A0A096N7D1_PAPAN Loading...

RPA1 related single stranded DNA binding protein, X-linked

AlphaFold DB , UniProt , Accession A0A096N7D1, Species PAPAN (Papio anubis, Olive baboon), Gene RADX, Length 855 aa.

						>A0A096N7D1_PAPAN|A0A096N7D1|RADX
MSGESGQPEAGPSHAGLDWPNPERNRAGVPGGVIRRAGAQGPRSWIQKVLEQIMDSPRQCVTPSEVVPVTVLAVQRYLLEDEPRDTVPKPPLYCYDVTISDGVYQEKCYLDPSLNSLVYQNILKVGIQMRISRVSCLYNEKRIGQGILCIDNVHCGETSDSISLETPFRNRAHQEKPERPLRGGKSHYLALWNNEDPYGDIWLTDKQPEEHNFSDTKIISLSHLEMTWTNRRNFPALLVRILHKSKLRYYGKPDKKMIEPYQTFLEVADSSGTVSVIMWNALCPEWYKSLRVGLVLLLQDYSVKKSYPFRIQPVPVDPQIKLISTMEICLNLRDPPTNIIIIPEKQVKPEWRLPKLNHRFTTRSELDDMPENCICDVIGLLVFVGRVQRSKKKENREDFWSYRWIHIADGTSEQPFIVELFSTSQPEIFENIYPMAYFVCTQLKVVRNDNQVPKLLYLTTTNESGVFITGHRGQPYTYDAKVKNFIQWIRTKSDSGEQKNMVIGGYYPYPPVPETFSKYSSSIKVESLLTAISEVRKEIEDLQYREQKRIAIQGIITAIKYIPHSSATESASASETLRNANRPSTSQAARVEIQESNGKRHQDDEPVNSQYFQTTSTNLSLSNKIRILQGPHANPVAVPQPGASVQTKGIKPGMPSIFNRRANTNASLQGKARKTISDRWESQLWREKKFGLIDHLHYSHVYPESIPRKFMFEHRKFLSEQYNSQPAKYVPPEGRPPKLDDFKSARSLGHFEVTILGLNHEIAIDVAFLPMYCPEDIRTSQIDTLLTSMNYSCAYPQDTTGNDRLPGPRAVAGDIIKAATELDRVHIVGILDICNLGNNKVEVYLHKIYSPENTS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25.7	Very low	27.1	Very low	246 Å²	246	138.1 Å²	138.1	100%	1.212	87%	0.868	S	S	*	*				0	158	0	-69.3	-165.1	-73.2	0	0	108.5
2	S	30.9	Very low	27	Very low	131 Å²	131	135.3 Å²	135.3	92%	0.916	85%	0.852	S	S	*	*			trans	-71.1	159.1	-174.3	-46.2	0	0	0	0	112.9
3	G	24.6	Very low	27	Very low	76 Å²	76	134.2 Å²	134.2	78%	0.784	85%	0.852	S	S	*	*			trans	-170.2	86.6	176	0	0	0	0	0	110.7
4	E	30.1	Very low	26.9	Very low	194 Å²	194	137.4 Å²	137.4	91%	0.907	85%	0.85	S	S	*	*			trans	-77.4	142.7	172.2	-62.4	173.5	116.2	0	0	110.4
5	S	27.9	Very low	27.2	Very low	122 Å²	122	135.2 Å²	135.2	85%	0.853	85%	0.851	S	S	*	*			trans	-170.3	141.2	151	40	0	0	0	0	112
6	G	24.3	Very low	27.1	Very low	72 Å²	72	131.1 Å²	131.1	74%	0.742	84%	0.843	S	S	*	*			trans	72.2	89.6	154.4	0	0	0	0	0	118.4
7	Q	29.1	Very low	27.1	Very low	194 Å²	194	133.9 Å²	133.9	91%	0.907	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-71.4	134.7	142.7	-67.9	177.9	-96.5	0	0	108.8
8	P	27.3	Very low	27	Very low	122 Å²	122	134.3 Å²	134.3	79%	0.792	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-87.2	134.5	155.1	22.5	-10.1	0	0	0	109.9
9	E	25.6	Very low	26.7	Very low	191 Å²	191	140.4 Å²	140.4	89%	0.893	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-71.5	154.7	176	-63.5	-179.2	118.8	0	0	112	G11	E9-G11 PolarHBondContact O-N 3.4Å
10	A	29.2	Very low	26.8	Very low	108 Å²	108	138.4 Å²	138.4	89%	0.893	84%	0.838	S	S	*	*			trans	-78.5	87.2	179.4	0	0	0	0	0	111.5
11	G	23.2	Very low	26.7	Very low	63 Å²	63	138.7 Å²	138.7	65%	0.649	84%	0.836	S	S	*	*			trans	-60	154	169.7	0	0	0	0	0	113	E9	E9-G11 PolarHBondContact O-N 3.4Å
12	P	25.7	Very low	26.8	Very low	104 Å²	104	132.2 Å²	132.2	68%	0.675	81%	0.812	S	S	*	*			trans	-69.2	138.7	-168.3	27	-34.8	0	0	0	113.4	H14	P12-H14 PolarHBondContact O-N 3.36Å
13	S	27.7	Very low	26.5	Very low	122 Å²	122	134.3 Å²	134.3	85%	0.853	81%	0.807	S	S	*	*			trans	-75.7	83.1	177.5	57.1	0	0	0	0	111.9	A15	S13-A15 PolarHBondContact O-N 3.31Å
14	H	25.5	Very low	27	Very low	179 Å²	179	142.1 Å²	142.1	83%	0.829	81%	0.813	S	S	*	*			trans	-73.4	92.5	170.2	-77.8	-80.4	0	0	0	111.4	P12	P12-H14 PolarHBondContact O-N 3.36Å
15	A	30.8	Very low	26.8	Very low	104 Å²	104	140.4 Å²	140.4	86%	0.86	81%	0.81	S	S	*	*			trans	-98.1	119.4	155.5	0	0	0	0	0	108.2	S13	S13-A15 PolarHBondContact O-N 3.31Å
16	G	25.8	Very low	27.1	Very low	70 Å²	70	147 Å²	147	72%	0.722	82%	0.816	S	S	*	*			trans	178	110.2	-179.6	0	0	0	0	0	113.2
17	L	26.8	Very low	27.2	Very low	179 Å²	179	148.1 Å²	148.1	94%	0.937	82%	0.818	S	S	*	*			trans	-140.5	121.8	154.3	-99.4	171.4	0	0	0	106.4
18	D	25.3	Very low	27	Very low	140 Å²	140	141.9 Å²	141.9	75%	0.749	81%	0.806	S	S	*	*			trans	-85.2	149.7	-163.6	-55.8	-90.1	0	0	0	114.5
19	W	22.6	Very low	27.1	Very low	250 Å²	250	142.7 Å²	142.7	95%	0.947	81%	0.809	S	S	*	*			trans	-148.3	156.1	136	-86.6	105.5	0	0	0	107
20	P	27	Very low	27.3	Very low	100 Å²	100	139.4 Å²	139.4	65%	0.649	80%	0.804	S	S	*	*				-109.5	155.6	-125.7	3.6	19.5	0	0	0	114.4
21	N	25.1	Very low	27.3	Very low	146 Å²	146	136.9 Å²	136.9	78%	0.781	79%	0.789	S	S	*	*			trans	-62.3	135.8	164.2	-111.3	-44	0	0	0	110.3
22	P	28.5	Very low	27.5	Very low	110 Å²	110	137.8 Å²	137.8	71%	0.714	80%	0.798	S	S	*	*				-121.5	155.1	92.8	36.6	-33.7	0	0	0	112.3
23	E	25	Very low	27.6	Very low	174 Å²	174	138.8 Å²	138.8	81%	0.813	80%	0.802	S	S	*	*			cis	-147.3	164.2	12	-142.8	168.2	-140.3	0	0	111.6	N25	E23-N25 PolarHBondContact O-N 3.42Å
24	R	34.4	Very low	27.8	Very low	241 Å²	241	138.4 Å²	138.4	91%	0.909	79%	0.789	S	S	*	*			trans	-68	120.4	179.7	-84.5	178.5	168.5	169.9	-2.6	111.6
25	N	25.1	Very low	28.1	Very low	158 Å²	158	140.7 Å²	140.7	85%	0.845	79%	0.79	S	S	*	*			trans	-135.1	123	150.4	-105.5	-52	0	0	0	111.9	E23 A27	E23-N25 PolarHBondContact O-N 3.42Å; N25-A27 VanDerWaalsContact C-N 3.31Å; N25-A27 PolarHBondContact O-N 3.34Å
26	R	36	Very low	28.3	Very low	259 Å²	259	147.3 Å²	147.3	98%	0.977	79%	0.793	S	S	*	*			trans	-77.5	79	174.1	-81.6	180	166.3	174.3	-5.1	109.8	G28	R26-G28 PolarHBondContact O-N 2.99Å
27	A	25.4	Very low	28.6	Very low	96 Å²	96	148.1 Å²	148.1	79%	0.793	79%	0.793	S	S	*	*			trans	-78.3	103.8	162.7	0	0	0	0	0	108.8	N25	N25-A27 VanDerWaalsContact C-N 3.31Å; N25-A27 PolarHBondContact O-N 3.34Å
28	G	25.9	Very low	28.8	Very low	63 Å²	63	143.4 Å²	143.4	65%	0.649	79%	0.788	S	S	*	*			trans	-63.1	146.5	169.4	0	0	0	0	0	110.4	R26 P30	R26-G28 PolarHBondContact O-N 2.99Å; G28-P30 VanDerWaalsContact O-CD 3.29Å; G28-P30 WeakPolarHBondContact O-CD 3.44Å; G28-P30 VanDerWaalsContact O-N 3.11Å
29	V	28.3	Very low	29.8	Very low	140 Å²	140	141.6 Å²	141.6	85%	0.848	79%	0.792	S	S	*	*			trans	-55.2	119.1	175.3	178.2	0	0	0	0	108.4	G31	V29-G31 VanDerWaalsContact C-N 3.31Å; V29-G31 PolarHBondContact O-N 3.24Å
30	P	29.6	Very low	30.7	Very low	122 Å²	122	139.5 Å²	139.5	79%	0.792	79%	0.793	S	S	*	*			trans	-72.3	94.1	174.4	29.4	-31.8	0	0	0	107.8	G28	G28-P30 VanDerWaalsContact O-CD 3.29Å; G28-P30 WeakPolarHBondContact O-CD 3.44Å; G28-P30 VanDerWaalsContact O-N 3.11Å
31	G	29	Very low	31.9	Very low	55 Å²	55	137.7 Å²	137.7	57%	0.567	79%	0.792	S	S	*	*			trans	-49.7	142.6	161.8	0	0	0	0	0	109	V29 V33	V29-G31 VanDerWaalsContact C-N 3.31Å; V29-G31 PolarHBondContact O-N 3.24Å; G31-V33 PolarHBondContact O-N 2.68Å
32	G	28.3	Very low	33.5	Very low	82 Å²	82	135.8 Å²	135.8	85%	0.845	79%	0.788	S	S	*	*			trans	-66.9	72.7	-168.2	0	0	0	0	0	114.1	I34	G32-I34 PolarHBondContact O-N 2.71Å
33	V	26.8	Very low	35.7	Very low	125 Å²	125	138.2 Å²	138.2	76%	0.758	78%	0.783	S	S	*	*			trans	-56.7	124.2	171.9	176	0	0	0	0	107.8	G31 R35	G31-V33 PolarHBondContact O-N 2.68Å; V33-R35 PolarHBondContact O-N 3.19Å
34	I	33.5	Very low	38.5	Very low	114 Å²	114	130 Å²	130	59%	0.585	75%	0.745	S	S	*	*			trans	-65	89.5	172.8	-57.2	174.1	0	0	0	107.4	G32 R36	G32-I34 PolarHBondContact O-N 2.71Å; I34-R36 PolarHBondContact O-N 3.2Å
35	R	30.9	Very low	41	Very low	227 Å²	227	119.3 Å²	119.3	86%	0.857	70%	0.704	S	S	*	*			trans	-62.7	105.9	167.4	-80.5	-169.7	172.5	-162.2	-1.6	107	V33 A37	V33-R35 PolarHBondContact O-N 3.19Å; R35-A37 PolarHBondContact O-N 3.45Å
36	R	34.4	Very low	43.9	Very low	242 Å²	242	112 Å²	112	91%	0.913	67%	0.665	S	S	*	*			trans	-60.8	90.3	160.4	-72	-174.2	178.6	-177.1	0.7	107.8	I34	I34-R36 PolarHBondContact O-N 3.2Å
37	A	32.5	Very low	46.1	Very low	88 Å²	88	102.5 Å²	102.5	73%	0.727	63%	0.632	S	S	*	*			trans	-59.5	147.1	164.5	0	0	0	0	0	108.8	R35 A39	R35-A37 PolarHBondContact O-N 3.45Å; A37-A39 PolarHBondContact O-N 2.98Å
38	G	32.1	Very low	49.1	Very low	80 Å²	80	100.8 Å²	100.8	83%	0.825	61%	0.606	S	S	*	*			trans	-58.1	134.4	178.8	0	0	0	0	0	111	Q40	G38-Q40 PolarHBondContact O-N 3.05Å
39	A	44.9	Very low	51.9	Low	101 Å²	101	98 Å²	98	84%	0.835	58%	0.577	S	S	*	*	S	Bend	trans	-74.6	115.6	-177.7	0	0	0	0	0	111.2	A37	A37-A39 PolarHBondContact O-N 2.98Å
40	Q	41.4	Very low	54.3	Low	207 Å²	207	92.1 Å²	92.1	97%	0.967	54%	0.54	S	S	*	.			trans	-161.1	61.5	149.6	-81.7	-131.7	0.6	0	0	109.7	G38	G38-Q40 PolarHBondContact O-N 3.05Å
41	G	53.1	Low	56.8	Low	61 Å²	61	89.5 Å²	89.5	63%	0.629	52%	0.518	S	S	*	.	S	Bend	trans	-162.9	159.2	176.4	0	0	0	0	0	111.9	R43	G41-R43 PolarHBondContact O-N 3.18Å
42	P	59.1	Low	59.4	Low	106 Å²	106	90.6 Å²	90.6	69%	0.688	51%	0.508	S	S	*	.			trans	-64.2	124.1	-179.7	26.1	-33.6	0	0	0	111.1	S44 V103	P42-S44 PolarHBondContact O-N 3.03Å; P42-V103 HydrophobicContact CG-CG2 4.23Å
43	R	73.3	Confident	62.1	Low	162 Å²	162	86.9 Å²	86.9	61%	0.611	47%	0.469	S	S	*	.			trans	-75.8	111.6	-179.3	-174.4	177.1	-179.6	178.2	1.3	110.5	G41 E51	G41-R43 PolarHBondContact O-N 3.18Å; R43-E51 IonicContact CZ-OE2 3.24Å; R43-E51 IonicContact NE-OE2 2.68Å; R43-E51 VanDerWaalsContact NH2-CD 3.34Å; R43-E51 IonicContact NH2-OE1 2.84Å; R43-E51 PolarHBondContact NH2-OE1 2.97Å; R43-E51 IonicContact NH2-OE2 3.6Å; R43-E51 PolarHBondContact NH2-OE2 3.31Å
44	S	84.3	Confident	64.4	Low	2 Å²	2	86 Å²	86	1%	0.014	46%	0.458	C	S	.	.			trans	-47	137.6	178.9	163.8	0	0	0	0	113.8	P42 I46 Q47 K48 D101	P42-S44 PolarHBondContact O-N 3.03Å; S44-I46 PolarHBondContact OG-N 2.78Å; S44-Q47 PolarHBondContact OG-N 3.48Å; S44-Q47 VanDerWaalsContact OG-N 3.1Å; S44-K48 WeakPolarHBondContact O-CG 3.34Å; S44-K48 PolarHBondContact O-N 3.47Å; S44-D101 WeakPolarHBondContact CA-OD2 3.22Å; S44-D101 VanDerWaalsContact CB-OD2 3.27Å; S44-D101 WeakPolarHBondContact CB-OD2 3.43Å; S44-D101 PolarHBondContact OG-OD2 2.97Å
45	W	87.1	Confident	66.5	Low	15 Å²	15	87 Å²	87	6%	0.057	46%	0.464	C	S	.	.	H	α-helix	trans	-70.8	-41.4	173.2	177.4	88	0	0	0	111.1	Q47 K48 V49 P63 E65 V67 V69 D101 I131	W45-Q47 VanDerWaalsContact C-N 3.26Å; W45-Q47 PolarHBondContact O-N 3.07Å; W45-K48 PolarHBondContact O-N 3.18Å; W45-V49 HydrophobicContact CD2-CG2 3.99Å; W45-V49 HydrophobicContact CE3-CG2 4.3Å; W45-V49 HydrophobicContact CH2-CG2 3.91Å; W45-V49 HydrophobicContact CZ2-CG2 3.61Å; W45-V49 HydrophobicContact CZ3-CG2 4.26Å; W45-V49 WeakPolarHBondContact O-CG2 3.47Å; W45-V49 PolarHBondContact O-N 3.01Å; W45-P63 HydrophobicContact CZ2-CB 4.08Å; W45-P63 HydrophobicContact CZ2-CG 4.06Å; W45-E65 PolarHBondContact NE1-O 3.06Å; W45-V67 HydrophobicContact CB-CB 4.29Å; W45-V67 HydrophobicContact CB-CG2 4.31Å; W45-V67 HydrophobicContact CD2-CB 4.17Å; W45-V67 HydrophobicContact CG-CB 3.77Å; W45-V67 HydrophobicContact CG-CG2 3.85Å; W45-V69 HydrophobicContact CE3-CG1 3.65Å; W45-V69 HydrophobicContact CZ3-CG1 3.78Å; W45-D101 PolarHBondContact N-OD2 3.47Å; W45-I131 HydrophobicContact CH2-CB 4.08Å; W45-I131 HydrophobicContact CH2-CD1 4.28Å; W45-I131 HydrophobicContact CH2-CG1 4.48Å; W45-I131 HydrophobicContact CZ3-CD1 4.29Å
46	I	85.4	Confident	68.6	Low	5 Å²	5	77.4 Å²	77.4	3%	0.026	43%	0.432	C	S	.	.	H	α-helix	trans	-57.5	-42.2	176.1	-64.6	170.6	0	0	0	110.2	S44 V49 L50 V69 I99 D101 E106	S44-I46 PolarHBondContact OG-N 2.78Å; I46-V49 PolarHBondContact O-N 3.42Å; I46-L50 HydrophobicContact CG2-CD1 3.85Å; I46-L50 WeakPolarHBondContact O-CD1 3.5Å; I46-L50 WeakPolarHBondContact O-CG 3.27Å; I46-L50 PolarHBondContact O-N 3.29Å; I46-V69 HydrophobicContact CG1-CG1 4.45Å; I46-I99 HydrophobicContact CD1-CD1 4.02Å; I46-I99 HydrophobicContact CD1-CG1 3.98Å; I46-I99 HydrophobicContact CG1-CD1 4.19Å; I46-D101 HydrophobicContact CD1-CB 3.94Å; I46-D101 HydrophobicContact CG1-CB 4.02Å; I46-D101 PolarHBondContact N-OD2 2.88Å; I46-D101 VanDerWaalsContact N-OD2 3.08Å; I46-E106 HydrophobicContact CG2-CB 3.85Å; I46-E106 HydrophobicContact CG2-CG 4.48Å
47	Q	84	Confident	70.2	Confident	59 Å²	59	72.1 Å²	72.1	28%	0.276	43%	0.429	S	S	.	.	H	α-helix	trans	-63.7	-48	175.3	-71	-177.9	-23.2	0	0	113.1	S44 W45 V49 L50 E51 Y104	S44-Q47 PolarHBondContact OG-N 3.48Å; S44-Q47 VanDerWaalsContact OG-N 3.1Å; W45-Q47 VanDerWaalsContact C-N 3.26Å; W45-Q47 PolarHBondContact O-N 3.07Å; Q47-V49 VanDerWaalsContact C-N 3.27Å; Q47-V49 PolarHBondContact O-N 3.14Å; Q47-L50 PolarHBondContact O-N 3Å; Q47-E51 WeakPolarHBondContact O-CG 3.37Å; Q47-E51 PolarHBondContact O-N 3.41Å; Q47-Y104 HydrophobicContact CG-CD2 4.33Å; Q47-Y104 HydrophobicContact CG-CE2 4.45Å; Q47-Y104 PolarHBondContact NE2-OH 3.39Å
48	K	86.4	Confident	72	Confident	61 Å²	61	78.4 Å²	78.4	27%	0.265	43%	0.434	S	S	.	.	H	α-helix	trans	-53.9	-44.8	176.4	-69	170.6	-177.5	172.6	0	111.5	S44 W45 E51 Q52 E65	S44-K48 WeakPolarHBondContact O-CG 3.34Å; S44-K48 PolarHBondContact O-N 3.47Å; W45-K48 PolarHBondContact O-N 3.18Å; K48-E51 PolarHBondContact O-N 2.86Å; K48-Q52 WeakPolarHBondContact O-CG 3.4Å; K48-Q52 PolarHBondContact O-N 3.11Å; K48-E65 IonicContact NZ-OE1 2.71Å; K48-E65 IonicContact NZ-OE2 3.77Å; K48-E65 PolarHBondContact NZ-OE2 3.27Å
49	V	85.4	Confident	74.2	Confident	4 Å²	4	79.4 Å²	79.4	2%	0.024	42%	0.417	C	S	.	.	H	α-helix	trans	-67.3	-41.3	-178.4	169.7	0	0	0	0	111.2	W45 I46 Q47 Q52 I53 P63 V134	W45-V49 HydrophobicContact CD2-CG2 3.99Å; W45-V49 HydrophobicContact CE3-CG2 4.3Å; W45-V49 HydrophobicContact CH2-CG2 3.91Å; W45-V49 HydrophobicContact CZ2-CG2 3.61Å; W45-V49 HydrophobicContact CZ3-CG2 4.26Å; W45-V49 WeakPolarHBondContact O-CG2 3.47Å; W45-V49 PolarHBondContact O-N 3.01Å; I46-V49 PolarHBondContact O-N 3.42Å; Q47-V49 VanDerWaalsContact C-N 3.27Å; Q47-V49 PolarHBondContact O-N 3.14Å; V49-Q52 PolarHBondContact O-N 3.05Å; V49-I53 HydrophobicContact CG1-CD1 3.91Å; V49-I53 HydrophobicContact CG1-CG1 4.5Å; V49-I53 WeakPolarHBondContact O-CD1 3.33Å; V49-I53 VanDerWaalsContact O-CG1 3.27Å; V49-I53 WeakPolarHBondContact O-CG1 3.45Å; V49-I53 PolarHBondContact O-N 3.03Å; V49-P63 HydrophobicContact CG1-CG 4.43Å; V49-P63 HydrophobicContact CG2-CB 4.16Å; V49-P63 HydrophobicContact CG2-CG 4.06Å; V49-V134 HydrophobicContact CG1-CG2 3.72Å
50	L	78.8	Confident	76.1	Confident	17 Å²	17	76.1 Å²	76.1	9%	0.089	39%	0.388	C	S	.	.	H	α-helix	trans	-64.9	-39.1	176.1	-74.6	163.4	0	0	0	112.8	I46 Q47 I53 M54 L148	I46-L50 HydrophobicContact CG2-CD1 3.85Å; I46-L50 WeakPolarHBondContact O-CD1 3.5Å; I46-L50 WeakPolarHBondContact O-CG 3.27Å; I46-L50 PolarHBondContact O-N 3.29Å; Q47-L50 PolarHBondContact O-N 3Å; L50-I53 PolarHBondContact O-N 2.9Å; L50-M54 WeakPolarHBondContact O-CG 3.27Å; L50-M54 PolarHBondContact O-N 3.42Å; L50-M54 VanDerWaalsContact O-N 3.11Å; L50-L148 HydrophobicContact CD2-CB 4.4Å; L50-L148 HydrophobicContact CD2-CD1 4.34Å; L50-L148 HydrophobicContact CD2-CD2 4.04Å; L50-L148 HydrophobicContact CG-CD2 4.5Å
51	E	82.3	Confident	78.2	Confident	67 Å²	67	67.2 Å²	67.2	31%	0.313	35%	0.347	S	S	.	.	H	α-helix	trans	-58.6	-50.6	171.2	-68.7	169.6	143.9	0	0	110.4	R43 Q47 K48 I53 M54 D55	R43-E51 IonicContact CZ-OE2 3.24Å; R43-E51 IonicContact NE-OE2 2.68Å; R43-E51 VanDerWaalsContact NH2-CD 3.34Å; R43-E51 IonicContact NH2-OE1 2.84Å; R43-E51 PolarHBondContact NH2-OE1 2.97Å; R43-E51 IonicContact NH2-OE2 3.6Å; R43-E51 PolarHBondContact NH2-OE2 3.31Å; Q47-E51 WeakPolarHBondContact O-CG 3.37Å; Q47-E51 PolarHBondContact O-N 3.41Å; K48-E51 PolarHBondContact O-N 2.86Å; E51-I53 VanDerWaalsContact C-N 3.31Å; E51-I53 PolarHBondContact O-N 3.19Å; E51-M54 PolarHBondContact O-N 3.36Å; E51-D55 PolarHBondContact O-N 2.83Å
52	Q	84.5	Confident	79.8	Confident	77 Å²	77	69.5 Å²	69.5	36%	0.36	35%	0.349	S	S	.	.	H	α-helix	trans	-59.2	-35.1	178.5	-72.3	174.2	-4.8	0	0	113.9	K48 V49 S56 V61	K48-Q52 WeakPolarHBondContact O-CG 3.4Å; K48-Q52 PolarHBondContact O-N 3.11Å; V49-Q52 PolarHBondContact O-N 3.05Å; Q52-S56 WeakPolarHBondContact O-CB 3.39Å; Q52-S56 PolarHBondContact O-N 3.19Å; Q52-S56 VanDerWaalsContact O-N 3.14Å; Q52-V61 HydrophobicContact CB-CG1 4.2Å; Q52-V61 HydrophobicContact CB-CG2 4.21Å; Q52-V61 WeakPolarHBondContact O-CG2 3.3Å
53	I	83.9	Confident	81	Confident	5 Å²	5	64.8 Å²	64.8	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-75.8	-36.1	178.4	-57.2	156.2	0	0	0	111.4	V49 L50 E51 D55 S56 V61 V134 C136 L148	V49-I53 HydrophobicContact CG1-CD1 3.91Å; V49-I53 HydrophobicContact CG1-CG1 4.5Å; V49-I53 WeakPolarHBondContact O-CD1 3.33Å; V49-I53 VanDerWaalsContact O-CG1 3.27Å; V49-I53 WeakPolarHBondContact O-CG1 3.45Å; V49-I53 PolarHBondContact O-N 3.03Å; L50-I53 PolarHBondContact O-N 2.9Å; E51-I53 VanDerWaalsContact C-N 3.31Å; E51-I53 PolarHBondContact O-N 3.19Å; I53-D55 VanDerWaalsContact C-N 3.29Å; I53-D55 PolarHBondContact O-N 3.26Å; I53-S56 PolarHBondContact O-N 2.9Å; I53-V61 HydrophobicContact CB-CG2 4.17Å; I53-V61 HydrophobicContact CG1-CB 3.85Å; I53-V61 HydrophobicContact CG1-CG2 3.61Å; I53-V134 HydrophobicContact CD1-CB 4.1Å; I53-V134 HydrophobicContact CD1-CG2 3.65Å; I53-V134 HydrophobicContact CG1-CG2 4.13Å; I53-C136 HydrophobicContact CG2-CB 3.58Å; I53-L148 HydrophobicContact CD1-CD1 3.44Å; I53-L148 VanDerWaalsContact CD1-CD1 3.44Å
54	M	74.9	Confident	81.1	Confident	107 Å²	107	62.4 Å²	62.4	53%	0.527	33%	0.327	S	S	.	.	H	α-helix	trans	-63.9	-36.3	174.7	-74.6	178.3	53	0	0	112	L50 E51 S56	L50-M54 WeakPolarHBondContact O-CG 3.27Å; L50-M54 PolarHBondContact O-N 3.42Å; L50-M54 VanDerWaalsContact O-N 3.11Å; E51-M54 PolarHBondContact O-N 3.36Å; M54-S56 VanDerWaalsContact C-N 3.34Å
55	D	77.4	Confident	81	Confident	134 Å²	134	67 Å²	67	72%	0.717	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-7.7	176	-64.2	-23.2	0	0	0	113.2	E51 I53 P57	E51-D55 PolarHBondContact O-N 2.83Å; I53-D55 VanDerWaalsContact C-N 3.29Å; I53-D55 PolarHBondContact O-N 3.26Å; D55-P57 WeakPolarHBondContact O-CD 3.34Å
56	S	76.5	Confident	80.8	Confident	25 Å²	25	69.3 Å²	69.3	18%	0.175	36%	0.363	C	S	.	.			trans	-85.1	117	-177.3	178	0	0	0	0	112.1	Q52 I53 M54 R58 Q59 C60	Q52-S56 WeakPolarHBondContact O-CB 3.39Å; Q52-S56 PolarHBondContact O-N 3.19Å; Q52-S56 VanDerWaalsContact O-N 3.14Å; I53-S56 PolarHBondContact O-N 2.9Å; M54-S56 VanDerWaalsContact C-N 3.34Å; S56-R58 PolarHBondContact O-N 2.77Å; S56-R58 PolarHBondContact OG-N 3.1Å; S56-Q59 PolarHBondContact O-N 3.32Å; S56-C60 PolarHBondContact OG-O 3.08Å
57	P	67.1	Low	80.8	Confident	132 Å²	132	71.1 Å²	71.1	86%	0.857	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-9.2	177	29.5	-36.2	0	0	0	113.3	D55	D55-P57 WeakPolarHBondContact O-CD 3.34Å
58	R	70	Confident	81	Confident	220 Å²	220	70.7 Å²	70.7	83%	0.83	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-1.8	173.5	-67.2	-173.6	175.8	-170.1	-1.6	113.3	S56 C60	S56-R58 PolarHBondContact O-N 2.77Å; S56-R58 PolarHBondContact OG-N 3.1Å; R58-C60 PolarHBondContact O-N 2.82Å
59	Q	78.8	Confident	81.2	Confident	100 Å²	100	67.8 Å²	67.8	47%	0.467	36%	0.364	S	S	.	.	S	Bend	trans	52.2	23.9	-174.9	-57.1	179.5	-0.9	0	0	113.4	S56 S135 C136 Y138	S56-Q59 PolarHBondContact O-N 3.32Å; Q59-S135 CarbonylContact O-C 3.58Å; Q59-S135 WeakPolarHBondContact O-CA 3.46Å; Q59-C136 PolarHBondContact O-N 3.05Å; Q59-Y138 HydrophobicContact CG-CE2 4.15Å
60	C	83.7	Confident	81.6	Confident	33 Å²	33	68.5 Å²	68.5	22%	0.223	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	143.4	-175.8	-179.7	0	0	0	0	108.9	S56 R58 R133 V134	S56-C60 PolarHBondContact OG-O 3.08Å; R58-C60 PolarHBondContact O-N 2.82Å; C60-R133 PolarHBondContact SG-NE 2.56Å; C60-R133 VanDerWaalsContact SG-NE 3.42Å; C60-V134 CarbonylContact C-O 3.58Å; C60-V134 VanDerWaalsContact CA-O 3.3Å; C60-V134 WeakPolarHBondContact CA-O 3.43Å; C60-V134 PolarHBondContact SG-O 3.25Å
61	V	86.9	Confident	82.3	Confident	20 Å²	20	67.7 Å²	67.7	12%	0.121	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	138.6	-175	173.3	0	0	0	0	110.2	Q52 I53 V134	Q52-V61 HydrophobicContact CB-CG1 4.2Å; Q52-V61 HydrophobicContact CB-CG2 4.21Å; Q52-V61 WeakPolarHBondContact O-CG2 3.3Å; I53-V61 HydrophobicContact CB-CG2 4.17Å; I53-V61 HydrophobicContact CG1-CB 3.85Å; I53-V61 HydrophobicContact CG1-CG2 3.61Å; V61-V134 HydrophobicContact CB-CG2 4.29Å; V61-V134 PolarHBondContact N-O 3.21Å; V61-V134 WeakPolarHBondContact O-CG2 3.48Å; V61-V134 PolarHBondContact O-N 2.68Å
62	T	87.1	Confident	82.8	Confident	109 Å²	109	64.9 Å²	64.9	67%	0.669	35%	0.352	S	S	*	.			trans	-98.6	108.3	160.4	-59.6	0	0	0	0	107	S64 S132	T62-S64 PolarHBondContact O-N 3.24Å; T62-S132 WeakPolarHBondContact CG2-O 3.34Å
63	P	83.7	Confident	83.3	Confident	6 Å²	6	61.5 Å²	61.5	4%	0.039	34%	0.337	C	S	.	.			trans	-60.7	129.8	-176.9	-25.4	36	0	0	0	111.8	W45 V49 E65 S132 V134	W45-P63 HydrophobicContact CZ2-CB 4.08Å; W45-P63 HydrophobicContact CZ2-CG 4.06Å; V49-P63 HydrophobicContact CG1-CG 4.43Å; V49-P63 HydrophobicContact CG2-CB 4.16Å; V49-P63 HydrophobicContact CG2-CG 4.06Å; P63-E65 PolarHBondContact O-N 3.21Å; P63-S132 WeakPolarHBondContact CD-O 3.41Å; P63-V134 HydrophobicContact CG-CG2 4.41Å
64	S	75.8	Confident	84	Confident	113 Å²	113	61.3 Å²	61.3	79%	0.79	34%	0.336	S	S	*	.	S	Bend	trans	-70.4	-22.1	179.1	58.8	0	0	0	0	113.5	T62	T62-S64 PolarHBondContact O-N 3.24Å
65	E	81.1	Confident	84.9	Confident	99 Å²	99	56.3 Å²	56.3	46%	0.463	31%	0.311	S	S	.	.	S	Bend	trans	-121.8	119	174.5	-179.4	-173	-156	0	0	106.5	W45 K48 P63 V67	W45-E65 PolarHBondContact NE1-O 3.06Å; K48-E65 IonicContact NZ-OE1 2.71Å; K48-E65 IonicContact NZ-OE2 3.77Å; K48-E65 PolarHBondContact NZ-OE2 3.27Å; P63-E65 PolarHBondContact O-N 3.21Å; E65-V67 HydrophobicContact CG-CG2 4.06Å
66	V	82.9	Confident	85.7	Confident	62 Å²	62	50.2 Å²	50.2	38%	0.376	28%	0.278	S	S	.	.			trans	-109.1	96.2	-176.6	-178.9	0	0	0	0	110	R130	V66-R130 HydrophobicContact CG1-CB 3.65Å; V66-R130 HydrophobicContact CG1-CG 4.1Å
67	V	85.5	Confident	86.5	Confident	44 Å²	44	49 Å²	49	27%	0.267	27%	0.27	S	S	.	.			trans	-89.4	141.9	179.9	179.5	0	0	0	0	109.7	W45 E65 V69	W45-V67 HydrophobicContact CB-CB 4.29Å; W45-V67 HydrophobicContact CB-CG2 4.31Å; W45-V67 HydrophobicContact CD2-CB 4.17Å; W45-V67 HydrophobicContact CG-CB 3.77Å; W45-V67 HydrophobicContact CG-CG2 3.85Å; E65-V67 HydrophobicContact CG-CG2 4.06Å; V67-V69 PolarHBondContact O-N 2.84Å
68	P	88.4	Confident	87.5	Confident	49 Å²	49	42.9 Å²	42.9	32%	0.318	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	126.9	169.7	27.3	-33.5	0	0	0	111.1	Q128 M129 R130	P68-Q128 HydrophobicContact CB-CB 4.14Å; P68-M129 WeakPolarHBondContact CA-O 3.32Å; P68-R130 HydrophobicContact CB-CG 4.38Å
69	V	90.8	Very high	88.2	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	147.4	170.2	-63	0	0	0	0	110.1	W45 I46 V67 I99 S100 D101 Q128 M129 I131	W45-V69 HydrophobicContact CE3-CG1 3.65Å; W45-V69 HydrophobicContact CZ3-CG1 3.78Å; I46-V69 HydrophobicContact CG1-CG1 4.45Å; V67-V69 PolarHBondContact O-N 2.84Å; V69-I99 HydrophobicContact CG2-CB 4.27Å; V69-I99 HydrophobicContact CG2-CD1 4.37Å; V69-S100 CarbonylContact C-O 3.52Å; V69-S100 WeakPolarHBondContact CA-O 3.46Å; V69-D101 HydrophobicContact CG1-CB 4.08Å; V69-Q128 CarbonylContact O-C 3.5Å; V69-Q128 WeakPolarHBondContact O-CA 3.38Å; V69-M129 HydrophobicContact CG2-CE 4.2Å; V69-M129 HydrophobicContact CG2-CG 4.03Å; V69-M129 PolarHBondContact N-O 2.83Å; V69-M129 PolarHBondContact O-N 3.28Å; V69-I131 HydrophobicContact CG2-CD1 3.89Å; V69-I131 HydrophobicContact CG2-CG1 4.11Å
70	T	92.5	Very high	88.2	Confident	19 Å²	19	30.2 Å²	30.2	12%	0.117	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	138	179.8	-58.6	0	0	0	0	111.2	L72 I99 S100 I127 I162	T70-L72 HydrophobicContact CG2-CD2 4.07Å; T70-I99 CarbonylContact O-C 3.55Å; T70-I99 WeakPolarHBondContact O-CA 3.41Å; T70-S100 PolarHBondContact N-O 3.13Å; T70-S100 PolarHBondContact O-N 2.84Å; T70-I127 WeakPolarHBondContact CA-O 3.28Å; T70-I162 HydrophobicContact CG2-CB 4.37Å; T70-I162 HydrophobicContact CG2-CD1 3.42Å; T70-I162 VanDerWaalsContact CG2-CD1 3.42Å; T70-I162 HydrophobicContact CG2-CG1 3.67Å; T70-I162 HydrophobicContact CG2-CG2 3.87Å
71	V	94.7	Very high	87.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	113.7	173.6	-176.1	0	0	0	0	110.6	V74 V97 L123 K124 V125 G126 I127 M129	V71-V74 HydrophobicContact CG1-CG2 3.79Å; V71-V97 HydrophobicContact CG1-CG1 3.93Å; V71-L123 HydrophobicContact CG1-CD1 4.48Å; V71-L123 HydrophobicContact CG2-CD1 3.91Å; V71-K124 WeakPolarHBondContact CB-O 3.43Å; V71-K124 WeakPolarHBondContact CG1-O 3.34Å; V71-V125 WeakPolarHBondContact O-CA 3.48Å; V71-G126 PolarHBondContact O-N 2.95Å; V71-I127 HydrophobicContact CB-CG1 4.25Å; V71-I127 HydrophobicContact CG2-CD1 4.38Å; V71-I127 HydrophobicContact CG2-CG1 3.82Å; V71-I127 PolarHBondContact N-O 3.28Å; V71-M129 HydrophobicContact CG2-CE 4.15Å; V71-M129 HydrophobicContact CG2-CG 3.92Å; V71-M129 HydrophobicContact CG2-SD 3.65Å
72	L	93.4	Very high	86.9	Confident	9 Å²	9	33 Å²	33	5%	0.047	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-29.3	-179.7	-60.8	-172.7	0	0	0	113.6	T70 T98 Q105 I162 L164 K728 Y729	T70-L72 HydrophobicContact CG2-CD2 4.07Å; L72-T98 HydrophobicContact CB-CG2 4.24Å; L72-T98 PolarHBondContact N-O 3.35Å; L72-Q105 HydrophobicContact CD1-CG 3.79Å; L72-I162 HydrophobicContact CD2-CG2 3.42Å; L72-I162 VanDerWaalsContact CD2-CG2 3.42Å; L72-L164 HydrophobicContact CD1-CD2 4.45Å; L72-L164 HydrophobicContact CD2-CD2 4.04Å; L72-K728 CarbonylContact O-C 3.58Å; L72-Y729 WeakPolarHBondContact O-CB 3.34Å; L72-Y729 PolarHBondContact O-N 3.32Å
73	A	95.1	Very high	85.8	Confident	6 Å²	6	32.5 Å²	32.5	5%	0.05	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	149.9	176.6	0	0	0	0	0	111.8	Q75 V97 T98 A727 K728	A73-Q75 HydrophobicContact CB-CG 3.99Å; A73-V97 WeakPolarHBondContact O-CA 3.32Å; A73-T98 PolarHBondContact N-O 2.88Å; A73-T98 PolarHBondContact O-N 2.83Å; A73-A727 WeakPolarHBondContact CA-O 3.38Å; A73-K728 HydrophobicContact CB-CG 3.97Å
74	V	96.8	Very high	84.7	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	100	169.2	-178.4	0	0	0	0	106.9	V71 Y95 V118 V125 L191 A727	V71-V74 HydrophobicContact CG1-CG2 3.79Å; V74-Y95 HydrophobicContact CG1-CD1 3.94Å; V74-V118 HydrophobicContact CG1-CG1 3.94Å; V74-V118 HydrophobicContact CG1-CG2 4.15Å; V74-V125 HydrophobicContact CG2-CG1 4.34Å; V74-L191 HydrophobicContact CG1-CD1 4.24Å; V74-A727 PolarHBondContact N-O 3.11Å
75	Q	95.6	Very high	84.1	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	116	-168.6	-52.6	-170.7	-88.5	0	0	110.6	A73 Y95 D96 K107 E178 Y188 Y198 K728	A73-Q75 HydrophobicContact CB-CG 3.99Å; Q75-Y95 WeakPolarHBondContact O-CA 3.41Å; Q75-D96 PolarHBondContact N-O 2.81Å; Q75-D96 PolarHBondContact O-N 3.39Å; Q75-K107 VanDerWaalsContact OE1-CE 3.24Å; Q75-E178 PolarHBondContact NE2-OE2 2.91Å; Q75-Y188 HydrophobicContact CB-CD1 3.51Å; Q75-Y188 HydrophobicContact CB-CD2 4.29Å; Q75-Y188 HydrophobicContact CB-CE1 3.48Å; Q75-Y188 VanDerWaalsContact CB-CE1 3.48Å; Q75-Y188 HydrophobicContact CB-CE2 4.25Å; Q75-Y188 HydrophobicContact CB-CG 3.92Å; Q75-Y198 PolarHBondContact NE2-OH 2.84Å; Q75-K728 VanDerWaalsContact NE2-CE 3.25Å
76	R	94	Very high	83	Confident	6 Å²	6	42.3 Å²	42.3	2%	0.023	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	141.4	-175.7	-169.4	172	69.2	121.7	-0.4	111.8	Y93 C94 Y95 Y188 L189 A190 L191 N193 N194	R76-Y93 HydrophobicContact CG-CD1 4.31Å; R76-Y93 HydrophobicContact CG-CG 4.45Å; R76-C94 WeakPolarHBondContact CA-O 3.43Å; R76-Y95 HydrophobicContact CB-CD1 3.98Å; R76-Y95 HydrophobicContact CB-CE1 3.63Å; R76-Y95 WeakPolarHBondContact CD-OH 3.41Å; R76-Y95 HydrophobicContact CG-CD1 4.18Å; R76-Y95 HydrophobicContact CG-CE1 3.52Å; R76-Y188 CarbonylContact O-C 3.51Å; R76-Y188 WeakPolarHBondContact O-CA 3.39Å; R76-L189 PolarHBondContact O-N 3.33Å; R76-A190 PolarHBondContact NE-O 3.42Å; R76-A190 PolarHBondContact NH2-O 2.82Å; R76-L191 HydrophobicContact CB-CD1 4.08Å; R76-L191 WeakPolarHBondContact CD-O 3.24Å; R76-L191 PolarHBondContact NE-O 2.97Å; R76-L191 VanDerWaalsContact NE-O 3.14Å; R76-N193 PolarHBondContact NH2-O 3.24Å; R76-N194 PolarHBondContact NH1-OD1 2.8Å; R76-N194 PolarHBondContact NH2-OD1 2.63Å
77	Y	91.9	Very high	82.2	Confident	1 Å²	1	44.2 Å²	44.2	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	162.7	169.1	62.5	-83.2	0	0	0	111	L79 Y93 C94 D96 Y109 P180 R182 Y188	Y77-L79 HydrophobicContact CE2-CD1 4.3Å; Y77-Y93 CarbonylContact O-C 3.59Å; Y77-Y93 WeakPolarHBondContact O-CA 3.32Å; Y77-C94 HydrophobicContact CD1-CB 4.4Å; Y77-C94 WeakPolarHBondContact CD1-O 3.45Å; Y77-C94 HydrophobicContact CD2-CB 4.2Å; Y77-C94 HydrophobicContact CE1-CB 3.83Å; Y77-C94 HydrophobicContact CE2-CB 3.59Å; Y77-C94 PolarHBondContact N-O 2.88Å; Y77-C94 PolarHBondContact O-N 3.45Å; Y77-D96 WeakPolarHBondContact CE1-OD1 3.37Å; Y77-Y109 VanDerWaalsContact OH-CD2 3.28Å; Y77-Y109 WeakPolarHBondContact OH-CD2 3.29Å; Y77-Y109 VanDerWaalsContact OH-CE2 3.24Å; Y77-Y109 WeakPolarHBondContact OH-CE2 3.4Å; Y77-P180 HydrophobicContact CD1-CB 3.91Å; Y77-P180 HydrophobicContact CD1-CG 4.21Å; Y77-P180 HydrophobicContact CD2-CB 3.9Å; Y77-P180 HydrophobicContact CD2-CG 4.22Å; Y77-P180 HydrophobicContact CE1-CB 4.16Å; Y77-P180 HydrophobicContact CE2-CB 4.16Å; Y77-P180 HydrophobicContact CG-CB 3.77Å; Y77-P180 HydrophobicContact CG-CG 3.82Å; Y77-R182 HydrophobicContact CE2-CB 4.43Å; Y77-R182 WeakPolarHBondContact CE2-O 3.31Å; Y77-Y188 HydrophobicContact CD1-CD1 4.04Å; Y77-Y188 AromaticContact CD1-CE1 3.88Å; Y77-Y188 HydrophobicContact CD1-CE1 3.88Å
78	L	88.9	Confident	81	Confident	2 Å²	2	47 Å²	47	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.6	177.6	176.4	59.8	0	0	0	110.1	P91 Y93 K185 L189 Y249	L78-P91 HydrophobicContact CD1-CB 3.81Å; L78-Y93 HydrophobicContact CB-CD1 3.96Å; L78-Y93 HydrophobicContact CB-CE1 3.89Å; L78-Y93 HydrophobicContact CD1-CD1 4.12Å; L78-Y93 HydrophobicContact CD1-CE1 4.06Å; L78-Y93 HydrophobicContact CG-CE1 4.38Å; L78-K185 WeakPolarHBondContact O-CD 3.29Å; L78-K185 PolarHBondContact O-NZ 2.8Å; L78-L189 HydrophobicContact CB-CD1 4.28Å; L78-Y249 HydrophobicContact CD2-CE1 3.95Å
79	L	85.5	Confident	79.9	Confident	29 Å²	29	49.6 Å²	49.6	15%	0.152	26%	0.26	C	S	.	.			trans	-62.1	161.1	177.1	-160.9	62.8	0	0	0	111.4	Y77 L92 R182 K185	Y77-L79 HydrophobicContact CE2-CD1 4.3Å; L79-L92 WeakPolarHBondContact CB-O 3.46Å; L79-L92 HydrophobicContact CD2-CD2 4.13Å; L79-L92 PolarHBondContact N-O 2.98Å; L79-L92 VanDerWaalsContact N-O 3.08Å; L79-R182 HydrophobicContact CD1-CB 4.35Å; L79-K185 PolarHBondContact O-NZ 3.2Å
80	E	78.1	Confident	78.7	Confident	25 Å²	25	54.6 Å²	54.6	12%	0.117	29%	0.292	C	S	.	.			trans	-112.3	151.7	172.5	-69.9	-176.8	152.5	0	0	109.5	E82 G184 K185	E80-E82 PolarHBondContact O-N 3.07Å; E80-G184 WeakPolarHBondContact OE2-CA 3.25Å; E80-G184 PolarHBondContact OE2-N 3.31Å; E80-K185 HydrophobicContact CG-CD 4.32Å; E80-K185 HydrophobicContact CG-CG 3.92Å; E80-K185 WeakPolarHBondContact OE1-CE 3.39Å; E80-K185 VanDerWaalsContact OE1-CG 3.26Å; E80-K185 WeakPolarHBondContact OE1-CG 3.33Å; E80-K185 IonicContact OE1-NZ 2.93Å
81	D	73.3	Confident	77.6	Confident	27 Å²	27	56.1 Å²	56.1	14%	0.144	30%	0.303	C	S	.	.			trans	-65.4	130.3	173.2	-68.6	-31.2	0	0	0	109.5	D85 K89 P253 D254	D81-D85 HydrophobicContact CB-CB 4.28Å; D81-K89 WeakPolarHBondContact OD1-CB 3.47Å; D81-P253 PolarHBondContact N-O 3.46Å; D81-P253 VanDerWaalsContact N-O 3.11Å; D81-P253 WeakPolarHBondContact OD1-CB 3.34Å; D81-D254 PolarHBondContact OD2-N 3.05Å
82	E	70.1	Confident	77	Confident	86 Å²	86	59.3 Å²	59.3	40%	0.402	32%	0.319	S	S	.	.			trans	-76.7	153.6	178.5	-78.4	-75.7	178.9	0	0	109.9	E80 R84 D85 K141	E80-E82 PolarHBondContact O-N 3.07Å; E82-R84 PolarHBondContact O-N 3.34Å; E82-D85 PolarHBondContact N-OD2 2.95Å; E82-D85 WeakPolarHBondContact O-CB 3.49Å; E82-D85 PolarHBondContact O-N 2.76Å; E82-K141 IonicContact OE2-NZ 3.48Å
83	P	64	Low	76.7	Confident	97 Å²	97	59.1 Å²	59.1	63%	0.63	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-0	-174.5	-24.7	34.9	0	0	0	117.2
84	R	60.1	Low	76.6	Confident	229 Å²	229	58.9 Å²	58.9	86%	0.864	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-4.5	174.6	-56.5	-171.2	-171.8	-163.3	6	113	E82 T86	E82-R84 PolarHBondContact O-N 3.34Å; R84-T86 PolarHBondContact O-N 3.15Å
85	D	63	Low	76.5	Confident	57 Å²	57	59.2 Å²	59.2	31%	0.305	32%	0.317	S	S	.	.			trans	-77.9	99.9	-179.1	-68.4	-33.3	0	0	0	110.1	D81 E82 V87 K89	D81-D85 HydrophobicContact CB-CB 4.28Å; E82-D85 PolarHBondContact N-OD2 2.95Å; E82-D85 WeakPolarHBondContact O-CB 3.49Å; E82-D85 PolarHBondContact O-N 2.76Å; D85-V87 VanDerWaalsContact C-N 3.27Å; D85-V87 PolarHBondContact O-N 2.89Å; D85-K89 VanDerWaalsContact CG-CE 3.47Å; D85-K89 WeakPolarHBondContact OD1-CE 3.26Å; D85-K89 IonicContact OD1-NZ 2.69Å; D85-K89 PolarHBondContact OD1-NZ 3.31Å; D85-K89 WeakPolarHBondContact OD2-CE 3.49Å; D85-K89 IonicContact OD2-NZ 2.81Å; D85-K89 PolarHBondContact OD2-NZ 3.39Å
86	T	59.1	Low	76.5	Confident	138 Å²	138	59.1 Å²	59.1	85%	0.847	32%	0.317	S	S	*	.			trans	-78.4	-9.2	-178.8	51.8	0	0	0	0	114	R84	R84-T86 PolarHBondContact O-N 3.15Å
87	V	66.1	Low	76.5	Confident	102 Å²	102	58.9 Å²	58.9	62%	0.618	32%	0.316	S	S	*	.	S	Bend	trans	-127.8	123.8	178.7	-178.1	0	0	0	0	108.3	D85 K89	D85-V87 VanDerWaalsContact C-N 3.27Å; D85-V87 PolarHBondContact O-N 2.89Å; V87-K89 PolarHBondContact O-N 3.09Å
88	P	60.8	Low	76.6	Confident	102 Å²	102	59.1 Å²	59.1	66%	0.662	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-59.1	127.1	177.1	-24	33.9	0	0	0	111.5
89	K	65.3	Low	76.8	Confident	104 Å²	104	59 Å²	59	45%	0.452	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-86.1	155.8	-177.1	-68.1	170.1	-177	164.7	0	111.6	D81 D85 V87	D81-K89 WeakPolarHBondContact OD1-CB 3.47Å; D85-K89 VanDerWaalsContact CG-CE 3.47Å; D85-K89 WeakPolarHBondContact OD1-CE 3.26Å; D85-K89 IonicContact OD1-NZ 2.69Å; D85-K89 PolarHBondContact OD1-NZ 3.31Å; D85-K89 WeakPolarHBondContact OD2-CE 3.49Å; D85-K89 IonicContact OD2-NZ 2.81Å; D85-K89 PolarHBondContact OD2-NZ 3.39Å; V87-K89 PolarHBondContact O-N 3.09Å
90	P	63.8	Low	77.1	Confident	106 Å²	106	57.9 Å²	57.9	69%	0.688	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-59.2	153.1	164.4	27.8	-35.1	0	0	0	110.3	L92	P90-L92 PolarHBondContact O-N 3.42Å
91	P	70.2	Confident	77.6	Confident	51 Å²	51	58.2 Å²	58.2	33%	0.331	31%	0.314	S	S	.	.			trans	-55	111	174.7	-25.6	35.4	0	0	0	111.8	L78 P253	L78-P91 HydrophobicContact CD1-CB 3.81Å; P91-P253 HydrophobicContact CB-CG 4.43Å
92	L	81.4	Confident	78.1	Confident	66 Å²	66	59.2 Å²	59.2	35%	0.346	33%	0.33	S	S	.	.			trans	-100.9	107.1	175.7	179.9	62.1	0	0	0	109.3	L79 P90	L79-L92 WeakPolarHBondContact CB-O 3.46Å; L79-L92 HydrophobicContact CD2-CD2 4.13Å; L79-L92 PolarHBondContact N-O 2.98Å; L79-L92 VanDerWaalsContact N-O 3.08Å; P90-L92 PolarHBondContact O-N 3.42Å
93	Y	88.5	Confident	78.7	Confident	6 Å²	6	57.2 Å²	57.2	2%	0.024	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	140	168.3	-64.2	-69.7	0	0	0	110	R76 Y77 L78 N115 L189 N194 E397 D398	R76-Y93 HydrophobicContact CG-CD1 4.31Å; R76-Y93 HydrophobicContact CG-CG 4.45Å; Y77-Y93 CarbonylContact O-C 3.59Å; Y77-Y93 WeakPolarHBondContact O-CA 3.32Å; L78-Y93 HydrophobicContact CB-CD1 3.96Å; L78-Y93 HydrophobicContact CB-CE1 3.89Å; L78-Y93 HydrophobicContact CD1-CD1 4.12Å; L78-Y93 HydrophobicContact CD1-CE1 4.06Å; L78-Y93 HydrophobicContact CG-CE1 4.38Å; Y93-N115 PolarHBondContact O-ND2 2.8Å; Y93-L189 HydrophobicContact CD1-CD1 4.12Å; Y93-L189 HydrophobicContact CE1-CD1 3.66Å; Y93-N194 PolarHBondContact OH-ND2 2.81Å; Y93-N194 VanDerWaalsContact OH-ND2 3.08Å; Y93-E397 HydrophobicContact CD2-CB 3.75Å; Y93-E397 WeakPolarHBondContact CD2-OE2 3.18Å; Y93-E397 HydrophobicContact CE2-CB 3.8Å; Y93-E397 WeakPolarHBondContact CE2-O 3.03Å; Y93-D398 PolarHBondContact OH-OD1 2.87Å
94	C	91.7	Very high	79.7	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	161.7	178.4	-78.9	0	0	0	0	109.7	R76 Y77 Y109	R76-C94 WeakPolarHBondContact CA-O 3.43Å; Y77-C94 HydrophobicContact CD1-CB 4.4Å; Y77-C94 WeakPolarHBondContact CD1-O 3.45Å; Y77-C94 HydrophobicContact CD2-CB 4.2Å; Y77-C94 HydrophobicContact CE1-CB 3.83Å; Y77-C94 HydrophobicContact CE2-CB 3.59Å; Y77-C94 PolarHBondContact N-O 2.88Å; Y77-C94 PolarHBondContact O-N 3.45Å; C94-Y109 HydrophobicContact CB-CE2 4.05Å
95	Y	94.9	Very high	81	Confident	8 Å²	8	45.8 Å²	45.8	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.8	-173.1	-61.8	-85.8	0	0	0	111	V74 Q75 R76 L110 N115 V118 Y119 L191	V74-Y95 HydrophobicContact CG1-CD1 3.94Å; Q75-Y95 WeakPolarHBondContact O-CA 3.41Å; R76-Y95 HydrophobicContact CB-CD1 3.98Å; R76-Y95 HydrophobicContact CB-CE1 3.63Å; R76-Y95 WeakPolarHBondContact CD-OH 3.41Å; R76-Y95 HydrophobicContact CG-CD1 4.18Å; R76-Y95 HydrophobicContact CG-CE1 3.52Å; Y95-L110 WeakPolarHBondContact O-CB 3.37Å; Y95-L110 PolarHBondContact O-N 2.96Å; Y95-N115 WeakPolarHBondContact CD2-OD1 3.39Å; Y95-N115 HydrophobicContact CE2-CB 4.5Å; Y95-V118 HydrophobicContact CD1-CG1 3.95Å; Y95-V118 HydrophobicContact CD1-CG2 4.46Å; Y95-V118 HydrophobicContact CD2-CG2 4.42Å; Y95-V118 HydrophobicContact CE1-CB 4.41Å; Y95-V118 HydrophobicContact CE1-CG1 3.62Å; Y95-V118 HydrophobicContact CE2-CB 4.49Å; Y95-V118 HydrophobicContact CG-CG2 4.27Å; Y95-Y119 AromaticContact CE2-CE1 3.94Å; Y95-Y119 HydrophobicContact CE2-CE1 3.94Å; Y95-Y119 WeakPolarHBondContact OH-CE1 3.39Å; Y95-L191 HydrophobicContact CD1-CD1 4.15Å; Y95-L191 HydrophobicContact CE1-CD1 3.66Å
96	D	95.1	Very high	82.2	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.8	162.5	-67.9	-24	0	0	0	108.7	Q75 Y77 K107 C108 P180 L181 Y188	Q75-D96 PolarHBondContact N-O 2.81Å; Q75-D96 PolarHBondContact O-N 3.39Å; Y77-D96 WeakPolarHBondContact CE1-OD1 3.37Å; D96-K107 HydrophobicContact CB-CD 4.07Å; D96-K107 HydrophobicContact CB-CG 4.09Å; D96-C108 CarbonylContact C-O 3.54Å; D96-C108 WeakPolarHBondContact CA-O 3.48Å; D96-P180 VanDerWaalsContact OD2-CA 3.3Å; D96-P180 WeakPolarHBondContact OD2-CA 3.35Å; D96-L181 HydrophobicContact CB-CD1 4.4Å; D96-L181 WeakPolarHBondContact OD1-CB 3.3Å; D96-L181 WeakPolarHBondContact OD1-CD1 3.14Å; D96-L181 PolarHBondContact OD2-N 3.49Å; D96-Y188 HydrophobicContact CB-CE1 4.1Å; D96-Y188 VanDerWaalsContact OD2-CE1 3.28Å; D96-Y188 WeakPolarHBondContact OD2-CE1 3.39Å; D96-Y188 PolarHBondContact OD2-OH 2.86Å
97	V	95.8	Very high	83.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.8	179.9	-175.3	0	0	0	0	108.6	V71 A73 I99 C108 L110 L123 M129 I150	V71-V97 HydrophobicContact CG1-CG1 3.93Å; A73-V97 WeakPolarHBondContact O-CA 3.32Å; V97-I99 HydrophobicContact CG1-CG2 3.93Å; V97-C108 PolarHBondContact N-O 3Å; V97-C108 PolarHBondContact O-N 3.02Å; V97-L110 HydrophobicContact CG2-CB 4.12Å; V97-L110 HydrophobicContact CG2-CD1 4.36Å; V97-L123 HydrophobicContact CG2-CD2 4.27Å; V97-M129 HydrophobicContact CG1-CE 4.22Å; V97-I150 HydrophobicContact CB-CD1 4.47Å
98	T	94.1	Very high	85	Confident	6 Å²	6	32.2 Å²	32.2	4%	0.037	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.7	173.1	-55.4	0	0	0	0	109.2	L72 A73 E106 F168	L72-T98 HydrophobicContact CB-CG2 4.24Å; L72-T98 PolarHBondContact N-O 3.35Å; A73-T98 PolarHBondContact N-O 2.88Å; A73-T98 PolarHBondContact O-N 2.83Å; T98-E106 WeakPolarHBondContact CA-O 3.33Å; T98-F168 HydrophobicContact CG2-CE1 3.82Å; T98-F168 HydrophobicContact CG2-CZ 3.76Å
99	I	92.8	Very high	86.5	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	153.5	-174.1	65.7	169.1	0	0	0	111.1	I46 V69 T70 V97 Q105 E106 M129 I131 I150	I46-I99 HydrophobicContact CD1-CD1 4.02Å; I46-I99 HydrophobicContact CD1-CG1 3.98Å; I46-I99 HydrophobicContact CG1-CD1 4.19Å; V69-I99 HydrophobicContact CG2-CB 4.27Å; V69-I99 HydrophobicContact CG2-CD1 4.37Å; T70-I99 CarbonylContact O-C 3.55Å; T70-I99 WeakPolarHBondContact O-CA 3.41Å; V97-I99 HydrophobicContact CG1-CG2 3.93Å; I99-Q105 VanDerWaalsContact O-CA 3.3Å; I99-Q105 WeakPolarHBondContact O-CA 3.3Å; I99-E106 HydrophobicContact CG1-CB 4.37Å; I99-E106 PolarHBondContact N-O 2.77Å; I99-E106 PolarHBondContact O-N 2.88Å; I99-E106 VanDerWaalsContact O-N 3.1Å; I99-M129 HydrophobicContact CG2-CE 3.39Å; I99-I131 HydrophobicContact CD1-CD1 3.89Å; I99-I150 HydrophobicContact CG2-CD1 4.45Å
100	S	90.7	Very high	87.9	Confident	4 Å²	4	22.7 Å²	22.7	3%	0.028	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	137.7	171.8	-177.8	0	0	0	0	112.3	V69 T70 G102 Y104 T166	V69-S100 CarbonylContact C-O 3.52Å; V69-S100 WeakPolarHBondContact CA-O 3.46Å; T70-S100 PolarHBondContact N-O 3.13Å; T70-S100 PolarHBondContact O-N 2.84Å; S100-G102 PolarHBondContact OG-N 2.57Å; S100-G102 VanDerWaalsContact OG-N 3.15Å; S100-Y104 WeakPolarHBondContact CA-O 3.26Å; S100-Y104 PolarHBondContact OG-O 3.24Å; S100-T166 PolarHBondContact OG-OG1 3.35Å
101	D	88.4	Confident	89.3	Confident	33 Å²	33	20.2 Å²	20.2	18%	0.176	12%	0.116	C	C	.	.			trans	-97.1	13.3	170.5	66.7	0.1	0	0	0	112.9	S44 W45 I46 V69 V103 Y104	S44-D101 WeakPolarHBondContact CA-OD2 3.22Å; S44-D101 VanDerWaalsContact CB-OD2 3.27Å; S44-D101 WeakPolarHBondContact CB-OD2 3.43Å; S44-D101 PolarHBondContact OG-OD2 2.97Å; W45-D101 PolarHBondContact N-OD2 3.47Å; I46-D101 HydrophobicContact CD1-CB 3.94Å; I46-D101 HydrophobicContact CG1-CB 4.02Å; I46-D101 PolarHBondContact N-OD2 2.88Å; I46-D101 VanDerWaalsContact N-OD2 3.08Å; V69-D101 HydrophobicContact CG1-CB 4.08Å; D101-V103 PolarHBondContact O-N 2.97Å; D101-V103 WeakPolarHBondContact OD1-CA 3.23Å; D101-V103 WeakPolarHBondContact OD1-CB 3.25Å; D101-V103 PolarHBondContact OD1-N 3.01Å; D101-Y104 PolarHBondContact N-O 3.35Å; D101-Y104 PolarHBondContact OD1-N 2.95Å
102	G	84.1	Confident	90.2	Very high	47 Å²	47	19.9 Å²	19.9	49%	0.485	11%	0.114	S	C	.	.	S	Bend	trans	79.8	-3.4	-174.4	0	0	0	0	0	114.2	S100 T166	S100-G102 PolarHBondContact OG-N 2.57Å; S100-G102 VanDerWaalsContact OG-N 3.15Å; G102-T166 VanDerWaalsContact O-CG2 3.26Å; G102-T166 WeakPolarHBondContact O-CG2 3.47Å
103	V	83.8	Confident	90.7	Very high	45 Å²	45	20.7 Å²	20.7	27%	0.273	13%	0.126	S	C	.	.	S	Bend	trans	-118.9	-41.8	175.3	-166.2	0	0	0	0	111.5	P42 D101 P167	P42-V103 HydrophobicContact CG-CG2 4.23Å; D101-V103 PolarHBondContact O-N 2.97Å; D101-V103 WeakPolarHBondContact OD1-CA 3.23Å; D101-V103 WeakPolarHBondContact OD1-CB 3.25Å; D101-V103 PolarHBondContact OD1-N 3.01Å; V103-P167 WeakPolarHBondContact O-CD 3.35Å
104	Y	83.9	Confident	91	Very high	72 Å²	72	21.4 Å²	21.4	28%	0.282	13%	0.13	S	C	.	.			trans	-135.1	160.5	177.1	-74	-92.2	0	0	0	112.7	Q47 S100 D101 P167	Q47-Y104 HydrophobicContact CG-CD2 4.33Å; Q47-Y104 HydrophobicContact CG-CE2 4.45Å; Q47-Y104 PolarHBondContact NE2-OH 3.39Å; S100-Y104 WeakPolarHBondContact CA-O 3.26Å; S100-Y104 PolarHBondContact OG-O 3.24Å; D101-Y104 PolarHBondContact N-O 3.35Å; D101-Y104 PolarHBondContact OD1-N 2.95Å; Y104-P167 WeakPolarHBondContact CA-O 3.37Å; Y104-P167 HydrophobicContact CD1-CG 4.07Å; Y104-P167 WeakPolarHBondContact CD1-O 3.4Å; Y104-P167 HydrophobicContact CE1-CG 4.08Å
105	Q	88.3	Confident	91	Very high	14 Å²	14	21.7 Å²	21.7	7%	0.065	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	142.1	166.7	-59	-175.6	24.8	0	0	111.3	L72 I99 L164 T166 P167 F168 R169	L72-Q105 HydrophobicContact CD1-CG 3.79Å; I99-Q105 VanDerWaalsContact O-CA 3.3Å; I99-Q105 WeakPolarHBondContact O-CA 3.3Å; Q105-L164 PolarHBondContact NE2-O 3.47Å; Q105-T166 VanDerWaalsContact CD-O 3.31Å; Q105-T166 WeakPolarHBondContact CG-O 3.49Å; Q105-T166 VanDerWaalsContact CG-OG1 3.26Å; Q105-T166 WeakPolarHBondContact CG-OG1 3.24Å; Q105-T166 PolarHBondContact NE2-O 3.18Å; Q105-T166 PolarHBondContact NE2-OG1 3.3Å; Q105-P167 PolarHBondContact N-O 3.06Å; Q105-F168 HydrophobicContact CB-CD1 3.93Å; Q105-F168 HydrophobicContact CB-CD2 4.14Å; Q105-F168 HydrophobicContact CB-CE1 3.99Å; Q105-F168 HydrophobicContact CB-CE2 4.19Å; Q105-F168 HydrophobicContact CB-CG 4.02Å; Q105-F168 HydrophobicContact CB-CZ 4.13Å; Q105-F168 WeakPolarHBondContact O-CA 3.44Å; Q105-F168 VanDerWaalsContact OE1-CZ 3.31Å; Q105-R169 PolarHBondContact O-N 3.31Å; Q105-R169 VanDerWaalsContact O-N 3.14Å
106	E	88	Confident	90.9	Very high	6 Å²	6	24.1 Å²	24.1	3%	0.028	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	146	168.9	-172.2	59	-76.3	0	0	110.2	I46 T98 I99 L148 R169 H173	I46-E106 HydrophobicContact CG2-CB 3.85Å; I46-E106 HydrophobicContact CG2-CG 4.48Å; T98-E106 WeakPolarHBondContact CA-O 3.33Å; I99-E106 HydrophobicContact CG1-CB 4.37Å; I99-E106 PolarHBondContact N-O 2.77Å; I99-E106 PolarHBondContact O-N 2.88Å; I99-E106 VanDerWaalsContact O-N 3.1Å; E106-L148 HydrophobicContact CG-CD2 4.31Å; E106-R169 WeakPolarHBondContact OE2-CD 3.48Å; E106-R169 IonicContact OE2-NH1 3.92Å; E106-R169 PolarHBondContact OE2-NH1 2.89Å; E106-H173 IonicContact OE1-CE1 2.95Å; E106-H173 PolarHBondContact OE1-CE1 2.91Å; E106-H173 IonicContact OE1-ND1 2.76Å; E106-H173 PolarHBondContact OE1-ND1 3.42Å
107	K	90.8	Very high	90.9	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.026	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.9	173.8	-168.7	-176	-80.7	-164.3	0	108.4	Q75 D96 L181 Y188	Q75-K107 VanDerWaalsContact OE1-CE 3.24Å; D96-K107 HydrophobicContact CB-CD 4.07Å; D96-K107 HydrophobicContact CB-CG 4.09Å; K107-L181 HydrophobicContact CB-CD1 4.41Å; K107-L181 HydrophobicContact CD-CD1 4.25Å; K107-L181 HydrophobicContact CD-CD2 4.23Å; K107-L181 HydrophobicContact CD-CG 4.05Å; K107-L181 HydrophobicContact CG-CD1 3.9Å; K107-L181 HydrophobicContact CG-CG 4.26Å; K107-Y188 WeakPolarHBondContact CD-OH 3.46Å; K107-Y188 PolarHBondContact NZ-OH 3.04Å
108	C	91.9	Very high	90.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	147.2	-174.7	-50.6	0	0	0	0	110.6	D96 V97 L148 I150 L181	D96-C108 CarbonylContact C-O 3.54Å; D96-C108 WeakPolarHBondContact CA-O 3.48Å; V97-C108 PolarHBondContact N-O 3Å; V97-C108 PolarHBondContact O-N 3.02Å; C108-L148 CarbonylContact C-O 3.57Å; C108-L148 VanDerWaalsContact CA-O 3.26Å; C108-L148 WeakPolarHBondContact CA-O 3.45Å; C108-I150 HydrophobicContact CB-CD1 3.54Å; C108-I150 HydrophobicContact CB-CG1 3.76Å; C108-L181 VanDerWaalsContact C-CD1 3.48Å
109	Y	92.6	Very high	90.8	Very high	6 Å²	6	27.1 Å²	27.1	2%	0.024	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	136.9	165.3	176.3	-116.7	0	0	0	109.4	Y77 C94 P112 L137 L148 C149 I150 R182	Y77-Y109 VanDerWaalsContact OH-CD2 3.28Å; Y77-Y109 WeakPolarHBondContact OH-CD2 3.29Å; Y77-Y109 VanDerWaalsContact OH-CE2 3.24Å; Y77-Y109 WeakPolarHBondContact OH-CE2 3.4Å; C94-Y109 HydrophobicContact CB-CE2 4.05Å; Y109-P112 WeakPolarHBondContact OH-CG 3.42Å; Y109-L137 HydrophobicContact CD1-CD1 3.54Å; Y109-L137 HydrophobicContact CE1-CD1 3.86Å; Y109-L148 PolarHBondContact N-O 3.42Å; Y109-C149 HydrophobicContact CD1-CB 4.28Å; Y109-C149 CarbonylContact O-C 3.56Å; Y109-C149 WeakPolarHBondContact O-CA 3.42Å; Y109-I150 PolarHBondContact O-N 2.76Å; Y109-R182 HydrophobicContact CD2-CG 4.36Å; Y109-R182 PolarHBondContact OH-NH1 2.8Å
110	L	95	Very high	90.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	130.1	170.6	-170.3	68.8	0	0	0	109.7	Y95 V97 L114 V118 L123 I150	Y95-L110 WeakPolarHBondContact O-CB 3.37Å; Y95-L110 PolarHBondContact O-N 2.96Å; V97-L110 HydrophobicContact CG2-CB 4.12Å; V97-L110 HydrophobicContact CG2-CD1 4.36Å; L110-L114 HydrophobicContact CD1-CB 3.8Å; L110-L114 HydrophobicContact CD1-CD1 3.75Å; L110-L114 HydrophobicContact CD1-CG 4.43Å; L110-L114 HydrophobicContact CD2-CB 4.24Å; L110-L114 HydrophobicContact CG-CB 3.95Å; L110-V118 HydrophobicContact CD2-CG2 3.73Å; L110-L123 HydrophobicContact CD1-CD2 3.78Å; L110-L123 HydrophobicContact CD2-CD2 3.77Å; L110-L123 HydrophobicContact CG-CD2 4.45Å; L110-I150 HydrophobicContact CD1-CB 4.3Å; L110-I150 HydrophobicContact CD1-CG2 4.06Å
111	D	92.6	Very high	91	Very high	53 Å²	53	28.9 Å²	28.9	28%	0.283	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-63.9	135.6	172.1	-176.6	-91.9	0	0	0	110.9	S113 L114 I150	D111-S113 PolarHBondContact O-N 3.22Å; D111-S113 WeakPolarHBondContact OD1-CB 3.45Å; D111-S113 PolarHBondContact OD1-N 3.29Å; D111-S113 PolarHBondContact OD1-OG 2.97Å; D111-L114 WeakPolarHBondContact O-CB 3.38Å; D111-L114 PolarHBondContact O-N 3.16Å; D111-I150 WeakPolarHBondContact CB-O 3.37Å; D111-I150 PolarHBondContact N-O 2.98Å; D111-I150 VanDerWaalsContact N-O 3.13Å
112	P	90.4	Very high	91.3	Very high	44 Å²	44	28.7 Å²	28.7	29%	0.286	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-57.6	-21.8	-177.6	-28.4	36.8	0	0	0	115.7	Y109 L114 N115	Y109-P112 WeakPolarHBondContact OH-CG 3.42Å; P112-L114 PolarHBondContact O-N 3.28Å; P112-N115 WeakPolarHBondContact O-CB 3.37Å; P112-N115 PolarHBondContact O-N 3.1Å; P112-N115 VanDerWaalsContact O-N 3.15Å
113	S	91.4	Very high	91.9	Very high	84 Å²	84	26.6 Å²	26.6	59%	0.587	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-63.8	-21.7	172.7	63.8	0	0	0	0	113.2	D111	D111-S113 PolarHBondContact O-N 3.22Å; D111-S113 WeakPolarHBondContact OD1-CB 3.45Å; D111-S113 PolarHBondContact OD1-N 3.29Å; D111-S113 PolarHBondContact OD1-OG 2.97Å
114	L	94.6	Very high	92.4	Very high	21 Å²	21	26.4 Å²	26.4	11%	0.11	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-94.5	-0.9	176.5	-55.8	-180	0	0	0	113.5	L110 D111 P112 S116 L117 I150 V153	L110-L114 HydrophobicContact CD1-CB 3.8Å; L110-L114 HydrophobicContact CD1-CD1 3.75Å; L110-L114 HydrophobicContact CD1-CG 4.43Å; L110-L114 HydrophobicContact CD2-CB 4.24Å; L110-L114 HydrophobicContact CG-CB 3.95Å; D111-L114 WeakPolarHBondContact O-CB 3.38Å; D111-L114 PolarHBondContact O-N 3.16Å; P112-L114 PolarHBondContact O-N 3.28Å; L114-S116 PolarHBondContact O-N 3.14Å; L114-S116 VanDerWaalsContact O-N 3.13Å; L114-L117 HydrophobicContact CB-CD1 4.32Å; L114-L117 HydrophobicContact CD2-CD1 4.17Å; L114-L117 WeakPolarHBondContact O-CB 3.21Å; L114-L117 PolarHBondContact O-N 2.91Å; L114-I150 HydrophobicContact CD1-CG2 4.01Å; L114-I150 WeakPolarHBondContact CD1-O 3.39Å; L114-V153 HydrophobicContact CD1-CG2 4.39Å
115	N	93	Very high	92.9	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.027	13%	0.132	C	C	.	.	H	α-helix	trans	-54.3	-33.5	177	-86.6	18.6	0	0	0	112.3	Y93 Y95 P112 L117 V118 Y119	Y93-N115 PolarHBondContact O-ND2 2.8Å; Y95-N115 WeakPolarHBondContact CD2-OD1 3.39Å; Y95-N115 HydrophobicContact CE2-CB 4.5Å; P112-N115 WeakPolarHBondContact O-CB 3.37Å; P112-N115 PolarHBondContact O-N 3.1Å; P112-N115 VanDerWaalsContact O-N 3.15Å; N115-L117 PolarHBondContact O-N 2.95Å; N115-V118 WeakPolarHBondContact O-CA 3.38Å; N115-V118 PolarHBondContact O-N 2.92Å; N115-Y119 HydrophobicContact CB-CE1 4.08Å; N115-Y119 HydrophobicContact CB-CE2 4.08Å; N115-Y119 PolarHBondContact ND2-OH 3.01Å; N115-Y119 WeakPolarHBondContact O-CD1 3.49Å; N115-Y119 PolarHBondContact O-N 2.94Å
116	S	91.8	Very high	93	Very high	60 Å²	60	23 Å²	23	42%	0.42	13%	0.131	S	C	.	.	H	α-helix	trans	-54.2	-35.6	175.4	56.3	0	0	0	0	112.9	L114 V118 Y119 Q120	L114-S116 PolarHBondContact O-N 3.14Å; L114-S116 VanDerWaalsContact O-N 3.13Å; S116-V118 VanDerWaalsContact C-N 3.29Å; S116-V118 PolarHBondContact O-N 3.47Å; S116-Y119 PolarHBondContact O-N 2.88Å; S116-Q120 VanDerWaalsContact O-CB 3.24Å; S116-Q120 WeakPolarHBondContact O-CB 3.33Å; S116-Q120 VanDerWaalsContact O-CG 3.28Å; S116-Q120 WeakPolarHBondContact O-CG 3.26Å; S116-Q120 PolarHBondContact O-N 2.89Å
117	L	94.9	Very high	93.2	Very high	34 Å²	34	22.9 Å²	22.9	18%	0.178	13%	0.13	C	C	.	.	H	α-helix	trans	-65.9	-32.4	176.4	-57.5	-179.9	0	0	0	112	L114 N115 N121 I122 L123 V153	L114-L117 HydrophobicContact CB-CD1 4.32Å; L114-L117 HydrophobicContact CD2-CD1 4.17Å; L114-L117 WeakPolarHBondContact O-CB 3.21Å; L114-L117 PolarHBondContact O-N 2.91Å; N115-L117 PolarHBondContact O-N 2.95Å; L117-N121 PolarHBondContact O-N 3.06Å; L117-I122 HydrophobicContact CB-CB 4.43Å; L117-I122 HydrophobicContact CD2-CB 4.36Å; L117-I122 HydrophobicContact CD2-CD1 3.98Å; L117-I122 HydrophobicContact CD2-CG2 4.27Å; L117-I122 PolarHBondContact O-N 2.92Å; L117-L123 HydrophobicContact CB-CB 3.68Å; L117-L123 PolarHBondContact O-N 3.35Å; L117-V153 HydrophobicContact CD1-CG2 3.57Å
118	V	95	Very high	93.3	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-78.9	-42.1	175	-173.6	0	0	0	0	110.4	V74 Y95 L110 N115 S116 Q120 N121 L123 L191 W192	V74-V118 HydrophobicContact CG1-CG1 3.94Å; V74-V118 HydrophobicContact CG1-CG2 4.15Å; Y95-V118 HydrophobicContact CD1-CG1 3.95Å; Y95-V118 HydrophobicContact CD1-CG2 4.46Å; Y95-V118 HydrophobicContact CD2-CG2 4.42Å; Y95-V118 HydrophobicContact CE1-CB 4.41Å; Y95-V118 HydrophobicContact CE1-CG1 3.62Å; Y95-V118 HydrophobicContact CE2-CB 4.49Å; Y95-V118 HydrophobicContact CG-CG2 4.27Å; L110-V118 HydrophobicContact CD2-CG2 3.73Å; N115-V118 WeakPolarHBondContact O-CA 3.38Å; N115-V118 PolarHBondContact O-N 2.92Å; S116-V118 VanDerWaalsContact C-N 3.29Å; S116-V118 PolarHBondContact O-N 3.47Å; V118-Q120 VanDerWaalsContact C-N 3.3Å; V118-Q120 PolarHBondContact O-N 3.25Å; V118-N121 PolarHBondContact O-N 3.17Å; V118-L123 HydrophobicContact CG2-CB 4.25Å; V118-L123 HydrophobicContact CG2-CD2 4.01Å; V118-L123 HydrophobicContact CG2-CG 4.23Å; V118-L191 HydrophobicContact CG1-CD1 4.24Å; V118-W192 WeakPolarHBondContact O-CH2 3.41Å
119	Y	92.4	Very high	93.4	Very high	34 Å²	34	26.1 Å²	26.1	13%	0.133	15%	0.146	C	C	.	.	H	α-helix	trans	-60.5	-39.8	176.9	-60.7	-10.8	0	0	0	112	Y95 N115 S116 N121 E397 Y544	Y95-Y119 AromaticContact CE2-CE1 3.94Å; Y95-Y119 HydrophobicContact CE2-CE1 3.94Å; Y95-Y119 WeakPolarHBondContact OH-CE1 3.39Å; N115-Y119 HydrophobicContact CB-CE1 4.08Å; N115-Y119 HydrophobicContact CB-CE2 4.08Å; N115-Y119 PolarHBondContact ND2-OH 3.01Å; N115-Y119 WeakPolarHBondContact O-CD1 3.49Å; N115-Y119 PolarHBondContact O-N 2.94Å; S116-Y119 PolarHBondContact O-N 2.88Å; Y119-N121 VanDerWaalsContact C-N 3.29Å; Y119-E397 WeakPolarHBondContact CE2-OE1 3.28Å; Y119-E397 PolarHBondContact OH-OE1 3.12Å; Y119-E397 PolarHBondContact OH-OE2 2.98Å; Y119-Y544 WeakPolarHBondContact O-CB 3.26Å; Y119-Y544 PolarHBondContact O-N 3.33Å
120	Q	93.3	Very high	93.4	Very high	39 Å²	39	32.8 Å²	32.8	18%	0.182	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	2.2	174.9	-65.1	-65.2	-19.8	0	0	113.1	S116 V118 I122 E540 L542 N835 G837 N838	S116-Q120 VanDerWaalsContact O-CB 3.24Å; S116-Q120 WeakPolarHBondContact O-CB 3.33Å; S116-Q120 VanDerWaalsContact O-CG 3.28Å; S116-Q120 WeakPolarHBondContact O-CG 3.26Å; S116-Q120 PolarHBondContact O-N 2.89Å; V118-Q120 VanDerWaalsContact C-N 3.3Å; V118-Q120 PolarHBondContact O-N 3.25Å; Q120-I122 HydrophobicContact CB-CD1 3.67Å; Q120-I122 HydrophobicContact CB-CG1 3.9Å; Q120-I122 HydrophobicContact CG-CD1 4.5Å; Q120-I122 PolarHBondContact O-N 2.81Å; Q120-I122 VanDerWaalsContact O-N 3.11Å; Q120-E540 PolarHBondContact NE2-O 3.18Å; Q120-L542 PolarHBondContact NE2-O 3.26Å; Q120-L542 VanDerWaalsContact NE2-O 3.13Å; Q120-N835 PolarHBondContact OE1-ND2 3.08Å; Q120-G837 CarbonylContact O-C 3.55Å; Q120-G837 WeakPolarHBondContact O-CA 3.44Å; Q120-N838 PolarHBondContact O-N 3.3Å
121	N	95.1	Very high	93.2	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	36.2	179.6	-176	49.8	0	0	0	113.4	L117 V118 Y119 K124 W192 Y544 Q725	L117-N121 PolarHBondContact O-N 3.06Å; V118-N121 PolarHBondContact O-N 3.17Å; Y119-N121 VanDerWaalsContact C-N 3.29Å; N121-K124 WeakPolarHBondContact OD1-CB 3.36Å; N121-W192 HydrophobicContact CB-CH2 4.21Å; N121-Y544 HydrophobicContact CB-CD1 3.84Å; N121-Y544 HydrophobicContact CB-CD2 3.74Å; N121-Y544 HydrophobicContact CB-CE1 4.42Å; N121-Y544 HydrophobicContact CB-CE2 4.34Å; N121-Y544 HydrophobicContact CB-CG 3.44Å; N121-Y544 VanDerWaalsContact CB-CG 3.44Å; N121-Y544 VanDerWaalsContact ND2-CE2 3.25Å; N121-Y544 WeakPolarHBondContact ND2-CE2 3.36Å; N121-Q725 WeakPolarHBondContact ND2-CG 3.49Å; N121-Q725 VanDerWaalsContact OD1-CG 3.32Å; N121-Q725 WeakPolarHBondContact OD1-CG 3.31Å
122	I	95.1	Very high	93.2	Very high	29 Å²	29	31.9 Å²	31.9	15%	0.149	17%	0.168	C	C	.	.	S	Bend	trans	-84.3	-48.4	169.9	-59.8	162.6	0	0	0	108.3	L117 Q120 I127 C155 N839	L117-I122 HydrophobicContact CB-CB 4.43Å; L117-I122 HydrophobicContact CD2-CB 4.36Å; L117-I122 HydrophobicContact CD2-CD1 3.98Å; L117-I122 HydrophobicContact CD2-CG2 4.27Å; L117-I122 PolarHBondContact O-N 2.92Å; Q120-I122 HydrophobicContact CB-CD1 3.67Å; Q120-I122 HydrophobicContact CB-CG1 3.9Å; Q120-I122 HydrophobicContact CG-CD1 4.5Å; Q120-I122 PolarHBondContact O-N 2.81Å; Q120-I122 VanDerWaalsContact O-N 3.11Å; I122-I127 WeakPolarHBondContact O-CD1 3.42Å; I122-C155 HydrophobicContact CG2-CB 3.78Å; I122-N839 WeakPolarHBondContact CD1-OD1 3.34Å
123	L	95.3	Very high	93.2	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	18%	0.176	C	C	.	.	S	Bend	trans	-88.5	108	170.5	177.3	57.2	0	0	0	109.2	V71 V97 L110 L117 V118 I127 M129	V71-L123 HydrophobicContact CG1-CD1 4.48Å; V71-L123 HydrophobicContact CG2-CD1 3.91Å; V97-L123 HydrophobicContact CG2-CD2 4.27Å; L110-L123 HydrophobicContact CD1-CD2 3.78Å; L110-L123 HydrophobicContact CD2-CD2 3.77Å; L110-L123 HydrophobicContact CG-CD2 4.45Å; L117-L123 HydrophobicContact CB-CB 3.68Å; L117-L123 PolarHBondContact O-N 3.35Å; V118-L123 HydrophobicContact CG2-CB 4.25Å; V118-L123 HydrophobicContact CG2-CD2 4.01Å; V118-L123 HydrophobicContact CG2-CG 4.23Å; L123-I127 HydrophobicContact CD1-CD1 4.31Å; L123-M129 HydrophobicContact CD1-SD 3.71Å
124	K	94.8	Very high	93.2	Very high	41 Å²	41	31.5 Å²	31.5	18%	0.178	15%	0.148	C	C	.	.			trans	-151	169.8	-175.3	63.6	178.5	-174.6	166.7	0	110.6	V71 N121 I127 Q725	V71-K124 WeakPolarHBondContact CB-O 3.43Å; V71-K124 WeakPolarHBondContact CG1-O 3.34Å; N121-K124 WeakPolarHBondContact OD1-CB 3.36Å; K124-I127 HydrophobicContact CD-CG2 4.43Å; K124-I127 HydrophobicContact CG-CD1 4.47Å; K124-I127 HydrophobicContact CG-CG2 3.77Å; K124-I127 WeakPolarHBondContact O-CG1 3.24Å; K124-Q725 HydrophobicContact CD-CG 4.08Å; K124-Q725 VanDerWaalsContact NZ-OE1 3.16Å
125	V	93.9	Very high	93	Very high	12 Å²	12	31.3 Å²	31.3	7%	0.073	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	150.9	177.9	-55.4	0	0	0	0	112.3	V71 V74 I127 P726	V71-V125 WeakPolarHBondContact O-CA 3.48Å; V74-V125 HydrophobicContact CG2-CG1 4.34Å; V125-I127 VanDerWaalsContact C-N 3.34Å; V125-I127 PolarHBondContact O-N 2.95Å; V125-P726 HydrophobicContact CG2-CG 3.99Å; V125-P726 VanDerWaalsContact CG2-O 3.24Å; V125-P726 WeakPolarHBondContact CG2-O 3.46Å
126	G	91.8	Very high	92.7	Very high	3 Å²	3	31.9 Å²	31.9	3%	0.031	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-4.4	176.3	0	0	0	0	0	116	V71 S159 Y729	V71-G126 PolarHBondContact O-N 2.95Å; G126-S159 PolarHBondContact O-N 2.76Å; G126-Y729 VanDerWaalsContact CA-CD2 3.49Å
127	I	92.7	Very high	92.2	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	158.3	174.3	75.5	-173.4	0	0	0	111.6	T70 V71 I122 L123 K124 V125 C155	T70-I127 WeakPolarHBondContact CA-O 3.28Å; V71-I127 HydrophobicContact CB-CG1 4.25Å; V71-I127 HydrophobicContact CG2-CD1 4.38Å; V71-I127 HydrophobicContact CG2-CG1 3.82Å; V71-I127 PolarHBondContact N-O 3.28Å; I122-I127 WeakPolarHBondContact O-CD1 3.42Å; L123-I127 HydrophobicContact CD1-CD1 4.31Å; K124-I127 HydrophobicContact CD-CG2 4.43Å; K124-I127 HydrophobicContact CG-CD1 4.47Å; K124-I127 HydrophobicContact CG-CG2 3.77Å; K124-I127 WeakPolarHBondContact O-CG1 3.24Å; V125-I127 VanDerWaalsContact C-N 3.34Å; V125-I127 PolarHBondContact O-N 2.95Å; I127-C155 HydrophobicContact CD1-CB 3.96Å
128	Q	92.6	Very high	91.4	Very high	72 Å²	72	35.5 Å²	35.5	34%	0.336	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	144.2	158.3	-60.2	-171	3	0	0	110.1	P68 V69 G156 E157 S159	P68-Q128 HydrophobicContact CB-CB 4.14Å; V69-Q128 CarbonylContact O-C 3.5Å; V69-Q128 WeakPolarHBondContact O-CA 3.38Å; Q128-G156 WeakPolarHBondContact O-CA 3.38Å; Q128-G156 PolarHBondContact O-N 3.27Å; Q128-E157 PolarHBondContact N-O 2.86Å; Q128-S159 PolarHBondContact NE2-OG 3Å; Q128-S159 VanDerWaalsContact NE2-OG 3.09Å
