A0A2K5XD05_MANLE Loading...

SLIT and NTRK like family member 2

AlphaFold DB , UniProt , Accession A0A2K5XD05, Species MANLE (Mandrillus leucophaeus, Drill), Gene SLITRK2, Length 845 aa.

						>A0A2K5XD05_MANLE|A0A2K5XD05|SLITRK2
MLSGVWFLSVLTVAGILQTESRKTAKDICKIRCLCEEKENVLNINCENKGFTTVSLLQPPQYRIYQLFLNGNLLTRLYPNEFVNYSNAVTLHLGNNGLQEIRTGAFSGLKTLKRLHLNNNKLEILREDTFLGLESLEYLQADYNYISAIEAGAFSKLNKLKVLILNDNLLLSLPSNVFRFVLLTHLDLRGNRLKVMPFAGVLEHIGGIMEIQLEENPWNCTCDLLPLKAWLDTITVFVGEIVCETPFRLHGKDVTQLTRQDLCPRKSASDSSQRGSHADTHVQRLSPTMNPALNPTRAPKASRPPKMRNRPTPRVTVSKDRQSFGPIMVYQTKSPVPLTCPSSCVCTSQSSDNGLNVNCQERKFTNISDLQPKPTSPKKLYLTGNYLQTVYKNDLLEYSSLDLLHLGNNRIAVIQEGAFTNLTSLRRLYLNGNYLEVLYPSMFDGLQSLQYLYLEYNVIKEIKPLTFDALINLQLLFLNNNLLRSLPDNIFGGTALTRLNLRNNHFSHLPVKGVLDQLPAFIQIDLQENPWDCTCDIMGLKDWTEHANSPVIINEVTCESPAKHAGEILKFLGREAICPDSPNLSDGTILSMNHNTDTPRSLSVSPSSYPELHTEVPLSVLILGLLVVFILSVCFGAGLFVFVLKRRKGVPSVPRNTNNLDVSSFQLQYGSYNTETHDKTDGHVYNYIPPPVGQMCQNPIYMQKEGDPVAYYRNLQEFSYSNLEEKKEEPATPAYTISATELLEKQATPREPELLYQNIAERVKELPSTGLVHYNFCTLPKRQFAPSYESRRQNQDRINKTVLYGTPRKCFVGQSKPNHPLLQAKPQSEPDYLEVLEKQTAISQL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.9	Very low	34.2	Very low	233 Å²	233	152.8 Å²	152.8	100%	1.148	83%	0.833	S	S	*	*				0	158.4	0	-84.8	-179.3	145.5	0	0	108.8
2	L	34.5	Very low	34.3	Very low	178 Å²	178	150.1 Å²	150.1	93%	0.932	83%	0.825	S	S	*	*			trans	54.5	92.4	165.9	-69.8	161.3	0	0	0	116.8
3	S	29.2	Very low	34.5	Very low	135 Å²	135	147.2 Å²	147.2	94%	0.944	81%	0.813	S	S	*	*			trans	-136.3	142.1	133.6	-172.6	0	0	0	0	107.7
4	G	34.6	Very low	34.6	Very low	58 Å²	58	144.2 Å²	144.2	60%	0.598	82%	0.818	S	S	*	*			trans	-176.6	177.4	-175	0	0	0	0	0	111.8
5	V	41	Very low	34.6	Very low	131 Å²	131	138.7 Å²	138.7	79%	0.794	81%	0.805	S	S	*	*			trans	73.9	147.3	-163.9	-167	0	0	0	0	112.1
6	W	30.4	Very low	34.7	Very low	218 Å²	218	137.9 Å²	137.9	83%	0.826	80%	0.795	S	S	*	*			trans	67.7	110.1	-169.5	-51.2	89.7	0	0	0	113.1
7	F	30	Very low	34.6	Very low	164 Å²	164	139 Å²	139	72%	0.719	80%	0.797	S	S	*	*			cis	-138.6	132.1	23.1	-99.3	-95.3	0	0	0	112.9
8	L	35	Very low	34.6	Very low	186 Å²	186	140 Å²	140	97%	0.974	79%	0.793	S	S	*	*			trans	-122.7	76.3	175.5	-121.2	169.4	0	0	0	109
9	S	33.2	Very low	34.5	Very low	80 Å²	80	137.6 Å²	137.6	56%	0.559	78%	0.782	S	S	*	*			trans	-155.4	19.7	-170.5	72.6	0	0	0	0	117.2
10	V	35.6	Very low	34.3	Very low	126 Å²	126	139 Å²	139	76%	0.764	78%	0.781	S	S	*	*	S	Bend	trans	-118.2	-12.1	-169.7	-175.6	0	0	0	0	114.4
11	L	34.8	Very low	34.2	Very low	172 Å²	172	136.4 Å²	136.4	90%	0.901	77%	0.773	S	S	*	*	S	Bend	trans	-100.4	14.3	-166.7	-88.9	165.3	0	0	0	116.8
12	T	35.8	Very low	34.1	Very low	120 Å²	120	136 Å²	136	74%	0.736	76%	0.758	S	S	*	*	S	Bend	trans	-122.8	11.4	-172.1	48.8	0	0	0	0	116.3
13	V	36.9	Very low	34	Very low	112 Å²	112	135.6 Å²	135.6	68%	0.679	75%	0.749	S	S	*	*	S	Bend	trans	-107.9	-19.9	178.8	-176.1	0	0	0	0	113.5	G15	V13-G15 PolarHBondContact O-N 3.01Å
14	A	36.1	Very low	34.3	Very low	106 Å²	106	135.1 Å²	135.1	88%	0.876	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-4.7	-177.2	0	0	0	0	0	115.5
15	G	34.6	Very low	34.5	Very low	61 Å²	61	135.2 Å²	135.2	63%	0.629	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	-3.2	-173.4	0	0	0	0	0	116.9	V13	V13-G15 PolarHBondContact O-N 3.01Å
16	I	35.6	Very low	34.5	Very low	126 Å²	126	138.2 Å²	138.2	65%	0.646	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.9	-21.7	-167.8	-61.7	-178.5	0	0	0	114	Q18 T19	I16-Q18 PolarHBondContact O-N 3.13Å; I16-Q18 VanDerWaalsContact O-N 3.13Å; I16-T19 PolarHBondContact O-OG1 3.23Å
17	L	32.5	Very low	35.7	Very low	157 Å²	157	130.1 Å²	130.1	82%	0.822	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	2.9	177.2	-106.2	77.7	0	0	0	115.2
18	Q	34.9	Very low	37.2	Very low	157 Å²	157	123.3 Å²	123.3	73%	0.734	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	4.8	-171.7	-136	173.8	21.4	0	0	114.7	I16	I16-Q18 PolarHBondContact O-N 3.13Å; I16-Q18 VanDerWaalsContact O-N 3.13Å
19	T	33.7	Very low	38.5	Very low	95 Å²	95	116.8 Å²	116.8	58%	0.583	65%	0.651	S	S	*	*	S	Bend	trans	-115.4	-16.9	-173	50.3	0	0	0	0	115.4	I16	I16-T19 PolarHBondContact O-OG1 3.23Å
20	E	29	Very low	39.5	Very low	164 Å²	164	120.9 Å²	120.9	77%	0.766	66%	0.659	S	S	*	*	S	Bend	trans	-91.9	-32.8	178	-65.7	-158.4	118.8	0	0	114.1	R22 K23	E20-R22 PolarHBondContact O-N 2.59Å; E20-K23 PolarHBondContact O-N 3.06Å
21	S	32.8	Very low	40.3	Very low	86 Å²	86	121.6 Å²	121.6	60%	0.601	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-16.4	179.4	60.4	0	0	0	0	114.1	K23	S21-K23 VanDerWaalsContact C-N 3.27Å; S21-K23 PolarHBondContact O-N 3.42Å
22	R	36	Very low	41.8	Very low	223 Å²	223	120.9 Å²	120.9	84%	0.842	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	0.3	175.7	-89.3	-176.8	166.1	-178.3	-3.4	115.2	E20	E20-R22 PolarHBondContact O-N 2.59Å
23	K	32	Very low	43.7	Very low	171 Å²	171	115.7 Å²	115.7	74%	0.743	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.5	-15	-172.4	-74.1	-177.6	178.1	173.9	0	116.9	E20 S21	E20-K23 PolarHBondContact O-N 3.06Å; S21-K23 VanDerWaalsContact C-N 3.27Å; S21-K23 PolarHBondContact O-N 3.42Å
24	T	35.6	Very low	45.7	Very low	125 Å²	125	114.2 Å²	114.2	77%	0.767	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-17	-179.5	45.5	0	0	0	0	114.1	K26	T24-K26 PolarHBondContact O-N 3.28Å
25	A	38.3	Very low	47.9	Very low	60 Å²	60	110.5 Å²	110.5	50%	0.496	57%	0.566	S	S	.	*			trans	-82.4	90	162.2	0	0	0	0	0	110
26	K	41.9	Very low	50	Low	193 Å²	193	108.7 Å²	108.7	84%	0.839	54%	0.541	S	S	*	.			trans	-93	95.4	160.1	-88	-173.1	172.4	-178.5	0	107.5	T24	T24-K26 PolarHBondContact O-N 3.28Å
27	D	55.3	Low	52	Low	49 Å²	49	107.4 Å²	107.4	26%	0.262	53%	0.532	S	S	.	.			trans	-69.8	140.8	-156.2	-36.3	-87.3	0	0	0	114	C29 K30	D27-C29 HydrophobicContact CB-CB 3.9Å; D27-C29 PolarHBondContact O-N 3.34Å; D27-K30 HydrophobicContact CB-CB 4.4Å; D27-K30 HydrophobicContact CB-CG 4.23Å; D27-K30 PolarHBondContact O-N 3.37Å; D27-K30 VanDerWaalsContact O-N 3.15Å; D27-K30 WeakPolarHBondContact OD2-CD 3.39Å; D27-K30 WeakPolarHBondContact OD2-CG 3.46Å; D27-K30 IonicContact OD2-NZ 3.99Å; D27-K30 PolarHBondContact OD2-NZ 3.19Å
28	I	61.4	Low	53.3	Low	21 Å²	21	101.4 Å²	101.4	11%	0.108	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-44.7	-46.9	156.7	-62.5	169.5	0	0	0	109.4	K30 I31 R32 C33 I44 L57 Q58	I28-K30 PolarHBondContact O-N 3.13Å; I28-K30 VanDerWaalsContact O-N 3.09Å; I28-I31 PolarHBondContact O-N 3.21Å; I28-I31 VanDerWaalsContact O-N 3.13Å; I28-R32 PolarHBondContact O-N 2.9Å; I28-C33 HydrophobicContact CG2-CB 3.56Å; I28-C33 WeakPolarHBondContact CG2-SG 3.43Å; I28-C33 PolarHBondContact O-N 3.1Å; I28-I44 HydrophobicContact CG2-CG2 4.49Å; I28-L57 HydrophobicContact CD1-CB 3.84Å; I28-L57 HydrophobicContact CD1-CD2 4.43Å; I28-L57 HydrophobicContact CG1-CB 4.4Å; I28-L57 HydrophobicContact CG2-CD2 4.37Å; I28-Q58 VanDerWaalsContact CD1-O 3.27Å; I28-Q58 WeakPolarHBondContact CD1-O 3.23Å; I28-Q58 WeakPolarHBondContact CG1-O 3.42Å
29	C	63.3	Low	54.5	Low	48 Å²	48	100.9 Å²	100.9	32%	0.324	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-64.2	-7.3	-174.8	-51.6	0	0	0	0	115.4	D27 C33 C35	D27-C29 HydrophobicContact CB-CB 3.9Å; D27-C29 PolarHBondContact O-N 3.34Å; C29-C33 WeakPolarHBondContact CA-O 2.99Å; C29-C35 WeakPolarHBondContact CA-SG 3.49Å; C29-C35 HydrophobicContact CB-CB 3.52Å; C29-C35 WeakPolarHBondContact CB-SG 3.25Å; C29-C35 WeakPolarHBondContact SG-CB 3.03Å; C29-C35 CovalentContact SG-SG 2.03Å; C29-C35 PolarHBondContact SG-SG 3.07Å
30	K	53.2	Low	56.3	Low	166 Å²	166	102.9 Å²	102.9	72%	0.722	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-103.7	-14.4	175.4	-78.3	-165.5	176.9	82.5	0	114	D27 I28	D27-K30 HydrophobicContact CB-CB 4.4Å; D27-K30 HydrophobicContact CB-CG 4.23Å; D27-K30 PolarHBondContact O-N 3.37Å; D27-K30 VanDerWaalsContact O-N 3.15Å; D27-K30 WeakPolarHBondContact OD2-CD 3.39Å; D27-K30 WeakPolarHBondContact OD2-CG 3.46Å; D27-K30 IonicContact OD2-NZ 3.99Å; D27-K30 PolarHBondContact OD2-NZ 3.19Å; I28-K30 PolarHBondContact O-N 3.13Å; I28-K30 VanDerWaalsContact O-N 3.09Å
31	I	53.6	Low	58.5	Low	141 Å²	141	96.6 Å²	96.6	72%	0.723	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.2	-30	-164.3	-52.4	-176.4	0	0	0	114.4	I28	I28-I31 PolarHBondContact O-N 3.21Å; I28-I31 VanDerWaalsContact O-N 3.13Å
32	R	65.1	Low	60.9	Low	158 Å²	158	93.2 Å²	93.2	60%	0.596	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.4	-26.1	-173.3	-66.9	-164.3	175.4	-134.3	-0.1	117.7	I28 F51	I28-R32 PolarHBondContact O-N 2.9Å; R32-F51 HydrophobicContact CB-CZ 4Å
33	C	75.6	Confident	63.2	Low	10 Å²	10	82.7 Å²	82.7	7%	0.068	41%	0.413	C	S	.	.	S	Bend	trans	-128.2	153.9	175.5	-52.3	0	0	0	0	110.1	I28 C29 I44 N45 C46	I28-C33 HydrophobicContact CG2-CB 3.56Å; I28-C33 WeakPolarHBondContact CG2-SG 3.43Å; I28-C33 PolarHBondContact O-N 3.1Å; C29-C33 WeakPolarHBondContact CA-O 2.99Å; C33-I44 HydrophobicContact CB-CG2 4.18Å; C33-N45 WeakPolarHBondContact CA-O 3.46Å; C33-N45 VanDerWaalsContact CB-O 3.23Å; C33-N45 WeakPolarHBondContact CB-O 3.29Å; C33-C46 HydrophobicContact CB-CB 4.02Å; C33-C46 WeakPolarHBondContact CB-SG 3.23Å; C33-C46 VanDerWaalsContact SG-CA 3.52Å; C33-C46 WeakPolarHBondContact SG-CB 3.45Å; C33-C46 CovalentContact SG-SG 2.03Å; C33-C46 PolarHBondContact SG-SG 2.93Å
34	L	79.7	Confident	65.8	Low	81 Å²	81	74.6 Å²	74.6	42%	0.424	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	143.6	167.4	-174.8	64.6	0	0	0	108.4	E36 I44 N45 A565	L34-E36 WeakPolarHBondContact CD2-OE1 3.44Å; L34-E36 HydrophobicContact CG-CG 4.48Å; L34-I44 CarbonylContact O-C 3.28Å; L34-N45 HydrophobicContact CB-CB 4.38Å; L34-N45 PolarHBondContact N-O 3.12Å; L34-N45 PolarHBondContact O-N 2.03Å; L34-A565 WeakPolarHBondContact CD2-O 3.37Å
35	C	82.6	Confident	68.1	Low	29 Å²	29	70.2 Å²	70.2	20%	0.196	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	135.8	172.7	-53.6	0	0	0	0	111.3	C29 L42 N43	C29-C35 WeakPolarHBondContact CA-SG 3.49Å; C29-C35 HydrophobicContact CB-CB 3.52Å; C29-C35 WeakPolarHBondContact CB-SG 3.25Å; C29-C35 WeakPolarHBondContact SG-CB 3.03Å; C29-C35 CovalentContact SG-SG 2.03Å; C29-C35 PolarHBondContact SG-SG 3.07Å; C35-L42 HydrophobicContact CB-CD1 4.15Å; C35-L42 HydrophobicContact CB-CD2 4.37Å; C35-L42 HydrophobicContact CB-CG 4.3Å; C35-N43 CarbonylContact C-O 3.52Å; C35-N43 WeakPolarHBondContact CA-O 3.27Å
36	E	78.7	Confident	70.4	Confident	23 Å²	23	67.4 Å²	67.4	11%	0.107	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.9	-173.1	-64.6	155.1	159.4	0	0	108.3	L34 L42 N43 G566 E567	L34-E36 WeakPolarHBondContact CD2-OE1 3.44Å; L34-E36 HydrophobicContact CG-CG 4.48Å; E36-L42 CarbonylContact O-C 3.59Å; E36-L42 WeakPolarHBondContact O-CA 3.44Å; E36-L42 WeakPolarHBondContact O-CD1 3.41Å; E36-N43 HydrophobicContact CB-CB 4.48Å; E36-N43 PolarHBondContact N-O 3.1Å; E36-N43 PolarHBondContact O-N 3.35Å; E36-G566 VanDerWaalsContact OE2-CA 3.31Å; E36-G566 WeakPolarHBondContact OE2-CA 3.18Å; E36-E567 HydrophobicContact CB-CG 4.49Å; E36-E567 HydrophobicContact CG-CG 4.17Å; E36-E567 PolarHBondContact OE2-N 3.48Å
37	E	76.3	Confident	72.4	Confident	98 Å²	98	60.7 Å²	60.7	46%	0.458	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.3	-175.9	-177.4	162.6	-150.6	0	0	111.8	L42 R63	E37-L42 HydrophobicContact CB-CD1 4.03Å; E37-R63 IonicContact OE1-CZ 3.05Å; E37-R63 IonicContact OE1-NE 3.89Å; E37-R63 PolarHBondContact OE1-NE 3.09Å; E37-R63 IonicContact OE1-NH1 2.7Å; E37-R63 PolarHBondContact OE1-NH1 3.03Å; E37-R63 IonicContact OE1-NH2 2.77Å; E37-R63 PolarHBondContact OE1-NH2 2.86Å; E37-R63 IonicContact OE2-CZ 3.41Å; E37-R63 IonicContact OE2-NH1 2.82Å; E37-R63 PolarHBondContact OE2-NH1 3.04Å; E37-R63 IonicContact OE2-NH2 2.89Å; E37-R63 PolarHBondContact OE2-NH2 3Å
38	K	61	Low	73.8	Confident	31 Å²	31	64.2 Å²	64.2	14%	0.135	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	112.1	-158.5	-176.3	-178.4	178.3	-61.2	0	110.9	N40 V41 I568 F571	K38-N40 PolarHBondContact O-N 2.83Å; K38-V41 CarbonylContact C-O 3.17Å; K38-V41 PolarHBondContact N-O 3.15Å; K38-V41 WeakPolarHBondContact O-CA 2.97Å; K38-V41 WeakPolarHBondContact O-CB 3.47Å; K38-V41 PolarHBondContact O-N 2.87Å; K38-I568 VanDerWaalsContact CE-CB 3.48Å; K38-F571 VanDerWaalsContact CE-CD2 3.4Å; K38-F571 VanDerWaalsContact CE-CG 3.41Å; K38-F571 HydrophobicContact CG-CB 4.34Å; K38-F571 HydrophobicContact CG-CD1 4.45Å; K38-F571 HydrophobicContact CG-CG 4.43Å; K38-F571 VanDerWaalsContact NZ-CE1 3.26Å
39	E	59.8	Low	74.8	Confident	147 Å²	147	69 Å²	69	69%	0.687	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	38.3	-173.2	-62.7	-167.9	155.3	0	0	114.4	V41 F571	E39-V41 PolarHBondContact O-N 3.41Å; E39-F571 VanDerWaalsContact CD-CE1 3.41Å; E39-F571 HydrophobicContact CG-CD1 3.93Å; E39-F571 HydrophobicContact CG-CE1 4.12Å; E39-F571 WeakPolarHBondContact OE1-CE1 3.41Å; E39-F571 WeakPolarHBondContact OE2-CE1 3.39Å
40	N	70.5	Confident	75.7	Confident	136 Å²	136	68.5 Å²	68.5	73%	0.727	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	11.3	-174.7	-41.7	-78.2	0	0	0	115	K38	K38-N40 PolarHBondContact O-N 2.83Å
41	V	76	Confident	77.1	Confident	33 Å²	33	60.9 Å²	60.9	20%	0.2	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.2	167.5	-176.7	0	0	0	0	108.4	K38 E39 I64 Q66	K38-V41 CarbonylContact C-O 3.17Å; K38-V41 PolarHBondContact N-O 3.15Å; K38-V41 WeakPolarHBondContact O-CA 2.97Å; K38-V41 WeakPolarHBondContact O-CB 3.47Å; K38-V41 PolarHBondContact O-N 2.87Å; E39-V41 PolarHBondContact O-N 3.41Å; V41-I64 CarbonylContact C-O 3.42Å; V41-I64 WeakPolarHBondContact CA-O 3.29Å; V41-I64 HydrophobicContact CG1-CG2 4.26Å; V41-I64 HydrophobicContact CG2-CB 4.34Å; V41-I64 HydrophobicContact CG2-CG2 4.04Å; V41-Q66 HydrophobicContact CG1-CG 3.92Å
42	L	83.9	Confident	78.5	Confident	14 Å²	14	57.9 Å²	57.9	7%	0.073	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	120.1	175.7	-173	79.5	0	0	0	109.4	C35 E36 E37 I44 P60 I64 Y65 Q66	C35-L42 HydrophobicContact CB-CD1 4.15Å; C35-L42 HydrophobicContact CB-CD2 4.37Å; C35-L42 HydrophobicContact CB-CG 4.3Å; E36-L42 CarbonylContact O-C 3.59Å; E36-L42 WeakPolarHBondContact O-CA 3.44Å; E36-L42 WeakPolarHBondContact O-CD1 3.41Å; E37-L42 HydrophobicContact CB-CD1 4.03Å; L42-I44 HydrophobicContact CD2-CD1 4.07Å; L42-I44 HydrophobicContact CD2-CG1 3.92Å; L42-I44 HydrophobicContact CG-CG1 4.17Å; L42-P60 HydrophobicContact CD2-CG 3.81Å; L42-I64 PolarHBondContact N-O 3.38Å; L42-Y65 CarbonylContact O-C 3.56Å; L42-Y65 WeakPolarHBondContact O-CA 3.27Å; L42-Y65 WeakPolarHBondContact O-CB 3.42Å; L42-Q66 PolarHBondContact O-N 3.49Å
43	N	84.1	Confident	79.3	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	137.4	165.6	-75.1	5.5	0	0	0	108.8	C35 E36 Q66 F68	C35-N43 CarbonylContact C-O 3.52Å; C35-N43 WeakPolarHBondContact CA-O 3.27Å; E36-N43 HydrophobicContact CB-CB 4.48Å; E36-N43 PolarHBondContact N-O 3.1Å; E36-N43 PolarHBondContact O-N 3.35Å; N43-Q66 PolarHBondContact OD1-OE1 3.23Å; N43-F68 HydrophobicContact CB-CE2 4.34Å
44	I	86.6	Confident	79.6	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	100.1	179.1	-54.1	179	0	0	0	107.9	I28 C33 L34 L42 P60 Y65 Q66 L67 F68	I28-I44 HydrophobicContact CG2-CG2 4.49Å; C33-I44 HydrophobicContact CB-CG2 4.18Å; L34-I44 CarbonylContact O-C 3.28Å; L42-I44 HydrophobicContact CD2-CD1 4.07Å; L42-I44 HydrophobicContact CD2-CG1 3.92Å; L42-I44 HydrophobicContact CG-CG1 4.17Å; I44-P60 HydrophobicContact CD1-CG 4.42Å; I44-Y65 HydrophobicContact CD1-CD2 3.81Å; I44-Y65 HydrophobicContact CD1-CE2 4.34Å; I44-Y65 HydrophobicContact CD1-CG 3.96Å; I44-Q66 WeakPolarHBondContact CB-O 3.48Å; I44-Q66 PolarHBondContact N-O 2.95Å; I44-L67 HydrophobicContact CB-CD1 3.99Å; I44-L67 HydrophobicContact CG2-CD1 3.8Å; I44-F68 PolarHBondContact O-N 2.03Å
45	N	83.8	Confident	79.2	Confident	33 Å²	33	52.4 Å²	52.4	18%	0.176	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	106.4	-179.8	-175.2	-19.1	0	0	0	111.3	C33 L34 E47	C33-N45 WeakPolarHBondContact CA-O 3.46Å; C33-N45 VanDerWaalsContact CB-O 3.23Å; C33-N45 WeakPolarHBondContact CB-O 3.29Å; L34-N45 HydrophobicContact CB-CB 4.38Å; L34-N45 PolarHBondContact N-O 3.12Å; L34-N45 PolarHBondContact O-N 2.03Å; N45-E47 WeakPolarHBondContact OD1-CB 3.43Å; N45-E47 VanDerWaalsContact OD1-CG 3.32Å; N45-E47 WeakPolarHBondContact OD1-CG 3.2Å; N45-E47 PolarHBondContact OD1-N 3.22Å
46	C	85.7	Confident	78.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.3	C	S	.	.			trans	-113.9	24.4	-179.5	-64.2	0	0	0	0	112.4	C33 K49 F51 L57 F68 L69 N72	C33-C46 HydrophobicContact CB-CB 4.02Å; C33-C46 WeakPolarHBondContact CB-SG 3.23Å; C33-C46 VanDerWaalsContact SG-CA 3.52Å; C33-C46 WeakPolarHBondContact SG-CB 3.45Å; C33-C46 CovalentContact SG-SG 2.03Å; C33-C46 PolarHBondContact SG-SG 2.93Å; C46-K49 WeakPolarHBondContact O-CG 3.41Å; C46-F51 HydrophobicContact CB-CD2 4.3Å; C46-F51 HydrophobicContact CB-CE2 3.82Å; C46-L57 HydrophobicContact CB-CD2 4.23Å; C46-L57 WeakPolarHBondContact SG-CD2 3.15Å; C46-F68 CarbonylContact C-O 3.37Å; C46-F68 VanDerWaalsContact CA-O 3.31Å; C46-F68 WeakPolarHBondContact CA-O 3.47Å; C46-F68 VanDerWaalsContact CB-O 3.29Å; C46-F68 WeakPolarHBondContact CB-O 3.49Å; C46-F68 PolarHBondContact N-O 2.82Å; C46-L69 HydrophobicContact CB-CD2 3.59Å; C46-L69 HydrophobicContact CB-CG 4.32Å; C46-N72 PolarHBondContact O-ND2 2.82Å
47	E	84.8	Confident	78.3	Confident	52 Å²	52	54.8 Å²	54.8	24%	0.243	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	146.2	-172.4	-62.8	-173.6	156.5	0	0	113.7	N45 K49 F68 N70	N45-E47 WeakPolarHBondContact OD1-CB 3.43Å; N45-E47 VanDerWaalsContact OD1-CG 3.32Å; N45-E47 WeakPolarHBondContact OD1-CG 3.2Å; N45-E47 PolarHBondContact OD1-N 3.22Å; E47-K49 VanDerWaalsContact O-CD 3.29Å; E47-K49 WeakPolarHBondContact O-CD 3.32Å; E47-K49 VanDerWaalsContact O-CE 3.25Å; E47-K49 WeakPolarHBondContact O-CE 2.96Å; E47-K49 WeakPolarHBondContact O-CG 3.31Å; E47-K49 PolarHBondContact O-N 3.37Å; E47-K49 VanDerWaalsContact O-N 3.1Å; E47-K49 PolarHBondContact O-NZ 2.77Å; E47-F68 HydrophobicContact CG-CB 3.9Å; E47-N70 WeakPolarHBondContact CA-O 3.3Å; E47-N70 HydrophobicContact CG-CB 3.98Å; E47-N70 WeakPolarHBondContact OE1-CB 3.32Å; E47-N70 PolarHBondContact OE1-ND2 3.37Å
48	N	83.6	Confident	78.1	Confident	123 Å²	123	56.8 Å²	56.8	66%	0.658	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	27.6	176.9	-61.5	-53.2	0	0	0	114.8	N70 G71	N48-N70 PolarHBondContact N-O 3.27Å; N48-G71 WeakPolarHBondContact OD1-CA 3.33Å; N48-G71 PolarHBondContact OD1-O 2.99Å
49	K	82.3	Confident	78.6	Confident	122 Å²	122	55.8 Å²	55.8	53%	0.53	30%	0.303	S	S	.	.	S	Bend	trans	-92.2	-0.7	-179.2	-52.4	-50.6	178.3	-143	0	114.3	C46 E47 F51 N72	C46-K49 WeakPolarHBondContact O-CG 3.41Å; E47-K49 VanDerWaalsContact O-CD 3.29Å; E47-K49 WeakPolarHBondContact O-CD 3.32Å; E47-K49 VanDerWaalsContact O-CE 3.25Å; E47-K49 WeakPolarHBondContact O-CE 2.96Å; E47-K49 WeakPolarHBondContact O-CG 3.31Å; E47-K49 PolarHBondContact O-N 3.37Å; E47-K49 VanDerWaalsContact O-N 3.1Å; E47-K49 PolarHBondContact O-NZ 2.77Å; K49-F51 HydrophobicContact CB-CD2 3.72Å; K49-F51 HydrophobicContact CB-CE2 3.55Å; K49-F51 HydrophobicContact CB-CZ 4.39Å; K49-F51 HydrophobicContact CG-CD2 4.42Å; K49-F51 HydrophobicContact CG-CE2 3.91Å; K49-N72 PolarHBondContact N-OD1 2.82Å; K49-N72 VanDerWaalsContact N-OD1 3.1Å
50	G	81.9	Confident	79.1	Confident	37 Å²	37	50.7 Å²	50.7	38%	0.381	28%	0.282	S	S	.	.			trans	71.3	25.2	-179.6	0	0	0	0	0	114.8	T52 N72	G50-T52 PolarHBondContact O-N 3.41Å; G50-N72 PolarHBondContact N-OD1 2.7Å
51	F	83.4	Confident	79	Confident	6 Å²	6	49.2 Å²	49.2	3%	0.026	27%	0.271	C	S	.	.			trans	-61	130.6	176.5	-72.8	-72.9	0	0	0	111.6	R32 C46 K49 L56 L57 L69 N72 L73 L74	R32-F51 HydrophobicContact CB-CZ 4Å; C46-F51 HydrophobicContact CB-CD2 4.3Å; C46-F51 HydrophobicContact CB-CE2 3.82Å; K49-F51 HydrophobicContact CB-CD2 3.72Å; K49-F51 HydrophobicContact CB-CE2 3.55Å; K49-F51 HydrophobicContact CB-CZ 4.39Å; K49-F51 HydrophobicContact CG-CD2 4.42Å; K49-F51 HydrophobicContact CG-CE2 3.91Å; F51-L56 HydrophobicContact CD1-CB 4.14Å; F51-L56 HydrophobicContact CD1-CD1 4.32Å; F51-L56 HydrophobicContact CE1-CB 4.3Å; F51-L57 HydrophobicContact CD1-CD1 3.73Å; F51-L57 HydrophobicContact CD1-CG 4.39Å; F51-L57 HydrophobicContact CD2-CD1 4.48Å; F51-L57 HydrophobicContact CE1-CD1 3.8Å; F51-L57 HydrophobicContact CE1-CD2 4.35Å; F51-L57 HydrophobicContact CE1-CG 3.95Å; F51-L57 HydrophobicContact CE2-CD2 4.21Å; F51-L57 HydrophobicContact CG-CD1 4.08Å; F51-L57 HydrophobicContact CZ-CD1 4.23Å; F51-L57 HydrophobicContact CZ-CD2 3.99Å; F51-L57 HydrophobicContact CZ-CG 4.09Å; F51-L69 HydrophobicContact CD2-CD2 4.17Å; F51-N72 HydrophobicContact CB-CB 4.17Å; F51-N72 WeakPolarHBondContact CD2-OD1 3.31Å; F51-N72 PolarHBondContact N-OD1 3.18Å; F51-L73 CarbonylContact O-C 3.46Å; F51-L73 VanDerWaalsContact O-C 3.28Å; F51-L73 WeakPolarHBondContact O-CA 3.37Å; F51-L73 PolarHBondContact O-N 2.84Å; F51-L74 HydrophobicContact CB-CD2 4.41Å; F51-L74 PolarHBondContact O-N 3.05Å
52	T	83.1	Confident	78.8	Confident	78 Å²	78	57.9 Å²	57.9	48%	0.479	30%	0.302	S	S	.	.			trans	-103.5	-20.8	180	50.6	0	0	0	0	114	G50 L73	G50-T52 PolarHBondContact O-N 3.41Å; T52-L73 HydrophobicContact CG2-CB 4.02Å
53	T	81.6	Confident	78.4	Confident	48 Å²	48	62.5 Å²	62.5	29%	0.294	32%	0.318	S	S	.	.			trans	-143.2	152.1	173.5	57.2	0	0	0	0	110.9	S55	T53-S55 VanDerWaalsContact C-N 3.33Å
54	V	81.9	Confident	78.4	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-76.1	-25.8	-178.6	178.9	0	0	0	0	111	L56 L57 L74 L77 E81 F82 Y85	V54-L56 PolarHBondContact O-N 3.46Å; V54-L57 PolarHBondContact O-N 3.25Å; V54-L74 HydrophobicContact CG2-CD1 4.23Å; V54-L74 HydrophobicContact CG2-CD2 4.21Å; V54-L77 HydrophobicContact CG2-CD2 3.95Å; V54-E81 HydrophobicContact CB-CB 4.29Å; V54-E81 PolarHBondContact N-OE1 3.22Å; V54-E81 VanDerWaalsContact N-OE1 3.12Å; V54-F82 HydrophobicContact CB-CZ 4.38Å; V54-F82 HydrophobicContact CG1-CD1 4.1Å; V54-F82 HydrophobicContact CG1-CE1 3.73Å; V54-F82 HydrophobicContact CG1-CE2 4.41Å; V54-F82 HydrophobicContact CG1-CZ 3.9Å; V54-F82 HydrophobicContact CG2-CE1 4.37Å; V54-F82 HydrophobicContact CG2-CE2 4.06Å; V54-F82 HydrophobicContact CG2-CZ 3.72Å; V54-Y85 HydrophobicContact CG1-CE1 4.34Å; V54-Y85 HydrophobicContact CG1-CE2 4Å; V54-Y85 WeakPolarHBondContact CG1-OH 3.35Å; V54-Y85 PolarHBondContact O-OH 3.21Å
55	S	72.6	Confident	78.3	Confident	87 Å²	87	66.4 Å²	66.4	61%	0.608	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-63	-11.6	177.6	-45.8	0	0	0	0	115.1	T53 L57	T53-S55 VanDerWaalsContact C-N 3.33Å; S55-L57 PolarHBondContact O-N 2.76Å
56	L	68.8	Low	78.5	Confident	95 Å²	95	66.7 Å²	66.7	50%	0.497	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-74.6	-7.8	171.4	-68.5	170.7	0	0	0	113.2	F51 V54	F51-L56 HydrophobicContact CD1-CB 4.14Å; F51-L56 HydrophobicContact CD1-CD1 4.32Å; F51-L56 HydrophobicContact CE1-CB 4.3Å; V54-L56 PolarHBondContact O-N 3.46Å
57	L	72.9	Confident	78.7	Confident	6 Å²	6	66.9 Å²	66.9	3%	0.031	34%	0.339	C	S	.	.			trans	-114.2	128.8	177.4	-58.8	98.2	0	0	0	109.1	I28 C46 F51 V54 S55 L69 Y85	I28-L57 HydrophobicContact CD1-CB 3.84Å; I28-L57 HydrophobicContact CD1-CD2 4.43Å; I28-L57 HydrophobicContact CG1-CB 4.4Å; I28-L57 HydrophobicContact CG2-CD2 4.37Å; C46-L57 HydrophobicContact CB-CD2 4.23Å; C46-L57 WeakPolarHBondContact SG-CD2 3.15Å; F51-L57 HydrophobicContact CD1-CD1 3.73Å; F51-L57 HydrophobicContact CD1-CG 4.39Å; F51-L57 HydrophobicContact CD2-CD1 4.48Å; F51-L57 HydrophobicContact CE1-CD1 3.8Å; F51-L57 HydrophobicContact CE1-CD2 4.35Å; F51-L57 HydrophobicContact CE1-CG 3.95Å; F51-L57 HydrophobicContact CE2-CD2 4.21Å; F51-L57 HydrophobicContact CG-CD1 4.08Å; F51-L57 HydrophobicContact CZ-CD1 4.23Å; F51-L57 HydrophobicContact CZ-CD2 3.99Å; F51-L57 HydrophobicContact CZ-CG 4.09Å; V54-L57 PolarHBondContact O-N 3.25Å; S55-L57 PolarHBondContact O-N 2.76Å; L57-L69 HydrophobicContact CD1-CD2 4.36Å; L57-L69 HydrophobicContact CD2-CD2 4.2Å; L57-Y85 VanDerWaalsContact CB-OH 3.29Å; L57-Y85 WeakPolarHBondContact CB-OH 3.33Å; L57-Y85 PolarHBondContact O-OH 2.97Å
