-helix	trans	-49.4	-46.2	-179.5	-72.8	176.4	0	0	0	112.6	F544 W547 L620 L628 C658	F544-L624 HydrophobicContact CD1-CD2 4.18Å; F544-L624 HydrophobicContact CE1-CD2 3.45Å; F544-L624 VanDerWaalsContact CE1-CD2 3.45Å; F544-L624 HydrophobicContact CE1-CG 4.49Å; F544-L624 HydrophobicContact CZ-CD2 4.16Å; W547-L624 HydrophobicContact CH2-CD2 3.45Å; W547-L624 VanDerWaalsContact CH2-CD2 3.45Å; W547-L624 HydrophobicContact CZ3-CD2 3.5Å; L620-L624 HydrophobicContact CD1-CD1 4.33Å; L620-L624 HydrophobicContact CD1-CG 4.14Å; L620-L624 HydrophobicContact CG-CD1 4.18Å; L620-L624 HydrophobicContact CG-CG 4.39Å; L620-L624 WeakPolarHBondContact O-CG 3.4Å; L620-L624 PolarHBondContact O-N 3.28Å; L624-L628 WeakPolarHBondContact O-CB 3.19Å; L624-L628 PolarHBondContact O-N 2.93Å; L624-C658 HydrophobicContact CD2-CB 4.23Å
625	F	83.4	Confident	87.4	Confident	76 Å²	76	50 Å²	50	33%	0.333	26%	0.256	S	S	.	.	H	α-helix	trans	-69.3	-42.4	-179.9	-174.7	-97.4	0	0	0	112.3	W621 H623 S627 R629 L670	W621-F625 WeakPolarHBondContact O-CB 3.45Å; W621-F625 PolarHBondContact O-N 2.92Å; W621-F625 VanDerWaalsContact O-N 3.16Å; H623-F625 VanDerWaalsContact C-N 3.26Å; H623-F625 PolarHBondContact O-N 3.11Å; H623-F625 VanDerWaalsContact O-N 3.16Å; F625-S627 VanDerWaalsContact C-N 3.33Å; F625-R629 VanDerWaalsContact O-CB 3.32Å; F625-R629 WeakPolarHBondContact O-CB 3.27Å; F625-R629 PolarHBondContact O-N 3.31Å; F625-L670 HydrophobicContact CD2-CB 4.25Å; F625-L670 HydrophobicContact CE2-CB 4.13Å; F625-L670 WeakPolarHBondContact CE2-O 3.18Å
626	S	85.8	Confident	86.8	Confident	66 Å²	66	50 Å²	50	46%	0.462	27%	0.269	S	S	.	.	H	α-helix	trans	-62.3	-42.3	176.1	74	0	0	0	0	111.6	A622 H623 G630	A622-S626 VanDerWaalsContact O-CB 3.31Å; A622-S626 WeakPolarHBondContact O-CB 3.4Å; A622-S626 PolarHBondContact O-N 3.26Å; A622-S626 VanDerWaalsContact O-N 3.08Å; A622-S626 PolarHBondContact O-OG 2.92Å; H623-S626 PolarHBondContact O-N 2.9Å; H623-S626 PolarHBondContact O-OG 3.5Å; S626-G630 PolarHBondContact O-N 3.22Å
627	S	86	Confident	86.4	Confident	22 Å²	22	55.5 Å²	55.5	15%	0.154	29%	0.29	C	S	.	.	H	α-helix	trans	-68.2	-44.8	179.2	-54.1	0	0	0	0	111	H623 F625 R629 G630 Y631 M655	H623-S627 PolarHBondContact CD2-OG 3.02Å; H623-S627 PolarHBondContact CE1-OG 3.41Å; H623-S627 PolarHBondContact NE2-OG 3.46Å; H623-S627 WeakPolarHBondContact O-CB 3.41Å; H623-S627 PolarHBondContact O-N 3.25Å; H623-S627 PolarHBondContact O-OG 3.34Å; F625-S627 VanDerWaalsContact C-N 3.33Å; S627-R629 PolarHBondContact O-N 2.86Å; S627-G630 PolarHBondContact O-N 3.48Å; S627-Y631 WeakPolarHBondContact O-CB 3.49Å; S627-Y631 PolarHBondContact O-N 3.19Å; S627-M655 VanDerWaalsContact C-CE 3.44Å
628	L	84.5	Confident	86.2	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-59.3	-47.6	176.1	-174.9	69.2	0	0	0	111.8	L624 L632 F652 M655 I659 A671	L624-L628 WeakPolarHBondContact O-CB 3.19Å; L624-L628 PolarHBondContact O-N 2.93Å; L628-L632 HydrophobicContact CD1-CD1 4.27Å; L628-L632 HydrophobicContact CG-CD1 4.23Å; L628-L632 WeakPolarHBondContact O-CB 3.33Å; L628-L632 WeakPolarHBondContact O-CG 3.25Å; L628-L632 PolarHBondContact O-N 3.44Å; L628-F652 HydrophobicContact CD1-CD2 3.97Å; L628-F652 HydrophobicContact CD1-CE2 3.65Å; L628-M655 HydrophobicContact CB-CE 3.79Å; L628-M655 HydrophobicContact CD1-CB 4.4Å; L628-M655 HydrophobicContact CD1-CE 3.96Å; L628-M655 HydrophobicContact CD1-SD 4.2Å; L628-I659 HydrophobicContact CD2-CD1 4.07Å; L628-A671 HydrophobicContact CD2-CB 3.65Å
629	R	82.9	Confident	85.9	Confident	124 Å²	124	56.8 Å²	56.8	47%	0.468	30%	0.304	S	S	.	.	H	α-helix	trans	-67.5	-38.6	179.2	-171.1	179.6	-177.2	-164	-0.2	111.9	F625 S627 K633	F625-R629 VanDerWaalsContact O-CB 3.32Å; F625-R629 WeakPolarHBondContact O-CB 3.27Å; F625-R629 PolarHBondContact O-N 3.31Å; S627-R629 PolarHBondContact O-N 2.86Å; R629-K633 HydrophobicContact CG-CD 4.42Å; R629-K633 WeakPolarHBondContact O-CB 3.42Å; R629-K633 VanDerWaalsContact O-CG 3.22Å; R629-K633 WeakPolarHBondContact O-CG 3.16Å; R629-K633 PolarHBondContact O-N 2.92Å
630	G	84	Confident	85.3	Confident	37 Å²	37	58.3 Å²	58.3	38%	0.381	31%	0.311	S	S	.	.	H	α-helix	trans	-64	-50.4	176.1	0	0	0	0	0	111.6	S626 S627 L632 K633 S634	S626-G630 PolarHBondContact O-N 3.22Å; S627-G630 PolarHBondContact O-N 3.48Å; G630-L632 PolarHBondContact O-N 3.48Å; G630-K633 WeakPolarHBondContact O-CB 3.35Å; G630-K633 PolarHBondContact O-N 3.39Å; G630-K633 VanDerWaalsContact O-N 3.13Å; G630-S634 PolarHBondContact O-N 2.84Å; G630-S634 PolarHBondContact O-OG 3Å
631	Y	84.7	Confident	84.8	Confident	7 Å²	7	66.4 Å²	66.4	3%	0.027	35%	0.349	C	S	.	.	H	α-helix	trans	-57.5	-49	178	-180	-91.2	0	0	0	112.2	P549 S627 K633 S634 L635 M649 F652 M655	P549-Y631 HydrophobicContact CG-CD2 4.3Å; S627-Y631 WeakPolarHBondContact O-CB 3.49Å; S627-Y631 PolarHBondContact O-N 3.19Å; Y631-K633 PolarHBondContact O-N 3.04Å; Y631-S634 PolarHBondContact O-N 3.26Å; Y631-S634 PolarHBondContact O-OG 3.36Å; Y631-L635 HydrophobicContact CD1-CD1 4.14Å; Y631-L635 HydrophobicContact CE1-CD1 3.51Å; Y631-L635 HydrophobicContact CE1-CG 4.17Å; Y631-L635 WeakPolarHBondContact O-CG 3.38Å; Y631-L635 PolarHBondContact O-N 3.32Å; Y631-M649 WeakPolarHBondContact OH-CB 3.42Å; Y631-M649 VanDerWaalsContact OH-CG 3.26Å; Y631-M649 WeakPolarHBondContact OH-CG 3.44Å; Y631-M649 PolarHBondContact OH-N 2.93Å; Y631-F652 HydrophobicContact CD1-CD2 4.26Å; Y631-F652 HydrophobicContact CE1-CB 3.88Å; Y631-F652 HydrophobicContact CE1-CD2 4.18Å; Y631-F652 HydrophobicContact CE1-CG 4.44Å; Y631-M655 HydrophobicContact CD1-SD 4.29Å; Y631-M655 HydrophobicContact CG-SD 4.18Å
632	L	82	Confident	84.6	Confident	7 Å²	7	66.7 Å²	66.7	4%	0.037	36%	0.364	C	S	.	.	H	α-helix	trans	-71	-18.5	178.6	-68	174.6	0	0	0	114.2	L628 G630 L635 F652 I675	L628-L632 HydrophobicContact CD1-CD1 4.27Å; L628-L632 HydrophobicContact CG-CD1 4.23Å; L628-L632 WeakPolarHBondContact O-CB 3.33Å; L628-L632 WeakPolarHBondContact O-CG 3.25Å; L628-L632 PolarHBondContact O-N 3.44Å; G630-L632 PolarHBondContact O-N 3.48Å; L632-L635 HydrophobicContact CD2-CD1 4.33Å; L632-F652 HydrophobicContact CD1-CE2 4.12Å; L632-F652 HydrophobicContact CD2-CD2 4.06Å; L632-F652 HydrophobicContact CD2-CE2 3.78Å; L632-F652 HydrophobicContact CG-CE2 4.23Å; L632-I675 HydrophobicContact CD1-CB 4.13Å; L632-I675 HydrophobicContact CD1-CG1 3.64Å; L632-I675 HydrophobicContact CD1-CG2 4.37Å
633	K	82.5	Confident	84.7	Confident	120 Å²	120	65 Å²	65	52%	0.522	34%	0.344	S	S	.	.	H	α-helix	trans	-82.3	-31.9	173.6	-82.1	179.6	173.8	-169	0	112.4	R629 G630 Y631	R629-K633 HydrophobicContact CG-CD 4.42Å; R629-K633 WeakPolarHBondContact O-CB 3.42Å; R629-K633 VanDerWaalsContact O-CG 3.22Å; R629-K633 WeakPolarHBondContact O-CG 3.16Å; R629-K633 PolarHBondContact O-N 2.92Å; G630-K633 WeakPolarHBondContact O-CB 3.35Å; G630-K633 PolarHBondContact O-N 3.39Å; G630-K633 VanDerWaalsContact O-N 3.13Å; Y631-K633 PolarHBondContact O-N 3.04Å
634	S	84.4	Confident	84.9	Confident	65 Å²	65	64 Å²	64	46%	0.455	34%	0.341	S	S	.	.	H	α-helix	trans	-81	-21.5	-178.1	55.8	0	0	0	0	113.5	P549 G630 Y631	P549-S634 WeakPolarHBondContact CG-OG 3.41Å; G630-S634 PolarHBondContact O-N 2.84Å; G630-S634 PolarHBondContact O-OG 3Å; Y631-S634 PolarHBondContact O-N 3.26Å; Y631-S634 PolarHBondContact O-OG 3.36Å
635	L	83.2	Confident	85.1	Confident	16 Å²	16	65.2 Å²	65.2	8%	0.084	35%	0.346	C	S	.	.	S	Bend	trans	-65.6	137.4	176.2	-69.7	174.3	0	0	0	111.9	Y631 L632 Q647	Y631-L635 HydrophobicContact CD1-CD1 4.14Å; Y631-L635 HydrophobicContact CE1-CD1 3.51Å; Y631-L635 HydrophobicContact CE1-CG 4.17Å; Y631-L635 WeakPolarHBondContact O-CG 3.38Å; Y631-L635 PolarHBondContact O-N 3.32Å; L632-L635 HydrophobicContact CD2-CD1 4.33Å; L635-Q647 WeakPolarHBondContact CD1-O 3.28Å; L635-Q647 WeakPolarHBondContact CD2-O 3.13Å
636	P	83.3	Confident	85.6	Confident	99 Å²	99	61.6 Å²	61.6	64%	0.643	33%	0.331	S	S	*	.			trans	-61.2	140.6	176.5	26.8	-33.6	0	0	0	110.1
637	R	86.1	Confident	85.8	Confident	116 Å²	116	63.1 Å²	63.1	44%	0.438	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.6	-180	-73.1	173.5	-173.7	179.7	4.8	109.6	N644 Q645 V646	R637-N644 WeakPolarHBondContact CB-OD1 3.41Å; R637-N644 WeakPolarHBondContact CD-OD1 3.33Å; R637-N644 WeakPolarHBondContact CG-OD1 3.44Å; R637-Q645 WeakPolarHBondContact CA-O 3.25Å; R637-V646 HydrophobicContact CG-CG1 3.8Å
638	V	87.9	Confident	85.8	Confident	77 Å²	77	62.1 Å²	62.1	47%	0.467	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.4	173.8	-174.2	0	0	0	0	107.3	V640 Q645	V638-V640 HydrophobicContact CB-CG2 4.33Å; V638-V640 HydrophobicContact CG1-CG2 3.79Å; V638-V640 PolarHBondContact O-N 3Å; V638-Q645 PolarHBondContact N-O 3.3Å; V638-Q645 VanDerWaalsContact N-O 3.07Å; V638-Q645 WeakPolarHBondContact O-CB 3.46Å; V638-Q645 PolarHBondContact O-N 3.3Å
639	Q	86.2	Confident	85.8	Confident	135 Å²	135	66.2 Å²	66.2	63%	0.631	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	111.5	167.5	-71.9	-67.3	-19.3	0	0	107.4	F643	Q639-F643 WeakPolarHBondContact CA-O 3.29Å; Q639-F643 PolarHBondContact OE1-O 2.9Å
640	V	81.3	Confident	85.8	Confident	53 Å²	53	63 Å²	63	32%	0.321	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	107.2	174.5	-177.5	0	0	0	0	106.7	V638 S642 F643 Q645	V638-V640 HydrophobicContact CB-CG2 4.33Å; V638-V640 HydrophobicContact CG1-CG2 3.79Å; V638-V640 PolarHBondContact O-N 3Å; V640-S642 PolarHBondContact O-N 3.19Å; V640-F643 PolarHBondContact N-O 3.46Å; V640-F643 WeakPolarHBondContact O-CA 3.11Å; V640-F643 WeakPolarHBondContact O-CB 3.33Å; V640-F643 PolarHBondContact O-N 3.45Å; V640-Q645 HydrophobicContact CG2-CB 4.3Å
641	E	81.1	Confident	85.9	Confident	171 Å²	171	63.1 Å²	63.1	80%	0.799	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	-105.2	-174.1	-56.5	172.8	177.7	0	0	112.1
642	S	84.1	Confident	86.1	Confident	90 Å²	90	62.8 Å²	62.8	63%	0.629	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	3.2	177.1	63.6	0	0	0	0	113.7	V640 N678	V640-S642 PolarHBondContact O-N 3.19Å; S642-N678 PolarHBondContact O-ND2 2.92Å
643	F	90.2	Very high	86.4	Confident	28 Å²	28	62.7 Å²	62.7	12%	0.123	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	131.5	-176.7	-64	-75.9	0	0	0	112.2	Q639 V640 Q645 Y679 A707 V732	Q639-F643 WeakPolarHBondContact CA-O 3.29Å; Q639-F643 PolarHBondContact OE1-O 2.9Å; V640-F643 PolarHBondContact N-O 3.46Å; V640-F643 WeakPolarHBondContact O-CA 3.11Å; V640-F643 WeakPolarHBondContact O-CB 3.33Å; V640-F643 PolarHBondContact O-N 3.45Å; F643-Q645 PolarHBondContact O-N 2.76Å; F643-Y679 HydrophobicContact CB-CD2 3.95Å; F643-Y679 HydrophobicContact CB-CG 4.39Å; F643-Y679 HydrophobicContact CD1-CD2 4.18Å; F643-Y679 HydrophobicContact CD2-CD2 4.21Å; F643-Y679 AromaticContact CG-CD2 3.86Å; F643-Y679 HydrophobicContact CG-CD2 3.86Å; F643-A707 HydrophobicContact CD1-CB 3.99Å; F643-A707 HydrophobicContact CE1-CB 3.79Å; F643-A707 HydrophobicContact CZ-CB 4.33Å; F643-V732 HydrophobicContact CE2-CG2 4.15Å; F643-V732 HydrophobicContact CZ-CG2 3.76Å
644	N	91.1	Very high	86.7	Confident	25 Å²	25	57.9 Å²	57.9	13%	0.134	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	92.8	161.9	178.4	29.9	0	0	0	108.6	R637 A677 N678 Y679	R637-N644 WeakPolarHBondContact CB-OD1 3.41Å; R637-N644 WeakPolarHBondContact CD-OD1 3.33Å; R637-N644 WeakPolarHBondContact CG-OD1 3.44Å; N644-A677 WeakPolarHBondContact O-CB 3.4Å; N644-N678 PolarHBondContact N-OD1 3.07Å; N644-N678 PolarHBondContact O-N 3.19Å; N644-N678 PolarHBondContact O-OD1 2.88Å; N644-Y679 PolarHBondContact O-N 3.46Å
645	Q	92.9	Very high	87	Confident	32 Å²	32	54.9 Å²	54.9	15%	0.15	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	136	-177.2	178.8	179.5	72.3	0	0	112.1	R637 V638 V640 F643 Y679	R637-Q645 WeakPolarHBondContact CA-O 3.25Å; V638-Q645 PolarHBondContact N-O 3.3Å; V638-Q645 VanDerWaalsContact N-O 3.07Å; V638-Q645 WeakPolarHBondContact O-CB 3.46Å; V638-Q645 PolarHBondContact O-N 3.3Å; V640-Q645 HydrophobicContact CG2-CB 4.3Å; F643-Q645 PolarHBondContact O-N 2.76Å; Q645-Y679 HydrophobicContact CB-CD1 4.2Å; Q645-Y679 HydrophobicContact CB-CG 4.08Å; Q645-Y679 HydrophobicContact CG-CD1 3.64Å; Q645-Y679 HydrophobicContact CG-CE1 4.15Å; Q645-Y679 HydrophobicContact CG-CG 4.04Å; Q645-Y679 VanDerWaalsContact NE2-CZ 3.34Å
646	V	92.5	Very high	87.4	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.1	166.6	-63.3	0	0	0	0	110.1	R637 A677 Y679 L680 K681	R637-V646 HydrophobicContact CG-CG1 3.8Å; V646-A677 HydrophobicContact CB-CB 4.17Å; V646-A677 HydrophobicContact CG1-CB 3.74Å; V646-A677 HydrophobicContact CG2-CB 3.41Å; V646-A677 VanDerWaalsContact CG2-CB 3.41Å; V646-Y679 PolarHBondContact N-O 3.37Å; V646-L680 HydrophobicContact CG2-CD2 3.55Å; V646-K681 PolarHBondContact O-N 3.24Å
647	Q	90.6	Very high	87.8	Confident	98 Å²	98	51.7 Å²	51.7	46%	0.458	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	104.8	170.6	-176.1	169.7	-11.9	0	0	109.2	L635 K681	L635-Q647 WeakPolarHBondContact CD1-O 3.28Å; L635-Q647 WeakPolarHBondContact CD2-O 3.13Å; Q647-K681 CarbonylContact C-O 3.58Å
648	A	86.4	Confident	88.1	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.008	24%	0.241	C	C	.	.			trans	-76.7	148.7	173.3	0	0	0	0	0	110.1	F652 K681 L682	A648-F652 HydrophobicContact CB-CB 3.96Å; A648-F652 HydrophobicContact CB-CD1 3.9Å; A648-F652 HydrophobicContact CB-CG 3.98Å; A648-K681 PolarHBondContact N-O 2.85Å; A648-L682 HydrophobicContact CB-CD2 3.98Å; A648-L682 HydrophobicContact CB-CG 4.01Å
649	M	84.4	Confident	88.3	Confident	88 Å²	88	42.7 Å²	42.7	43%	0.433	22%	0.22	S	C	.	.			trans	-107.8	167.8	179.3	-54.3	-65.2	-71.4	0	0	109	Y631 T651 F652	Y631-M649 WeakPolarHBondContact OH-CB 3.42Å; Y631-M649 VanDerWaalsContact OH-CG 3.26Å; Y631-M649 WeakPolarHBondContact OH-CG 3.44Å; Y631-M649 PolarHBondContact OH-N 2.93Å; M649-T651 PolarHBondContact O-N 3.49Å; M649-F652 VanDerWaalsContact O-CB 3.3Å; M649-F652 WeakPolarHBondContact O-CB 3.23Å; M649-F652 PolarHBondContact O-N 2.97Å
650	P	83	Confident	88.6	Confident	57 Å²	57	37.8 Å²	37.8	37%	0.37	20%	0.196	S	C	.	.	H	α-helix	trans	-49.2	-32.6	178	-29.7	33.9	0	0	0	115	F652 I653 W654	P650-F652 PolarHBondContact O-N 2.89Å; P650-I653 WeakPolarHBondContact O-CB 3.47Å; P650-I653 PolarHBondContact O-N 3.48Å; P650-W654 PolarHBondContact O-N 3.18Å
651	T	85.2	Confident	89.2	Confident	39 Å²	39	35.6 Å²	35.6	24%	0.239	18%	0.182	C	C	.	.	H	α-helix	trans	-54.3	-36.7	174.7	-45.9	0	0	0	0	112.5	W547 M649 I653 W654 M655	W547-T651 HydrophobicContact CB-CG2 4.29Å; W547-T651 HydrophobicContact CG-CG2 3.99Å; M649-T651 PolarHBondContact O-N 3.49Å; T651-I653 VanDerWaalsContact C-N 3.33Å; T651-I653 PolarHBondContact O-N 3.12Å; T651-W654 WeakPolarHBondContact O-CB 3.24Å; T651-W654 PolarHBondContact O-N 2.89Å; T651-M655 VanDerWaalsContact O-CG 3.27Å; T651-M655 WeakPolarHBondContact O-CG 3.41Å; T651-M655 PolarHBondContact O-N 3.37Å
652	F	89.2	Confident	89.6	Confident	1 Å²	1	27.6 Å²	27.6	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-63.7	-37.6	177.4	-177.5	-103.6	0	0	0	112.3	L628 Y631 L632 A648 M649 P650 W654 M655 L656 I675 L682	L628-F652 HydrophobicContact CD1-CD2 3.97Å; L628-F652 HydrophobicContact CD1-CE2 3.65Å; Y631-F652 HydrophobicContact CD1-CD2 4.26Å; Y631-F652 HydrophobicContact CE1-CB 3.88Å; Y631-F652 HydrophobicContact CE1-CD2 4.18Å; Y631-F652 HydrophobicContact CE1-CG 4.44Å; L632-F652 HydrophobicContact CD1-CE2 4.12Å; L632-F652 HydrophobicContact CD2-CD2 4.06Å; L632-F652 HydrophobicContact CD2-CE2 3.78Å; L632-F652 HydrophobicContact CG-CE2 4.23Å; A648-F652 HydrophobicContact CB-CB 3.96Å; A648-F652 HydrophobicContact CB-CD1 3.9Å; A648-F652 HydrophobicContact CB-CG 3.98Å; M649-F652 VanDerWaalsContact O-CB 3.3Å; M649-F652 WeakPolarHBondContact O-CB 3.23Å; M649-F652 PolarHBondContact O-N 2.97Å; P650-F652 PolarHBondContact O-N 2.89Å; F652-W654 VanDerWaalsContact C-N 3.34Å; F652-M655 WeakPolarHBondContact O-CB 3.29Å; F652-M655 PolarHBondContact O-N 2.86Å; F652-L656 HydrophobicContact CD1-CD1 3.82Å; F652-L656 HydrophobicContact CD1-CG 4.33Å; F652-L656 HydrophobicContact CE1-CD1 3.5Å; F652-L656 HydrophobicContact CE1-CD2 4.44Å; F652-L656 HydrophobicContact CE1-CG 4.08Å; F652-L656 HydrophobicContact CZ-CD1 4.15Å; F652-L656 HydrophobicContact CZ-CD2 4.27Å; F652-L656 HydrophobicContact CZ-CG 4.32Å; F652-L656 WeakPolarHBondContact O-CG 3.46Å; F652-L656 PolarHBondContact O-N 3.19Å; F652-I675 HydrophobicContact CZ-CD1 4.37Å; F652-L682 HydrophobicContact CD1-CD2 3.57Å; F652-L682 HydrophobicContact CE1-CD2 3.93Å
653	I	88.9	Confident	89.9	Confident	4 Å²	4	26.3 Å²	26.3	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-62.1	-44	174	-61.3	-61.6	0	0	0	110.1	P650 T651 M655 L656 R657 L682 C685 A687 D691 L695	P650-I653 WeakPolarHBondContact O-CB 3.47Å; P650-I653 PolarHBondContact O-N 3.48Å; T651-I653 VanDerWaalsContact C-N 3.33Å; T651-I653 PolarHBondContact O-N 3.12Å; I653-M655 VanDerWaalsContact C-N 3.31Å; I653-M655 PolarHBondContact O-N 3.33Å; I653-L656 HydrophobicContact CD1-CD1 4.46Å; I653-L656 WeakPolarHBondContact O-CB 3.35Å; I653-L656 PolarHBondContact O-N 3.11Å; I653-L656 VanDerWaalsContact O-N 3.11Å; I653-R657 HydrophobicContact CG2-CG 4.45Å; I653-R657 WeakPolarHBondContact O-CG 3.21Å; I653-R657 PolarHBondContact O-N 3.4Å; I653-L682 HydrophobicContact CD1-CD2 3.59Å; I653-L682 HydrophobicContact CG1-CD2 4.4Å; I653-C685 HydrophobicContact CG1-CB 4.1Å; I653-A687 HydrophobicContact CD1-CB 4.37Å; I653-D691 HydrophobicContact CG2-CB 4.01Å; I653-L695 HydrophobicContact CD1-CD1 4.23Å; I653-L695 HydrophobicContact CD1-CD2 4.45Å; I653-L695 HydrophobicContact CD1-CG 4.44Å
654	W	88.4	Confident	89.9	Confident	20 Å²	20	26.4 Å²	26.4	8%	0.076	13%	0.133	C	C	.	.	H	α-helix	trans	-60.3	-39	175.3	-80.4	117.2	0	0	0	113.3	D583 Q586 F587 L590 P650 T651 F652 L656 R657 C658	D583-W654 HydrophobicContact CB-CZ2 4.24Å; Q586-W654 HydrophobicContact CB-CB 4.44Å; Q586-W654 HydrophobicContact CB-CD2 3.31Å; Q586-W654 VanDerWaalsContact CB-CE2 3.47Å; Q586-W654 HydrophobicContact CB-CE3 3.46Å; Q586-W654 VanDerWaalsContact CB-CE3 3.46Å; Q586-W654 HydrophobicContact CB-CG 3.79Å; Q586-W654 HydrophobicContact CB-CH2 3.87Å; Q586-W654 HydrophobicContact CB-CZ2 3.76Å; Q586-W654 HydrophobicContact CB-CZ3 3.73Å; Q586-W654 HydrophobicContact CG-CB 4.4Å; Q586-W654 HydrophobicContact CG-CD2 3.83Å; Q586-W654 HydrophobicContact CG-CE3 4.44Å; Q586-W654 HydrophobicContact CG-CG 3.79Å; Q586-W654 HydrophobicContact CG-CZ2 4.42Å; F587-W654 AromaticContact CD1-CH2 3.93Å; F587-W654 HydrophobicContact CD1-CH2 3.93Å; F587-W654 HydrophobicContact CD1-CZ3 4.14Å; F587-W654 AromaticContact CD2-CH2 3.88Å; F587-W654 HydrophobicContact CD2-CH2 3.88Å; F587-W654 AromaticContact CE1-CH2 3.79Å; F587-W654 HydrophobicContact CE1-CH2 3.79Å; F587-W654 HydrophobicContact CE1-CZ3 4.24Å; F587-W654 AromaticContact CE2-CH2 3.74Å; F587-W654 HydrophobicContact CE2-CH2 3.74Å; F587-W654 HydrophobicContact CE2-CZ2 4.36Å; F587-W654 AromaticContact CG-CH2 3.97Å; F587-W654 HydrophobicContact CG-CH2 3.97Å; F587-W654 HydrophobicContact CG-CZ3 4.38Å; F587-W654 AromaticContact CZ-CH2 3.7Å; F587-W654 HydrophobicContact CZ-CH2 3.7Å; L590-W654 HydrophobicContact CD1-CZ3 4.02Å; P650-W654 PolarHBondContact O-N 3.18Å; T651-W654 WeakPolarHBondContact O-CB 3.24Å; T651-W654 PolarHBondContact O-N 2.89Å; F652-W654 VanDerWaalsContact C-N 3.34Å; W654-L656 VanDerWaalsContact C-N 3.33Å; W654-L656 PolarHBondContact O-N 3.08Å; W654-R657 HydrophobicContact CE3-CB 4.45Å; W654-R657 VanDerWaalsContact CH2-NH1 3.33Å; W654-R657 PolarHBondContact O-N 3.16Å; W654-C658 PolarHBondContact O-N 2.91Å; W654-C658 PolarHBondContact O-SG 2.83Å
655	M	90.8	Very high	89.8	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-63.1	-41	174.1	-61.2	171.4	89.2	0	0	111.6	W547 S627 L628 Y631 T651 F652 I653 C658 I659	W547-M655 HydrophobicContact CD2-CE 4.4Å; W547-M655 HydrophobicContact CD2-CG 3.97Å; W547-M655 HydrophobicContact CE3-CE 3.64Å; W547-M655 HydrophobicContact CE3-CG 3.82Å; W547-M655 HydrophobicContact CE3-SD 4.33Å; W547-M655 HydrophobicContact CH2-CB 4.24Å; W547-M655 HydrophobicContact CH2-CG 3.77Å; W547-M655 HydrophobicContact CZ2-CG 3.97Å; W547-M655 HydrophobicContact CZ3-CB 4.39Å; W547-M655 HydrophobicContact CZ3-CE 3.83Å; W547-M655 HydrophobicContact CZ3-CG 3.7Å; S627-M655 VanDerWaalsContact C-CE 3.44Å; L628-M655 HydrophobicContact CB-CE 3.79Å; L628-M655 HydrophobicContact CD1-CB 4.4Å; L628-M655 HydrophobicContact CD1-CE 3.96Å; L628-M655 HydrophobicContact CD1-SD 4.2Å; Y631-M655 HydrophobicContact CD1-SD 4.29Å; Y631-M655 HydrophobicContact CG-SD 4.18Å; T651-M655 VanDerWaalsContact O-CG 3.27Å; T651-M655 WeakPolarHBondContact O-CG 3.41Å; T651-M655 PolarHBondContact O-N 3.37Å; F652-M655 WeakPolarHBondContact O-CB 3.29Å; F652-M655 PolarHBondContact O-N 2.86Å; I653-M655 VanDerWaalsContact C-N 3.31Å; I653-M655 PolarHBondContact O-N 3.33Å; M655-C658 WeakPolarHBondContact O-CB 3.35Å; M655-C658 PolarHBondContact O-N 2.93Å; M655-I659 WeakPolarHBondContact O-CD1 3.43Å; M655-I659 VanDerWaalsContact O-CG1 3.31Å; M655-I659 WeakPolarHBondContact O-CG1 3.43Å; M655-I659 PolarHBondContact O-N 3.45Å
656	L	92.1	Very high	89.7	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-65.3	-42.3	175.2	-66.9	172.8	0	0	0	111.9	F652 I653 W654 C658 I659 Y660 A694 L695 V698	F652-L656 HydrophobicContact CD1-CD1 3.82Å; F652-L656 HydrophobicContact CD1-CG 4.33Å; F652-L656 HydrophobicContact CE1-CD1 3.5Å; F652-L656 HydrophobicContact CE1-CD2 4.44Å; F652-L656 HydrophobicContact CE1-CG 4.08Å; F652-L656 HydrophobicContact CZ-CD1 4.15Å; F652-L656 HydrophobicContact CZ-CD2 4.27Å; F652-L656 HydrophobicContact CZ-CG 4.32Å; F652-L656 WeakPolarHBondContact O-CG 3.46Å; F652-L656 PolarHBondContact O-N 3.19Å; I653-L656 HydrophobicContact CD1-CD1 4.46Å; I653-L656 WeakPolarHBondContact O-CB 3.35Å; I653-L656 PolarHBondContact O-N 3.11Å; I653-L656 VanDerWaalsContact O-N 3.11Å; W654-L656 VanDerWaalsContact C-N 3.33Å; W654-L656 PolarHBondContact O-N 3.08Å; L656-C658 VanDerWaalsContact C-N 3.33Å; L656-C658 PolarHBondContact O-N 3.19Å; L656-I659 PolarHBondContact O-N 3.38Å; L656-Y660 WeakPolarHBondContact O-CB 3.37Å; L656-Y660 PolarHBondContact O-N 3.46Å; L656-A694 HydrophobicContact CB-CB 4.22Å; L656-L695 HydrophobicContact CD1-CB 4.5Å; L656-L695 HydrophobicContact CD1-CD2 3.21Å; L656-L695 HydrophobicContact CD1-CG 3.69Å; L656-V698 HydrophobicContact CD2-CB 3.96Å; L656-V698 HydrophobicContact CD2-CG1 4.27Å; L656-V698 HydrophobicContact CD2-CG2 3.64Å
657	R	91.2	Very high	89.5	Confident	44 Å²	44	37.6 Å²	37.6	17%	0.166	18%	0.184	C	C	.	.	H	α-helix	trans	-58	-44.9	173.7	-68.7	174	179.3	171.8	3.6	111.5	L590 I653 W654 I659 Y660 E661 D691	L590-R657 HydrophobicContact CD1-CB 3.85Å; I653-R657 HydrophobicContact CG2-CG 4.45Å; I653-R657 WeakPolarHBondContact O-CG 3.21Å; I653-R657 PolarHBondContact O-N 3.4Å; W654-R657 HydrophobicContact CE3-CB 4.45Å; W654-R657 VanDerWaalsContact CH2-NH1 3.33Å; W654-R657 PolarHBondContact O-N 3.16Å; R657-I659 PolarHBondContact O-N 3.45Å; R657-Y660 WeakPolarHBondContact O-CB 3.37Å; R657-Y660 PolarHBondContact O-N 2.9Å; R657-E661 PolarHBondContact O-N 3.29Å; R657-D691 IonicContact CZ-OD1 2.79Å; R657-D691 IonicContact CZ-OD2 2.57Å; R657-D691 IonicContact NE-OD1 3.44Å; R657-D691 PolarHBondContact NE-OD1 3.15Å; R657-D691 IonicContact NE-OD2 3.15Å; R657-D691 IonicContact NH2-OD1 2.93Å; R657-D691 PolarHBondContact NH2-OD1 2.97Å; R657-D691 IonicContact NH2-OD2 3.3Å; R657-D691 PolarHBondContact NH2-OD2 3.28Å
658	C	93.1	Very high	89.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.6	-44.6	175.5	-70.3	0	0	0	0	111.8	W547 C593 L624 W654 M655 L656 E661 T662	W547-C658 HydrophobicContact CH2-CB 4.24Å; C593-C658 HydrophobicContact CB-CB 4.44Å; C593-C658 WeakPolarHBondContact CB-O 3.24Å; L624-C658 HydrophobicContact CD2-CB 4.23Å; W654-C658 PolarHBondContact O-N 2.91Å; W654-C658 PolarHBondContact O-SG 2.83Å; M655-C658 WeakPolarHBondContact O-CB 3.35Å; M655-C658 PolarHBondContact O-N 2.93Å; L656-C658 VanDerWaalsContact C-N 3.33Å; L656-C658 PolarHBondContact O-N 3.19Å; C658-E661 PolarHBondContact O-N 2.56Å; C658-T662 WeakPolarHBondContact O-CG2 3.28Å; C658-T662 PolarHBondContact O-N 3.25Å
659	I	92.6	Very high	89.8	Confident	5 Å²	5	35.9 Å²	35.9	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-43.9	176.5	-71.6	160.5	0	0	0	110.9	L628 M655 L656 R657 E661 T662 V667 A671 F697 V698	L628-I659 HydrophobicContact CD2-CD1 4.07Å; M655-I659 WeakPolarHBondContact O-CD1 3.43Å; M655-I659 VanDerWaalsContact O-CG1 3.31Å; M655-I659 WeakPolarHBondContact O-CG1 3.43Å; M655-I659 PolarHBondContact O-N 3.45Å; L656-I659 PolarHBondContact O-N 3.38Å; R657-I659 PolarHBondContact O-N 3.45Å; I659-E661 VanDerWaalsContact C-N 3.32Å; I659-E661 PolarHBondContact O-N 2.73Å; I659-T662 WeakPolarHBondContact O-CB 3.4Å; I659-T662 PolarHBondContact O-N 3.23Å; I659-T662 VanDerWaalsContact O-N 3.11Å; I659-T662 PolarHBondContact O-OG1 3.32Å; I659-V667 HydrophobicContact CG1-CG1 4.45Å; I659-V667 HydrophobicContact CG2-CG1 4.03Å; I659-A671 HydrophobicContact CD1-CB 3.76Å; I659-F697 HydrophobicContact CG2-CD1 4.19Å; I659-F697 HydrophobicContact CG2-CE1 3.95Å; I659-V698 HydrophobicContact CG2-CG2 3.78Å
660	Y	92.1	Very high	90.1	Very high	32 Å²	32	35.1 Å²	35.1	13%	0.125	17%	0.173	C	C	.	.	H	α-helix	trans	-59.7	-42.2	177.2	-178.9	-100.9	0	0	0	111.3	T418 L656 R657 T662 Q663 A694 F697	T418-Y660 WeakPolarHBondContact CA-OH 2.94Å; T418-Y660 WeakPolarHBondContact CB-OH 3.38Å; T418-Y660 HydrophobicContact CG2-CE2 4Å; T418-Y660 WeakPolarHBondContact CG2-OH 3.33Å; L656-Y660 WeakPolarHBondContact O-CB 3.37Å; L656-Y660 PolarHBondContact O-N 3.46Å; R657-Y660 WeakPolarHBondContact O-CB 3.37Å; R657-Y660 PolarHBondContact O-N 2.9Å; Y660-T662 PolarHBondContact O-N 3.38Å; Y660-T662 VanDerWaalsContact O-N 3.13Å; Y660-Q663 WeakPolarHBondContact O-CA 3.49Å; Y660-Q663 WeakPolarHBondContact O-CG 3.42Å; Y660-Q663 PolarHBondContact O-N 3.35Å; Y660-Q663 PolarHBondContact O-NE2 2.98Å; Y660-A694 HydrophobicContact CD2-CB 4.31Å; Y660-A694 HydrophobicContact CG-CB 4Å; Y660-F697 HydrophobicContact CD2-CB 3.76Å; Y660-F697 HydrophobicContact CD2-CD1 4.33Å; Y660-F697 HydrophobicContact CD2-CD2 4.31Å; Y660-F697 AromaticContact CD2-CG 3.9Å; Y660-F697 HydrophobicContact CD2-CG 3.9Å; Y660-F697 HydrophobicContact CE2-CB 4.31Å
661	E	92.2	Very high	90.4	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.028	16%	0.156	C	C	.	.	H	α-helix	trans	-58.9	-27.2	175.6	-106.3	-60	-171.4	0	0	114.4	T420 L421 T422 L590 C593 G594 R657 C658 I659 Q663	T420-E661 WeakPolarHBondContact CB-OE1 3.29Å; T420-E661 WeakPolarHBondContact CB-OE2 3.06Å; T420-E661 WeakPolarHBondContact CG2-OE2 3.38Å; T420-E661 PolarHBondContact OG1-OE1 2.83Å; T420-E661 PolarHBondContact OG1-OE2 3.48Å; L421-E661 PolarHBondContact N-OE1 3.16Å; T422-E661 WeakPolarHBondContact CA-OE1 3.42Å; T422-E661 WeakPolarHBondContact CB-OE1 3.45Å; T422-E661 PolarHBondContact N-OE1 2.99Å; T422-E661 PolarHBondContact OG1-OE1 3.21Å; L590-E661 HydrophobicContact CD2-CG 3.54Å; L590-E661 HydrophobicContact CG-CG 3.78Å; C593-E661 HydrophobicContact CB-CB 3.97Å; G594-E661 VanDerWaalsContact CA-OE2 3.29Å; G594-E661 WeakPolarHBondContact CA-OE2 3.38Å; R657-E661 PolarHBondContact O-N 3.29Å; C658-E661 PolarHBondContact O-N 2.56Å; I659-E661 VanDerWaalsContact C-N 3.32Å; I659-E661 PolarHBondContact O-N 2.73Å; E661-Q663 PolarHBondContact O-N 3.04Å
662	T	91.3	Very high	90.8	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.025	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.2	175.7	74.4	0	0	0	0	112.8	C593 C658 I659 Y660 S664	C593-T662 HydrophobicContact CB-CG2 4.07Å; C658-T662 WeakPolarHBondContact O-CG2 3.28Å; C658-T662 PolarHBondContact O-N 3.25Å; I659-T662 WeakPolarHBondContact O-CB 3.4Å; I659-T662 PolarHBondContact O-N 3.23Å; I659-T662 VanDerWaalsContact O-N 3.11Å; I659-T662 PolarHBondContact O-OG1 3.32Å; Y660-T662 PolarHBondContact O-N 3.38Å; Y660-T662 VanDerWaalsContact O-N 3.13Å; T662-S664 PolarHBondContact O-N 3.18Å; T662-S664 PolarHBondContact OG1-N 3.36Å
663	Q	89.3	Confident	90.8	Very high	63 Å²	63	39.2 Å²	39.2	29%	0.294	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	47	28.7	-173.4	-66.1	-69	-52.2	0	0	112.3	T418 T420 Y660 E661	T418-Q663 PolarHBondContact OG1-OE1 3.16Å; T420-Q663 HydrophobicContact CG2-CG 3.61Å; Y660-Q663 WeakPolarHBondContact O-CA 3.49Å; Y660-Q663 WeakPolarHBondContact O-CG 3.42Å; Y660-Q663 PolarHBondContact O-N 3.35Å; Y660-Q663 PolarHBondContact O-NE2 2.98Å; E661-Q663 PolarHBondContact O-N 3.04Å
664	S	89.7	Confident	90.7	Very high	29 Å²	29	39.4 Å²	39.4	20%	0.203	18%	0.18	C	C	.	.			trans	-104.7	107.5	-175.2	-174.8	0	0	0	0	110.4	T662 K666 V667 G668	T662-S664 PolarHBondContact O-N 3.18Å; T662-S664 PolarHBondContact OG1-N 3.36Å; S664-K666 PolarHBondContact O-N 3.29Å; S664-V667 WeakPolarHBondContact O-CA 3.42Å; S664-V667 WeakPolarHBondContact O-CB 3.49Å; S664-V667 PolarHBondContact O-N 3.25Å; S664-G668 PolarHBondContact O-N 2.78Å