129	M	92.7	Very high	90.1	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.4	169.6	70.6	177.8	-172.7	0	0	111.4	P68 V69 V71 V97 I99 L123 I131 I150 V153 H154	P68-M129 WeakPolarHBondContact CA-O 3.32Å; V69-M129 HydrophobicContact CG2-CE 4.2Å; V69-M129 HydrophobicContact CG2-CG 4.03Å; V69-M129 PolarHBondContact N-O 2.83Å; V69-M129 PolarHBondContact O-N 3.28Å; V71-M129 HydrophobicContact CG2-CE 4.15Å; V71-M129 HydrophobicContact CG2-CG 3.92Å; V71-M129 HydrophobicContact CG2-SD 3.65Å; V97-M129 HydrophobicContact CG1-CE 4.22Å; I99-M129 HydrophobicContact CG2-CE 3.39Å; L123-M129 HydrophobicContact CD1-SD 3.71Å; M129-I131 HydrophobicContact CE-CD1 3.94Å; M129-I131 HydrophobicContact CE-CG1 4.01Å; M129-I150 HydrophobicContact CE-CD1 3.87Å; M129-V153 HydrophobicContact SD-CG1 4.12Å; M129-H154 WeakPolarHBondContact CA-O 3.48Å
130	R	92.4	Very high	89.1	Confident	145 Å²	145	45.4 Å²	45.4	55%	0.547	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	113.3	177.2	-76.3	-178.9	-175.5	133.2	4.2	108.6	V66 P68 V153 H154	V66-R130 HydrophobicContact CG1-CB 3.65Å; V66-R130 HydrophobicContact CG1-CG 4.1Å; P68-R130 HydrophobicContact CB-CG 4.38Å; R130-V153 CarbonylContact O-C 3.55Å; R130-V153 WeakPolarHBondContact O-CA 3.32Å; R130-H154 PolarHBondContact N-O 2.8Å; R130-H154 PolarHBondContact O-N 3.15Å
131	I	92.4	Very high	87.8	Confident	1 Å²	1	51 Å²	51	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	117	-179.7	-46.8	172.9	0	0	0	108.5	W45 V69 I99 M129 V134 I150 N152 V153	W45-I131 HydrophobicContact CH2-CB 4.08Å; W45-I131 HydrophobicContact CH2-CD1 4.28Å; W45-I131 HydrophobicContact CH2-CG1 4.48Å; W45-I131 HydrophobicContact CZ3-CD1 4.29Å; V69-I131 HydrophobicContact CG2-CD1 3.89Å; V69-I131 HydrophobicContact CG2-CG1 4.11Å; I99-I131 HydrophobicContact CD1-CD1 3.89Å; M129-I131 HydrophobicContact CE-CD1 3.94Å; M129-I131 HydrophobicContact CE-CG1 4.01Å; I131-V134 HydrophobicContact CG2-CG1 3.55Å; I131-I150 HydrophobicContact CD1-CD1 4.13Å; I131-I150 HydrophobicContact CD1-CG1 4.34Å; I131-I150 HydrophobicContact CG2-CG2 4.26Å; I131-N152 WeakPolarHBondContact CG2-O 3.22Å; I131-V153 HydrophobicContact CB-CG1 4.4Å; I131-V153 HydrophobicContact CG1-CG1 4.12Å; I131-V153 HydrophobicContact CG2-CG1 4.2Å
132	S	91.1	Very high	86.3	Confident	33 Å²	33	58.2 Å²	58.2	23%	0.231	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-19.9	-176.1	58.9	0	0	0	0	113	T62 P63 N152	T62-S132 WeakPolarHBondContact CG2-O 3.34Å; P63-S132 WeakPolarHBondContact CD-O 3.41Å; S132-N152 PolarHBondContact N-O 3.29Å; S132-N152 WeakPolarHBondContact OG-CB 3.44Å; S132-N152 PolarHBondContact OG-O 2.9Å; S132-N152 PolarHBondContact OG-OD1 2.85Å; S132-N152 VanDerWaalsContact OG-OD1 3.11Å
133	R	91.1	Very high	84.5	Confident	119 Å²	119	65.2 Å²	65.2	45%	0.449	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	140	175.4	-170.8	-172.6	147.5	178.6	-7	111.5	C60 D151 N152	C60-R133 PolarHBondContact SG-NE 2.56Å; C60-R133 VanDerWaalsContact SG-NE 3.42Å; R133-D151 HydrophobicContact CB-CB 4.04Å; R133-D151 HydrophobicContact CG-CB 3.81Å; R133-D151 IonicContact CZ-OD2 2.61Å; R133-D151 VanDerWaalsContact CZ-OD2 3.29Å; R133-D151 IonicContact NE-OD2 3.22Å; R133-D151 PolarHBondContact NE-OD2 2.81Å; R133-D151 IonicContact NH2-OD2 2.73Å; R133-D151 PolarHBondContact NH2-OD2 2.94Å; R133-D151 PolarHBondContact O-N 2.9Å; R133-N152 HydrophobicContact CB-CB 3.8Å; R133-N152 PolarHBondContact N-O 3.05Å; R133-N152 PolarHBondContact O-N 3.23Å
134	V	91.1	Very high	82.6	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.006	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	149.5	179.3	-77.5	0	0	0	0	111.2	V49 I53 C60 V61 P63 I131 L148 C149	V49-V134 HydrophobicContact CG1-CG2 3.72Å; I53-V134 HydrophobicContact CD1-CB 4.1Å; I53-V134 HydrophobicContact CD1-CG2 3.65Å; I53-V134 HydrophobicContact CG1-CG2 4.13Å; C60-V134 CarbonylContact C-O 3.58Å; C60-V134 VanDerWaalsContact CA-O 3.3Å; C60-V134 WeakPolarHBondContact CA-O 3.43Å; C60-V134 PolarHBondContact SG-O 3.25Å; V61-V134 HydrophobicContact CB-CG2 4.29Å; V61-V134 PolarHBondContact N-O 3.21Å; V61-V134 WeakPolarHBondContact O-CG2 3.48Å; V61-V134 PolarHBondContact O-N 2.68Å; P63-V134 HydrophobicContact CG-CG2 4.41Å; I131-V134 HydrophobicContact CG2-CG1 3.55Å; V134-L148 HydrophobicContact CB-CD1 3.94Å; V134-L148 HydrophobicContact CG1-CD1 4.11Å; V134-C149 VanDerWaalsContact CA-O 3.29Å; V134-C149 WeakPolarHBondContact CA-O 3.49Å
135	S	90.4	Very high	81.1	Confident	17 Å²	17	71.4 Å²	71.4	12%	0.119	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	166.9	171.5	62.5	0	0	0	0	111.7	Q59 C149 D151	Q59-S135 CarbonylContact O-C 3.58Å; Q59-S135 WeakPolarHBondContact O-CA 3.46Å; S135-C149 PolarHBondContact N-O 3.37Å; S135-C149 PolarHBondContact O-N 3.16Å; S135-C149 WeakPolarHBondContact OG-CB 3.19Å; S135-D151 WeakPolarHBondContact CB-OD1 3.34Å; S135-D151 WeakPolarHBondContact CB-OD2 3.43Å; S135-D151 PolarHBondContact N-OD1 3.46Å; S135-D151 PolarHBondContact OG-OD1 3.39Å; S135-D151 PolarHBondContact OG-OD2 2.69Å
136	C	86.9	Confident	80.2	Confident	18 Å²	18	72.2 Å²	72.2	12%	0.122	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.2	175.2	-170.5	0	0	0	0	110.2	I53 Q59 Y138 I147	I53-C136 HydrophobicContact CG2-CB 3.58Å; Q59-C136 PolarHBondContact O-N 3.05Å; C136-Y138 HydrophobicContact CB-CE2 3.96Å; C136-Y138 VanDerWaalsContact SG-CE2 3.56Å; C136-Y138 VanDerWaalsContact SG-CZ 3.56Å; C136-I147 CarbonylContact C-O 3.57Å; C136-I147 WeakPolarHBondContact CA-O 3.32Å
137	L	81.9	Confident	79.8	Confident	59 Å²	59	73.2 Å²	73.2	31%	0.309	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	104.6	178.8	-60.2	178.7	0	0	0	109.6	Y109 I147 C149	Y109-L137 HydrophobicContact CD1-CD1 3.54Å; Y109-L137 HydrophobicContact CE1-CD1 3.86Å; L137-I147 HydrophobicContact CB-CB 4.43Å; L137-I147 PolarHBondContact N-O 3.35Å; L137-I147 PolarHBondContact O-N 2.86Å; L137-C149 HydrophobicContact CD1-CB 3.9Å; L137-C149 HydrophobicContact CG-CB 3.9Å
138	Y	76.3	Confident	79.6	Confident	111 Å²	111	73.7 Å²	73.7	44%	0.435	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	128.7	175.5	-69.1	-85.6	0	0	0	111.3	Q59 C136	Q59-Y138 HydrophobicContact CG-CE2 4.15Å; C136-Y138 HydrophobicContact CB-CE2 3.96Å; C136-Y138 VanDerWaalsContact SG-CE2 3.56Å; C136-Y138 VanDerWaalsContact SG-CZ 3.56Å
139	N	69.1	Low	79.6	Confident	55 Å²	55	70.3 Å²	70.3	29%	0.294	35%	0.349	S	S	.	.			trans	-93.4	97.2	167.4	-177	-11.1	0	0	0	108.3	K141 R142	N139-K141 PolarHBondContact O-N 2.69Å; N139-K141 WeakPolarHBondContact OD1-CB 3.4Å; N139-K141 PolarHBondContact OD1-N 2.96Å; N139-R142 PolarHBondContact O-N 3.13Å; N139-R142 VanDerWaalsContact O-O 3.09Å
140	E	71.3	Confident	79.6	Confident	186 Å²	186	70.2 Å²	70.2	87%	0.869	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-17.8	-176.8	-61.6	177.8	160.9	0	0	114.1	R142	E140-R142 PolarHBondContact O-N 2.96Å
141	K	65.7	Low	79.5	Confident	158 Å²	158	64.3 Å²	64.3	69%	0.687	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.4	173.5	-54.4	165.8	-173.5	158.7	0	113.1	E82 N139	E82-K141 IonicContact OE2-NZ 3.48Å; N139-K141 PolarHBondContact O-N 2.69Å; N139-K141 WeakPolarHBondContact OD1-CB 3.4Å; N139-K141 PolarHBondContact OD1-N 2.96Å
142	R	63.2	Low	79.5	Confident	154 Å²	154	67.4 Å²	67.4	58%	0.581	34%	0.344	S	S	*	.	S	Bend	trans	-132.3	121.7	179.8	-65.4	-173.4	-179.4	175	3.1	110.4	N139 E140	N139-R142 PolarHBondContact O-N 3.13Å; N139-R142 VanDerWaalsContact O-O 3.09Å; E140-R142 PolarHBondContact O-N 2.96Å
143	I	57.3	Low	79.6	Confident	176 Å²	176	66.3 Å²	66.3	90%	0.903	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	129.2	-179.6	-59.4	174.6	0	0	0	110.2	Q145	I143-Q145 PolarHBondContact O-N 3.24Å
144	G	56.8	Low	79.7	Confident	78 Å²	78	67 Å²	67	80%	0.804	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	8.6	162.7	0	0	0	0	0	117.7
145	Q	63.2	Low	79.6	Confident	96 Å²	96	68.7 Å²	68.7	45%	0.449	36%	0.356	S	S	.	.			trans	-132.8	109.1	174.6	-67.2	-171.8	-5.5	0	0	111.7	I143	I143-Q145 PolarHBondContact O-N 3.24Å
146	G	75.2	Confident	79.3	Confident	29 Å²	29	69.9 Å²	69.9	30%	0.299	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	144.9	164.1	0	0	0	0	0	110.7
147	I	83.1	Confident	79	Confident	24 Å²	24	77.1 Å²	77.1	12%	0.123	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.3	-177.8	-64.3	162.2	0	0	0	109.2	C136 L137 C149 L181 R182	C136-I147 CarbonylContact C-O 3.57Å; C136-I147 WeakPolarHBondContact CA-O 3.32Å; L137-I147 HydrophobicContact CB-CB 4.43Å; L137-I147 PolarHBondContact N-O 3.35Å; L137-I147 PolarHBondContact O-N 2.86Å; I147-C149 PolarHBondContact O-N 3.41Å; I147-L181 HydrophobicContact CD1-CB 4.27Å; I147-L181 VanDerWaalsContact CD1-O 3.26Å; I147-L181 WeakPolarHBondContact CD1-O 3.46Å; I147-L181 HydrophobicContact CG2-CB 4.2Å; I147-L181 HydrophobicContact CG2-CD1 3.93Å; I147-R182 HydrophobicContact CD1-CG 3.9Å
148	L	88.4	Confident	78.8	Confident	14 Å²	14	79 Å²	79	7%	0.073	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	122	171.7	-176	58.1	0	0	0	109.6	L50 I53 E106 C108 Y109 V134	L50-L148 HydrophobicContact CD2-CB 4.4Å; L50-L148 HydrophobicContact CD2-CD1 4.34Å; L50-L148 HydrophobicContact CD2-CD2 4.04Å; L50-L148 HydrophobicContact CG-CD2 4.5Å; I53-L148 HydrophobicContact CD1-CD1 3.44Å; I53-L148 VanDerWaalsContact CD1-CD1 3.44Å; E106-L148 HydrophobicContact CG-CD2 4.31Å; C108-L148 CarbonylContact C-O 3.57Å; C108-L148 VanDerWaalsContact CA-O 3.26Å; C108-L148 WeakPolarHBondContact CA-O 3.45Å; Y109-L148 PolarHBondContact N-O 3.42Å; V134-L148 HydrophobicContact CB-CD1 3.94Å; V134-L148 HydrophobicContact CG1-CD1 4.11Å
149	C	91.1	Very high	78.7	Confident	1 Å²	1	74.1 Å²	74.1	1%	0.007	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.2	176.4	177.5	0	0	0	0	109.9	Y109 V134 S135 L137 I147 D151	Y109-C149 HydrophobicContact CD1-CB 4.28Å; Y109-C149 CarbonylContact O-C 3.56Å; Y109-C149 WeakPolarHBondContact O-CA 3.42Å; V134-C149 VanDerWaalsContact CA-O 3.29Å; V134-C149 WeakPolarHBondContact CA-O 3.49Å; S135-C149 PolarHBondContact N-O 3.37Å; S135-C149 PolarHBondContact O-N 3.16Å; S135-C149 WeakPolarHBondContact OG-CB 3.19Å; L137-C149 HydrophobicContact CD1-CB 3.9Å; L137-C149 HydrophobicContact CG-CB 3.9Å; I147-C149 PolarHBondContact O-N 3.41Å; C149-D151 PolarHBondContact SG-OD1 3.42Å; C149-D151 VanDerWaalsContact SG-OD1 3.42Å
150	I	93.8	Very high	78.2	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	107.4	177.3	-68.6	175.4	0	0	0	107.8	V97 I99 C108 Y109 L110 D111 L114 M129 I131 V153	V97-I150 HydrophobicContact CB-CD1 4.47Å; I99-I150 HydrophobicContact CG2-CD1 4.45Å; C108-I150 HydrophobicContact CB-CD1 3.54Å; C108-I150 HydrophobicContact CB-CG1 3.76Å; Y109-I150 PolarHBondContact O-N 2.76Å; L110-I150 HydrophobicContact CD1-CB 4.3Å; L110-I150 HydrophobicContact CD1-CG2 4.06Å; D111-I150 WeakPolarHBondContact CB-O 3.37Å; D111-I150 PolarHBondContact N-O 2.98Å; D111-I150 VanDerWaalsContact N-O 3.13Å; L114-I150 HydrophobicContact CD1-CG2 4.01Å; L114-I150 WeakPolarHBondContact CD1-O 3.39Å; M129-I150 HydrophobicContact CE-CD1 3.87Å; I131-I150 HydrophobicContact CD1-CD1 4.13Å; I131-I150 HydrophobicContact CD1-CG1 4.34Å; I131-I150 HydrophobicContact CG2-CG2 4.26Å; I150-V153 HydrophobicContact CG2-CG1 3.22Å
151	D	90.9	Very high	77.9	Confident	20 Å²	20	75.4 Å²	75.4	11%	0.107	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-30	-174.5	-57.7	0.8	0	0	0	112.2	R133 S135 C149	R133-D151 HydrophobicContact CB-CB 4.04Å; R133-D151 HydrophobicContact CG-CB 3.81Å; R133-D151 IonicContact CZ-OD2 2.61Å; R133-D151 VanDerWaalsContact CZ-OD2 3.29Å; R133-D151 IonicContact NE-OD2 3.22Å; R133-D151 PolarHBondContact NE-OD2 2.81Å; R133-D151 IonicContact NH2-OD2 2.73Å; R133-D151 PolarHBondContact NH2-OD2 2.94Å; R133-D151 PolarHBondContact O-N 2.9Å; S135-D151 WeakPolarHBondContact CB-OD1 3.34Å; S135-D151 WeakPolarHBondContact CB-OD2 3.43Å; S135-D151 PolarHBondContact N-OD1 3.46Å; S135-D151 PolarHBondContact OG-OD1 3.39Å; S135-D151 PolarHBondContact OG-OD2 2.69Å; C149-D151 PolarHBondContact SG-OD1 3.42Å; C149-D151 VanDerWaalsContact SG-OD1 3.42Å
152	N	91.6	Very high	78.1	Confident	67 Å²	67	69.2 Å²	69.2	36%	0.358	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	133.5	179.4	-167.4	-30.2	0	0	0	111.4	I131 S132 R133	I131-N152 WeakPolarHBondContact CG2-O 3.22Å; S132-N152 PolarHBondContact N-O 3.29Å; S132-N152 WeakPolarHBondContact OG-CB 3.44Å; S132-N152 PolarHBondContact OG-O 2.9Å; S132-N152 PolarHBondContact OG-OD1 2.85Å; S132-N152 VanDerWaalsContact OG-OD1 3.11Å; R133-N152 HydrophobicContact CB-CB 3.8Å; R133-N152 PolarHBondContact N-O 3.05Å; R133-N152 PolarHBondContact O-N 3.23Å
153	V	93.9	Very high	78.3	Confident	9 Å²	9	64.8 Å²	64.8	6%	0.055	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	158.3	178.6	-58.9	0	0	0	0	111.8	L114 L117 M129 R130 I131 I150	L114-V153 HydrophobicContact CD1-CG2 4.39Å; L117-V153 HydrophobicContact CD1-CG2 3.57Å; M129-V153 HydrophobicContact SD-CG1 4.12Å; R130-V153 CarbonylContact O-C 3.55Å; R130-V153 WeakPolarHBondContact O-CA 3.32Å; I131-V153 HydrophobicContact CB-CG1 4.4Å; I131-V153 HydrophobicContact CG1-CG1 4.12Å; I131-V153 HydrophobicContact CG2-CG1 4.2Å; I150-V153 HydrophobicContact CG2-CG1 3.22Å
154	H	91.6	Very high	78.8	Confident	133 Å²	133	60.1 Å²	60.1	62%	0.616	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	116.1	158.1	-69.4	14.4	0	0	0	108.2	M129 R130	M129-H154 WeakPolarHBondContact CA-O 3.48Å; R130-H154 PolarHBondContact N-O 2.8Å; R130-H154 PolarHBondContact O-N 3.15Å
155	C	90.3	Very high	79	Confident	38 Å²	38	65.3 Å²	65.3	26%	0.257	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	138.6	174.4	-64.9	0	0	0	0	109.7	I122 I127	I122-C155 HydrophobicContact CG2-CB 3.78Å; I127-C155 HydrophobicContact CD1-CB 3.96Å
156	G	83.8	Confident	79.2	Confident	41 Å²	41	61.3 Å²	61.3	42%	0.423	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-156.4	178.4	0	0	0	0	0	112.1	Q128	Q128-G156 WeakPolarHBondContact O-CA 3.38Å; Q128-G156 PolarHBondContact O-N 3.27Å
157	E	79.9	Confident	78.9	Confident	171 Å²	171	63.3 Å²	63.3	80%	0.799	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	169.4	-177.9	-61.1	-177.1	173.2	0	0	112.7	Q128	Q128-E157 PolarHBondContact N-O 2.86Å
158	T	78.7	Confident	78.2	Confident	97 Å²	97	64.1 Å²	64.1	60%	0.595	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	139.2	172.1	-47.2	0	0	0	0	110.5
159	S	73	Confident	77.1	Confident	10 Å²	10	69.2 Å²	69.2	7%	0.07	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-88	121.7	174.6	-158.4	0	0	0	0	111.1	G126 Q128 S161	G126-S159 PolarHBondContact O-N 2.76Å; Q128-S159 PolarHBondContact NE2-OG 3Å; Q128-S159 VanDerWaalsContact NE2-OG 3.09Å; S159-S161 PolarHBondContact O-N 3.48Å; S159-S161 PolarHBondContact OG-O 3.16Å
160	D	60.6	Low	75.9	Confident	171 Å²	171	70.6 Å²	70.6	91%	0.914	38%	0.383	S	S	*	.	S	Bend	trans	-68	-15.8	177.7	-76.6	-33.7	0	0	0	113.9
161	S	64.4	Low	74.4	Confident	97 Å²	97	80.3 Å²	80.3	68%	0.678	42%	0.42	S	S	*	.			trans	-143.9	135.2	174.5	59.6	0	0	0	0	110.9	S159	S159-S161 PolarHBondContact O-N 3.48Å; S159-S161 PolarHBondContact OG-O 3.16Å
162	I	70.4	Confident	73	Confident	28 Å²	28	81 Å²	81	14%	0.144	43%	0.429	C	S	.	.			trans	-142.3	117.8	-174.2	-62.7	-177.9	0	0	0	108.8	T70 L72 Y729	T70-I162 HydrophobicContact CG2-CB 4.37Å; T70-I162 HydrophobicContact CG2-CD1 3.42Å; T70-I162 VanDerWaalsContact CG2-CD1 3.42Å; T70-I162 HydrophobicContact CG2-CG1 3.67Å; T70-I162 HydrophobicContact CG2-CG2 3.87Å; L72-I162 HydrophobicContact CD2-CG2 3.42Å; L72-I162 VanDerWaalsContact CD2-CG2 3.42Å; I162-Y729 HydrophobicContact CB-CD1 4.26Å; I162-Y729 HydrophobicContact CB-CE1 3.65Å; I162-Y729 HydrophobicContact CD1-CD1 4.27Å; I162-Y729 HydrophobicContact CD1-CD2 3.97Å; I162-Y729 HydrophobicContact CD1-CE1 3.85Å; I162-Y729 HydrophobicContact CD1-CE2 3.52Å; I162-Y729 HydrophobicContact CD1-CG 4.31Å; I162-Y729 VanDerWaalsContact CD1-CZ 3.45Å; I162-Y729 HydrophobicContact CG1-CE1 4.21Å; I162-Y729 HydrophobicContact CG2-CD1 3.84Å; I162-Y729 HydrophobicContact CG2-CE1 3.75Å
163	S	65.9	Low	71.8	Confident	61 Å²	61	79.4 Å²	79.4	43%	0.427	42%	0.419	S	S	.	.			trans	-89.1	112.7	177.8	-177.6	0	0	0	0	111.7	T166	S163-T166 PolarHBondContact O-OG1 2.76Å
164	L	68.7	Low	70.4	Confident	78 Å²	78	83.9 Å²	83.9	41%	0.408	44%	0.439	S	S	.	.	S	Bend	trans	-83.6	-16.1	177	-71.7	179.1	0	0	0	114.1	L72 Q105 T166 Y729 P731	L72-L164 HydrophobicContact CD1-CD2 4.45Å; L72-L164 HydrophobicContact CD2-CD2 4.04Å; Q105-L164 PolarHBondContact NE2-O 3.47Å; L164-T166 PolarHBondContact O-N 3.3Å; L164-Y729 HydrophobicContact CD2-CD1 4.22Å; L164-P731 HydrophobicContact CD1-CG 3.58Å; L164-P731 HydrophobicContact CG-CG 4.48Å
165	E	61.1	Low	69.5	Low	187 Å²	187	83.7 Å²	83.7	87%	0.874	44%	0.439	S	S	*	.			trans	-81.1	1.7	-174.8	-58	-171.4	154.9	0	0	113.6
166	T	67.1	Low	68.8	Low	12 Å²	12	89.3 Å²	89.3	7%	0.074	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-67.4	128.5	179.7	41.5	0	0	0	0	111.6	S100 G102 Q105 S163 L164	S100-T166 PolarHBondContact OG-OG1 3.35Å; G102-T166 VanDerWaalsContact O-CG2 3.26Å; G102-T166 WeakPolarHBondContact O-CG2 3.47Å; Q105-T166 VanDerWaalsContact CD-O 3.31Å; Q105-T166 WeakPolarHBondContact CG-O 3.49Å; Q105-T166 VanDerWaalsContact CG-OG1 3.26Å; Q105-T166 WeakPolarHBondContact CG-OG1 3.24Å; Q105-T166 PolarHBondContact NE2-O 3.18Å; Q105-T166 PolarHBondContact NE2-OG1 3.3Å; S163-T166 PolarHBondContact O-OG1 2.76Å; L164-T166 PolarHBondContact O-N 3.3Å
167	P	69.5	Low	68.7	Low	70 Å²	70	89.4 Å²	89.4	46%	0.455	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-71.4	144.3	-175.5	27.4	-35.6	0	0	0	113	V103 Y104 Q105	V103-P167 WeakPolarHBondContact O-CD 3.35Å; Y104-P167 WeakPolarHBondContact CA-O 3.37Å; Y104-P167 HydrophobicContact CD1-CG 4.07Å; Y104-P167 WeakPolarHBondContact CD1-O 3.4Å; Y104-P167 HydrophobicContact CE1-CG 4.08Å; Q105-P167 PolarHBondContact N-O 3.06Å
168	F	67.7	Low	69	Low	41 Å²	41	83.2 Å²	83.2	18%	0.18	42%	0.423	C	S	.	.	B	Isolated β-bridge	trans	-69	142.3	167.3	-82.5	-91.9	0	0	0	111.6	T98 Q105 H173 Q174	T98-F168 HydrophobicContact CG2-CE1 3.82Å; T98-F168 HydrophobicContact CG2-CZ 3.76Å; Q105-F168 HydrophobicContact CB-CD1 3.93Å; Q105-F168 HydrophobicContact CB-CD2 4.14Å; Q105-F168 HydrophobicContact CB-CE1 3.99Å; Q105-F168 HydrophobicContact CB-CE2 4.19Å; Q105-F168 HydrophobicContact CB-CG 4.02Å; Q105-F168 HydrophobicContact CB-CZ 4.13Å; Q105-F168 WeakPolarHBondContact O-CA 3.44Å; Q105-F168 VanDerWaalsContact OE1-CZ 3.31Å; F168-H173 HydrophobicContact CD1-CB 3.86Å; F168-H173 HydrophobicContact CE1-CB 4.15Å; F168-Q174 HydrophobicContact CB-CG 3.88Å; F168-Q174 HydrophobicContact CD2-CG 3.75Å; F168-Q174 HydrophobicContact CG-CG 3.96Å
169	R	65.2	Low	69.3	Low	121 Å²	121	85.9 Å²	85.9	46%	0.457	42%	0.422	S	S	.	.	S	Bend	trans	-66.2	-52.2	169.5	179.6	-177	170.3	-126.9	8.3	111.9	Q105 E106	Q105-R169 PolarHBondContact O-N 3.31Å; Q105-R169 VanDerWaalsContact O-N 3.14Å; E106-R169 WeakPolarHBondContact OE2-CD 3.48Å; E106-R169 IonicContact OE2-NH1 3.92Å; E106-R169 PolarHBondContact OE2-NH1 2.89Å
170	N	66.1	Low	70.1	Confident	30 Å²	30	86 Å²	86	16%	0.16	42%	0.423	C	S	.	.			trans	-93.7	114.2	179.7	-172.9	7.7	0	0	0	110.5	A172 H173	N170-A172 PolarHBondContact O-N 2.83Å; N170-A172 WeakPolarHBondContact OD1-CB 3.33Å; N170-A172 PolarHBondContact OD1-N 3.05Å; N170-A172 VanDerWaalsContact OD1-N 3.12Å; N170-H173 PolarHBondContact ND2-CD2 3.43Å; N170-H173 VanDerWaalsContact ND2-CD2 3.28Å; N170-H173 PolarHBondContact ND2-NE2 2.81Å; N170-H173 WeakPolarHBondContact O-CB 3.34Å; N170-H173 PolarHBondContact O-N 3.38Å
171	R	62.3	Low	71.2	Confident	205 Å²	205	78.8 Å²	78.8	77%	0.774	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-62.8	-25	176.3	-69.6	-174.6	178	-170.7	-2.4	113	H173 Q174 E175	R171-H173 PolarHBondContact O-N 2.74Å; R171-Q174 WeakPolarHBondContact O-CA 3.24Å; R171-Q174 WeakPolarHBondContact O-CB 3.44Å; R171-Q174 PolarHBondContact O-N 2.94Å; R171-E175 PolarHBondContact O-N 3.29Å
172	A	60.8	Low	72.1	Confident	35 Å²	35	77.6 Å²	77.6	29%	0.289	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-65.4	-20.7	173.2	0	0	0	0	0	112.9	N170 Q174 E175	N170-A172 PolarHBondContact O-N 2.83Å; N170-A172 WeakPolarHBondContact OD1-CB 3.33Å; N170-A172 PolarHBondContact OD1-N 3.05Å; N170-A172 VanDerWaalsContact OD1-N 3.12Å; A172-Q174 PolarHBondContact O-N 3.26Å; A172-E175 WeakPolarHBondContact CA-OE1 3.47Å; A172-E175 PolarHBondContact O-N 2.79Å
173	H	67.6	Low	72	Confident	33 Å²	33	77.7 Å²	77.7	15%	0.153	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-76.6	-9.4	172	-58.5	171.1	0	0	0	112.6	E106 F168 N170 R171	E106-H173 IonicContact OE1-CE1 2.95Å; E106-H173 PolarHBondContact OE1-CE1 2.91Å; E106-H173 IonicContact OE1-ND1 2.76Å; E106-H173 PolarHBondContact OE1-ND1 3.42Å; F168-H173 HydrophobicContact CD1-CB 3.86Å; F168-H173 HydrophobicContact CE1-CB 4.15Å; N170-H173 PolarHBondContact ND2-CD2 3.43Å; N170-H173 VanDerWaalsContact ND2-CD2 3.28Å; N170-H173 PolarHBondContact ND2-NE2 2.81Å; N170-H173 WeakPolarHBondContact O-CB 3.34Å; N170-H173 PolarHBondContact O-N 3.38Å; R171-H173 PolarHBondContact O-N 2.74Å
174	Q	64.9	Low	72	Confident	103 Å²	103	77.7 Å²	77.7	48%	0.481	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-100.7	-2.4	173.3	-54	-179	-59.6	0	0	112.8	F168 R171 A172	F168-Q174 HydrophobicContact CB-CG 3.88Å; F168-Q174 HydrophobicContact CD2-CG 3.75Å; F168-Q174 HydrophobicContact CG-CG 3.96Å; R171-Q174 WeakPolarHBondContact O-CA 3.24Å; R171-Q174 WeakPolarHBondContact O-CB 3.44Å; R171-Q174 PolarHBondContact O-N 2.94Å; A172-Q174 PolarHBondContact O-N 3.26Å
175	E	70.8	Confident	72	Confident	128 Å²	128	74.4 Å²	74.4	60%	0.598	37%	0.365	S	S	*	.			trans	-64.7	138.2	177.2	-77.6	173	-150.7	0	0	111.1	R171 A172 P177 E178	R171-E175 PolarHBondContact O-N 3.29Å; A172-E175 WeakPolarHBondContact CA-OE1 3.47Å; A172-E175 PolarHBondContact O-N 2.79Å; E175-P177 CarbonylContact O-C 3.52Å; E175-E178 WeakPolarHBondContact O-CA 3.37Å; E175-E178 PolarHBondContact O-N 3.39Å
176	K	76	Confident	72.7	Confident	157 Å²	157	66.2 Å²	66.2	68%	0.683	33%	0.328	S	S	*	.	S	Bend	trans	-107.8	134.3	177.3	-67.4	-168.8	169.4	-125.1	0	110.6	D200	K176-D200 VanDerWaalsContact CD-OD2 3.27Å; K176-D200 WeakPolarHBondContact CD-OD2 3.34Å; K176-D200 VanDerWaalsContact CE-OD2 3.25Å; K176-D200 WeakPolarHBondContact CE-OD2 3.42Å; K176-D200 WeakPolarHBondContact CG-OD2 3.44Å; K176-D200 IonicContact NZ-OD2 3.87Å; K176-D200 PolarHBondContact NZ-OD2 3.5Å
177	P	81.6	Confident	73.7	Confident	43 Å²	43	65.8 Å²	65.8	28%	0.279	33%	0.325	S	S	.	.	S	Bend	cis	-72.5	141.8	-3.8	31	-35.6	0	0	0	112.3	E175 R179 D200 I201	E175-P177 CarbonylContact O-C 3.52Å; P177-R179 VanDerWaalsContact O-CG 3.27Å; P177-R179 WeakPolarHBondContact O-CG 3.5Å; P177-D200 HydrophobicContact CB-CB 3.82Å; P177-I201 HydrophobicContact CB-CG2 3.65Å; P177-I201 HydrophobicContact CG-CG2 3.9Å
178	E	85.9	Confident	74.8	Confident	40 Å²	40	62.7 Å²	62.7	19%	0.187	30%	0.304	C	S	.	.			trans	-56.4	137.5	176.2	-71.4	178.5	-166.9	0	0	111.7	Q75 E175 Y188 K728	Q75-E178 PolarHBondContact NE2-OE2 2.91Å; E175-E178 WeakPolarHBondContact O-CA 3.37Å; E175-E178 PolarHBondContact O-N 3.39Å; E178-Y188 HydrophobicContact CB-CE2 4.18Å; E178-K728 IonicContact OE1-NZ 3.88Å; E178-K728 PolarHBondContact OE1-NZ 3.02Å; E178-K728 WeakPolarHBondContact OE2-CE 3.38Å; E178-K728 IonicContact OE2-NZ 2.76Å; E178-K728 PolarHBondContact OE2-NZ 3.17Å
179	R	85.4	Confident	76	Confident	153 Å²	153	60.8 Å²	60.8	58%	0.577	30%	0.296	S	S	*	.			trans	-123.9	152.5	-177	-51.5	-162	175.5	-175.4	-2.7	112.9	P177 S186 Y188	P177-R179 VanDerWaalsContact O-CG 3.27Å; P177-R179 WeakPolarHBondContact O-CG 3.5Å; R179-S186 WeakPolarHBondContact CG-O 3.45Å; R179-Y188 PolarHBondContact O-OH 2.84Å
180	P	89.4	Confident	77.4	Confident	14 Å²	14	55.6 Å²	55.6	9%	0.091	28%	0.279	C	S	.	.			trans	-54	148.8	169	-27.6	36.1	0	0	0	114.2	Y77 D96 R182 H187 Y188	Y77-P180 HydrophobicContact CD1-CB 3.91Å; Y77-P180 HydrophobicContact CD1-CG 4.21Å; Y77-P180 HydrophobicContact CD2-CB 3.9Å; Y77-P180 HydrophobicContact CD2-CG 4.22Å; Y77-P180 HydrophobicContact CE1-CB 4.16Å; Y77-P180 HydrophobicContact CE2-CB 4.16Å; Y77-P180 HydrophobicContact CG-CB 3.77Å; Y77-P180 HydrophobicContact CG-CG 3.82Å; D96-P180 VanDerWaalsContact OD2-CA 3.3Å; D96-P180 WeakPolarHBondContact OD2-CA 3.35Å; P180-R182 WeakPolarHBondContact CB-O 3.49Å; P180-H187 VanDerWaalsContact CG-O 3.32Å; P180-H187 WeakPolarHBondContact CG-O 3.28Å; P180-Y188 HydrophobicContact CB-CE1 4.11Å; P180-Y188 HydrophobicContact CG-CD1 3.98Å; P180-Y188 HydrophobicContact CG-CE1 3.91Å; P180-Y188 HydrophobicContact CG-CG 4.45Å
181	L	85.5	Confident	78.7	Confident	18 Å²	18	54.9 Å²	54.9	9%	0.094	28%	0.275	C	S	.	.	S	Bend	trans	-71.2	-30.2	172	-64.8	173.2	0	0	0	112.5	D96 K107 C108 I147	D96-L181 HydrophobicContact CB-CD1 4.4Å; D96-L181 WeakPolarHBondContact OD1-CB 3.3Å; D96-L181 WeakPolarHBondContact OD1-CD1 3.14Å; D96-L181 PolarHBondContact OD2-N 3.49Å; K107-L181 HydrophobicContact CB-CD1 4.41Å; K107-L181 HydrophobicContact CD-CD1 4.25Å; K107-L181 HydrophobicContact CD-CD2 4.23Å; K107-L181 HydrophobicContact CD-CG 4.05Å; K107-L181 HydrophobicContact CG-CD1 3.9Å; K107-L181 HydrophobicContact CG-CG 4.26Å; C108-L181 VanDerWaalsContact C-CD1 3.48Å; I147-L181 HydrophobicContact CD1-CB 4.27Å; I147-L181 VanDerWaalsContact CD1-O 3.26Å; I147-L181 WeakPolarHBondContact CD1-O 3.46Å; I147-L181 HydrophobicContact CG2-CB 4.2Å; I147-L181 HydrophobicContact CG2-CD1 3.93Å
182	R	81.4	Confident	80.2	Confident	73 Å²	73	46 Å²	46	28%	0.275	24%	0.242	S	C	.	.	S	Bend	trans	-132.9	165.6	-179.9	-57.6	-172.6	63.6	-157.5	-4	113.1	Y77 L79 Y109 I147 P180	Y77-R182 HydrophobicContact CE2-CB 4.43Å; Y77-R182 WeakPolarHBondContact CE2-O 3.31Å; L79-R182 HydrophobicContact CD1-CB 4.35Å; Y109-R182 HydrophobicContact CD2-CG 4.36Å; Y109-R182 PolarHBondContact OH-NH1 2.8Å; I147-R182 HydrophobicContact CD1-CG 3.9Å; P180-R182 WeakPolarHBondContact CB-O 3.49Å
183	G	69.9	Low	81.7	Confident	29 Å²	29	44.9 Å²	44.9	30%	0.299	23%	0.231	S	C	.	.	S	Bend	trans	81.4	156	-170.4	0	0	0	0	0	111.7	K185	G183-K185 PolarHBondContact O-N 2.87Å
184	G	65.8	Low	82.7	Confident	62 Å²	62	44 Å²	44	64%	0.639	23%	0.227	S	C	*	.	S	Bend	trans	-78.6	-2.8	175.7	0	0	0	0	0	114	E80	E80-G184 WeakPolarHBondContact OE2-CA 3.25Å; E80-G184 PolarHBondContact OE2-N 3.31Å
185	K	68.6	Low	83.8	Confident	9 Å²	9	39.5 Å²	39.5	4%	0.039	21%	0.206	C	C	.	.			trans	-76.4	139.5	-176.6	-59.9	-165.9	179.6	99.8	0	111.8	L78 L79 E80 G183 H187 K252	L78-K185 WeakPolarHBondContact O-CD 3.29Å; L78-K185 PolarHBondContact O-NZ 2.8Å; L79-K185 PolarHBondContact O-NZ 3.2Å; E80-K185 HydrophobicContact CG-CD 4.32Å; E80-K185 HydrophobicContact CG-CG 3.92Å; E80-K185 WeakPolarHBondContact OE1-CE 3.39Å; E80-K185 VanDerWaalsContact OE1-CG 3.26Å; E80-K185 WeakPolarHBondContact OE1-CG 3.33Å; E80-K185 IonicContact OE1-NZ 2.93Å; G183-K185 PolarHBondContact O-N 2.87Å; K185-H187 VanDerWaalsContact C-N 3.35Å; K185-H187 PolarHBondContact O-N 2.58Å; K185-K252 PolarHBondContact NZ-O 2.67Å
186	S	74.8	Confident	84.8	Confident	14 Å²	14	34 Å²	34	10%	0.098	18%	0.181	C	C	.	.	S	Bend	trans	-77.2	-8.8	-174.6	46.3	0	0	0	0	115.9	R179 E259	R179-S186 WeakPolarHBondContact CG-O 3.45Å; S186-E259 VanDerWaalsContact CB-OE1 3.23Å; S186-E259 WeakPolarHBondContact CB-OE1 2.95Å; S186-E259 WeakPolarHBondContact OG-CG 3.46Å; S186-E259 PolarHBondContact OG-OE1 3.01Å
187	H	89	Confident	85.6	Confident	4 Å²	4	27 Å²	27	2%	0.019	15%	0.151	C	C	.	.			trans	-149	157.2	-158.6	60.3	-74.5	0	0	0	113	P180 K185 I201 Y249 E259	P180-H187 VanDerWaalsContact CG-O 3.32Å; P180-H187 WeakPolarHBondContact CG-O 3.28Å; K185-H187 VanDerWaalsContact C-N 3.35Å; K185-H187 PolarHBondContact O-N 2.58Å; H187-I201 HydrophobicContact CB-CD1 3.79Å; H187-I201 HydrophobicContact CB-CG2 4.42Å; H187-Y249 AromaticContact NE2-CE2 3.66Å; H187-E259 HydrophobicContact CB-CG 4.31Å; H187-E259 WeakPolarHBondContact ND1-CG 3.31Å
188	Y	92.6	Very high	86.2	Confident	4 Å²	4	26.9 Å²	26.9	2%	0.016	15%	0.146	C	C	.	.			trans	-90.7	163.3	166.7	-64.5	-71.8	0	0	0	111.7	Q75 R76 Y77 D96 K107 E178 R179 P180 Y198	Q75-Y188 HydrophobicContact CB-CD1 3.51Å; Q75-Y188 HydrophobicContact CB-CD2 4.29Å; Q75-Y188 HydrophobicContact CB-CE1 3.48Å; Q75-Y188 VanDerWaalsContact CB-CE1 3.48Å; Q75-Y188 HydrophobicContact CB-CE2 4.25Å; Q75-Y188 HydrophobicContact CB-CG 3.92Å; R76-Y188 CarbonylContact O-C 3.51Å; R76-Y188 WeakPolarHBondContact O-CA 3.39Å; Y77-Y188 HydrophobicContact CD1-CD1 4.04Å; Y77-Y188 AromaticContact CD1-CE1 3.88Å; Y77-Y188 HydrophobicContact CD1-CE1 3.88Å; D96-Y188 HydrophobicContact CB-CE1 4.1Å; D96-Y188 VanDerWaalsContact OD2-CE1 3.28Å; D96-Y188 WeakPolarHBondContact OD2-CE1 3.39Å; D96-Y188 PolarHBondContact OD2-OH 2.86Å; K107-Y188 WeakPolarHBondContact CD-OH 3.46Å; K107-Y188 PolarHBondContact NZ-OH 3.04Å; E178-Y188 HydrophobicContact CB-CE2 4.18Å; R179-Y188 PolarHBondContact O-OH 2.84Å; P180-Y188 HydrophobicContact CB-CE1 4.11Å; P180-Y188 HydrophobicContact CG-CD1 3.98Å; P180-Y188 HydrophobicContact CG-CE1 3.91Å; P180-Y188 HydrophobicContact CG-CG 4.45Å; Y188-Y198 HydrophobicContact CG-CE1 4.4Å
189	L	93	Very high	86.4	Confident	2 Å²	2	26 Å²	26	1%	0.01	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-109	159	173.4	-53.9	177.8	0	0	0	109.7	R76 L78 Y93 Y198 Y249 Y261	R76-L189 PolarHBondContact O-N 3.33Å; L78-L189 HydrophobicContact CB-CD1 4.28Å; Y93-L189 HydrophobicContact CD1-CD1 4.12Å; Y93-L189 HydrophobicContact CE1-CD1 3.66Å; L189-Y198 VanDerWaalsContact O-CD1 3.31Å; L189-Y198 WeakPolarHBondContact O-CD1 3.36Å; L189-Y249 HydrophobicContact CD1-CE1 4.09Å; L189-Y249 HydrophobicContact CD2-CD2 3.83Å; L189-Y249 HydrophobicContact CD2-CE1 4.39Å; L189-Y249 HydrophobicContact CD2-CE2 3.5Å; L189-Y249 HydrophobicContact CD2-CG 4.38Å; L189-Y261 WeakPolarHBondContact CD2-OH 3.46Å
190	A	93.9	Very high	86.6	Confident	12 Å²	12	20.1 Å²	20.1	10%	0.099	13%	0.128	C	C	.	.			trans	-56.7	143.1	167.6	0	0	0	0	0	110.1	R76 W192 N193 D196	R76-A190 PolarHBondContact NE-O 3.42Å; R76-A190 PolarHBondContact NH2-O 2.82Å; A190-W192 VanDerWaalsContact C-N 3.32Å; A190-W192 PolarHBondContact O-N 3.11Å; A190-N193 VanDerWaalsContact O-O 3.12Å; A190-D196 HydrophobicContact CB-CB 4.04Å
191	L	94	Very high	86.6	Confident	14 Å²	14	20.4 Å²	20.4	7%	0.073	13%	0.128	C	C	.	.	S	Bend	trans	-64.7	-35.2	-167.8	-178	55.3	0	0	0	112.9	V74 R76 Y95 V118 A727	V74-L191 HydrophobicContact CG1-CD1 4.24Å; R76-L191 HydrophobicContact CB-CD1 4.08Å; R76-L191 WeakPolarHBondContact CD-O 3.24Å; R76-L191 PolarHBondContact NE-O 2.97Å; R76-L191 VanDerWaalsContact NE-O 3.14Å; Y95-L191 HydrophobicContact CD1-CD1 4.15Å; Y95-L191 HydrophobicContact CE1-CD1 3.66Å; V118-L191 HydrophobicContact CG1-CD1 4.24Å; L191-A727 HydrophobicContact CB-CB 3.99Å; L191-A727 HydrophobicContact CD2-CB 4.19Å
192	W	93.5	Very high	86.9	Confident	19 Å²	19	19.6 Å²	19.6	7%	0.072	12%	0.124	C	C	.	.	S	Bend	trans	-113.2	-13.8	-168.9	-54.9	113.8	0	0	0	115.8	V118 N121 A190 R389 Y544 S724 Q725	V118-W192 WeakPolarHBondContact O-CH2 3.41Å; N121-W192 HydrophobicContact CB-CH2 4.21Å; A190-W192 VanDerWaalsContact C-N 3.32Å; A190-W192 PolarHBondContact O-N 3.11Å; W192-R389 PolarHBondContact O-NE 3.08Å; W192-R389 PolarHBondContact O-NH2 2.84Å; W192-Y544 HydrophobicContact CD2-CD1 4.06Å; W192-Y544 HydrophobicContact CD2-CE1 4.43Å; W192-Y544 AromaticContact CE2-CD1 3.88Å; W192-Y544 AromaticContact CE2-CE1 3.96Å; W192-Y544 AromaticContact CE3-CD1 3.97Å; W192-Y544 HydrophobicContact CE3-CD1 3.97Å; W192-Y544 AromaticContact CH2-CD1 3.57Å; W192-Y544 HydrophobicContact CH2-CD1 3.57Å; W192-Y544 HydrophobicContact CH2-CE1 4.29Å; W192-Y544 HydrophobicContact CH2-CG 4.38Å; W192-Y544 AromaticContact CZ2-CD1 3.64Å; W192-Y544 HydrophobicContact CZ2-CD1 3.64Å; W192-Y544 AromaticContact CZ2-CE1 3.89Å; W192-Y544 HydrophobicContact CZ2-CE1 3.89Å; W192-Y544 AromaticContact CZ3-CD1 3.74Å; W192-Y544 HydrophobicContact CZ3-CD1 3.74Å; W192-Y544 HydrophobicContact CZ3-CG 4.46Å; W192-S724 VanDerWaalsContact CD1-CB 3.45Å; W192-Q725 HydrophobicContact CZ2-CB 4.43Å; W192-Q725 PolarHBondContact NE1-O 3.43Å
193	N	92.1	Very high	87	Confident	11 Å²	11	21.5 Å²	21.5	6%	0.059	14%	0.139	C	C	.	.			trans	-147.3	172	177.9	76.1	60.3	0	0	0	112	R76 A190 E195 D196	R76-N193 PolarHBondContact NH2-O 3.24Å; A190-N193 VanDerWaalsContact O-O 3.12Å; N193-E195 PolarHBondContact OD1-N 2.84Å; N193-D196 PolarHBondContact ND2-OD2 2.82Å; N193-D196 PolarHBondContact OD1-N 3.29Å; N193-D196 PolarHBondContact OD1-OD2 2.9Å
194	N	89.7	Confident	87.7	Confident	15 Å²	15	22.8 Å²	22.8	8%	0.08	14%	0.141	C	C	.	.	S	Bend	trans	-110.9	17.4	-175.9	-52	-8.5	0	0	0	112.9	R76 Y93 Y249 D398	R76-N194 PolarHBondContact NH1-OD1 2.8Å; R76-N194 PolarHBondContact NH2-OD1 2.63Å; Y93-N194 PolarHBondContact OH-ND2 2.81Å; Y93-N194 VanDerWaalsContact OH-ND2 3.08Å; N194-Y249 VanDerWaalsContact O-CB 3.22Å; N194-Y249 WeakPolarHBondContact O-CB 3.42Å; N194-D398 PolarHBondContact ND2-OD1 2.87Å
195	E	86.6	Confident	88.6	Confident	9 Å²	9	24.5 Å²	24.5	4%	0.042	14%	0.136	C	C	.	.	S	Bend	trans	-116.2	-30.2	-169.5	-40.1	-138	121.6	0	0	111.3	N193 K246 K392 W400 S424	N193-E195 PolarHBondContact OD1-N 2.84Å; E195-K246 VanDerWaalsContact OE2-CE 3.3Å; E195-K246 WeakPolarHBondContact OE2-CE 3.46Å; E195-K246 IonicContact OE2-NZ 3.54Å; E195-K246 PolarHBondContact OE2-NZ 3.11Å; E195-K392 IonicContact OE1-NZ 3.85Å; E195-K392 PolarHBondContact OE1-NZ 3.39Å; E195-W400 WeakPolarHBondContact OE1-CZ3 3.44Å; E195-W400 VanDerWaalsContact OE2-CE3 3.26Å; E195-W400 VanDerWaalsContact OE2-CZ3 3.27Å; E195-W400 WeakPolarHBondContact OE2-CZ3 3.39Å; E195-S424 WeakPolarHBondContact O-CB 3.42Å; E195-S424 PolarHBondContact O-OG 3.4Å
196	D	93	Very high	89.6	Confident	11 Å²	11	26.6 Å²	26.6	6%	0.059	15%	0.145	C	C	.	.	S	Bend	trans	-81	136.7	-179.2	-75.7	-57.3	0	0	0	113.1	A190 N193 Y198 S422 S424 P426	A190-D196 HydrophobicContact CB-CB 4.04Å; N193-D196 PolarHBondContact ND2-OD2 2.82Å; N193-D196 PolarHBondContact OD1-N 3.29Å; N193-D196 PolarHBondContact OD1-OD2 2.9Å; D196-Y198 PolarHBondContact O-N 2.67Å; D196-S422 PolarHBondContact OD1-OG 3.04Å; D196-S422 WeakPolarHBondContact OD2-CB 3.5Å; D196-S422 PolarHBondContact OD2-OG 2.81Å; D196-S424 WeakPolarHBondContact OD1-CA 3.23Å; D196-P426 HydrophobicContact CB-CB 4.21Å; D196-P426 HydrophobicContact CB-CG 4.21Å; D196-P426 VanDerWaalsContact OD1-CD 3.31Å; D196-P426 WeakPolarHBondContact OD1-CD 3.18Å
197	P	93.1	Very high	90.4	Very high	11 Å²	11	31.2 Å²	31.2	7%	0.071	17%	0.165	C	C	.	.			trans	-66.9	123.3	172.2	28.7	-34.3	0	0	0	110.4	W202 L247 P426	P197-W202 HydrophobicContact CB-CB 4.16Å; P197-W202 HydrophobicContact CB-CD2 3.24Å; P197-W202 HydrophobicContact CB-CE3 3.5Å; P197-W202 VanDerWaalsContact CB-CE3 3.5Å; P197-W202 HydrophobicContact CB-CG 3.53Å; P197-W202 HydrophobicContact CB-CH2 4.45Å; P197-W202 HydrophobicContact CB-CZ2 4.21Å; P197-W202 HydrophobicContact CB-CZ3 4.11Å; P197-L247 HydrophobicContact CB-CD1 4.13Å; P197-L247 HydrophobicContact CG-CD1 4.43Å; P197-P426 HydrophobicContact CG-CG 4.09Å
198	Y	92.8	Very high	90.3	Very high	40 Å²	40	33.9 Å²	33.9	16%	0.157	18%	0.183	C	C	.	.			trans	-132.7	143.5	-178.2	179.8	-96	0	0	0	112.5	Q75 Y188 L189 D196 W202 A727	Q75-Y198 PolarHBondContact NE2-OH 2.84Å; Y188-Y198 HydrophobicContact CG-CE1 4.4Å; L189-Y198 VanDerWaalsContact O-CD1 3.31Å; L189-Y198 WeakPolarHBondContact O-CD1 3.36Å; D196-Y198 PolarHBondContact O-N 2.67Å; Y198-W202 VanDerWaalsContact N-CD1 3.35Å; Y198-W202 PolarHBondContact O-NE1 2.97Å; Y198-A727 HydrophobicContact CE2-CB 3.7Å
199	G	90.5	Very high	90.1	Very high	23 Å²	23	39 Å²	39	24%	0.237	21%	0.206	C	C	.	.	S	Bend	trans	81.7	172.9	178.1	0	0	0	0	0	114.6	I201 W202	G199-I201 PolarHBondContact O-N 2.92Å; G199-I201 VanDerWaalsContact O-N 3.11Å; G199-W202 PolarHBondContact O-N 2.92Å
200	D	89.2	Confident	89.9	Confident	29 Å²	29	45.2 Å²	45.2	16%	0.155	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-67.4	-14.7	-165.9	-75.1	31.3	0	0	0	114.7	K176 P177 W202 L203	K176-D200 VanDerWaalsContact CD-OD2 3.27Å; K176-D200 WeakPolarHBondContact CD-OD2 3.34Å; K176-D200 VanDerWaalsContact CE-OD2 3.25Å; K176-D200 WeakPolarHBondContact CE-OD2 3.42Å; K176-D200 WeakPolarHBondContact CG-OD2 3.44Å; K176-D200 IonicContact NZ-OD2 3.87Å; K176-D200 PolarHBondContact NZ-OD2 3.5Å; P177-D200 HydrophobicContact CB-CB 3.82Å; D200-W202 PolarHBondContact O-N 2.96Å; D200-L203 HydrophobicContact CB-CD1 3.88Å; D200-L203 WeakPolarHBondContact O-CB 3.26Å; D200-L203 WeakPolarHBondContact O-CG 3.3Å; D200-L203 PolarHBondContact O-N 3.38Å; D200-L203 VanDerWaalsContact O-N 3.15Å
201	I	90.1	Very high	89.7	Confident	19 Å²	19	46.5 Å²	46.5	10%	0.097	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-61.2	-25.2	175.8	70.4	174.4	0	0	0	112.5	P177 H187 G199 L203 E259 P284	P177-I201 HydrophobicContact CB-CG2 3.65Å; P177-I201 HydrophobicContact CG-CG2 3.9Å; H187-I201 HydrophobicContact CB-CD1 3.79Å; H187-I201 HydrophobicContact CB-CG2 4.42Å; G199-I201 PolarHBondContact O-N 2.92Å; G199-I201 VanDerWaalsContact O-N 3.11Å; I201-L203 VanDerWaalsContact C-N 3.35Å; I201-E259 HydrophobicContact CD1-CG 3.9Å; I201-P284 HydrophobicContact CB-CB 4.09Å; I201-P284 HydrophobicContact CD1-CB 3.74Å; I201-P284 HydrophobicContact CD1-CG 4.03Å; I201-P284 HydrophobicContact CG1-CB 3.75Å
202	W	91.4	Very high	89.5	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.008	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-96.1	25.6	178.9	-48.5	87.6	0	0	0	112.7	P197 Y198 G199 D200 L247 Y261 C283 P284 Y287 K288	P197-W202 HydrophobicContact CB-CB 4.16Å; P197-W202 HydrophobicContact CB-CD2 3.24Å; P197-W202 HydrophobicContact CB-CE3 3.5Å; P197-W202 VanDerWaalsContact CB-CE3 3.5Å; P197-W202 HydrophobicContact CB-CG 3.53Å; P197-W202 HydrophobicContact CB-CH2 4.45Å; P197-W202 HydrophobicContact CB-CZ2 4.21Å; P197-W202 HydrophobicContact CB-CZ3 4.11Å; Y198-W202 VanDerWaalsContact N-CD1 3.35Å; Y198-W202 PolarHBondContact O-NE1 2.97Å; G199-W202 PolarHBondContact O-N 2.92Å; D200-W202 PolarHBondContact O-N 2.96Å; W202-L247 HydrophobicContact CE3-CD1 4.32Å; W202-L247 HydrophobicContact CH2-CD1 3.41Å; W202-L247 VanDerWaalsContact CH2-CD1 3.41Å; W202-L247 HydrophobicContact CH2-CD2 3.82Å; W202-L247 HydrophobicContact CH2-CG 4.27Å; W202-L247 HydrophobicContact CZ2-CD1 4.19Å; W202-L247 HydrophobicContact CZ3-CD1 3.48Å; W202-L247 VanDerWaalsContact CZ3-CD1 3.48Å; W202-L247 HydrophobicContact CZ3-CD2 3.95Å; W202-L247 HydrophobicContact CZ3-CG 4.37Å; W202-Y261 HydrophobicContact CH2-CD1 4.1Å; W202-Y261 HydrophobicContact CH2-CD2 4.19Å; W202-Y261 HydrophobicContact CH2-CE1 4.31Å; W202-Y261 HydrophobicContact CH2-CE2 4.43Å; W202-Y261 HydrophobicContact CH2-CG 4.03Å; W202-Y261 HydrophobicContact CZ2-CD1 4.09Å; W202-Y261 AromaticContact CZ2-CD2 3.91Å; W202-Y261 HydrophobicContact CZ2-CD2 3.91Å; W202-Y261 AromaticContact CZ2-CE1 3.87Å; W202-Y261 HydrophobicContact CZ2-CE1 3.87Å; W202-Y261 AromaticContact CZ2-CE2 3.71Å; W202-Y261 HydrophobicContact CZ2-CE2 3.71Å; W202-Y261 HydrophobicContact CZ2-CG 4.11Å; W202-Y261 AromaticContact CZ2-CZ 3.66Å; W202-C283 HydrophobicContact CH2-CB 4.25Å; W202-C283 HydrophobicContact CZ3-CB 4.46Å; W202-P284 HydrophobicContact CD2-CB 3.9Å; W202-P284 VanDerWaalsContact CE3-CA 3.46Å; W202-P284 HydrophobicContact CE3-CB 3.99Å; W202-P284 HydrophobicContact CG-CB 4.45Å; W202-P284 HydrophobicContact CH2-CB 4.19Å; W202-P284 HydrophobicContact CZ2-CB 4.15Å; W202-P284 VanDerWaalsContact CZ3-CA 3.48Å; W202-P284 HydrophobicContact CZ3-CB 4.12Å; W202-Y287 HydrophobicContact CZ3-CD1 4.47Å; W202-Y287 HydrophobicContact CZ3-CG 4.39Å; W202-K288 HydrophobicContact CB-CD 4.38Å; W202-K288 WeakPolarHBondContact O-CD 3.35Å; W202-K288 WeakPolarHBondContact O-CE 3.4Å; W202-K288 PolarHBondContact O-NZ 2.88Å
203	L	84.6	Confident	89.3	Confident	112 Å²	112	52.2 Å²	52.2	59%	0.586	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-97	-1.4	173.2	-63.1	176.5	0	0	0	112.9	D200 I201 D205	D200-L203 HydrophobicContact CB-CD1 3.88Å; D200-L203 WeakPolarHBondContact O-CB 3.26Å; D200-L203 WeakPolarHBondContact O-CG 3.3Å; D200-L203 PolarHBondContact O-N 3.38Å; D200-L203 VanDerWaalsContact O-N 3.15Å; I201-L203 VanDerWaalsContact C-N 3.35Å; L203-D205 PolarHBondContact O-N 2.82Å
204	T	83.3	Confident	88.9	Confident	57 Å²	57	55.6 Å²	55.6	35%	0.35	29%	0.294	S	S	.	.			trans	-64.9	125.8	170.7	-48.1	0	0	0	0	110	K206 E285	T204-K206 HydrophobicContact CG2-CD 4.27Å; T204-K206 HydrophobicContact CG2-CG 4.3Å; T204-E285 HydrophobicContact CG2-CG 4.07Å; T204-E285 WeakPolarHBondContact CG2-O 3.36Å
205	D	84.5	Confident	88.5	Confident	98 Å²	98	61.9 Å²	61.9	52%	0.524	33%	0.328	S	S	.	.			trans	-121.5	117.9	174.3	-175.4	42.1	0	0	0	108.4	L203 Q207	L203-D205 PolarHBondContact O-N 2.82Å; D205-Q207 PolarHBondContact OD2-NE2 2.84Å
206	K	90.8	Very high	88.7	Confident	52 Å²	52	62.7 Å²	62.7	23%	0.226	33%	0.333	C	S	.	.			trans	-104.3	118.9	-178.4	-58.5	-78.3	-166.3	166.8	0	108.4	T204 E285 W286 S289 I341	T204-K206 HydrophobicContact CG2-CD 4.27Å; T204-K206 HydrophobicContact CG2-CG 4.3Å; K206-E285 WeakPolarHBondContact CE-OE1 3.48Å; K206-E285 IonicContact NZ-OE1 2.9Å; K206-E285 PolarHBondContact NZ-OE1 2.74Å; K206-W286 HydrophobicContact CB-CE3 3.9Å; K206-W286 HydrophobicContact CB-CH2 4.09Å; K206-W286 HydrophobicContact CB-CZ3 3.58Å; K206-W286 HydrophobicContact CD-CE3 4.47Å; K206-W286 HydrophobicContact CD-CH2 3.8Å; K206-W286 HydrophobicContact CD-CZ2 3.87Å; K206-W286 HydrophobicContact CD-CZ3 4.12Å; K206-W286 HydrophobicContact CG-CD2 3.97Å; K206-W286 HydrophobicContact CG-CE3 3.71Å; K206-W286 HydrophobicContact CG-CH2 3.9Å; K206-W286 HydrophobicContact CG-CZ2 4.17Å; K206-W286 HydrophobicContact CG-CZ3 3.67Å; K206-S289 WeakPolarHBondContact CB-OG 3.45Å; K206-S289 PolarHBondContact N-OG 3.43Å; K206-I341 HydrophobicContact CB-CD1 4.37Å
207	Q	89.8	Confident	88.7	Confident	112 Å²	112	70 Å²	70	52%	0.523	37%	0.365	S	S	.	.			trans	-91.7	162.7	-176.8	-70.4	-63.8	-30.2	0	0	111.7	D205	D205-Q207 PolarHBondContact OD2-NE2 2.84Å
208	P	88.9	Confident	88.8	Confident	60 Å²	60	72.9 Å²	72.9	39%	0.39	38%	0.379	S	S	.	.			trans	-65.3	131.4	171.8	-21	34.1	0	0	0	111.9	I341 P343	P208-I341 CarbonylContact C-O 3.59Å; P208-I341 VanDerWaalsContact CA-O 3.26Å; P208-I341 WeakPolarHBondContact CA-O 3.38Å; P208-I341 HydrophobicContact CB-CG2 4.07Å; P208-I341 HydrophobicContact CG-CG2 4.01Å; P208-P343 HydrophobicContact CB-CB 4.12Å; P208-P343 HydrophobicContact CB-CG 3.76Å
209	E	88.4	Confident	88.9	Confident	110 Å²	110	71.5 Å²	71.5	51%	0.514	37%	0.374	S	S	.	.			trans	-115.6	136.3	-175	-71.8	174.5	-161.7	0	0	110.6	H211 I340 I341 P343	E209-H211 PolarHBondContact O-N 3.42Å; E209-I340 HydrophobicContact CB-CG2 4.15Å; E209-I341 PolarHBondContact N-O 3.18Å; E209-P343 WeakPolarHBondContact O-CD 3.27Å
210	E	88.4	Confident	89.1	Confident	133 Å²	133	72.3 Å²	72.3	62%	0.621	38%	0.376	S	S	*	.			trans	-75	115.3	-179.2	-72.4	-160.8	-146.6	0	0	111.4	P343 K345 Q346	E210-P343 HydrophobicContact CG-CG 4.32Å; E210-K345 VanDerWaalsContact OE1-CE 3.31Å; E210-K345 WeakPolarHBondContact OE1-CE 3.06Å; E210-K345 IonicContact OE1-NZ 2.84Å; E210-K345 PolarHBondContact OE1-NZ 2.87Å; E210-Q346 PolarHBondContact OE2-NE2 2.89Å
211	H	89.1	Confident	89.4	Confident	40 Å²	40	71 Å²	71	19%	0.185	37%	0.369	C	S	.	.			trans	-103.6	136.4	-175.6	-171.1	65.8	0	0	0	112.6	E209 F213 T216 L297 I342 Q346	E209-H211 PolarHBondContact O-N 3.42Å; H211-F213 HydrophobicContact CB-CE2 4.1Å; H211-F213 HydrophobicContact CB-CZ 4.41Å; H211-F213 WeakPolarHBondContact O-CD2 3.42Å; H211-T216 PolarHBondContact NE2-OG1 2.61Å; H211-L297 WeakPolarHBondContact CD2-CD2 3.35Å; H211-L297 WeakPolarHBondContact NE2-CD2 3.37Å; H211-I342 HydrophobicContact CB-CD1 3.79Å; H211-Q346 VanDerWaalsContact N-OE1 3.17Å
212	N	90.1	Very high	89.5	Confident	111 Å²	111	71.8 Å²	71.8	59%	0.594	38%	0.376	S	S	*	.			trans	-89.9	114.1	171.8	-178.6	16.7	0	0	0	111.1	S214 T216	N212-S214 VanDerWaalsContact CG-OG 3.32Å; N212-S214 PolarHBondContact ND2-OG 2.66Å; N212-S214 PolarHBondContact OD1-N 2.94Å; N212-S214 VanDerWaalsContact OD1-N 3.13Å; N212-S214 PolarHBondContact OD1-OG 3.07Å; N212-T216 PolarHBondContact O-OG1 2.9Å
213	F	89.2	Confident	89.6	Confident	42 Å²	42	75.6 Å²	75.6	18%	0.184	39%	0.394	C	S	.	.			trans	-83.2	-4.4	-176.9	-70.3	-91.8	0	0	0	114.9	H211 D215 T216 I218 L238 L297 I342 W351	H211-F213 HydrophobicContact CB-CE2 4.1Å; H211-F213 HydrophobicContact CB-CZ 4.41Å; H211-F213 WeakPolarHBondContact O-CD2 3.42Å; F213-D215 VanDerWaalsContact C-N 3.28Å; F213-D215 PolarHBondContact O-N 2.84Å; F213-D215 VanDerWaalsContact O-N 3.16Å; F213-T216 PolarHBondContact O-N 3.05Å; F213-T216 VanDerWaalsContact O-N 3.14Å; F213-I218 HydrophobicContact CD1-CD1 4.07Å; F213-I218 HydrophobicContact CE1-CD1 4.26Å; F213-L238 HydrophobicContact CE1-CD1 4.32Å; F213-L238 HydrophobicContact CE1-CD2 4.19Å; F213-L238 HydrophobicContact CZ-CD1 4.49Å; F213-L297 HydrophobicContact CE1-CD1 4.41Å; F213-L297 HydrophobicContact CE1-CD2 4.44Å; F213-I342 HydrophobicContact CE2-CD1 4.4Å; F213-I342 HydrophobicContact CZ-CD1 3.82Å; F213-I342 HydrophobicContact CZ-CG1 4.27Å; F213-I342 HydrophobicContact CZ-CG2 4.49Å; F213-W351 HydrophobicContact CD1-CZ2 4.43Å; F213-W351 HydrophobicContact CE1-CH2 4.12Å; F213-W351 HydrophobicContact CE1-CZ2 4.06Å; F213-W351 AromaticContact CE2-CH2 3.94Å; F213-W351 HydrophobicContact CE2-CH2 3.94Å; F213-W351 HydrophobicContact CE2-CZ2 4.17Å; F213-W351 AromaticContact CZ-CH2 3.6Å; F213-W351 HydrophobicContact CZ-CH2 3.6Å; F213-W351 AromaticContact CZ-CZ2 3.92Å; F213-W351 HydrophobicContact CZ-CZ2 3.92Å
214	S	83.2	Confident	90.1	Very high	82 Å²	82	70.2 Å²	70.2	57%	0.573	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-45.1	-173.4	51.1	0	0	0	0	114.1	N212	N212-S214 VanDerWaalsContact CG-OG 3.32Å; N212-S214 PolarHBondContact ND2-OG 2.66Å; N212-S214 PolarHBondContact OD1-N 2.94Å; N212-S214 VanDerWaalsContact OD1-N 3.13Å; N212-S214 PolarHBondContact OD1-OG 3.07Å
215	D	82.5	Confident	90.6	Very high	146 Å²	146	69.1 Å²	69.1	78%	0.781	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	6.6	-174.1	-54.2	-86.2	0	0	0	112.1	F213 K217	F213-D215 VanDerWaalsContact C-N 3.28Å; F213-D215 PolarHBondContact O-N 2.84Å; F213-D215 VanDerWaalsContact O-N 3.16Å; D215-K217 PolarHBondContact O-N 2.95Å
216	T	89.9	Confident	90.9	Very high	27 Å²	27	71.4 Å²	71.4	17%	0.166	37%	0.366	C	S	.	.			trans	-88.9	97.5	-174.9	-59.3	0	0	0	0	111	H211 N212 F213 I218 A236 L297	H211-T216 PolarHBondContact NE2-OG1 2.61Å; N212-T216 PolarHBondContact O-OG1 2.9Å; F213-T216 PolarHBondContact O-N 3.05Å; F213-T216 VanDerWaalsContact O-N 3.14Å; T216-I218 HydrophobicContact CG2-CG1 4.22Å; T216-I218 PolarHBondContact O-N 3.19Å; T216-A236 HydrophobicContact CG2-CB 3.98Å; T216-L297 HydrophobicContact CG2-CD1 4.13Å; T216-L297 HydrophobicContact CG2-CD2 4.07Å
217	K	92.4	Very high	91	Very high	165 Å²	165	69.8 Å²	69.8	72%	0.717	36%	0.36	S	S	*	.			trans	-70.2	113.8	172.2	-171.2	175.7	-174.5	170	0	110.8	D215 P235 A236	D215-K217 PolarHBondContact O-N 2.95Å; K217-P235 HydrophobicContact CB-CB 4.38Å; K217-P235 HydrophobicContact CD-CB 4.44Å; K217-P235 HydrophobicContact CD-CG 4.44Å; K217-P235 HydrophobicContact CG-CB 4.08Å; K217-P235 WeakPolarHBondContact O-CB 3.34Å; K217-A236 PolarHBondContact O-N 2.91Å
218	I	94.8	Very high	91	Very high	71 Å²	71	66.9 Å²	66.9	36%	0.364	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	145.7	176.7	-64.3	161.8	0	0	0	110.7	F213 T216 A236 L238	F213-I218 HydrophobicContact CD1-CD1 4.07Å; F213-I218 HydrophobicContact CE1-CD1 4.26Å; T216-I218 HydrophobicContact CG2-CG1 4.22Å; T216-I218 PolarHBondContact O-N 3.19Å; I218-A236 CarbonylContact C-O 3.38Å; I218-A236 VanDerWaalsContact CA-O 3.24Å; I218-A236 WeakPolarHBondContact CA-O 3.47Å; I218-L238 HydrophobicContact CD1-CB 4.18Å; I218-L238 HydrophobicContact CD1-CD2 3.85Å; I218-L238 HydrophobicContact CG2-CB 4.12Å
219	I	95.2	Very high	91	Very high	10 Å²	10	68.5 Å²	68.5	5%	0.051	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	148.4	170	-172.4	165.5	0	0	0	110.1	H223 L224 P235 A236 L237	I219-H223 HydrophobicContact CG1-CB 4.16Å; I219-L224 HydrophobicContact CD1-CB 4.15Å; I219-L224 HydrophobicContact CD1-CD1 4.11Å; I219-L224 HydrophobicContact CG1-CB 4.43Å; I219-P235 HydrophobicContact CB-CB 3.96Å; I219-P235 HydrophobicContact CB-CG 4Å; I219-P235 HydrophobicContact CD1-CG 4.32Å; I219-P235 HydrophobicContact CG2-CB 4.13Å; I219-P235 HydrophobicContact CG2-CG 4.4Å; I219-P235 VanDerWaalsContact CG2-O 3.3Å; I219-P235 WeakPolarHBondContact CG2-O 3.08Å; I219-A236 PolarHBondContact N-O 3Å; I219-L237 HydrophobicContact CG2-CD2 3.72Å; I219-L237 HydrophobicContact CG2-CG 4.11Å; I219-L237 WeakPolarHBondContact O-CD2 3.46Å
220	S	95.4	Very high	90.8	Very high	40 Å²	40	69.8 Å²	69.8	28%	0.28	36%	0.364	S	S	.	.			trans	-87.9	151.7	170.3	72.5	0	0	0	0	111.5	S222 H223 L224 D269	S220-S222 VanDerWaalsContact C-N 3.26Å; S220-S222 PolarHBondContact O-N 3.13Å; S220-S222 PolarHBondContact OG-OG 3.44Å; S220-S222 VanDerWaalsContact OG-OG 3.06Å; S220-H223 PolarHBondContact O-N 3.39Å; S220-H223 VanDerWaalsContact O-N 3.08Å; S220-H223 WeakPolarHBondContact OG-CB 3.42Å; S220-H223 PolarHBondContact OG-N 2.9Å; S220-L224 PolarHBondContact O-N 3.45Å; S220-D269 WeakPolarHBondContact CA-OD2 3.38Å; S220-D269 WeakPolarHBondContact CB-OD2 3.27Å
221	L	95.3	Very high	90.4	Very high	1 Å²	1	68.8 Å²	68.8	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-58.7	-37.7	177.9	-68.8	176.4	0	0	0	112.4	L224 E225 L237 V239 D269 S271 G272 V274 I323 I328	L221-L224 PolarHBondContact O-N 3.2Å; L221-E225 PolarHBondContact O-N 2.84Å; L221-L237 HydrophobicContact CD2-CD1 4.07Å; L221-L237 HydrophobicContact CD2-CD2 3.62Å; L221-L237 HydrophobicContact CD2-CG 4.49Å; L221-L237 HydrophobicContact CG-CD2 4.25Å; L221-V239 HydrophobicContact CD1-CG1 4.09Å; L221-V239 HydrophobicContact CD2-CG1 4.46Å; L221-V239 HydrophobicContact CG-CG1 4.34Å; L221-D269 HydrophobicContact CD1-CB 4.28Å; L221-D269 HydrophobicContact CG-CB 4.44Å; L221-D269 PolarHBondContact N-OD2 3Å; L221-S271 PolarHBondContact N-OG 2.91Å; L221-G272 WeakPolarHBondContact CD1-O 3.35Å; L221-V274 HydrophobicContact CD1-CB 4.26Å; L221-V274 HydrophobicContact CD1-CG1 3.82Å; L221-V274 HydrophobicContact CD2-CB 4.25Å; L221-V274 HydrophobicContact CD2-CG1 3.49Å; L221-V274 VanDerWaalsContact CD2-CG1 3.49Å; L221-V274 HydrophobicContact CG-CG1 4.28Å; L221-I323 HydrophobicContact CB-CD1 3.76Å; L221-I328 HydrophobicContact CD2-CD1 4.13Å
222	S	92.6	Very high	89.7	Confident	36 Å²	36	78 Å²	78	25%	0.252	39%	0.388	S	S	.	.	H	α-helix	trans	-64.7	-37.2	174.1	65.3	0	0	0	0	113.7	S220 E225 M226 S271	S220-S222 VanDerWaalsContact C-N 3.26Å; S220-S222 PolarHBondContact O-N 3.13Å; S220-S222 PolarHBondContact OG-OG 3.44Å; S220-S222 VanDerWaalsContact OG-OG 3.06Å; S222-E225 PolarHBondContact O-N 2.89Å; S222-M226 WeakPolarHBondContact O-CG 3.44Å; S222-M226 PolarHBondContact O-N 3.06Å; S222-S271 PolarHBondContact N-OG 3.47Å; S222-S271 WeakPolarHBondContact OG-CB 3.43Å; S222-S271 PolarHBondContact OG-OG 3.06Å
223	H	93.3	Very high	89.4	Confident	82 Å²	82	79.4 Å²	79.4	38%	0.38	40%	0.395	S	S	.	.	H	α-helix	trans	-77.7	-30.8	176.8	-172.3	67.1	0	0	0	111.8	I219 S220 E225 M226 T227 R231	I219-H223 HydrophobicContact CG1-CB 4.16Å; S220-H223 PolarHBondContact O-N 3.39Å; S220-H223 VanDerWaalsContact O-N 3.08Å; S220-H223 WeakPolarHBondContact OG-CB 3.42Å; S220-H223 PolarHBondContact OG-N 2.9Å; H223-E225 VanDerWaalsContact C-N 3.34Å; H223-M226 PolarHBondContact O-N 3.02Å; H223-T227 WeakPolarHBondContact O-CB 3.09Å; H223-T227 WeakPolarHBondContact O-CG2 3.49Å; H223-T227 PolarHBondContact O-N 3.23Å; H223-T227 PolarHBondContact O-OG1 3.43Å; H223-R231 PolarHBondContact NE2-NH1 3.43Å
224	L	94.7	Very high	89.5	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-61.6	-44.3	169.8	-172.1	66	0	0	0	110.3	I219 S220 L221 M226 T227 W228 F234 L237 Y301 V303 M326 I328	I219-L224 HydrophobicContact CD1-CB 4.15Å; I219-L224 HydrophobicContact CD1-CD1 4.11Å; I219-L224 HydrophobicContact CG1-CB 4.43Å; S220-L224 PolarHBondContact O-N 3.45Å; L221-L224 PolarHBondContact O-N 3.2Å; L224-M226 VanDerWaalsContact C-N 3.28Å; L224-M226 PolarHBondContact O-N 3.04Å; L224-T227 PolarHBondContact O-N 3.28Å; L224-W228 HydrophobicContact CD1-CB 4.4Å; L224-W228 WeakPolarHBondContact O-CB 3.39Å; L224-W228 PolarHBondContact O-N 2.83Å; L224-F234 HydrophobicContact CD1-CB 4.3Å; L224-F234 HydrophobicContact CD1-CD1 3.46Å; L224-F234 VanDerWaalsContact CD1-CD1 3.46Å; L224-F234 HydrophobicContact CD1-CE1 3.94Å; L224-F234 HydrophobicContact CD1-CG 3.88Å; L224-L237 HydrophobicContact CD2-CD1 4Å; L224-L237 HydrophobicContact CD2-CD2 4.37Å; L224-Y301 HydrophobicContact CD1-CE2 4.31Å; L224-Y301 HydrophobicContact CD2-CE2 3.92Å; L224-V303 HydrophobicContact CD1-CG2 4.22Å; L224-V303 HydrophobicContact CD2-CG2 4.07Å; L224-V303 HydrophobicContact CG-CG2 4.38Å; L224-M326 HydrophobicContact CB-CE 4.21Å; L224-M326 HydrophobicContact CD2-CE 4.19Å; L224-M326 HydrophobicContact CD2-SD 3.87Å; L224-M326 HydrophobicContact CG-CE 3.88Å; L224-M326 HydrophobicContact CG-SD 4.17Å; L224-I328 HydrophobicContact CD2-CD1 4.38Å
225	E	94	Very high	90	Very high	34 Å²	34	76.6 Å²	76.6	16%	0.159	38%	0.376	C	S	.	.	H	α-helix	trans	-57.7	-39.5	177.3	-167.5	-178	-162.1	0	0	112.9	L221 S222 H223 T227 K321 I323 T325 M326	L221-E225 PolarHBondContact O-N 2.84Å; S222-E225 PolarHBondContact O-N 2.89Å; H223-E225 VanDerWaalsContact C-N 3.34Å; E225-T227 VanDerWaalsContact C-N 3.3Å; E225-T227 PolarHBondContact O-N 3.37Å; E225-K321 IonicContact OE1-NZ 2.59Å; E225-K321 IonicContact OE2-NZ 3.76Å; E225-K321 PolarHBondContact OE2-NZ 2.84Å; E225-I323 HydrophobicContact CB-CG2 4.42Å; E225-I323 HydrophobicContact CG-CG2 4.12Å; E225-T325 WeakPolarHBondContact CG-OG1 3.43Å; E225-T325 WeakPolarHBondContact OE1-CG2 3.39Å; E225-T325 PolarHBondContact OE1-OG1 3.23Å; E225-M326 HydrophobicContact CB-CE 3.82Å; E225-M326 HydrophobicContact CG-CE 4.3Å; E225-M326 VanDerWaalsContact N-CE 3.34Å
226	M	91.7	Very high	90.6	Very high	145 Å²	145	70 Å²	70	71%	0.714	34%	0.342	S	S	*	.	H	α-helix	trans	-75.8	-12.7	177.7	-65.2	178.8	-178.1	0	0	114.3	S222 H223 L224	S222-M226 WeakPolarHBondContact O-CG 3.44Å; S222-M226 PolarHBondContact O-N 3.06Å; H223-M226 PolarHBondContact O-N 3.02Å; L224-M226 VanDerWaalsContact C-N 3.28Å; L224-M226 PolarHBondContact O-N 3.04Å
227	T	91.2	Very high	90.9	Very high	18 Å²	18	68.7 Å²	68.7	11%	0.11	33%	0.334	C	S	.	.	H	α-helix	trans	-130.8	-9.9	-168.3	62.4	0	0	0	0	116.3	H223 L224 E225 T229 N230 R231	H223-T227 WeakPolarHBondContact O-CB 3.09Å; H223-T227 WeakPolarHBondContact O-CG2 3.49Å; H223-T227 PolarHBondContact O-N 3.23Å; H223-T227 PolarHBondContact O-OG1 3.43Å; L224-T227 PolarHBondContact O-N 3.28Å; E225-T227 VanDerWaalsContact C-N 3.3Å; E225-T227 PolarHBondContact O-N 3.37Å; T227-T229 VanDerWaalsContact C-N 3.32Å; T227-T229 PolarHBondContact O-N 2.94Å; T227-N230 PolarHBondContact O-N 3.46Å; T227-N230 VanDerWaalsContact O-N 3.14Å; T227-R231 VanDerWaalsContact CB-NH1 3.34Å; T227-R231 PolarHBondContact OG1-NH1 3.45Å
228	W	90.4	Very high	91.1	Very high	52 Å²	52	61.3 Å²	61.3	20%	0.197	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-65	-30.1	-172.3	75.8	-86.7	0	0	0	114.7	L224 N230 R231 F234 V303 K305 M326	L224-W228 HydrophobicContact CD1-CB 4.4Å; L224-W228 WeakPolarHBondContact O-CB 3.39Å; L224-W228 PolarHBondContact O-N 2.83Å; W228-N230 PolarHBondContact O-N 2.85Å; W228-R231 VanDerWaalsContact O-O 3.14Å; W228-F234 HydrophobicContact CB-CE1 4.17Å; W228-F234 HydrophobicContact CB-CZ 4.3Å; W228-V303 HydrophobicContact CB-CB 4.17Å; W228-V303 HydrophobicContact CB-CG1 3.79Å; W228-V303 HydrophobicContact CD2-CG1 3.72Å; W228-V303 HydrophobicContact CE3-CB 4.26Å; W228-V303 HydrophobicContact CE3-CG1 3.77Å; W228-V303 HydrophobicContact CG-CG1 3.75Å; W228-K305 HydrophobicContact CH2-CB 3.96Å; W228-K305 HydrophobicContact CZ2-CB 4.43Å; W228-M326 HydrophobicContact CG-CE 4.3Å
229	T	89	Confident	91.2	Very high	93 Å²	93	58 Å²	58	57%	0.571	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-68.4	-21.9	177.2	50.8	0	0	0	0	113.6	T227	T227-T229 VanDerWaalsContact C-N 3.32Å; T227-T229 PolarHBondContact O-N 2.94Å
230	N	84.6	Confident	91.2	Very high	138 Å²	138	59 Å²	59	74%	0.738	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-108.5	6.5	-171.4	-63.2	-33.1	0	0	0	113.1	T227 W228	T227-N230 PolarHBondContact O-N 3.46Å; T227-N230 VanDerWaalsContact O-N 3.14Å; W228-N230 PolarHBondContact O-N 2.85Å
231	R	80.2	Confident	91.2	Very high	111 Å²	111	57.1 Å²	57.1	42%	0.419	28%	0.275	S	S	.	.			trans	-139.8	147.2	-175.8	-67.8	176	177.2	157.4	-2.5	110	H223 T227 W228 F234	H223-R231 PolarHBondContact NE2-NH1 3.43Å; T227-R231 VanDerWaalsContact CB-NH1 3.34Å; T227-R231 PolarHBondContact OG1-NH1 3.45Å; W228-R231 VanDerWaalsContact O-O 3.14Å; R231-F234 HydrophobicContact CB-CD1 4.26Å; R231-F234 HydrophobicContact CB-CE1 3.71Å; R231-F234 HydrophobicContact CB-CZ 4.46Å; R231-F234 WeakPolarHBondContact O-CZ 3.48Å
232	R	74.8	Confident	90.9	Very high	235 Å²	235	57.4 Å²	57.4	89%	0.887	28%	0.276	S	S	*	.	S	Bend	trans	-100.2	-32.9	172.1	-66.8	-172.4	179.9	-167.9	0.4	113.1
233	N	83.5	Confident	90.8	Very high	139 Å²	139	56.5 Å²	56.5	74%	0.743	27%	0.268	S	S	*	.	S	Bend	trans	-112.7	145.7	179.8	-57.4	26.9	0	0	0	108.6
234	F	90.2	Very high	90.8	Very high	32 Å²	32	54.4 Å²	54.4	14%	0.14	26%	0.258	C	S	.	.			trans	-127.9	148.7	-173.2	-54.4	-68.6	0	0	0	111.7	L224 W228 R231 Y301 V303	L224-F234 HydrophobicContact CD1-CB 4.3Å; L224-F234 HydrophobicContact CD1-CD1 3.46Å; L224-F234 VanDerWaalsContact CD1-CD1 3.46Å; L224-F234 HydrophobicContact CD1-CE1 3.94Å; L224-F234 HydrophobicContact CD1-CG 3.88Å; W228-F234 HydrophobicContact CB-CE1 4.17Å; W228-F234 HydrophobicContact CB-CZ 4.3Å; R231-F234 HydrophobicContact CB-CD1 4.26Å; R231-F234 HydrophobicContact CB-CE1 3.71Å; R231-F234 HydrophobicContact CB-CZ 4.46Å; R231-F234 WeakPolarHBondContact O-CZ 3.48Å; F234-Y301 HydrophobicContact CB-CE1 4.11Å; F234-Y301 HydrophobicContact CB-CE2 3.89Å; F234-Y301 VanDerWaalsContact CB-CZ 3.48Å; F234-Y301 WeakPolarHBondContact CB-OH 3.36Å; F234-Y301 HydrophobicContact CD2-CD2 4.2Å; F234-Y301 AromaticContact CD2-CE2 3.77Å; F234-Y301 HydrophobicContact CD2-CE2 3.77Å; F234-Y301 AromaticContact CG-CE2 3.96Å; F234-Y301 HydrophobicContact CG-CE2 3.96Å; F234-V303 HydrophobicContact CD2-CG2 4.03Å; F234-V303 HydrophobicContact CE2-CB 4.11Å; F234-V303 HydrophobicContact CE2-CG2 3.7Å; F234-V303 HydrophobicContact CZ-CB 4.23Å; F234-V303 HydrophobicContact CZ-CG2 4.04Å
235	P	93.8	Very high	90.8	Very high	33 Å²	33	54.5 Å²	54.5	21%	0.214	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-64.7	165.5	166.7	-12.6	28	0	0	0	111.1	K217 I219 Y301	K217-P235 HydrophobicContact CB-CB 4.38Å; K217-P235 HydrophobicContact CD-CB 4.44Å; K217-P235 HydrophobicContact CD-CG 4.44Å; K217-P235 HydrophobicContact CG-CB 4.08Å; K217-P235 WeakPolarHBondContact O-CB 3.34Å; I219-P235 HydrophobicContact CB-CB 3.96Å; I219-P235 HydrophobicContact CB-CG 4Å; I219-P235 HydrophobicContact CD1-CG 4.32Å; I219-P235 HydrophobicContact CG2-CB 4.13Å; I219-P235 HydrophobicContact CG2-CG 4.4Å; I219-P235 VanDerWaalsContact CG2-O 3.3Å; I219-P235 WeakPolarHBondContact CG2-O 3.08Å; P235-Y301 WeakPolarHBondContact O-CE1 3.48Å; P235-Y301 PolarHBondContact O-OH 3.47Å; P235-Y301 VanDerWaalsContact O-OH 3.09Å