58	Q	71.4	Confident	78.8	Confident	141 Å²	141	65.8 Å²	65.8	66%	0.659	33%	0.334	S	S	*	.			trans	-114	101.5	174.9	-174.5	172.8	-0.6	0	0	109.8	I28	I28-Q58 VanDerWaalsContact CD1-O 3.27Å; I28-Q58 WeakPolarHBondContact CD1-O 3.23Å; I28-Q58 WeakPolarHBondContact CG1-O 3.42Å
59	P	72.1	Confident	79	Confident	10 Å²	10	60 Å²	60	7%	0.065	30%	0.303	C	S	.	.			trans	-77.6	161.8	-169.1	32.4	-38.8	0	0	0	113.7	Q61 Y65 N84 Y85	P59-Q61 PolarHBondContact O-N 3.1Å; P59-Y65 HydrophobicContact CB-CE1 4.02Å; P59-Y65 HydrophobicContact CB-CE2 4.36Å; P59-Y65 WeakPolarHBondContact CB-OH 3.42Å; P59-Y65 WeakPolarHBondContact CG-OH 3.48Å; P59-N84 HydrophobicContact CG-CB 4.31Å; P59-N84 WeakPolarHBondContact CG-O 3.45Å; P59-Y85 HydrophobicContact CB-CD1 4.11Å; P59-Y85 HydrophobicContact CB-CE1 3.99Å; P59-Y85 HydrophobicContact CG-CD1 3.83Å; P59-Y85 HydrophobicContact CG-CD2 3.88Å; P59-Y85 HydrophobicContact CG-CE1 3.78Å; P59-Y85 HydrophobicContact CG-CE2 3.86Å; P59-Y85 HydrophobicContact CG-CG 3.87Å
60	P	70.2	Confident	79.3	Confident	39 Å²	39	55.5 Å²	55.5	25%	0.253	28%	0.284	S	S	.	.			trans	-70.9	120.2	175.8	28.9	-33.7	0	0	0	111.7	L42 I44 Y62 Y65	L42-P60 HydrophobicContact CD2-CG 3.81Å; I44-P60 HydrophobicContact CD1-CG 4.42Å; P60-Y62 VanDerWaalsContact C-N 3.34Å; P60-Y62 PolarHBondContact O-N 2.83Å; P60-Y65 HydrophobicContact CG-CD1 4.12Å; P60-Y65 HydrophobicContact CG-CE1 4.39Å
61	Q	68.9	Low	79.3	Confident	106 Å²	106	54.9 Å²	54.9	50%	0.495	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-16.2	-173.1	-66.9	-179.5	-26.3	0	0	115.1	P59 N87	P59-Q61 PolarHBondContact O-N 3.1Å; Q61-N87 PolarHBondContact O-ND2 3.32Å
62	Y	71.4	Confident	79.5	Confident	214 Å²	214	54.8 Å²	54.8	84%	0.839	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	5	-170.5	-55.8	-69.2	0	0	0	114.7	P60	P60-Y62 VanDerWaalsContact C-N 3.34Å; P60-Y62 PolarHBondContact O-N 2.83Å
63	R	76.1	Confident	79.8	Confident	111 Å²	111	55.9 Å²	55.9	42%	0.419	28%	0.28	S	S	.	.	S	Bend	trans	-122.8	151.6	177.8	-73.2	179.4	167.1	-162.4	-20	110.3	E37 Y65 N87	E37-R63 IonicContact OE1-CZ 3.05Å; E37-R63 IonicContact OE1-NE 3.89Å; E37-R63 PolarHBondContact OE1-NE 3.09Å; E37-R63 IonicContact OE1-NH1 2.7Å; E37-R63 PolarHBondContact OE1-NH1 3.03Å; E37-R63 IonicContact OE1-NH2 2.77Å; E37-R63 PolarHBondContact OE1-NH2 2.86Å; E37-R63 IonicContact OE2-CZ 3.41Å; E37-R63 IonicContact OE2-NH1 2.82Å; E37-R63 PolarHBondContact OE2-NH1 3.04Å; E37-R63 IonicContact OE2-NH2 2.89Å; E37-R63 PolarHBondContact OE2-NH2 3Å; R63-Y65 WeakPolarHBondContact O-CD1 3.48Å; R63-N87 WeakPolarHBondContact O-CB 3.23Å; R63-N87 PolarHBondContact O-ND2 2.88Å
64	I	82.6	Confident	80.2	Confident	85 Å²	85	53.6 Å²	53.6	44%	0.436	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	144.2	169.8	-56.6	-179.7	0	0	0	107.6	V41 L42 N87 V89	V41-I64 CarbonylContact C-O 3.42Å; V41-I64 WeakPolarHBondContact CA-O 3.29Å; V41-I64 HydrophobicContact CG1-CG2 4.26Å; V41-I64 HydrophobicContact CG2-CB 4.34Å; V41-I64 HydrophobicContact CG2-CG2 4.04Å; L42-I64 PolarHBondContact N-O 3.38Å; I64-N87 WeakPolarHBondContact CA-O 3.23Å; I64-V89 HydrophobicContact CG2-CB 4.39Å; I64-V89 HydrophobicContact CG2-CG2 3.37Å
65	Y	85.9	Confident	80.5	Confident	1 Å²	1	56.9 Å²	56.9	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	162.6	-177.8	59.1	-96.4	0	0	0	116.1	L42 I44 P59 P60 R63 L67 Y85 N87 A88 V89	L42-Y65 CarbonylContact O-C 3.56Å; L42-Y65 WeakPolarHBondContact O-CA 3.27Å; L42-Y65 WeakPolarHBondContact O-CB 3.42Å; I44-Y65 HydrophobicContact CD1-CD2 3.81Å; I44-Y65 HydrophobicContact CD1-CE2 4.34Å; I44-Y65 HydrophobicContact CD1-CG 3.96Å; P59-Y65 HydrophobicContact CB-CE1 4.02Å; P59-Y65 HydrophobicContact CB-CE2 4.36Å; P59-Y65 WeakPolarHBondContact CB-OH 3.42Å; P59-Y65 WeakPolarHBondContact CG-OH 3.48Å; P60-Y65 HydrophobicContact CG-CD1 4.12Å; P60-Y65 HydrophobicContact CG-CE1 4.39Å; R63-Y65 WeakPolarHBondContact O-CD1 3.48Å; Y65-L67 HydrophobicContact CD2-CB 4.39Å; Y65-L67 HydrophobicContact CE2-CB 4.46Å; Y65-Y85 HydrophobicContact CE2-CD1 4.08Å; Y65-Y85 WeakPolarHBondContact OH-CA 3.42Å; Y65-Y85 VanDerWaalsContact OH-CB 3.32Å; Y65-Y85 WeakPolarHBondContact OH-CB 3.43Å; Y65-Y85 WeakPolarHBondContact OH-CD1 3.39Å; Y65-N87 HydrophobicContact CD1-CB 4.35Å; Y65-N87 HydrophobicContact CE1-CB 4.18Å; Y65-N87 PolarHBondContact N-O 2.83Å; Y65-N87 VanDerWaalsContact N-O 3.1Å; Y65-A88 HydrophobicContact CD2-CB 4.11Å; Y65-A88 HydrophobicContact CE2-CB 3.65Å; Y65-A88 CarbonylContact O-C 3.49Å; Y65-A88 WeakPolarHBondContact O-CA 3.33Å; Y65-V89 PolarHBondContact O-N 3Å
66	Q	87.6	Confident	81.4	Confident	40 Å²	40	57.8 Å²	57.8	19%	0.187	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.7	167.5	-54.4	-171.7	-1.6	0	0	108.7	V41 L42 N43 I44 F68	V41-Q66 HydrophobicContact CG1-CG 3.92Å; L42-Q66 PolarHBondContact O-N 3.49Å; N43-Q66 PolarHBondContact OD1-OE1 3.23Å; I44-Q66 WeakPolarHBondContact CB-O 3.48Å; I44-Q66 PolarHBondContact N-O 2.95Å; Q66-F68 HydrophobicContact CB-CE2 3.87Å; Q66-F68 HydrophobicContact CB-CZ 4.24Å
67	L	88.6	Confident	82.5	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	115.3	-175	-179.8	57.1	0	0	0	111.2	I44 Y65 L69 Y85 T90 L91 H92	I44-L67 HydrophobicContact CB-CD1 3.99Å; I44-L67 HydrophobicContact CG2-CD1 3.8Å; Y65-L67 HydrophobicContact CD2-CB 4.39Å; Y65-L67 HydrophobicContact CE2-CB 4.46Å; L67-L69 HydrophobicContact CD1-CD1 4.3Å; L67-L69 HydrophobicContact CD1-CG 4.12Å; L67-L69 HydrophobicContact CD2-CD1 3.82Å; L67-L69 HydrophobicContact CG-CD1 3.88Å; L67-L69 HydrophobicContact CG-CG 4.06Å; L67-Y85 HydrophobicContact CD2-CD1 3.89Å; L67-Y85 HydrophobicContact CD2-CE1 3.59Å; L67-T90 PolarHBondContact N-O 2.93Å; L67-L91 HydrophobicContact CB-CD1 4.15Å; L67-L91 HydrophobicContact CD2-CD1 4.02Å; L67-L91 HydrophobicContact CG-CD1 4.05Å; L67-L91 WeakPolarHBondContact O-CA 3.29Å; L67-H92 PolarHBondContact O-N 3.02Å
68	F	86.9	Confident	83.3	Confident	30 Å²	30	57.5 Å²	57.5	13%	0.132	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	108.6	179.6	-54.2	-95	0	0	0	109.4	N43 I44 C46 E47 Q66 H92	N43-F68 HydrophobicContact CB-CE2 4.34Å; I44-F68 PolarHBondContact O-N 2.03Å; C46-F68 CarbonylContact C-O 3.37Å; C46-F68 VanDerWaalsContact CA-O 3.31Å; C46-F68 WeakPolarHBondContact CA-O 3.47Å; C46-F68 VanDerWaalsContact CB-O 3.29Å; C46-F68 WeakPolarHBondContact CB-O 3.49Å; C46-F68 PolarHBondContact N-O 2.82Å; E47-F68 HydrophobicContact CG-CB 3.9Å; Q66-F68 HydrophobicContact CB-CE2 3.87Å; Q66-F68 HydrophobicContact CB-CZ 4.24Å; F68-H92 HydrophobicContact CD1-CB 4.34Å; F68-H92 AromaticContact CD1-CD2 3.29Å; F68-H92 WeakPolarHBondContact CD1-CD2 2.96Å; F68-H92 AromaticContact CD1-CG 3.87Å; F68-H92 AromaticContact CD1-NE2 3.78Å; F68-H92 AromaticContact CE1-CD2 3.35Å; F68-H92 WeakPolarHBondContact CE1-CD2 3.17Å; F68-H92 AromaticContact CE1-NE2 3.34Å; F68-H92 VanDerWaalsContact CE1-NE2 3.34Å; F68-H92 WeakPolarHBondContact CE1-NE2 3.1Å
69	L	88.1	Confident	84.1	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.257	C	S	.	.			trans	-116.5	21.6	-179.7	-77.8	164.2	0	0	0	111.8	C46 F51 L57 L67 N72 L74 L91 H92 L93 N96	C46-L69 HydrophobicContact CB-CD2 3.59Å; C46-L69 HydrophobicContact CB-CG 4.32Å; F51-L69 HydrophobicContact CD2-CD2 4.17Å; L57-L69 HydrophobicContact CD1-CD2 4.36Å; L57-L69 HydrophobicContact CD2-CD2 4.2Å; L67-L69 HydrophobicContact CD1-CD1 4.3Å; L67-L69 HydrophobicContact CD1-CG 4.12Å; L67-L69 HydrophobicContact CD2-CD1 3.82Å; L67-L69 HydrophobicContact CG-CD1 3.88Å; L67-L69 HydrophobicContact CG-CG 4.06Å; L69-N72 VanDerWaalsContact C-ND2 3.29Å; L69-N72 PolarHBondContact O-ND2 2.95Å; L69-L74 HydrophobicContact CB-CD1 4.24Å; L69-L74 HydrophobicContact CD1-CD1 4.27Å; L69-L91 HydrophobicContact CD1-CD1 4.31Å; L69-H92 WeakPolarHBondContact CA-O 3.12Å; L69-H92 WeakPolarHBondContact CB-O 3.14Å; L69-H92 PolarHBondContact N-O 3.45Å; L69-L93 HydrophobicContact CB-CD2 3.97Å; L69-L93 HydrophobicContact CD1-CD2 4.06Å; L69-N96 PolarHBondContact O-ND2 3.08Å
70	N	88.3	Confident	84.7	Confident	28 Å²	28	57.7 Å²	57.7	15%	0.15	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	147.9	-177.8	-60.9	-44.5	0	0	0	113	E47 N48 N72 H92 G94	E47-N70 WeakPolarHBondContact CA-O 3.3Å; E47-N70 HydrophobicContact CG-CB 3.98Å; E47-N70 WeakPolarHBondContact OE1-CB 3.32Å; E47-N70 PolarHBondContact OE1-ND2 3.37Å; N48-N70 PolarHBondContact N-O 3.27Å; N70-N72 VanDerWaalsContact C-N 3.25Å; N70-N72 PolarHBondContact O-N 3.3Å; N70-N72 PolarHBondContact O-ND2 2.77Å; N70-H92 WeakPolarHBondContact ND2-CB 3.41Å; N70-H92 WeakPolarHBondContact OD1-CB 3.3Å; N70-G94 VanDerWaalsContact CA-O 3.31Å; N70-G94 WeakPolarHBondContact CA-O 3.41Å; N70-G94 WeakPolarHBondContact OD1-CA 3.31Å; N70-G94 PolarHBondContact OD1-N 3.01Å
71	G	83.4	Confident	85.3	Confident	24 Å²	24	56.9 Å²	56.9	25%	0.247	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	22.5	175	0	0	0	0	0	115	N48 G94	N48-G71 WeakPolarHBondContact OD1-CA 3.33Å; N48-G71 PolarHBondContact OD1-O 2.99Å; G71-G94 PolarHBondContact N-O 2.9Å; G71-G94 VanDerWaalsContact N-O 3.1Å
72	N	88.1	Confident	86.2	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.021	25%	0.247	C	C	.	.	S	Bend	trans	-92.9	-172	173.2	-74.7	-72.8	0	0	0	111.3	C46 K49 G50 F51 L69 N70 L74 N96	C46-N72 PolarHBondContact O-ND2 2.82Å; K49-N72 PolarHBondContact N-OD1 2.82Å; K49-N72 VanDerWaalsContact N-OD1 3.1Å; G50-N72 PolarHBondContact N-OD1 2.7Å; F51-N72 HydrophobicContact CB-CB 4.17Å; F51-N72 WeakPolarHBondContact CD2-OD1 3.31Å; F51-N72 PolarHBondContact N-OD1 3.18Å; L69-N72 VanDerWaalsContact C-ND2 3.29Å; L69-N72 PolarHBondContact O-ND2 2.95Å; N70-N72 VanDerWaalsContact C-N 3.25Å; N70-N72 PolarHBondContact O-N 3.3Å; N70-N72 PolarHBondContact O-ND2 2.77Å; N72-L74 HydrophobicContact CB-CG 4.33Å; N72-N96 WeakPolarHBondContact CA-OD1 3.48Å; N72-N96 VanDerWaalsContact CB-OD1 3.23Å; N72-N96 WeakPolarHBondContact CB-OD1 3.31Å; N72-N96 WeakPolarHBondContact O-CA 3.39Å; N72-N96 PolarHBondContact O-OD1 2.83Å
73	L	88.5	Confident	86.9	Confident	101 Å²	101	45 Å²	45	53%	0.529	23%	0.227	S	C	.	.			trans	-111	32.2	-175	-62.7	174.1	0	0	0	111.6	F51 T52 T75	F51-L73 CarbonylContact O-C 3.46Å; F51-L73 VanDerWaalsContact O-C 3.28Å; F51-L73 WeakPolarHBondContact O-CA 3.37Å; F51-L73 PolarHBondContact O-N 2.84Å; T52-L73 HydrophobicContact CG2-CB 4.02Å; L73-T75 PolarHBondContact O-N 3.33Å
74	L	89.5	Confident	87.2	Confident	1 Å²	1	44 Å²	44	1%	0.005	23%	0.23	C	C	.	.			trans	-73.4	73.1	178.6	-55.9	174.5	0	0	0	109.9	F51 V54 L69 N72 R76 L93 N96 L98	F51-L74 HydrophobicContact CB-CD2 4.41Å; F51-L74 PolarHBondContact O-N 3.05Å; V54-L74 HydrophobicContact CG2-CD1 4.23Å; V54-L74 HydrophobicContact CG2-CD2 4.21Å; L69-L74 HydrophobicContact CB-CD1 4.24Å; L69-L74 HydrophobicContact CD1-CD1 4.27Å; N72-L74 HydrophobicContact CB-CG 4.33Å; L74-R76 VanDerWaalsContact C-N 3.27Å; L74-R76 PolarHBondContact O-N 3.07Å; L74-L93 HydrophobicContact CD1-CD2 3.57Å; L74-N96 HydrophobicContact CB-CB 4.24Å; L74-N96 VanDerWaalsContact CB-OD1 3.23Å; L74-N96 WeakPolarHBondContact CB-OD1 3.29Å; L74-N96 WeakPolarHBondContact CD1-OD1 3.48Å; L74-N96 VanDerWaalsContact CG-OD1 3.23Å; L74-N96 WeakPolarHBondContact CG-OD1 3.39Å; L74-N96 PolarHBondContact N-OD1 3.37Å; L74-L98 WeakPolarHBondContact O-CD2 3.46Å; L74-L98 WeakPolarHBondContact O-CG 3.43Å
75	T	89.3	Confident	87.3	Confident	69 Å²	69	40.2 Å²	40.2	42%	0.423	21%	0.21	S	C	.	.			trans	-69	-22.7	-175.8	55.9	0	0	0	0	113.9	L73 Q99	L73-T75 PolarHBondContact O-N 3.33Å; T75-Q99 PolarHBondContact O-N 2.87Å
76	R	90.8	Very high	87.3	Confident	105 Å²	105	42.6 Å²	42.6	40%	0.396	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	145.5	177.7	-60.9	-176.9	-177.1	142.5	6.3	110.3	L74 Y78 Q99 E100	L74-R76 VanDerWaalsContact C-N 3.27Å; L74-R76 PolarHBondContact O-N 3.07Å; R76-Y78 HydrophobicContact CB-CE2 4.36Å; R76-Q99 VanDerWaalsContact NH2-OE1 3.14Å; R76-E100 VanDerWaalsContact CA-O 3.3Å; R76-E100 WeakPolarHBondContact CA-O 3.48Å
77	L	91.8	Very high	87.3	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.9	169.9	-59.9	175.9	0	0	0	110.7	V54 E81 F82 L93 L98 E100 I101 R102 A105 F106	V54-L77 HydrophobicContact CG2-CD2 3.95Å; L77-E81 WeakPolarHBondContact CA-OE2 3.01Å; L77-F82 HydrophobicContact CD1-CE2 4.16Å; L77-F82 HydrophobicContact CD2-CE2 4.2Å; L77-L93 HydrophobicContact CD1-CD1 4.09Å; L77-L98 HydrophobicContact CD1-CD2 4.17Å; L77-L98 HydrophobicContact CD2-CD2 4.28Å; L77-L98 HydrophobicContact CG-CD2 3.69Å; L77-E100 PolarHBondContact N-O 3.18Å; L77-E100 VanDerWaalsContact N-O 3.07Å; L77-I101 HydrophobicContact CB-CG2 4.43Å; L77-I101 HydrophobicContact CD1-CG1 4.23Å; L77-I101 HydrophobicContact CD1-CG2 4.41Å; L77-R102 VanDerWaalsContact O-CB 3.3Å; L77-R102 WeakPolarHBondContact O-CB 3.26Å; L77-R102 WeakPolarHBondContact O-CG 3.32Å; L77-R102 PolarHBondContact O-N 3.01Å; L77-A105 HydrophobicContact CB-CB 3.85Å; L77-F106 HydrophobicContact CD1-CE1 3.75Å; L77-F106 HydrophobicContact CD1-CZ 3.9Å
78	Y	89.3	Confident	87.3	Confident	95 Å²	95	42.3 Å²	42.3	37%	0.373	23%	0.227	S	C	.	.			trans	-101.6	154.5	-177.8	-67.5	-92.6	0	0	0	111.8	R76 N80 E81 A105	R76-Y78 HydrophobicContact CB-CE2 4.36Å; Y78-N80 PolarHBondContact O-N 3.15Å; Y78-E81 PolarHBondContact N-OE2 2.86Å; Y78-E81 PolarHBondContact O-N 3.26Å; Y78-A105 VanDerWaalsContact O-CA 3.32Å; Y78-A105 WeakPolarHBondContact O-CA 3.4Å; Y78-A105 WeakPolarHBondContact O-CB 3.1Å
79	P	87.9	Confident	87.4	Confident	61 Å²	61	42.4 Å²	42.4	40%	0.396	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	138.9	179.4	-23.5	35	0	0	0	111.7	E81 R102 T103	P79-E81 PolarHBondContact O-N 2.93Å; P79-R102 HydrophobicContact CG-CB 3.98Å; P79-T103 WeakPolarHBondContact CB-O 3.49Å; P79-T103 WeakPolarHBondContact CG-O 3.44Å
80	N	84.8	Confident	87.5	Confident	94 Å²	94	42.7 Å²	42.7	50%	0.503	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	10.4	177.6	-60.4	-51.7	0	0	0	117.1	Y78 F82 V83 G104 S107	Y78-N80 PolarHBondContact O-N 3.15Å; N80-F82 PolarHBondContact O-N 3.15Å; N80-F82 VanDerWaalsContact O-N 3.15Å; N80-V83 HydrophobicContact CB-CB 4.49Å; N80-V83 HydrophobicContact CB-CG2 3.54Å; N80-V83 PolarHBondContact O-N 3.37Å; N80-V83 VanDerWaalsContact O-N 3.11Å; N80-V83 WeakPolarHBondContact OD1-CG2 3.31Å; N80-G104 PolarHBondContact N-O 2.86Å; N80-S107 WeakPolarHBondContact OD1-CB 3.44Å; N80-S107 PolarHBondContact OD1-OG 3.1Å
81	E	83.8	Confident	87.7	Confident	21 Å²	21	41.4 Å²	41.4	10%	0.098	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.5	173.9	-85	-170.4	110.7	0	0	112.8	V54 L77 Y78 P79	V54-E81 HydrophobicContact CB-CB 4.29Å; V54-E81 PolarHBondContact N-OE1 3.22Å; V54-E81 VanDerWaalsContact N-OE1 3.12Å; L77-E81 WeakPolarHBondContact CA-OE2 3.01Å; Y78-E81 PolarHBondContact N-OE2 2.86Å; Y78-E81 PolarHBondContact O-N 3.26Å; P79-E81 PolarHBondContact O-N 2.93Å
82	F	87.6	Confident	88	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	14.4	179.8	-67.1	-86.7	0	0	0	115	V54 L77 N80 N84 Y85 L91 L93 A105 F106 S107 L109	V54-F82 HydrophobicContact CB-CZ 4.38Å; V54-F82 HydrophobicContact CG1-CD1 4.1Å; V54-F82 HydrophobicContact CG1-CE1 3.73Å; V54-F82 HydrophobicContact CG1-CE2 4.41Å; V54-F82 HydrophobicContact CG1-CZ 3.9Å; V54-F82 HydrophobicContact CG2-CE1 4.37Å; V54-F82 HydrophobicContact CG2-CE2 4.06Å; V54-F82 HydrophobicContact CG2-CZ 3.72Å; L77-F82 HydrophobicContact CD1-CE2 4.16Å; L77-F82 HydrophobicContact CD2-CE2 4.2Å; N80-F82 PolarHBondContact O-N 3.15Å; N80-F82 VanDerWaalsContact O-N 3.15Å; F82-N84 VanDerWaalsContact C-N 3.28Å; F82-N84 PolarHBondContact O-N 2.78Å; F82-Y85 HydrophobicContact CB-CD2 4.29Å; F82-Y85 HydrophobicContact CB-CG 4.41Å; F82-Y85 HydrophobicContact CD1-CD1 4.03Å; F82-Y85 HydrophobicContact CD1-CD2 4.1Å; F82-Y85 HydrophobicContact CD1-CE1 4.47Å; F82-Y85 AromaticContact CD1-CG 3.84Å; F82-Y85 HydrophobicContact CD1-CG 3.84Å; F82-Y85 VanDerWaalsContact O-CB 3.31Å; F82-Y85 WeakPolarHBondContact O-CB 3.09Å; F82-Y85 PolarHBondContact O-N 3.38Å; F82-L91 HydrophobicContact CD1-CD2 4.36Å; F82-L91 HydrophobicContact CE1-CD1 4.18Å; F82-L91 HydrophobicContact CE1-CD2 3.73Å; F82-L91 HydrophobicContact CZ-CD2 3.9Å; F82-L93 HydrophobicContact CZ-CD1 4.42Å; F82-A105 WeakPolarHBondContact CD2-O 3.39Å; F82-F106 HydrophobicContact CD2-CD1 4.03Å; F82-F106 HydrophobicContact CE2-CD1 4.09Å; F82-F106 HydrophobicContact CE2-CE1 4.14Å; F82-S107 CarbonylContact C-O 3.41Å; F82-L109 HydrophobicContact CB-CD1 3.9Å; F82-L109 HydrophobicContact CB-CD2 3.94Å; F82-L109 HydrophobicContact CB-CG 3.67Å; F82-L109 HydrophobicContact CD1-CD1 3.97Å; F82-L109 HydrophobicContact CD1-CD2 4.01Å; F82-L109 HydrophobicContact CD1-CG 4.31Å; F82-L109 HydrophobicContact CD2-CD1 4.36Å; F82-L109 HydrophobicContact CG-CD1 3.83Å; F82-L109 HydrophobicContact CG-CD2 4.28Å; F82-L109 HydrophobicContact CG-CG 4.13Å
83	V	85.4	Confident	88.2	Confident	70 Å²	70	41.1 Å²	41.1	42%	0.424	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-37.4	-178	158.8	0	0	0	0	113	N80 Y85 S107	N80-V83 HydrophobicContact CB-CB 4.49Å; N80-V83 HydrophobicContact CB-CG2 3.54Å; N80-V83 PolarHBondContact O-N 3.37Å; N80-V83 VanDerWaalsContact O-N 3.11Å; N80-V83 WeakPolarHBondContact OD1-CG2 3.31Å; V83-Y85 PolarHBondContact O-N 3.46Å; V83-S107 VanDerWaalsContact CA-O 3.31Å; V83-S107 WeakPolarHBondContact CA-O 2.95Å; V83-S107 WeakPolarHBondContact CG2-O 3.01Å; V83-S107 PolarHBondContact N-O 3.41Å; V83-S107 VanDerWaalsContact N-O 3.11Å
84	N	82.6	Confident	88.2	Confident	90 Å²	90	36.3 Å²	36.3	48%	0.481	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	2.4	177.3	-68.4	-28.5	0	0	0	113.7	P59 F82	P59-N84 HydrophobicContact CG-CB 4.31Å; P59-N84 WeakPolarHBondContact CG-O 3.45Å; F82-N84 VanDerWaalsContact C-N 3.28Å; F82-N84 PolarHBondContact O-N 2.78Å
85	Y	86.2	Confident	88.2	Confident	6 Å²	6	40.6 Å²	40.6	2%	0.024	22%	0.215	C	C	.	.			trans	-103	29	-169.5	-66.8	-111	0	0	0	113.9	V54 L57 P59 Y65 L67 F82 V83 N87 A88 L109	V54-Y85 HydrophobicContact CG1-CE1 4.34Å; V54-Y85 HydrophobicContact CG1-CE2 4Å; V54-Y85 WeakPolarHBondContact CG1-OH 3.35Å; V54-Y85 PolarHBondContact O-OH 3.21Å; L57-Y85 VanDerWaalsContact CB-OH 3.29Å; L57-Y85 WeakPolarHBondContact CB-OH 3.33Å; L57-Y85 PolarHBondContact O-OH 2.97Å; P59-Y85 HydrophobicContact CB-CD1 4.11Å; P59-Y85 HydrophobicContact CB-CE1 3.99Å; P59-Y85 HydrophobicContact CG-CD1 3.83Å; P59-Y85 HydrophobicContact CG-CD2 3.88Å; P59-Y85 HydrophobicContact CG-CE1 3.78Å; P59-Y85 HydrophobicContact CG-CE2 3.86Å; P59-Y85 HydrophobicContact CG-CG 3.87Å; Y65-Y85 HydrophobicContact CE2-CD1 4.08Å; Y65-Y85 WeakPolarHBondContact OH-CA 3.42Å; Y65-Y85 VanDerWaalsContact OH-CB 3.32Å; Y65-Y85 WeakPolarHBondContact OH-CB 3.43Å; Y65-Y85 WeakPolarHBondContact OH-CD1 3.39Å; L67-Y85 HydrophobicContact CD2-CD1 3.89Å; L67-Y85 HydrophobicContact CD2-CE1 3.59Å; F82-Y85 HydrophobicContact CB-CD2 4.29Å; F82-Y85 HydrophobicContact CB-CG 4.41Å; F82-Y85 HydrophobicContact CD1-CD1 4.03Å; F82-Y85 HydrophobicContact CD1-CD2 4.1Å; F82-Y85 HydrophobicContact CD1-CE1 4.47Å; F82-Y85 AromaticContact CD1-CG 3.84Å; F82-Y85 HydrophobicContact CD1-CG 3.84Å; F82-Y85 VanDerWaalsContact O-CB 3.31Å; F82-Y85 WeakPolarHBondContact O-CB 3.09Å; F82-Y85 PolarHBondContact O-N 3.38Å; V83-Y85 PolarHBondContact O-N 3.46Å; Y85-N87 PolarHBondContact O-N 3.11Å; Y85-A88 PolarHBondContact O-N 3.11Å; Y85-A88 VanDerWaalsContact O-N 3.12Å; Y85-L109 VanDerWaalsContact CB-CD2 3.49Å; Y85-L109 WeakPolarHBondContact O-CD2 3.39Å
86	S	84.7	Confident	88.1	Confident	52 Å²	52	37.6 Å²	37.6	36%	0.364	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-16.9	-169.5	57.8	0	0	0	0	117	G108 T111	S86-G108 WeakPolarHBondContact CA-O 3.21Å; S86-T111 WeakPolarHBondContact O-CG2 3.12Å; S86-T111 PolarHBondContact O-OG1 3.18Å
87	N	87.6	Confident	88.1	Confident	34 Å²	34	33.5 Å²	33.5	18%	0.182	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	7	-172.8	-45.8	-12.1	0	0	0	112.8	Q61 R63 I64 Y65 Y85 T111	Q61-N87 PolarHBondContact O-ND2 3.32Å; R63-N87 WeakPolarHBondContact O-CB 3.23Å; R63-N87 PolarHBondContact O-ND2 2.88Å; I64-N87 WeakPolarHBondContact CA-O 3.23Å; Y65-N87 HydrophobicContact CD1-CB 4.35Å; Y65-N87 HydrophobicContact CE1-CB 4.18Å; Y65-N87 PolarHBondContact N-O 2.83Å; Y65-N87 VanDerWaalsContact N-O 3.1Å; Y85-N87 PolarHBondContact O-N 3.11Å; N87-T111 VanDerWaalsContact C-OG1 3.24Å; N87-T111 WeakPolarHBondContact CA-OG1 3.45Å
88	A	88.9	Confident	88.1	Confident	2 Å²	2	33.4 Å²	33.4	2%	0.017	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	133.2	174.5	0	0	0	0	0	110.2	Y65 Y85 L109 T111 L112	Y65-A88 HydrophobicContact CD2-CB 4.11Å; Y65-A88 HydrophobicContact CE2-CB 3.65Å; Y65-A88 CarbonylContact O-C 3.49Å; Y65-A88 WeakPolarHBondContact O-CA 3.33Å; Y85-A88 PolarHBondContact O-N 3.11Å; Y85-A88 VanDerWaalsContact O-N 3.12Å; A88-L109 HydrophobicContact CB-CD2 3.95Å; A88-T111 PolarHBondContact N-OG1 3.24Å; A88-T111 CarbonylContact O-C 3.55Å; A88-T111 VanDerWaalsContact O-C 3.27Å; A88-T111 PolarHBondContact O-OG1 3.12Å; A88-L112 HydrophobicContact CB-CD1 4Å; A88-L112 VanDerWaalsContact O-CA 3.27Å; A88-L112 WeakPolarHBondContact O-CA 3.44Å; A88-L112 PolarHBondContact O-N 3.45Å; A88-L112 VanDerWaalsContact O-N 3.15Å
89	V	89.9	Confident	88.2	Confident	32 Å²	32	33.3 Å²	33.3	19%	0.194	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-33.3	177.6	168.6	0	0	0	0	111.8	I64 Y65 K113 R114	I64-V89 HydrophobicContact CG2-CB 4.39Å; I64-V89 HydrophobicContact CG2-CG2 3.37Å; Y65-V89 PolarHBondContact O-N 3Å; V89-K113 HydrophobicContact CG1-CB 4.23Å; V89-K113 HydrophobicContact CG1-CD 4.11Å; V89-K113 HydrophobicContact CG1-CG 4.26Å; V89-K113 PolarHBondContact O-N 2.84Å; V89-R114 PolarHBondContact O-N 2.55Å; V89-R114 VanDerWaalsContact O-N 3.12Å
90	T	89.3	Confident	88.2	Confident	7 Å²	7	32.9 Å²	32.9	4%	0.043	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	135.5	178.9	-61.4	0	0	0	0	109.1	L67 H92 R114	L67-T90 PolarHBondContact N-O 2.93Å; T90-H92 WeakPolarHBondContact CG2-NE2 3.44Å; T90-R114 WeakPolarHBondContact CA-O 3.45Å; T90-R114 HydrophobicContact CG2-CB 4.06Å
91	L	92.6	Very high	88.6	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	117.7	179.4	175.9	57.3	0	0	0	109.7	L67 L69 F82 L93 F106 L109 L112 R114 L115 H116	L67-L91 HydrophobicContact CB-CD1 4.15Å; L67-L91 HydrophobicContact CD2-CD1 4.02Å; L67-L91 HydrophobicContact CG-CD1 4.05Å; L67-L91 WeakPolarHBondContact O-CA 3.29Å; L69-L91 HydrophobicContact CD1-CD1 4.31Å; F82-L91 HydrophobicContact CD1-CD2 4.36Å; F82-L91 HydrophobicContact CE1-CD1 4.18Å; F82-L91 HydrophobicContact CE1-CD2 3.73Å; F82-L91 HydrophobicContact CZ-CD2 3.9Å; L91-L93 HydrophobicContact CD1-CD1 4.33Å; L91-L93 HydrophobicContact CD1-CD2 4.38Å; L91-L93 HydrophobicContact CD1-CG 4.03Å; L91-L93 HydrophobicContact CD2-CD1 3.88Å; L91-L93 HydrophobicContact CD2-CG 4.46Å; L91-L93 HydrophobicContact CG-CD1 3.94Å; L91-L93 HydrophobicContact CG-CG 4.01Å; L91-F106 HydrophobicContact CD2-CE1 4.36Å; L91-L109 HydrophobicContact CD2-CD1 3.74Å; L91-L112 HydrophobicContact CB-CD1 3.69Å; L91-L112 HydrophobicContact CB-CD2 4.11Å; L91-R114 PolarHBondContact N-O 3.44Å; L91-L115 HydrophobicContact CB-CD1 4.18Å; L91-L115 HydrophobicContact CD2-CD1 4.07Å; L91-L115 HydrophobicContact CG-CD1 4.04Å; L91-L115 WeakPolarHBondContact O-CA 3.34Å; L91-H116 PolarHBondContact O-N 3.03Å