665	Q	90.3	Very high	90.8	Very high	120 Å²	120	38.8 Å²	38.8	56%	0.561	18%	0.178	S	C	*	.	H	α-helix	trans	-53.3	-38.9	175.7	-167	-171.7	21.1	0	0	112.2	V667 G668 Q669	Q665-V667 VanDerWaalsContact C-N 3.31Å; Q665-V667 PolarHBondContact O-N 3.18Å; Q665-G668 PolarHBondContact O-N 3.37Å; Q665-Q669 WeakPolarHBondContact O-CB 3.43Å; Q665-Q669 VanDerWaalsContact O-CG 3.3Å; Q665-Q669 WeakPolarHBondContact O-CG 3.2Å; Q665-Q669 PolarHBondContact O-N 2.71Å
666	K	90	Very high	90.5	Very high	150 Å²	150	42.4 Å²	42.4	65%	0.652	20%	0.202	S	C	*	.	H	α-helix	trans	-60.5	-40.1	175.6	-175.4	177.5	-179.5	177	0	111.9	S664 L670	S664-K666 PolarHBondContact O-N 3.29Å; K666-L670 HydrophobicContact CG-CD1 4.28Å; K666-L670 WeakPolarHBondContact O-CB 2.87Å; K666-L670 VanDerWaalsContact O-CG 3.27Å; K666-L670 WeakPolarHBondContact O-CG 3.4Å; K666-L670 PolarHBondContact O-N 2.55Å; K666-L670 VanDerWaalsContact O-N 3.07Å
667	V	89.2	Confident	90.4	Very high	23 Å²	23	42.5 Å²	42.5	14%	0.139	20%	0.204	C	C	.	.	H	α-helix	trans	-68.9	-44.6	177.1	179.1	0	0	0	0	110.1	I659 S664 Q665 Q669 L670 A671	I659-V667 HydrophobicContact CG1-CG1 4.45Å; I659-V667 HydrophobicContact CG2-CG1 4.03Å; S664-V667 WeakPolarHBondContact O-CA 3.42Å; S664-V667 WeakPolarHBondContact O-CB 3.49Å; S664-V667 PolarHBondContact O-N 3.25Å; Q665-V667 VanDerWaalsContact C-N 3.31Å; Q665-V667 PolarHBondContact O-N 3.18Å; V667-Q669 PolarHBondContact O-N 2.85Å; V667-L670 PolarHBondContact O-N 2.78Å; V667-A671 WeakPolarHBondContact O-CB 3.22Å; V667-A671 PolarHBondContact O-N 2.79Å
668	G	90.5	Very high	90.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.2	-46.2	174.8	0	0	0	0	0	112.8	S664 Q665 L670 A671 A672	S664-G668 PolarHBondContact O-N 2.78Å; Q665-G668 PolarHBondContact O-N 3.37Å; G668-L670 PolarHBondContact O-N 3.35Å; G668-A671 PolarHBondContact O-N 2.65Å; G668-A672 WeakPolarHBondContact O-CB 3.36Å; G668-A672 PolarHBondContact O-N 3.23Å
669	Q	92.1	Very high	90.6	Very high	63 Å²	63	43.1 Å²	43.1	29%	0.294	21%	0.209	S	C	.	.	H	α-helix	trans	-60.9	-43.6	175.5	-73.4	173.5	5.2	0	0	113	Q665 V667 A672 R673 H701	Q665-Q669 WeakPolarHBondContact O-CB 3.43Å; Q665-Q669 VanDerWaalsContact O-CG 3.3Å; Q665-Q669 WeakPolarHBondContact O-CG 3.2Å; Q665-Q669 PolarHBondContact O-N 2.71Å; V667-Q669 PolarHBondContact O-N 2.85Å; Q669-A672 PolarHBondContact O-N 2.94Å; Q669-R673 WeakPolarHBondContact O-CG 2.84Å; Q669-R673 PolarHBondContact O-N 2.81Å; Q669-R673 VanDerWaalsContact O-N 3.1Å; Q669-H701 HydrophobicContact CB-CB 4.46Å; Q669-H701 HydrophobicContact CG-CB 3.99Å; Q669-H701 VanDerWaalsContact CG-CG 3.48Å
670	L	90.6	Very high	90.7	Very high	73 Å²	73	42.9 Å²	42.9	38%	0.382	21%	0.208	S	C	.	.	H	α-helix	trans	-63.6	-48.3	177	-74.6	169.1	0	0	0	110.4	F625 K666 V667 G668 A672 R673 G674	F625-L670 HydrophobicContact CD2-CB 4.25Å; F625-L670 HydrophobicContact CE2-CB 4.13Å; F625-L670 WeakPolarHBondContact CE2-O 3.18Å; K666-L670 HydrophobicContact CG-CD1 4.28Å; K666-L670 WeakPolarHBondContact O-CB 2.87Å; K666-L670 VanDerWaalsContact O-CG 3.27Å; K666-L670 WeakPolarHBondContact O-CG 3.4Å; K666-L670 PolarHBondContact O-N 2.55Å; K666-L670 VanDerWaalsContact O-N 3.07Å; V667-L670 PolarHBondContact O-N 2.78Å; G668-L670 PolarHBondContact O-N 3.35Å; L670-A672 VanDerWaalsContact C-N 3.32Å; L670-A672 PolarHBondContact O-N 2.95Å; L670-R673 PolarHBondContact O-N 2.77Å; L670-G674 PolarHBondContact O-N 2.94Å
671	A	90.6	Very high	90.9	Very high	3 Å²	3	44.1 Å²	44.1	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-55.6	-46.2	176.8	0	0	0	0	0	111.7	L628 I659 V667 G668 R673 G674 I675 V698	L628-A671 HydrophobicContact CD2-CB 3.65Å; I659-A671 HydrophobicContact CD1-CB 3.76Å; V667-A671 WeakPolarHBondContact O-CB 3.22Å; V667-A671 PolarHBondContact O-N 2.79Å; G668-A671 PolarHBondContact O-N 2.65Å; A671-R673 PolarHBondContact O-N 2.92Å; A671-G674 WeakPolarHBondContact O-CA 3.43Å; A671-G674 PolarHBondContact O-N 2.96Å; A671-I675 PolarHBondContact O-N 2.97Å; A671-V698 HydrophobicContact CB-CG1 3.92Å; A671-V698 HydrophobicContact CB-CG2 4.4Å
672	A	91.8	Very high	91	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.2	-41.6	178	0	0	0	0	0	112.9	G668 Q669 L670 G674 I675 V698 H701	G668-A672 WeakPolarHBondContact O-CB 3.36Å; G668-A672 PolarHBondContact O-N 3.23Å; Q669-A672 PolarHBondContact O-N 2.94Å; L670-A672 VanDerWaalsContact C-N 3.32Å; L670-A672 PolarHBondContact O-N 2.95Å; A672-G674 PolarHBondContact O-N 2.94Å; A672-I675 PolarHBondContact O-N 3.21Å; A672-V698 HydrophobicContact CB-CG1 4.01Å; A672-V698 VanDerWaalsContact CB-O 3.29Å; A672-V698 WeakPolarHBondContact CB-O 3.42Å; A672-H701 HydrophobicContact CB-CB 3.78Å
673	R	89.7	Confident	90.9	Very high	180 Å²	180	44.3 Å²	44.3	68%	0.679	22%	0.216	S	C	*	.	H	α-helix	trans	-66.5	-25.9	174.2	-70.1	174.3	-176.7	-175	1.4	112.9	Q669 L670 A671 I675	Q669-R673 WeakPolarHBondContact O-CG 2.84Å; Q669-R673 PolarHBondContact O-N 2.81Å; Q669-R673 VanDerWaalsContact O-N 3.1Å; L670-R673 PolarHBondContact O-N 2.77Å; A671-R673 PolarHBondContact O-N 2.92Å; R673-I675 VanDerWaalsContact C-N 3.31Å
674	G	88	Confident	90.6	Very high	7 Å²	7	49.2 Å²	49.2	7%	0.072	23%	0.233	C	C	.	.	H	α-helix	trans	-73	-21.1	176.3	0	0	0	0	0	113.7	L670 A671 A672 C676	L670-G674 PolarHBondContact O-N 2.94Å; A671-G674 WeakPolarHBondContact O-CA 3.43Å; A671-G674 PolarHBondContact O-N 2.96Å; A672-G674 PolarHBondContact O-N 2.94Å; G674-C676 PolarHBondContact O-N 2.77Å
675	I	89	Confident	90.4	Very high	8 Å²	8	48.1 Å²	48.1	4%	0.041	23%	0.225	C	C	.	.			trans	-77	107	177.3	-59.1	167.9	0	0	0	109	L632 F652 A671 A672 R673 L680 V698 L699 F702	L632-I675 HydrophobicContact CD1-CB 4.13Å; L632-I675 HydrophobicContact CD1-CG1 3.64Å; L632-I675 HydrophobicContact CD1-CG2 4.37Å; F652-I675 HydrophobicContact CZ-CD1 4.37Å; A671-I675 PolarHBondContact O-N 2.97Å; A672-I675 PolarHBondContact O-N 3.21Å; R673-I675 VanDerWaalsContact C-N 3.31Å; I675-L680 HydrophobicContact CD1-CD1 4.47Å; I675-L680 HydrophobicContact CG2-CD1 4.22Å; I675-L680 HydrophobicContact CG2-CD2 3.96Å; I675-L680 HydrophobicContact CG2-CG 4.44Å; I675-V698 HydrophobicContact CD1-CG1 4.08Å; I675-L699 HydrophobicContact CD1-CD2 3.89Å; I675-F702 HydrophobicContact CB-CD2 4.32Å; I675-F702 HydrophobicContact CB-CE2 3.84Å; I675-F702 HydrophobicContact CG2-CD2 4.49Å; I675-F702 HydrophobicContact CG2-CE2 3.77Å; I675-F702 WeakPolarHBondContact O-CE2 3.36Å
676	C	85.8	Confident	89.8	Confident	77 Å²	77	48.9 Å²	48.9	52%	0.52	23%	0.233	S	C	.	.			trans	-89.6	-12.6	-179.3	-59	0	0	0	0	114.1	G674	G674-C676 PolarHBondContact O-N 2.77Å
677	A	90.2	Very high	89.7	Confident	5 Å²	5	41.8 Å²	41.8	4%	0.041	20%	0.202	C	C	.	.			trans	-83.8	142.2	177.4	0	0	0	0	0	110.6	N644 V646 L680 F702	N644-A677 WeakPolarHBondContact O-CB 3.4Å; V646-A677 HydrophobicContact CB-CB 4.17Å; V646-A677 HydrophobicContact CG1-CB 3.74Å; V646-A677 HydrophobicContact CG2-CB 3.41Å; V646-A677 VanDerWaalsContact CG2-CB 3.41Å; A677-L680 HydrophobicContact CB-CD2 4.24Å; A677-F702 VanDerWaalsContact O-CZ 3.29Å; A677-F702 WeakPolarHBondContact O-CZ 3.37Å
678	N	93.2	Very high	89.4	Confident	41 Å²	41	41.3 Å²	41.3	22%	0.219	20%	0.2	C	C	.	.	S	Bend	trans	-101.7	4.9	171.5	65.5	-21.8	0	0	0	112.2	S642 N644 A707	S642-N678 PolarHBondContact O-ND2 2.92Å; N644-N678 PolarHBondContact N-OD1 3.07Å; N644-N678 PolarHBondContact O-N 3.19Å; N644-N678 PolarHBondContact O-OD1 2.88Å; N678-A707 PolarHBondContact O-N 3.09Å
679	Y	95.1	Very high	89.2	Confident	16 Å²	16	41.4 Å²	41.4	6%	0.063	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	115.5	167.8	-171.8	-48	0	0	0	109.3	F643 N644 Q645 V646 K681 A707 D709 V732 R734	F643-Y679 HydrophobicContact CB-CD2 3.95Å; F643-Y679 HydrophobicContact CB-CG 4.39Å; F643-Y679 HydrophobicContact CD1-CD2 4.18Å; F643-Y679 HydrophobicContact CD2-CD2 4.21Å; F643-Y679 AromaticContact CG-CD2 3.86Å; F643-Y679 HydrophobicContact CG-CD2 3.86Å; N644-Y679 PolarHBondContact O-N 3.46Å; Q645-Y679 HydrophobicContact CB-CD1 4.2Å; Q645-Y679 HydrophobicContact CB-CG 4.08Å; Q645-Y679 HydrophobicContact CG-CD1 3.64Å; Q645-Y679 HydrophobicContact CG-CE1 4.15Å; Q645-Y679 HydrophobicContact CG-CG 4.04Å; Q645-Y679 VanDerWaalsContact NE2-CZ 3.34Å; V646-Y679 PolarHBondContact N-O 3.37Å; Y679-K681 HydrophobicContact CD1-CB 4.34Å; Y679-K681 HydrophobicContact CE1-CB 4.01Å; Y679-A707 CarbonylContact C-O 3.48Å; Y679-A707 WeakPolarHBondContact CA-O 3.47Å; Y679-A707 HydrophobicContact CD1-CB 4.25Å; Y679-A707 HydrophobicContact CD2-CB 3.24Å; Y679-A707 HydrophobicContact CE2-CB 3.8Å; Y679-A707 HydrophobicContact CG-CB 3.49Å; Y679-A707 VanDerWaalsContact CG-CB 3.49Å; Y679-D709 HydrophobicContact CE1-CB 3.81Å; Y679-V732 HydrophobicContact CE2-CG1 4.36Å; Y679-R734 WeakPolarHBondContact OH-CD 3.45Å
680	L	94.8	Very high	88.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	111.1	176.8	-65.8	177.3	0	0	0	109.5	V646 I675 A677 L682 L699 L706 A707 L708 D709	V646-L680 HydrophobicContact CG2-CD2 3.55Å; I675-L680 HydrophobicContact CD1-CD1 4.47Å; I675-L680 HydrophobicContact CG2-CD1 4.22Å; I675-L680 HydrophobicContact CG2-CD2 3.96Å; I675-L680 HydrophobicContact CG2-CG 4.44Å; A677-L680 HydrophobicContact CB-CD2 4.24Å; L680-L682 HydrophobicContact CB-CD1 3.92Å; L680-L699 HydrophobicContact CD1-CD2 3.83Å; L680-L706 HydrophobicContact CD1-CD1 4.15Å; L680-L706 HydrophobicContact CD1-CD2 4.29Å; L680-L706 HydrophobicContact CG-CD1 4.02Å; L680-A707 PolarHBondContact N-O 3.17Å; L680-L708 HydrophobicContact CB-CD1 4.32Å; L680-D709 PolarHBondContact O-N 3.05Å
681	K	94.9	Very high	88.6	Confident	59 Å²	59	36.4 Å²	36.4	26%	0.257	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	112.8	174.4	-173.6	174.3	-174.2	-176.2	0	110.3	V646 Q647 A648 Y679 T683 D709	V646-K681 PolarHBondContact O-N 3.24Å; Q647-K681 CarbonylContact C-O 3.58Å; A648-K681 PolarHBondContact N-O 2.85Å; Y679-K681 HydrophobicContact CD1-CB 4.34Å; Y679-K681 HydrophobicContact CE1-CB 4.01Å; K681-T683 HydrophobicContact CD-CG2 4.37Å; K681-T683 WeakPolarHBondContact CE-OG1 3.02Å; K681-T683 HydrophobicContact CG-CG2 3.83Å; K681-D709 HydrophobicContact CB-CB 4.42Å; K681-D709 HydrophobicContact CG-CB 4.22Å
682	L	94.1	Very high	88.7	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.178	C	C	.	.			trans	-119.3	41.5	-177.7	-62.3	116.8	0	0	0	111	A648 F652 I653 L680 C685 L695 L708 D709 L710 N713	A648-L682 HydrophobicContact CB-CD2 3.98Å; A648-L682 HydrophobicContact CB-CG 4.01Å; F652-L682 HydrophobicContact CD1-CD2 3.57Å; F652-L682 HydrophobicContact CE1-CD2 3.93Å; I653-L682 HydrophobicContact CD1-CD2 3.59Å; I653-L682 HydrophobicContact CG1-CD2 4.4Å; L680-L682 HydrophobicContact CB-CD1 3.92Å; L682-C685 VanDerWaalsContact C-SG 3.55Å; L682-L695 HydrophobicContact CD1-CD2 4.45Å; L682-L695 HydrophobicContact CD2-CD2 4.27Å; L682-L708 HydrophobicContact CD1-CD1 3.47Å; L682-L708 VanDerWaalsContact CD1-CD1 3.47Å; L682-D709 WeakPolarHBondContact CA-O 3.48Å; L682-D709 PolarHBondContact N-O 3.39Å; L682-L710 HydrophobicContact CB-CD2 3.82Å; L682-L710 HydrophobicContact CD1-CD2 4.17Å; L682-L710 HydrophobicContact CG-CD2 4.5Å; L682-N713 PolarHBondContact O-ND2 3.45Å
683	T	90.3	Very high	88.6	Confident	14 Å²	14	37 Å²	37	9%	0.086	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	139.6	179.8	54.9	0	0	0	0	111.6	K681 C685 D709 D711	K681-T683 HydrophobicContact CD-CG2 4.37Å; K681-T683 WeakPolarHBondContact CE-OG1 3.02Å; K681-T683 HydrophobicContact CG-CG2 3.83Å; T683-C685 PolarHBondContact O-N 3.48Å; T683-D709 VanDerWaalsContact CG2-OD1 3.31Å; T683-D709 WeakPolarHBondContact CG2-OD1 3.25Å; T683-D711 VanDerWaalsContact CA-O 3.24Å; T683-D711 WeakPolarHBondContact CA-O 3.34Å; T683-D711 HydrophobicContact CG2-CB 4Å
684	Y	83.7	Confident	88.7	Confident	166 Å²	166	28.5 Å²	28.5	65%	0.651	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	32.2	-179.8	-53.9	-81.3	0	0	0	113.4	N686 N712	Y684-N686 VanDerWaalsContact C-N 3.27Å; Y684-N686 PolarHBondContact O-N 3.23Å; Y684-N712 WeakPolarHBondContact CA-O 3.31Å; Y684-N712 HydrophobicContact CD1-CB 3.57Å; Y684-N712 HydrophobicContact CD2-CB 4.31Å; Y684-N712 HydrophobicContact CE1-CB 3.34Å; Y684-N712 VanDerWaalsContact CE1-CG 3.43Å; Y684-N712 HydrophobicContact CE2-CB 4.12Å; Y684-N712 HydrophobicContact CG-CB 4.05Å; Y684-N712 PolarHBondContact N-O 3.4Å; Y684-N712 VanDerWaalsContact OH-CG 3.29Å; Y684-N712 PolarHBondContact OH-ND2 2.88Å; Y684-N712 PolarHBondContact OH-OD1 2.95Å
685	C	84.4	Confident	89.1	Confident	5 Å²	5	28.2 Å²	28.2	3%	0.034	15%	0.148	C	C	.	.	S	Bend	trans	-85.3	0.4	179.2	-76.9	0	0	0	0	113.4	I653 L682 T683 A687 N713	I653-C685 HydrophobicContact CG1-CB 4.1Å; L682-C685 VanDerWaalsContact C-SG 3.55Å; T683-C685 PolarHBondContact O-N 3.48Å; C685-A687 PolarHBondContact O-N 2.65Å; C685-N713 PolarHBondContact N-OD1 3.14Å
686	N	78.5	Confident	89.3	Confident	137 Å²	137	27.9 Å²	27.9	73%	0.733	15%	0.147	S	C	*	.			trans	53	35.5	-170.1	-165.2	34.9	0	0	0	112.2	Y684 N713	Y684-N686 VanDerWaalsContact C-N 3.27Å; Y684-N686 PolarHBondContact O-N 3.23Å; N686-N713 PolarHBondContact N-OD1 3.33Å
687	A	87	Confident	89.6	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.			trans	-71.4	130.3	177.9	0	0	0	0	0	109.7	I653 C685 D691 N713 N714 L715	I653-A687 HydrophobicContact CD1-CB 4.37Å; C685-A687 PolarHBondContact O-N 2.65Å; A687-D691 VanDerWaalsContact CA-OD2 3.3Å; A687-D691 WeakPolarHBondContact CA-OD2 3.36Å; A687-D691 HydrophobicContact CB-CB 4.23Å; A687-N713 HydrophobicContact CB-CB 4.18Å; A687-N713 PolarHBondContact N-OD1 3.42Å; A687-N714 PolarHBondContact O-N 2.84Å; A687-L715 HydrophobicContact CB-CD2 4.19Å
688	C	83.4	Confident	89.8	Confident	14 Å²	14	26.1 Å²	26.1	10%	0.095	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-97.4	171.7	170.7	69.1	0	0	0	0	111	A690 D691 L715	C688-A690 PolarHBondContact O-N 3.02Å; C688-D691 PolarHBondContact N-OD2 2.87Å; C688-D691 VanDerWaalsContact O-CB 3.28Å; C688-D691 WeakPolarHBondContact O-CB 3.49Å; C688-D691 PolarHBondContact O-N 2.61Å; C688-D691 PolarHBondContact SG-OD2 2.67Å; C688-L715 WeakPolarHBondContact O-CD2 3.13Å
689	S	85.6	Confident	89.8	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.007	12%	0.119	C	C	.	.	H	α-helix	trans	-55.3	-35.8	179.7	-39.8	0	0	0	0	113.6	D691 C692 N714 L715 N716	S689-D691 PolarHBondContact O-N 2.89Å; S689-C692 VanDerWaalsContact O-CB 3.28Å; S689-C692 WeakPolarHBondContact O-CB 3.23Å; S689-C692 PolarHBondContact O-N 3.31Å; S689-N714 PolarHBondContact N-O 3.47Å; S689-L715 VanDerWaalsContact CB-O 3.23Å; S689-L715 WeakPolarHBondContact CB-O 3.18Å; S689-L715 PolarHBondContact OG-O 2.93Å; S689-N716 VanDerWaalsContact OG-CG 3.31Å; S689-N716 PolarHBondContact OG-ND2 3.15Å; S689-N716 PolarHBondContact OG-OD1 2.81Å
690	A	82.3	Confident	89.8	Confident	26 Å²	26	27.2 Å²	27.2	22%	0.215	13%	0.134	C	C	.	.	H	α-helix	trans	-67.5	-22.3	176.9	0	0	0	0	0	113.5	A380 N381 C688 C692 S693	A380-A690 PolarHBondContact O-N 3.46Å; N381-A690 HydrophobicContact CB-CB 4.1Å; C688-A690 PolarHBondContact O-N 3.02Å; A690-C692 VanDerWaalsContact C-N 3.26Å; A690-C692 PolarHBondContact O-N 3.28Å; A690-S693 WeakPolarHBondContact O-CB 3.49Å; A690-S693 PolarHBondContact O-N 2.89Å; A690-S693 PolarHBondContact O-OG 3.32Å
691	D	89	Confident	89.7	Confident	5 Å²	5	29 Å²	29	3%	0.027	14%	0.142	C	C	.	.	H	α-helix	trans	-70.5	-26	174.9	-64.3	-41.8	0	0	0	112.2	I653 R657 A687 C688 S689 S693 A694 L695	I653-D691 HydrophobicContact CG2-CB 4.01Å; R657-D691 IonicContact CZ-OD1 2.79Å; R657-D691 IonicContact CZ-OD2 2.57Å; R657-D691 IonicContact NE-OD1 3.44Å; R657-D691 PolarHBondContact NE-OD1 3.15Å; R657-D691 IonicContact NE-OD2 3.15Å; R657-D691 IonicContact NH2-OD1 2.93Å; R657-D691 PolarHBondContact NH2-OD1 2.97Å; R657-D691 IonicContact NH2-OD2 3.3Å; R657-D691 PolarHBondContact NH2-OD2 3.28Å; A687-D691 VanDerWaalsContact CA-OD2 3.3Å; A687-D691 WeakPolarHBondContact CA-OD2 3.36Å; A687-D691 HydrophobicContact CB-CB 4.23Å; C688-D691 PolarHBondContact N-OD2 2.87Å; C688-D691 VanDerWaalsContact O-CB 3.28Å; C688-D691 WeakPolarHBondContact O-CB 3.49Å; C688-D691 PolarHBondContact O-N 2.61Å; C688-D691 PolarHBondContact SG-OD2 2.67Å; S689-D691 PolarHBondContact O-N 2.89Å; D691-S693 PolarHBondContact O-N 2.84Å; D691-A694 PolarHBondContact O-N 2.74Å; D691-L695 WeakPolarHBondContact O-CB 3.18Å; D691-L695 WeakPolarHBondContact O-CG 3.11Å; D691-L695 PolarHBondContact O-N 2.7Å
692	C	92.6	Very high	89.6	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-33.9	173.6	-73.7	0	0	0	0	112	S689 A690 A694 L695 S696 L715 G719 E722 L723	S689-C692 VanDerWaalsContact O-CB 3.28Å; S689-C692 WeakPolarHBondContact O-CB 3.23Å; S689-C692 PolarHBondContact O-N 3.31Å; A690-C692 VanDerWaalsContact C-N 3.26Å; A690-C692 PolarHBondContact O-N 3.28Å; C692-A694 VanDerWaalsContact C-N 3.35Å; C692-L695 PolarHBondContact O-N 3.28Å; C692-S696 WeakPolarHBondContact O-CB 3.06Å; C692-S696 PolarHBondContact O-N 2.73Å; C692-L715 VanDerWaalsContact SG-CD2 3.52Å; C692-G719 VanDerWaalsContact CB-O 3.26Å; C692-G719 WeakPolarHBondContact CB-O 3.21Å; C692-G719 PolarHBondContact SG-O 3.41Å; C692-E722 HydrophobicContact CB-CB 3.57Å; C692-L723 HydrophobicContact CB-CD2 3.88Å; C692-L723 HydrophobicContact CB-CG 3.82Å
693	S	89.7	Confident	89.5	Confident	15 Å²	15	30.3 Å²	30.3	11%	0.105	16%	0.156	C	C	.	.	H	α-helix	trans	-62.7	-44.6	175	-43.7	0	0	0	0	110.8	A690 D691 F697 E722	A690-S693 WeakPolarHBondContact O-CB 3.49Å; A690-S693 PolarHBondContact O-N 2.89Å; A690-S693 PolarHBondContact O-OG 3.32Å; D691-S693 PolarHBondContact O-N 2.84Å; S693-F697 WeakPolarHBondContact O-CB 3.45Å; S693-F697 PolarHBondContact O-N 3.18Å; S693-E722 WeakPolarHBondContact CB-OE2 3.35Å; S693-E722 WeakPolarHBondContact OG-CG 3.32Å; S693-E722 PolarHBondContact OG-OE2 3.19Å
694	A	92.1	Very high	89.5	Confident	3 Å²	3	36.6 Å²	36.6	3%	0.025	18%	0.182	C	C	.	.	H	α-helix	trans	-68.7	-41.6	178.2	0	0	0	0	0	112.5	L656 Y660 D691 C692 V698	L656-A694 HydrophobicContact CB-CB 4.22Å; Y660-A694 HydrophobicContact CD2-CB 4.31Å; Y660-A694 HydrophobicContact CG-CB 4Å; D691-A694 PolarHBondContact O-N 2.74Å; C692-A694 VanDerWaalsContact C-N 3.35Å; A694-V698 PolarHBondContact O-N 3.41Å
695	L	94.6	Very high	89.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.4	-54.4	172.4	-81.6	160.9	0	0	0	110.6	I653 L656 L682 D691 C692 F697 V698 L699 L710 L723	I653-L695 HydrophobicContact CD1-CD1 4.23Å; I653-L695 HydrophobicContact CD1-CD2 4.45Å; I653-L695 HydrophobicContact CD1-CG 4.44Å; L656-L695 HydrophobicContact CD1-CB 4.5Å; L656-L695 HydrophobicContact CD1-CD2 3.21Å; L656-L695 HydrophobicContact CD1-CG 3.69Å; L682-L695 HydrophobicContact CD1-CD2 4.45Å; L682-L695 HydrophobicContact CD2-CD2 4.27Å; D691-L695 WeakPolarHBondContact O-CB 3.18Å; D691-L695 WeakPolarHBondContact O-CG 3.11Å; D691-L695 PolarHBondContact O-N 2.7Å; C692-L695 PolarHBondContact O-N 3.28Å; L695-F697 VanDerWaalsContact C-N 3.33Å; L695-F697 PolarHBondContact O-N 3.19Å; L695-V698 PolarHBondContact O-N 3.35Å; L695-V698 VanDerWaalsContact O-N 3.12Å; L695-L699 HydrophobicContact CD2-CD1 4.24Å; L695-L699 WeakPolarHBondContact O-CB 3.44Å; L695-L699 VanDerWaalsContact O-CG 3.29Å; L695-L699 WeakPolarHBondContact O-CG 3.42Å; L695-L699 PolarHBondContact O-N 3.16Å; L695-L710 HydrophobicContact CD1-CD2 3.98Å; L695-L723 HydrophobicContact CB-CD2 4.47Å
696	S	94.3	Very high	90.5	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.014	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-38.6	-176	-165	0	0	0	0	112.2	C692 V698 L699 H700 E722 L723 P725 C726	C692-S696 WeakPolarHBondContact O-CB 3.06Å; C692-S696 PolarHBondContact O-N 2.73Å; S696-V698 PolarHBondContact O-N 2.68Å; S696-L699 PolarHBondContact O-N 2.76Å; S696-H700 VanDerWaalsContact O-CB 3.26Å; S696-H700 WeakPolarHBondContact O-CB 3.49Å; S696-H700 PolarHBondContact O-N 3.08Å; S696-E722 WeakPolarHBondContact CB-O 3.31Å; S696-E722 PolarHBondContact OG-O 3.29Å; S696-L723 PolarHBondContact OG-O 3.25Å; S696-P725 VanDerWaalsContact OG-CB 3.28Å; S696-P725 WeakPolarHBondContact OG-CB 3.48Å; S696-P725 VanDerWaalsContact OG-CD 3.25Å; S696-P725 WeakPolarHBondContact OG-CD 3.35Å; S696-P725 WeakPolarHBondContact OG-CG 3.38Å; S696-C726 PolarHBondContact OG-N 3.46Å
697	F	92.5	Very high	91.4	Very high	44 Å²	44	28 Å²	28	19%	0.193	14%	0.137	C	C	.	.	H	α-helix	trans	-54.6	-35.6	174	177.7	-100.3	0	0	0	113.2	I659 Y660 S693 L695 H701	I659-F697 HydrophobicContact CG2-CD1 4.19Å; I659-F697 HydrophobicContact CG2-CE1 3.95Å; Y660-F697 HydrophobicContact CD2-CB 3.76Å; Y660-F697 HydrophobicContact CD2-CD1 4.33Å; Y660-F697 HydrophobicContact CD2-CD2 4.31Å; Y660-F697 AromaticContact CD2-CG 3.9Å; Y660-F697 HydrophobicContact CD2-CG 3.9Å; Y660-F697 HydrophobicContact CE2-CB 4.31Å; S693-F697 WeakPolarHBondContact O-CB 3.45Å; S693-F697 PolarHBondContact O-N 3.18Å; L695-F697 VanDerWaalsContact C-N 3.33Å; L695-F697 PolarHBondContact O-N 3.19Å; F697-H701 PolarHBondContact O-CD2 3.47Å
698	V	93.4	Very high	91.9	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-87.4	-51.1	175.1	178.7	0	0	0	0	111	L656 I659 A671 A672 I675 A694 L695 S696 H700 H701	L656-V698 HydrophobicContact CD2-CB 3.96Å; L656-V698 HydrophobicContact CD2-CG1 4.27Å; L656-V698 HydrophobicContact CD2-CG2 3.64Å; I659-V698 HydrophobicContact CG2-CG2 3.78Å; A671-V698 HydrophobicContact CB-CG1 3.92Å; A671-V698 HydrophobicContact CB-CG2 4.4Å; A672-V698 HydrophobicContact CB-CG1 4.01Å; A672-V698 VanDerWaalsContact CB-O 3.29Å; A672-V698 WeakPolarHBondContact CB-O 3.42Å; I675-V698 HydrophobicContact CD1-CG1 4.08Å; A694-V698 PolarHBondContact O-N 3.41Å; L695-V698 PolarHBondContact O-N 3.35Å; L695-V698 VanDerWaalsContact O-N 3.12Å; S696-V698 PolarHBondContact O-N 2.68Å; V698-H700 VanDerWaalsContact C-N 3.32Å; V698-H700 PolarHBondContact O-N 3.41Å; V698-H701 PolarHBondContact O-N 3.22Å; V698-H701 VanDerWaalsContact O-N 3.1Å
699	L	94.6	Very high	92.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-70.3	-23.4	-169.4	-63.3	-177.4	0	0	0	113.9	I675 L680 L695 S696 H701 F702 L706 L708 C726	I675-L699 HydrophobicContact CD1-CD2 3.89Å; L680-L699 HydrophobicContact CD1-CD2 3.83Å; L695-L699 HydrophobicContact CD2-CD1 4.24Å; L695-L699 WeakPolarHBondContact O-CB 3.44Å; L695-L699 VanDerWaalsContact O-CG 3.29Å; L695-L699 WeakPolarHBondContact O-CG 3.42Å; L695-L699 PolarHBondContact O-N 3.16Å; S696-L699 PolarHBondContact O-N 2.76Å; L699-H701 PolarHBondContact O-N 2.87Å; L699-F702 WeakPolarHBondContact O-CB 3.46Å; L699-F702 PolarHBondContact O-N 2.84Å; L699-L706 HydrophobicContact CB-CD2 4.42Å; L699-L706 HydrophobicContact CD1-CD2 3.9Å; L699-L706 HydrophobicContact CD2-CD2 3.77Å; L699-L706 HydrophobicContact CG-CD2 4.24Å; L699-L708 HydrophobicContact CD1-CD1 4.1Å; L699-L708 HydrophobicContact CD1-CD2 4.16Å; L699-C726 HydrophobicContact CB-CB 3.88Å
700	H	93.8	Very high	93.1	Very high	79 Å²	79	27.4 Å²	27.4	37%	0.366	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.6	171.6	176.9	71	0	0	0	112.5	S696 V698 P725	S696-H700 VanDerWaalsContact O-CB 3.26Å; S696-H700 WeakPolarHBondContact O-CB 3.49Å; S696-H700 PolarHBondContact O-N 3.08Å; V698-H700 VanDerWaalsContact C-N 3.32Å; V698-H700 PolarHBondContact O-N 3.41Å; H700-P725 HydrophobicContact CB-CB 4.18Å; H700-P725 PolarHBondContact ND1-O 3.33Å
701	H	93.2	Very high	93.8	Very high	39 Å²	39	26.3 Å²	26.3	18%	0.181	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	2.7	176.5	-63.8	-54.7	0	0	0	114.3	Q669 A672 F697 V698 L699	Q669-H701 HydrophobicContact CB-CB 4.46Å; Q669-H701 HydrophobicContact CG-CB 3.99Å; Q669-H701 VanDerWaalsContact CG-CG 3.48Å; A672-H701 HydrophobicContact CB-CB 3.78Å; F697-H701 PolarHBondContact O-CD2 3.47Å; V698-H701 PolarHBondContact O-N 3.22Å; V698-H701 VanDerWaalsContact O-N 3.1Å; L699-H701 PolarHBondContact O-N 2.87Å
702	F	93.7	Very high	94	Very high	5 Å²	5	27.7 Å²	27.7	2%	0.022	13%	0.132	C	C	.	.			trans	-65.7	127.5	-178.2	-165.9	-108.2	0	0	0	110.7	I675 A677 L699 K704 L706 R729	I675-F702 HydrophobicContact CB-CD2 4.32Å; I675-F702 HydrophobicContact CB-CE2 3.84Å; I675-F702 HydrophobicContact CG2-CD2 4.49Å; I675-F702 HydrophobicContact CG2-CE2 3.77Å; I675-F702 WeakPolarHBondContact O-CE2 3.36Å; A677-F702 VanDerWaalsContact O-CZ 3.29Å; A677-F702 WeakPolarHBondContact O-CZ 3.37Å; L699-F702 WeakPolarHBondContact O-CB 3.46Å; L699-F702 PolarHBondContact O-N 2.84Å; F702-K704 VanDerWaalsContact C-N 3.32Å; F702-K704 HydrophobicContact CD1-CB 4.39Å; F702-K704 VanDerWaalsContact CD1-O 3.31Å; F702-K704 WeakPolarHBondContact CD1-O 3.33Å; F702-K704 HydrophobicContact CE1-CB 3.9Å; F702-K704 PolarHBondContact O-N 3.18Å; F702-L706 HydrophobicContact CD1-CB 3.87Å; F702-L706 HydrophobicContact CD1-CD1 4.36Å; F702-L706 HydrophobicContact CD1-CD2 4.39Å; F702-L706 HydrophobicContact CD1-CG 4.45Å; F702-L706 HydrophobicContact CE1-CB 4Å; F702-L706 HydrophobicContact CE1-CD1 3.96Å; F702-L706 HydrophobicContact CE1-CG 4.47Å; F702-L706 HydrophobicContact CZ-CD1 4.21Å; F702-R729 VanDerWaalsContact O-CD 3.28Å; F702-R729 WeakPolarHBondContact O-CD 3.49Å; F702-R729 PolarHBondContact O-NE 3.12Å; F702-R729 VanDerWaalsContact O-NE 3.08Å; F702-R729 PolarHBondContact O-NH1 3.1Å
703	P	89.9	Confident	93.8	Very high	80 Å²	80	28.5 Å²	28.5	52%	0.519	14%	0.136	S	C	.	.	S	Bend	trans	-75.3	-17.6	-168.1	27.5	-34.6	0	0	0	114.3
704	K	90.7	Very high	93.5	Very high	147 Å²	147	30.5 Å²	30.5	64%	0.639	15%	0.145	S	C	*	.	S	Bend	trans	-118.9	-179.7	-173.3	-62.9	-177.8	-178.4	-177	0	111.4	F702	F702-K704 VanDerWaalsContact C-N 3.32Å; F702-K704 HydrophobicContact CD1-CB 4.39Å; F702-K704 VanDerWaalsContact CD1-O 3.31Å; F702-K704 WeakPolarHBondContact CD1-O 3.33Å; F702-K704 HydrophobicContact CE1-CB 3.9Å; F702-K704 PolarHBondContact O-N 3.18Å
705	R	93.6	Very high	93.4	Very high	126 Å²	126	30.3 Å²	30.3	48%	0.475	14%	0.144	S	C	.	.			trans	-68.2	146.2	162.7	-64.5	-56.6	-171.8	-160.5	-2.9	110.1	S728 R729 T731	R705-S728 PolarHBondContact NH1-O 3.42Å; R705-R729 CarbonylContact C-O 3.53Å; R705-R729 WeakPolarHBondContact CA-O 3.5Å; R705-T731 HydrophobicContact CB-CG2 3.57Å; R705-T731 HydrophobicContact CG-CG2 3.68Å
706	L	95.8	Very high	93.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135.4	-173.1	-178.7	64.6	0	0	0	110.7	L680 L699 F702 R729 L730 T731	L680-L706 HydrophobicContact CD1-CD1 4.15Å; L680-L706 HydrophobicContact CD1-CD2 4.29Å; L680-L706 HydrophobicContact CG-CD1 4.02Å; L699-L706 HydrophobicContact CB-CD2 4.42Å; L699-L706 HydrophobicContact CD1-CD2 3.9Å; L699-L706 HydrophobicContact CD2-CD2 3.77Å; L699-L706 HydrophobicContact CG-CD2 4.24Å; F702-L706 HydrophobicContact CD1-CB 3.87Å; F702-L706 HydrophobicContact CD1-CD1 4.36Å; F702-L706 HydrophobicContact CD1-CD2 4.39Å; F702-L706 HydrophobicContact CD1-CG 4.45Å; F702-L706 HydrophobicContact CE1-CB 4Å; F702-L706 HydrophobicContact CE1-CD1 3.96Å; F702-L706 HydrophobicContact CE1-CG 4.47Å; F702-L706 HydrophobicContact CZ-CD1 4.21Å; L706-R729 PolarHBondContact N-O 3.07Å; L706-L730 HydrophobicContact CB-CD2 4.35Å; L706-L730 HydrophobicContact CD2-CD2 4.19Å; L706-L730 HydrophobicContact CG-CD2 4.4Å; L706-L730 CarbonylContact O-C 3.56Å; L706-L730 WeakPolarHBondContact O-CA 3.32Å; L706-T731 PolarHBondContact O-N 3.31Å; L706-T731 PolarHBondContact O-OG1 2.78Å
707	A	97.2	Very high	92.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.4	162	0	0	0	0	0	109.6	F643 N678 Y679 L680 V732	F643-A707 HydrophobicContact CD1-CB 3.99Å; F643-A707 HydrophobicContact CE1-CB 3.79Å; F643-A707 HydrophobicContact CZ-CB 4.33Å; N678-A707 PolarHBondContact O-N 3.09Å; Y679-A707 CarbonylContact C-O 3.48Å; Y679-A707 WeakPolarHBondContact CA-O 3.47Å; Y679-A707 HydrophobicContact CD1-CB 4.25Å; Y679-A707 HydrophobicContact CD2-CB 3.24Å; Y679-A707 HydrophobicContact CE2-CB 3.8Å; Y679-A707 HydrophobicContact CG-CB 3.49Å; Y679-A707 VanDerWaalsContact CG-CB 3.49Å; L680-A707 PolarHBondContact N-O 3.17Å; A707-V732 HydrophobicContact CB-CB 3.52Å; A707-V732 HydrophobicContact CB-CG1 4.11Å; A707-V732 HydrophobicContact CB-CG2 3.92Å
708	L	97.4	Very high	92.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	114.1	-179.4	-176.4	62.4	0	0	0	109.2	L680 L682 L699 L710 L723 L730 V732 L733 R734	L680-L708 HydrophobicContact CB-CD1 4.32Å; L682-L708 HydrophobicContact CD1-CD1 3.47Å; L682-L708 VanDerWaalsContact CD1-CD1 3.47Å; L699-L708 HydrophobicContact CD1-CD1 4.1Å; L699-L708 HydrophobicContact CD1-CD2 4.16Å; L708-L710 HydrophobicContact CD1-CD1 4.27Å; L708-L710 HydrophobicContact CD1-CG 4.22Å; L708-L710 HydrophobicContact CD2-CD1 3.71Å; L708-L710 HydrophobicContact CD2-CG 4.5Å; L708-L710 HydrophobicContact CG-CD1 3.81Å; L708-L710 HydrophobicContact CG-CG 4.07Å; L708-L723 HydrophobicContact CD2-CD2 4.39Å; L708-L730 HydrophobicContact CB-CD2 3.83Å; L708-L730 HydrophobicContact CD2-CD1 4.29Å; L708-L730 HydrophobicContact CD2-CD2 4.08Å; L708-V732 PolarHBondContact N-O 2.77Å; L708-L733 WeakPolarHBondContact O-CA 3.38Å; L708-R734 PolarHBondContact O-N 2.73Å