236	A	95.4	Very high	90.7	Very high	8 Å²	8	53.3 Å²	53.3	7%	0.066	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	143.9	-176	0	0	0	0	0	111.9	T216 K217 I218 I219 L297 L298 Q299	T216-A236 HydrophobicContact CG2-CB 3.98Å; K217-A236 PolarHBondContact O-N 2.91Å; I218-A236 CarbonylContact C-O 3.38Å; I218-A236 VanDerWaalsContact CA-O 3.24Å; I218-A236 WeakPolarHBondContact CA-O 3.47Å; I219-A236 PolarHBondContact N-O 3Å; A236-L297 HydrophobicContact CB-CD1 3.71Å; A236-L297 HydrophobicContact CB-CG 4.36Å; A236-L298 CarbonylContact C-O 3.44Å; A236-L298 VanDerWaalsContact CA-O 3.29Å; A236-L298 WeakPolarHBondContact CA-O 3.49Å; A236-Q299 HydrophobicContact CB-CG 3.76Å
237	L	96.5	Very high	90.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	135	170.9	-77.1	169.3	0	0	0	110.3	I219 L221 L224 V239 L297 L298 Y301 I328	I219-L237 HydrophobicContact CG2-CD2 3.72Å; I219-L237 HydrophobicContact CG2-CG 4.11Å; I219-L237 WeakPolarHBondContact O-CD2 3.46Å; L221-L237 HydrophobicContact CD2-CD1 4.07Å; L221-L237 HydrophobicContact CD2-CD2 3.62Å; L221-L237 HydrophobicContact CD2-CG 4.49Å; L221-L237 HydrophobicContact CG-CD2 4.25Å; L224-L237 HydrophobicContact CD2-CD1 4Å; L224-L237 HydrophobicContact CD2-CD2 4.37Å; L237-V239 HydrophobicContact CB-CG1 4.32Å; L237-L297 CarbonylContact O-C 3.51Å; L237-L297 VanDerWaalsContact O-CA 3.32Å; L237-L297 WeakPolarHBondContact O-CA 3.47Å; L237-L298 HydrophobicContact CB-CB 4.28Å; L237-L298 PolarHBondContact N-O 2.89Å; L237-L298 PolarHBondContact O-N 3.03Å; L237-Y301 HydrophobicContact CB-CE1 4.27Å; L237-Y301 HydrophobicContact CD1-CD1 4.31Å; L237-Y301 HydrophobicContact CD1-CD2 4.39Å; L237-Y301 HydrophobicContact CD1-CE1 3.7Å; L237-Y301 HydrophobicContact CD1-CE2 3.79Å; L237-Y301 VanDerWaalsContact CD1-CZ 3.41Å; L237-Y301 HydrophobicContact CG-CE1 3.74Å; L237-Y301 HydrophobicContact CG-CE2 4.48Å; L237-Y301 WeakPolarHBondContact CG-OH 3.48Å; L237-I328 HydrophobicContact CD1-CD1 3.38Å; L237-I328 HydrophobicContact CD1-CG1 4.48Å
238	L	96.9	Very high	90.8	Very high	10 Å²	10	49.6 Å²	49.6	5%	0.052	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	107.2	173.8	-175.9	64.4	0	0	0	108.7	F213 I218 V295 L296 L297 I342 W351	F213-L238 HydrophobicContact CE1-CD1 4.32Å; F213-L238 HydrophobicContact CE1-CD2 4.19Å; F213-L238 HydrophobicContact CZ-CD1 4.49Å; I218-L238 HydrophobicContact CD1-CB 4.18Å; I218-L238 HydrophobicContact CD1-CD2 3.85Å; I218-L238 HydrophobicContact CG2-CB 4.12Å; L238-V295 HydrophobicContact CD1-CG1 3.66Å; L238-V295 HydrophobicContact CG-CG1 4.34Å; L238-L296 WeakPolarHBondContact CA-O 3.36Å; L238-L297 HydrophobicContact CB-CD1 4.33Å; L238-L297 HydrophobicContact CD1-CB 4.37Å; L238-L297 HydrophobicContact CD1-CD1 4.3Å; L238-I342 HydrophobicContact CD1-CG1 4.11Å; L238-W351 HydrophobicContact CD1-CZ3 4.29Å; L238-W351 HydrophobicContact CD2-CD2 3.52Å; L238-W351 HydrophobicContact CD2-CE3 3.61Å; L238-W351 HydrophobicContact CD2-CG 4.07Å; L238-W351 HydrophobicContact CD2-CH2 3.9Å; L238-W351 HydrophobicContact CD2-CZ2 3.82Å; L238-W351 HydrophobicContact CD2-CZ3 3.77Å; L238-W351 HydrophobicContact CG-CE3 4.36Å; L238-W351 HydrophobicContact CG-CZ3 4.43Å
239	V	96.5	Very high	90.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	148.5	-165.1	-68	0	0	0	0	111.7	L221 L237 V267 A268 D269 V295 L296 L298	L221-V239 HydrophobicContact CD1-CG1 4.09Å; L221-V239 HydrophobicContact CD2-CG1 4.46Å; L221-V239 HydrophobicContact CG-CG1 4.34Å; L237-V239 HydrophobicContact CB-CG1 4.32Å; V239-V267 HydrophobicContact CB-CB 3.95Å; V239-V267 HydrophobicContact CB-CG2 3.88Å; V239-V267 HydrophobicContact CG1-CG2 4.05Å; V239-V267 HydrophobicContact CG2-CB 3.88Å; V239-V267 HydrophobicContact CG2-CG1 4.42Å; V239-V267 HydrophobicContact CG2-CG2 3.78Å; V239-A268 WeakPolarHBondContact CA-O 3.35Å; V239-D269 HydrophobicContact CG1-CB 4.36Å; V239-V295 CarbonylContact O-C 3.54Å; V239-V295 WeakPolarHBondContact O-CA 3.1Å; V239-L296 HydrophobicContact CG2-CB 4.38Å; V239-L296 PolarHBondContact N-O 2.87Å; V239-L296 PolarHBondContact O-N 3.46Å; V239-L298 HydrophobicContact CG2-CD1 4.09Å
240	R	95.4	Very high	90.8	Very high	33 Å²	33	46.7 Å²	46.7	13%	0.125	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	136.8	170.8	-161.1	-176	-71.6	-88.2	11.3	110.4	L242 V267 A268 G293 L294 V295 E344 P354	R240-L242 PolarHBondContact O-N 3.34Å; R240-V267 VanDerWaalsContact O-CA 3.3Å; R240-V267 WeakPolarHBondContact O-CA 3.46Å; R240-A268 PolarHBondContact N-O 3.17Å; R240-A268 PolarHBondContact O-N 3.31Å; R240-G293 WeakPolarHBondContact CD-O 3.37Å; R240-G293 VanDerWaalsContact CG-O 3.24Å; R240-G293 WeakPolarHBondContact CG-O 3.46Å; R240-G293 PolarHBondContact NH1-O 3.41Å; R240-L294 WeakPolarHBondContact CA-O 3.34Å; R240-L294 WeakPolarHBondContact CG-O 3.24Å; R240-V295 HydrophobicContact CB-CG2 4.29Å; R240-V295 HydrophobicContact CG-CG2 4.07Å; R240-E344 IonicContact CZ-OE1 2.78Å; R240-E344 IonicContact CZ-OE2 3.14Å; R240-E344 IonicContact NH1-OE1 2.6Å; R240-E344 PolarHBondContact NH1-OE1 3.5Å; R240-E344 IonicContact NH1-OE2 3.66Å; R240-E344 PolarHBondContact NH1-OE2 3.42Å; R240-E344 IonicContact NH2-OE1 2.67Å; R240-E344 PolarHBondContact NH2-OE1 3.41Å; R240-E344 IonicContact NH2-OE2 3.19Å; R240-P354 WeakPolarHBondContact CD-O 3.39Å; R240-P354 PolarHBondContact NE-O 3.37Å
241	I	94.3	Very high	90.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	118.1	172.3	-56.9	174.2	0	0	0	109	H243 L265 V267 L290 V292 G293 L294 L296	I241-H243 WeakPolarHBondContact CG2-O 3.47Å; I241-L265 HydrophobicContact CD1-CD1 4.37Å; I241-L265 HydrophobicContact CG2-CD2 4.39Å; I241-V267 HydrophobicContact CG1-CG1 4.39Å; I241-L290 HydrophobicContact CD1-CB 4.23Å; I241-L290 HydrophobicContact CD1-CD2 4.3Å; I241-V292 HydrophobicContact CG2-CG2 4.34Å; I241-G293 PolarHBondContact O-N 2.82Å; I241-L294 HydrophobicContact CD1-CB 4.36Å; I241-L294 PolarHBondContact N-O 2.88Å; I241-L296 HydrophobicContact CD1-CD1 4Å; I241-L296 HydrophobicContact CD1-CD2 4.45Å; I241-L296 HydrophobicContact CD1-CG 4.21Å; I241-L296 HydrophobicContact CG1-CD1 4.13Å; I241-L296 HydrophobicContact CG1-CG 4.23Å
242	L	90.9	Very high	91.1	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-44.2	175.1	-64.4	-173.2	0	0	0	112.1	R240 E266 A268 T273 V292 V316 P354 L356	R240-L242 PolarHBondContact O-N 3.34Å; L242-E266 PolarHBondContact N-O 2.85Å; L242-A268 HydrophobicContact CD1-CB 3.55Å; L242-A268 HydrophobicContact CG-CB 4.01Å; L242-T273 HydrophobicContact CD1-CG2 4.18Å; L242-V292 VanDerWaalsContact O-CG1 3.23Å; L242-V292 WeakPolarHBondContact O-CG1 3.02Å; L242-V316 HydrophobicContact CB-CG2 4.09Å; L242-V316 HydrophobicContact CD1-CB 4.35Å; L242-V316 HydrophobicContact CD1-CG2 4.01Å; L242-V316 HydrophobicContact CG-CG2 4.45Å; L242-P354 HydrophobicContact CD2-CB 4.44Å; L242-P354 HydrophobicContact CD2-CG 4.17Å; L242-L356 HydrophobicContact CD2-CD2 4.21Å
243	H	89.9	Confident	91.3	Very high	18 Å²	18	29.3 Å²	29.3	8%	0.083	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155.6	176.8	-58.6	-71.1	0	0	0	110.6	I241 L265 E266 V316 Q442 E463	I241-H243 WeakPolarHBondContact CG2-O 3.47Å; H243-L265 CarbonylContact O-C 3.59Å; H243-L265 WeakPolarHBondContact O-CA 3.41Å; H243-E266 HydrophobicContact CB-CB 4.1Å; H243-E266 HydrophobicContact CB-CG 4.12Å; H243-E266 PolarHBondContact N-O 3.06Å; H243-E266 PolarHBondContact O-N 2.97Å; H243-V316 WeakPolarHBondContact NE2-CG2 3.48Å; H243-Q442 PolarHBondContact CE1-OE1 3.4Å; H243-Q442 VanDerWaalsContact CE1-OE1 3.23Å; H243-E463 HydrophobicContact CB-CB 4.5Å; H243-E463 HydrophobicContact CB-CG 4.36Å
244	K	92.9	Very high	90.8	Very high	37 Å²	37	26.6 Å²	26.6	16%	0.161	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	122.5	177.7	169.8	-178.6	175	-172.3	0	107.1	L265 Y287 L290 V292	K244-L265 HydrophobicContact CB-CD2 3.82Å; K244-L265 HydrophobicContact CD-CD2 4.4Å; K244-L265 HydrophobicContact CG-CD2 3.75Å; K244-Y287 HydrophobicContact CD-CE2 4.36Å; K244-Y287 WeakPolarHBondContact CE-O 3.4Å; K244-Y287 HydrophobicContact CG-CE2 4.31Å; K244-Y287 PolarHBondContact NZ-O 2.74Å; K244-L290 WeakPolarHBondContact CD-O 3.5Å; K244-L290 WeakPolarHBondContact CE-O 3.39Å; K244-L290 PolarHBondContact NZ-O 2.87Å; K244-V292 HydrophobicContact CB-CG2 3.95Å
245	S	93.8	Very high	90	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.021	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-75.3	158.9	174	79.2	0	0	0	0	110.8	T263 F264 Y287 N462	S245-T263 PolarHBondContact O-OG1 3Å; S245-T263 VanDerWaalsContact O-OG1 3.05Å; S245-T263 PolarHBondContact OG-OG1 2.8Å; S245-F264 PolarHBondContact N-O 2.8Å; S245-F264 PolarHBondContact OG-N 2.79Å; S245-F264 PolarHBondContact OG-O 2.9Å; S245-Y287 WeakPolarHBondContact O-CE2 3.46Å; S245-Y287 PolarHBondContact O-OH 2.83Å; S245-N462 CarbonylContact C-O 3.55Å; S245-N462 VanDerWaalsContact CA-O 3.25Å; S245-N462 WeakPolarHBondContact CA-O 3.36Å
246	K	93.1	Very high	89.1	Confident	9 Å²	9	35.7 Å²	35.7	4%	0.039	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-60.5	157.3	158.9	64.8	177.7	172.3	174.2	0	111.9	E195 S422 S424 N462	E195-K246 VanDerWaalsContact OE2-CE 3.3Å; E195-K246 WeakPolarHBondContact OE2-CE 3.46Å; E195-K246 IonicContact OE2-NZ 3.54Å; E195-K246 PolarHBondContact OE2-NZ 3.11Å; K246-S422 WeakPolarHBondContact CD-O 3.32Å; K246-S422 PolarHBondContact NZ-O 3.49Å; K246-S422 VanDerWaalsContact NZ-O 3.09Å; K246-S424 WeakPolarHBondContact CB-OG 3.22Å; K246-N462 HydrophobicContact CG-CB 4.39Å; K246-N462 PolarHBondContact N-O 2.71Å
247	L	93.6	Very high	88.2	Confident	0 Å²	0	38 Å²	38	0%	0	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-66.4	147	176.7	-68.4	162.3	0	0	0	110.8	P197 W202 Y261 C283 Y287 S424	P197-L247 HydrophobicContact CB-CD1 4.13Å; P197-L247 HydrophobicContact CG-CD1 4.43Å; W202-L247 HydrophobicContact CE3-CD1 4.32Å; W202-L247 HydrophobicContact CH2-CD1 3.41Å; W202-L247 VanDerWaalsContact CH2-CD1 3.41Å; W202-L247 HydrophobicContact CH2-CD2 3.82Å; W202-L247 HydrophobicContact CH2-CG 4.27Å; W202-L247 HydrophobicContact CZ2-CD1 4.19Å; W202-L247 HydrophobicContact CZ3-CD1 3.48Å; W202-L247 VanDerWaalsContact CZ3-CD1 3.48Å; W202-L247 HydrophobicContact CZ3-CD2 3.95Å; W202-L247 HydrophobicContact CZ3-CG 4.37Å; L247-Y261 HydrophobicContact CB-CD1 4.47Å; L247-C283 HydrophobicContact CD2-CB 4.09Å; L247-Y287 HydrophobicContact CD1-CD1 3.85Å; L247-Y287 HydrophobicContact CD1-CE1 3.94Å; L247-Y287 HydrophobicContact CD1-CG 4.2Å; L247-Y287 HydrophobicContact CD2-CD1 4.26Å; L247-Y287 HydrophobicContact CD2-CD2 3.56Å; L247-Y287 HydrophobicContact CD2-CE2 3.9Å; L247-Y287 HydrophobicContact CD2-CG 3.76Å; L247-Y287 HydrophobicContact CG-CD1 4Å; L247-Y287 HydrophobicContact CG-CD2 3.89Å; L247-Y287 HydrophobicContact CG-CE1 3.91Å; L247-Y287 HydrophobicContact CG-CE2 3.78Å; L247-Y287 HydrophobicContact CG-CG 4.01Å; L247-S424 WeakPolarHBondContact CB-OG 3.49Å; L247-S424 PolarHBondContact N-OG 2.95Å
248	R	91.6	Very high	87.6	Confident	84 Å²	84	42.5 Å²	42.5	32%	0.317	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	107.3	169.5	-64.6	177.7	179	164	1.1	109.6	Q262 N462	R248-Q262 HydrophobicContact CB-CG 3.88Å; R248-Q262 PolarHBondContact N-O 2.89Å; R248-Q262 PolarHBondContact O-N 3.46Å; R248-N462 PolarHBondContact NH2-ND2 3.1Å; R248-N462 PolarHBondContact NH2-OD1 3.29Å
249	Y	90.9	Very high	87.1	Confident	26 Å²	26	43.3 Å²	43.3	10%	0.102	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	131.3	164.4	-174.3	-102.7	0	0	0	109.9	L78 H187 L189 N194 P260 Y261	L78-Y249 HydrophobicContact CD2-CE1 3.95Å; H187-Y249 AromaticContact NE2-CE2 3.66Å; L189-Y249 HydrophobicContact CD1-CE1 4.09Å; L189-Y249 HydrophobicContact CD2-CD2 3.83Å; L189-Y249 HydrophobicContact CD2-CE1 4.39Å; L189-Y249 HydrophobicContact CD2-CE2 3.5Å; L189-Y249 HydrophobicContact CD2-CG 4.38Å; N194-Y249 VanDerWaalsContact O-CB 3.22Å; N194-Y249 WeakPolarHBondContact O-CB 3.42Å; Y249-P260 HydrophobicContact CD2-CG 4.31Å; Y249-P260 HydrophobicContact CE2-CG 3.65Å; Y249-Y261 HydrophobicContact CD2-CD1 4.13Å; Y249-Y261 HydrophobicContact CD2-CD2 4.29Å; Y249-Y261 AromaticContact CD2-CE1 3.8Å; Y249-Y261 HydrophobicContact CD2-CE1 3.8Å; Y249-Y261 AromaticContact CD2-CE2 3.95Å; Y249-Y261 HydrophobicContact CD2-CE2 3.95Å; Y249-Y261 HydrophobicContact CD2-CG 4.37Å; Y249-Y261 AromaticContact CD2-CZ 3.7Å; Y249-Y261 HydrophobicContact CE2-CE2 4.35Å; Y249-Y261 HydrophobicContact CG-CE1 4.34Å
250	Y	88.6	Confident	86.8	Confident	58 Å²	58	43.3 Å²	43.3	23%	0.227	20%	0.199	C	C	.	.			trans	-127.7	11.9	178.5	65.3	-97.5	0	0	0	113.4	M257 P260 Y261 Q262 W279 N280	Y250-M257 HydrophobicContact CE2-CE 3.68Å; Y250-M257 HydrophobicContact CE2-SD 4.02Å; Y250-P260 WeakPolarHBondContact CD1-O 3.46Å; Y250-P260 HydrophobicContact CD2-CB 4.11Å; Y250-P260 HydrophobicContact CE2-CB 3.78Å; Y250-P260 PolarHBondContact N-O 3.17Å; Y250-Y261 VanDerWaalsContact CE1-C 3.42Å; Y250-Y261 WeakPolarHBondContact CE1-O 3.47Å; Y250-Q262 HydrophobicContact CD1-CB 4.04Å; Y250-Q262 HydrophobicContact CD1-CG 3.87Å; Y250-Q262 HydrophobicContact CE1-CB 3.8Å; Y250-Q262 HydrophobicContact CE1-CG 4.17Å; Y250-W279 AromaticContact CE1-CE3 3.93Å; Y250-W279 HydrophobicContact CE1-CE3 3.93Å; Y250-W279 AromaticContact CE1-CZ3 3.98Å; Y250-W279 HydrophobicContact CE1-CZ3 3.98Å; Y250-W279 AromaticContact CZ-CE3 3.95Å; Y250-N280 PolarHBondContact OH-OD1 2.68Å
251	G	86.4	Confident	86.7	Confident	17 Å²	17	41.8 Å²	41.8	18%	0.175	19%	0.194	C	C	.	.			trans	-57.7	152.6	179.2	0	0	0	0	0	113.7
252	K	83.3	Confident	86.6	Confident	95 Å²	95	43.6 Å²	43.6	41%	0.413	20%	0.202	S	C	.	.			trans	-138.3	171.7	179.7	-55.8	-169.5	179.1	-171.7	0	111.4	K185 D254 K255	K185-K252 PolarHBondContact NZ-O 2.67Å; K252-D254 WeakPolarHBondContact CB-OD1 3.44Å; K252-D254 WeakPolarHBondContact CD-OD1 3.27Å; K252-K255 HydrophobicContact CB-CB 4.48Å; K252-K255 HydrophobicContact CB-CG 4.48Å; K252-K255 HydrophobicContact CD-CG 4.42Å
253	P	78.8	Confident	86.7	Confident	8 Å²	8	43.3 Å²	43.3	5%	0.052	20%	0.2	C	C	.	.	S	Bend	trans	-70.8	-41.9	167.3	-21	35.4	0	0	0	113.2	D81 P91 K255	D81-P253 PolarHBondContact N-O 3.46Å; D81-P253 VanDerWaalsContact N-O 3.11Å; D81-P253 WeakPolarHBondContact OD1-CB 3.34Å; P91-P253 HydrophobicContact CB-CG 4.43Å; P253-K255 PolarHBondContact O-N 2.84Å
254	D	73	Confident	86.9	Confident	81 Å²	81	43.6 Å²	43.6	43%	0.433	20%	0.202	S	C	.	.	S	Bend	trans	-70.3	-13.1	-175.2	64.5	-64	0	0	0	114.2	D81 K252	D81-D254 PolarHBondContact OD2-N 3.05Å; K252-D254 WeakPolarHBondContact CB-OD1 3.44Å; K252-D254 WeakPolarHBondContact CD-OD1 3.27Å
255	K	74.8	Confident	87	Confident	101 Å²	101	42 Å²	42	44%	0.439	19%	0.194	S	C	.	.			trans	-121	105.3	-170.7	-59.1	-152	171.3	-163.3	0	112.6	K252 P253 M257	K252-K255 HydrophobicContact CB-CB 4.48Å; K252-K255 HydrophobicContact CB-CG 4.48Å; K252-K255 HydrophobicContact CD-CG 4.42Å; P253-K255 PolarHBondContact O-N 2.84Å; K255-M257 VanDerWaalsContact C-N 3.3Å; K255-M257 HydrophobicContact CB-CG 4.06Å; K255-M257 HydrophobicContact CB-SD 4.13Å; K255-M257 HydrophobicContact CD-SD 4.22Å; K255-M257 PolarHBondContact O-N 3.17Å
256	K	73.6	Confident	86.9	Confident	155 Å²	155	42.1 Å²	42.1	67%	0.674	20%	0.195	S	C	*	.			trans	-67.6	85.4	168.9	-66.4	174.7	-177.5	170.2	0	109.8
257	M	78	Confident	87	Confident	58 Å²	58	41.7 Å²	41.7	29%	0.286	19%	0.193	S	C	.	.			trans	-129.6	125.4	-179.1	-65.3	-173.9	71.4	0	0	109.2	Y250 K255 P260 N280	Y250-M257 HydrophobicContact CE2-CE 3.68Å; Y250-M257 HydrophobicContact CE2-SD 4.02Å; K255-M257 VanDerWaalsContact C-N 3.3Å; K255-M257 HydrophobicContact CB-CG 4.06Å; K255-M257 HydrophobicContact CB-SD 4.13Å; K255-M257 HydrophobicContact CD-SD 4.22Å; K255-M257 PolarHBondContact O-N 3.17Å; M257-P260 HydrophobicContact CB-CB 3.99Å; M257-P260 HydrophobicContact CB-CG 4.49Å; M257-P260 WeakPolarHBondContact O-CD 3.34Å; M257-N280 VanDerWaalsContact CE-OD1 3.29Å; M257-N280 WeakPolarHBondContact CE-OD1 3.33Å
258	I	82.5	Confident	87	Confident	94 Å²	94	41.7 Å²	41.7	48%	0.482	19%	0.193	S	C	.	.	S	Bend	trans	-75.7	126.4	178	-60.2	171.7	0	0	0	108.1
259	E	87.6	Confident	87.1	Confident	26 Å²	26	38.1 Å²	38.1	12%	0.121	18%	0.18	C	C	.	.	S	Bend	trans	44.6	60.6	177.7	-69.8	136.1	-128.6	0	0	114.2	S186 H187 I201 Y261 N280 A281 P284	S186-E259 VanDerWaalsContact CB-OE1 3.23Å; S186-E259 WeakPolarHBondContact CB-OE1 2.95Å; S186-E259 WeakPolarHBondContact OG-CG 3.46Å; S186-E259 PolarHBondContact OG-OE1 3.01Å; H187-E259 HydrophobicContact CB-CG 4.31Å; H187-E259 WeakPolarHBondContact ND1-CG 3.31Å; I201-E259 HydrophobicContact CD1-CG 3.9Å; E259-Y261 HydrophobicContact CB-CD2 4.33Å; E259-Y261 PolarHBondContact O-N 3.16Å; E259-N280 CarbonylContact O-C 3.59Å; E259-N280 WeakPolarHBondContact O-CA 3.1Å; E259-A281 HydrophobicContact CB-CB 4.24Å; E259-A281 WeakPolarHBondContact OE2-CB 3.48Å; E259-P284 HydrophobicContact CB-CG 4.2Å; E259-P284 HydrophobicContact CG-CG 4.3Å; E259-P284 WeakPolarHBondContact OE2-CG 3.46Å
260	P	90.3	Very high	87.1	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.			trans	-75.5	69.3	-171	32.8	-35.4	0	0	0	112.5	Y249 Y250 M257	Y249-P260 HydrophobicContact CD2-CG 4.31Å; Y249-P260 HydrophobicContact CE2-CG 3.65Å; Y250-P260 WeakPolarHBondContact CD1-O 3.46Å; Y250-P260 HydrophobicContact CD2-CB 4.11Å; Y250-P260 HydrophobicContact CE2-CB 3.78Å; Y250-P260 PolarHBondContact N-O 3.17Å; M257-P260 HydrophobicContact CB-CB 3.99Å; M257-P260 HydrophobicContact CB-CG 4.49Å; M257-P260 WeakPolarHBondContact O-CD 3.34Å
261	Y	91.8	Very high	87.3	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	145.2	170.6	-66.7	-89	0	0	0	109.8	L189 W202 L247 Y249 Y250 E259 N280 C283	L189-Y261 WeakPolarHBondContact CD2-OH 3.46Å; W202-Y261 HydrophobicContact CH2-CD1 4.1Å; W202-Y261 HydrophobicContact CH2-CD2 4.19Å; W202-Y261 HydrophobicContact CH2-CE1 4.31Å; W202-Y261 HydrophobicContact CH2-CE2 4.43Å; W202-Y261 HydrophobicContact CH2-CG 4.03Å; W202-Y261 HydrophobicContact CZ2-CD1 4.09Å; W202-Y261 AromaticContact CZ2-CD2 3.91Å; W202-Y261 HydrophobicContact CZ2-CD2 3.91Å; W202-Y261 AromaticContact CZ2-CE1 3.87Å; W202-Y261 HydrophobicContact CZ2-CE1 3.87Å; W202-Y261 AromaticContact CZ2-CE2 3.71Å; W202-Y261 HydrophobicContact CZ2-CE2 3.71Å; W202-Y261 HydrophobicContact CZ2-CG 4.11Å; W202-Y261 AromaticContact CZ2-CZ 3.66Å; L247-Y261 HydrophobicContact CB-CD1 4.47Å; Y249-Y261 HydrophobicContact CD2-CD1 4.13Å; Y249-Y261 HydrophobicContact CD2-CD2 4.29Å; Y249-Y261 AromaticContact CD2-CE1 3.8Å; Y249-Y261 HydrophobicContact CD2-CE1 3.8Å; Y249-Y261 AromaticContact CD2-CE2 3.95Å; Y249-Y261 HydrophobicContact CD2-CE2 3.95Å; Y249-Y261 HydrophobicContact CD2-CG 4.37Å; Y249-Y261 AromaticContact CD2-CZ 3.7Å; Y249-Y261 HydrophobicContact CE2-CE2 4.35Å; Y249-Y261 HydrophobicContact CG-CE1 4.34Å; Y250-Y261 VanDerWaalsContact CE1-C 3.42Å; Y250-Y261 WeakPolarHBondContact CE1-O 3.47Å; E259-Y261 HydrophobicContact CB-CD2 4.33Å; E259-Y261 PolarHBondContact O-N 3.16Å; Y261-N280 PolarHBondContact O-N 3.32Å; Y261-C283 PolarHBondContact O-SG 3.08Å; Y261-C283 VanDerWaalsContact O-SG 3.41Å
262	Q	92.7	Very high	87.5	Confident	37 Å²	37	38.5 Å²	38.5	17%	0.173	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	152.3	164.8	64.5	-170.2	-27.9	0	0	109.5	R248 Y250 M278 W279	R248-Q262 HydrophobicContact CB-CG 3.88Å; R248-Q262 PolarHBondContact N-O 2.89Å; R248-Q262 PolarHBondContact O-N 3.46Å; Y250-Q262 HydrophobicContact CD1-CB 4.04Å; Y250-Q262 HydrophobicContact CD1-CG 3.87Å; Y250-Q262 HydrophobicContact CE1-CB 3.8Å; Y250-Q262 HydrophobicContact CE1-CG 4.17Å; Q262-M278 WeakPolarHBondContact CA-O 3.32Å; Q262-W279 HydrophobicContact CB-CE3 3.98Å; Q262-W279 HydrophobicContact CB-CZ3 4.05Å
263	T	94.3	Very high	87.9	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	160	165.3	-164.7	0	0	0	0	110.4	S245 M278 Y287	S245-T263 PolarHBondContact O-OG1 3Å; S245-T263 VanDerWaalsContact O-OG1 3.05Å; S245-T263 PolarHBondContact OG-OG1 2.8Å; T263-M278 HydrophobicContact CG2-CB 3.87Å; T263-M278 HydrophobicContact CG2-CE 3.38Å; T263-M278 HydrophobicContact CG2-CG 4.4Å; T263-M278 PolarHBondContact N-O 2.77Å; T263-M278 VanDerWaalsContact N-O 3.09Å; T263-M278 PolarHBondContact O-N 3.46Å; T263-Y287 HydrophobicContact CG2-CD2 3.99Å; T263-Y287 HydrophobicContact CG2-CE2 4.39Å
264	F	93	Very high	88.6	Confident	25 Å²	25	34.1 Å²	34.1	11%	0.11	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	144.3	176	-58	-75.3	0	0	0	110.5	S245 V276 I277	S245-F264 PolarHBondContact N-O 2.8Å; S245-F264 PolarHBondContact OG-N 2.79Å; S245-F264 PolarHBondContact OG-O 2.9Å; F264-V276 WeakPolarHBondContact CA-O 3.44Å; F264-I277 HydrophobicContact CD1-CB 4.28Å; F264-I277 HydrophobicContact CD1-CG1 3.92Å; F264-I277 HydrophobicContact CD1-CG2 3.9Å; F264-I277 HydrophobicContact CE1-CB 4.25Å; F264-I277 HydrophobicContact CE1-CD1 4.02Å; F264-I277 HydrophobicContact CE1-CG1 3.83Å; F264-I277 HydrophobicContact CE1-CG2 3.59Å; F264-I277 HydrophobicContact CZ-CG2 4.34Å
265	L	94.6	Very high	89.5	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.1	164.8	-50.3	170	0	0	0	106.8	I241 H243 K244 V267 V276 L290	I241-L265 HydrophobicContact CD1-CD1 4.37Å; I241-L265 HydrophobicContact CG2-CD2 4.39Å; H243-L265 CarbonylContact O-C 3.59Å; H243-L265 WeakPolarHBondContact O-CA 3.41Å; K244-L265 HydrophobicContact CB-CD2 3.82Å; K244-L265 HydrophobicContact CD-CD2 4.4Å; K244-L265 HydrophobicContact CG-CD2 3.75Å; L265-V267 HydrophobicContact CB-CG1 3.92Å; L265-V276 HydrophobicContact CB-CB 4.27Å; L265-V276 PolarHBondContact N-O 3.24Å; L265-V276 PolarHBondContact O-N 3.46Å; L265-L290 HydrophobicContact CD1-CD1 4.07Å
266	E	92.7	Very high	90.5	Very high	7 Å²	7	25.5 Å²	25.5	3%	0.033	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.8	159.4	-55	-56.9	163.1	0	0	107.1	L242 H243 T273 S275 R310 P313	L242-E266 PolarHBondContact N-O 2.85Å; H243-E266 HydrophobicContact CB-CB 4.1Å; H243-E266 HydrophobicContact CB-CG 4.12Å; H243-E266 PolarHBondContact N-O 3.06Å; H243-E266 PolarHBondContact O-N 2.97Å; E266-T273 HydrophobicContact CB-CG2 4.37Å; E266-S275 PolarHBondContact OE1-OG 3.3Å; E266-S275 WeakPolarHBondContact OE2-CA 3.17Å; E266-S275 WeakPolarHBondContact OE2-CB 3.39Å; E266-S275 PolarHBondContact OE2-N 3.07Å; E266-S275 PolarHBondContact OE2-OG 2.78Å; E266-R310 IonicContact OE1-CZ 2.71Å; E266-R310 IonicContact OE1-NE 3.51Å; E266-R310 IonicContact OE1-NH2 3.58Å; E266-R310 PolarHBondContact OE1-NH2 3.03Å; E266-R310 IonicContact OE2-NH2 3.55Å; E266-P313 HydrophobicContact CG-CG 3.52Å; E266-P313 WeakPolarHBondContact OE1-CD 3.48Å
267	V	94.3	Very high	91.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152	-178	-48.5	0	0	0	0	109.7	V239 R240 I241 L265 T273 V274 V276	V239-V267 HydrophobicContact CB-CB 3.95Å; V239-V267 HydrophobicContact CB-CG2 3.88Å; V239-V267 HydrophobicContact CG1-CG2 4.05Å; V239-V267 HydrophobicContact CG2-CB 3.88Å; V239-V267 HydrophobicContact CG2-CG1 4.42Å; V239-V267 HydrophobicContact CG2-CG2 3.78Å; R240-V267 VanDerWaalsContact O-CA 3.3Å; R240-V267 WeakPolarHBondContact O-CA 3.46Å; I241-V267 HydrophobicContact CG1-CG1 4.39Å; L265-V267 HydrophobicContact CB-CG1 3.92Å; V267-T273 CarbonylContact O-C 3.57Å; V267-T273 WeakPolarHBondContact O-CA 3.18Å; V267-V274 HydrophobicContact CG2-CG1 3.88Å; V267-V274 PolarHBondContact N-O 3.18Å; V267-V274 PolarHBondContact O-N 3.34Å; V267-V274 VanDerWaalsContact O-O 3.13Å; V267-V276 HydrophobicContact CB-CG2 4.26Å; V267-V276 HydrophobicContact CG1-CB 4.43Å; V267-V276 HydrophobicContact CG1-CG2 3.75Å; V267-V276 HydrophobicContact CG2-CG2 3.46Å; V267-V276 VanDerWaalsContact CG2-CG2 3.46Å
268	A	93.8	Very high	92.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	150.9	-178.5	0	0	0	0	0	113	V239 R240 L242 G272 T273 P354	V239-A268 WeakPolarHBondContact CA-O 3.35Å; R240-A268 PolarHBondContact N-O 3.17Å; R240-A268 PolarHBondContact O-N 3.31Å; L242-A268 HydrophobicContact CD1-CB 3.55Å; L242-A268 HydrophobicContact CG-CB 4.01Å; A268-G272 VanDerWaalsContact CA-O 3.26Å; A268-G272 WeakPolarHBondContact CA-O 3.15Å; A268-G272 WeakPolarHBondContact CB-O 3.1Å; A268-T273 HydrophobicContact CB-CG2 4.41Å; A268-P354 HydrophobicContact CB-CG 3.57Å
269	D	93.8	Very high	92.6	Very high	9 Å²	9	14.4 Å²	14.4	5%	0.048	8%	0.078	C	C	.	.			trans	-115	-164.9	166.5	72.9	-2.7	0	0	0	109.6	S220 L221 V239 S271 G272 L353 P354	S220-D269 WeakPolarHBondContact CA-OD2 3.38Å; S220-D269 WeakPolarHBondContact CB-OD2 3.27Å; L221-D269 HydrophobicContact CD1-CB 4.28Å; L221-D269 HydrophobicContact CG-CB 4.44Å; L221-D269 PolarHBondContact N-OD2 3Å; V239-D269 HydrophobicContact CG1-CB 4.36Å; D269-S271 VanDerWaalsContact CG-OG 3.25Å; D269-S271 PolarHBondContact O-N 3.39Å; D269-S271 VanDerWaalsContact OD1-CA 3.3Å; D269-S271 WeakPolarHBondContact OD1-CA 3.43Å; D269-S271 WeakPolarHBondContact OD1-CB 3.4Å; D269-S271 PolarHBondContact OD1-N 2.9Å; D269-S271 PolarHBondContact OD1-OG 3.07Å; D269-S271 PolarHBondContact OD2-OG 2.75Å; D269-S271 VanDerWaalsContact OD2-OG 3.04Å; D269-G272 PolarHBondContact N-O 3.18Å; D269-G272 VanDerWaalsContact N-O 3.11Å; D269-G272 PolarHBondContact OD1-N 3.34Å; D269-L353 HydrophobicContact CB-CD2 4.33Å; D269-P354 WeakPolarHBondContact O-CD 3.38Å
270	S	91.9	Very high	92.7	Very high	78 Å²	78	15.6 Å²	15.6	55%	0.545	9%	0.085	S	C	.	.	S	Bend	trans	-77.1	5.5	176.5	51.6	0	0	0	0	114.8	W351 R352	S270-W351 PolarHBondContact OG-O 2.8Å; S270-R352 WeakPolarHBondContact CB-O 3.35Å
271	S	92.6	Very high	92.7	Very high	31 Å²	31	16.7 Å²	16.7	22%	0.217	9%	0.094	C	C	.	.	S	Bend	trans	-123.7	-20.8	-174.2	81.4	0	0	0	0	114.6	L221 S222 D269	L221-S271 PolarHBondContact N-OG 2.91Å; S222-S271 PolarHBondContact N-OG 3.47Å; S222-S271 WeakPolarHBondContact OG-CB 3.43Å; S222-S271 PolarHBondContact OG-OG 3.06Å; D269-S271 VanDerWaalsContact CG-OG 3.25Å; D269-S271 PolarHBondContact O-N 3.39Å; D269-S271 VanDerWaalsContact OD1-CA 3.3Å; D269-S271 WeakPolarHBondContact OD1-CA 3.43Å; D269-S271 WeakPolarHBondContact OD1-CB 3.4Å; D269-S271 PolarHBondContact OD1-N 2.9Å; D269-S271 PolarHBondContact OD1-OG 3.07Å; D269-S271 PolarHBondContact OD2-OG 2.75Å; D269-S271 VanDerWaalsContact OD2-OG 3.04Å
272	G	90.9	Very high	92.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.094	C	C	.	.			trans	179.5	176.4	174.7	0	0	0	0	0	114.2	L221 A268 D269 I320 K321	L221-G272 WeakPolarHBondContact CD1-O 3.35Å; A268-G272 VanDerWaalsContact CA-O 3.26Å; A268-G272 WeakPolarHBondContact CA-O 3.15Å; A268-G272 WeakPolarHBondContact CB-O 3.1Å; D269-G272 PolarHBondContact N-O 3.18Å; D269-G272 VanDerWaalsContact N-O 3.11Å; D269-G272 PolarHBondContact OD1-N 3.34Å; G272-I320 VanDerWaalsContact C-CG2 3.49Å; G272-K321 CarbonylContact C-O 3.56Å; G272-K321 WeakPolarHBondContact CA-O 2.91Å
273	T	91.9	Very high	92.8	Very high	10 Å²	10	14.9 Å²	14.9	6%	0.061	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.2	170.2	-59	0	0	0	0	108.4	L242 E266 V267 A268 I320 K321 L322 I323	L242-T273 HydrophobicContact CD1-CG2 4.18Å; E266-T273 HydrophobicContact CB-CG2 4.37Å; V267-T273 CarbonylContact O-C 3.57Å; V267-T273 WeakPolarHBondContact O-CA 3.18Å; A268-T273 HydrophobicContact CB-CG2 4.41Å; T273-I320 WeakPolarHBondContact OG1-CG2 3.5Å; T273-K321 PolarHBondContact N-O 3Å; T273-L322 HydrophobicContact CG2-CD1 4.48Å; T273-I323 WeakPolarHBondContact O-CB 3.46Å; T273-I323 PolarHBondContact O-N 3.01Å
274	V	92.6	Very high	92.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	154.9	177.2	79.1	0	0	0	0	111.3	L221 V267 I323 M326 I328	L221-V274 HydrophobicContact CD1-CB 4.26Å; L221-V274 HydrophobicContact CD1-CG1 3.82Å; L221-V274 HydrophobicContact CD2-CB 4.25Å; L221-V274 HydrophobicContact CD2-CG1 3.49Å; L221-V274 VanDerWaalsContact CD2-CG1 3.49Å; L221-V274 HydrophobicContact CG-CG1 4.28Å; V267-V274 HydrophobicContact CG2-CG1 3.88Å; V267-V274 PolarHBondContact N-O 3.18Å; V267-V274 PolarHBondContact O-N 3.34Å; V267-V274 VanDerWaalsContact O-O 3.13Å; V274-I323 HydrophobicContact CB-CB 4.32Å; V274-I323 HydrophobicContact CG2-CB 4.17Å; V274-I323 HydrophobicContact CG2-CG2 4.01Å; V274-M326 HydrophobicContact CG2-CG 3.64Å; V274-M326 HydrophobicContact CG2-SD 4.06Å; V274-I328 HydrophobicContact CG1-CD1 3.58Å; V274-I328 HydrophobicContact CG1-CG1 4.36Å
275	S	93	Very high	92.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127.9	175.5	-64.6	0	0	0	0	112.6	E266 R310 Q312 I328	E266-S275 PolarHBondContact OE1-OG 3.3Å; E266-S275 WeakPolarHBondContact OE2-CA 3.17Å; E266-S275 WeakPolarHBondContact OE2-CB 3.39Å; E266-S275 PolarHBondContact OE2-N 3.07Å; E266-S275 PolarHBondContact OE2-OG 2.78Å; S275-R310 VanDerWaalsContact OG-CZ 3.24Å; S275-R310 PolarHBondContact OG-NE 2.64Å; S275-R310 PolarHBondContact OG-NH2 2.9Å; S275-Q312 PolarHBondContact OG-NE2 2.83Å; S275-I328 PolarHBondContact O-N 3.1Å
276	V	94.9	Very high	92.6	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	141.3	171.8	-177.9	0	0	0	0	109.5	F264 L265 V267 I328 L330	F264-V276 WeakPolarHBondContact CA-O 3.44Å; L265-V276 HydrophobicContact CB-CB 4.27Å; L265-V276 PolarHBondContact N-O 3.24Å; L265-V276 PolarHBondContact O-N 3.46Å; V267-V276 HydrophobicContact CB-CG2 4.26Å; V267-V276 HydrophobicContact CG1-CB 4.43Å; V267-V276 HydrophobicContact CG1-CG2 3.75Å; V267-V276 HydrophobicContact CG2-CG2 3.46Å; V267-V276 VanDerWaalsContact CG2-CG2 3.46Å; V276-I328 CarbonylContact C-O 3.56Å; V276-I328 WeakPolarHBondContact CA-O 3.41Å; V276-I328 HydrophobicContact CG1-CB 4.5Å; V276-I328 HydrophobicContact CG1-CG2 4.3Å; V276-I328 HydrophobicContact CG2-CB 4.09Å; V276-I328 HydrophobicContact CG2-CD1 4.22Å; V276-I328 HydrophobicContact CG2-CG2 4.4Å; V276-L330 HydrophobicContact CG1-CD1 3.68Å; V276-L330 HydrophobicContact CG1-CD2 3.83Å; V276-L330 HydrophobicContact CG1-CG 3.57Å
277	I	93.5	Very high	92.7	Very high	10 Å²	10	17.5 Å²	17.5	5%	0.051	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.5	175.1	-35.6	177.9	0	0	0	109.4	F264 W279 E327 I328 L330	F264-I277 HydrophobicContact CD1-CB 4.28Å; F264-I277 HydrophobicContact CD1-CG1 3.92Å; F264-I277 HydrophobicContact CD1-CG2 3.9Å; F264-I277 HydrophobicContact CE1-CB 4.25Å; F264-I277 HydrophobicContact CE1-CD1 4.02Å; F264-I277 HydrophobicContact CE1-CG1 3.83Å; F264-I277 HydrophobicContact CE1-CG2 3.59Å; F264-I277 HydrophobicContact CZ-CG2 4.34Å; I277-W279 HydrophobicContact CB-CZ2 4.48Å; I277-W279 HydrophobicContact CD1-CZ2 4.16Å; I277-W279 HydrophobicContact CG2-CD2 4.15Å; I277-W279 VanDerWaalsContact CG2-CE2 3.47Å; I277-W279 HydrophobicContact CG2-CG 4.5Å; I277-W279 HydrophobicContact CG2-CZ2 3.7Å; I277-E327 HydrophobicContact CD1-CB 4.03Å; I277-E327 HydrophobicContact CD1-CG 4.42Å; I277-E327 HydrophobicContact CG1-CB 4.3Å; I277-I328 PolarHBondContact N-O 3.43Å; I277-L330 PolarHBondContact O-N 3.32Å
278	M	93.8	Very high	92.6	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.2	174.3	174.3	164.5	68.7	0	0	109.4	Q262 T263 L282 C283 W286 L290	Q262-M278 WeakPolarHBondContact CA-O 3.32Å; T263-M278 HydrophobicContact CG2-CB 3.87Å; T263-M278 HydrophobicContact CG2-CE 3.38Å; T263-M278 HydrophobicContact CG2-CG 4.4Å; T263-M278 PolarHBondContact N-O 2.77Å; T263-M278 VanDerWaalsContact N-O 3.09Å; T263-M278 PolarHBondContact O-N 3.46Å; M278-L282 HydrophobicContact CG-CB 3.94Å; M278-L282 HydrophobicContact CG-CD2 3.93Å; M278-L282 HydrophobicContact CG-CG 3.84Å; M278-L282 HydrophobicContact SD-CB 4.45Å; M278-L282 HydrophobicContact SD-CD2 4.4Å; M278-L282 HydrophobicContact SD-CG 3.95Å; M278-L282 VanDerWaalsContact SD-O 3.4Å; M278-C283 PolarHBondContact O-SG 3.02Å; M278-C283 VanDerWaalsContact O-SG 3.42Å; M278-W286 HydrophobicContact CE-CB 4.26Å; M278-W286 HydrophobicContact SD-CB 3.78Å; M278-L290 HydrophobicContact CE-CD1 4.04Å; M278-L290 HydrophobicContact SD-CD1 4.23Å
279	W	90.3	Very high	92.5	Very high	63 Å²	63	21.7 Å²	21.7	24%	0.239	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.9	-164.9	-66.5	98.9	0	0	0	114.5	Y250 Q262 I277 L282	Y250-W279 AromaticContact CE1-CE3 3.93Å; Y250-W279 HydrophobicContact CE1-CE3 3.93Å; Y250-W279 AromaticContact CE1-CZ3 3.98Å; Y250-W279 HydrophobicContact CE1-CZ3 3.98Å; Y250-W279 AromaticContact CZ-CE3 3.95Å; Q262-W279 HydrophobicContact CB-CE3 3.98Å; Q262-W279 HydrophobicContact CB-CZ3 4.05Å; I277-W279 HydrophobicContact CB-CZ2 4.48Å; I277-W279 HydrophobicContact CD1-CZ2 4.16Å; I277-W279 HydrophobicContact CG2-CD2 4.15Å; I277-W279 VanDerWaalsContact CG2-CE2 3.47Å; I277-W279 HydrophobicContact CG2-CG 4.5Å; I277-W279 HydrophobicContact CG2-CZ2 3.7Å; W279-L282 VanDerWaalsContact O-CB 3.3Å; W279-L282 WeakPolarHBondContact O-CB 3.23Å; W279-L282 PolarHBondContact O-N 3.01Å
280	N	91.1	Very high	92.5	Very high	51 Å²	51	21.3 Å²	21.3	27%	0.273	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-140.9	173.1	-54.4	-72.2	0	0	0	112.2	Y250 M257 E259 Y261 L282 C283 P284	Y250-N280 PolarHBondContact OH-OD1 2.68Å; M257-N280 VanDerWaalsContact CE-OD1 3.29Å; M257-N280 WeakPolarHBondContact CE-OD1 3.33Å; E259-N280 CarbonylContact O-C 3.59Å; E259-N280 WeakPolarHBondContact O-CA 3.1Å; Y261-N280 PolarHBondContact O-N 3.32Å; N280-L282 PolarHBondContact O-N 3.14Å; N280-C283 VanDerWaalsContact O-CB 3.29Å; N280-C283 WeakPolarHBondContact O-CB 3.41Å; N280-C283 PolarHBondContact O-N 3.07Å; N280-P284 WeakPolarHBondContact O-CD 3.44Å
281	A	89.9	Confident	92.4	Very high	23 Å²	23	25.3 Å²	25.3	19%	0.19	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-13.4	178.7	0	0	0	0	0	115.6	E259 C283 P284 E285 L332	E259-A281 HydrophobicContact CB-CB 4.24Å; E259-A281 WeakPolarHBondContact OE2-CB 3.48Å; A281-C283 PolarHBondContact O-N 2.53Å; A281-P284 VanDerWaalsContact O-CD 3.28Å; A281-P284 WeakPolarHBondContact O-CD 3.32Å; A281-P284 WeakPolarHBondContact O-CG 3.27Å; A281-E285 PolarHBondContact O-N 2.81Å; A281-L332 HydrophobicContact CB-CD1 3.61Å
282	L	92	Very high	92.3	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-67.1	-27.4	171.4	-162.2	64.8	0	0	0	111	M278 W279 N280 W286 L330 L332 I339	M278-L282 HydrophobicContact CG-CB 3.94Å; M278-L282 HydrophobicContact CG-CD2 3.93Å; M278-L282 HydrophobicContact CG-CG 3.84Å; M278-L282 HydrophobicContact SD-CB 4.45Å; M278-L282 HydrophobicContact SD-CD2 4.4Å; M278-L282 HydrophobicContact SD-CG 3.95Å; M278-L282 VanDerWaalsContact SD-O 3.4Å; W279-L282 VanDerWaalsContact O-CB 3.3Å; W279-L282 WeakPolarHBondContact O-CB 3.23Å; W279-L282 PolarHBondContact O-N 3.01Å; N280-L282 PolarHBondContact O-N 3.14Å; L282-W286 PolarHBondContact O-N 3.3Å; L282-W286 VanDerWaalsContact O-N 3.09Å; L282-L330 HydrophobicContact CD2-CB 3.6Å; L282-L332 HydrophobicContact CB-CD1 4.14Å; L282-L332 HydrophobicContact CB-CG 4Å; L282-L332 HydrophobicContact CD1-CD2 3.98Å; L282-L332 HydrophobicContact CD1-CG 3.82Å; L282-L332 HydrophobicContact CG-CG 4.44Å; L282-L332 VanDerWaalsContact N-CD1 3.34Å; L282-I339 HydrophobicContact CD1-CD1 4.31Å; L282-I339 HydrophobicContact CD2-CD1 4.28Å; L282-I339 HydrophobicContact CG-CD1 4.5Å
283	C	93.7	Very high	92.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-58.1	173.4	-67.5	0	0	0	0	113.1	W202 L247 Y261 M278 N280 A281 E285 W286 Y287	W202-C283 HydrophobicContact CH2-CB 4.25Å; W202-C283 HydrophobicContact CZ3-CB 4.46Å; L247-C283 HydrophobicContact CD2-CB 4.09Å; Y261-C283 PolarHBondContact O-SG 3.08Å; Y261-C283 VanDerWaalsContact O-SG 3.41Å; M278-C283 PolarHBondContact O-SG 3.02Å; M278-C283 VanDerWaalsContact O-SG 3.42Å; N280-C283 VanDerWaalsContact O-CB 3.29Å; N280-C283 WeakPolarHBondContact O-CB 3.41Å; N280-C283 PolarHBondContact O-N 3.07Å; A281-C283 PolarHBondContact O-N 2.53Å; C283-E285 PolarHBondContact O-N 2.95Å; C283-W286 PolarHBondContact O-N 3.06Å; C283-Y287 WeakPolarHBondContact O-CB 3.43Å; C283-Y287 PolarHBondContact O-N 2.93Å
284	P	92.3	Very high	92.4	Very high	5 Å²	5	29 Å²	29	3%	0.032	14%	0.139	C	C	.	.	H	α-helix	trans	-61.8	-28.8	177.1	21.5	-32	0	0	0	114.5	I201 W202 E259 N280 A281	I201-P284 HydrophobicContact CB-CB 4.09Å; I201-P284 HydrophobicContact CD1-CB 3.74Å; I201-P284 HydrophobicContact CD1-CG 4.03Å; I201-P284 HydrophobicContact CG1-CB 3.75Å; W202-P284 HydrophobicContact CD2-CB 3.9Å; W202-P284 VanDerWaalsContact CE3-CA 3.46Å; W202-P284 HydrophobicContact CE3-CB 3.99Å; W202-P284 HydrophobicContact CG-CB 4.45Å; W202-P284 HydrophobicContact CH2-CB 4.19Å; W202-P284 HydrophobicContact CZ2-CB 4.15Å; W202-P284 VanDerWaalsContact CZ3-CA 3.48Å; W202-P284 HydrophobicContact CZ3-CB 4.12Å; E259-P284 HydrophobicContact CB-CG 4.2Å; E259-P284 HydrophobicContact CG-CG 4.3Å; E259-P284 WeakPolarHBondContact OE2-CG 3.46Å; N280-P284 WeakPolarHBondContact O-CD 3.44Å; A281-P284 VanDerWaalsContact O-CD 3.28Å; A281-P284 WeakPolarHBondContact O-CD 3.32Å; A281-P284 WeakPolarHBondContact O-CG 3.27Å
285	E	91.6	Very high	92.6	Very high	52 Å²	52	29 Å²	29	24%	0.243	14%	0.139	C	C	.	.	H	α-helix	trans	-71.1	-39.4	176.4	-169.3	-171.5	-178.7	0	0	113.7	T204 K206 A281 C283	T204-E285 HydrophobicContact CG2-CG 4.07Å; T204-E285 WeakPolarHBondContact CG2-O 3.36Å; K206-E285 WeakPolarHBondContact CE-OE1 3.48Å; K206-E285 IonicContact NZ-OE1 2.9Å; K206-E285 PolarHBondContact NZ-OE1 2.74Å; A281-E285 PolarHBondContact O-N 2.81Å; C283-E285 PolarHBondContact O-N 2.95Å
286	W	94.1	Very high	92.8	Very high	21 Å²	21	29 Å²	29	8%	0.08	14%	0.139	C	C	.	.	H	α-helix	trans	-116.5	-20.4	-169.8	-70.3	89.4	0	0	0	115.9	K206 M278 L282 C283 K288 S289 L290 I339 I341	K206-W286 HydrophobicContact CB-CE3 3.9Å; K206-W286 HydrophobicContact CB-CH2 4.09Å; K206-W286 HydrophobicContact CB-CZ3 3.58Å; K206-W286 HydrophobicContact CD-CE3 4.47Å; K206-W286 HydrophobicContact CD-CH2 3.8Å; K206-W286 HydrophobicContact CD-CZ2 3.87Å; K206-W286 HydrophobicContact CD-CZ3 4.12Å; K206-W286 HydrophobicContact CG-CD2 3.97Å; K206-W286 HydrophobicContact CG-CE3 3.71Å; K206-W286 HydrophobicContact CG-CH2 3.9Å; K206-W286 HydrophobicContact CG-CZ2 4.17Å; K206-W286 HydrophobicContact CG-CZ3 3.67Å; M278-W286 HydrophobicContact CE-CB 4.26Å; M278-W286 HydrophobicContact SD-CB 3.78Å; L282-W286 PolarHBondContact O-N 3.3Å; L282-W286 VanDerWaalsContact O-N 3.09Å; C283-W286 PolarHBondContact O-N 3.06Å; W286-K288 PolarHBondContact O-N 2.78Å; W286-S289 WeakPolarHBondContact O-CB 3.34Å; W286-S289 PolarHBondContact O-N 2.89Å; W286-S289 VanDerWaalsContact O-N 3.16Å; W286-L290 HydrophobicContact CB-CD1 3.96Å; W286-L290 HydrophobicContact CB-CG 4.24Å; W286-L290 HydrophobicContact CE3-CD2 4.34Å; W286-L290 WeakPolarHBondContact O-CG 3.39Å; W286-L290 PolarHBondContact O-N 2.8Å; W286-I339 HydrophobicContact CD2-CB 4.42Å; W286-I339 HydrophobicContact CD2-CD1 4.24Å; W286-I339 HydrophobicContact CD2-CG2 4.41Å; W286-I339 HydrophobicContact CE3-CB 4.38Å; W286-I339 HydrophobicContact CE3-CG2 3.98Å; W286-I339 HydrophobicContact CG-CD1 4.31Å; W286-I339 HydrophobicContact CH2-CB 4.02Å; W286-I339 HydrophobicContact CH2-CG2 4.23Å; W286-I339 WeakPolarHBondContact CH2-O 3.42Å; W286-I339 HydrophobicContact CZ2-CB 4.03Å; W286-I339 HydrophobicContact CZ3-CB 4.19Å; W286-I339 HydrophobicContact CZ3-CG2 3.9Å; W286-I341 HydrophobicContact CZ3-CD1 4.15Å; W286-I341 HydrophobicContact CZ3-CG1 4.17Å
287	Y	94	Very high	92.8	Very high	11 Å²	11	28.9 Å²	28.9	4%	0.043	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-38.4	-166.7	-178.1	-96.3	0	0	0	114.1	W202 K244 S245 L247 T263 C283 S424	W202-Y287 HydrophobicContact CZ3-CD1 4.47Å; W202-Y287 HydrophobicContact CZ3-CG 4.39Å; K244-Y287 HydrophobicContact CD-CE2 4.36Å; K244-Y287 WeakPolarHBondContact CE-O 3.4Å; K244-Y287 HydrophobicContact CG-CE2 4.31Å; K244-Y287 PolarHBondContact NZ-O 2.74Å; S245-Y287 WeakPolarHBondContact O-CE2 3.46Å; S245-Y287 PolarHBondContact O-OH 2.83Å; L247-Y287 HydrophobicContact CD1-CD1 3.85Å; L247-Y287 HydrophobicContact CD1-CE1 3.94Å; L247-Y287 HydrophobicContact CD1-CG 4.2Å; L247-Y287 HydrophobicContact CD2-CD1 4.26Å; L247-Y287 HydrophobicContact CD2-CD2 3.56Å; L247-Y287 HydrophobicContact CD2-CE2 3.9Å; L247-Y287 HydrophobicContact CD2-CG 3.76Å; L247-Y287 HydrophobicContact CG-CD1 4Å; L247-Y287 HydrophobicContact CG-CD2 3.89Å; L247-Y287 HydrophobicContact CG-CE1 3.91Å; L247-Y287 HydrophobicContact CG-CE2 3.78Å; L247-Y287 HydrophobicContact CG-CG 4.01Å; T263-Y287 HydrophobicContact CG2-CD2 3.99Å; T263-Y287 HydrophobicContact CG2-CE2 4.39Å; C283-Y287 WeakPolarHBondContact O-CB 3.43Å; C283-Y287 PolarHBondContact O-N 2.93Å; Y287-S424 WeakPolarHBondContact OH-CB 3.17Å
288	K	92.1	Very high	93	Very high	81 Å²	81	28.5 Å²	28.5	35%	0.352	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-34.6	179.1	-72.3	-172.2	-179.4	169.4	0	112.8	W202 W286	W202-K288 HydrophobicContact CB-CD 4.38Å; W202-K288 WeakPolarHBondContact O-CD 3.35Å; W202-K288 WeakPolarHBondContact O-CE 3.4Å; W202-K288 PolarHBondContact O-NZ 2.88Å; W286-K288 PolarHBondContact O-N 2.78Å
289	S	92.9	Very high	92.9	Very high	6 Å²	6	30.6 Å²	30.6	4%	0.042	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-42	178.1	-38.2	0	0	0	0	111.8	K206 W286 R291 L294	K206-S289 WeakPolarHBondContact CB-OG 3.45Å; K206-S289 PolarHBondContact N-OG 3.43Å; W286-S289 WeakPolarHBondContact O-CB 3.34Å; W286-S289 PolarHBondContact O-N 2.89Å; W286-S289 VanDerWaalsContact O-N 3.16Å; S289-R291 PolarHBondContact O-N 3.14Å; S289-L294 WeakPolarHBondContact O-CD1 3.45Å
290	L	93.6	Very high	93	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.158	C	C	.	.			trans	-75	118.5	-178.3	-63.1	178.9	0	0	0	111.7	I241 K244 L265 M278 W286 L296 I341	I241-L290 HydrophobicContact CD1-CB 4.23Å; I241-L290 HydrophobicContact CD1-CD2 4.3Å; K244-L290 WeakPolarHBondContact CD-O 3.5Å; K244-L290 WeakPolarHBondContact CE-O 3.39Å; K244-L290 PolarHBondContact NZ-O 2.87Å; L265-L290 HydrophobicContact CD1-CD1 4.07Å; M278-L290 HydrophobicContact CE-CD1 4.04Å; M278-L290 HydrophobicContact SD-CD1 4.23Å; W286-L290 HydrophobicContact CB-CD1 3.96Å; W286-L290 HydrophobicContact CB-CG 4.24Å; W286-L290 HydrophobicContact CE3-CD2 4.34Å; W286-L290 WeakPolarHBondContact O-CG 3.39Å; W286-L290 PolarHBondContact O-N 2.8Å; L290-L296 HydrophobicContact CD2-CD1 4.03Å; L290-L296 HydrophobicContact CD2-CD2 3.63Å; L290-L296 HydrophobicContact CD2-CG 4.46Å; L290-I341 HydrophobicContact CD2-CD1 4.21Å; L290-I341 HydrophobicContact CD2-CG1 4.25Å
291	R	90.4	Very high	93.1	Very high	162 Å²	162	29.8 Å²	29.8	61%	0.611	15%	0.146	S	C	*	.			trans	-124.6	148.7	-179.5	-57.9	179.1	-169.1	-179.6	5.5	110.7	S289 G293 L294	S289-R291 PolarHBondContact O-N 3.14Å; R291-G293 PolarHBondContact O-N 3.02Å; R291-L294 HydrophobicContact CB-CD1 4.13Å; R291-L294 HydrophobicContact CB-CG 4.2Å; R291-L294 WeakPolarHBondContact O-CB 3.39Å; R291-L294 WeakPolarHBondContact O-CG 3.41Å; R291-L294 PolarHBondContact O-N 3.14Å
292	V	90.6	Very high	93.2	Very high	64 Å²	64	29.5 Å²	29.5	39%	0.388	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	135.8	173	172.3	0	0	0	0	109.4	I241 L242 K244 L356	I241-V292 HydrophobicContact CG2-CG2 4.34Å; L242-V292 VanDerWaalsContact O-CG1 3.23Å; L242-V292 WeakPolarHBondContact O-CG1 3.02Å; K244-V292 HydrophobicContact CB-CG2 3.95Å; V292-L356 HydrophobicContact CG1-CD1 3.93Å; V292-L356 HydrophobicContact CG1-CD2 3.69Å; V292-L356 HydrophobicContact CG1-CG 4.48Å
293	G	90.7	Very high	93.2	Very high	12 Å²	12	30.3 Å²	30.3	12%	0.124	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	-19.6	-175.2	0	0	0	0	0	115.5	R240 I241 R291	R240-G293 WeakPolarHBondContact CD-O 3.37Å; R240-G293 VanDerWaalsContact CG-O 3.24Å; R240-G293 WeakPolarHBondContact CG-O 3.46Å; R240-G293 PolarHBondContact NH1-O 3.41Å; I241-G293 PolarHBondContact O-N 2.82Å; R291-G293 PolarHBondContact O-N 3.02Å
294	L	93.5	Very high	93	Very high	42 Å²	42	35.3 Å²	35.3	22%	0.22	17%	0.169	C	C	.	.			trans	-65.2	146.9	176.5	-64.9	-179.1	0	0	0	111.7	R240 I241 S289 R291 I341	R240-L294 WeakPolarHBondContact CA-O 3.34Å; R240-L294 WeakPolarHBondContact CG-O 3.24Å; I241-L294 HydrophobicContact CD1-CB 4.36Å; I241-L294 PolarHBondContact N-O 2.88Å; S289-L294 WeakPolarHBondContact O-CD1 3.45Å; R291-L294 HydrophobicContact CB-CD1 4.13Å; R291-L294 HydrophobicContact CB-CG 4.2Å; R291-L294 WeakPolarHBondContact O-CB 3.39Å; R291-L294 WeakPolarHBondContact O-CG 3.41Å; R291-L294 PolarHBondContact O-N 3.14Å; L294-I341 HydrophobicContact CD1-CD1 4.34Å; L294-I341 HydrophobicContact CD1-CG2 4.01Å; L294-I341 HydrophobicContact CD2-CG2 4.31Å
295	V	96.3	Very high	92.9	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.2	169.5	179.7	0	0	0	0	108.9	L238 V239 R240 I342 V347 L353	L238-V295 HydrophobicContact CD1-CG1 3.66Å; L238-V295 HydrophobicContact CG-CG1 4.34Å; V239-V295 CarbonylContact O-C 3.54Å; V239-V295 WeakPolarHBondContact O-CA 3.1Å; R240-V295 HydrophobicContact CB-CG2 4.29Å; R240-V295 HydrophobicContact CG-CG2 4.07Å; V295-I342 HydrophobicContact CB-CB 4.27Å; V295-I342 HydrophobicContact CG1-CB 4.17Å; V295-I342 HydrophobicContact CG1-CG1 4.36Å; V295-I342 PolarHBondContact O-N 2.73Å; V295-V347 HydrophobicContact CB-CG2 3.93Å; V295-V347 HydrophobicContact CG1-CG2 4.38Å; V295-V347 HydrophobicContact CG2-CG1 4.09Å; V295-V347 HydrophobicContact CG2-CG2 3.64Å; V295-L353 HydrophobicContact CB-CD1 4.31Å; V295-L353 HydrophobicContact CG1-CD1 3.62Å; V295-L353 HydrophobicContact CG2-CD1 3.64Å
296	L	96.9	Very high	92.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.5	176.5	-54.9	-174.5	0	0	0	110.3	L238 V239 I241 L290 L298 I339 I340 I341	L238-L296 WeakPolarHBondContact CA-O 3.36Å; V239-L296 HydrophobicContact CG2-CB 4.38Å; V239-L296 PolarHBondContact N-O 2.87Å; V239-L296 PolarHBondContact O-N 3.46Å; I241-L296 HydrophobicContact CD1-CD1 4Å; I241-L296 HydrophobicContact CD1-CD2 4.45Å; I241-L296 HydrophobicContact CD1-CG 4.21Å; I241-L296 HydrophobicContact CG1-CD1 4.13Å; I241-L296 HydrophobicContact CG1-CG 4.23Å; L290-L296 HydrophobicContact CD2-CD1 4.03Å; L290-L296 HydrophobicContact CD2-CD2 3.63Å; L290-L296 HydrophobicContact CD2-CG 4.46Å; L296-L298 HydrophobicContact CB-CD2 4.12Å; L296-L298 HydrophobicContact CB-CG 4.21Å; L296-L298 HydrophobicContact CD1-CD2 4.06Å; L296-I339 HydrophobicContact CD1-CG2 4.47Å; L296-I340 WeakPolarHBondContact CA-O 3.39Å; L296-I341 HydrophobicContact CD2-CB 4.47Å; L296-I341 HydrophobicContact CD2-CG1 3.87Å
297	L	96.6	Very high	91.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.6	156.2	-175.3	71	0	0	0	107.6	H211 F213 T216 A236 L237 L238 I340 I342	H211-L297 WeakPolarHBondContact CD2-CD2 3.35Å; H211-L297 WeakPolarHBondContact NE2-CD2 3.37Å; F213-L297 HydrophobicContact CE1-CD1 4.41Å; F213-L297 HydrophobicContact CE1-CD2 4.44Å; T216-L297 HydrophobicContact CG2-CD1 4.13Å; T216-L297 HydrophobicContact CG2-CD2 4.07Å; A236-L297 HydrophobicContact CB-CD1 3.71Å; A236-L297 HydrophobicContact CB-CG 4.36Å; L237-L297 CarbonylContact O-C 3.51Å; L237-L297 VanDerWaalsContact O-CA 3.32Å; L237-L297 WeakPolarHBondContact O-CA 3.47Å; L238-L297 HydrophobicContact CB-CD1 4.33Å; L238-L297 HydrophobicContact CD1-CB 4.37Å; L238-L297 HydrophobicContact CD1-CD1 4.3Å; L297-I340 HydrophobicContact CB-CB 4.32Å; L297-I340 HydrophobicContact CD2-CD1 4.41Å; L297-I340 PolarHBondContact N-O 3.2Å; L297-I340 PolarHBondContact O-N 3.09Å; L297-I342 HydrophobicContact CB-CD1 3.95Å; L297-I342 HydrophobicContact CB-CG1 4.13Å
298	L	95.8	Very high	89.6	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.4	179.4	-57.7	174.6	0	0	0	109.5	A236 L237 V239 L296 Y301 L330 I339	A236-L298 CarbonylContact C-O 3.44Å; A236-L298 VanDerWaalsContact CA-O 3.29Å; A236-L298 WeakPolarHBondContact CA-O 3.49Å; L237-L298 HydrophobicContact CB-CB 4.28Å; L237-L298 PolarHBondContact N-O 2.89Å; L237-L298 PolarHBondContact O-N 3.03Å; V239-L298 HydrophobicContact CG2-CD1 4.09Å; L296-L298 HydrophobicContact CB-CD2 4.12Å; L296-L298 HydrophobicContact CB-CG 4.21Å; L296-L298 HydrophobicContact CD1-CD2 4.06Å; L298-Y301 HydrophobicContact CB-CD1 4.29Å; L298-L330 HydrophobicContact CD1-CD2 4.2Å; L298-L330 HydrophobicContact CD2-CD1 4.24Å; L298-L330 HydrophobicContact CD2-CD2 4.41Å; L298-I339 HydrophobicContact CD2-CB 4.36Å; L298-I339 HydrophobicContact CD2-CG1 4.02Å; L298-I339 HydrophobicContact CD2-CG2 4Å
299	Q	93.4	Very high	87.9	Confident	46 Å²	46	56 Å²	56	22%	0.215	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	155.5	177	-69.8	172	-16	0	0	109	A236 Y301 T337 N338	A236-Q299 HydrophobicContact CB-CG 3.76Å; Q299-Y301 PolarHBondContact O-N 3.12Å; Q299-T337 VanDerWaalsContact O-CG2 3.28Å; Q299-T337 WeakPolarHBondContact O-CG2 3.37Å; Q299-N338 HydrophobicContact CB-CB 4.12Å; Q299-N338 PolarHBondContact N-O 3.38Å; Q299-N338 PolarHBondContact O-N 2.93Å; Q299-N338 VanDerWaalsContact O-N 3.08Å; Q299-N338 PolarHBondContact OE1-ND2 2.87Å
300	D	91.5	Very high	86.5	Confident	90 Å²	90	58.2 Å²	58.2	48%	0.481	28%	0.276	S	S	.	.	S	Bend	trans	52.4	43.7	176	-55.6	-58.1	0	0	0	113.1	P335 T337	D300-P335 HydrophobicContact CB-CB 4.24Å; D300-P335 WeakPolarHBondContact O-CB 3.49Å; D300-P335 WeakPolarHBondContact O-CG 3.47Å; D300-T337 WeakPolarHBondContact O-CA 3.27Å; D300-T337 WeakPolarHBondContact O-CB 3.15Å; D300-T337 PolarHBondContact O-OG1 2.9Å
301	Y	92.9	Very high	84.9	Confident	6 Å²	6	65.8 Å²	65.8	2%	0.024	32%	0.315	C	S	.	.			trans	-94.5	158.6	174.6	63.8	-92.1	0	0	0	111.4	L224 F234 P235 L237 L298 Q299 V303 I328	L224-Y301 HydrophobicContact CD1-CE2 4.31Å; L224-Y301 HydrophobicContact CD2-CE2 3.92Å; F234-Y301 HydrophobicContact CB-CE1 4.11Å; F234-Y301 HydrophobicContact CB-CE2 3.89Å; F234-Y301 VanDerWaalsContact CB-CZ 3.48Å; F234-Y301 WeakPolarHBondContact CB-OH 3.36Å; F234-Y301 HydrophobicContact CD2-CD2 4.2Å; F234-Y301 AromaticContact CD2-CE2 3.77Å; F234-Y301 HydrophobicContact CD2-CE2 3.77Å; F234-Y301 AromaticContact CG-CE2 3.96Å; F234-Y301 HydrophobicContact CG-CE2 3.96Å; P235-Y301 WeakPolarHBondContact O-CE1 3.48Å; P235-Y301 PolarHBondContact O-OH 3.47Å; P235-Y301 VanDerWaalsContact O-OH 3.09Å; L237-Y301 HydrophobicContact CB-CE1 4.27Å; L237-Y301 HydrophobicContact CD1-CD1 4.31Å; L237-Y301 HydrophobicContact CD1-CD2 4.39Å; L237-Y301 HydrophobicContact CD1-CE1 3.7Å; L237-Y301 HydrophobicContact CD1-CE2 3.79Å; L237-Y301 VanDerWaalsContact CD1-CZ 3.41Å; L237-Y301 HydrophobicContact CG-CE1 3.74Å; L237-Y301 HydrophobicContact CG-CE2 4.48Å; L237-Y301 WeakPolarHBondContact CG-OH 3.48Å; L298-Y301 HydrophobicContact CB-CD1 4.29Å; Q299-Y301 PolarHBondContact O-N 3.12Å; Y301-V303 HydrophobicContact CD2-CG2 3.93Å; Y301-V303 HydrophobicContact CE2-CG2 3.66Å; Y301-I328 HydrophobicContact CD2-CG2 3.86Å; Y301-I328 HydrophobicContact CG-CG2 4.17Å
302	S	91.8	Very high	83.7	Confident	18 Å²	18	59.8 Å²	59.8	13%	0.126	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	153	172.5	62.2	0	0	0	0	111.5	C329 N331	S302-C329 PolarHBondContact N-O 2.61Å; S302-C329 PolarHBondContact O-N 2.85Å; S302-C329 VanDerWaalsContact OG-CB 3.25Å; S302-C329 WeakPolarHBondContact OG-CB 3.47Å; S302-C329 PolarHBondContact OG-O 2.93Å; S302-N331 PolarHBondContact OG-ND2 3Å
303	V	92.1	Very high	82.4	Confident	19 Å²	19	57.9 Å²	57.9	12%	0.115	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	138.8	175.7	-175.9	0	0	0	0	109.4	L224 W228 F234 Y301 M326	L224-V303 HydrophobicContact CD1-CG2 4.22Å; L224-V303 HydrophobicContact CD2-CG2 4.07Å; L224-V303 HydrophobicContact CG-CG2 4.38Å; W228-V303 HydrophobicContact CB-CB 4.17Å; W228-V303 HydrophobicContact CB-CG1 3.79Å; W228-V303 HydrophobicContact CD2-CG1 3.72Å; W228-V303 HydrophobicContact CE3-CB 4.26Å; W228-V303 HydrophobicContact CE3-CG1 3.77Å; W228-V303 HydrophobicContact CG-CG1 3.75Å; F234-V303 HydrophobicContact CD2-CG2 4.03Å; F234-V303 HydrophobicContact CE2-CB 4.11Å; F234-V303 HydrophobicContact CE2-CG2 3.7Å; F234-V303 HydrophobicContact CZ-CB 4.23Å; F234-V303 HydrophobicContact CZ-CG2 4.04Å; Y301-V303 HydrophobicContact CD2-CG2 3.93Å; Y301-V303 HydrophobicContact CE2-CG2 3.66Å; V303-M326 HydrophobicContact CG1-CB 3.86Å; V303-M326 HydrophobicContact CG1-CE 4.4Å; V303-M326 HydrophobicContact CG1-CG 4.26Å; V303-M326 HydrophobicContact CG1-SD 3.61Å
304	K	90.6	Very high	81.1	Confident	104 Å²	104	61 Å²	61	45%	0.452	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	162.6	178.4	-61	-179.7	-171.9	167.9	0	109.9	M326 E327	K304-M326 CarbonylContact O-C 3.47Å; K304-M326 VanDerWaalsContact O-CA 3.24Å; K304-M326 WeakPolarHBondContact O-CA 3.37Å; K304-E327 PolarHBondContact N-O 3.07Å; K304-E327 PolarHBondContact O-N 3.45Å
305	K	89.3	Confident	79.7	Confident	167 Å²	167	60.8 Å²	60.8	73%	0.726	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	136.7	169.3	-170.1	178.2	-179.6	179.4	0	109.2	W228	W228-K305 HydrophobicContact CH2-CB 3.96Å; W228-K305 HydrophobicContact CZ2-CB 4.43Å
306	S	83.4	Confident	78	Confident	20 Å²	20	61.5 Å²	61.5	14%	0.14	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-59.7	142.7	179.6	-178.3	0	0	0	0	113.3	S324 T325 E327	S306-S324 WeakPolarHBondContact CB-O 3.43Å; S306-S324 PolarHBondContact OG-O 3.42Å; S306-T325 PolarHBondContact N-O 2.92Å; S306-T325 VanDerWaalsContact N-O 3.14Å; S306-E327 WeakPolarHBondContact CA-OE2 3.43Å
307	Y	75.1	Confident	76.6	Confident	152 Å²	152	63.8 Å²	63.8	60%	0.596	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-74.4	124.3	178.5	-168	-95.6	0	0	0	112.3	F309 R310 E327	Y307-F309 HydrophobicContact CD1-CB 4.4Å; Y307-F309 HydrophobicContact CE1-CB 4.14Å; Y307-F309 HydrophobicContact CE1-CD2 4.05Å; Y307-F309 PolarHBondContact O-N 2.97Å; Y307-R310 PolarHBondContact O-N 3.08Å; Y307-E327 PolarHBondContact N-OE2 3.33Å
308	P	52.8	Low	75.2	Confident	99 Å²	99	69.4 Å²	69.4	64%	0.643	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	10.9	-161.3	28.3	-36.9	0	0	0	117.1
309	F	54.9	Low	74	Confident	168 Å²	168	78 Å²	78	74%	0.737	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.5	20.8	-179.6	-60.7	-74.5	0	0	0	113.4	Y307	Y307-F309 HydrophobicContact CD1-CB 4.4Å; Y307-F309 HydrophobicContact CE1-CB 4.14Å; Y307-F309 HydrophobicContact CE1-CD2 4.05Å; Y307-F309 PolarHBondContact O-N 2.97Å
310	R	64.3	Low	73.2	Confident	52 Å²	52	77.3 Å²	77.3	20%	0.196	39%	0.391	C	S	.	.			trans	-79.6	120.3	173.5	-178.8	178.3	-178.7	143.9	-2.6	110.5	E266 S275 Y307 Q312 E327	E266-R310 IonicContact OE1-CZ 2.71Å; E266-R310 IonicContact OE1-NE 3.51Å; E266-R310 IonicContact OE1-NH2 3.58Å; E266-R310 PolarHBondContact OE1-NH2 3.03Å; E266-R310 IonicContact OE2-NH2 3.55Å; S275-R310 VanDerWaalsContact OG-CZ 3.24Å; S275-R310 PolarHBondContact OG-NE 2.64Å; S275-R310 PolarHBondContact OG-NH2 2.9Å; Y307-R310 PolarHBondContact O-N 3.08Å; R310-Q312 HydrophobicContact CG-CG 4.18Å; R310-Q312 PolarHBondContact O-N 3.12Å; R310-E327 WeakPolarHBondContact CD-OE1 3.27Å; R310-E327 IonicContact CZ-OE1 2.67Å; R310-E327 IonicContact NE-OE1 2.84Å; R310-E327 IonicContact NH1-OE1 3.79Å; R310-E327 PolarHBondContact NH1-OE1 3.21Å
311	I	60.5	Low	73	Confident	159 Å²	159	78 Å²	78	82%	0.815	39%	0.39	S	S	*	.			trans	-74.4	111.9	160.1	-58.2	173.3	0	0	0	106.3
312	Q	64.9	Low	72.7	Confident	37 Å²	37	80.7 Å²	80.7	17%	0.173	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-82.3	144.8	168.9	-67.9	179	-56.2	0	0	108.7	S275 R310	S275-Q312 PolarHBondContact OG-NE2 2.83Å; R310-Q312 HydrophobicContact CG-CG 4.18Å; R310-Q312 PolarHBondContact O-N 3.12Å
313	P	64.1	Low	72.5	Confident	23 Å²	23	79.9 Å²	79.9	15%	0.149	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-66.7	157.5	177.5	29.4	-35	0	0	0	111.1	E266 P315 E463	E266-P313 HydrophobicContact CG-CG 3.52Å; E266-P313 WeakPolarHBondContact OE1-CD 3.48Å; P313-P315 WeakPolarHBondContact O-CD 3.38Å; P313-E463 HydrophobicContact CB-CG 4.34Å; P313-E463 HydrophobicContact CG-CG 4.38Å
314	V	63.3	Low	72.2	Confident	77 Å²	77	82.1 Å²	82.1	47%	0.467	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-61.3	121.2	-178.6	-176.1	0	0	0	0	109.4	V316 I374	V314-V316 PolarHBondContact O-N 3.27Å; V314-I374 HydrophobicContact CG2-CG1 4.32Å
315	P	62.6	Low	72	Confident	39 Å²	39	80.2 Å²	80.2	25%	0.253	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-48.7	130.4	-175.3	-30.6	35.5	0	0	0	112.8	P313 D317 L322 R359	P313-P315 WeakPolarHBondContact O-CD 3.38Å; P315-D317 PolarHBondContact O-N 3.44Å; P315-L322 HydrophobicContact CG-CD2 4.27Å; P315-R359 PolarHBondContact O-NH2 3.38Å
316	V	61	Low	72.1	Confident	15 Å²	15	72.3 Å²	72.3	9%	0.091	38%	0.378	C	S	.	.	S	Bend	trans	-54.8	-40.6	-178.4	177.8	0	0	0	0	111.3	L242 H243 V314 N357 R359	L242-V316 HydrophobicContact CB-CG2 4.09Å; L242-V316 HydrophobicContact CD1-CB 4.35Å; L242-V316 HydrophobicContact CD1-CG2 4.01Å; L242-V316 HydrophobicContact CG-CG2 4.45Å; H243-V316 WeakPolarHBondContact NE2-CG2 3.48Å; V314-V316 PolarHBondContact O-N 3.27Å; V316-N357 HydrophobicContact CG1-CB 3.77Å; V316-R359 PolarHBondContact O-NH2 3.36Å
317	D	68.3	Low	72.6	Confident	48 Å²	48	71.9 Å²	71.9	26%	0.257	37%	0.374	S	S	.	.	S	Bend	trans	-126.7	121.1	173.1	-176.4	-16.2	0	0	0	109	P315 Q319 I320	P315-D317 PolarHBondContact O-N 3.44Å; D317-Q319 PolarHBondContact O-N 3.11Å; D317-Q319 WeakPolarHBondContact OD1-CB 3.28Å; D317-Q319 WeakPolarHBondContact OD1-CG 3.37Å; D317-Q319 PolarHBondContact OD1-N 3.01Å; D317-I320 HydrophobicContact CB-CD1 3.86Å; D317-I320 HydrophobicContact CB-CG1 3.99Å; D317-I320 PolarHBondContact O-N 3.07Å
318	P	66.9	Low	73.4	Confident	118 Å²	118	64.7 Å²	64.7	77%	0.766	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.5	176.6	-23.7	34.8	0	0	0	115.2	I320	P318-I320 VanDerWaalsContact C-N 3.34Å
319	Q	70.1	Confident	75.3	Confident	180 Å²	180	60.1 Å²	60.1	84%	0.841	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-17.3	178.3	-56.9	-174.6	20.4	0	0	112.7	D317	D317-Q319 PolarHBondContact O-N 3.11Å; D317-Q319 WeakPolarHBondContact OD1-CB 3.28Å; D317-Q319 WeakPolarHBondContact OD1-CG 3.37Å; D317-Q319 PolarHBondContact OD1-N 3.01Å
320	I	77.5	Confident	77.1	Confident	32 Å²	32	52.1 Å²	52.1	16%	0.164	28%	0.281	C	S	.	.	S	Bend	trans	-86.9	124.5	-179.2	-58.4	177.1	0	0	0	109.5	G272 T273 D317 P318 L322 P354	G272-I320 VanDerWaalsContact C-CG2 3.49Å; T273-I320 WeakPolarHBondContact OG1-CG2 3.5Å; D317-I320 HydrophobicContact CB-CD1 3.86Å; D317-I320 HydrophobicContact CB-CG1 3.99Å; D317-I320 PolarHBondContact O-N 3.07Å; P318-I320 VanDerWaalsContact C-N 3.34Å; I320-L322 PolarHBondContact O-N 2.86Å; I320-P354 HydrophobicContact CD1-CB 3.62Å; I320-P354 HydrophobicContact CD1-CG 4.16Å
321	K	86	Confident	78.1	Confident	106 Å²	106	51 Å²	51	46%	0.461	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-60.1	119.3	179.9	-173.2	-170.5	178.6	-172.1	0	111.2	E225 G272 T273 I323	E225-K321 IonicContact OE1-NZ 2.59Å; E225-K321 IonicContact OE2-NZ 3.76Å; E225-K321 PolarHBondContact OE2-NZ 2.84Å; G272-K321 CarbonylContact C-O 3.56Å; G272-K321 WeakPolarHBondContact CA-O 2.91Å; T273-K321 PolarHBondContact N-O 3Å; K321-I323 HydrophobicContact CD-CG1 4.39Å; K321-I323 PolarHBondContact O-N 2.59Å
322	L	87.3	Confident	78.8	Confident	62 Å²	62	47.2 Å²	47.2	33%	0.325	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	120	168.5	-176.2	60.9	0	0	0	110.2	T273 P315 I320	T273-L322 HydrophobicContact CG2-CD1 4.48Å; P315-L322 HydrophobicContact CG-CD2 4.27Å; I320-L322 PolarHBondContact O-N 2.86Å