92	H	89.3	Confident	88.9	Confident	21 Å²	21	32.6 Å²	32.6	10%	0.097	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.9	173.3	-57.9	-104.4	0	0	0	110.4	L67 F68 L69 N70 T90 H116	L67-H92 PolarHBondContact O-N 3.02Å; F68-H92 HydrophobicContact CD1-CB 4.34Å; F68-H92 AromaticContact CD1-CD2 3.29Å; F68-H92 WeakPolarHBondContact CD1-CD2 2.96Å; F68-H92 AromaticContact CD1-CG 3.87Å; F68-H92 AromaticContact CD1-NE2 3.78Å; F68-H92 AromaticContact CE1-CD2 3.35Å; F68-H92 WeakPolarHBondContact CE1-CD2 3.17Å; F68-H92 AromaticContact CE1-NE2 3.34Å; F68-H92 VanDerWaalsContact CE1-NE2 3.34Å; F68-H92 WeakPolarHBondContact CE1-NE2 3.1Å; L69-H92 WeakPolarHBondContact CA-O 3.12Å; L69-H92 WeakPolarHBondContact CB-O 3.14Å; L69-H92 PolarHBondContact N-O 3.45Å; N70-H92 WeakPolarHBondContact ND2-CB 3.41Å; N70-H92 WeakPolarHBondContact OD1-CB 3.3Å; T90-H92 WeakPolarHBondContact CG2-NE2 3.44Å; H92-H116 HydrophobicContact CB-CB 4.42Å; H92-H116 AromaticContact CE1-CD2 3.26Å; H92-H116 PolarHBondContact CE1-CD2 3.37Å; H92-H116 AromaticContact CE1-CE1 3.76Å; H92-H116 AromaticContact CE1-CG 3.67Å; H92-H116 AromaticContact CE1-ND1 3.95Å; H92-H116 AromaticContact CE1-NE2 3.36Å; H92-H116 PolarHBondContact CE1-NE2 2.89Å; H92-H116 AromaticContact CG-CD2 3.87Å; H92-H116 AromaticContact ND1-CD2 3.3Å; H92-H116 PolarHBondContact ND1-CD2 3.34Å; H92-H116 VanDerWaalsContact ND1-CD2 3.3Å; H92-H116 AromaticContact ND1-CG 3.36Å; H92-H116 AromaticContact ND1-ND1 3.92Å; H92-H116 AromaticContact ND1-NE2 3.88Å; H92-H116 AromaticContact NE2-CD2 3.8Å; H92-H116 AromaticContact NE2-NE2 3.92Å
93	L	92	Very high	88.9	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.			trans	-128.8	24.4	-178.9	-72.3	166.7	0	0	0	110.8	L69 L74 L77 F82 L91 N96 L98 F106 L115 H116 L117 N120	L69-L93 HydrophobicContact CB-CD2 3.97Å; L69-L93 HydrophobicContact CD1-CD2 4.06Å; L74-L93 HydrophobicContact CD1-CD2 3.57Å; L77-L93 HydrophobicContact CD1-CD1 4.09Å; F82-L93 HydrophobicContact CZ-CD1 4.42Å; L91-L93 HydrophobicContact CD1-CD1 4.33Å; L91-L93 HydrophobicContact CD1-CD2 4.38Å; L91-L93 HydrophobicContact CD1-CG 4.03Å; L91-L93 HydrophobicContact CD2-CD1 3.88Å; L91-L93 HydrophobicContact CD2-CG 4.46Å; L91-L93 HydrophobicContact CG-CD1 3.94Å; L91-L93 HydrophobicContact CG-CG 4.01Å; L93-N96 PolarHBondContact O-ND2 2.69Å; L93-L98 HydrophobicContact CB-CD1 4.1Å; L93-F106 HydrophobicContact CD1-CE1 4.03Å; L93-F106 HydrophobicContact CD1-CZ 4.44Å; L93-L115 HydrophobicContact CD1-CD1 4.32Å; L93-H116 PolarHBondContact N-O 2.78Å; L93-L117 HydrophobicContact CB-CD2 3.96Å; L93-L117 HydrophobicContact CD1-CD2 4.03Å; L93-N120 PolarHBondContact O-ND2 2.72Å
94	G	89.7	Confident	88.8	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	159.7	-177.9	0	0	0	0	0	113.1	N70 G71 N96 N118	N70-G94 VanDerWaalsContact CA-O 3.31Å; N70-G94 WeakPolarHBondContact CA-O 3.41Å; N70-G94 WeakPolarHBondContact OD1-CA 3.31Å; N70-G94 PolarHBondContact OD1-N 3.01Å; G71-G94 PolarHBondContact N-O 2.9Å; G71-G94 VanDerWaalsContact N-O 3.1Å; G94-N96 PolarHBondContact O-N 2.9Å; G94-N96 PolarHBondContact O-ND2 2.75Å; G94-N118 CarbonylContact C-O 3.57Å; G94-N118 WeakPolarHBondContact CA-O 3.45Å
95	N	89.2	Confident	89.2	Confident	92 Å²	92	28.8 Å²	28.8	49%	0.492	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	25.9	178.7	-67.3	-54.4	0	0	0	114.8	N118 N119	N95-N118 PolarHBondContact N-O 3.37Å; N95-N118 VanDerWaalsContact N-O 3.11Å; N95-N119 VanDerWaalsContact CA-O 3.32Å; N95-N119 WeakPolarHBondContact CA-O 3.04Å; N95-N119 PolarHBondContact N-O 3.16Å; N95-N119 WeakPolarHBondContact OD1-CB 3.32Å; N95-N119 PolarHBondContact OD1-ND2 2.99Å; N95-N119 VanDerWaalsContact OD1-ND2 3.08Å
96	N	87.9	Confident	89.5	Confident	6 Å²	6	28.5 Å²	28.5	3%	0.032	15%	0.154	C	C	.	.	S	Bend	trans	-92.6	-12.4	-176.6	-93	-94.9	0	0	0	114.4	L69 N72 L74 L93 G94 L98 N120	L69-N96 PolarHBondContact O-ND2 3.08Å; N72-N96 WeakPolarHBondContact CA-OD1 3.48Å; N72-N96 VanDerWaalsContact CB-OD1 3.23Å; N72-N96 WeakPolarHBondContact CB-OD1 3.31Å; N72-N96 WeakPolarHBondContact O-CA 3.39Å; N72-N96 PolarHBondContact O-OD1 2.83Å; L74-N96 HydrophobicContact CB-CB 4.24Å; L74-N96 VanDerWaalsContact CB-OD1 3.23Å; L74-N96 WeakPolarHBondContact CB-OD1 3.29Å; L74-N96 WeakPolarHBondContact CD1-OD1 3.48Å; L74-N96 VanDerWaalsContact CG-OD1 3.23Å; L74-N96 WeakPolarHBondContact CG-OD1 3.39Å; L74-N96 PolarHBondContact N-OD1 3.37Å; L93-N96 PolarHBondContact O-ND2 2.69Å; G94-N96 PolarHBondContact O-N 2.9Å; G94-N96 PolarHBondContact O-ND2 2.75Å; N96-L98 VanDerWaalsContact C-N 3.29Å; N96-L98 HydrophobicContact CB-CD1 4.43Å; N96-L98 HydrophobicContact CB-CG 4.16Å; N96-L98 PolarHBondContact O-N 3.1Å; N96-N120 WeakPolarHBondContact CA-OD1 3.43Å; N96-N120 PolarHBondContact N-OD1 3.29Å; N96-N120 VanDerWaalsContact N-OD1 3.1Å
97	G	88.8	Confident	89.7	Confident	18 Å²	18	27.8 Å²	27.8	19%	0.186	15%	0.149	C	C	.	.			trans	68.9	25.2	-172.3	0	0	0	0	0	113.9	Q99 N120	G97-Q99 PolarHBondContact O-N 3.48Å; G97-N120 PolarHBondContact N-OD1 2.86Å
98	L	93.1	Very high	89.4	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.			trans	-52.7	118.4	176.7	-81	162.6	0	0	0	111.2	L74 L77 L93 N96 L117 N120 K121 L122	L74-L98 WeakPolarHBondContact O-CD2 3.46Å; L74-L98 WeakPolarHBondContact O-CG 3.43Å; L77-L98 HydrophobicContact CD1-CD2 4.17Å; L77-L98 HydrophobicContact CD2-CD2 4.28Å; L77-L98 HydrophobicContact CG-CD2 3.69Å; L93-L98 HydrophobicContact CB-CD1 4.1Å; N96-L98 VanDerWaalsContact C-N 3.29Å; N96-L98 HydrophobicContact CB-CD1 4.43Å; N96-L98 HydrophobicContact CB-CG 4.16Å; N96-L98 PolarHBondContact O-N 3.1Å; L98-L117 HydrophobicContact CD1-CD2 3.87Å; L98-N120 HydrophobicContact CB-CB 4.02Å; L98-N120 WeakPolarHBondContact CB-OD1 3.38Å; L98-N120 PolarHBondContact N-OD1 3.35Å; L98-K121 CarbonylContact O-C 3.47Å; L98-K121 WeakPolarHBondContact O-CA 3.16Å; L98-K121 WeakPolarHBondContact O-CB 3.48Å; L98-K121 PolarHBondContact O-N 3.33Å; L98-L122 HydrophobicContact CB-CD2 4.03Å; L98-L122 HydrophobicContact CB-CG 4.48Å; L98-L122 PolarHBondContact O-N 2.81Å
99	Q	91.1	Very high	89.5	Confident	92 Å²	92	26.8 Å²	26.8	43%	0.43	15%	0.147	S	C	.	.			trans	-95.2	-43.4	176.5	-64	172.4	0.1	0	0	111.9	T75 R76 G97 K121	T75-Q99 PolarHBondContact O-N 2.87Å; R76-Q99 VanDerWaalsContact NH2-OE1 3.14Å; G97-Q99 PolarHBondContact O-N 3.48Å; Q99-K121 HydrophobicContact CG-CB 4.43Å
100	E	88.4	Confident	89.4	Confident	53 Å²	53	31.2 Å²	31.2	25%	0.248	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	133.5	-177.1	178.7	171.3	-116.3	0	0	111.4	R76 L77 R102 R126	R76-E100 VanDerWaalsContact CA-O 3.3Å; R76-E100 WeakPolarHBondContact CA-O 3.48Å; L77-E100 PolarHBondContact N-O 3.18Å; L77-E100 VanDerWaalsContact N-O 3.07Å; E100-R102 HydrophobicContact CG-CG 4.25Å; E100-R102 IonicContact OE2-NE 2.59Å; E100-R102 PolarHBondContact OE2-NE 3.11Å; E100-R126 IonicContact OE1-CZ 3.4Å; E100-R126 IonicContact OE1-NH1 3.65Å; E100-R126 PolarHBondContact OE1-NH1 2.91Å; E100-R126 IonicContact OE1-NH2 2.71Å; E100-R126 PolarHBondContact OE1-NH2 3.04Å; E100-R126 VanDerWaalsContact OE1-NH2 3.15Å
101	I	93.1	Very high	89.4	Confident	8 Å²	8	33.6 Å²	33.6	4%	0.041	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.4	165.5	-57.5	173.1	0	0	0	106.7	L77 A105 F106 L117 L122 T129	L77-I101 HydrophobicContact CB-CG2 4.43Å; L77-I101 HydrophobicContact CD1-CG1 4.23Å; L77-I101 HydrophobicContact CD1-CG2 4.41Å; I101-A105 HydrophobicContact CG2-CB 3.86Å; I101-F106 HydrophobicContact CD1-CE2 4.1Å; I101-F106 HydrophobicContact CD1-CZ 4.01Å; I101-F106 HydrophobicContact CG2-CD2 4.4Å; I101-F106 HydrophobicContact CG2-CE2 3.83Å; I101-F106 HydrophobicContact CG2-CZ 4.18Å; I101-L117 HydrophobicContact CD1-CD1 4.11Å; I101-L117 HydrophobicContact CD1-CD2 4.13Å; I101-L122 HydrophobicContact CD1-CD1 3.95Å; I101-L122 HydrophobicContact CD1-CD2 4.06Å; I101-L122 HydrophobicContact CG1-CD2 3.91Å; I101-T129 HydrophobicContact CB-CG2 4.17Å; I101-T129 HydrophobicContact CD1-CG2 4.35Å; I101-T129 HydrophobicContact CG2-CG2 4.13Å
102	R	90.3	Very high	89.4	Confident	101 Å²	101	33.5 Å²	33.5	38%	0.381	18%	0.178	S	C	.	.			trans	-76.4	156.3	179	-68.2	-177.1	165.5	-165	-4.1	111.7	L77 P79 E100 G104 A105	L77-R102 VanDerWaalsContact O-CB 3.3Å; L77-R102 WeakPolarHBondContact O-CB 3.26Å; L77-R102 WeakPolarHBondContact O-CG 3.32Å; L77-R102 PolarHBondContact O-N 3.01Å; P79-R102 HydrophobicContact CG-CB 3.98Å; E100-R102 HydrophobicContact CG-CG 4.25Å; E100-R102 IonicContact OE2-NE 2.59Å; E100-R102 PolarHBondContact OE2-NE 3.11Å; R102-G104 PolarHBondContact O-N 2.81Å; R102-A105 VanDerWaalsContact O-CB 3.26Å; R102-A105 WeakPolarHBondContact O-CB 3.39Å; R102-A105 PolarHBondContact O-N 2.95Å
103	T	86.3	Confident	89.5	Confident	71 Å²	71	37 Å²	37	44%	0.436	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	130.4	-176.9	55.8	0	0	0	0	110.7	P79 A105 D128	P79-T103 WeakPolarHBondContact CB-O 3.49Å; P79-T103 WeakPolarHBondContact CG-O 3.44Å; T103-A105 VanDerWaalsContact C-N 3.29Å; T103-A105 PolarHBondContact O-N 2.89Å; T103-D128 HydrophobicContact CG2-CB 3.61Å
104	G	84.4	Confident	89.5	Confident	8 Å²	8	41.6 Å²	41.6	8%	0.082	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	23	-175.4	0	0	0	0	0	115.4	N80 R102 F106 S107 D128	N80-G104 PolarHBondContact N-O 2.86Å; R102-G104 PolarHBondContact O-N 2.81Å; G104-F106 VanDerWaalsContact C-N 3.33Å; G104-S107 WeakPolarHBondContact O-CB 3.12Å; G104-S107 PolarHBondContact O-N 2.88Å; G104-D128 PolarHBondContact N-O 3.33Å
105	A	90.1	Very high	89.8	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-45.5	171.4	0	0	0	0	0	112	L77 Y78 F82 I101 R102 T103 S107	L77-A105 HydrophobicContact CB-CB 3.85Å; Y78-A105 VanDerWaalsContact O-CA 3.32Å; Y78-A105 WeakPolarHBondContact O-CA 3.4Å; Y78-A105 WeakPolarHBondContact O-CB 3.1Å; F82-A105 WeakPolarHBondContact CD2-O 3.39Å; I101-A105 HydrophobicContact CG2-CB 3.86Å; R102-A105 VanDerWaalsContact O-CB 3.26Å; R102-A105 WeakPolarHBondContact O-CB 3.39Å; R102-A105 PolarHBondContact O-N 2.95Å; T103-A105 VanDerWaalsContact C-N 3.29Å; T103-A105 PolarHBondContact O-N 2.89Å; A105-S107 PolarHBondContact O-N 2.83Å
106	F	92.5	Very high	89.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	8.3	176.2	-58	-52.1	0	0	0	114.5	L77 F82 L91 L93 I101 G104 G108 L109 L115 L117 T129 F130 L133	L77-F106 HydrophobicContact CD1-CE1 3.75Å; L77-F106 HydrophobicContact CD1-CZ 3.9Å; F82-F106 HydrophobicContact CD2-CD1 4.03Å; F82-F106 HydrophobicContact CE2-CD1 4.09Å; F82-F106 HydrophobicContact CE2-CE1 4.14Å; L91-F106 HydrophobicContact CD2-CE1 4.36Å; L93-F106 HydrophobicContact CD1-CE1 4.03Å; L93-F106 HydrophobicContact CD1-CZ 4.44Å; I101-F106 HydrophobicContact CD1-CE2 4.1Å; I101-F106 HydrophobicContact CD1-CZ 4.01Å; I101-F106 HydrophobicContact CG2-CD2 4.4Å; I101-F106 HydrophobicContact CG2-CE2 3.83Å; I101-F106 HydrophobicContact CG2-CZ 4.18Å; G104-F106 VanDerWaalsContact C-N 3.33Å; F106-G108 PolarHBondContact O-N 2.87Å; F106-G108 VanDerWaalsContact O-N 3.16Å; F106-L109 HydrophobicContact CB-CD1 3.98Å; F106-L109 HydrophobicContact CD1-CD1 3.67Å; F106-L109 HydrophobicContact CG-CD1 4.22Å; F106-L109 WeakPolarHBondContact O-CB 3.38Å; F106-L109 PolarHBondContact O-N 2.84Å; F106-L109 VanDerWaalsContact O-N 3.11Å; F106-L115 HydrophobicContact CE2-CD2 4.1Å; F106-L115 HydrophobicContact CZ-CD2 4.08Å; F106-L117 HydrophobicContact CZ-CD2 4.48Å; F106-T129 WeakPolarHBondContact CD2-O 3.35Å; F106-F130 HydrophobicContact CD2-CD1 4.4Å; F106-F130 HydrophobicContact CE2-CD1 4.17Å; F106-F130 HydrophobicContact CE2-CE1 4.45Å; F106-L133 HydrophobicContact CB-CD1 4.15Å; F106-L133 HydrophobicContact CB-CD2 3.99Å; F106-L133 HydrophobicContact CB-CG 3.91Å; F106-L133 HydrophobicContact CD2-CD1 3.84Å; F106-L133 HydrophobicContact CD2-CG 4.5Å; F106-L133 HydrophobicContact CE2-CD1 4.47Å; F106-L133 HydrophobicContact CG-CD1 4.07Å; F106-L133 HydrophobicContact CG-CD2 4.49Å; F106-L133 HydrophobicContact CG-CG 4.38Å
107	S	88.6	Confident	90.2	Very high	37 Å²	37	37.1 Å²	37.1	26%	0.259	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	118.5	172.2	177.4	0	0	0	0	109.9	N80 F82 V83 G104 A105	N80-S107 WeakPolarHBondContact OD1-CB 3.44Å; N80-S107 PolarHBondContact OD1-OG 3.1Å; F82-S107 CarbonylContact C-O 3.41Å; V83-S107 VanDerWaalsContact CA-O 3.31Å; V83-S107 WeakPolarHBondContact CA-O 2.95Å; V83-S107 WeakPolarHBondContact CG2-O 3.01Å; V83-S107 PolarHBondContact N-O 3.41Å; V83-S107 VanDerWaalsContact N-O 3.11Å; G104-S107 WeakPolarHBondContact O-CB 3.12Å; G104-S107 PolarHBondContact O-N 2.88Å; A105-S107 PolarHBondContact O-N 2.83Å
108	G	82.9	Confident	90.3	Very high	16 Å²	16	36.7 Å²	36.7	17%	0.165	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	120.2	-33.9	-174.2	0	0	0	0	0	114	S86 F106 K110	S86-G108 WeakPolarHBondContact CA-O 3.21Å; F106-G108 PolarHBondContact O-N 2.87Å; F106-G108 VanDerWaalsContact O-N 3.16Å; G108-K110 PolarHBondContact O-N 3.2Å
109	L	90.1	Very high	90.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.			trans	-75.3	45.6	-169.8	-65.3	179.8	0	0	0	115.2	F82 Y85 A88 L91 F106 T111 L112 L133	F82-L109 HydrophobicContact CB-CD1 3.9Å; F82-L109 HydrophobicContact CB-CD2 3.94Å; F82-L109 HydrophobicContact CB-CG 3.67Å; F82-L109 HydrophobicContact CD1-CD1 3.97Å; F82-L109 HydrophobicContact CD1-CD2 4.01Å; F82-L109 HydrophobicContact CD1-CG 4.31Å; F82-L109 HydrophobicContact CD2-CD1 4.36Å; F82-L109 HydrophobicContact CG-CD1 3.83Å; F82-L109 HydrophobicContact CG-CD2 4.28Å; F82-L109 HydrophobicContact CG-CG 4.13Å; Y85-L109 VanDerWaalsContact CB-CD2 3.49Å; Y85-L109 WeakPolarHBondContact O-CD2 3.39Å; A88-L109 HydrophobicContact CB-CD2 3.95Å; L91-L109 HydrophobicContact CD2-CD1 3.74Å; F106-L109 HydrophobicContact CB-CD1 3.98Å; F106-L109 HydrophobicContact CD1-CD1 3.67Å; F106-L109 HydrophobicContact CG-CD1 4.22Å; F106-L109 WeakPolarHBondContact O-CB 3.38Å; F106-L109 PolarHBondContact O-N 2.84Å; F106-L109 VanDerWaalsContact O-N 3.11Å; L109-T111 VanDerWaalsContact C-N 3.3Å; L109-T111 PolarHBondContact O-N 2.83Å; L109-L112 HydrophobicContact CB-CB 4.14Å; L109-L112 HydrophobicContact CD1-CD2 4.27Å; L109-L112 WeakPolarHBondContact O-CB 3.08Å; L109-L112 PolarHBondContact O-N 2.9Å; L109-L112 VanDerWaalsContact O-N 3.12Å; L109-L133 HydrophobicContact CB-CD2 3.55Å; L109-L133 HydrophobicContact CD1-CD2 4.1Å; L109-L133 HydrophobicContact CG-CD2 4.47Å
110	K	86.9	Confident	90.2	Very high	124 Å²	124	35.6 Å²	35.6	54%	0.539	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-25	-171	-63.8	-168.7	176.3	-164.1	0	115.1	G108 S135	G108-K110 PolarHBondContact O-N 3.2Å; K110-S135 WeakPolarHBondContact O-CB 3.46Å; K110-S135 PolarHBondContact O-OG 3.1Å
111	T	89.9	Confident	90.4	Very high	57 Å²	57	37.9 Å²	37.9	35%	0.35	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-4.5	177.4	56.5	0	0	0	0	114.1	S86 N87 A88 L109 K113	S86-T111 WeakPolarHBondContact O-CG2 3.12Å; S86-T111 PolarHBondContact O-OG1 3.18Å; N87-T111 VanDerWaalsContact C-OG1 3.24Å; N87-T111 WeakPolarHBondContact CA-OG1 3.45Å; A88-T111 PolarHBondContact N-OG1 3.24Å; A88-T111 CarbonylContact O-C 3.55Å; A88-T111 VanDerWaalsContact O-C 3.27Å; A88-T111 PolarHBondContact O-OG1 3.12Å; L109-T111 VanDerWaalsContact C-N 3.3Å; L109-T111 PolarHBondContact O-N 2.83Å; T111-K113 PolarHBondContact O-N 2.95Å
112	L	93.9	Very high	90.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.185	C	C	.	.			trans	-66	127	-172.4	-162.1	81.4	0	0	0	110.8	A88 L91 L109 L115 L133 S135 L136	A88-L112 HydrophobicContact CB-CD1 4Å; A88-L112 VanDerWaalsContact O-CA 3.27Å; A88-L112 WeakPolarHBondContact O-CA 3.44Å; A88-L112 PolarHBondContact O-N 3.45Å; A88-L112 VanDerWaalsContact O-N 3.15Å; L91-L112 HydrophobicContact CB-CD1 3.69Å; L91-L112 HydrophobicContact CB-CD2 4.11Å; L109-L112 HydrophobicContact CB-CB 4.14Å; L109-L112 HydrophobicContact CD1-CD2 4.27Å; L109-L112 WeakPolarHBondContact O-CB 3.08Å; L109-L112 PolarHBondContact O-N 2.9Å; L109-L112 VanDerWaalsContact O-N 3.12Å; L112-L115 HydrophobicContact CD2-CB 4.01Å; L112-L115 HydrophobicContact CD2-CD1 4.41Å; L112-L133 HydrophobicContact CB-CD2 4.03Å; L112-L133 HydrophobicContact CD2-CD2 3.63Å; L112-L133 HydrophobicContact CG-CD2 4.46Å; L112-S135 CarbonylContact O-C 3.49Å; L112-L136 HydrophobicContact CD2-CD1 4.01Å; L112-L136 HydrophobicContact CG-CD1 4.3Å; L112-L136 VanDerWaalsContact O-CA 3.28Å; L112-L136 WeakPolarHBondContact O-CA 3.05Å; L112-L136 PolarHBondContact O-N 2.8Å; L112-L136 VanDerWaalsContact O-N 3.1Å
113	K	91.3	Very high	90.6	Very high	93 Å²	93	39 Å²	39	40%	0.404	20%	0.195	S	C	.	.			trans	-106.1	-34.9	179	-68.6	-174.4	170	-127.3	0	113	V89 T111 E137 Y138	V89-K113 HydrophobicContact CG1-CB 4.23Å; V89-K113 HydrophobicContact CG1-CD 4.11Å; V89-K113 HydrophobicContact CG1-CG 4.26Å; V89-K113 PolarHBondContact O-N 2.84Å; T111-K113 PolarHBondContact O-N 2.95Å; K113-E137 HydrophobicContact CB-CG 4.48Å; K113-E137 WeakPolarHBondContact CD-OE1 3.32Å; K113-E137 WeakPolarHBondContact CE-OE1 3.44Å; K113-E137 HydrophobicContact CG-CG 4.48Å; K113-E137 IonicContact NZ-OE1 3.17Å; K113-E137 PolarHBondContact NZ-OE1 3.43Å; K113-E137 PolarHBondContact O-N 2.94Å; K113-Y138 PolarHBondContact O-N 3.33Å
114	R	91.1	Very high	90.9	Very high	97 Å²	97	39 Å²	39	37%	0.366	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.6	-179.2	-54.6	-168	-177.3	-166.3	1.7	111	V89 T90 L91 Y138	V89-R114 PolarHBondContact O-N 2.55Å; V89-R114 VanDerWaalsContact O-N 3.12Å; T90-R114 WeakPolarHBondContact CA-O 3.45Å; T90-R114 HydrophobicContact CG2-CB 4.06Å; L91-R114 PolarHBondContact N-O 3.44Å; R114-Y138 HydrophobicContact CB-CD1 4.45Å
115	L	95.4	Very high	91.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.4	175.7	177.5	57.2	0	0	0	110.1	L91 L93 F106 L112 L117 F130 L133 L136 Y138 L139 Q140	L91-L115 HydrophobicContact CB-CD1 4.18Å; L91-L115 HydrophobicContact CD2-CD1 4.07Å; L91-L115 HydrophobicContact CG-CD1 4.04Å; L91-L115 WeakPolarHBondContact O-CA 3.34Å; L93-L115 HydrophobicContact CD1-CD1 4.32Å; F106-L115 HydrophobicContact CE2-CD2 4.1Å; F106-L115 HydrophobicContact CZ-CD2 4.08Å; L112-L115 HydrophobicContact CD2-CB 4.01Å; L112-L115 HydrophobicContact CD2-CD1 4.41Å; L115-L117 HydrophobicContact CD1-CD2 4.46Å; L115-L117 HydrophobicContact CD1-CG 4.22Å; L115-L117 HydrophobicContact CD2-CD1 4.05Å; L115-L117 HydrophobicContact CD2-CG 4.5Å; L115-L117 HydrophobicContact CG-CD1 4.16Å; L115-L117 HydrophobicContact CG-CG 4.12Å; L115-F130 HydrophobicContact CD2-CD1 4.23Å; L115-F130 HydrophobicContact CD2-CE1 4.22Å; L115-L133 HydrophobicContact CD2-CD1 3.6Å; L115-L136 HydrophobicContact CB-CD1 3.74Å; L115-L136 HydrophobicContact CB-CD2 4.38Å; L115-Y138 PolarHBondContact N-O 3.47Å; L115-Y138 VanDerWaalsContact N-O 3.07Å; L115-L139 HydrophobicContact CB-CD1 4.11Å; L115-L139 HydrophobicContact CD2-CD1 3.99Å; L115-L139 HydrophobicContact CG-CD1 4.02Å; L115-Q140 PolarHBondContact O-N 3.43Å
116	H	91.3	Very high	91.4	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.019	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.3	179.7	-52.9	-105.7	0	0	0	109.5	L91 H92 L93 Y138 Q140	L91-H116 PolarHBondContact O-N 3.03Å; H92-H116 HydrophobicContact CB-CB 4.42Å; H92-H116 AromaticContact CE1-CD2 3.26Å; H92-H116 PolarHBondContact CE1-CD2 3.37Å; H92-H116 AromaticContact CE1-CE1 3.76Å; H92-H116 AromaticContact CE1-CG 3.67Å; H92-H116 AromaticContact CE1-ND1 3.95Å; H92-H116 AromaticContact CE1-NE2 3.36Å; H92-H116 PolarHBondContact CE1-NE2 2.89Å; H92-H116 AromaticContact CG-CD2 3.87Å; H92-H116 AromaticContact ND1-CD2 3.3Å; H92-H116 PolarHBondContact ND1-CD2 3.34Å; H92-H116 VanDerWaalsContact ND1-CD2 3.3Å; H92-H116 AromaticContact ND1-CG 3.36Å; H92-H116 AromaticContact ND1-ND1 3.92Å; H92-H116 AromaticContact ND1-NE2 3.88Å; H92-H116 AromaticContact NE2-CD2 3.8Å; H92-H116 AromaticContact NE2-NE2 3.92Å; L93-H116 PolarHBondContact N-O 2.78Å; H116-Y138 AromaticContact CE1-CD1 3.94Å; H116-Y138 AromaticContact CE1-CE1 3.3Å; H116-Y138 WeakPolarHBondContact CE1-CE1 3.18Å; H116-Y138 AromaticContact ND1-CE1 3.66Å; H116-Y138 AromaticContact NE2-CE1 3.97Å; H116-Q140 PolarHBondContact ND1-OE1 2.96Å
117	L	94.3	Very high	91.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.222	C	C	.	.			trans	-121.4	18	-178.5	-69.8	167.2	0	0	0	111.8	L93 L98 I101 F106 L115 N120 L122 F130 L139 Q140 A141 N144	L93-L117 HydrophobicContact CB-CD2 3.96Å; L93-L117 HydrophobicContact CD1-CD2 4.03Å; L98-L117 HydrophobicContact CD1-CD2 3.87Å; I101-L117 HydrophobicContact CD1-CD1 4.11Å; I101-L117 HydrophobicContact CD1-CD2 4.13Å; F106-L117 HydrophobicContact CZ-CD2 4.48Å; L115-L117 HydrophobicContact CD1-CD2 4.46Å; L115-L117 HydrophobicContact CD1-CG 4.22Å; L115-L117 HydrophobicContact CD2-CD1 4.05Å; L115-L117 HydrophobicContact CD2-CG 4.5Å; L115-L117 HydrophobicContact CG-CD1 4.16Å; L115-L117 HydrophobicContact CG-CG 4.12Å; L117-N120 PolarHBondContact O-ND2 2.7Å; L117-L122 HydrophobicContact CB-CD1 4.48Å; L117-L122 HydrophobicContact CD1-CD1 4.48Å; L117-F130 HydrophobicContact CD1-CE1 3.95Å; L117-L139 HydrophobicContact CD1-CD1 4.36Å; L117-Q140 PolarHBondContact N-O 3.11Å; L117-A141 HydrophobicContact CB-CB 4.23Å; L117-N144 PolarHBondContact O-ND2 3.29Å
118	N	90.8	Very high	91.3	Very high	9 Å²	9	48.2 Å²	48.2	5%	0.048	23%	0.227	C	C	.	.			trans	-61.2	153.5	-175.6	64.9	-67.9	0	0	0	113.5	G94 N95 N120 Q140 D142	G94-N118 CarbonylContact C-O 3.57Å; G94-N118 WeakPolarHBondContact CA-O 3.45Å; N95-N118 PolarHBondContact N-O 3.37Å; N95-N118 VanDerWaalsContact N-O 3.11Å; N118-N120 PolarHBondContact O-N 2.8Å; N118-N120 PolarHBondContact O-ND2 2.05Å; N118-Q140 HydrophobicContact CB-CG 4.3Å; N118-D142 VanDerWaalsContact CA-O 3.31Å; N118-D142 WeakPolarHBondContact CA-O 3.44Å; N118-D142 WeakPolarHBondContact CB-OD1 3.34Å
119	N	89	Confident	91.6	Very high	63 Å²	63	47.7 Å²	47.7	34%	0.337	22%	0.221	S	C	.	.	S	Bend	trans	55.4	51	176.5	-57.9	33.7	0	0	0	112.8	N95 D142 Y143	N95-N119 VanDerWaalsContact CA-O 3.32Å; N95-N119 WeakPolarHBondContact CA-O 3.04Å; N95-N119 PolarHBondContact N-O 3.16Å; N95-N119 WeakPolarHBondContact OD1-CB 3.32Å; N95-N119 PolarHBondContact OD1-ND2 2.99Å; N95-N119 VanDerWaalsContact OD1-ND2 3.08Å; N119-D142 PolarHBondContact N-O 3.39Å; N119-Y143 CarbonylContact C-O 3.55Å; N119-Y143 WeakPolarHBondContact CA-O 3.35Å; N119-Y143 PolarHBondContact N-O 3.44Å
120	N	93.1	Very high	91.8	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.032	22%	0.221	C	C	.	.			trans	-123.9	-167.6	179	-83.2	-62.3	0	0	0	110.7	L93 N96 G97 L98 L117 N118 L122 Y143 N144	L93-N120 PolarHBondContact O-ND2 2.72Å; N96-N120 WeakPolarHBondContact CA-OD1 3.43Å; N96-N120 PolarHBondContact N-OD1 3.29Å; N96-N120 VanDerWaalsContact N-OD1 3.1Å; G97-N120 PolarHBondContact N-OD1 2.86Å; L98-N120 HydrophobicContact CB-CB 4.02Å; L98-N120 WeakPolarHBondContact CB-OD1 3.38Å; L98-N120 PolarHBondContact N-OD1 3.35Å; L117-N120 PolarHBondContact O-ND2 2.7Å; N118-N120 PolarHBondContact O-N 2.8Å; N118-N120 PolarHBondContact O-ND2 2.05Å; N120-L122 HydrophobicContact CB-CG 4.47Å; N120-Y143 PolarHBondContact N-O 3.26Å; N120-N144 WeakPolarHBondContact CA-OD1 3.38Å; N120-N144 WeakPolarHBondContact CB-OD1 3.17Å; N120-N144 PolarHBondContact N-ND2 3.22Å; N120-N144 PolarHBondContact O-OD1 2.69Å
121	K	94	Very high	91.9	Very high	101 Å²	101	45.2 Å²	45.2	44%	0.439	21%	0.213	S	C	.	.			trans	-124.8	30.4	-172.8	-57.7	-173.6	178.1	-178.3	0	111.7	L98 Q99 N144 Y145	L98-K121 CarbonylContact O-C 3.47Å; L98-K121 WeakPolarHBondContact O-CA 3.16Å; L98-K121 WeakPolarHBondContact O-CB 3.48Å; L98-K121 PolarHBondContact O-N 3.33Å; Q99-K121 HydrophobicContact CG-CB 4.43Å; K121-N144 PolarHBondContact N-OD1 3.34Å; K121-Y145 HydrophobicContact CB-CD2 4.14Å; K121-Y145 HydrophobicContact CB-CE2 4.15Å; K121-Y145 HydrophobicContact CG-CD2 4.46Å; K121-Y145 HydrophobicContact CG-CE2 3.97Å