709	D	97.2	Very high	92.5	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.2	175.7	177.4	0.7	0	0	0	109.2	Y679 L680 K681 L682 T683 D711 R734	Y679-D709 HydrophobicContact CE1-CB 3.81Å; L680-D709 PolarHBondContact O-N 3.05Å; K681-D709 HydrophobicContact CB-CB 4.42Å; K681-D709 HydrophobicContact CG-CB 4.22Å; L682-D709 WeakPolarHBondContact CA-O 3.48Å; L682-D709 PolarHBondContact N-O 3.39Å; T683-D709 VanDerWaalsContact CG2-OD1 3.31Å; T683-D709 WeakPolarHBondContact CG2-OD1 3.25Å; D709-D711 WeakPolarHBondContact OD1-CB 3.34Å; D709-D711 PolarHBondContact OD1-N 3.14Å; D709-R734 HydrophobicContact CB-CB 4.16Å; D709-R734 HydrophobicContact CB-CG 4.2Å; D709-R734 IonicContact OD2-NE 3.8Å
710	L	97.2	Very high	92.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.154	C	C	.	.			trans	-121.7	23.1	179.6	-73.8	162.2	0	0	0	110.5	L682 L695 L708 N713 L715 L723 R734 L735 N738	L682-L710 HydrophobicContact CB-CD2 3.82Å; L682-L710 HydrophobicContact CD1-CD2 4.17Å; L682-L710 HydrophobicContact CG-CD2 4.5Å; L695-L710 HydrophobicContact CD1-CD2 3.98Å; L708-L710 HydrophobicContact CD1-CD1 4.27Å; L708-L710 HydrophobicContact CD1-CG 4.22Å; L708-L710 HydrophobicContact CD2-CD1 3.71Å; L708-L710 HydrophobicContact CD2-CG 4.5Å; L708-L710 HydrophobicContact CG-CD1 3.81Å; L708-L710 HydrophobicContact CG-CG 4.07Å; L710-N713 PolarHBondContact O-ND2 3.31Å; L710-L715 HydrophobicContact CB-CD1 3.88Å; L710-L715 HydrophobicContact CD1-CD1 3.91Å; L710-L715 HydrophobicContact CD2-CD1 4.49Å; L710-L715 HydrophobicContact CG-CD1 4.32Å; L710-L723 HydrophobicContact CD1-CD1 3.96Å; L710-L723 HydrophobicContact CD1-CD2 4.49Å; L710-R734 CarbonylContact C-O 3.56Å; L710-R734 WeakPolarHBondContact CA-O 3.33Å; L710-R734 PolarHBondContact N-O 2.94Å; L710-L735 HydrophobicContact CB-CD2 3.97Å; L710-L735 HydrophobicContact CD1-CD2 4.05Å; L710-N738 PolarHBondContact O-ND2 3.24Å
711	D	96.9	Very high	92.5	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	15%	0.153	C	C	.	.			trans	-57	145.2	177.7	-69.8	-17.3	0	0	0	110.8	T683 D709 N713 R734 L735 S736	T683-D711 VanDerWaalsContact CA-O 3.24Å; T683-D711 WeakPolarHBondContact CA-O 3.34Å; T683-D711 HydrophobicContact CG2-CB 4Å; D709-D711 WeakPolarHBondContact OD1-CB 3.34Å; D709-D711 PolarHBondContact OD1-N 3.14Å; D711-N713 PolarHBondContact O-ND2 3.38Å; D711-R734 WeakPolarHBondContact OD1-CB 3.15Å; D711-R734 IonicContact OD2-CZ 3.55Å; D711-R734 IonicContact OD2-NE 2.87Å; D711-R734 PolarHBondContact OD2-NE 3.44Å; D711-R734 IonicContact OD2-NH2 3.54Å; D711-L735 PolarHBondContact OD1-N 3.09Å; D711-S736 CarbonylContact C-O 3.57Å; D711-S736 VanDerWaalsContact CA-O 3.24Å; D711-S736 WeakPolarHBondContact CA-O 3.42Å; D711-S736 WeakPolarHBondContact OD1-CA 3.14Å; D711-S736 WeakPolarHBondContact OD1-CB 3.37Å; D711-S736 PolarHBondContact OD1-N 3.09Å; D711-S736 PolarHBondContact OD1-OG 3.21Å
712	N	92.8	Very high	92.3	Very high	34 Å²	34	31.8 Å²	31.8	18%	0.182	15%	0.149	C	C	.	.	S	Bend	trans	61.1	57.9	178.5	-53.7	-91.8	0	0	0	113.9	Y684 S736 V737	Y684-N712 WeakPolarHBondContact CA-O 3.31Å; Y684-N712 HydrophobicContact CD1-CB 3.57Å; Y684-N712 HydrophobicContact CD2-CB 4.31Å; Y684-N712 HydrophobicContact CE1-CB 3.34Å; Y684-N712 VanDerWaalsContact CE1-CG 3.43Å; Y684-N712 HydrophobicContact CE2-CB 4.12Å; Y684-N712 HydrophobicContact CG-CB 4.05Å; Y684-N712 PolarHBondContact N-O 3.4Å; Y684-N712 VanDerWaalsContact OH-CG 3.29Å; Y684-N712 PolarHBondContact OH-ND2 2.88Å; Y684-N712 PolarHBondContact OH-OD1 2.95Å; N712-S736 PolarHBondContact N-O 3.27Å; N712-V737 HydrophobicContact CB-CB 4.47Å; N712-V737 WeakPolarHBondContact OD1-CG2 3.27Å
713	N	88.5	Confident	92.4	Very high	17 Å²	17	31.6 Å²	31.6	9%	0.091	15%	0.148	C	C	.	.	S	Bend	trans	-135	-171.5	172.7	-73.1	-68.8	0	0	0	109.4	L682 C685 N686 A687 L710 D711 L715 V737 N738	L682-N713 PolarHBondContact O-ND2 3.45Å; C685-N713 PolarHBondContact N-OD1 3.14Å; N686-N713 PolarHBondContact N-OD1 3.33Å; A687-N713 HydrophobicContact CB-CB 4.18Å; A687-N713 PolarHBondContact N-OD1 3.42Å; L710-N713 PolarHBondContact O-ND2 3.31Å; D711-N713 PolarHBondContact O-ND2 3.38Å; N713-L715 HydrophobicContact CB-CD2 4.44Å; N713-L715 HydrophobicContact CB-CG 4.17Å; N713-V737 PolarHBondContact N-O 2.99Å; N713-N738 WeakPolarHBondContact CA-OD1 3.34Å; N713-N738 WeakPolarHBondContact CB-OD1 3.48Å; N713-N738 PolarHBondContact O-OD1 2.92Å; N713-N738 VanDerWaalsContact O-OD1 3.07Å
714	N	85.2	Confident	92.6	Very high	56 Å²	56	30.5 Å²	30.5	30%	0.299	14%	0.136	S	C	.	.	B	Isolated β-bridge	trans	-119.8	56.9	-179.4	-168.4	31.5	0	0	0	111.5	A687 S689 Q739	A687-N714 PolarHBondContact O-N 2.84Å; S689-N714 PolarHBondContact N-O 3.47Å; N714-Q739 PolarHBondContact OD1-NE2 2.74Å
715	L	89.2	Confident	92.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.126	C	C	.	.			trans	-83.6	-37.3	-171.5	-61.7	-174.3	0	0	0	114.6	A687 C688 S689 C692 L710 N713 G719 L735 N738	A687-L715 HydrophobicContact CB-CD2 4.19Å; C688-L715 WeakPolarHBondContact O-CD2 3.13Å; S689-L715 VanDerWaalsContact CB-O 3.23Å; S689-L715 WeakPolarHBondContact CB-O 3.18Å; S689-L715 PolarHBondContact OG-O 2.93Å; C692-L715 VanDerWaalsContact SG-CD2 3.52Å; L710-L715 HydrophobicContact CB-CD1 3.88Å; L710-L715 HydrophobicContact CD1-CD1 3.91Å; L710-L715 HydrophobicContact CD2-CD1 4.49Å; L710-L715 HydrophobicContact CG-CD1 4.32Å; N713-L715 HydrophobicContact CB-CD2 4.44Å; N713-L715 HydrophobicContact CB-CG 4.17Å; L715-G719 VanDerWaalsContact O-CA 3.23Å; L715-G719 WeakPolarHBondContact O-CA 3.4Å; L715-G719 PolarHBondContact O-N 3.4Å; L715-L735 HydrophobicContact CD1-CD2 3.78Å; L715-N738 HydrophobicContact CB-CB 4.34Å; L715-N738 WeakPolarHBondContact CB-OD1 3.4Å; L715-N738 WeakPolarHBondContact CG-OD1 3Å; L715-N738 PolarHBondContact N-OD1 2.97Å; L715-N738 VanDerWaalsContact N-OD1 3.17Å
716	N	87.7	Confident	92.8	Very high	41 Å²	41	20.7 Å²	20.7	22%	0.219	10%	0.103	C	C	.	.	H	α-helix	trans	47	-169.1	-173.3	70.6	50.2	0	0	0	114.3	S689 Y718 G719 V720 N738	S689-N716 VanDerWaalsContact OG-CG 3.31Å; S689-N716 PolarHBondContact OG-ND2 3.15Å; S689-N716 PolarHBondContact OG-OD1 2.81Å; N716-Y718 VanDerWaalsContact C-N 3.29Å; N716-Y718 PolarHBondContact O-N 2.98Å; N716-Y718 WeakPolarHBondContact OD1-CA 3.44Å; N716-Y718 WeakPolarHBondContact OD1-CB 3.15Å; N716-Y718 PolarHBondContact OD1-N 3.35Å; N716-G719 PolarHBondContact O-N 2.89Å; N716-V720 PolarHBondContact O-N 3.22Å; N716-N738 VanDerWaalsContact CA-O 3.26Å; N716-N738 WeakPolarHBondContact CA-O 3.24Å; N716-N738 PolarHBondContact N-O 3.17Å
717	D	90.5	Very high	92.8	Very high	21 Å²	21	20.7 Å²	20.7	11%	0.112	10%	0.103	C	C	.	.	H	α-helix	trans	-64.7	-32.3	-179.3	-66.1	-6.4	0	0	0	113.4	V720 R721 T741 G744	D717-V720 PolarHBondContact O-N 2.92Å; D717-R721 WeakPolarHBondContact O-CG 3.47Å; D717-R721 PolarHBondContact O-N 2.78Å; D717-R721 VanDerWaalsContact O-N 3.16Å; D717-T741 PolarHBondContact OD1-N 2.85Å; D717-T741 PolarHBondContact OD2-OG1 2.83Å; D717-G744 WeakPolarHBondContact OD1-CA 3.24Å; D717-G744 PolarHBondContact OD1-N 3.5Å; D717-G744 VanDerWaalsContact OD1-N 3.09Å; D717-G744 PolarHBondContact OD2-N 3.16Å
718	Y	88.1	Confident	92.7	Very high	23 Å²	23	21.7 Å²	21.7	9%	0.09	11%	0.11	C	C	.	.	H	α-helix	trans	-63.5	-45.1	177.3	-168.3	-82.9	0	0	0	110.1	Q377 A380 N716 V720 R721 E722	Q377-Y718 HydrophobicContact CB-CE2 4.42Å; Q377-Y718 HydrophobicContact CG-CE2 3.42Å; Q377-Y718 VanDerWaalsContact CG-CE2 3.42Å; Q377-Y718 VanDerWaalsContact CG-CZ 3.47Å; Q377-Y718 VanDerWaalsContact CG-OH 3.25Å; Q377-Y718 WeakPolarHBondContact CG-OH 3.4Å; Q377-Y718 PolarHBondContact NE2-OH 2.81Å; Q377-Y718 VanDerWaalsContact NE2-OH 3.09Å; A380-Y718 HydrophobicContact CB-CD1 3.39Å; A380-Y718 HydrophobicContact CB-CD2 4.38Å; A380-Y718 HydrophobicContact CB-CE1 3.89Å; A380-Y718 HydrophobicContact CB-CG 3.71Å; N716-Y718 VanDerWaalsContact C-N 3.29Å; N716-Y718 PolarHBondContact O-N 2.98Å; N716-Y718 WeakPolarHBondContact OD1-CA 3.44Å; N716-Y718 WeakPolarHBondContact OD1-CB 3.15Å; N716-Y718 PolarHBondContact OD1-N 3.35Å; Y718-V720 VanDerWaalsContact C-N 3.27Å; Y718-V720 PolarHBondContact O-N 3.39Å; Y718-R721 WeakPolarHBondContact O-CB 3.34Å; Y718-R721 PolarHBondContact O-N 3.37Å; Y718-R721 VanDerWaalsContact O-N 3.1Å; Y718-E722 HydrophobicContact CD1-CG 3.73Å; Y718-E722 HydrophobicContact CE1-CG 3.34Å; Y718-E722 WeakPolarHBondContact CE1-OE1 3.47Å; Y718-E722 WeakPolarHBondContact O-CG 3.31Å; Y718-E722 PolarHBondContact O-N 3.26Å; Y718-E722 PolarHBondContact OH-OE1 3.34Å
719	G	90	Very high	92.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.4	-34.1	178.5	0	0	0	0	0	112.5	C692 L715 N716 E722 L723	C692-G719 VanDerWaalsContact CB-O 3.26Å; C692-G719 WeakPolarHBondContact CB-O 3.21Å; C692-G719 PolarHBondContact SG-O 3.41Å; L715-G719 VanDerWaalsContact O-CA 3.23Å; L715-G719 WeakPolarHBondContact O-CA 3.4Å; L715-G719 PolarHBondContact O-N 3.4Å; N716-G719 PolarHBondContact O-N 2.89Å; G719-E722 PolarHBondContact O-N 3.24Å; G719-L723 WeakPolarHBondContact O-CG 3.16Å; G719-L723 PolarHBondContact O-N 3.18Å
720	V	94.8	Very high	92.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.4	-43.3	173.2	175.3	0	0	0	0	111.5	N716 D717 Y718 L723 F727 L735 I740 V747 L748	N716-V720 PolarHBondContact O-N 3.22Å; D717-V720 PolarHBondContact O-N 2.92Å; Y718-V720 VanDerWaalsContact C-N 3.27Å; Y718-V720 PolarHBondContact O-N 3.39Å; V720-L723 PolarHBondContact O-N 3.34Å; V720-F727 HydrophobicContact CG1-CZ 4.47Å; V720-L735 HydrophobicContact CG2-CD1 4.26Å; V720-I740 HydrophobicContact CG2-CD1 3.65Å; V720-I740 HydrophobicContact CG2-CG1 4.01Å; V720-I740 HydrophobicContact CG2-CG2 4.47Å; V720-V747 HydrophobicContact CG1-CB 4.11Å; V720-V747 HydrophobicContact CG1-CG1 4.09Å; V720-L748 HydrophobicContact CG1-CD2 3.6Å; V720-L748 HydrophobicContact CG1-CG 3.75Å
721	R	92.2	Very high	92.6	Very high	92 Å²	92	26 Å²	26	35%	0.347	13%	0.128	S	C	.	.	H	α-helix	trans	-61.6	-43.8	175.9	-68	178	-161.8	115.7	5.2	111.7	D717 Y718 L723 Q724 V747	D717-R721 WeakPolarHBondContact O-CG 3.47Å; D717-R721 PolarHBondContact O-N 2.78Å; D717-R721 VanDerWaalsContact O-N 3.16Å; Y718-R721 WeakPolarHBondContact O-CB 3.34Å; Y718-R721 PolarHBondContact O-N 3.37Å; Y718-R721 VanDerWaalsContact O-N 3.1Å; R721-L723 PolarHBondContact O-N 2.92Å; R721-Q724 WeakPolarHBondContact O-CB 3.22Å; R721-Q724 WeakPolarHBondContact O-CG 3.47Å; R721-Q724 PolarHBondContact O-N 3.31Å; R721-Q724 PolarHBondContact O-OE1 3.19Å; R721-V747 HydrophobicContact CG-CG1 4.3Å; R721-V747 HydrophobicContact CG-CG2 3.84Å
722	E	89.5	Confident	92.7	Very high	19 Å²	19	26.2 Å²	26.2	9%	0.089	13%	0.13	C	C	.	.	H	α-helix	trans	-65	-23.2	178.9	-67.3	-62.2	148.1	0	0	113.4	C692 S693 S696 Y718 G719 Q724 P725	C692-E722 HydrophobicContact CB-CB 3.57Å; S693-E722 WeakPolarHBondContact CB-OE2 3.35Å; S693-E722 WeakPolarHBondContact OG-CG 3.32Å; S693-E722 PolarHBondContact OG-OE2 3.19Å; S696-E722 WeakPolarHBondContact CB-O 3.31Å; S696-E722 PolarHBondContact OG-O 3.29Å; Y718-E722 HydrophobicContact CD1-CG 3.73Å; Y718-E722 HydrophobicContact CE1-CG 3.34Å; Y718-E722 WeakPolarHBondContact CE1-OE1 3.47Å; Y718-E722 WeakPolarHBondContact O-CG 3.31Å; Y718-E722 PolarHBondContact O-N 3.26Å; Y718-E722 PolarHBondContact OH-OE1 3.34Å; G719-E722 PolarHBondContact O-N 3.24Å; E722-Q724 VanDerWaalsContact C-N 3.3Å; E722-P725 WeakPolarHBondContact O-CD 3.43Å
723	L	95	Very high	92.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-14.3	172.5	-70.1	173	0	0	0	113.5	C692 L695 S696 L708 L710 G719 V720 R721 P725 C726 F727 L735	C692-L723 HydrophobicContact CB-CD2 3.88Å; C692-L723 HydrophobicContact CB-CG 3.82Å; L695-L723 HydrophobicContact CB-CD2 4.47Å; S696-L723 PolarHBondContact OG-O 3.25Å; L708-L723 HydrophobicContact CD2-CD2 4.39Å; L710-L723 HydrophobicContact CD1-CD1 3.96Å; L710-L723 HydrophobicContact CD1-CD2 4.49Å; G719-L723 WeakPolarHBondContact O-CG 3.16Å; G719-L723 PolarHBondContact O-N 3.18Å; V720-L723 PolarHBondContact O-N 3.34Å; R721-L723 PolarHBondContact O-N 2.92Å; L723-P725 VanDerWaalsContact C-CD 3.43Å; L723-P725 VanDerWaalsContact C-N 3.31Å; L723-P725 VanDerWaalsContact O-N 3.09Å; L723-C726 PolarHBondContact O-N 3.1Å; L723-C726 PolarHBondContact O-SG 3.46Å; L723-F727 VanDerWaalsContact C-CE2 3.45Å; L723-F727 HydrophobicContact CB-CD2 4.39Å; L723-F727 HydrophobicContact CB-CE2 3.66Å; L723-F727 HydrophobicContact CB-CZ 4.31Å; L723-F727 WeakPolarHBondContact O-CD2 3.28Å; L723-L735 HydrophobicContact CD1-CD2 4.18Å
724	Q	94.3	Very high	93.4	Very high	58 Å²	58	26.6 Å²	26.6	27%	0.271	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-43.3	-47.2	-174.5	-77.9	-177	-96.9	0	0	114	R721 E722 C726 F727 V747 E751	R721-Q724 WeakPolarHBondContact O-CB 3.22Å; R721-Q724 WeakPolarHBondContact O-CG 3.47Å; R721-Q724 PolarHBondContact O-N 3.31Å; R721-Q724 PolarHBondContact O-OE1 3.19Å; E722-Q724 VanDerWaalsContact C-N 3.3Å; Q724-C726 PolarHBondContact O-N 3.32Å; Q724-C726 VanDerWaalsContact O-N 3.15Å; Q724-F727 PolarHBondContact O-N 2.95Å; Q724-V747 HydrophobicContact CG-CG1 3.76Å; Q724-E751 HydrophobicContact CB-CG 4.46Å; Q724-E751 HydrophobicContact CG-CG 3.86Å; Q724-E751 PolarHBondContact NE2-OE1 2.99Å
725	P	93.1	Very high	94	Very high	66 Å²	66	23.9 Å²	23.9	43%	0.429	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-56.1	-34.2	178.8	-22.8	29.1	0	0	0	114.1	S696 H700 E722 L723	S696-P725 VanDerWaalsContact OG-CB 3.28Å; S696-P725 WeakPolarHBondContact OG-CB 3.48Å; S696-P725 VanDerWaalsContact OG-CD 3.25Å; S696-P725 WeakPolarHBondContact OG-CD 3.35Å; S696-P725 WeakPolarHBondContact OG-CG 3.38Å; H700-P725 HydrophobicContact CB-CB 4.18Å; H700-P725 PolarHBondContact ND1-O 3.33Å; E722-P725 WeakPolarHBondContact O-CD 3.43Å; L723-P725 VanDerWaalsContact C-CD 3.43Å; L723-P725 VanDerWaalsContact C-N 3.31Å; L723-P725 VanDerWaalsContact O-N 3.09Å
726	C	95.2	Very high	94.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-90.7	-6.1	-174	75.3	0	0	0	0	115.5	S696 L699 L723 Q724 S728 R729	S696-C726 PolarHBondContact OG-N 3.46Å; L699-C726 HydrophobicContact CB-CB 3.88Å; L723-C726 PolarHBondContact O-N 3.1Å; L723-C726 PolarHBondContact O-SG 3.46Å; Q724-C726 PolarHBondContact O-N 3.32Å; Q724-C726 VanDerWaalsContact O-N 3.15Å; C726-S728 PolarHBondContact O-N 3.32Å; C726-S728 VanDerWaalsContact O-N 3.1Å; C726-R729 WeakPolarHBondContact O-CB 3.38Å; C726-R729 PolarHBondContact O-N 3.4Å
727	F	96.6	Very high	94.8	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-57.1	-30.7	-177.4	-83.6	-94.6	0	0	0	114.4	V720 L723 Q724 R729 L730 L733 L748 E751 L752 Y755	V720-F727 HydrophobicContact CG1-CZ 4.47Å; L723-F727 VanDerWaalsContact C-CE2 3.45Å; L723-F727 HydrophobicContact CB-CD2 4.39Å; L723-F727 HydrophobicContact CB-CE2 3.66Å; L723-F727 HydrophobicContact CB-CZ 4.31Å; L723-F727 WeakPolarHBondContact O-CD2 3.28Å; Q724-F727 PolarHBondContact O-N 2.95Å; F727-R729 PolarHBondContact O-N 3Å; F727-L730 HydrophobicContact CD1-CD1 4.36Å; F727-L730 HydrophobicContact CG-CD1 4.45Å; F727-L730 PolarHBondContact O-N 3.25Å; F727-L730 VanDerWaalsContact O-N 3.1Å; F727-L733 HydrophobicContact CD1-CD2 4.44Å; F727-L733 HydrophobicContact CE1-CD2 3.59Å; F727-L733 HydrophobicContact CZ-CD2 4.18Å; F727-L748 HydrophobicContact CE1-CD2 3.57Å; F727-L748 HydrophobicContact CZ-CD2 3.53Å; F727-E751 HydrophobicContact CB-CB 4.01Å; F727-E751 HydrophobicContact CD1-CB 3.89Å; F727-E751 HydrophobicContact CD2-CB 4.17Å; F727-E751 HydrophobicContact CD2-CG 4.28Å; F727-E751 HydrophobicContact CE1-CB 4.41Å; F727-E751 HydrophobicContact CG-CB 3.75Å; F727-E751 HydrophobicContact CG-CG 4.33Å; F727-L752 HydrophobicContact CD1-CD2 3.58Å; F727-L752 HydrophobicContact CD1-CG 4.06Å; F727-L752 HydrophobicContact CE1-CD2 3.89Å; F727-L752 HydrophobicContact CE1-CG 4.08Å; F727-Y755 HydrophobicContact CB-CD2 3.97Å; F727-Y755 HydrophobicContact CB-CE2 3.97Å
728	S	95.4	Very high	94.9	Very high	21 Å²	21	22.9 Å²	22.9	15%	0.147	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-58.1	-13.3	175.3	63.2	0	0	0	0	114.7	R705 C726 I757	R705-S728 PolarHBondContact NH1-O 3.42Å; C726-S728 PolarHBondContact O-N 3.32Å; C726-S728 VanDerWaalsContact O-N 3.1Å; S728-I757 WeakPolarHBondContact O-CD1 3.45Å
729	R	95.5	Very high	95.1	Very high	78 Å²	78	27.4 Å²	27.4	29%	0.294	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-107.4	-16.3	-179.7	-53.1	-58.6	179.9	167	-3.2	113.6	F702 R705 L706 C726 F727	F702-R729 VanDerWaalsContact O-CD 3.28Å; F702-R729 WeakPolarHBondContact O-CD 3.49Å; F702-R729 PolarHBondContact O-NE 3.12Å; F702-R729 VanDerWaalsContact O-NE 3.08Å; F702-R729 PolarHBondContact O-NH1 3.1Å; R705-R729 CarbonylContact C-O 3.53Å; R705-R729 WeakPolarHBondContact CA-O 3.5Å; L706-R729 PolarHBondContact N-O 3.07Å; C726-R729 WeakPolarHBondContact O-CB 3.38Å; C726-R729 PolarHBondContact O-N 3.4Å; F727-R729 PolarHBondContact O-N 3Å
730	L	97.3	Very high	95.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	115.8	-164.9	-57.3	-178	0	0	0	112.7	L706 L708 F727 L733 I757	L706-L730 HydrophobicContact CB-CD2 4.35Å; L706-L730 HydrophobicContact CD2-CD2 4.19Å; L706-L730 HydrophobicContact CG-CD2 4.4Å; L706-L730 CarbonylContact O-C 3.56Å; L706-L730 WeakPolarHBondContact O-CA 3.32Å; L708-L730 HydrophobicContact CB-CD2 3.83Å; L708-L730 HydrophobicContact CD2-CD1 4.29Å; L708-L730 HydrophobicContact CD2-CD2 4.08Å; F727-L730 HydrophobicContact CD1-CD1 4.36Å; F727-L730 HydrophobicContact CG-CD1 4.45Å; F727-L730 PolarHBondContact O-N 3.25Å; F727-L730 VanDerWaalsContact O-N 3.1Å; L730-L733 HydrophobicContact CD1-CD1 4.17Å; L730-I757 WeakPolarHBondContact O-CD1 3.38Å; L730-I757 WeakPolarHBondContact O-CG1 3.29Å
731	T	96.8	Very high	95.4	Very high	15 Å²	15	30 Å²	30	9%	0.092	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-32.3	173.1	49.8	0	0	0	0	112.4	R705 L706 I757 V758 T759 Y760	R705-T731 HydrophobicContact CB-CG2 3.57Å; R705-T731 HydrophobicContact CG-CG2 3.68Å; L706-T731 PolarHBondContact O-N 3.31Å; L706-T731 PolarHBondContact O-OG1 2.78Å; T731-I757 WeakPolarHBondContact CG2-O 3.44Å; T731-V758 CarbonylContact O-C 3.55Å; T731-V758 WeakPolarHBondContact O-CA 3.24Å; T731-T759 PolarHBondContact O-N 3.46Å; T731-T759 PolarHBondContact O-OG1 2.93Å; T731-Y760 PolarHBondContact O-N 3.05Å
732	V	98	Very high	95.7	Very high	9 Å²	9	27 Å²	27	6%	0.055	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.8	173.2	169.5	0	0	0	0	106.5	F643 Y679 A707 L708 R734 Y760	F643-V732 HydrophobicContact CE2-CG2 4.15Å; F643-V732 HydrophobicContact CZ-CG2 3.76Å; Y679-V732 HydrophobicContact CE2-CG1 4.36Å; A707-V732 HydrophobicContact CB-CB 3.52Å; A707-V732 HydrophobicContact CB-CG1 4.11Å; A707-V732 HydrophobicContact CB-CG2 3.92Å; L708-V732 PolarHBondContact N-O 2.77Å; V732-R734 HydrophobicContact CG1-CG 4.02Å; V732-Y760 HydrophobicContact CG1-CD1 4Å; V732-Y760 HydrophobicContact CG1-CG 4.04Å
733	L	98.5	Very high	95.9	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	116.2	176.7	-179	55.3	0	0	0	109.1	L708 F727 L730 L735 L748 L752 Y760 L761 G762	L708-L733 WeakPolarHBondContact O-CA 3.38Å; F727-L733 HydrophobicContact CD1-CD2 4.44Å; F727-L733 HydrophobicContact CE1-CD2 3.59Å; F727-L733 HydrophobicContact CZ-CD2 4.18Å; L730-L733 HydrophobicContact CD1-CD1 4.17Å; L733-L735 HydrophobicContact CD1-CD1 3.84Å; L733-L735 HydrophobicContact CD1-CD2 4.09Å; L733-L735 HydrophobicContact CD1-CG 3.7Å; L733-L735 HydrophobicContact CD2-CD1 3.79Å; L733-L735 HydrophobicContact CD2-CG 4.48Å; L733-L735 HydrophobicContact CG-CD1 3.76Å; L733-L735 HydrophobicContact CG-CG 3.91Å; L733-L748 HydrophobicContact CD2-CD2 3.8Å; L733-L752 HydrophobicContact CD2-CD2 4.45Å; L733-Y760 PolarHBondContact N-O 3.46Å; L733-L761 HydrophobicContact CB-CD1 4.4Å; L733-L761 HydrophobicContact CD2-CD1 4.45Å; L733-L761 HydrophobicContact CG-CD1 4.47Å; L733-L761 WeakPolarHBondContact O-CA 3.45Å; L733-G762 PolarHBondContact O-N 3.49Å
734	R	98.4	Very high	95.9	Very high	57 Å²	57	27.4 Å²	27.4	22%	0.215	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.5	175.4	-43	-178.4	59.2	132.1	-5.3	109.1	Y679 L708 D709 L710 D711 V732 Y760	Y679-R734 WeakPolarHBondContact OH-CD 3.45Å; L708-R734 PolarHBondContact O-N 2.73Å; D709-R734 HydrophobicContact CB-CB 4.16Å; D709-R734 HydrophobicContact CB-CG 4.2Å; D709-R734 IonicContact OD2-NE 3.8Å; L710-R734 CarbonylContact C-O 3.56Å; L710-R734 WeakPolarHBondContact CA-O 3.33Å; L710-R734 PolarHBondContact N-O 2.94Å; D711-R734 WeakPolarHBondContact OD1-CB 3.15Å; D711-R734 IonicContact OD2-CZ 3.55Å; D711-R734 IonicContact OD2-NE 2.87Å; D711-R734 PolarHBondContact OD2-NE 3.44Å; D711-R734 IonicContact OD2-NH2 3.54Å; V732-R734 HydrophobicContact CG1-CG 4.02Å; R734-Y760 HydrophobicContact CG-CD1 3.9Å; R734-Y760 HydrophobicContact CG-CE1 3.68Å; R734-Y760 VanDerWaalsContact CZ-OH 3.26Å; R734-Y760 PolarHBondContact NH1-OH 3.35Å; R734-Y760 VanDerWaalsContact NH1-OH 3.13Å; R734-Y760 PolarHBondContact NH2-OH 3.5Å
735	L	98.3	Very high	96.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.			trans	-135.3	34.5	-173.9	-67.2	172	0	0	0	110.4	L710 D711 L715 V720 L723 L733 N738 I740 L748 G762 L763 N766	L710-L735 HydrophobicContact CB-CD2 3.97Å; L710-L735 HydrophobicContact CD1-CD2 4.05Å; D711-L735 PolarHBondContact OD1-N 3.09Å; L715-L735 HydrophobicContact CD1-CD2 3.78Å; V720-L735 HydrophobicContact CG2-CD1 4.26Å; L723-L735 HydrophobicContact CD1-CD2 4.18Å; L733-L735 HydrophobicContact CD1-CD1 3.84Å; L733-L735 HydrophobicContact CD1-CD2 4.09Å; L733-L735 HydrophobicContact CD1-CG 3.7Å; L733-L735 HydrophobicContact CD2-CD1 3.79Å; L733-L735 HydrophobicContact CD2-CG 4.48Å; L733-L735 HydrophobicContact CG-CD1 3.76Å; L733-L735 HydrophobicContact CG-CG 3.91Å; L735-N738 PolarHBondContact O-ND2 3.36Å; L735-I740 HydrophobicContact CB-CD1 3.65Å; L735-I740 HydrophobicContact CD1-CD1 4.14Å; L735-I740 HydrophobicContact CG-CD1 4.4Å; L735-L748 HydrophobicContact CD1-CD1 4.28Å; L735-L748 HydrophobicContact CD1-CD2 3.94Å; L735-G762 PolarHBondContact N-O 3.37Å; L735-L763 HydrophobicContact CB-CD2 3.98Å; L735-L763 HydrophobicContact CD1-CD2 4.47Å; L735-N766 PolarHBondContact O-ND2 3.32Å
736	S	98	Very high	96.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.			trans	-78.5	149.7	-176.9	-39.4	0	0	0	0	110.2	D711 N712 N738 Y764	D711-S736 CarbonylContact C-O 3.57Å; D711-S736 VanDerWaalsContact CA-O 3.24Å; D711-S736 WeakPolarHBondContact CA-O 3.42Å; D711-S736 WeakPolarHBondContact OD1-CA 3.14Å; D711-S736 WeakPolarHBondContact OD1-CB 3.37Å; D711-S736 PolarHBondContact OD1-N 3.09Å; D711-S736 PolarHBondContact OD1-OG 3.21Å; N712-S736 PolarHBondContact N-O 3.27Å; S736-N738 PolarHBondContact O-ND2 3.42Å; S736-Y764 CarbonylContact C-O 3.19Å; S736-Y764 WeakPolarHBondContact CA-O 3.06Å; S736-Y764 WeakPolarHBondContact CB-O 3.38Å; S736-Y764 WeakPolarHBondContact OG-CD1 3.42Å; S736-Y764 WeakPolarHBondContact OG-CE1 3.47Å
737	V	94.7	Very high	96.5	Very high	40 Å²	40	26.2 Å²	26.2	24%	0.242	14%	0.135	C	C	.	.	S	Bend	trans	56.3	58.8	-178.1	-163.4	0	0	0	0	110.9	N712 N713 Y764 N765	N712-V737 HydrophobicContact CB-CB 4.47Å; N712-V737 WeakPolarHBondContact OD1-CG2 3.27Å; N713-V737 PolarHBondContact N-O 2.99Å; V737-Y764 HydrophobicContact CG2-CD2 4.41Å; V737-Y764 HydrophobicContact CG2-CE2 3.73Å; V737-Y764 PolarHBondContact N-O 3.05Å; V737-N765 WeakPolarHBondContact CA-O 3.36Å; V737-N765 HydrophobicContact CG2-CB 3.8Å; V737-N765 PolarHBondContact N-O 3.45Å
738	N	92.4	Very high	96.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-139.5	8.8	-175.8	-88.5	-74.2	0	0	0	114.5	L710 N713 L715 N716 L735 S736 I740 N766	L710-N738 PolarHBondContact O-ND2 3.24Å; N713-N738 WeakPolarHBondContact CA-OD1 3.34Å; N713-N738 WeakPolarHBondContact CB-OD1 3.48Å; N713-N738 PolarHBondContact O-OD1 2.92Å; N713-N738 VanDerWaalsContact O-OD1 3.07Å; L715-N738 HydrophobicContact CB-CB 4.34Å; L715-N738 WeakPolarHBondContact CB-OD1 3.4Å; L715-N738 WeakPolarHBondContact CG-OD1 3Å; L715-N738 PolarHBondContact N-OD1 2.97Å; L715-N738 VanDerWaalsContact N-OD1 3.17Å; N716-N738 VanDerWaalsContact CA-O 3.26Å; N716-N738 WeakPolarHBondContact CA-O 3.24Å; N716-N738 PolarHBondContact N-O 3.17Å; L735-N738 PolarHBondContact O-ND2 3.36Å; S736-N738 PolarHBondContact O-ND2 3.42Å; N738-I740 HydrophobicContact CB-CD1 4.06Å; N738-I740 HydrophobicContact CB-CG1 4.06Å; N738-I740 PolarHBondContact O-N 2.88Å; N738-N766 PolarHBondContact N-OD1 3.41Å
739	Q	92.1	Very high	96.7	Very high	118 Å²	118	25.2 Å²	25.2	55%	0.551	13%	0.128	S	C	*	.			trans	57.8	30.2	-179.1	-51.3	-177.2	61.4	0	0	114.1	N714 N766	N714-Q739 PolarHBondContact OD1-NE2 2.74Å; Q739-N766 PolarHBondContact N-OD1 2.91Å
740	I	95.1	Very high	96.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.			trans	-72.5	132.5	177.6	-64.8	170.3	0	0	0	109.5	V720 L735 N738 V745 L763 N766 Q767	V720-I740 HydrophobicContact CG2-CD1 3.65Å; V720-I740 HydrophobicContact CG2-CG1 4.01Å; V720-I740 HydrophobicContact CG2-CG2 4.47Å; L735-I740 HydrophobicContact CB-CD1 3.65Å; L735-I740 HydrophobicContact CD1-CD1 4.14Å; L735-I740 HydrophobicContact CG-CD1 4.4Å; N738-I740 HydrophobicContact CB-CD1 4.06Å; N738-I740 HydrophobicContact CB-CG1 4.06Å; N738-I740 PolarHBondContact O-N 2.88Å; I740-V745 HydrophobicContact CG2-CG2 4.12Å; I740-L763 HydrophobicContact CD1-CD2 4.37Å; I740-N766 HydrophobicContact CB-CB 4.28Å; I740-N766 PolarHBondContact N-OD1 3.35Å; I740-N766 WeakPolarHBondContact O-CB 3.4Å; I740-Q767 CarbonylContact O-C 3.51Å; I740-Q767 WeakPolarHBondContact O-CA 3.45Å; I740-Q767 PolarHBondContact O-N 2.95Å
741	T	96.6	Very high	96.9	Very high	56 Å²	56	26.6 Å²	26.6	34%	0.344	14%	0.138	S	C	.	.	B	Isolated β-bridge	trans	-103	-179.4	176.1	90.2	0	0	0	0	110.8	D717 G743 G744 V745 Q767	D717-T741 PolarHBondContact OD1-N 2.85Å; D717-T741 PolarHBondContact OD2-OG1 2.83Å; T741-G743 PolarHBondContact O-N 2.93Å; T741-G743 VanDerWaalsContact O-N 3.12Å; T741-G743 PolarHBondContact OG1-N 3.45Å; T741-G743 VanDerWaalsContact OG1-N 3.16Å; T741-G744 PolarHBondContact O-N 2.84Å; T741-V745 WeakPolarHBondContact O-CG2 3.41Å; T741-V745 PolarHBondContact O-N 3.24Å; T741-V745 VanDerWaalsContact O-N 3.13Å; T741-Q767 HydrophobicContact CG2-CB 4.21Å
742	D	98.2	Very high	96.9	Very high	28 Å²	28	26.1 Å²	26.1	15%	0.15	13%	0.134	C	C	.	.	H	α-helix	trans	-54.2	-30.5	174.1	-54.3	-37.3	0	0	0	112.9	V745 K746 T769 V771 G772	D742-V745 PolarHBondContact O-N 3.26Å; D742-K746 WeakPolarHBondContact O-CB 3.14Å; D742-K746 PolarHBondContact O-N 3.17Å; D742-T769 PolarHBondContact OD1-N 3.26Å; D742-T769 PolarHBondContact OD1-OG1 2.87Å; D742-T769 PolarHBondContact OD2-OG1 2.85Å; D742-V771 HydrophobicContact CB-CB 4.29Å; D742-V771 HydrophobicContact CB-CG1 4.24Å; D742-G772 VanDerWaalsContact CG-N 3.27Å; D742-G772 WeakPolarHBondContact OD1-CA 3.34Å; D742-G772 PolarHBondContact OD1-N 3.38Å
743	G	95.3	Very high	96.9	Very high	27 Å²	27	26.1 Å²	26.1	28%	0.278	14%	0.135	S	C	.	.	H	α-helix	trans	-63.3	-40.6	176.4	0	0	0	0	0	113.1	T741 K746	T741-G743 PolarHBondContact O-N 2.93Å; T741-G743 VanDerWaalsContact O-N 3.12Å; T741-G743 PolarHBondContact OG1-N 3.45Å; T741-G743 VanDerWaalsContact OG1-N 3.16Å; G743-K746 WeakPolarHBondContact O-CB 3.21Å
744	G	94.6	Very high	96.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-72.5	-39.1	174.1	0	0	0	0	0	111.7	D717 T741 K746 V747 L748	D717-G744 WeakPolarHBondContact OD1-CA 3.24Å; D717-G744 PolarHBondContact OD1-N 3.5Å; D717-G744 VanDerWaalsContact OD1-N 3.09Å; D717-G744 PolarHBondContact OD2-N 3.16Å; T741-G744 PolarHBondContact O-N 2.84Å; G744-K746 VanDerWaalsContact C-N 3.29Å; G744-K746 PolarHBondContact O-N 3.35Å; G744-V747 WeakPolarHBondContact O-CB 3.39Å; G744-V747 PolarHBondContact O-N 3.02Å; G744-V747 VanDerWaalsContact O-N 3.13Å; G744-L748 WeakPolarHBondContact O-CG 3.46Å; G744-L748 PolarHBondContact O-N 3.48Å
745	V	98.6	Very high	96.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.9	-34.5	175.9	-174.8	0	0	0	0	112	I740 T741 D742 V747 L748 S749 I768 G772 V776	I740-V745 HydrophobicContact CG2-CG2 4.12Å; T741-V745 WeakPolarHBondContact O-CG2 3.41Å; T741-V745 PolarHBondContact O-N 3.24Å; T741-V745 VanDerWaalsContact O-N 3.13Å; D742-V745 PolarHBondContact O-N 3.26Å; V745-V747 VanDerWaalsContact C-N 3.33Å; V745-V747 PolarHBondContact O-N 2.9Å; V745-L748 WeakPolarHBondContact O-CB 3.21Å; V745-L748 PolarHBondContact O-N 2.87Å; V745-S749 WeakPolarHBondContact O-CB 3.25Å; V745-S749 PolarHBondContact O-N 3.3Å; V745-I768 HydrophobicContact CG2-CD1 3.6Å; V745-I768 HydrophobicContact CG2-CG1 3.69Å; V745-I768 HydrophobicContact CG2-CG2 4.27Å; V745-G772 WeakPolarHBondContact CG1-O 3.04Å; V745-V776 HydrophobicContact CG1-CG2 3.56Å
746	K	98.6	Very high	96.8	Very high	88 Å²	88	38.4 Å²	38.4	38%	0.383	19%	0.188	S	C	.	.	H	α-helix	trans	-56.1	-47.7	171.4	-178.1	-177.3	173.5	-174.8	0	111.5	D742 G743 G744 S749 E750 Y775	D742-K746 WeakPolarHBondContact O-CB 3.14Å; D742-K746 PolarHBondContact O-N 3.17Å; G743-K746 WeakPolarHBondContact O-CB 3.21Å; G744-K746 VanDerWaalsContact C-N 3.29Å; G744-K746 PolarHBondContact O-N 3.35Å; K746-S749 WeakPolarHBondContact O-CB 3.47Å; K746-S749 PolarHBondContact O-N 3.38Å; K746-S749 VanDerWaalsContact O-N 3.16Å; K746-E750 WeakPolarHBondContact CE-OE1 3.32Å; K746-E750 WeakPolarHBondContact O-CG 3.33Å; K746-E750 PolarHBondContact O-N 2.99Å; K746-Y775 HydrophobicContact CB-CD1 4.42Å; K746-Y775 HydrophobicContact CB-CD2 3.86Å; K746-Y775 HydrophobicContact CB-CE1 4.25Å; K746-Y775 HydrophobicContact CB-CE2 3.66Å; K746-Y775 HydrophobicContact CB-CG 4.26Å; K746-Y775 HydrophobicContact CD-CE1 4.47Å; K746-Y775 HydrophobicContact CD-CE2 4.41Å; K746-Y775 HydrophobicContact CG-CD1 4.36Å; K746-Y775 HydrophobicContact CG-CE1 3.88Å; K746-Y775 HydrophobicContact CG-CE2 4.05Å