323	I	88.1	Confident	79.1	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	94.7	177.7	-62	168.9	0	0	0	107.8	L221 E225 T273 V274 K321 M326	L221-I323 HydrophobicContact CB-CD1 3.76Å; E225-I323 HydrophobicContact CB-CG2 4.42Å; E225-I323 HydrophobicContact CG-CG2 4.12Å; T273-I323 WeakPolarHBondContact O-CB 3.46Å; T273-I323 PolarHBondContact O-N 3.01Å; V274-I323 HydrophobicContact CB-CB 4.32Å; V274-I323 HydrophobicContact CG2-CB 4.17Å; V274-I323 HydrophobicContact CG2-CG2 4.01Å; K321-I323 HydrophobicContact CD-CG1 4.39Å; K321-I323 PolarHBondContact O-N 2.59Å; I323-M326 HydrophobicContact CG2-CE 4.36Å; I323-M326 HydrophobicContact CG2-CG 3.96Å
324	S	85.1	Confident	79.4	Confident	67 Å²	67	60.8 Å²	60.8	47%	0.469	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	0.7	179.4	59.8	0	0	0	0	113.6	S306	S306-S324 WeakPolarHBondContact CB-O 3.43Å; S306-S324 PolarHBondContact OG-O 3.42Å
325	T	87.3	Confident	79.9	Confident	64 Å²	64	58.9 Å²	58.9	39%	0.393	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-29.5	-176	53.7	0	0	0	0	113.3	E225 S306	E225-T325 WeakPolarHBondContact CG-OG1 3.43Å; E225-T325 WeakPolarHBondContact OE1-CG2 3.39Å; E225-T325 PolarHBondContact OE1-OG1 3.23Å; S306-T325 PolarHBondContact N-O 2.92Å; S306-T325 VanDerWaalsContact N-O 3.14Å
326	M	91.7	Very high	81	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	165.4	179.8	78.8	166.4	76.7	0	0	112.2	L224 E225 W228 V274 V303 K304 I323 I328	L224-M326 HydrophobicContact CB-CE 4.21Å; L224-M326 HydrophobicContact CD2-CE 4.19Å; L224-M326 HydrophobicContact CD2-SD 3.87Å; L224-M326 HydrophobicContact CG-CE 3.88Å; L224-M326 HydrophobicContact CG-SD 4.17Å; E225-M326 HydrophobicContact CB-CE 3.82Å; E225-M326 HydrophobicContact CG-CE 4.3Å; E225-M326 VanDerWaalsContact N-CE 3.34Å; W228-M326 HydrophobicContact CG-CE 4.3Å; V274-M326 HydrophobicContact CG2-CG 3.64Å; V274-M326 HydrophobicContact CG2-SD 4.06Å; V303-M326 HydrophobicContact CG1-CB 3.86Å; V303-M326 HydrophobicContact CG1-CE 4.4Å; V303-M326 HydrophobicContact CG1-CG 4.26Å; V303-M326 HydrophobicContact CG1-SD 3.61Å; K304-M326 CarbonylContact O-C 3.47Å; K304-M326 VanDerWaalsContact O-CA 3.24Å; K304-M326 WeakPolarHBondContact O-CA 3.37Å; I323-M326 HydrophobicContact CG2-CE 4.36Å; I323-M326 HydrophobicContact CG2-CG 3.96Å; M326-I328 HydrophobicContact SD-CG1 4.34Å
327	E	92.1	Very high	82.3	Confident	12 Å²	12	60.8 Å²	60.8	6%	0.056	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.3	159.5	-72.9	173.4	118	0	0	109.3	I277 K304 S306 Y307 R310	I277-E327 HydrophobicContact CD1-CB 4.03Å; I277-E327 HydrophobicContact CD1-CG 4.42Å; I277-E327 HydrophobicContact CG1-CB 4.3Å; K304-E327 PolarHBondContact N-O 3.07Å; K304-E327 PolarHBondContact O-N 3.45Å; S306-E327 WeakPolarHBondContact CA-OE2 3.43Å; Y307-E327 PolarHBondContact N-OE2 3.33Å; R310-E327 WeakPolarHBondContact CD-OE1 3.27Å; R310-E327 IonicContact CZ-OE1 2.67Å; R310-E327 IonicContact NE-OE1 2.84Å; R310-E327 IonicContact NH1-OE1 3.79Å; R310-E327 PolarHBondContact NH1-OE1 3.21Å
328	I	93.8	Very high	83.4	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	133.2	172.9	-63.9	169.6	0	0	0	108.4	L221 L224 L237 V274 S275 V276 I277 Y301 M326 L330	L221-I328 HydrophobicContact CD2-CD1 4.13Å; L224-I328 HydrophobicContact CD2-CD1 4.38Å; L237-I328 HydrophobicContact CD1-CD1 3.38Å; L237-I328 HydrophobicContact CD1-CG1 4.48Å; V274-I328 HydrophobicContact CG1-CD1 3.58Å; V274-I328 HydrophobicContact CG1-CG1 4.36Å; S275-I328 PolarHBondContact O-N 3.1Å; V276-I328 CarbonylContact C-O 3.56Å; V276-I328 WeakPolarHBondContact CA-O 3.41Å; V276-I328 HydrophobicContact CG1-CB 4.5Å; V276-I328 HydrophobicContact CG1-CG2 4.3Å; V276-I328 HydrophobicContact CG2-CB 4.09Å; V276-I328 HydrophobicContact CG2-CD1 4.22Å; V276-I328 HydrophobicContact CG2-CG2 4.4Å; I277-I328 PolarHBondContact N-O 3.43Å; Y301-I328 HydrophobicContact CD2-CG2 3.86Å; Y301-I328 HydrophobicContact CG-CG2 4.17Å; M326-I328 HydrophobicContact SD-CG1 4.34Å; I328-L330 HydrophobicContact CG2-CD2 3.76Å
329	C	92.6	Very high	84.8	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.02	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118.3	177.3	-74.5	0	0	0	0	110.6	S302	S302-C329 PolarHBondContact N-O 2.61Å; S302-C329 PolarHBondContact O-N 2.85Å; S302-C329 VanDerWaalsContact OG-CB 3.25Å; S302-C329 WeakPolarHBondContact OG-CB 3.47Å; S302-C329 PolarHBondContact OG-O 2.93Å
330	L	92.8	Very high	86	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.2	173.4	-41.6	-175.5	0	0	0	108.9	V276 I277 L282 L298 I328 T337 I339	V276-L330 HydrophobicContact CG1-CD1 3.68Å; V276-L330 HydrophobicContact CG1-CD2 3.83Å; V276-L330 HydrophobicContact CG1-CG 3.57Å; I277-L330 PolarHBondContact O-N 3.32Å; L282-L330 HydrophobicContact CD2-CB 3.6Å; L298-L330 HydrophobicContact CD1-CD2 4.2Å; L298-L330 HydrophobicContact CD2-CD1 4.24Å; L298-L330 HydrophobicContact CD2-CD2 4.41Å; I328-L330 HydrophobicContact CG2-CD2 3.76Å; L330-T337 HydrophobicContact CB-CG2 3.99Å; L330-T337 HydrophobicContact CD2-CG2 3.82Å; L330-T337 HydrophobicContact CG-CG2 4.36Å; L330-I339 HydrophobicContact CD1-CD1 3.79Å; L330-I339 HydrophobicContact CD1-CG1 4.41Å
331	N	83.4	Confident	86.9	Confident	28 Å²	28	47.2 Å²	47.2	15%	0.15	25%	0.245	C	C	.	.			trans	-130.1	159	-175.4	-49.2	-44.8	0	0	0	111	S302 D334 P335 T337	S302-N331 PolarHBondContact OG-ND2 3Å; N331-D334 PolarHBondContact ND2-O 3.32Å; N331-P335 WeakPolarHBondContact CB-O 3.25Å; N331-T337 PolarHBondContact N-OG1 2.99Å; N331-T337 VanDerWaalsContact N-OG1 3.09Å; N331-T337 WeakPolarHBondContact O-CB 3.32Å; N331-T337 PolarHBondContact O-N 3.25Å; N331-T337 PolarHBondContact O-OG1 3.48Å
332	L	76.6	Confident	87.4	Confident	79 Å²	79	42.3 Å²	42.3	41%	0.414	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-91.8	-2.3	179.7	-100.2	173.3	0	0	0	115.3	A281 L282	A281-L332 HydrophobicContact CB-CD1 3.61Å; L282-L332 HydrophobicContact CB-CD1 4.14Å; L282-L332 HydrophobicContact CB-CG 4Å; L282-L332 HydrophobicContact CD1-CD2 3.98Å; L282-L332 HydrophobicContact CD1-CG 3.82Å; L282-L332 HydrophobicContact CG-CG 4.44Å; L282-L332 VanDerWaalsContact N-CD1 3.34Å
333	R	71.4	Confident	87.7	Confident	209 Å²	209	40.1 Å²	40.1	79%	0.789	21%	0.213	S	C	*	.	S	Bend	trans	-146.1	-44.1	-166.9	-67.9	-170.8	179.9	-172.8	-0.8	115.4	P336	R333-P336 WeakPolarHBondContact O-CD 3.25Å
334	D	69.6	Low	87.7	Confident	136 Å²	136	45.3 Å²	45.3	73%	0.727	24%	0.238	S	C	*	.	S	Bend	trans	-142.6	103.2	-175.2	-176.2	21.8	0	0	0	111.3	N331	N331-D334 PolarHBondContact ND2-O 3.32Å
335	P	74.1	Confident	88	Confident	37 Å²	37	49.7 Å²	49.7	24%	0.24	25%	0.248	C	C	.	.	S	Bend	cis	-57	157.2	-30.6	27.6	-35.8	0	0	0	111.9	D300 N331 T337	D300-P335 HydrophobicContact CB-CB 4.24Å; D300-P335 WeakPolarHBondContact O-CB 3.49Å; D300-P335 WeakPolarHBondContact O-CG 3.47Å; N331-P335 WeakPolarHBondContact CB-O 3.25Å; P335-T337 PolarHBondContact O-N 3.3Å
336	P	86.1	Confident	88.3	Confident	82 Å²	82	48.6 Å²	48.6	53%	0.532	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-78.7	98.7	169.6	32	-30.4	0	0	0	109.2	R333 N338	R333-P336 WeakPolarHBondContact O-CD 3.25Å; P336-N338 PolarHBondContact O-N 3.15Å
337	T	88.6	Confident	88.3	Confident	13 Å²	13	49.9 Å²	49.9	8%	0.08	25%	0.246	C	C	.	.			trans	-68.5	118.9	-173.2	-57.3	0	0	0	0	112	Q299 D300 L330 N331 P335 I339	Q299-T337 VanDerWaalsContact O-CG2 3.28Å; Q299-T337 WeakPolarHBondContact O-CG2 3.37Å; D300-T337 WeakPolarHBondContact O-CA 3.27Å; D300-T337 WeakPolarHBondContact O-CB 3.15Å; D300-T337 PolarHBondContact O-OG1 2.9Å; L330-T337 HydrophobicContact CB-CG2 3.99Å; L330-T337 HydrophobicContact CD2-CG2 3.82Å; L330-T337 HydrophobicContact CG-CG2 4.36Å; N331-T337 PolarHBondContact N-OG1 2.99Å; N331-T337 VanDerWaalsContact N-OG1 3.09Å; N331-T337 WeakPolarHBondContact O-CB 3.32Å; N331-T337 PolarHBondContact O-N 3.25Å; N331-T337 PolarHBondContact O-OG1 3.48Å; P335-T337 PolarHBondContact O-N 3.3Å; T337-I339 HydrophobicContact CG2-CG1 4.03Å
338	N	91.3	Very high	88.3	Confident	67 Å²	67	53.9 Å²	53.9	36%	0.358	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	127.6	170.2	-177.4	32.5	0	0	0	110	Q299 P336	Q299-N338 HydrophobicContact CB-CB 4.12Å; Q299-N338 PolarHBondContact N-O 3.38Å; Q299-N338 PolarHBondContact O-N 2.93Å; Q299-N338 VanDerWaalsContact O-N 3.08Å; Q299-N338 PolarHBondContact OE1-ND2 2.87Å; P336-N338 PolarHBondContact O-N 3.15Å
339	I	94.7	Very high	88.1	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	119.5	-176.8	-56.8	174.9	0	0	0	107	L282 W286 L296 L298 L330 T337	L282-I339 HydrophobicContact CD1-CD1 4.31Å; L282-I339 HydrophobicContact CD2-CD1 4.28Å; L282-I339 HydrophobicContact CG-CD1 4.5Å; W286-I339 HydrophobicContact CD2-CB 4.42Å; W286-I339 HydrophobicContact CD2-CD1 4.24Å; W286-I339 HydrophobicContact CD2-CG2 4.41Å; W286-I339 HydrophobicContact CE3-CB 4.38Å; W286-I339 HydrophobicContact CE3-CG2 3.98Å; W286-I339 HydrophobicContact CG-CD1 4.31Å; W286-I339 HydrophobicContact CH2-CB 4.02Å; W286-I339 HydrophobicContact CH2-CG2 4.23Å; W286-I339 WeakPolarHBondContact CH2-O 3.42Å; W286-I339 HydrophobicContact CZ2-CB 4.03Å; W286-I339 HydrophobicContact CZ3-CB 4.19Å; W286-I339 HydrophobicContact CZ3-CG2 3.9Å; L296-I339 HydrophobicContact CD1-CG2 4.47Å; L298-I339 HydrophobicContact CD2-CB 4.36Å; L298-I339 HydrophobicContact CD2-CG1 4.02Å; L298-I339 HydrophobicContact CD2-CG2 4Å; L330-I339 HydrophobicContact CD1-CD1 3.79Å; L330-I339 HydrophobicContact CD1-CG1 4.41Å; T337-I339 HydrophobicContact CG2-CG1 4.03Å
340	I	95.4	Very high	88.1	Confident	17 Å²	17	65.1 Å²	65.1	9%	0.087	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.7	177.6	-53.2	178	0	0	0	108.5	E209 L296 L297 I342	E209-I340 HydrophobicContact CB-CG2 4.15Å; L296-I340 WeakPolarHBondContact CA-O 3.39Å; L297-I340 HydrophobicContact CB-CB 4.32Å; L297-I340 HydrophobicContact CD2-CD1 4.41Å; L297-I340 PolarHBondContact N-O 3.2Å; L297-I340 PolarHBondContact O-N 3.09Å; I340-I342 HydrophobicContact CG2-CD1 4.05Å
341	I	96.7	Very high	88	Confident	4 Å²	4	67.2 Å²	67.2	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	113.3	173.9	-59.7	174.4	0	0	0	107.6	K206 P208 E209 W286 L290 L294 L296 P343	K206-I341 HydrophobicContact CB-CD1 4.37Å; P208-I341 CarbonylContact C-O 3.59Å; P208-I341 VanDerWaalsContact CA-O 3.26Å; P208-I341 WeakPolarHBondContact CA-O 3.38Å; P208-I341 HydrophobicContact CB-CG2 4.07Å; P208-I341 HydrophobicContact CG-CG2 4.01Å; E209-I341 PolarHBondContact N-O 3.18Å; W286-I341 HydrophobicContact CZ3-CD1 4.15Å; W286-I341 HydrophobicContact CZ3-CG1 4.17Å; L290-I341 HydrophobicContact CD2-CD1 4.21Å; L290-I341 HydrophobicContact CD2-CG1 4.25Å; L294-I341 HydrophobicContact CD1-CD1 4.34Å; L294-I341 HydrophobicContact CD1-CG2 4.01Å; L294-I341 HydrophobicContact CD2-CG2 4.31Å; L296-I341 HydrophobicContact CD2-CB 4.47Å; L296-I341 HydrophobicContact CD2-CG1 3.87Å; I341-P343 WeakPolarHBondContact O-CD 3.24Å
342	I	96.4	Very high	88.3	Confident	3 Å²	3	75.4 Å²	75.4	2%	0.015	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	125.4	-178.5	-57.4	-57.3	0	0	0	109.6	H211 F213 L238 V295 L297 I340 Q346 V347 W351	H211-I342 HydrophobicContact CB-CD1 3.79Å; F213-I342 HydrophobicContact CE2-CD1 4.4Å; F213-I342 HydrophobicContact CZ-CD1 3.82Å; F213-I342 HydrophobicContact CZ-CG1 4.27Å; F213-I342 HydrophobicContact CZ-CG2 4.49Å; L238-I342 HydrophobicContact CD1-CG1 4.11Å; V295-I342 HydrophobicContact CB-CB 4.27Å; V295-I342 HydrophobicContact CG1-CB 4.17Å; V295-I342 HydrophobicContact CG1-CG1 4.36Å; V295-I342 PolarHBondContact O-N 2.73Å; L297-I342 HydrophobicContact CB-CD1 3.95Å; L297-I342 HydrophobicContact CB-CG1 4.13Å; I340-I342 HydrophobicContact CG2-CD1 4.05Å; I342-Q346 HydrophobicContact CG2-CB 4.01Å; I342-V347 HydrophobicContact CG2-CG2 4.09Å; I342-W351 HydrophobicContact CG2-CH2 4.41Å; I342-W351 HydrophobicContact CG2-CZ3 4.4Å
343	P	93.8	Very high	89.1	Confident	16 Å²	16	72.7 Å²	72.7	10%	0.104	35%	0.349	C	S	.	.			trans	-59.7	136.1	175.2	-21.6	30.1	0	0	0	111.3	P208 E209 E210 I341 K345 Q346 V347	P208-P343 HydrophobicContact CB-CB 4.12Å; P208-P343 HydrophobicContact CB-CG 3.76Å; E209-P343 WeakPolarHBondContact O-CD 3.27Å; E210-P343 HydrophobicContact CG-CG 4.32Å; I341-P343 WeakPolarHBondContact O-CD 3.24Å; P343-K345 HydrophobicContact CB-CG 3.84Å; P343-K345 PolarHBondContact O-N 3.46Å; P343-Q346 WeakPolarHBondContact O-CA 3.32Å; P343-Q346 PolarHBondContact O-N 3.05Å; P343-V347 PolarHBondContact O-N 3.37Å
344	E	89.1	Confident	89.9	Confident	110 Å²	110	63.5 Å²	63.5	51%	0.514	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-58.5	-25.5	-178.5	-163.6	72.1	-161.4	0	0	112.4	R240 Q346 V347	R240-E344 IonicContact CZ-OE1 2.78Å; R240-E344 IonicContact CZ-OE2 3.14Å; R240-E344 IonicContact NH1-OE1 2.6Å; R240-E344 PolarHBondContact NH1-OE1 3.5Å; R240-E344 IonicContact NH1-OE2 3.66Å; R240-E344 PolarHBondContact NH1-OE2 3.42Å; R240-E344 IonicContact NH2-OE1 2.67Å; R240-E344 PolarHBondContact NH2-OE1 3.41Å; R240-E344 IonicContact NH2-OE2 3.19Å; E344-Q346 PolarHBondContact O-N 3.32Å; E344-V347 WeakPolarHBondContact O-CB 3.29Å; E344-V347 PolarHBondContact O-N 3.17Å
345	K	90.9	Very high	90.5	Very high	159 Å²	159	65 Å²	65	69%	0.691	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-64	-20.7	171.5	66.5	169.5	-174.2	174	0	114.9	E210 P343	E210-K345 VanDerWaalsContact OE1-CE 3.31Å; E210-K345 WeakPolarHBondContact OE1-CE 3.06Å; E210-K345 IonicContact OE1-NZ 2.84Å; E210-K345 PolarHBondContact OE1-NZ 2.87Å; P343-K345 HydrophobicContact CB-CG 3.84Å; P343-K345 PolarHBondContact O-N 3.46Å
346	Q	93.1	Very high	90.9	Very high	41 Å²	41	65.5 Å²	65.5	19%	0.192	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-97.9	-5.4	173.4	-68.4	-169.1	-22.8	0	0	112.2	E210 H211 I342 P343 E344 K348 W351	E210-Q346 PolarHBondContact OE2-NE2 2.89Å; H211-Q346 VanDerWaalsContact N-OE1 3.17Å; I342-Q346 HydrophobicContact CG2-CB 4.01Å; P343-Q346 WeakPolarHBondContact O-CA 3.32Å; P343-Q346 PolarHBondContact O-N 3.05Å; E344-Q346 PolarHBondContact O-N 3.32Å; Q346-K348 VanDerWaalsContact O-CG 3.32Å; Q346-K348 WeakPolarHBondContact O-CG 3.36Å; Q346-K348 PolarHBondContact O-N 3.32Å; Q346-W351 VanDerWaalsContact O-CH2 3.27Å; Q346-W351 WeakPolarHBondContact O-CH2 3.38Å
347	V	92.1	Very high	90.5	Very high	26 Å²	26	65.5 Å²	65.5	16%	0.158	31%	0.312	C	S	.	.			trans	-76.4	110.7	-178.1	176	0	0	0	0	110.4	V295 I342 P343 E344 W351 L353	V295-V347 HydrophobicContact CB-CG2 3.93Å; V295-V347 HydrophobicContact CG1-CG2 4.38Å; V295-V347 HydrophobicContact CG2-CG1 4.09Å; V295-V347 HydrophobicContact CG2-CG2 3.64Å; I342-V347 HydrophobicContact CG2-CG2 4.09Å; P343-V347 PolarHBondContact O-N 3.37Å; E344-V347 WeakPolarHBondContact O-CB 3.29Å; E344-V347 PolarHBondContact O-N 3.17Å; V347-W351 HydrophobicContact CB-CZ3 4.27Å; V347-W351 HydrophobicContact CG1-CE3 4.18Å; V347-W351 HydrophobicContact CG1-CZ3 4.32Å; V347-W351 HydrophobicContact CG2-CZ3 4.28Å; V347-L353 HydrophobicContact CG1-CD1 4.37Å
348	K	91.6	Very high	90.2	Very high	96 Å²	96	67.2 Å²	67.2	42%	0.417	32%	0.319	S	S	.	.			trans	-92.3	135.6	-170.2	-45.7	-167.6	-175	-176.3	0	112.8	Q346 E350 W351	Q346-K348 VanDerWaalsContact O-CG 3.32Å; Q346-K348 WeakPolarHBondContact O-CG 3.36Å; Q346-K348 PolarHBondContact O-N 3.32Å; K348-E350 VanDerWaalsContact C-N 3.26Å; K348-E350 VanDerWaalsContact CB-CD 3.41Å; K348-E350 HydrophobicContact CB-CG 4.29Å; K348-E350 WeakPolarHBondContact CB-OE1 3.44Å; K348-E350 WeakPolarHBondContact CB-OE2 3.48Å; K348-E350 WeakPolarHBondContact CD-OE1 3.3Å; K348-E350 PolarHBondContact O-N 3.36Å; K348-W351 HydrophobicContact CB-CD2 3.97Å; K348-W351 HydrophobicContact CB-CE3 4.43Å; K348-W351 HydrophobicContact CB-CG 4.32Å; K348-W351 HydrophobicContact CB-CZ2 4.29Å; K348-W351 HydrophobicContact CD-CZ2 4.07Å; K348-W351 HydrophobicContact CG-CD2 4.32Å; K348-W351 HydrophobicContact CG-CH2 4.14Å; K348-W351 HydrophobicContact CG-CZ2 3.72Å; K348-W351 WeakPolarHBondContact O-CB 3.31Å; K348-W351 PolarHBondContact O-N 3.21Å
349	P	89.9	Confident	90.1	Very high	116 Å²	116	67.5 Å²	67.5	75%	0.753	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-58.3	-32.4	-179.5	-26.3	35.5	0	0	0	114.7	W351 R352	P349-W351 PolarHBondContact O-N 2.95Å; P349-R352 PolarHBondContact O-N 3.24Å
350	E	91.7	Very high	90.1	Very high	124 Å²	124	67.7 Å²	67.7	58%	0.579	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-64.8	-18.8	179.9	63.9	-90.2	-155.2	0	0	114.1	K348 R352	K348-E350 VanDerWaalsContact C-N 3.26Å; K348-E350 VanDerWaalsContact CB-CD 3.41Å; K348-E350 HydrophobicContact CB-CG 4.29Å; K348-E350 WeakPolarHBondContact CB-OE1 3.44Å; K348-E350 WeakPolarHBondContact CB-OE2 3.48Å; K348-E350 WeakPolarHBondContact CD-OE1 3.3Å; K348-E350 PolarHBondContact O-N 3.36Å; E350-R352 PolarHBondContact O-N 2.96Å
351	W	91.6	Very high	90.1	Very high	45 Å²	45	67.7 Å²	67.7	17%	0.17	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-68.7	-19	172.5	-58.9	-20.4	0	0	0	112.8	F213 L238 S270 I342 Q346 V347 K348 P349 L353	F213-W351 HydrophobicContact CD1-CZ2 4.43Å; F213-W351 HydrophobicContact CE1-CH2 4.12Å; F213-W351 HydrophobicContact CE1-CZ2 4.06Å; F213-W351 AromaticContact CE2-CH2 3.94Å; F213-W351 HydrophobicContact CE2-CH2 3.94Å; F213-W351 HydrophobicContact CE2-CZ2 4.17Å; F213-W351 AromaticContact CZ-CH2 3.6Å; F213-W351 HydrophobicContact CZ-CH2 3.6Å; F213-W351 AromaticContact CZ-CZ2 3.92Å; F213-W351 HydrophobicContact CZ-CZ2 3.92Å; L238-W351 HydrophobicContact CD1-CZ3 4.29Å; L238-W351 HydrophobicContact CD2-CD2 3.52Å; L238-W351 HydrophobicContact CD2-CE3 3.61Å; L238-W351 HydrophobicContact CD2-CG 4.07Å; L238-W351 HydrophobicContact CD2-CH2 3.9Å; L238-W351 HydrophobicContact CD2-CZ2 3.82Å; L238-W351 HydrophobicContact CD2-CZ3 3.77Å; L238-W351 HydrophobicContact CG-CE3 4.36Å; L238-W351 HydrophobicContact CG-CZ3 4.43Å; S270-W351 PolarHBondContact OG-O 2.8Å; I342-W351 HydrophobicContact CG2-CH2 4.41Å; I342-W351 HydrophobicContact CG2-CZ3 4.4Å; Q346-W351 VanDerWaalsContact O-CH2 3.27Å; Q346-W351 WeakPolarHBondContact O-CH2 3.38Å; V347-W351 HydrophobicContact CB-CZ3 4.27Å; V347-W351 HydrophobicContact CG1-CE3 4.18Å; V347-W351 HydrophobicContact CG1-CZ3 4.32Å; V347-W351 HydrophobicContact CG2-CZ3 4.28Å; K348-W351 HydrophobicContact CB-CD2 3.97Å; K348-W351 HydrophobicContact CB-CE3 4.43Å; K348-W351 HydrophobicContact CB-CG 4.32Å; K348-W351 HydrophobicContact CB-CZ2 4.29Å; K348-W351 HydrophobicContact CD-CZ2 4.07Å; K348-W351 HydrophobicContact CG-CD2 4.32Å; K348-W351 HydrophobicContact CG-CH2 4.14Å; K348-W351 HydrophobicContact CG-CZ2 3.72Å; K348-W351 WeakPolarHBondContact O-CB 3.31Å; K348-W351 PolarHBondContact O-N 3.21Å; P349-W351 PolarHBondContact O-N 2.95Å; W351-L353 HydrophobicContact CB-CG 4.05Å; W351-L353 HydrophobicContact CE3-CD1 4.1Å; W351-L353 PolarHBondContact O-N 3.04Å; W351-L353 VanDerWaalsContact O-N 3.12Å
352	R	90.6	Very high	90.1	Very high	199 Å²	199	68.4 Å²	68.4	75%	0.751	32%	0.321	S	S	*	.			trans	52.8	30.5	178.8	-59.9	176	-175.5	-171.3	0.4	113.6	S270 P349 E350	S270-R352 WeakPolarHBondContact CB-O 3.35Å; P349-R352 PolarHBondContact O-N 3.24Å; E350-R352 PolarHBondContact O-N 2.96Å
353	L	91.8	Very high	90	Very high	23 Å²	23	68.7 Å²	68.7	12%	0.12	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-58.5	139.1	176.8	-64.8	179	0	0	0	110.2	D269 V295 V347 W351	D269-L353 HydrophobicContact CB-CD2 4.33Å; V295-L353 HydrophobicContact CB-CD1 4.31Å; V295-L353 HydrophobicContact CG1-CD1 3.62Å; V295-L353 HydrophobicContact CG2-CD1 3.64Å; V347-L353 HydrophobicContact CG1-CD1 4.37Å; W351-L353 HydrophobicContact CB-CG 4.05Å; W351-L353 HydrophobicContact CE3-CD1 4.1Å; W351-L353 PolarHBondContact O-N 3.04Å; W351-L353 VanDerWaalsContact O-N 3.12Å
354	P	88.3	Confident	90	Very high	16 Å²	16	70.5 Å²	70.5	10%	0.104	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-63.2	154.6	-176	20.9	-30	0	0	0	113.1	R240 L242 A268 D269 I320	R240-P354 WeakPolarHBondContact CD-O 3.39Å; R240-P354 PolarHBondContact NE-O 3.37Å; L242-P354 HydrophobicContact CD2-CB 4.44Å; L242-P354 HydrophobicContact CD2-CG 4.17Å; A268-P354 HydrophobicContact CB-CG 3.57Å; D269-P354 WeakPolarHBondContact O-CD 3.38Å; I320-P354 HydrophobicContact CD1-CB 3.62Å; I320-P354 HydrophobicContact CD1-CG 4.16Å
355	K	83.1	Confident	90.3	Very high	168 Å²	168	68.7 Å²	68.7	73%	0.73	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-88.1	151	174.5	-64.6	-178	179.9	179.1	0	110.2	N357	K355-N357 PolarHBondContact O-N 3.12Å
356	L	82.3	Confident	90.5	Very high	47 Å²	47	61.2 Å²	61.2	25%	0.246	29%	0.294	C	S	.	.			trans	-72.7	113.3	166	-62.8	-177.8	0	0	0	109	L242 V292	L242-L356 HydrophobicContact CD2-CD2 4.21Å; V292-L356 HydrophobicContact CG1-CD1 3.93Å; V292-L356 HydrophobicContact CG1-CD2 3.69Å; V292-L356 HydrophobicContact CG1-CG 4.48Å
357	N	77.3	Confident	90.3	Very high	81 Å²	81	62.7 Å²	62.7	43%	0.433	30%	0.303	S	S	.	.			trans	-100.9	111.7	170.6	-61.1	-26.6	0	0	0	108.5	V316 K355	V316-N357 HydrophobicContact CG1-CB 3.77Å; K355-N357 PolarHBondContact O-N 3.12Å
358	H	83.6	Confident	90.3	Very high	49 Å²	49	68.4 Å²	68.4	23%	0.227	33%	0.333	C	S	.	.			trans	-80.4	150.3	172.5	-72.1	-76.7	0	0	0	111.1	F360 D376 Y476	H358-F360 HydrophobicContact CB-CD2 3.63Å; H358-F360 HydrophobicContact CB-CE2 3.38Å; H358-F360 HydrophobicContact CB-CZ 4.31Å; H358-F360 AromaticContact CG-CE2 3.77Å; H358-D376 VanDerWaalsContact CA-OD2 3.26Å; H358-D376 WeakPolarHBondContact CA-OD2 3.45Å; H358-D376 WeakPolarHBondContact CB-OD2 3.23Å; H358-D376 IonicContact CG-OD2 3.92Å; H358-D376 IonicContact ND1-OD2 3.01Å; H358-D376 PolarHBondContact ND1-OD2 2.89Å; H358-D376 VanDerWaalsContact ND1-OD2 3.14Å; H358-Y476 AromaticContact NE2-CD1 3.69Å
359	R	88.7	Confident	90.3	Very high	73 Å²	73	65.5 Å²	65.5	28%	0.275	32%	0.321	S	S	.	.			trans	-114.3	57.5	-178.4	-66.2	-174	178.5	152	6.6	110.9	P315 V316 T361 D376	P315-R359 PolarHBondContact O-NH2 3.38Å; V316-R359 PolarHBondContact O-NH2 3.36Å; R359-T361 PolarHBondContact O-N 2.92Å; R359-D376 PolarHBondContact N-OD2 2.77Å; R359-D376 PolarHBondContact O-N 3Å
360	F	93.6	Very high	90.4	Very high	9 Å²	9	63.9 Å²	63.9	4%	0.039	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-61.2	129.5	-179.9	-74.8	-72	0	0	0	111.3	H358 D376 I378 V439 Y476 D479 K481 V482	H358-F360 HydrophobicContact CB-CD2 3.63Å; H358-F360 HydrophobicContact CB-CE2 3.38Å; H358-F360 HydrophobicContact CB-CZ 4.31Å; H358-F360 AromaticContact CG-CE2 3.77Å; F360-D376 VanDerWaalsContact CA-O 3.31Å; F360-D376 WeakPolarHBondContact CA-O 3.41Å; F360-D376 HydrophobicContact CD1-CB 4.07Å; F360-D376 HydrophobicContact CE1-CB 4.07Å; F360-D376 HydrophobicContact CG-CB 4.45Å; F360-D376 HydrophobicContact CZ-CB 4.46Å; F360-I378 HydrophobicContact CD1-CB 4.18Å; F360-I378 HydrophobicContact CD1-CG2 3.93Å; F360-I378 HydrophobicContact CE1-CB 3.86Å; F360-I378 HydrophobicContact CE1-CG2 4.08Å; F360-V439 HydrophobicContact CE1-CG1 4.17Å; F360-V439 HydrophobicContact CZ-CG1 4.17Å; F360-Y476 HydrophobicContact CE2-CG 4.1Å; F360-Y476 HydrophobicContact CZ-CD2 4.21Å; F360-Y476 HydrophobicContact CZ-CG 4.06Å; F360-D479 HydrophobicContact CD2-CB 4.31Å; F360-K481 HydrophobicContact CB-CB 4.29Å; F360-K481 HydrophobicContact CB-CD 4.11Å; F360-K481 WeakPolarHBondContact O-CD 3.49Å; F360-K481 WeakPolarHBondContact O-CE 3.48Å; F360-K481 PolarHBondContact O-NZ 3.36Å; F360-V482 HydrophobicContact CD1-CG2 4.28Å; F360-V482 HydrophobicContact CD2-CG2 3.71Å; F360-V482 HydrophobicContact CE1-CG2 4.22Å; F360-V482 HydrophobicContact CE2-CG2 3.65Å; F360-V482 HydrophobicContact CG-CG2 4.05Å; F360-V482 HydrophobicContact CZ-CG2 3.91Å
361	T	95.7	Very high	90.4	Very high	16 Å²	16	63.1 Å²	63.1	10%	0.098	31%	0.307	C	S	.	.			trans	-115.8	137	172.7	-71.5	0	0	0	0	108.1	R359 E365 L366 M369 C375 D376 F416	R359-T361 PolarHBondContact O-N 2.92Å; T361-E365 WeakPolarHBondContact CA-OE2 3.37Å; T361-E365 HydrophobicContact CG2-CB 4.03Å; T361-L366 HydrophobicContact CG2-CB 4.21Å; T361-L366 HydrophobicContact CG2-CD1 4.42Å; T361-M369 HydrophobicContact CG2-CG 4.4Å; T361-M369 HydrophobicContact CG2-SD 3.57Å; T361-M369 VanDerWaalsContact CG2-SD 3.57Å; T361-M369 PolarHBondContact OG1-SD 3.37Å; T361-C375 WeakPolarHBondContact OG1-CB 3.48Å; T361-D376 PolarHBondContact N-O 2.95Å; T361-F416 WeakPolarHBondContact O-CZ 3.39Å
362	T	96.8	Very high	90.3	Very high	19 Å²	19	64.7 Å²	64.7	12%	0.117	32%	0.319	C	S	.	.			trans	-85.6	159.2	169.4	66.7	0	0	0	0	110.8	S364 E365 L366 D409 T411 F416 K481	T362-S364 PolarHBondContact O-N 3.09Å; T362-S364 PolarHBondContact OG1-OG 3Å; T362-E365 PolarHBondContact N-OE2 3.35Å; T362-E365 PolarHBondContact O-N 2.91Å; T362-E365 VanDerWaalsContact O-N 3.08Å; T362-E365 VanDerWaalsContact OG1-CG 3.27Å; T362-E365 WeakPolarHBondContact OG1-CG 3.35Å; T362-E365 PolarHBondContact OG1-N 3.34Å; T362-E365 PolarHBondContact OG1-OE2 2.88Å; T362-L366 PolarHBondContact O-N 3.22Å; T362-L366 VanDerWaalsContact O-N 3.14Å; T362-D409 WeakPolarHBondContact CA-OD2 3.4Å; T362-D409 WeakPolarHBondContact CB-OD2 3.4Å; T362-T411 HydrophobicContact CG2-CG2 3.96Å; T362-F416 VanDerWaalsContact C-CZ 3.48Å; T362-K481 HydrophobicContact CG2-CB 4.23Å; T362-K481 HydrophobicContact CG2-CD 4Å; T362-K481 HydrophobicContact CG2-CG 4.02Å
363	R	94.9	Very high	90.4	Very high	9 Å²	9	57.3 Å²	57.3	3%	0.034	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-35.2	179.5	-179.8	55.8	-167.5	93.4	-0.9	111.3	E365 L366 D367 D409 T411 Q414 P415 F416	R363-E365 VanDerWaalsContact C-N 3.34Å; R363-E365 PolarHBondContact O-N 3.19Å; R363-L366 WeakPolarHBondContact O-CB 3.47Å; R363-L366 PolarHBondContact O-N 2.66Å; R363-D367 IonicContact CZ-OD1 3.06Å; R363-D367 IonicContact CZ-OD2 2.75Å; R363-D367 IonicContact NH1-OD1 3.31Å; R363-D367 PolarHBondContact NH1-OD1 2.95Å; R363-D367 IonicContact NH1-OD2 2.68Å; R363-D367 PolarHBondContact NH1-OD2 2.97Å; R363-D367 IonicContact NH2-OD1 2.64Å; R363-D367 PolarHBondContact NH2-OD1 3.45Å; R363-D367 IonicContact NH2-OD2 2.78Å; R363-D409 PolarHBondContact N-OD2 2.83Å; R363-T411 PolarHBondContact N-OG1 2.97Å; R363-Q414 VanDerWaalsContact CG-O 3.3Å; R363-Q414 WeakPolarHBondContact CG-O 3.5Å; R363-P415 WeakPolarHBondContact CD-O 3.37Å; R363-P415 PolarHBondContact NE-O 3.28Å; R363-F416 HydrophobicContact CB-CD2 4.07Å; R363-F416 HydrophobicContact CB-CE1 4.27Å; R363-F416 HydrophobicContact CB-CE2 3.74Å; R363-F416 HydrophobicContact CB-CG 4.47Å; R363-F416 HydrophobicContact CB-CZ 3.86Å
364	S	93.7	Very high	90.4	Very high	54 Å²	54	57.9 Å²	57.9	38%	0.378	30%	0.3	S	S	.	.	H	α-helix	trans	-61	-35.8	172.7	55.8	0	0	0	0	114.3	T362 T411	T362-S364 PolarHBondContact O-N 3.09Å; T362-S364 PolarHBondContact OG1-OG 3Å; S364-T411 PolarHBondContact N-OG1 2.98Å; S364-T411 VanDerWaalsContact N-OG1 3.08Å; S364-T411 WeakPolarHBondContact OG-CB 3.41Å; S364-T411 PolarHBondContact OG-OG1 3.29Å
365	E	95.8	Very high	90.7	Very high	72 Å²	72	57.2 Å²	57.2	34%	0.336	30%	0.296	S	S	.	.	H	α-helix	trans	-77.1	-24.4	177.6	-69.6	167.1	152.1	0	0	112.9	T361 T362 R363 D367 D368 M369 K481	T361-E365 WeakPolarHBondContact CA-OE2 3.37Å; T361-E365 HydrophobicContact CG2-CB 4.03Å; T362-E365 PolarHBondContact N-OE2 3.35Å; T362-E365 PolarHBondContact O-N 2.91Å; T362-E365 VanDerWaalsContact O-N 3.08Å; T362-E365 VanDerWaalsContact OG1-CG 3.27Å; T362-E365 WeakPolarHBondContact OG1-CG 3.35Å; T362-E365 PolarHBondContact OG1-N 3.34Å; T362-E365 PolarHBondContact OG1-OE2 2.88Å; R363-E365 VanDerWaalsContact C-N 3.34Å; R363-E365 PolarHBondContact O-N 3.19Å; E365-D367 VanDerWaalsContact C-N 3.25Å; E365-D367 PolarHBondContact O-N 2.82Å; E365-D368 PolarHBondContact O-N 3.09Å; E365-M369 PolarHBondContact O-N 3.49Å; E365-K481 WeakPolarHBondContact OE1-CE 3.41Å; E365-K481 IonicContact OE1-NZ 2.74Å; E365-K481 PolarHBondContact OE1-NZ 2.66Å; E365-K481 WeakPolarHBondContact OE2-CE 3.25Å; E365-K481 IonicContact OE2-NZ 3.63Å; E365-K481 PolarHBondContact OE2-NZ 2.98Å
366	L	94.1	Very high	91.2	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-32.7	-176.4	-174.7	71	0	0	0	112.5	T361 T362 R363 D368 M369 F416 V445 R447 L456 L458	T361-L366 HydrophobicContact CG2-CB 4.21Å; T361-L366 HydrophobicContact CG2-CD1 4.42Å; T362-L366 PolarHBondContact O-N 3.22Å; T362-L366 VanDerWaalsContact O-N 3.14Å; R363-L366 WeakPolarHBondContact O-CB 3.47Å; R363-L366 PolarHBondContact O-N 2.66Å; L366-D368 PolarHBondContact O-N 2.52Å; L366-M369 HydrophobicContact CD1-CB 4.43Å; L366-M369 HydrophobicContact CD1-SD 4.23Å; L366-M369 PolarHBondContact O-N 3.31Å; L366-M369 VanDerWaalsContact O-N 3.08Å; L366-F416 HydrophobicContact CB-CE1 4.43Å; L366-F416 HydrophobicContact CD2-CD1 3.82Å; L366-F416 HydrophobicContact CD2-CE1 4.24Å; L366-V445 HydrophobicContact CD1-CG2 3.97Å; L366-R447 PolarHBondContact O-NH2 2.79Å; L366-L456 HydrophobicContact CD2-CD1 4.31Å; L366-L456 HydrophobicContact CD2-CD2 4.16Å; L366-L456 HydrophobicContact CD2-CG 4.14Å; L366-L456 HydrophobicContact CG-CD1 4.14Å; L366-L456 HydrophobicContact CG-CD2 4.08Å; L366-L456 HydrophobicContact CG-CG 4.33Å; L366-L458 HydrophobicContact CD1-CD2 3.75Å; L366-L458 HydrophobicContact CD1-CG 4.47Å; L366-L458 HydrophobicContact CD2-CG 4.48Å
367	D	88.9	Confident	91.8	Very high	72 Å²	72	47 Å²	47	39%	0.385	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.8	-179.4	-69	-45.4	0	0	0	113.2	R363 E365 R447 L456	R363-D367 IonicContact CZ-OD1 3.06Å; R363-D367 IonicContact CZ-OD2 2.75Å; R363-D367 IonicContact NH1-OD1 3.31Å; R363-D367 PolarHBondContact NH1-OD1 2.95Å; R363-D367 IonicContact NH1-OD2 2.68Å; R363-D367 PolarHBondContact NH1-OD2 2.97Å; R363-D367 IonicContact NH2-OD1 2.64Å; R363-D367 PolarHBondContact NH2-OD1 3.45Å; R363-D367 IonicContact NH2-OD2 2.78Å; E365-D367 VanDerWaalsContact C-N 3.25Å; E365-D367 PolarHBondContact O-N 2.82Å; D367-R447 PolarHBondContact O-NH2 3.15Å; D367-L456 VanDerWaalsContact OD1-CD2 3.29Å; D367-L456 WeakPolarHBondContact OD1-CD2 3.41Å
368	D	92.3	Very high	92.7	Very high	147 Å²	147	43.9 Å²	43.9	79%	0.786	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-9.2	174	-65.4	-48.1	0	0	0	114	E365 L366	E365-D368 PolarHBondContact O-N 3.09Å; L366-D368 PolarHBondContact O-N 2.52Å
369	M	92.5	Very high	93.1	Very high	35 Å²	35	41.6 Å²	41.6	17%	0.172	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-70.8	134.1	-176.4	-75.8	-158.2	76.6	0	0	113.3	T361 E365 L366 C373 C375 V445 R447	T361-M369 HydrophobicContact CG2-CG 4.4Å; T361-M369 HydrophobicContact CG2-SD 3.57Å; T361-M369 VanDerWaalsContact CG2-SD 3.57Å; T361-M369 PolarHBondContact OG1-SD 3.37Å; E365-M369 PolarHBondContact O-N 3.49Å; L366-M369 HydrophobicContact CD1-CB 4.43Å; L366-M369 HydrophobicContact CD1-SD 4.23Å; L366-M369 PolarHBondContact O-N 3.31Å; L366-M369 VanDerWaalsContact O-N 3.08Å; M369-C373 HydrophobicContact CE-CB 3.73Å; M369-C375 HydrophobicContact CE-CB 4.21Å; M369-C375 HydrophobicContact SD-CB 4.13Å; M369-V445 HydrophobicContact CB-CG2 4.18Å; M369-V445 HydrophobicContact CE-CG2 4.27Å; M369-V445 HydrophobicContact SD-CG2 4.15Å; M369-R447 PolarHBondContact O-NE 3.36Å; M369-R447 PolarHBondContact O-NH2 2.93Å
370	P	91.7	Very high	93.2	Very high	82 Å²	82	39.1 Å²	39.1	53%	0.532	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-63.7	159.4	177.2	-20.2	30.5	0	0	0	114.8	C373 V445	P370-C373 WeakPolarHBondContact O-CB 3.3Å; P370-C373 PolarHBondContact O-N 2.82Å; P370-V445 WeakPolarHBondContact O-CB 3.22Å; P370-V445 WeakPolarHBondContact O-CG1 3.24Å
371	E	90.9	Very high	93.2	Very high	108 Å²	108	38.7 Å²	38.7	51%	0.505	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	143.5	171	-159.6	-154.2	139.4	0	0	111.4	C373 R447	E371-C373 PolarHBondContact O-N 2.79Å; E371-C373 VanDerWaalsContact O-N 3.07Å; E371-R447 HydrophobicContact CB-CB 4.27Å; E371-R447 HydrophobicContact CG-CB 4.11Å
372	N	89.7	Confident	92.9	Very high	77 Å²	77	39.6 Å²	39.6	41%	0.412	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	3.6	-180	-56	-69.9	0	0	0	116.2	K444 V445	N372-K444 HydrophobicContact CB-CD 4.32Å; N372-K444 HydrophobicContact CB-CG 4.5Å; N372-K444 WeakPolarHBondContact OD1-CD 3.43Å; N372-K444 WeakPolarHBondContact OD1-CE 3.3Å; N372-K444 PolarHBondContact OD1-NZ 2.95Å; N372-V445 WeakPolarHBondContact CA-O 3.41Å; N372-V445 PolarHBondContact N-O 2.87Å
373	C	92	Very high	92.7	Very high	44 Å²	44	38.8 Å²	38.8	30%	0.297	21%	0.213	S	C	.	.			trans	-61.7	151.7	166.8	-78.7	0	0	0	0	111.7	M369 P370 E371 K444 V445	M369-C373 HydrophobicContact CE-CB 3.73Å; P370-C373 WeakPolarHBondContact O-CB 3.3Å; P370-C373 PolarHBondContact O-N 2.82Å; E371-C373 PolarHBondContact O-N 2.79Å; E371-C373 VanDerWaalsContact O-N 3.07Å; C373-K444 WeakPolarHBondContact O-CA 3.27Å; C373-V445 HydrophobicContact CB-CG2 4.35Å; C373-V445 PolarHBondContact O-N 3.43Å
374	I	92.3	Very high	92.6	Very high	36 Å²	36	38.4 Å²	38.4	19%	0.185	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.9	179.4	-55.3	-56.7	0	0	0	110	V314 Q442 L443 K444 T461	V314-I374 HydrophobicContact CG2-CG1 4.32Å; I374-Q442 HydrophobicContact CG2-CB 4.17Å; I374-L443 WeakPolarHBondContact CA-O 3.44Å; I374-K444 HydrophobicContact CD1-CB 3.84Å; I374-K444 HydrophobicContact CD1-CG 3.89Å; I374-T461 HydrophobicContact CD1-CG2 3.91Å
375	C	93.9	Very high	92.6	Very high	1 Å²	1	36 Å²	36	1%	0.007	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	164.6	176.3	59.2	0	0	0	0	112	T361 M369 Q442 L443	T361-C375 WeakPolarHBondContact OG1-CB 3.48Å; M369-C375 HydrophobicContact CE-CB 4.21Å; M369-C375 HydrophobicContact SD-CB 4.13Å; C375-Q442 PolarHBondContact O-N 3.26Å; C375-L443 PolarHBondContact N-O 3.38Å; C375-L443 PolarHBondContact O-N 2.76Å
376	D	94.4	Very high	92.5	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.011	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	150.3	163.6	-56.9	-28.9	0	0	0	108.2	H358 R359 F360 T361 T441 Q442	H358-D376 VanDerWaalsContact CA-OD2 3.26Å; H358-D376 WeakPolarHBondContact CA-OD2 3.45Å; H358-D376 WeakPolarHBondContact CB-OD2 3.23Å; H358-D376 IonicContact CG-OD2 3.92Å; H358-D376 IonicContact ND1-OD2 3.01Å; H358-D376 PolarHBondContact ND1-OD2 2.89Å; H358-D376 VanDerWaalsContact ND1-OD2 3.14Å; R359-D376 PolarHBondContact N-OD2 2.77Å; R359-D376 PolarHBondContact O-N 3Å; F360-D376 VanDerWaalsContact CA-O 3.31Å; F360-D376 WeakPolarHBondContact CA-O 3.41Å; F360-D376 HydrophobicContact CD1-CB 4.07Å; F360-D376 HydrophobicContact CE1-CB 4.07Å; F360-D376 HydrophobicContact CG-CB 4.45Å; F360-D376 HydrophobicContact CZ-CB 4.46Å; T361-D376 PolarHBondContact N-O 2.95Å; D376-T441 HydrophobicContact CB-CG2 4.26Å; D376-T441 WeakPolarHBondContact OD1-CA 3.33Å; D376-T441 WeakPolarHBondContact OD1-CB 3.37Å; D376-Q442 PolarHBondContact OD1-N 2.74Å; D376-Q442 PolarHBondContact OD1-NE2 2.87Å
377	V	95.7	Very high	92.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	151.3	176.9	-58.7	0	0	0	0	111.7	I407 F416 V439 C440 L443 L458	V377-I407 HydrophobicContact CG2-CD1 3.84Å; V377-F416 HydrophobicContact CB-CE1 4.37Å; V377-F416 HydrophobicContact CB-CZ 4.31Å; V377-F416 HydrophobicContact CG1-CD1 3.9Å; V377-F416 HydrophobicContact CG1-CE1 3.56Å; V377-F416 HydrophobicContact CG1-CZ 3.93Å; V377-V439 WeakPolarHBondContact O-CA 3.48Å; V377-C440 HydrophobicContact CG2-CB 4.23Å; V377-C440 PolarHBondContact N-O 2.74Å; V377-C440 PolarHBondContact O-N 3.44Å; V377-L443 HydrophobicContact CG1-CD1 4.3Å; V377-L443 HydrophobicContact CG2-CD1 3.55Å; V377-L458 HydrophobicContact CG1-CD1 3.56Å
378	I	94.6	Very high	92.9	Very high	15 Å²	15	29.8 Å²	29.8	8%	0.077	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	141.2	170.7	-176.5	167.3	0	0	0	108.9	F360 F438 V439 V482 F485	F360-I378 HydrophobicContact CD1-CB 4.18Å; F360-I378 HydrophobicContact CD1-CG2 3.93Å; F360-I378 HydrophobicContact CE1-CB 3.86Å; F360-I378 HydrophobicContact CE1-CG2 4.08Å; I378-F438 WeakPolarHBondContact CA-O 3.45Å; I378-V439 HydrophobicContact CB-CG2 4.08Å; I378-V439 HydrophobicContact CD1-CG2 3.8Å; I378-V439 HydrophobicContact CG1-CG2 3.71Å; I378-V482 HydrophobicContact CD1-CG1 3.99Å; I378-V482 HydrophobicContact CD1-CG2 4.22Å; I378-V482 HydrophobicContact CG2-CG2 4.19Å; I378-F485 HydrophobicContact CD1-CD1 3.64Å; I378-F485 HydrophobicContact CD1-CE1 3.97Å; I378-F485 HydrophobicContact CG1-CD1 3.64Å; I378-F485 HydrophobicContact CG1-CE1 3.77Å; I378-F485 HydrophobicContact CG1-CG 4.37Å; I378-F485 HydrophobicContact CG2-CB 4.44Å; I378-F485 HydrophobicContact CG2-CD1 4.47Å
379	G	93	Very high	93	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	-166.2	167.7	0	0	0	0	0	114.4	A408 F438 F485	G379-A408 WeakPolarHBondContact CA-O 3.12Å; G379-F438 PolarHBondContact N-O 2.75Å; G379-F438 PolarHBondContact O-N 2.92Å; G379-F485 VanDerWaalsContact CA-CZ 3.46Å
380	L	91.7	Very high	92.9	Very high	22 Å²	22	22.9 Å²	22.9	12%	0.115	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.5	173.4	-170	70.5	0	0	0	109.7	V382 I407 A408 M435 Y437 F485 I489 M501	L380-V382 PolarHBondContact O-N 3.35Å; L380-I407 CarbonylContact O-C 3.58Å; L380-I407 WeakPolarHBondContact O-CA 3.3Å; L380-A408 PolarHBondContact N-O 3.14Å; L380-A408 PolarHBondContact O-N 3.12Å; L380-M435 VanDerWaalsContact CD1-O 3.28Å; L380-M435 WeakPolarHBondContact CD1-O 3.1Å; L380-Y437 HydrophobicContact CD1-CD1 3.81Å; L380-Y437 HydrophobicContact CD1-CE1 3.87Å; L380-F485 HydrophobicContact CB-CE2 4.5Å; L380-I489 HydrophobicContact CB-CD1 4.1Å; L380-I489 HydrophobicContact CD1-CD1 4.3Å; L380-I489 HydrophobicContact CD2-CD1 4.18Å; L380-I489 HydrophobicContact CG-CD1 4.45Å; L380-M501 HydrophobicContact CD2-CE 3.8Å
381	L	92.5	Very high	92.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	123.7	171.7	-73.8	170.1	0	0	0	110.8	V384 I405 H406 I407 I432 Y433 P434 M435 A436 F438	L381-V384 HydrophobicContact CB-CG2 4.28Å; L381-V384 HydrophobicContact CD1-CG2 4.13Å; L381-V384 HydrophobicContact CD2-CG2 4.36Å; L381-I405 HydrophobicContact CD2-CB 3.98Å; L381-I405 HydrophobicContact CD2-CD1 3.96Å; L381-I405 HydrophobicContact CD2-CG1 4.38Å; L381-I405 HydrophobicContact CD2-CG2 4.48Å; L381-H406 WeakPolarHBondContact CA-O 3.26Å; L381-I407 HydrophobicContact CD2-CG1 3.92Å; L381-I432 HydrophobicContact CD1-CG2 3.55Å; L381-Y433 WeakPolarHBondContact CD1-O 3.33Å; L381-P434 CarbonylContact O-C 3.57Å; L381-P434 WeakPolarHBondContact O-CA 3.12Å; L381-M435 PolarHBondContact O-N 3.27Å; L381-A436 HydrophobicContact CD1-CB 4.32Å; L381-A436 PolarHBondContact N-O 3.21Å; L381-F438 HydrophobicContact CD1-CB 4.01Å; L381-F438 HydrophobicContact CD1-CD2 3.71Å; L381-F438 HydrophobicContact CD1-CE2 4.39Å; L381-F438 HydrophobicContact CD1-CG 4.05Å; L381-F438 HydrophobicContact CD2-CB 4.26Å; L381-F438 HydrophobicContact CD2-CD1 4.4Å; L381-F438 HydrophobicContact CD2-CD2 4.39Å; L381-F438 HydrophobicContact CD2-CG 4.14Å; L381-F438 HydrophobicContact CG-CB 3.77Å; L381-F438 HydrophobicContact CG-CD2 4.24Å; L381-F438 HydrophobicContact CG-CG 4.06Å
382	V	90	Very high	92.5	Very high	35 Å²	35	20.4 Å²	20.4	21%	0.212	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-27.9	177.9	-60.4	0	0	0	0	113.1	L380 H406 A408 P415 M501 V502	L380-V382 PolarHBondContact O-N 3.35Å; V382-H406 HydrophobicContact CG2-CB 3.6Å; V382-H406 PolarHBondContact N-O 2.79Å; V382-A408 HydrophobicContact CG1-CB 3.82Å; V382-A408 HydrophobicContact CG2-CB 4.5Å; V382-P415 HydrophobicContact CG2-CB 4.38Å; V382-M501 HydrophobicContact CB-SD 4.27Å; V382-M501 HydrophobicContact CG1-CE 4.33Å; V382-M501 HydrophobicContact CG1-SD 4.15Å; V382-V502 PolarHBondContact O-N 2.82Å
383	F	91.7	Very high	92	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.009	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.3	169.4	170.7	-109.1	0	0	0	110.4	W404 I405 H406 V502 G504 Y507 Y795	F383-W404 HydrophobicContact CE1-CB 4.38Å; F383-I405 WeakPolarHBondContact O-CA 3.26Å; F383-H406 HydrophobicContact CB-CB 3.75Å; F383-H406 WeakPolarHBondContact CB-ND1 3.47Å; F383-H406 AromaticContact CD1-CE1 3.95Å; F383-H406 AromaticContact CD1-CG 4Å; F383-H406 AromaticContact CD1-ND1 3.94Å; F383-H406 AromaticContact CG-ND1 4Å; F383-H406 PolarHBondContact O-N 2.97Å; F383-V502 VanDerWaalsContact CA-O 3.32Å; F383-V502 WeakPolarHBondContact CA-O 3.06Å; F383-V502 HydrophobicContact CD2-CB 3.97Å; F383-V502 HydrophobicContact CD2-CG1 3.77Å; F383-V502 HydrophobicContact CE2-CG1 4.12Å; F383-G504 WeakPolarHBondContact CE2-O 3.41Å; F383-Y507 HydrophobicContact CD1-CD2 4.4Å; F383-Y507 HydrophobicContact CD1-CE2 4.29Å; F383-Y507 HydrophobicContact CE1-CD1 4.44Å; F383-Y507 AromaticContact CE1-CD2 3.47Å; F383-Y507 HydrophobicContact CE1-CD2 3.47Å; F383-Y507 VanDerWaalsContact CE1-CD2 3.47Å; F383-Y507 AromaticContact CE1-CE2 3.76Å; F383-Y507 HydrophobicContact CE1-CE2 3.76Å; F383-Y507 AromaticContact CE1-CG 3.88Å; F383-Y507 HydrophobicContact CE1-CG 3.88Å; F383-Y507 AromaticContact CZ-CD2 3.59Å; F383-Y507 HydrophobicContact CZ-CD2 3.59Å; F383-Y507 HydrophobicContact CZ-CE2 4.24Å; F383-Y507 HydrophobicContact CZ-CG 4.05Å; F383-Y795 HydrophobicContact CD2-CD2 4.49Å; F383-Y795 AromaticContact CD2-CE2 3.79Å; F383-Y795 HydrophobicContact CD2-CE2 3.79Å; F383-Y795 AromaticContact CE2-CE2 3.79Å; F383-Y795 HydrophobicContact CE2-CE2 3.79Å; F383-Y795 HydrophobicContact CG-CE2 4.36Å; F383-Y795 HydrophobicContact CZ-CE2 4.38Å
384	V	94.3	Very high	90.6	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	109	171.3	178	0	0	0	0	109	L381 I405 I432 P434 V502 I503 G504	L381-V384 HydrophobicContact CB-CG2 4.28Å; L381-V384 HydrophobicContact CD1-CG2 4.13Å; L381-V384 HydrophobicContact CD2-CG2 4.36Å; V384-I405 HydrophobicContact CG1-CG2 4.32Å; V384-I405 HydrophobicContact CG2-CG2 4.39Å; V384-I432 HydrophobicContact CB-CG2 4.47Å; V384-I432 HydrophobicContact CG1-CB 4.26Å; V384-I432 HydrophobicContact CG1-CG2 3.75Å; V384-I432 HydrophobicContact CG2-CG2 3.78Å; V384-P434 HydrophobicContact CB-CG 4.21Å; V384-P434 HydrophobicContact CG2-CG 3.93Å; V384-V502 PolarHBondContact N-O 3.16Å; V384-I503 HydrophobicContact CB-CG1 4.34Å; V384-I503 CarbonylContact O-C 3.55Å; V384-I503 WeakPolarHBondContact O-CA 3.33Å; V384-I503 WeakPolarHBondContact O-CG1 3.49Å; V384-G504 PolarHBondContact O-N 2.99Å
385	G	92.8	Very high	88.9	Confident	2 Å²	2	32.8 Å²	32.8	2%	0.021	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-72.6	167.6	176.8	0	0	0	0	0	113.6	R403 W404	G385-R403 PolarHBondContact O-NH1 2.84Å; G385-R403 VanDerWaalsContact O-NH1 3.14Å; G385-W404 WeakPolarHBondContact CA-O 3.47Å; G385-W404 PolarHBondContact N-O 2.87Å
386	R	93.9	Very high	87.4	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.015	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-68.8	157.1	172.4	71.6	-172.1	-175.8	-169.3	4.3	112.1	Q388 R403 G505 Y722 E842	R386-Q388 PolarHBondContact O-N 3.29Å; R386-R403 WeakPolarHBondContact O-CB 3.47Å; R386-G505 WeakPolarHBondContact CD-O 3.38Å; R386-Y722 CarbonylContact C-O 3.59Å; R386-Y722 VanDerWaalsContact CA-O 3.27Å; R386-Y722 WeakPolarHBondContact CA-O 3.35Å; R386-Y722 HydrophobicContact CB-CD1 4.01Å; R386-Y722 HydrophobicContact CB-CG 4.48Å; R386-E842 IonicContact CZ-OE1 2.66Å; R386-E842 IonicContact CZ-OE2 3.34Å; R386-E842 VanDerWaalsContact NH1-CD 3.25Å; R386-E842 IonicContact NH1-OE1 2.71Å; R386-E842 PolarHBondContact NH1-OE1 2.96Å; R386-E842 IonicContact NH1-OE2 3.71Å; R386-E842 PolarHBondContact NH1-OE2 2.73Å; R386-E842 IonicContact NH2-OE1 3.36Å; R386-E842 IonicContact NH2-OE2 2.68Å; R386-E842 PolarHBondContact NH2-OE2 3.39Å
387	V	95.9	Very high	86.4	Confident	4 Å²	4	41 Å²	41	2%	0.024	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-68.4	126.8	171	-178.9	0	0	0	0	110	Y402 R403 F429 R545 Y722 S724	V387-Y402 CarbonylContact C-O 3.15Å; V387-Y402 WeakPolarHBondContact CA-O 3.36Å; V387-R403 VanDerWaalsContact CG2-CZ 3.48Å; V387-R403 VanDerWaalsContact CG2-NH2 3.34Å; V387-F429 HydrophobicContact CG1-CE1 4.36Å; V387-F429 HydrophobicContact CG2-CE1 3.87Å; V387-F429 HydrophobicContact CG2-CZ 4.35Å; V387-R545 VanDerWaalsContact O-CD 3.3Å; V387-R545 WeakPolarHBondContact O-CD 3.34Å; V387-Y722 PolarHBondContact N-O 2.99Å; V387-S724 WeakPolarHBondContact CG1-OG 3.42Å
388	Q	94.8	Very high	85.8	Confident	8 Å²	8	42 Å²	42	4%	0.037	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	159.5	168.8	-71.4	168.9	-57.4	0	0	109.3	R386 S401 Y402 R545 Q547	R386-Q388 PolarHBondContact O-N 3.29Å; Q388-S401 WeakPolarHBondContact O-CA 3.4Å; Q388-Y402 HydrophobicContact CB-CD1 4.2Å; Q388-Y402 HydrophobicContact CB-CD2 4.48Å; Q388-Y402 HydrophobicContact CB-CE1 3.62Å; Q388-Y402 HydrophobicContact CB-CE2 3.94Å; Q388-Y402 VanDerWaalsContact CB-CZ 3.46Å; Q388-Y402 PolarHBondContact N-O 3.1Å; Q388-Y402 WeakPolarHBondContact O-CD1 3.4Å; Q388-Y402 PolarHBondContact O-N 3.08Å; Q388-R545 CarbonylContact C-O 3.47Å; Q388-Q547 HydrophobicContact CB-CB 4.45Å; Q388-Q547 HydrophobicContact CG-CB 4.48Å
389	R	94.8	Very high	85.6	Confident	5 Å²	5	41.3 Å²	41.3	2%	0.019	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.4	174.9	-69.5	168.8	74.5	-129.1	6.2	109.4	W192 F399 W400 Y544 R545 E546 Q547	W192-R389 PolarHBondContact O-NE 3.08Å; W192-R389 PolarHBondContact O-NH2 2.84Å; R389-F399 HydrophobicContact CB-CD1 3.96Å; R389-F399 VanDerWaalsContact NH2-CG 3.32Å; R389-W400 VanDerWaalsContact CA-O 3.25Å; R389-W400 WeakPolarHBondContact CA-O 3.42Å; R389-Y544 WeakPolarHBondContact CD-O 3.42Å; R389-Y544 PolarHBondContact NH1-O 3.14Å; R389-R545 HydrophobicContact CB-CB 4.42Å; R389-R545 HydrophobicContact CG-CB 4.06Å; R389-R545 PolarHBondContact N-O 2.8Å; R389-E546 WeakPolarHBondContact O-CA 3.39Å; R389-Q547 PolarHBondContact O-N 3.01Å
390	S	91.2	Very high	85.6	Confident	32 Å²	32	45.1 Å²	45.1	22%	0.224	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.6	173.8	55.1	0	0	0	0	109.8	F399 W400	S390-F399 WeakPolarHBondContact O-CA 3.46Å; S390-W400 PolarHBondContact N-O 2.85Å; S390-W400 PolarHBondContact O-N 2.6Å
391	K	89	Confident	85.8	Confident	83 Å²	83	44.3 Å²	44.3	36%	0.361	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	128.7	-173.9	-149	175.2	-166.5	175.9	0	110	K393 E394 R396 F399	K391-K393 VanDerWaalsContact C-N 3.32Å; K391-K393 PolarHBondContact O-N 3.2Å; K391-E394 WeakPolarHBondContact CE-O 3.39Å; K391-E394 PolarHBondContact NZ-O 2.85Å; K391-R396 WeakPolarHBondContact CE-O 3.47Å; K391-F399 HydrophobicContact CB-CD1 4.28Å; K391-F399 HydrophobicContact CB-CE1 3.94Å; K391-F399 HydrophobicContact CB-CZ 4.44Å; K391-F399 HydrophobicContact CD-CZ 4.32Å; K391-F399 HydrophobicContact CG-CD1 4.4Å; K391-F399 HydrophobicContact CG-CE1 3.88Å; K391-F399 HydrophobicContact CG-CE2 4.37Å; K391-F399 HydrophobicContact CG-CZ 3.87Å
392	K	84.8	Confident	86	Confident	56 Å²	56	45.4 Å²	45.4	24%	0.243	21%	0.211	C	C	.	.	S	Bend	trans	-69.1	-31.8	-176.4	-59.8	-154.6	-179	-157.6	0	112.7	E195 D398 F399 W400	E195-K392 IonicContact OE1-NZ 3.85Å; E195-K392 PolarHBondContact OE1-NZ 3.39Å; K392-D398 HydrophobicContact CB-CB 4.05Å; K392-D398 WeakPolarHBondContact CB-O 3.17Å; K392-D398 HydrophobicContact CD-CB 4.27Å; K392-D398 HydrophobicContact CG-CB 4.12Å; K392-D398 WeakPolarHBondContact CG-O 3.19Å; K392-D398 PolarHBondContact N-O 3.47Å; K392-F399 VanDerWaalsContact CE-C 3.47Å; K392-F399 WeakPolarHBondContact CE-O 3.46Å; K392-W400 HydrophobicContact CD-CD2 3.92Å; K392-W400 HydrophobicContact CD-CE3 4.37Å; K392-W400 HydrophobicContact CD-CG 4.35Å; K392-W400 HydrophobicContact CD-CH2 4.3Å; K392-W400 HydrophobicContact CD-CZ2 3.82Å; K392-W400 HydrophobicContact CG-CD2 4.08Å; K392-W400 HydrophobicContact CG-CG 4.02Å; K392-W400 HydrophobicContact CG-CZ2 4.38Å; K392-W400 VanDerWaalsContact NZ-CH2 3.31Å
393	K	77.9	Confident	86.2	Confident	135 Å²	135	43.8 Å²	43.8	59%	0.587	20%	0.201	S	C	*	.	S	Bend	trans	-153.2	140	174	-62.3	-166.1	176.9	-162.9	0	108.6	K391 N395 R396	K391-K393 VanDerWaalsContact C-N 3.32Å; K391-K393 PolarHBondContact O-N 3.2Å; K393-N395 PolarHBondContact O-N 3.43Å; K393-N395 VanDerWaalsContact O-N 3.14Å; K393-R396 HydrophobicContact CB-CB 4.44Å; K393-R396 HydrophobicContact CB-CG 4.31Å; K393-R396 PolarHBondContact O-N 2.67Å; K393-R396 VanDerWaalsContact O-N 3.12Å
394	E	63.7	Low	86.4	Confident	122 Å²	122	44 Å²	44	57%	0.57	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48	-45.9	-176.8	-67.4	143.7	162.5	0	0	112.4	K391 R396 K524	K391-E394 WeakPolarHBondContact CE-O 3.39Å; K391-E394 PolarHBondContact NZ-O 2.85Å; E394-R396 PolarHBondContact O-N 2.96Å; E394-K524 IonicContact OE1-NZ 3.81Å; E394-K524 PolarHBondContact OE1-NZ 3.12Å; E394-K524 IonicContact OE2-NZ 2.68Å; E394-K524 PolarHBondContact OE2-NZ 3.33Å
395	N	56.2	Low	86.4	Confident	159 Å²	159	43.9 Å²	43.9	85%	0.85	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	34.1	-176.1	-59.5	-8.2	0	0	0	114.1	K393	K393-N395 PolarHBondContact O-N 3.43Å; K393-N395 VanDerWaalsContact O-N 3.14Å
396	R	63.5	Low	86.4	Confident	122 Å²	122	44.3 Å²	44.3	46%	0.46	20%	0.203	S	C	.	.	S	Bend	trans	-144	148	175.9	-67.8	-165.1	175.7	-159.1	-4.2	113.8	K391 K393 E394 D398	K391-R396 WeakPolarHBondContact CE-O 3.47Å; K393-R396 HydrophobicContact CB-CB 4.44Å; K393-R396 HydrophobicContact CB-CG 4.31Å; K393-R396 PolarHBondContact O-N 2.67Å; K393-R396 VanDerWaalsContact O-N 3.12Å; E394-R396 PolarHBondContact O-N 2.96Å; R396-D398 HydrophobicContact CB-CB 4.17Å; R396-D398 WeakPolarHBondContact CD-OD2 3.38Å; R396-D398 IonicContact NH1-OD2 3.37Å; R396-D398 PolarHBondContact NH1-OD2 3.18Å; R396-D398 VanDerWaalsContact NH1-OD2 3.13Å; R396-D398 PolarHBondContact O-N 3.13Å; R396-D398 VanDerWaalsContact O-N 3.1Å
397	E	72	Confident	86.4	Confident	54 Å²	54	44.1 Å²	44.1	25%	0.252	20%	0.202	S	C	.	.	S	Bend	trans	-79.3	28.1	168.9	-57.5	-176.2	151.3	0	0	112.5	Y93 Y119	Y93-E397 HydrophobicContact CD2-CB 3.75Å; Y93-E397 WeakPolarHBondContact CD2-OE2 3.18Å; Y93-E397 HydrophobicContact CE2-CB 3.8Å; Y93-E397 WeakPolarHBondContact CE2-O 3.03Å; Y119-E397 WeakPolarHBondContact CE2-OE1 3.28Å; Y119-E397 PolarHBondContact OH-OE1 3.12Å; Y119-E397 PolarHBondContact OH-OE2 2.98Å
398	D	83.7	Confident	86.2	Confident	20 Å²	20	44.8 Å²	44.8	11%	0.107	21%	0.208	C	C	.	.			trans	-101.3	126.8	178.9	-68.8	-26.7	0	0	0	109.2	Y93 N194 K392 R396	Y93-D398 PolarHBondContact OH-OD1 2.87Å; N194-D398 PolarHBondContact ND2-OD1 2.87Å; K392-D398 HydrophobicContact CB-CB 4.05Å; K392-D398 WeakPolarHBondContact CB-O 3.17Å; K392-D398 HydrophobicContact CD-CB 4.27Å; K392-D398 HydrophobicContact CG-CB 4.12Å; K392-D398 WeakPolarHBondContact CG-O 3.19Å; K392-D398 PolarHBondContact N-O 3.47Å; R396-D398 HydrophobicContact CB-CB 4.17Å; R396-D398 WeakPolarHBondContact CD-OD2 3.38Å; R396-D398 IonicContact NH1-OD2 3.37Å; R396-D398 PolarHBondContact NH1-OD2 3.18Å; R396-D398 VanDerWaalsContact NH1-OD2 3.13Å; R396-D398 PolarHBondContact O-N 3.13Å; R396-D398 VanDerWaalsContact O-N 3.1Å
399	F	90.9	Very high	86.1	Confident	1 Å²	1	44.9 Å²	44.9	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.9	-178.3	-72.9	-96.6	0	0	0	112.9	R389 S390 K391 K392 Q543 E546	R389-F399 HydrophobicContact CB-CD1 3.96Å; R389-F399 VanDerWaalsContact NH2-CG 3.32Å; S390-F399 WeakPolarHBondContact O-CA 3.46Å; K391-F399 HydrophobicContact CB-CD1 4.28Å; K391-F399 HydrophobicContact CB-CE1 3.94Å; K391-F399 HydrophobicContact CB-CZ 4.44Å; K391-F399 HydrophobicContact CD-CZ 4.32Å; K391-F399 HydrophobicContact CG-CD1 4.4Å; K391-F399 HydrophobicContact CG-CE1 3.88Å; K391-F399 HydrophobicContact CG-CE2 4.37Å; K391-F399 HydrophobicContact CG-CZ 3.87Å; K392-F399 VanDerWaalsContact CE-C 3.47Å; K392-F399 WeakPolarHBondContact CE-O 3.46Å; F399-Q543 HydrophobicContact CE2-CG 4.26Å; F399-Q543 HydrophobicContact CZ-CB 3.96Å; F399-Q543 HydrophobicContact CZ-CG 3.9Å; F399-E546 HydrophobicContact CE1-CB 4.21Å; F399-E546 VanDerWaalsContact CE1-CD 3.48Å; F399-E546 HydrophobicContact CE1-CG 3.9Å; F399-E546 WeakPolarHBondContact CE1-OE2 3.46Å; F399-E546 WeakPolarHBondContact CZ-OE2 3.33Å
400	W	92.4	Very high	85.8	Confident	81 Å²	81	46.2 Å²	46.2	31%	0.307	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	153	155.6	-52	106.6	0	0	0	109.3	E195 R389 S390 K392 F421	E195-W400 WeakPolarHBondContact OE1-CZ3 3.44Å; E195-W400 VanDerWaalsContact OE2-CE3 3.26Å; E195-W400 VanDerWaalsContact OE2-CZ3 3.27Å; E195-W400 WeakPolarHBondContact OE2-CZ3 3.39Å; R389-W400 VanDerWaalsContact CA-O 3.25Å; R389-W400 WeakPolarHBondContact CA-O 3.42Å; S390-W400 PolarHBondContact N-O 2.85Å; S390-W400 PolarHBondContact O-N 2.6Å; K392-W400 HydrophobicContact CD-CD2 3.92Å; K392-W400 HydrophobicContact CD-CE3 4.37Å; K392-W400 HydrophobicContact CD-CG 4.35Å; K392-W400 HydrophobicContact CD-CH2 4.3Å; K392-W400 HydrophobicContact CD-CZ2 3.82Å; K392-W400 HydrophobicContact CG-CD2 4.08Å; K392-W400 HydrophobicContact CG-CG 4.02Å; K392-W400 HydrophobicContact CG-CZ2 4.38Å; K392-W400 VanDerWaalsContact NZ-CH2 3.31Å; W400-F421 HydrophobicContact CB-CD1 3.81Å; W400-F421 HydrophobicContact CB-CE1 3.75Å; W400-F421 HydrophobicContact CG-CD1 4.37Å; W400-F421 HydrophobicContact CG-CE1 4.14Å
401	S	95.3	Very high	85.8	Confident	5 Å²	5	47.6 Å²	47.6	4%	0.035	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.7	167.7	-58.1	0	0	0	0	109	Q388 F421 S422	Q388-S401 WeakPolarHBondContact O-CA 3.4Å; S401-F421 CarbonylContact O-C 3.53Å; S401-F421 WeakPolarHBondContact O-CA 3.4Å; S401-S422 PolarHBondContact O-N 3.31Å
402	Y	96.2	Very high	85.8	Confident	22 Å²	22	45.7 Å²	45.7	9%	0.086	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	167.6	-176	70.6	-78.1	0	0	0	111.8	V387 Q388 W404 E419 L420 F421	V387-Y402 CarbonylContact C-O 3.15Å; V387-Y402 WeakPolarHBondContact CA-O 3.36Å; Q388-Y402 HydrophobicContact CB-CD1 4.2Å; Q388-Y402 HydrophobicContact CB-CD2 4.48Å; Q388-Y402 HydrophobicContact CB-CE1 3.62Å; Q388-Y402 HydrophobicContact CB-CE2 3.94Å; Q388-Y402 VanDerWaalsContact CB-CZ 3.46Å; Q388-Y402 PolarHBondContact N-O 3.1Å; Q388-Y402 WeakPolarHBondContact O-CD1 3.4Å; Q388-Y402 PolarHBondContact O-N 3.08Å; Y402-W404 AromaticContact CE2-NE1 3.83Å; Y402-E419 HydrophobicContact CD2-CG 4.25Å; Y402-L420 CarbonylContact C-O 3.41Å; Y402-L420 WeakPolarHBondContact CA-O 3.4Å; Y402-L420 WeakPolarHBondContact CB-O 3.41Å; Y402-F421 HydrophobicContact CD1-CE1 4.13Å; Y402-F421 HydrophobicContact CG-CD1 4.37Å; Y402-F421 HydrophobicContact CG-CE1 4.14Å
403	R	95.8	Very high	85.6	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	154	166.8	66.6	174	83.1	-133.6	13.1	110.1	G385 R386 V387 I405 L420 F429 N723	G385-R403 PolarHBondContact O-NH1 2.84Å; G385-R403 VanDerWaalsContact O-NH1 3.14Å; R386-R403 WeakPolarHBondContact O-CB 3.47Å; V387-R403 VanDerWaalsContact CG2-CZ 3.48Å; V387-R403 VanDerWaalsContact CG2-NH2 3.34Å; R403-I405 HydrophobicContact CG-CG2 4.11Å; R403-L420 HydrophobicContact CG-CB 4.47Å; R403-L420 PolarHBondContact N-O 2.94Å; R403-L420 PolarHBondContact O-N 3.31Å; R403-F429 HydrophobicContact CG-CE2 4.11Å; R403-F429 HydrophobicContact CG-CZ 4.15Å; R403-F429 PolarHBondContact NH2-O 2.82Å; R403-N723 PolarHBondContact NH1-OD1 2.75Å; R403-N723 PolarHBondContact NH2-OD1 2.9Å
404	W	94.8	Very high	85.8	Confident	5 Å²	5	49.5 Å²	49.5	2%	0.019	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137.2	169.5	-67.4	99.3	0	0	0	110.6	F383 G385 Y402 I417 V418 E419 Y457 Y507 Y509	F383-W404 HydrophobicContact CE1-CB 4.38Å; G385-W404 WeakPolarHBondContact CA-O 3.47Å; G385-W404 PolarHBondContact N-O 2.87Å; Y402-W404 AromaticContact CE2-NE1 3.83Å; W404-I417 HydrophobicContact CE3-CG2 3.83Å; W404-I417 HydrophobicContact CZ3-CG2 3.97Å; W404-V418 WeakPolarHBondContact CA-O 3.39Å; W404-E419 HydrophobicContact CE3-CB 4.07Å; W404-E419 HydrophobicContact CH2-CB 3.56Å; W404-E419 HydrophobicContact CH2-CG 3.81Å; W404-E419 HydrophobicContact CZ2-CB 4.19Å; W404-E419 HydrophobicContact CZ2-CG 3.95Å; W404-E419 HydrophobicContact CZ3-CB 3.52Å; W404-E419 HydrophobicContact CZ3-CG 4.2Å; W404-Y457 AromaticContact CH2-CD2 3.8Å; W404-Y457 HydrophobicContact CH2-CD2 3.8Å; W404-Y457 AromaticContact CH2-CE2 3.81Å; W404-Y457 HydrophobicContact CH2-CE2 3.81Å; W404-Y457 HydrophobicContact CH2-CG 4.39Å; W404-Y457 AromaticContact CZ3-CD2 3.76Å; W404-Y457 HydrophobicContact CZ3-CD2 3.76Å; W404-Y457 HydrophobicContact CZ3-CE2 4.25Å; W404-Y457 HydrophobicContact CZ3-CG 4.21Å; W404-Y507 HydrophobicContact CB-CD1 3.46Å; W404-Y507 VanDerWaalsContact CB-CD1 3.46Å; W404-Y507 HydrophobicContact CB-CE1 3.73Å; W404-Y507 HydrophobicContact CB-CG 4.23Å; W404-Y507 AromaticContact CD1-CD1 3.58Å; W404-Y507 HydrophobicContact CD2-CD1 4.01Å; W404-Y507 AromaticContact CD2-CE1 3.98Å; W404-Y507 HydrophobicContact CD2-CE1 3.98Å; W404-Y507 HydrophobicContact CE3-CE1 4.29Å; W404-Y507 AromaticContact CG-CD1 3.37Å; W404-Y507 HydrophobicContact CG-CD1 3.37Å; W404-Y507 AromaticContact CG-CE1 3.73Å; W404-Y507 HydrophobicContact CG-CE1 3.73Å; W404-Y507 HydrophobicContact CG-CG 4.42Å; W404-Y509 HydrophobicContact CD2-CD1 4.35Å; W404-Y509 AromaticContact CE3-CD1 3.94Å; W404-Y509 HydrophobicContact CE3-CD1 3.94Å; W404-Y509 AromaticContact CH2-CD1 3.4Å; W404-Y509 HydrophobicContact CH2-CD1 3.4Å; W404-Y509 VanDerWaalsContact CH2-CD1 3.4Å; W404-Y509 AromaticContact CH2-CE1 3.85Å; W404-Y509 HydrophobicContact CH2-CE1 3.85Å; W404-Y509 AromaticContact CZ2-CD1 3.82Å; W404-Y509 HydrophobicContact CZ2-CD1 3.82Å; W404-Y509 WeakPolarHBondContact CZ2-O 2.97Å; W404-Y509 AromaticContact CZ3-CD1 3.43Å; W404-Y509 HydrophobicContact CZ3-CD1 3.43Å; W404-Y509 VanDerWaalsContact CZ3-CD1 3.43Å; W404-Y509 AromaticContact CZ3-CE1 3.75Å; W404-Y509 HydrophobicContact CZ3-CE1 3.75Å; W404-Y509 HydrophobicContact CZ3-CG 4.47Å; W404-Y509 PolarHBondContact NE1-O 2.91Å
405	I	95.2	Very high	87.1	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.7	174.4	62.1	174.1	0	0	0	110.8	L381 F383 V384 R403 I407 V418 L420 I432 F438	L381-I405 HydrophobicContact CD2-CB 3.98Å; L381-I405 HydrophobicContact CD2-CD1 3.96Å; L381-I405 HydrophobicContact CD2-CG1 4.38Å; L381-I405 HydrophobicContact CD2-CG2 4.48Å; F383-I405 WeakPolarHBondContact O-CA 3.26Å; V384-I405 HydrophobicContact CG1-CG2 4.32Å; V384-I405 HydrophobicContact CG2-CG2 4.39Å; R403-I405 HydrophobicContact CG-CG2 4.11Å; I405-I407 HydrophobicContact CD1-CD1 4.19Å; I405-I407 HydrophobicContact CD1-CG1 4.31Å; I405-V418 HydrophobicContact CD1-CB 4.18Å; I405-V418 HydrophobicContact CG1-CB 3.71Å; I405-V418 HydrophobicContact CG1-CG2 4.31Å; I405-V418 PolarHBondContact N-O 2.85Å; I405-V418 PolarHBondContact O-N 3.48Å; I405-L420 HydrophobicContact CD1-CB 4.28Å; I405-L420 HydrophobicContact CD1-CD1 4.36Å; I405-L420 HydrophobicContact CD1-CD2 4.28Å; I405-L420 HydrophobicContact CG1-CB 4.46Å; I405-I432 HydrophobicContact CG2-CG2 4.48Å; I405-F438 HydrophobicContact CD1-CD1 4.16Å; I405-F438 HydrophobicContact CD1-CE1 3.4Å; I405-F438 VanDerWaalsContact CD1-CE1 3.4Å; I405-F438 HydrophobicContact CD1-CE2 4.34Å; I405-F438 HydrophobicContact CD1-CZ 3.5Å; I405-F438 VanDerWaalsContact CD1-CZ 3.5Å