122	L	94.3	Very high	91.8	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.026	20%	0.203	C	C	.	.			trans	-72.8	128.4	-179	-59.2	174.3	0	0	0	110.1	L98 I101 L117 N120 N144 Y145 I146	L98-L122 HydrophobicContact CB-CD2 4.03Å; L98-L122 HydrophobicContact CB-CG 4.48Å; L98-L122 PolarHBondContact O-N 2.81Å; I101-L122 HydrophobicContact CD1-CD1 3.95Å; I101-L122 HydrophobicContact CD1-CD2 4.06Å; I101-L122 HydrophobicContact CG1-CD2 3.91Å; L117-L122 HydrophobicContact CB-CD1 4.48Å; L117-L122 HydrophobicContact CD1-CD1 4.48Å; N120-L122 HydrophobicContact CB-CG 4.47Å; L122-N144 WeakPolarHBondContact CB-OD1 3.31Å; L122-N144 WeakPolarHBondContact CG-OD1 3.06Å; L122-N144 PolarHBondContact N-OD1 3.01Å; L122-N144 VanDerWaalsContact N-OD1 3.1Å; L122-Y145 CarbonylContact O-C 3.51Å; L122-Y145 WeakPolarHBondContact O-CA 3.1Å; L122-Y145 PolarHBondContact O-N 3.06Å; L122-I146 HydrophobicContact CB-CG1 4.18Å; L122-I146 WeakPolarHBondContact O-CG1 3.47Å; L122-I146 PolarHBondContact O-N 3.05Å
123	E	92.6	Very high	91.7	Very high	127 Å²	127	43.1 Å²	43.1	59%	0.593	20%	0.203	S	C	*	.			trans	-99.9	-28.2	-177	-65.3	-179.3	-176.4	0	0	114.2	I146 S147	E123-I146 WeakPolarHBondContact O-CA 3.16Å; E123-S147 PolarHBondContact O-N 3Å; E123-S147 PolarHBondContact O-OG 3.07Å
124	I	92.2	Very high	91.6	Very high	73 Å²	73	43.9 Å²	43.9	37%	0.374	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	135.4	-174	-55.7	178.7	0	0	0	109.8	R126 A148	I124-R126 HydrophobicContact CG2-CG 4.15Å; I124-A148 WeakPolarHBondContact CA-O 3.05Å; I124-A148 HydrophobicContact CG2-CB 4.5Å
125	L	93.8	Very high	91.7	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.8	167.7	-60.4	-178.9	0	0	0	110.2	T129 F130 I146 A148 I149 E150 A153 F154 L165	L125-T129 HydrophobicContact CD2-CG2 4.4Å; L125-F130 HydrophobicContact CB-CE2 4.43Å; L125-F130 HydrophobicContact CD1-CE2 4.07Å; L125-F130 HydrophobicContact CD1-CZ 4.2Å; L125-F130 HydrophobicContact CD2-CE2 4.09Å; L125-F130 HydrophobicContact CD2-CZ 3.88Å; L125-F130 HydrophobicContact CG-CE2 4.43Å; L125-I146 HydrophobicContact CD1-CD1 4Å; L125-I146 HydrophobicContact CD1-CG2 4.42Å; L125-I146 HydrophobicContact CD2-CD1 4.19Å; L125-I146 HydrophobicContact CG-CD1 4.03Å; L125-I146 HydrophobicContact CG-CG1 4.49Å; L125-I146 HydrophobicContact CG-CG2 4Å; L125-A148 PolarHBondContact N-O 2.74Å; L125-A148 VanDerWaalsContact N-O 3.09Å; L125-I149 HydrophobicContact CB-CG1 4.26Å; L125-I149 HydrophobicContact CB-CG2 4.36Å; L125-I149 HydrophobicContact CD1-CD1 4.38Å; L125-I149 HydrophobicContact CD1-CG1 4.24Å; L125-I149 WeakPolarHBondContact O-CA 3.48Å; L125-E150 PolarHBondContact O-N 3.02Å; L125-A153 HydrophobicContact CB-CB 4.5Å; L125-F154 HydrophobicContact CD1-CE1 4.26Å; L125-F154 HydrophobicContact CD1-CZ 4.24Å; L125-L165 HydrophobicContact CD1-CD2 4.4Å
126	R	92.3	Very high	91.7	Very high	84 Å²	84	40.3 Å²	40.3	32%	0.317	20%	0.198	S	C	.	.			trans	-95.9	162.6	-176	-55.3	-176.1	-174.6	124.1	-5.8	111.9	E100 I124 D128 T129 E150	E100-R126 IonicContact OE1-CZ 3.4Å; E100-R126 IonicContact OE1-NH1 3.65Å; E100-R126 PolarHBondContact OE1-NH1 2.91Å; E100-R126 IonicContact OE1-NH2 2.71Å; E100-R126 PolarHBondContact OE1-NH2 3.04Å; E100-R126 VanDerWaalsContact OE1-NH2 3.15Å; I124-R126 HydrophobicContact CG2-CG 4.15Å; R126-D128 VanDerWaalsContact C-N 3.31Å; R126-D128 PolarHBondContact O-N 2.96Å; R126-T129 PolarHBondContact N-OG1 3.09Å; R126-T129 VanDerWaalsContact O-CB 3.32Å; R126-T129 WeakPolarHBondContact O-CB 3.48Å; R126-T129 PolarHBondContact O-N 3.24Å; R126-T129 VanDerWaalsContact O-N 3.09Å; R126-T129 PolarHBondContact O-OG1 2.86Å; R126-E150 WeakPolarHBondContact CA-OE2 3.49Å; R126-E150 WeakPolarHBondContact CB-OE2 3.21Å
127	E	89.6	Confident	91.8	Very high	82 Å²	82	42.3 Å²	42.3	38%	0.383	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-45	-179.2	176.3	155.1	-177	0	0	112.7	E150 K156	E127-E150 PolarHBondContact N-OE2 2.78Å; E127-K156 IonicContact OE1-NZ 2.78Å
128	D	88.1	Confident	91.7	Very high	69 Å²	69	43.8 Å²	43.8	37%	0.369	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	7.4	-178.9	-64.6	-49.7	0	0	0	114.5	T103 G104 R126 F130 L131	T103-D128 HydrophobicContact CG2-CB 3.61Å; G104-D128 PolarHBondContact N-O 3.33Å; R126-D128 VanDerWaalsContact C-N 3.31Å; R126-D128 PolarHBondContact O-N 2.96Å; D128-F130 PolarHBondContact O-N 3.13Å; D128-L131 HydrophobicContact CB-CD2 4.5Å; D128-L131 WeakPolarHBondContact O-CB 3.4Å; D128-L131 PolarHBondContact O-N 3.36Å
129	T	90.3	Very high	92	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.031	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-41.4	-178.7	-70.1	0	0	0	0	111.9	I101 F106 L125 R126	I101-T129 HydrophobicContact CB-CG2 4.17Å; I101-T129 HydrophobicContact CD1-CG2 4.35Å; I101-T129 HydrophobicContact CG2-CG2 4.13Å; F106-T129 WeakPolarHBondContact CD2-O 3.35Å; L125-T129 HydrophobicContact CD2-CG2 4.4Å; R126-T129 PolarHBondContact N-OG1 3.09Å; R126-T129 VanDerWaalsContact O-CB 3.32Å; R126-T129 WeakPolarHBondContact O-CB 3.48Å; R126-T129 PolarHBondContact O-N 3.24Å; R126-T129 VanDerWaalsContact O-N 3.09Å; R126-T129 PolarHBondContact O-OG1 2.86Å
130	F	92.8	Very high	92.2	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.009	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	19.4	-177.7	-57.2	-72.4	0	0	0	113.4	F106 L115 L117 L125 D128 G132 L133 L139 A153 F154 L157	F106-F130 HydrophobicContact CD2-CD1 4.4Å; F106-F130 HydrophobicContact CE2-CD1 4.17Å; F106-F130 HydrophobicContact CE2-CE1 4.45Å; L115-F130 HydrophobicContact CD2-CD1 4.23Å; L115-F130 HydrophobicContact CD2-CE1 4.22Å; L117-F130 HydrophobicContact CD1-CE1 3.95Å; L125-F130 HydrophobicContact CB-CE2 4.43Å; L125-F130 HydrophobicContact CD1-CE2 4.07Å; L125-F130 HydrophobicContact CD1-CZ 4.2Å; L125-F130 HydrophobicContact CD2-CE2 4.09Å; L125-F130 HydrophobicContact CD2-CZ 3.88Å; L125-F130 HydrophobicContact CG-CE2 4.43Å; D128-F130 PolarHBondContact O-N 3.13Å; F130-G132 PolarHBondContact O-N 2.87Å; F130-L133 HydrophobicContact CB-CD1 4.14Å; F130-L133 HydrophobicContact CD1-CD1 3.95Å; F130-L133 WeakPolarHBondContact O-CB 3.42Å; F130-L133 PolarHBondContact O-N 2.02Å; F130-L139 HydrophobicContact CD1-CD2 4.48Å; F130-L139 HydrophobicContact CE1-CD1 3.97Å; F130-L139 HydrophobicContact CE1-CD2 3.98Å; F130-L139 HydrophobicContact CE2-CD2 4.24Å; F130-L139 HydrophobicContact CZ-CD1 4.4Å; F130-L139 HydrophobicContact CZ-CD2 3.84Å; F130-A153 WeakPolarHBondContact CD2-O 3.09Å; F130-F154 HydrophobicContact CD2-CD1 4.26Å; F130-F154 HydrophobicContact CD2-CE1 4.33Å; F130-F154 HydrophobicContact CE2-CD1 4.26Å; F130-F154 AromaticContact CE2-CE1 3.86Å; F130-F154 HydrophobicContact CE2-CE1 3.86Å; F130-L157 HydrophobicContact CB-CD1 4.13Å; F130-L157 HydrophobicContact CB-CD2 4.02Å; F130-L157 HydrophobicContact CB-CG 4.4Å; F130-L157 HydrophobicContact CD2-CD1 4.41Å; F130-L157 HydrophobicContact CG-CD1 4.26Å
131	L	90.3	Very high	92.3	Very high	70 Å²	70	40.2 Å²	40.2	37%	0.366	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	120.2	-178.8	-174.4	65.4	0	0	0	111.1	D128 K156	D128-L131 HydrophobicContact CB-CD2 4.5Å; D128-L131 WeakPolarHBondContact O-CB 3.4Å; D128-L131 PolarHBondContact O-N 3.36Å; L131-K156 HydrophobicContact CD1-CG 4.41Å
132	G	86.5	Confident	92	Very high	14 Å²	14	35.8 Å²	35.8	14%	0.144	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.9	-14.3	-177	0	0	0	0	0	114.9	F130 E134	F130-G132 PolarHBondContact O-N 2.87Å; G132-E134 VanDerWaalsContact C-N 3.29Å; G132-E134 PolarHBondContact O-N 3.48Å; G132-E134 VanDerWaalsContact O-N 3.11Å
133	L	92.7	Very high	91.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.			trans	-88.1	47.2	-174.4	-62.5	-179.9	0	0	0	114.1	F106 L109 L112 L115 F130 S135 L136 L157	F106-L133 HydrophobicContact CB-CD1 4.15Å; F106-L133 HydrophobicContact CB-CD2 3.99Å; F106-L133 HydrophobicContact CB-CG 3.91Å; F106-L133 HydrophobicContact CD2-CD1 3.84Å; F106-L133 HydrophobicContact CD2-CG 4.5Å; F106-L133 HydrophobicContact CE2-CD1 4.47Å; F106-L133 HydrophobicContact CG-CD1 4.07Å; F106-L133 HydrophobicContact CG-CD2 4.49Å; F106-L133 HydrophobicContact CG-CG 4.38Å; L109-L133 HydrophobicContact CB-CD2 3.55Å; L109-L133 HydrophobicContact CD1-CD2 4.1Å; L109-L133 HydrophobicContact CG-CD2 4.47Å; L112-L133 HydrophobicContact CB-CD2 4.03Å; L112-L133 HydrophobicContact CD2-CD2 3.63Å; L112-L133 HydrophobicContact CG-CD2 4.46Å; L115-L133 HydrophobicContact CD2-CD1 3.6Å; F130-L133 HydrophobicContact CB-CD1 4.14Å; F130-L133 HydrophobicContact CD1-CD1 3.95Å; F130-L133 WeakPolarHBondContact O-CB 3.42Å; F130-L133 PolarHBondContact O-N 2.02Å; L133-S135 PolarHBondContact O-N 2.98Å; L133-L136 HydrophobicContact CB-CB 4.27Å; L133-L136 HydrophobicContact CD1-CD2 4.34Å; L133-L136 WeakPolarHBondContact O-CB 3.45Å; L133-L136 PolarHBondContact O-N 3.39Å; L133-L157 HydrophobicContact CB-CD2 3.72Å; L133-L157 WeakPolarHBondContact O-CD2 3.35Å
134	E	89.3	Confident	91.7	Very high	108 Å²	108	33.2 Å²	33.2	51%	0.505	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-16.5	-174	-64.4	170	-146.4	0	0	114.8	G132 K159	G132-E134 VanDerWaalsContact C-N 3.29Å; G132-E134 PolarHBondContact O-N 3.48Å; G132-E134 VanDerWaalsContact O-N 3.11Å; E134-K159 WeakPolarHBondContact O-CE 3.34Å
135	S	93.3	Very high	91.8	Very high	23 Å²	23	35.8 Å²	35.8	16%	0.161	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	4	179.9	-65.2	0	0	0	0	115.4	K110 L112 L133 E137 K159	K110-S135 WeakPolarHBondContact O-CB 3.46Å; K110-S135 PolarHBondContact O-OG 3.1Å; L112-S135 CarbonylContact O-C 3.49Å; L133-S135 PolarHBondContact O-N 2.98Å; S135-E137 PolarHBondContact O-N 2.86Å; S135-K159 PolarHBondContact OG-NZ 3.31Å
136	L	95.8	Very high	91.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.166	C	C	.	.			trans	-65.4	127.5	-171.8	-160.1	73.3	0	0	0	111.7	L112 L115 L133 L139 L157 K159 L160	L112-L136 HydrophobicContact CD2-CD1 4.01Å; L112-L136 HydrophobicContact CG-CD1 4.3Å; L112-L136 VanDerWaalsContact O-CA 3.28Å; L112-L136 WeakPolarHBondContact O-CA 3.05Å; L112-L136 PolarHBondContact O-N 2.8Å; L112-L136 VanDerWaalsContact O-N 3.1Å; L115-L136 HydrophobicContact CB-CD1 3.74Å; L115-L136 HydrophobicContact CB-CD2 4.38Å; L133-L136 HydrophobicContact CB-CB 4.27Å; L133-L136 HydrophobicContact CD1-CD2 4.34Å; L133-L136 WeakPolarHBondContact O-CB 3.45Å; L133-L136 PolarHBondContact O-N 3.39Å; L136-L139 HydrophobicContact CD2-CB 3.94Å; L136-L139 HydrophobicContact CD2-CD1 4.34Å; L136-L139 HydrophobicContact CD2-CD2 4.47Å; L136-L139 HydrophobicContact CD2-CG 4.48Å; L136-L157 HydrophobicContact CB-CD2 4.26Å; L136-L157 HydrophobicContact CD2-CD1 4.27Å; L136-L157 HydrophobicContact CD2-CD2 4.26Å; L136-K159 CarbonylContact O-C 3.05Å; L136-L160 HydrophobicContact CD2-CD1 4.38Å; L136-L160 HydrophobicContact CG-CD1 4.49Å; L136-L160 WeakPolarHBondContact O-CA 3Å; L136-L160 PolarHBondContact O-N 2.85Å
137	E	93.3	Very high	91.9	Very high	46 Å²	46	33.9 Å²	33.9	22%	0.215	17%	0.167	C	C	.	.			trans	-108.7	-24.9	178.9	-59.3	-168.7	-131.4	0	0	112.3	K113 S135 K159 K161 V162	K113-E137 HydrophobicContact CB-CG 4.48Å; K113-E137 WeakPolarHBondContact CD-OE1 3.32Å; K113-E137 WeakPolarHBondContact CE-OE1 3.44Å; K113-E137 HydrophobicContact CG-CG 4.48Å; K113-E137 IonicContact NZ-OE1 3.17Å; K113-E137 PolarHBondContact NZ-OE1 3.43Å; K113-E137 PolarHBondContact O-N 2.94Å; S135-E137 PolarHBondContact O-N 2.86Å; E137-K159 HydrophobicContact CG-CB 4.4Å; E137-K161 PolarHBondContact O-N 3.29Å; E137-K161 WeakPolarHBondContact OE2-CE 3.43Å; E137-K161 IonicContact OE2-NZ 3.08Å; E137-K161 PolarHBondContact OE2-NZ 3.26Å; E137-V162 PolarHBondContact O-N 2.88Å
138	Y	92.9	Very high	92	Very high	30 Å²	30	32 Å²	32	12%	0.118	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	128.6	-176.9	-179.5	-77.9	0	0	0	110.7	K113 R114 L115 H116 Q140 V162 I164	K113-Y138 PolarHBondContact O-N 3.33Å; R114-Y138 HydrophobicContact CB-CD1 4.45Å; L115-Y138 PolarHBondContact N-O 3.47Å; L115-Y138 VanDerWaalsContact N-O 3.07Å; H116-Y138 AromaticContact CE1-CD1 3.94Å; H116-Y138 AromaticContact CE1-CE1 3.3Å; H116-Y138 WeakPolarHBondContact CE1-CE1 3.18Å; H116-Y138 AromaticContact ND1-CE1 3.66Å; H116-Y138 AromaticContact NE2-CE1 3.97Å; Y138-Q140 HydrophobicContact CD1-CB 4.43Å; Y138-Q140 HydrophobicContact CE1-CB 3.58Å; Y138-Q140 PolarHBondContact OH-OE1 3.17Å; Y138-V162 HydrophobicContact CD2-CB 3.62Å; Y138-V162 HydrophobicContact CD2-CG1 3.59Å; Y138-V162 HydrophobicContact CD2-CG2 4.16Å; Y138-V162 HydrophobicContact CE2-CB 4.23Å; Y138-V162 HydrophobicContact CE2-CG1 3.65Å; Y138-V162 HydrophobicContact CG-CB 4.31Å; Y138-V162 HydrophobicContact CG-CG1 4.48Å; Y138-I164 HydrophobicContact CE2-CD1 4.14Å; Y138-I164 WeakPolarHBondContact OH-CD1 3.35Å
139	L	96.1	Very high	92.3	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	121.8	175.4	178.9	56.7	0	0	0	110.3	L115 L117 F130 L136 F154 L157 L160 V162 L163 I164	L115-L139 HydrophobicContact CB-CD1 4.11Å; L115-L139 HydrophobicContact CD2-CD1 3.99Å; L115-L139 HydrophobicContact CG-CD1 4.02Å; L117-L139 HydrophobicContact CD1-CD1 4.36Å; F130-L139 HydrophobicContact CD1-CD2 4.48Å; F130-L139 HydrophobicContact CE1-CD1 3.97Å; F130-L139 HydrophobicContact CE1-CD2 3.98Å; F130-L139 HydrophobicContact CE2-CD2 4.24Å; F130-L139 HydrophobicContact CZ-CD1 4.4Å; F130-L139 HydrophobicContact CZ-CD2 3.84Å; L136-L139 HydrophobicContact CD2-CB 3.94Å; L136-L139 HydrophobicContact CD2-CD1 4.34Å; L136-L139 HydrophobicContact CD2-CD2 4.47Å; L136-L139 HydrophobicContact CD2-CG 4.48Å; L139-F154 HydrophobicContact CD2-CD1 4.46Å; L139-F154 HydrophobicContact CD2-CE1 4.09Å; L139-L157 HydrophobicContact CD2-CD1 4.26Å; L139-L160 HydrophobicContact CB-CD1 3.72Å; L139-L160 HydrophobicContact CB-CD2 4.35Å; L139-V162 PolarHBondContact N-O 3.36Å; L139-L163 HydrophobicContact CB-CD1 4.09Å; L139-L163 HydrophobicContact CD2-CD1 3.89Å; L139-L163 HydrophobicContact CG-CD1 4Å; L139-L163 WeakPolarHBondContact O-CA 3.41Å; L139-I164 PolarHBondContact O-N 2.9Å
140	Q	93.1	Very high	92.5	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.9	177.1	174.2	-173.1	3.2	0	0	110	L115 H116 L117 N118 Y138 D142 I164	L115-Q140 PolarHBondContact O-N 3.43Å; H116-Q140 PolarHBondContact ND1-OE1 2.96Å; L117-Q140 PolarHBondContact N-O 3.11Å; N118-Q140 HydrophobicContact CB-CG 4.3Å; Y138-Q140 HydrophobicContact CD1-CB 4.43Å; Y138-Q140 HydrophobicContact CE1-CB 3.58Å; Y138-Q140 PolarHBondContact OH-OE1 3.17Å; Q140-D142 VanDerWaalsContact CD-OD1 3.29Å; Q140-D142 WeakPolarHBondContact CG-OD1 3.34Å; Q140-D142 PolarHBondContact NE2-OD1 3.06Å; Q140-I164 HydrophobicContact CB-CB 4.35Å; Q140-I164 HydrophobicContact CG-CB 4.3Å; Q140-I164 HydrophobicContact CG-CG2 4.25Å
141	A	94.3	Very high	92.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	19%	0.187	C	C	.	.			trans	-145	39.2	178.6	0	0	0	0	0	112.3	L117 I146 I164 L165 N168	L117-A141 HydrophobicContact CB-CB 4.23Å; A141-I146 HydrophobicContact CB-CD1 4.23Å; A141-I164 PolarHBondContact N-O 3.11Å; A141-L165 HydrophobicContact CB-CD2 4.06Å; A141-N168 PolarHBondContact O-ND2 3.39Å
142	D	89.1	Confident	92.2	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.043	17%	0.173	C	C	.	.			trans	-66.3	163.5	172.1	57.6	-54.7	0	0	0	112.9	N118 N119 Q140 N144 I164 N166	N118-D142 VanDerWaalsContact CA-O 3.31Å; N118-D142 WeakPolarHBondContact CA-O 3.44Å; N118-D142 WeakPolarHBondContact CB-OD1 3.34Å; N119-D142 PolarHBondContact N-O 3.39Å; Q140-D142 VanDerWaalsContact CD-OD1 3.29Å; Q140-D142 WeakPolarHBondContact CG-OD1 3.34Å; Q140-D142 PolarHBondContact NE2-OD1 3.06Å; D142-N144 PolarHBondContact O-N 3.39Å; D142-N144 PolarHBondContact O-ND2 2.97Å; D142-I164 HydrophobicContact CB-CG2 4.25Å; D142-N166 WeakPolarHBondContact CA-O 3.27Å; D142-N166 VanDerWaalsContact CB-OD1 3.31Å; D142-N166 WeakPolarHBondContact CB-OD1 3.18Å
143	Y	88.1	Confident	92.5	Very high	74 Å²	74	31.8 Å²	31.8	29%	0.29	17%	0.167	S	C	.	.	S	Bend	trans	50.1	54.5	179.2	-71.6	-91.9	0	0	0	112.6	N119 N120 N166 D167 Y456	N119-Y143 CarbonylContact C-O 3.55Å; N119-Y143 WeakPolarHBondContact CA-O 3.35Å; N119-Y143 PolarHBondContact N-O 3.44Å; N120-Y143 PolarHBondContact N-O 3.26Å; Y143-N166 PolarHBondContact N-O 3.23Å; Y143-D167 WeakPolarHBondContact CA-O 3.34Å; Y143-D167 HydrophobicContact CD1-CB 4.21Å; Y143-D167 HydrophobicContact CD2-CB 4.01Å; Y143-D167 HydrophobicContact CE1-CB 3.9Å; Y143-D167 HydrophobicContact CE2-CB 3.63Å; Y143-D167 WeakPolarHBondContact CE2-OD2 3.5Å; Y143-D167 HydrophobicContact CG-CB 4.23Å; Y143-D167 VanDerWaalsContact CZ-CG 3.41Å; Y143-D167 PolarHBondContact N-O 2.81Å; Y143-D167 PolarHBondContact OH-OD2 3.3Å; Y143-Y456 HydrophobicContact CE1-CE1 4.39Å; Y143-Y456 AromaticContact CE2-CZ 3.9Å; Y143-Y456 WeakPolarHBondContact CE2-OH 3.24Å; Y143-Y456 AromaticContact CZ-CZ 3.52Å; Y143-Y456 WeakPolarHBondContact OH-CE2 3.3Å; Y143-Y456 VanDerWaalsContact OH-CZ 3.26Å; Y143-Y456 PolarHBondContact OH-OH 3.36Å
144	N	92.1	Very high	92.5	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	17%	0.167	C	C	.	.	S	Bend	trans	-129	-178.5	175.1	-87.2	-96.6	0	0	0	109.4	L117 N120 K121 L122 D142 I146 N168	L117-N144 PolarHBondContact O-ND2 3.29Å; N120-N144 WeakPolarHBondContact CA-OD1 3.38Å; N120-N144 WeakPolarHBondContact CB-OD1 3.17Å; N120-N144 PolarHBondContact N-ND2 3.22Å; N120-N144 PolarHBondContact O-OD1 2.69Å; K121-N144 PolarHBondContact N-OD1 3.34Å; L122-N144 WeakPolarHBondContact CB-OD1 3.31Å; L122-N144 WeakPolarHBondContact CG-OD1 3.06Å; L122-N144 PolarHBondContact N-OD1 3.01Å; L122-N144 VanDerWaalsContact N-OD1 3.1Å; D142-N144 PolarHBondContact O-N 3.39Å; D142-N144 PolarHBondContact O-ND2 2.97Å; N144-I146 HydrophobicContact CB-CD1 4.1Å; N144-I146 HydrophobicContact CB-CG1 3.94Å; N144-N168 VanDerWaalsContact CB-OD1 3.23Å; N144-N168 WeakPolarHBondContact CB-OD1 3.21Å; N144-N168 PolarHBondContact O-OD1 2.89Å
145	Y	93.9	Very high	92.6	Very high	127 Å²	127	27.6 Å²	27.6	50%	0.498	15%	0.149	S	C	.	.			trans	-106.5	27.4	179.6	-56.4	-48.8	0	0	0	112.2	K121 L122 S147 L169	K121-Y145 HydrophobicContact CB-CD2 4.14Å; K121-Y145 HydrophobicContact CB-CE2 4.15Å; K121-Y145 HydrophobicContact CG-CD2 4.46Å; K121-Y145 HydrophobicContact CG-CE2 3.97Å; L122-Y145 CarbonylContact O-C 3.51Å; L122-Y145 WeakPolarHBondContact O-CA 3.1Å; L122-Y145 PolarHBondContact O-N 3.06Å; Y145-S147 PolarHBondContact O-N 2.98Å; Y145-L169 HydrophobicContact CD1-CD1 4.44Å
146	I	95.3	Very high	92.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.			trans	-67.7	108.4	-169.2	-54.9	164.9	0	0	0	109	L122 E123 L125 A141 N144 A148 I149 L165 N168 L169 L170	L122-I146 HydrophobicContact CB-CG1 4.18Å; L122-I146 WeakPolarHBondContact O-CG1 3.47Å; L122-I146 PolarHBondContact O-N 3.05Å; E123-I146 WeakPolarHBondContact O-CA 3.16Å; L125-I146 HydrophobicContact CD1-CD1 4Å; L125-I146 HydrophobicContact CD1-CG2 4.42Å; L125-I146 HydrophobicContact CD2-CD1 4.19Å; L125-I146 HydrophobicContact CG-CD1 4.03Å; L125-I146 HydrophobicContact CG-CG1 4.49Å; L125-I146 HydrophobicContact CG-CG2 4Å; A141-I146 HydrophobicContact CB-CD1 4.23Å; N144-I146 HydrophobicContact CB-CD1 4.1Å; N144-I146 HydrophobicContact CB-CG1 3.94Å; I146-A148 WeakPolarHBondContact CG2-O 3.23Å; I146-I149 HydrophobicContact CG2-CG1 4.16Å; I146-L165 HydrophobicContact CD1-CD2 4.26Å; I146-N168 HydrophobicContact CB-CB 4.47Å; I146-N168 WeakPolarHBondContact CB-OD1 3.21Å; I146-N168 WeakPolarHBondContact CD1-OD1 3.39Å; I146-N168 VanDerWaalsContact CG1-OD1 3.23Å; I146-N168 WeakPolarHBondContact CG1-OD1 3.4Å; I146-N168 PolarHBondContact N-OD1 2.8Å; I146-L169 CarbonylContact O-C 3.55Å; I146-L169 WeakPolarHBondContact O-CA 3.48Å; I146-L169 PolarHBondContact O-N 3.2Å; I146-L170 HydrophobicContact CB-CD2 4.39Å; I146-L170 HydrophobicContact CG2-CD2 3.76Å; I146-L170 WeakPolarHBondContact O-CD2 3.48Å; I146-L170 PolarHBondContact O-N 2.94Å; I146-L170 VanDerWaalsContact O-N 3.12Å
147	S	92.8	Very high	92.2	Very high	47 Å²	47	30.2 Å²	30.2	33%	0.329	16%	0.158	S	C	.	.			trans	-94.3	-29	-177.1	62.9	0	0	0	0	112.6	E123 Y145	E123-S147 PolarHBondContact O-N 3Å; E123-S147 PolarHBondContact O-OG 3.07Å; Y145-S147 PolarHBondContact O-N 2.98Å
148	A	92.4	Very high	92	Very high	41 Å²	41	33 Å²	33	34%	0.339	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	149	-177.3	0	0	0	0	0	112	I124 L125 I146	I124-A148 WeakPolarHBondContact CA-O 3.05Å; I124-A148 HydrophobicContact CG2-CB 4.5Å; L125-A148 PolarHBondContact N-O 2.74Å; L125-A148 VanDerWaalsContact N-O 3.09Å; I146-A148 WeakPolarHBondContact CG2-O 3.23Å
149	I	94.9	Very high	92	Very high	13 Å²	13	36.6 Å²	36.6	7%	0.067	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.8	171.6	-59.7	174.1	0	0	0	106.6	L125 I146 A153 F154 L165 L170 L173 P174 V177	L125-I149 HydrophobicContact CB-CG1 4.26Å; L125-I149 HydrophobicContact CB-CG2 4.36Å; L125-I149 HydrophobicContact CD1-CD1 4.38Å; L125-I149 HydrophobicContact CD1-CG1 4.24Å; L125-I149 WeakPolarHBondContact O-CA 3.48Å; I146-I149 HydrophobicContact CG2-CG1 4.16Å; I149-A153 HydrophobicContact CG2-CB 3.71Å; I149-F154 HydrophobicContact CD1-CE2 4.46Å; I149-F154 HydrophobicContact CD1-CZ 4.24Å; I149-F154 HydrophobicContact CG2-CE2 4.29Å; I149-F154 HydrophobicContact CG2-CZ 4.28Å; I149-L165 HydrophobicContact CD1-CD1 4.05Å; I149-L170 HydrophobicContact CD1-CD1 3.98Å; I149-L170 HydrophobicContact CD1-CD2 3.73Å; I149-L170 HydrophobicContact CG1-CD2 3.69Å; I149-L173 HydrophobicContact CD1-CD2 4.33Å; I149-P174 HydrophobicContact CB-CG 4.47Å; I149-P174 HydrophobicContact CG2-CG 4.46Å; I149-P174 VanDerWaalsContact O-CG 3.28Å; I149-P174 WeakPolarHBondContact O-CG 3.44Å; I149-V177 HydrophobicContact CG2-CG2 4.07Å
150	E	92.9	Very high	91.9	Very high	84 Å²	84	36.6 Å²	36.6	39%	0.393	19%	0.19	S	C	.	.			trans	-82.9	146.8	173.1	-70.4	176.5	-175.2	0	0	111.2	L125 R126 E127 G152 A153	L125-E150 PolarHBondContact O-N 3.02Å; R126-E150 WeakPolarHBondContact CA-OE2 3.49Å; R126-E150 WeakPolarHBondContact CB-OE2 3.21Å; E127-E150 PolarHBondContact N-OE2 2.78Å; E150-G152 PolarHBondContact O-N 3.02Å; E150-A153 VanDerWaalsContact O-CB 3.31Å; E150-A153 WeakPolarHBondContact O-CB 3.37Å; E150-A153 PolarHBondContact O-N 3.12Å
151	A	88.4	Confident	91.8	Very high	50 Å²	50	40.9 Å²	40.9	41%	0.413	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.9	-171.6	0	0	0	0	0	114.4	P174	A151-P174 HydrophobicContact CB-CB 4.1Å; A151-P174 HydrophobicContact CB-CG 4.49Å
152	G	89.3	Confident	91.6	Very high	7 Å²	7	42.1 Å²	42.1	7%	0.072	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-1.3	179	0	0	0	0	0	116	E150 F154 S155	E150-G152 PolarHBondContact O-N 3.02Å; G152-F154 VanDerWaalsContact C-N 3.26Å; G152-F154 PolarHBondContact O-N 2.98Å; G152-F154 VanDerWaalsContact O-N 3.1Å; G152-S155 WeakPolarHBondContact O-CB 3.48Å; G152-S155 PolarHBondContact O-N 3.12Å; G152-S155 PolarHBondContact O-OG 3.15Å
153	A	92.4	Very high	91.8	Very high	2 Å²	2	41.8 Å²	41.8	2%	0.017	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.1	-170.3	0	0	0	0	0	114.6	L125 F130 I149 E150	L125-A153 HydrophobicContact CB-CB 4.5Å; F130-A153 WeakPolarHBondContact CD2-O 3.09Å; I149-A153 HydrophobicContact CG2-CB 3.71Å; E150-A153 VanDerWaalsContact O-CB 3.31Å; E150-A153 WeakPolarHBondContact O-CB 3.37Å; E150-A153 PolarHBondContact O-N 3.12Å
154	F	93.2	Very high	91.9	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.009	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	7.4	177.3	-45.9	-46.7	0	0	0	113.4	L125 F130 L139 I149 G152 K156 L157 L163 L165 V177 F178 V181	L125-F154 HydrophobicContact CD1-CE1 4.26Å; L125-F154 HydrophobicContact CD1-CZ 4.24Å; F130-F154 HydrophobicContact CD2-CD1 4.26Å; F130-F154 HydrophobicContact CD2-CE1 4.33Å; F130-F154 HydrophobicContact CE2-CD1 4.26Å; F130-F154 AromaticContact CE2-CE1 3.86Å; F130-F154 HydrophobicContact CE2-CE1 3.86Å; L139-F154 HydrophobicContact CD2-CD1 4.46Å; L139-F154 HydrophobicContact CD2-CE1 4.09Å; I149-F154 HydrophobicContact CD1-CE2 4.46Å; I149-F154 HydrophobicContact CD1-CZ 4.24Å; I149-F154 HydrophobicContact CG2-CE2 4.29Å; I149-F154 HydrophobicContact CG2-CZ 4.28Å; G152-F154 VanDerWaalsContact C-N 3.26Å; G152-F154 PolarHBondContact O-N 2.98Å; G152-F154 VanDerWaalsContact O-N 3.1Å; F154-K156 PolarHBondContact O-N 2.85Å; F154-L157 HydrophobicContact CB-CD1 4.19Å; F154-L157 HydrophobicContact CD1-CD1 3.83Å; F154-L157 HydrophobicContact CG-CD1 4.44Å; F154-L157 PolarHBondContact O-N 3.09Å; F154-L163 HydrophobicContact CD2-CD2 4.23Å; F154-L163 HydrophobicContact CE2-CD2 3.72Å; F154-L163 HydrophobicContact CZ-CD1 4.31Å; F154-L163 HydrophobicContact CZ-CD2 4Å; F154-L165 HydrophobicContact CZ-CD1 4.3Å; F154-V177 HydrophobicContact CD2-CG2 3.81Å; F154-V177 HydrophobicContact CE2-CG2 3.98Å; F154-F178 HydrophobicContact CD2-CD1 4.41Å; F154-F178 HydrophobicContact CD2-CE1 4.28Å; F154-F178 HydrophobicContact CE2-CE1 4.27Å; F154-V181 HydrophobicContact CB-CG2 3.87Å; F154-V181 WeakPolarHBondContact O-CG2 3.23Å