747	V	97.4	Very high	96.7	Very high	11 Å²	11	39.7 Å²	39.7	7%	0.067	20%	0.195	C	C	.	.	H	α-helix	trans	-64.4	-43.2	178.1	178.5	0	0	0	0	110.9	V720 R721 Q724 G744 V745 S749 E750 E751	V720-V747 HydrophobicContact CG1-CB 4.11Å; V720-V747 HydrophobicContact CG1-CG1 4.09Å; R721-V747 HydrophobicContact CG-CG1 4.3Å; R721-V747 HydrophobicContact CG-CG2 3.84Å; Q724-V747 HydrophobicContact CG-CG1 3.76Å; G744-V747 WeakPolarHBondContact O-CB 3.39Å; G744-V747 PolarHBondContact O-N 3.02Å; G744-V747 VanDerWaalsContact O-N 3.13Å; V745-V747 VanDerWaalsContact C-N 3.33Å; V745-V747 PolarHBondContact O-N 2.9Å; V747-S749 PolarHBondContact O-N 3.45Å; V747-E750 PolarHBondContact O-N 3.28Å; V747-E751 PolarHBondContact O-N 2.87Å
748	L	98.4	Very high	96.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-56.4	-43	172.8	-66.7	177.4	0	0	0	111.2	V720 F727 L733 L735 G744 V745 L752 L763 I779	V720-L748 HydrophobicContact CG1-CD2 3.6Å; V720-L748 HydrophobicContact CG1-CG 3.75Å; F727-L748 HydrophobicContact CE1-CD2 3.57Å; F727-L748 HydrophobicContact CZ-CD2 3.53Å; L733-L748 HydrophobicContact CD2-CD2 3.8Å; L735-L748 HydrophobicContact CD1-CD1 4.28Å; L735-L748 HydrophobicContact CD1-CD2 3.94Å; G744-L748 WeakPolarHBondContact O-CG 3.46Å; G744-L748 PolarHBondContact O-N 3.48Å; V745-L748 WeakPolarHBondContact O-CB 3.21Å; V745-L748 PolarHBondContact O-N 2.87Å; L748-L752 HydrophobicContact CB-CD1 4.14Å; L748-L752 WeakPolarHBondContact O-CB 3.42Å; L748-L752 WeakPolarHBondContact O-CG 3.22Å; L748-L752 PolarHBondContact O-N 3.4Å; L748-L763 HydrophobicContact CD1-CD1 3.96Å; L748-L763 HydrophobicContact CD1-CD2 3.58Å; L748-L763 HydrophobicContact CD1-CG 4.38Å; L748-I779 HydrophobicContact CB-CD1 4.32Å
749	S	98.5	Very high	97.1	Very high	1 Å²	1	40 Å²	40	1%	0.007	20%	0.197	C	C	.	.	H	α-helix	trans	-62.2	-49.1	178.9	-163.8	0	0	0	0	111.2	V745 K746 V747 E751 T753 Y775	V745-S749 WeakPolarHBondContact O-CB 3.25Å; V745-S749 PolarHBondContact O-N 3.3Å; K746-S749 WeakPolarHBondContact O-CB 3.47Å; K746-S749 PolarHBondContact O-N 3.38Å; K746-S749 VanDerWaalsContact O-N 3.16Å; V747-S749 PolarHBondContact O-N 3.45Å; S749-E751 PolarHBondContact O-N 2.95Å; S749-T753 WeakPolarHBondContact O-CB 3.42Å; S749-T753 VanDerWaalsContact O-CG2 3.23Å; S749-T753 WeakPolarHBondContact O-CG2 3.38Å; S749-T753 PolarHBondContact O-N 3.04Å; S749-T753 VanDerWaalsContact O-N 3.13Å; S749-T753 PolarHBondContact O-OG1 2.84Å; S749-Y775 PolarHBondContact OG-O 3.18Å
750	E	98.1	Very high	97.4	Very high	87 Å²	87	35.8 Å²	35.8	41%	0.407	18%	0.176	S	C	.	.	H	α-helix	trans	-61.5	-43.5	179.6	-70.2	168.7	178.9	0	0	112.9	K746 V747 K754	K746-E750 WeakPolarHBondContact CE-OE1 3.32Å; K746-E750 WeakPolarHBondContact O-CG 3.33Å; K746-E750 PolarHBondContact O-N 2.99Å; V747-E750 PolarHBondContact O-N 3.28Å; E750-K754 WeakPolarHBondContact O-CB 3.49Å; E750-K754 PolarHBondContact O-N 3.38Å
751	E	97.8	Very high	97.6	Very high	20 Å²	20	35.8 Å²	35.8	9%	0.093	18%	0.176	C	C	.	.	H	α-helix	trans	-81.8	-41.2	-178.3	-66.4	-55.2	149.9	0	0	113.7	Q724 F727 V747 S749 K754 Y755	Q724-E751 HydrophobicContact CB-CG 4.46Å; Q724-E751 HydrophobicContact CG-CG 3.86Å; Q724-E751 PolarHBondContact NE2-OE1 2.99Å; F727-E751 HydrophobicContact CB-CB 4.01Å; F727-E751 HydrophobicContact CD1-CB 3.89Å; F727-E751 HydrophobicContact CD2-CB 4.17Å; F727-E751 HydrophobicContact CD2-CG 4.28Å; F727-E751 HydrophobicContact CE1-CB 4.41Å; F727-E751 HydrophobicContact CG-CB 3.75Å; F727-E751 HydrophobicContact CG-CG 4.33Å; V747-E751 PolarHBondContact O-N 2.87Å; S749-E751 PolarHBondContact O-N 2.95Å; E751-K754 WeakPolarHBondContact O-CB 3.38Å; E751-K754 PolarHBondContact O-N 3.34Å; E751-K754 IonicContact OE2-NZ 3.81Å; E751-Y755 WeakPolarHBondContact O-CD2 3.4Å; E751-Y755 PolarHBondContact O-N 3.49Å
752	L	98.3	Very high	97.7	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.026	16%	0.16	C	C	.	.	H	α-helix	trans	-68.4	-38.3	-178.7	-64.8	173.4	0	0	0	111	F727 L733 L748 K754 Y755 K756 V758 L761 I779 C783	F727-L752 HydrophobicContact CD1-CD2 3.58Å; F727-L752 HydrophobicContact CD1-CG 4.06Å; F727-L752 HydrophobicContact CE1-CD2 3.89Å; F727-L752 HydrophobicContact CE1-CG 4.08Å; L733-L752 HydrophobicContact CD2-CD2 4.45Å; L748-L752 HydrophobicContact CB-CD1 4.14Å; L748-L752 WeakPolarHBondContact O-CB 3.42Å; L748-L752 WeakPolarHBondContact O-CG 3.22Å; L748-L752 PolarHBondContact O-N 3.4Å; L752-K754 VanDerWaalsContact C-N 3.29Å; L752-K754 PolarHBondContact O-N 2.99Å; L752-Y755 PolarHBondContact O-N 3.49Å; L752-K756 WeakPolarHBondContact O-CA 3.38Å; L752-K756 PolarHBondContact O-N 3.26Å; L752-V758 HydrophobicContact CB-CG1 4.28Å; L752-V758 HydrophobicContact CD2-CB 4.06Å; L752-V758 HydrophobicContact CD2-CG1 4.22Å; L752-V758 HydrophobicContact CD2-CG2 4.35Å; L752-L761 HydrophobicContact CD1-CD1 4.12Å; L752-L761 HydrophobicContact CD1-CD2 4.19Å; L752-I779 HydrophobicContact CB-CG2 4.46Å; L752-I779 HydrophobicContact CD1-CD1 4.06Å; L752-I779 HydrophobicContact CD1-CG2 4.47Å; L752-C783 PolarHBondContact O-SG 2.71Å
753	T	97.8	Very high	97.7	Very high	10 Å²	10	31.8 Å²	31.8	6%	0.061	15%	0.153	C	C	.	.	H	α-helix	trans	-74.2	-20.9	175.5	72.5	0	0	0	0	113.1	S749 K756 K778 I779 E782	S749-T753 WeakPolarHBondContact O-CB 3.42Å; S749-T753 VanDerWaalsContact O-CG2 3.23Å; S749-T753 WeakPolarHBondContact O-CG2 3.38Å; S749-T753 PolarHBondContact O-N 3.04Å; S749-T753 VanDerWaalsContact O-N 3.13Å; S749-T753 PolarHBondContact O-OG1 2.84Å; T753-K756 WeakPolarHBondContact O-CE 3.45Å; T753-K756 WeakPolarHBondContact O-CG 3.44Å; T753-K778 HydrophobicContact CG2-CG 4.33Å; T753-I779 HydrophobicContact CG2-CG1 4.29Å; T753-E782 HydrophobicContact CG2-CB 3.68Å; T753-E782 HydrophobicContact CG2-CG 4.11Å
754	K	97.9	Very high	97.8	Very high	129 Å²	129	32.8 Å²	32.8	56%	0.561	15%	0.148	S	C	*	.	H	α-helix	trans	-67.6	-41.4	171.2	178.6	-177.1	177.1	-172.1	0	112.3	E750 E751 L752	E750-K754 WeakPolarHBondContact O-CB 3.49Å; E750-K754 PolarHBondContact O-N 3.38Å; E751-K754 WeakPolarHBondContact O-CB 3.38Å; E751-K754 PolarHBondContact O-N 3.34Å; E751-K754 IonicContact OE2-NZ 3.81Å; L752-K754 VanDerWaalsContact C-N 3.29Å; L752-K754 PolarHBondContact O-N 2.99Å
755	Y	96.8	Very high	98	Very high	81 Å²	81	36.1 Å²	36.1	32%	0.318	17%	0.166	S	C	.	.	H	α-helix	trans	-96.9	-28.6	-175.8	-61.7	-66.5	0	0	0	114.6	F727 E751 L752 I757	F727-Y755 HydrophobicContact CB-CD2 3.97Å; F727-Y755 HydrophobicContact CB-CE2 3.97Å; E751-Y755 WeakPolarHBondContact O-CD2 3.4Å; E751-Y755 PolarHBondContact O-N 3.49Å; L752-Y755 PolarHBondContact O-N 3.49Å; Y755-I757 VanDerWaalsContact C-N 3.28Å; Y755-I757 VanDerWaalsContact O-CG2 3.3Å; Y755-I757 WeakPolarHBondContact O-CG2 3.34Å; Y755-I757 PolarHBondContact O-N 2.98Å
756	K	96.9	Very high	97.9	Very high	105 Å²	105	36.3 Å²	36.3	46%	0.457	17%	0.167	S	C	.	.			trans	56.5	32.1	173.6	-51.2	-170.9	178.2	-163.7	0	115.5	L752 T753 E782	L752-K756 WeakPolarHBondContact O-CA 3.38Å; L752-K756 PolarHBondContact O-N 3.26Å; T753-K756 WeakPolarHBondContact O-CE 3.45Å; T753-K756 WeakPolarHBondContact O-CG 3.44Å; K756-E782 VanDerWaalsContact CE-OE2 3.29Å; K756-E782 WeakPolarHBondContact CE-OE2 3.4Å; K756-E782 IonicContact NZ-OE2 3.91Å; K756-E782 PolarHBondContact NZ-OE2 3.09Å
757	I	96.7	Very high	97.9	Very high	28 Å²	28	36 Å²	36	14%	0.144	17%	0.167	C	C	.	.			trans	-110.4	-5.4	-175.4	57.5	166.8	0	0	0	113.6	S728 L730 T731 Y755	S728-I757 WeakPolarHBondContact O-CD1 3.45Å; L730-I757 WeakPolarHBondContact O-CD1 3.38Å; L730-I757 WeakPolarHBondContact O-CG1 3.29Å; T731-I757 WeakPolarHBondContact CG2-O 3.44Å; Y755-I757 VanDerWaalsContact C-N 3.28Å; Y755-I757 VanDerWaalsContact O-CG2 3.3Å; Y755-I757 WeakPolarHBondContact O-CG2 3.34Å; Y755-I757 PolarHBondContact O-N 2.98Å
758	V	98.1	Very high	97.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.164	C	C	.	.			trans	-73.5	131.5	-176.4	63.5	0	0	0	0	110.7	T731 L752 Y760 C783 G785 L786	T731-V758 CarbonylContact O-C 3.55Å; T731-V758 WeakPolarHBondContact O-CA 3.24Å; L752-V758 HydrophobicContact CB-CG1 4.28Å; L752-V758 HydrophobicContact CD2-CB 4.06Å; L752-V758 HydrophobicContact CD2-CG1 4.22Å; L752-V758 HydrophobicContact CD2-CG2 4.35Å; V758-Y760 WeakPolarHBondContact CG2-O 3.46Å; V758-C783 HydrophobicContact CG1-CB 3.95Å; V758-G785 CarbonylContact O-C 3.31Å; V758-L786 HydrophobicContact CG1-CD1 4.26Å; V758-L786 HydrophobicContact CG2-CD1 4.13Å; V758-L786 WeakPolarHBondContact O-CA 3.39Å; V758-L786 PolarHBondContact O-N 3Å
759	T	97.7	Very high	97.9	Very high	47 Å²	47	37.6 Å²	37.6	29%	0.288	18%	0.177	S	C	.	.	S	Bend	trans	-111.4	-26.1	176.8	62.2	0	0	0	0	112.1	T731 G785 T787 H788	T731-T759 PolarHBondContact O-N 3.46Å; T731-T759 PolarHBondContact O-OG1 2.93Å; T759-G785 WeakPolarHBondContact CA-O 3.3Å; T759-T787 PolarHBondContact O-N 3.38Å; T759-T787 PolarHBondContact O-OG1 2.81Å; T759-H788 PolarHBondContact O-N 2.62Å; T759-H788 VanDerWaalsContact O-N 3.08Å
760	Y	98.4	Very high	97.9	Very high	29 Å²	29	38.7 Å²	38.7	11%	0.114	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	127.7	177.9	-174.1	-68.7	0	0	0	110.4	T731 V732 L733 R734 V758 H788 K790	T731-Y760 PolarHBondContact O-N 3.05Å; V732-Y760 HydrophobicContact CG1-CD1 4Å; V732-Y760 HydrophobicContact CG1-CG 4.04Å; L733-Y760 PolarHBondContact N-O 3.46Å; R734-Y760 HydrophobicContact CG-CD1 3.9Å; R734-Y760 HydrophobicContact CG-CE1 3.68Å; R734-Y760 VanDerWaalsContact CZ-OH 3.26Å; R734-Y760 PolarHBondContact NH1-OH 3.35Å; R734-Y760 VanDerWaalsContact NH1-OH 3.13Å; R734-Y760 PolarHBondContact NH2-OH 3.5Å; V758-Y760 WeakPolarHBondContact CG2-O 3.46Å; Y760-H788 HydrophobicContact CD2-CB 3.22Å; Y760-H788 AromaticContact CD2-CG 3.56Å; Y760-H788 HydrophobicContact CE2-CB 3.6Å; Y760-H788 AromaticContact CE2-CG 3.94Å; Y760-H788 HydrophobicContact CG-CB 3.85Å; Y760-K790 WeakPolarHBondContact OH-CG 3.38Å
761	L	98.7	Very high	98	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	112.1	173.5	-177.5	59.2	0	0	0	110.8	L733 L752 L763 I779 L786 H788 L789 K790	L733-L761 HydrophobicContact CB-CD1 4.4Å; L733-L761 HydrophobicContact CD2-CD1 4.45Å; L733-L761 HydrophobicContact CG-CD1 4.47Å; L733-L761 WeakPolarHBondContact O-CA 3.45Å; L752-L761 HydrophobicContact CD1-CD1 4.12Å; L752-L761 HydrophobicContact CD1-CD2 4.19Å; L761-L763 HydrophobicContact CD1-CD1 4.04Å; L761-L763 HydrophobicContact CD1-CD2 4.4Å; L761-L763 HydrophobicContact CD1-CG 3.97Å; L761-L763 HydrophobicContact CD2-CD1 3.86Å; L761-L763 HydrophobicContact CG-CD1 3.87Å; L761-L763 HydrophobicContact CG-CG 4.03Å; L761-I779 HydrophobicContact CD2-CD1 4Å; L761-I779 HydrophobicContact CD2-CG2 4.32Å; L761-L786 HydrophobicContact CB-CD1 4.01Å; L761-H788 PolarHBondContact N-O 2.9Å; L761-L789 HydrophobicContact CB-CD1 4.22Å; L761-L789 HydrophobicContact CD2-CD1 4.14Å; L761-L789 HydrophobicContact CG-CD1 4.28Å; L761-L789 WeakPolarHBondContact O-CA 3.46Å; L761-K790 PolarHBondContact O-N 2.88Å
762	G	98.6	Very high	98	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.1	175.2	0	0	0	0	0	111.9	L733 L735	L733-G762 PolarHBondContact O-N 3.49Å; L735-G762 PolarHBondContact N-O 3.37Å
763	L	98.7	Very high	98	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.			trans	-139.3	23.1	-176.9	-68.9	174.3	0	0	0	112.1	L735 I740 L748 L761 N766 I768 V776 K790 L791 N794	L735-L763 HydrophobicContact CB-CD2 3.98Å; L735-L763 HydrophobicContact CD1-CD2 4.47Å; I740-L763 HydrophobicContact CD1-CD2 4.37Å; L748-L763 HydrophobicContact CD1-CD1 3.96Å; L748-L763 HydrophobicContact CD1-CD2 3.58Å; L748-L763 HydrophobicContact CD1-CG 4.38Å; L761-L763 HydrophobicContact CD1-CD1 4.04Å; L761-L763 HydrophobicContact CD1-CD2 4.4Å; L761-L763 HydrophobicContact CD1-CG 3.97Å; L761-L763 HydrophobicContact CD2-CD1 3.86Å; L761-L763 HydrophobicContact CG-CD1 3.87Å; L761-L763 HydrophobicContact CG-CG 4.03Å; L763-N766 PolarHBondContact O-ND2 3.03Å; L763-I768 HydrophobicContact CB-CD1 3.88Å; L763-I768 HydrophobicContact CD1-CD1 4.22Å; L763-V776 HydrophobicContact CD1-CG2 4.43Å; L763-K790 CarbonylContact C-O 3.36Å; L763-K790 WeakPolarHBondContact CA-O 3.06Å; L763-K790 PolarHBondContact N-O 3.21Å; L763-L791 HydrophobicContact CB-CD2 3.94Å; L763-L791 HydrophobicContact CD1-CD2 4.21Å; L763-N794 PolarHBondContact O-ND2 3.39Å
764	Y	97.8	Very high	98.1	Very high	47 Å²	47	42.3 Å²	42.3	18%	0.184	20%	0.198	C	C	.	.			trans	-71.4	155.7	-177.6	74.7	-96.5	0	0	0	111.8	S736 V737 N766 K790 G792 W820	S736-Y764 CarbonylContact C-O 3.19Å; S736-Y764 WeakPolarHBondContact CA-O 3.06Å; S736-Y764 WeakPolarHBondContact CB-O 3.38Å; S736-Y764 WeakPolarHBondContact OG-CD1 3.42Å; S736-Y764 WeakPolarHBondContact OG-CE1 3.47Å; V737-Y764 HydrophobicContact CG2-CD2 4.41Å; V737-Y764 HydrophobicContact CG2-CE2 3.73Å; V737-Y764 PolarHBondContact N-O 3.05Å; Y764-N766 PolarHBondContact O-ND2 3.35Å; Y764-K790 HydrophobicContact CD1-CB 4.4Å; Y764-K790 PolarHBondContact N-O 3.01Å; Y764-G792 CarbonylContact C-O 3.55Å; Y764-G792 WeakPolarHBondContact CA-O 3.27Å; Y764-G792 VanDerWaalsContact CB-O 3.22Å; Y764-G792 WeakPolarHBondContact CB-O 3.38Å; Y764-W820 AromaticContact CD1-CH2 3.96Å; Y764-W820 HydrophobicContact CD1-CH2 3.96Å; Y764-W820 HydrophobicContact CD1-CZ2 4.09Å; Y764-W820 AromaticContact CD2-CZ2 3.86Å; Y764-W820 HydrophobicContact CD2-CZ2 3.86Å; Y764-W820 AromaticContact CG-CH2 3.8Å; Y764-W820 HydrophobicContact CG-CH2 3.8Å; Y764-W820 AromaticContact CG-CZ2 3.55Å; Y764-W820 HydrophobicContact CG-CZ2 3.55Å
765	N	97.7	Very high	98.1	Very high	71 Å²	71	39.7 Å²	39.7	38%	0.38	19%	0.185	S	C	.	.	S	Bend	trans	55.1	55.8	179.9	-160.3	15.4	0	0	0	112.7	V737 G792 K793	V737-N765 WeakPolarHBondContact CA-O 3.36Å; V737-N765 HydrophobicContact CG2-CB 3.8Å; V737-N765 PolarHBondContact N-O 3.45Å; N765-G792 PolarHBondContact N-O 3.17Å; N765-K793 WeakPolarHBondContact CA-O 3.38Å; N765-K793 HydrophobicContact CB-CB 3.95Å; N765-K793 HydrophobicContact CB-CD 4.49Å; N765-K793 PolarHBondContact N-O 3.27Å
766	N	97.8	Very high	98.2	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	17%	0.17	C	C	.	.	S	Bend	trans	-127.7	-169.3	176.3	-81.5	-54.6	0	0	0	108.8	L735 N738 Q739 I740 L763 Y764 I768 K793 N794	L735-N766 PolarHBondContact O-ND2 3.32Å; N738-N766 PolarHBondContact N-OD1 3.41Å; Q739-N766 PolarHBondContact N-OD1 2.91Å; I740-N766 HydrophobicContact CB-CB 4.28Å; I740-N766 PolarHBondContact N-OD1 3.35Å; I740-N766 WeakPolarHBondContact O-CB 3.4Å; L763-N766 PolarHBondContact O-ND2 3.03Å; Y764-N766 PolarHBondContact O-ND2 3.35Å; N766-I768 HydrophobicContact CB-CD1 4.22Å; N766-I768 HydrophobicContact CB-CG1 4.06Å; N766-K793 PolarHBondContact N-O 3.02Å; N766-N794 VanDerWaalsContact CA-OD1 3.29Å; N766-N794 WeakPolarHBondContact CA-OD1 3.49Å; N766-N794 VanDerWaalsContact CB-OD1 3.25Å; N766-N794 WeakPolarHBondContact CB-OD1 3.29Å; N766-N794 PolarHBondContact N-OD1 2.83Å; N766-N794 PolarHBondContact O-OD1 2.89Å
767	Q	97.5	Very high	98.2	Very high	81 Å²	81	31.7 Å²	31.7	38%	0.379	15%	0.154	S	C	.	.	B	Isolated β-bridge	trans	-108.4	37.2	-177.3	-55.7	-69.1	46.3	0	0	111.7	I740 T741	I740-Q767 CarbonylContact O-C 3.51Å; I740-Q767 WeakPolarHBondContact O-CA 3.45Å; I740-Q767 PolarHBondContact O-N 2.95Å; T741-Q767 HydrophobicContact CG2-CB 4.21Å
768	I	98.6	Very high	98.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.165	C	C	.	.			trans	-80.4	128.6	-176.2	-55.5	175	0	0	0	109.7	V745 L763 N766 L791 N794 K795 I796	V745-I768 HydrophobicContact CG2-CD1 3.6Å; V745-I768 HydrophobicContact CG2-CG1 3.69Å; V745-I768 HydrophobicContact CG2-CG2 4.27Å; L763-I768 HydrophobicContact CB-CD1 3.88Å; L763-I768 HydrophobicContact CD1-CD1 4.22Å; N766-I768 HydrophobicContact CB-CD1 4.22Å; N766-I768 HydrophobicContact CB-CG1 4.06Å; I768-L791 HydrophobicContact CD1-CD2 4.2Å; I768-N794 HydrophobicContact CB-CB 4.09Å; I768-N794 VanDerWaalsContact CB-OD1 3.29Å; I768-N794 WeakPolarHBondContact CB-OD1 3.42Å; I768-N794 VanDerWaalsContact CG1-OD1 3.31Å; I768-N794 WeakPolarHBondContact CG1-OD1 3.49Å; I768-N794 PolarHBondContact N-OD1 2.99Å; I768-N794 VanDerWaalsContact N-OD1 3.14Å; I768-K795 CarbonylContact O-C 3.51Å; I768-K795 WeakPolarHBondContact O-CA 3.26Å; I768-K795 PolarHBondContact O-N 3.26Å; I768-I796 HydrophobicContact CG2-CD1 4.47Å
769	T	98.5	Very high	98.3	Very high	44 Å²	44	34.5 Å²	34.5	27%	0.27	17%	0.165	S	C	.	.			trans	-105.3	-170.6	175.3	80.6	0	0	0	0	111.1	D742 V771 G772 A773 K795	D742-T769 PolarHBondContact OD1-N 3.26Å; D742-T769 PolarHBondContact OD1-OG1 2.87Å; D742-T769 PolarHBondContact OD2-OG1 2.85Å; T769-V771 PolarHBondContact O-N 2.9Å; T769-V771 PolarHBondContact OG1-N 2.79Å; T769-G772 PolarHBondContact O-N 2.99Å; T769-G772 VanDerWaalsContact O-N 3.16Å; T769-A773 PolarHBondContact O-N 2.85Å; T769-K795 HydrophobicContact CG2-CB 4.32Å
770	D	98.6	Very high	98.3	Very high	25 Å²	25	32.3 Å²	32.3	13%	0.134	15%	0.152	C	C	.	.	H	α-helix	trans	-60.3	-28.6	175	-58.8	-37.9	0	0	0	113.1	A773 R774 T797 G800	D770-A773 WeakPolarHBondContact O-CB 3.36Å; D770-A773 PolarHBondContact O-N 3.27Å; D770-R774 PolarHBondContact O-N 2.74Å; D770-R774 VanDerWaalsContact O-N 3.15Å; D770-T797 VanDerWaalsContact CG-OG1 3.3Å; D770-T797 PolarHBondContact OD1-N 2.94Å; D770-T797 PolarHBondContact OD1-OG1 3.44Å; D770-T797 WeakPolarHBondContact OD2-CB 3.28Å; D770-T797 WeakPolarHBondContact OD2-CG2 3.34Å; D770-T797 PolarHBondContact OD2-OG1 2.76Å; D770-G800 VanDerWaalsContact CG-N 3.33Å; D770-G800 WeakPolarHBondContact OD1-CA 3.37Å; D770-G800 PolarHBondContact OD1-N 3.12Å
771	V	98.6	Very high	98.2	Very high	76 Å²	76	33.5 Å²	33.5	46%	0.461	16%	0.16	S	C	.	.	H	α-helix	trans	-65.8	-47	174.4	178.8	0	0	0	0	110.3	D742 T769 A773 R774 Y775	D742-V771 HydrophobicContact CB-CB 4.29Å; D742-V771 HydrophobicContact CB-CG1 4.24Å; T769-V771 PolarHBondContact O-N 2.9Å; T769-V771 PolarHBondContact OG1-N 2.79Å; V771-A773 VanDerWaalsContact C-N 3.32Å; V771-A773 PolarHBondContact O-N 2.98Å; V771-R774 WeakPolarHBondContact O-CB 3.27Å; V771-R774 PolarHBondContact O-N 3.15Å; V771-Y775 HydrophobicContact CG1-CE2 3.97Å; V771-Y775 WeakPolarHBondContact O-CD2 3.49Å; V771-Y775 PolarHBondContact O-N 2.91Å
772	G	98.4	Very high	98.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-37	174.3	0	0	0	0	0	112.4	D742 V745 T769 R774 Y775 V776	D742-G772 VanDerWaalsContact CG-N 3.27Å; D742-G772 WeakPolarHBondContact OD1-CA 3.34Å; D742-G772 PolarHBondContact OD1-N 3.38Å; V745-G772 WeakPolarHBondContact CG1-O 3.04Å; T769-G772 PolarHBondContact O-N 2.99Å; T769-G772 VanDerWaalsContact O-N 3.16Å; G772-R774 VanDerWaalsContact C-N 3.29Å; G772-R774 PolarHBondContact O-N 2.72Å; G772-Y775 WeakPolarHBondContact O-CA 3.26Å; G772-Y775 WeakPolarHBondContact O-CB 3.2Å; G772-Y775 PolarHBondContact O-N 2.9Å; G772-V776 WeakPolarHBondContact O-CG2 3.37Å; G772-V776 PolarHBondContact O-N 3.27Å
773	A	98.6	Very high	98.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57	-40.4	174.1	0	0	0	0	0	112.1	T769 D770 V771 Y775 V776 T777 I796 L804	T769-A773 PolarHBondContact O-N 2.85Å; D770-A773 WeakPolarHBondContact O-CB 3.36Å; D770-A773 PolarHBondContact O-N 3.27Å; V771-A773 VanDerWaalsContact C-N 3.32Å; V771-A773 PolarHBondContact O-N 2.98Å; A773-Y775 VanDerWaalsContact C-N 3.32Å; A773-Y775 PolarHBondContact O-N 3.04Å; A773-V776 PolarHBondContact O-N 3.49Å; A773-V776 VanDerWaalsContact O-N 3.15Å; A773-T777 PolarHBondContact O-N 3Å; A773-T777 PolarHBondContact O-OG1 2.93Å; A773-I796 HydrophobicContact CB-CD1 4.39Å; A773-I796 HydrophobicContact CB-CG1 4.44Å; A773-I796 HydrophobicContact CB-CG2 4.32Å; A773-L804 HydrophobicContact CB-CD1 3.95Å; A773-L804 HydrophobicContact CB-CG 4.19Å
774	R	98.5	Very high	97.9	Very high	121 Å²	121	42.7 Å²	42.7	46%	0.457	20%	0.201	S	C	.	.	H	α-helix	trans	-61	-38.7	173.7	-67.1	179.5	-175.4	-174	6.4	112.6	D770 V771 G772 V776 T777 K778 E799 Y803	D770-R774 PolarHBondContact O-N 2.74Å; D770-R774 VanDerWaalsContact O-N 3.15Å; V771-R774 WeakPolarHBondContact O-CB 3.27Å; V771-R774 PolarHBondContact O-N 3.15Å; G772-R774 VanDerWaalsContact C-N 3.29Å; G772-R774 PolarHBondContact O-N 2.72Å; R774-V776 VanDerWaalsContact C-N 3.35Å; R774-T777 WeakPolarHBondContact O-CB 3.48Å; R774-T777 PolarHBondContact O-N 3.39Å; R774-K778 PolarHBondContact O-N 3.5Å; R774-K778 VanDerWaalsContact O-N 3.11Å; R774-E799 IonicContact CZ-OE1 3.81Å; R774-E799 IonicContact NH2-OE1 3.37Å; R774-E799 PolarHBondContact NH2-OE1 3.01Å; R774-Y803 HydrophobicContact CG-CD1 4.41Å; R774-Y803 HydrophobicContact CG-CD2 3.57Å; R774-Y803 HydrophobicContact CG-CE2 3.78Å; R774-Y803 HydrophobicContact CG-CG 3.94Å; R774-Y803 VanDerWaalsContact CZ-OH 3.27Å; R774-Y803 VanDerWaalsContact NE-CZ 3.28Å; R774-Y803 PolarHBondContact NE-OH 3.47Å; R774-Y803 PolarHBondContact NH2-OH 2.64Å
775	Y	98.7	Very high	97.8	Very high	74 Å²	74	42 Å²	42	29%	0.29	21%	0.208	S	C	.	.	H	α-helix	trans	-67.6	-35.1	174.9	-69.1	-52.6	0	0	0	112.4	K746 S749 V771 G772 A773 K778 I779	K746-Y775 HydrophobicContact CB-CD1 4.42Å; K746-Y775 HydrophobicContact CB-CD2 3.86Å; K746-Y775 HydrophobicContact CB-CE1 4.25Å; K746-Y775 HydrophobicContact CB-CE2 3.66Å; K746-Y775 HydrophobicContact CB-CG 4.26Å; K746-Y775 HydrophobicContact CD-CE1 4.47Å; K746-Y775 HydrophobicContact CD-CE2 4.41Å; K746-Y775 HydrophobicContact CG-CD1 4.36Å; K746-Y775 HydrophobicContact CG-CE1 3.88Å; K746-Y775 HydrophobicContact CG-CE2 4.05Å; S749-Y775 PolarHBondContact OG-O 3.18Å; V771-Y775 HydrophobicContact CG1-CE2 3.97Å; V771-Y775 WeakPolarHBondContact O-CD2 3.49Å; V771-Y775 PolarHBondContact O-N 2.91Å; G772-Y775 WeakPolarHBondContact O-CA 3.26Å; G772-Y775 WeakPolarHBondContact O-CB 3.2Å; G772-Y775 PolarHBondContact O-N 2.9Å; A773-Y775 VanDerWaalsContact C-N 3.32Å; A773-Y775 PolarHBondContact O-N 3.04Å; Y775-K778 PolarHBondContact O-N 2.99Å; Y775-I779 WeakPolarHBondContact O-CG1 3.3Å; Y775-I779 PolarHBondContact O-N 3.16Å
776	V	98.6	Very high	97.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-69.1	-40	172.7	-177.1	0	0	0	0	111.9	V745 L763 G772 A773 R774 K778 I779 L780 L789 L791 L804	V745-V776 HydrophobicContact CG1-CG2 3.56Å; L763-V776 HydrophobicContact CD1-CG2 4.43Å; G772-V776 WeakPolarHBondContact O-CG2 3.37Å; G772-V776 PolarHBondContact O-N 3.27Å; A773-V776 PolarHBondContact O-N 3.49Å; A773-V776 VanDerWaalsContact O-N 3.15Å; R774-V776 VanDerWaalsContact C-N 3.35Å; V776-K778 VanDerWaalsContact C-N 3.27Å; V776-K778 PolarHBondContact O-N 3.48Å; V776-I779 WeakPolarHBondContact O-CA 3.36Å; V776-I779 WeakPolarHBondContact O-CB 3.43Å; V776-I779 PolarHBondContact O-N 2.87Å; V776-L780 PolarHBondContact O-N 3.22Å; V776-L789 HydrophobicContact CG1-CD1 3.79Å; V776-L789 HydrophobicContact CG1-CD2 3.78Å; V776-L789 HydrophobicContact CG1-CG 4.41Å; V776-L791 HydrophobicContact CG1-CD1 4.02Å; V776-L791 HydrophobicContact CG2-CD2 4.07Å; V776-L804 HydrophobicContact CB-CD2 4.07Å; V776-L804 HydrophobicContact CG1-CD2 3.98Å
777	T	98.3	Very high	97.9	Very high	19 Å²	19	40.4 Å²	40.4	12%	0.117	20%	0.201	C	C	.	.	H	α-helix	trans	-53	-47.3	171.7	-74.1	0	0	0	0	110.8	A773 R774 I779 L780 D781 Y803 A807	A773-T777 PolarHBondContact O-N 3Å; A773-T777 PolarHBondContact O-OG1 2.93Å; R774-T777 WeakPolarHBondContact O-CB 3.48Å; R774-T777 PolarHBondContact O-N 3.39Å; T777-I779 VanDerWaalsContact C-N 3.31Å; T777-I779 PolarHBondContact O-N 3.46Å; T777-L780 PolarHBondContact O-N 3.18Å; T777-L780 VanDerWaalsContact O-N 3.12Å; T777-D781 PolarHBondContact O-N 2.98Å; T777-Y803 VanDerWaalsContact OG1-C 3.25Å; T777-Y803 PolarHBondContact OG1-O 3.37Å; T777-A807 HydrophobicContact CG2-CB 3.62Å
778	K	98.3	Very high	97.9	Very high	87 Å²	87	38.8 Å²	38.8	38%	0.378	19%	0.194	S	C	.	.	H	α-helix	trans	-58.5	-40.6	175	-177.5	-177.6	172.1	-169.4	0	112.7	T753 R774 Y775 V776 D781 E782	T753-K778 HydrophobicContact CG2-CG 4.33Å; R774-K778 PolarHBondContact O-N 3.5Å; R774-K778 VanDerWaalsContact O-N 3.11Å; Y775-K778 PolarHBondContact O-N 2.99Å; V776-K778 VanDerWaalsContact C-N 3.27Å; V776-K778 PolarHBondContact O-N 3.48Å; K778-D781 PolarHBondContact O-N 3.41Å; K778-E782 WeakPolarHBondContact CE-OE1 3.35Å; K778-E782 WeakPolarHBondContact O-CB 3.43Å; K778-E782 PolarHBondContact O-N 2.87Å
779	I	98.3	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.4	-48.1	174.9	-65.4	164	0	0	0	110.4	L748 L752 T753 L761 Y775 V776 T777 D781 E782 C783 L786	L748-I779 HydrophobicContact CB-CD1 4.32Å; L752-I779 HydrophobicContact CB-CG2 4.46Å; L752-I779 HydrophobicContact CD1-CD1 4.06Å; L752-I779 HydrophobicContact CD1-CG2 4.47Å; T753-I779 HydrophobicContact CG2-CG1 4.29Å; L761-I779 HydrophobicContact CD2-CD1 4Å; L761-I779 HydrophobicContact CD2-CG2 4.32Å; Y775-I779 WeakPolarHBondContact O-CG1 3.3Å; Y775-I779 PolarHBondContact O-N 3.16Å; V776-I779 WeakPolarHBondContact O-CA 3.36Å; V776-I779 WeakPolarHBondContact O-CB 3.43Å; V776-I779 PolarHBondContact O-N 2.87Å; T777-I779 VanDerWaalsContact C-N 3.31Å; T777-I779 PolarHBondContact O-N 3.46Å; I779-D781 VanDerWaalsContact C-N 3.34Å; I779-D781 PolarHBondContact O-N 3.03Å; I779-E782 PolarHBondContact O-N 3.32Å; I779-C783 HydrophobicContact CG2-CB 4.34Å; I779-C783 WeakPolarHBondContact O-CA 3.37Å; I779-C783 WeakPolarHBondContact O-CB 3.25Å; I779-C783 PolarHBondContact O-N 2.96Å; I779-C783 PolarHBondContact O-SG 3.22Å; I779-C783 VanDerWaalsContact O-SG 3.4Å; I779-L786 HydrophobicContact CG2-CD2 4.21Å
780	L	97.5	Very high	97.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.6	-36.6	-178.3	-172.5	61.5	0	0	0	112.2	V776 T777 L786 A807 V808 I814	V776-L780 PolarHBondContact O-N 3.22Å; T777-L780 PolarHBondContact O-N 3.18Å; T777-L780 VanDerWaalsContact O-N 3.12Å; L780-L786 HydrophobicContact CD1-CD2 3.84Å; L780-L786 HydrophobicContact CD1-CG 4.46Å; L780-A807 HydrophobicContact CB-CB 4.27Å; L780-A807 HydrophobicContact CD2-CB 3.75Å; L780-A807 HydrophobicContact CG-CB 4.3Å; L780-V808 HydrophobicContact CD2-CB 4.48Å; L780-V808 HydrophobicContact CD2-CG2 3.76Å; L780-I814 HydrophobicContact CD1-CB 4.16Å; L780-I814 HydrophobicContact CD1-CD1 3.88Å; L780-I814 HydrophobicContact CD1-CG1 4.24Å
781	D	96.6	Very high	97.9	Very high	55 Å²	55	36.9 Å²	36.9	29%	0.294	18%	0.181	S	C	.	.	H	α-helix	trans	-68.7	-37.2	176.6	-77.3	-30.7	0	0	0	112.4	T777 K778 I779 K784	T777-D781 PolarHBondContact O-N 2.98Å; K778-D781 PolarHBondContact O-N 3.41Å; I779-D781 VanDerWaalsContact C-N 3.34Å; I779-D781 PolarHBondContact O-N 3.03Å; D781-K784 WeakPolarHBondContact O-CE 3.38Å; D781-K784 PolarHBondContact O-NZ 3.44Å
782	E	97.2	Very high	97.9	Very high	60 Å²	60	33.3 Å²	33.3	28%	0.28	16%	0.159	S	C	.	.	H	α-helix	trans	-93.5	-33.3	-176.1	-69.8	-158.8	-126.8	0	0	114.4	T753 K756 K778 I779 K784	T753-E782 HydrophobicContact CG2-CB 3.68Å; T753-E782 HydrophobicContact CG2-CG 4.11Å; K756-E782 VanDerWaalsContact CE-OE2 3.29Å; K756-E782 WeakPolarHBondContact CE-OE2 3.4Å; K756-E782 IonicContact NZ-OE2 3.91Å; K756-E782 PolarHBondContact NZ-OE2 3.09Å; K778-E782 WeakPolarHBondContact CE-OE1 3.35Å; K778-E782 WeakPolarHBondContact O-CB 3.43Å; K778-E782 PolarHBondContact O-N 2.87Å; I779-E782 PolarHBondContact O-N 3.32Å; E782-K784 PolarHBondContact O-N 3.41Å
783	C	97.1	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.183	C	C	.	.			trans	-90.6	79.4	-176.6	-59.7	0	0	0	0	110.6	L752 V758 I779 G785 L786	L752-C783 PolarHBondContact O-SG 2.71Å; V758-C783 HydrophobicContact CG1-CB 3.95Å; I779-C783 HydrophobicContact CG2-CB 4.34Å; I779-C783 WeakPolarHBondContact O-CA 3.37Å; I779-C783 WeakPolarHBondContact O-CB 3.25Å; I779-C783 PolarHBondContact O-N 2.96Å; I779-C783 PolarHBondContact O-SG 3.22Å; I779-C783 VanDerWaalsContact O-SG 3.4Å; C783-G785 PolarHBondContact O-N 3.13Å; C783-L786 HydrophobicContact CB-CB 4.29Å; C783-L786 VanDerWaalsContact O-CB 3.32Å; C783-L786 WeakPolarHBondContact O-CB 3.47Å; C783-L786 PolarHBondContact O-N 3.01Å
784	K	95.2	Very high	97.9	Very high	132 Å²	132	39.4 Å²	39.4	57%	0.574	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-3.3	-178.5	-55.3	-52.9	-169.1	-171.6	0	115.4	D781 E782 S813	D781-K784 WeakPolarHBondContact O-CE 3.38Å; D781-K784 PolarHBondContact O-NZ 3.44Å; E782-K784 PolarHBondContact O-N 3.41Å; K784-S813 WeakPolarHBondContact O-CB 3.44Å; K784-S813 PolarHBondContact O-OG 3.29Å; K784-S813 VanDerWaalsContact O-OG 3.11Å
785	G	95.8	Very high	97.8	Very high	33 Å²	33	38.9 Å²	38.9	34%	0.34	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-4.5	171.9	0	0	0	0	0	114.1	V758 T759 C783 T787	V758-G785 CarbonylContact O-C 3.31Å; T759-G785 WeakPolarHBondContact CA-O 3.3Å; C783-G785 PolarHBondContact O-N 3.13Å; G785-T787 PolarHBondContact O-N 2.92Å