406	H	93.3	Very high	88.8	Confident	11 Å²	11	37.7 Å²	37.7	5%	0.051	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.4	169	-63.1	165.5	0	0	0	111	L381 V382 F383 P415 F416 Y507	L381-H406 WeakPolarHBondContact CA-O 3.26Å; V382-H406 HydrophobicContact CG2-CB 3.6Å; V382-H406 PolarHBondContact N-O 2.79Å; F383-H406 HydrophobicContact CB-CB 3.75Å; F383-H406 WeakPolarHBondContact CB-ND1 3.47Å; F383-H406 AromaticContact CD1-CE1 3.95Å; F383-H406 AromaticContact CD1-CG 4Å; F383-H406 AromaticContact CD1-ND1 3.94Å; F383-H406 AromaticContact CG-ND1 4Å; F383-H406 PolarHBondContact O-N 2.97Å; H406-P415 HydrophobicContact CB-CB 3.72Å; H406-P415 HydrophobicContact CB-CG 3.9Å; H406-F416 VanDerWaalsContact CA-O 3.29Å; H406-F416 WeakPolarHBondContact CA-O 3.23Å; H406-Y507 AromaticContact CE1-CE2 3.88Å; H406-Y507 AromaticContact CE1-CZ 3.97Å; H406-Y507 PolarHBondContact CE1-OH 2.9Å; H406-Y507 AromaticContact NE2-CE2 3.78Å; H406-Y507 AromaticContact NE2-CZ 3.42Å; H406-Y507 PolarHBondContact NE2-OH 2.95Å
407	I	93.4	Very high	90.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134	177.9	-54.2	165	0	0	0	108.4	V377 L380 L381 I405 P415 F416 V418 F438	V377-I407 HydrophobicContact CG2-CD1 3.84Å; L380-I407 CarbonylContact O-C 3.58Å; L380-I407 WeakPolarHBondContact O-CA 3.3Å; L381-I407 HydrophobicContact CD2-CG1 3.92Å; I405-I407 HydrophobicContact CD1-CD1 4.19Å; I405-I407 HydrophobicContact CD1-CG1 4.31Å; I407-P415 CarbonylContact O-C 3.59Å; I407-P415 VanDerWaalsContact O-CA 3.28Å; I407-P415 WeakPolarHBondContact O-CA 3.43Å; I407-P415 VanDerWaalsContact O-CB 3.31Å; I407-P415 WeakPolarHBondContact O-CB 3.36Å; I407-F416 HydrophobicContact CB-CB 4.18Å; I407-F416 HydrophobicContact CB-CD2 4.09Å; I407-F416 HydrophobicContact CG2-CD2 4.21Å; I407-F416 PolarHBondContact N-O 3.13Å; I407-F416 VanDerWaalsContact N-O 3.09Å; I407-F416 WeakPolarHBondContact O-CD2 3.46Å; I407-F416 PolarHBondContact O-N 3.36Å; I407-V418 HydrophobicContact CD1-CG2 3.79Å; I407-V418 HydrophobicContact CG1-CG2 4.47Å; I407-F438 HydrophobicContact CD1-CD1 3.61Å; I407-F438 HydrophobicContact CD1-CE1 3.93Å; I407-F438 HydrophobicContact CG1-CD1 4.16Å
408	A	91.1	Very high	91.4	Very high	18 Å²	18	30.4 Å²	30.4	15%	0.149	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132.5	174.3	0	0	0	0	0	111	G379 L380 V382 W488	G379-A408 WeakPolarHBondContact CA-O 3.12Å; L380-A408 PolarHBondContact N-O 3.14Å; L380-A408 PolarHBondContact O-N 3.12Å; V382-A408 HydrophobicContact CG1-CB 3.82Å; V382-A408 HydrophobicContact CG2-CB 4.5Å; A408-W488 HydrophobicContact CB-CH2 4.23Å
409	D	92.1	Very high	92	Very high	10 Å²	10	30.9 Å²	30.9	5%	0.053	17%	0.165	C	C	.	.			trans	-112.6	-9.7	-178.1	70.4	-7.1	0	0	0	114.5	T362 R363 T411 F416 F485	T362-D409 WeakPolarHBondContact CA-OD2 3.4Å; T362-D409 WeakPolarHBondContact CB-OD2 3.4Å; R363-D409 PolarHBondContact N-OD2 2.83Å; D409-T411 VanDerWaalsContact CG-OG1 3.24Å; D409-T411 WeakPolarHBondContact OD1-CB 3.44Å; D409-T411 PolarHBondContact OD1-N 2.86Å; D409-T411 PolarHBondContact OD1-OG1 2.88Å; D409-T411 PolarHBondContact OD2-OG1 2.86Å; D409-F416 HydrophobicContact CB-CE2 4.16Å; D409-F485 HydrophobicContact CB-CD2 4.37Å
410	G	88.7	Confident	92.4	Very high	33 Å²	33	30.9 Å²	30.9	34%	0.34	17%	0.165	S	C	.	.	S	Bend	trans	90.7	5.2	-177.5	0	0	0	0	0	115.8	W488	G410-W488 VanDerWaalsContact CA-CZ2 3.5Å
411	T	91.9	Very high	92.5	Very high	60 Å²	60	28.5 Å²	28.5	37%	0.368	16%	0.157	S	C	.	.	S	Bend	trans	-96.9	-11	179.4	68.1	0	0	0	0	114.4	T362 R363 S364 D409	T362-T411 HydrophobicContact CG2-CG2 3.96Å; R363-T411 PolarHBondContact N-OG1 2.97Å; S364-T411 PolarHBondContact N-OG1 2.98Å; S364-T411 VanDerWaalsContact N-OG1 3.08Å; S364-T411 WeakPolarHBondContact OG-CB 3.41Å; S364-T411 PolarHBondContact OG-OG1 3.29Å; D409-T411 VanDerWaalsContact CG-OG1 3.24Å; D409-T411 WeakPolarHBondContact OD1-CB 3.44Å; D409-T411 PolarHBondContact OD1-N 2.86Å; D409-T411 PolarHBondContact OD1-OG1 2.88Å; D409-T411 PolarHBondContact OD2-OG1 2.86Å
412	S	88.2	Confident	92.5	Very high	43 Å²	43	28.3 Å²	28.3	30%	0.301	16%	0.155	S	C	.	.			trans	-152.8	155.9	175.6	-173.7	0	0	0	0	109.8	Q414	S412-Q414 VanDerWaalsContact C-N 3.3Å; S412-Q414 PolarHBondContact OG-N 2.97Å
413	E	80.5	Confident	92.4	Very high	154 Å²	154	27.6 Å²	27.6	72%	0.72	15%	0.153	S	C	*	.	S	Bend	trans	-74	-23.6	169.9	-69.5	-57.6	132.6	0	0	112.2	Q797	E413-Q797 PolarHBondContact OE2-NE2 3.28Å
414	Q	83.7	Confident	92.3	Very high	118 Å²	118	27.7 Å²	27.7	55%	0.551	15%	0.154	S	C	*	.	S	Bend	trans	-76.1	144.2	169.1	-64.1	-170.4	12.5	0	0	110	R363 S412	R363-Q414 VanDerWaalsContact CG-O 3.3Å; R363-Q414 WeakPolarHBondContact CG-O 3.5Å; S412-Q414 VanDerWaalsContact C-N 3.3Å; S412-Q414 PolarHBondContact OG-N 2.97Å
415	P	89.8	Confident	92.3	Very high	32 Å²	32	29 Å²	29	21%	0.208	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-82.1	168.7	169.3	34.2	-34.8	0	0	0	112	R363 V382 H406 I407	R363-P415 WeakPolarHBondContact CD-O 3.37Å; R363-P415 PolarHBondContact NE-O 3.28Å; V382-P415 HydrophobicContact CG2-CB 4.38Å; H406-P415 HydrophobicContact CB-CB 3.72Å; H406-P415 HydrophobicContact CB-CG 3.9Å; I407-P415 CarbonylContact O-C 3.59Å; I407-P415 VanDerWaalsContact O-CA 3.28Å; I407-P415 WeakPolarHBondContact O-CA 3.43Å; I407-P415 VanDerWaalsContact O-CB 3.31Å; I407-P415 WeakPolarHBondContact O-CB 3.36Å
416	F	92.8	Very high	92.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	126.6	152.5	-60.8	-92.4	0	0	0	108.8	T361 T362 R363 L366 V377 H406 I407 D409 V418 L458	T361-F416 WeakPolarHBondContact O-CZ 3.39Å; T362-F416 VanDerWaalsContact C-CZ 3.48Å; R363-F416 HydrophobicContact CB-CD2 4.07Å; R363-F416 HydrophobicContact CB-CE1 4.27Å; R363-F416 HydrophobicContact CB-CE2 3.74Å; R363-F416 HydrophobicContact CB-CG 4.47Å; R363-F416 HydrophobicContact CB-CZ 3.86Å; L366-F416 HydrophobicContact CB-CE1 4.43Å; L366-F416 HydrophobicContact CD2-CD1 3.82Å; L366-F416 HydrophobicContact CD2-CE1 4.24Å; V377-F416 HydrophobicContact CB-CE1 4.37Å; V377-F416 HydrophobicContact CB-CZ 4.31Å; V377-F416 HydrophobicContact CG1-CD1 3.9Å; V377-F416 HydrophobicContact CG1-CE1 3.56Å; V377-F416 HydrophobicContact CG1-CZ 3.93Å; H406-F416 VanDerWaalsContact CA-O 3.29Å; H406-F416 WeakPolarHBondContact CA-O 3.23Å; I407-F416 HydrophobicContact CB-CB 4.18Å; I407-F416 HydrophobicContact CB-CD2 4.09Å; I407-F416 HydrophobicContact CG2-CD2 4.21Å; I407-F416 PolarHBondContact N-O 3.13Å; I407-F416 VanDerWaalsContact N-O 3.09Å; I407-F416 WeakPolarHBondContact O-CD2 3.46Å; I407-F416 PolarHBondContact O-N 3.36Å; D409-F416 HydrophobicContact CB-CE2 4.16Å; F416-V418 HydrophobicContact CB-CG2 4.19Å; F416-L458 HydrophobicContact CD1-CD1 3.8Å; F416-L458 HydrophobicContact CE1-CD1 4.42Å
417	I	93.4	Very high	92	Very high	23 Å²	23	34 Å²	34	12%	0.118	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.3	165.5	-56.1	178.9	0	0	0	107.5	W404 Y457 L458 Y509	W404-I417 HydrophobicContact CE3-CG2 3.83Å; W404-I417 HydrophobicContact CZ3-CG2 3.97Å; I417-Y457 WeakPolarHBondContact O-CA 3.43Å; I417-Y457 WeakPolarHBondContact O-CB 3.4Å; I417-L458 PolarHBondContact O-N 3.29Å; I417-Y509 HydrophobicContact CD1-CD2 4.26Å; I417-Y509 HydrophobicContact CD1-CE2 3.6Å; I417-Y509 HydrophobicContact CG2-CD1 4.27Å; I417-Y509 HydrophobicContact CG2-CE1 4.04Å; I417-Y509 HydrophobicContact CG2-CE2 4.31Å
418	V	96.4	Very high	92	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.5	-179.5	-166.6	0	0	0	0	111.5	W404 I405 I407 F416 L420 L443 L458	W404-V418 WeakPolarHBondContact CA-O 3.39Å; I405-V418 HydrophobicContact CD1-CB 4.18Å; I405-V418 HydrophobicContact CG1-CB 3.71Å; I405-V418 HydrophobicContact CG1-CG2 4.31Å; I405-V418 PolarHBondContact N-O 2.85Å; I405-V418 PolarHBondContact O-N 3.48Å; I407-V418 HydrophobicContact CD1-CG2 3.79Å; I407-V418 HydrophobicContact CG1-CG2 4.47Å; F416-V418 HydrophobicContact CB-CG2 4.19Å; V418-L420 PolarHBondContact O-N 3.5Å; V418-L443 HydrophobicContact CG1-CD1 3.95Å; V418-L443 HydrophobicContact CG1-CD2 3.96Å; V418-L443 HydrophobicContact CG2-CD1 4.39Å; V418-L458 CarbonylContact C-O 3.58Å; V418-L458 WeakPolarHBondContact CA-O 3.38Å; V418-L458 HydrophobicContact CB-CB 4.47Å; V418-L458 HydrophobicContact CG1-CB 4.12Å; V418-L458 HydrophobicContact CG2-CB 4.18Å; V418-L458 HydrophobicContact CG2-CD1 4.43Å
419	E	97.4	Very high	92.1	Very high	31 Å²	31	35.6 Å²	35.6	15%	0.145	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	97.4	164.5	-168	-177.3	-143.2	0	0	108.5	Y402 W404 F421 Y457 L458 T459 T460	Y402-E419 HydrophobicContact CD2-CG 4.25Å; W404-E419 HydrophobicContact CE3-CB 4.07Å; W404-E419 HydrophobicContact CH2-CB 3.56Å; W404-E419 HydrophobicContact CH2-CG 3.81Å; W404-E419 HydrophobicContact CZ2-CB 4.19Å; W404-E419 HydrophobicContact CZ2-CG 3.95Å; W404-E419 HydrophobicContact CZ3-CB 3.52Å; W404-E419 HydrophobicContact CZ3-CG 4.2Å; E419-F421 VanDerWaalsContact CD-CE2 3.44Å; E419-F421 HydrophobicContact CG-CD2 4.29Å; E419-F421 HydrophobicContact CG-CE2 3.73Å; E419-F421 HydrophobicContact CG-CZ 4.31Å; E419-F421 WeakPolarHBondContact OE2-CE2 3.49Å; E419-Y457 HydrophobicContact CB-CD2 4.15Å; E419-Y457 HydrophobicContact CB-CE2 4.16Å; E419-L458 PolarHBondContact N-O 3.2Å; E419-T459 WeakPolarHBondContact OE2-CB 3.35Å; E419-T459 PolarHBondContact OE2-OG1 3.31Å; E419-T460 PolarHBondContact O-N 2.94Å
420	L	97.4	Very high	92.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	102.1	-176.9	-167.4	82.8	0	0	0	110	Y402 R403 I405 V418 F429 I432 F438 T460 V466	Y402-L420 CarbonylContact C-O 3.41Å; Y402-L420 WeakPolarHBondContact CA-O 3.4Å; Y402-L420 WeakPolarHBondContact CB-O 3.41Å; R403-L420 HydrophobicContact CG-CB 4.47Å; R403-L420 PolarHBondContact N-O 2.94Å; R403-L420 PolarHBondContact O-N 3.31Å; I405-L420 HydrophobicContact CD1-CB 4.28Å; I405-L420 HydrophobicContact CD1-CD1 4.36Å; I405-L420 HydrophobicContact CD1-CD2 4.28Å; I405-L420 HydrophobicContact CG1-CB 4.46Å; V418-L420 PolarHBondContact O-N 3.5Å; L420-F429 HydrophobicContact CD2-CD2 4Å; L420-F429 HydrophobicContact CD2-CE2 4.07Å; L420-F429 HydrophobicContact CG-CE2 4.39Å; L420-F429 WeakPolarHBondContact O-CE2 3.44Å; L420-I432 HydrophobicContact CD2-CD1 3.26Å; L420-F438 HydrophobicContact CD1-CZ 4Å; L420-F438 HydrophobicContact CD2-CZ 3.99Å; L420-T460 HydrophobicContact CD1-CG2 3.75Å; L420-T460 HydrophobicContact CG-CG2 4.46Å; L420-V466 HydrophobicContact CD1-CG2 3.97Å
421	F	96.5	Very high	92.3	Very high	31 Å²	31	42.6 Å²	42.6	14%	0.136	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	162.9	165.5	-67.3	-93.6	0	0	0	111.1	W400 S401 Y402 E419 T460	W400-F421 HydrophobicContact CB-CD1 3.81Å; W400-F421 HydrophobicContact CB-CE1 3.75Å; W400-F421 HydrophobicContact CG-CD1 4.37Å; W400-F421 HydrophobicContact CG-CE1 4.14Å; S401-F421 CarbonylContact O-C 3.53Å; S401-F421 WeakPolarHBondContact O-CA 3.4Å; Y402-F421 HydrophobicContact CD1-CE1 4.13Å; Y402-F421 HydrophobicContact CG-CD1 4.37Å; Y402-F421 HydrophobicContact CG-CE1 4.14Å; E419-F421 VanDerWaalsContact CD-CE2 3.44Å; E419-F421 HydrophobicContact CG-CD2 4.29Å; E419-F421 HydrophobicContact CG-CE2 3.73Å; E419-F421 HydrophobicContact CG-CZ 4.31Å; E419-F421 WeakPolarHBondContact OE2-CE2 3.49Å; F421-T460 WeakPolarHBondContact CB-OG1 3.4Å; F421-T460 WeakPolarHBondContact CD2-OG1 3.48Å; F421-T460 PolarHBondContact N-OG1 3.36Å
422	S	94.4	Very high	92.3	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.007	20%	0.2	C	C	.	.			trans	-61.2	137.5	165.6	-179.3	0	0	0	0	111.5	D196 K246 S401 S424	D196-S422 PolarHBondContact OD1-OG 3.04Å; D196-S422 WeakPolarHBondContact OD2-CB 3.5Å; D196-S422 PolarHBondContact OD2-OG 2.81Å; K246-S422 WeakPolarHBondContact CD-O 3.32Å; K246-S422 PolarHBondContact NZ-O 3.49Å; K246-S422 VanDerWaalsContact NZ-O 3.09Å; S401-S422 PolarHBondContact O-N 3.31Å; S422-S424 PolarHBondContact OG-N 3.22Å
423	T	93.7	Very high	92.6	Very high	6 Å²	6	40.5 Å²	40.5	4%	0.037	20%	0.196	C	C	.	.			trans	-112.1	20	-178.5	58.1	0	0	0	0	112.7	Q425 T460 S464 V466	T423-Q425 VanDerWaalsContact C-N 3.31Å; T423-Q425 PolarHBondContact OG1-OE1 3.43Å; T423-T460 HydrophobicContact CG2-CG2 4.39Å; T423-S464 WeakPolarHBondContact CB-O 3.13Å; T423-S464 VanDerWaalsContact CG2-O 3.3Å; T423-S464 WeakPolarHBondContact CG2-O 3.42Å; T423-V466 HydrophobicContact CG2-CG2 3.97Å
424	S	94.9	Very high	93.1	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.028	16%	0.162	C	C	.	.	S	Bend	trans	62	36.7	-169.7	-52.9	0	0	0	0	113.1	E195 D196 K246 L247 Y287 S422	E195-S424 WeakPolarHBondContact O-CB 3.42Å; E195-S424 PolarHBondContact O-OG 3.4Å; D196-S424 WeakPolarHBondContact OD1-CA 3.23Å; K246-S424 WeakPolarHBondContact CB-OG 3.22Å; L247-S424 WeakPolarHBondContact CB-OG 3.49Å; L247-S424 PolarHBondContact N-OG 2.95Å; Y287-S424 WeakPolarHBondContact OH-CB 3.17Å; S422-S424 PolarHBondContact OG-N 3.22Å
425	Q	93	Very high	93.3	Very high	32 Å²	32	29.2 Å²	29.2	15%	0.15	14%	0.144	C	C	.	.			trans	-131	59.3	178.9	-61.7	-178.5	-103.1	0	0	109.9	T423 E427 I428 F429 V466	T423-Q425 VanDerWaalsContact C-N 3.31Å; T423-Q425 PolarHBondContact OG1-OE1 3.43Å; Q425-E427 WeakPolarHBondContact CA-OE1 3.33Å; Q425-E427 PolarHBondContact O-N 2.83Å; Q425-I428 HydrophobicContact CB-CB 4.41Å; Q425-I428 PolarHBondContact O-N 2.82Å; Q425-F429 PolarHBondContact O-N 2.8Å; Q425-V466 PolarHBondContact NE2-O 3.44Å
426	P	92.6	Very high	93.4	Very high	20 Å²	20	27.9 Å²	27.9	13%	0.13	14%	0.136	C	C	.	.	H	α-helix	trans	-61.6	-34.8	-170.3	25.2	-33.5	0	0	0	111.7	D196 P197 I428 F429 E430	D196-P426 HydrophobicContact CB-CB 4.21Å; D196-P426 HydrophobicContact CB-CG 4.21Å; D196-P426 VanDerWaalsContact OD1-CD 3.31Å; D196-P426 WeakPolarHBondContact OD1-CD 3.18Å; P197-P426 HydrophobicContact CG-CG 4.09Å; P426-I428 PolarHBondContact O-N 3.09Å; P426-I428 VanDerWaalsContact O-N 3.13Å; P426-F429 PolarHBondContact O-N 2.87Å; P426-E430 WeakPolarHBondContact O-CB 3.45Å; P426-E430 PolarHBondContact O-N 2.93Å
427	E	90.5	Very high	93.3	Very high	98 Å²	98	31.3 Å²	31.3	46%	0.458	15%	0.149	S	C	.	.	H	α-helix	trans	-59.4	-22.7	175.3	69.1	-67.4	150.6	0	0	114	Q425 N431	Q425-E427 WeakPolarHBondContact CA-OE1 3.33Å; Q425-E427 PolarHBondContact O-N 2.83Å; E427-N431 PolarHBondContact O-ND2 2.85Å
428	I	92.3	Very high	93.2	Very high	36 Å²	36	30.2 Å²	30.2	19%	0.185	14%	0.144	C	C	.	.	H	α-helix	trans	-97.9	-44.2	171.7	-74	165.6	0	0	0	110.7	Q425 P426 E430 N431 I432 V466 I468	Q425-I428 HydrophobicContact CB-CB 4.41Å; Q425-I428 PolarHBondContact O-N 2.82Å; P426-I428 PolarHBondContact O-N 3.09Å; P426-I428 VanDerWaalsContact O-N 3.13Å; I428-E430 VanDerWaalsContact C-N 3.32Å; I428-E430 PolarHBondContact O-N 2.91Å; I428-N431 CarbonylContact O-C 3.53Å; I428-N431 PolarHBondContact O-N 2.94Å; I428-N431 VanDerWaalsContact O-N 3.09Å; I428-I432 WeakPolarHBondContact O-CG1 3.26Å; I428-I432 PolarHBondContact O-N 3.15Å; I428-V466 HydrophobicContact CG2-CB 4.17Å; I428-V466 HydrophobicContact CG2-CG1 3.7Å; I428-I468 HydrophobicContact CG2-CD1 4.09Å; I428-I468 HydrophobicContact CG2-CG1 4.18Å
429	F	94	Very high	93.1	Very high	15 Å²	15	30.2 Å²	30.2	7%	0.066	14%	0.144	C	C	.	.	H	α-helix	trans	-63.4	-33.4	-175.5	-174.6	-94.8	0	0	0	113.6	V387 R403 L420 Q425 P426 I432	V387-F429 HydrophobicContact CG1-CE1 4.36Å; V387-F429 HydrophobicContact CG2-CE1 3.87Å; V387-F429 HydrophobicContact CG2-CZ 4.35Å; R403-F429 HydrophobicContact CG-CE2 4.11Å; R403-F429 HydrophobicContact CG-CZ 4.15Å; R403-F429 PolarHBondContact NH2-O 2.82Å; L420-F429 HydrophobicContact CD2-CD2 4Å; L420-F429 HydrophobicContact CD2-CE2 4.07Å; L420-F429 HydrophobicContact CG-CE2 4.39Å; L420-F429 WeakPolarHBondContact O-CE2 3.44Å; Q425-F429 PolarHBondContact O-N 2.8Å; P426-F429 PolarHBondContact O-N 2.87Å; F429-I432 HydrophobicContact CD2-CD1 4.29Å
430	E	92.1	Very high	93	Very high	94 Å²	94	28.7 Å²	28.7	44%	0.439	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-22.3	175.4	-64.2	-177.6	164	0	0	112.5	P426 I428 N723	P426-E430 WeakPolarHBondContact O-CB 3.45Å; P426-E430 PolarHBondContact O-N 2.93Å; I428-E430 VanDerWaalsContact C-N 3.32Å; I428-E430 PolarHBondContact O-N 2.91Å; E430-N723 PolarHBondContact O-ND2 2.86Å
431	N	92.1	Very high	92.7	Very high	96 Å²	96	29.4 Å²	29.4	51%	0.513	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	26.7	-177.7	-68.1	-67.4	0	0	0	113.5	E427 I428 Y433 I468	E427-N431 PolarHBondContact O-ND2 2.85Å; I428-N431 CarbonylContact O-C 3.53Å; I428-N431 PolarHBondContact O-N 2.94Å; I428-N431 VanDerWaalsContact O-N 3.09Å; N431-Y433 VanDerWaalsContact O-CD1 3.27Å; N431-Y433 WeakPolarHBondContact O-CD1 3Å; N431-I468 VanDerWaalsContact O-CD1 3.3Å; N431-I468 WeakPolarHBondContact O-CD1 3.43Å
432	I	93.7	Very high	92.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.138	C	C	.	.			trans	-78	129.4	172.3	-53.6	-176.1	0	0	0	109.4	L381 V384 I405 L420 I428 F429 F438 I468 S719	L381-I432 HydrophobicContact CD1-CG2 3.55Å; V384-I432 HydrophobicContact CB-CG2 4.47Å; V384-I432 HydrophobicContact CG1-CB 4.26Å; V384-I432 HydrophobicContact CG1-CG2 3.75Å; V384-I432 HydrophobicContact CG2-CG2 3.78Å; I405-I432 HydrophobicContact CG2-CG2 4.48Å; L420-I432 HydrophobicContact CD2-CD1 3.26Å; I428-I432 WeakPolarHBondContact O-CG1 3.26Å; I428-I432 PolarHBondContact O-N 3.15Å; F429-I432 HydrophobicContact CD2-CD1 4.29Å; I432-F438 HydrophobicContact CD1-CE2 4.19Å; I432-I468 HydrophobicContact CG1-CD1 4.38Å; I432-S719 PolarHBondContact O-OG 3.39Å
433	Y	93	Very high	92.6	Very high	57 Å²	57	28.7 Å²	28.7	22%	0.224	14%	0.138	C	C	.	.			trans	-146.3	150.2	175.1	60.2	-85.9	0	0	0	111.2	L381 N431 A436 F710 F712	L381-Y433 WeakPolarHBondContact CD1-O 3.33Å; N431-Y433 VanDerWaalsContact O-CD1 3.27Å; N431-Y433 WeakPolarHBondContact O-CD1 3Å; Y433-A436 HydrophobicContact CD2-CB 4.28Å; Y433-A436 HydrophobicContact CE1-CB 4.34Å; Y433-A436 HydrophobicContact CE2-CB 3.86Å; Y433-A436 WeakPolarHBondContact O-CB 3.46Å; Y433-A436 PolarHBondContact O-N 3.11Å; Y433-F710 HydrophobicContact CD2-CE1 4.49Å; Y433-F710 AromaticContact CD2-CZ 3.89Å; Y433-F710 HydrophobicContact CD2-CZ 3.89Å; Y433-F710 HydrophobicContact CG-CZ 4.35Å; Y433-F712 HydrophobicContact CE2-CD2 4.32Å; Y433-F712 AromaticContact CE2-CE2 3.85Å; Y433-F712 HydrophobicContact CE2-CE2 3.85Å
434	P	91.8	Very high	92.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	159	172.9	-23.2	33.4	0	0	0	112.9	L381 V384 A436 M501 V502 I503 F710	L381-P434 CarbonylContact O-C 3.57Å; L381-P434 WeakPolarHBondContact O-CA 3.12Å; V384-P434 HydrophobicContact CB-CG 4.21Å; V384-P434 HydrophobicContact CG2-CG 3.93Å; P434-A436 PolarHBondContact O-N 3.19Å; P434-M501 HydrophobicContact CB-CB 4.05Å; P434-M501 HydrophobicContact CB-SD 4.37Å; P434-V502 VanDerWaalsContact CG-O 3.24Å; P434-V502 WeakPolarHBondContact CG-O 3.16Å; P434-I503 HydrophobicContact CG-CB 4.19Å; P434-F710 HydrophobicContact CB-CB 4.3Å; P434-F710 HydrophobicContact CB-CD1 3.85Å; P434-F710 HydrophobicContact CB-CE1 4.26Å; P434-F710 HydrophobicContact CB-CG 3.98Å; P434-F710 HydrophobicContact CG-CB 4.07Å; P434-F710 HydrophobicContact CG-CD1 4.24Å; P434-F710 HydrophobicContact CG-CD2 4.02Å; P434-F710 HydrophobicContact CG-CG 3.85Å; P434-F710 VanDerWaalsContact O-CE1 3.26Å; P434-F710 WeakPolarHBondContact O-CE1 3.35Å
435	M	88.8	Confident	92.8	Very high	36 Å²	36	31.1 Å²	31.1	18%	0.177	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	-5.1	-170.8	-50.8	164.2	41.1	0	0	116.1	L380 L381 Q498 M501 F710 F712	L380-M435 VanDerWaalsContact CD1-O 3.28Å; L380-M435 WeakPolarHBondContact CD1-O 3.1Å; L381-M435 PolarHBondContact O-N 3.27Å; M435-Q498 HydrophobicContact CE-CG 3.97Å; M435-Q498 VanDerWaalsContact CE-OE1 3.3Å; M435-Q498 HydrophobicContact CG-CG 4.29Å; M435-Q498 HydrophobicContact SD-CG 3.74Å; M435-M501 HydrophobicContact CG-CE 4.1Å; M435-M501 HydrophobicContact CG-CG 3.65Å; M435-M501 HydrophobicContact CG-SD 3.87Å; M435-M501 HydrophobicContact SD-CG 4.29Å; M435-F710 HydrophobicContact CG-CD1 4.37Å; M435-F710 HydrophobicContact CG-CE1 4.26Å; M435-F710 HydrophobicContact SD-CD1 3.93Å; M435-F710 HydrophobicContact SD-CE1 3.78Å; M435-F712 HydrophobicContact CE-CB 3.9Å; M435-F712 HydrophobicContact CE-CD2 3.79Å; M435-F712 HydrophobicContact CE-CG 3.96Å; M435-F712 HydrophobicContact SD-CB 4.07Å; M435-F712 HydrophobicContact SD-CD2 4.4Å
436	A	89.9	Confident	92.8	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.033	15%	0.146	C	C	.	.			trans	-75.7	143.9	172.1	0	0	0	0	0	111.7	L381 Y433 P434 I468	L381-A436 HydrophobicContact CD1-CB 4.32Å; L381-A436 PolarHBondContact N-O 3.21Å; Y433-A436 HydrophobicContact CD2-CB 4.28Å; Y433-A436 HydrophobicContact CE1-CB 4.34Å; Y433-A436 HydrophobicContact CE2-CB 3.86Å; Y433-A436 WeakPolarHBondContact O-CB 3.46Å; Y433-A436 PolarHBondContact O-N 3.11Å; P434-A436 PolarHBondContact O-N 3.19Å; A436-I468 HydrophobicContact CB-CG2 4.06Å
437	Y	90.9	Very high	92.6	Very high	71 Å²	71	31.6 Å²	31.6	28%	0.278	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	120.6	168.6	-50.9	-44.4	0	0	0	109.3	L380 I468 T469 F485 I489	L380-Y437 HydrophobicContact CD1-CD1 3.81Å; L380-Y437 HydrophobicContact CD1-CE1 3.87Å; Y437-I468 WeakPolarHBondContact O-CA 3.28Å; Y437-T469 WeakPolarHBondContact CD2-O 3.4Å; Y437-T469 PolarHBondContact O-N 2.93Å; Y437-F485 HydrophobicContact CD1-CZ 4.16Å; Y437-I489 HydrophobicContact CE1-CD1 4.15Å; Y437-I489 HydrophobicContact CE1-CG1 4.2Å; Y437-I489 HydrophobicContact CE1-CG2 3.6Å; Y437-I489 WeakPolarHBondContact OH-CG2 3.5Å
438	F	92.8	Very high	92.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128	-168.7	-170.3	-94.3	0	0	0	110	I378 G379 L381 I405 I407 L420 I432 C440 V466 I468	I378-F438 WeakPolarHBondContact CA-O 3.45Å; G379-F438 PolarHBondContact N-O 2.75Å; G379-F438 PolarHBondContact O-N 2.92Å; L381-F438 HydrophobicContact CD1-CB 4.01Å; L381-F438 HydrophobicContact CD1-CD2 3.71Å; L381-F438 HydrophobicContact CD1-CE2 4.39Å; L381-F438 HydrophobicContact CD1-CG 4.05Å; L381-F438 HydrophobicContact CD2-CB 4.26Å; L381-F438 HydrophobicContact CD2-CD1 4.4Å; L381-F438 HydrophobicContact CD2-CD2 4.39Å; L381-F438 HydrophobicContact CD2-CG 4.14Å; L381-F438 HydrophobicContact CG-CB 3.77Å; L381-F438 HydrophobicContact CG-CD2 4.24Å; L381-F438 HydrophobicContact CG-CG 4.06Å; I405-F438 HydrophobicContact CD1-CD1 4.16Å; I405-F438 HydrophobicContact CD1-CE1 3.4Å; I405-F438 VanDerWaalsContact CD1-CE1 3.4Å; I405-F438 HydrophobicContact CD1-CE2 4.34Å; I405-F438 HydrophobicContact CD1-CZ 3.5Å; I405-F438 VanDerWaalsContact CD1-CZ 3.5Å; I407-F438 HydrophobicContact CD1-CD1 3.61Å; I407-F438 HydrophobicContact CD1-CE1 3.93Å; I407-F438 HydrophobicContact CG1-CD1 4.16Å; L420-F438 HydrophobicContact CD1-CZ 4Å; L420-F438 HydrophobicContact CD2-CZ 3.99Å; I432-F438 HydrophobicContact CD1-CE2 4.19Å; F438-C440 HydrophobicContact CD1-CB 4.36Å; F438-C440 HydrophobicContact CE1-CB 3.75Å; F438-V466 HydrophobicContact CD2-CG1 4.23Å; F438-V466 HydrophobicContact CE1-CG1 4.29Å; F438-V466 HydrophobicContact CE2-CG1 3.33Å; F438-V466 HydrophobicContact CZ-CG1 3.37Å; F438-I468 HydrophobicContact CD2-CG1 4.12Å
439	V	93.7	Very high	91.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.5	172	175.5	0	0	0	0	107.5	F360 V377 I378 T441 F467 Y476	F360-V439 HydrophobicContact CE1-CG1 4.17Å; F360-V439 HydrophobicContact CZ-CG1 4.17Å; V377-V439 WeakPolarHBondContact O-CA 3.48Å; I378-V439 HydrophobicContact CB-CG2 4.08Å; I378-V439 HydrophobicContact CD1-CG2 3.8Å; I378-V439 HydrophobicContact CG1-CG2 3.71Å; V439-T441 HydrophobicContact CG1-CG2 4.5Å; V439-F467 HydrophobicContact CB-CB 4.32Å; V439-F467 HydrophobicContact CB-CD2 4.35Å; V439-F467 HydrophobicContact CG1-CD2 4.17Å; V439-F467 PolarHBondContact N-O 3.13Å; V439-F467 PolarHBondContact O-N 2.94Å; V439-Y476 HydrophobicContact CG1-CE1 4.48Å; V439-Y476 HydrophobicContact CG2-CE2 3.9Å
440	C	94.3	Very high	90.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129.6	171.6	-169.8	0	0	0	0	109.6	V377 F438 L443 G465	V377-C440 HydrophobicContact CG2-CB 4.23Å; V377-C440 PolarHBondContact N-O 2.74Å; V377-C440 PolarHBondContact O-N 3.44Å; F438-C440 HydrophobicContact CD1-CB 4.36Å; F438-C440 HydrophobicContact CE1-CB 3.75Å; C440-L443 HydrophobicContact CB-CD1 4.03Å; C440-L443 HydrophobicContact CB-CG 4.28Å; C440-L443 VanDerWaalsContact SG-CD2 3.57Å; C440-G465 WeakPolarHBondContact CA-O 3.45Å
441	T	92.6	Very high	89.7	Confident	16 Å²	16	34.7 Å²	34.7	10%	0.098	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	161.8	-178.5	59.6	0	0	0	0	111.8	D376 V439 L443 S464 G465 F467	D376-T441 HydrophobicContact CB-CG2 4.26Å; D376-T441 WeakPolarHBondContact OD1-CA 3.33Å; D376-T441 WeakPolarHBondContact OD1-CB 3.37Å; V439-T441 HydrophobicContact CG1-CG2 4.5Å; T441-L443 PolarHBondContact O-N 2.73Å; T441-L443 VanDerWaalsContact O-N 3.17Å; T441-S464 VanDerWaalsContact O-CA 3.23Å; T441-S464 WeakPolarHBondContact O-CA 3.34Å; T441-S464 WeakPolarHBondContact O-CB 3.48Å; T441-S464 PolarHBondContact O-OG 3.14Å; T441-G465 PolarHBondContact N-O 2.87Å; T441-G465 PolarHBondContact OG1-N 2.88Å; T441-G465 VanDerWaalsContact OG1-N 3.15Å; T441-G465 PolarHBondContact OG1-O 2.71Å; T441-F467 HydrophobicContact CG2-CE2 4.34Å
442	Q	92.4	Very high	89	Confident	16 Å²	16	31 Å²	31	8%	0.075	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.7	38.4	174	-52.2	-58.9	-81.9	0	0	113.6	H243 I374 C375 D376 T461 E463 S464	H243-Q442 PolarHBondContact CE1-OE1 3.4Å; H243-Q442 VanDerWaalsContact CE1-OE1 3.23Å; I374-Q442 HydrophobicContact CG2-CB 4.17Å; C375-Q442 PolarHBondContact O-N 3.26Å; D376-Q442 PolarHBondContact OD1-N 2.74Å; D376-Q442 PolarHBondContact OD1-NE2 2.87Å; Q442-T461 WeakPolarHBondContact O-CB 3.04Å; Q442-T461 WeakPolarHBondContact O-CG2 3.5Å; Q442-T461 PolarHBondContact O-OG1 3.23Å; Q442-E463 HydrophobicContact CB-CB 4.35Å; Q442-E463 HydrophobicContact CG-CB 4.35Å; Q442-S464 PolarHBondContact O-OG 3.19Å
443	L	95.9	Very high	88	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	138.7	172.3	-72.4	-178.8	0	0	0	109.9	I374 C375 V377 V418 C440 T441 L458 T460	I374-L443 WeakPolarHBondContact CA-O 3.44Å; C375-L443 PolarHBondContact N-O 3.38Å; C375-L443 PolarHBondContact O-N 2.76Å; V377-L443 HydrophobicContact CG1-CD1 4.3Å; V377-L443 HydrophobicContact CG2-CD1 3.55Å; V418-L443 HydrophobicContact CG1-CD1 3.95Å; V418-L443 HydrophobicContact CG1-CD2 3.96Å; V418-L443 HydrophobicContact CG2-CD1 4.39Å; C440-L443 HydrophobicContact CB-CD1 4.03Å; C440-L443 HydrophobicContact CB-CG 4.28Å; C440-L443 VanDerWaalsContact SG-CD2 3.57Å; T441-L443 PolarHBondContact O-N 2.73Å; T441-L443 VanDerWaalsContact O-N 3.17Å; L443-L458 HydrophobicContact CB-CB 4.17Å; L443-L458 HydrophobicContact CB-CD1 4.25Å; L443-L458 HydrophobicContact CD1-CB 3.97Å; L443-L458 HydrophobicContact CD1-CD1 3.61Å; L443-L458 HydrophobicContact CD1-CG 4.41Å; L443-T460 HydrophobicContact CD2-CG2 3.81Å
444	K	95.6	Very high	87.1	Confident	61 Å²	61	39.2 Å²	39.2	27%	0.265	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.5	175.9	-167.7	-169.7	74.3	146.6	0	110.2	N372 C373 I374 V446 L458 T459 T461	N372-K444 HydrophobicContact CB-CD 4.32Å; N372-K444 HydrophobicContact CB-CG 4.5Å; N372-K444 WeakPolarHBondContact OD1-CD 3.43Å; N372-K444 WeakPolarHBondContact OD1-CE 3.3Å; N372-K444 PolarHBondContact OD1-NZ 2.95Å; C373-K444 WeakPolarHBondContact O-CA 3.27Å; I374-K444 HydrophobicContact CD1-CB 3.84Å; I374-K444 HydrophobicContact CD1-CG 3.89Å; K444-V446 PolarHBondContact O-N 2.83Å; K444-L458 WeakPolarHBondContact O-CA 3.26Å; K444-T459 HydrophobicContact CB-CG2 4.21Å; K444-T459 PolarHBondContact N-O 3.44Å; K444-T459 PolarHBondContact O-N 2.96Å; K444-T461 HydrophobicContact CB-CG2 4.08Å
445	V	95.9	Very high	86.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	126.7	170.6	-177.6	0	0	0	0	109.7	L366 M369 P370 N372 C373 R447 L456 L458	L366-V445 HydrophobicContact CD1-CG2 3.97Å; M369-V445 HydrophobicContact CB-CG2 4.18Å; M369-V445 HydrophobicContact CE-CG2 4.27Å; M369-V445 HydrophobicContact SD-CG2 4.15Å; P370-V445 WeakPolarHBondContact O-CB 3.22Å; P370-V445 WeakPolarHBondContact O-CG1 3.24Å; N372-V445 WeakPolarHBondContact CA-O 3.41Å; N372-V445 PolarHBondContact N-O 2.87Å; C373-V445 HydrophobicContact CB-CG2 4.35Å; C373-V445 PolarHBondContact O-N 3.43Å; V445-R447 HydrophobicContact CG1-CG 4.28Å; V445-L456 HydrophobicContact CG1-CD1 3.95Å; V445-L458 HydrophobicContact CB-CD2 4.33Å; V445-L458 HydrophobicContact CG2-CD2 3.82Å
446	V	93.5	Very high	86.6	Confident	18 Å²	18	39 Å²	39	11%	0.109	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.3	172.6	-172.7	0	0	0	0	109.2	K444 Y457 T459	K444-V446 PolarHBondContact O-N 2.83Å; V446-Y457 HydrophobicContact CB-CD1 4.01Å; V446-Y457 HydrophobicContact CB-CD2 4.28Å; V446-Y457 HydrophobicContact CB-CE1 3.73Å; V446-Y457 HydrophobicContact CB-CE2 4.02Å; V446-Y457 HydrophobicContact CB-CG 4.29Å; V446-Y457 HydrophobicContact CG1-CD1 4.25Å; V446-Y457 HydrophobicContact CG1-CE1 3.52Å; V446-Y457 HydrophobicContact CG1-CE2 4.33Å; V446-Y457 HydrophobicContact CG2-CD2 4.37Å; V446-Y457 HydrophobicContact CG2-CE2 3.95Å; V446-Y457 PolarHBondContact N-O 3.23Å; V446-Y457 PolarHBondContact O-N 3.03Å; V446-T459 HydrophobicContact CG2-CG2 3.54Å
447	R	88.9	Confident	86.7	Confident	45 Å²	45	40.2 Å²	40.2	17%	0.17	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	152.3	173.3	-69.3	176.6	176.5	-97.9	1.5	110.1	L366 D367 M369 E371 V445 L455 L456	L366-R447 PolarHBondContact O-NH2 2.79Å; D367-R447 PolarHBondContact O-NH2 3.15Å; M369-R447 PolarHBondContact O-NE 3.36Å; M369-R447 PolarHBondContact O-NH2 2.93Å; E371-R447 HydrophobicContact CB-CB 4.27Å; E371-R447 HydrophobicContact CG-CB 4.11Å; V445-R447 HydrophobicContact CG1-CG 4.28Å; R447-L455 VanDerWaalsContact CA-O 3.3Å; R447-L455 WeakPolarHBondContact CA-O 3.34Å; R447-L456 HydrophobicContact CG-CD1 3.9Å
448	N	82.3	Confident	87	Confident	51 Å²	51	36.9 Å²	36.9	27%	0.273	18%	0.183	S	C	.	.			trans	-159.9	58.1	168	-166.7	-15.9	0	0	0	110.8	N450 Q451 V452 L455	N448-N450 PolarHBondContact O-N 3.07Å; N448-Q451 PolarHBondContact ND2-OE1 1.88Å; N448-Q451 PolarHBondContact O-N 2.96Å; N448-Q451 VanDerWaalsContact O-N 3.12Å; N448-Q451 WeakPolarHBondContact OD1-CB 3.32Å; N448-Q451 PolarHBondContact OD1-N 2.86Å; N448-Q451 VanDerWaalsContact OD1-N 3.16Å; N448-V452 CarbonylContact O-C 3.57Å; N448-V452 PolarHBondContact O-N 2.81Å; N448-V452 VanDerWaalsContact O-O 3.1Å; N448-L455 HydrophobicContact CB-CD2 3.93Å
449	D	77.4	Confident	87.2	Confident	69 Å²	69	37.6 Å²	37.6	37%	0.369	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-22.9	-178.8	-67.6	-73.5	0	0	0	113.7	V452 K454	D449-V452 WeakPolarHBondContact CA-O 3.46Å; D449-K454 WeakPolarHBondContact OD1-CA 3.37Å; D449-K454 PolarHBondContact OD1-N 3.04Å
450	N	76.1	Confident	87.4	Confident	140 Å²	140	38.4 Å²	38.4	75%	0.749	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-51.7	175	-65.6	-28.9	0	0	0	112.2	N448 K518	N448-N450 PolarHBondContact O-N 3.07Å; N450-K518 WeakPolarHBondContact O-CE 3.46Å; N450-K518 PolarHBondContact O-NZ 3.18Å
451	Q	73.1	Confident	87.3	Confident	48 Å²	48	39.9 Å²	39.9	22%	0.224	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-38.4	179.4	-72.4	-179.9	-28.7	0	0	112.2	N448 P513 K518 S521	N448-Q451 PolarHBondContact ND2-OE1 1.88Å; N448-Q451 PolarHBondContact O-N 2.96Å; N448-Q451 VanDerWaalsContact O-N 3.12Å; N448-Q451 WeakPolarHBondContact OD1-CB 3.32Å; N448-Q451 PolarHBondContact OD1-N 2.86Å; N448-Q451 VanDerWaalsContact OD1-N 3.16Å; Q451-P513 HydrophobicContact CB-CG 4.3Å; Q451-P513 VanDerWaalsContact O-CB 3.27Å; Q451-P513 WeakPolarHBondContact O-CB 3.5Å; Q451-K518 WeakPolarHBondContact O-CD 3.39Å; Q451-S521 PolarHBondContact NE2-OG 2.78Å
452	V	76.5	Confident	87.3	Confident	18 Å²	18	41.4 Å²	41.4	11%	0.109	21%	0.209	C	C	.	.	S	Bend	trans	-138.3	103.1	-175.1	-173.8	0	0	0	0	109.2	N448 D449 K454 L455 P511 P513	N448-V452 CarbonylContact O-C 3.57Å; N448-V452 PolarHBondContact O-N 2.81Å; N448-V452 VanDerWaalsContact O-O 3.1Å; D449-V452 WeakPolarHBondContact CA-O 3.46Å; V452-K454 PolarHBondContact O-N 3.15Å; V452-L455 HydrophobicContact CB-CB 3.85Å; V452-L455 HydrophobicContact CB-CD2 4.27Å; V452-L455 HydrophobicContact CB-CG 4.5Å; V452-L455 HydrophobicContact CG1-CB 3.96Å; V452-L455 HydrophobicContact CG1-CD1 4.37Å; V452-L455 VanDerWaalsContact O-CB 3.24Å; V452-L455 WeakPolarHBondContact O-CB 3.4Å; V452-L455 PolarHBondContact O-N 3.01Å; V452-L455 VanDerWaalsContact O-N 3.1Å; V452-P511 HydrophobicContact CG1-CG 4.03Å; V452-P513 HydrophobicContact CG2-CB 4.41Å; V452-P513 HydrophobicContact CG2-CG 3.81Å
453	P	72.1	Confident	87.2	Confident	58 Å²	58	42.1 Å²	42.1	38%	0.377	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	134.5	-176	-26.9	36.3	0	0	0	113	L455 E514	P453-L455 PolarHBondContact O-N 2.95Å; P453-E514 WeakPolarHBondContact CG-OE2 3.42Å
454	K	75.7	Confident	87.1	Confident	172 Å²	172	42.4 Å²	42.4	75%	0.748	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	20.7	-175.8	-48.7	-177.6	-178.4	-177.8	0	114.6	D449 V452 L456	D449-K454 WeakPolarHBondContact OD1-CA 3.37Å; D449-K454 PolarHBondContact OD1-N 3.04Å; V452-K454 PolarHBondContact O-N 3.15Å; K454-L456 PolarHBondContact O-N 3.19Å
455	L	82.6	Confident	86.9	Confident	14 Å²	14	40.1 Å²	40.1	7%	0.073	21%	0.209	C	C	.	.			trans	-66.5	109.6	171	-177.6	74.2	0	0	0	109.3	R447 N448 V452 P453 Y457 Y509 P510 P511	R447-L455 VanDerWaalsContact CA-O 3.3Å; R447-L455 WeakPolarHBondContact CA-O 3.34Å; N448-L455 HydrophobicContact CB-CD2 3.93Å; V452-L455 HydrophobicContact CB-CB 3.85Å; V452-L455 HydrophobicContact CB-CD2 4.27Å; V452-L455 HydrophobicContact CB-CG 4.5Å; V452-L455 HydrophobicContact CG1-CB 3.96Å; V452-L455 HydrophobicContact CG1-CD1 4.37Å; V452-L455 VanDerWaalsContact O-CB 3.24Å; V452-L455 WeakPolarHBondContact O-CB 3.4Å; V452-L455 PolarHBondContact O-N 3.01Å; V452-L455 VanDerWaalsContact O-N 3.1Å; P453-L455 PolarHBondContact O-N 2.95Å; L455-Y457 HydrophobicContact CD1-CD1 4.24Å; L455-Y457 HydrophobicContact CD1-CE1 4.3Å; L455-Y457 HydrophobicContact CD2-CE1 4.25Å; L455-Y457 HydrophobicContact CG-CD1 4.3Å; L455-Y457 HydrophobicContact CG-CE1 4.25Å; L455-Y509 HydrophobicContact CD1-CE1 4.3Å; L455-P510 HydrophobicContact CD1-CB 3.85Å; L455-P511 HydrophobicContact CD1-CG 4.18Å
456	L	86.6	Confident	86.7	Confident	18 Å²	18	40.3 Å²	40.3	9%	0.094	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	118.7	178.7	176.8	58.3	0	0	0	109.8	L366 D367 V445 R447 K454 Y509	L366-L456 HydrophobicContact CD2-CD1 4.31Å; L366-L456 HydrophobicContact CD2-CD2 4.16Å; L366-L456 HydrophobicContact CD2-CG 4.14Å; L366-L456 HydrophobicContact CG-CD1 4.14Å; L366-L456 HydrophobicContact CG-CD2 4.08Å; L366-L456 HydrophobicContact CG-CG 4.33Å; D367-L456 VanDerWaalsContact OD1-CD2 3.29Å; D367-L456 WeakPolarHBondContact OD1-CD2 3.41Å; V445-L456 HydrophobicContact CG1-CD1 3.95Å; R447-L456 HydrophobicContact CG-CD1 3.9Å; K454-L456 PolarHBondContact O-N 3.19Å; L456-Y509 PolarHBondContact O-OH 2.78Å; L456-Y509 VanDerWaalsContact O-OH 3.08Å
457	Y	92.8	Very high	86.5	Confident	30 Å²	30	42.8 Å²	42.8	12%	0.118	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	169.6	170.4	65.9	-78.9	0	0	0	111	W404 I417 E419 V446 L455 Y509	W404-Y457 AromaticContact CH2-CD2 3.8Å; W404-Y457 HydrophobicContact CH2-CD2 3.8Å; W404-Y457 AromaticContact CH2-CE2 3.81Å; W404-Y457 HydrophobicContact CH2-CE2 3.81Å; W404-Y457 HydrophobicContact CH2-CG 4.39Å; W404-Y457 AromaticContact CZ3-CD2 3.76Å; W404-Y457 HydrophobicContact CZ3-CD2 3.76Å; W404-Y457 HydrophobicContact CZ3-CE2 4.25Å; W404-Y457 HydrophobicContact CZ3-CG 4.21Å; I417-Y457 WeakPolarHBondContact O-CA 3.43Å; I417-Y457 WeakPolarHBondContact O-CB 3.4Å; E419-Y457 HydrophobicContact CB-CD2 4.15Å; E419-Y457 HydrophobicContact CB-CE2 4.16Å; V446-Y457 HydrophobicContact CB-CD1 4.01Å; V446-Y457 HydrophobicContact CB-CD2 4.28Å; V446-Y457 HydrophobicContact CB-CE1 3.73Å; V446-Y457 HydrophobicContact CB-CE2 4.02Å; V446-Y457 HydrophobicContact CB-CG 4.29Å; V446-Y457 HydrophobicContact CG1-CD1 4.25Å; V446-Y457 HydrophobicContact CG1-CE1 3.52Å; V446-Y457 HydrophobicContact CG1-CE2 4.33Å; V446-Y457 HydrophobicContact CG2-CD2 4.37Å; V446-Y457 HydrophobicContact CG2-CE2 3.95Å; V446-Y457 PolarHBondContact N-O 3.23Å; V446-Y457 PolarHBondContact O-N 3.03Å; L455-Y457 HydrophobicContact CD1-CD1 4.24Å; L455-Y457 HydrophobicContact CD1-CE1 4.3Å; L455-Y457 HydrophobicContact CD2-CE1 4.25Å; L455-Y457 HydrophobicContact CG-CD1 4.3Å; L455-Y457 HydrophobicContact CG-CE1 4.25Å; Y457-Y509 AromaticContact CD1-CE1 3.65Å; Y457-Y509 HydrophobicContact CD1-CE1 3.65Å; Y457-Y509 HydrophobicContact CE1-CE1 4.27Å; Y457-Y509 AromaticContact CG-CE1 3.79Å; Y457-Y509 HydrophobicContact CG-CE1 3.79Å
458	L	96.9	Very high	86.3	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	144	172.5	-62.3	-177.8	0	0	0	110.1	L366 V377 F416 I417 V418 E419 L443 K444 V445	L366-L458 HydrophobicContact CD1-CD2 3.75Å; L366-L458 HydrophobicContact CD1-CG 4.47Å; L366-L458 HydrophobicContact CD2-CG 4.48Å; V377-L458 HydrophobicContact CG1-CD1 3.56Å; F416-L458 HydrophobicContact CD1-CD1 3.8Å; F416-L458 HydrophobicContact CE1-CD1 4.42Å; I417-L458 PolarHBondContact O-N 3.29Å; V418-L458 CarbonylContact C-O 3.58Å; V418-L458 WeakPolarHBondContact CA-O 3.38Å; V418-L458 HydrophobicContact CB-CB 4.47Å; V418-L458 HydrophobicContact CG1-CB 4.12Å; V418-L458 HydrophobicContact CG2-CB 4.18Å; V418-L458 HydrophobicContact CG2-CD1 4.43Å; E419-L458 PolarHBondContact N-O 3.2Å; L443-L458 HydrophobicContact CB-CB 4.17Å; L443-L458 HydrophobicContact CB-CD1 4.25Å; L443-L458 HydrophobicContact CD1-CB 3.97Å; L443-L458 HydrophobicContact CD1-CD1 3.61Å; L443-L458 HydrophobicContact CD1-CG 4.41Å; K444-L458 WeakPolarHBondContact O-CA 3.26Å; V445-L458 HydrophobicContact CB-CD2 4.33Å; V445-L458 HydrophobicContact CG2-CD2 3.82Å
459	T	97.3	Very high	85.7	Confident	16 Å²	16	41.8 Å²	41.8	10%	0.098	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.8	172.7	-168.3	0	0	0	0	111.1	E419 K444 V446	E419-T459 WeakPolarHBondContact OE2-CB 3.35Å; E419-T459 PolarHBondContact OE2-OG1 3.31Å; K444-T459 HydrophobicContact CB-CG2 4.21Å; K444-T459 PolarHBondContact N-O 3.44Å; K444-T459 PolarHBondContact O-N 2.96Å; V446-T459 HydrophobicContact CG2-CG2 3.54Å
460	T	96.4	Very high	84.7	Confident	16 Å²	16	41.1 Å²	41.1	10%	0.098	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	141.2	-178.8	51.4	0	0	0	0	112.8	E419 L420 F421 T423 L443 S464	E419-T460 PolarHBondContact O-N 2.94Å; L420-T460 HydrophobicContact CD1-CG2 3.75Å; L420-T460 HydrophobicContact CG-CG2 4.46Å; F421-T460 WeakPolarHBondContact CB-OG1 3.4Å; F421-T460 WeakPolarHBondContact CD2-OG1 3.48Å; F421-T460 PolarHBondContact N-OG1 3.36Å; T423-T460 HydrophobicContact CG2-CG2 4.39Å; L443-T460 HydrophobicContact CD2-CG2 3.81Å; T460-S464 WeakPolarHBondContact CA-OG 3.31Å
461	T	93.6	Very high	83.4	Confident	31 Å²	31	38.9 Å²	38.9	19%	0.19	21%	0.212	C	C	.	.			trans	-85.6	-168.4	169.2	57.9	0	0	0	0	111	I374 Q442 K444 E463 S464	I374-T461 HydrophobicContact CD1-CG2 3.91Å; Q442-T461 WeakPolarHBondContact O-CB 3.04Å; Q442-T461 WeakPolarHBondContact O-CG2 3.5Å; Q442-T461 PolarHBondContact O-OG1 3.23Å; K444-T461 HydrophobicContact CB-CG2 4.08Å; T461-E463 VanDerWaalsContact C-N 3.29Å; T461-E463 PolarHBondContact OG1-N 3.41Å; T461-S464 PolarHBondContact N-OG 2.97Å; T461-S464 PolarHBondContact OG1-N 3.38Å; T461-S464 PolarHBondContact OG1-OG 2.74Å
462	N	91.2	Very high	82.3	Confident	48 Å²	48	46 Å²	46	26%	0.257	24%	0.237	S	C	.	.	S	Bend	trans	-77.3	-25.3	168.4	-49	-93.7	0	0	0	110.8	S245 K246 R248	S245-N462 CarbonylContact C-O 3.55Å; S245-N462 VanDerWaalsContact CA-O 3.25Å; S245-N462 WeakPolarHBondContact CA-O 3.36Å; K246-N462 HydrophobicContact CG-CB 4.39Å; K246-N462 PolarHBondContact N-O 2.71Å; R248-N462 PolarHBondContact NH2-ND2 3.1Å; R248-N462 PolarHBondContact NH2-OD1 3.29Å
463	E	91.3	Very high	81.4	Confident	32 Å²	32	49 Å²	49	15%	0.15	27%	0.27	C	S	.	.	S	Bend	trans	-93.2	1.5	-173.2	-63.1	64.5	-145	0	0	112.7	H243 P313 Q442 T461 G465	H243-E463 HydrophobicContact CB-CB 4.5Å; H243-E463 HydrophobicContact CB-CG 4.36Å; P313-E463 HydrophobicContact CB-CG 4.34Å; P313-E463 HydrophobicContact CG-CG 4.38Å; Q442-E463 HydrophobicContact CB-CB 4.35Å; Q442-E463 HydrophobicContact CG-CB 4.35Å; T461-E463 VanDerWaalsContact C-N 3.29Å; T461-E463 PolarHBondContact OG1-N 3.41Å; E463-G465 PolarHBondContact O-N 2.62Å
464	S	93.5	Very high	81.2	Confident	6 Å²	6	49.4 Å²	49.4	4%	0.042	27%	0.267	C	S	.	.			trans	-65.7	121.5	177.2	-74.4	0	0	0	0	112.2	T423 T441 Q442 T460 T461	T423-S464 WeakPolarHBondContact CB-O 3.13Å; T423-S464 VanDerWaalsContact CG2-O 3.3Å; T423-S464 WeakPolarHBondContact CG2-O 3.42Å; T441-S464 VanDerWaalsContact O-CA 3.23Å; T441-S464 WeakPolarHBondContact O-CA 3.34Å; T441-S464 WeakPolarHBondContact O-CB 3.48Å; T441-S464 PolarHBondContact O-OG 3.14Å; Q442-S464 PolarHBondContact O-OG 3.19Å; T460-S464 WeakPolarHBondContact CA-OG 3.31Å; T461-S464 PolarHBondContact N-OG 2.97Å; T461-S464 PolarHBondContact OG1-N 3.38Å; T461-S464 PolarHBondContact OG1-OG 2.74Å
465	G	90.6	Very high	80.7	Confident	13 Å²	13	45 Å²	45	13%	0.134	26%	0.256	C	S	.	.			trans	-101.4	140.6	167.5	0	0	0	0	0	110.9	C440 T441 E463	C440-G465 WeakPolarHBondContact CA-O 3.45Å; T441-G465 PolarHBondContact N-O 2.87Å; T441-G465 PolarHBondContact OG1-N 2.88Å; T441-G465 VanDerWaalsContact OG1-N 3.15Å; T441-G465 PolarHBondContact OG1-O 2.71Å; E463-G465 PolarHBondContact O-N 2.62Å
466	V	92.3	Very high	80.4	Confident	4 Å²	4	45 Å²	45	2%	0.024	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.1	177.3	-172.8	0	0	0	0	109.9	L420 T423 Q425 I428 F438	L420-V466 HydrophobicContact CD1-CG2 3.97Å; T423-V466 HydrophobicContact CG2-CG2 3.97Å; Q425-V466 PolarHBondContact NE2-O 3.44Å; I428-V466 HydrophobicContact CG2-CB 4.17Å; I428-V466 HydrophobicContact CG2-CG1 3.7Å; F438-V466 HydrophobicContact CD2-CG1 4.23Å; F438-V466 HydrophobicContact CE1-CG1 4.29Å; F438-V466 HydrophobicContact CE2-CG1 3.33Å; F438-V466 HydrophobicContact CZ-CG1 3.37Å
467	F	89.2	Confident	79.8	Confident	70 Å²	70	46 Å²	46	31%	0.307	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	119.4	177.2	-46.6	-91	0	0	0	110.8	V439 T441 T469	V439-F467 HydrophobicContact CB-CB 4.32Å; V439-F467 HydrophobicContact CB-CD2 4.35Å; V439-F467 HydrophobicContact CG1-CD2 4.17Å; V439-F467 PolarHBondContact N-O 3.13Å; V439-F467 PolarHBondContact O-N 2.94Å; T441-F467 HydrophobicContact CG2-CE2 4.34Å; F467-T469 HydrophobicContact CB-CG2 3.7Å
468	I	85.7	Confident	79	Confident	51 Å²	51	53.4 Å²	53.4	26%	0.262	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	123.4	161.4	-65	169.6	0	0	0	106.6	I428 N431 I432 A436 Y437 F438	I428-I468 HydrophobicContact CG2-CD1 4.09Å; I428-I468 HydrophobicContact CG2-CG1 4.18Å; N431-I468 VanDerWaalsContact O-CD1 3.3Å; N431-I468 WeakPolarHBondContact O-CD1 3.43Å; I432-I468 HydrophobicContact CG1-CD1 4.38Å; A436-I468 HydrophobicContact CB-CG2 4.06Å; Y437-I468 WeakPolarHBondContact O-CA 3.28Å; F438-I468 HydrophobicContact CD2-CG1 4.12Å
469	T	68.3	Low	78.6	Confident	24 Å²	24	55.7 Å²	55.7	15%	0.147	30%	0.303	C	S	.	.			trans	-127.3	143.3	-164.3	60.4	0	0	0	0	115	Y437 F467	Y437-T469 WeakPolarHBondContact CD2-O 3.4Å; Y437-T469 PolarHBondContact O-N 2.93Å; F467-T469 HydrophobicContact CB-CG2 3.7Å
470	G	56.4	Low	78.3	Confident	54 Å²	54	58 Å²	58	56%	0.557	32%	0.324	S	S	*	.			trans	-81.9	145	147.1	0	0	0	0	0	109.5	R472	G470-R472 PolarHBondContact O-N 3.02Å
471	H	48.9	Very low	78.1	Confident	94 Å²	94	60 Å²	60	44%	0.435	33%	0.331	S	S	.	.	S	Bend	trans	-68.6	26	-171.2	55.8	-102.5	0	0	0	116.2
472	R	51.3	Low	78	Confident	198 Å²	198	58.6 Å²	58.6	75%	0.747	32%	0.322	S	S	*	.	S	Bend	trans	-130.3	137.8	-171.1	-56.8	-170.8	-174.4	-157.3	2.6	112.2	G470 Q474	G470-R472 PolarHBondContact O-N 3.02Å; R472-Q474 PolarHBondContact O-N 3.21Å
473	G	56	Low	77.9	Confident	79 Å²	79	61.2 Å²	61.2	81%	0.814	33%	0.332	S	S	*	.	S	Bend	trans	79.1	6.7	166.8	0	0	0	0	0	117.1
474	Q	68.6	Low	77.9	Confident	68 Å²	68	64.8 Å²	64.8	32%	0.318	35%	0.352	S	S	.	.			trans	-90	140.5	179.3	-63.3	-62.4	-30.6	0	0	111.6	R472 Y476 T477	R472-Q474 PolarHBondContact O-N 3.21Å; Q474-Y476 HydrophobicContact CB-CD1 4.3Å; Q474-Y476 HydrophobicContact CB-CD2 4.17Å; Q474-Y476 HydrophobicContact CB-CE1 3.86Å; Q474-Y476 HydrophobicContact CB-CE2 3.71Å; Q474-Y476 HydrophobicContact CB-CG 4.45Å; Q474-Y476 HydrophobicContact CG-CE1 4.37Å; Q474-Y476 HydrophobicContact CG-CE2 4.22Å; Q474-Y476 PolarHBondContact O-N 3.01Å; Q474-Y476 VanDerWaalsContact O-N 3.15Å; Q474-T477 HydrophobicContact CB-CG2 4.32Å; Q474-T477 PolarHBondContact O-N 3.18Å; Q474-T477 VanDerWaalsContact O-N 3.14Å; Q474-T477 PolarHBondContact O-OG1 2.9Å; Q474-T477 VanDerWaalsContact O-OG1 3.05Å
475	P	66.3	Low	77.8	Confident	79 Å²	79	65 Å²	65	51%	0.513	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-63.1	-27	-172.8	24.9	-34.3	0	0	0	113.5	T477	P475-T477 VanDerWaalsContact C-N 3.34Å; P475-T477 PolarHBondContact O-N 3.36Å
476	Y	74.8	Confident	77.8	Confident	14 Å²	14	66 Å²	66	6%	0.055	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-78.9	-2.9	179	46.2	-98.7	0	0	0	115.3	H358 F360 V439 Q474 Y478 D479 V482	H358-Y476 AromaticContact NE2-CD1 3.69Å; F360-Y476 HydrophobicContact CE2-CG 4.1Å; F360-Y476 HydrophobicContact CZ-CD2 4.21Å; F360-Y476 HydrophobicContact CZ-CG 4.06Å; V439-Y476 HydrophobicContact CG1-CE1 4.48Å; V439-Y476 HydrophobicContact CG2-CE2 3.9Å; Q474-Y476 HydrophobicContact CB-CD1 4.3Å; Q474-Y476 HydrophobicContact CB-CD2 4.17Å; Q474-Y476 HydrophobicContact CB-CE1 3.86Å; Q474-Y476 HydrophobicContact CB-CE2 3.71Å; Q474-Y476 HydrophobicContact CB-CG 4.45Å; Q474-Y476 HydrophobicContact CG-CE1 4.37Å; Q474-Y476 HydrophobicContact CG-CE2 4.22Å; Q474-Y476 PolarHBondContact O-N 3.01Å; Q474-Y476 VanDerWaalsContact O-N 3.15Å; Y476-Y478 PolarHBondContact O-N 3.28Å; Y476-D479 WeakPolarHBondContact O-CB 3.33Å; Y476-D479 PolarHBondContact O-N 3.48Å; Y476-V482 HydrophobicContact CD2-CG1 4.34Å; Y476-V482 HydrophobicContact CD2-CG2 4.34Å
477	T	73.8	Confident	77.6	Confident	38 Å²	38	72.1 Å²	72.1	23%	0.233	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-64.7	-8	178.1	56.7	0	0	0	0	114.3	Q474 P475	Q474-T477 HydrophobicContact CB-CG2 4.32Å; Q474-T477 PolarHBondContact O-N 3.18Å; Q474-T477 VanDerWaalsContact O-N 3.14Å; Q474-T477 PolarHBondContact O-OG1 2.9Å; Q474-T477 VanDerWaalsContact O-OG1 3.05Å; P475-T477 VanDerWaalsContact C-N 3.34Å; P475-T477 PolarHBondContact O-N 3.36Å
478	Y	77.4	Confident	77.6	Confident	186 Å²	186	71.6 Å²	71.6	73%	0.729	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-86.5	-14.1	173.1	-62.1	-76.5	0	0	0	114	Y476 K483	Y476-Y478 PolarHBondContact O-N 3.28Å; Y478-K483 VanDerWaalsContact O-CE 3.3Å; Y478-K483 WeakPolarHBondContact O-CE 3.39Å; Y478-K483 PolarHBondContact O-NZ 3.34Å
479	D	87.9	Confident	77.7	Confident	49 Å²	49	69.9 Å²	69.9	26%	0.262	37%	0.369	S	S	.	.	S	Bend	trans	-65.6	145	178.1	177.7	-85.7	0	0	0	112.1	F360 Y476 K481 V482 K483	F360-D479 HydrophobicContact CD2-CB 4.31Å; Y476-D479 WeakPolarHBondContact O-CB 3.33Å; Y476-D479 PolarHBondContact O-N 3.48Å; D479-K481 WeakPolarHBondContact OD1-CA 3.29Å; D479-K481 WeakPolarHBondContact OD1-CB 3.44Å; D479-K481 PolarHBondContact OD1-N 2.97Å; D479-V482 HydrophobicContact CB-CB 4Å; D479-V482 HydrophobicContact CB-CG2 3.84Å; D479-V482 PolarHBondContact OD1-N 3.24Å; D479-K483 WeakPolarHBondContact O-CB 3.3Å; D479-K483 WeakPolarHBondContact O-CD 3.38Å; D479-K483 VanDerWaalsContact O-CG 3.24Å; D479-K483 WeakPolarHBondContact O-CG 3.27Å; D479-K483 PolarHBondContact O-N 3.42Å
480	A	90.3	Very high	78.5	Confident	63 Å²	63	76.6 Å²	76.6	52%	0.521	39%	0.392	S	S	.	.	H	α-helix	trans	-70.1	-39.2	-175.7	0	0	0	0	0	113.2	K483 N484	A480-K483 PolarHBondContact O-N 2.98Å; A480-N484 PolarHBondContact O-N 3.21Å; A480-N484 PolarHBondContact O-OD1 2.81Å
481	K	92.7	Very high	79.6	Confident	59 Å²	59	78.4 Å²	78.4	26%	0.257	39%	0.392	S	S	.	.	H	α-helix	trans	-72.1	-40.4	179.4	-60	172.6	-177.3	-173	0	110.1	F360 T362 E365 D479 K483 N484 F485	F360-K481 HydrophobicContact CB-CB 4.29Å; F360-K481 HydrophobicContact CB-CD 4.11Å; F360-K481 WeakPolarHBondContact O-CD 3.49Å; F360-K481 WeakPolarHBondContact O-CE 3.48Å; F360-K481 PolarHBondContact O-NZ 3.36Å; T362-K481 HydrophobicContact CG2-CB 4.23Å; T362-K481 HydrophobicContact CG2-CD 4Å; T362-K481 HydrophobicContact CG2-CG 4.02Å; E365-K481 WeakPolarHBondContact OE1-CE 3.41Å; E365-K481 IonicContact OE1-NZ 2.74Å; E365-K481 PolarHBondContact OE1-NZ 2.66Å; E365-K481 WeakPolarHBondContact OE2-CE 3.25Å; E365-K481 IonicContact OE2-NZ 3.63Å; E365-K481 PolarHBondContact OE2-NZ 2.98Å; D479-K481 WeakPolarHBondContact OD1-CA 3.29Å; D479-K481 WeakPolarHBondContact OD1-CB 3.44Å; D479-K481 PolarHBondContact OD1-N 2.97Å; K481-K483 VanDerWaalsContact C-N 3.35Å; K481-K483 PolarHBondContact O-N 3.13Å; K481-N484 PolarHBondContact O-N 2.89Å; K481-F485 PolarHBondContact O-N 2.87Å
482	V	90.8	Very high	80.8	Confident	1 Å²	1	77.9 Å²	77.9	1%	0.006	39%	0.389	C	S	.	.	H	α-helix	trans	-58.2	-44.3	171.1	173.8	0	0	0	0	111.6	F360 I378 Y476 D479 F485 I486	F360-V482 HydrophobicContact CD1-CG2 4.28Å; F360-V482 HydrophobicContact CD2-CG2 3.71Å; F360-V482 HydrophobicContact CE1-CG2 4.22Å; F360-V482 HydrophobicContact CE2-CG2 3.65Å; F360-V482 HydrophobicContact CG-CG2 4.05Å; F360-V482 HydrophobicContact CZ-CG2 3.91Å; I378-V482 HydrophobicContact CD1-CG1 3.99Å; I378-V482 HydrophobicContact CD1-CG2 4.22Å; I378-V482 HydrophobicContact CG2-CG2 4.19Å; Y476-V482 HydrophobicContact CD2-CG1 4.34Å; Y476-V482 HydrophobicContact CD2-CG2 4.34Å; D479-V482 HydrophobicContact CB-CB 4Å; D479-V482 HydrophobicContact CB-CG2 3.84Å; D479-V482 PolarHBondContact OD1-N 3.24Å; V482-F485 PolarHBondContact O-N 2.94Å; V482-I486 HydrophobicContact CG1-CD1 3.82Å; V482-I486 VanDerWaalsContact O-CG1 3.27Å; V482-I486 WeakPolarHBondContact O-CG1 3.44Å; V482-I486 PolarHBondContact O-N 3.26Å
483	K	89.9	Confident	81.3	Confident	104 Å²	104	72.1 Å²	72.1	45%	0.452	38%	0.379	S	S	.	.	H	α-helix	trans	-61.9	-45.5	175.2	-77	162.7	177.1	161.9	0	112.5	Y478 D479 A480 K481 F485 I486 Q487	Y478-K483 VanDerWaalsContact O-CE 3.3Å; Y478-K483 WeakPolarHBondContact O-CE 3.39Å; Y478-K483 PolarHBondContact O-NZ 3.34Å; D479-K483 WeakPolarHBondContact O-CB 3.3Å; D479-K483 WeakPolarHBondContact O-CD 3.38Å; D479-K483 VanDerWaalsContact O-CG 3.24Å; D479-K483 WeakPolarHBondContact O-CG 3.27Å; D479-K483 PolarHBondContact O-N 3.42Å; A480-K483 PolarHBondContact O-N 2.98Å; K481-K483 VanDerWaalsContact C-N 3.35Å; K481-K483 PolarHBondContact O-N 3.13Å; K483-F485 PolarHBondContact O-N 3.35Å; K483-I486 PolarHBondContact O-N 2.99Å; K483-Q487 PolarHBondContact O-N 3.46Å
484	N	92.1	Very high	81.2	Confident	106 Å²	106	75.4 Å²	75.4	57%	0.567	38%	0.378	S	S	*	.	H	α-helix	trans	-61.3	-44.1	179	-67.4	-7.2	0	0	0	111.4	A480 K481 Q487 W488	A480-N484 PolarHBondContact O-N 3.21Å; A480-N484 PolarHBondContact O-OD1 2.81Å; K481-N484 PolarHBondContact O-N 2.89Å; N484-Q487 WeakPolarHBondContact O-CB 3.39Å; N484-Q487 PolarHBondContact O-N 3.31Å; N484-W488 PolarHBondContact O-N 3.35Å
485	F	91.5	Very high	80.5	Confident	10 Å²	10	75.1 Å²	75.1	4%	0.044	38%	0.383	C	S	.	.	H	α-helix	trans	-59.6	-46.4	173	167.8	-106.7	0	0	0	112.5	I378 G379 L380 D409 Y437 K481 V482 K483 Q487 W488 I489	I378-F485 HydrophobicContact CD1-CD1 3.64Å; I378-F485 HydrophobicContact CD1-CE1 3.97Å; I378-F485 HydrophobicContact CG1-CD1 3.64Å; I378-F485 HydrophobicContact CG1-CE1 3.77Å; I378-F485 HydrophobicContact CG1-CG 4.37Å; I378-F485 HydrophobicContact CG2-CB 4.44Å; I378-F485 HydrophobicContact CG2-CD1 4.47Å; G379-F485 VanDerWaalsContact CA-CZ 3.46Å; L380-F485 HydrophobicContact CB-CE2 4.5Å; D409-F485 HydrophobicContact CB-CD2 4.37Å; Y437-F485 HydrophobicContact CD1-CZ 4.16Å; K481-F485 PolarHBondContact O-N 2.87Å; V482-F485 PolarHBondContact O-N 2.94Å; K483-F485 PolarHBondContact O-N 3.35Å; F485-Q487 PolarHBondContact O-N 3.33Å; F485-W488 AromaticContact CD2-CE3 3.92Å; F485-W488 HydrophobicContact CD2-CE3 3.92Å; F485-W488 HydrophobicContact CD2-CZ3 4.3Å; F485-W488 AromaticContact CE2-CE3 3.93Å; F485-W488 HydrophobicContact CE2-CE3 3.93Å; F485-W488 AromaticContact CE2-CZ3 3.94Å; F485-W488 HydrophobicContact CE2-CZ3 3.94Å; F485-W488 PolarHBondContact O-N 3.46Å; F485-I489 HydrophobicContact CD2-CG1 4Å; F485-I489 HydrophobicContact CE1-CG1 4.03Å; F485-I489 HydrophobicContact CE2-CD1 3.66Å; F485-I489 HydrophobicContact CE2-CG1 3.37Å; F485-I489 HydrophobicContact CZ-CD1 3.83Å; F485-I489 HydrophobicContact CZ-CG1 3.4Å; F485-I489 VanDerWaalsContact CZ-CG1 3.4Å; F485-I489 WeakPolarHBondContact O-CG1 3.46Å; F485-I489 PolarHBondContact O-N 3.38Å
486	I	89.1	Confident	79.8	Confident	36 Å²	36	74 Å²	74	19%	0.185	39%	0.386	C	S	.	.	H	α-helix	trans	-61.6	-33.9	177.5	-70.1	166.8	0	0	0	111.4	V482 K483 R490	V482-I486 HydrophobicContact CG1-CD1 3.82Å; V482-I486 VanDerWaalsContact O-CG1 3.27Å; V482-I486 WeakPolarHBondContact O-CG1 3.44Å; V482-I486 PolarHBondContact O-N 3.26Å; K483-I486 PolarHBondContact O-N 2.99Å; I486-R490 VanDerWaalsContact O-CG 3.32Å; I486-R490 WeakPolarHBondContact O-CG 3.29Å; I486-R490 PolarHBondContact O-N 2.78Å
487	Q	88.9	Confident	78.6	Confident	131 Å²	131	79.3 Å²	79.3	61%	0.612	41%	0.411	S	S	*	.	H	α-helix	trans	-69.6	-46.3	174	-177.8	171	-22.5	0	0	111.8	K483 N484 F485 I489 R490 T491	K483-Q487 PolarHBondContact O-N 3.46Å; N484-Q487 WeakPolarHBondContact O-CB 3.39Å; N484-Q487 PolarHBondContact O-N 3.31Å; F485-Q487 PolarHBondContact O-N 3.33Å; Q487-I489 PolarHBondContact O-N 2.87Å; Q487-R490 WeakPolarHBondContact O-CB 3.23Å; Q487-R490 PolarHBondContact O-N 3.39Å; Q487-T491 PolarHBondContact O-N 3.32Å; Q487-T491 VanDerWaalsContact O-N 3.15Å; Q487-T491 PolarHBondContact O-OG1 2.84Å
488	W	89.7	Confident	77.9	Confident	60 Å²	60	83.1 Å²	83.1	23%	0.227	43%	0.427	C	S	.	.	H	α-helix	trans	-57.7	-45.4	176.6	174.8	75.6	0	0	0	112.5	A408 G410 N484 F485 R490 T491 K492	A408-W488 HydrophobicContact CB-CH2 4.23Å; G410-W488 VanDerWaalsContact CA-CZ2 3.5Å; N484-W488 PolarHBondContact O-N 3.35Å; F485-W488 AromaticContact CD2-CE3 3.92Å; F485-W488 HydrophobicContact CD2-CE3 3.92Å; F485-W488 HydrophobicContact CD2-CZ3 4.3Å; F485-W488 AromaticContact CE2-CE3 3.93Å; F485-W488 HydrophobicContact CE2-CE3 3.93Å; F485-W488 AromaticContact CE2-CZ3 3.94Å; F485-W488 HydrophobicContact CE2-CZ3 3.94Å; F485-W488 PolarHBondContact O-N 3.46Å; W488-R490 VanDerWaalsContact C-N 3.32Å; W488-R490 PolarHBondContact O-N 2.92Å; W488-T491 WeakPolarHBondContact CA-OG1 3.5Å; W488-T491 PolarHBondContact O-N 3.42Å; W488-T491 PolarHBondContact O-OG1 2.79Å; W488-K492 HydrophobicContact CH2-CD 4.31Å; W488-K492 HydrophobicContact CZ2-CD 3.74Å; W488-K492 PolarHBondContact O-N 2.94Å
489	I	86.5	Confident	77	Confident	15 Å²	15	82 Å²	82	8%	0.077	43%	0.426	C	S	.	.	H	α-helix	trans	-60.1	-39.5	176.7	-73.4	-61.7	0	0	0	112.4	L380 Y437 F485 Q487 K492 S493	L380-I489 HydrophobicContact CB-CD1 4.1Å; L380-I489 HydrophobicContact CD1-CD1 4.3Å; L380-I489 HydrophobicContact CD2-CD1 4.18Å; L380-I489 HydrophobicContact CG-CD1 4.45Å; Y437-I489 HydrophobicContact CE1-CD1 4.15Å; Y437-I489 HydrophobicContact CE1-CG1 4.2Å; Y437-I489 HydrophobicContact CE1-CG2 3.6Å; Y437-I489 WeakPolarHBondContact OH-CG2 3.5Å; F485-I489 HydrophobicContact CD2-CG1 4Å; F485-I489 HydrophobicContact CE1-CG1 4.03Å; F485-I489 HydrophobicContact CE2-CD1 3.66Å; F485-I489 HydrophobicContact CE2-CG1 3.37Å; F485-I489 HydrophobicContact CZ-CD1 3.83Å; F485-I489 HydrophobicContact CZ-CG1 3.4Å; F485-I489 VanDerWaalsContact CZ-CG1 3.4Å; F485-I489 WeakPolarHBondContact O-CG1 3.46Å; F485-I489 PolarHBondContact O-N 3.38Å; Q487-I489 PolarHBondContact O-N 2.87Å; I489-K492 PolarHBondContact O-N 2.91Å; I489-S493 PolarHBondContact O-N 3.41Å; I489-S493 PolarHBondContact O-OG 2.91Å
490	R	84.9	Confident	76.1	Confident	165 Å²	165	82.9 Å²	82.9	62%	0.623	43%	0.43	S	S	*	.	H	α-helix	trans	-61.5	-52.9	175.8	-71.9	168.1	-177.4	-170.1	0.7	110.1	I486 Q487 W488 K492 S493	I486-R490 VanDerWaalsContact O-CG 3.32Å; I486-R490 WeakPolarHBondContact O-CG 3.29Å; I486-R490 PolarHBondContact O-N 2.78Å; Q487-R490 WeakPolarHBondContact O-CB 3.23Å; Q487-R490 PolarHBondContact O-N 3.39Å; W488-R490 VanDerWaalsContact C-N 3.32Å; W488-R490 PolarHBondContact O-N 2.92Å; R490-K492 PolarHBondContact O-N 3Å; R490-S493 WeakPolarHBondContact O-CB 3.35Å; R490-S493 PolarHBondContact O-N 2.62Å
491	T	80.9	Confident	75.9	Confident	91 Å²	91	80.8 Å²	80.8	56%	0.558	41%	0.41	S	S	*	.	H	α-helix	trans	-61.6	-28.3	179.1	47.8	0	0	0	0	114.1	Q487 W488	Q487-T491 PolarHBondContact O-N 3.32Å; Q487-T491 VanDerWaalsContact O-N 3.15Å; Q487-T491 PolarHBondContact O-OG1 2.84Å; W488-T491 WeakPolarHBondContact CA-OG1 3.5Å; W488-T491 PolarHBondContact O-N 3.42Å; W488-T491 PolarHBondContact O-OG1 2.79Å
492	K	74.3	Confident	75.7	Confident	83 Å²	83	78.3 Å²	78.3	36%	0.361	40%	0.4	S	S	.	.	H	α-helix	trans	-86.5	-16	177	-155.8	167.4	-169.3	171	0	113.9	W488 I489 R490 D494 S495	W488-K492 HydrophobicContact CH2-CD 4.31Å; W488-K492 HydrophobicContact CZ2-CD 3.74Å; W488-K492 PolarHBondContact O-N 2.94Å; I489-K492 PolarHBondContact O-N 2.91Å; R490-K492 PolarHBondContact O-N 3Å; K492-D494 VanDerWaalsContact C-N 3.26Å; K492-S495 PolarHBondContact O-N 3.09Å; K492-S495 PolarHBondContact O-OG 2.71Å
493	S	61	Low	75.7	Confident	78 Å²	78	78.3 Å²	78.3	55%	0.545	40%	0.4	S	S	.	.	H	α-helix	trans	-68	-31.8	172.8	-59.9	0	0	0	0	111.3	I489 R490	I489-S493 PolarHBondContact O-N 3.41Å; I489-S493 PolarHBondContact O-OG 2.91Å; R490-S493 WeakPolarHBondContact O-CB 3.35Å; R490-S493 PolarHBondContact O-N 2.62Å
494	D	53.9	Low	75.7	Confident	147 Å²	147	73.4 Å²	73.4	79%	0.786	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-14.9	-179.4	-56.5	-35.3	0	0	0	113.5	K492	K492-D494 VanDerWaalsContact C-N 3.26Å
495	S	54.1	Low	75.4	Confident	63 Å²	63	68.4 Å²	68.4	44%	0.441	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-14.5	-177.6	74.8	0	0	0	0	115.1	K492 E497	K492-S495 PolarHBondContact O-N 3.09Å; K492-S495 PolarHBondContact O-OG 2.71Å; S495-E497 VanDerWaalsContact C-N 3.27Å; S495-E497 PolarHBondContact O-N 3.04Å; S495-E497 WeakPolarHBondContact OG-CG 3.5Å; S495-E497 PolarHBondContact OG-OE2 3.42Å
496	G	51	Low	75.2	Confident	55 Å²	55	68.2 Å²	68.2	57%	0.567	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	13.1	179.1	0	0	0	0	0	115.7	Q498	G496-Q498 VanDerWaalsContact C-N 3.26Å; G496-Q498 PolarHBondContact O-N 2.98Å
497	E	51	Low	75	Confident	125 Å²	125	66.8 Å²	66.8	58%	0.584	34%	0.343	S	S	*	.			trans	-81	58.4	-173.3	-66.9	-179	129.9	0	0	114.3	S495	S495-E497 VanDerWaalsContact C-N 3.27Å; S495-E497 PolarHBondContact O-N 3.04Å; S495-E497 WeakPolarHBondContact OG-CG 3.5Å; S495-E497 PolarHBondContact OG-OE2 3.42Å
498	Q	57.7	Low	74.7	Confident	119 Å²	119	61.5 Å²	61.5	56%	0.556	32%	0.32	S	S	*	.			trans	-93.6	6.7	-176.5	-145.2	157.9	80.4	0	0	113.8	M435 G496 N500	M435-Q498 HydrophobicContact CE-CG 3.97Å; M435-Q498 VanDerWaalsContact CE-OE1 3.3Å; M435-Q498 HydrophobicContact CG-CG 4.29Å; M435-Q498 HydrophobicContact SD-CG 3.74Å; G496-Q498 VanDerWaalsContact C-N 3.26Å; G496-Q498 PolarHBondContact O-N 2.98Å; Q498-N500 PolarHBondContact O-N 3.28Å
499	K	58.4	Low	74.3	Confident	163 Å²	163	59.3 Å²	59.3	71%	0.709	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-7.9	-160.3	-61.3	176.4	-176.1	169.8	0	116.5	K709	K499-K709 PolarHBondContact O-NZ 3.41Å
500	N	69.9	Low	74.1	Confident	67 Å²	67	60.5 Å²	60.5	36%	0.358	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	15.4	-169.7	-64.4	-7.8	0	0	0	113.7	Q498	Q498-N500 PolarHBondContact O-N 3.28Å