155	S	90.3	Very high	92.1	Very high	19 Å²	19	39.7 Å²	39.7	13%	0.133	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.5	-172.5	68.9	0	0	0	0	115.7	G152	G152-S155 WeakPolarHBondContact O-CB 3.48Å; G152-S155 PolarHBondContact O-N 3.12Å; G152-S155 PolarHBondContact O-OG 3.15Å
156	K	88.6	Confident	91.8	Very high	76 Å²	76	34.3 Å²	34.3	33%	0.33	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-5.8	176.8	-41.6	-55.7	-180	-128.7	0	112.8	E127 L131 F154 N158	E127-K156 IonicContact OE1-NZ 2.78Å; L131-K156 HydrophobicContact CD1-CG 4.41Å; F154-K156 PolarHBondContact O-N 2.85Å; K156-N158 VanDerWaalsContact C-N 3.26Å; K156-N158 PolarHBondContact O-N 3.33Å; K156-N158 VanDerWaalsContact O-N 3.12Å
157	L	92.6	Very high	91.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.199	C	C	.	.			trans	-91.6	53	-170.6	-56.1	-175.8	0	0	0	111.4	F130 L133 L136 L139 F154 K159 L160	F130-L157 HydrophobicContact CB-CD1 4.13Å; F130-L157 HydrophobicContact CB-CD2 4.02Å; F130-L157 HydrophobicContact CB-CG 4.4Å; F130-L157 HydrophobicContact CD2-CD1 4.41Å; F130-L157 HydrophobicContact CG-CD1 4.26Å; L133-L157 HydrophobicContact CB-CD2 3.72Å; L133-L157 WeakPolarHBondContact O-CD2 3.35Å; L136-L157 HydrophobicContact CB-CD2 4.26Å; L136-L157 HydrophobicContact CD2-CD1 4.27Å; L136-L157 HydrophobicContact CD2-CD2 4.26Å; L139-L157 HydrophobicContact CD2-CD1 4.26Å; F154-L157 HydrophobicContact CB-CD1 4.19Å; F154-L157 HydrophobicContact CD1-CD1 3.83Å; F154-L157 HydrophobicContact CG-CD1 4.44Å; F154-L157 PolarHBondContact O-N 3.09Å; L157-K159 PolarHBondContact O-N 2.72Å; L157-L160 HydrophobicContact CB-CB 3.95Å; L157-L160 HydrophobicContact CB-CD2 4.18Å; L157-L160 HydrophobicContact CD1-CD2 3.9Å; L157-L160 VanDerWaalsContact O-CB 3.3Å; L157-L160 WeakPolarHBondContact O-CB 3.5Å; L157-L160 PolarHBondContact O-N 3.02Å
158	N	89.9	Confident	91.5	Very high	105 Å²	105	34.3 Å²	34.3	56%	0.561	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-9.8	-165.9	-58	-5.4	0	0	0	114.9	K156	K156-N158 VanDerWaalsContact C-N 3.26Å; K156-N158 PolarHBondContact O-N 3.33Å; K156-N158 VanDerWaalsContact O-N 3.12Å
159	K	92.5	Very high	91.5	Very high	106 Å²	106	36 Å²	36	46%	0.461	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	1	178	-54.4	-174.2	-156.7	161.9	0	113.6	E134 S135 L136 E137 L157 K161	E134-K159 WeakPolarHBondContact O-CE 3.34Å; S135-K159 PolarHBondContact OG-NZ 3.31Å; L136-K159 CarbonylContact O-C 3.05Å; E137-K159 HydrophobicContact CG-CB 4.4Å; L157-K159 PolarHBondContact O-N 2.72Å; K159-K161 PolarHBondContact O-N 3.09Å
160	L	94.2	Very high	91.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.			trans	-70.6	125.8	-172	177	69.3	0	0	0	110.6	L136 L139 L157 V162 V181 L182 L183	L136-L160 HydrophobicContact CD2-CD1 4.38Å; L136-L160 HydrophobicContact CG-CD1 4.49Å; L136-L160 WeakPolarHBondContact O-CA 3Å; L136-L160 PolarHBondContact O-N 2.85Å; L139-L160 HydrophobicContact CB-CD1 3.72Å; L139-L160 HydrophobicContact CB-CD2 4.35Å; L157-L160 HydrophobicContact CB-CB 3.95Å; L157-L160 HydrophobicContact CB-CD2 4.18Å; L157-L160 HydrophobicContact CD1-CD2 3.9Å; L157-L160 VanDerWaalsContact O-CB 3.3Å; L157-L160 WeakPolarHBondContact O-CB 3.5Å; L157-L160 PolarHBondContact O-N 3.02Å; L160-V162 VanDerWaalsContact CD1-O 3.29Å; L160-V162 WeakPolarHBondContact CD1-O 3.41Å; L160-V181 HydrophobicContact CB-CG1 3.77Å; L160-V181 HydrophobicContact CD2-CG1 4.17Å; L160-V181 HydrophobicContact CG-CG1 4.11Å; L160-V181 WeakPolarHBondContact O-CG1 3.45Å; L160-L182 CarbonylContact O-C 3.59Å; L160-L183 HydrophobicContact CD2-CD2 4.33Å; L160-L183 HydrophobicContact CG-CD2 4Å
161	K	90.4	Very high	91.4	Very high	91 Å²	91	36.5 Å²	36.5	40%	0.396	19%	0.192	S	C	.	.			trans	-113.2	-39.3	-175.7	-65.4	163	-175.1	172.4	0	111.9	E137 K159 L183 T184 H185	E137-K161 PolarHBondContact O-N 3.29Å; E137-K161 WeakPolarHBondContact OE2-CE 3.43Å; E137-K161 IonicContact OE2-NZ 3.08Å; E137-K161 PolarHBondContact OE2-NZ 3.26Å; K159-K161 PolarHBondContact O-N 3.09Å; K161-L183 CarbonylContact O-C 3.44Å; K161-L183 WeakPolarHBondContact O-CA 3.4Å; K161-T184 PolarHBondContact O-N 3.01Å; K161-T184 PolarHBondContact O-OG1 2.82Å; K161-H185 PolarHBondContact O-N 3.45Å
162	V	89.4	Confident	91.5	Very high	28 Å²	28	37.4 Å²	37.4	17%	0.17	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.5	-176.1	-179.9	0	0	0	0	109	E137 Y138 L139 L160 I164 H185	E137-V162 PolarHBondContact O-N 2.88Å; Y138-V162 HydrophobicContact CD2-CB 3.62Å; Y138-V162 HydrophobicContact CD2-CG1 3.59Å; Y138-V162 HydrophobicContact CD2-CG2 4.16Å; Y138-V162 HydrophobicContact CE2-CB 4.23Å; Y138-V162 HydrophobicContact CE2-CG1 3.65Å; Y138-V162 HydrophobicContact CG-CB 4.31Å; Y138-V162 HydrophobicContact CG-CG1 4.48Å; L139-V162 PolarHBondContact N-O 3.36Å; L160-V162 VanDerWaalsContact CD1-O 3.29Å; L160-V162 WeakPolarHBondContact CD1-O 3.41Å; V162-I164 HydrophobicContact CG1-CD1 4.04Å; V162-I164 HydrophobicContact CG1-CG1 4.02Å; V162-H185 HydrophobicContact CG1-CB 4.22Å; V162-H185 HydrophobicContact CG2-CB 4.17Å
163	L	94.8	Very high	91.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	116.5	176.5	178.6	60.1	0	0	0	109.9	L139 F154 L165 F178 L183 H185 L186 D187	L139-L163 HydrophobicContact CB-CD1 4.09Å; L139-L163 HydrophobicContact CD2-CD1 3.89Å; L139-L163 HydrophobicContact CG-CD1 4Å; L139-L163 WeakPolarHBondContact O-CA 3.41Å; F154-L163 HydrophobicContact CD2-CD2 4.23Å; F154-L163 HydrophobicContact CE2-CD2 3.72Å; F154-L163 HydrophobicContact CZ-CD1 4.31Å; F154-L163 HydrophobicContact CZ-CD2 4Å; L163-L165 HydrophobicContact CD1-CD1 3.95Å; L163-L165 HydrophobicContact CD1-CG 3.94Å; L163-L165 HydrophobicContact CD2-CD1 3.85Å; L163-L165 HydrophobicContact CG-CD1 3.83Å; L163-L165 HydrophobicContact CG-CG 4.07Å; L163-F178 HydrophobicContact CD2-CE1 3.84Å; L163-L183 HydrophobicContact CB-CD1 4.12Å; L163-L183 HydrophobicContact CB-CD2 3.78Å; L163-L183 HydrophobicContact CD2-CD1 4.08Å; L163-H185 PolarHBondContact N-O 3.23Å; L163-L186 HydrophobicContact CB-CD1 4.13Å; L163-L186 HydrophobicContact CD2-CD1 3.98Å; L163-L186 HydrophobicContact CG-CD1 4.07Å; L163-L186 WeakPolarHBondContact O-CA 3.33Å; L163-D187 PolarHBondContact O-N 3.25Å; L163-D187 VanDerWaalsContact O-N 3.09Å
164	I	90.3	Very high	91.7	Very high	34 Å²	34	39 Å²	39	17%	0.174	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	115	-177.5	-62.9	170.2	0	0	0	108.5	Y138 L139 Q140 A141 D142 V162 N166	Y138-I164 HydrophobicContact CE2-CD1 4.14Å; Y138-I164 WeakPolarHBondContact OH-CD1 3.35Å; L139-I164 PolarHBondContact O-N 2.9Å; Q140-I164 HydrophobicContact CB-CB 4.35Å; Q140-I164 HydrophobicContact CG-CB 4.3Å; Q140-I164 HydrophobicContact CG-CG2 4.25Å; A141-I164 PolarHBondContact N-O 3.11Å; D142-I164 HydrophobicContact CB-CG2 4.25Å; V162-I164 HydrophobicContact CG1-CD1 4.04Å; V162-I164 HydrophobicContact CG1-CG1 4.02Å; I164-N166 WeakPolarHBondContact CG2-OD1 3.32Å
165	L	94.7	Very high	91.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.227	C	C	.	.			trans	-136	22.2	-174.4	-72.7	171.8	0	0	0	112.1	L125 A141 I146 I149 F154 L163 N168 L170 D187 L188 N191	L125-L165 HydrophobicContact CD1-CD2 4.4Å; A141-L165 HydrophobicContact CB-CD2 4.06Å; I146-L165 HydrophobicContact CD1-CD2 4.26Å; I149-L165 HydrophobicContact CD1-CD1 4.05Å; F154-L165 HydrophobicContact CZ-CD1 4.3Å; L163-L165 HydrophobicContact CD1-CD1 3.95Å; L163-L165 HydrophobicContact CD1-CG 3.94Å; L163-L165 HydrophobicContact CD2-CD1 3.85Å; L163-L165 HydrophobicContact CG-CD1 3.83Å; L163-L165 HydrophobicContact CG-CG 4.07Å; L165-N168 PolarHBondContact O-ND2 2.95Å; L165-L170 HydrophobicContact CD1-CD1 4.48Å; L165-D187 CarbonylContact C-O 3.09Å; L165-D187 PolarHBondContact N-O 3.13Å; L165-L188 HydrophobicContact CB-CD2 3.97Å; L165-L188 HydrophobicContact CD1-CD2 4.24Å; L165-N191 PolarHBondContact O-ND2 3.47Å
166	N	88.8	Confident	91.6	Very high	13 Å²	13	44.1 Å²	44.1	7%	0.07	24%	0.235	C	C	.	.			trans	-61.9	161.2	175.8	59.3	-71.7	0	0	0	112.4	D142 Y143 I164 N168 D187 R189	D142-N166 WeakPolarHBondContact CA-O 3.27Å; D142-N166 VanDerWaalsContact CB-OD1 3.31Å; D142-N166 WeakPolarHBondContact CB-OD1 3.18Å; Y143-N166 PolarHBondContact N-O 3.23Å; I164-N166 WeakPolarHBondContact CG2-OD1 3.32Å; N166-N168 PolarHBondContact O-N 2.79Å; N166-N168 PolarHBondContact O-ND2 2.72Å; N166-D187 PolarHBondContact OD1-OD2 3.14Å; N166-R189 CarbonylContact C-O 3.15Å; N166-R189 WeakPolarHBondContact CA-O 3.42Å; N166-R189 HydrophobicContact CB-CB 4.19Å
167	D	88.4	Confident	91.7	Very high	46 Å²	46	40.7 Å²	40.7	25%	0.246	22%	0.22	C	C	.	.	S	Bend	trans	53.5	54.3	172.5	-57.1	-55.2	0	0	0	112.5	Y143 R189	Y143-D167 WeakPolarHBondContact CA-O 3.34Å; Y143-D167 HydrophobicContact CD1-CB 4.21Å; Y143-D167 HydrophobicContact CD2-CB 4.01Å; Y143-D167 HydrophobicContact CE1-CB 3.9Å; Y143-D167 HydrophobicContact CE2-CB 3.63Å; Y143-D167 WeakPolarHBondContact CE2-OD2 3.5Å; Y143-D167 HydrophobicContact CG-CB 4.23Å; Y143-D167 VanDerWaalsContact CZ-CG 3.41Å; Y143-D167 PolarHBondContact N-O 2.81Å; Y143-D167 PolarHBondContact OH-OD2 3.3Å; D167-R189 PolarHBondContact N-O 3.44Å
168	N	93.1	Very high	91.7	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.011	22%	0.221	C	C	.	.	S	Bend	trans	-133.7	-176.1	-179.6	-90.4	-83.5	0	0	0	110	A141 N144 I146 L165 N166 N191	A141-N168 PolarHBondContact O-ND2 3.39Å; N144-N168 VanDerWaalsContact CB-OD1 3.23Å; N144-N168 WeakPolarHBondContact CB-OD1 3.21Å; N144-N168 PolarHBondContact O-OD1 2.89Å; I146-N168 HydrophobicContact CB-CB 4.47Å; I146-N168 WeakPolarHBondContact CB-OD1 3.21Å; I146-N168 WeakPolarHBondContact CD1-OD1 3.39Å; I146-N168 VanDerWaalsContact CG1-OD1 3.23Å; I146-N168 WeakPolarHBondContact CG1-OD1 3.4Å; I146-N168 PolarHBondContact N-OD1 2.8Å; L165-N168 PolarHBondContact O-ND2 2.95Å; N166-N168 PolarHBondContact O-N 2.79Å; N166-N168 PolarHBondContact O-ND2 2.72Å; N168-N191 VanDerWaalsContact C-OD1 3.23Å; N168-N191 VanDerWaalsContact CB-OD1 3.23Å; N168-N191 WeakPolarHBondContact CB-OD1 3.37Å; N168-N191 PolarHBondContact O-OD1 3.24Å
169	L	93.1	Very high	91.7	Very high	76 Å²	76	42.6 Å²	42.6	40%	0.398	22%	0.22	S	C	.	.			trans	-110.8	20.4	-171.5	-60.7	178.9	0	0	0	113.7	Y145 I146 L171	Y145-L169 HydrophobicContact CD1-CD1 4.44Å; I146-L169 CarbonylContact O-C 3.55Å; I146-L169 WeakPolarHBondContact O-CA 3.48Å; I146-L169 PolarHBondContact O-N 3.2Å; L169-L171 PolarHBondContact O-N 3.3Å
170	L	95.1	Very high	91.5	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.22	C	C	.	.			trans	-63.2	116.9	-170.9	-62.1	173.1	0	0	0	111.9	I146 I149 L165 L173 L188 N191 R192 L193	I146-L170 HydrophobicContact CB-CD2 4.39Å; I146-L170 HydrophobicContact CG2-CD2 3.76Å; I146-L170 WeakPolarHBondContact O-CD2 3.48Å; I146-L170 PolarHBondContact O-N 2.94Å; I146-L170 VanDerWaalsContact O-N 3.12Å; I149-L170 HydrophobicContact CD1-CD1 3.98Å; I149-L170 HydrophobicContact CD1-CD2 3.73Å; I149-L170 HydrophobicContact CG1-CD2 3.69Å; L165-L170 HydrophobicContact CD1-CD1 4.48Å; L170-L173 HydrophobicContact CD1-CD2 4.33Å; L170-L188 HydrophobicContact CD1-CD2 4.05Å; L170-N191 HydrophobicContact CB-CB 4.36Å; L170-N191 WeakPolarHBondContact CB-OD1 3.36Å; L170-N191 WeakPolarHBondContact CD1-OD1 3.25Å; L170-N191 WeakPolarHBondContact CG-OD1 3.49Å; L170-N191 PolarHBondContact N-OD1 3.04Å; L170-N191 VanDerWaalsContact N-OD1 3.08Å; L170-R192 CarbonylContact O-C 3.2Å; L170-R192 VanDerWaalsContact O-CA 3.27Å; L170-R192 WeakPolarHBondContact O-CA 3.32Å; L170-R192 PolarHBondContact O-N 3.07Å; L170-L193 HydrophobicContact CB-CD2 4.13Å; L170-L193 PolarHBondContact O-N 2.74Å
171	L	90.7	Very high	91.3	Very high	107 Å²	107	43 Å²	43	56%	0.56	22%	0.222	S	C	*	.	S	Bend	trans	-80.5	-33.1	178	-66.3	170.1	0	0	0	113	L169 R192	L169-L171 PolarHBondContact O-N 3.3Å; L171-R192 HydrophobicContact CD2-CB 3.99Å
172	S	90.9	Very high	91.2	Very high	68 Å²	68	45.5 Å²	45.5	48%	0.476	24%	0.239	S	C	.	.			trans	-166.6	147.5	-178.9	56.7	0	0	0	0	110.5
173	L	93.1	Very high	91.2	Very high	14 Å²	14	44.7 Å²	44.7	7%	0.073	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-83.3	140.3	169.2	-61.3	-179.4	0	0	0	111.2	I149 L170 V177 F178 L188 L193 M196 V201	I149-L173 HydrophobicContact CD1-CD2 4.33Å; L170-L173 HydrophobicContact CD1-CD2 4.33Å; L173-V177 HydrophobicContact CB-CG1 4.45Å; L173-F178 HydrophobicContact CD1-CE2 3.75Å; L173-F178 HydrophobicContact CD1-CZ 3.84Å; L173-L188 HydrophobicContact CD1-CD1 4.05Å; L173-L193 HydrophobicContact CG-CD2 4.44Å; L173-M196 HydrophobicContact CD1-CE 3.98Å; L173-V201 HydrophobicContact CB-CG1 4.45Å; L173-V201 HydrophobicContact CB-CG2 4.35Å; L173-V201 HydrophobicContact CD1-CG1 4.02Å
174	P	92.3	Very high	90.9	Very high	29 Å²	29	46.6 Å²	46.6	19%	0.188	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-74.7	158.6	176.4	32.9	-36.4	0	0	0	111.8	I149 A151 V177	I149-P174 HydrophobicContact CB-CG 4.47Å; I149-P174 HydrophobicContact CG2-CG 4.46Å; I149-P174 VanDerWaalsContact O-CG 3.28Å; I149-P174 WeakPolarHBondContact O-CG 3.44Å; A151-P174 HydrophobicContact CB-CB 4.1Å; A151-P174 HydrophobicContact CB-CG 4.49Å; P174-V177 HydrophobicContact CG-CB 3.92Å; P174-V177 HydrophobicContact CG-CG2 3.82Å; P174-V177 WeakPolarHBondContact O-CB 3.49Å
175	S	90.3	Very high	90.6	Very high	72 Å²	72	48 Å²	48	50%	0.503	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	140.5	178.8	59	0	0	0	0	112.6	V177	S175-V177 VanDerWaalsContact C-N 3.31Å
176	N	89.7	Confident	90.4	Very high	57 Å²	57	48.1 Å²	48.1	31%	0.305	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	11.5	-175.7	-55.4	-92.5	0	0	0	115.5	F178 R179 G200	N176-F178 PolarHBondContact O-N 3.3Å; N176-F178 VanDerWaalsContact O-N 3.15Å; N176-R179 HydrophobicContact CB-CB 4.03Å; N176-R179 WeakPolarHBondContact O-CB 3.47Å; N176-R179 PolarHBondContact O-N 3.02Å; N176-R179 WeakPolarHBondContact OD1-CD 3.15Å; N176-G200 VanDerWaalsContact CA-O 3.26Å; N176-G200 WeakPolarHBondContact CA-O 3.42Å; N176-G200 PolarHBondContact N-O 3.06Å
177	V	92.3	Very high	90.4	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.018	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.1	-173.9	74.6	0	0	0	0	114.6	I149 F154 L173 P174 S175	I149-V177 HydrophobicContact CG2-CG2 4.07Å; F154-V177 HydrophobicContact CD2-CG2 3.81Å; F154-V177 HydrophobicContact CE2-CG2 3.98Å; L173-V177 HydrophobicContact CB-CG1 4.45Å; P174-V177 HydrophobicContact CG-CB 3.92Å; P174-V177 HydrophobicContact CG-CG2 3.82Å; P174-V177 WeakPolarHBondContact O-CB 3.49Å; S175-V177 VanDerWaalsContact C-N 3.31Å
178	F	91.8	Very high	90.6	Very high	4 Å²	4	46 Å²	46	2%	0.018	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	4.7	177.6	-54.6	-50.3	0	0	0	113.6	F154 L163 L173 N176 F180 V181 L183 L186 V201 H204 I205	F154-F178 HydrophobicContact CD2-CD1 4.41Å; F154-F178 HydrophobicContact CD2-CE1 4.28Å; F154-F178 HydrophobicContact CE2-CE1 4.27Å; L163-F178 HydrophobicContact CD2-CE1 3.84Å; L173-F178 HydrophobicContact CD1-CE2 3.75Å; L173-F178 HydrophobicContact CD1-CZ 3.84Å; N176-F178 PolarHBondContact O-N 3.3Å; N176-F178 VanDerWaalsContact O-N 3.15Å; F178-F180 PolarHBondContact O-N 3.47Å; F178-V181 PolarHBondContact O-N 2.89Å; F178-V181 VanDerWaalsContact O-O 3.1Å; F178-L183 HydrophobicContact CD1-CD1 3.72Å; F178-L183 HydrophobicContact CE1-CD1 3.76Å; F178-L183 HydrophobicContact CG-CD1 4.38Å; F178-L183 HydrophobicContact CZ-CD1 4.42Å; F178-L186 HydrophobicContact CE2-CD2 4.05Å; F178-L186 HydrophobicContact CZ-CD1 4.33Å; F178-L186 HydrophobicContact CZ-CD2 3.87Å; F178-V201 HydrophobicContact CD2-CG1 4.1Å; F178-V201 HydrophobicContact CE2-CG1 3.95Å; F178-H204 HydrophobicContact CB-CB 4.19Å; F178-I205 HydrophobicContact CD2-CD1 3.75Å; F178-I205 HydrophobicContact CD2-CG1 3.83Å; F178-I205 HydrophobicContact CE2-CD1 3.82Å; F178-I205 HydrophobicContact CE2-CG1 4.4Å
179	R	89.3	Confident	90.4	Very high	142 Å²	142	48.3 Å²	48.3	54%	0.536	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.4	-170.6	176	173.9	170.1	-177.5	-3.9	115	N176	N176-R179 HydrophobicContact CB-CB 4.03Å; N176-R179 WeakPolarHBondContact O-CB 3.47Å; N176-R179 PolarHBondContact O-N 3.02Å; N176-R179 WeakPolarHBondContact OD1-CD 3.15Å
180	F	88.3	Confident	90	Very high	107 Å²	107	45.5 Å²	45.5	47%	0.469	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	11.4	-178.7	-57.6	-75.1	0	0	0	112.7	F178	F178-F180 PolarHBondContact O-N 3.47Å
181	V	90.8	Very high	90	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.042	24%	0.238	C	C	.	.			trans	-129.3	128.9	-169.7	-170.5	0	0	0	0	110.7	F154 L160 F178 L183	F154-V181 HydrophobicContact CB-CG2 3.87Å; F154-V181 WeakPolarHBondContact O-CG2 3.23Å; L160-V181 HydrophobicContact CB-CG1 3.77Å; L160-V181 HydrophobicContact CD2-CG1 4.17Å; L160-V181 HydrophobicContact CG-CG1 4.11Å; L160-V181 WeakPolarHBondContact O-CG1 3.45Å; F178-V181 PolarHBondContact O-N 2.89Å; F178-V181 VanDerWaalsContact O-O 3.1Å; V181-L183 HydrophobicContact CG1-CD2 3.6Å; V181-L183 HydrophobicContact CG1-CG 3.76Å; V181-L183 PolarHBondContact O-N 3.06Å
182	L	88.6	Confident	90.1	Very high	144 Å²	144	46.2 Å²	46.2	75%	0.754	23%	0.233	S	C	*	.			trans	-102.6	70.4	-180	-63.8	176.6	0	0	0	110.4	L160 T184	L160-L182 CarbonylContact O-C 3.59Å; L182-T184 PolarHBondContact O-N 3.09Å
183	L	90.1	Very high	90.2	Very high	11 Å²	11	43 Å²	43	6%	0.058	21%	0.211	C	C	.	.			trans	-64.9	129.7	179.8	-64.6	-179.9	0	0	0	111.9	L160 K161 L163 F178 V181 L186	L160-L183 HydrophobicContact CD2-CD2 4.33Å; L160-L183 HydrophobicContact CG-CD2 4Å; K161-L183 CarbonylContact O-C 3.44Å; K161-L183 WeakPolarHBondContact O-CA 3.4Å; L163-L183 HydrophobicContact CB-CD1 4.12Å; L163-L183 HydrophobicContact CB-CD2 3.78Å; L163-L183 HydrophobicContact CD2-CD1 4.08Å; F178-L183 HydrophobicContact CD1-CD1 3.72Å; F178-L183 HydrophobicContact CE1-CD1 3.76Å; F178-L183 HydrophobicContact CG-CD1 4.38Å; F178-L183 HydrophobicContact CZ-CD1 4.42Å; V181-L183 HydrophobicContact CG1-CD2 3.6Å; V181-L183 HydrophobicContact CG1-CG 3.76Å; V181-L183 PolarHBondContact O-N 3.06Å; L183-L186 HydrophobicContact CD1-CB 4.36Å; L183-L186 HydrophobicContact CD1-CD1 4.15Å; L183-L186 HydrophobicContact CD1-CD2 4.3Å
184	T	87.4	Confident	90	Very high	40 Å²	40	47.7 Å²	47.7	25%	0.245	23%	0.231	C	C	.	.	S	Bend	trans	-98.2	-27.7	166.9	61.3	0	0	0	0	111.9	K161 L182 I208 M209 E210	K161-T184 PolarHBondContact O-N 3.01Å; K161-T184 PolarHBondContact O-OG1 2.82Å; L182-T184 PolarHBondContact O-N 3.09Å; T184-I208 WeakPolarHBondContact O-CG1 3.26Å; T184-M209 CarbonylContact O-C 3.24Å; T184-M209 WeakPolarHBondContact O-CA 3.48Å; T184-M209 WeakPolarHBondContact O-CB 2.88Å; T184-M209 PolarHBondContact O-N 3.37Å; T184-E210 PolarHBondContact O-N 2.77Å
185	H	84.4	Confident	89.9	Confident	64 Å²	64	48.6 Å²	48.6	30%	0.296	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	131.5	177.1	-55.9	68.5	0	0	0	110.3	K161 V162 L163 E210	K161-H185 PolarHBondContact O-N 3.45Å; V162-H185 HydrophobicContact CG1-CB 4.22Å; V162-H185 HydrophobicContact CG2-CB 4.17Å; L163-H185 PolarHBondContact N-O 3.23Å; H185-E210 WeakPolarHBondContact CA-O 3.49Å; H185-E210 IonicContact CD2-OE2 3.39Å
186	L	91.2	Very high	89.9	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.016	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	113.6	178.6	177	59.5	0	0	0	110.9	L163 F178 L183 L188 I205 I208 E210 I211 Q212	L163-L186 HydrophobicContact CB-CD1 4.13Å; L163-L186 HydrophobicContact CD2-CD1 3.98Å; L163-L186 HydrophobicContact CG-CD1 4.07Å; L163-L186 WeakPolarHBondContact O-CA 3.33Å; F178-L186 HydrophobicContact CE2-CD2 4.05Å; F178-L186 HydrophobicContact CZ-CD1 4.33Å; F178-L186 HydrophobicContact CZ-CD2 3.87Å; L183-L186 HydrophobicContact CD1-CB 4.36Å; L183-L186 HydrophobicContact CD1-CD1 4.15Å; L183-L186 HydrophobicContact CD1-CD2 4.3Å; L186-L188 HydrophobicContact CD1-CD1 4.12Å; L186-L188 HydrophobicContact CD1-CD2 4.38Å; L186-L188 HydrophobicContact CD1-CG 3.96Å; L186-L188 HydrophobicContact CD2-CD1 3.89Å; L186-L188 HydrophobicContact CG-CD1 3.93Å; L186-L188 HydrophobicContact CG-CG 4.07Å; L186-I205 HydrophobicContact CD2-CD1 4.23Å; L186-I208 HydrophobicContact CB-CD1 3.8Å; L186-E210 PolarHBondContact N-O 3.3Å; L186-E210 VanDerWaalsContact N-O 3.09Å; L186-I211 HydrophobicContact CB-CG1 4.28Å; L186-I211 HydrophobicContact CD2-CD1 4.21Å; L186-I211 HydrophobicContact CD2-CG1 4.5Å; L186-I211 HydrophobicContact CG-CG1 4.48Å; L186-I211 WeakPolarHBondContact O-CA 3.07Å; L186-Q212 PolarHBondContact O-N 3.1Å
187	D	88.1	Confident	89.8	Confident	14 Å²	14	45.2 Å²	45.2	8%	0.075	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.6	172.7	-170.9	-0.5	0	0	0	110.8	L163 L165 N166 R189 Q212	L163-D187 PolarHBondContact O-N 3.25Å; L163-D187 VanDerWaalsContact O-N 3.09Å; L165-D187 CarbonylContact C-O 3.09Å; L165-D187 PolarHBondContact N-O 3.13Å; N166-D187 PolarHBondContact OD1-OD2 3.14Å; D187-R189 WeakPolarHBondContact OD1-CB 3.33Å; D187-R189 VanDerWaalsContact OD1-CG 3.3Å; D187-R189 WeakPolarHBondContact OD1-CG 3.49Å; D187-R189 IonicContact OD1-CZ 2.94Å; D187-R189 PolarHBondContact OD1-N 3.37Å; D187-R189 IonicContact OD1-NE 3.9Å; D187-R189 PolarHBondContact OD1-NE 3.25Å; D187-R189 VanDerWaalsContact OD1-NE 3.07Å; D187-R189 IonicContact OD2-CZ 2.74Å; D187-R189 IonicContact OD2-NE 2.72Å; D187-R189 PolarHBondContact OD2-NE 2.95Å; D187-R189 IonicContact OD2-NH2 3.63Å; D187-R189 PolarHBondContact OD2-NH2 3.28Å; D187-Q212 HydrophobicContact CB-CB 4.5Å; D187-Q212 PolarHBondContact OD1-OE1 3.18Å; D187-Q212 PolarHBondContact OD2-OE1 2.96Å; D187-Q212 VanDerWaalsContact OD2-OE1 3.12Å
188	L	92.4	Very high	89.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.234	C	C	.	.			trans	-130.2	18.8	179.1	-69.9	167.2	0	0	0	111.9	L165 L170 L173 L186 N191 L193 M196 Q212 L213 N216	L165-L188 HydrophobicContact CB-CD2 3.97Å; L165-L188 HydrophobicContact CD1-CD2 4.24Å; L170-L188 HydrophobicContact CD1-CD2 4.05Å; L173-L188 HydrophobicContact CD1-CD1 4.05Å; L186-L188 HydrophobicContact CD1-CD1 4.12Å; L186-L188 HydrophobicContact CD1-CD2 4.38Å; L186-L188 HydrophobicContact CD1-CG 3.96Å; L186-L188 HydrophobicContact CD2-CD1 3.89Å; L186-L188 HydrophobicContact CG-CD1 3.93Å; L186-L188 HydrophobicContact CG-CG 4.07Å; L188-N191 WeakPolarHBondContact O-CB 3.21Å; L188-N191 PolarHBondContact O-ND2 3.34Å; L188-L193 HydrophobicContact CB-CD1 4.27Å; L188-L193 HydrophobicContact CD1-CD1 4.29Å; L188-M196 HydrophobicContact CD1-CE 3.95Å; L188-Q212 PolarHBondContact N-O 3.08Å; L188-Q212 VanDerWaalsContact N-O 3.12Å; L188-L213 HydrophobicContact CB-CD2 4.22Å; L188-L213 HydrophobicContact CD1-CD2 4.11Å; L188-N216 PolarHBondContact O-ND2 2.92Å