786	L	98.2	Very high	97.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.			trans	-72	118.1	-177.3	-171.3	68.2	0	0	0	110	V758 L761 I779 L780 C783 S813 I814	V758-L786 HydrophobicContact CG1-CD1 4.26Å; V758-L786 HydrophobicContact CG2-CD1 4.13Å; V758-L786 WeakPolarHBondContact O-CA 3.39Å; V758-L786 PolarHBondContact O-N 3Å; L761-L786 HydrophobicContact CB-CD1 4.01Å; I779-L786 HydrophobicContact CG2-CD2 4.21Å; L780-L786 HydrophobicContact CD1-CD2 3.84Å; L780-L786 HydrophobicContact CD1-CG 4.46Å; C783-L786 HydrophobicContact CB-CB 4.29Å; C783-L786 VanDerWaalsContact O-CB 3.32Å; C783-L786 WeakPolarHBondContact O-CB 3.47Å; C783-L786 PolarHBondContact O-N 3.01Å; L786-S813 CarbonylContact O-C 3.51Å; L786-S813 PolarHBondContact O-OG 2.89Å; L786-I814 HydrophobicContact CG-CD1 4.41Å; L786-I814 PolarHBondContact O-N 3.44Å
787	T	98	Very high	97.8	Very high	42 Å²	42	37.4 Å²	37.4	26%	0.258	19%	0.186	S	C	.	.			trans	-108.7	-30.4	-178.8	55.1	0	0	0	0	112.2	T759 G785 I814 S815 E816	T759-T787 PolarHBondContact O-N 3.38Å; T759-T787 PolarHBondContact O-OG1 2.81Å; G785-T787 PolarHBondContact O-N 2.92Å; T787-I814 WeakPolarHBondContact O-CD1 3.31Å; T787-S815 PolarHBondContact O-N 3.16Å; T787-S815 PolarHBondContact O-OG 3.48Å; T787-E816 PolarHBondContact O-N 3.32Å
788	H	98.5	Very high	97.8	Very high	46 Å²	46	38.6 Å²	38.6	21%	0.213	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.4	-177.5	-61	74.4	0	0	0	111.9	T759 Y760 L761 E816	T759-H788 PolarHBondContact O-N 2.62Å; T759-H788 VanDerWaalsContact O-N 3.08Å; Y760-H788 HydrophobicContact CD2-CB 3.22Å; Y760-H788 AromaticContact CD2-CG 3.56Å; Y760-H788 HydrophobicContact CE2-CB 3.6Å; Y760-H788 AromaticContact CE2-CG 3.94Å; Y760-H788 HydrophobicContact CG-CB 3.85Å; L761-H788 PolarHBondContact N-O 2.9Å; H788-E816 IonicContact CD2-OE2 3.77Å; H788-E816 PolarHBondContact CD2-OE2 3.46Å; H788-E816 VanDerWaalsContact CD2-OE2 3.3Å
789	L	98.7	Very high	97.8	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.6	175.3	179	60.7	0	0	0	110.7	L761 V776 L791 I814 E816 V817 G818	L761-L789 HydrophobicContact CB-CD1 4.22Å; L761-L789 HydrophobicContact CD2-CD1 4.14Å; L761-L789 HydrophobicContact CG-CD1 4.28Å; L761-L789 WeakPolarHBondContact O-CA 3.46Å; V776-L789 HydrophobicContact CG1-CD1 3.79Å; V776-L789 HydrophobicContact CG1-CD2 3.78Å; V776-L789 HydrophobicContact CG1-CG 4.41Å; L789-L791 HydrophobicContact CD1-CD1 4.21Å; L789-L791 HydrophobicContact CD1-CD2 4.39Å; L789-L791 HydrophobicContact CD1-CG 3.99Å; L789-L791 HydrophobicContact CD2-CD1 3.91Å; L789-L791 HydrophobicContact CG-CD1 4.03Å; L789-L791 HydrophobicContact CG-CG 4.08Å; L789-I814 HydrophobicContact CB-CD1 4.01Å; L789-E816 PolarHBondContact N-O 3.21Å; L789-V817 CarbonylContact O-C 3.54Å; L789-V817 WeakPolarHBondContact O-CA 3.44Å; L789-G818 PolarHBondContact O-N 3.05Å
790	K	98.6	Very high	97.8	Very high	28 Å²	28	38.6 Å²	38.6	12%	0.122	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	113.3	178.4	-53.4	-68.9	-179.1	160.3	0	110.5	Y760 L761 L763 Y764 E816 W820	Y760-K790 WeakPolarHBondContact OH-CG 3.38Å; L761-K790 PolarHBondContact O-N 2.88Å; L763-K790 CarbonylContact C-O 3.36Å; L763-K790 WeakPolarHBondContact CA-O 3.06Å; L763-K790 PolarHBondContact N-O 3.21Å; Y764-K790 HydrophobicContact CD1-CB 4.4Å; Y764-K790 PolarHBondContact N-O 3.01Å; K790-E816 VanDerWaalsContact CE-OE2 3.25Å; K790-E816 WeakPolarHBondContact CE-OE2 3.48Å; K790-E816 IonicContact NZ-OE1 2.55Å; K790-E816 PolarHBondContact NZ-OE1 2.99Å; K790-E816 IonicContact NZ-OE2 3.42Å; K790-E816 PolarHBondContact NZ-OE2 2.97Å; K790-W820 HydrophobicContact CB-CH2 4.17Å; K790-W820 HydrophobicContact CB-CZ3 4.3Å; K790-W820 HydrophobicContact CD-CH2 4.29Å; K790-W820 HydrophobicContact CD-CZ3 3.94Å
791	L	98.5	Very high	97.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.			trans	-127.1	15.4	-176.9	-69	170.8	0	0	0	112.8	L763 I768 V776 L789 N794 I796 L804 G818 M819 N822	L763-L791 HydrophobicContact CB-CD2 3.94Å; L763-L791 HydrophobicContact CD1-CD2 4.21Å; I768-L791 HydrophobicContact CD1-CD2 4.2Å; V776-L791 HydrophobicContact CG1-CD1 4.02Å; V776-L791 HydrophobicContact CG2-CD2 4.07Å; L789-L791 HydrophobicContact CD1-CD1 4.21Å; L789-L791 HydrophobicContact CD1-CD2 4.39Å; L789-L791 HydrophobicContact CD1-CG 3.99Å; L789-L791 HydrophobicContact CD2-CD1 3.91Å; L789-L791 HydrophobicContact CG-CD1 4.03Å; L789-L791 HydrophobicContact CG-CG 4.08Å; L791-N794 PolarHBondContact O-ND2 3.06Å; L791-I796 HydrophobicContact CB-CD1 4.23Å; L791-I796 HydrophobicContact CD1-CD1 4.34Å; L791-L804 HydrophobicContact CD1-CD1 3.66Å; L791-L804 HydrophobicContact CD1-CD2 3.93Å; L791-L804 HydrophobicContact CD1-CG 4.46Å; L791-G818 CarbonylContact C-O 3.58Å; L791-G818 WeakPolarHBondContact CA-O 3.36Å; L791-G818 PolarHBondContact N-O 3.34Å; L791-M819 HydrophobicContact CB-SD 3.77Å; L791-M819 HydrophobicContact CD1-SD 3.8Å; L791-M819 HydrophobicContact CG-SD 4.43Å; L791-N822 PolarHBondContact O-ND2 3.26Å
792	G	98.1	Very high	98	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.			trans	-62.4	162.3	-178.6	0	0	0	0	0	113.9	Y764 N765 N794 G818 W820	Y764-G792 CarbonylContact C-O 3.55Å; Y764-G792 WeakPolarHBondContact CA-O 3.27Å; Y764-G792 VanDerWaalsContact CB-O 3.22Å; Y764-G792 WeakPolarHBondContact CB-O 3.38Å; N765-G792 PolarHBondContact N-O 3.17Å; G792-N794 VanDerWaalsContact C-N 3.33Å; G792-N794 PolarHBondContact O-N 3.11Å; G792-N794 PolarHBondContact O-ND2 2.89Å; G792-N794 VanDerWaalsContact O-ND2 3.16Å; G792-G818 PolarHBondContact N-O 3.18Å; G792-W820 CarbonylContact C-O 3.33Å; G792-W820 WeakPolarHBondContact CA-O 3.31Å
793	K	98.1	Very high	98	Very high	117 Å²	117	40.7 Å²	40.7	51%	0.509	20%	0.2	S	C	.	.	S	Bend	trans	52.2	46.1	179.8	-65.3	-173.9	174.3	-173.3	0	112.8	N765 N766 W820 G821	N765-K793 WeakPolarHBondContact CA-O 3.38Å; N765-K793 HydrophobicContact CB-CB 3.95Å; N765-K793 HydrophobicContact CB-CD 4.49Å; N765-K793 PolarHBondContact N-O 3.27Å; N766-K793 PolarHBondContact N-O 3.02Å; K793-W820 PolarHBondContact N-O 3.27Å; K793-G821 VanDerWaalsContact CA-O 3.28Å; K793-G821 WeakPolarHBondContact CA-O 3.43Å
794	N	98.6	Very high	98.1	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.064	20%	0.201	C	C	.	.	S	Bend	trans	-115.2	-169.3	172.6	-80.7	-73.3	0	0	0	109.2	L763 N766 I768 L791 G792 I796 N822	L763-N794 PolarHBondContact O-ND2 3.39Å; N766-N794 VanDerWaalsContact CA-OD1 3.29Å; N766-N794 WeakPolarHBondContact CA-OD1 3.49Å; N766-N794 VanDerWaalsContact CB-OD1 3.25Å; N766-N794 WeakPolarHBondContact CB-OD1 3.29Å; N766-N794 PolarHBondContact N-OD1 2.83Å; N766-N794 PolarHBondContact O-OD1 2.89Å; I768-N794 HydrophobicContact CB-CB 4.09Å; I768-N794 VanDerWaalsContact CB-OD1 3.29Å; I768-N794 WeakPolarHBondContact CB-OD1 3.42Å; I768-N794 VanDerWaalsContact CG1-OD1 3.31Å; I768-N794 WeakPolarHBondContact CG1-OD1 3.49Å; I768-N794 PolarHBondContact N-OD1 2.99Å; I768-N794 VanDerWaalsContact N-OD1 3.14Å; L791-N794 PolarHBondContact O-ND2 3.06Å; G792-N794 VanDerWaalsContact C-N 3.33Å; G792-N794 PolarHBondContact O-N 3.11Å; G792-N794 PolarHBondContact O-ND2 2.89Å; G792-N794 VanDerWaalsContact O-ND2 3.16Å; N794-I796 HydrophobicContact CB-CD1 4.27Å; N794-I796 HydrophobicContact CB-CG1 4.15Å; N794-N822 VanDerWaalsContact CA-OD1 3.26Å; N794-N822 WeakPolarHBondContact CA-OD1 3.47Å; N794-N822 VanDerWaalsContact CB-OD1 3.22Å; N794-N822 WeakPolarHBondContact CB-OD1 3.48Å; N794-N822 PolarHBondContact N-OD1 3.16Å; N794-N822 PolarHBondContact O-OD1 3.33Å; N794-N822 VanDerWaalsContact O-OD1 3.08Å
795	K	98.2	Very high	98.2	Very high	110 Å²	110	34.6 Å²	34.6	48%	0.478	17%	0.174	S	C	.	.			trans	-108.3	35.9	-179.9	-59.7	179	-178.7	173.4	0	111.2	I768 T769	I768-K795 CarbonylContact O-C 3.51Å; I768-K795 WeakPolarHBondContact O-CA 3.26Å; I768-K795 PolarHBondContact O-N 3.26Å; T769-K795 HydrophobicContact CG2-CB 4.32Å
796	I	98.7	Very high	98.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.182	C	C	.	.			trans	-82	126.4	-178.8	-59.2	172.5	0	0	0	108.7	I768 A773 L791 N794 L804 M819 N822 Q823	I768-I796 HydrophobicContact CG2-CD1 4.47Å; A773-I796 HydrophobicContact CB-CD1 4.39Å; A773-I796 HydrophobicContact CB-CG1 4.44Å; A773-I796 HydrophobicContact CB-CG2 4.32Å; L791-I796 HydrophobicContact CB-CD1 4.23Å; L791-I796 HydrophobicContact CD1-CD1 4.34Å; N794-I796 HydrophobicContact CB-CD1 4.27Å; N794-I796 HydrophobicContact CB-CG1 4.15Å; I796-L804 HydrophobicContact CD1-CD1 4.03Å; I796-L804 HydrophobicContact CG2-CD1 4.38Å; I796-M819 HydrophobicContact CB-CE 4.45Å; I796-M819 HydrophobicContact CD1-CE 4Å; I796-M819 HydrophobicContact CG2-CE 4.02Å; I796-N822 HydrophobicContact CB-CB 4.25Å; I796-N822 WeakPolarHBondContact CB-OD1 3.34Å; I796-N822 PolarHBondContact N-OD1 3.21Å; I796-N822 WeakPolarHBondContact O-CB 3.3Å; I796-Q823 CarbonylContact O-C 3.57Å; I796-Q823 WeakPolarHBondContact O-CA 3.26Å; I796-Q823 PolarHBondContact O-N 3.07Å
797	T	98.5	Very high	98.3	Very high	43 Å²	43	37.7 Å²	37.7	26%	0.264	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-96.9	-170.1	178.6	80.4	0	0	0	0	111.3	D770 E799 G800 G801 Q823	D770-T797 VanDerWaalsContact CG-OG1 3.3Å; D770-T797 PolarHBondContact OD1-N 2.94Å; D770-T797 PolarHBondContact OD1-OG1 3.44Å; D770-T797 WeakPolarHBondContact OD2-CB 3.28Å; D770-T797 WeakPolarHBondContact OD2-CG2 3.34Å; D770-T797 PolarHBondContact OD2-OG1 2.76Å; T797-E799 PolarHBondContact O-N 2.75Å; T797-E799 PolarHBondContact OG1-N 3.49Å; T797-G800 PolarHBondContact O-N 3.39Å; T797-G801 PolarHBondContact O-N 3.01Å; T797-Q823 CarbonylContact C-O 3.25Å; T797-Q823 VanDerWaalsContact C-O 3.31Å; T797-Q823 VanDerWaalsContact CA-O 3.28Å; T797-Q823 WeakPolarHBondContact CA-O 3.38Å
798	S	98.4	Very high	98.3	Very high	44 Å²	44	35.8 Å²	35.8	31%	0.308	17%	0.171	S	C	.	.	H	α-helix	trans	-58.5	-31.4	173.2	66.3	0	0	0	0	113.3	G801 K802 Q823 V824	S798-G801 PolarHBondContact O-N 3.04Å; S798-K802 VanDerWaalsContact O-CG 3.28Å; S798-K802 WeakPolarHBondContact O-CG 3.24Å; S798-K802 PolarHBondContact O-N 2.94Å; S798-Q823 PolarHBondContact N-O 3.15Å; S798-Q823 VanDerWaalsContact N-O 3.16Å; S798-V824 WeakPolarHBondContact CA-O 3.44Å; S798-V824 WeakPolarHBondContact CB-O 3.19Å
799	E	98.3	Very high	98.2	Very high	86 Å²	86	38 Å²	38	40%	0.402	18%	0.18	S	C	.	.	H	α-helix	trans	-67.6	-51.9	178.5	-164	-166.6	145.9	0	0	111.1	R774 T797 G801 K802 Y803	R774-E799 IonicContact CZ-OE1 3.81Å; R774-E799 IonicContact NH2-OE1 3.37Å; R774-E799 PolarHBondContact NH2-OE1 3.01Å; T797-E799 PolarHBondContact O-N 2.75Å; T797-E799 PolarHBondContact OG1-N 3.49Å; E799-G801 VanDerWaalsContact C-N 3.29Å; E799-G801 PolarHBondContact O-N 2.86Å; E799-K802 WeakPolarHBondContact O-CB 3.5Å; E799-K802 PolarHBondContact O-N 2.82Å; E799-Y803 HydrophobicContact CG-CE2 3.8Å; E799-Y803 VanDerWaalsContact O-CD2 3.22Å; E799-Y803 WeakPolarHBondContact O-CD2 3.28Å; E799-Y803 PolarHBondContact O-N 2.82Å; E799-Y803 WeakPolarHBondContact OE1-CE2 3.23Å; E799-Y803 PolarHBondContact OE1-OH 3.32Å
800	G	98.3	Very high	98	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.2	-36.4	174.6	0	0	0	0	0	112.5	D770 T797 K802 Y803 L804	D770-G800 VanDerWaalsContact CG-N 3.33Å; D770-G800 WeakPolarHBondContact OD1-CA 3.37Å; D770-G800 PolarHBondContact OD1-N 3.12Å; T797-G800 PolarHBondContact O-N 3.39Å; G800-K802 VanDerWaalsContact C-N 3.33Å; G800-K802 PolarHBondContact O-N 3.49Å; G800-Y803 PolarHBondContact O-N 3.43Å; G800-L804 WeakPolarHBondContact O-CG 3.36Å; G800-L804 PolarHBondContact O-N 2.89Å
801	G	98.3	Very high	97.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.1	-43.3	171.9	0	0	0	0	0	112.7	T797 S798 E799 L804 A805	T797-G801 PolarHBondContact O-N 3.01Å; S798-G801 PolarHBondContact O-N 3.04Å; E799-G801 VanDerWaalsContact C-N 3.29Å; E799-G801 PolarHBondContact O-N 2.86Å; G801-L804 PolarHBondContact O-N 3.13Å; G801-A805 WeakPolarHBondContact O-CB 3.49Å; G801-A805 PolarHBondContact O-N 3.33Å
802	K	98.6	Very high	97.7	Very high	85 Å²	85	46.5 Å²	46.5	37%	0.37	22%	0.22	S	C	.	.	H	α-helix	trans	-62.5	-43.3	175.6	-75.8	170.5	-179.7	-176.5	0	112.1	S798 E799 G800 L804 A805 L806 E827 A831	S798-K802 VanDerWaalsContact O-CG 3.28Å; S798-K802 WeakPolarHBondContact O-CG 3.24Å; S798-K802 PolarHBondContact O-N 2.94Å; E799-K802 WeakPolarHBondContact O-CB 3.5Å; E799-K802 PolarHBondContact O-N 2.82Å; G800-K802 VanDerWaalsContact C-N 3.33Å; G800-K802 PolarHBondContact O-N 3.49Å; K802-L804 PolarHBondContact O-N 3.15Å; K802-A805 PolarHBondContact O-N 2.98Å; K802-L806 WeakPolarHBondContact O-CB 3.31Å; K802-L806 PolarHBondContact O-N 3.4Å; K802-E827 WeakPolarHBondContact CE-OE2 3.41Å; K802-E827 IonicContact NZ-OE2 2.71Å; K802-E827 PolarHBondContact NZ-OE2 3.17Å; K802-A831 HydrophobicContact CB-CB 4.41Å; K802-A831 HydrophobicContact CG-CB 3.85Å
803	Y	98.3	Very high	97.5	Very high	75 Å²	75	47.9 Å²	47.9	29%	0.294	23%	0.23	S	C	.	.	H	α-helix	trans	-61.9	-42.8	176	-69.7	-56.2	0	0	0	112.6	R774 T777 E799 G800 A807	R774-Y803 HydrophobicContact CG-CD1 4.41Å; R774-Y803 HydrophobicContact CG-CD2 3.57Å; R774-Y803 HydrophobicContact CG-CE2 3.78Å; R774-Y803 HydrophobicContact CG-CG 3.94Å; R774-Y803 VanDerWaalsContact CZ-OH 3.27Å; R774-Y803 VanDerWaalsContact NE-CZ 3.28Å; R774-Y803 PolarHBondContact NE-OH 3.47Å; R774-Y803 PolarHBondContact NH2-OH 2.64Å; T777-Y803 VanDerWaalsContact OG1-C 3.25Å; T777-Y803 PolarHBondContact OG1-O 3.37Å; E799-Y803 HydrophobicContact CG-CE2 3.8Å; E799-Y803 VanDerWaalsContact O-CD2 3.22Å; E799-Y803 WeakPolarHBondContact O-CD2 3.28Å; E799-Y803 PolarHBondContact O-N 2.82Å; E799-Y803 WeakPolarHBondContact OE1-CE2 3.23Å; E799-Y803 PolarHBondContact OE1-OH 3.32Å; G800-Y803 PolarHBondContact O-N 3.43Å; Y803-A807 WeakPolarHBondContact O-CB 3.36Å; Y803-A807 PolarHBondContact O-N 2.95Å; Y803-A807 VanDerWaalsContact O-N 3.12Å
804	L	98.3	Very high	97.5	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-69.9	-42	179.8	-72.4	166.6	0	0	0	111.6	A773 V776 L791 I796 G800 G801 K802 L806 A807 V808 M819 F832	A773-L804 HydrophobicContact CB-CD1 3.95Å; A773-L804 HydrophobicContact CB-CG 4.19Å; V776-L804 HydrophobicContact CB-CD2 4.07Å; V776-L804 HydrophobicContact CG1-CD2 3.98Å; L791-L804 HydrophobicContact CD1-CD1 3.66Å; L791-L804 HydrophobicContact CD1-CD2 3.93Å; L791-L804 HydrophobicContact CD1-CG 4.46Å; I796-L804 HydrophobicContact CD1-CD1 4.03Å; I796-L804 HydrophobicContact CG2-CD1 4.38Å; G800-L804 WeakPolarHBondContact O-CG 3.36Å; G800-L804 PolarHBondContact O-N 2.89Å; G801-L804 PolarHBondContact O-N 3.13Å; K802-L804 PolarHBondContact O-N 3.15Å; L804-L806 VanDerWaalsContact C-N 3.33Å; L804-L806 PolarHBondContact O-N 3.21Å; L804-A807 PolarHBondContact O-N 3.19Å; L804-V808 VanDerWaalsContact O-CG2 3.3Å; L804-V808 WeakPolarHBondContact O-CG2 3.14Å; L804-V808 PolarHBondContact O-N 3.38Å; L804-M819 HydrophobicContact CD1-CE 3.42Å; L804-M819 VanDerWaalsContact CD1-CE 3.42Å; L804-M819 HydrophobicContact CD1-SD 3.74Å; L804-F832 HydrophobicContact CB-CZ 4.26Å
805	A	98.3	Very high	97.5	Very high	1 Å²	1	43 Å²	43	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-43.4	175.6	0	0	0	0	0	112.1	G801 K802 A807 V808 K809 A831 F832 A835	G801-A805 WeakPolarHBondContact O-CB 3.49Å; G801-A805 PolarHBondContact O-N 3.33Å; K802-A805 PolarHBondContact O-N 2.98Å; A805-A807 VanDerWaalsContact C-N 3.35Å; A805-A807 PolarHBondContact O-N 3.39Å; A805-V808 PolarHBondContact O-N 3.48Å; A805-K809 PolarHBondContact O-N 3.45Å; A805-A831 VanDerWaalsContact CB-C 3.47Å; A805-A831 HydrophobicContact CB-CB 3.72Å; A805-F832 HydrophobicContact CB-CB 4.49Å; A805-F832 HydrophobicContact CB-CD1 3.98Å; A805-F832 HydrophobicContact CB-CD2 4.1Å; A805-F832 HydrophobicContact CB-CE1 4.17Å; A805-F832 HydrophobicContact CB-CE2 4.28Å; A805-F832 HydrophobicContact CB-CG 3.94Å; A805-F832 HydrophobicContact CB-CZ 4.31Å; A805-A835 HydrophobicContact CB-CB 4.4Å; A805-A835 WeakPolarHBondContact O-CB 3.22Å
806	L	97.5	Very high	97.5	Very high	97 Å²	97	39.9 Å²	39.9	51%	0.508	20%	0.199	S	C	.	.	H	α-helix	trans	-61.9	-42.6	175.7	-179.3	62.5	0	0	0	112	K802 L804 K809 N810	K802-L806 WeakPolarHBondContact O-CB 3.31Å; K802-L806 PolarHBondContact O-N 3.4Å; L804-L806 VanDerWaalsContact C-N 3.33Å; L804-L806 PolarHBondContact O-N 3.21Å; L806-K809 WeakPolarHBondContact O-CB 3.16Å; L806-K809 PolarHBondContact O-N 3.32Å; L806-N810 PolarHBondContact O-N 3.46Å; L806-N810 PolarHBondContact O-ND2 3.37Å
807	A	97.3	Very high	97.5	Very high	1 Å²	1	40 Å²	40	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-64.8	-40.6	177	0	0	0	0	0	112	T777 L780 Y803 L804 A805 N810 S811	T777-A807 HydrophobicContact CG2-CB 3.62Å; L780-A807 HydrophobicContact CB-CB 4.27Å; L780-A807 HydrophobicContact CD2-CB 3.75Å; L780-A807 HydrophobicContact CG-CB 4.3Å; Y803-A807 WeakPolarHBondContact O-CB 3.36Å; Y803-A807 PolarHBondContact O-N 2.95Å; Y803-A807 VanDerWaalsContact O-N 3.12Å; L804-A807 PolarHBondContact O-N 3.19Å; A805-A807 VanDerWaalsContact C-N 3.35Å; A805-A807 PolarHBondContact O-N 3.39Å; A807-N810 PolarHBondContact O-N 3.16Å; A807-S811 PolarHBondContact O-N 3.35Å
808	V	97.8	Very high	97.5	Very high	3 Å²	3	38 Å²	38	2%	0.018	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-48.6	173.9	168.9	0	0	0	0	110.3	L780 L804 A805 N810 S811 I814 V817 F832 A835 H839 L842	L780-V808 HydrophobicContact CD2-CB 4.48Å; L780-V808 HydrophobicContact CD2-CG2 3.76Å; L804-V808 VanDerWaalsContact O-CG2 3.3Å; L804-V808 WeakPolarHBondContact O-CG2 3.14Å; L804-V808 PolarHBondContact O-N 3.38Å; A805-V808 PolarHBondContact O-N 3.48Å; V808-N810 PolarHBondContact O-N 3.38Å; V808-N810 VanDerWaalsContact O-N 3.13Å; V808-S811 PolarHBondContact O-N 3.08Å; V808-I814 HydrophobicContact CG1-CG2 4.2Å; V808-V817 HydrophobicContact CG2-CG2 3.9Å; V808-F832 HydrophobicContact CG2-CE1 4.41Å; V808-A835 HydrophobicContact CG1-CB 4.48Å; V808-H839 PolarHBondContact O-CD2 3.03Å; V808-H839 VanDerWaalsContact O-CD2 3.28Å; V808-H839 PolarHBondContact O-NE2 3.49Å; V808-L842 HydrophobicContact CG1-CD2 4.22Å
809	K	96.5	Very high	97.5	Very high	93 Å²	93	36 Å²	36	40%	0.404	17%	0.173	S	C	.	.	H	α-helix	trans	-51.8	-39.1	176.3	-172.7	178.6	178.6	176.7	0	112.9	A805 L806 K812 A835	A805-K809 PolarHBondContact O-N 3.45Å; L806-K809 WeakPolarHBondContact O-CB 3.16Å; L806-K809 PolarHBondContact O-N 3.32Å; K809-K812 PolarHBondContact O-NZ 3.21Å; K809-A835 HydrophobicContact CB-CB 3.81Å
810	N	94.8	Very high	97.5	Very high	77 Å²	77	34.8 Å²	34.8	41%	0.412	17%	0.165	S	C	.	.	H	α-helix	trans	-81.7	-28	-178	-67.2	-20.1	0	0	0	113.1	L806 A807 V808	L806-N810 PolarHBondContact O-N 3.46Å; L806-N810 PolarHBondContact O-ND2 3.37Å; A807-N810 PolarHBondContact O-N 3.16Å; V808-N810 PolarHBondContact O-N 3.38Å; V808-N810 VanDerWaalsContact O-N 3.13Å
811	S	95.6	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.			trans	-66.9	144.3	174.7	-172.4	0	0	0	0	111	A807 V808 S813 I814 H839	A807-S811 PolarHBondContact O-N 3.35Å; V808-S811 PolarHBondContact O-N 3.08Å; S811-S813 PolarHBondContact OG-N 3.05Å; S811-S813 PolarHBondContact OG-OG 3.4Å; S811-I814 PolarHBondContact OG-N 2.99Å; S811-H839 PolarHBondContact O-NE2 3.24Å
812	K	94.4	Very high	97.5	Very high	130 Å²	130	36.3 Å²	36.3	57%	0.565	18%	0.179	S	C	*	.	S	Bend	trans	-117.1	-10.2	174.9	-53.1	-62	161.3	-149.8	0	111.9	K809 P840 S841	K809-K812 PolarHBondContact O-NZ 3.21Å; K812-P840 HydrophobicContact CD-CG 3.7Å; K812-S841 WeakPolarHBondContact O-CB 3.35Å; K812-S841 PolarHBondContact O-OG 3.45Å
813	S	95.7	Very high	97.5	Very high	30 Å²	30	39 Å²	39	21%	0.21	19%	0.192	C	C	.	.	S	Bend	trans	-100	-21.9	-179.4	59.2	0	0	0	0	113.6	K784 L786 S811 S815	K784-S813 WeakPolarHBondContact O-CB 3.44Å; K784-S813 PolarHBondContact O-OG 3.29Å; K784-S813 VanDerWaalsContact O-OG 3.11Å; L786-S813 CarbonylContact O-C 3.51Å; L786-S813 PolarHBondContact O-OG 2.89Å; S811-S813 PolarHBondContact OG-N 3.05Å; S811-S813 PolarHBondContact OG-OG 3.4Å; S813-S815 PolarHBondContact O-N 2.88Å
814	I	97.8	Very high	97.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.			trans	-68	121.1	-172.8	-164.1	74.1	0	0	0	110.8	L780 L786 T787 L789 V808 S811 V817 H839 S841 L842	L780-I814 HydrophobicContact CD1-CB 4.16Å; L780-I814 HydrophobicContact CD1-CD1 3.88Å; L780-I814 HydrophobicContact CD1-CG1 4.24Å; L786-I814 HydrophobicContact CG-CD1 4.41Å; L786-I814 PolarHBondContact O-N 3.44Å; T787-I814 WeakPolarHBondContact O-CD1 3.31Å; L789-I814 HydrophobicContact CB-CD1 4.01Å; V808-I814 HydrophobicContact CG1-CG2 4.2Å; S811-I814 PolarHBondContact OG-N 2.99Å; I814-V817 HydrophobicContact CD1-CG2 4.18Å; I814-V817 HydrophobicContact CG1-CG2 3.52Å; I814-H839 WeakPolarHBondContact CG2-NE2 3.42Å; I814-S841 CarbonylContact O-C 3.42Å; I814-S841 PolarHBondContact O-OG 3.49Å; I814-L842 HydrophobicContact CG1-CD1 4.3Å; I814-L842 HydrophobicContact CG2-CD1 4.27Å; I814-L842 WeakPolarHBondContact O-CA 3.49Å
815	S	97.9	Very high	97.4	Very high	27 Å²	27	36 Å²	36	19%	0.189	19%	0.186	C	C	.	.			trans	-105.4	-32.6	-179.8	59.9	0	0	0	0	112.2	T787 S813 S841 L842 T843 T844	T787-S815 PolarHBondContact O-N 3.16Å; T787-S815 PolarHBondContact O-OG 3.48Å; S813-S815 PolarHBondContact O-N 2.88Å; S815-S841 WeakPolarHBondContact CA-O 3.36Å; S815-L842 WeakPolarHBondContact O-CD1 3.3Å; S815-T843 PolarHBondContact O-N 2.94Å; S815-T843 PolarHBondContact O-OG1 3.15Å; S815-T844 PolarHBondContact O-N 3.36Å
816	E	98.5	Very high	97.5	Very high	44 Å²	44	38.2 Å²	38.2	21%	0.206	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	128.3	-178.8	-175.8	170.4	-158	0	0	112.9	T787 H788 L789 K790 T844	T787-E816 PolarHBondContact O-N 3.32Å; H788-E816 IonicContact CD2-OE2 3.77Å; H788-E816 PolarHBondContact CD2-OE2 3.46Å; H788-E816 VanDerWaalsContact CD2-OE2 3.3Å; L789-E816 PolarHBondContact N-O 3.21Å; K790-E816 VanDerWaalsContact CE-OE2 3.25Å; K790-E816 WeakPolarHBondContact CE-OE2 3.48Å; K790-E816 IonicContact NZ-OE1 2.55Å; K790-E816 PolarHBondContact NZ-OE1 2.99Å; K790-E816 IonicContact NZ-OE2 3.42Å; K790-E816 PolarHBondContact NZ-OE2 2.97Å; E816-T844 WeakPolarHBondContact CA-O 3.41Å; E816-T844 HydrophobicContact CG-CG2 3.91Å; E816-T844 WeakPolarHBondContact OE1-CG2 3.26Å
817	V	98.6	Very high	97.5	Very high	3 Å²	3	38 Å²	38	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.3	175.4	176.5	0	0	0	0	109.9	L789 V808 I814 M819 L842 T844 L845 S846	L789-V817 CarbonylContact O-C 3.54Å; L789-V817 WeakPolarHBondContact O-CA 3.44Å; V808-V817 HydrophobicContact CG2-CG2 3.9Å; I814-V817 HydrophobicContact CD1-CG2 4.18Å; I814-V817 HydrophobicContact CG1-CG2 3.52Å; V817-M819 HydrophobicContact CG1-CG 3.94Å; V817-L842 HydrophobicContact CB-CD1 4.26Å; V817-L842 HydrophobicContact CG2-CD1 3.75Å; V817-T844 PolarHBondContact N-O 3.24Å; V817-L845 HydrophobicContact CB-CD1 3.93Å; V817-L845 HydrophobicContact CG1-CD1 3.98Å; V817-L845 WeakPolarHBondContact O-CA 3.49Å; V817-S846 PolarHBondContact O-N 3.16Å
818	G	98.3	Very high	97.5	Very high	1 Å²	1	38 Å²	38	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	116.3	174.9	0	0	0	0	0	112.3	L789 L791 G792	L789-G818 PolarHBondContact O-N 3.05Å; L791-G818 CarbonylContact C-O 3.58Å; L791-G818 WeakPolarHBondContact CA-O 3.36Å; L791-G818 PolarHBondContact N-O 3.34Å; G792-G818 PolarHBondContact N-O 3.18Å
819	M	98.3	Very high	97.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.193	C	C	.	.			trans	-119.7	15.9	-179.3	-67.9	-65.5	-66	0	0	112.4	L791 I796 L804 V817 N822 V824 F832 S846 L847 N850	L791-M819 HydrophobicContact CB-SD 3.77Å; L791-M819 HydrophobicContact CD1-SD 3.8Å; L791-M819 HydrophobicContact CG-SD 4.43Å; I796-M819 HydrophobicContact CB-CE 4.45Å; I796-M819 HydrophobicContact CD1-CE 4Å; I796-M819 HydrophobicContact CG2-CE 4.02Å; L804-M819 HydrophobicContact CD1-CE 3.42Å; L804-M819 VanDerWaalsContact CD1-CE 3.42Å; L804-M819 HydrophobicContact CD1-SD 3.74Å; V817-M819 HydrophobicContact CG1-CG 3.94Å; M819-N822 PolarHBondContact O-ND2 3.3Å; M819-V824 HydrophobicContact CE-CG2 4.02Å; M819-F832 HydrophobicContact CG-CE2 4.45Å; M819-F832 HydrophobicContact CG-CZ 3.94Å; M819-S846 CarbonylContact C-O 3.56Å; M819-S846 WeakPolarHBondContact CA-O 3.39Å; M819-S846 WeakPolarHBondContact CB-O 3.48Å; M819-S846 PolarHBondContact N-O 3.05Å; M819-L847 HydrophobicContact CB-CD2 4.03Å; M819-L847 HydrophobicContact CG-CD2 4.5Å; M819-N850 PolarHBondContact O-ND2 3.46Å
820	W	98.4	Very high	97.7	Very high	61 Å²	61	38 Å²	38	23%	0.231	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	146.7	-170.8	69.3	94.8	0	0	0	113	Y764 K790 G792 K793 N822 A848	Y764-W820 AromaticContact CD1-CH2 3.96Å; Y764-W820 HydrophobicContact CD1-CH2 3.96Å; Y764-W820 HydrophobicContact CD1-CZ2 4.09Å; Y764-W820 AromaticContact CD2-CZ2 3.86Å; Y764-W820 HydrophobicContact CD2-CZ2 3.86Å; Y764-W820 AromaticContact CG-CH2 3.8Å; Y764-W820 HydrophobicContact CG-CH2 3.8Å; Y764-W820 AromaticContact CG-CZ2 3.55Å; Y764-W820 HydrophobicContact CG-CZ2 3.55Å; K790-W820 HydrophobicContact CB-CH2 4.17Å; K790-W820 HydrophobicContact CB-CZ3 4.3Å; K790-W820 HydrophobicContact CD-CH2 4.29Å; K790-W820 HydrophobicContact CD-CZ3 3.94Å; G792-W820 CarbonylContact C-O 3.33Å; G792-W820 WeakPolarHBondContact CA-O 3.31Å; K793-W820 PolarHBondContact N-O 3.27Å; W820-N822 PolarHBondContact O-N 3.14Å; W820-A848 CarbonylContact C-O 3.39Å; W820-A848 WeakPolarHBondContact CA-O 3.45Å; W820-A848 HydrophobicContact CB-CB 3.98Å
821	G	98	Very high	97.8	Very high	24 Å²	24	35.2 Å²	35.2	25%	0.247	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	33.5	174.5	0	0	0	0	0	114.3	K793 A848 S849	K793-G821 VanDerWaalsContact CA-O 3.28Å; K793-G821 WeakPolarHBondContact CA-O 3.43Å; G821-A848 PolarHBondContact N-O 3.41Å; G821-S849 CarbonylContact C-O 3.35Å; G821-S849 WeakPolarHBondContact CA-O 3.3Å; G821-S849 PolarHBondContact N-O 3.17Å; G821-S849 VanDerWaalsContact N-O 3.14Å
822	N	98.6	Very high	98	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.043	18%	0.181	C	C	.	.	S	Bend	trans	-111.2	-165.7	169.8	-76.7	-72.4	0	0	0	108.9	L791 N794 I796 M819 W820 V824 S849 N850	L791-N822 PolarHBondContact O-ND2 3.26Å; N794-N822 VanDerWaalsContact CA-OD1 3.26Å; N794-N822 WeakPolarHBondContact CA-OD1 3.47Å; N794-N822 VanDerWaalsContact CB-OD1 3.22Å; N794-N822 WeakPolarHBondContact CB-OD1 3.48Å; N794-N822 PolarHBondContact N-OD1 3.16Å; N794-N822 PolarHBondContact O-OD1 3.33Å; N794-N822 VanDerWaalsContact O-OD1 3.08Å; I796-N822 HydrophobicContact CB-CB 4.25Å; I796-N822 WeakPolarHBondContact CB-OD1 3.34Å; I796-N822 PolarHBondContact N-OD1 3.21Å; I796-N822 WeakPolarHBondContact O-CB 3.3Å; M819-N822 PolarHBondContact O-ND2 3.3Å; W820-N822 PolarHBondContact O-N 3.14Å; N822-V824 HydrophobicContact CB-CG2 4.21Å; N822-S849 PolarHBondContact N-O 2.72Å; N822-S849 VanDerWaalsContact O-O 3.1Å; N822-N850 WeakPolarHBondContact CA-OD1 3.38Å; N822-N850 VanDerWaalsContact CB-OD1 3.25Å; N822-N850 WeakPolarHBondContact CB-OD1 3.25Å; N822-N850 WeakPolarHBondContact O-CA 3.46Å; N822-N850 PolarHBondContact O-OD1 2.95Å
823	Q	97.8	Very high	98.2	Very high	140 Å²	140	29.3 Å²	29.3	65%	0.654	16%	0.156	S	C	*	.	B	Isolated β-bridge	trans	-122.7	45.1	178.7	-62.8	177.3	10.5	0	0	111	I796 T797 S798 G825	I796-Q823 CarbonylContact O-C 3.57Å; I796-Q823 WeakPolarHBondContact O-CA 3.26Å; I796-Q823 PolarHBondContact O-N 3.07Å; T797-Q823 CarbonylContact C-O 3.25Å; T797-Q823 VanDerWaalsContact C-O 3.31Å; T797-Q823 VanDerWaalsContact CA-O 3.28Å; T797-Q823 WeakPolarHBondContact CA-O 3.38Å; S798-Q823 PolarHBondContact N-O 3.15Å; S798-Q823 VanDerWaalsContact N-O 3.16Å; Q823-G825 VanDerWaalsContact C-N 3.3Å; Q823-G825 PolarHBondContact O-N 2.95Å
824	V	98	Very high	98.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.			trans	-64.1	-34.3	-174.7	172.6	0	0	0	0	112.1	S798 M819 N822 G828 F832 N850	S798-V824 WeakPolarHBondContact CA-O 3.44Å; S798-V824 WeakPolarHBondContact CB-O 3.19Å; M819-V824 HydrophobicContact CE-CG2 4.02Å; N822-V824 HydrophobicContact CB-CG2 4.21Å; V824-G828 VanDerWaalsContact CG1-CA 3.46Å; V824-G828 WeakPolarHBondContact O-CA 3.41Å; V824-G828 PolarHBondContact O-N 3.42Å; V824-F832 HydrophobicContact CG1-CD2 4.25Å; V824-F832 HydrophobicContact CG1-CE2 4.22Å; V824-N850 HydrophobicContact CB-CB 4.22Å; V824-N850 VanDerWaalsContact CB-OD1 3.28Å; V824-N850 WeakPolarHBondContact CB-OD1 3.3Å; V824-N850 WeakPolarHBondContact CG2-OD1 3.15Å; V824-N850 PolarHBondContact N-OD1 3.17Å
825	G	98.1	Very high	98.2	Very high	16 Å²	16	32.7 Å²	32.7	17%	0.165	17%	0.169	C	C	.	.	H	α-helix	trans	58.3	-172.3	178.6	0	0	0	0	0	114.7	Q823 E827 G828 A829 N850	Q823-G825 VanDerWaalsContact C-N 3.3Å; Q823-G825 PolarHBondContact O-N 2.95Å; G825-E827 PolarHBondContact O-N 3.23Å; G825-G828 PolarHBondContact O-N 3.02Å; G825-A829 WeakPolarHBondContact O-CB 3.44Å; G825-A829 PolarHBondContact O-N 3.26Å; G825-N850 PolarHBondContact N-O 2.92Å