501	M	85.2	Confident	73.9	Confident	18 Å²	18	53.7 Å²	53.7	9%	0.089	30%	0.298	C	S	.	.			trans	-74.6	132.9	176.9	-58	-65.6	165.9	0	0	110.6	L380 V382 P434 M435 K709 F710	L380-M501 HydrophobicContact CD2-CE 3.8Å; V382-M501 HydrophobicContact CB-SD 4.27Å; V382-M501 HydrophobicContact CG1-CE 4.33Å; V382-M501 HydrophobicContact CG1-SD 4.15Å; P434-M501 HydrophobicContact CB-CB 4.05Å; P434-M501 HydrophobicContact CB-SD 4.37Å; M435-M501 HydrophobicContact CG-CE 4.1Å; M435-M501 HydrophobicContact CG-CG 3.65Å; M435-M501 HydrophobicContact CG-SD 3.87Å; M435-M501 HydrophobicContact SD-CG 4.29Å; M501-K709 WeakPolarHBondContact O-CA 3.46Å; M501-F710 HydrophobicContact CB-CB 3.93Å; M501-F710 HydrophobicContact CB-CD1 4.23Å; M501-F710 PolarHBondContact O-N 3.25Å
502	V	88.1	Confident	73.9	Confident	8 Å²	8	50 Å²	50	5%	0.048	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143.6	-174.2	-178.9	0	0	0	0	111.5	V382 F383 V384 P434 P707 R708 A745 Y795	V382-V502 PolarHBondContact O-N 2.82Å; F383-V502 VanDerWaalsContact CA-O 3.32Å; F383-V502 WeakPolarHBondContact CA-O 3.06Å; F383-V502 HydrophobicContact CD2-CB 3.97Å; F383-V502 HydrophobicContact CD2-CG1 3.77Å; F383-V502 HydrophobicContact CE2-CG1 4.12Å; V384-V502 PolarHBondContact N-O 3.16Å; P434-V502 VanDerWaalsContact CG-O 3.24Å; P434-V502 WeakPolarHBondContact CG-O 3.16Å; V502-P707 HydrophobicContact CG1-CB 3.81Å; V502-R708 WeakPolarHBondContact CA-O 3.24Å; V502-A745 HydrophobicContact CB-CB 4.34Å; V502-A745 HydrophobicContact CG1-CB 3.62Å; V502-A745 HydrophobicContact CG2-CB 3.74Å; V502-Y795 HydrophobicContact CG1-CD2 4.29Å; V502-Y795 HydrophobicContact CG1-CE2 4.12Å; V502-Y795 HydrophobicContact CG2-CD2 4.47Å
503	I	91.2	Very high	74.3	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.2	175.9	-164.4	171	0	0	0	112.2	V384 P434 P707 R708 F710 L718 Y722	V384-I503 HydrophobicContact CB-CG1 4.34Å; V384-I503 CarbonylContact O-C 3.55Å; V384-I503 WeakPolarHBondContact O-CA 3.33Å; V384-I503 WeakPolarHBondContact O-CG1 3.49Å; P434-I503 HydrophobicContact CG-CB 4.19Å; I503-P707 WeakPolarHBondContact O-CA 3.43Å; I503-R708 PolarHBondContact N-O 3.03Å; I503-R708 PolarHBondContact O-N 2.83Å; I503-F710 HydrophobicContact CB-CB 4.48Å; I503-F710 HydrophobicContact CB-CD2 4.28Å; I503-F710 HydrophobicContact CD1-CD2 4.19Å; I503-F710 HydrophobicContact CD1-CE2 4.42Å; I503-F710 HydrophobicContact CG2-CB 4.29Å; I503-F710 HydrophobicContact CG2-CD2 4.12Å; I503-L718 HydrophobicContact CD1-CB 4.16Å; I503-L718 HydrophobicContact CG2-CB 4.4Å; I503-L718 HydrophobicContact CG2-CD1 4.42Å; I503-Y722 HydrophobicContact CD1-CD2 4.21Å; I503-Y722 HydrophobicContact CG1-CD2 3.82Å; I503-Y722 HydrophobicContact CG1-CE2 4.33Å; I503-Y722 HydrophobicContact CG2-CD2 4.28Å; I503-Y722 HydrophobicContact CG2-CE2 3.95Å
504	G	90.1	Very high	75.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.257	C	S	.	.			trans	74.9	-156.2	169.9	0	0	0	0	0	115.6	F383 V384 Y722	F383-G504 WeakPolarHBondContact CE2-O 3.41Å; V384-G504 PolarHBondContact O-N 2.99Å; G504-Y722 VanDerWaalsContact CA-CD1 3.46Å; G504-Y722 VanDerWaalsContact CA-CE1 3.5Å
505	G	86.7	Confident	76.5	Confident	1 Å²	1	42 Å²	42	1%	0.01	23%	0.228	C	C	.	.	S	Bend	trans	81.8	174.3	179.6	0	0	0	0	0	115.5	R386 E704 S705	R386-G505 WeakPolarHBondContact CD-O 3.38Å; G505-E704 VanDerWaalsContact CA-O 3.29Å; G505-E704 WeakPolarHBondContact CA-O 3.09Å; G505-E704 PolarHBondContact N-O 2.73Å; G505-S705 CarbonylContact C-O 3.6Å; G505-S705 VanDerWaalsContact CA-O 3.24Å; G505-S705 WeakPolarHBondContact CA-O 3.43Å
506	Y	86.6	Confident	77.9	Confident	7 Å²	7	40.3 Å²	40.3	3%	0.027	21%	0.213	C	C	.	.			trans	-74.9	129.7	166.8	164.6	-117	0	0	0	110.2	P508 S705 L769 D832 Y844 H846	Y506-P508 HydrophobicContact CD1-CG 4.32Å; Y506-P508 HydrophobicContact CE1-CB 3.97Å; Y506-P508 HydrophobicContact CE1-CG 3.78Å; Y506-P508 HydrophobicContact CE2-CB 4.31Å; Y506-S705 PolarHBondContact N-O 2.85Å; Y506-L769 HydrophobicContact CD1-CD1 3.67Å; Y506-L769 HydrophobicContact CE1-CD1 4.34Å; Y506-L769 HydrophobicContact CG-CD1 4.49Å; Y506-D832 HydrophobicContact CE2-CB 3.82Å; Y506-D832 WeakPolarHBondContact OH-CB 3.39Å; Y506-D832 PolarHBondContact OH-OD2 2.67Å; Y506-D832 VanDerWaalsContact OH-OD2 3.04Å; Y506-Y844 AromaticContact CD1-CD2 3.54Å; Y506-Y844 HydrophobicContact CD1-CD2 3.54Å; Y506-Y844 HydrophobicContact CD1-CE2 4.01Å; Y506-Y844 AromaticContact CD1-CG 3.9Å; Y506-Y844 HydrophobicContact CD1-CG 3.9Å; Y506-Y844 AromaticContact CD2-CD2 3.54Å; Y506-Y844 HydrophobicContact CD2-CD2 3.54Å; Y506-Y844 HydrophobicContact CD2-CE2 4.09Å; Y506-Y844 HydrophobicContact CD2-CG 4.48Å; Y506-Y844 AromaticContact CE1-CD2 3.7Å; Y506-Y844 HydrophobicContact CE1-CD2 3.7Å; Y506-Y844 AromaticContact CE1-CG 3.71Å; Y506-Y844 HydrophobicContact CE1-CG 3.71Å; Y506-Y844 AromaticContact CE2-CD2 3.72Å; Y506-Y844 HydrophobicContact CE2-CD2 3.72Å; Y506-Y844 HydrophobicContact CE2-CG 4.33Å; Y506-Y844 AromaticContact CG-CD2 3.43Å; Y506-Y844 HydrophobicContact CG-CD2 3.43Å; Y506-Y844 VanDerWaalsContact CG-CD2 3.43Å; Y506-Y844 AromaticContact CG-CE2 3.7Å; Y506-Y844 HydrophobicContact CG-CE2 3.7Å; Y506-Y844 HydrophobicContact CG-CG 4.26Å; Y506-Y844 AromaticContact CZ-CD2 3.77Å; Y506-Y844 AromaticContact CZ-CG 3.92Å; Y506-H846 PolarHBondContact OH-CE1 2.6Å
507	Y	85.4	Confident	79.5	Confident	6 Å²	6	40 Å²	40	2%	0.024	20%	0.202	C	C	.	.			trans	-124.2	92.3	-178.1	-169.3	-103.9	0	0	0	110	F383 W404 H406 Y509 C793	F383-Y507 HydrophobicContact CD1-CD2 4.4Å; F383-Y507 HydrophobicContact CD1-CE2 4.29Å; F383-Y507 HydrophobicContact CE1-CD1 4.44Å; F383-Y507 AromaticContact CE1-CD2 3.47Å; F383-Y507 HydrophobicContact CE1-CD2 3.47Å; F383-Y507 VanDerWaalsContact CE1-CD2 3.47Å; F383-Y507 AromaticContact CE1-CE2 3.76Å; F383-Y507 HydrophobicContact CE1-CE2 3.76Å; F383-Y507 AromaticContact CE1-CG 3.88Å; F383-Y507 HydrophobicContact CE1-CG 3.88Å; F383-Y507 AromaticContact CZ-CD2 3.59Å; F383-Y507 HydrophobicContact CZ-CD2 3.59Å; F383-Y507 HydrophobicContact CZ-CE2 4.24Å; F383-Y507 HydrophobicContact CZ-CG 4.05Å; W404-Y507 HydrophobicContact CB-CD1 3.46Å; W404-Y507 VanDerWaalsContact CB-CD1 3.46Å; W404-Y507 HydrophobicContact CB-CE1 3.73Å; W404-Y507 HydrophobicContact CB-CG 4.23Å; W404-Y507 AromaticContact CD1-CD1 3.58Å; W404-Y507 HydrophobicContact CD2-CD1 4.01Å; W404-Y507 AromaticContact CD2-CE1 3.98Å; W404-Y507 HydrophobicContact CD2-CE1 3.98Å; W404-Y507 HydrophobicContact CE3-CE1 4.29Å; W404-Y507 AromaticContact CG-CD1 3.37Å; W404-Y507 HydrophobicContact CG-CD1 3.37Å; W404-Y507 AromaticContact CG-CE1 3.73Å; W404-Y507 HydrophobicContact CG-CE1 3.73Å; W404-Y507 HydrophobicContact CG-CG 4.42Å; H406-Y507 AromaticContact CE1-CE2 3.88Å; H406-Y507 AromaticContact CE1-CZ 3.97Å; H406-Y507 PolarHBondContact CE1-OH 2.9Å; H406-Y507 AromaticContact NE2-CE2 3.78Å; H406-Y507 AromaticContact NE2-CZ 3.42Å; H406-Y507 PolarHBondContact NE2-OH 2.95Å; Y507-Y509 VanDerWaalsContact C-N 3.3Å; Y507-Y509 HydrophobicContact CE1-CD2 4.23Å; Y507-Y509 AromaticContact CE1-CG 3.77Å; Y507-Y509 HydrophobicContact CE1-CG 3.77Å; Y507-Y509 PolarHBondContact O-N 2.92Å; Y507-C793 HydrophobicContact CD2-CB 3.75Å; Y507-C793 HydrophobicContact CE2-CB 3.27Å; Y507-C793 PolarHBondContact OH-O 2.86Å
508	P	81.5	Confident	81.1	Confident	19 Å²	19	37 Å²	37	12%	0.123	19%	0.187	C	C	.	.			trans	-70.6	81.3	178.6	23.3	-30.7	0	0	0	112	Y506 C793 H846	Y506-P508 HydrophobicContact CD1-CG 4.32Å; Y506-P508 HydrophobicContact CE1-CB 3.97Å; Y506-P508 HydrophobicContact CE1-CG 3.78Å; Y506-P508 HydrophobicContact CE2-CB 4.31Å; P508-C793 WeakPolarHBondContact CD-SG 3.04Å; P508-C793 WeakPolarHBondContact CG-SG 3.29Å; P508-H846 VanDerWaalsContact CA-NE2 3.33Å; P508-H846 WeakPolarHBondContact CA-NE2 3.42Å; P508-H846 WeakPolarHBondContact CB-CE1 3.07Å; P508-H846 WeakPolarHBondContact CB-ND1 3.32Å; P508-H846 WeakPolarHBondContact CB-NE2 3.42Å; P508-H846 PolarHBondContact O-NE2 3.43Å
509	Y	81.3	Confident	82.3	Confident	14 Å²	14	32 Å²	32	6%	0.055	16%	0.164	C	C	.	.			trans	-144.2	142.3	174.6	-161.3	-79.2	0	0	0	109.8	W404 I417 L455 L456 Y457 Y507 P511	W404-Y509 HydrophobicContact CD2-CD1 4.35Å; W404-Y509 AromaticContact CE3-CD1 3.94Å; W404-Y509 HydrophobicContact CE3-CD1 3.94Å; W404-Y509 AromaticContact CH2-CD1 3.4Å; W404-Y509 HydrophobicContact CH2-CD1 3.4Å; W404-Y509 VanDerWaalsContact CH2-CD1 3.4Å; W404-Y509 AromaticContact CH2-CE1 3.85Å; W404-Y509 HydrophobicContact CH2-CE1 3.85Å; W404-Y509 AromaticContact CZ2-CD1 3.82Å; W404-Y509 HydrophobicContact CZ2-CD1 3.82Å; W404-Y509 WeakPolarHBondContact CZ2-O 2.97Å; W404-Y509 AromaticContact CZ3-CD1 3.43Å; W404-Y509 HydrophobicContact CZ3-CD1 3.43Å; W404-Y509 VanDerWaalsContact CZ3-CD1 3.43Å; W404-Y509 AromaticContact CZ3-CE1 3.75Å; W404-Y509 HydrophobicContact CZ3-CE1 3.75Å; W404-Y509 HydrophobicContact CZ3-CG 4.47Å; W404-Y509 PolarHBondContact NE1-O 2.91Å; I417-Y509 HydrophobicContact CD1-CD2 4.26Å; I417-Y509 HydrophobicContact CD1-CE2 3.6Å; I417-Y509 HydrophobicContact CG2-CD1 4.27Å; I417-Y509 HydrophobicContact CG2-CE1 4.04Å; I417-Y509 HydrophobicContact CG2-CE2 4.31Å; L455-Y509 HydrophobicContact CD1-CE1 4.3Å; L456-Y509 PolarHBondContact O-OH 2.78Å; L456-Y509 VanDerWaalsContact O-OH 3.08Å; Y457-Y509 AromaticContact CD1-CE1 3.65Å; Y457-Y509 HydrophobicContact CD1-CE1 3.65Å; Y457-Y509 HydrophobicContact CE1-CE1 4.27Å; Y457-Y509 AromaticContact CG-CE1 3.79Å; Y457-Y509 HydrophobicContact CG-CE1 3.79Å; Y507-Y509 VanDerWaalsContact C-N 3.3Å; Y507-Y509 HydrophobicContact CE1-CD2 4.23Å; Y507-Y509 AromaticContact CE1-CG 3.77Å; Y507-Y509 HydrophobicContact CE1-CG 3.77Å; Y507-Y509 PolarHBondContact O-N 2.92Å; Y509-P511 HydrophobicContact CE2-CG 4.5Å
510	P	82.5	Confident	83.5	Confident	40 Å²	40	26.1 Å²	26.1	26%	0.26	14%	0.143	S	C	.	.	S	Bend	cis	-66.4	146.5	-3.4	28.9	-35.7	0	0	0	113	L455 R549 H846	L455-P510 HydrophobicContact CD1-CB 3.85Å; P510-R549 PolarHBondContact O-NH1 2.84Å; P510-H846 PolarHBondContact O-NE2 3.23Å
511	P	80.5	Confident	84	Confident	23 Å²	23	26.8 Å²	26.8	15%	0.149	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-60.8	146.9	170.2	24.8	-31.9	0	0	0	110.3	V452 L455 Y509	V452-P511 HydrophobicContact CG1-CG 4.03Å; L455-P511 HydrophobicContact CD1-CG 4.18Å; Y509-P511 HydrophobicContact CE2-CG 4.5Å
512	V	80.8	Confident	83.2	Confident	14 Å²	14	29.2 Å²	29.2	9%	0.085	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-80.8	157.7	178.2	-65.9	0	0	0	0	112.3	Y519 R549 I830 K847	V512-Y519 HydrophobicContact CB-CD2 4.33Å; V512-Y519 HydrophobicContact CG1-CD2 4.25Å; V512-Y519 HydrophobicContact CG1-CE2 4.07Å; V512-R549 VanDerWaalsContact CG1-NH1 3.3Å; V512-I830 HydrophobicContact CG1-CG2 4.35Å; V512-K847 HydrophobicContact CG2-CB 3.6Å; V512-K847 HydrophobicContact CG2-CD 3.4Å; V512-K847 HydrophobicContact CG2-CG 4.07Å
513	P	82.6	Confident	82.6	Confident	9 Å²	9	31.2 Å²	31.2	6%	0.058	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-54.3	157.7	176.7	-31.2	39.2	0	0	0	116.1	Q451 V452 T515 K518 K847 Y849	Q451-P513 HydrophobicContact CB-CG 4.3Å; Q451-P513 VanDerWaalsContact O-CB 3.27Å; Q451-P513 WeakPolarHBondContact O-CB 3.5Å; V452-P513 HydrophobicContact CG2-CB 4.41Å; V452-P513 HydrophobicContact CG2-CG 3.81Å; P513-T515 PolarHBondContact O-N 2.97Å; P513-K518 HydrophobicContact CB-CB 3.45Å; P513-K518 VanDerWaalsContact CB-CB 3.45Å; P513-K518 HydrophobicContact CB-CD 4.38Å; P513-K518 HydrophobicContact CG-CB 4.12Å; P513-K847 PolarHBondContact O-NZ 3.21Å; P513-Y849 WeakPolarHBondContact O-CE1 2.99Å; P513-Y849 PolarHBondContact O-OH 2.91Å
514	E	78.8	Confident	81.7	Confident	101 Å²	101	36.6 Å²	36.6	47%	0.472	21%	0.205	S	C	.	.	S	Bend	trans	-62.5	-41.6	-179.4	-69.2	171.8	139.3	0	0	112.8	P453 K518 K847 Y849	P453-E514 WeakPolarHBondContact CG-OE2 3.42Å; E514-K518 IonicContact OE2-NZ 2.91Å; E514-K847 PolarHBondContact O-NZ 3.17Å; E514-Y849 WeakPolarHBondContact O-CE1 3.43Å
515	T	82.4	Confident	80.4	Confident	28 Å²	28	42.8 Å²	42.8	17%	0.172	24%	0.242	C	C	.	.	S	Bend	trans	-119.1	157	179.7	73	0	0	0	0	112.6	P513 S517 K518 Y519 N853 S855	P513-T515 PolarHBondContact O-N 2.97Å; T515-S517 VanDerWaalsContact C-N 3.29Å; T515-S517 PolarHBondContact O-N 2.89Å; T515-K518 PolarHBondContact O-N 2.8Å; T515-Y519 PolarHBondContact O-N 2.77Å; T515-N853 WeakPolarHBondContact CA-O 3.49Å; T515-N853 VanDerWaalsContact CB-O 3.29Å; T515-N853 WeakPolarHBondContact CB-O 3.33Å; T515-S855 WeakPolarHBondContact CB-O 3.39Å; T515-S855 WeakPolarHBondContact CG2-O 3.28Å; T515-S855 PolarHBondContact OG1-O 2.73Å
516	F	84.1	Confident	79.2	Confident	28 Å²	28	51.8 Å²	51.8	12%	0.123	28%	0.284	C	S	.	.	H	α-helix	trans	-68.3	-29.4	-178.7	-175.9	-112.5	0	0	0	112.6	Y519 S520 L528 L529 V828 Y849 N853 T854	F516-Y519 AromaticContact CD2-CD1 3.89Å; F516-Y519 HydrophobicContact CD2-CD1 3.89Å; F516-Y519 HydrophobicContact CD2-CG 4.5Å; F516-Y519 AromaticContact CE2-CD1 3.66Å; F516-Y519 HydrophobicContact CE2-CD1 3.66Å; F516-Y519 HydrophobicContact CE2-CE1 4.17Å; F516-Y519 WeakPolarHBondContact O-CB 3.48Å; F516-Y519 PolarHBondContact O-N 3.3Å; F516-S520 WeakPolarHBondContact O-CB 3.29Å; F516-S520 PolarHBondContact O-N 3.42Å; F516-S520 PolarHBondContact O-OG 3.24Å; F516-L528 HydrophobicContact CE1-CD2 4.5Å; F516-L528 HydrophobicContact CE2-CD1 4.32Å; F516-L528 HydrophobicContact CZ-CD1 4Å; F516-L528 HydrophobicContact CZ-CD2 4.16Å; F516-L528 HydrophobicContact CZ-CG 4.04Å; F516-L529 HydrophobicContact CZ-CD2 4.1Å; F516-V828 HydrophobicContact CD2-CB 4.4Å; F516-V828 HydrophobicContact CD2-CG1 4.1Å; F516-V828 HydrophobicContact CD2-CG2 4.45Å; F516-V828 HydrophobicContact CE2-CB 4.45Å; F516-V828 HydrophobicContact CE2-CG1 3.76Å; F516-V828 HydrophobicContact CE2-CG2 4.42Å; F516-V828 HydrophobicContact CZ-CG1 4.33Å; F516-V828 HydrophobicContact CZ-CG2 4.47Å; F516-Y849 HydrophobicContact CB-CD1 4.1Å; F516-Y849 HydrophobicContact CB-CD2 4.06Å; F516-Y849 HydrophobicContact CB-CE2 4.48Å; F516-Y849 HydrophobicContact CB-CG 3.85Å; F516-Y849 AromaticContact CD2-CD2 3.84Å; F516-Y849 HydrophobicContact CD2-CD2 3.84Å; F516-Y849 HydrophobicContact CD2-CE2 4.04Å; F516-Y849 HydrophobicContact CD2-CG 4.48Å; F516-Y849 HydrophobicContact CG-CD2 4.39Å; F516-N853 PolarHBondContact N-O 3.48Å; F516-T854 HydrophobicContact CB-CG2 4.41Å
517	S	84	Confident	78.4	Confident	49 Å²	49	54.5 Å²	54.5	34%	0.343	30%	0.304	S	S	.	.	H	α-helix	trans	-56	-47.2	171.5	173.9	0	0	0	0	112.1	T515 S520 S521 T854 S855	T515-S517 VanDerWaalsContact C-N 3.29Å; T515-S517 PolarHBondContact O-N 2.89Å; S517-S520 PolarHBondContact O-OG 3.15Å; S517-S520 VanDerWaalsContact O-OG 3.12Å; S517-S521 PolarHBondContact O-N 3.01Å; S517-T854 WeakPolarHBondContact CB-O 3.48Å; S517-S855 WeakPolarHBondContact CB-O 3.43Å; S517-S855 WeakPolarHBondContact CB-OXT 3.21Å; S517-S855 PolarHBondContact OG-OXT 2.75Å
518	K	84.4	Confident	78.3	Confident	62 Å²	62	55.6 Å²	55.6	27%	0.27	31%	0.31	S	S	.	.	H	α-helix	trans	-65.6	-40.1	173.7	-69.1	-174.7	177.3	-167.1	0	112.4	N450 Q451 P513 E514 T515 S521	N450-K518 WeakPolarHBondContact O-CE 3.46Å; N450-K518 PolarHBondContact O-NZ 3.18Å; Q451-K518 WeakPolarHBondContact O-CD 3.39Å; P513-K518 HydrophobicContact CB-CB 3.45Å; P513-K518 VanDerWaalsContact CB-CB 3.45Å; P513-K518 HydrophobicContact CB-CD 4.38Å; P513-K518 HydrophobicContact CG-CB 4.12Å; E514-K518 IonicContact OE2-NZ 2.91Å; T515-K518 PolarHBondContact O-N 2.8Å; K518-S521 PolarHBondContact O-OG 3.02Å
519	Y	83.3	Confident	78.7	Confident	15 Å²	15	58 Å²	58	6%	0.059	32%	0.322	C	S	.	.	H	α-helix	trans	-61.5	-51.5	177	-179.8	-97.6	0	0	0	111.9	V512 T515 F516 S521 S522 I523 L528 A551 I830 Y849	V512-Y519 HydrophobicContact CB-CD2 4.33Å; V512-Y519 HydrophobicContact CG1-CD2 4.25Å; V512-Y519 HydrophobicContact CG1-CE2 4.07Å; T515-Y519 PolarHBondContact O-N 2.77Å; F516-Y519 AromaticContact CD2-CD1 3.89Å; F516-Y519 HydrophobicContact CD2-CD1 3.89Å; F516-Y519 HydrophobicContact CD2-CG 4.5Å; F516-Y519 AromaticContact CE2-CD1 3.66Å; F516-Y519 HydrophobicContact CE2-CD1 3.66Å; F516-Y519 HydrophobicContact CE2-CE1 4.17Å; F516-Y519 WeakPolarHBondContact O-CB 3.48Å; F516-Y519 PolarHBondContact O-N 3.3Å; Y519-S521 VanDerWaalsContact C-N 3.3Å; Y519-S521 PolarHBondContact O-N 3.16Å; Y519-S522 PolarHBondContact O-N 3.34Å; Y519-S522 VanDerWaalsContact O-N 3.16Å; Y519-S522 PolarHBondContact O-OG 3.12Å; Y519-I523 HydrophobicContact CD1-CD1 3.85Å; Y519-I523 HydrophobicContact CD2-CD1 4.33Å; Y519-I523 HydrophobicContact CE1-CD1 3.34Å; Y519-I523 HydrophobicContact CE2-CD1 3.89Å; Y519-I523 HydrophobicContact CG-CD1 4.32Å; Y519-L528 HydrophobicContact CD1-CD1 4.24Å; Y519-L528 HydrophobicContact CE1-CD1 4.27Å; Y519-A551 HydrophobicContact CE1-CB 4.18Å; Y519-I830 HydrophobicContact CD1-CD1 4.24Å; Y519-I830 HydrophobicContact CE1-CD1 3.7Å; Y519-I830 HydrophobicContact CE2-CD1 4.13Å; Y519-I830 HydrophobicContact CE2-CG1 4.5Å; Y519-I830 HydrophobicContact CE2-CG2 4.45Å; Y519-Y849 HydrophobicContact CG-CE2 4.46Å
520	S	84.3	Confident	79.2	Confident	38 Å²	38	58.1 Å²	58.1	27%	0.266	32%	0.324	S	S	.	.	H	α-helix	trans	-65.2	-31.2	-177.5	64.9	0	0	0	0	113.3	F516 S517 S522 I523	F516-S520 WeakPolarHBondContact O-CB 3.29Å; F516-S520 PolarHBondContact O-N 3.42Å; F516-S520 PolarHBondContact O-OG 3.24Å; S517-S520 PolarHBondContact O-OG 3.15Å; S517-S520 VanDerWaalsContact O-OG 3.12Å; S520-S522 PolarHBondContact O-N 3.18Å; S520-I523 PolarHBondContact O-N 3.19Å; S520-I523 VanDerWaalsContact O-N 3.15Å
521	S	80.8	Confident	79.7	Confident	81 Å²	81	58.2 Å²	58.2	57%	0.566	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-18.6	174.4	78.8	0	0	0	0	114.8	Q451 S517 K518 Y519	Q451-S521 PolarHBondContact NE2-OG 2.78Å; S517-S521 PolarHBondContact O-N 3.01Å; K518-S521 PolarHBondContact O-OG 3.02Å; Y519-S521 VanDerWaalsContact C-N 3.3Å; Y519-S521 PolarHBondContact O-N 3.16Å
522	S	68.6	Low	80.3	Confident	70 Å²	70	57.8 Å²	57.8	49%	0.49	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-6.7	-177.7	71.1	0	0	0	0	114.9	Y519 S520	Y519-S522 PolarHBondContact O-N 3.34Å; Y519-S522 VanDerWaalsContact O-N 3.16Å; Y519-S522 PolarHBondContact O-OG 3.12Å; S520-S522 PolarHBondContact O-N 3.18Å
523	I	74.8	Confident	80.8	Confident	49 Å²	49	60.9 Å²	60.9	25%	0.251	35%	0.347	S	S	.	.	S	Bend	trans	-123.1	146.5	-167.1	-62.1	169.6	0	0	0	110.4	Y519 S520 V525 L528	Y519-I523 HydrophobicContact CD1-CD1 3.85Å; Y519-I523 HydrophobicContact CD2-CD1 4.33Å; Y519-I523 HydrophobicContact CE1-CD1 3.34Å; Y519-I523 HydrophobicContact CE2-CD1 3.89Å; Y519-I523 HydrophobicContact CG-CD1 4.32Å; S520-I523 PolarHBondContact O-N 3.19Å; S520-I523 VanDerWaalsContact O-N 3.15Å; I523-V525 PolarHBondContact O-N 2.85Å; I523-L528 HydrophobicContact CB-CD1 4.23Å; I523-L528 HydrophobicContact CD1-CD1 4.42Å; I523-L528 HydrophobicContact CG2-CD1 4.32Å
524	K	71.5	Confident	81.3	Confident	114 Å²	114	65.3 Å²	65.3	50%	0.496	37%	0.367	S	S	.	.			trans	-62.3	135.7	172.6	-56.7	173.9	-169.9	160.6	0	109.3	E394 E526 S527 L528	E394-K524 IonicContact OE1-NZ 3.81Å; E394-K524 PolarHBondContact OE1-NZ 3.12Å; E394-K524 IonicContact OE2-NZ 2.68Å; E394-K524 PolarHBondContact OE2-NZ 3.33Å; K524-E526 PolarHBondContact O-N 3.2Å; K524-S527 CarbonylContact O-C 3.6Å; K524-S527 PolarHBondContact O-N 2.69Å; K524-S527 PolarHBondContact O-OG 3.32Å; K524-L528 PolarHBondContact O-N 3.46Å
525	V	64.5	Low	82	Confident	130 Å²	130	60.5 Å²	60.5	79%	0.788	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-54.5	-40.3	-178.8	-177.4	0	0	0	0	112.2	I523 S527 L528	I523-V525 PolarHBondContact O-N 2.85Å; V525-S527 PolarHBondContact O-N 2.92Å; V525-L528 WeakPolarHBondContact O-CB 3.36Å; V525-L528 PolarHBondContact O-N 3.22Å
526	E	60.5	Low	82.5	Confident	190 Å²	190	63.5 Å²	63.5	89%	0.888	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-63.7	-17.7	178.5	-61.5	171.8	163.7	0	0	114.5	K524	K524-E526 PolarHBondContact O-N 3.2Å
527	S	70.3	Confident	82.9	Confident	64 Å²	64	68.5 Å²	68.5	45%	0.448	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-121.3	18.9	-179.6	70.3	0	0	0	0	112.7	K524 V525	K524-S527 CarbonylContact O-C 3.6Å; K524-S527 PolarHBondContact O-N 2.69Å; K524-S527 PolarHBondContact O-OG 3.32Å; V525-S527 PolarHBondContact O-N 2.92Å
528	L	83.1	Confident	83.3	Confident	29 Å²	29	68.5 Å²	68.5	15%	0.152	37%	0.369	C	S	.	.	S	Bend	trans	-80.5	-34.3	-172.8	179.7	60.5	0	0	0	113.4	F516 Y519 I523 K524 V525 A551	F516-L528 HydrophobicContact CE1-CD2 4.5Å; F516-L528 HydrophobicContact CE2-CD1 4.32Å; F516-L528 HydrophobicContact CZ-CD1 4Å; F516-L528 HydrophobicContact CZ-CD2 4.16Å; F516-L528 HydrophobicContact CZ-CG 4.04Å; Y519-L528 HydrophobicContact CD1-CD1 4.24Å; Y519-L528 HydrophobicContact CE1-CD1 4.27Å; I523-L528 HydrophobicContact CB-CD1 4.23Å; I523-L528 HydrophobicContact CD1-CD1 4.42Å; I523-L528 HydrophobicContact CG2-CD1 4.32Å; K524-L528 PolarHBondContact O-N 3.46Å; V525-L528 WeakPolarHBondContact O-CB 3.36Å; V525-L528 PolarHBondContact O-N 3.22Å; L528-A551 WeakPolarHBondContact O-CB 3.26Å
529	L	89.3	Confident	83.7	Confident	70 Å²	70	65.9 Å²	65.9	37%	0.366	36%	0.358	S	S	.	.			trans	-134.4	145.3	179.8	-67.2	174.7	0	0	0	110.1	F516 A551 Q553 V828	F516-L529 HydrophobicContact CZ-CD2 4.1Å; L529-A551 CarbonylContact C-O 3.54Å; L529-A551 WeakPolarHBondContact CA-O 3.42Å; L529-A551 HydrophobicContact CD2-CB 3.95Å; L529-Q553 HydrophobicContact CD1-CG 4.1Å; L529-Q553 HydrophobicContact CD2-CG 4.07Å; L529-V828 HydrophobicContact CD2-CG1 3.95Å
530	T	92.6	Very high	84.1	Confident	16 Å²	16	70.5 Å²	70.5	10%	0.098	38%	0.38	C	S	.	.			trans	-117.7	132.5	176.6	-54.7	0	0	0	0	108.3	E534 V535 E538 I550 A551	T530-E534 HydrophobicContact CG2-CB 3.9Å; T530-V535 HydrophobicContact CG2-CG2 4.11Å; T530-E538 HydrophobicContact CG2-CG 4.1Å; T530-I550 HydrophobicContact CG2-CD1 4.49Å; T530-A551 PolarHBondContact N-O 3.05Å
531	A	92.3	Very high	84.4	Confident	43 Å²	43	73.2 Å²	73.2	36%	0.355	39%	0.391	S	S	.	.			trans	-72.4	146.9	173.9	0	0	0	0	0	110.3	S533 E534 V535	A531-S533 WeakPolarHBondContact CB-OG 3.48Å; A531-S533 PolarHBondContact O-N 3.48Å; A531-E534 HydrophobicContact CB-CG 4.08Å; A531-E534 WeakPolarHBondContact CB-OE2 3.49Å; A531-E534 PolarHBondContact N-OE2 2.81Å; A531-E534 WeakPolarHBondContact O-CA 3.48Å; A531-E534 WeakPolarHBondContact O-CB 3.43Å; A531-E534 PolarHBondContact O-N 2.79Å; A531-V535 PolarHBondContact O-N 2.73Å
532	I	93.1	Very high	85	Confident	13 Å²	13	69.6 Å²	69.6	7%	0.067	37%	0.365	C	S	.	.	H	α-helix	trans	-62.5	-28.6	-178.2	-55.7	-169.2	0	0	0	111.7	E534 V535 I552 L696 I755 I762 I764	I532-E534 PolarHBondContact O-N 3.06Å; I532-V535 PolarHBondContact O-N 2.92Å; I532-I552 HydrophobicContact CD1-CD1 3.97Å; I532-I552 HydrophobicContact CG1-CB 4.26Å; I532-I552 HydrophobicContact CG1-CD1 4.21Å; I532-L696 HydrophobicContact CG2-CD1 4.17Å; I532-I755 HydrophobicContact CD1-CG2 4.37Å; I532-I762 HydrophobicContact CB-CG2 4.47Å; I532-I762 HydrophobicContact CG2-CB 4.4Å; I532-I762 HydrophobicContact CG2-CG2 3.68Å; I532-I764 HydrophobicContact CD1-CG2 4.25Å; I532-I764 HydrophobicContact CG2-CB 4.24Å; I532-I764 HydrophobicContact CG2-CG2 4.15Å
533	S	91.1	Very high	86.2	Confident	80 Å²	80	67.3 Å²	67.3	56%	0.559	35%	0.347	S	S	*	.	H	α-helix	trans	-60.6	-27.1	169.4	44.1	0	0	0	0	114.3	A531	A531-S533 WeakPolarHBondContact CB-OG 3.48Å; A531-S533 PolarHBondContact O-N 3.48Å
534	E	93.3	Very high	87.1	Confident	102 Å²	102	65.1 Å²	65.1	48%	0.477	34%	0.336	S	S	.	.	H	α-helix	trans	-90.9	-21.5	-178.6	-61	170.6	140	0	0	112.4	T530 A531 I532 R536 K537 E538	T530-E534 HydrophobicContact CG2-CB 3.9Å; A531-E534 HydrophobicContact CB-CG 4.08Å; A531-E534 WeakPolarHBondContact CB-OE2 3.49Å; A531-E534 PolarHBondContact N-OE2 2.81Å; A531-E534 WeakPolarHBondContact O-CA 3.48Å; A531-E534 WeakPolarHBondContact O-CB 3.43Å; A531-E534 PolarHBondContact O-N 2.79Å; I532-E534 PolarHBondContact O-N 3.06Å; E534-R536 PolarHBondContact O-N 3.38Å; E534-R536 VanDerWaalsContact O-N 3.17Å; E534-K537 WeakPolarHBondContact O-CB 3.3Å; E534-K537 PolarHBondContact O-N 3Å; E534-E538 PolarHBondContact O-N 3.16Å
535	V	93.4	Very high	88.2	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56.3	-35.3	-177.2	176.1	0	0	0	0	112.4	T530 A531 I532 E538 I539 I550 I552 L696 I764	T530-V535 HydrophobicContact CG2-CG2 4.11Å; A531-V535 PolarHBondContact O-N 2.73Å; I532-V535 PolarHBondContact O-N 2.92Å; V535-E538 PolarHBondContact O-N 2.86Å; V535-I539 HydrophobicContact CG1-CD1 3.9Å; V535-I539 WeakPolarHBondContact O-CB 3.32Å; V535-I539 WeakPolarHBondContact O-CG1 3.25Å; V535-I539 PolarHBondContact O-N 2.91Å; V535-I550 HydrophobicContact CG1-CD1 4.27Å; V535-I550 HydrophobicContact CG2-CD1 4.03Å; V535-I552 HydrophobicContact CG2-CG2 3.72Å; V535-L696 HydrophobicContact CB-CD1 4.22Å; V535-L696 HydrophobicContact CG1-CD1 4.44Å; V535-I764 HydrophobicContact CG1-CD1 3.83Å
536	R	93.8	Very high	89.7	Confident	90 Å²	90	54.2 Å²	54.2	34%	0.34	28%	0.278	S	S	.	.	H	α-helix	trans	-59.1	-50.8	174.2	177.5	-178.4	-68.3	-77.9	8.2	111.6	E534 I539 E540 D694 L696	E534-R536 PolarHBondContact O-N 3.38Å; E534-R536 VanDerWaalsContact O-N 3.17Å; R536-I539 WeakPolarHBondContact O-CB 3.29Å; R536-I539 PolarHBondContact O-N 3.09Å; R536-E540 WeakPolarHBondContact CG-OE1 3.34Å; R536-E540 WeakPolarHBondContact O-CG 3.44Å; R536-E540 PolarHBondContact O-N 3.48Å; R536-D694 IonicContact CZ-OD2 3.17Å; R536-D694 IonicContact NE-OD2 3.05Å; R536-D694 PolarHBondContact NE-OD2 3.49Å; R536-D694 VanDerWaalsContact NH2-CG 3.27Å; R536-D694 IonicContact NH2-OD1 2.66Å; R536-D694 PolarHBondContact NH2-OD1 3.08Å; R536-D694 IonicContact NH2-OD2 2.69Å; R536-D694 PolarHBondContact NH2-OD2 2.68Å; R536-L696 HydrophobicContact CB-CD2 4.27Å; R536-L696 VanDerWaalsContact NH2-CD2 3.28Å
537	K	92.8	Very high	91.2	Very high	134 Å²	134	46.5 Å²	46.5	58%	0.583	24%	0.242	S	C	*	.	H	α-helix	trans	-65.1	-43.7	178.2	-176.4	-163.5	167.4	-160.3	0	111.4	E534 I539 E540 D541	E534-K537 WeakPolarHBondContact O-CB 3.3Å; E534-K537 PolarHBondContact O-N 3Å; K537-I539 PolarHBondContact O-N 2.98Å; K537-E540 PolarHBondContact O-N 2.88Å; K537-D541 WeakPolarHBondContact CE-OD2 3.48Å; K537-D541 WeakPolarHBondContact O-CB 3.48Å; K537-D541 PolarHBondContact O-N 3.09Å
538	E	92.4	Very high	92.2	Very high	48 Å²	48	47 Å²	47	22%	0.224	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-25.5	177.4	-81.4	-73.8	-161.1	0	0	113.5	T530 E534 V535 L542 K548	T530-E538 HydrophobicContact CG2-CG 4.1Å; E534-E538 PolarHBondContact O-N 3.16Å; V535-E538 PolarHBondContact O-N 2.86Å; E538-L542 WeakPolarHBondContact O-CG 3.43Å; E538-K548 IonicContact OE1-NZ 3.52Å; E538-K548 PolarHBondContact OE1-NZ 3.16Å; E538-K548 IonicContact OE2-NZ 2.98Å; E538-K548 PolarHBondContact OE2-NZ 3.38Å
539	I	92.9	Very high	92.6	Very high	7 Å²	7	49 Å²	49	4%	0.036	24%	0.241	C	C	.	.	H	α-helix	trans	-80.5	-43.1	171	-79.2	168.4	0	0	0	111.8	V535 R536 K537 D541 L542 Y698 I833 V841 V843	V535-I539 HydrophobicContact CG1-CD1 3.9Å; V535-I539 WeakPolarHBondContact O-CB 3.32Å; V535-I539 WeakPolarHBondContact O-CG1 3.25Å; V535-I539 PolarHBondContact O-N 2.91Å; R536-I539 WeakPolarHBondContact O-CB 3.29Å; R536-I539 PolarHBondContact O-N 3.09Å; K537-I539 PolarHBondContact O-N 2.98Å; I539-D541 VanDerWaalsContact C-N 3.3Å; I539-D541 PolarHBondContact O-N 2.66Å; I539-L542 WeakPolarHBondContact O-CB 3.3Å; I539-L542 PolarHBondContact O-N 2.84Å; I539-Y698 HydrophobicContact CD1-CD1 4.42Å; I539-Y698 HydrophobicContact CD1-CD2 4Å; I539-Y698 HydrophobicContact CD1-CE1 4.04Å; I539-Y698 HydrophobicContact CD1-CE2 3.55Å; I539-Y698 HydrophobicContact CD1-CG 4.41Å; I539-Y698 HydrophobicContact CG2-CE1 4.42Å; I539-I833 HydrophobicContact CG1-CD1 4.39Å; I539-V841 HydrophobicContact CD1-CG1 4.32Å; I539-V841 HydrophobicContact CG1-CG1 4.17Å; I539-V841 HydrophobicContact CG2-CB 4.19Å; I539-V841 HydrophobicContact CG2-CG1 3.72Å; I539-V841 HydrophobicContact CG2-CG2 3.82Å; I539-V843 HydrophobicContact CD1-CG2 3.61Å
540	E	91.4	Very high	92.8	Very high	113 Å²	113	46 Å²	46	53%	0.528	23%	0.226	S	C	.	.	H	α-helix	trans	-64.9	-32	179.4	-72.3	163.7	-174.4	0	0	112.5	Q120 R536 K537 L542	Q120-E540 PolarHBondContact NE2-O 3.18Å; R536-E540 WeakPolarHBondContact CG-OE1 3.34Å; R536-E540 WeakPolarHBondContact O-CG 3.44Å; R536-E540 PolarHBondContact O-N 3.48Å; K537-E540 PolarHBondContact O-N 2.88Å; E540-L542 VanDerWaalsContact C-N 3.32Å; E540-L542 PolarHBondContact O-N 3.23Å
541	D	90.6	Very high	92.9	Very high	95 Å²	95	45.3 Å²	45.3	51%	0.508	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-11	176	-79.9	-30	0	0	0	114.1	K537 I539	K537-D541 WeakPolarHBondContact CE-OD2 3.48Å; K537-D541 WeakPolarHBondContact O-CB 3.48Å; K537-D541 PolarHBondContact O-N 3.09Å; I539-D541 VanDerWaalsContact C-N 3.3Å; I539-D541 PolarHBondContact O-N 2.66Å
542	L	92.4	Very high	93	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-74.6	134.7	179.3	-65.7	179.6	0	0	0	112.9	Q120 E538 I539 E540 E546 K548 I833 N835	Q120-L542 PolarHBondContact NE2-O 3.26Å; Q120-L542 VanDerWaalsContact NE2-O 3.13Å; E538-L542 WeakPolarHBondContact O-CG 3.43Å; I539-L542 WeakPolarHBondContact O-CB 3.3Å; I539-L542 PolarHBondContact O-N 2.84Å; E540-L542 VanDerWaalsContact C-N 3.32Å; E540-L542 PolarHBondContact O-N 3.23Å; L542-E546 HydrophobicContact CD2-CB 4.32Å; L542-E546 HydrophobicContact CD2-CG 3.97Å; L542-K548 HydrophobicContact CD2-CB 3.97Å; L542-I833 HydrophobicContact CD1-CB 4.25Å; L542-I833 HydrophobicContact CD1-CD1 4.07Å; L542-I833 HydrophobicContact CD1-CG1 4.07Å; L542-I833 HydrophobicContact CD2-CD1 4.38Å; L542-I833 HydrophobicContact CG-CD1 4.49Å; L542-N835 HydrophobicContact CB-CB 3.86Å; L542-N835 HydrophobicContact CD1-CB 4.27Å; L542-N835 PolarHBondContact O-ND2 3.31Å
543	Q	93.2	Very high	93	Very high	23 Å²	23	46.8 Å²	46.8	11%	0.107	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-85.3	162.5	166	-61.7	-159.9	-9	0	0	113.2	F399 R545 E546 N835	F399-Q543 HydrophobicContact CE2-CG 4.26Å; F399-Q543 HydrophobicContact CZ-CB 3.96Å; F399-Q543 HydrophobicContact CZ-CG 3.9Å; Q543-R545 PolarHBondContact O-N 3.37Å; Q543-E546 PolarHBondContact N-OE2 2.79Å; Q543-E546 WeakPolarHBondContact O-CA 3.27Å; Q543-E546 WeakPolarHBondContact O-CB 3.44Å; Q543-E546 PolarHBondContact O-N 2.78Å; Q543-N835 WeakPolarHBondContact O-CB 3.5Å
544	Y	95.4	Very high	93.2	Very high	2 Å²	2	43 Å²	43	1%	0.008	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	133.5	175.3	171.4	-120.6	0	0	0	113.1	Y119 N121 W192 R389 E546 Q725 L836	Y119-Y544 WeakPolarHBondContact O-CB 3.26Å; Y119-Y544 PolarHBondContact O-N 3.33Å; N121-Y544 HydrophobicContact CB-CD1 3.84Å; N121-Y544 HydrophobicContact CB-CD2 3.74Å; N121-Y544 HydrophobicContact CB-CE1 4.42Å; N121-Y544 HydrophobicContact CB-CE2 4.34Å; N121-Y544 HydrophobicContact CB-CG 3.44Å; N121-Y544 VanDerWaalsContact CB-CG 3.44Å; N121-Y544 VanDerWaalsContact ND2-CE2 3.25Å; N121-Y544 WeakPolarHBondContact ND2-CE2 3.36Å; W192-Y544 HydrophobicContact CD2-CD1 4.06Å; W192-Y544 HydrophobicContact CD2-CE1 4.43Å; W192-Y544 AromaticContact CE2-CD1 3.88Å; W192-Y544 AromaticContact CE2-CE1 3.96Å; W192-Y544 AromaticContact CE3-CD1 3.97Å; W192-Y544 HydrophobicContact CE3-CD1 3.97Å; W192-Y544 AromaticContact CH2-CD1 3.57Å; W192-Y544 HydrophobicContact CH2-CD1 3.57Å; W192-Y544 HydrophobicContact CH2-CE1 4.29Å; W192-Y544 HydrophobicContact CH2-CG 4.38Å; W192-Y544 AromaticContact CZ2-CD1 3.64Å; W192-Y544 HydrophobicContact CZ2-CD1 3.64Å; W192-Y544 AromaticContact CZ2-CE1 3.89Å; W192-Y544 HydrophobicContact CZ2-CE1 3.89Å; W192-Y544 AromaticContact CZ3-CD1 3.74Å; W192-Y544 HydrophobicContact CZ3-CD1 3.74Å; W192-Y544 HydrophobicContact CZ3-CG 4.46Å; R389-Y544 WeakPolarHBondContact CD-O 3.42Å; R389-Y544 PolarHBondContact NH1-O 3.14Å; Y544-E546 PolarHBondContact O-N 3.45Å; Y544-E546 VanDerWaalsContact O-N 3.14Å; Y544-Q725 HydrophobicContact CE1-CG 4.29Å; Y544-Q725 PolarHBondContact OH-N 3.18Å; Y544-L836 WeakPolarHBondContact CD2-O 3.49Å; Y544-L836 WeakPolarHBondContact CE2-O 3.48Å
545	R	94.6	Very high	93.3	Very high	3 Å²	3	38.5 Å²	38.5	1%	0.011	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	3.7	-170.1	-58.9	-58	-163.4	-158.7	0.3	115.7	V387 Q388 R389 Q543 Q547 E704 Q721 N723 N835	V387-R545 VanDerWaalsContact O-CD 3.3Å; V387-R545 WeakPolarHBondContact O-CD 3.34Å; Q388-R545 CarbonylContact C-O 3.47Å; R389-R545 HydrophobicContact CB-CB 4.42Å; R389-R545 HydrophobicContact CG-CB 4.06Å; R389-R545 PolarHBondContact N-O 2.8Å; Q543-R545 PolarHBondContact O-N 3.37Å; R545-Q547 PolarHBondContact O-N 3.26Å; R545-E704 IonicContact CZ-OE2 3.19Å; R545-E704 VanDerWaalsContact CZ-OE2 3.31Å; R545-E704 IonicContact NH1-OE2 3.69Å; R545-E704 PolarHBondContact NH1-OE2 2.83Å; R545-E704 IonicContact NH2-OE2 2.62Å; R545-E704 PolarHBondContact NH2-OE2 2.95Å; R545-Q721 PolarHBondContact NH2-O 2.94Å; R545-N723 PolarHBondContact NH2-O 3.01Å; R545-N723 VanDerWaalsContact NH2-O 3.12Å; R545-N835 WeakPolarHBondContact CA-O 3.17Å; R545-N835 PolarHBondContact N-O 2.9Å
546	E	94.8	Very high	93.3	Very high	13 Å²	13	38.5 Å²	38.5	6%	0.061	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-62.5	129.2	173.8	-170.8	165	-169.6	0	0	109.8	R389 F399 L542 Q543 Y544 C834 N835	R389-E546 WeakPolarHBondContact O-CA 3.39Å; F399-E546 HydrophobicContact CE1-CB 4.21Å; F399-E546 VanDerWaalsContact CE1-CD 3.48Å; F399-E546 HydrophobicContact CE1-CG 3.9Å; F399-E546 WeakPolarHBondContact CE1-OE2 3.46Å; F399-E546 WeakPolarHBondContact CZ-OE2 3.33Å; L542-E546 HydrophobicContact CD2-CB 4.32Å; L542-E546 HydrophobicContact CD2-CG 3.97Å; Q543-E546 PolarHBondContact N-OE2 2.79Å; Q543-E546 WeakPolarHBondContact O-CA 3.27Å; Q543-E546 WeakPolarHBondContact O-CB 3.44Å; Q543-E546 PolarHBondContact O-N 2.78Å; Y544-E546 PolarHBondContact O-N 3.45Å; Y544-E546 VanDerWaalsContact O-N 3.14Å; E546-C834 WeakPolarHBondContact O-CA 3.32Å; E546-C834 PolarHBondContact O-SG 2.98Å; E546-N835 PolarHBondContact O-N 2.71Å
547	Q	91.6	Very high	93.4	Very high	28 Å²	28	34.2 Å²	34.2	13%	0.131	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.9	174.6	-175.4	72.1	61.9	0	0	108.2	Q388 R389 R545 I833	Q388-Q547 HydrophobicContact CB-CB 4.45Å; Q388-Q547 HydrophobicContact CG-CB 4.48Å; R389-Q547 PolarHBondContact O-N 3.01Å; R545-Q547 PolarHBondContact O-N 3.26Å; Q547-I833 PolarHBondContact NE2-O 3.19Å; Q547-I833 VanDerWaalsContact NE2-O 3.08Å
548	K	92.1	Very high	93.5	Very high	74 Å²	74	28 Å²	28	32%	0.322	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	152.4	172.2	-175.2	171.3	174.5	176.9	0	109.4	E538 L542 I550 I833	E538-K548 IonicContact OE1-NZ 3.52Å; E538-K548 PolarHBondContact OE1-NZ 3.16Å; E538-K548 IonicContact OE2-NZ 2.98Å; E538-K548 PolarHBondContact OE2-NZ 3.38Å; L542-K548 HydrophobicContact CD2-CB 3.97Å; K548-I550 HydrophobicContact CD-CG2 4.32Å; K548-I550 HydrophobicContact CG-CG2 4.16Å; K548-I833 HydrophobicContact CB-CD1 4.16Å; K548-I833 HydrophobicContact CB-CG1 3.85Å; K548-I833 HydrophobicContact CG-CD1 4.46Å; K548-I833 PolarHBondContact N-O 3.21Å; K548-I833 WeakPolarHBondContact O-CG1 3.27Å; K548-I833 PolarHBondContact O-N 3.11Å
549	R	91.9	Very high	93.6	Very high	71 Å²	71	25.8 Å²	25.8	27%	0.268	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.2	173.3	-178.3	169.2	-71.7	169.2	2.7	107.7	P510 V512 I830 L831 D832 H846	P510-R549 PolarHBondContact O-NH1 2.84Å; V512-R549 VanDerWaalsContact CG1-NH1 3.3Å; R549-I830 HydrophobicContact CG-CG2 3.62Å; R549-L831 WeakPolarHBondContact CA-O 3.3Å; R549-D832 WeakPolarHBondContact CB-OD1 3.24Å; R549-D832 WeakPolarHBondContact CG-OD1 3.48Å; R549-D832 IonicContact CZ-OD1 3.58Å; R549-D832 IonicContact CZ-OD2 3.5Å; R549-D832 IonicContact NE-OD1 3.38Å; R549-D832 PolarHBondContact NE-OD1 2.81Å; R549-D832 IonicContact NE-OD2 3.67Å; R549-D832 IonicContact NH2-OD1 2.76Å; R549-D832 PolarHBondContact NH2-OD1 3.41Å; R549-D832 VanDerWaalsContact NH2-OD1 3.15Å; R549-D832 IonicContact NH2-OD2 3.84Å; R549-D832 PolarHBondContact NH2-OD2 2.77Å; R549-H846 PolarHBondContact NH2-CE1 3.21Å; R549-H846 PolarHBondContact NH2-ND1 3.07Å; R549-H846 VanDerWaalsContact NH2-ND1 3.19Å; R549-H846 PolarHBondContact NH2-NE2 3.16Å
550	I	93.4	Very high	93.6	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.036	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	163.5	178.3	64.2	174	0	0	0	109.9	T530 V535 K548 I552 I830 L831 I833	T530-I550 HydrophobicContact CG2-CD1 4.49Å; V535-I550 HydrophobicContact CG1-CD1 4.27Å; V535-I550 HydrophobicContact CG2-CD1 4.03Å; K548-I550 HydrophobicContact CD-CG2 4.32Å; K548-I550 HydrophobicContact CG-CG2 4.16Å; I550-I552 HydrophobicContact CD1-CG2 4.39Å; I550-I830 WeakPolarHBondContact O-CA 3.39Å; I550-L831 HydrophobicContact CD1-CD1 4.47Å; I550-L831 HydrophobicContact CG1-CB 3.9Å; I550-L831 PolarHBondContact N-O 3.04Å; I550-L831 PolarHBondContact O-N 3.12Å; I550-I833 HydrophobicContact CD1-CD1 4.26Å; I550-I833 HydrophobicContact CD1-CG2 4.39Å; I550-I833 HydrophobicContact CG2-CD1 4.23Å
551	A	93.7	Very high	93.5	Very high	2 Å²	2	23.9 Å²	23.9	2%	0.017	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.3	175.2	0	0	0	0	0	109.6	Y519 L528 L529 T530 V828 G829 I830	Y519-A551 HydrophobicContact CE1-CB 4.18Å; L528-A551 WeakPolarHBondContact O-CB 3.26Å; L529-A551 CarbonylContact C-O 3.54Å; L529-A551 WeakPolarHBondContact CA-O 3.42Å; L529-A551 HydrophobicContact CD2-CB 3.95Å; T530-A551 PolarHBondContact N-O 3.05Å; A551-V828 HydrophobicContact CB-CG1 4.01Å; A551-G829 WeakPolarHBondContact CA-O 3.47Å; A551-I830 HydrophobicContact CB-CD1 3.48Å; A551-I830 VanDerWaalsContact CB-CD1 3.48Å
552	I	94.6	Very high	93.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	156.6	179.7	62.4	159.2	0	0	0	110.7	I532 V535 I550 I755 I764 V828 G829 L831	I532-I552 HydrophobicContact CD1-CD1 3.97Å; I532-I552 HydrophobicContact CG1-CB 4.26Å; I532-I552 HydrophobicContact CG1-CD1 4.21Å; V535-I552 HydrophobicContact CG2-CG2 3.72Å; I550-I552 HydrophobicContact CD1-CG2 4.39Å; I552-I755 HydrophobicContact CD1-CD1 4.13Å; I552-I755 HydrophobicContact CD1-CG2 4.12Å; I552-I764 HydrophobicContact CD1-CG2 3.93Å; I552-V828 CarbonylContact O-C 3.47Å; I552-V828 WeakPolarHBondContact O-CA 3.38Å; I552-G829 PolarHBondContact N-O 2.78Å; I552-G829 PolarHBondContact O-N 3.16Å; I552-L831 HydrophobicContact CD1-CD1 3.76Å; I552-L831 HydrophobicContact CD1-CG 4.41Å; I552-L831 HydrophobicContact CG1-CD1 3.97Å; I552-L831 HydrophobicContact CG1-CG 4.24Å; I552-L831 HydrophobicContact CG2-CD1 4.19Å
553	Q	93.8	Very high	93	Very high	87 Å²	87	24.2 Å²	24.2	41%	0.407	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	140.7	172	-62.7	-168.6	-62.5	0	0	111.7	L529 L758 I827 V828	L529-Q553 HydrophobicContact CD1-CG 4.1Å; L529-Q553 HydrophobicContact CD2-CG 4.07Å; Q553-L758 HydrophobicContact CB-CD1 3.94Å; Q553-L758 HydrophobicContact CB-CG 4.3Å; Q553-I827 WeakPolarHBondContact CA-O 3.46Å; Q553-V828 HydrophobicContact CG-CG2 4.33Å
554	G	94.8	Very high	91.9	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.3	-163.7	-179.7	0	0	0	0	0	113.3	L756 I827	G554-L756 CarbonylContact C-O 3.55Å; G554-L756 WeakPolarHBondContact CA-O 3.18Å; G554-I827 PolarHBondContact N-O 3.47Å; G554-I827 VanDerWaalsContact O-CG1 3.28Å; G554-I827 WeakPolarHBondContact O-CG1 3.42Å; G554-I827 PolarHBondContact O-N 2.94Å
555	I	94.9	Very high	90.1	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	136.3	178.4	-58.7	173.2	0	0	0	107.6	T557 L684 I755 L756 L758	I555-T557 HydrophobicContact CB-CG2 4.46Å; I555-T557 HydrophobicContact CG2-CG2 4.21Å; I555-T557 PolarHBondContact O-N 2.64Å; I555-L684 HydrophobicContact CD1-CD2 4.06Å; I555-L684 HydrophobicContact CG2-CD2 4.39Å; I555-I755 WeakPolarHBondContact O-CA 3.38Å; I555-L756 PolarHBondContact N-O 3.22Å; I555-L756 PolarHBondContact O-N 2.87Å; I555-L758 HydrophobicContact CG1-CD2 4.46Å
556	I	94.8	Very high	87.7	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	122.4	172.6	-48.1	175	0	0	0	108.4	W680 V753 L822 I827 I848	I556-W680 HydrophobicContact CG2-CZ3 4.45Å; I556-V753 HydrophobicContact CG2-CG1 3.89Å; I556-L822 HydrophobicContact CD1-CB 4.09Å; I556-L822 HydrophobicContact CD1-CD1 3.67Å; I556-I827 HydrophobicContact CD1-CD1 4.2Å; I556-I827 HydrophobicContact CG1-CD1 3.68Å; I556-I827 HydrophobicContact CG1-CG1 4.42Å; I556-I848 HydrophobicContact CD1-CD1 3.5Å; I556-I848 VanDerWaalsContact CD1-CD1 3.5Å; I556-I848 HydrophobicContact CG1-CD1 4.36Å
557	T	95.1	Very high	84.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	-17.5	-173.1	53	0	0	0	0	114	I555 S682 L684 W685 T754 L756	I555-T557 HydrophobicContact CB-CG2 4.46Å; I555-T557 HydrophobicContact CG2-CG2 4.21Å; I555-T557 PolarHBondContact O-N 2.64Å; T557-S682 PolarHBondContact O-N 3.08Å; T557-S682 PolarHBondContact O-OG 2.95Å; T557-L684 HydrophobicContact CG2-CD2 4.24Å; T557-W685 WeakPolarHBondContact O-CB 3.44Å; T557-T754 PolarHBondContact N-O 2.88Å; T557-T754 PolarHBondContact OG1-O 2.92Å; T557-L756 HydrophobicContact CG2-CB 3.56Å; T557-L756 HydrophobicContact CG2-CD2 3.91Å; T557-L756 HydrophobicContact CG2-CG 4.4Å
558	A	95.3	Very high	81.9	Confident	4 Å²	4	43.5 Å²	43.5	3%	0.033	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	154.2	167	0	0	0	0	0	111.6	W680 E681 T754	A558-W680 WeakPolarHBondContact CA-O 3.03Å; A558-W680 WeakPolarHBondContact CB-O 3.44Å; A558-E681 HydrophobicContact CB-CG 4.25Å; A558-T754 PolarHBondContact O-N 3.23Å
559	I	94.2	Very high	78.9	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	144.4	166	-171.2	165.4	0	0	0	109.8	R679 W680 F751 E752 V753 L785 I815 I816 A819	I559-R679 CarbonylContact O-C 3.54Å; I559-R679 VanDerWaalsContact O-CA 3.31Å; I559-R679 WeakPolarHBondContact O-CA 3.36Å; I559-R679 WeakPolarHBondContact O-CG 3.3Å; I559-W680 HydrophobicContact CG2-CB 4.04Å; I559-W680 HydrophobicContact CG2-CE3 4.17Å; I559-W680 PolarHBondContact N-O 2.86Å; I559-W680 PolarHBondContact O-N 3.01Å; I559-F751 HydrophobicContact CD1-CB 4.18Å; I559-F751 HydrophobicContact CD1-CD1 3.94Å; I559-F751 HydrophobicContact CD1-CG 4.17Å; I559-F751 HydrophobicContact CG1-CB 4.08Å; I559-F751 HydrophobicContact CG1-CD1 4.02Å; I559-F751 HydrophobicContact CG1-CG 4.38Å; I559-E752 CarbonylContact C-O 3.56Å; I559-E752 WeakPolarHBondContact CA-O 3.44Å; I559-V753 HydrophobicContact CD1-CG2 4.09Å; I559-V753 HydrophobicContact CG1-CG2 4.12Å; I559-L785 HydrophobicContact CD1-CD1 4.19Å; I559-I815 HydrophobicContact CD1-CG2 4.25Å; I559-I816 HydrophobicContact CG1-CG1 4.5Å; I559-I816 HydrophobicContact CG2-CB 4.3Å; I559-I816 HydrophobicContact CG2-CG1 4.01Å; I559-I816 HydrophobicContact CG2-CG2 4.05Å; I559-A819 HydrophobicContact CB-CB 4.14Å; I559-A819 HydrophobicContact CD1-CB 3.95Å; I559-A819 HydrophobicContact CG2-CB 3.63Å
560	K	93.3	Very high	75.9	Confident	64 Å²	64	49.9 Å²	49.9	28%	0.278	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	123.5	-179.3	168.2	-155.2	177.1	-164.9	0	109.3	I562 D678 R679 F751 E752	K560-I562 HydrophobicContact CD-CD1 4.38Å; K560-I562 HydrophobicContact CD-CG1 4.3Å; K560-I562 HydrophobicContact CG-CG1 4.37Å; K560-D678 CarbonylContact C-O 3.59Å; K560-D678 WeakPolarHBondContact CA-O 3.28Å; K560-R679 HydrophobicContact CB-CB 4.35Å; K560-R679 HydrophobicContact CB-CG 4.12Å; K560-F751 CarbonylContact O-C 3.56Å; K560-F751 VanDerWaalsContact O-CA 3.23Å; K560-F751 WeakPolarHBondContact O-CA 3.33Å; K560-E752 HydrophobicContact CB-CB 4.29Å; K560-E752 HydrophobicContact CD-CB 4.13Å; K560-E752 HydrophobicContact CD-CG 4.31Å; K560-E752 WeakPolarHBondContact CD-OE1 3.48Å; K560-E752 WeakPolarHBondContact CE-OE1 3.4Å; K560-E752 PolarHBondContact N-O 3.39Å; K560-E752 IonicContact NZ-OE1 3.39Å; K560-E752 PolarHBondContact NZ-OE1 3.09Å; K560-E752 IonicContact NZ-OE2 2.97Å; K560-E752 PolarHBondContact NZ-OE2 3Å; K560-E752 PolarHBondContact O-N 3.23Å
561	Y	90.1	Very high	72.8	Confident	15 Å²	15	54.7 Å²	54.7	6%	0.059	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	134.4	172.8	179.6	-124.4	0	0	0	110.4	P563 D678 G749 H750 F751 A812	Y561-P563 HydrophobicContact CE1-CB 3.86Å; Y561-D678 PolarHBondContact N-O 2.84Å; Y561-G749 PolarHBondContact OH-N 2.84Å; Y561-H750 WeakPolarHBondContact CD2-O 3.25Å; Y561-F751 AromaticContact CD2-CD1 3.95Å; Y561-F751 HydrophobicContact CD2-CD1 3.95Å; Y561-F751 AromaticContact CD2-CE1 3.55Å; Y561-F751 HydrophobicContact CD2-CE1 3.55Å; Y561-F751 HydrophobicContact CD2-CE2 4.37Å; Y561-F751 HydrophobicContact CD2-CG 4.5Å; Y561-F751 AromaticContact CD2-CZ 3.78Å; Y561-F751 HydrophobicContact CD2-CZ 3.78Å; Y561-F751 HydrophobicContact CE2-CZ 4.36Å; Y561-F751 HydrophobicContact CG-CD1 4.39Å; Y561-F751 HydrophobicContact CG-CE1 4.01Å; Y561-A812 HydrophobicContact CD1-CB 3.73Å; Y561-A812 HydrophobicContact CD2-CB 3.74Å; Y561-A812 HydrophobicContact CE1-CB 3.89Å; Y561-A812 HydrophobicContact CE2-CB 3.9Å; Y561-A812 HydrophobicContact CG-CB 3.66Å
562	I	88.6	Confident	69.8	Low	41 Å²	41	60 Å²	60	21%	0.21	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	101.2	176.6	-58.7	172.2	0	0	0	106.8	K560 G749 H750 E752	K560-I562 HydrophobicContact CD-CD1 4.38Å; K560-I562 HydrophobicContact CD-CG1 4.3Å; K560-I562 HydrophobicContact CG-CG1 4.37Å; I562-G749 WeakPolarHBondContact O-CA 3.47Å; I562-H750 WeakPolarHBondContact CD1-NE2 3.38Å; I562-H750 WeakPolarHBondContact CG2-CE1 3.37Å; I562-H750 PolarHBondContact N-O 2.84Å; I562-H750 PolarHBondContact O-N 2.91Å; I562-E752 HydrophobicContact CD1-CB 3.99Å
563	P	82.3	Confident	66.6	Low	65 Å²	65	63.8 Å²	63.8	42%	0.422	41%	0.405	S	S	.	.			trans	-65.4	150.6	-178.3	27.7	-34.5	0	0	0	111	Y561 S565	Y561-P563 HydrophobicContact CE1-CB 3.86Å; P563-S565 PolarHBondContact O-N 3.09Å
564	H	70.9	Confident	63.5	Low	78 Å²	78	65.8 Å²	65.8	36%	0.361	43%	0.428	S	S	.	.			trans	-68.9	123.1	173.7	-171	59	0	0	0	110.1	S566 S744	H564-S566 PolarHBondContact O-N 2.79Å; H564-S744 WeakPolarHBondContact NE2-CB 3.46Å
565	S	58	Low	60.2	Low	104 Å²	104	74.8 Å²	74.8	73%	0.727	47%	0.47	S	S	*	.			trans	-74.1	92.9	177.5	42.1	0	0	0	0	110.8	P563 A567	P563-S565 PolarHBondContact O-N 3.09Å; S565-A567 PolarHBondContact O-N 3.42Å
566	S	42.9	Very low	57	Low	71 Å²	71	80.6 Å²	80.6	50%	0.497	51%	0.506	S	S	.	.			trans	-62.5	119.3	168.1	48.5	0	0	0	0	110.1	H564 T568	H564-S566 PolarHBondContact O-N 2.79Å; S566-T568 PolarHBondContact O-N 2.87Å
567	A	34.7	Very low	53.6	Low	96 Å²	96	87.9 Å²	87.9	79%	0.793	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	62	-178.4	0	0	0	0	0	112.7	S565	S565-A567 PolarHBondContact O-N 3.42Å
568	T	31.4	Very low	50.3	Low	125 Å²	125	99 Å²	99	77%	0.767	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148.8	-7.4	-177.2	11.4	0	0	0	0	115.6	S566	S566-T568 PolarHBondContact O-N 2.87Å
569	E	29	Very low	47	Very low	178 Å²	178	106.1 Å²	106.1	83%	0.832	62%	0.623	S	S	*	*	S	Bend	trans	-130.5	13.3	-168.6	-126.9	173.6	-151.7	0	0	115.9
570	S	28.7	Very low	43.7	Very low	101 Å²	101	110.3 Å²	110.3	71%	0.706	66%	0.658	S	S	*	*			trans	-126.9	23.8	180	57.7	0	0	0	0	115.2	S572	S570-S572 PolarHBondContact O-N 2.89Å
571	A	27.8	Very low	40.5	Very low	108 Å²	108	115.3 Å²	115.3	89%	0.893	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	33	174	0	0	0	0	0	113.9
572	S	30.9	Very low	37.4	Very low	113 Å²	113	125.9 Å²	125.9	79%	0.79	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-158.4	31.7	-175.8	56.5	0	0	0	0	115.5	S570	S570-S572 PolarHBondContact O-N 2.89Å
573	A	26.3	Very low	34.5	Very low	81 Å²	81	130.2 Å²	130.2	67%	0.669	76%	0.759	S	S	*	*			trans	-145.6	97.2	168.9	0	0	0	0	0	112.1	E575	A573-E575 PolarHBondContact O-N 3.19Å
574	S	29.3	Very low	31.7	Very low	129 Å²	129	132.9 Å²	132.9	90%	0.902	78%	0.779	S	S	*	*			trans	-90.5	79.5	172.9	-64.3	0	0	0	0	110.8
575	E	26.1	Very low	29.5	Very low	190 Å²	190	135.8 Å²	135.8	89%	0.888	80%	0.802	S	S	*	*			trans	-83.4	132.6	172.6	-68.2	-152.8	131.2	0	0	111.8	A573	A573-E575 PolarHBondContact O-N 3.19Å
576	T	26.8	Very low	28	Very low	127 Å²	127	135.9 Å²	135.9	78%	0.779	80%	0.803	S	S	*	*			trans	-86	119.4	-169	-57.9	0	0	0	0	111.2	R578	T576-R578 PolarHBondContact O-N 2.79Å
577	L	24.6	Very low	27.3	Very low	155 Å²	155	141.3 Å²	141.3	81%	0.812	82%	0.821	S	S	*	*			trans	-67.8	92.8	176.4	-153.1	87.5	0	0	0	111	N579	L577-N579 PolarHBondContact O-N 2.8Å
578	R	25.2	Very low	26.8	Very low	232 Å²	232	140.6 Å²	140.6	88%	0.875	81%	0.814	S	S	*	*			trans	-76.3	102.7	174.2	-90.1	-167	170.9	-157.8	-0.9	110.8	T576 A580	T576-R578 PolarHBondContact O-N 2.79Å; R578-A580 PolarHBondContact O-N 2.99Å
579	N	25.3	Very low	26.4	Very low	154 Å²	154	138.5 Å²	138.5	82%	0.824	81%	0.81	S	S	*	*			trans	-56.1	117	167.7	-71.2	-38.1	0	0	0	110.9	L577	L577-N579 PolarHBondContact O-N 2.8Å
580	A	25	Very low	26.2	Very low	90 Å²	90	140.8 Å²	140.8	74%	0.744	81%	0.811	S	S	*	*			trans	-123.3	75.5	176.5	0	0	0	0	0	110.3	R578	R578-A580 PolarHBondContact O-N 2.99Å
581	N	26	Very low	26	Very low	168 Å²	168	141.9 Å²	141.9	90%	0.898	81%	0.813	S	S	*	*			trans	-154.9	87	165.3	-105.4	-30.1	0	0	0	111
582	R	24.8	Very low	25.7	Very low	237 Å²	237	143.6 Å²	143.6	89%	0.894	80%	0.803	S	S	*	*			trans	-146.6	117.1	162.6	-107.2	-170.9	175.6	-165.3	-1.4	108.1
583	P	28.1	Very low	25.4	Very low	133 Å²	133	144.8 Å²	144.8	86%	0.864	80%	0.799	S	S	*	*			trans	-71.9	136.6	169	30.2	-32.3	0	0	0	109.3
584	S	23.6	Very low	25.2	Very low	120 Å²	120	148.3 Å²	148.3	84%	0.839	80%	0.801	S	S	*	*			trans	-124.6	130.6	170.8	55.3	0	0	0	0	109.4
585	T	24.4	Very low	24.9	Very low	139 Å²	139	150 Å²	150	85%	0.853	80%	0.795	S	S	*	*			trans	-92.9	-174.2	-163.6	0.2	0	0	0	0	113.3
586	S	27.4	Very low	24.8	Very low	107 Å²	107	146.5 Å²	146.5	75%	0.748	79%	0.791	S	S	*	*			trans	87.4	141.4	172.9	82.5	0	0	0	0	115
587	Q	27.5	Very low	24.6	Very low	185 Å²	185	147.9 Å²	147.9	86%	0.864	79%	0.794	S	S	*	*			cis	-161.1	167.1	-5.5	-124.2	-174.3	111.6	0	0	108.2
588	A	24.7	Very low	24.6	Very low	80 Å²	80	143.6 Å²	143.6	66%	0.661	79%	0.788	S	S	*	*			cis	-156.6	-157.8	0	0	0	0	0	0	107.4
589	A	23.4	Very low	24.6	Very low	82 Å²	82	141.3 Å²	141.3	68%	0.678	78%	0.784	S	S	*	*			cis	-162.5	142.8	-5.7	0	0	0	0	0	110
590	R	24.3	Very low	24.6	Very low	225 Å²	225	142.8 Å²	142.8	85%	0.849	78%	0.778	S	S	*	*			trans	61.9	150.8	158	-69.3	176.4	157.4	149.9	-4.4	117.6
591	V	24.4	Very low	24.7	Very low	124 Å²	124	145.2 Å²	145.2	75%	0.752	77%	0.774	S	S	*	*			cis	-134.9	132	20.5	174.3	0	0	0	0	107.4
592	E	22.8	Very low	24.8	Very low	145 Å²	145	143.4 Å²	143.4	68%	0.678	76%	0.76	S	S	*	*				82.8	139.7	66.2	-131	172.1	-106	0	0	115.4
593	I	23.8	Very low	24.9	Very low	137 Å²	137	137.8 Å²	137.8	70%	0.703	75%	0.747	S	S	*	*			trans	82.4	92	163.6	-50.6	-178.3	0	0	0	121
594	Q	22.6	Very low	24.8	Very low	155 Å²	155	138.4 Å²	138.4	72%	0.724	74%	0.744	S	S	*	*				71.1	131	108.7	-149.4	166.1	-13.4	0	0	125.3
595	E	22.6	Very low	25.2	Very low	166 Å²	166	141.2 Å²	141.2	78%	0.776	74%	0.744	S	S	*	*			trans	24.7	138.2	151.7	-59.8	173.6	116.9	0	0	124.6
596	S	24.1	Very low	26.2	Very low	115 Å²	115	139.1 Å²	139.1	80%	0.804	73%	0.732	S	S	*	*				-169.1	151.7	123.2	-174.4	0	0	0	0	115
597	N	22.8	Very low	26.1	Very low	156 Å²	156	140.6 Å²	140.6	83%	0.834	74%	0.736	S	S	*	*			trans	-59	167.7	156.1	-62.9	-81.1	0	0	0	112.3
598	G	23.3	Very low	26	Very low	66 Å²	66	138.7 Å²	138.7	68%	0.68	73%	0.732	S	S	*	*			cis	139.5	156.5	-4.2	0	0	0	0	0	113.8
599	K	25.9	Very low	26	Very low	183 Å²	183	138.9 Å²	138.9	80%	0.796	73%	0.729	S	S	*	*			trans	77.8	124.9	170.3	-65.3	176.6	-179	169.4	0	120.5
600	R	25.1	Very low	26	Very low	185 Å²	185	143 Å²	143	70%	0.698	73%	0.734	S	S	*	*				65.9	160	128.2	-59.7	176.8	179.1	-174.9	-5.9	118.6
601	H	27.7	Very low	25.9	Very low	142 Å²	142	141.1 Å²	141.1	66%	0.657	73%	0.728	S	S	*	*			cis	-128.5	149.5	17.9	-87.3	-89.6	0	0	0	111.1
602	Q	27.3	Very low	25.9	Very low	129 Å²	129	142.4 Å²	142.4	60%	0.603	72%	0.724	S	S	*	*				56.8	139.3	77.2	-57.7	-167.8	-95.9	0	0	115.7
603	D	27.8	Very low	25.8	Very low	119 Å²	119	143.1 Å²	143.1	64%	0.636	73%	0.727	S	S	*	*			cis	-145.2	-142.7	-25.5	-88.9	-36.4	0	0	0	105.8
604	D	26.5	Very low	25.7	Very low	146 Å²	146	142 Å²	142	78%	0.781	73%	0.727	S	S	*	*			cis	-153.8	122.8	5.9	-68.1	-85.8	0	0	0	107
605	E	31	Very low	25.7	Very low	180 Å²	180	140 Å²	140	84%	0.841	73%	0.725	S	S	*	*				98.8	174.6	90.4	-127.8	-146.1	-172.3	0	0	113.7
606	P	44.5	Very low	25.8	Very low	95 Å²	95	138 Å²	138	62%	0.617	73%	0.73	S	S	*	*				-129.9	-174.8	-105.6	43.4	-27.6	0	0	0	116.3
607	V	27.3	Very low	25.7	Very low	137 Å²	137	138.3 Å²	138.3	83%	0.83	73%	0.727	S	S	*	*				-173	152.2	129.7	139.7	0	0	0	0	113.2
608	N	23.6	Very low	25.8	Very low	146 Å²	146	138.4 Å²	138.4	78%	0.781	73%	0.728	S	S	*	*			trans	-39	170.4	170.5	-78	-22.9	0	0	0	118.8
609	S	25.5	Very low	25.8	Very low	84 Å²	84	143.7 Å²	143.7	59%	0.587	74%	0.739	S	S	*	*			cis	175.9	164	-26.3	66	0	0	0	0	110.1
610	Q	23.6	Very low	25.7	Very low	168 Å²	168	139.7 Å²	139.7	79%	0.785	73%	0.734	S	S	*	*			trans	73.7	113.4	158.2	-64	-171.4	3.9	0	0	121.4
611	Y	22	Very low	25.7	Very low	185 Å²	185	138.3 Å²	138.3	73%	0.725	74%	0.74	S	S	*	*				73.4	141.4	125.8	-86.5	-79	0	0	0	126
612	F	23.3	Very low	25.5	Very low	151 Å²	151	135.7 Å²	135.7	66%	0.662	74%	0.737	S	S	*	*			trans	72	120.5	150.1	-69.2	-54.4	0	0	0	123
613	Q	22.3	Very low	25.4	Very low	161 Å²	161	137.6 Å²	137.6	75%	0.752	75%	0.752	S	S	*	*			trans	65.3	160.5	134.3	-67.8	167.3	-9.2	0	0	117.1
614	T	21.6	Very low	25.3	Very low	113 Å²	113	141.5 Å²	141.5	69%	0.693	76%	0.763	S	S	*	*			cis	-157.5	166.2	27.8	-27.7	0	0	0	0	111.9
615	T	22.1	Very low	25.3	Very low	113 Å²	113	142.9 Å²	142.9	69%	0.693	77%	0.769	S	S	*	*			trans	8.7	133.4	154.4	50.5	0	0	0	0	121.6
616	S	24.5	Very low	24.9	Very low	125 Å²	125	145.2 Å²	145.2	87%	0.874	77%	0.77	S	S	*	*			trans	-101.7	103.1	152.2	58.2	0	0	0	0	111.2
617	T	23	Very low	24	Very low	120 Å²	120	148.8 Å²	148.8	74%	0.736	78%	0.782	S	S	*	*			trans	-84.5	160.6	174.1	39.3	0	0	0	0	113.1
618	N	23.2	Very low	23.8	Very low	159 Å²	159	149.8 Å²	149.8	85%	0.85	78%	0.782	S	S	*	*			trans	-47.7	142.4	177.6	-56.6	-72.4	0	0	0	114.4
619	L	24.2	Very low	23.9	Very low	177 Å²	177	152 Å²	152	93%	0.927	79%	0.787	S	S	*	*			trans	-137.2	141.7	147.6	-101.2	169.3	0	0	0	109.2
620	S	24.1	Very low	23.8	Very low	98 Å²	98	151.6 Å²	151.6	69%	0.685	80%	0.796	S	S	*	*			trans	-124.8	-174.8	-178.7	64.3	0	0	0	0	110.2
621	L	24.8	Very low	24.2	Very low	157 Å²	157	148.9 Å²	148.9	82%	0.822	79%	0.793	S	S	*	*			trans	82.9	137.4	-173.1	-50.5	159.1	0	0	0	112.9
622	S	24.1	Very low	24.4	Very low	86 Å²	86	148.8 Å²	148.8	60%	0.601	80%	0.799	S	S	*	*			cis	-162.1	150.1	-9	-100.3	0	0	0	0	110.2
623	N	25.3	Very low	24.5	Very low	170 Å²	170	146 Å²	146	91%	0.909	80%	0.804	S	S	*	*				-169.8	146	120.6	-96.2	-28.2	0	0	0	112.2
624	K	24.7	Very low	24.5	Very low	201 Å²	201	145.6 Å²	145.6	87%	0.874	81%	0.807	S	S	*	*			trans	-115.7	131.6	-179.8	-66.7	171.1	179.6	168.2	0	109.9
625	I	25.6	Very low	25.4	Very low	174 Å²	174	145.9 Å²	145.9	89%	0.892	81%	0.811	S	S	*	*			trans	-129.9	137.4	147.9	-63.2	-175.5	0	0	0	107.3
626	R	24.4	Very low	25.4	Very low	229 Å²	229	147.7 Å²	147.7	86%	0.864	82%	0.822	S	S	*	*			trans	-86.6	139.3	177.5	-69.1	173.4	171.7	159.7	-5.8	109.7
627	I	24.3	Very low	25.3	Very low	171 Å²	171	145.5 Å²	145.5	88%	0.877	81%	0.811	S	S	*	*			trans	-93.1	139.5	157.1	-63.6	175.8	0	0	0	107.5
628	L	24.6	Very low	25.5	Very low	157 Å²	157	146.2 Å²	146.2	82%	0.822	82%	0.815	S	S	*	*			trans	-114.7	160.9	176.5	-148.5	102.5	0	0	0	110.1
629	Q	24.4	Very low	25.9	Very low	193 Å²	193	144.5 Å²	144.5	90%	0.902	81%	0.812	S	S	*	*			trans	-80.8	154.4	-172	-62.9	166.4	-36.6	0	0	113.4
630	G	24.6	Very low	26	Very low	75 Å²	75	144.8 Å²	144.8	77%	0.773	81%	0.809	S	S	*	*			trans	174.1	113.9	167.9	0	0	0	0	0	113.9
631	P	31.9	Very low	26.3	Very low	112 Å²	112	146.3 Å²	146.3	73%	0.727	82%	0.816	S	S	*	*			trans	-115.8	169.6	-176.6	40.7	-32.9	0	0	0	116
632	H	25	Very low	26.3	Very low	182 Å²	182	142.5 Å²	142.5	84%	0.843	82%	0.815	S	S	*	*			trans	69.8	118.4	161.7	-66.5	-65.1	0	0	0	121.8
633	A	25	Very low	26.5	Very low	93 Å²	93	142.8 Å²	142.8	77%	0.769	82%	0.823	S	S	*	*				-163.1	145	127.6	0	0	0	0	0	111
634	N	24.1	Very low	26.6	Very low	153 Å²	153	140 Å²	140	82%	0.818	82%	0.816	S	S	*	*			trans	-117.4	-156.1	173.9	-69.7	-19.2	0	0	0	110
635	P	40.1	Very low	26.8	Very low	119 Å²	119	135.8 Å²	135.8	77%	0.773	81%	0.808	S	S	*	*				-130.8	155.7	-95	40.7	-24.3	0	0	0	116.2
636	V	22.1	Very low	26.8	Very low	151 Å²	151	136.8 Å²	136.8	92%	0.915	81%	0.809	S	S	*	*			trans	-153.7	158.8	167.9	-168	0	0	0	0	109.6
637	A	21.2	Very low	26.8	Very low	79 Å²	79	131.2 Å²	131.2	65%	0.653	80%	0.8	S	S	*	*				-164.5	145.7	-63.3	0	0	0	0	0	110.4
638	V	27.1	Very low	27.1	Very low	135 Å²	135	133.1 Å²	133.1	82%	0.818	80%	0.802	S	S	*	*			trans	41.7	123.4	134.7	179.9	0	0	0	0	118.2
639	P	31.3	Very low	27	Very low	122 Å²	122	128.8 Å²	128.8	79%	0.792	80%	0.795	S	S	*	*				-149.5	157.1	76.9	39.1	-20.1	0	0	0	120
640	Q	27.5	Very low	27.1	Very low	184 Å²	184	128.1 Å²	128.1	86%	0.86	80%	0.796	S	S	*	*			trans	-99.3	165.7	154.2	-66.9	-174.9	-10.9	0	0	110.4
641	P	29.8	Very low	27.4	Very low	129 Å²	129	133.7 Å²	133.7	84%	0.838	80%	0.799	S	S	*	*			trans	-108.4	146.8	153.4	35.4	-26.2	0	0	0	112.7
642	G	24.3	Very low	27.8	Very low	78 Å²	78	134.6 Å²	134.6	80%	0.804	81%	0.805	S	S	*	*			trans	-176.3	145.8	170.8	0	0	0	0	0	115.6
643	A	28.5	Very low	27.7	Very low	92 Å²	92	129.8 Å²	129.8	76%	0.76	80%	0.804	S	S	*	*			trans	-166.3	143.6	168.2	0	0	0	0	0	108.6
644	S	27.4	Very low	27.7	Very low	110 Å²	110	133.8 Å²	133.8	77%	0.769	81%	0.809	S	S	*	*			cis	83.2	138.6	13.4	101.4	0	0	0	0	114.8
645	V	29.1	Very low	28.7	Very low	114 Å²	114	131.2 Å²	131.2	69%	0.691	80%	0.801	S	S	*	*			cis	-149.4	145.2	-4	-176	0	0	0	0	109.2
646	Q	25.2	Very low	27.9	Very low	195 Å²	195	130.4 Å²	130.4	91%	0.911	80%	0.798	S	S	*	*			trans	-161.3	165.3	146.3	-115.5	166.1	73.9	0	0	116.6
647	T	26.2	Very low	28.1	Very low	111 Å²	111	130.2 Å²	130.2	68%	0.681	79%	0.79	S	S	*	*			trans	-155	173.4	-154.8	45.9	0	0	0	0	115.1
648	K	29.1	Very low	28.3	Very low	211 Å²	211	135 Å²	135	92%	0.917	80%	0.797	S	S	*	*			trans	83.2	149.7	176.4	-52.7	171	-179.9	175.3	0	115.3
649	G	23.7	Very low	28.2	Very low	67 Å²	67	135.2 Å²	135.2	69%	0.691	79%	0.793	S	S	*	*			cis	161	166.1	-11.2	0	0	0	0	0	114.7
650	I	26	Very low	27.9	Very low	179 Å²	179	139.8 Å²	139.8	92%	0.918	80%	0.795	S	S	*	*			trans	87	150.4	166	-56.8	170.1	0	0	0	117.6
651	K	31.2	Very low	27.8	Very low	192 Å²	192	142.2 Å²	142.2	84%	0.835	80%	0.796	S	S	*	*			trans	-112.9	-165.2	-174.7	-68.2	-174.3	176.4	-179.6	0	109.6
652	P	39.2	Very low	27.6	Very low	131 Å²	131	140.6 Å²	140.6	85%	0.851	79%	0.794	S	S	*	*			cis	-140.9	-170.4	1.4	44.7	-24.9	0	0	0	116.5
653	G	23.2	Very low	27.6	Very low	80 Å²	80	143.8 Å²	143.8	83%	0.825	79%	0.792	S	S	*	*			trans	151.5	121.3	160.3	0	0	0	0	0	116.9
654	M	24.8	Very low	27.5	Very low	178 Å²	178	146.2 Å²	146.2	88%	0.877	80%	0.798	S	S	*	*			trans	-140.5	179.1	168.2	-118.3	-166.2	93.9	0	0	107
655	P	44.8	Very low	27.4	Very low	99 Å²	99	148.7 Å²	148.7	64%	0.643	80%	0.803	S	S	*	*			cis	-139.2	-160.3	13.9	43.5	-23.5	0	0	0	115.6
656	S	24.7	Very low	27.3	Very low	101 Å²	101	148 Å²	148	71%	0.706	81%	0.808	S	S	*	*			trans	85.9	157.9	156.3	81.5	0	0	0	0	119.3
657	I	26.7	Very low	27.4	Very low	148 Å²	148	144.2 Å²	144.2	76%	0.759	80%	0.804	S	S	*	*				-164.4	137.3	-55.3	-112.4	163.1	0	0	0	108.8