189	R	88.3	Confident	89.2	Confident	52 Å²	52	52.8 Å²	52.8	20%	0.196	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	160.1	179.2	-69.3	176.5	-63.2	147	3.2	112.9	N166 D167 D187 N191 Q212 E214	N166-R189 CarbonylContact C-O 3.15Å; N166-R189 WeakPolarHBondContact CA-O 3.42Å; N166-R189 HydrophobicContact CB-CB 4.19Å; D167-R189 PolarHBondContact N-O 3.44Å; D187-R189 WeakPolarHBondContact OD1-CB 3.33Å; D187-R189 VanDerWaalsContact OD1-CG 3.3Å; D187-R189 WeakPolarHBondContact OD1-CG 3.49Å; D187-R189 IonicContact OD1-CZ 2.94Å; D187-R189 PolarHBondContact OD1-N 3.37Å; D187-R189 IonicContact OD1-NE 3.9Å; D187-R189 PolarHBondContact OD1-NE 3.25Å; D187-R189 VanDerWaalsContact OD1-NE 3.07Å; D187-R189 IonicContact OD2-CZ 2.74Å; D187-R189 IonicContact OD2-NE 2.72Å; D187-R189 PolarHBondContact OD2-NE 2.95Å; D187-R189 IonicContact OD2-NH2 3.63Å; D187-R189 PolarHBondContact OD2-NH2 3.28Å; R189-N191 PolarHBondContact O-N 3.03Å; R189-N191 PolarHBondContact O-ND2 3.19Å; R189-Q212 HydrophobicContact CG-CB 3.83Å; R189-Q212 VanDerWaalsContact CZ-OE1 3.23Å; R189-E214 WeakPolarHBondContact CA-O 3.09Å; R189-E214 HydrophobicContact CG-CB 4.18Å
190	G	85.6	Confident	88.9	Confident	16 Å²	16	46.2 Å²	46.2	17%	0.165	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	11.9	174.8	0	0	0	0	0	115.5	E214	G190-E214 PolarHBondContact N-O 3.32Å
191	N	93.9	Very high	88.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-92.6	-177.1	-177.8	-85.5	-91.3	0	0	0	112.2	L165 N168 L170 L188 R189 L193 N216 P217	L165-N191 PolarHBondContact O-ND2 3.47Å; N168-N191 VanDerWaalsContact C-OD1 3.23Å; N168-N191 VanDerWaalsContact CB-OD1 3.23Å; N168-N191 WeakPolarHBondContact CB-OD1 3.37Å; N168-N191 PolarHBondContact O-OD1 3.24Å; L170-N191 HydrophobicContact CB-CB 4.36Å; L170-N191 WeakPolarHBondContact CB-OD1 3.36Å; L170-N191 WeakPolarHBondContact CD1-OD1 3.25Å; L170-N191 WeakPolarHBondContact CG-OD1 3.49Å; L170-N191 PolarHBondContact N-OD1 3.04Å; L170-N191 VanDerWaalsContact N-OD1 3.08Å; L188-N191 WeakPolarHBondContact O-CB 3.21Å; L188-N191 PolarHBondContact O-ND2 3.34Å; R189-N191 PolarHBondContact O-N 3.03Å; R189-N191 PolarHBondContact O-ND2 3.19Å; N191-L193 HydrophobicContact CB-CG 4.32Å; N191-N216 WeakPolarHBondContact CA-OD1 3.47Å; N191-N216 WeakPolarHBondContact CB-OD1 3.24Å; N191-N216 PolarHBondContact N-ND2 3Å; N191-N216 PolarHBondContact O-OD1 3.09Å; N191-P217 VanDerWaalsContact O-CD 3.31Å; N191-P217 WeakPolarHBondContact O-CD 3.45Å
192	R	92.6	Very high	88.8	Confident	123 Å²	123	40.9 Å²	40.9	46%	0.464	21%	0.213	S	C	.	.			trans	-109.4	25.6	-176.9	-57.7	-54.1	-168.3	175	5.4	113.2	L170 L171 K194 N216	L170-R192 CarbonylContact O-C 3.2Å; L170-R192 VanDerWaalsContact O-CA 3.27Å; L170-R192 WeakPolarHBondContact O-CA 3.32Å; L170-R192 PolarHBondContact O-N 3.07Å; L171-R192 HydrophobicContact CD2-CB 3.99Å; R192-K194 PolarHBondContact O-N 2.94Å; R192-N216 PolarHBondContact N-OD1 3.08Å
193	L	93.1	Very high	88.7	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.198	C	C	.	.			trans	-67.2	129.5	-178	-58.1	172.9	0	0	0	111.1	L170 L173 L188 N191 M196 N216 P217 W218	L170-L193 HydrophobicContact CB-CD2 4.13Å; L170-L193 PolarHBondContact O-N 2.74Å; L173-L193 HydrophobicContact CG-CD2 4.44Å; L188-L193 HydrophobicContact CB-CD1 4.27Å; L188-L193 HydrophobicContact CD1-CD1 4.29Å; N191-L193 HydrophobicContact CB-CG 4.32Å; L193-M196 HydrophobicContact CD1-CE 4.03Å; L193-N216 HydrophobicContact CB-CB 4.38Å; L193-N216 WeakPolarHBondContact CB-OD1 3.43Å; L193-N216 VanDerWaalsContact CG-OD1 3.28Å; L193-N216 WeakPolarHBondContact CG-OD1 3.29Å; L193-N216 PolarHBondContact N-OD1 3.09Å; L193-P217 CarbonylContact O-C 3.47Å; L193-P217 WeakPolarHBondContact O-CD 3.49Å; L193-W218 HydrophobicContact CB-CH2 3.84Å; L193-W218 HydrophobicContact CB-CZ2 4.32Å; L193-W218 HydrophobicContact CB-CZ3 4.05Å; L193-W218 HydrophobicContact CD1-CH2 4.11Å
194	K	90.3	Very high	88.5	Confident	113 Å²	113	40.2 Å²	40.2	49%	0.491	21%	0.206	S	C	.	.			trans	-105.6	-31.6	178.1	-59.2	-171	177.7	-179	0	113.3	R192 P217 N219	R192-K194 PolarHBondContact O-N 2.94Å; K194-P217 HydrophobicContact CG-CG 4.31Å; K194-N219 HydrophobicContact CB-CB 4.19Å; K194-N219 PolarHBondContact O-N 2.96Å
195	V	90.2	Very high	88.3	Confident	48 Å²	48	38.8 Å²	38.8	29%	0.291	20%	0.197	S	C	.	.			trans	-146.5	149.8	179.8	-68.1	0	0	0	0	109.8	N219 D223 L224	V195-N219 HydrophobicContact CG1-CB 4.46Å; V195-D223 HydrophobicContact CG1-CB 4.14Å; V195-L224 HydrophobicContact CG1-CD1 4.47Å
196	M	90	Very high	87.6	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.01	22%	0.22	C	C	.	.			trans	-128	106.7	172.6	-168.6	169.7	-77.9	0	0	108.5	L173 L188 L193 V201 L202 L213 W218 L227	L173-M196 HydrophobicContact CD1-CE 3.98Å; L188-M196 HydrophobicContact CD1-CE 3.95Å; L193-M196 HydrophobicContact CD1-CE 4.03Å; M196-V201 HydrophobicContact CG-CG1 4.19Å; M196-L202 HydrophobicContact CG-CD1 4.41Å; M196-L202 HydrophobicContact CG-CD2 3.82Å; M196-L202 HydrophobicContact CG-CG 4.05Å; M196-L202 HydrophobicContact SD-CD2 3.46Å; M196-L202 WeakPolarHBondContact SD-CD2 3.13Å; M196-L202 HydrophobicContact SD-CG 4.35Å; M196-L213 HydrophobicContact CE-CD2 3.85Å; M196-W218 HydrophobicContact CB-CH2 4.34Å; M196-W218 HydrophobicContact CB-CZ3 4.09Å; M196-W218 HydrophobicContact CE-CH2 4.16Å; M196-L227 HydrophobicContact CB-CB 4.45Å; M196-L227 HydrophobicContact CB-CD1 4.21Å; M196-L227 HydrophobicContact CB-CD2 4.19Å; M196-L227 HydrophobicContact SD-CD1 4.17Å
197	P	87.3	Confident	86.6	Confident	56 Å²	56	41.8 Å²	41.8	36%	0.364	25%	0.246	S	C	.	.			trans	-74.6	147.8	-176.4	31	-34.7	0	0	0	110.9	V201 L202	P197-V201 HydrophobicContact CG-CB 4.46Å; P197-V201 HydrophobicContact CG-CG2 3.97Å; P197-V201 WeakPolarHBondContact O-CB 3.12Å; P197-L202 PolarHBondContact O-N 3.02Å
198	F	85.9	Confident	86.2	Confident	96 Å²	96	41.8 Å²	41.8	42%	0.421	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-53.4	174.2	-177.3	-84.7	0	0	0	111.4	G200 V201 L202 E203 P226 W230	F198-G200 PolarHBondContact O-N 3.16Å; F198-V201 PolarHBondContact O-N 2.98Å; F198-L202 HydrophobicContact CB-CD1 4.43Å; F198-L202 HydrophobicContact CD2-CB 3.86Å; F198-L202 HydrophobicContact CD2-CD1 4.44Å; F198-L202 HydrophobicContact CE2-CB 4.45Å; F198-L202 HydrophobicContact CG-CB 4.39Å; F198-L202 PolarHBondContact O-N 3.29Å; F198-E203 HydrophobicContact CD1-CB 4.05Å; F198-E203 HydrophobicContact CE1-CB 3.65Å; F198-E203 HydrophobicContact CZ-CB 4.08Å; F198-E203 PolarHBondContact O-N 3.46Å; F198-P226 HydrophobicContact CB-CB 3.57Å; F198-W230 HydrophobicContact CD2-CB 4.42Å
199	A	85.6	Confident	85.2	Confident	69 Å²	69	48.1 Å²	48.1	57%	0.57	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	130.1	175.7	0	0	0	0	0	110.6	V201 E203	A199-V201 VanDerWaalsContact C-N 3.26Å; A199-V201 PolarHBondContact O-N 3.11Å; A199-E203 WeakPolarHBondContact CA-OE2 3.43Å
200	G	83.4	Confident	84.7	Confident	5 Å²	5	47 Å²	47	5%	0.052	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	-20.6	-176.1	0	0	0	0	0	116.4	N176 F198 E203 H204	N176-G200 VanDerWaalsContact CA-O 3.26Å; N176-G200 WeakPolarHBondContact CA-O 3.42Å; N176-G200 PolarHBondContact N-O 3.06Å; F198-G200 PolarHBondContact O-N 3.16Å; G200-E203 VanDerWaalsContact CA-OE1 3.25Å; G200-E203 WeakPolarHBondContact CA-OE1 3.11Å; G200-E203 PolarHBondContact N-OE1 2.84Å; G200-E203 PolarHBondContact N-OE2 3.37Å; G200-H204 PolarHBondContact O-CD2 2.9Å
201	V	89.1	Confident	84.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122	-78.1	-178.1	-174.2	0	0	0	0	111.1	L173 F178 M196 P197 F198 A199 E203 H204 I205	L173-V201 HydrophobicContact CB-CG1 4.45Å; L173-V201 HydrophobicContact CB-CG2 4.35Å; L173-V201 HydrophobicContact CD1-CG1 4.02Å; F178-V201 HydrophobicContact CD2-CG1 4.1Å; F178-V201 HydrophobicContact CE2-CG1 3.95Å; M196-V201 HydrophobicContact CG-CG1 4.19Å; P197-V201 HydrophobicContact CG-CB 4.46Å; P197-V201 HydrophobicContact CG-CG2 3.97Å; P197-V201 WeakPolarHBondContact O-CB 3.12Å; F198-V201 PolarHBondContact O-N 2.98Å; A199-V201 VanDerWaalsContact C-N 3.26Å; A199-V201 PolarHBondContact O-N 3.11Å; V201-E203 PolarHBondContact O-N 3.49Å; V201-H204 PolarHBondContact O-N 2.76Å; V201-H204 VanDerWaalsContact O-N 3.15Å; V201-I205 HydrophobicContact CG1-CD1 4.45Å
202	L	86.7	Confident	84.3	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-63	-26.4	-174.6	-55.1	168.7	0	0	0	113.4	M196 P197 F198 H204 I205 L227 W230	M196-L202 HydrophobicContact CG-CD1 4.41Å; M196-L202 HydrophobicContact CG-CD2 3.82Å; M196-L202 HydrophobicContact CG-CG 4.05Å; M196-L202 HydrophobicContact SD-CD2 3.46Å; M196-L202 WeakPolarHBondContact SD-CD2 3.13Å; M196-L202 HydrophobicContact SD-CG 4.35Å; P197-L202 PolarHBondContact O-N 3.02Å; F198-L202 HydrophobicContact CB-CD1 4.43Å; F198-L202 HydrophobicContact CD2-CB 3.86Å; F198-L202 HydrophobicContact CD2-CD1 4.44Å; F198-L202 HydrophobicContact CE2-CB 4.45Å; F198-L202 HydrophobicContact CG-CB 4.39Å; F198-L202 PolarHBondContact O-N 3.29Å; L202-H204 PolarHBondContact O-N 3.45Å; L202-H204 VanDerWaalsContact O-N 3.15Å; L202-I205 HydrophobicContact CD2-CD1 4.17Å; L202-I205 PolarHBondContact O-N 3.38Å; L202-L227 HydrophobicContact CD1-CB 4.25Å; L202-L227 HydrophobicContact CD1-CD1 3.95Å; L202-L227 HydrophobicContact CD2-CD1 4.15Å; L202-W230 HydrophobicContact CB-CD2 4.29Å; L202-W230 HydrophobicContact CB-CG 4.04Å; L202-W230 HydrophobicContact CD1-CB 3.87Å; L202-W230 HydrophobicContact CD1-CD2 4.28Å; L202-W230 HydrophobicContact CD1-CE3 4.49Å; L202-W230 HydrophobicContact CD1-CG 4.04Å; L202-W230 HydrophobicContact CD2-CD2 3.81Å; L202-W230 HydrophobicContact CD2-CE3 3.82Å; L202-W230 HydrophobicContact CD2-CG 4.33Å; L202-W230 HydrophobicContact CD2-CH2 4.34Å; L202-W230 HydrophobicContact CD2-CZ2 4.34Å; L202-W230 HydrophobicContact CD2-CZ3 4.09Å; L202-W230 HydrophobicContact CG-CD2 4.36Å; L202-W230 HydrophobicContact CG-CG 4.37Å
203	E	87.2	Confident	84.2	Confident	90 Å²	90	41.2 Å²	41.2	42%	0.421	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-60.4	-21.7	177.6	76.1	-171.7	177.5	0	0	113.8	F198 A199 G200 V201	F198-E203 HydrophobicContact CD1-CB 4.05Å; F198-E203 HydrophobicContact CE1-CB 3.65Å; F198-E203 HydrophobicContact CZ-CB 4.08Å; F198-E203 PolarHBondContact O-N 3.46Å; A199-E203 WeakPolarHBondContact CA-OE2 3.43Å; G200-E203 VanDerWaalsContact CA-OE1 3.25Å; G200-E203 WeakPolarHBondContact CA-OE1 3.11Å; G200-E203 PolarHBondContact N-OE1 2.84Å; G200-E203 PolarHBondContact N-OE2 3.37Å; V201-E203 PolarHBondContact O-N 3.49Å
204	H	86.6	Confident	83.8	Confident	50 Å²	50	41.8 Å²	41.8	23%	0.231	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-95.9	-13.3	176.4	-55.3	-72.3	0	0	0	112.6	F178 G200 V201 L202 G206	F178-H204 HydrophobicContact CB-CB 4.19Å; G200-H204 PolarHBondContact O-CD2 2.9Å; V201-H204 PolarHBondContact O-N 2.76Å; V201-H204 VanDerWaalsContact O-N 3.15Å; L202-H204 PolarHBondContact O-N 3.45Å; L202-H204 VanDerWaalsContact O-N 3.15Å; H204-G206 VanDerWaalsContact C-N 3.35Å; H204-G206 PolarHBondContact O-N 2.8Å; H204-G206 VanDerWaalsContact O-N 3.12Å
205	I	83.1	Confident	83.5	Confident	11 Å²	11	40.1 Å²	40.1	6%	0.056	24%	0.244	C	C	.	.			trans	-90	71.5	-178.6	-47.3	-179.4	0	0	0	109.5	F178 L186 V201 L202 I208 W230	F178-I205 HydrophobicContact CD2-CD1 3.75Å; F178-I205 HydrophobicContact CD2-CG1 3.83Å; F178-I205 HydrophobicContact CE2-CD1 3.82Å; F178-I205 HydrophobicContact CE2-CG1 4.4Å; L186-I205 HydrophobicContact CD2-CD1 4.23Å; V201-I205 HydrophobicContact CG1-CD1 4.45Å; L202-I205 HydrophobicContact CD2-CD1 4.17Å; L202-I205 PolarHBondContact O-N 3.38Å; I205-I208 HydrophobicContact CG2-CB 3.88Å; I205-I208 HydrophobicContact CG2-CD1 3.64Å; I205-I208 HydrophobicContact CG2-CG1 4.39Å; I205-I208 HydrophobicContact CG2-CG2 3.89Å; I205-W230 HydrophobicContact CB-CZ2 3.97Å; I205-W230 HydrophobicContact CG2-CH2 4.28Å; I205-W230 HydrophobicContact CG2-CZ2 3.72Å; I205-W230 PolarHBondContact O-NE1 3.16Å
206	G	68.8	Low	83.5	Confident	76 Å²	76	38.2 Å²	38.2	78%	0.784	23%	0.233	S	C	*	.			trans	-104.7	-14.1	-176.6	0	0	0	0	0	116.4	H204	H204-G206 VanDerWaalsContact C-N 3.35Å; H204-G206 PolarHBondContact O-N 2.8Å; H204-G206 VanDerWaalsContact O-N 3.12Å
207	G	71.4	Confident	83.4	Confident	54 Å²	54	39.3 Å²	39.3	56%	0.557	24%	0.24	S	C	*	.	S	Bend	trans	-117.6	21.8	-172.2	0	0	0	0	0	115.1
208	I	79.1	Confident	83.7	Confident	14 Å²	14	36.7 Å²	36.7	7%	0.072	22%	0.223	C	C	.	.			trans	-83.2	136	-166.4	-161.4	154.2	0	0	0	113	T184 L186 I205 E210 I211 W230	T184-I208 WeakPolarHBondContact O-CG1 3.26Å; L186-I208 HydrophobicContact CB-CD1 3.8Å; I205-I208 HydrophobicContact CG2-CB 3.88Å; I205-I208 HydrophobicContact CG2-CD1 3.64Å; I205-I208 HydrophobicContact CG2-CG1 4.39Å; I205-I208 HydrophobicContact CG2-CG2 3.89Å; I208-E210 WeakPolarHBondContact CD1-O 3.34Å; I208-E210 VanDerWaalsContact CG1-O 3.29Å; I208-E210 WeakPolarHBondContact CG1-O 3.28Å; I208-I211 HydrophobicContact CD1-CB 3.73Å; I208-I211 HydrophobicContact CD1-CD1 4.14Å; I208-I211 HydrophobicContact CD1-CG1 4.06Å; I208-I211 HydrophobicContact CG1-CB 4.32Å; I208-W230 HydrophobicContact CG2-CZ2 4.36Å
209	M	71.7	Confident	83.8	Confident	132 Å²	132	34 Å²	34	65%	0.65	21%	0.213	S	C	*	.	S	Bend	trans	-108.2	-20.8	-177.9	-68.1	-64.4	-56.1	0	0	113.3	T184 V236	T184-M209 CarbonylContact O-C 3.24Å; T184-M209 WeakPolarHBondContact O-CA 3.48Å; T184-M209 WeakPolarHBondContact O-CB 2.88Å; T184-M209 PolarHBondContact O-N 3.37Å; M209-V236 WeakPolarHBondContact O-CG1 3.41Å
210	E	76.8	Confident	84	Confident	28 Å²	28	30.8 Å²	30.8	13%	0.131	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	133.3	168	-168.6	170.7	-171.2	0	0	109.2	T184 H185 L186 I208 Q212 R498	T184-E210 PolarHBondContact O-N 2.77Å; H185-E210 WeakPolarHBondContact CA-O 3.49Å; H185-E210 IonicContact CD2-OE2 3.39Å; L186-E210 PolarHBondContact N-O 3.3Å; L186-E210 VanDerWaalsContact N-O 3.09Å; I208-E210 WeakPolarHBondContact CD1-O 3.34Å; I208-E210 VanDerWaalsContact CG1-O 3.29Å; I208-E210 WeakPolarHBondContact CG1-O 3.28Å; E210-Q212 HydrophobicContact CG-CG 4.41Å; E210-Q212 PolarHBondContact OE1-NE2 3.12Å; E210-R498 IonicContact OE1-CZ 2.66Å; E210-R498 IonicContact OE1-NH1 3.04Å; E210-R498 PolarHBondContact OE1-NH1 3.13Å; E210-R498 IonicContact OE1-NH2 2.72Å; E210-R498 IonicContact OE2-CZ 2.68Å; E210-R498 IonicContact OE2-NH1 2.89Å; E210-R498 PolarHBondContact OE2-NH1 3.31Å; E210-R498 IonicContact OE2-NH2 3.66Å; E210-R498 PolarHBondContact OE2-NH2 3.48Å
211	I	86.3	Confident	84.2	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.4	169	-166	175.4	0	0	0	110	L186 I208 L213 W230 I234 F237	L186-I211 HydrophobicContact CB-CG1 4.28Å; L186-I211 HydrophobicContact CD2-CD1 4.21Å; L186-I211 HydrophobicContact CD2-CG1 4.5Å; L186-I211 HydrophobicContact CG-CG1 4.48Å; L186-I211 WeakPolarHBondContact O-CA 3.07Å; I208-I211 HydrophobicContact CD1-CB 3.73Å; I208-I211 HydrophobicContact CD1-CD1 4.14Å; I208-I211 HydrophobicContact CD1-CG1 4.06Å; I208-I211 HydrophobicContact CG1-CB 4.32Å; I211-L213 HydrophobicContact CD1-CD1 4.05Å; I211-L213 HydrophobicContact CD1-CD2 4.31Å; I211-L213 HydrophobicContact CD1-CG 4.22Å; I211-L213 HydrophobicContact CG1-CD1 4.4Å; I211-L213 HydrophobicContact CG1-CD2 4.45Å; I211-L213 HydrophobicContact CG1-CG 4.14Å; I211-W230 HydrophobicContact CD1-CH2 3.65Å; I211-W230 HydrophobicContact CD1-CZ3 4.07Å; I211-W230 HydrophobicContact CG2-CH2 4.22Å; I211-I234 HydrophobicContact CG2-CD1 3.98Å; I211-F237 HydrophobicContact CG2-CB 4.41Å; I211-F237 HydrophobicContact CG2-CD2 3.97Å; I211-F237 VanDerWaalsContact O-CD2 3.24Å; I211-F237 WeakPolarHBondContact O-CD2 3.48Å
212	Q	85.9	Confident	84.2	Confident	19 Å²	19	35.3 Å²	35.3	9%	0.089	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.7	-178.4	-59.8	176.2	-7.4	0	0	109.3	L186 D187 L188 R189 E210 E214	L186-Q212 PolarHBondContact O-N 3.1Å; D187-Q212 HydrophobicContact CB-CB 4.5Å; D187-Q212 PolarHBondContact OD1-OE1 3.18Å; D187-Q212 PolarHBondContact OD2-OE1 2.96Å; D187-Q212 VanDerWaalsContact OD2-OE1 3.12Å; L188-Q212 PolarHBondContact N-O 3.08Å; L188-Q212 VanDerWaalsContact N-O 3.12Å; R189-Q212 HydrophobicContact CG-CB 3.83Å; R189-Q212 VanDerWaalsContact CZ-OE1 3.23Å; E210-Q212 HydrophobicContact CG-CG 4.41Å; E210-Q212 PolarHBondContact OE1-NE2 3.12Å; Q212-E214 WeakPolarHBondContact CA-OE2 3.27Å
213	L	89.4	Confident	84.2	Confident	0 Å²	0	40 Å²	40	0%	0	24%	0.24	C	C	.	.			trans	-144	8.4	-164.2	-69.1	176.9	0	0	0	113.7	L188 M196 I211 W218 L227 F237 I241	L188-L213 HydrophobicContact CB-CD2 4.22Å; L188-L213 HydrophobicContact CD1-CD2 4.11Å; M196-L213 HydrophobicContact CE-CD2 3.85Å; I211-L213 HydrophobicContact CD1-CD1 4.05Å; I211-L213 HydrophobicContact CD1-CD2 4.31Å; I211-L213 HydrophobicContact CD1-CG 4.22Å; I211-L213 HydrophobicContact CG1-CD1 4.4Å; I211-L213 HydrophobicContact CG1-CD2 4.45Å; I211-L213 HydrophobicContact CG1-CG 4.14Å; L213-W218 HydrophobicContact CB-CZ2 4.14Å; L213-W218 HydrophobicContact CD2-CH2 4.43Å; L213-W218 HydrophobicContact CD2-CZ2 4.2Å; L213-W218 PolarHBondContact O-NE1 2.93Å; L213-W218 VanDerWaalsContact O-NE1 3.09Å; L213-L227 HydrophobicContact CD1-CD1 4.46Å; L213-F237 HydrophobicContact CB-CE2 3.99Å; L213-F237 HydrophobicContact CB-CZ 4.47Å; L213-F237 HydrophobicContact CG-CE2 4.44Å; L213-I241 HydrophobicContact CB-CD1 3.99Å; L213-I241 HydrophobicContact CB-CG1 4Å; L213-I241 HydrophobicContact CD1-CD1 3.76Å
214	E	85.5	Confident	84.3	Confident	12 Å²	12	35.8 Å²	35.8	6%	0.056	22%	0.22	C	C	.	.			trans	-69.4	172.7	180	-52.9	96	108	0	0	112.6	R189 G190 Q212 N216 G239	R189-E214 WeakPolarHBondContact CA-O 3.09Å; R189-E214 HydrophobicContact CG-CB 4.18Å; G190-E214 PolarHBondContact N-O 3.32Å; Q212-E214 WeakPolarHBondContact CA-OE2 3.27Å; E214-N216 PolarHBondContact O-N 3.45Å; E214-N216 PolarHBondContact O-ND2 3.38Å; E214-G239 VanDerWaalsContact CD-CA 3.5Å; E214-G239 WeakPolarHBondContact OE1-CA 3.05Å
215	E	84.4	Confident	84.4	Confident	79 Å²	79	34.5 Å²	34.5	37%	0.369	21%	0.214	S	C	.	.	S	Bend	trans	52.6	25.2	177.8	-57.4	-163	-167.1	0	0	115	H405 N431	E215-H405 IonicContact OE1-CE1 3.43Å; E215-H405 IonicContact OE1-NE2 3.25Å; E215-N431 PolarHBondContact OE1-ND2 3.26Å
216	N	90.1	Very high	84.7	Confident	8 Å²	8	36.2 Å²	36.2	4%	0.043	23%	0.226	C	C	.	.			trans	-109.3	141.7	176.8	-85	-96.7	0	0	0	111.5	L188 N191 R192 L193 E214 W218	L188-N216 PolarHBondContact O-ND2 2.92Å; N191-N216 WeakPolarHBondContact CA-OD1 3.47Å; N191-N216 WeakPolarHBondContact CB-OD1 3.24Å; N191-N216 PolarHBondContact N-ND2 3Å; N191-N216 PolarHBondContact O-OD1 3.09Å; R192-N216 PolarHBondContact N-OD1 3.08Å; L193-N216 HydrophobicContact CB-CB 4.38Å; L193-N216 WeakPolarHBondContact CB-OD1 3.43Å; L193-N216 VanDerWaalsContact CG-OD1 3.28Å; L193-N216 WeakPolarHBondContact CG-OD1 3.29Å; L193-N216 PolarHBondContact N-OD1 3.09Å; E214-N216 PolarHBondContact O-N 3.45Å; E214-N216 PolarHBondContact O-ND2 3.38Å; N216-W218 VanDerWaalsContact C-N 3.32Å; N216-W218 HydrophobicContact CB-CD2 4.39Å; N216-W218 HydrophobicContact CB-CZ2 3.88Å; N216-W218 PolarHBondContact O-N 2.95Å
217	P	88.1	Confident	85.6	Confident	25 Å²	25	32.6 Å²	32.6	16%	0.162	19%	0.189	C	C	.	.			trans	-81.5	65.6	-173.6	34.4	-38.2	0	0	0	113.3	N191 L193 K194 N219 E244	N191-P217 VanDerWaalsContact O-CD 3.31Å; N191-P217 WeakPolarHBondContact O-CD 3.45Å; L193-P217 CarbonylContact O-C 3.47Å; L193-P217 WeakPolarHBondContact O-CD 3.49Å; K194-P217 HydrophobicContact CG-CG 4.31Å; P217-N219 PolarHBondContact O-N 3.01Å; P217-E244 HydrophobicContact CB-CB 4.04Å; P217-E244 HydrophobicContact CB-CG 3.96Å
218	W	91.7	Very high	86.4	Confident	1 Å²	1	30.8 Å²	30.8	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	132.4	-171.7	-62	103.9	0	0	0	113.9	L193 M196 L213 N216 L224 L227 I241 E244 T245	L193-W218 HydrophobicContact CB-CH2 3.84Å; L193-W218 HydrophobicContact CB-CZ2 4.32Å; L193-W218 HydrophobicContact CB-CZ3 4.05Å; L193-W218 HydrophobicContact CD1-CH2 4.11Å; M196-W218 HydrophobicContact CB-CH2 4.34Å; M196-W218 HydrophobicContact CB-CZ3 4.09Å; M196-W218 HydrophobicContact CE-CH2 4.16Å; L213-W218 HydrophobicContact CB-CZ2 4.14Å; L213-W218 HydrophobicContact CD2-CH2 4.43Å; L213-W218 HydrophobicContact CD2-CZ2 4.2Å; L213-W218 PolarHBondContact O-NE1 2.93Å; L213-W218 VanDerWaalsContact O-NE1 3.09Å; N216-W218 VanDerWaalsContact C-N 3.32Å; N216-W218 HydrophobicContact CB-CD2 4.39Å; N216-W218 HydrophobicContact CB-CZ2 3.88Å; N216-W218 PolarHBondContact O-N 2.95Å; W218-L224 HydrophobicContact CB-CD2 4.15Å; W218-L224 HydrophobicContact CE3-CD1 3.7Å; W218-L224 HydrophobicContact CZ3-CD1 4.22Å; W218-L227 HydrophobicContact CE3-CD2 4.14Å; W218-L227 HydrophobicContact CH2-CD2 4.15Å; W218-L227 HydrophobicContact CZ3-CD2 3.88Å; W218-I241 HydrophobicContact CD2-CG2 4.1Å; W218-I241 HydrophobicContact CG-CG2 3.88Å; W218-E244 PolarHBondContact O-N 3.42Å; W218-T245 PolarHBondContact O-N 3.44Å; W218-T245 VanDerWaalsContact O-N 3.09Å
219	N	89.6	Confident	86.8	Confident	40 Å²	40	32.7 Å²	32.7	21%	0.214	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	91.9	175.6	175.3	48.8	0	0	0	110.2	K194 V195 P217 T221 T245	K194-N219 HydrophobicContact CB-CB 4.19Å; K194-N219 PolarHBondContact O-N 2.96Å; V195-N219 HydrophobicContact CG1-CB 4.46Å; P217-N219 PolarHBondContact O-N 3.01Å; N219-T221 PolarHBondContact ND2-OG1 3.36Å; N219-T221 VanDerWaalsContact ND2-OG1 3.08Å; N219-T221 PolarHBondContact O-N 2.94Å; N219-T221 WeakPolarHBondContact OD1-CG2 3.42Å; N219-T245 CarbonylContact C-O 3.05Å; N219-T245 WeakPolarHBondContact CA-O 3.39Å; N219-T245 WeakPolarHBondContact CA-OG1 3.39Å; N219-T245 WeakPolarHBondContact CB-OG1 3.39Å; N219-T245 PolarHBondContact OD1-OG1 3.45Å
220	C	88.9	Confident	87.5	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.007	16%	0.156	C	C	.	.			trans	-73.4	57.1	-179.9	-63.5	0	0	0	0	113.3	L224 C243 T245 P246 L249 V254 L257 L262	C220-L224 HydrophobicContact CB-CD2 4.23Å; C220-L224 WeakPolarHBondContact SG-CD2 3.08Å; C220-C243 HydrophobicContact CB-CB 3.83Å; C220-C243 WeakPolarHBondContact CB-SG 3.39Å; C220-C243 WeakPolarHBondContact SG-CA 3.28Å; C220-C243 WeakPolarHBondContact SG-CB 3.31Å; C220-C243 CovalentContact SG-SG 2.02Å; C220-C243 PolarHBondContact SG-SG 3.06Å; C220-T245 WeakPolarHBondContact CA-O 3.13Å; C220-T245 WeakPolarHBondContact CB-O 3.35Å; C220-T245 PolarHBondContact N-O 2.97Å; C220-P246 WeakPolarHBondContact O-CD 3.45Å; C220-L249 HydrophobicContact CB-CB 4.32Å; C220-L249 HydrophobicContact CB-CD1 4.06Å; C220-L249 VanDerWaalsContact O-CD1 3.29Å; C220-L249 WeakPolarHBondContact O-CD1 3.35Å; C220-V254 WeakPolarHBondContact SG-CG2 3.1Å; C220-L257 HydrophobicContact CB-CD1 4.23Å; C220-L262 HydrophobicContact CB-CD2 3.63Å; C220-L262 WeakPolarHBondContact O-CD2 3.49Å
221	T	88.5	Confident	88	Confident	39 Å²	39	26.3 Å²	26.3	24%	0.239	15%	0.152	C	C	.	.	S	Bend	trans	-94.8	-174	164	54.1	0	0	0	0	110.4	N219 D223 L224 L262	N219-T221 PolarHBondContact ND2-OG1 3.36Å; N219-T221 VanDerWaalsContact ND2-OG1 3.08Å; N219-T221 PolarHBondContact O-N 2.94Å; N219-T221 WeakPolarHBondContact OD1-CG2 3.42Å; T221-D223 WeakPolarHBondContact CB-OD2 3.46Å; T221-D223 PolarHBondContact O-N 2.8Å; T221-D223 PolarHBondContact OG1-OD2 2.97Å; T221-L224 PolarHBondContact O-N 2.97Å; T221-L224 VanDerWaalsContact O-N 3.14Å; T221-L262 CarbonylContact C-O 3.51Å
222	C	87.6	Confident	87.8	Confident	60 Å²	60	31.1 Å²	31.1	41%	0.405	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-51.7	-25.8	170.1	-84.2	0	0	0	0	114.1	L224 L225 L262 C263	C222-L224 VanDerWaalsContact C-N 3.26Å; C222-L224 PolarHBondContact O-N 2.99Å; C222-L225 WeakPolarHBondContact O-CB 2.88Å; C222-L225 PolarHBondContact O-N 3.1Å; C222-L262 PolarHBondContact N-O 3Å; C222-L262 VanDerWaalsContact N-O 3.14Å; C222-C263 WeakPolarHBondContact CA-SG 3.34Å; C222-C263 HydrophobicContact CB-CB 4.48Å; C222-C263 WeakPolarHBondContact CB-SG 3.31Å; C222-C263 WeakPolarHBondContact SG-CA 3.43Å; C222-C263 WeakPolarHBondContact SG-CB 3.3Å; C222-C263 CovalentContact SG-SG 2.04Å; C222-C263 PolarHBondContact SG-SG 3.18Å
223	D	87.3	Confident	87.5	Confident	102 Å²	102	35.2 Å²	35.2	55%	0.545	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-73.5	-18.7	-175.5	-44.4	-68.5	0	0	0	112.5	V195 T221 P226	V195-D223 HydrophobicContact CG1-CB 4.14Å; T221-D223 WeakPolarHBondContact CB-OD2 3.46Å; T221-D223 PolarHBondContact O-N 2.8Å; T221-D223 PolarHBondContact OG1-OD2 2.97Å; D223-P226 VanDerWaalsContact O-CD 3.24Å; D223-P226 WeakPolarHBondContact O-CD 3.33Å