826	D	98.6	Very high	98.2	Very high	46 Å²	46	31.4 Å²	31.4	25%	0.246	16%	0.16	C	C	.	.	H	α-helix	trans	-63.8	-40.3	-177.5	-69.7	-27	0	0	0	113.4	G828 A829 K830 S853 G856	D826-G828 VanDerWaalsContact C-N 3.35Å; D826-G828 PolarHBondContact O-N 2.98Å; D826-A829 PolarHBondContact O-N 3.42Å; D826-K830 WeakPolarHBondContact O-CB 3.21Å; D826-K830 PolarHBondContact O-N 3.25Å; D826-S853 VanDerWaalsContact CG-OG 3.26Å; D826-S853 WeakPolarHBondContact OD1-CA 3.01Å; D826-S853 PolarHBondContact OD1-N 2.86Å; D826-S853 PolarHBondContact OD1-OG 2.87Å; D826-S853 WeakPolarHBondContact OD2-CB 3.43Å; D826-S853 PolarHBondContact OD2-OG 2.9Å; D826-G856 VanDerWaalsContact OD1-CA 3.27Å; D826-G856 WeakPolarHBondContact OD1-CA 3.44Å; D826-G856 PolarHBondContact OD1-N 2.99Å
827	E	98.3	Very high	98.1	Very high	94 Å²	94	34.5 Å²	34.5	44%	0.439	17%	0.17	S	C	.	.	H	α-helix	trans	-64.3	-40.1	-179.4	-80.1	-63.3	128.8	0	0	112.2	K802 G825 A831	K802-E827 WeakPolarHBondContact CE-OE2 3.41Å; K802-E827 IonicContact NZ-OE2 2.71Å; K802-E827 PolarHBondContact NZ-OE2 3.17Å; G825-E827 PolarHBondContact O-N 3.23Å; E827-A831 PolarHBondContact O-N 3.32Å
828	G	98.1	Very high	97.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-73.7	-37.4	173.3	0	0	0	0	0	112.1	V824 G825 D826 K830 A831 F832	V824-G828 VanDerWaalsContact CG1-CA 3.46Å; V824-G828 WeakPolarHBondContact O-CA 3.41Å; V824-G828 PolarHBondContact O-N 3.42Å; G825-G828 PolarHBondContact O-N 3.02Å; D826-G828 VanDerWaalsContact C-N 3.35Å; D826-G828 PolarHBondContact O-N 2.98Å; G828-K830 VanDerWaalsContact C-N 3.33Å; G828-K830 PolarHBondContact O-N 3.24Å; G828-A831 WeakPolarHBondContact O-CB 3.27Å; G828-A831 PolarHBondContact O-N 3.06Å; G828-A831 VanDerWaalsContact O-N 3.14Å; G828-F832 VanDerWaalsContact O-CD2 3.31Å; G828-F832 WeakPolarHBondContact O-CD2 3.48Å; G828-F832 PolarHBondContact O-N 2.97Å
829	A	98.6	Very high	97.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-40.9	174.2	0	0	0	0	0	112.1	G825 D826 A831 F832 A833 I852 L860	G825-A829 WeakPolarHBondContact O-CB 3.44Å; G825-A829 PolarHBondContact O-N 3.26Å; D826-A829 PolarHBondContact O-N 3.42Å; A829-A831 VanDerWaalsContact C-N 3.35Å; A829-A831 PolarHBondContact O-N 2.98Å; A829-F832 PolarHBondContact O-N 2.93Å; A829-A833 WeakPolarHBondContact O-CB 3.4Å; A829-A833 PolarHBondContact O-N 3.38Å; A829-I852 HydrophobicContact CB-CD1 3.88Å; A829-I852 HydrophobicContact CB-CG1 4.09Å; A829-I852 HydrophobicContact CB-CG2 3.97Å; A829-L860 HydrophobicContact CB-CD1 4.23Å; A829-L860 HydrophobicContact CB-CG 4.44Å
830	K	98.6	Very high	97.4	Very high	97 Å²	97	44.3 Å²	44.3	42%	0.422	23%	0.226	S	C	.	.	H	α-helix	trans	-61	-41.9	172.7	-178.5	-179.3	175.7	-176.9	0	111.8	D826 G828 A833 E834	D826-K830 WeakPolarHBondContact O-CB 3.21Å; D826-K830 PolarHBondContact O-N 3.25Å; G828-K830 VanDerWaalsContact C-N 3.33Å; G828-K830 PolarHBondContact O-N 3.24Å; K830-A833 VanDerWaalsContact O-CB 3.32Å; K830-A833 WeakPolarHBondContact O-CB 3.42Å; K830-A833 PolarHBondContact O-N 2.87Å; K830-E834 PolarHBondContact O-N 3.17Å
831	A	98.5	Very high	97.3	Very high	18 Å²	18	43 Å²	43	15%	0.149	23%	0.226	C	C	.	.	H	α-helix	trans	-64	-41.9	175	0	0	0	0	0	111.9	K802 A805 E827 G828 A829 A833 E834 A835	K802-A831 HydrophobicContact CB-CB 4.41Å; K802-A831 HydrophobicContact CG-CB 3.85Å; A805-A831 VanDerWaalsContact CB-C 3.47Å; A805-A831 HydrophobicContact CB-CB 3.72Å; E827-A831 PolarHBondContact O-N 3.32Å; G828-A831 WeakPolarHBondContact O-CB 3.27Å; G828-A831 PolarHBondContact O-N 3.06Å; G828-A831 VanDerWaalsContact O-N 3.14Å; A829-A831 VanDerWaalsContact C-N 3.35Å; A829-A831 PolarHBondContact O-N 2.98Å; A831-A833 VanDerWaalsContact C-N 3.32Å; A831-A833 PolarHBondContact O-N 3.43Å; A831-E834 PolarHBondContact O-N 3.45Å; A831-A835 PolarHBondContact O-N 3.46Å
832	F	98.5	Very high	97.3	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-38	172.4	-84.4	-73.5	0	0	0	112	L804 A805 V808 M819 V824 G828 A829 E834 A835 L836 L845 L847 L860	L804-F832 HydrophobicContact CB-CZ 4.26Å; A805-F832 HydrophobicContact CB-CB 4.49Å; A805-F832 HydrophobicContact CB-CD1 3.98Å; A805-F832 HydrophobicContact CB-CD2 4.1Å; A805-F832 HydrophobicContact CB-CE1 4.17Å; A805-F832 HydrophobicContact CB-CE2 4.28Å; A805-F832 HydrophobicContact CB-CG 3.94Å; A805-F832 HydrophobicContact CB-CZ 4.31Å; V808-F832 HydrophobicContact CG2-CE1 4.41Å; M819-F832 HydrophobicContact CG-CE2 4.45Å; M819-F832 HydrophobicContact CG-CZ 3.94Å; V824-F832 HydrophobicContact CG1-CD2 4.25Å; V824-F832 HydrophobicContact CG1-CE2 4.22Å; G828-F832 VanDerWaalsContact O-CD2 3.31Å; G828-F832 WeakPolarHBondContact O-CD2 3.48Å; G828-F832 PolarHBondContact O-N 2.97Å; A829-F832 PolarHBondContact O-N 2.93Å; F832-E834 VanDerWaalsContact C-N 3.34Å; F832-E834 PolarHBondContact O-N 3.19Å; F832-A835 WeakPolarHBondContact O-CB 3.41Å; F832-A835 PolarHBondContact O-N 3.08Å; F832-A835 VanDerWaalsContact O-N 3.14Å; F832-L836 WeakPolarHBondContact O-CB 3.42Å; F832-L836 VanDerWaalsContact O-CG 3.22Å; F832-L836 WeakPolarHBondContact O-CG 3.43Å; F832-L836 PolarHBondContact O-N 2.76Å; F832-L845 HydrophobicContact CD1-CD1 4.23Å; F832-L845 HydrophobicContact CD1-CD2 4.3Å; F832-L845 HydrophobicContact CE1-CD1 4.25Å; F832-L847 HydrophobicContact CB-CD1 4.29Å; F832-L847 HydrophobicContact CD2-CD2 3.83Å; F832-L847 HydrophobicContact CE2-CD2 3.95Å; F832-L847 HydrophobicContact CG-CD1 4.47Å; F832-L847 HydrophobicContact CG-CD2 4.3Å; F832-L860 HydrophobicContact CB-CD2 4.42Å
833	A	98.4	Very high	97.3	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.033	23%	0.227	C	C	.	.	H	α-helix	trans	-59.1	-45	173.8	0	0	0	0	0	111.6	A829 K830 A831 A835 L836 R837 S859 L860 A863	A829-A833 WeakPolarHBondContact O-CB 3.4Å; A829-A833 PolarHBondContact O-N 3.38Å; K830-A833 VanDerWaalsContact O-CB 3.32Å; K830-A833 WeakPolarHBondContact O-CB 3.42Å; K830-A833 PolarHBondContact O-N 2.87Å; A831-A833 VanDerWaalsContact C-N 3.32Å; A831-A833 PolarHBondContact O-N 3.43Å; A833-A835 VanDerWaalsContact C-N 3.3Å; A833-A835 PolarHBondContact O-N 2.81Å; A833-L836 PolarHBondContact O-N 3.46Å; A833-R837 PolarHBondContact O-N 3.29Å; A833-R837 VanDerWaalsContact O-N 3.13Å; A833-S859 WeakPolarHBondContact CB-O 3.34Å; A833-L860 HydrophobicContact CB-CD2 4.05Å; A833-L860 HydrophobicContact CB-CG 4.49Å; A833-A863 HydrophobicContact CB-CB 3.7Å; A833-A863 WeakPolarHBondContact O-CB 3.32Å
834	E	97.9	Very high	97.4	Very high	97 Å²	97	37.9 Å²	37.9	45%	0.453	20%	0.2	S	C	.	.	H	α-helix	trans	-63.3	-35.1	174.5	-70.1	-179.8	-168.7	0	0	113.1	K830 A831 F832	K830-E834 PolarHBondContact O-N 3.17Å; A831-E834 PolarHBondContact O-N 3.45Å; F832-E834 VanDerWaalsContact C-N 3.34Å; F832-E834 PolarHBondContact O-N 3.19Å
835	A	97.1	Very high	97.4	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.033	20%	0.2	C	C	.	.	H	α-helix	trans	-68.5	-39.1	175.5	0	0	0	0	0	112.2	A805 V808 K809 A831 F832 A833 H839	A805-A835 HydrophobicContact CB-CB 4.4Å; A805-A835 WeakPolarHBondContact O-CB 3.22Å; V808-A835 HydrophobicContact CG1-CB 4.48Å; K809-A835 HydrophobicContact CB-CB 3.81Å; A831-A835 PolarHBondContact O-N 3.46Å; F832-A835 WeakPolarHBondContact O-CB 3.41Å; F832-A835 PolarHBondContact O-N 3.08Å; F832-A835 VanDerWaalsContact O-N 3.14Å; A833-A835 VanDerWaalsContact C-N 3.3Å; A833-A835 PolarHBondContact O-N 2.81Å; A835-H839 WeakPolarHBondContact O-CB 3.5Å
836	L	97.6	Very high	97.4	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-71.5	-38.4	-177.2	-75.8	171.3	0	0	0	113.6	F832 A833 N838 H839 L842 L845 L860 L864 N867 L870	F832-L836 WeakPolarHBondContact O-CB 3.42Å; F832-L836 VanDerWaalsContact O-CG 3.22Å; F832-L836 WeakPolarHBondContact O-CG 3.43Å; F832-L836 PolarHBondContact O-N 2.76Å; A833-L836 PolarHBondContact O-N 3.46Å; L836-N838 PolarHBondContact O-N 2.73Å; L836-H839 PolarHBondContact O-N 3.14Å; L836-L842 HydrophobicContact CD2-CD2 3.6Å; L836-L845 HydrophobicContact CD1-CD2 3.76Å; L836-L845 HydrophobicContact CD2-CD2 4.25Å; L836-L845 HydrophobicContact CG-CD2 4.3Å; L836-L860 HydrophobicContact CD1-CD2 4.01Å; L836-L864 HydrophobicContact CD1-CD2 4.38Å; L836-N867 PolarHBondContact O-ND2 3.22Å; L836-L870 HydrophobicContact CD1-CD2 4.43Å; L836-L870 HydrophobicContact CD2-CD1 4.17Å; L836-L870 HydrophobicContact CD2-CD2 4.2Å
837	R	95.4	Very high	97.4	Very high	109 Å²	109	35.7 Å²	35.7	41%	0.411	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-41.5	-44.8	-167.5	-171.6	-178.3	-69.2	176.8	2.4	114.5	A833 A863 Q866 N867	A833-R837 PolarHBondContact O-N 3.29Å; A833-R837 VanDerWaalsContact O-N 3.13Å; R837-A863 HydrophobicContact CB-CB 4.42Å; R837-Q866 HydrophobicContact CG-CB 3.93Å; R837-Q866 HydrophobicContact CG-CG 4.43Å; R837-Q866 CarbonylContact O-C 3.2Å; R837-N867 WeakPolarHBondContact O-CA 3.2Å; R837-N867 PolarHBondContact O-N 2.89Å
838	N	90.9	Very high	97.4	Very high	128 Å²	128	31.6 Å²	31.6	68%	0.684	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.2	27.7	178.3	-62.6	-34.8	0	0	0	112.6	L836	L836-N838 PolarHBondContact O-N 2.73Å
839	H	96.4	Very high	97.4	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.019	18%	0.18	C	C	.	.			trans	-69.2	131	-179.6	-162.1	-79.7	0	0	0	110.2	V808 S811 I814 A835 L836 S841 L842 S869	V808-H839 PolarHBondContact O-CD2 3.03Å; V808-H839 VanDerWaalsContact O-CD2 3.28Å; V808-H839 PolarHBondContact O-NE2 3.49Å; S811-H839 PolarHBondContact O-NE2 3.24Å; I814-H839 WeakPolarHBondContact CG2-NE2 3.42Å; A835-H839 WeakPolarHBondContact O-CB 3.5Å; L836-H839 PolarHBondContact O-N 3.14Å; H839-S841 PolarHBondContact CE1-OG 2.87Å; H839-S841 PolarHBondContact ND1-N 2.88Å; H839-L842 VanDerWaalsContact ND1-CB 3.28Å; H839-L842 WeakPolarHBondContact ND1-CB 3.4Å; H839-L842 PolarHBondContact ND1-N 3.3Å; H839-S869 WeakPolarHBondContact O-CB 3.44Å; H839-S869 PolarHBondContact O-OG 2.7Å
840	P	94.4	Very high	97.4	Very high	79 Å²	79	33.5 Å²	33.5	51%	0.513	18%	0.181	S	C	.	.	S	Bend	trans	-83.2	-20.6	-170.7	31.2	-36.5	0	0	0	114.8	K812	K812-P840 HydrophobicContact CD-CG 3.7Å
841	S	95.8	Very high	97.4	Very high	32 Å²	32	30.8 Å²	30.8	22%	0.224	18%	0.181	C	C	.	.	S	Bend	trans	-140.8	-1.7	-164.3	51.2	0	0	0	0	116.6	K812 I814 S815 H839 T843	K812-S841 WeakPolarHBondContact O-CB 3.35Å; K812-S841 PolarHBondContact O-OG 3.45Å; I814-S841 CarbonylContact O-C 3.42Å; I814-S841 PolarHBondContact O-OG 3.49Å; S815-S841 WeakPolarHBondContact CA-O 3.36Å; H839-S841 PolarHBondContact CE1-OG 2.87Å; H839-S841 PolarHBondContact ND1-N 2.88Å; S841-T843 PolarHBondContact O-N 3.39Å
842	L	98.2	Very high	97.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.173	C	C	.	.			trans	-83.6	111.7	-174.3	-175.3	76.9	0	0	0	107.6	V808 I814 S815 V817 L836 H839 L845 S869 L870	V808-L842 HydrophobicContact CG1-CD2 4.22Å; I814-L842 HydrophobicContact CG1-CD1 4.3Å; I814-L842 HydrophobicContact CG2-CD1 4.27Å; I814-L842 WeakPolarHBondContact O-CA 3.49Å; S815-L842 WeakPolarHBondContact O-CD1 3.3Å; V817-L842 HydrophobicContact CB-CD1 4.26Å; V817-L842 HydrophobicContact CG2-CD1 3.75Å; L836-L842 HydrophobicContact CD2-CD2 3.6Å; H839-L842 VanDerWaalsContact ND1-CB 3.28Å; H839-L842 WeakPolarHBondContact ND1-CB 3.4Å; H839-L842 PolarHBondContact ND1-N 3.3Å; L842-L845 HydrophobicContact CD2-CB 4.22Å; L842-S869 CarbonylContact O-C 3.41Å; L842-S869 VanDerWaalsContact O-C 3.25Å; L842-S869 PolarHBondContact O-OG 3.29Å; L842-L870 HydrophobicContact CD2-CD1 4.17Å; L842-L870 HydrophobicContact CG-CD1 4.11Å; L842-L870 VanDerWaalsContact O-CA 3.23Å; L842-L870 WeakPolarHBondContact O-CA 3.42Å; L842-L870 PolarHBondContact O-N 3.42Å
843	T	98.4	Very high	97.4	Very high	50 Å²	50	31.3 Å²	31.3	31%	0.307	18%	0.183	S	C	.	.			trans	-98.5	-27	-176.9	60.4	0	0	0	0	112.4	S815 S841 S869 E871 I872	S815-T843 PolarHBondContact O-N 2.94Å; S815-T843 PolarHBondContact O-OG1 3.15Å; S841-T843 PolarHBondContact O-N 3.39Å; T843-S869 WeakPolarHBondContact CA-O 3.41Å; T843-E871 PolarHBondContact O-N 3.39Å; T843-I872 PolarHBondContact O-N 3.13Å
844	T	98.7	Very high	97.3	Very high	16 Å²	16	31.6 Å²	31.6	10%	0.098	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	126.2	-179.3	-59.9	0	0	0	0	111.6	S815 E816 V817 I872	S815-T844 PolarHBondContact O-N 3.36Å; E816-T844 WeakPolarHBondContact CA-O 3.41Å; E816-T844 HydrophobicContact CG-CG2 3.91Å; E816-T844 WeakPolarHBondContact OE1-CG2 3.26Å; V817-T844 PolarHBondContact N-O 3.24Å; T844-I872 WeakPolarHBondContact CA-O 3.46Å; T844-I872 HydrophobicContact CG2-CB 4.09Å; T844-I872 HydrophobicContact CG2-CG2 4.22Å
845	L	98.7	Very high	97.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.2	172.5	179	63.8	0	0	0	109.8	V817 F832 L836 L842 L847 L870 I872 L873 W874	V817-L845 HydrophobicContact CB-CD1 3.93Å; V817-L845 HydrophobicContact CG1-CD1 3.98Å; V817-L845 WeakPolarHBondContact O-CA 3.49Å; F832-L845 HydrophobicContact CD1-CD1 4.23Å; F832-L845 HydrophobicContact CD1-CD2 4.3Å; F832-L845 HydrophobicContact CE1-CD1 4.25Å; L836-L845 HydrophobicContact CD1-CD2 3.76Å; L836-L845 HydrophobicContact CD2-CD2 4.25Å; L836-L845 HydrophobicContact CG-CD2 4.3Å; L842-L845 HydrophobicContact CD2-CB 4.22Å; L845-L847 HydrophobicContact CD1-CD2 4.5Å; L845-L847 HydrophobicContact CD1-CG 4.41Å; L845-L847 HydrophobicContact CD2-CD1 4Å; L845-L847 HydrophobicContact CD2-CG 4.16Å; L845-L847 HydrophobicContact CG-CG 4.13Å; L845-L870 HydrophobicContact CB-CD1 3.84Å; L845-L870 HydrophobicContact CB-CD2 4.45Å; L845-I872 PolarHBondContact N-O 3.39Å; L845-L873 HydrophobicContact CB-CD1 4.2Å; L845-L873 HydrophobicContact CD2-CD1 4.24Å; L845-L873 HydrophobicContact CG-CD1 4.31Å; L845-L873 WeakPolarHBondContact O-CA 3.32Å; L845-W874 PolarHBondContact O-N 2.81Å
846	S	98.6	Very high	97.4	Very high	15 Å²	15	31.4 Å²	31.4	11%	0.105	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.3	171.2	170.5	0	0	0	0	112.1	V817 M819	V817-S846 PolarHBondContact O-N 3.16Å; M819-S846 CarbonylContact C-O 3.56Å; M819-S846 WeakPolarHBondContact CA-O 3.39Å; M819-S846 WeakPolarHBondContact CB-O 3.48Å; M819-S846 PolarHBondContact N-O 3.05Å
847	L	98.6	Very high	97.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.183	C	C	.	.			trans	-114.9	23.3	171	-63.7	173.7	0	0	0	111.5	M819 F832 L845 N850 I852 L860 W874 L875 N878	M819-L847 HydrophobicContact CB-CD2 4.03Å; M819-L847 HydrophobicContact CG-CD2 4.5Å; F832-L847 HydrophobicContact CB-CD1 4.29Å; F832-L847 HydrophobicContact CD2-CD2 3.83Å; F832-L847 HydrophobicContact CE2-CD2 3.95Å; F832-L847 HydrophobicContact CG-CD1 4.47Å; F832-L847 HydrophobicContact CG-CD2 4.3Å; L845-L847 HydrophobicContact CD1-CD2 4.5Å; L845-L847 HydrophobicContact CD1-CG 4.41Å; L845-L847 HydrophobicContact CD2-CD1 4Å; L845-L847 HydrophobicContact CD2-CG 4.16Å; L845-L847 HydrophobicContact CG-CG 4.13Å; L847-N850 WeakPolarHBondContact O-CB 3.46Å; L847-N850 PolarHBondContact O-ND2 3.3Å; L847-I852 HydrophobicContact CB-CD1 3.71Å; L847-I852 HydrophobicContact CD1-CD1 4.08Å; L847-I852 HydrophobicContact CG-CD1 4.43Å; L847-L860 HydrophobicContact CD1-CD1 3.9Å; L847-L860 HydrophobicContact CD1-CD2 4.1Å; L847-W874 CarbonylContact C-O 3.37Å; L847-W874 PolarHBondContact N-O 3.49Å; L847-L875 HydrophobicContact CB-CD2 4.08Å; L847-N878 PolarHBondContact O-ND2 3.47Å; L847-N878 VanDerWaalsContact O-ND2 3.12Å
848	A	98.5	Very high	97.5	Very high	8 Å²	8	27.3 Å²	27.3	7%	0.066	17%	0.168	C	C	.	.			trans	-57.3	147.9	177.6	0	0	0	0	0	112.4	W820 G821 N850 W874 T876	W820-A848 CarbonylContact C-O 3.39Å; W820-A848 WeakPolarHBondContact CA-O 3.45Å; W820-A848 HydrophobicContact CB-CB 3.98Å; G821-A848 PolarHBondContact N-O 3.41Å; A848-N850 PolarHBondContact O-N 3.35Å; A848-N850 PolarHBondContact O-ND2 3.23Å; A848-W874 HydrophobicContact CB-CB 4.36Å; A848-W874 PolarHBondContact N-O 3.48Å; A848-T876 CarbonylContact C-O 3.35Å; A848-T876 WeakPolarHBondContact CA-O 3.09Å; A848-T876 VanDerWaalsContact CB-O 3.31Å; A848-T876 WeakPolarHBondContact CB-O 3.46Å
849	S	98.2	Very high	97.9	Very high	37 Å²	37	22.4 Å²	22.4	26%	0.259	14%	0.144	S	C	.	.	S	Bend	trans	52.9	53.8	175.8	-39.9	0	0	0	0	112.7	G821 N822 T876 Q877	G821-S849 CarbonylContact C-O 3.35Å; G821-S849 WeakPolarHBondContact CA-O 3.3Å; G821-S849 PolarHBondContact N-O 3.17Å; G821-S849 VanDerWaalsContact N-O 3.14Å; N822-S849 PolarHBondContact N-O 2.72Å; N822-S849 VanDerWaalsContact O-O 3.1Å; S849-T876 PolarHBondContact N-O 3.12Å; S849-Q877 WeakPolarHBondContact CA-O 3.26Å; S849-Q877 PolarHBondContact N-O 3.25Å; S849-Q877 WeakPolarHBondContact OG-CB 3.49Å; S849-Q877 PolarHBondContact OG-OE1 3.29Å
850	N	98.6	Very high	98	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.016	14%	0.144	C	C	.	.	S	Bend	trans	-124.5	6.3	-176.7	-90.4	-81.5	0	0	0	115.1	M819 N822 V824 G825 L847 A848 I852 N878	M819-N850 PolarHBondContact O-ND2 3.46Å; N822-N850 WeakPolarHBondContact CA-OD1 3.38Å; N822-N850 VanDerWaalsContact CB-OD1 3.25Å; N822-N850 WeakPolarHBondContact CB-OD1 3.25Å; N822-N850 WeakPolarHBondContact O-CA 3.46Å; N822-N850 PolarHBondContact O-OD1 2.95Å; V824-N850 HydrophobicContact CB-CB 4.22Å; V824-N850 VanDerWaalsContact CB-OD1 3.28Å; V824-N850 WeakPolarHBondContact CB-OD1 3.3Å; V824-N850 WeakPolarHBondContact CG2-OD1 3.15Å; V824-N850 PolarHBondContact N-OD1 3.17Å; G825-N850 PolarHBondContact N-O 2.92Å; L847-N850 WeakPolarHBondContact O-CB 3.46Å; L847-N850 PolarHBondContact O-ND2 3.3Å; A848-N850 PolarHBondContact O-N 3.35Å; A848-N850 PolarHBondContact O-ND2 3.23Å; N850-I852 VanDerWaalsContact C-N 3.28Å; N850-I852 HydrophobicContact CB-CD1 4.09Å; N850-I852 HydrophobicContact CB-CG1 3.95Å; N850-I852 PolarHBondContact O-N 3.32Å; N850-N878 PolarHBondContact N-OD1 2.84Å
851	G	97.8	Very high	98.2	Very high	40 Å²	40	18.5 Å²	18.5	41%	0.412	12%	0.119	S	C	.	.			trans	63.7	34.8	-177	0	0	0	0	0	112.4	N878	G851-N878 PolarHBondContact N-OD1 2.89Å
852	I	98.6	Very high	98.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.132	C	C	.	.			trans	-81	121.6	176.1	-58.7	174.5	0	0	0	107.4	A829 L847 N850 L875 N878 E879 L880	A829-I852 HydrophobicContact CB-CD1 3.88Å; A829-I852 HydrophobicContact CB-CG1 4.09Å; A829-I852 HydrophobicContact CB-CG2 3.97Å; L847-I852 HydrophobicContact CB-CD1 3.71Å; L847-I852 HydrophobicContact CD1-CD1 4.08Å; L847-I852 HydrophobicContact CG-CD1 4.43Å; N850-I852 VanDerWaalsContact C-N 3.28Å; N850-I852 HydrophobicContact CB-CD1 4.09Å; N850-I852 HydrophobicContact CB-CG1 3.95Å; N850-I852 PolarHBondContact O-N 3.32Å; I852-L875 HydrophobicContact CD1-CD2 4.2Å; I852-N878 HydrophobicContact CB-CB 4.26Å; I852-N878 PolarHBondContact N-OD1 3.29Å; I852-N878 WeakPolarHBondContact O-CB 3.37Å; I852-E879 PolarHBondContact O-N 3.12Å; I852-L880 HydrophobicContact CG2-CD2 4.29Å
853	S	98.2	Very high	98.3	Very high	30 Å²	30	23.3 Å²	23.3	21%	0.21	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-86.1	-176	173.7	91.3	0	0	0	0	111.1	D826 E855 G856 G857 L880	D826-S853 VanDerWaalsContact CG-OG 3.26Å; D826-S853 WeakPolarHBondContact OD1-CA 3.01Å; D826-S853 PolarHBondContact OD1-N 2.86Å; D826-S853 PolarHBondContact OD1-OG 2.87Å; D826-S853 WeakPolarHBondContact OD2-CB 3.43Å; D826-S853 PolarHBondContact OD2-OG 2.9Å; S853-E855 PolarHBondContact O-N 3.02Å; S853-E855 PolarHBondContact OG-N 3.31Å; S853-G856 PolarHBondContact O-N 2.78Å; S853-G857 PolarHBondContact O-N 2.86Å; S853-L880 WeakPolarHBondContact O-CD2 3.43Å
854	T	97.1	Very high	98.3	Very high	11 Å²	11	21 Å²	21	7%	0.067	12%	0.118	C	C	.	.	H	α-helix	trans	-52.7	-36.5	173.5	-65.6	0	0	0	0	113	G857 K858 N881 E883 V884	T854-G857 PolarHBondContact O-N 3.01Å; T854-K858 HydrophobicContact CG2-CD 4.07Å; T854-K858 VanDerWaalsContact CG2-CE 3.41Å; T854-K858 HydrophobicContact CG2-CG 4.36Å; T854-K858 WeakPolarHBondContact O-CB 3.42Å; T854-K858 VanDerWaalsContact O-CG 3.22Å; T854-K858 WeakPolarHBondContact O-CG 3.47Å; T854-K858 PolarHBondContact O-N 3.49Å; T854-N881 PolarHBondContact OG1-N 3.49Å; T854-N881 PolarHBondContact OG1-ND2 3.22Å; T854-N881 PolarHBondContact OG1-OD1 2.9Å; T854-E883 HydrophobicContact CG2-CB 3.72Å; T854-V884 HydrophobicContact CG2-CB 4.14Å; T854-V884 HydrophobicContact CG2-CG1 4.49Å
855	E	98	Very high	98.2	Very high	97 Å²	97	23.8 Å²	23.8	45%	0.453	13%	0.13	S	C	.	.	H	α-helix	trans	-72.6	-40.8	-177.2	-68.9	-55.2	121.1	0	0	113.3	S853 G857 K858 S859	S853-E855 PolarHBondContact O-N 3.02Å; S853-E855 PolarHBondContact OG-N 3.31Å; E855-G857 VanDerWaalsContact C-N 3.34Å; E855-K858 PolarHBondContact O-N 2.79Å; E855-K858 WeakPolarHBondContact OE1-CD 3.32Å; E855-K858 IonicContact OE1-NZ 2.75Å; E855-K858 PolarHBondContact OE1-NZ 2.93Å; E855-S859 PolarHBondContact O-N 3.4Å; E855-S859 VanDerWaalsContact O-N 3.08Å; E855-S859 PolarHBondContact O-OG 3.01Å
856	G	98.1	Very high	98.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.9	-42	171.4	0	0	0	0	0	111.5	D826 S853 S859 L860	D826-G856 VanDerWaalsContact OD1-CA 3.27Å; D826-G856 WeakPolarHBondContact OD1-CA 3.44Å; D826-G856 PolarHBondContact OD1-N 2.99Å; S853-G856 PolarHBondContact O-N 2.78Å; G856-S859 WeakPolarHBondContact O-CB 3.09Å; G856-S859 PolarHBondContact O-N 3.32Å; G856-L860 PolarHBondContact O-N 2.73Å
857	G	98.3	Very high	98	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.8	-44.4	175.3	0	0	0	0	0	113.5	S853 T854 E855 S859 L860 A861	S853-G857 PolarHBondContact O-N 2.86Å; T854-G857 PolarHBondContact O-N 3.01Å; E855-G857 VanDerWaalsContact C-N 3.34Å; G857-S859 VanDerWaalsContact C-N 3.27Å; G857-S859 PolarHBondContact O-N 2.76Å; G857-L860 PolarHBondContact O-N 2.68Å; G857-A861 PolarHBondContact O-N 2.73Å
858	K	98.6	Very high	97.9	Very high	24 Å²	24	33.6 Å²	33.6	10%	0.104	18%	0.182	C	C	.	.	H	α-helix	trans	-58.4	-40	172.9	-76.1	172.5	-177.7	162.3	0	111.6	T854 E855 A861 R862 E883	T854-K858 HydrophobicContact CG2-CD 4.07Å; T854-K858 VanDerWaalsContact CG2-CE 3.41Å; T854-K858 HydrophobicContact CG2-CG 4.36Å; T854-K858 WeakPolarHBondContact O-CB 3.42Å; T854-K858 VanDerWaalsContact O-CG 3.22Å; T854-K858 WeakPolarHBondContact O-CG 3.47Å; T854-K858 PolarHBondContact O-N 3.49Å; E855-K858 PolarHBondContact O-N 2.79Å; E855-K858 WeakPolarHBondContact OE1-CD 3.32Å; E855-K858 IonicContact OE1-NZ 2.75Å; E855-K858 PolarHBondContact OE1-NZ 2.93Å; K858-A861 PolarHBondContact O-N 3.4Å; K858-R862 WeakPolarHBondContact O-CG 3.46Å; K858-R862 PolarHBondContact O-N 2.63Å; K858-E883 IonicContact NZ-OE2 2.75Å; K858-E883 PolarHBondContact NZ-OE2 2.87Å
859	S	98.5	Very high	97.9	Very high	25 Å²	25	33.8 Å²	33.8	18%	0.175	18%	0.183	C	C	.	.	H	α-helix	trans	-63.3	-44.7	177.5	-61.3	0	0	0	0	111.9	A833 E855 G856 G857 R862 A863	A833-S859 WeakPolarHBondContact CB-O 3.34Å; E855-S859 PolarHBondContact O-N 3.4Å; E855-S859 VanDerWaalsContact O-N 3.08Å; E855-S859 PolarHBondContact O-OG 3.01Å; G856-S859 WeakPolarHBondContact O-CB 3.09Å; G856-S859 PolarHBondContact O-N 3.32Å; G857-S859 VanDerWaalsContact C-N 3.27Å; G857-S859 PolarHBondContact O-N 2.76Å; S859-R862 PolarHBondContact O-N 3.21Å; S859-A863 PolarHBondContact O-N 3.28Å; S859-A863 VanDerWaalsContact O-N 3.16Å
860	L	98.5	Very high	97.9	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-61.6	-46.8	174.7	-69.8	167.4	0	0	0	111.7	A829 F832 A833 L836 L847 G856 G857 R862 A863 L864 L875	A829-L860 HydrophobicContact CB-CD1 4.23Å; A829-L860 HydrophobicContact CB-CG 4.44Å; F832-L860 HydrophobicContact CB-CD2 4.42Å; A833-L860 HydrophobicContact CB-CD2 4.05Å; A833-L860 HydrophobicContact CB-CG 4.49Å; L836-L860 HydrophobicContact CD1-CD2 4.01Å; L847-L860 HydrophobicContact CD1-CD1 3.9Å; L847-L860 HydrophobicContact CD1-CD2 4.1Å; G856-L860 PolarHBondContact O-N 2.73Å; G857-L860 PolarHBondContact O-N 2.68Å; L860-R862 PolarHBondContact O-N 2.91Å; L860-A863 PolarHBondContact O-N 2.88Å; L860-L864 VanDerWaalsContact O-CG 3.31Å; L860-L864 WeakPolarHBondContact O-CG 3.11Å; L860-L864 PolarHBondContact O-N 3.48Å; L860-L875 HydrophobicContact CD1-CD1 4.41Å; L860-L875 HydrophobicContact CD1-CD2 3.74Å
861	A	98.3	Very high	97.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.1	-46.9	178.2	0	0	0	0	0	112	G857 K858 A863 L864 Q865 L888 M891	G857-A861 PolarHBondContact O-N 2.73Å; K858-A861 PolarHBondContact O-N 3.4Å; A861-A863 VanDerWaalsContact C-N 3.33Å; A861-A863 PolarHBondContact O-N 2.78Å; A861-L864 PolarHBondContact O-N 2.96Å; A861-Q865 PolarHBondContact O-N 3.43Å; A861-L888 HydrophobicContact CB-CD2 3.91Å; A861-L888 HydrophobicContact CB-CG 4.33Å; A861-M891 HydrophobicContact CB-CB 4.26Å; A861-M891 WeakPolarHBondContact O-CB 3.47Å; A861-M891 WeakPolarHBondContact O-CG 3.38Å
862	R	98.1	Very high	97.9	Very high	132 Å²	132	35.2 Å²	35.2	50%	0.498	18%	0.176	S	C	.	.	H	α-helix	trans	-61.6	-38.5	177.2	-70.8	176.7	-166.9	136.6	1.3	112.9	K858 S859 L860	K858-R862 WeakPolarHBondContact O-CG 3.46Å; K858-R862 PolarHBondContact O-N 2.63Å; S859-R862 PolarHBondContact O-N 3.21Å; L860-R862 PolarHBondContact O-N 2.91Å
863	A	98	Very high	97.9	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-69.2	-37.5	177.4	0	0	0	0	0	112.4	A833 R837 S859 L860 A861 Q865 Q866 N867	A833-A863 HydrophobicContact CB-CB 3.7Å; A833-A863 WeakPolarHBondContact O-CB 3.32Å; R837-A863 HydrophobicContact CB-CB 4.42Å; S859-A863 PolarHBondContact O-N 3.28Å; S859-A863 VanDerWaalsContact O-N 3.16Å; L860-A863 PolarHBondContact O-N 2.88Å; A861-A863 VanDerWaalsContact C-N 3.33Å; A861-A863 PolarHBondContact O-N 2.78Å; A863-Q865 VanDerWaalsContact C-N 3.26Å; A863-Q865 PolarHBondContact O-N 3.34Å; A863-Q866 PolarHBondContact O-N 3.11Å; A863-Q866 VanDerWaalsContact O-N 3.17Å; A863-N867 PolarHBondContact O-N 3.4Å
864	L	97.9	Very high	97.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.1	-21.8	-179.2	-69.9	167.7	0	0	0	113.1	L836 L860 A861 Q866 N867 L870 L873 M891 N895	L836-L864 HydrophobicContact CD1-CD2 4.38Å; L860-L864 VanDerWaalsContact O-CG 3.31Å; L860-L864 WeakPolarHBondContact O-CG 3.11Å; L860-L864 PolarHBondContact O-N 3.48Å; A861-L864 PolarHBondContact O-N 2.96Å; L864-Q866 PolarHBondContact O-N 3.28Å; L864-Q866 VanDerWaalsContact O-N 3.08Å; L864-N867 HydrophobicContact CD2-CB 4.04Å; L864-N867 PolarHBondContact O-N 2.89Å; L864-L870 HydrophobicContact CD2-CB 4.19Å; L864-L870 HydrophobicContact CD2-CD2 3.62Å; L864-L873 HydrophobicContact CD1-CD2 3.62Å; L864-M891 HydrophobicContact CB-CE 4.47Å; L864-M891 HydrophobicContact CB-CG 3.63Å; L864-M891 HydrophobicContact CB-SD 3.87Å; L864-M891 HydrophobicContact CD1-CE 4.31Å; L864-N895 PolarHBondContact O-ND2 3.38Å
865	Q	96.8	Very high	98	Very high	76 Å²	76	37.3 Å²	37.3	36%	0.355	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-27.4	170	-72.5	175.4	1	0	0	113.4	A861 A863 M891	A861-Q865 PolarHBondContact O-N 3.43Å; A863-Q865 VanDerWaalsContact C-N 3.26Å; A863-Q865 PolarHBondContact O-N 3.34Å; Q865-M891 HydrophobicContact CG-CB 4Å; Q865-M891 HydrophobicContact CG-CG 4.08Å
866	Q	96.1	Very high	98	Very high	106 Å²	106	33.5 Å²	33.5	50%	0.495	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-19.6	-179.5	-60.7	178.5	21.9	0	0	113.2	R837 A863 L864	R837-Q866 HydrophobicContact CG-CB 3.93Å; R837-Q866 HydrophobicContact CG-CG 4.43Å; R837-Q866 CarbonylContact O-C 3.2Å; A863-Q866 PolarHBondContact O-N 3.11Å; A863-Q866 VanDerWaalsContact O-N 3.17Å; L864-Q866 PolarHBondContact O-N 3.28Å; L864-Q866 VanDerWaalsContact O-N 3.08Å
867	N	97.7	Very high	98	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.011	18%	0.183	C	C	.	.			trans	-71.7	134.8	-179.4	177.1	-84.3	0	0	0	110.6	L836 R837 A863 L864 S869 L870 N895	L836-N867 PolarHBondContact O-ND2 3.22Å; R837-N867 WeakPolarHBondContact O-CA 3.2Å; R837-N867 PolarHBondContact O-N 2.89Å; A863-N867 PolarHBondContact O-N 3.4Å; L864-N867 HydrophobicContact CD2-CB 4.04Å; L864-N867 PolarHBondContact O-N 2.89Å; N867-S869 PolarHBondContact ND2-OG 3.27Å; N867-S869 PolarHBondContact OD1-N 3.34Å; N867-L870 VanDerWaalsContact OD1-CB 3.27Å; N867-L870 WeakPolarHBondContact OD1-CB 3.34Å; N867-L870 PolarHBondContact OD1-N 3.08Å; N867-N895 PolarHBondContact O-ND2 2.87Å
868	T	96.3	Very high	98	Very high	113 Å²	113	38.6 Å²	38.6	69%	0.693	19%	0.185	S	C	*	.	S	Bend	trans	-123.4	20.7	-178.7	55.1	0	0	0	0	112.9
869	S	97.4	Very high	97.9	Very high	12 Å²	12	42.5 Å²	42.5	8%	0.084	20%	0.204	C	C	.	.	S	Bend	trans	-127.4	-30	-175.9	57.8	0	0	0	0	114.8	H839 L842 T843 N867 E871	H839-S869 WeakPolarHBondContact O-CB 3.44Å; H839-S869 PolarHBondContact O-OG 2.7Å; L842-S869 CarbonylContact O-C 3.41Å; L842-S869 VanDerWaalsContact O-C 3.25Å; L842-S869 PolarHBondContact O-OG 3.29Å; T843-S869 WeakPolarHBondContact CA-O 3.41Å; N867-S869 PolarHBondContact ND2-OG 3.27Å; N867-S869 PolarHBondContact OD1-N 3.34Å; S869-E871 PolarHBondContact O-N 3.24Å
870	L	98.4	Very high	97.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.196	C	C	.	.			trans	-76.9	120.9	-175.5	-163.6	76.5	0	0	0	110.3	L836 L842 L845 L864 N867 L873 L898	L836-L870 HydrophobicContact CD1-CD2 4.43Å; L836-L870 HydrophobicContact CD2-CD1 4.17Å; L836-L870 HydrophobicContact CD2-CD2 4.2Å; L842-L870 HydrophobicContact CD2-CD1 4.17Å; L842-L870 HydrophobicContact CG-CD1 4.11Å; L842-L870 VanDerWaalsContact O-CA 3.23Å; L842-L870 WeakPolarHBondContact O-CA 3.42Å; L842-L870 PolarHBondContact O-N 3.42Å; L845-L870 HydrophobicContact CB-CD1 3.84Å; L845-L870 HydrophobicContact CB-CD2 4.45Å; L864-L870 HydrophobicContact CD2-CB 4.19Å; L864-L870 HydrophobicContact CD2-CD2 3.62Å; N867-L870 VanDerWaalsContact OD1-CB 3.27Å; N867-L870 WeakPolarHBondContact OD1-CB 3.34Å; N867-L870 PolarHBondContact OD1-N 3.08Å; L870-L873 HydrophobicContact CD2-CB 4.05Å; L870-L873 HydrophobicContact CD2-CD1 4.19Å; L870-L898 HydrophobicContact CD2-CD1 4.4Å; L870-L898 HydrophobicContact CG-CD1 4.43Å; L870-L898 WeakPolarHBondContact O-CA 3.38Å; L870-L898 PolarHBondContact O-N 3.47Å