658	F	25.3	Very low	27.5	Very low	180 Å²	180	147.4 Å²	147.4	79%	0.789	82%	0.816	S	S	*	*			trans	40.4	119.8	163.9	-77.8	-111.8	0	0	0	121.3
659	N	24.4	Very low	27.6	Very low	139 Å²	139	146.5 Å²	146.5	74%	0.743	82%	0.815	S	S	*	*				-167.6	144.6	103.1	-111.9	-68.4	0	0	0	117.5
660	R	24.1	Very low	27.7	Very low	218 Å²	218	146.5 Å²	146.5	82%	0.823	82%	0.815	S	S	*	*			trans	53.3	95.9	139.2	-161.2	173.4	-67.2	-162.2	-1.8	122.1
661	R	27.2	Very low	28.1	Very low	234 Å²	234	147.8 Å²	147.8	88%	0.883	81%	0.814	S	S	*	*				36	117.9	127.7	-177.8	-167.7	-83.6	-174.4	-5.7	119.2
662	A	24.1	Very low	28.2	Very low	96 Å²	96	143.1 Å²	143.1	79%	0.793	81%	0.811	S	S	*	*			trans	-143.2	145.2	142.4	0	0	0	0	0	110
663	N	25.3	Very low	28.1	Very low	145 Å²	145	148.2 Å²	148.2	78%	0.775	81%	0.814	S	S	*	*			trans	-103.8	135.7	174.7	-81.9	10.2	0	0	0	110.1
664	T	26.3	Very low	29	Very low	142 Å²	142	154 Å²	154	87%	0.871	82%	0.816	S	S	*	*			trans	-148.4	118.9	154.4	4.7	0	0	0	0	111.4	A666	T664-A666 PolarHBondContact O-N 2.67Å
665	N	24.2	Very low	30	Very low	163 Å²	163	152 Å²	152	87%	0.872	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-46.1	124.7	-172.7	-52.6	-25	0	0	0	115.1
666	A	27.1	Very low	30.6	Very low	98 Å²	98	150.7 Å²	150.7	81%	0.81	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-90.1	140.6	157.8	0	0	0	0	0	109.8	T664	T664-A666 PolarHBondContact O-N 2.67Å
667	S	27.6	Very low	32.6	Very low	117 Å²	117	149.6 Å²	149.6	82%	0.818	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-75.3	139.8	-176.7	45.9	0	0	0	0	112.7	Q669	S667-Q669 VanDerWaalsContact C-N 3.35Å; S667-Q669 PolarHBondContact O-N 2.73Å
668	L	29.2	Very low	35.3	Very low	178 Å²	178	145 Å²	145	93%	0.932	77%	0.77	S	S	*	*			trans	-73.5	82.4	177.3	-81.9	157.8	0	0	0	111.2	G670	L668-G670 VanDerWaalsContact C-N 3.29Å; L668-G670 PolarHBondContact O-N 3.07Å
669	Q	29.8	Very low	38.4	Very low	191 Å²	191	142.2 Å²	142.2	89%	0.893	76%	0.755	S	S	*	*			trans	-74.4	88.4	164.7	-153.7	175.3	33.9	0	0	108.8	S667 K671	S667-Q669 VanDerWaalsContact C-N 3.35Å; S667-Q669 PolarHBondContact O-N 2.73Å; Q669-K671 PolarHBondContact O-N 3.33Å
670	G	27.6	Very low	41.8	Very low	68 Å²	68	137.8 Å²	137.8	70%	0.701	73%	0.728	S	S	*	*			trans	-59	119.2	-174.9	0	0	0	0	0	111.9	L668 A672	L668-G670 VanDerWaalsContact C-N 3.29Å; L668-G670 PolarHBondContact O-N 3.07Å; G670-A672 PolarHBondContact O-N 2.97Å
671	K	34.3	Very low	45.1	Very low	205 Å²	205	129.1 Å²	129.1	89%	0.891	70%	0.696	S	S	*	*			trans	-59.7	109.7	170	-72.9	-175.4	177.1	-179	0	108.7	Q669 R673	Q669-K671 PolarHBondContact O-N 3.33Å; K671-R673 PolarHBondContact O-N 3.22Å; K671-R673 VanDerWaalsContact O-N 3.09Å
672	A	32.3	Very low	48.3	Very low	95 Å²	95	118 Å²	118	79%	0.785	66%	0.655	S	S	*	*			trans	-54.8	118.4	170.8	0	0	0	0	0	108.8	G670 K674	G670-A672 PolarHBondContact O-N 2.97Å; A672-K674 PolarHBondContact O-N 3.16Å; A672-K674 VanDerWaalsContact O-N 3.1Å
673	R	37.1	Very low	51.6	Low	237 Å²	237	117.6 Å²	117.6	89%	0.894	64%	0.636	S	S	*	*			trans	-60	116.3	169.2	-81.8	178.4	165.9	167.6	-5.3	106.7	K671 T675	K671-R673 PolarHBondContact O-N 3.22Å; K671-R673 VanDerWaalsContact O-N 3.09Å; R673-T675 PolarHBondContact O-N 3Å
674	K	42.8	Very low	54.8	Low	201 Å²	201	111.8 Å²	111.8	87%	0.874	61%	0.605	S	S	*	*			trans	-57.6	111.8	165	-82	-171.1	173.8	-174.5	0	107.1	A672 I676	A672-K674 PolarHBondContact O-N 3.16Å; A672-K674 VanDerWaalsContact O-N 3.1Å; K674-I676 PolarHBondContact O-N 3.48Å; K674-I676 VanDerWaalsContact O-N 3.07Å
675	T	45.7	Very low	58	Low	138 Å²	138	105.6 Å²	105.6	85%	0.847	57%	0.566	S	S	*	*			trans	-63.8	109.3	167.7	-44.7	0	0	0	0	106.8	R673 S677	R673-T675 PolarHBondContact O-N 3Å; T675-S677 PolarHBondContact O-N 2.91Å
676	I	56.4	Low	61.3	Low	70 Å²	70	104.5 Å²	104.5	36%	0.359	55%	0.549	S	S	.	.			trans	-63.2	125.6	172.3	-64.1	174.6	0	0	0	106.3	K674 D678 R809	K674-I676 PolarHBondContact O-N 3.48Å; K674-I676 VanDerWaalsContact O-N 3.07Å; I676-D678 PolarHBondContact O-N 2.88Å; I676-R809 WeakPolarHBondContact CD1-O 3.37Å
677	S	68.3	Low	64.4	Low	78 Å²	78	105.5 Å²	105.5	55%	0.545	54%	0.537	S	S	.	.			trans	-74.1	114.9	172.5	-173	0	0	0	0	107.6	T675 R679	T675-S677 PolarHBondContact O-N 2.91Å; S677-R679 WeakPolarHBondContact CB-O 3.31Å; S677-R679 PolarHBondContact O-N 2.98Å; S677-R679 PolarHBondContact OG-O 2.87Å
678	D	82.6	Confident	67.5	Low	52 Å²	52	103.8 Å²	103.8	28%	0.278	52%	0.515	S	S	.	.	S	Bend	trans	-67.6	8.1	175.4	-66.6	-41.9	0	0	0	112.2	K560 Y561 I676 R809	K560-D678 CarbonylContact C-O 3.59Å; K560-D678 WeakPolarHBondContact CA-O 3.28Å; Y561-D678 PolarHBondContact N-O 2.84Å; I676-D678 PolarHBondContact O-N 2.88Å; D678-R809 VanDerWaalsContact CG-NH1 3.31Å; D678-R809 IonicContact OD1-NH1 3.56Å; D678-R809 PolarHBondContact OD1-NH1 3.14Å; D678-R809 IonicContact OD2-CZ 3.64Å; D678-R809 IonicContact OD2-NH1 3.69Å; D678-R809 PolarHBondContact OD2-NH1 2.86Å
679	R	91.2	Very high	70.5	Confident	121 Å²	121	98.2 Å²	98.2	46%	0.457	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	150.8	177.8	-178.8	175.6	-179.5	162.6	2.9	112.9	I559 K560 S677 E681	I559-R679 CarbonylContact O-C 3.54Å; I559-R679 VanDerWaalsContact O-CA 3.31Å; I559-R679 WeakPolarHBondContact O-CA 3.36Å; I559-R679 WeakPolarHBondContact O-CG 3.3Å; K560-R679 HydrophobicContact CB-CB 4.35Å; K560-R679 HydrophobicContact CB-CG 4.12Å; S677-R679 WeakPolarHBondContact CB-O 3.31Å; S677-R679 PolarHBondContact O-N 2.98Å; S677-R679 PolarHBondContact OG-O 2.87Å; R679-E681 IonicContact CZ-OE1 3.47Å; R679-E681 IonicContact NE-OE1 3.06Å; R679-E681 IonicContact NH2-OE1 2.97Å; R679-E681 PolarHBondContact NH2-OE1 3.4Å
680	W	94.1	Very high	73.4	Confident	47 Å²	47	98 Å²	98	18%	0.178	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150.3	164.7	170	81.9	0	0	0	111	I556 A558 I559 I816 T820 D823	I556-W680 HydrophobicContact CG2-CZ3 4.45Å; A558-W680 WeakPolarHBondContact CA-O 3.03Å; A558-W680 WeakPolarHBondContact CB-O 3.44Å; I559-W680 HydrophobicContact CG2-CB 4.04Å; I559-W680 HydrophobicContact CG2-CE3 4.17Å; I559-W680 PolarHBondContact N-O 2.86Å; I559-W680 PolarHBondContact O-N 3.01Å; W680-I816 HydrophobicContact CB-CG2 4.04Å; W680-T820 HydrophobicContact CB-CG2 4.04Å; W680-T820 HydrophobicContact CD2-CG2 3.73Å; W680-T820 HydrophobicContact CG-CG2 3.47Å; W680-T820 VanDerWaalsContact CG-CG2 3.47Å; W680-D823 HydrophobicContact CH2-CB 3.85Å; W680-D823 HydrophobicContact CZ2-CB 3.73Å
681	E	94.4	Very high	76.4	Confident	36 Å²	36	97.7 Å²	97.7	17%	0.168	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	136.1	168.6	-63.7	-164.3	153.4	0	0	108.4	A558 R679 W685 K689	A558-E681 HydrophobicContact CB-CG 4.25Å; R679-E681 IonicContact CZ-OE1 3.47Å; R679-E681 IonicContact NE-OE1 3.06Å; R679-E681 IonicContact NH2-OE1 2.97Å; R679-E681 PolarHBondContact NH2-OE1 3.4Å; E681-W685 VanDerWaalsContact CD-CD1 3.49Å; E681-K689 IonicContact OE1-NZ 3.05Å; E681-K689 PolarHBondContact OE1-NZ 3.23Å; E681-K689 IonicContact OE2-NZ 3.29Å; E681-K689 PolarHBondContact OE2-NZ 2.93Å
682	S	94.4	Very high	79.2	Confident	1 Å²	1	89.6 Å²	89.6	1%	0.007	44%	0.442	C	S	.	.			trans	-75	163.4	172.2	76.9	0	0	0	0	112.4	T557 L684 W685 R686 D823	T557-S682 PolarHBondContact O-N 3.08Å; T557-S682 PolarHBondContact O-OG 2.95Å; S682-L684 VanDerWaalsContact C-N 3.3Å; S682-L684 PolarHBondContact OG-N 3.37Å; S682-W685 WeakPolarHBondContact O-CB 3.47Å; S682-W685 PolarHBondContact O-N 3.05Å; S682-W685 PolarHBondContact OG-N 2.82Å; S682-R686 PolarHBondContact O-N 3.5Å; S682-D823 WeakPolarHBondContact CB-OD1 3.23Å
683	Q	92.9	Very high	82.2	Confident	87 Å²	87	91.3 Å²	91.3	41%	0.407	44%	0.437	S	S	.	.	H	α-helix	trans	-65.5	-35.9	173.2	179.3	56.7	25.5	0	0	111.6	W685 R686 E687	Q683-W685 VanDerWaalsContact C-N 3.27Å; Q683-W685 PolarHBondContact O-N 2.96Å; Q683-R686 PolarHBondContact O-N 2.92Å; Q683-R686 VanDerWaalsContact O-N 3.16Å; Q683-E687 WeakPolarHBondContact CG-OE1 3.33Å; Q683-E687 PolarHBondContact NE2-OE1 2.89Å; Q683-E687 PolarHBondContact O-N 3.15Å
684	L	91.8	Very high	84.9	Confident	22 Å²	22	82.4 Å²	82.4	12%	0.115	41%	0.407	C	S	.	.	H	α-helix	trans	-59.8	-37.4	175.1	179.1	63.4	0	0	0	111.6	I555 T557 S682 R686 E687 K688 L756	I555-L684 HydrophobicContact CD1-CD2 4.06Å; I555-L684 HydrophobicContact CG2-CD2 4.39Å; T557-L684 HydrophobicContact CG2-CD2 4.24Å; S682-L684 VanDerWaalsContact C-N 3.3Å; S682-L684 PolarHBondContact OG-N 3.37Å; L684-R686 PolarHBondContact O-N 3.37Å; L684-E687 PolarHBondContact O-N 3.17Å; L684-K688 HydrophobicContact CD1-CG 3.81Å; L684-K688 HydrophobicContact CG-CG 4.45Å; L684-K688 WeakPolarHBondContact O-CB 3.23Å; L684-K688 WeakPolarHBondContact O-CG 3.2Å; L684-K688 PolarHBondContact O-N 3.01Å; L684-L756 HydrophobicContact CD2-CD2 4.11Å; L684-L756 HydrophobicContact CG-CD2 4.06Å
685	W	95.1	Very high	87.4	Confident	13 Å²	13	75 Å²	75	5%	0.049	38%	0.376	C	S	.	.	H	α-helix	trans	-61.1	-44.8	175.6	-168.6	-132.6	0	0	0	112.5	T557 E681 S682 Q683 E687 K688 K689 L692 H695 T754 A763	T557-W685 WeakPolarHBondContact O-CB 3.44Å; E681-W685 VanDerWaalsContact CD-CD1 3.49Å; S682-W685 WeakPolarHBondContact O-CB 3.47Å; S682-W685 PolarHBondContact O-N 3.05Å; S682-W685 PolarHBondContact OG-N 2.82Å; Q683-W685 VanDerWaalsContact C-N 3.27Å; Q683-W685 PolarHBondContact O-N 2.96Å; W685-E687 VanDerWaalsContact C-N 3.26Å; W685-E687 PolarHBondContact O-N 2.84Å; W685-K688 PolarHBondContact O-N 3.32Å; W685-K689 HydrophobicContact CD2-CB 3.9Å; W685-K689 HydrophobicContact CD2-CD 4.28Å; W685-K689 HydrophobicContact CE3-CB 4.05Å; W685-K689 HydrophobicContact CG-CD 4.24Å; W685-K689 HydrophobicContact CH2-CB 3.82Å; W685-K689 HydrophobicContact CZ2-CB 3.68Å; W685-K689 HydrophobicContact CZ2-CD 4.4Å; W685-K689 HydrophobicContact CZ3-CB 4.01Å; W685-K689 VanDerWaalsContact O-CB 3.25Å; W685-K689 WeakPolarHBondContact O-CB 3.17Å; W685-K689 WeakPolarHBondContact O-CD 3.47Å; W685-K689 VanDerWaalsContact O-CG 3.23Å; W685-K689 WeakPolarHBondContact O-CG 3.28Å; W685-K689 PolarHBondContact O-N 2.9Å; W685-L692 HydrophobicContact CH2-CD1 3.89Å; W685-L692 HydrophobicContact CZ3-CD1 4.02Å; W685-H695 AromaticContact CH2-CE1 3.49Å; W685-H695 VanDerWaalsContact CH2-CE1 3.49Å; W685-H695 WeakPolarHBondContact CH2-CE1 3.33Å; W685-H695 AromaticContact CH2-ND1 3.88Å; W685-H695 AromaticContact CZ2-CE1 3.63Å; W685-T754 HydrophobicContact CD2-CG2 4.48Å; W685-T754 HydrophobicContact CE3-CG2 4.22Å; W685-T754 HydrophobicContact CH2-CG2 3.73Å; W685-T754 HydrophobicContact CZ2-CG2 3.97Å; W685-T754 HydrophobicContact CZ3-CG2 3.84Å; W685-A763 HydrophobicContact CH2-CB 3.9Å; W685-A763 HydrophobicContact CZ3-CB 3.76Å
686	R	93.3	Very high	89.8	Confident	140 Å²	140	68.5 Å²	68.5	53%	0.528	34%	0.336	S	S	.	.	H	α-helix	trans	-63.7	-33.9	-178.3	-63.5	173.7	-179.9	-176.7	0.4	112.3	S682 Q683 L684	S682-R686 PolarHBondContact O-N 3.5Å; Q683-R686 PolarHBondContact O-N 2.92Å; Q683-R686 VanDerWaalsContact O-N 3.16Å; L684-R686 PolarHBondContact O-N 3.37Å
687	E	92.6	Very high	91.7	Very high	118 Å²	118	71.3 Å²	71.3	55%	0.551	35%	0.347	S	S	*	.	H	α-helix	trans	-78.5	-33.9	178.3	-69.7	165	-168.3	0	0	112.9	Q683 L684 W685	Q683-E687 WeakPolarHBondContact CG-OE1 3.33Å; Q683-E687 PolarHBondContact NE2-OE1 2.89Å; Q683-E687 PolarHBondContact O-N 3.15Å; L684-E687 PolarHBondContact O-N 3.17Å; W685-E687 VanDerWaalsContact C-N 3.26Å; W685-E687 PolarHBondContact O-N 2.84Å
688	K	92.6	Very high	92.9	Very high	82 Å²	82	69.5 Å²	69.5	36%	0.357	33%	0.329	S	S	.	.	H	α-helix	trans	-100.4	-28.3	-171.6	-66.4	-64.9	-173.4	176	0	115.8	L684 W685 F690 G691 L756 H760	L684-K688 HydrophobicContact CD1-CG 3.81Å; L684-K688 HydrophobicContact CG-CG 4.45Å; L684-K688 WeakPolarHBondContact O-CB 3.23Å; L684-K688 WeakPolarHBondContact O-CG 3.2Å; L684-K688 PolarHBondContact O-N 3.01Å; W685-K688 PolarHBondContact O-N 3.32Å; K688-F690 PolarHBondContact O-N 2.68Å; K688-G691 PolarHBondContact O-N 2.98Å; K688-L756 HydrophobicContact CB-CD2 4.13Å; K688-L756 HydrophobicContact CG-CD2 4.28Å; K688-H760 HydrophobicContact CD-CB 3.93Å; K688-H760 HydrophobicContact CG-CB 4.16Å
689	K	91.3	Very high	93.4	Very high	60 Å²	60	67.9 Å²	67.9	26%	0.261	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.5	-169.4	68	-168.9	179.3	-175.7	0	116.6	E681 W685	E681-K689 IonicContact OE1-NZ 3.05Å; E681-K689 PolarHBondContact OE1-NZ 3.23Å; E681-K689 IonicContact OE2-NZ 3.29Å; E681-K689 PolarHBondContact OE2-NZ 2.93Å; W685-K689 HydrophobicContact CD2-CB 3.9Å; W685-K689 HydrophobicContact CD2-CD 4.28Å; W685-K689 HydrophobicContact CE3-CB 4.05Å; W685-K689 HydrophobicContact CG-CD 4.24Å; W685-K689 HydrophobicContact CH2-CB 3.82Å; W685-K689 HydrophobicContact CZ2-CB 3.68Å; W685-K689 HydrophobicContact CZ2-CD 4.4Å; W685-K689 HydrophobicContact CZ3-CB 4.01Å; W685-K689 VanDerWaalsContact O-CB 3.25Å; W685-K689 WeakPolarHBondContact O-CB 3.17Å; W685-K689 WeakPolarHBondContact O-CD 3.47Å; W685-K689 VanDerWaalsContact O-CG 3.23Å; W685-K689 WeakPolarHBondContact O-CG 3.28Å; W685-K689 PolarHBondContact O-N 2.9Å
690	F	90.5	Very high	93.4	Very high	188 Å²	188	67.1 Å²	67.1	83%	0.825	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-2.8	176.7	-60.8	-65.5	0	0	0	114.1	K688	K688-F690 PolarHBondContact O-N 2.68Å
691	G	91.1	Very high	93.3	Very high	61 Å²	61	65.7 Å²	65.7	63%	0.629	32%	0.319	S	S	*	.	S	Bend	trans	-119.9	21	-179.5	0	0	0	0	0	113.7	K688	K688-G691 PolarHBondContact O-N 2.98Å
692	L	93.7	Very high	93.2	Very high	34 Å²	34	65.8 Å²	65.8	18%	0.178	32%	0.318	C	S	.	.			trans	-77	146.3	175.5	-59	176.5	0	0	0	110.9	W685 H695 L756 E761 A763	W685-L692 HydrophobicContact CH2-CD1 3.89Å; W685-L692 HydrophobicContact CZ3-CD1 4.02Å; L692-H695 HydrophobicContact CD1-CB 4.13Å; L692-L756 HydrophobicContact CD2-CD1 3.68Å; L692-E761 CarbonylContact C-O 3.59Å; L692-E761 WeakPolarHBondContact CA-O 3.42Å; L692-A763 HydrophobicContact CD1-CB 3.72Å; L692-A763 HydrophobicContact CD2-CB 4.49Å
693	I	94.5	Very high	92.9	Very high	131 Å²	131	67.7 Å²	67.7	67%	0.672	33%	0.331	S	S	*	.	S	Bend	trans	-79	-37.7	170.7	-58	-178.5	0	0	0	110.3	E761	I693-E761 HydrophobicContact CD1-CB 3.97Å; I693-E761 HydrophobicContact CD1-CG 4.1Å; I693-E761 HydrophobicContact CG1-CB 4.21Å; I693-E761 PolarHBondContact N-O 3.3Å
694	D	94.3	Very high	92.7	Very high	50 Å²	50	64.9 Å²	64.9	27%	0.267	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	150.1	175.9	-165	1.6	0	0	0	110.4	R536 L696 I762 A763	R536-D694 IonicContact CZ-OD2 3.17Å; R536-D694 IonicContact NE-OD2 3.05Å; R536-D694 PolarHBondContact NE-OD2 3.49Å; R536-D694 VanDerWaalsContact NH2-CG 3.27Å; R536-D694 IonicContact NH2-OD1 2.66Å; R536-D694 PolarHBondContact NH2-OD1 3.08Å; R536-D694 IonicContact NH2-OD2 2.69Å; R536-D694 PolarHBondContact NH2-OD2 2.68Å; D694-L696 WeakPolarHBondContact OD2-CD2 3.45Å; D694-I762 HydrophobicContact CB-CG1 4.36Å; D694-I762 HydrophobicContact CB-CG2 4.29Å; D694-I762 WeakPolarHBondContact O-CA 3.24Å; D694-A763 PolarHBondContact O-N 3.47Å
695	H	95.6	Very high	92.6	Very high	45 Å²	45	63.9 Å²	63.9	21%	0.208	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	109	173.2	-167.7	174.8	0	0	0	108.8	W685 L692 H697 A763 D765	W685-H695 AromaticContact CH2-CE1 3.49Å; W685-H695 VanDerWaalsContact CH2-CE1 3.49Å; W685-H695 WeakPolarHBondContact CH2-CE1 3.33Å; W685-H695 AromaticContact CH2-ND1 3.88Å; W685-H695 AromaticContact CZ2-CE1 3.63Å; L692-H695 HydrophobicContact CD1-CB 4.13Å; H695-H697 AromaticContact CD2-CE1 3.72Å; H695-H697 AromaticContact CD2-ND1 3.82Å; H695-H697 AromaticContact CE1-CE1 3.46Å; H695-H697 PolarHBondContact CE1-CE1 2.95Å; H695-H697 VanDerWaalsContact CE1-CE1 3.46Å; H695-H697 AromaticContact CE1-ND1 3.91Å; H695-H697 AromaticContact CG-CE1 3.53Å; H695-H697 AromaticContact ND1-CE1 3.39Å; H695-H697 PolarHBondContact ND1-CE1 2.95Å; H695-H697 AromaticContact NE2-CE1 3.68Å; H695-H697 AromaticContact NE2-ND1 3.71Å; H695-H697 PolarHBondContact O-N 3.18Å; H695-A763 WeakPolarHBondContact CA-O 2.99Å; H695-D765 IonicContact CD2-OD2 2.78Å; H695-D765 IonicContact CE1-OD1 1.88Å; H695-D765 IonicContact CE1-OD2 2.97Å; H695-D765 IonicContact NE2-OD1 3.96Å; H695-D765 PolarHBondContact NE2-OD1 2.97Å; H695-D765 IonicContact NE2-OD2 3.29Å; H695-D765 PolarHBondContact NE2-OD2 3.07Å
696	L	95.8	Very high	92.2	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.016	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	104.7	-175.3	-59	-177.5	0	0	0	110.6	I532 V535 R536 D694 Y698 A763 I764 D765	I532-L696 HydrophobicContact CG2-CD1 4.17Å; V535-L696 HydrophobicContact CB-CD1 4.22Å; V535-L696 HydrophobicContact CG1-CD1 4.44Å; R536-L696 HydrophobicContact CB-CD2 4.27Å; R536-L696 VanDerWaalsContact NH2-CD2 3.28Å; D694-L696 WeakPolarHBondContact OD2-CD2 3.45Å; L696-Y698 HydrophobicContact CB-CD2 3.96Å; L696-Y698 HydrophobicContact CB-CE2 3.85Å; L696-Y698 HydrophobicContact CD1-CE2 4.5Å; L696-Y698 HydrophobicContact CD2-CE2 4.44Å; L696-Y698 HydrophobicContact CG-CE2 4.49Å; L696-Y698 PolarHBondContact O-N 2.87Å; L696-A763 PolarHBondContact N-O 3.24Å; L696-I764 HydrophobicContact CB-CB 3.95Å; L696-I764 HydrophobicContact CB-CD1 4.25Å; L696-I764 HydrophobicContact CB-CG1 3.75Å; L696-I764 HydrophobicContact CD1-CB 4.45Å; L696-I764 HydrophobicContact CD1-CD1 4.25Å; L696-I764 HydrophobicContact CD1-CG1 4.49Å; L696-I764 CarbonylContact O-C 3.52Å; L696-I764 WeakPolarHBondContact O-CA 3.16Å; L696-D765 PolarHBondContact O-N 2.84Å
697	H	95.1	Very high	91.9	Very high	129 Å²	129	57.8 Å²	57.8	60%	0.597	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	92.7	-178.8	-58.1	-61.3	0	0	0	112.5	H695 D765	H695-H697 AromaticContact CD2-CE1 3.72Å; H695-H697 AromaticContact CD2-ND1 3.82Å; H695-H697 AromaticContact CE1-CE1 3.46Å; H695-H697 PolarHBondContact CE1-CE1 2.95Å; H695-H697 VanDerWaalsContact CE1-CE1 3.46Å; H695-H697 AromaticContact CE1-ND1 3.91Å; H695-H697 AromaticContact CG-CE1 3.53Å; H695-H697 AromaticContact ND1-CE1 3.39Å; H695-H697 PolarHBondContact ND1-CE1 2.95Å; H695-H697 AromaticContact NE2-CE1 3.68Å; H695-H697 AromaticContact NE2-ND1 3.71Å; H695-H697 PolarHBondContact O-N 3.18Å; H697-D765 IonicContact CE1-OD2 2.6Å; H697-D765 IonicContact CG-OD2 3.13Å; H697-D765 IonicContact ND1-OD2 3.96Å; H697-D765 PolarHBondContact ND1-OD2 3.47Å
698	Y	94.9	Very high	91.7	Very high	39 Å²	39	52.4 Å²	52.4	15%	0.153	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	24.9	179.1	-63.4	-70.1	0	0	0	113.8	I539 L696 H700 I764 D765 V843	I539-Y698 HydrophobicContact CD1-CD1 4.42Å; I539-Y698 HydrophobicContact CD1-CD2 4Å; I539-Y698 HydrophobicContact CD1-CE1 4.04Å; I539-Y698 HydrophobicContact CD1-CE2 3.55Å; I539-Y698 HydrophobicContact CD1-CG 4.41Å; I539-Y698 HydrophobicContact CG2-CE1 4.42Å; L696-Y698 HydrophobicContact CB-CD2 3.96Å; L696-Y698 HydrophobicContact CB-CE2 3.85Å; L696-Y698 HydrophobicContact CD1-CE2 4.5Å; L696-Y698 HydrophobicContact CD2-CE2 4.44Å; L696-Y698 HydrophobicContact CG-CE2 4.49Å; L696-Y698 PolarHBondContact O-N 2.87Å; Y698-H700 PolarHBondContact O-N 3.29Å; Y698-I764 HydrophobicContact CD2-CD1 4.03Å; Y698-I764 HydrophobicContact CD2-CG1 4.26Å; Y698-D765 CarbonylContact C-O 3.57Å; Y698-D765 VanDerWaalsContact CA-O 3.26Å; Y698-D765 WeakPolarHBondContact CA-O 3.41Å; Y698-D765 PolarHBondContact N-O 3.29Å; Y698-V843 VanDerWaalsContact CB-CG2 3.48Å; Y698-V843 HydrophobicContact CD1-CG2 4.07Å; Y698-V843 HydrophobicContact CD2-CG2 4.05Å; Y698-V843 HydrophobicContact CG-CB 4.37Å; Y698-V843 HydrophobicContact CG-CG2 3.63Å
699	S	92.6	Very high	91.5	Very high	18 Å²	18	50.5 Å²	50.5	13%	0.126	26%	0.257	C	S	.	.			trans	-74.9	-1.9	178.1	63	0	0	0	0	115.2	E752 D765	S699-E752 PolarHBondContact OG-OE2 2.93Å; S699-D765 PolarHBondContact N-O 3.35Å
700	H	91.9	Very high	91.3	Very high	106 Å²	106	48.4 Å²	48.4	49%	0.491	25%	0.248	S	C	.	.			trans	-75.9	132.2	-173.7	-168.5	88.3	0	0	0	112.9	Y698 Y702	Y698-H700 PolarHBondContact O-N 3.29Å; H700-Y702 AromaticContact CD2-CD1 3.47Å; H700-Y702 VanDerWaalsContact CD2-CD1 3.47Å; H700-Y702 WeakPolarHBondContact CD2-CD1 3.3Å; H700-Y702 AromaticContact CD2-CD2 3.95Å; H700-Y702 AromaticContact CD2-CE1 3.37Å; H700-Y702 WeakPolarHBondContact CD2-CE1 3.21Å; H700-Y702 AromaticContact CD2-CE2 3.84Å; H700-Y702 AromaticContact CD2-CG 3.77Å; H700-Y702 AromaticContact CD2-CZ 3.56Å; H700-Y702 AromaticContact NE2-CD1 3.65Å; H700-Y702 AromaticContact NE2-CE1 3.79Å
701	V	91.1	Very high	91.3	Very high	16 Å²	16	43.8 Å²	43.8	10%	0.097	23%	0.231	C	C	.	.			trans	-108.8	115.1	176.2	-174.6	0	0	0	0	109.2	I706 H750 A767 L769 Y844	V701-I706 HydrophobicContact CG1-CD1 4.37Å; V701-I706 HydrophobicContact CG1-CG1 3.89Å; V701-H750 HydrophobicContact CG2-CB 4.18Å; V701-H750 VanDerWaalsContact CG2-CD2 3.43Å; V701-H750 WeakPolarHBondContact CG2-CD2 3.46Å; V701-A767 HydrophobicContact CG2-CB 3.93Å; V701-L769 HydrophobicContact CG1-CD2 4.38Å; V701-L769 HydrophobicContact CG2-CD2 4.46Å; V701-Y844 HydrophobicContact CG2-CE1 4.21Å
702	Y	91.7	Very high	91.1	Very high	38 Å²	38	45.1 Å²	45.1	15%	0.149	22%	0.219	C	C	.	.			trans	-81.8	159	-176.7	-59.2	-87.6	0	0	0	111.7	H700 E704 S705 L836 K840 V841 E842	H700-Y702 AromaticContact CD2-CD1 3.47Å; H700-Y702 VanDerWaalsContact CD2-CD1 3.47Å; H700-Y702 WeakPolarHBondContact CD2-CD1 3.3Å; H700-Y702 AromaticContact CD2-CD2 3.95Å; H700-Y702 AromaticContact CD2-CE1 3.37Å; H700-Y702 WeakPolarHBondContact CD2-CE1 3.21Å; H700-Y702 AromaticContact CD2-CE2 3.84Å; H700-Y702 AromaticContact CD2-CG 3.77Å; H700-Y702 AromaticContact CD2-CZ 3.56Å; H700-Y702 AromaticContact NE2-CD1 3.65Å; H700-Y702 AromaticContact NE2-CE1 3.79Å; Y702-E704 PolarHBondContact O-N 2.97Å; Y702-E704 VanDerWaalsContact O-N 3.08Å; Y702-S705 WeakPolarHBondContact CB-OG 3.42Å; Y702-S705 PolarHBondContact N-OG 3.18Å; Y702-S705 WeakPolarHBondContact O-CB 3.36Å; Y702-S705 PolarHBondContact O-N 3.49Å; Y702-S705 PolarHBondContact O-OG 3.06Å; Y702-L836 HydrophobicContact CD2-CD1 3.42Å; Y702-L836 VanDerWaalsContact CD2-CD1 3.42Å; Y702-L836 HydrophobicContact CE2-CD1 4.14Å; Y702-L836 HydrophobicContact CG-CD1 3.72Å; Y702-K840 HydrophobicContact CD1-CB 4.31Å; Y702-K840 HydrophobicContact CD1-CD 3.76Å; Y702-K840 HydrophobicContact CD1-CG 4.06Å; Y702-K840 HydrophobicContact CE1-CB 3.77Å; Y702-K840 HydrophobicContact CE1-CD 3.8Å; Y702-K840 HydrophobicContact CE1-CG 3.54Å; Y702-K840 HydrophobicContact CE2-CB 4.19Å; Y702-K840 HydrophobicContact CG-CD 4.46Å; Y702-V841 WeakPolarHBondContact CE2-O 3.33Å; Y702-E842 HydrophobicContact CD2-CG 4.07Å; Y702-E842 HydrophobicContact CE2-CG 4.41Å
703	P	89.3	Confident	90.9	Very high	41 Å²	41	51.1 Å²	51.1	27%	0.266	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-29.2	178.1	-32.6	39	0	0	0	115.4	R708 L739 D740	P703-R708 PolarHBondContact O-NE 2.98Å; P703-R708 PolarHBondContact O-NH2 2.94Å; P703-L739 HydrophobicContact CB-CB 4.39Å; P703-L739 HydrophobicContact CB-CD2 4.22Å; P703-L739 HydrophobicContact CB-CG 4.47Å; P703-L739 WeakPolarHBondContact O-CD2 3.45Å; P703-D740 WeakPolarHBondContact CB-OD1 3.23Å; P703-D740 VanDerWaalsContact CG-OD2 3.24Å; P703-D740 WeakPolarHBondContact CG-OD2 3.2Å
704	E	88.6	Confident	90.7	Very high	29 Å²	29	48.5 Å²	48.5	14%	0.136	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-11.9	177.4	67.8	-174.6	118.8	0	0	114.3	G505 R545 Y702 I706 Y722 L739 L836	G505-E704 VanDerWaalsContact CA-O 3.29Å; G505-E704 WeakPolarHBondContact CA-O 3.09Å; G505-E704 PolarHBondContact N-O 2.73Å; R545-E704 IonicContact CZ-OE2 3.19Å; R545-E704 VanDerWaalsContact CZ-OE2 3.31Å; R545-E704 IonicContact NH1-OE2 3.69Å; R545-E704 PolarHBondContact NH1-OE2 2.83Å; R545-E704 IonicContact NH2-OE2 2.62Å; R545-E704 PolarHBondContact NH2-OE2 2.95Å; Y702-E704 PolarHBondContact O-N 2.97Å; Y702-E704 VanDerWaalsContact O-N 3.08Å; E704-I706 VanDerWaalsContact C-N 3.29Å; E704-Y722 HydrophobicContact CB-CE1 4Å; E704-Y722 WeakPolarHBondContact O-CE1 3.2Å; E704-L739 HydrophobicContact CB-CD2 4.02Å; E704-L836 HydrophobicContact CG-CD1 3.85Å; E704-L836 HydrophobicContact CG-CD2 4.24Å
705	S	88.9	Confident	90.5	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.007	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-24.1	168.6	-40.8	0	0	0	0	111.8	G505 Y506 Y702 E842 Y844	G505-S705 CarbonylContact C-O 3.6Å; G505-S705 VanDerWaalsContact CA-O 3.24Å; G505-S705 WeakPolarHBondContact CA-O 3.43Å; Y506-S705 PolarHBondContact N-O 2.85Å; Y702-S705 WeakPolarHBondContact CB-OG 3.42Å; Y702-S705 PolarHBondContact N-OG 3.18Å; Y702-S705 WeakPolarHBondContact O-CB 3.36Å; Y702-S705 PolarHBondContact O-N 3.49Å; Y702-S705 PolarHBondContact O-OG 3.06Å; S705-E842 WeakPolarHBondContact CB-OE1 3.41Å; S705-E842 PolarHBondContact OG-OE1 3.1Å; S705-Y844 WeakPolarHBondContact CB-OH 3.38Å; S705-Y844 PolarHBondContact OG-OH 3.3Å; S705-Y844 VanDerWaalsContact OG-OH 3.06Å
706	I	86.8	Confident	90.2	Very high	25 Å²	25	52.4 Å²	52.4	13%	0.128	24%	0.242	C	C	.	.	S	Bend	trans	-88.7	119.1	-179.7	-57.4	175.7	0	0	0	109	V701 E704 Y722	V701-I706 HydrophobicContact CG1-CD1 4.37Å; V701-I706 HydrophobicContact CG1-CG1 3.89Å; E704-I706 VanDerWaalsContact C-N 3.29Å; I706-Y722 PolarHBondContact O-OH 2.78Å
707	P	86.7	Confident	90	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.247	C	C	.	.			trans	-68.3	139	172.6	29.7	-33.7	0	0	0	109.8	V502 I503 A745 R746 Y795	V502-P707 HydrophobicContact CG1-CB 3.81Å; I503-P707 WeakPolarHBondContact O-CA 3.43Å; P707-A745 HydrophobicContact CB-CB 4.33Å; P707-A745 HydrophobicContact CG-CB 4.41Å; P707-A745 PolarHBondContact O-N 2.91Å; P707-R746 HydrophobicContact CG-CG 3.82Å; P707-Y795 HydrophobicContact CB-CE1 4.27Å; P707-Y795 HydrophobicContact CG-CE1 3.72Å
708	R	88.1	Confident	89.9	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.015	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	148.5	-174.4	-55.4	-64.5	176	146.1	2.7	110.9	V502 I503 P703 F710 Y722 L739 D740 F742 K743	V502-R708 WeakPolarHBondContact CA-O 3.24Å; I503-R708 PolarHBondContact N-O 3.03Å; I503-R708 PolarHBondContact O-N 2.83Å; P703-R708 PolarHBondContact O-NE 2.98Å; P703-R708 PolarHBondContact O-NH2 2.94Å; R708-F710 PolarHBondContact O-N 2.68Å; R708-Y722 VanDerWaalsContact CG-OH 3.32Å; R708-Y722 WeakPolarHBondContact CG-OH 3.47Å; R708-L739 HydrophobicContact CG-CD1 4.08Å; R708-L739 VanDerWaalsContact CZ-O 3.22Å; R708-L739 PolarHBondContact NH1-O 2.83Å; R708-D740 IonicContact CZ-OD1 3.66Å; R708-D740 IonicContact NH1-OD1 3.67Å; R708-D740 IonicContact NH2-OD1 3.15Å; R708-D740 PolarHBondContact NH2-OD1 2.83Å; R708-F742 HydrophobicContact CB-CB 4.17Å; R708-F742 WeakPolarHBondContact CD-O 3.29Å; R708-F742 HydrophobicContact CG-CB 4.24Å; R708-F742 PolarHBondContact NH1-O 2.85Å; R708-K743 WeakPolarHBondContact CA-O 3.29Å
709	K	88.2	Confident	89.7	Confident	43 Å²	43	45.9 Å²	45.9	19%	0.187	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	128.7	166	-70.7	-149.1	171.8	-159.6	0	108.4	K499 M501 K743 A745 D798	K499-K709 PolarHBondContact O-NZ 3.41Å; M501-K709 WeakPolarHBondContact O-CA 3.46Å; K709-K743 PolarHBondContact N-O 3.26Å; K709-A745 HydrophobicContact CG-CB 4.34Å; K709-D798 IonicContact NZ-OD2 2.74Å; K709-D798 PolarHBondContact NZ-OD2 2.78Å
710	F	89	Confident	89.5	Confident	15 Å²	15	48.6 Å²	48.6	7%	0.066	22%	0.224	C	C	.	.			trans	-78.7	138.2	-172.2	173.7	-102.3	0	0	0	112	Y433 P434 M435 M501 I503 R708 F712 R715 L718	Y433-F710 HydrophobicContact CD2-CE1 4.49Å; Y433-F710 AromaticContact CD2-CZ 3.89Å; Y433-F710 HydrophobicContact CD2-CZ 3.89Å; Y433-F710 HydrophobicContact CG-CZ 4.35Å; P434-F710 HydrophobicContact CB-CB 4.3Å; P434-F710 HydrophobicContact CB-CD1 3.85Å; P434-F710 HydrophobicContact CB-CE1 4.26Å; P434-F710 HydrophobicContact CB-CG 3.98Å; P434-F710 HydrophobicContact CG-CB 4.07Å; P434-F710 HydrophobicContact CG-CD1 4.24Å; P434-F710 HydrophobicContact CG-CD2 4.02Å; P434-F710 HydrophobicContact CG-CG 3.85Å; P434-F710 VanDerWaalsContact O-CE1 3.26Å; P434-F710 WeakPolarHBondContact O-CE1 3.35Å; M435-F710 HydrophobicContact CG-CD1 4.37Å; M435-F710 HydrophobicContact CG-CE1 4.26Å; M435-F710 HydrophobicContact SD-CD1 3.93Å; M435-F710 HydrophobicContact SD-CE1 3.78Å; M501-F710 HydrophobicContact CB-CB 3.93Å; M501-F710 HydrophobicContact CB-CD1 4.23Å; M501-F710 PolarHBondContact O-N 3.25Å; I503-F710 HydrophobicContact CB-CB 4.48Å; I503-F710 HydrophobicContact CB-CD2 4.28Å; I503-F710 HydrophobicContact CD1-CD2 4.19Å; I503-F710 HydrophobicContact CD1-CE2 4.42Å; I503-F710 HydrophobicContact CG2-CB 4.29Å; I503-F710 HydrophobicContact CG2-CD2 4.12Å; R708-F710 PolarHBondContact O-N 2.68Å; F710-F712 HydrophobicContact CE1-CB 4.16Å; F710-F712 HydrophobicContact CE1-CD2 4.32Å; F710-R715 HydrophobicContact CE2-CB 3.83Å; F710-R715 HydrophobicContact CZ-CB 3.57Å; F710-L718 HydrophobicContact CD2-CD1 3.85Å; F710-L718 HydrophobicContact CE2-CD1 4.29Å
711	M	89.1	Confident	89.5	Confident	92 Å²	92	47 Å²	47	45%	0.453	22%	0.217	S	C	.	.			trans	-121.4	113.6	178	-66.9	-68.5	-70.3	0	0	109.2	E713 H714 R715 L718 F742	M711-E713 PolarHBondContact O-N 2.75Å; M711-H714 CarbonylContact O-C 3.11Å; M711-H714 PolarHBondContact O-N 2.86Å; M711-R715 PolarHBondContact O-N 3.12Å; M711-L718 HydrophobicContact CB-CD1 4.39Å; M711-F742 HydrophobicContact CB-CD1 4.49Å; M711-F742 HydrophobicContact CB-CE1 4.17Å; M711-F742 HydrophobicContact CG-CD1 4.15Å; M711-F742 HydrophobicContact CG-CE1 4.23Å
712	F	87.8	Confident	89.6	Confident	89 Å²	89	46.3 Å²	46.3	39%	0.39	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-62.3	-28.9	-173	-178.4	-96.3	0	0	0	114.2	Y433 M435 F710 H714 R715	Y433-F712 HydrophobicContact CE2-CD2 4.32Å; Y433-F712 AromaticContact CE2-CE2 3.85Å; Y433-F712 HydrophobicContact CE2-CE2 3.85Å; M435-F712 HydrophobicContact CE-CB 3.9Å; M435-F712 HydrophobicContact CE-CD2 3.79Å; M435-F712 HydrophobicContact CE-CG 3.96Å; M435-F712 HydrophobicContact SD-CB 4.07Å; M435-F712 HydrophobicContact SD-CD2 4.4Å; F710-F712 HydrophobicContact CE1-CB 4.16Å; F710-F712 HydrophobicContact CE1-CD2 4.32Å; F712-H714 VanDerWaalsContact C-N 3.31Å; F712-H714 PolarHBondContact O-N 3.43Å; F712-R715 WeakPolarHBondContact O-CB 3.25Å; F712-R715 WeakPolarHBondContact O-CD 3.41Å; F712-R715 VanDerWaalsContact O-CG 3.3Å; F712-R715 WeakPolarHBondContact O-CG 3.36Å; F712-R715 PolarHBondContact O-N 3.04Å; F712-R715 PolarHBondContact O-NH1 2.69Å
713	E	89.4	Confident	89.7	Confident	159 Å²	159	45.1 Å²	45.1	74%	0.743	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-61.8	-38.5	174.3	-66.1	172.2	-169.6	0	0	111.8	M711	M711-E713 PolarHBondContact O-N 2.75Å
714	H	90.1	Very high	89.9	Confident	77 Å²	77	44 Å²	44	36%	0.356	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-99.2	17.4	-179.8	-60.5	-57.7	0	0	0	113.5	M711 F712 K716 F717 L718 F742	M711-H714 CarbonylContact O-C 3.11Å; M711-H714 PolarHBondContact O-N 2.86Å; F712-H714 VanDerWaalsContact C-N 3.31Å; F712-H714 PolarHBondContact O-N 3.43Å; H714-K716 VanDerWaalsContact C-N 3.28Å; H714-K716 PolarHBondContact O-N 2.79Å; H714-K716 VanDerWaalsContact O-N 3.15Å; H714-F717 PolarHBondContact O-N 3.31Å; H714-L718 HydrophobicContact CB-CD1 4.36Å; H714-L718 HydrophobicContact CB-CG 4.39Å; H714-L718 PolarHBondContact O-N 2.81Å; H714-F742 HydrophobicContact CB-CE1 3.76Å; H714-F742 HydrophobicContact CB-CZ 3.7Å; H714-F742 AromaticContact CD2-CE1 3.62Å; H714-F742 AromaticContact CD2-CZ 3.71Å; H714-F742 AromaticContact CG-CE1 3.94Å; H714-F742 AromaticContact CG-CZ 3.76Å
715	R	90.5	Very high	90.1	Very high	99 Å²	99	44.8 Å²	44.8	37%	0.374	21%	0.206	S	C	.	.	H	α-helix	trans	-53	-39.4	-172.6	67.9	-172.3	176	-76.3	-5.4	114.3	F710 M711 F712 L718 S719	F710-R715 HydrophobicContact CE2-CB 3.83Å; F710-R715 HydrophobicContact CZ-CB 3.57Å; M711-R715 PolarHBondContact O-N 3.12Å; F712-R715 WeakPolarHBondContact O-CB 3.25Å; F712-R715 WeakPolarHBondContact O-CD 3.41Å; F712-R715 VanDerWaalsContact O-CG 3.3Å; F712-R715 WeakPolarHBondContact O-CG 3.36Å; F712-R715 PolarHBondContact O-N 3.04Å; F712-R715 PolarHBondContact O-NH1 2.69Å; R715-L718 PolarHBondContact O-N 3.33Å; R715-S719 PolarHBondContact O-N 2.8Å; R715-S719 PolarHBondContact O-OG 2.86Å
716	K	89.5	Confident	90.3	Very high	78 Å²	78	47.3 Å²	47.3	34%	0.339	22%	0.222	S	C	.	.	H	α-helix	trans	-61.8	-58.4	179.7	-178.4	177.8	174.7	-179	0	110.7	H714 L718 S719 E720 E733	H714-K716 VanDerWaalsContact C-N 3.28Å; H714-K716 PolarHBondContact O-N 2.79Å; H714-K716 VanDerWaalsContact O-N 3.15Å; K716-L718 VanDerWaalsContact C-N 3.31Å; K716-L718 PolarHBondContact O-N 3.27Å; K716-S719 PolarHBondContact O-N 3.16Å; K716-E720 WeakPolarHBondContact CE-OE1 3.49Å; K716-E720 WeakPolarHBondContact CG-OE1 3.19Å; K716-E720 WeakPolarHBondContact O-CB 3.48Å; K716-E720 VanDerWaalsContact O-CG 3.27Å; K716-E720 WeakPolarHBondContact O-CG 3.32Å; K716-E720 PolarHBondContact O-N 2.96Å; K716-E733 WeakPolarHBondContact CD-OE1 3.41Å; K716-E733 IonicContact NZ-OE1 2.71Å; K716-E733 PolarHBondContact NZ-OE1 3.3Å
717	F	91.3	Very high	90.7	Very high	25 Å²	25	46.6 Å²	46.6	11%	0.11	22%	0.22	C	C	.	.	H	α-helix	trans	-53.4	-46.6	176	168.7	-95.5	0	0	0	112.3	H714 E720 Q721 P736 P737 F742	H714-F717 PolarHBondContact O-N 3.31Å; F717-E720 PolarHBondContact O-N 2.84Å; F717-Q721 HydrophobicContact CD1-CG 4.36Å; F717-Q721 HydrophobicContact CD2-CG 4.43Å; F717-Q721 HydrophobicContact CE1-CG 3.85Å; F717-Q721 HydrophobicContact CE2-CG 3.93Å; F717-Q721 HydrophobicContact CZ-CG 3.61Å; F717-Q721 WeakPolarHBondContact O-CG 3.31Å; F717-Q721 PolarHBondContact O-N 3.21Å; F717-P736 HydrophobicContact CD2-CB 3.84Å; F717-P736 HydrophobicContact CE2-CB 3.86Å; F717-P737 HydrophobicContact CD1-CG 3.77Å; F717-P737 HydrophobicContact CD2-CG 4.33Å; F717-P737 HydrophobicContact CE1-CG 3.87Å; F717-P737 HydrophobicContact CE2-CG 4.39Å; F717-P737 VanDerWaalsContact CE2-O 3.27Å; F717-P737 WeakPolarHBondContact CE2-O 3.27Å; F717-P737 HydrophobicContact CG-CG 4.02Å; F717-P737 HydrophobicContact CZ-CG 4.18Å; F717-P737 WeakPolarHBondContact CZ-O 3.45Å; F717-F742 AromaticContact CD1-CE2 3.95Å; F717-F742 HydrophobicContact CD1-CE2 3.95Å; F717-F742 HydrophobicContact CD1-CZ 4.04Å; F717-F742 HydrophobicContact CE1-CD2 4.33Å; F717-F742 AromaticContact CE1-CE2 3.57Å; F717-F742 HydrophobicContact CE1-CE2 3.57Å; F717-F742 HydrophobicContact CE1-CZ 4.15Å
718	L	91.4	Very high	91	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-46	-178.3	-72.5	174.8	0	0	0	112.1	I503 F710 M711 H714 R715 K716 E720 Q721 Y722 L739 F742	I503-L718 HydrophobicContact CD1-CB 4.16Å; I503-L718 HydrophobicContact CG2-CB 4.4Å; I503-L718 HydrophobicContact CG2-CD1 4.42Å; F710-L718 HydrophobicContact CD2-CD1 3.85Å; F710-L718 HydrophobicContact CE2-CD1 4.29Å; M711-L718 HydrophobicContact CB-CD1 4.39Å; H714-L718 HydrophobicContact CB-CD1 4.36Å; H714-L718 HydrophobicContact CB-CG 4.39Å; H714-L718 PolarHBondContact O-N 2.81Å; R715-L718 PolarHBondContact O-N 3.33Å; K716-L718 VanDerWaalsContact C-N 3.31Å; K716-L718 PolarHBondContact O-N 3.27Å; L718-E720 VanDerWaalsContact C-N 3.35Å; L718-Q721 PolarHBondContact O-N 2.96Å; L718-Y722 WeakPolarHBondContact O-CD2 3.45Å; L718-Y722 PolarHBondContact O-N 2.62Å; L718-L739 HydrophobicContact CD2-CD1 4.11Å; L718-F742 HydrophobicContact CD1-CD1 4.12Å; L718-F742 HydrophobicContact CD1-CE1 3.86Å; L718-F742 HydrophobicContact CD2-CD1 3.88Å; L718-F742 HydrophobicContact CD2-CD2 4.16Å; L718-F742 HydrophobicContact CD2-CE1 3.88Å; L718-F742 HydrophobicContact CD2-CE2 4.17Å; L718-F742 HydrophobicContact CD2-CG 4.02Å; L718-F742 HydrophobicContact CD2-CZ 4.03Å; L718-F742 HydrophobicContact CG-CD1 4.42Å; L718-F742 HydrophobicContact CG-CE1 4.04Å; L718-F742 HydrophobicContact CG-CZ 4.27Å
719	S	90.7	Very high	91.1	Very high	8 Å²	8	51.5 Å²	51.5	6%	0.056	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-40.7	174.3	-70.6	0	0	0	0	111.7	I432 R715 K716 Q721 Y722 N723	I432-S719 PolarHBondContact O-OG 3.39Å; R715-S719 PolarHBondContact O-N 2.8Å; R715-S719 PolarHBondContact O-OG 2.86Å; K716-S719 PolarHBondContact O-N 3.16Å; S719-Q721 PolarHBondContact O-N 2.81Å; S719-Y722 PolarHBondContact O-N 3.44Å; S719-N723 PolarHBondContact O-N 3.15Å; S719-N723 PolarHBondContact O-ND2 3.39Å; S719-N723 PolarHBondContact O-OD1 3.19Å
720	E	90.1	Very high	91	Very high	75 Å²	75	53.5 Å²	53.5	35%	0.35	26%	0.256	S	S	.	.	H	α-helix	trans	-59.7	-39.9	176.8	-74.4	168.1	167.7	0	0	113.1	K716 F717 L718 Y722 N723	K716-E720 WeakPolarHBondContact CE-OE1 3.49Å; K716-E720 WeakPolarHBondContact CG-OE1 3.19Å; K716-E720 WeakPolarHBondContact O-CB 3.48Å; K716-E720 VanDerWaalsContact O-CG 3.27Å; K716-E720 WeakPolarHBondContact O-CG 3.32Å; K716-E720 PolarHBondContact O-N 2.96Å; F717-E720 PolarHBondContact O-N 2.84Å; L718-E720 VanDerWaalsContact C-N 3.35Å; E720-Y722 VanDerWaalsContact C-N 3.28Å; E720-Y722 PolarHBondContact O-N 3.31Å; E720-N723 PolarHBondContact O-N 3.44Å
721	Q	90.8	Very high	90.7	Very high	72 Å²	72	55.6 Å²	55.6	34%	0.336	27%	0.272	S	S	.	.	H	α-helix	trans	-62.9	-34.7	176.6	-64.4	-39.3	-78	0	0	112.7	R545 F717 L718 S719 L739	R545-Q721 PolarHBondContact NH2-O 2.94Å; F717-Q721 HydrophobicContact CD1-CG 4.36Å; F717-Q721 HydrophobicContact CD2-CG 4.43Å; F717-Q721 HydrophobicContact CE1-CG 3.85Å; F717-Q721 HydrophobicContact CE2-CG 3.93Å; F717-Q721 HydrophobicContact CZ-CG 3.61Å; F717-Q721 WeakPolarHBondContact O-CG 3.31Å; F717-Q721 PolarHBondContact O-N 3.21Å; L718-Q721 PolarHBondContact O-N 2.96Å; S719-Q721 PolarHBondContact O-N 2.81Å; Q721-L739 HydrophobicContact CB-CD2 4.46Å; Q721-L739 HydrophobicContact CG-CD1 4.38Å
722	Y	93.3	Very high	90.2	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-98.3	3	-174.4	-64.5	-59.2	0	0	0	114	R386 V387 I503 G504 E704 I706 R708 L718 S719 E720 L739	R386-Y722 CarbonylContact C-O 3.59Å; R386-Y722 VanDerWaalsContact CA-O 3.27Å; R386-Y722 WeakPolarHBondContact CA-O 3.35Å; R386-Y722 HydrophobicContact CB-CD1 4.01Å; R386-Y722 HydrophobicContact CB-CG 4.48Å; V387-Y722 PolarHBondContact N-O 2.99Å; I503-Y722 HydrophobicContact CD1-CD2 4.21Å; I503-Y722 HydrophobicContact CG1-CD2 3.82Å; I503-Y722 HydrophobicContact CG1-CE2 4.33Å; I503-Y722 HydrophobicContact CG2-CD2 4.28Å; I503-Y722 HydrophobicContact CG2-CE2 3.95Å; G504-Y722 VanDerWaalsContact CA-CD1 3.46Å; G504-Y722 VanDerWaalsContact CA-CE1 3.5Å; E704-Y722 HydrophobicContact CB-CE1 4Å; E704-Y722 WeakPolarHBondContact O-CE1 3.2Å; I706-Y722 PolarHBondContact O-OH 2.78Å; R708-Y722 VanDerWaalsContact CG-OH 3.32Å; R708-Y722 WeakPolarHBondContact CG-OH 3.47Å; L718-Y722 WeakPolarHBondContact O-CD2 3.45Å; L718-Y722 PolarHBondContact O-N 2.62Å; S719-Y722 PolarHBondContact O-N 3.44Å; E720-Y722 VanDerWaalsContact C-N 3.28Å; E720-Y722 PolarHBondContact O-N 3.31Å; Y722-L739 HydrophobicContact CE1-CD2 4.39Å; Y722-L739 HydrophobicContact CE2-CD1 4.24Å
723	N	94.6	Very high	89.5	Confident	14 Å²	14	57.4 Å²	57.4	8%	0.075	29%	0.285	C	S	.	.	S	Bend	trans	-82.3	179.9	169.3	-74.4	-16	0	0	0	111.9	R403 E430 R545 S719 E720	R403-N723 PolarHBondContact NH1-OD1 2.75Å; R403-N723 PolarHBondContact NH2-OD1 2.9Å; E430-N723 PolarHBondContact O-ND2 2.86Å; R545-N723 PolarHBondContact NH2-O 3.01Å; R545-N723 VanDerWaalsContact NH2-O 3.12Å; S719-N723 PolarHBondContact O-N 3.15Å; S719-N723 PolarHBondContact O-ND2 3.39Å; S719-N723 PolarHBondContact O-OD1 3.19Å; E720-N723 PolarHBondContact O-N 3.44Å
724	S	92.7	Very high	88.9	Confident	17 Å²	17	52.6 Å²	52.6	12%	0.119	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-82	153.2	160.7	-60.8	0	0	0	0	109.6	W192 V387	W192-S724 VanDerWaalsContact CD1-CB 3.45Å; V387-S724 WeakPolarHBondContact CG1-OG 3.42Å
725	Q	93.4	Very high	88.4	Confident	46 Å²	46	60.5 Å²	60.5	22%	0.215	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-60.8	138.1	177.7	-62.6	-65.8	-97	0	0	112.2	N121 K124 W192 Y544	N121-Q725 WeakPolarHBondContact ND2-CG 3.49Å; N121-Q725 VanDerWaalsContact OD1-CG 3.32Å; N121-Q725 WeakPolarHBondContact OD1-CG 3.31Å; K124-Q725 HydrophobicContact CD-CG 4.08Å; K124-Q725 VanDerWaalsContact NZ-OE1 3.16Å; W192-Q725 HydrophobicContact CZ2-CB 4.43Å; W192-Q725 PolarHBondContact NE1-O 3.43Å; Y544-Q725 HydrophobicContact CE1-CG 4.29Å; Y544-Q725 PolarHBondContact OH-N 3.18Å
726	P	93.7	Very high	87.8	Confident	54 Å²	54	59 Å²	59	35%	0.351	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-73.1	152.6	-178.6	29.6	-34.4	0	0	0	112.3	V125 K728	V125-P726 HydrophobicContact CG2-CG 3.99Å; V125-P726 VanDerWaalsContact CG2-O 3.24Å; V125-P726 WeakPolarHBondContact CG2-O 3.46Å; P726-K728 VanDerWaalsContact C-N 3.3Å; P726-K728 PolarHBondContact O-N 2.86Å
727	A	94.5	Very high	87.7	Confident	10 Å²	10	57.1 Å²	57.1	8%	0.083	30%	0.304	C	S	.	.	S	Bend	trans	-77.1	-13.6	-180	0	0	0	0	0	114.2	A73 V74 L191 Y198	A73-A727 WeakPolarHBondContact CA-O 3.38Å; V74-A727 PolarHBondContact N-O 3.11Å; L191-A727 HydrophobicContact CB-CB 3.99Å; L191-A727 HydrophobicContact CD2-CB 4.19Å; Y198-A727 HydrophobicContact CE2-CB 3.7Å
728	K	92.9	Very high	87.5	Confident	68 Å²	68	63 Å²	63	30%	0.296	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-132	145.3	173	-66.9	-171.2	176.7	-178	0	108.5	L72 A73 Q75 E178 P726	L72-K728 CarbonylContact O-C 3.58Å; A73-K728 HydrophobicContact CB-CG 3.97Å; Q75-K728 VanDerWaalsContact NE2-CE 3.25Å; E178-K728 IonicContact OE1-NZ 3.88Å; E178-K728 PolarHBondContact OE1-NZ 3.02Å; E178-K728 WeakPolarHBondContact OE2-CE 3.38Å; E178-K728 IonicContact OE2-NZ 2.76Å; E178-K728 PolarHBondContact OE2-NZ 3.17Å; P726-K728 VanDerWaalsContact C-N 3.3Å; P726-K728 PolarHBondContact O-N 2.86Å
729	Y	90.9	Very high	87.3	Confident	38 Å²	38	63.8 Å²	63.8	15%	0.149	33%	0.334	C	S	.	.			trans	-66.2	132.3	177.1	-178.8	-106.3	0	0	0	110.6	L72 G126 I162 L164 P731 P732	L72-Y729 WeakPolarHBondContact O-CB 3.34Å; L72-Y729 PolarHBondContact O-N 3.32Å; G126-Y729 VanDerWaalsContact CA-CD2 3.49Å; I162-Y729 HydrophobicContact CB-CD1 4.26Å; I162-Y729 HydrophobicContact CB-CE1 3.65Å; I162-Y729 HydrophobicContact CD1-CD1 4.27Å; I162-Y729 HydrophobicContact CD1-CD2 3.97Å; I162-Y729 HydrophobicContact CD1-CE1 3.85Å; I162-Y729 HydrophobicContact CD1-CE2 3.52Å; I162-Y729 HydrophobicContact CD1-CG 4.31Å; I162-Y729 VanDerWaalsContact CD1-CZ 3.45Å; I162-Y729 HydrophobicContact CG1-CE1 4.21Å; I162-Y729 HydrophobicContact CG2-CD1 3.84Å; I162-Y729 HydrophobicContact CG2-CE1 3.75Å; L164-Y729 HydrophobicContact CD2-CD1 4.22Å; Y729-P731 HydrophobicContact CD1-CG 4.33Å; Y729-P731 HydrophobicContact CE1-CB 4.11Å; Y729-P731 HydrophobicContact CE1-CG 3.85Å; Y729-P732 WeakPolarHBondContact OH-CD 3.48Å
730	V	86.1	Confident	87	Confident	85 Å²	85	67.6 Å²	67.6	52%	0.515	35%	0.354	S	S	.	.			trans	-118.6	123.1	170.3	-178.9	0	0	0	0	106.5
731	P	82.2	Confident	86.9	Confident	60 Å²	60	69.3 Å²	69.3	39%	0.39	37%	0.365	S	S	.	.			trans	-63.4	138.8	177.8	-20.5	31.9	0	0	0	111.3	L164 Y729	L164-P731 HydrophobicContact CD1-CG 3.58Å; L164-P731 HydrophobicContact CG-CG 4.48Å; Y729-P731 HydrophobicContact CD1-CG 4.33Å; Y729-P731 HydrophobicContact CE1-CB 4.11Å; Y729-P731 HydrophobicContact CE1-CG 3.85Å
732	P	77.4	Confident	86.8	Confident	60 Å²	60	66.6 Å²	66.6	39%	0.39	35%	0.352	S	S	.	.			trans	-67.3	148.6	172.8	29.3	-34.4	0	0	0	110.9	Y729 G734	Y729-P732 WeakPolarHBondContact OH-CD 3.48Å; P732-G734 PolarHBondContact O-N 3.46Å
733	E	74.4	Confident	86.4	Confident	158 Å²	158	73.8 Å²	73.8	74%	0.738	38%	0.383	S	S	*	.	S	Bend	trans	-77.1	88	174.4	-78.8	167.9	-149.9	0	0	109.9	K716	K716-E733 WeakPolarHBondContact CD-OE1 3.41Å; K716-E733 IonicContact NZ-OE1 2.71Å; K716-E733 PolarHBondContact NZ-OE1 3.3Å
734	G	76.1	Confident	85.9	Confident	58 Å²	58	73.5 Å²	73.5	60%	0.598	38%	0.383	S	S	*	.	S	Bend	trans	77.1	-155.3	-175.1	0	0	0	0	0	112.7	P732 P736	P732-G734 PolarHBondContact O-N 3.46Å; G734-P736 WeakPolarHBondContact O-CD 3.32Å
735	R	79.8	Confident	85.2	Confident	243 Å²	243	73.6 Å²	73.6	92%	0.917	39%	0.385	S	S	*	.	S	Bend	trans	-81.4	116.3	178.3	-169.2	-179.7	-163.9	174.8	4.5	109.4
736	P	78.2	Confident	84.1	Confident	68 Å²	68	72.6 Å²	72.6	44%	0.442	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-66.2	143.7	178.3	26.8	-33.6	0	0	0	111.1	F717 G734	F717-P736 HydrophobicContact CD2-CB 3.84Å; F717-P736 HydrophobicContact CE2-CB 3.86Å; G734-P736 WeakPolarHBondContact O-CD 3.32Å
737	P	86.5	Confident	82.7	Confident	38 Å²	38	74.1 Å²	74.1	25%	0.247	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-68.9	169.9	169.1	31.3	-35	0	0	0	110.7	F717 F742	F717-P737 HydrophobicContact CD1-CG 3.77Å; F717-P737 HydrophobicContact CD2-CG 4.33Å; F717-P737 HydrophobicContact CE1-CG 3.87Å; F717-P737 HydrophobicContact CE2-CG 4.39Å; F717-P737 VanDerWaalsContact CE2-O 3.27Å; F717-P737 WeakPolarHBondContact CE2-O 3.27Å; F717-P737 HydrophobicContact CG-CG 4.02Å; F717-P737 HydrophobicContact CZ-CG 4.18Å; F717-P737 WeakPolarHBondContact CZ-O 3.45Å; P737-F742 HydrophobicContact CB-CE2 4.02Å; P737-F742 HydrophobicContact CB-CZ 4.38Å; P737-F742 HydrophobicContact CG-CE2 3.77Å; P737-F742 HydrophobicContact CG-CZ 3.86Å
738	K	87.4	Confident	81.5	Confident	150 Å²	150	74.2 Å²	74.2	65%	0.652	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-87.9	146.9	170.6	-61.1	178.8	179	179.7	0	109.6	D740 D741 F742	K738-D740 PolarHBondContact O-N 2.89Å; K738-D741 WeakPolarHBondContact CB-OD2 3.4Å; K738-D741 PolarHBondContact N-OD2 3.04Å; K738-D741 WeakPolarHBondContact O-CB 3.14Å; K738-D741 PolarHBondContact O-N 2.96Å; K738-F742 WeakPolarHBondContact O-CD2 3.41Å
739	L	87.3	Confident	80.8	Confident	16 Å²	16	71.2 Å²	71.2	8%	0.084	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-63.3	-24	177.2	-170.3	56.1	0	0	0	112.6	P703 E704 R708 L718 Q721 Y722 D741 F742	P703-L739 HydrophobicContact CB-CB 4.39Å; P703-L739 HydrophobicContact CB-CD2 4.22Å; P703-L739 HydrophobicContact CB-CG 4.47Å; P703-L739 WeakPolarHBondContact O-CD2 3.45Å; E704-L739 HydrophobicContact CB-CD2 4.02Å; R708-L739 HydrophobicContact CG-CD1 4.08Å; R708-L739 VanDerWaalsContact CZ-O 3.22Å; R708-L739 PolarHBondContact NH1-O 2.83Å; L718-L739 HydrophobicContact CD2-CD1 4.11Å; Q721-L739 HydrophobicContact CB-CD2 4.46Å; Q721-L739 HydrophobicContact CG-CD1 4.38Å; Y722-L739 HydrophobicContact CE1-CD2 4.39Å; Y722-L739 HydrophobicContact CE2-CD1 4.24Å; L739-D741 VanDerWaalsContact C-N 3.34Å; L739-F742 HydrophobicContact CD1-CD2 4.5Å; L739-F742 PolarHBondContact O-N 2.91Å
740	D	85.6	Confident	80.7	Confident	88 Å²	88	71 Å²	71	47%	0.471	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-78.2	-13.9	176	-63.6	-54	0	0	0	114.8	P703 R708 K738 F742	P703-D740 WeakPolarHBondContact CB-OD1 3.23Å; P703-D740 VanDerWaalsContact CG-OD2 3.24Å; P703-D740 WeakPolarHBondContact CG-OD2 3.2Å; R708-D740 IonicContact CZ-OD1 3.66Å; R708-D740 IonicContact NH1-OD1 3.67Å; R708-D740 IonicContact NH2-OD1 3.15Å; R708-D740 PolarHBondContact NH2-OD1 2.83Å; K738-D740 PolarHBondContact O-N 2.89Å; D740-F742 PolarHBondContact O-N 3.36Å
741	D	87.3	Confident	80.9	Confident	110 Å²	110	67 Å²	67	59%	0.588	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-69.8	-18.1	171.1	-52.5	-27.2	0	0	0	111	K738 L739	K738-D741 WeakPolarHBondContact CB-OD2 3.4Å; K738-D741 PolarHBondContact N-OD2 3.04Å; K738-D741 WeakPolarHBondContact O-CB 3.14Å; K738-D741 PolarHBondContact O-N 2.96Å; L739-D741 VanDerWaalsContact C-N 3.34Å
742	F	88.1	Confident	81.5	Confident	15 Å²	15	65.7 Å²	65.7	7%	0.066	34%	0.343	C	S	.	.	S	Bend	trans	-89.2	130.4	179.3	-63.7	-94.7	0	0	0	111.9	R708 M711 H714 F717 L718 P737 K738 L739 D740 S744	R708-F742 HydrophobicContact CB-CB 4.17Å; R708-F742 WeakPolarHBondContact CD-O 3.29Å; R708-F742 HydrophobicContact CG-CB 4.24Å; R708-F742 PolarHBondContact NH1-O 2.85Å; M711-F742 HydrophobicContact CB-CD1 4.49Å; M711-F742 HydrophobicContact CB-CE1 4.17Å; M711-F742 HydrophobicContact CG-CD1 4.15Å; M711-F742 HydrophobicContact CG-CE1 4.23Å; H714-F742 HydrophobicContact CB-CE1 3.76Å; H714-F742 HydrophobicContact CB-CZ 3.7Å; H714-F742 AromaticContact CD2-CE1 3.62Å; H714-F742 AromaticContact CD2-CZ 3.71Å; H714-F742 AromaticContact CG-CE1 3.94Å; H714-F742 AromaticContact CG-CZ 3.76Å; F717-F742 AromaticContact CD1-CE2 3.95Å; F717-F742 HydrophobicContact CD1-CE2 3.95Å; F717-F742 HydrophobicContact CD1-CZ 4.04Å; F717-F742 HydrophobicContact CE1-CD2 4.33Å; F717-F742 AromaticContact CE1-CE2 3.57Å; F717-F742 HydrophobicContact CE1-CE2 3.57Å; F717-F742 HydrophobicContact CE1-CZ 4.15Å; L718-F742 HydrophobicContact CD1-CD1 4.12Å; L718-F742 HydrophobicContact CD1-CE1 3.86Å; L718-F742 HydrophobicContact CD2-CD1 3.88Å; L718-F742 HydrophobicContact CD2-CD2 4.16Å; L718-F742 HydrophobicContact CD2-CE1 3.88Å; L718-F742 HydrophobicContact CD2-CE2 4.17Å; L718-F742 HydrophobicContact CD2-CG 4.02Å; L718-F742 HydrophobicContact CD2-CZ 4.03Å; L718-F742 HydrophobicContact CG-CD1 4.42Å; L718-F742 HydrophobicContact CG-CE1 4.04Å; L718-F742 HydrophobicContact CG-CZ 4.27Å; P737-F742 HydrophobicContact CB-CE2 4.02Å; P737-F742 HydrophobicContact CB-CZ 4.38Å; P737-F742 HydrophobicContact CG-CE2 3.77Å; P737-F742 HydrophobicContact CG-CZ 3.86Å; K738-F742 WeakPolarHBondContact O-CD2 3.41Å; L739-F742 HydrophobicContact CD1-CD2 4.5Å; L739-F742 PolarHBondContact O-N 2.91Å; D740-F742 PolarHBondContact O-N 3.36Å; F742-S744 PolarHBondContact O-N 2.81Å
743	K	86.4	Confident	82.3	Confident	153 Å²	153	63 Å²	63	67%	0.665	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-59.5	129.6	178.7	-174.4	177.2	176.6	179	0	111.5	R708 K709	R708-K743 WeakPolarHBondContact CA-O 3.29Å; K709-K743 PolarHBondContact N-O 3.26Å
744	S	82.8	Confident	83.4	Confident	9 Å²	9	55.9 Å²	55.9	6%	0.063	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-55.8	140.2	169.8	174.7	0	0	0	0	111.9	H564 F742 R746	H564-S744 WeakPolarHBondContact NE2-CB 3.46Å; F742-S744 PolarHBondContact O-N 2.81Å; S744-R746 VanDerWaalsContact C-N 3.27Å; S744-R746 PolarHBondContact OG-N 2.87Å; S744-R746 PolarHBondContact OG-O 2.83Å
745	A	78.3	Confident	84.4	Confident	19 Å²	19	53.2 Å²	53.2	16%	0.157	27%	0.265	C	S	.	.	S	Bend	trans	-80.7	-6	168.4	0	0	0	0	0	112.9	V502 P707 K709	V502-A745 HydrophobicContact CB-CB 4.34Å; V502-A745 HydrophobicContact CG1-CB 3.62Å; V502-A745 HydrophobicContact CG2-CB 3.74Å; P707-A745 HydrophobicContact CB-CB 4.33Å; P707-A745 HydrophobicContact CG-CB 4.41Å; P707-A745 PolarHBondContact O-N 2.91Å; K709-A745 HydrophobicContact CG-CB 4.34Å
746	R	71.3	Confident	85.2	Confident	25 Å²	25	41.6 Å²	41.6	9%	0.094	22%	0.221	C	C	.	.			trans	-95.2	137.4	176.3	-48.9	-176.7	75	117.8	3.9	111	P707 S744 L769 P770 M771	P707-R746 HydrophobicContact CG-CG 3.82Å; S744-R746 VanDerWaalsContact C-N 3.27Å; S744-R746 PolarHBondContact OG-N 2.87Å; S744-R746 PolarHBondContact OG-O 2.83Å; R746-L769 PolarHBondContact NH2-O 2.8Å; R746-P770 VanDerWaalsContact NH2-C 3.29Å; R746-P770 PolarHBondContact NH2-O 3.14Å; R746-M771 PolarHBondContact NH2-SD 3.23Å
747	S	63.8	Low	86	Confident	86 Å²	86	38.8 Å²	38.8	60%	0.601	20%	0.204	S	C	*	.	S	Bend	trans	-86.6	-20.6	173.3	52.9	0	0	0	0	114
748	L	69.1	Low	86.3	Confident	11 Å²	11	40 Å²	40	6%	0.058	21%	0.208	C	C	.	.	S	Bend	trans	-102.7	154.7	179.2	-76.6	157.8	0	0	0	111.5	P770 P808 V811	L748-P770 HydrophobicContact CB-CG 3.96Å; L748-P770 HydrophobicContact CD1-CB 4.23Å; L748-P770 HydrophobicContact CD1-CG 4.12Å; L748-P808 HydrophobicContact CD2-CB 3.95Å; L748-V811 HydrophobicContact CD1-CG1 4.32Å; L748-V811 HydrophobicContact CD2-CB 4.18Å; L748-V811 HydrophobicContact CD2-CG1 4.29Å
749	G	79.1	Confident	86.5	Confident	6 Å²	6	38.8 Å²	38.8	6%	0.062	21%	0.209	C	C	.	.			trans	-72.5	-154.5	164.7	0	0	0	0	0	112.7	Y561 I562	Y561-G749 PolarHBondContact OH-N 2.84Å; I562-G749 WeakPolarHBondContact O-CA 3.47Å
750	H	87.1	Confident	86.7	Confident	34 Å²	34	40.5 Å²	40.5	16%	0.157	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	172.9	175.2	63.4	-81.5	0	0	0	110.7	Y561 I562 V701 L769	Y561-H750 WeakPolarHBondContact CD2-O 3.25Å; I562-H750 WeakPolarHBondContact CD1-NE2 3.38Å; I562-H750 WeakPolarHBondContact CG2-CE1 3.37Å; I562-H750 PolarHBondContact N-O 2.84Å; I562-H750 PolarHBondContact O-N 2.91Å; V701-H750 HydrophobicContact CG2-CB 4.18Å; V701-H750 VanDerWaalsContact CG2-CD2 3.43Å; V701-H750 WeakPolarHBondContact CG2-CD2 3.46Å; H750-L769 HydrophobicContact CB-CD2 3.72Å
751	F	90.2	Very high	87.1	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	146.3	170.8	-53.6	-98	0	0	0	110.8	I559 K560 Y561 V753 A767 F768 P770 A812 I815 I816	I559-F751 HydrophobicContact CD1-CB 4.18Å; I559-F751 HydrophobicContact CD1-CD1 3.94Å; I559-F751 HydrophobicContact CD1-CG 4.17Å; I559-F751 HydrophobicContact CG1-CB 4.08Å; I559-F751 HydrophobicContact CG1-CD1 4.02Å; I559-F751 HydrophobicContact CG1-CG 4.38Å; K560-F751 CarbonylContact O-C 3.56Å; K560-F751 VanDerWaalsContact O-CA 3.23Å; K560-F751 WeakPolarHBondContact O-CA 3.33Å; Y561-F751 AromaticContact CD2-CD1 3.95Å; Y561-F751 HydrophobicContact CD2-CD1 3.95Å; Y561-F751 AromaticContact CD2-CE1 3.55Å; Y561-F751 HydrophobicContact CD2-CE1 3.55Å; Y561-F751 HydrophobicContact CD2-CE2 4.37Å; Y561-F751 HydrophobicContact CD2-CG 4.5Å; Y561-F751 AromaticContact CD2-CZ 3.78Å; Y561-F751 HydrophobicContact CD2-CZ 3.78Å; Y561-F751 HydrophobicContact CE2-CZ 4.36Å; Y561-F751 HydrophobicContact CG-CD1 4.39Å; Y561-F751 HydrophobicContact CG-CE1 4.01Å; F751-V753 HydrophobicContact CB-CG2 4.27Å; F751-A767 CarbonylContact O-C 3.44Å; F751-A767 WeakPolarHBondContact O-CA 3.33Å; F751-F768 HydrophobicContact CB-CB 4.3Å; F751-F768 AromaticContact CD2-CD1 3.62Å; F751-F768 HydrophobicContact CD2-CD1 3.62Å; F751-F768 HydrophobicContact CD2-CE1 4.21Å; F751-F768 HydrophobicContact CE2-CD1 4.21Å; F751-F768 HydrophobicContact CE2-CE1 4.36Å; F751-F768 HydrophobicContact CG-CD1 4.37Å; F751-F768 PolarHBondContact N-O 2.96Å; F751-F768 PolarHBondContact O-N 3.18Å; F751-P770 HydrophobicContact CD2-CG 4.32Å; F751-P770 HydrophobicContact CE2-CB 4.22Å; F751-P770 HydrophobicContact CE2-CG 3.78Å; F751-A812 HydrophobicContact CE1-CB 4.12Å; F751-A812 HydrophobicContact CZ-CB 4.07Å; F751-I815 HydrophobicContact CD1-CG2 4.41Å; F751-I815 HydrophobicContact CD2-CG2 4.29Å; F751-I815 HydrophobicContact CE1-CB 4.21Å; F751-I815 HydrophobicContact CE1-CG2 3.91Å; F751-I815 HydrophobicContact CE2-CB 4.31Å; F751-I815 HydrophobicContact CE2-CD1 3.76Å; F751-I815 HydrophobicContact CE2-CG2 3.77Å; F751-I815 HydrophobicContact CZ-CB 3.75Å; F751-I815 HydrophobicContact CZ-CD1 3.76Å; F751-I815 HydrophobicContact CZ-CG1 4.35Å; F751-I815 HydrophobicContact CZ-CG2 3.58Å; F751-I816 HydrophobicContact CD1-CG1 4.41Å; F751-I816 HydrophobicContact CE1-CD1 4.35Å; F751-I816 HydrophobicContact CE1-CG1 4.11Å
752	E	95.1	Very high	87.6	Confident	33 Å²	33	36.5 Å²	36.5	15%	0.154	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122	162.3	168.5	172.4	101.8	0	0	106.9	I559 K560 I562 S699 D765	I559-E752 CarbonylContact C-O 3.56Å; I559-E752 WeakPolarHBondContact CA-O 3.44Å; K560-E752 HydrophobicContact CB-CB 4.29Å; K560-E752 HydrophobicContact CD-CB 4.13Å; K560-E752 HydrophobicContact CD-CG 4.31Å; K560-E752 WeakPolarHBondContact CD-OE1 3.48Å; K560-E752 WeakPolarHBondContact CE-OE1 3.4Å; K560-E752 PolarHBondContact N-O 3.39Å; K560-E752 IonicContact NZ-OE1 3.39Å; K560-E752 PolarHBondContact NZ-OE1 3.09Å; K560-E752 IonicContact NZ-OE2 2.97Å; K560-E752 PolarHBondContact NZ-OE2 3Å; K560-E752 PolarHBondContact O-N 3.23Å; I562-E752 HydrophobicContact CD1-CB 3.99Å; S699-E752 PolarHBondContact OG-OE2 2.93Å; E752-D765 HydrophobicContact CG-CB 4.49Å
753	V	95.4	Very high	88	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.024	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119	-177.7	-177	0	0	0	0	108.4	I556 I559 F751 I755 D765 V766 F768 L845	I556-V753 HydrophobicContact CG2-CG1 3.89Å; I559-V753 HydrophobicContact CD1-CG2 4.09Å; I559-V753 HydrophobicContact CG1-CG2 4.12Å; F751-V753 HydrophobicContact CB-CG2 4.27Å; V753-I755 HydrophobicContact CG1-CG1 4.34Å; V753-D765 WeakPolarHBondContact O-CA 3.48Å; V753-V766 HydrophobicContact CB-CG2 4.16Å; V753-V766 PolarHBondContact N-O 2.85Å; V753-V766 PolarHBondContact O-N 2.94Å; V753-F768 HydrophobicContact CG2-CB 3.85Å; V753-L845 HydrophobicContact CB-CD2 4.27Å; V753-L845 HydrophobicContact CG1-CD2 4.05Å; V753-L845 HydrophobicContact CG2-CD2 4.29Å
754	T	96.8	Very high	88.5	Confident	8 Å²	8	28.5 Å²	28.5	5%	0.049	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122.5	176.2	-53.8	0	0	0	0	109.5	T557 A558 W685 A763 I764 D765	T557-T754 PolarHBondContact N-O 2.88Å; T557-T754 PolarHBondContact OG1-O 2.92Å; A558-T754 PolarHBondContact O-N 3.23Å; W685-T754 HydrophobicContact CD2-CG2 4.48Å; W685-T754 HydrophobicContact CE3-CG2 4.22Å; W685-T754 HydrophobicContact CH2-CG2 3.73Å; W685-T754 HydrophobicContact CZ2-CG2 3.97Å; W685-T754 HydrophobicContact CZ3-CG2 3.84Å; T754-A763 HydrophobicContact CG2-CB 4.21Å; T754-I764 WeakPolarHBondContact CA-O 3.46Å; T754-D765 WeakPolarHBondContact CB-OD1 3.47Å; T754-D765 VanDerWaalsContact CG2-OD1 3.3Å; T754-D765 WeakPolarHBondContact CG2-OD1 3.44Å; T754-D765 PolarHBondContact OG1-OD1 3.4Å
755	I	96.5	Very high	89.2	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.9	174.4	-57	174.1	0	0	0	108.2	I532 I552 I555 V753 A763 I764 V766 L845	I532-I755 HydrophobicContact CD1-CG2 4.37Å; I552-I755 HydrophobicContact CD1-CD1 4.13Å; I552-I755 HydrophobicContact CD1-CG2 4.12Å; I555-I755 WeakPolarHBondContact O-CA 3.38Å; V753-I755 HydrophobicContact CG1-CG1 4.34Å; I755-A763 WeakPolarHBondContact O-CA 3.36Å; I755-I764 HydrophobicContact CB-CG2 4.04Å; I755-I764 PolarHBondContact N-O 3.27Å; I755-I764 PolarHBondContact O-N 2.6Å; I755-V766 HydrophobicContact CD1-CG2 4.13Å; I755-L845 HydrophobicContact CD1-CD1 4.27Å
756	L	96.6	Very high	90.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.2	175.2	-176.7	61	0	0	0	109.5	G554 I555 T557 L684 K688 L692 H760 A763	G554-L756 CarbonylContact C-O 3.55Å; G554-L756 WeakPolarHBondContact CA-O 3.18Å; I555-L756 PolarHBondContact N-O 3.22Å; I555-L756 PolarHBondContact O-N 2.87Å; T557-L756 HydrophobicContact CG2-CB 3.56Å; T557-L756 HydrophobicContact CG2-CD2 3.91Å; T557-L756 HydrophobicContact CG2-CG 4.4Å; L684-L756 HydrophobicContact CD2-CD2 4.11Å; L684-L756 HydrophobicContact CG-CD2 4.06Å; K688-L756 HydrophobicContact CB-CD2 4.13Å; K688-L756 HydrophobicContact CG-CD2 4.28Å; L692-L756 HydrophobicContact CD2-CD1 3.68Å; L756-H760 HydrophobicContact CD2-CB 4.2Å; L756-H760 HydrophobicContact CG-CB 4.44Å; L756-A763 HydrophobicContact CD1-CB 4.05Å
757	G	94.7	Very high	91.1	Very high	8 Å²	8	26.5 Å²	26.5	8%	0.082	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	156.9	177.1	0	0	0	0	0	112.6	N759 H760 I762	G757-N759 VanDerWaalsContact C-N 3.25Å; G757-N759 PolarHBondContact O-N 2.72Å; G757-N759 VanDerWaalsContact O-N 3.16Å; G757-H760 WeakPolarHBondContact O-CA 3.39Å; G757-H760 PolarHBondContact O-N 2.75Å; G757-I762 PolarHBondContact N-O 2.95Å
758	L	92.7	Very high	92.3	Very high	64 Å²	64	22.7 Å²	22.7	34%	0.335	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.6	-171.6	-59.4	-179.5	0	0	0	114.7	Q553 I555 H760	Q553-L758 HydrophobicContact CB-CD1 3.94Å; Q553-L758 HydrophobicContact CB-CG 4.3Å; I555-L758 HydrophobicContact CG1-CD2 4.46Å; L758-H760 PolarHBondContact O-N 3.08Å
759	N	91.7	Very high	92.9	Very high	124 Å²	124	22.9 Å²	22.9	66%	0.663	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-15.6	172	-66.6	11.3	0	0	0	113.1	G757 E761	G757-N759 VanDerWaalsContact C-N 3.25Å; G757-N759 PolarHBondContact O-N 2.72Å; G757-N759 VanDerWaalsContact O-N 3.16Å; N759-E761 HydrophobicContact CB-CB 4.25Å; N759-E761 HydrophobicContact CB-CG 3.92Å; N759-E761 WeakPolarHBondContact CB-OE2 3.4Å; N759-E761 PolarHBondContact ND2-OE2 2.82Å; N759-E761 PolarHBondContact O-N 3.17Å