224	L	89.9	Confident	86.8	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-90.9	-8.5	174.3	-156.1	68.6	0	0	0	113.3	V195 W218 C220 T221 C222 P226 L227 K228 V254	V195-L224 HydrophobicContact CG1-CD1 4.47Å; W218-L224 HydrophobicContact CB-CD2 4.15Å; W218-L224 HydrophobicContact CE3-CD1 3.7Å; W218-L224 HydrophobicContact CZ3-CD1 4.22Å; C220-L224 HydrophobicContact CB-CD2 4.23Å; C220-L224 WeakPolarHBondContact SG-CD2 3.08Å; T221-L224 PolarHBondContact O-N 2.97Å; T221-L224 VanDerWaalsContact O-N 3.14Å; C222-L224 VanDerWaalsContact C-N 3.26Å; C222-L224 PolarHBondContact O-N 2.99Å; L224-P226 VanDerWaalsContact C-N 3.31Å; L224-L227 HydrophobicContact CD1-CB 4.22Å; L224-L227 HydrophobicContact CD1-CD2 3.76Å; L224-L227 HydrophobicContact CG-CB 4.4Å; L224-L227 HydrophobicContact CG-CD2 4.29Å; L224-L227 WeakPolarHBondContact O-CB 3.23Å; L224-L227 PolarHBondContact O-N 3.04Å; L224-L227 VanDerWaalsContact O-N 3.12Å; L224-K228 PolarHBondContact O-N 3Å; L224-V254 HydrophobicContact CD2-CG1 4.4Å; L224-V254 HydrophobicContact CD2-CG2 3.63Å
225	L	88.4	Confident	85.6	Confident	23 Å²	23	43.4 Å²	43.4	12%	0.12	25%	0.254	C	S	.	.	H	α-helix	trans	-55.5	-34.7	176.3	-176.5	63.4	0	0	0	114.6	C222 K228 A229 R259 L262	C222-L225 WeakPolarHBondContact O-CB 2.88Å; C222-L225 PolarHBondContact O-N 3.1Å; L225-K228 PolarHBondContact O-N 3.1Å; L225-A229 WeakPolarHBondContact O-CB 3.2Å; L225-A229 PolarHBondContact O-N 2.7Å; L225-R259 HydrophobicContact CD1-CB 3.97Å; L225-R259 HydrophobicContact CD1-CG 3.78Å; L225-R259 HydrophobicContact CD2-CG 3.92Å; L225-L262 HydrophobicContact CD1-CD1 4.25Å
226	P	88.5	Confident	84.3	Confident	47 Å²	47	41.8 Å²	41.8	31%	0.305	25%	0.249	S	C	.	.	H	α-helix	trans	-67	-37.2	175.7	-17.1	31.5	0	0	0	112.5	F198 D223 L224 A229 W230	F198-P226 HydrophobicContact CB-CB 3.57Å; D223-P226 VanDerWaalsContact O-CD 3.24Å; D223-P226 WeakPolarHBondContact O-CD 3.33Å; L224-P226 VanDerWaalsContact C-N 3.31Å; P226-A229 PolarHBondContact O-N 2.86Å; P226-W230 WeakPolarHBondContact O-CB 3.43Å; P226-W230 PolarHBondContact O-N 2.68Å; P226-W230 VanDerWaalsContact O-N 3.1Å
227	L	89.3	Confident	82.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-48.4	172.3	178	63.9	0	0	0	110.5	M196 L202 L213 W218 L224 A229 W230 L231	M196-L227 HydrophobicContact CB-CB 4.45Å; M196-L227 HydrophobicContact CB-CD1 4.21Å; M196-L227 HydrophobicContact CB-CD2 4.19Å; M196-L227 HydrophobicContact SD-CD1 4.17Å; L202-L227 HydrophobicContact CD1-CB 4.25Å; L202-L227 HydrophobicContact CD1-CD1 3.95Å; L202-L227 HydrophobicContact CD2-CD1 4.15Å; L213-L227 HydrophobicContact CD1-CD1 4.46Å; W218-L227 HydrophobicContact CE3-CD2 4.14Å; W218-L227 HydrophobicContact CH2-CD2 4.15Å; W218-L227 HydrophobicContact CZ3-CD2 3.88Å; L224-L227 HydrophobicContact CD1-CB 4.22Å; L224-L227 HydrophobicContact CD1-CD2 3.76Å; L224-L227 HydrophobicContact CG-CB 4.4Å; L224-L227 HydrophobicContact CG-CD2 4.29Å; L224-L227 WeakPolarHBondContact O-CB 3.23Å; L224-L227 PolarHBondContact O-N 3.04Å; L224-L227 VanDerWaalsContact O-N 3.12Å; L227-A229 VanDerWaalsContact C-N 3.32Å; L227-A229 PolarHBondContact O-N 3.03Å; L227-W230 HydrophobicContact CD1-CE3 4.06Å; L227-W230 HydrophobicContact CD1-CZ3 4.47Å; L227-W230 PolarHBondContact O-N 2.66Å; L227-W230 VanDerWaalsContact O-N 3.1Å; L227-L231 HydrophobicContact CD1-CD1 4.26Å; L227-L231 HydrophobicContact CD1-CG 4.13Å; L227-L231 HydrophobicContact CD2-CD1 4.46Å; L227-L231 HydrophobicContact CG-CD1 3.87Å; L227-L231 HydrophobicContact CG-CG 4.23Å; L227-L231 VanDerWaalsContact O-CG 3.3Å; L227-L231 WeakPolarHBondContact O-CG 3.39Å; L227-L231 PolarHBondContact O-N 2.98Å
228	K	88.1	Confident	81	Confident	16 Å²	16	44.2 Å²	44.2	7%	0.07	26%	0.261	C	S	.	.	H	α-helix	trans	-55.4	-46.2	175.7	176.9	52.9	163.3	110.8	0	112.4	L224 L225 W230 L231 D232 V254 T255 L257 L262	L224-K228 PolarHBondContact O-N 3Å; L225-K228 PolarHBondContact O-N 3.1Å; K228-W230 VanDerWaalsContact C-N 3.26Å; K228-W230 PolarHBondContact O-N 3.01Å; K228-L231 PolarHBondContact O-N 3.07Å; K228-D232 IonicContact NZ-OD1 2.69Å; K228-D232 PolarHBondContact NZ-OD1 3.06Å; K228-D232 IonicContact NZ-OD2 2.66Å; K228-D232 PolarHBondContact NZ-OD2 2.89Å; K228-D232 VanDerWaalsContact O-CG 3.28Å; K228-D232 PolarHBondContact O-N 2.9Å; K228-V254 HydrophobicContact CB-CG1 4.12Å; K228-V254 HydrophobicContact CD-CG1 4.14Å; K228-V254 VanDerWaalsContact CD-O 3.22Å; K228-V254 WeakPolarHBondContact CD-O 3.4Å; K228-V254 WeakPolarHBondContact CE-O 3.24Å; K228-T255 WeakPolarHBondContact CE-O 3.39Å; K228-T255 PolarHBondContact NZ-O 2.97Å; K228-L257 WeakPolarHBondContact CE-O 3.38Å; K228-L262 HydrophobicContact CB-CD1 3.94Å; K228-L262 HydrophobicContact CG-CD1 4.13Å
229	A	86.4	Confident	79.5	Confident	55 Å²	55	44.5 Å²	44.5	46%	0.455	26%	0.264	S	S	.	.	H	α-helix	trans	-65.7	-27.5	179.3	0	0	0	0	0	113.5	L225 P226 L227	L225-A229 WeakPolarHBondContact O-CB 3.2Å; L225-A229 PolarHBondContact O-N 2.7Å; P226-A229 PolarHBondContact O-N 2.86Å; L227-A229 VanDerWaalsContact C-N 3.32Å; L227-A229 PolarHBondContact O-N 3.03Å
230	W	87.4	Confident	78.5	Confident	15 Å²	15	42.9 Å²	42.9	6%	0.057	26%	0.255	C	S	.	.	H	α-helix	trans	-80.9	-41.6	174.4	178	85.2	0	0	0	112.1	F198 L202 I205 I208 I211 P226 L227 K228 D232 T233 I234	F198-W230 HydrophobicContact CD2-CB 4.42Å; L202-W230 HydrophobicContact CB-CD2 4.29Å; L202-W230 HydrophobicContact CB-CG 4.04Å; L202-W230 HydrophobicContact CD1-CB 3.87Å; L202-W230 HydrophobicContact CD1-CD2 4.28Å; L202-W230 HydrophobicContact CD1-CE3 4.49Å; L202-W230 HydrophobicContact CD1-CG 4.04Å; L202-W230 HydrophobicContact CD2-CD2 3.81Å; L202-W230 HydrophobicContact CD2-CE3 3.82Å; L202-W230 HydrophobicContact CD2-CG 4.33Å; L202-W230 HydrophobicContact CD2-CH2 4.34Å; L202-W230 HydrophobicContact CD2-CZ2 4.34Å; L202-W230 HydrophobicContact CD2-CZ3 4.09Å; L202-W230 HydrophobicContact CG-CD2 4.36Å; L202-W230 HydrophobicContact CG-CG 4.37Å; I205-W230 HydrophobicContact CB-CZ2 3.97Å; I205-W230 HydrophobicContact CG2-CH2 4.28Å; I205-W230 HydrophobicContact CG2-CZ2 3.72Å; I205-W230 PolarHBondContact O-NE1 3.16Å; I208-W230 HydrophobicContact CG2-CZ2 4.36Å; I211-W230 HydrophobicContact CD1-CH2 3.65Å; I211-W230 HydrophobicContact CD1-CZ3 4.07Å; I211-W230 HydrophobicContact CG2-CH2 4.22Å; P226-W230 WeakPolarHBondContact O-CB 3.43Å; P226-W230 PolarHBondContact O-N 2.68Å; P226-W230 VanDerWaalsContact O-N 3.1Å; L227-W230 HydrophobicContact CD1-CE3 4.06Å; L227-W230 HydrophobicContact CD1-CZ3 4.47Å; L227-W230 PolarHBondContact O-N 2.66Å; L227-W230 VanDerWaalsContact O-N 3.1Å; K228-W230 VanDerWaalsContact C-N 3.26Å; K228-W230 PolarHBondContact O-N 3.01Å; W230-D232 PolarHBondContact O-N 3.38Å; W230-T233 WeakPolarHBondContact O-CA 3.45Å; W230-T233 PolarHBondContact O-N 2.99Å; W230-T233 PolarHBondContact O-OG1 2.91Å; W230-I234 HydrophobicContact CE3-CD1 4.17Å; W230-I234 HydrophobicContact CH2-CD1 3.66Å; W230-I234 HydrophobicContact CZ2-CD1 4.29Å; W230-I234 HydrophobicContact CZ2-CG2 4.37Å; W230-I234 HydrophobicContact CZ3-CD1 3.59Å; W230-I234 HydrophobicContact CZ3-CG1 4.46Å; W230-I234 PolarHBondContact O-N 3.34Å
231	L	85.6	Confident	78.3	Confident	11 Å²	11	42.8 Å²	42.8	6%	0.058	25%	0.254	C	S	.	.	H	α-helix	trans	-55.3	-40.7	172.1	-69.6	167.2	0	0	0	111.3	L227 K228 T233 I234 F237 I241 V254	L227-L231 HydrophobicContact CD1-CD1 4.26Å; L227-L231 HydrophobicContact CD1-CG 4.13Å; L227-L231 HydrophobicContact CD2-CD1 4.46Å; L227-L231 HydrophobicContact CG-CD1 3.87Å; L227-L231 HydrophobicContact CG-CG 4.23Å; L227-L231 VanDerWaalsContact O-CG 3.3Å; L227-L231 WeakPolarHBondContact O-CG 3.39Å; L227-L231 PolarHBondContact O-N 2.98Å; K228-L231 PolarHBondContact O-N 3.07Å; L231-T233 PolarHBondContact O-N 2.9Å; L231-T233 VanDerWaalsContact O-N 3.11Å; L231-I234 HydrophobicContact CD2-CD1 4.38Å; L231-I234 PolarHBondContact O-N 3.33Å; L231-F237 HydrophobicContact CD2-CG 4.42Å; L231-I241 HydrophobicContact CD1-CD1 3.53Å; L231-I241 HydrophobicContact CD2-CD1 3.62Å; L231-I241 HydrophobicContact CG-CD1 4.22Å; L231-V254 HydrophobicContact CD1-CG1 4Å
232	D	82.1	Confident	78	Confident	100 Å²	100	42.1 Å²	42.1	54%	0.535	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-6.9	175.7	-70	-15.8	0	0	0	114.4	K228 W230	K228-D232 IonicContact NZ-OD1 2.69Å; K228-D232 PolarHBondContact NZ-OD1 3.06Å; K228-D232 IonicContact NZ-OD2 2.66Å; K228-D232 PolarHBondContact NZ-OD2 2.89Å; K228-D232 VanDerWaalsContact O-CG 3.28Å; K228-D232 PolarHBondContact O-N 2.9Å; W230-D232 PolarHBondContact O-N 3.38Å
233	T	80.4	Confident	77.9	Confident	106 Å²	106	39.2 Å²	39.2	65%	0.65	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-10	174.6	61.7	0	0	0	0	114.4	W230 L231	W230-T233 WeakPolarHBondContact O-CA 3.45Å; W230-T233 PolarHBondContact O-N 2.99Å; W230-T233 PolarHBondContact O-OG1 2.91Å; L231-T233 PolarHBondContact O-N 2.9Å; L231-T233 VanDerWaalsContact O-N 3.11Å
234	I	74.4	Confident	77.7	Confident	37 Å²	37	37.9 Å²	37.9	19%	0.19	22%	0.221	C	C	.	.			trans	-110.6	135.9	179.8	60.6	160.7	0	0	0	111.8	I211 W230 L231 V236 F237	I211-I234 HydrophobicContact CG2-CD1 3.98Å; W230-I234 HydrophobicContact CE3-CD1 4.17Å; W230-I234 HydrophobicContact CH2-CD1 3.66Å; W230-I234 HydrophobicContact CZ2-CD1 4.29Å; W230-I234 HydrophobicContact CZ2-CG2 4.37Å; W230-I234 HydrophobicContact CZ3-CD1 3.59Å; W230-I234 HydrophobicContact CZ3-CG1 4.46Å; W230-I234 PolarHBondContact O-N 3.34Å; L231-I234 HydrophobicContact CD2-CD1 4.38Å; L231-I234 PolarHBondContact O-N 3.33Å; I234-V236 VanDerWaalsContact C-N 3.34Å; I234-F237 HydrophobicContact CD1-CB 4.08Å
235	T	60.4	Low	77.1	Confident	147 Å²	147	40.5 Å²	40.5	90%	0.902	24%	0.237	S	C	*	.	S	Bend	trans	-100.1	21.9	175.9	60.4	0	0	0	0	112.3
236	V	57.8	Low	76.6	Confident	44 Å²	44	41.9 Å²	41.9	27%	0.267	25%	0.247	S	C	.	.			trans	-127.2	-1.1	-155.3	-175.2	0	0	0	0	112.1	M209 I234	M209-V236 WeakPolarHBondContact O-CG1 3.41Å; I234-V236 VanDerWaalsContact C-N 3.34Å
237	F	57.3	Low	75.8	Confident	39 Å²	39	46.6 Å²	46.6	17%	0.171	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-82.2	128	175.4	177.2	-114.9	0	0	0	111.2	I211 L213 L231 I234 G239 I241	I211-F237 HydrophobicContact CG2-CB 4.41Å; I211-F237 HydrophobicContact CG2-CD2 3.97Å; I211-F237 VanDerWaalsContact O-CD2 3.24Å; I211-F237 WeakPolarHBondContact O-CD2 3.48Å; L213-F237 HydrophobicContact CB-CE2 3.99Å; L213-F237 HydrophobicContact CB-CZ 4.47Å; L213-F237 HydrophobicContact CG-CE2 4.44Å; L231-F237 HydrophobicContact CD2-CG 4.42Å; I234-F237 HydrophobicContact CD1-CB 4.08Å; F237-G239 VanDerWaalsContact CE1-C 3.41Å; F237-G239 WeakPolarHBondContact CE1-O 3.47Å; F237-G239 VanDerWaalsContact CZ-CA 3.5Å; F237-I241 HydrophobicContact CD1-CD1 4.37Å; F237-I241 HydrophobicContact CE1-CD1 3.84Å; F237-I241 HydrophobicContact CE1-CG1 3.75Å; F237-I241 HydrophobicContact CE2-CD1 4.09Å; F237-I241 HydrophobicContact CE2-CG1 4.2Å; F237-I241 HydrophobicContact CZ-CD1 3.71Å; F237-I241 HydrophobicContact CZ-CG1 3.45Å; F237-I241 VanDerWaalsContact CZ-CG1 3.45Å
238	V	52	Low	75.1	Confident	46 Å²	46	57 Å²	57	28%	0.279	30%	0.302	S	S	.	.			trans	-120	105.5	173.5	-178.2	0	0	0	0	107.7	Y451 L475	V238-Y451 HydrophobicContact CG1-CE1 3.85Å; V238-L475 HydrophobicContact CG1-CD1 4.02Å
239	G	60	Low	74.6	Confident	7 Å²	7	56.9 Å²	56.9	7%	0.072	30%	0.303	C	S	.	.	S	Bend	trans	160.4	-167.5	-178.8	0	0	0	0	0	113	E214 F237	E214-G239 VanDerWaalsContact CD-CA 3.5Å; E214-G239 WeakPolarHBondContact OE1-CA 3.05Å; F237-G239 VanDerWaalsContact CE1-C 3.41Å; F237-G239 WeakPolarHBondContact CE1-O 3.47Å; F237-G239 VanDerWaalsContact CZ-CA 3.5Å
240	E	68	Low	74.2	Confident	5 Å²	5	54.9 Å²	54.9	2%	0.023	28%	0.284	C	S	.	.			trans	-133	129.3	165.8	-65.7	-153	-179.4	0	0	111.9	V242 K379 Y381 L403 R427	E240-V242 HydrophobicContact CB-CG2 4.27Å; E240-V242 PolarHBondContact O-N 2.99Å; E240-K379 WeakPolarHBondContact OE1-CE 3.19Å; E240-K379 IonicContact OE1-NZ 2.59Å; E240-K379 PolarHBondContact OE1-NZ 3.18Å; E240-K379 WeakPolarHBondContact OE2-CD 3.44Å; E240-K379 WeakPolarHBondContact OE2-CE 3.28Å; E240-K379 IonicContact OE2-NZ 2.75Å; E240-K379 PolarHBondContact OE2-NZ 3.25Å; E240-Y381 PolarHBondContact OE2-OH 2.85Å; E240-L403 HydrophobicContact CG-CD1 4.08Å; E240-L403 WeakPolarHBondContact OE1-CD1 3.27Å; E240-R427 IonicContact OE1-CZ 2.76Å; E240-R427 IonicContact OE1-NH1 2.65Å; E240-R427 PolarHBondContact OE1-NH1 3.3Å
241	I	84.4	Confident	73.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.281	C	S	.	.			trans	-99.6	91.3	-178.8	-64	173.3	0	0	0	107.2	L213 W218 L231 F237 D253 V254	L213-I241 HydrophobicContact CB-CD1 3.99Å; L213-I241 HydrophobicContact CB-CG1 4Å; L213-I241 HydrophobicContact CD1-CD1 3.76Å; W218-I241 HydrophobicContact CD2-CG2 4.1Å; W218-I241 HydrophobicContact CG-CG2 3.88Å; L231-I241 HydrophobicContact CD1-CD1 3.53Å; L231-I241 HydrophobicContact CD2-CD1 3.62Å; L231-I241 HydrophobicContact CG-CD1 4.22Å; F237-I241 HydrophobicContact CD1-CD1 4.37Å; F237-I241 HydrophobicContact CE1-CD1 3.84Å; F237-I241 HydrophobicContact CE1-CG1 3.75Å; F237-I241 HydrophobicContact CE2-CD1 4.09Å; F237-I241 HydrophobicContact CE2-CG1 4.2Å; F237-I241 HydrophobicContact CZ-CD1 3.71Å; F237-I241 HydrophobicContact CZ-CG1 3.45Å; F237-I241 VanDerWaalsContact CZ-CG1 3.45Å; I241-D253 WeakPolarHBondContact O-CA 3.43Å; I241-V254 HydrophobicContact CB-CB 4.1Å; I241-V254 HydrophobicContact CB-CG2 4.39Å; I241-V254 HydrophobicContact CG2-CB 3.75Å; I241-V254 HydrophobicContact CG2-CG1 4.38Å; I241-V254 HydrophobicContact CG2-CG2 3.64Å; I241-V254 WeakPolarHBondContact O-CG2 3.33Å; I241-V254 PolarHBondContact O-N 2.94Å
242	V	83.4	Confident	72.7	Confident	24 Å²	24	55 Å²	55	15%	0.145	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-86.1	127.2	-171.9	-179.2	0	0	0	0	111	E240 E244 Y381	E240-V242 HydrophobicContact CB-CG2 4.27Å; E240-V242 PolarHBondContact O-N 2.99Å; V242-E244 PolarHBondContact O-N 2.72Å; V242-Y381 HydrophobicContact CG2-CE1 3.85Å; V242-Y381 VanDerWaalsContact CG2-OH 3.28Å; V242-Y381 WeakPolarHBondContact CG2-OH 3.48Å
243	C	84.1	Confident	72.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	127.8	169.9	-63.2	0	0	0	0	111.1	C220 L249 H250 G251 K252	C220-C243 HydrophobicContact CB-CB 3.83Å; C220-C243 WeakPolarHBondContact CB-SG 3.39Å; C220-C243 WeakPolarHBondContact SG-CA 3.28Å; C220-C243 WeakPolarHBondContact SG-CB 3.31Å; C220-C243 CovalentContact SG-SG 2.02Å; C220-C243 PolarHBondContact SG-SG 3.06Å; C243-L249 HydrophobicContact CB-CB 4.4Å; C243-L249 WeakPolarHBondContact CB-O 3.36Å; C243-H250 CarbonylContact O-C 3.2Å; C243-H250 VanDerWaalsContact O-CA 3.28Å; C243-H250 WeakPolarHBondContact O-CA 3.43Å; C243-G251 PolarHBondContact O-N 3.43Å; C243-K252 WeakPolarHBondContact CB-O 3.38Å; C243-K252 PolarHBondContact N-O 3.34Å; C243-K252 PolarHBondContact SG-O 3Å
244	E	84.3	Confident	72.9	Confident	74 Å²	74	45.4 Å²	45.4	35%	0.346	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-41.4	167.6	175.2	56.4	-158	0	0	110.4	P217 W218 V242 H250	P217-E244 HydrophobicContact CB-CB 4.04Å; P217-E244 HydrophobicContact CB-CG 3.96Å; W218-E244 PolarHBondContact O-N 3.42Å; V242-E244 PolarHBondContact O-N 2.72Å; E244-H250 PolarHBondContact O-CD2 3.2Å
245	T	76	Confident	73.2	Confident	55 Å²	55	46.1 Å²	46.1	34%	0.337	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	156.2	178.6	41.6	0	0	0	0	111.2	W218 N219 C220	W218-T245 PolarHBondContact O-N 3.44Å; W218-T245 VanDerWaalsContact O-N 3.09Å; N219-T245 CarbonylContact C-O 3.05Å; N219-T245 WeakPolarHBondContact CA-O 3.39Å; N219-T245 WeakPolarHBondContact CA-OG1 3.39Å; N219-T245 WeakPolarHBondContact CB-OG1 3.39Å; N219-T245 PolarHBondContact OD1-OG1 3.45Å; C220-T245 WeakPolarHBondContact CA-O 3.13Å; C220-T245 WeakPolarHBondContact CB-O 3.35Å; C220-T245 PolarHBondContact N-O 2.97Å
246	P	78.6	Confident	74.2	Confident	51 Å²	51	42.9 Å²	42.9	33%	0.331	21%	0.21	S	C	.	.	S	Bend	cis	-74.8	163	-12.8	34.1	-36.1	0	0	0	112	C220 R248 L249 H250	C220-P246 WeakPolarHBondContact O-CD 3.45Å; P246-R248 PolarHBondContact O-N 2.88Å; P246-L249 PolarHBondContact O-N 3.28Å; P246-H250 PolarHBondContact O-N 3.48Å; P246-H250 VanDerWaalsContact O-N 3.08Å
247	F	71.4	Confident	75.3	Confident	147 Å²	147	41 Å²	41	65%	0.645	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-44.7	-32.5	-179.1	-176.2	-87.1	0	0	0	115.7	L249 V345	F247-L249 PolarHBondContact O-N 3.17Å; F247-V345 HydrophobicContact CD1-CG1 4.31Å; F247-V345 HydrophobicContact CD2-CG1 3.95Å; F247-V345 HydrophobicContact CD2-CG2 4Å; F247-V345 HydrophobicContact CE1-CG1 4.1Å; F247-V345 HydrophobicContact CE2-CB 4.24Å; F247-V345 HydrophobicContact CE2-CG1 3.74Å; F247-V345 HydrophobicContact CE2-CG2 3.51Å; F247-V345 HydrophobicContact CG-CG1 4.24Å; F247-V345 HydrophobicContact CZ-CG1 3.82Å; F247-V345 HydrophobicContact CZ-CG2 4.17Å
248	R	75.9	Confident	76.5	Confident	217 Å²	217	42.8 Å²	42.8	82%	0.819	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.6	177.9	-66.2	-177.2	179.6	175.1	-0.8	114.6	P246	P246-R248 PolarHBondContact O-N 2.88Å
249	L	77.8	Confident	78	Confident	14 Å²	14	49 Å²	49	7%	0.073	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-8.8	-177.4	-59.5	175.7	0	0	0	112	C220 C243 P246 F247 G251 K252 L257 D261 L262	C220-L249 HydrophobicContact CB-CB 4.32Å; C220-L249 HydrophobicContact CB-CD1 4.06Å; C220-L249 VanDerWaalsContact O-CD1 3.29Å; C220-L249 WeakPolarHBondContact O-CD1 3.35Å; C243-L249 HydrophobicContact CB-CB 4.4Å; C243-L249 WeakPolarHBondContact CB-O 3.36Å; P246-L249 PolarHBondContact O-N 3.28Å; F247-L249 PolarHBondContact O-N 3.17Å; L249-G251 PolarHBondContact O-N 3.38Å; L249-K252 HydrophobicContact CD2-CD 4.02Å; L249-K252 WeakPolarHBondContact O-CB 3.42Å; L249-K252 WeakPolarHBondContact O-CG 3.28Å; L249-K252 PolarHBondContact O-N 3.19Å; L249-L257 HydrophobicContact CD1-CD1 4.31Å; L249-L257 HydrophobicContact CD2-CD2 4.04Å; L249-D261 HydrophobicContact CD2-CB 4.26Å; L249-L262 HydrophobicContact CD1-CD2 4.49Å
250	H	77.4	Confident	79.1	Confident	13 Å²	13	56 Å²	56	6%	0.06	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.6	131.1	174.6	177.9	-59.6	0	0	0	111.9	C243 E244 P246 K252 V345 T347 N358	C243-H250 CarbonylContact O-C 3.2Å; C243-H250 VanDerWaalsContact O-CA 3.28Å; C243-H250 WeakPolarHBondContact O-CA 3.43Å; E244-H250 PolarHBondContact O-CD2 3.2Å; P246-H250 PolarHBondContact O-N 3.48Å; P246-H250 VanDerWaalsContact O-N 3.08Å; H250-K252 VanDerWaalsContact C-N 3.3Å; H250-K252 PolarHBondContact O-N 3.48Å; H250-V345 HydrophobicContact CB-CG1 3.96Å; H250-T347 VanDerWaalsContact O-CG2 3.25Å; H250-T347 WeakPolarHBondContact O-CG2 3.23Å; H250-T347 PolarHBondContact O-OG1 3.49Å; H250-N358 PolarHBondContact CE1-ND2 3.12Å; H250-N358 PolarHBondContact CE1-OD1 2.86Å
251	G	69.6	Low	79.7	Confident	0 Å²	0	58 Å²	58	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	-25.8	-170.8	0	0	0	0	0	115.4	C243 L249 N356	C243-G251 PolarHBondContact O-N 3.43Å; L249-G251 PolarHBondContact O-N 3.38Å; G251-N356 PolarHBondContact O-ND2 2.94Å; G251-N356 PolarHBondContact O-OD1 3.09Å
252	K	71.5	Confident	79.7	Confident	28 Å²	28	58.3 Å²	58.3	12%	0.122	27%	0.274	C	S	.	.			trans	-65.9	141.5	-178.9	-66	-162.8	170.4	-161.4	0	111.7	C243 L249 H250 L257 T347 S348	C243-K252 WeakPolarHBondContact CB-O 3.38Å; C243-K252 PolarHBondContact N-O 3.34Å; C243-K252 PolarHBondContact SG-O 3Å; L249-K252 HydrophobicContact CD2-CD 4.02Å; L249-K252 WeakPolarHBondContact O-CB 3.42Å; L249-K252 WeakPolarHBondContact O-CG 3.28Å; L249-K252 PolarHBondContact O-N 3.19Å; H250-K252 VanDerWaalsContact C-N 3.3Å; H250-K252 PolarHBondContact O-N 3.48Å; K252-L257 HydrophobicContact CB-CD2 3.92Å; K252-L257 HydrophobicContact CD-CD2 3.45Å; K252-L257 VanDerWaalsContact CD-CD2 3.45Å; K252-L257 HydrophobicContact CG-CD2 4.32Å; K252-T347 HydrophobicContact CG-CG2 4.23Å; K252-T347 WeakPolarHBondContact CG-OG1 3.42Å; K252-S348 WeakPolarHBondContact CE-O 3.46Å; K252-S348 PolarHBondContact NZ-O 3.32Å
253	D	81.3	Confident	79.8	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.027	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-76	123.3	171	174.1	-10.6	0	0	0	109.5	I241 T255 Q256 K379	I241-D253 WeakPolarHBondContact O-CA 3.43Å; D253-T255 PolarHBondContact O-N 3.38Å; D253-T255 WeakPolarHBondContact OD1-CB 3.16Å; D253-T255 PolarHBondContact OD1-N 2.92Å; D253-T255 PolarHBondContact OD1-OG1 3.05Å; D253-T255 PolarHBondContact OD2-OG1 3.35Å; D253-Q256 HydrophobicContact CB-CB 4.39Å; D253-Q256 HydrophobicContact CB-CG 3.89Å; D253-Q256 WeakPolarHBondContact O-CB 3.28Å; D253-Q256 PolarHBondContact O-N 3.01Å; D253-Q256 PolarHBondContact OD2-NE2 3.46Å; D253-Q256 VanDerWaalsContact OD2-NE2 3.08Å; D253-K379 IonicContact OD2-NZ 3.23Å; D253-K379 PolarHBondContact OD2-NZ 2.76Å
254	V	85.6	Confident	79.6	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-55.3	-37.9	-178.4	167.2	0	0	0	0	111.8	C220 L224 K228 L231 I241 Q256 L257	C220-V254 WeakPolarHBondContact SG-CG2 3.1Å; L224-V254 HydrophobicContact CD2-CG1 4.4Å; L224-V254 HydrophobicContact CD2-CG2 3.63Å; K228-V254 HydrophobicContact CB-CG1 4.12Å; K228-V254 HydrophobicContact CD-CG1 4.14Å; K228-V254 VanDerWaalsContact CD-O 3.22Å; K228-V254 WeakPolarHBondContact CD-O 3.4Å; K228-V254 WeakPolarHBondContact CE-O 3.24Å; L231-V254 HydrophobicContact CD1-CG1 4Å; I241-V254 HydrophobicContact CB-CB 4.1Å; I241-V254 HydrophobicContact CB-CG2 4.39Å; I241-V254 HydrophobicContact CG2-CB 3.75Å; I241-V254 HydrophobicContact CG2-CG1 4.38Å; I241-V254 HydrophobicContact CG2-CG2 3.64Å; I241-V254 WeakPolarHBondContact O-CG2 3.33Å; I241-V254 PolarHBondContact O-N 2.94Å; V254-Q256 PolarHBondContact O-N 3.16Å; V254-L257 PolarHBondContact O-N 2.97Å; V254-L257 VanDerWaalsContact O-N 3.14Å
255	T	81.6	Confident	78.9	Confident	53 Å²	53	70.8 Å²	70.8	33%	0.325	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-61.7	-27.5	-179.9	68	0	0	0	0	112.2	K228 D253	K228-T255 WeakPolarHBondContact CE-O 3.39Å; K228-T255 PolarHBondContact NZ-O 2.97Å; D253-T255 PolarHBondContact O-N 3.38Å; D253-T255 WeakPolarHBondContact OD1-CB 3.16Å; D253-T255 PolarHBondContact OD1-N 2.92Å; D253-T255 PolarHBondContact OD1-OG1 3.05Å; D253-T255 PolarHBondContact OD2-OG1 3.35Å
256	Q	79.9	Confident	77.7	Confident	78 Å²	78	77.8 Å²	77.8	36%	0.364	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-90.5	-7.5	-177.3	-52.7	-177.6	0.9	0	0	113.2	D253 V254 K379	D253-Q256 HydrophobicContact CB-CB 4.39Å; D253-Q256 HydrophobicContact CB-CG 3.89Å; D253-Q256 WeakPolarHBondContact O-CB 3.28Å; D253-Q256 PolarHBondContact O-N 3.01Å; D253-Q256 PolarHBondContact OD2-NE2 3.46Å; D253-Q256 VanDerWaalsContact OD2-NE2 3.08Å; V254-Q256 PolarHBondContact O-N 3.16Å; Q256-K379 VanDerWaalsContact NE2-NZ 3.1Å
257	L	81.6	Confident	76	Confident	6 Å²	6	80 Å²	80	3%	0.031	37%	0.374	C	S	.	.			trans	-80.5	142.3	177.5	-64.5	-176.7	0	0	0	112.1	C220 K228 L249 K252 V254 D261 L262	C220-L257 HydrophobicContact CB-CD1 4.23Å; K228-L257 WeakPolarHBondContact CE-O 3.38Å; L249-L257 HydrophobicContact CD1-CD1 4.31Å; L249-L257 HydrophobicContact CD2-CD2 4.04Å; K252-L257 HydrophobicContact CB-CD2 3.92Å; K252-L257 HydrophobicContact CD-CD2 3.45Å; K252-L257 VanDerWaalsContact CD-CD2 3.45Å; K252-L257 HydrophobicContact CG-CD2 4.32Å; V254-L257 PolarHBondContact O-N 2.97Å; V254-L257 VanDerWaalsContact O-N 3.14Å; L257-D261 HydrophobicContact CB-CB 4.41Å; L257-D261 HydrophobicContact CD2-CB 4.12Å; L257-L262 HydrophobicContact CB-CD1 4.49Å; L257-L262 HydrophobicContact CB-CG 4.28Å; L257-L262 HydrophobicContact CD1-CD2 3.6Å; L257-L262 HydrophobicContact CD1-CG 3.97Å