871	E	98.6	Very high	97.9	Very high	66 Å²	66	43.6 Å²	43.6	31%	0.308	21%	0.208	S	C	.	.			trans	-103.8	-30	179.9	-57.4	-165.1	163.5	0	0	112.3	T843 S869 K899 H900	T843-E871 PolarHBondContact O-N 3.39Å; S869-E871 PolarHBondContact O-N 3.24Å; E871-K899 HydrophobicContact CB-CD 4.31Å; E871-K899 HydrophobicContact CB-CG 4.39Å; E871-K899 WeakPolarHBondContact O-CA 3.48Å; E871-K899 PolarHBondContact O-N 3.46Å; E871-K899 IonicContact OE1-NZ 2.86Å; E871-K899 PolarHBondContact OE1-NZ 2.89Å; E871-K899 IonicContact OE2-NZ 2.65Å; E871-K899 PolarHBondContact OE2-NZ 3.17Å; E871-H900 PolarHBondContact O-N 3.45Å
872	I	98.7	Very high	97.9	Very high	43 Å²	43	45 Å²	45	22%	0.221	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	122.6	-175.8	-53.3	179.9	0	0	0	109.9	T843 T844 L845 H900	T843-I872 PolarHBondContact O-N 3.13Å; T844-I872 WeakPolarHBondContact CA-O 3.46Å; T844-I872 HydrophobicContact CG2-CB 4.09Å; T844-I872 HydrophobicContact CG2-CG2 4.22Å; L845-I872 PolarHBondContact N-O 3.39Å; I872-H900 WeakPolarHBondContact CA-O 3.33Å; I872-H900 HydrophobicContact CG1-CB 4.22Å; I872-H900 HydrophobicContact CG2-CB 4.18Å
873	L	98.7	Very high	97.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.4	175.5	-179.5	61.4	0	0	0	111.2	L845 L864 L870 L875 L898 H900 L901 W902	L845-L873 HydrophobicContact CB-CD1 4.2Å; L845-L873 HydrophobicContact CD2-CD1 4.24Å; L845-L873 HydrophobicContact CG-CD1 4.31Å; L845-L873 WeakPolarHBondContact O-CA 3.32Å; L864-L873 HydrophobicContact CD1-CD2 3.62Å; L870-L873 HydrophobicContact CD2-CB 4.05Å; L870-L873 HydrophobicContact CD2-CD1 4.19Å; L873-L875 HydrophobicContact CD1-CG 4.42Å; L873-L875 HydrophobicContact CD2-CD1 3.85Å; L873-L875 HydrophobicContact CD2-CG 4.23Å; L873-L875 HydrophobicContact CG-CD1 4.22Å; L873-L875 HydrophobicContact CG-CG 4.06Å; L873-L898 HydrophobicContact CB-CD1 4.02Å; L873-H900 PolarHBondContact N-O 3.49Å; L873-L901 HydrophobicContact CB-CD1 4.18Å; L873-L901 HydrophobicContact CD2-CD1 4.01Å; L873-L901 HydrophobicContact CG-CD1 4.26Å; L873-W902 PolarHBondContact O-N 2.9Å
874	W	98.6	Very high	97.8	Very high	86 Å²	86	43.6 Å²	43.6	33%	0.326	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117.5	172.8	-55.2	75.6	0	0	0	111.7	L845 L847 A848 W902	L845-W874 PolarHBondContact O-N 2.81Å; L847-W874 CarbonylContact C-O 3.37Å; L847-W874 PolarHBondContact N-O 3.49Å; A848-W874 HydrophobicContact CB-CB 4.36Å; A848-W874 PolarHBondContact N-O 3.48Å; W874-W902 HydrophobicContact CD2-CB 4.04Å; W874-W902 AromaticContact CD2-CD1 3.36Å; W874-W902 HydrophobicContact CD2-CD2 4.41Å; W874-W902 AromaticContact CD2-CG 3.67Å; W874-W902 HydrophobicContact CD2-CG 3.67Å; W874-W902 AromaticContact CD2-NE1 3.95Å; W874-W902 AromaticContact CE2-CD1 3.44Å; W874-W902 VanDerWaalsContact CE2-CD1 3.44Å; W874-W902 AromaticContact CE2-NE1 3.55Å; W874-W902 HydrophobicContact CE3-CB 3.56Å; W874-W902 AromaticContact CE3-CD1 3.58Å; W874-W902 AromaticContact CE3-CD2 3.9Å; W874-W902 HydrophobicContact CE3-CD2 3.9Å; W874-W902 AromaticContact CE3-CG 3.37Å; W874-W902 HydrophobicContact CE3-CG 3.37Å; W874-W902 HydrophobicContact CG-CB 4.46Å; W874-W902 AromaticContact CG-CD1 3.85Å; W874-W902 HydrophobicContact CG-CG 4.34Å; W874-W902 AromaticContact CH2-CD1 3.94Å; W874-W902 AromaticContact CH2-CD2 3.68Å; W874-W902 HydrophobicContact CH2-CD2 3.68Å; W874-W902 AromaticContact CH2-CE2 3.52Å; W874-W902 HydrophobicContact CH2-CE3 4.25Å; W874-W902 AromaticContact CH2-CG 3.96Å; W874-W902 HydrophobicContact CH2-CG 3.96Å; W874-W902 HydrophobicContact CH2-CZ2 4.02Å; W874-W902 AromaticContact CH2-NE1 3.65Å; W874-W902 AromaticContact CZ2-CD1 3.75Å; W874-W902 HydrophobicContact CZ2-CD2 4.22Å; W874-W902 AromaticContact CZ2-CE2 3.75Å; W874-W902 HydrophobicContact CZ2-CG 4.24Å; W874-W902 HydrophobicContact CZ2-CZ2 4.35Å; W874-W902 AromaticContact CZ2-NE1 3.4Å; W874-W902 HydrophobicContact CZ3-CB 4.05Å; W874-W902 AromaticContact CZ3-CD1 3.86Å; W874-W902 AromaticContact CZ3-CD2 3.5Å; W874-W902 HydrophobicContact CZ3-CD2 3.5Å; W874-W902 AromaticContact CZ3-CE2 3.88Å; W874-W902 AromaticContact CZ3-CE3 3.95Å; W874-W902 HydrophobicContact CZ3-CE3 3.95Å; W874-W902 AromaticContact CZ3-CG 3.53Å; W874-W902 HydrophobicContact CZ3-CG 3.53Å; W874-W902 AromaticContact NE1-CD1 3.94Å
875	L	98.5	Very high	97.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.214	C	C	.	.			trans	-123.6	18.8	172.9	-68.4	172.1	0	0	0	112	L847 I852 L860 L873 N878 L880 W902 L903 N906	L847-L875 HydrophobicContact CB-CD2 4.08Å; I852-L875 HydrophobicContact CD1-CD2 4.2Å; L860-L875 HydrophobicContact CD1-CD1 4.41Å; L860-L875 HydrophobicContact CD1-CD2 3.74Å; L873-L875 HydrophobicContact CD1-CG 4.42Å; L873-L875 HydrophobicContact CD2-CD1 3.85Å; L873-L875 HydrophobicContact CD2-CG 4.23Å; L873-L875 HydrophobicContact CG-CD1 4.22Å; L873-L875 HydrophobicContact CG-CG 4.06Å; L875-N878 PolarHBondContact O-ND2 3.1Å; L875-L880 HydrophobicContact CB-CD1 3.84Å; L875-L880 HydrophobicContact CD1-CD1 3.99Å; L875-L880 HydrophobicContact CG-CD1 4.43Å; L875-W902 CarbonylContact C-O 3.57Å; L875-W902 WeakPolarHBondContact CA-O 3.38Å; L875-W902 PolarHBondContact N-O 3.29Å; L875-L903 HydrophobicContact CB-CD2 4.13Å; L875-L903 HydrophobicContact CD1-CD2 4.27Å; L875-N906 PolarHBondContact O-ND2 2.95Å
876	T	98.2	Very high	97.9	Very high	17 Å²	17	44.9 Å²	44.9	10%	0.104	22%	0.22	C	C	.	.			trans	-50.4	143	175.2	-57.9	0	0	0	0	112.4	A848 S849 N878 W902 I904	A848-T876 CarbonylContact C-O 3.35Å; A848-T876 WeakPolarHBondContact CA-O 3.09Å; A848-T876 VanDerWaalsContact CB-O 3.31Å; A848-T876 WeakPolarHBondContact CB-O 3.46Å; S849-T876 PolarHBondContact N-O 3.12Å; T876-N878 PolarHBondContact O-ND2 3.17Å; T876-W902 PolarHBondContact N-O 2.7Å; T876-I904 CarbonylContact C-O 3.32Å; T876-I904 WeakPolarHBondContact CA-O 3.45Å; T876-I904 HydrophobicContact CG2-CB 3.7Å; T876-I904 HydrophobicContact CG2-CG2 3.89Å
877	Q	97.8	Very high	98	Very high	97 Å²	97	41.1 Å²	41.1	45%	0.453	21%	0.206	S	C	.	.	S	Bend	trans	56.1	54.4	176.7	-69.6	178.4	11.4	0	0	113.6	S849 I904 Q905	S849-Q877 WeakPolarHBondContact CA-O 3.26Å; S849-Q877 PolarHBondContact N-O 3.25Å; S849-Q877 WeakPolarHBondContact OG-CB 3.49Å; S849-Q877 PolarHBondContact OG-OE1 3.29Å; Q877-I904 PolarHBondContact N-O 3.15Å; Q877-Q905 WeakPolarHBondContact CA-O 3.04Å; Q877-Q905 VanDerWaalsContact CD-OE1 3.27Å; Q877-Q905 HydrophobicContact CG-CB 3.76Å; Q877-Q905 PolarHBondContact N-O 2.88Å
878	N	98.6	Very high	98	Very high	10 Å²	10	41 Å²	41	5%	0.053	21%	0.205	C	C	.	.	S	Bend	trans	-125.1	-170.2	172.4	-78.7	-63.1	0	0	0	109.4	L847 N850 G851 I852 L875 T876 L880 N906	L847-N878 PolarHBondContact O-ND2 3.47Å; L847-N878 VanDerWaalsContact O-ND2 3.12Å; N850-N878 PolarHBondContact N-OD1 2.84Å; G851-N878 PolarHBondContact N-OD1 2.89Å; I852-N878 HydrophobicContact CB-CB 4.26Å; I852-N878 PolarHBondContact N-OD1 3.29Å; I852-N878 WeakPolarHBondContact O-CB 3.37Å; L875-N878 PolarHBondContact O-ND2 3.1Å; T876-N878 PolarHBondContact O-ND2 3.17Å; N878-L880 HydrophobicContact CB-CG 4.1Å; N878-N906 WeakPolarHBondContact CA-OD1 3.41Å; N878-N906 VanDerWaalsContact CB-OD1 3.25Å; N878-N906 WeakPolarHBondContact CB-OD1 3.34Å; N878-N906 PolarHBondContact N-OD1 2.99Å; N878-N906 VanDerWaalsContact N-OD1 3.15Å; N878-N906 PolarHBondContact O-OD1 3.49Å
879	E	97.4	Very high	98.1	Very high	105 Å²	105	35.9 Å²	35.9	49%	0.491	17%	0.174	S	C	.	.	B	Isolated β-bridge	trans	-108.2	41.7	-176.6	-63	174.6	-156.8	0	0	111.1	I852	I852-E879 PolarHBondContact O-N 3.12Å
880	L	98.3	Very high	98.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.189	C	C	.	.			trans	-82.7	125	-178.1	-56.8	-176	0	0	0	110.8	I852 S853 L875 N878 V884 L903 N906 Q907 I908	I852-L880 HydrophobicContact CG2-CD2 4.29Å; S853-L880 WeakPolarHBondContact O-CD2 3.43Å; L875-L880 HydrophobicContact CB-CD1 3.84Å; L875-L880 HydrophobicContact CD1-CD1 3.99Å; L875-L880 HydrophobicContact CG-CD1 4.43Å; N878-L880 HydrophobicContact CB-CG 4.1Å; L880-V884 HydrophobicContact CB-CG1 3.56Å; L880-V884 HydrophobicContact CD2-CG1 4.01Å; L880-V884 HydrophobicContact CD2-CG2 4.4Å; L880-V884 HydrophobicContact CG-CG1 4.26Å; L880-L903 HydrophobicContact CD1-CD2 3.84Å; L880-N906 HydrophobicContact CB-CB 4.02Å; L880-N906 VanDerWaalsContact CB-OD1 3.28Å; L880-N906 WeakPolarHBondContact CB-OD1 3.44Å; L880-N906 VanDerWaalsContact CG-OD1 3.24Å; L880-N906 WeakPolarHBondContact CG-OD1 3.47Å; L880-N906 PolarHBondContact N-OD1 3Å; L880-Q907 CarbonylContact O-C 3.54Å; L880-Q907 VanDerWaalsContact O-C 3.26Å; L880-Q907 VanDerWaalsContact O-CA 3.26Å; L880-Q907 WeakPolarHBondContact O-CA 3.29Å; L880-Q907 WeakPolarHBondContact O-CB 3.25Å; L880-Q907 PolarHBondContact O-N 3.35Å; L880-I908 PolarHBondContact O-N 2.85Å
881	N	97.5	Very high	98.1	Very high	49 Å²	49	39.5 Å²	39.5	26%	0.262	19%	0.189	S	C	.	.			trans	-110.5	-168.8	177.9	72.2	19	0	0	0	112.5	T854 E883 V884 A885 Q907	T854-N881 PolarHBondContact OG1-N 3.49Å; T854-N881 PolarHBondContact OG1-ND2 3.22Å; T854-N881 PolarHBondContact OG1-OD1 2.9Å; N881-E883 VanDerWaalsContact C-N 3.27Å; N881-E883 PolarHBondContact O-N 2.67Å; N881-E883 WeakPolarHBondContact OD1-CB 3.46Å; N881-E883 PolarHBondContact OD1-N 2.96Å; N881-V884 WeakPolarHBondContact O-CG1 3.47Å; N881-V884 PolarHBondContact O-N 2.86Å; N881-A885 PolarHBondContact O-N 3.48Å; N881-Q907 HydrophobicContact CB-CB 4.4Å
882	D	98.1	Very high	98	Very high	29 Å²	29	36.3 Å²	36.3	16%	0.155	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-27	-179.5	-65.6	-27.5	0	0	0	114.4	V884 A885 E886 T909 G912 Q915	D882-V884 PolarHBondContact O-N 2.89Å; D882-A885 WeakPolarHBondContact O-CB 3.45Å; D882-A885 PolarHBondContact O-N 2.7Å; D882-E886 PolarHBondContact O-N 3.44Å; D882-T909 VanDerWaalsContact CG-OG1 3.31Å; D882-T909 PolarHBondContact OD1-N 3Å; D882-T909 PolarHBondContact OD1-OG1 3.48Å; D882-T909 PolarHBondContact OD2-OG1 3.38Å; D882-G912 VanDerWaalsContact OD1-CA 3.31Å; D882-G912 WeakPolarHBondContact OD1-CA 3.28Å; D882-G912 PolarHBondContact OD1-N 2.73Å; D882-Q915 PolarHBondContact O-OE1 3.31Å
883	E	97.7	Very high	98	Very high	104 Å²	104	38.1 Å²	38.1	49%	0.486	18%	0.181	S	C	.	.	H	α-helix	trans	-69.4	-34	-179.5	-61.5	-178.8	-167.6	0	0	112.7	T854 K858 N881 S887	T854-E883 HydrophobicContact CG2-CB 3.72Å; K858-E883 IonicContact NZ-OE2 2.75Å; K858-E883 PolarHBondContact NZ-OE2 2.87Å; N881-E883 VanDerWaalsContact C-N 3.27Å; N881-E883 PolarHBondContact O-N 2.67Å; N881-E883 WeakPolarHBondContact OD1-CB 3.46Å; N881-E883 PolarHBondContact OD1-N 2.96Å; E883-S887 PolarHBondContact O-N 3.42Å
884	V	97.7	Very high	97.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-76.3	-30.3	172.2	56.4	0	0	0	0	110.7	T854 L880 N881 D882 E886 S887 L888	T854-V884 HydrophobicContact CG2-CB 4.14Å; T854-V884 HydrophobicContact CG2-CG1 4.49Å; L880-V884 HydrophobicContact CB-CG1 3.56Å; L880-V884 HydrophobicContact CD2-CG1 4.01Å; L880-V884 HydrophobicContact CD2-CG2 4.4Å; L880-V884 HydrophobicContact CG-CG1 4.26Å; N881-V884 WeakPolarHBondContact O-CG1 3.47Å; N881-V884 PolarHBondContact O-N 2.86Å; D882-V884 PolarHBondContact O-N 2.89Å; V884-E886 VanDerWaalsContact C-N 3.26Å; V884-E886 PolarHBondContact O-N 3.44Å; V884-S887 PolarHBondContact O-N 3.34Å; V884-S887 VanDerWaalsContact O-N 3.13Å; V884-L888 HydrophobicContact CG2-CD1 4.02Å; V884-L888 HydrophobicContact CG2-CG 4.08Å; V884-L888 WeakPolarHBondContact O-CB 2.9Å; V884-L888 VanDerWaalsContact O-CG 3.27Å; V884-L888 WeakPolarHBondContact O-CG 3.36Å; V884-L888 PolarHBondContact O-N 3.33Å
885	A	97.4	Very high	97.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.8	-39.5	171.8	0	0	0	0	0	111.5	N881 D882 L888 A889 I908 L916	N881-A885 PolarHBondContact O-N 3.48Å; D882-A885 WeakPolarHBondContact O-CB 3.45Å; D882-A885 PolarHBondContact O-N 2.7Å; A885-L888 PolarHBondContact O-N 3.17Å; A885-A889 WeakPolarHBondContact O-CB 3.36Å; A885-A889 PolarHBondContact O-N 3.33Å; A885-I908 HydrophobicContact CB-CG2 4.4Å; A885-L916 HydrophobicContact CB-CD1 4.37Å; A885-L916 HydrophobicContact CB-CG 4.31Å
886	E	97.8	Very high	97.7	Very high	103 Å²	103	42.3 Å²	42.3	48%	0.481	21%	0.211	S	C	.	.	H	α-helix	trans	-59.8	-47.4	171.5	-170.5	175.6	158.9	0	0	112.3	D882 V884 L888 A889 E890 Q915	D882-E886 PolarHBondContact O-N 3.44Å; V884-E886 VanDerWaalsContact C-N 3.26Å; V884-E886 PolarHBondContact O-N 3.44Å; E886-L888 VanDerWaalsContact C-N 3.33Å; E886-L888 PolarHBondContact O-N 3.41Å; E886-A889 WeakPolarHBondContact O-CB 3.33Å; E886-A889 PolarHBondContact O-N 2.92Å; E886-E890 PolarHBondContact O-N 2.84Å; E886-Q915 PolarHBondContact OE2-NE2 2.97Å
887	S	98.1	Very high	97.6	Very high	27 Å²	27	43.3 Å²	43.3	19%	0.189	22%	0.217	C	C	.	.	H	α-helix	trans	-67.1	-34.5	178.8	-65.4	0	0	0	0	112.8	E883 V884 M891	E883-S887 PolarHBondContact O-N 3.42Å; V884-S887 PolarHBondContact O-N 3.34Å; V884-S887 VanDerWaalsContact O-N 3.13Å; S887-M891 WeakPolarHBondContact O-CB 3.33Å; S887-M891 PolarHBondContact O-N 2.9Å
888	L	98.2	Very high	97.6	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-67.3	-41.8	172.7	-72.4	168.8	0	0	0	110.5	A861 V884 A885 E886 E890 M891 L892 L901 L903 L916	A861-L888 HydrophobicContact CB-CD2 3.91Å; A861-L888 HydrophobicContact CB-CG 4.33Å; V884-L888 HydrophobicContact CG2-CD1 4.02Å; V884-L888 HydrophobicContact CG2-CG 4.08Å; V884-L888 WeakPolarHBondContact O-CB 2.9Å; V884-L888 VanDerWaalsContact O-CG 3.27Å; V884-L888 WeakPolarHBondContact O-CG 3.36Å; V884-L888 PolarHBondContact O-N 3.33Å; A885-L888 PolarHBondContact O-N 3.17Å; E886-L888 VanDerWaalsContact C-N 3.33Å; E886-L888 PolarHBondContact O-N 3.41Å; L888-E890 PolarHBondContact O-N 2.91Å; L888-M891 HydrophobicContact CD2-CE 3.91Å; L888-M891 CarbonylContact O-C 3.5Å; L888-M891 WeakPolarHBondContact O-CA 3.36Å; L888-M891 WeakPolarHBondContact O-CB 3.31Å; L888-M891 PolarHBondContact O-N 3.5Å; L888-M891 VanDerWaalsContact O-N 3.11Å; L888-L892 VanDerWaalsContact O-CG 3.27Å; L888-L892 WeakPolarHBondContact O-CG 3.28Å; L888-L892 PolarHBondContact O-N 3.49Å; L888-L901 HydrophobicContact CD1-CD2 4.44Å; L888-L901 HydrophobicContact CD2-CD2 4.33Å; L888-L903 HydrophobicContact CD1-CD1 4.11Å; L888-L903 HydrophobicContact CD1-CD2 4.02Å; L888-L916 HydrophobicContact CB-CD2 3.83Å
889	A	98	Very high	97.6	Very high	4 Å²	4	41.8 Å²	41.8	3%	0.033	21%	0.208	C	C	.	.	H	α-helix	trans	-58.5	-46.1	174.8	0	0	0	0	0	111.5	A885 E886 M891 L892 K893 Q915 L916 A919	A885-A889 WeakPolarHBondContact O-CB 3.36Å; A885-A889 PolarHBondContact O-N 3.33Å; E886-A889 WeakPolarHBondContact O-CB 3.33Å; E886-A889 PolarHBondContact O-N 2.92Å; A889-M891 VanDerWaalsContact C-N 3.3Å; A889-M891 PolarHBondContact O-N 2.91Å; A889-L892 PolarHBondContact O-N 3.4Å; A889-L892 VanDerWaalsContact O-N 3.17Å; A889-K893 WeakPolarHBondContact O-CG 3.4Å; A889-K893 PolarHBondContact O-N 3.1Å; A889-Q915 HydrophobicContact CB-CB 4.17Å; A889-Q915 VanDerWaalsContact CB-O 3.29Å; A889-Q915 WeakPolarHBondContact CB-O 3.32Å; A889-L916 HydrophobicContact CB-CD2 4.46Å; A889-A919 HydrophobicContact CB-CB 3.81Å; A889-A919 VanDerWaalsContact O-CB 3.23Å; A889-A919 WeakPolarHBondContact O-CB 3.37Å
890	E	97.9	Very high	97.7	Very high	88 Å²	88	39.2 Å²	39.2	41%	0.411	20%	0.196	S	C	.	.	H	α-helix	trans	-62.7	-36.2	174	-69	-53.4	122.2	0	0	112.7	E886 L888 K893	E886-E890 PolarHBondContact O-N 2.84Å; L888-E890 PolarHBondContact O-N 2.91Å; E890-K893 IonicContact OE1-NZ 2.72Å; E890-K893 PolarHBondContact OE1-NZ 2.9Å
891	M	97.8	Very high	97.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.1	-44	172.4	178.2	-80.5	-64.5	0	0	112.1	A861 L864 Q865 S887 L888 A889 K893 V894 N895 L898	A861-M891 HydrophobicContact CB-CB 4.26Å; A861-M891 WeakPolarHBondContact O-CB 3.47Å; A861-M891 WeakPolarHBondContact O-CG 3.38Å; L864-M891 HydrophobicContact CB-CE 4.47Å; L864-M891 HydrophobicContact CB-CG 3.63Å; L864-M891 HydrophobicContact CB-SD 3.87Å; L864-M891 HydrophobicContact CD1-CE 4.31Å; Q865-M891 HydrophobicContact CG-CB 4Å; Q865-M891 HydrophobicContact CG-CG 4.08Å; S887-M891 WeakPolarHBondContact O-CB 3.33Å; S887-M891 PolarHBondContact O-N 2.9Å; L888-M891 HydrophobicContact CD2-CE 3.91Å; L888-M891 CarbonylContact O-C 3.5Å; L888-M891 WeakPolarHBondContact O-CA 3.36Å; L888-M891 WeakPolarHBondContact O-CB 3.31Å; L888-M891 PolarHBondContact O-N 3.5Å; L888-M891 VanDerWaalsContact O-N 3.11Å; A889-M891 VanDerWaalsContact C-N 3.3Å; A889-M891 PolarHBondContact O-N 2.91Å; M891-K893 VanDerWaalsContact C-N 3.29Å; M891-K893 PolarHBondContact O-N 3.48Å; M891-V894 PolarHBondContact O-N 3.23Å; M891-V894 VanDerWaalsContact O-N 3.08Å; M891-N895 HydrophobicContact CG-CB 4.35Å; M891-N895 WeakPolarHBondContact O-CB 3.46Å; M891-N895 PolarHBondContact O-N 2.95Å; M891-N895 HydrophobicContact SD-CB 3.52Å; M891-N895 VanDerWaalsContact SD-CB 3.52Å; M891-L898 HydrophobicContact CE-CD2 3.95Å
892	L	97.9	Very high	97.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.3	-29.7	179.6	-69.3	-179.3	0	0	0	112.7	L888 A889 V894 L916 A919 L920 N923 I926 I929	L888-L892 VanDerWaalsContact O-CG 3.27Å; L888-L892 WeakPolarHBondContact O-CG 3.28Å; L888-L892 PolarHBondContact O-N 3.49Å; A889-L892 PolarHBondContact O-N 3.4Å; A889-L892 VanDerWaalsContact O-N 3.17Å; L892-V894 PolarHBondContact O-N 2.72Å; L892-L916 HydrophobicContact CD1-CD2 4.07Å; L892-A919 HydrophobicContact CB-CB 4.02Å; L892-L920 HydrophobicContact CD1-CD2 4.45Å; L892-N923 WeakPolarHBondContact O-CB 3.37Å; L892-N923 PolarHBondContact O-ND2 3.45Å; L892-I926 HydrophobicContact CD2-CD1 3.62Å; L892-I926 HydrophobicContact CD2-CG1 3.53Å; L892-I929 HydrophobicContact CD1-CD1 3.64Å
893	K	97.4	Very high	97.8	Very high	80 Å²	80	37.6 Å²	37.6	35%	0.348	18%	0.184	S	C	.	.	H	α-helix	trans	-61.3	-25.3	173.4	-70.4	172.5	-176.2	172.1	0	112.8	A889 E890 M891 A919	A889-K893 WeakPolarHBondContact O-CG 3.4Å; A889-K893 PolarHBondContact O-N 3.1Å; E890-K893 IonicContact OE1-NZ 2.72Å; E890-K893 PolarHBondContact OE1-NZ 2.9Å; M891-K893 VanDerWaalsContact C-N 3.29Å; M891-K893 PolarHBondContact O-N 3.48Å; K893-A919 HydrophobicContact CG-CB 4.01Å
894	V	96.7	Very high	97.8	Very high	92 Å²	92	34.3 Å²	34.3	56%	0.558	17%	0.17	S	C	*	.	H	α-helix	trans	-109	-45.7	-175.6	-176.3	0	0	0	0	112.6	M891 L892 Q896	M891-V894 PolarHBondContact O-N 3.23Å; M891-V894 VanDerWaalsContact O-N 3.08Å; L892-V894 PolarHBondContact O-N 2.72Å; V894-Q896 PolarHBondContact O-N 3.1Å
895	N	97.1	Very high	97.7	Very high	5 Å²	5	39 Å²	39	3%	0.027	19%	0.191	C	C	.	.			trans	-76.5	119.2	-176.6	-174.8	-61.2	0	0	0	110.8	L864 N867 M891 T897 L898 N923	L864-N895 PolarHBondContact O-ND2 3.38Å; N867-N895 PolarHBondContact O-ND2 2.87Å; M891-N895 HydrophobicContact CG-CB 4.35Å; M891-N895 WeakPolarHBondContact O-CB 3.46Å; M891-N895 PolarHBondContact O-N 2.95Å; M891-N895 HydrophobicContact SD-CB 3.52Å; M891-N895 VanDerWaalsContact SD-CB 3.52Å; N895-T897 PolarHBondContact OD1-N 3.49Å; N895-L898 PolarHBondContact OD1-N 2.84Å; N895-N923 PolarHBondContact O-ND2 3.15Å
896	Q	95.8	Very high	97.8	Very high	78 Å²	78	39.4 Å²	39.4	36%	0.364	19%	0.194	S	C	.	.			trans	-108.9	8.1	177.1	-56.9	-66.1	-36.7	0	0	112.8	V894 T924 G925	V894-Q896 PolarHBondContact O-N 3.1Å; Q896-T924 PolarHBondContact OE1-OG1 3.3Å; Q896-T924 VanDerWaalsContact OE1-OG1 3.06Å; Q896-G925 WeakPolarHBondContact O-CA 3.28Å
897	T	97.3	Very high	97.7	Very high	38 Å²	38	39 Å²	39	23%	0.233	19%	0.192	C	C	.	.	S	Bend	trans	-98.3	-37.9	-176.6	-53.2	0	0	0	0	112.7	N895 K899	N895-T897 PolarHBondContact OD1-N 3.49Å; T897-K899 PolarHBondContact O-N 3.02Å
898	L	98.2	Very high	97.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.			trans	-63.9	126.9	179.5	-169.9	70.8	0	0	0	109.1	L870 L873 M891 N895 L901 G925 I926	L870-L898 HydrophobicContact CD2-CD1 4.4Å; L870-L898 HydrophobicContact CG-CD1 4.43Å; L870-L898 WeakPolarHBondContact O-CA 3.38Å; L870-L898 PolarHBondContact O-N 3.47Å; L873-L898 HydrophobicContact CB-CD1 4.02Å; M891-L898 HydrophobicContact CE-CD2 3.95Å; N895-L898 PolarHBondContact OD1-N 2.84Å; L898-L901 HydrophobicContact CD2-CB 4.21Å; L898-L901 HydrophobicContact CD2-CD1 4.38Å; L898-G925 CarbonylContact O-C 3.47Å; L898-I926 HydrophobicContact CB-CD1 4.09Å; L898-I926 HydrophobicContact CD2-CD1 4.06Å; L898-I926 HydrophobicContact CG-CD1 3.95Å; L898-I926 WeakPolarHBondContact O-CD1 3.47Å; L898-I926 PolarHBondContact O-N 2.95Å
899	K	98.4	Very high	97.6	Very high	75 Å²	75	39.7 Å²	39.7	33%	0.326	20%	0.195	S	C	.	.			trans	-103.7	-48.3	-178.8	-62.3	178.7	-171.9	159.1	0	111	E871 T897 T927 E928	E871-K899 HydrophobicContact CB-CD 4.31Å; E871-K899 HydrophobicContact CB-CG 4.39Å; E871-K899 WeakPolarHBondContact O-CA 3.48Å; E871-K899 PolarHBondContact O-N 3.46Å; E871-K899 IonicContact OE1-NZ 2.86Å; E871-K899 PolarHBondContact OE1-NZ 2.89Å; E871-K899 IonicContact OE2-NZ 2.65Å; E871-K899 PolarHBondContact OE2-NZ 3.17Å; T897-K899 PolarHBondContact O-N 3.02Å; K899-T927 HydrophobicContact CB-CG2 4.42Å; K899-T927 PolarHBondContact O-N 3.36Å; K899-T927 PolarHBondContact O-OG1 3.35Å; K899-E928 PolarHBondContact O-N 3.49Å; K899-E928 VanDerWaalsContact O-N 3.13Å
900	H	98.6	Very high	97.5	Very high	50 Å²	50	40.4 Å²	40.4	23%	0.231	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.9	-175.4	-59.6	-88.8	0	0	0	111.5	E871 I872 L873 T927 E928	E871-H900 PolarHBondContact O-N 3.45Å; I872-H900 WeakPolarHBondContact CA-O 3.33Å; I872-H900 HydrophobicContact CG1-CB 4.22Å; I872-H900 HydrophobicContact CG2-CB 4.18Å; L873-H900 PolarHBondContact N-O 3.49Å; H900-T927 PolarHBondContact CE1-OG1 3.47Å; H900-T927 PolarHBondContact ND1-OG1 2.95Å; H900-T927 PolarHBondContact NE2-OG1 3.07Å; H900-E928 WeakPolarHBondContact CA-O 3.29Å; H900-E928 IonicContact CE1-OE2 3.23Å; H900-E928 IonicContact ND1-OE2 2.56Å; H900-E928 PolarHBondContact ND1-OE2 2.86Å
901	L	98.5	Very high	97.4	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	107.9	176.8	179.7	58	0	0	0	110.3	L873 L888 L898 L903 E928 I929 C930	L873-L901 HydrophobicContact CB-CD1 4.18Å; L873-L901 HydrophobicContact CD2-CD1 4.01Å; L873-L901 HydrophobicContact CG-CD1 4.26Å; L888-L901 HydrophobicContact CD1-CD2 4.44Å; L888-L901 HydrophobicContact CD2-CD2 4.33Å; L898-L901 HydrophobicContact CD2-CB 4.21Å; L898-L901 HydrophobicContact CD2-CD1 4.38Å; L901-L903 HydrophobicContact CD1-CD2 4.25Å; L901-L903 HydrophobicContact CD1-CG 4.4Å; L901-L903 HydrophobicContact CD2-CD1 4.05Å; L901-L903 HydrophobicContact CD2-CG 4.42Å; L901-L903 HydrophobicContact CG-CD1 4.13Å; L901-L903 HydrophobicContact CG-CD2 4.35Å; L901-L903 HydrophobicContact CG-CG 3.99Å; L901-E928 PolarHBondContact N-O 2.74Å; L901-I929 HydrophobicContact CB-CG1 4.34Å; L901-I929 WeakPolarHBondContact O-CA 3.25Å; L901-C930 PolarHBondContact O-N 3.35Å
902	W	98.4	Very high	97.3	Very high	43 Å²	43	42.8 Å²	42.8	16%	0.163	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	107.9	-177.8	-55.2	92.2	0	0	0	110.8	L873 W874 L875 T876 I904 E928 C930	L873-W902 PolarHBondContact O-N 2.9Å; W874-W902 HydrophobicContact CD2-CB 4.04Å; W874-W902 AromaticContact CD2-CD1 3.36Å; W874-W902 HydrophobicContact CD2-CD2 4.41Å; W874-W902 AromaticContact CD2-CG 3.67Å; W874-W902 HydrophobicContact CD2-CG 3.67Å; W874-W902 AromaticContact CD2-NE1 3.95Å; W874-W902 AromaticContact CE2-CD1 3.44Å; W874-W902 VanDerWaalsContact CE2-CD1 3.44Å; W874-W902 AromaticContact CE2-NE1 3.55Å; W874-W902 HydrophobicContact CE3-CB 3.56Å; W874-W902 AromaticContact CE3-CD1 3.58Å; W874-W902 AromaticContact CE3-CD2 3.9Å; W874-W902 HydrophobicContact CE3-CD2 3.9Å; W874-W902 AromaticContact CE3-CG 3.37Å; W874-W902 HydrophobicContact CE3-CG 3.37Å; W874-W902 HydrophobicContact CG-CB 4.46Å; W874-W902 AromaticContact CG-CD1 3.85Å; W874-W902 HydrophobicContact CG-CG 4.34Å; W874-W902 AromaticContact CH2-CD1 3.94Å; W874-W902 AromaticContact CH2-CD2 3.68Å; W874-W902 HydrophobicContact CH2-CD2 3.68Å; W874-W902 AromaticContact CH2-CE2 3.52Å; W874-W902 HydrophobicContact CH2-CE3 4.25Å; W874-W902 AromaticContact CH2-CG 3.96Å; W874-W902 HydrophobicContact CH2-CG 3.96Å; W874-W902 HydrophobicContact CH2-CZ2 4.02Å; W874-W902 AromaticContact CH2-NE1 3.65Å; W874-W902 AromaticContact CZ2-CD1 3.75Å; W874-W902 HydrophobicContact CZ2-CD2 4.22Å; W874-W902 AromaticContact CZ2-CE2 3.75Å; W874-W902 HydrophobicContact CZ2-CG 4.24Å; W874-W902 HydrophobicContact CZ2-CZ2 4.35Å; W874-W902 AromaticContact CZ2-NE1 3.4Å; W874-W902 HydrophobicContact CZ3-CB 4.05Å; W874-W902 AromaticContact CZ3-CD1 3.86Å; W874-W902 AromaticContact CZ3-CD2 3.5Å; W874-W902 HydrophobicContact CZ3-CD2 3.5Å; W874-W902 AromaticContact CZ3-CE2 3.88Å; W874-W902 AromaticContact CZ3-CE3 3.95Å; W874-W902 HydrophobicContact CZ3-CE3 3.95Å; W874-W902 AromaticContact CZ3-CG 3.53Å; W874-W902 HydrophobicContact CZ3-CG 3.53Å; W874-W902 AromaticContact NE1-CD1 3.94Å; L875-W902 CarbonylContact C-O 3.57Å; L875-W902 WeakPolarHBondContact CA-O 3.38Å; L875-W902 PolarHBondContact N-O 3.29Å; T876-W902 PolarHBondContact N-O 2.7Å; W902-I904 HydrophobicContact CE3-CD1 3.71Å; W902-I904 HydrophobicContact CE3-CG1 4.4Å; W902-I904 HydrophobicContact CZ3-CD1 4.22Å; W902-E928 WeakPolarHBondContact CH2-OE1 3.32Å; W902-C930 HydrophobicContact CD2-CB 4.34Å; W902-C930 HydrophobicContact CE3-CB 3.34Å; W902-C930 HydrophobicContact CZ3-CB 3.5Å
903	L	98.3	Very high	97.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.21	C	C	.	.			trans	-112.7	17.7	-179.9	-62.3	170.4	0	0	0	112	L875 L880 L888 L901 N906 I908 L916 I929 C930 L931 N934	L875-L903 HydrophobicContact CB-CD2 4.13Å; L875-L903 HydrophobicContact CD1-CD2 4.27Å; L880-L903 HydrophobicContact CD1-CD2 3.84Å; L888-L903 HydrophobicContact CD1-CD1 4.11Å; L888-L903 HydrophobicContact CD1-CD2 4.02Å; L901-L903 HydrophobicContact CD1-CD2 4.25Å; L901-L903 HydrophobicContact CD1-CG 4.4Å; L901-L903 HydrophobicContact CD2-CD1 4.05Å; L901-L903 HydrophobicContact CD2-CG 4.42Å; L901-L903 HydrophobicContact CG-CD1 4.13Å; L901-L903 HydrophobicContact CG-CD2 4.35Å; L901-L903 HydrophobicContact CG-CG 3.99Å; L903-N906 VanDerWaalsContact C-ND2 3.33Å; L903-N906 PolarHBondContact O-ND2 3.39Å; L903-I908 HydrophobicContact CB-CD1 4.21Å; L903-I908 HydrophobicContact CD1-CD1 3.88Å; L903-I908 HydrophobicContact CG-CD1 4.44Å; L903-L916 HydrophobicContact CD1-CD1 4Å; L903-I929 HydrophobicContact CD1-CG2 3.95Å; L903-C930 CarbonylContact C-O 3.26Å; L903-C930 VanDerWaalsContact C-O 3.32Å; L903-C930 WeakPolarHBondContact CA-O 3.46Å; L903-C930 PolarHBondContact N-O 3.11Å; L903-L931 HydrophobicContact CB-CD2 3.78Å; L903-L931 HydrophobicContact CD1-CD2 3.92Å; L903-N934 PolarHBondContact O-ND2 3.36Å
904	I	97.7	Very high	97.2	Very high	36 Å²	36	41.1 Å²	41.1	19%	0.185	21%	0.211	C	C	.	.			trans	-52	140.2	-178	-62.9	171.5	0	0	0	111.2	T876 Q877 W902 N906 C930 N932	T876-I904 CarbonylContact C-O 3.32Å; T876-I904 WeakPolarHBondContact CA-O 3.45Å; T876-I904 HydrophobicContact CG2-CB 3.7Å; T876-I904 HydrophobicContact CG2-CG2 3.89Å; Q877-I904 PolarHBondContact N-O 3.15Å; W902-I904 HydrophobicContact CE3-CD1 3.71Å; W902-I904 HydrophobicContact CE3-CG1 4.4Å; W902-I904 HydrophobicContact CZ3-CD1 4.22Å; I904-N906 PolarHBondContact O-N 3.3Å; I904-N906 PolarHBondContact O-ND2 3.36Å; I904-C930 HydrophobicContact CD1-CB 4.26Å; I904-C930 HydrophobicContact CG1-CB 3.97Å; I904-C930 WeakPolarHBondContact CG1-SG 3.39Å; I904-C930 PolarHBondContact N-O 3.27Å; I904-N932 CarbonylContact C-O 3.53Å; I904-N932 VanDerWaalsContact CA-O 3.25Å; I904-N932 WeakPolarHBondContact CA-O 3.41Å; I904-N932 HydrophobicContact CG1-CB 4.37Å; I904-N932 HydrophobicContact CG2-CB 4.46Å; I904-N932 WeakPolarHBondContact CG2-O 3.36Å
905	Q	97.1	Very high	97.1	Very high	97 Å²	97	38.8 Å²	38.8	45%	0.453	19%	0.194	S	C	.	.	S	Bend	trans	54.1	54	175.3	-70.1	175.9	-18.1	0	0	113.5	Q877 N932 G933	Q877-Q905 WeakPolarHBondContact CA-O 3.04Å; Q877-Q905 VanDerWaalsContact CD-OE1 3.27Å; Q877-Q905 HydrophobicContact CG-CB 3.76Å; Q877-Q905 PolarHBondContact N-O 2.88Å; Q905-N932 PolarHBondContact N-O 3.41Å; Q905-G933 WeakPolarHBondContact CA-O 3.3Å
906	N	98.2	Very high	97.2	Very high	10 Å²	10	38.5 Å²	38.5	5%	0.053	19%	0.192	C	C	.	.	S	Bend	trans	-116.6	-163.4	169.9	-80	-83.7	0	0	0	109.6	L875 N878 L880 L903 I904 N934	L875-N906 PolarHBondContact O-ND2 2.95Å; N878-N906 WeakPolarHBondContact CA-OD1 3.41Å; N878-N906 VanDerWaalsContact CB-OD1 3.25Å; N878-N906 WeakPolarHBondContact CB-OD1 3.34Å; N878-N906 PolarHBondContact N-OD1 2.99Å; N878-N906 VanDerWaalsContact N-OD1 3.15Å; N878-N906 PolarHBondContact O-OD1 3.49Å; L880-N906 HydrophobicContact CB-CB 4.02Å; L880-N906 VanDerWaalsContact CB-OD1 3.28Å; L880-N906 WeakPolarHBondContact CB-OD1 3.44Å; L880-N906 VanDerWaalsContact CG-OD1 3.24Å; L880-N906 WeakPolarHBondContact CG-OD1 3.47Å; L880-N906 PolarHBondContact N-OD1 3Å; L903-N906 VanDerWaalsContact C-ND2 3.33Å; L903-N906 PolarHBondContact O-ND2 3.39Å; I904-N906 PolarHBondContact O-N 3.3Å; I904-N906 PolarHBondContact O-ND2 3.36Å; N906-N934 VanDerWaalsContact CA-OD1 3.24Å; N906-N934 WeakPolarHBondContact CA-OD1 3.48Å; N906-N934 WeakPolarHBondContact CB-OD1 3.46Å; N906-N934 PolarHBondContact N-OD1 3.11Å; N906-N934 PolarHBondContact O-OD1 3.14Å