760	H	93.3	Very high	92.6	Very high	52 Å²	52	22.8 Å²	22.8	24%	0.241	12%	0.117	C	C	.	.	S	Bend	trans	62.8	18.4	-168.9	-45.2	109.2	0	0	0	115.3	K688 L756 G757 L758	K688-H760 HydrophobicContact CD-CB 3.93Å; K688-H760 HydrophobicContact CG-CB 4.16Å; L756-H760 HydrophobicContact CD2-CB 4.2Å; L756-H760 HydrophobicContact CG-CB 4.44Å; G757-H760 WeakPolarHBondContact O-CA 3.39Å; G757-H760 PolarHBondContact O-N 2.75Å; L758-H760 PolarHBondContact O-N 3.08Å
761	E	94	Very high	91.4	Very high	84 Å²	84	22 Å²	22	39%	0.393	11%	0.113	S	C	.	.	S	Bend	trans	-94.2	-27.9	-178.7	-67.5	170.1	140.8	0	0	113.7	L692 I693 N759	L692-E761 CarbonylContact C-O 3.59Å; L692-E761 WeakPolarHBondContact CA-O 3.42Å; I693-E761 HydrophobicContact CD1-CB 3.97Å; I693-E761 HydrophobicContact CD1-CG 4.1Å; I693-E761 HydrophobicContact CG1-CB 4.21Å; I693-E761 PolarHBondContact N-O 3.3Å; N759-E761 HydrophobicContact CB-CB 4.25Å; N759-E761 HydrophobicContact CB-CG 3.92Å; N759-E761 WeakPolarHBondContact CB-OE2 3.4Å; N759-E761 PolarHBondContact ND2-OE2 2.82Å; N759-E761 PolarHBondContact O-N 3.17Å
762	I	96.2	Very high	89.3	Confident	31 Å²	31	26.5 Å²	26.5	16%	0.159	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.9	-176.7	-57.4	177.1	0	0	0	109.1	I532 D694 G757	I532-I762 HydrophobicContact CB-CG2 4.47Å; I532-I762 HydrophobicContact CG2-CB 4.4Å; I532-I762 HydrophobicContact CG2-CG2 3.68Å; D694-I762 HydrophobicContact CB-CG1 4.36Å; D694-I762 HydrophobicContact CB-CG2 4.29Å; D694-I762 WeakPolarHBondContact O-CA 3.24Å; G757-I762 PolarHBondContact N-O 2.95Å
763	A	96.9	Very high	86.8	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	155.5	171.5	0	0	0	0	0	111.5	W685 L692 D694 H695 L696 T754 I755 L756	W685-A763 HydrophobicContact CH2-CB 3.9Å; W685-A763 HydrophobicContact CZ3-CB 3.76Å; L692-A763 HydrophobicContact CD1-CB 3.72Å; L692-A763 HydrophobicContact CD2-CB 4.49Å; D694-A763 PolarHBondContact O-N 3.47Å; H695-A763 WeakPolarHBondContact CA-O 2.99Å; L696-A763 PolarHBondContact N-O 3.24Å; T754-A763 HydrophobicContact CG2-CB 4.21Å; I755-A763 WeakPolarHBondContact O-CA 3.36Å; L756-A763 HydrophobicContact CD1-CB 4.05Å
764	I	97.3	Very high	84	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.9	172	-174.8	171.3	0	0	0	110.5	I532 V535 I552 L696 Y698 T754 I755 V766 L831 V843	I532-I764 HydrophobicContact CD1-CG2 4.25Å; I532-I764 HydrophobicContact CG2-CB 4.24Å; I532-I764 HydrophobicContact CG2-CG2 4.15Å; V535-I764 HydrophobicContact CG1-CD1 3.83Å; I552-I764 HydrophobicContact CD1-CG2 3.93Å; L696-I764 HydrophobicContact CB-CB 3.95Å; L696-I764 HydrophobicContact CB-CD1 4.25Å; L696-I764 HydrophobicContact CB-CG1 3.75Å; L696-I764 HydrophobicContact CD1-CB 4.45Å; L696-I764 HydrophobicContact CD1-CD1 4.25Å; L696-I764 HydrophobicContact CD1-CG1 4.49Å; L696-I764 CarbonylContact O-C 3.52Å; L696-I764 WeakPolarHBondContact O-CA 3.16Å; Y698-I764 HydrophobicContact CD2-CD1 4.03Å; Y698-I764 HydrophobicContact CD2-CG1 4.26Å; T754-I764 WeakPolarHBondContact CA-O 3.46Å; I755-I764 HydrophobicContact CB-CG2 4.04Å; I755-I764 PolarHBondContact N-O 3.27Å; I755-I764 PolarHBondContact O-N 2.6Å; I764-V766 HydrophobicContact CD1-CG1 3.81Å; I764-V766 HydrophobicContact CG1-CG1 3.71Å; I764-V766 HydrophobicContact CG2-CG1 4.34Å; I764-L831 HydrophobicContact CD1-CD1 4.42Å; I764-V843 HydrophobicContact CD1-CG1 4.4Å
765	D	97.1	Very high	81.1	Confident	10 Å²	10	34.3 Å²	34.3	5%	0.053	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	122.1	166.7	-55.1	-32.9	0	0	0	108.4	H695 L696 H697 Y698 S699 E752 V753 T754	H695-D765 IonicContact CD2-OD2 2.78Å; H695-D765 IonicContact CE1-OD1 1.88Å; H695-D765 IonicContact CE1-OD2 2.97Å; H695-D765 IonicContact NE2-OD1 3.96Å; H695-D765 PolarHBondContact NE2-OD1 2.97Å; H695-D765 IonicContact NE2-OD2 3.29Å; H695-D765 PolarHBondContact NE2-OD2 3.07Å; L696-D765 PolarHBondContact O-N 2.84Å; H697-D765 IonicContact CE1-OD2 2.6Å; H697-D765 IonicContact CG-OD2 3.13Å; H697-D765 IonicContact ND1-OD2 3.96Å; H697-D765 PolarHBondContact ND1-OD2 3.47Å; Y698-D765 CarbonylContact C-O 3.57Å; Y698-D765 VanDerWaalsContact CA-O 3.26Å; Y698-D765 WeakPolarHBondContact CA-O 3.41Å; Y698-D765 PolarHBondContact N-O 3.29Å; S699-D765 PolarHBondContact N-O 3.35Å; E752-D765 HydrophobicContact CG-CB 4.49Å; V753-D765 WeakPolarHBondContact O-CA 3.48Å; T754-D765 WeakPolarHBondContact CB-OD1 3.47Å; T754-D765 VanDerWaalsContact CG2-OD1 3.3Å; T754-D765 WeakPolarHBondContact CG2-OD1 3.44Å; T754-D765 PolarHBondContact OG1-OD1 3.4Å
766	V	96.5	Very high	78.1	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	154.9	178.4	-59.8	0	0	0	0	110.6	V753 I755 I764 L831 V843 L845	V753-V766 HydrophobicContact CB-CG2 4.16Å; V753-V766 PolarHBondContact N-O 2.85Å; V753-V766 PolarHBondContact O-N 2.94Å; I755-V766 HydrophobicContact CD1-CG2 4.13Å; I764-V766 HydrophobicContact CD1-CG1 3.81Å; I764-V766 HydrophobicContact CG1-CG1 3.71Å; I764-V766 HydrophobicContact CG2-CG1 4.34Å; V766-L831 HydrophobicContact CB-CD2 4.36Å; V766-L831 HydrophobicContact CG1-CD1 4.2Å; V766-L831 HydrophobicContact CG1-CD2 3.99Å; V766-L831 HydrophobicContact CG2-CD2 4.29Å; V766-V843 HydrophobicContact CB-CG1 4.22Å; V766-V843 HydrophobicContact CG1-CB 4.43Å; V766-V843 HydrophobicContact CG1-CG1 3.56Å; V766-L845 HydrophobicContact CG2-CB 3.86Å; V766-L845 HydrophobicContact CG2-CD2 4.22Å; V766-L845 HydrophobicContact CG2-CG 4.49Å
767	A	93.7	Very high	74.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.7	175.1	0	0	0	0	0	110.5	V701 F751 V843 Y844 L845	V701-A767 HydrophobicContact CG2-CB 3.93Å; F751-A767 CarbonylContact O-C 3.44Å; F751-A767 WeakPolarHBondContact O-CA 3.33Å; A767-V843 PolarHBondContact N-O 3.27Å; A767-V843 VanDerWaalsContact N-O 3.12Å; A767-Y844 HydrophobicContact CB-CD1 3.56Å; A767-Y844 HydrophobicContact CB-CE1 3.47Å; A767-Y844 VanDerWaalsContact CB-CE1 3.47Å; A767-Y844 WeakPolarHBondContact O-CA 3.37Å; A767-L845 PolarHBondContact O-N 3.34Å
768	F	89.5	Confident	71.9	Confident	6 Å²	6	52 Å²	52	3%	0.026	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.8	166.4	174.9	-122.7	0	0	0	110.4	F751 V753 P770 S788 M789 I815 L845	F751-F768 HydrophobicContact CB-CB 4.3Å; F751-F768 AromaticContact CD2-CD1 3.62Å; F751-F768 HydrophobicContact CD2-CD1 3.62Å; F751-F768 HydrophobicContact CD2-CE1 4.21Å; F751-F768 HydrophobicContact CE2-CD1 4.21Å; F751-F768 HydrophobicContact CE2-CE1 4.36Å; F751-F768 HydrophobicContact CG-CD1 4.37Å; F751-F768 PolarHBondContact N-O 2.96Å; F751-F768 PolarHBondContact O-N 3.18Å; V753-F768 HydrophobicContact CG2-CB 3.85Å; F768-P770 HydrophobicContact CE1-CB 4.08Å; F768-P770 HydrophobicContact CZ-CB 4.22Å; F768-S788 WeakPolarHBondContact CZ-OG 3.38Å; F768-M789 HydrophobicContact CD2-CG 4.15Å; F768-M789 HydrophobicContact CD2-SD 4.49Å; F768-M789 HydrophobicContact CE2-CG 3.38Å; F768-M789 HydrophobicContact CE2-SD 4.24Å; F768-M789 HydrophobicContact CZ-CG 3.8Å; F768-I815 HydrophobicContact CE1-CG2 4.28Å; F768-L845 HydrophobicContact CB-CB 4.32Å; F768-L845 WeakPolarHBondContact CD2-O 3.43Å
769	L	81.7	Confident	69.1	Low	15 Å²	15	52.5 Å²	52.5	8%	0.079	26%	0.258	C	S	.	.			trans	-119.5	87.8	-171.1	-83.7	175.4	0	0	0	110.3	Y506 V701 R746 H750 M771 Y844	Y506-L769 HydrophobicContact CD1-CD1 3.67Å; Y506-L769 HydrophobicContact CE1-CD1 4.34Å; Y506-L769 HydrophobicContact CG-CD1 4.49Å; V701-L769 HydrophobicContact CG1-CD2 4.38Å; V701-L769 HydrophobicContact CG2-CD2 4.46Å; R746-L769 PolarHBondContact NH2-O 2.8Å; H750-L769 HydrophobicContact CB-CD2 3.72Å; L769-M771 PolarHBondContact O-N 2.94Å; L769-Y844 HydrophobicContact CD1-CD1 3.55Å; L769-Y844 HydrophobicContact CD1-CD2 4.35Å; L769-Y844 HydrophobicContact CD1-CE1 3.35Å; L769-Y844 HydrophobicContact CD1-CE2 4.11Å; L769-Y844 HydrophobicContact CD1-CG 4.12Å; L769-Y844 HydrophobicContact CG-CD1 4.05Å; L769-Y844 HydrophobicContact CG-CE1 4.02Å
770	P	71.3	Confident	66.1	Low	4 Å²	4	51.7 Å²	51.7	3%	0.026	26%	0.262	C	S	.	.			trans	-63.7	127.2	-170.9	29.8	-39.6	0	0	0	112.2	R746 L748 F751 F768 I815	R746-P770 VanDerWaalsContact NH2-C 3.29Å; R746-P770 PolarHBondContact NH2-O 3.14Å; L748-P770 HydrophobicContact CB-CG 3.96Å; L748-P770 HydrophobicContact CD1-CB 4.23Å; L748-P770 HydrophobicContact CD1-CG 4.12Å; F751-P770 HydrophobicContact CD2-CG 4.32Å; F751-P770 HydrophobicContact CE2-CB 4.22Å; F751-P770 HydrophobicContact CE2-CG 3.78Å; F768-P770 HydrophobicContact CE1-CB 4.08Å; F768-P770 HydrophobicContact CZ-CB 4.22Å; P770-I815 HydrophobicContact CB-CD1 4.09Å
771	M	61.5	Low	63.2	Low	19 Å²	19	57.9 Å²	57.9	9%	0.094	29%	0.291	C	S	.	.			trans	-105.8	120	171.3	-68	-60.7	-61.1	0	0	108.7	R746 L769 C793 Y795	R746-M771 PolarHBondContact NH2-SD 3.23Å; L769-M771 PolarHBondContact O-N 2.94Å; M771-C793 HydrophobicContact CE-CB 4.01Å; M771-Y795 HydrophobicContact CE-CD1 3.88Å; M771-Y795 HydrophobicContact CE-CE1 3.73Å; M771-Y795 HydrophobicContact SD-CE1 4.45Å
772	Y	46.9	Very low	60.4	Low	94 Å²	94	59.8 Å²	59.8	37%	0.369	30%	0.302	S	S	.	.			trans	-124.3	118.1	-176.3	-172.5	-91.7	0	0	0	109.9	P774 L805	Y772-P774 HydrophobicContact CD1-CG 4.42Å; Y772-P774 HydrophobicContact CE1-CG 4.14Å; Y772-L805 HydrophobicContact CE1-CD2 4.46Å
773	C	43.6	Very low	58	Low	39 Å²	39	60.6 Å²	60.6	26%	0.264	31%	0.307	S	S	.	.			trans	-112.2	124.9	169.8	-173	0	0	0	0	108.9	E775	C773-E775 PolarHBondContact O-N 3.31Å
774	P	36.5	Very low	55.9	Low	45 Å²	45	63.4 Å²	63.4	29%	0.292	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-8.9	-179	-25.3	35.9	0	0	0	116.9	Y772 L805	Y772-P774 HydrophobicContact CD1-CG 4.42Å; Y772-P774 HydrophobicContact CE1-CG 4.14Å; P774-L805 HydrophobicContact CB-CD2 3.89Å; P774-L805 HydrophobicContact CG-CD1 4.23Å; P774-L805 HydrophobicContact CG-CD2 3.82Å
775	E	35.3	Very low	53.9	Low	125 Å²	125	63.7 Å²	63.7	58%	0.584	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-11.7	-152.1	-66.2	168.5	-175.7	0	0	115.7	C773 I777	C773-E775 PolarHBondContact O-N 3.31Å; E775-I777 PolarHBondContact O-N 2.93Å
776	D	33.1	Very low	52	Low	38 Å²	38	64.3 Å²	64.3	20%	0.203	33%	0.329	C	S	.	.			trans	-95.3	99.3	175.1	-158	-30.4	0	0	0	112.5	R778 T779 Y791	D776-R778 PolarHBondContact O-N 3.21Å; D776-R778 WeakPolarHBondContact OD1-CB 3.4Å; D776-R778 VanDerWaalsContact OD1-CG 3.23Å; D776-R778 WeakPolarHBondContact OD1-CG 3.49Å; D776-R778 IonicContact OD1-CZ 3.55Å; D776-R778 PolarHBondContact OD1-N 3.3Å; D776-R778 IonicContact OD1-NE 3.68Å; D776-R778 PolarHBondContact OD1-NE 3.05Å; D776-R778 IonicContact OD1-NH2 3.77Å; D776-R778 IonicContact OD2-CZ 2.8Å; D776-R778 IonicContact OD2-NE 3.67Å; D776-R778 PolarHBondContact OD2-NE 3.14Å; D776-R778 IonicContact OD2-NH2 2.84Å; D776-R778 PolarHBondContact OD2-NH2 3.21Å; D776-T779 HydrophobicContact CB-CG2 4.29Å; D776-T779 VanDerWaalsContact O-CG2 3.29Å; D776-T779 WeakPolarHBondContact O-CG2 3.34Å; D776-T779 PolarHBondContact O-N 3.15Å; D776-T779 PolarHBondContact O-OG1 3Å; D776-Y791 PolarHBondContact OD2-OH 2.77Å
777	I	29.6	Very low	50.1	Low	162 Å²	162	65.6 Å²	65.6	83%	0.831	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-12.6	179	-63.6	171.3	0	0	0	112.7	E775 T779	E775-I777 PolarHBondContact O-N 2.93Å; I777-T779 VanDerWaalsContact C-N 3.3Å; I777-T779 PolarHBondContact O-N 3.23Å
778	R	32.5	Very low	48	Very low	181 Å²	181	66.3 Å²	66.3	68%	0.683	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	4.1	-178.2	-51.9	174.1	-59.3	140.3	8.6	114	D776 S780	D776-R778 PolarHBondContact O-N 3.21Å; D776-R778 WeakPolarHBondContact OD1-CB 3.4Å; D776-R778 VanDerWaalsContact OD1-CG 3.23Å; D776-R778 WeakPolarHBondContact OD1-CG 3.49Å; D776-R778 IonicContact OD1-CZ 3.55Å; D776-R778 PolarHBondContact OD1-N 3.3Å; D776-R778 IonicContact OD1-NE 3.68Å; D776-R778 PolarHBondContact OD1-NE 3.05Å; D776-R778 IonicContact OD1-NH2 3.77Å; D776-R778 IonicContact OD2-CZ 2.8Å; D776-R778 IonicContact OD2-NE 3.67Å; D776-R778 PolarHBondContact OD2-NE 3.14Å; D776-R778 IonicContact OD2-NH2 2.84Å; D776-R778 PolarHBondContact OD2-NH2 3.21Å; R778-S780 VanDerWaalsContact C-N 3.25Å; R778-S780 PolarHBondContact O-N 3.26Å
779	T	33.6	Very low	46.5	Very low	74 Å²	74	66.7 Å²	66.7	45%	0.454	34%	0.344	S	S	.	.			trans	-78.4	9.6	-172.3	45.3	0	0	0	0	115.6	D776 I777 Q781	D776-T779 HydrophobicContact CB-CG2 4.29Å; D776-T779 VanDerWaalsContact O-CG2 3.29Å; D776-T779 WeakPolarHBondContact O-CG2 3.34Å; D776-T779 PolarHBondContact O-N 3.15Å; D776-T779 PolarHBondContact O-OG1 3Å; I777-T779 VanDerWaalsContact C-N 3.3Å; I777-T779 PolarHBondContact O-N 3.23Å; T779-Q781 VanDerWaalsContact C-N 3.31Å; T779-Q781 PolarHBondContact O-N 3.01Å; T779-Q781 VanDerWaalsContact O-N 3.16Å
780	S	27.9	Very low	44.7	Very low	107 Å²	107	69.2 Å²	69.2	75%	0.748	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-2.6	-167	58.1	0	0	0	0	117.2	R778	R778-S780 VanDerWaalsContact C-N 3.25Å; R778-S780 PolarHBondContact O-N 3.26Å
781	Q	33.3	Very low	43.6	Very low	181 Å²	181	73.9 Å²	73.9	85%	0.846	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.6	9.5	-171.6	-68.4	-167.3	-25.5	0	0	116.9	T779	T779-Q781 VanDerWaalsContact C-N 3.31Å; T779-Q781 PolarHBondContact O-N 3.01Å; T779-Q781 VanDerWaalsContact O-N 3.16Å
782	I	34.6	Very low	42.7	Very low	124 Å²	124	75.1 Å²	75.1	64%	0.636	39%	0.386	S	S	*	.	S	Bend	trans	-124.8	126	179	-56.8	-177.3	0	0	0	112.5	T787	I782-T787 WeakPolarHBondContact CG2-OG1 3.24Å; I782-T787 PolarHBondContact O-OG1 3.29Å
783	D	46.5	Very low	42.5	Very low	49 Å²	49	70.7 Å²	70.7	26%	0.262	37%	0.369	S	S	.	.			trans	-23.4	121	178.2	-176.7	14.1	0	0	0	115.7	L785 L786 T787 A818	D783-L785 PolarHBondContact O-N 3.39Å; D783-L786 HydrophobicContact CB-CB 4.42Å; D783-L786 HydrophobicContact CB-CD1 4.4Å; D783-L786 PolarHBondContact O-N 3.02Å; D783-L786 WeakPolarHBondContact OD2-CD1 3.39Å; D783-L786 WeakPolarHBondContact OD2-CG 3.4Å; D783-T787 VanDerWaalsContact O-CB 3.23Å; D783-T787 WeakPolarHBondContact O-CB 3.37Å; D783-T787 PolarHBondContact O-N 2.96Å; D783-T787 PolarHBondContact O-OG1 2.8Å; D783-A818 WeakPolarHBondContact OD1-CB 3.33Å
784	T	52.8	Low	42.3	Very low	59 Å²	59	71.1 Å²	71.1	36%	0.362	38%	0.375	S	S	.	.	H	α-helix	trans	-64.7	-38.8	-166.6	-48.7	0	0	0	0	113.1	S788 D814 I815	T784-S788 VanDerWaalsContact O-CB 3.23Å; T784-S788 WeakPolarHBondContact O-CB 3.37Å; T784-S788 PolarHBondContact O-N 3.49Å; T784-S788 PolarHBondContact O-OG 3.05Å; T784-D814 HydrophobicContact CG2-CB 4.08Å; T784-I815 HydrophobicContact CG2-CG1 4.06Å
785	L	55	Low	42.9	Very low	5 Å²	5	70.9 Å²	70.9	3%	0.026	37%	0.369	C	S	.	.	H	α-helix	trans	-69.5	-48.8	179.9	173.4	142.7	0	0	0	110.6	I559 D783 S788 M789 I815 A818 A819 L822 I848	I559-L785 HydrophobicContact CD1-CD1 4.19Å; D783-L785 PolarHBondContact O-N 3.39Å; L785-S788 PolarHBondContact O-N 3.45Å; L785-S788 PolarHBondContact O-OG 3.44Å; L785-M789 HydrophobicContact CD2-CE 3.26Å; L785-M789 HydrophobicContact CG-CE 3.62Å; L785-M789 WeakPolarHBondContact O-CE 3.26Å; L785-M789 PolarHBondContact O-N 2.84Å; L785-I815 HydrophobicContact CB-CG2 4.33Å; L785-I815 HydrophobicContact CD1-CG2 3.97Å; L785-I815 HydrophobicContact CG-CG2 4.43Å; L785-A818 HydrophobicContact CB-CB 3.41Å; L785-A818 VanDerWaalsContact CB-CB 3.41Å; L785-A819 HydrophobicContact CD1-CB 3.81Å; L785-L822 HydrophobicContact CD2-CD1 3.83Å; L785-I848 HydrophobicContact CD2-CD1 4.19Å
786	L	56.3	Low	43.1	Very low	23 Å²	23	67.1 Å²	67.1	12%	0.12	36%	0.355	C	S	.	.	H	α-helix	trans	-64	-43.3	176.3	-64.5	178.1	0	0	0	112.2	D783 S788 M789 N790 I848	D783-L786 HydrophobicContact CB-CB 4.42Å; D783-L786 HydrophobicContact CB-CD1 4.4Å; D783-L786 PolarHBondContact O-N 3.02Å; D783-L786 WeakPolarHBondContact OD2-CD1 3.39Å; D783-L786 WeakPolarHBondContact OD2-CG 3.4Å; L786-S788 VanDerWaalsContact C-N 3.32Å; L786-S788 PolarHBondContact O-N 3.01Å; L786-M789 HydrophobicContact CD2-CE 4.42Å; L786-M789 PolarHBondContact O-N 2.84Å; L786-M789 VanDerWaalsContact O-N 3.1Å; L786-N790 PolarHBondContact O-N 2.98Å; L786-N790 PolarHBondContact O-ND2 3.48Å; L786-N790 VanDerWaalsContact O-ND2 3.16Å; L786-I848 HydrophobicContact CD2-CB 3.99Å; L786-I848 HydrophobicContact CD2-CG2 4.17Å
787	T	56.7	Low	43.6	Very low	28 Å²	28	69.5 Å²	69.5	17%	0.172	37%	0.365	C	S	.	.	H	α-helix	trans	-60.3	-40.1	174.6	-65.7	0	0	0	0	111.9	I782 D783 M789 N790 Y791	I782-T787 WeakPolarHBondContact CG2-OG1 3.24Å; I782-T787 PolarHBondContact O-OG1 3.29Å; D783-T787 VanDerWaalsContact O-CB 3.23Å; D783-T787 WeakPolarHBondContact O-CB 3.37Å; D783-T787 PolarHBondContact O-N 2.96Å; D783-T787 PolarHBondContact O-OG1 2.8Å; T787-M789 PolarHBondContact O-N 3.19Å; T787-N790 PolarHBondContact O-N 3.01Å; T787-Y791 HydrophobicContact CG2-CD2 4.49Å; T787-Y791 HydrophobicContact CG2-CE2 4.39Å
788	S	50.5	Low	44.2	Very low	15 Å²	15	67 Å²	67	11%	0.105	35%	0.354	C	S	.	.	H	α-helix	trans	-69.7	-10	176.6	72.6	0	0	0	0	115	F768 T784 L785 L786	F768-S788 WeakPolarHBondContact CZ-OG 3.38Å; T784-S788 VanDerWaalsContact O-CB 3.23Å; T784-S788 WeakPolarHBondContact O-CB 3.37Å; T784-S788 PolarHBondContact O-N 3.49Å; T784-S788 PolarHBondContact O-OG 3.05Å; L785-S788 PolarHBondContact O-N 3.45Å; L785-S788 PolarHBondContact O-OG 3.44Å; L786-S788 VanDerWaalsContact C-N 3.32Å; L786-S788 PolarHBondContact O-N 3.01Å
789	M	57.3	Low	44.5	Very low	14 Å²	14	62.4 Å²	62.4	7%	0.069	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-7	169.7	-81.3	-179.9	-87.3	0	0	113.8	F768 L785 L786 T787 L845 H846 K847 I848	F768-M789 HydrophobicContact CD2-CG 4.15Å; F768-M789 HydrophobicContact CD2-SD 4.49Å; F768-M789 HydrophobicContact CE2-CG 3.38Å; F768-M789 HydrophobicContact CE2-SD 4.24Å; F768-M789 HydrophobicContact CZ-CG 3.8Å; L785-M789 HydrophobicContact CD2-CE 3.26Å; L785-M789 HydrophobicContact CG-CE 3.62Å; L785-M789 WeakPolarHBondContact O-CE 3.26Å; L785-M789 PolarHBondContact O-N 2.84Å; L786-M789 HydrophobicContact CD2-CE 4.42Å; L786-M789 PolarHBondContact O-N 2.84Å; L786-M789 VanDerWaalsContact O-N 3.1Å; T787-M789 PolarHBondContact O-N 3.19Å; M789-L845 HydrophobicContact SD-CG 4.26Å; M789-H846 WeakPolarHBondContact CG-O 3.49Å; M789-K847 HydrophobicContact CB-CB 4.46Å; M789-K847 HydrophobicContact CB-CG 4.47Å; M789-K847 VanDerWaalsContact SD-CA 3.52Å; M789-I848 HydrophobicContact CE-CB 4.12Å; M789-I848 HydrophobicContact CE-CD1 3.77Å; M789-I848 HydrophobicContact CE-CG1 3.91Å; M789-I848 HydrophobicContact SD-CB 4.22Å; M789-I848 HydrophobicContact SD-CD1 4.24Å; M789-I848 HydrophobicContact SD-CG1 3.84Å; M789-I848 PolarHBondContact SD-N 3.44Å; M789-I848 VanDerWaalsContact SD-N 3.44Å
790	N	44.8	Very low	44.7	Very low	68 Å²	68	66.2 Å²	66.2	36%	0.364	37%	0.369	S	S	.	.	S	Bend	trans	-96.4	-3.9	-174.7	-78.2	-33.2	0	0	0	114.5	L786 T787 K847	L786-N790 PolarHBondContact O-N 2.98Å; L786-N790 PolarHBondContact O-ND2 3.48Å; L786-N790 VanDerWaalsContact O-ND2 3.16Å; T787-N790 PolarHBondContact O-N 3.01Å; N790-K847 WeakPolarHBondContact OD1-CE 3.44Å; N790-K847 PolarHBondContact OD1-NZ 3.34Å
791	Y	46.1	Very low	45.2	Very low	101 Å²	101	63.5 Å²	63.5	40%	0.396	36%	0.358	S	S	.	.			trans	-108.4	138.8	-171.8	-91.6	-92.5	0	0	0	114.7	D776 T787	D776-Y791 PolarHBondContact OD2-OH 2.77Å; T787-Y791 HydrophobicContact CG2-CD2 4.49Å; T787-Y791 HydrophobicContact CG2-CE2 4.39Å
792	S	43	Very low	45.2	Very low	46 Å²	46	63 Å²	63	32%	0.322	36%	0.361	S	S	.	.			trans	-70.8	153.5	174.9	94.7	0	0	0	0	112	A794	S792-A794 PolarHBondContact O-N 3.37Å
793	C	42.5	Very low	45.5	Very low	1 Å²	1	64.2 Å²	64.2	1%	0.007	37%	0.369	C	S	.	.			trans	-74.5	80	-176.2	-72.7	0	0	0	0	113.8	Y507 P508 M771	Y507-C793 HydrophobicContact CD2-CB 3.75Å; Y507-C793 HydrophobicContact CE2-CB 3.27Å; Y507-C793 PolarHBondContact OH-O 2.86Å; P508-C793 WeakPolarHBondContact CD-SG 3.04Å; P508-C793 WeakPolarHBondContact CG-SG 3.29Å; M771-C793 HydrophobicContact CE-CB 4.01Å
794	A	40	Very low	45.3	Very low	48 Å²	48	73.7 Å²	73.7	40%	0.397	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-85.7	123.6	148.2	0	0	0	0	0	108.5	S792	S792-A794 PolarHBondContact O-N 3.37Å
795	Y	48.6	Very low	45.2	Very low	39 Å²	39	75.3 Å²	75.3	15%	0.153	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-78	122.5	166.1	-62.1	-75.6	0	0	0	107.2	F383 V502 P707 M771 Q797	F383-Y795 HydrophobicContact CD2-CD2 4.49Å; F383-Y795 AromaticContact CD2-CE2 3.79Å; F383-Y795 HydrophobicContact CD2-CE2 3.79Å; F383-Y795 AromaticContact CE2-CE2 3.79Å; F383-Y795 HydrophobicContact CE2-CE2 3.79Å; F383-Y795 HydrophobicContact CG-CE2 4.36Å; F383-Y795 HydrophobicContact CZ-CE2 4.38Å; V502-Y795 HydrophobicContact CG1-CD2 4.29Å; V502-Y795 HydrophobicContact CG1-CE2 4.12Å; V502-Y795 HydrophobicContact CG2-CD2 4.47Å; P707-Y795 HydrophobicContact CB-CE1 4.27Å; P707-Y795 HydrophobicContact CG-CE1 3.72Å; M771-Y795 HydrophobicContact CE-CD1 3.88Å; M771-Y795 HydrophobicContact CE-CE1 3.73Å; M771-Y795 HydrophobicContact SD-CE1 4.45Å; Y795-Q797 PolarHBondContact O-N 2.75Å
796	P	41	Very low	45.3	Very low	47 Å²	47	78.3 Å²	78.3	31%	0.305	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-62.2	140.5	-177	26	-34.7	0	0	0	110.4
797	Q	43.8	Very low	45.6	Very low	88 Å²	88	79.2 Å²	79.2	41%	0.411	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-63	145.2	167.2	-54.8	-166.4	27.6	0	0	108.7	E413 Y795 T799	E413-Q797 PolarHBondContact OE2-NE2 3.28Å; Y795-Q797 PolarHBondContact O-N 2.75Å; Q797-T799 VanDerWaalsContact C-N 3.25Å; Q797-T799 PolarHBondContact O-N 3.14Å
798	D	42.3	Very low	46.1	Very low	110 Å²	110	80.8 Å²	80.8	59%	0.588	45%	0.452	S	S	*	.			trans	-66.6	86	170	-77.5	-56	0	0	0	108.5	K709 T800	K709-D798 IonicContact NZ-OD2 2.74Å; K709-D798 PolarHBondContact NZ-OD2 2.78Å; D798-T800 PolarHBondContact O-N 3.35Å
799	T	38.6	Very low	47.1	Very low	84 Å²	84	86.7 Å²	86.7	52%	0.515	47%	0.472	S	S	.	.			trans	-66.8	129.5	-170.8	40.9	0	0	0	0	112.4	Q797 G801	Q797-T799 VanDerWaalsContact C-N 3.25Å; Q797-T799 PolarHBondContact O-N 3.14Å; T799-G801 PolarHBondContact O-N 2.77Å
800	T	37.6	Very low	47.9	Very low	154 Å²	154	87.9 Å²	87.9	95%	0.945	48%	0.484	S	S	*	.			trans	-82.6	9.6	177.4	46.3	0	0	0	0	113.6	D798	D798-T800 PolarHBondContact O-N 3.35Å
801	G	37.3	Very low	49.2	Very low	50 Å²	50	85.1 Å²	85.1	52%	0.515	47%	0.47	S	S	.	.			trans	-73.3	147.5	175.6	0	0	0	0	0	112.3	T799 D803	T799-G801 PolarHBondContact O-N 2.77Å; G801-D803 PolarHBondContact O-N 3.38Å
802	N	33.5	Very low	50.8	Low	169 Å²	169	80.3 Å²	80.3	90%	0.904	45%	0.451	S	S	*	.			trans	-83.4	10.7	-173.1	-149.6	6.9	0	0	0	113.9
803	D	42.2	Very low	52.6	Low	150 Å²	150	78.8 Å²	78.8	80%	0.802	44%	0.443	S	S	*	.			trans	-81.7	122.5	-179.5	-74.4	-47.6	0	0	0	111.2	G801 L805	G801-D803 PolarHBondContact O-N 3.38Å; D803-L805 PolarHBondContact O-N 2.8Å
804	R	41.3	Very low	54.4	Low	248 Å²	248	82.4 Å²	82.4	94%	0.936	46%	0.462	S	S	*	.			trans	-74.5	90.2	179.8	-74.6	-177.1	171.7	-178.9	-2.3	111.1
805	L	51.2	Low	56.3	Low	93 Å²	93	80.2 Å²	80.2	49%	0.487	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-47.3	141.3	165.1	-74.5	169.1	0	0	0	111.3	Y772 P774 D803 G807	Y772-L805 HydrophobicContact CE1-CD2 4.46Å; P774-L805 HydrophobicContact CB-CD2 3.89Å; P774-L805 HydrophobicContact CG-CD1 4.23Å; P774-L805 HydrophobicContact CG-CD2 3.82Å; D803-L805 PolarHBondContact O-N 2.8Å; L805-G807 PolarHBondContact O-N 2.67Å
806	P	56.6	Low	58	Low	68 Å²	68	78.9 Å²	78.9	44%	0.442	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-56.3	125.6	172.6	-23.7	34	0	0	0	110.7	A810 V811	P806-A810 HydrophobicContact CB-CB 4.25Å; P806-V811 HydrophobicContact CB-CG2 3.95Å
807	G	62.3	Low	60.1	Low	42 Å²	42	81.8 Å²	81.8	43%	0.433	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-61.3	151.1	180	0	0	0	0	0	111.7	L805 R809 A810	L805-G807 PolarHBondContact O-N 2.67Å; G807-R809 PolarHBondContact O-N 2.84Å; G807-A810 WeakPolarHBondContact O-CB 3.14Å; G807-A810 PolarHBondContact O-N 3.08Å
808	P	67.6	Low	61.9	Low	61 Å²	61	77.7 Å²	77.7	40%	0.396	43%	0.428	S	S	.	.	H	α-helix	trans	-49.8	-34	-171.6	-33.7	37.4	0	0	0	116.2	L748 A812	L748-P808 HydrophobicContact CD2-CB 3.95Å; P808-A812 WeakPolarHBondContact O-CB 3.45Å; P808-A812 PolarHBondContact O-N 3.36Å
809	R	72.6	Confident	63.9	Low	139 Å²	139	72.5 Å²	72.5	53%	0.525	40%	0.4	S	S	.	.	H	α-helix	trans	-70.4	-27.1	175.9	-74.3	-175.8	173.5	-90	8.4	114.5	I676 D678 G807 G813	I676-R809 WeakPolarHBondContact CD1-O 3.37Å; D678-R809 VanDerWaalsContact CG-NH1 3.31Å; D678-R809 IonicContact OD1-NH1 3.56Å; D678-R809 PolarHBondContact OD1-NH1 3.14Å; D678-R809 IonicContact OD2-CZ 3.64Å; D678-R809 IonicContact OD2-NH1 3.69Å; D678-R809 PolarHBondContact OD2-NH1 2.86Å; G807-R809 PolarHBondContact O-N 2.84Å; R809-G813 PolarHBondContact O-N 3.31Å; R809-G813 VanDerWaalsContact O-N 3.09Å
810	A	72.4	Confident	66.2	Low	39 Å²	39	70.9 Å²	70.9	32%	0.322	39%	0.39	S	S	.	.	H	α-helix	trans	-70.2	-53.4	175	0	0	0	0	0	109.9	P806 G807 A812 G813 D814	P806-A810 HydrophobicContact CB-CB 4.25Å; G807-A810 WeakPolarHBondContact O-CB 3.14Å; G807-A810 PolarHBondContact O-N 3.08Å; A810-A812 PolarHBondContact O-N 2.87Å; A810-G813 WeakPolarHBondContact O-CA 3.27Å; A810-G813 PolarHBondContact O-N 3Å; A810-D814 PolarHBondContact O-N 3.3Å
811	V	73.3	Confident	68.5	Low	11 Å²	11	68.9 Å²	68.9	7%	0.067	37%	0.37	C	S	.	.	H	α-helix	trans	-54.9	-39.5	174.7	-174.5	0	0	0	0	111.3	L748 P806 D814 I815	L748-V811 HydrophobicContact CD1-CG1 4.32Å; L748-V811 HydrophobicContact CD2-CB 4.18Å; L748-V811 HydrophobicContact CD2-CG1 4.29Å; P806-V811 HydrophobicContact CB-CG2 3.95Å; V811-D814 PolarHBondContact O-N 3.49Å; V811-I815 HydrophobicContact CG1-CD1 3.98Å; V811-I815 WeakPolarHBondContact O-CG1 3.44Å; V811-I815 PolarHBondContact O-N 3.08Å
812	A	78.3	Confident	70.8	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-64.7	-38.8	174.4	0	0	0	0	0	113.6	Y561 F751 P808 A810 I816	Y561-A812 HydrophobicContact CD1-CB 3.73Å; Y561-A812 HydrophobicContact CD2-CB 3.74Å; Y561-A812 HydrophobicContact CE1-CB 3.89Å; Y561-A812 HydrophobicContact CE2-CB 3.9Å; Y561-A812 HydrophobicContact CG-CB 3.66Å; F751-A812 HydrophobicContact CE1-CB 4.12Å; F751-A812 HydrophobicContact CZ-CB 4.07Å; P808-A812 WeakPolarHBondContact O-CB 3.45Å; P808-A812 PolarHBondContact O-N 3.36Å; A810-A812 PolarHBondContact O-N 2.87Å; A812-I816 WeakPolarHBondContact O-CB 3.44Å; A812-I816 WeakPolarHBondContact O-CD1 3.3Å; A812-I816 VanDerWaalsContact O-CG1 3.27Å; A812-I816 WeakPolarHBondContact O-CG1 3.42Å; A812-I816 PolarHBondContact O-N 3.31Å
813	G	80.9	Confident	73.3	Confident	14 Å²	14	61.4 Å²	61.4	14%	0.144	32%	0.318	C	S	.	.	H	α-helix	trans	-64	-38.7	172.9	0	0	0	0	0	113.2	R809 A810 I816 K817	R809-G813 PolarHBondContact O-N 3.31Å; R809-G813 VanDerWaalsContact O-N 3.09Å; A810-G813 WeakPolarHBondContact O-CA 3.27Å; A810-G813 PolarHBondContact O-N 3Å; G813-I816 PolarHBondContact O-N 3.3Å; G813-K817 WeakPolarHBondContact O-CB 3.19Å; G813-K817 PolarHBondContact O-N 3.5Å
814	D	80.1	Confident	75.5	Confident	77 Å²	77	61.6 Å²	61.6	41%	0.412	31%	0.308	S	S	.	.	H	α-helix	trans	-68.8	-41.8	177.9	-61.1	-40.1	0	0	0	111.7	T784 A810 V811 K817 A818	T784-D814 HydrophobicContact CG2-CB 4.08Å; A810-D814 PolarHBondContact O-N 3.3Å; V811-D814 PolarHBondContact O-N 3.49Å; D814-K817 PolarHBondContact O-N 3.22Å; D814-A818 WeakPolarHBondContact O-CB 3.44Å; D814-A818 PolarHBondContact O-N 3Å
815	I	80.8	Confident	77.9	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-64.6	-40.5	173.9	-67.9	169.7	0	0	0	111.3	I559 F751 F768 P770 T784 L785 V811 A818 A819	I559-I815 HydrophobicContact CD1-CG2 4.25Å; F751-I815 HydrophobicContact CD1-CG2 4.41Å; F751-I815 HydrophobicContact CD2-CG2 4.29Å; F751-I815 HydrophobicContact CE1-CB 4.21Å; F751-I815 HydrophobicContact CE1-CG2 3.91Å; F751-I815 HydrophobicContact CE2-CB 4.31Å; F751-I815 HydrophobicContact CE2-CD1 3.76Å; F751-I815 HydrophobicContact CE2-CG2 3.77Å; F751-I815 HydrophobicContact CZ-CB 3.75Å; F751-I815 HydrophobicContact CZ-CD1 3.76Å; F751-I815 HydrophobicContact CZ-CG1 4.35Å; F751-I815 HydrophobicContact CZ-CG2 3.58Å; F768-I815 HydrophobicContact CE1-CG2 4.28Å; P770-I815 HydrophobicContact CB-CD1 4.09Å; T784-I815 HydrophobicContact CG2-CG1 4.06Å; L785-I815 HydrophobicContact CB-CG2 4.33Å; L785-I815 HydrophobicContact CD1-CG2 3.97Å; L785-I815 HydrophobicContact CG-CG2 4.43Å; V811-I815 HydrophobicContact CG1-CD1 3.98Å; V811-I815 WeakPolarHBondContact O-CG1 3.44Å; V811-I815 PolarHBondContact O-N 3.08Å; I815-A818 PolarHBondContact O-N 2.89Å; I815-A819 PolarHBondContact O-N 3.31Å; I815-A819 VanDerWaalsContact O-N 3.09Å
816	I	84.6	Confident	79.8	Confident	11 Å²	11	52.6 Å²	52.6	6%	0.056	28%	0.276	C	S	.	.	H	α-helix	trans	-65.4	-43.5	174.9	-72.4	162.4	0	0	0	110.9	I559 W680 F751 A812 G813 A818 A819 T820	I559-I816 HydrophobicContact CG1-CG1 4.5Å; I559-I816 HydrophobicContact CG2-CB 4.3Å; I559-I816 HydrophobicContact CG2-CG1 4.01Å; I559-I816 HydrophobicContact CG2-CG2 4.05Å; W680-I816 HydrophobicContact CB-CG2 4.04Å; F751-I816 HydrophobicContact CD1-CG1 4.41Å; F751-I816 HydrophobicContact CE1-CD1 4.35Å; F751-I816 HydrophobicContact CE1-CG1 4.11Å; A812-I816 WeakPolarHBondContact O-CB 3.44Å; A812-I816 WeakPolarHBondContact O-CD1 3.3Å; A812-I816 VanDerWaalsContact O-CG1 3.27Å; A812-I816 WeakPolarHBondContact O-CG1 3.42Å; A812-I816 PolarHBondContact O-N 3.31Å; G813-I816 PolarHBondContact O-N 3.3Å; I816-A818 PolarHBondContact O-N 2.92Å; I816-A819 WeakPolarHBondContact O-CB 3.26Å; I816-A819 PolarHBondContact O-N 2.84Å; I816-T820 VanDerWaalsContact O-CG2 3.24Å; I816-T820 WeakPolarHBondContact O-CG2 3.3Å; I816-T820 PolarHBondContact O-N 3.3Å; I816-T820 VanDerWaalsContact O-N 3.13Å
817	K	84.4	Confident	81.5	Confident	109 Å²	109	49.6 Å²	49.6	47%	0.474	26%	0.256	S	S	.	.	H	α-helix	trans	-57	-48.7	175.7	173.4	-177	168.1	-65.4	0	111.3	G813 D814 A819 T820 E821	G813-K817 WeakPolarHBondContact O-CB 3.19Å; G813-K817 PolarHBondContact O-N 3.5Å; D814-K817 PolarHBondContact O-N 3.22Å; K817-A819 VanDerWaalsContact C-N 3.31Å; K817-A819 PolarHBondContact O-N 3.02Å; K817-T820 WeakPolarHBondContact O-CA 3.42Å; K817-T820 WeakPolarHBondContact O-CB 3.49Å; K817-T820 PolarHBondContact O-N 3.14Å; K817-T820 PolarHBondContact O-OG1 3.3Å; K817-E821 WeakPolarHBondContact CE-OE1 3.19Å; K817-E821 WeakPolarHBondContact CG-OE1 3.24Å; K817-E821 VanDerWaalsContact NZ-CD 3.3Å; K817-E821 IonicContact NZ-OE1 3.23Å; K817-E821 PolarHBondContact NZ-OE1 2.71Å; K817-E821 IonicContact NZ-OE2 2.62Å; K817-E821 PolarHBondContact NZ-OE2 2.73Å; K817-E821 PolarHBondContact O-N 2.97Å
818	A	81.9	Confident	82.9	Confident	2 Å²	2	48 Å²	48	2%	0.017	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-39.8	176.8	0	0	0	0	0	112.9	D783 L785 D814 I815 I816 T820 E821 L822	D783-A818 WeakPolarHBondContact OD1-CB 3.33Å; L785-A818 HydrophobicContact CB-CB 3.41Å; L785-A818 VanDerWaalsContact CB-CB 3.41Å; D814-A818 WeakPolarHBondContact O-CB 3.44Å; D814-A818 PolarHBondContact O-N 3Å; I815-A818 PolarHBondContact O-N 2.89Å; I816-A818 PolarHBondContact O-N 2.92Å; A818-T820 VanDerWaalsContact C-N 3.26Å; A818-T820 PolarHBondContact O-N 2.85Å; A818-E821 PolarHBondContact O-N 3.32Å; A818-E821 VanDerWaalsContact O-N 3.12Å; A818-L822 PolarHBondContact O-N 3.09Å
819	A	84.9	Confident	84.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-33.7	171.9	0	0	0	0	0	112.9	I559 L785 I815 I816 K817 E821 L822	I559-A819 HydrophobicContact CB-CB 4.14Å; I559-A819 HydrophobicContact CD1-CB 3.95Å; I559-A819 HydrophobicContact CG2-CB 3.63Å; L785-A819 HydrophobicContact CD1-CB 3.81Å; I815-A819 PolarHBondContact O-N 3.31Å; I815-A819 VanDerWaalsContact O-N 3.09Å; I816-A819 WeakPolarHBondContact O-CB 3.26Å; I816-A819 PolarHBondContact O-N 2.84Å; K817-A819 VanDerWaalsContact C-N 3.31Å; K817-A819 PolarHBondContact O-N 3.02Å; A819-E821 VanDerWaalsContact C-N 3.3Å; A819-L822 PolarHBondContact O-N 2.87Å
820	T	85.9	Confident	85.1	Confident	51 Å²	51	38.5 Å²	38.5	31%	0.313	19%	0.194	S	C	.	.	H	α-helix	trans	-70.8	-26	175.7	77.5	0	0	0	0	113.2	W680 I816 K817 A818 L822 D823	W680-T820 HydrophobicContact CB-CG2 4.04Å; W680-T820 HydrophobicContact CD2-CG2 3.73Å; W680-T820 HydrophobicContact CG-CG2 3.47Å; W680-T820 VanDerWaalsContact CG-CG2 3.47Å; I816-T820 VanDerWaalsContact O-CG2 3.24Å; I816-T820 WeakPolarHBondContact O-CG2 3.3Å; I816-T820 PolarHBondContact O-N 3.3Å; I816-T820 VanDerWaalsContact O-N 3.13Å; K817-T820 WeakPolarHBondContact O-CA 3.42Å; K817-T820 WeakPolarHBondContact O-CB 3.49Å; K817-T820 PolarHBondContact O-N 3.14Å; K817-T820 PolarHBondContact O-OG1 3.3Å; A818-T820 VanDerWaalsContact C-N 3.26Å; A818-T820 PolarHBondContact O-N 2.85Å; T820-L822 PolarHBondContact O-N 3.35Å; T820-D823 PolarHBondContact O-N 3.26Å
821	E	85.7	Confident	86.1	Confident	112 Å²	112	36.6 Å²	36.6	52%	0.523	18%	0.179	S	C	.	.	H	α-helix	trans	-76.7	-10.5	175.5	-77.4	157.7	-150	0	0	112.2	K817 A818 A819	K817-E821 WeakPolarHBondContact CE-OE1 3.19Å; K817-E821 WeakPolarHBondContact CG-OE1 3.24Å; K817-E821 VanDerWaalsContact NZ-CD 3.3Å; K817-E821 IonicContact NZ-OE1 3.23Å; K817-E821 PolarHBondContact NZ-OE1 2.71Å; K817-E821 IonicContact NZ-OE2 2.62Å; K817-E821 PolarHBondContact NZ-OE2 2.73Å; K817-E821 PolarHBondContact O-N 2.97Å; A818-E821 PolarHBondContact O-N 3.32Å; A818-E821 VanDerWaalsContact O-N 3.12Å; A819-E821 VanDerWaalsContact C-N 3.3Å
822	L	85.6	Confident	87.1	Confident	13 Å²	13	36.4 Å²	36.4	7%	0.068	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	11.1	171.6	-62.7	175	0	0	0	113.9	I556 L785 A818 A819 T820 R824 V825	I556-L822 HydrophobicContact CD1-CB 4.09Å; I556-L822 HydrophobicContact CD1-CD1 3.67Å; L785-L822 HydrophobicContact CD2-CD1 3.83Å; A818-L822 PolarHBondContact O-N 3.09Å; A819-L822 PolarHBondContact O-N 2.87Å; T820-L822 PolarHBondContact O-N 3.35Å; L822-R824 PolarHBondContact O-N 2.97Å; L822-V825 HydrophobicContact CD2-CG1 4.5Å; L822-V825 HydrophobicContact CD2-CG2 4.44Å; L822-V825 WeakPolarHBondContact O-CB 3.4Å; L822-V825 PolarHBondContact O-N 3.25Å; L822-V825 VanDerWaalsContact O-N 3.12Å
823	D	87.8	Confident	87.9	Confident	49 Å²	49	36.4 Å²	36.4	26%	0.262	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	134.6	177.4	-169.1	18.7	0	0	0	111.3	W680 S682 T820 V825	W680-D823 HydrophobicContact CH2-CB 3.85Å; W680-D823 HydrophobicContact CZ2-CB 3.73Å; S682-D823 WeakPolarHBondContact CB-OD1 3.23Å; T820-D823 PolarHBondContact O-N 3.26Å; D823-V825 PolarHBondContact O-N 3.23Å
824	R	87.7	Confident	88.6	Confident	154 Å²	154	35.7 Å²	35.7	58%	0.581	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	4.1	-176	-49.1	179.4	178.6	-143.9	-9.2	115.5	L822	L822-R824 PolarHBondContact O-N 2.97Å
825	V	90.9	Very high	89.3	Confident	41 Å²	41	32 Å²	32	25%	0.248	15%	0.151	C	C	.	.			trans	-75.3	127.2	174.8	-179.2	0	0	0	0	109.5	L822 D823 I827 P851	L822-V825 HydrophobicContact CD2-CG1 4.5Å; L822-V825 HydrophobicContact CD2-CG2 4.44Å; L822-V825 WeakPolarHBondContact O-CB 3.4Å; L822-V825 PolarHBondContact O-N 3.25Å; L822-V825 VanDerWaalsContact O-N 3.12Å; D823-V825 PolarHBondContact O-N 3.23Å; V825-I827 HydrophobicContact CG1-CG2 4.16Å; V825-I827 PolarHBondContact O-N 3.13Å; V825-P851 HydrophobicContact CG1-CG 4.21Å
826	H	91.8	Very high	89.9	Confident	110 Å²	110	32.3 Å²	32.3	51%	0.509	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	122.8	169.2	-72	-162.6	0	0	0	109.2	P851	H826-P851 VanDerWaalsContact O-CD 3.26Å; H826-P851 WeakPolarHBondContact O-CD 3.34Å; H826-P851 VanDerWaalsContact O-CG 3.23Å; H826-P851 WeakPolarHBondContact O-CG 3.47Å
827	I	92.3	Very high	90.2	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.026	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	159.1	-178.4	60.5	152.9	0	0	0	112.6	Q553 G554 I556 V825 I848 Y849	Q553-I827 WeakPolarHBondContact CA-O 3.46Å; G554-I827 PolarHBondContact N-O 3.47Å; G554-I827 VanDerWaalsContact O-CG1 3.28Å; G554-I827 WeakPolarHBondContact O-CG1 3.42Å; G554-I827 PolarHBondContact O-N 2.94Å; I556-I827 HydrophobicContact CD1-CD1 4.2Å; I556-I827 HydrophobicContact CG1-CD1 3.68Å; I556-I827 HydrophobicContact CG1-CG1 4.42Å; V825-I827 HydrophobicContact CG1-CG2 4.16Å; V825-I827 PolarHBondContact O-N 3.13Å; I827-I848 HydrophobicContact CB-CG2 3.79Å; I827-I848 HydrophobicContact CD1-CD1 4.11Å; I827-I848 HydrophobicContact CD1-CG1 4.1Å; I827-I848 HydrophobicContact CD1-CG2 3.83Å; I827-I848 HydrophobicContact CG1-CG2 4.44Å; I827-I848 HydrophobicContact CG2-CG2 3.65Å; I827-Y849 WeakPolarHBondContact CA-O 3.44Å
828	V	92.2	Very high	90.4	Very high	9 Å²	9	30.4 Å²	30.4	6%	0.055	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.3	156.4	-172.6	0	0	0	0	108.4	F516 L529 A551 I552 Q553 I830 I848 Y849	F516-V828 HydrophobicContact CD2-CB 4.4Å; F516-V828 HydrophobicContact CD2-CG1 4.1Å; F516-V828 HydrophobicContact CD2-CG2 4.45Å; F516-V828 HydrophobicContact CE2-CB 4.45Å; F516-V828 HydrophobicContact CE2-CG1 3.76Å; F516-V828 HydrophobicContact CE2-CG2 4.42Å; F516-V828 HydrophobicContact CZ-CG1 4.33Å; F516-V828 HydrophobicContact CZ-CG2 4.47Å; L529-V828 HydrophobicContact CD2-CG1 3.95Å; A551-V828 HydrophobicContact CB-CG1 4.01Å; I552-V828 CarbonylContact O-C 3.47Å; I552-V828 WeakPolarHBondContact O-CA 3.38Å; Q553-V828 HydrophobicContact CG-CG2 4.33Å; V828-I830 HydrophobicContact CG1-CD1 4.26Å; V828-I848 WeakPolarHBondContact O-CA 3.35Å; V828-Y849 HydrophobicContact CB-CD2 4.41Å; V828-Y849 PolarHBondContact N-O 2.78Å; V828-Y849 PolarHBondContact O-N 3.14Å
829	G	92.2	Very high	90.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.3	174.6	0	0	0	0	0	111	A551 I552	A551-G829 WeakPolarHBondContact CA-O 3.47Å; I552-G829 PolarHBondContact N-O 2.78Å; I552-G829 PolarHBondContact O-N 3.16Å
830	I	92.6	Very high	91.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120.8	172.3	-52.3	-52.3	0	0	0	108.8	V512 Y519 R549 I550 A551 V828 H846 K847 Y849	V512-I830 HydrophobicContact CG1-CG2 4.35Å; Y519-I830 HydrophobicContact CD1-CD1 4.24Å; Y519-I830 HydrophobicContact CE1-CD1 3.7Å; Y519-I830 HydrophobicContact CE2-CD1 4.13Å; Y519-I830 HydrophobicContact CE2-CG1 4.5Å; Y519-I830 HydrophobicContact CE2-CG2 4.45Å; R549-I830 HydrophobicContact CG-CG2 3.62Å; I550-I830 WeakPolarHBondContact O-CA 3.39Å; A551-I830 HydrophobicContact CB-CD1 3.48Å; A551-I830 VanDerWaalsContact CB-CD1 3.48Å; V828-I830 HydrophobicContact CG1-CD1 4.26Å; I830-H846 HydrophobicContact CB-CB 4.5Å; I830-H846 HydrophobicContact CG2-CB 4.29Å; I830-H846 PolarHBondContact O-N 2.97Å; I830-K847 HydrophobicContact CB-CB 4.44Å; I830-K847 HydrophobicContact CG1-CB 4.41Å; I830-K847 PolarHBondContact N-O 3.02Å; I830-K847 PolarHBondContact O-N 3.24Å; I830-Y849 HydrophobicContact CD1-CD2 4.26Å; I830-Y849 HydrophobicContact CD1-CE2 3.86Å; I830-Y849 HydrophobicContact CG1-CD2 4.12Å; I830-Y849 HydrophobicContact CG1-CE2 3.6Å
831	L	94.6	Very high	91.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127	179.8	-54.4	-179.2	0	0	0	110.6	R549 I550 I552 I764 V766 I833 V843 Y844 L845	R549-L831 WeakPolarHBondContact CA-O 3.3Å; I550-L831 HydrophobicContact CD1-CD1 4.47Å; I550-L831 HydrophobicContact CG1-CB 3.9Å; I550-L831 PolarHBondContact N-O 3.04Å; I550-L831 PolarHBondContact O-N 3.12Å; I552-L831 HydrophobicContact CD1-CD1 3.76Å; I552-L831 HydrophobicContact CD1-CG 4.41Å; I552-L831 HydrophobicContact CG1-CD1 3.97Å; I552-L831 HydrophobicContact CG1-CG 4.24Å; I552-L831 HydrophobicContact CG2-CD1 4.19Å; I764-L831 HydrophobicContact CD1-CD1 4.42Å; V766-L831 HydrophobicContact CB-CD2 4.36Å; V766-L831 HydrophobicContact CG1-CD1 4.2Å; V766-L831 HydrophobicContact CG1-CD2 3.99Å; V766-L831 HydrophobicContact CG2-CD2 4.29Å; L831-I833 HydrophobicContact CB-CG2 4.4Å; L831-V843 HydrophobicContact CB-CG1 4.25Å; L831-V843 HydrophobicContact CD1-CG1 3.86Å; L831-V843 HydrophobicContact CD2-CG1 4.4Å; L831-V843 HydrophobicContact CG-CG1 4.41Å; L831-Y844 CarbonylContact C-O 3.52Å; L831-Y844 VanDerWaalsContact CA-O 3.3Å; L831-Y844 WeakPolarHBondContact CA-O 3.43Å; L831-L845 HydrophobicContact CD2-CB 4.32Å; L831-L845 HydrophobicContact CD2-CD1 3.75Å
832	D	93.8	Very high	91.8	Very high	6 Å²	6	32.9 Å²	32.9	3%	0.032	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.4	165.5	-84.3	-23.6	0	0	0	108.5	Y506 R549 Y844 H846	Y506-D832 HydrophobicContact CE2-CB 3.82Å; Y506-D832 WeakPolarHBondContact OH-CB 3.39Å; Y506-D832 PolarHBondContact OH-OD2 2.67Å; Y506-D832 VanDerWaalsContact OH-OD2 3.04Å; R549-D832 WeakPolarHBondContact CB-OD1 3.24Å; R549-D832 WeakPolarHBondContact CG-OD1 3.48Å; R549-D832 IonicContact CZ-OD1 3.58Å; R549-D832 IonicContact CZ-OD2 3.5Å; R549-D832 IonicContact NE-OD1 3.38Å; R549-D832 PolarHBondContact NE-OD1 2.81Å; R549-D832 IonicContact NE-OD2 3.67Å; R549-D832 IonicContact NH2-OD1 2.76Å; R549-D832 PolarHBondContact NH2-OD1 3.41Å; R549-D832 VanDerWaalsContact NH2-OD1 3.15Å; R549-D832 IonicContact NH2-OD2 3.84Å; R549-D832 PolarHBondContact NH2-OD2 2.77Å; D832-Y844 PolarHBondContact N-O 3.49Å; D832-Y844 PolarHBondContact O-N 3.41Å; D832-H846 IonicContact OD1-CE1 3.06Å; D832-H846 IonicContact OD2-CE1 2.68Å; D832-H846 PolarHBondContact OD2-CE1 3.28Å; D832-H846 IonicContact OD2-CG 3.93Å; D832-H846 IonicContact OD2-ND1 2.69Å; D832-H846 PolarHBondContact OD2-ND1 2.96Å; D832-H846 IonicContact OD2-NE2 3.76Å
833	I	95.4	Very high	92.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.5	-178.7	59.7	173.1	0	0	0	110.9	I539 L542 Q547 K548 I550 L831 E842 V843	I539-I833 HydrophobicContact CG1-CD1 4.39Å; L542-I833 HydrophobicContact CD1-CB 4.25Å; L542-I833 HydrophobicContact CD1-CD1 4.07Å; L542-I833 HydrophobicContact CD1-CG1 4.07Å; L542-I833 HydrophobicContact CD2-CD1 4.38Å; L542-I833 HydrophobicContact CG-CD1 4.49Å; Q547-I833 PolarHBondContact NE2-O 3.19Å; Q547-I833 VanDerWaalsContact NE2-O 3.08Å; K548-I833 HydrophobicContact CB-CD1 4.16Å; K548-I833 HydrophobicContact CB-CG1 3.85Å; K548-I833 HydrophobicContact CG-CD1 4.46Å; K548-I833 PolarHBondContact N-O 3.21Å; K548-I833 WeakPolarHBondContact O-CG1 3.27Å; K548-I833 PolarHBondContact O-N 3.11Å; I550-I833 HydrophobicContact CD1-CD1 4.26Å; I550-I833 HydrophobicContact CD1-CG2 4.39Å; I550-I833 HydrophobicContact CG2-CD1 4.23Å; L831-I833 HydrophobicContact CB-CG2 4.4Å; I833-E842 WeakPolarHBondContact CA-O 3.12Å; I833-V843 HydrophobicContact CG2-CB 4.31Å; I833-V843 HydrophobicContact CG2-CG1 3.97Å; I833-V843 HydrophobicContact CG2-CG2 3.97Å
834	C	95.1	Very high	92.6	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	133.4	-179.4	-165.7	0	0	0	0	112.8	E546 E842	E546-C834 WeakPolarHBondContact O-CA 3.32Å; E546-C834 PolarHBondContact O-SG 2.98Å; C834-E842 HydrophobicContact CB-CB 4.43Å; C834-E842 PolarHBondContact N-O 3.35Å; C834-E842 PolarHBondContact O-N 3.26Å
835	N	94.6	Very high	92.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	111.7	175.8	-178.8	-3.4	0	0	0	110.5	Q120 L542 Q543 R545 E546 G837	Q120-N835 PolarHBondContact OE1-ND2 3.08Å; L542-N835 HydrophobicContact CB-CB 3.86Å; L542-N835 HydrophobicContact CD1-CB 4.27Å; L542-N835 PolarHBondContact O-ND2 3.31Å; Q543-N835 WeakPolarHBondContact O-CB 3.5Å; R545-N835 WeakPolarHBondContact CA-O 3.17Å; R545-N835 PolarHBondContact N-O 2.9Å; E546-N835 PolarHBondContact O-N 2.71Å; N835-G837 VanDerWaalsContact C-N 3.28Å; N835-G837 VanDerWaalsContact OD1-CA 3.31Å; N835-G837 WeakPolarHBondContact OD1-CA 3.21Å; N835-G837 PolarHBondContact OD1-N 3.01Å
836	L	93.3	Very high	92.6	Very high	6 Å²	6	21.7 Å²	21.7	3%	0.031	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-4.9	176.1	-56.7	177.1	0	0	0	112.9	Y544 Y702 E704 K840 E842	Y544-L836 WeakPolarHBondContact CD2-O 3.49Å; Y544-L836 WeakPolarHBondContact CE2-O 3.48Å; Y702-L836 HydrophobicContact CD2-CD1 3.42Å; Y702-L836 VanDerWaalsContact CD2-CD1 3.42Å; Y702-L836 HydrophobicContact CE2-CD1 4.14Å; Y702-L836 HydrophobicContact CG-CD1 3.72Å; E704-L836 HydrophobicContact CG-CD1 3.85Å; E704-L836 HydrophobicContact CG-CD2 4.24Å; L836-K840 HydrophobicContact CB-CB 3.89Å; L836-K840 HydrophobicContact CD1-CB 4.4Å; L836-K840 PolarHBondContact N-O 3.18Å; L836-E842 HydrophobicContact CD1-CG 3.7Å; L836-E842 HydrophobicContact CD2-CG 4.31Å; L836-E842 HydrophobicContact CG-CG 3.92Å
837	G	91.9	Very high	92.4	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.01	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.1	169.2	-179.2	0	0	0	0	0	113.3	Q120 N835 N839 K840	Q120-G837 CarbonylContact O-C 3.55Å; Q120-G837 WeakPolarHBondContact O-CA 3.44Å; N835-G837 VanDerWaalsContact C-N 3.28Å; N835-G837 VanDerWaalsContact OD1-CA 3.31Å; N835-G837 WeakPolarHBondContact OD1-CA 3.21Å; N835-G837 PolarHBondContact OD1-N 3.01Å; G837-N839 VanDerWaalsContact C-N 3.28Å; G837-N839 PolarHBondContact O-N 2.83Å; G837-K840 WeakPolarHBondContact O-CB 3.3Å; G837-K840 PolarHBondContact O-N 3.46Å; G837-K840 VanDerWaalsContact O-N 3.11Å
838	N	89.4	Confident	92.2	Very high	79 Å²	79	16.7 Å²	16.7	42%	0.422	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	47.2	-174.1	-165.5	88.1	0	0	0	111.9	Q120 K840	Q120-N838 PolarHBondContact O-N 3.3Å; N838-K840 PolarHBondContact O-N 3.33Å; N838-K840 VanDerWaalsContact O-N 3.16Å
839	N	86.6	Confident	91.9	Very high	124 Å²	124	16.4 Å²	16.4	66%	0.663	8%	0.084	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	16.6	-177.3	-54.8	-15.8	0	0	0	115.6	I122 G837	I122-N839 WeakPolarHBondContact CD1-OD1 3.34Å; G837-N839 VanDerWaalsContact C-N 3.28Å; G837-N839 PolarHBondContact O-N 2.83Å
840	K	93.1	Very high	91.3	Very high	76 Å²	76	16.9 Å²	16.9	33%	0.33	9%	0.087	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.7	174.3	-62.6	178.8	178.3	179.6	0	110.7	Y702 L836 G837 N838	Y702-K840 HydrophobicContact CD1-CB 4.31Å; Y702-K840 HydrophobicContact CD1-CD 3.76Å; Y702-K840 HydrophobicContact CD1-CG 4.06Å; Y702-K840 HydrophobicContact CE1-CB 3.77Å; Y702-K840 HydrophobicContact CE1-CD 3.8Å; Y702-K840 HydrophobicContact CE1-CG 3.54Å; Y702-K840 HydrophobicContact CE2-CB 4.19Å; Y702-K840 HydrophobicContact CG-CD 4.46Å; L836-K840 HydrophobicContact CB-CB 3.89Å; L836-K840 HydrophobicContact CD1-CB 4.4Å; L836-K840 PolarHBondContact N-O 3.18Å; G837-K840 WeakPolarHBondContact O-CB 3.3Å; G837-K840 PolarHBondContact O-N 3.46Å; G837-K840 VanDerWaalsContact O-N 3.11Å; N838-K840 PolarHBondContact O-N 3.33Å; N838-K840 VanDerWaalsContact O-N 3.16Å
841	V	93.9	Very high	89.9	Confident	17 Å²	17	20.3 Å²	20.3	10%	0.103	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.2	176.3	-179.4	0	0	0	0	110	I539 Y702 V843	I539-V841 HydrophobicContact CD1-CG1 4.32Å; I539-V841 HydrophobicContact CG1-CG1 4.17Å; I539-V841 HydrophobicContact CG2-CB 4.19Å; I539-V841 HydrophobicContact CG2-CG1 3.72Å; I539-V841 HydrophobicContact CG2-CG2 3.82Å; Y702-V841 WeakPolarHBondContact CE2-O 3.33Å; V841-V843 HydrophobicContact CG1-CG2 4.32Å
842	E	93.9	Very high	88.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	137.7	169.3	-62.6	175.2	156.4	0	0	110.4	R386 Y702 S705 I833 C834 L836 Y844	R386-E842 IonicContact CZ-OE1 2.66Å; R386-E842 IonicContact CZ-OE2 3.34Å; R386-E842 VanDerWaalsContact NH1-CD 3.25Å; R386-E842 IonicContact NH1-OE1 2.71Å; R386-E842 PolarHBondContact NH1-OE1 2.96Å; R386-E842 IonicContact NH1-OE2 3.71Å; R386-E842 PolarHBondContact NH1-OE2 2.73Å; R386-E842 IonicContact NH2-OE1 3.36Å; R386-E842 IonicContact NH2-OE2 2.68Å; R386-E842 PolarHBondContact NH2-OE2 3.39Å; Y702-E842 HydrophobicContact CD2-CG 4.07Å; Y702-E842 HydrophobicContact CE2-CG 4.41Å; S705-E842 WeakPolarHBondContact CB-OE1 3.41Å; S705-E842 PolarHBondContact OG-OE1 3.1Å; I833-E842 WeakPolarHBondContact CA-O 3.12Å; C834-E842 HydrophobicContact CB-CB 4.43Å; C834-E842 PolarHBondContact N-O 3.35Å; C834-E842 PolarHBondContact O-N 3.26Å; L836-E842 HydrophobicContact CD1-CG 3.7Å; L836-E842 HydrophobicContact CD2-CG 4.31Å; L836-E842 HydrophobicContact CG-CG 3.92Å; E842-Y844 HydrophobicContact CB-CD2 4.18Å; E842-Y844 HydrophobicContact CB-CE2 3.62Å; E842-Y844 VanDerWaalsContact CD-CE2 3.46Å; E842-Y844 HydrophobicContact CG-CE2 3.82Å; E842-Y844 WeakPolarHBondContact OE2-CE2 3.48Å
843	V	96.1	Very high	86.3	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	103.6	167.7	-177.7	0	0	0	0	108.2	I539 Y698 I764 V766 A767 L831 I833 V841	I539-V843 HydrophobicContact CD1-CG2 3.61Å; Y698-V843 VanDerWaalsContact CB-CG2 3.48Å; Y698-V843 HydrophobicContact CD1-CG2 4.07Å; Y698-V843 HydrophobicContact CD2-CG2 4.05Å; Y698-V843 HydrophobicContact CG-CB 4.37Å; Y698-V843 HydrophobicContact CG-CG2 3.63Å; I764-V843 HydrophobicContact CD1-CG1 4.4Å; V766-V843 HydrophobicContact CB-CG1 4.22Å; V766-V843 HydrophobicContact CG1-CB 4.43Å; V766-V843 HydrophobicContact CG1-CG1 3.56Å; A767-V843 PolarHBondContact N-O 3.27Å; A767-V843 VanDerWaalsContact N-O 3.12Å; L831-V843 HydrophobicContact CB-CG1 4.25Å; L831-V843 HydrophobicContact CD1-CG1 3.86Å; L831-V843 HydrophobicContact CD2-CG1 4.4Å; L831-V843 HydrophobicContact CG-CG1 4.41Å; I833-V843 HydrophobicContact CG2-CB 4.31Å; I833-V843 HydrophobicContact CG2-CG1 3.97Å; I833-V843 HydrophobicContact CG2-CG2 3.97Å; V841-V843 HydrophobicContact CG1-CG2 4.32Å
844	Y	93.6	Very high	84.1	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.1	-179	-67.6	-51.5	0	0	0	112.5	Y506 V701 S705 A767 L769 L831 D832 E842 H846	Y506-Y844 AromaticContact CD1-CD2 3.54Å; Y506-Y844 HydrophobicContact CD1-CD2 3.54Å; Y506-Y844 HydrophobicContact CD1-CE2 4.01Å; Y506-Y844 AromaticContact CD1-CG 3.9Å; Y506-Y844 HydrophobicContact CD1-CG 3.9Å; Y506-Y844 AromaticContact CD2-CD2 3.54Å; Y506-Y844 HydrophobicContact CD2-CD2 3.54Å; Y506-Y844 HydrophobicContact CD2-CE2 4.09Å; Y506-Y844 HydrophobicContact CD2-CG 4.48Å; Y506-Y844 AromaticContact CE1-CD2 3.7Å; Y506-Y844 HydrophobicContact CE1-CD2 3.7Å; Y506-Y844 AromaticContact CE1-CG 3.71Å; Y506-Y844 HydrophobicContact CE1-CG 3.71Å; Y506-Y844 AromaticContact CE2-CD2 3.72Å; Y506-Y844 HydrophobicContact CE2-CD2 3.72Å; Y506-Y844 HydrophobicContact CE2-CG 4.33Å; Y506-Y844 AromaticContact CG-CD2 3.43Å; Y506-Y844 HydrophobicContact CG-CD2 3.43Å; Y506-Y844 VanDerWaalsContact CG-CD2 3.43Å; Y506-Y844 AromaticContact CG-CE2 3.7Å; Y506-Y844 HydrophobicContact CG-CE2 3.7Å; Y506-Y844 HydrophobicContact CG-CG 4.26Å; Y506-Y844 AromaticContact CZ-CD2 3.77Å; Y506-Y844 AromaticContact CZ-CG 3.92Å; V701-Y844 HydrophobicContact CG2-CE1 4.21Å; S705-Y844 WeakPolarHBondContact CB-OH 3.38Å; S705-Y844 PolarHBondContact OG-OH 3.3Å; S705-Y844 VanDerWaalsContact OG-OH 3.06Å; A767-Y844 HydrophobicContact CB-CD1 3.56Å; A767-Y844 HydrophobicContact CB-CE1 3.47Å; A767-Y844 VanDerWaalsContact CB-CE1 3.47Å; A767-Y844 WeakPolarHBondContact O-CA 3.37Å; L769-Y844 HydrophobicContact CD1-CD1 3.55Å; L769-Y844 HydrophobicContact CD1-CD2 4.35Å; L769-Y844 HydrophobicContact CD1-CE1 3.35Å; L769-Y844 HydrophobicContact CD1-CE2 4.11Å; L769-Y844 HydrophobicContact CD1-CG 4.12Å; L769-Y844 HydrophobicContact CG-CD1 4.05Å; L769-Y844 HydrophobicContact CG-CE1 4.02Å; L831-Y844 CarbonylContact C-O 3.52Å; L831-Y844 VanDerWaalsContact CA-O 3.3Å; L831-Y844 WeakPolarHBondContact CA-O 3.43Å; D832-Y844 PolarHBondContact N-O 3.49Å; D832-Y844 PolarHBondContact O-N 3.41Å; E842-Y844 HydrophobicContact CB-CD2 4.18Å; E842-Y844 HydrophobicContact CB-CE2 3.62Å; E842-Y844 VanDerWaalsContact CD-CE2 3.46Å; E842-Y844 HydrophobicContact CG-CE2 3.82Å; E842-Y844 WeakPolarHBondContact OE2-CE2 3.48Å; Y844-H846 PolarHBondContact O-N 3.36Å; Y844-H846 VanDerWaalsContact O-N 3.14Å
845	L	92.4	Very high	81.4	Confident	6 Å²	6	40.3 Å²	40.3	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	108.4	166.6	-171.1	56	0	0	0	108.5	V753 I755 V766 A767 F768 M789 L831 I848	V753-L845 HydrophobicContact CB-CD2 4.27Å; V753-L845 HydrophobicContact CG1-CD2 4.05Å; V753-L845 HydrophobicContact CG2-CD2 4.29Å; I755-L845 HydrophobicContact CD1-CD1 4.27Å; V766-L845 HydrophobicContact CG2-CB 3.86Å; V766-L845 HydrophobicContact CG2-CD2 4.22Å; V766-L845 HydrophobicContact CG2-CG 4.49Å; A767-L845 PolarHBondContact O-N 3.34Å; F768-L845 HydrophobicContact CB-CB 4.32Å; F768-L845 WeakPolarHBondContact CD2-O 3.43Å; M789-L845 HydrophobicContact SD-CG 4.26Å; L831-L845 HydrophobicContact CD2-CB 4.32Å; L831-L845 HydrophobicContact CD2-CD1 3.75Å; L845-I848 HydrophobicContact CD1-CG1 4.01Å; L845-I848 HydrophobicContact CD2-CD1 3.83Å; L845-I848 HydrophobicContact CD2-CG1 4.09Å; L845-I848 HydrophobicContact CG-CG1 4.28Å
846	H	86	Confident	80.8	Confident	15 Å²	15	42.3 Å²	42.3	7%	0.069	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-48.3	-179.4	-175	111.3	0	0	0	110.7	Y506 P508 P510 R549 M789 I830 D832 Y844	Y506-H846 PolarHBondContact OH-CE1 2.6Å; P508-H846 VanDerWaalsContact CA-NE2 3.33Å; P508-H846 WeakPolarHBondContact CA-NE2 3.42Å; P508-H846 WeakPolarHBondContact CB-CE1 3.07Å; P508-H846 WeakPolarHBondContact CB-ND1 3.32Å; P508-H846 WeakPolarHBondContact CB-NE2 3.42Å; P508-H846 PolarHBondContact O-NE2 3.43Å; P510-H846 PolarHBondContact O-NE2 3.23Å; R549-H846 PolarHBondContact NH2-CE1 3.21Å; R549-H846 PolarHBondContact NH2-ND1 3.07Å; R549-H846 VanDerWaalsContact NH2-ND1 3.19Å; R549-H846 PolarHBondContact NH2-NE2 3.16Å; M789-H846 WeakPolarHBondContact CG-O 3.49Å; I830-H846 HydrophobicContact CB-CB 4.5Å; I830-H846 HydrophobicContact CG2-CB 4.29Å; I830-H846 PolarHBondContact O-N 2.97Å; D832-H846 IonicContact OD1-CE1 3.06Å; D832-H846 IonicContact OD2-CE1 2.68Å; D832-H846 PolarHBondContact OD2-CE1 3.28Å; D832-H846 IonicContact OD2-CG 3.93Å; D832-H846 IonicContact OD2-ND1 2.69Å; D832-H846 PolarHBondContact OD2-ND1 2.96Å; D832-H846 IonicContact OD2-NE2 3.76Å; Y844-H846 PolarHBondContact O-N 3.36Å; Y844-H846 VanDerWaalsContact O-N 3.14Å
847	K	86.6	Confident	80.1	Confident	7 Å²	7	44.2 Å²	44.2	3%	0.03	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	154.7	178.1	-178.3	165.1	-179.8	170.5	0	112.4	V512 P513 E514 M789 N790 I830 Y849	V512-K847 HydrophobicContact CG2-CB 3.6Å; V512-K847 HydrophobicContact CG2-CD 3.4Å; V512-K847 HydrophobicContact CG2-CG 4.07Å; P513-K847 PolarHBondContact O-NZ 3.21Å; E514-K847 PolarHBondContact O-NZ 3.17Å; M789-K847 HydrophobicContact CB-CB 4.46Å; M789-K847 HydrophobicContact CB-CG 4.47Å; M789-K847 VanDerWaalsContact SD-CA 3.52Å; N790-K847 WeakPolarHBondContact OD1-CE 3.44Å; N790-K847 PolarHBondContact OD1-NZ 3.34Å; I830-K847 HydrophobicContact CB-CB 4.44Å; I830-K847 HydrophobicContact CG1-CB 4.41Å; I830-K847 PolarHBondContact N-O 3.02Å; I830-K847 PolarHBondContact O-N 3.24Å; K847-Y849 HydrophobicContact CD-CD1 4.46Å; K847-Y849 HydrophobicContact CD-CE1 3.84Å; K847-Y849 HydrophobicContact CD-CE2 4.4Å
848	I	88.1	Confident	79.5	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.015	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.3	166.2	-64.8	175.1	0	0	0	109.5	I556 L785 L786 M789 I827 V828 L845	I556-I848 HydrophobicContact CD1-CD1 3.5Å; I556-I848 VanDerWaalsContact CD1-CD1 3.5Å; I556-I848 HydrophobicContact CG1-CD1 4.36Å; L785-I848 HydrophobicContact CD2-CD1 4.19Å; L786-I848 HydrophobicContact CD2-CB 3.99Å; L786-I848 HydrophobicContact CD2-CG2 4.17Å; M789-I848 HydrophobicContact CE-CB 4.12Å; M789-I848 HydrophobicContact CE-CD1 3.77Å; M789-I848 HydrophobicContact CE-CG1 3.91Å; M789-I848 HydrophobicContact SD-CB 4.22Å; M789-I848 HydrophobicContact SD-CD1 4.24Å; M789-I848 HydrophobicContact SD-CG1 3.84Å; M789-I848 PolarHBondContact SD-N 3.44Å; M789-I848 VanDerWaalsContact SD-N 3.44Å; I827-I848 HydrophobicContact CB-CG2 3.79Å; I827-I848 HydrophobicContact CD1-CD1 4.11Å; I827-I848 HydrophobicContact CD1-CG1 4.1Å; I827-I848 HydrophobicContact CD1-CG2 3.83Å; I827-I848 HydrophobicContact CG1-CG2 4.44Å; I827-I848 HydrophobicContact CG2-CG2 3.65Å; V828-I848 WeakPolarHBondContact O-CA 3.35Å; L845-I848 HydrophobicContact CD1-CG1 4.01Å; L845-I848 HydrophobicContact CD2-CD1 3.83Å; L845-I848 HydrophobicContact CD2-CG1 4.09Å; L845-I848 HydrophobicContact CG-CG1 4.28Å
849	Y	86.2	Confident	78.9	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.2	164.4	-59	-79.5	0	0	0	109.6	P513 E514 F516 Y519 I827 V828 I830 K847	P513-Y849 WeakPolarHBondContact O-CE1 2.99Å; P513-Y849 PolarHBondContact O-OH 2.91Å; E514-Y849 WeakPolarHBondContact O-CE1 3.43Å; F516-Y849 HydrophobicContact CB-CD1 4.1Å; F516-Y849 HydrophobicContact CB-CD2 4.06Å; F516-Y849 HydrophobicContact CB-CE2 4.48Å; F516-Y849 HydrophobicContact CB-CG 3.85Å; F516-Y849 AromaticContact CD2-CD2 3.84Å; F516-Y849 HydrophobicContact CD2-CD2 3.84Å; F516-Y849 HydrophobicContact CD2-CE2 4.04Å; F516-Y849 HydrophobicContact CD2-CG 4.48Å; F516-Y849 HydrophobicContact CG-CD2 4.39Å; Y519-Y849 HydrophobicContact CG-CE2 4.46Å; I827-Y849 WeakPolarHBondContact CA-O 3.44Å; V828-Y849 HydrophobicContact CB-CD2 4.41Å; V828-Y849 PolarHBondContact N-O 2.78Å; V828-Y849 PolarHBondContact O-N 3.14Å; I830-Y849 HydrophobicContact CD1-CD2 4.26Å; I830-Y849 HydrophobicContact CD1-CE2 3.86Å; I830-Y849 HydrophobicContact CG1-CD2 4.12Å; I830-Y849 HydrophobicContact CG1-CE2 3.6Å; K847-Y849 HydrophobicContact CD-CD1 4.46Å; K847-Y849 HydrophobicContact CD-CE1 3.84Å; K847-Y849 HydrophobicContact CD-CE2 4.4Å
850	S	80.7	Confident	78.4	Confident	11 Å²	11	39.8 Å²	39.8	8%	0.077	22%	0.222	C	C	.	.			trans	-88.2	165	170	62.7	0	0	0	0	111.4	E852 N853	S850-E852 PolarHBondContact O-N 3.29Å; S850-E852 VanDerWaalsContact O-N 3.13Å; S850-N853 PolarHBondContact O-N 2.87Å; S850-N853 PolarHBondContact OG-ND2 3.24Å
851	P	63.2	Low	77.4	Confident	72 Å²	72	37.3 Å²	37.3	47%	0.468	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-62.8	-19.1	-177.8	-24.5	36.4	0	0	0	114.8	V825 H826 T854	V825-P851 HydrophobicContact CG1-CG 4.21Å; H826-P851 VanDerWaalsContact O-CD 3.26Å; H826-P851 WeakPolarHBondContact O-CD 3.34Å; H826-P851 VanDerWaalsContact O-CG 3.23Å; H826-P851 WeakPolarHBondContact O-CG 3.47Å; P851-T854 PolarHBondContact O-OG1 3.06Å
852	E	59.2	Low	76.2	Confident	171 Å²	171	38.8 Å²	38.8	80%	0.799	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-77.9	-25.8	174.9	-59.8	179.1	166.8	0	0	111.5	S850	S850-E852 PolarHBondContact O-N 3.29Å; S850-E852 VanDerWaalsContact O-N 3.13Å
853	N	53.3	Low	74.9	Confident	64 Å²	64	41.8 Å²	41.8	34%	0.342	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-96.8	23.2	-179.2	-69.2	-72	0	0	0	113.3	T515 F516 S850	T515-N853 WeakPolarHBondContact CA-O 3.49Å; T515-N853 VanDerWaalsContact CB-O 3.29Å; T515-N853 WeakPolarHBondContact CB-O 3.33Å; F516-N853 PolarHBondContact N-O 3.48Å; S850-N853 PolarHBondContact O-N 2.87Å; S850-N853 PolarHBondContact OG-ND2 3.24Å
854	T	49.9	Very low	73.1	Confident	70 Å²	70	45.3 Å²	45.3	43%	0.429	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-92.4	1.7	173.5	57.8	0	0	0	0	114.2	F516 S517 P851	F516-T854 HydrophobicContact CB-CG2 4.41Å; S517-T854 WeakPolarHBondContact CB-O 3.48Å; P851-T854 PolarHBondContact O-OG1 3.06Å
855	S	38.3	Very low	71.3	Confident	120 Å²	120	49.2 Å²	49.2	84%	0.839	28%	0.283	S	S	*	.			trans	-78.1	0	178.5	-54.2	0	0	0	0	112.7	T515 S517	T515-S855 WeakPolarHBondContact CB-O 3.39Å; T515-S855 WeakPolarHBondContact CG2-O 3.28Å; T515-S855 PolarHBondContact OG1-O 2.73Å; S517-S855 WeakPolarHBondContact CB-O 3.43Å; S517-S855 WeakPolarHBondContact CB-OXT 3.21Å; S517-S855 PolarHBondContact OG-OXT 2.75Å

Retrieved 855 of 855 residues in 1141.2 ms (Link to these results)

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