907	Q	97.3	Very high	97.2	Very high	94 Å²	94	35.6 Å²	35.6	44%	0.439	18%	0.182	S	C	.	.			trans	-111.2	27.4	-177.7	-56.1	179.3	45.2	0	0	112.3	L880 N881 N934 L935	L880-Q907 CarbonylContact O-C 3.54Å; L880-Q907 VanDerWaalsContact O-C 3.26Å; L880-Q907 VanDerWaalsContact O-CA 3.26Å; L880-Q907 WeakPolarHBondContact O-CA 3.29Å; L880-Q907 WeakPolarHBondContact O-CB 3.25Å; L880-Q907 PolarHBondContact O-N 3.35Å; N881-Q907 HydrophobicContact CB-CB 4.4Å; Q907-N934 PolarHBondContact N-OD1 2.93Å; Q907-L935 HydrophobicContact CB-CD1 4.31Å
908	I	97.6	Very high	97.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.191	C	C	.	.			trans	-77.1	136.6	178.2	-62.1	171.1	0	0	0	109.1	L880 A885 L903 L931 N934 L935	L880-I908 PolarHBondContact O-N 2.85Å; A885-I908 HydrophobicContact CB-CG2 4.4Å; L903-I908 HydrophobicContact CB-CD1 4.21Å; L903-I908 HydrophobicContact CD1-CD1 3.88Å; L903-I908 HydrophobicContact CG-CD1 4.44Å; I908-L931 HydrophobicContact CB-CD2 4.2Å; I908-L931 HydrophobicContact CD1-CD2 3.67Å; I908-L931 HydrophobicContact CG2-CD2 4.08Å; I908-N934 HydrophobicContact CB-CB 4.41Å; I908-N934 WeakPolarHBondContact CB-OD1 3.42Å; I908-N934 PolarHBondContact N-OD1 2.59Å; I908-N934 WeakPolarHBondContact O-CB 3.44Å; I908-L935 CarbonylContact O-C 3.57Å; I908-L935 WeakPolarHBondContact O-CA 3.2Å; I908-L935 PolarHBondContact O-N 3.23Å
909	T	96.7	Very high	97	Very high	43 Å²	43	37.7 Å²	37.7	26%	0.264	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-104.8	178.8	175.4	80.1	0	0	0	0	110.8	D882 K911 G912 T913 L935	D882-T909 VanDerWaalsContact CG-OG1 3.31Å; D882-T909 PolarHBondContact OD1-N 3Å; D882-T909 PolarHBondContact OD1-OG1 3.48Å; D882-T909 PolarHBondContact OD2-OG1 3.38Å; T909-K911 PolarHBondContact O-N 3.12Å; T909-K911 VanDerWaalsContact O-N 3.09Å; T909-K911 PolarHBondContact OG1-N 2.87Å; T909-K911 VanDerWaalsContact OG1-N 3.15Å; T909-G912 PolarHBondContact O-N 2.94Å; T909-G912 VanDerWaalsContact O-N 3.12Å; T909-T913 PolarHBondContact O-N 3.18Å; T909-T913 PolarHBondContact O-OG1 3.2Å; T909-T913 VanDerWaalsContact O-OG1 3.09Å; T909-L935 WeakPolarHBondContact CA-O 3.22Å; T909-L935 HydrophobicContact CG2-CB 4.08Å
910	A	94.5	Very high	96.9	Very high	19 Å²	19	34.2 Å²	34.2	16%	0.157	18%	0.176	C	C	.	.	H	α-helix	trans	-53.1	-28.8	171.6	0	0	0	0	0	113.5	T913 A914 E940 Y944	A910-T913 PolarHBondContact O-N 3.33Å; A910-A914 WeakPolarHBondContact O-CB 3.31Å; A910-A914 PolarHBondContact O-N 3.45Å; A910-E940 HydrophobicContact CB-CB 3.85Å; A910-E940 HydrophobicContact CB-CG 4.03Å; A910-Y944 PolarHBondContact O-OH 2.9Å; A910-Y944 VanDerWaalsContact O-OH 3.13Å
911	K	95.5	Very high	96.7	Very high	138 Å²	138	39.4 Å²	39.4	60%	0.6	20%	0.201	S	C	*	.	H	α-helix	trans	-63.9	-50.4	176.1	-178.3	-171.2	173.1	-168.6	0	111.5	T909 T913 A914 Q915	T909-K911 PolarHBondContact O-N 3.12Å; T909-K911 VanDerWaalsContact O-N 3.09Å; T909-K911 PolarHBondContact OG1-N 2.87Å; T909-K911 VanDerWaalsContact OG1-N 3.15Å; K911-T913 VanDerWaalsContact C-N 3.34Å; K911-A914 WeakPolarHBondContact O-CB 3.01Å; K911-A914 PolarHBondContact O-N 3.34Å; K911-Q915 PolarHBondContact O-N 2.65Å
912	G	96.6	Very high	96.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.7	-37.5	176.6	0	0	0	0	0	112.2	D882 T909 A914 Q915 L916	D882-G912 VanDerWaalsContact OD1-CA 3.31Å; D882-G912 WeakPolarHBondContact OD1-CA 3.28Å; D882-G912 PolarHBondContact OD1-N 2.73Å; T909-G912 PolarHBondContact O-N 2.94Å; T909-G912 VanDerWaalsContact O-N 3.12Å; G912-A914 VanDerWaalsContact C-N 3.32Å; G912-A914 PolarHBondContact O-N 3.24Å; G912-Q915 WeakPolarHBondContact O-CB 3.38Å; G912-Q915 PolarHBondContact O-N 2.8Å; G912-L916 PolarHBondContact O-N 2.96Å; G912-L916 VanDerWaalsContact O-N 3.1Å
913	T	96.4	Very high	96.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60	-41.3	173.7	-51.8	0	0	0	0	112.1	T909 A910 K911 Q915 L916 A917 L931 I936 Y944 I950	T909-T913 PolarHBondContact O-N 3.18Å; T909-T913 PolarHBondContact O-OG1 3.2Å; T909-T913 VanDerWaalsContact O-OG1 3.09Å; A910-T913 PolarHBondContact O-N 3.33Å; K911-T913 VanDerWaalsContact C-N 3.34Å; T913-Q915 VanDerWaalsContact C-N 3.32Å; T913-Q915 PolarHBondContact O-N 3.06Å; T913-L916 PolarHBondContact O-N 3.34Å; T913-A917 WeakPolarHBondContact O-CB 3.28Å; T913-A917 PolarHBondContact O-N 3.48Å; T913-L931 HydrophobicContact CG2-CD1 3.77Å; T913-I936 WeakPolarHBondContact OG1-CD1 3.47Å; T913-Y944 HydrophobicContact CG2-CD1 4.23Å; T913-Y944 HydrophobicContact CG2-CD2 3.76Å; T913-Y944 HydrophobicContact CG2-CE1 3.98Å; T913-Y944 HydrophobicContact CG2-CE2 3.48Å; T913-Y944 VanDerWaalsContact CG2-CE2 3.48Å; T913-Y944 HydrophobicContact CG2-CG 4.12Å; T913-I950 HydrophobicContact CG2-CD1 4.4Å; T913-I950 HydrophobicContact CG2-CG2 4.13Å
914	A	96	Very high	96.2	Very high	44 Å²	44	46.4 Å²	46.4	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-61.3	-39.3	176.1	0	0	0	0	0	112.4	A910 K911 G912 A917 D918 Y944	A910-A914 WeakPolarHBondContact O-CB 3.31Å; A910-A914 PolarHBondContact O-N 3.45Å; K911-A914 WeakPolarHBondContact O-CB 3.01Å; K911-A914 PolarHBondContact O-N 3.34Å; G912-A914 VanDerWaalsContact C-N 3.32Å; G912-A914 PolarHBondContact O-N 3.24Å; A914-A917 PolarHBondContact O-N 3.3Å; A914-D918 WeakPolarHBondContact O-CB 3.38Å; A914-D918 PolarHBondContact O-N 3.31Å; A914-Y944 WeakPolarHBondContact CA-OH 3.04Å; A914-Y944 WeakPolarHBondContact CB-OH 3.4Å; A914-Y944 PolarHBondContact N-OH 3.15Å
915	Q	96.3	Very high	96.1	Very high	43 Å²	43	45.4 Å²	45.4	20%	0.201	25%	0.25	C	C	.	.	H	α-helix	trans	-65	-41.9	176.6	-66.5	173.6	-40.3	0	0	111.8	D882 E886 A889 K911 G912 T913 D918 A919	D882-Q915 PolarHBondContact O-OE1 3.31Å; E886-Q915 PolarHBondContact OE2-NE2 2.97Å; A889-Q915 HydrophobicContact CB-CB 4.17Å; A889-Q915 VanDerWaalsContact CB-O 3.29Å; A889-Q915 WeakPolarHBondContact CB-O 3.32Å; K911-Q915 PolarHBondContact O-N 2.65Å; G912-Q915 WeakPolarHBondContact O-CB 3.38Å; G912-Q915 PolarHBondContact O-N 2.8Å; T913-Q915 VanDerWaalsContact C-N 3.32Å; T913-Q915 PolarHBondContact O-N 3.06Å; Q915-D918 PolarHBondContact O-N 3.45Å; Q915-A919 PolarHBondContact O-N 2.86Å; Q915-A919 VanDerWaalsContact O-N 3.17Å
916	L	97.2	Very high	96.1	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-44.2	175.4	-66.2	171.5	0	0	0	111.3	A885 L888 A889 L892 L903 G912 T913 D918 A919 L920 I929 L931	A885-L916 HydrophobicContact CB-CD1 4.37Å; A885-L916 HydrophobicContact CB-CG 4.31Å; L888-L916 HydrophobicContact CB-CD2 3.83Å; A889-L916 HydrophobicContact CB-CD2 4.46Å; L892-L916 HydrophobicContact CD1-CD2 4.07Å; L903-L916 HydrophobicContact CD1-CD1 4Å; G912-L916 PolarHBondContact O-N 2.96Å; G912-L916 VanDerWaalsContact O-N 3.1Å; T913-L916 PolarHBondContact O-N 3.34Å; L916-D918 VanDerWaalsContact C-N 3.35Å; L916-D918 PolarHBondContact O-N 3.19Å; L916-A919 PolarHBondContact O-N 2.63Å; L916-L920 WeakPolarHBondContact O-CG 3.49Å; L916-L920 PolarHBondContact O-N 2.8Å; L916-L920 VanDerWaalsContact O-N 3.08Å; L916-I929 HydrophobicContact CD1-CG2 4.46Å; L916-L931 HydrophobicContact CD1-CD1 4.21Å; L916-L931 HydrophobicContact CD1-CD2 4.39Å
917	A	95.7	Very high	96.1	Very high	17 Å²	17	44.1 Å²	44.1	14%	0.14	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-40.8	177.4	0	0	0	0	0	112.5	T913 A914 L920 Y944 I950	T913-A917 WeakPolarHBondContact O-CB 3.28Å; T913-A917 PolarHBondContact O-N 3.48Å; A914-A917 PolarHBondContact O-N 3.3Å; A917-L920 WeakPolarHBondContact O-CB 3.25Å; A917-L920 PolarHBondContact O-N 3.11Å; A917-Y944 HydrophobicContact CB-CD1 4.04Å; A917-Y944 HydrophobicContact CB-CE1 3.86Å; A917-I950 HydrophobicContact CB-CD1 3.63Å
918	D	95.7	Very high	96.1	Very high	82 Å²	82	41.8 Å²	41.8	44%	0.439	24%	0.238	S	C	.	.	H	α-helix	trans	-60.7	-48.4	175.1	-178.4	69.5	0	0	0	111.6	A914 Q915 L916 L920 Q921	A914-D918 WeakPolarHBondContact O-CB 3.38Å; A914-D918 PolarHBondContact O-N 3.31Å; Q915-D918 PolarHBondContact O-N 3.45Å; L916-D918 VanDerWaalsContact C-N 3.35Å; L916-D918 PolarHBondContact O-N 3.19Å; D918-L920 VanDerWaalsContact C-N 3.27Å; D918-L920 PolarHBondContact O-N 2.77Å; D918-Q921 WeakPolarHBondContact O-CB 3.24Å; D918-Q921 WeakPolarHBondContact O-CG 3.46Å; D918-Q921 PolarHBondContact O-N 3.49Å; D918-Q921 VanDerWaalsContact O-N 3.11Å
919	A	96.7	Very high	96.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-35.4	177.8	0	0	0	0	0	113.1	A889 L892 K893 Q915 L916 Q921 S922 N923	A889-A919 HydrophobicContact CB-CB 3.81Å; A889-A919 VanDerWaalsContact O-CB 3.23Å; A889-A919 WeakPolarHBondContact O-CB 3.37Å; L892-A919 HydrophobicContact CB-CB 4.02Å; K893-A919 HydrophobicContact CG-CB 4.01Å; Q915-A919 PolarHBondContact O-N 2.86Å; Q915-A919 VanDerWaalsContact O-N 3.17Å; L916-A919 PolarHBondContact O-N 2.63Å; A919-Q921 PolarHBondContact O-N 3.27Å; A919-S922 PolarHBondContact O-N 3.28Å; A919-S922 PolarHBondContact O-OG 2.71Å; A919-N923 PolarHBondContact O-N 3.32Å; A919-N923 VanDerWaalsContact O-N 3.13Å
920	L	96.6	Very high	96.2	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-17.6	177.3	-75.7	-179.2	0	0	0	114	L892 L916 A917 D918 S922 N923 I926 I929 E947 R949 I950	L892-L920 HydrophobicContact CD1-CD2 4.45Å; L916-L920 WeakPolarHBondContact O-CG 3.49Å; L916-L920 PolarHBondContact O-N 2.8Å; L916-L920 VanDerWaalsContact O-N 3.08Å; A917-L920 WeakPolarHBondContact O-CB 3.25Å; A917-L920 PolarHBondContact O-N 3.11Å; D918-L920 VanDerWaalsContact C-N 3.27Å; D918-L920 PolarHBondContact O-N 2.77Å; L920-S922 PolarHBondContact O-N 3.47Å; L920-N923 HydrophobicContact CD2-CB 4.26Å; L920-N923 VanDerWaalsContact O-O 3.14Å; L920-I926 HydrophobicContact CD2-CB 3.76Å; L920-I926 HydrophobicContact CD2-CG1 4.2Å; L920-I926 HydrophobicContact CD2-CG2 3.76Å; L920-I929 HydrophobicContact CD1-CD1 4.05Å; L920-I929 HydrophobicContact CD2-CD1 4.14Å; L920-I929 HydrophobicContact CG-CD1 4.26Å; L920-E947 HydrophobicContact CD1-CG 4.39Å; L920-R949 HydrophobicContact CD1-CB 4.15Å; L920-R949 VanDerWaalsContact O-CZ 3.32Å; L920-R949 PolarHBondContact O-NH1 3.19Å; L920-R949 PolarHBondContact O-NH2 3.4Å; L920-I950 HydrophobicContact CD1-CD1 3.89Å; L920-I950 HydrophobicContact CD1-CG1 3.68Å
921	Q	94.1	Very high	96.3	Very high	160 Å²	160	39 Å²	39	75%	0.748	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-29.7	171.6	-61.5	-176	-2.8	0	0	112.4	D918 A919	D918-Q921 WeakPolarHBondContact O-CB 3.24Å; D918-Q921 WeakPolarHBondContact O-CG 3.46Å; D918-Q921 PolarHBondContact O-N 3.49Å; D918-Q921 VanDerWaalsContact O-N 3.11Å; A919-Q921 PolarHBondContact O-N 3.27Å
922	S	93.8	Very high	96.3	Very high	64 Å²	64	34.4 Å²	34.4	45%	0.448	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-16.8	179.1	67.3	0	0	0	0	113.8	A919 L920	A919-S922 PolarHBondContact O-N 3.28Å; A919-S922 PolarHBondContact O-OG 2.71Å; L920-S922 PolarHBondContact O-N 3.47Å
923	N	96.5	Very high	96.2	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	22%	0.224	C	C	.	.			trans	-89.4	128.7	178.6	-172.1	-65.7	0	0	0	111.3	L892 N895 A919 L920 G925 I926 R949	L892-N923 WeakPolarHBondContact O-CB 3.37Å; L892-N923 PolarHBondContact O-ND2 3.45Å; N895-N923 PolarHBondContact O-ND2 3.15Å; A919-N923 PolarHBondContact O-N 3.32Å; A919-N923 VanDerWaalsContact O-N 3.13Å; L920-N923 HydrophobicContact CD2-CB 4.26Å; L920-N923 VanDerWaalsContact O-O 3.14Å; N923-G925 PolarHBondContact OD1-N 3.27Å; N923-I926 WeakPolarHBondContact OD1-CG1 3.44Å; N923-I926 PolarHBondContact OD1-N 3.27Å; N923-R949 PolarHBondContact O-NH1 2.9Å
924	T	94.6	Very high	96.2	Very high	126 Å²	126	37.5 Å²	37.5	77%	0.773	23%	0.229	S	C	*	.			trans	-113.5	-6.5	177	59.9	0	0	0	0	113.7	Q896	Q896-T924 PolarHBondContact OE1-OG1 3.3Å; Q896-T924 VanDerWaalsContact OE1-OG1 3.06Å
925	G	95.4	Very high	96.1	Very high	15 Å²	15	40.6 Å²	40.6	16%	0.155	24%	0.238	C	C	.	.	S	Bend	trans	-84.1	-35.6	-179	0	0	0	0	0	114.2	Q896 L898 N923 T927	Q896-G925 WeakPolarHBondContact O-CA 3.28Å; L898-G925 CarbonylContact O-C 3.47Å; N923-G925 PolarHBondContact OD1-N 3.27Å; G925-T927 PolarHBondContact O-N 3.2Å
926	I	97.9	Very high	96	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.026	24%	0.235	C	C	.	.			trans	-69.7	126	-178.8	-67.6	-74.9	0	0	0	110.4	L892 L898 L920 N923 I929 R949	L892-I926 HydrophobicContact CD2-CD1 3.62Å; L892-I926 HydrophobicContact CD2-CG1 3.53Å; L898-I926 HydrophobicContact CB-CD1 4.09Å; L898-I926 HydrophobicContact CD2-CD1 4.06Å; L898-I926 HydrophobicContact CG-CD1 3.95Å; L898-I926 WeakPolarHBondContact O-CD1 3.47Å; L898-I926 PolarHBondContact O-N 2.95Å; L920-I926 HydrophobicContact CD2-CB 3.76Å; L920-I926 HydrophobicContact CD2-CG1 4.2Å; L920-I926 HydrophobicContact CD2-CG2 3.76Å; N923-I926 WeakPolarHBondContact OD1-CG1 3.44Å; N923-I926 PolarHBondContact OD1-N 3.27Å; I926-I929 HydrophobicContact CG2-CD1 4.19Å; I926-I929 HydrophobicContact CG2-CG1 3.65Å; I926-R949 WeakPolarHBondContact O-CD 3.47Å
927	T	97.5	Very high	95.7	Very high	74 Å²	74	46.2 Å²	46.2	45%	0.454	26%	0.263	S	S	.	.			trans	-94.3	-36.1	171.1	53.1	0	0	0	0	111.3	K899 H900 G925	K899-T927 HydrophobicContact CB-CG2 4.42Å; K899-T927 PolarHBondContact O-N 3.36Å; K899-T927 PolarHBondContact O-OG1 3.35Å; H900-T927 PolarHBondContact CE1-OG1 3.47Å; H900-T927 PolarHBondContact ND1-OG1 2.95Å; H900-T927 PolarHBondContact NE2-OG1 3.07Å; G925-T927 PolarHBondContact O-N 3.2Å
928	E	97.6	Very high	95.4	Very high	45 Å²	45	50.3 Å²	50.3	21%	0.21	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	130.8	-173.4	-167.3	179.5	173.2	0	0	112.9	K899 H900 L901 W902 R949 I951	K899-E928 PolarHBondContact O-N 3.49Å; K899-E928 VanDerWaalsContact O-N 3.13Å; H900-E928 WeakPolarHBondContact CA-O 3.29Å; H900-E928 IonicContact CE1-OE2 3.23Å; H900-E928 IonicContact ND1-OE2 2.56Å; H900-E928 PolarHBondContact ND1-OE2 2.86Å; L901-E928 PolarHBondContact N-O 2.74Å; W902-E928 WeakPolarHBondContact CH2-OE1 3.32Å; E928-R949 CarbonylContact C-O 3.58Å; E928-R949 WeakPolarHBondContact CA-O 3.43Å; E928-I951 HydrophobicContact CG-CD1 3.84Å; E928-I951 HydrophobicContact CG-CG1 4.26Å; E928-I951 WeakPolarHBondContact OE1-CD1 3.25Å
929	I	98.1	Very high	95.1	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	116	164.4	-51.7	-173.1	0	0	0	107.7	L892 L901 L903 L916 L920 I926 L931 R949 I951	L892-I929 HydrophobicContact CD1-CD1 3.64Å; L901-I929 HydrophobicContact CB-CG1 4.34Å; L901-I929 WeakPolarHBondContact O-CA 3.25Å; L903-I929 HydrophobicContact CD1-CG2 3.95Å; L916-I929 HydrophobicContact CD1-CG2 4.46Å; L920-I929 HydrophobicContact CD1-CD1 4.05Å; L920-I929 HydrophobicContact CD2-CD1 4.14Å; L920-I929 HydrophobicContact CG-CD1 4.26Å; I926-I929 HydrophobicContact CG2-CD1 4.19Å; I926-I929 HydrophobicContact CG2-CG1 3.65Å; I929-L931 HydrophobicContact CG2-CD1 4.47Å; I929-L931 HydrophobicContact CG2-CG 4.3Å; I929-R949 PolarHBondContact N-O 2.73Å; I929-I951 PolarHBondContact O-N 3.15Å
930	C	97.4	Very high	94.9	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.02	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.1	-179.8	-165.4	0	0	0	0	110.9	L901 W902 L903 I904 N932	L901-C930 PolarHBondContact O-N 3.35Å; W902-C930 HydrophobicContact CD2-CB 4.34Å; W902-C930 HydrophobicContact CE3-CB 3.34Å; W902-C930 HydrophobicContact CZ3-CB 3.5Å; L903-C930 CarbonylContact C-O 3.26Å; L903-C930 VanDerWaalsContact C-O 3.32Å; L903-C930 WeakPolarHBondContact CA-O 3.46Å; L903-C930 PolarHBondContact N-O 3.11Å; I904-C930 HydrophobicContact CD1-CB 4.26Å; I904-C930 HydrophobicContact CG1-CB 3.97Å; I904-C930 WeakPolarHBondContact CG1-SG 3.39Å; I904-C930 PolarHBondContact N-O 3.27Å; C930-N932 PolarHBondContact SG-ND2 3.25Å
931	L	97.1	Very high	94.5	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	32%	0.323	C	S	.	.			trans	-116.4	12.7	-176.4	-74.9	161.7	0	0	0	112.5	L903 I908 T913 L916 I929 G933 N934 I936 I950 I951	L903-L931 HydrophobicContact CB-CD2 3.78Å; L903-L931 HydrophobicContact CD1-CD2 3.92Å; I908-L931 HydrophobicContact CB-CD2 4.2Å; I908-L931 HydrophobicContact CD1-CD2 3.67Å; I908-L931 HydrophobicContact CG2-CD2 4.08Å; T913-L931 HydrophobicContact CG2-CD1 3.77Å; L916-L931 HydrophobicContact CD1-CD1 4.21Å; L916-L931 HydrophobicContact CD1-CD2 4.39Å; I929-L931 HydrophobicContact CG2-CD1 4.47Å; I929-L931 HydrophobicContact CG2-CG 4.3Å; L931-G933 PolarHBondContact O-N 3.18Å; L931-N934 VanDerWaalsContact O-CB 3.25Å; L931-N934 WeakPolarHBondContact O-CB 3.45Å; L931-N934 PolarHBondContact O-N 3.48Å; L931-N934 PolarHBondContact O-ND2 2.89Å; L931-I936 HydrophobicContact CB-CD1 4Å; L931-I936 HydrophobicContact CD1-CD1 4.39Å; L931-I950 HydrophobicContact CD1-CG2 4.15Å; L931-I951 PolarHBondContact N-O 2.89Å
932	N	94.9	Very high	94.2	Very high	41 Å²	41	56.8 Å²	56.8	22%	0.219	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	139.9	-179.4	-63.8	-10.3	0	0	0	112.7	I904 Q905 C930 N934 I951 C952 F953	I904-N932 CarbonylContact C-O 3.53Å; I904-N932 VanDerWaalsContact CA-O 3.25Å; I904-N932 WeakPolarHBondContact CA-O 3.41Å; I904-N932 HydrophobicContact CG1-CB 4.37Å; I904-N932 HydrophobicContact CG2-CB 4.46Å; I904-N932 WeakPolarHBondContact CG2-O 3.36Å; Q905-N932 PolarHBondContact N-O 3.41Å; C930-N932 PolarHBondContact SG-ND2 3.25Å; N932-N934 VanDerWaalsContact C-N 3.26Å; N932-N934 PolarHBondContact O-N 3.01Å; N932-I951 PolarHBondContact OD1-O 3.17Å; N932-C952 WeakPolarHBondContact OD1-CA 3.49Å; N932-F953 WeakPolarHBondContact OD1-CD2 3.43Å; N932-F953 PolarHBondContact OD1-N 3.31Å
933	G	94.1	Very high	94	Very high	48 Å²	48	58.9 Å²	58.9	50%	0.495	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	17.6	179.9	0	0	0	0	0	115.5	Q905 L931 F953	Q905-G933 WeakPolarHBondContact CA-O 3.3Å; L931-G933 PolarHBondContact O-N 3.18Å; G933-F953 PolarHBondContact N-O 3.09Å
934	N	97.1	Very high	93.6	Very high	18 Å²	18	60.3 Å²	60.3	10%	0.096	33%	0.332	C	S	.	.	S	Bend	trans	-83.8	-178.3	165.8	-82.3	-90.3	0	0	0	111.5	L903 N906 Q907 I908 L931 N932 I936	L903-N934 PolarHBondContact O-ND2 3.36Å; N906-N934 VanDerWaalsContact CA-OD1 3.24Å; N906-N934 WeakPolarHBondContact CA-OD1 3.48Å; N906-N934 WeakPolarHBondContact CB-OD1 3.46Å; N906-N934 PolarHBondContact N-OD1 3.11Å; N906-N934 PolarHBondContact O-OD1 3.14Å; Q907-N934 PolarHBondContact N-OD1 2.93Å; I908-N934 HydrophobicContact CB-CB 4.41Å; I908-N934 WeakPolarHBondContact CB-OD1 3.42Å; I908-N934 PolarHBondContact N-OD1 2.59Å; I908-N934 WeakPolarHBondContact O-CB 3.44Å; L931-N934 VanDerWaalsContact O-CB 3.25Å; L931-N934 WeakPolarHBondContact O-CB 3.45Å; L931-N934 PolarHBondContact O-N 3.48Å; L931-N934 PolarHBondContact O-ND2 2.89Å; N932-N934 VanDerWaalsContact C-N 3.26Å; N932-N934 PolarHBondContact O-N 3.01Å; N934-I936 HydrophobicContact CB-CD1 4.19Å; N934-I936 HydrophobicContact CB-CG1 4.27Å; N934-I936 PolarHBondContact O-N 2.83Å
935	L	94.8	Very high	93.1	Very high	108 Å²	108	61.4 Å²	61.4	57%	0.565	33%	0.329	S	S	*	.	B	Isolated β-bridge	trans	-83.6	49.8	-179	-59	178.6	0	0	0	112.2	Q907 I908 T909	Q907-L935 HydrophobicContact CB-CD1 4.31Å; I908-L935 CarbonylContact O-C 3.57Å; I908-L935 WeakPolarHBondContact O-CA 3.2Å; I908-L935 PolarHBondContact O-N 3.23Å; T909-L935 WeakPolarHBondContact CA-O 3.22Å; T909-L935 HydrophobicContact CG2-CB 4.08Å
936	I	93.3	Very high	92.8	Very high	27 Å²	27	68.3 Å²	68.3	14%	0.138	36%	0.362	C	S	.	.			trans	-110.5	121.3	-179.6	-54.1	166.4	0	0	0	107.7	T913 L931 N934 E940 A941 C952	T913-I936 WeakPolarHBondContact OG1-CD1 3.47Å; L931-I936 HydrophobicContact CB-CD1 4Å; L931-I936 HydrophobicContact CD1-CD1 4.39Å; N934-I936 HydrophobicContact CB-CD1 4.19Å; N934-I936 HydrophobicContact CB-CG1 4.27Å; N934-I936 PolarHBondContact O-N 2.83Å; I936-E940 HydrophobicContact CG2-CB 4.04Å; I936-A941 HydrophobicContact CG2-CB 4.11Å; I936-C952 HydrophobicContact CD1-CB 4.3Å
937	K	91.2	Very high	92.5	Very high	135 Å²	135	70.3 Å²	70.3	59%	0.587	37%	0.371	S	S	*	.			trans	-70.7	151.7	177.3	-62.8	177.8	-169.4	155.7	0	110.3	E939 E940 A941	K937-E939 PolarHBondContact O-N 3.27Å; K937-E939 VanDerWaalsContact O-N 3.11Å; K937-E940 HydrophobicContact CB-CB 4.41Å; K937-E940 HydrophobicContact CB-CG 4.09Å; K937-E940 WeakPolarHBondContact CD-OE1 3.42Å; K937-E940 PolarHBondContact N-OE2 3.45Å; K937-E940 IonicContact NZ-OE1 3.74Å; K937-E940 WeakPolarHBondContact O-CB 3.39Å; K937-E940 PolarHBondContact O-N 3.36Å; K937-A941 PolarHBondContact O-N 2.97Å
938	P	88.4	Confident	92.2	Very high	102 Å²	102	75.7 Å²	75.7	66%	0.662	39%	0.388	S	S	*	.	H	α-helix	trans	-55.1	-33.1	176.6	-27.2	34.8	0	0	0	114	K942	P938-K942 PolarHBondContact O-N 2.86Å
939	E	91	Very high	92.1	Very high	161 Å²	161	76.2 Å²	76.2	75%	0.752	39%	0.388	S	S	*	.	H	α-helix	trans	-71.1	-35.9	177	-58.5	-174.4	-158.1	0	0	112.7	K937	K937-E939 PolarHBondContact O-N 3.27Å; K937-E939 VanDerWaalsContact O-N 3.11Å
940	E	90.8	Very high	92	Very high	57 Å²	57	76.7 Å²	76.7	27%	0.266	39%	0.391	S	S	.	.	H	α-helix	trans	-72.6	-35.9	176.1	-64.7	161.5	-177.5	0	0	110.5	A910 I936 K937 K942 V943	A910-E940 HydrophobicContact CB-CB 3.85Å; A910-E940 HydrophobicContact CB-CG 4.03Å; I936-E940 HydrophobicContact CG2-CB 4.04Å; K937-E940 HydrophobicContact CB-CB 4.41Å; K937-E940 HydrophobicContact CB-CG 4.09Å; K937-E940 WeakPolarHBondContact CD-OE1 3.42Å; K937-E940 PolarHBondContact N-OE2 3.45Å; K937-E940 IonicContact NZ-OE1 3.74Å; K937-E940 WeakPolarHBondContact O-CB 3.39Å; K937-E940 PolarHBondContact O-N 3.36Å; E940-K942 VanDerWaalsContact C-N 3.29Å; E940-K942 PolarHBondContact O-N 3.48Å; E940-V943 WeakPolarHBondContact O-CB 3.37Å; E940-V943 WeakPolarHBondContact O-CG2 3.21Å; E940-V943 PolarHBondContact O-N 3.28Å
941	A	88.4	Confident	91.8	Very high	19 Å²	19	78.6 Å²	78.6	16%	0.157	40%	0.4	C	S	.	.	H	α-helix	trans	-61.9	-34.4	177.6	0	0	0	0	0	112.8	I936 K937 V943 Y944 C952	I936-A941 HydrophobicContact CG2-CB 4.11Å; K937-A941 PolarHBondContact O-N 2.97Å; A941-V943 PolarHBondContact O-N 2.99Å; A941-V943 VanDerWaalsContact O-N 3.17Å; A941-Y944 PolarHBondContact O-N 2.87Å; A941-C952 HydrophobicContact CB-CB 4.04Å
942	K	88.5	Confident	91.4	Very high	143 Å²	143	79.6 Å²	79.6	62%	0.622	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-58.1	-27.6	176.9	-72.9	179.9	-179.6	-178.3	0	113.7	P938 E940 Y944 E945	P938-K942 PolarHBondContact O-N 2.86Å; E940-K942 VanDerWaalsContact C-N 3.29Å; E940-K942 PolarHBondContact O-N 3.48Å; K942-Y944 PolarHBondContact O-N 2.91Å; K942-E945 WeakPolarHBondContact O-CB 3.36Å; K942-E945 PolarHBondContact O-N 3.21Å
943	V	89.3	Confident	90.5	Very high	108 Å²	108	87.8 Å²	87.8	66%	0.655	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-61.6	-25.4	178.4	-178.4	0	0	0	0	111.5	E940 A941	E940-V943 WeakPolarHBondContact O-CB 3.37Å; E940-V943 WeakPolarHBondContact O-CG2 3.21Å; E940-V943 PolarHBondContact O-N 3.28Å; A941-V943 PolarHBondContact O-N 2.99Å; A941-V943 VanDerWaalsContact O-N 3.17Å
944	Y	87.8	Confident	90.3	Very high	30 Å²	30	89.8 Å²	89.8	12%	0.118	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-103.3	8.5	-177.2	-50.3	-73.6	0	0	0	113.3	A910 T913 A914 A917 A941 K942 D946 E947 I950	A910-Y944 PolarHBondContact O-OH 2.9Å; A910-Y944 VanDerWaalsContact O-OH 3.13Å; T913-Y944 HydrophobicContact CG2-CD1 4.23Å; T913-Y944 HydrophobicContact CG2-CD2 3.76Å; T913-Y944 HydrophobicContact CG2-CE1 3.98Å; T913-Y944 HydrophobicContact CG2-CE2 3.48Å; T913-Y944 VanDerWaalsContact CG2-CE2 3.48Å; T913-Y944 HydrophobicContact CG2-CG 4.12Å; A914-Y944 WeakPolarHBondContact CA-OH 3.04Å; A914-Y944 WeakPolarHBondContact CB-OH 3.4Å; A914-Y944 PolarHBondContact N-OH 3.15Å; A917-Y944 HydrophobicContact CB-CD1 4.04Å; A917-Y944 HydrophobicContact CB-CE1 3.86Å; A941-Y944 PolarHBondContact O-N 2.87Å; K942-Y944 PolarHBondContact O-N 2.91Å; Y944-D946 PolarHBondContact O-N 3.47Å; Y944-E947 CarbonylContact O-C 3.6Å; Y944-E947 PolarHBondContact O-N 3.13Å; Y944-I950 HydrophobicContact CD1-CD1 4.5Å
945	E	84.5	Confident	89.9	Confident	150 Å²	150	93.5 Å²	93.5	70%	0.701	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-31.6	-177.9	-169.1	171	-170.7	0	0	112.7	K942	K942-E945 WeakPolarHBondContact O-CB 3.36Å; K942-E945 PolarHBondContact O-N 3.21Å
946	D	88.4	Confident	89.7	Confident	159 Å²	159	92.7 Å²	92.7	85%	0.85	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-24.6	175.3	-70	-35.8	0	0	0	113.3	Y944 K948	Y944-D946 PolarHBondContact O-N 3.47Å; D946-K948 PolarHBondContact O-N 2.92Å; D946-K948 VanDerWaalsContact O-N 3.15Å
947	E	92.3	Very high	89.5	Confident	47 Å²	47	96.6 Å²	96.6	22%	0.22	47%	0.469	C	S	.	.			trans	-87.5	80.9	177.1	-179.3	50.1	-93.5	0	0	110	L920 Y944 R949 I950	L920-E947 HydrophobicContact CD1-CG 4.39Å; Y944-E947 CarbonylContact O-C 3.6Å; Y944-E947 PolarHBondContact O-N 3.13Å; E947-R949 PolarHBondContact O-N 3.13Å; E947-R949 WeakPolarHBondContact OE1-CB 3.19Å; E947-R949 WeakPolarHBondContact OE1-CG 3.44Å; E947-R949 IonicContact OE1-CZ 3.57Å; E947-R949 PolarHBondContact OE1-N 3.25Å; E947-R949 IonicContact OE1-NE 2.79Å; E947-R949 PolarHBondContact OE1-NE 2.72Å; E947-R949 IonicContact OE1-NH2 3.49Å; E947-R949 PolarHBondContact OE1-NH2 2.97Å; E947-R949 IonicContact OE2-CZ 3.57Å; E947-R949 IonicContact OE2-NE 3.6Å; E947-R949 IonicContact OE2-NH2 2.74Å; E947-R949 PolarHBondContact OE2-NH2 3.29Å; E947-I950 HydrophobicContact CG-CB 4.31Å; E947-I950 HydrophobicContact CG-CD1 4.09Å; E947-I950 HydrophobicContact CG-CG1 4.08Å; E947-I950 PolarHBondContact O-N 3.36Å
948	K	92	Very high	89.3	Confident	187 Å²	187	94.2 Å²	94.2	81%	0.813	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-17.6	-174.1	-62.6	-178.4	-178.9	178.2	0	115	D946 I950	D946-K948 PolarHBondContact O-N 2.92Å; D946-K948 VanDerWaalsContact O-N 3.15Å; K948-I950 VanDerWaalsContact C-N 3.34Å
949	R	95.8	Very high	89.4	Confident	56 Å²	56	93.7 Å²	93.7	21%	0.211	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-21.2	176.6	-63	173.5	-71.8	176.9	-0.9	112.2	L920 N923 I926 E928 I929 E947	L920-R949 HydrophobicContact CD1-CB 4.15Å; L920-R949 VanDerWaalsContact O-CZ 3.32Å; L920-R949 PolarHBondContact O-NH1 3.19Å; L920-R949 PolarHBondContact O-NH2 3.4Å; N923-R949 PolarHBondContact O-NH1 2.9Å; I926-R949 WeakPolarHBondContact O-CD 3.47Å; E928-R949 CarbonylContact C-O 3.58Å; E928-R949 WeakPolarHBondContact CA-O 3.43Å; I929-R949 PolarHBondContact N-O 2.73Å; E947-R949 PolarHBondContact O-N 3.13Å; E947-R949 WeakPolarHBondContact OE1-CB 3.19Å; E947-R949 WeakPolarHBondContact OE1-CG 3.44Å; E947-R949 IonicContact OE1-CZ 3.57Å; E947-R949 PolarHBondContact OE1-N 3.25Å; E947-R949 IonicContact OE1-NE 2.79Å; E947-R949 PolarHBondContact OE1-NE 2.72Å; E947-R949 IonicContact OE1-NH2 3.49Å; E947-R949 PolarHBondContact OE1-NH2 2.97Å; E947-R949 IonicContact OE2-CZ 3.57Å; E947-R949 IonicContact OE2-NE 3.6Å; E947-R949 IonicContact OE2-NH2 2.74Å; E947-R949 PolarHBondContact OE2-NH2 3.29Å
950	I	95.7	Very high	89.3	Confident	10 Å²	10	88.9 Å²	88.9	5%	0.051	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124	176.4	-70	177.9	0	0	0	109.1	T913 A917 L920 L931 Y944 E947 K948 C952	T913-I950 HydrophobicContact CG2-CD1 4.4Å; T913-I950 HydrophobicContact CG2-CG2 4.13Å; A917-I950 HydrophobicContact CB-CD1 3.63Å; L920-I950 HydrophobicContact CD1-CD1 3.89Å; L920-I950 HydrophobicContact CD1-CG1 3.68Å; L931-I950 HydrophobicContact CD1-CG2 4.15Å; Y944-I950 HydrophobicContact CD1-CD1 4.5Å; E947-I950 HydrophobicContact CG-CB 4.31Å; E947-I950 HydrophobicContact CG-CD1 4.09Å; E947-I950 HydrophobicContact CG-CG1 4.08Å; E947-I950 PolarHBondContact O-N 3.36Å; K948-I950 VanDerWaalsContact C-N 3.34Å; I950-C952 VanDerWaalsContact CG2-SG 3.53Å
951	I	93.2	Very high	89.2	Confident	43 Å²	43	91.3 Å²	91.3	22%	0.221	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	115.6	176.5	-54.4	-170.7	0	0	0	109.4	E928 I929 L931 N932 F953	E928-I951 HydrophobicContact CG-CD1 3.84Å; E928-I951 HydrophobicContact CG-CG1 4.26Å; E928-I951 WeakPolarHBondContact OE1-CD1 3.25Å; I929-I951 PolarHBondContact O-N 3.15Å; L931-I951 PolarHBondContact N-O 2.89Å; N932-I951 PolarHBondContact OD1-O 3.17Å; I951-F953 HydrophobicContact CG2-CD2 3.59Å; I951-F953 HydrophobicContact CG2-CE2 3.31Å; I951-F953 HydrophobicContact CG2-CZ 4.27Å
952	C	87.8	Confident	89.3	Confident	22 Å²	22	97.3 Å²	97.3	15%	0.149	46%	0.462	C	S	.	.			trans	-130.4	111.4	176.2	-58.1	0	0	0	0	109.8	N932 I936 A941 I950	N932-C952 WeakPolarHBondContact OD1-CA 3.49Å; I936-C952 HydrophobicContact CD1-CB 4.3Å; A941-C952 HydrophobicContact CB-CB 4.04Å; I950-C952 VanDerWaalsContact CG2-SG 3.53Å
953	F	75.8	Confident	89.3	Confident	213 Å²	213	93.2 Å²	93.2	93%	0.934	45%	0.447	S	S	*	.			trans	-125	0	171.7	-61.8	-66.5	0	0	0	111.9	N932 G933 I951	N932-F953 WeakPolarHBondContact OD1-CD2 3.43Å; N932-F953 PolarHBondContact OD1-N 3.31Å; G933-F953 PolarHBondContact N-O 3.09Å; I951-F953 HydrophobicContact CG2-CD2 3.59Å; I951-F953 HydrophobicContact CG2-CE2 3.31Å; I951-F953 HydrophobicContact CG2-CZ 4.27Å

Retrieved 953 of 953 residues in 699.2 ms (Link to these results)

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