258	T	82.7	Confident	74.7	Confident	75 Å²	75	77.6 Å²	77.6	46%	0.46	38%	0.381	S	S	.	.			trans	-84	162.4	167.1	79.6	0	0	0	0	110.7	Q260 D261 L262	T258-Q260 PolarHBondContact O-N 2.97Å; T258-Q260 PolarHBondContact OG1-N 2.88Å; T258-Q260 VanDerWaalsContact OG1-N 3.1Å; T258-D261 WeakPolarHBondContact CA-OD2 3.29Å; T258-D261 VanDerWaalsContact CB-OD2 3.23Å; T258-D261 WeakPolarHBondContact CB-OD2 3.33Å; T258-D261 WeakPolarHBondContact CG2-OD2 3.36Å; T258-D261 PolarHBondContact N-OD2 3.3Å; T258-D261 PolarHBondContact O-N 3.29Å; T258-D261 VanDerWaalsContact O-N 3.1Å; T258-D261 PolarHBondContact OG1-N 2.93Å; T258-D261 PolarHBondContact OG1-OD2 3.42Å; T258-L262 PolarHBondContact O-N 2.85Å
259	R	83.6	Confident	73.2	Confident	177 Å²	177	72 Å²	72	67%	0.668	38%	0.375	S	S	*	.	H	α-helix	trans	-55	-24.4	168.8	177.4	168.5	-177.8	142.4	9.6	113.1	L225 C263	L225-R259 HydrophobicContact CD1-CB 3.97Å; L225-R259 HydrophobicContact CD1-CG 3.78Å; L225-R259 HydrophobicContact CD2-CG 3.92Å; R259-C263 WeakPolarHBondContact O-CA 3.18Å; R259-C263 WeakPolarHBondContact O-CB 3.37Å; R259-C263 PolarHBondContact O-N 3.27Å
260	Q	81.7	Confident	71.5	Confident	154 Å²	154	78.9 Å²	78.9	72%	0.72	41%	0.412	S	S	*	.	H	α-helix	trans	-83.5	-25.5	-179.1	-55.9	-172.2	41.5	0	0	112.5	T258 C263 P264	T258-Q260 PolarHBondContact O-N 2.97Å; T258-Q260 PolarHBondContact OG1-N 2.88Å; T258-Q260 VanDerWaalsContact OG1-N 3.1Å; Q260-C263 CarbonylContact O-C 3.56Å; Q260-P264 VanDerWaalsContact O-CA 3.32Å; Q260-P264 WeakPolarHBondContact O-CA 3.41Å; Q260-P264 VanDerWaalsContact O-N 3.11Å
261	D	81.7	Confident	69.7	Low	48 Å²	48	82.9 Å²	82.9	26%	0.257	44%	0.442	S	S	.	.	H	α-helix	trans	-71.2	-46.4	172.7	-58.3	-79.4	0	0	0	110.8	L249 L257 T258	L249-D261 HydrophobicContact CD2-CB 4.26Å; L257-D261 HydrophobicContact CB-CB 4.41Å; L257-D261 HydrophobicContact CD2-CB 4.12Å; T258-D261 WeakPolarHBondContact CA-OD2 3.29Å; T258-D261 VanDerWaalsContact CB-OD2 3.23Å; T258-D261 WeakPolarHBondContact CB-OD2 3.33Å; T258-D261 WeakPolarHBondContact CG2-OD2 3.36Å; T258-D261 PolarHBondContact N-OD2 3.3Å; T258-D261 PolarHBondContact O-N 3.29Å; T258-D261 VanDerWaalsContact O-N 3.1Å; T258-D261 PolarHBondContact OG1-N 2.93Å; T258-D261 PolarHBondContact OG1-OD2 3.42Å
262	L	84	Confident	68.1	Low	5 Å²	5	88 Å²	88	3%	0.026	48%	0.478	C	S	.	.	H	α-helix	trans	-70.6	-39.8	176.6	-69.1	171.2	0	0	0	112.7	C220 T221 C222 L225 K228 L249 L257 T258	C220-L262 HydrophobicContact CB-CD2 3.63Å; C220-L262 WeakPolarHBondContact O-CD2 3.49Å; T221-L262 CarbonylContact C-O 3.51Å; C222-L262 PolarHBondContact N-O 3Å; C222-L262 VanDerWaalsContact N-O 3.14Å; L225-L262 HydrophobicContact CD1-CD1 4.25Å; K228-L262 HydrophobicContact CB-CD1 3.94Å; K228-L262 HydrophobicContact CG-CD1 4.13Å; L249-L262 HydrophobicContact CD1-CD2 4.49Å; L257-L262 HydrophobicContact CB-CD1 4.49Å; L257-L262 HydrophobicContact CB-CG 4.28Å; L257-L262 HydrophobicContact CD1-CD2 3.6Å; L257-L262 HydrophobicContact CD1-CG 3.97Å; T258-L262 PolarHBondContact O-N 2.85Å
263	C	85.6	Confident	66.5	Low	26 Å²	26	96.1 Å²	96.1	18%	0.176	52%	0.516	C	S	.	.	S	Bend	trans	-122.9	77.8	176.9	-74.8	0	0	0	0	111.7	C222 R259 Q260 R265	C222-C263 WeakPolarHBondContact CA-SG 3.34Å; C222-C263 HydrophobicContact CB-CB 4.48Å; C222-C263 WeakPolarHBondContact CB-SG 3.31Å; C222-C263 WeakPolarHBondContact SG-CA 3.43Å; C222-C263 WeakPolarHBondContact SG-CB 3.3Å; C222-C263 CovalentContact SG-SG 2.04Å; C222-C263 PolarHBondContact SG-SG 3.18Å; R259-C263 WeakPolarHBondContact O-CA 3.18Å; R259-C263 WeakPolarHBondContact O-CB 3.37Å; R259-C263 PolarHBondContact O-N 3.27Å; Q260-C263 CarbonylContact O-C 3.56Å; C263-R265 PolarHBondContact O-N 2.97Å; C263-R265 VanDerWaalsContact O-N 3.08Å
264	P	79.5	Confident	64.3	Low	95 Å²	95	107.9 Å²	107.9	62%	0.617	56%	0.56	S	S	*	*			trans	-62.2	114.8	169.4	25.7	-33.4	0	0	0	109.1	Q260 K266	Q260-P264 VanDerWaalsContact O-CA 3.32Å; Q260-P264 WeakPolarHBondContact O-CA 3.41Å; Q260-P264 VanDerWaalsContact O-N 3.11Å; P264-K266 PolarHBondContact O-N 2.75Å
265	R	69.3	Low	61.7	Low	239 Å²	239	111.7 Å²	111.7	90%	0.902	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-61.3	127.5	176.2	-73.4	-177.9	171.7	-179.1	-1.8	109.1	C263 S267	C263-R265 PolarHBondContact O-N 2.97Å; C263-R265 VanDerWaalsContact O-N 3.08Å; R265-S267 PolarHBondContact O-N 2.89Å
266	K	52.4	Low	59.3	Low	202 Å²	202	114.8 Å²	114.8	88%	0.878	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-54.6	134.4	162.6	-71.5	-174	176.7	-176.9	0	108.4	P264	P264-K266 PolarHBondContact O-N 2.75Å
267	S	42.1	Very low	57.2	Low	99 Å²	99	120.3 Å²	120.3	69%	0.692	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-57.2	138.2	175.9	45.9	0	0	0	0	110.5	R265 S269	R265-S267 PolarHBondContact O-N 2.89Å; S267-S269 PolarHBondContact O-N 3.04Å
268	A	44.6	Very low	54.8	Low	96 Å²	96	125 Å²	125	79%	0.793	69%	0.688	S	S	*	*	S	Bend	trans	-76.1	75.7	-178	0	0	0	0	0	111.2
269	S	44.9	Very low	52.2	Low	98 Å²	98	128.8 Å²	128.8	69%	0.685	71%	0.705	S	S	*	*			trans	-132.5	26.6	176.3	66.3	0	0	0	0	112.5	S267	S267-S269 PolarHBondContact O-N 3.04Å
270	D	40.3	Very low	49.7	Very low	159 Å²	159	125.6 Å²	125.6	85%	0.85	71%	0.706	S	S	*	*	S	Bend	trans	-153.8	56.3	169.2	-154.4	4.9	0	0	0	110.6
271	S	39.3	Very low	47.3	Very low	97 Å²	97	126.9 Å²	126.9	68%	0.678	71%	0.711	S	S	*	*			trans	-141.6	39.9	-179.9	72.1	0	0	0	0	112.6
272	S	37.3	Very low	45	Very low	108 Å²	108	130.5 Å²	130.5	76%	0.755	74%	0.735	S	S	*	*			trans	-101.1	57.6	178.2	60.2	0	0	0	0	112.6
273	Q	37.3	Very low	42.5	Very low	198 Å²	198	139.6 Å²	139.6	93%	0.925	78%	0.777	S	S	*	*			trans	-172.6	126.9	147.3	-105.7	163.7	35.3	0	0	110.1
274	R	34.8	Very low	39.9	Very low	252 Å²	252	145.4 Å²	145.4	95%	0.951	80%	0.796	S	S	*	*			trans	-141.5	104.1	174.6	-166.4	-177.2	-165.3	-165	4.2	110.7
275	G	32.3	Very low	37.5	Very low	80 Å²	80	148.9 Å²	148.9	83%	0.825	81%	0.808	S	S	*	*			trans	74.6	101.5	160.7	0	0	0	0	0	116.6
276	S	30.5	Very low	35.5	Very low	118 Å²	118	142.4 Å²	142.4	83%	0.825	80%	0.8	S	S	*	*			trans	-126	156.5	143.3	53.2	0	0	0	0	108.6
277	H	36.8	Very low	35.8	Very low	194 Å²	194	138.3 Å²	138.3	90%	0.898	79%	0.794	S	S	*	*			trans	-67.1	147.6	-163.7	-66.9	-105.4	0	0	0	113.5
278	A	30.3	Very low	35.1	Very low	104 Å²	104	140.2 Å²	140.2	86%	0.86	80%	0.801	S	S	*	*			trans	-130.5	95.1	167.2	0	0	0	0	0	109.3
279	D	28.2	Very low	34.4	Very low	155 Å²	155	142.7 Å²	142.7	83%	0.829	80%	0.798	S	S	*	*			trans	-98.7	160.1	158.9	-114.1	-45.1	0	0	0	109.8
280	T	31.6	Very low	33.8	Very low	111 Å²	111	144.8 Å²	144.8	68%	0.681	80%	0.802	S	S	*	*			trans	-26.9	128.9	-176	51.7	0	0	0	0	118.3
281	H	31.3	Very low	34.6	Very low	180 Å²	180	142.6 Å²	142.6	83%	0.833	80%	0.796	S	S	*	*				-163.4	161	95.1	-114.9	-87.8	0	0	0	114.7
282	V	33.4	Very low	34	Very low	124 Å²	124	141.9 Å²	141.9	75%	0.752	80%	0.796	S	S	*	*			trans	-115	137.8	179.8	173.2	0	0	0	0	110.1
283	Q	31.4	Very low	33.7	Very low	197 Å²	197	144.8 Å²	144.8	92%	0.921	80%	0.802	S	S	*	*			trans	-150.9	154.1	147.6	-117.6	166.4	7.1	0	0	112
284	R	30.7	Very low	33.3	Very low	148 Å²	148	142.4 Å²	142.4	56%	0.558	80%	0.796	S	S	*	*			trans	-101.7	160.7	-179.9	-58.3	173.4	177.6	173.4	-3	109.7	S787	R284-S787 PolarHBondContact NH1-OG 2.65Å; R284-S787 VanDerWaalsContact NH2-CB 3.34Å; R284-S787 PolarHBondContact NH2-OG 2.91Å
285	L	28.9	Very low	34.1	Very low	167 Å²	167	135.5 Å²	135.5	87%	0.874	78%	0.783	S	S	*	*				-170.7	168.7	119.4	-101	160.4	0	0	0	112.1
286	S	27.3	Very low	34	Very low	104 Å²	104	138 Å²	138	73%	0.727	78%	0.783	S	S	*	*			trans	-160	-178.2	-175.5	-52.7	0	0	0	0	107.1
287	P	57.9	Low	34.1	Very low	116 Å²	116	143.7 Å²	143.7	75%	0.753	79%	0.786	S	S	*	*				-129.5	171.3	-50.4	36.2	-22.5	0	0	0	112
288	T	28.7	Very low	33.9	Very low	139 Å²	139	138.6 Å²	138.6	85%	0.853	78%	0.778	S	S	*	*			trans	-168.5	160.3	154.3	26.8	0	0	0	0	108.6
289	M	28.4	Very low	34.7	Very low	147 Å²	147	139 Å²	139	72%	0.724	77%	0.771	S	S	*	*			cis	179.5	122.1	-38	-106.5	-146.2	92.4	0	0	105.5
290	N	33.6	Very low	34.8	Very low	142 Å²	142	141.1 Å²	141.1	76%	0.759	77%	0.773	S	S	*	*			trans	70	163.5	145.8	-85.2	19.7	0	0	0	121.5
291	P	55.8	Low	34.9	Very low	114 Å²	114	140.9 Å²	140.9	74%	0.74	78%	0.782	S	S	*	*			trans	-129.3	-167.8	-138	46.2	-33.4	0	0	0	114
292	A	27.1	Very low	34.9	Very low	81 Å²	81	138.2 Å²	138.2	67%	0.669	78%	0.784	S	S	*	*			trans	-178.4	162.7	134	0	0	0	0	0	115.3
293	L	32.5	Very low	35.1	Very low	170 Å²	170	143.7 Å²	143.7	89%	0.89	79%	0.792	S	S	*	*			trans	72.6	106.5	145.3	-74.4	153.9	0	0	0	122.8
294	N	27.2	Very low	36.1	Very low	148 Å²	148	139.8 Å²	139.8	79%	0.791	78%	0.783	S	S	*	*			trans	-68	-177.8	147.1	-76.6	-23.8	0	0	0	112
295	P	52.3	Low	36.7	Very low	106 Å²	106	138.9 Å²	138.9	69%	0.688	80%	0.796	S	S	*	*			cis	-132.6	-171.8	-43.3	37	-20.5	0	0	0	111.7
296	T	30.6	Very low	36.9	Very low	133 Å²	133	140.4 Å²	140.4	82%	0.816	80%	0.796	S	S	*	*				174.4	145.7	122.7	30.1	0	0	0	0	116.5
297	R	31.3	Very low	37.1	Very low	238 Å²	238	143.2 Å²	143.2	90%	0.898	80%	0.8	S	S	*	*			trans	63.4	113.9	137.3	-165.8	174.9	-165.9	170.2	3.9	121.4
298	A	33.7	Very low	36	Very low	86 Å²	86	147 Å²	147	71%	0.711	80%	0.799	S	S	*	*			trans	-81.1	166.6	158.7	0	0	0	0	0	112.3
299	P	45.9	Very low	36.1	Very low	112 Å²	112	146.6 Å²	146.6	73%	0.727	79%	0.792	S	S	*	*				-155.3	158.3	98.8	39.5	-21.2	0	0	0	119
300	K	30.6	Very low	36.3	Very low	200 Å²	200	150.5 Å²	150.5	87%	0.87	80%	0.798	S	S	*	*			trans	52	102.3	140.1	-64.6	177.4	180	-178.2	0	122.4
301	A	33.9	Very low	36.8	Very low	106 Å²	106	148.2 Å²	148.2	88%	0.876	79%	0.791	S	S	*	*				30.9	133.5	120.6	0	0	0	0	0	123.3
302	S	32.7	Very low	35.8	Very low	125 Å²	125	148.9 Å²	148.9	87%	0.874	79%	0.793	S	S	*	*			trans	-153.1	168.5	151.6	66.3	0	0	0	0	112.4
303	R	36.5	Very low	36.7	Very low	239 Å²	239	150.6 Å²	150.6	90%	0.902	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-94.3	161.7	-173.7	-106	-178.3	171.1	172.6	-3.2	113.2
304	P	53.1	Low	36.6	Very low	115 Å²	115	154.4 Å²	154.4	75%	0.747	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-97	163.4	-178.3	38.8	-35.8	0	0	0	114.6
305	P	42.1	Very low	36.8	Very low	128 Å²	128	153.1 Å²	153.1	83%	0.831	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-100.3	168.4	161.9	37.1	-30.7	0	0	0	113.6
306	K	34.7	Very low	35.8	Very low	199 Å²	199	155 Å²	155	87%	0.865	81%	0.807	S	S	*	*			trans	-109.6	-179	173.7	-67.1	179.3	176.2	178.1	0	110.8
307	M	31.1	Very low	35.8	Very low	164 Å²	164	154.8 Å²	154.8	81%	0.808	81%	0.805	S	S	*	*			trans	112.2	152.2	154.9	-65.1	177.8	65.6	0	0	116.5
308	R	33.4	Very low	35.7	Very low	194 Å²	194	148.4 Å²	148.4	73%	0.732	80%	0.797	S	S	*	*			cis	-174.1	145.3	-23.7	174.5	169	-179	177.9	-2.6	110.9
309	N	32.4	Very low	35.7	Very low	132 Å²	132	152.9 Å²	152.9	71%	0.706	80%	0.801	S	S	*	*			trans	67.8	122.3	162.1	-71.5	5.4	0	0	0	122.9
310	R	31.5	Very low	34.9	Very low	229 Å²	229	155.5 Å²	155.5	86%	0.864	81%	0.808	S	S	*	*				18.3	164.1	114	-101.9	-171.1	173.3	-163.8	0.1	121.2
311	P	43.3	Very low	35	Very low	94 Å²	94	157.1 Å²	157.1	61%	0.61	81%	0.809	S	S	*	*			cis	-148.2	149.2	-4.2	37	-14.8	0	0	0	120.2
312	T	36.2	Very low	35.1	Very low	128 Å²	128	161.1 Å²	161.1	79%	0.785	81%	0.81	S	S	*	*			trans	63	-179.3	142.1	62.8	0	0	0	0	120.1
313	P	45.8	Very low	34.9	Very low	117 Å²	117	160.4 Å²	160.4	76%	0.76	81%	0.805	S	S	*	*				-133.1	171.2	-71.8	41	-25.9	0	0	0	114.8
314	R	30.4	Very low	34.8	Very low	250 Å²	250	158.3 Å²	158.3	94%	0.943	80%	0.803	S	S	*	*			trans	-153.3	154.8	154.9	-143.9	171	-171.9	169.1	3.6	113.2
315	V	31.5	Very low	34	Very low	120 Å²	120	155.5 Å²	155.5	73%	0.727	79%	0.794	S	S	*	*			trans	-119.3	140	-176.2	174.2	0	0	0	0	110.5	V317	V315-V317 HydrophobicContact CG1-CG2 4.26Å
316	T	30.7	Very low	33.8	Very low	147 Å²	147	155.6 Å²	155.6	90%	0.902	80%	0.795	S	S	*	*			trans	-144.4	157.6	155.9	39.5	0	0	0	0	109.7
317	V	30	Very low	34.1	Very low	127 Å²	127	153.4 Å²	153.4	77%	0.77	79%	0.791	S	S	*	*			trans	-133.9	135.7	-168.3	173.7	0	0	0	0	111.5	V315	V315-V317 HydrophobicContact CG1-CG2 4.26Å
318	S	31	Very low	34.2	Very low	105 Å²	105	153.1 Å²	153.1	73%	0.734	79%	0.79	S	S	*	*			trans	-148.9	120.4	150.8	-160	0	0	0	0	105.9
319	K	32	Very low	34.2	Very low	179 Å²	179	149.6 Å²	149.6	78%	0.778	79%	0.789	S	S	*	*				42.7	107	78.4	-71.2	-171.9	176.1	-177.8	0	110.2
320	D	31	Very low	34.3	Very low	167 Å²	167	153 Å²	153	89%	0.893	79%	0.794	S	S	*	*				-135.1	170	76.3	-119.9	-37.5	0	0	0	116.6
321	R	32.2	Very low	34.3	Very low	234 Å²	234	151 Å²	151	88%	0.883	79%	0.794	S	S	*	*			trans	-123	125.8	177.7	-96.3	-177.2	168.5	-177.2	-3.6	110.8
322	Q	35.8	Very low	34.2	Very low	191 Å²	191	152.6 Å²	152.6	89%	0.893	80%	0.803	S	S	*	*			trans	-131.3	143.3	146.6	-71.9	-164.8	-8	0	0	109.7
323	S	28.4	Very low	34.2	Very low	110 Å²	110	155.9 Å²	155.9	77%	0.769	81%	0.806	S	S	*	*			trans	-128.4	117.7	-164.7	176.5	0	0	0	0	109.8
324	F	33.5	Very low	33.7	Very low	195 Å²	195	155.5 Å²	155.5	86%	0.855	81%	0.806	S	S	*	*			trans	-102.9	141.9	161.6	-74	-83.6	0	0	0	108.9
325	G	37.7	Very low	34.5	Very low	55 Å²	55	148.1 Å²	148.1	57%	0.567	79%	0.79	S	S	*	*			trans	-68.4	171.2	-171.3	0	0	0	0	0	114.1	I327	G325-I327 PolarHBondContact O-N 2.69Å
326	P	38.2	Very low	35.4	Very low	130 Å²	130	146.3 Å²	146.3	84%	0.844	78%	0.779	S	S	*	*			trans	-64.4	108.4	-179.8	27.3	-34.2	0	0	0	110.7	M328	P326-M328 PolarHBondContact O-N 2.83Å
327	I	38.9	Very low	36.5	Very low	154 Å²	154	144.5 Å²	144.5	79%	0.79	77%	0.77	S	S	*	*			trans	-64.8	117.7	163.4	-61.2	173.9	0	0	0	106.4	G325 V329	G325-I327 PolarHBondContact O-N 2.69Å; I327-V329 PolarHBondContact O-N 3.47Å
328	M	33.5	Very low	38.2	Very low	157 Å²	157	141.2 Å²	141.2	77%	0.773	75%	0.748	S	S	*	*			trans	-67.2	102.9	174.5	-67.3	-156.1	-55	0	0	109.4	P326 Y330	P326-M328 PolarHBondContact O-N 2.83Å; M328-Y330 PolarHBondContact O-N 2.93Å
329	V	33.2	Very low	40.2	Very low	120 Å²	120	138.6 Å²	138.6	73%	0.727	73%	0.728	S	S	*	*			trans	-70.4	111.8	166.5	-178.7	0	0	0	0	107	I327 Q331	I327-V329 PolarHBondContact O-N 3.47Å; V329-Q331 PolarHBondContact O-N 3.34Å
330	Y	35.7	Very low	42.5	Very low	203 Å²	203	132.3 Å²	132.3	80%	0.796	71%	0.705	S	S	*	*			trans	-58.1	110.1	164.2	-68.7	-86.4	0	0	0	107.7	M328 T332	M328-Y330 PolarHBondContact O-N 2.93Å; Y330-T332 PolarHBondContact O-N 2.82Å
331	Q	31.5	Very low	45.1	Very low	189 Å²	189	124.4 Å²	124.4	88%	0.883	66%	0.663	S	S	*	*			trans	-66.5	97.8	175.7	-74.4	-178.1	-33.6	0	0	108.9	V329 K333	V329-Q331 PolarHBondContact O-N 3.34Å; Q331-K333 PolarHBondContact O-N 3.04Å
332	T	40.4	Very low	47.2	Very low	127 Å²	127	118.2 Å²	118.2	78%	0.779	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-57.6	131.6	157	43.4	0	0	0	0	107.4	Y330 S334	Y330-T332 PolarHBondContact O-N 2.82Å; T332-S334 PolarHBondContact O-N 3.16Å
333	K	36.7	Very low	49.4	Very low	197 Å²	197	112.1 Å²	112.1	86%	0.857	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-53	130.3	174.8	-68.7	-179.2	177.5	-179.5	0	108.2	Q331	Q331-K333 PolarHBondContact O-N 3.04Å
334	S	36	Very low	52	Low	108 Å²	108	107.5 Å²	107.5	76%	0.755	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-48.2	130.7	176.5	-55	0	0	0	0	109.6	T332 V336	T332-S334 PolarHBondContact O-N 3.16Å; S334-V336 PolarHBondContact O-N 3.29Å
335	P	47.7	Very low	54.3	Low	95 Å²	95	98.4 Å²	98.4	62%	0.617	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-59.4	134.3	178.8	24.8	-33.2	0	0	0	109.1
336	V	50.3	Low	56.5	Low	83 Å²	83	97.2 Å²	97.2	50%	0.503	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-53.5	134.5	171.7	176.8	0	0	0	0	107.8	S334 L338 T375	S334-V336 PolarHBondContact O-N 3.29Å; V336-L338 WeakPolarHBondContact O-CG 3.33Å; V336-L338 PolarHBondContact O-N 3.39Å; V336-T375 HydrophobicContact CG1-CG2 4.37Å
337	P	53.1	Low	58.3	Low	108 Å²	108	91.5 Å²	91.5	70%	0.701	51%	0.508	S	S	*	.			trans	-58.6	103.7	177.7	-25	35	0	0	0	110.5	T339 T375	P337-T339 PolarHBondContact O-N 2.74Å; P337-T375 PolarHBondContact O-OG1 2.82Å; P337-T375 VanDerWaalsContact O-OG1 3.06Å
338	L	64.9	Low	59.8	Low	59 Å²	59	86.6 Å²	86.6	31%	0.309	49%	0.487	S	S	.	.			trans	-72.3	92.5	-177	-62.2	179.4	0	0	0	109.6	V336 L355 T375	V336-L338 WeakPolarHBondContact O-CG 3.33Å; V336-L338 PolarHBondContact O-N 3.39Å; L338-L355 HydrophobicContact CB-CD1 4.22Å; L338-L355 HydrophobicContact CB-CD2 4.47Å; L338-L355 HydrophobicContact CD1-CD1 4.22Å; L338-L355 HydrophobicContact CD2-CB 4.42Å; L338-T375 WeakPolarHBondContact CA-OG1 3.3Å
339	T	73.8	Confident	61.2	Low	50 Å²	50	80.7 Å²	80.7	31%	0.307	46%	0.458	S	S	.	.			trans	-67.3	138.6	173.8	51.4	0	0	0	0	110.1	P337 L355 K373 P374 T375	P337-T339 PolarHBondContact O-N 2.74Å; T339-L355 WeakPolarHBondContact O-CD2 3.3Å; T339-K373 WeakPolarHBondContact CB-O 3.29Å; T339-K373 PolarHBondContact OG1-O 2.82Å; T339-P374 WeakPolarHBondContact O-CA 3.21Å; T339-T375 PolarHBondContact N-OG1 2.93Å; T339-T375 PolarHBondContact OG1-N 3.23Å; T339-T375 PolarHBondContact OG1-OG1 3.06Å
340	C	80.1	Confident	61.9	Low	46 Å²	46	79.7 Å²	79.7	31%	0.311	46%	0.456	S	S	.	.			trans	-123.9	132.6	176.2	-177.3	0	0	0	0	109.2	S342 C346 P372	C340-S342 PolarHBondContact O-N 3.04Å; C340-C346 WeakPolarHBondContact CA-SG 3.24Å; C340-C346 HydrophobicContact CB-CB 3.7Å; C340-C346 WeakPolarHBondContact CB-SG 3.17Å; C340-C346 WeakPolarHBondContact SG-CB 3.19Å; C340-C346 PolarHBondContact SG-N 3.49Å; C340-C346 VanDerWaalsContact SG-N 3.44Å; C340-C346 CovalentContact SG-SG 2.03Å; C340-C346 PolarHBondContact SG-SG 3.23Å; C340-P372 WeakPolarHBondContact O-CD 3.16Å; C340-P372 WeakPolarHBondContact O-CG 3.47Å
341	P	84.8	Confident	62.8	Low	1 Å²	1	74.4 Å²	74.4	1%	0.006	45%	0.449	C	S	.	.			trans	-57.9	133.9	173	-22.7	32.1	0	0	0	110.9	S343 C344 V357 L370 P372 P374	P341-S343 PolarHBondContact O-N 3.37Å; P341-S343 VanDerWaalsContact O-N 3.12Å; P341-C344 HydrophobicContact CB-CB 4.07Å; P341-C344 HydrophobicContact CG-CB 4.44Å; P341-C344 PolarHBondContact O-N 2.91Å; P341-V357 HydrophobicContact CG-CG1 4.43Å; P341-L370 HydrophobicContact CB-CB 4.32Å; P341-L370 HydrophobicContact CB-CD2 4.24Å; P341-L370 HydrophobicContact CG-CB 4.07Å; P341-L370 HydrophobicContact CG-CD2 4.25Å; P341-P372 WeakPolarHBondContact CA-O 3.2Å; P341-P372 WeakPolarHBondContact CG-O 3.21Å; P341-P374 HydrophobicContact CG-CG 4.44Å
342	S	78.3	Confident	64	Low	104 Å²	104	69.6 Å²	69.6	73%	0.727	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.6	-171.5	56	0	0	0	0	114.3	C340 Q371	C340-S342 PolarHBondContact O-N 3.04Å; S342-Q371 PolarHBondContact N-O 2.95Å; S342-Q371 PolarHBondContact OG-O 2.86Å
343	S	80	Confident	64.9	Low	64 Å²	64	68.2 Å²	68.2	45%	0.448	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	9.2	177.4	-56.4	0	0	0	0	114.4	P341 R362	P341-S343 PolarHBondContact O-N 3.37Å; P341-S343 VanDerWaalsContact O-N 3.12Å; S343-R362 PolarHBondContact O-NH1 2.95Å
344	C	84.4	Confident	66.5	Low	12 Å²	12	59.2 Å²	59.2	8%	0.081	38%	0.38	C	S	.	.	S	Bend	trans	-120.6	172.7	-179.5	-60	0	0	0	0	112.4	P341 V357 N358 C359	P341-C344 HydrophobicContact CB-CB 4.07Å; P341-C344 HydrophobicContact CG-CB 4.44Å; P341-C344 PolarHBondContact O-N 2.91Å; C344-V357 HydrophobicContact CB-CG1 4.35Å; C344-N358 WeakPolarHBondContact CA-O 3.4Å; C344-N358 WeakPolarHBondContact CB-O 3.15Å; C344-C359 HydrophobicContact CB-CB 4.14Å; C344-C359 WeakPolarHBondContact CB-SG 3.39Å; C344-C359 WeakPolarHBondContact SG-CB 3.49Å; C344-C359 CovalentContact SG-SG 2.03Å; C344-C359 PolarHBondContact SG-SG 3.45Å
345	V	81.8	Confident	68.6	Low	5 Å²	5	54.3 Å²	54.3	3%	0.03	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	115.5	174.6	-167.8	0	0	0	0	108.3	F247 H250 N358	F247-V345 HydrophobicContact CD1-CG1 4.31Å; F247-V345 HydrophobicContact CD2-CG1 3.95Å; F247-V345 HydrophobicContact CD2-CG2 4Å; F247-V345 HydrophobicContact CE1-CG1 4.1Å; F247-V345 HydrophobicContact CE2-CB 4.24Å; F247-V345 HydrophobicContact CE2-CG1 3.74Å; F247-V345 HydrophobicContact CE2-CG2 3.51Å; F247-V345 HydrophobicContact CG-CG1 4.24Å; F247-V345 HydrophobicContact CZ-CG1 3.82Å; F247-V345 HydrophobicContact CZ-CG2 4.17Å; H250-V345 HydrophobicContact CB-CG1 3.96Å; V345-N358 PolarHBondContact N-O 3.12Å; V345-N358 PolarHBondContact O-N 3.2Å
346	C	83.2	Confident	70.4	Confident	30 Å²	30	50.2 Å²	50.2	20%	0.203	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141.4	-179.1	-40.2	0	0	0	0	111.8	C340 L355 N356 V357	C340-C346 WeakPolarHBondContact CA-SG 3.24Å; C340-C346 HydrophobicContact CB-CB 3.7Å; C340-C346 WeakPolarHBondContact CB-SG 3.17Å; C340-C346 WeakPolarHBondContact SG-CB 3.19Å; C340-C346 PolarHBondContact SG-N 3.49Å; C340-C346 VanDerWaalsContact SG-N 3.44Å; C340-C346 CovalentContact SG-SG 2.03Å; C340-C346 PolarHBondContact SG-SG 3.23Å; C346-L355 HydrophobicContact CB-CD1 3.72Å; C346-L355 HydrophobicContact CB-CD2 4.26Å; C346-L355 HydrophobicContact CB-CG 4.09Å; C346-N356 CarbonylContact C-O 3.04Å; C346-N356 WeakPolarHBondContact CA-O 3.35Å; C346-V357 HydrophobicContact CB-CG2 4.37Å
347	T	75.6	Confident	72.1	Confident	10 Å²	10	46.3 Å²	46.3	6%	0.061	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131.4	-178.6	54.3	0	0	0	0	110.8	H250 K252 N356	H250-T347 VanDerWaalsContact O-CG2 3.25Å; H250-T347 WeakPolarHBondContact O-CG2 3.23Å; H250-T347 PolarHBondContact O-OG1 3.49Å; K252-T347 HydrophobicContact CG-CG2 4.23Å; K252-T347 WeakPolarHBondContact CG-OG1 3.42Å; T347-N356 PolarHBondContact N-O 3.24Å; T347-N356 WeakPolarHBondContact O-CB 3.14Å; T347-N356 PolarHBondContact O-N 2.82Å
348	S	71.9	Confident	73.6	Confident	51 Å²	51	41.2 Å²	41.2	36%	0.357	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	137.3	180	-177	0	0	0	0	111.5	K252	K252-S348 WeakPolarHBondContact CE-O 3.46Å; K252-S348 PolarHBondContact NZ-O 3.32Å
349	Q	61	Low	74.6	Confident	32 Å²	32	38.4 Å²	38.4	15%	0.15	25%	0.247	C	C	.	.			trans	-84.1	116.7	170.5	-171.6	174.8	15.1	0	0	110.2	S351 D352 N353 G354	Q349-S351 PolarHBondContact O-N 2.98Å; Q349-D352 HydrophobicContact CG-CB 4.49Å; Q349-D352 PolarHBondContact O-N 3.03Å; Q349-N353 PolarHBondContact O-N 3.5Å; Q349-G354 WeakPolarHBondContact CB-O 3.5Å; Q349-G354 PolarHBondContact N-O 3.07Å
350	S	49.7	Very low	75.1	Confident	100 Å²	100	38.2 Å²	38.2	70%	0.699	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-11.4	-165.1	-40.2	0	0	0	0	116.3
351	S	54	Low	75.2	Confident	92 Å²	92	42.7 Å²	42.7	64%	0.643	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-25.8	-175.4	51.5	0	0	0	0	114.2	Q349	Q349-S351 PolarHBondContact O-N 2.98Å
352	D	55.6	Low	75.3	Confident	88 Å²	88	47.6 Å²	47.6	47%	0.471	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-2.9	-160.4	-71.8	39.8	0	0	0	113.1	Q349 G354 K378	Q349-D352 HydrophobicContact CG-CB 4.49Å; Q349-D352 PolarHBondContact O-N 3.03Å; D352-G354 PolarHBondContact O-N 3.18Å; D352-K378 IonicContact OD2-NZ 3.9Å; D352-K378 PolarHBondContact OD2-NZ 3.16Å
353	N	61.2	Low	75.7	Confident	97 Å²	97	49.2 Å²	49.2	52%	0.519	27%	0.271	S	S	.	.			trans	57.4	-5.3	-165.1	-68.5	-11	0	0	0	115.9	Q349	Q349-N353 PolarHBondContact O-N 3.5Å
354	G	69.4	Low	76.1	Confident	8 Å²	8	47.1 Å²	47.1	8%	0.082	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-60	136.5	-179.4	0	0	0	0	0	113.3	Q349 D352	Q349-G354 WeakPolarHBondContact CB-O 3.5Å; Q349-G354 PolarHBondContact N-O 3.07Å; D352-G354 PolarHBondContact O-N 3.18Å
355	L	80.8	Confident	76.3	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	125.1	176.3	-171.3	64.3	0	0	0	110.5	L338 T339 C346 V357 P374 S376 P377 K378 K379	L338-L355 HydrophobicContact CB-CD1 4.22Å; L338-L355 HydrophobicContact CB-CD2 4.47Å; L338-L355 HydrophobicContact CD1-CD1 4.22Å; L338-L355 HydrophobicContact CD2-CB 4.42Å; T339-L355 WeakPolarHBondContact O-CD2 3.3Å; C346-L355 HydrophobicContact CB-CD1 3.72Å; C346-L355 HydrophobicContact CB-CD2 4.26Å; C346-L355 HydrophobicContact CB-CG 4.09Å; L355-V357 HydrophobicContact CD2-CG2 3.82Å; L355-V357 HydrophobicContact CG-CG2 3.78Å; L355-P374 HydrophobicContact CD2-CB 3.99Å; L355-S376 PolarHBondContact N-O 2.97Å; L355-P377 CarbonylContact O-C 3.32Å; L355-P377 VanDerWaalsContact O-CA 3.3Å; L355-P377 WeakPolarHBondContact O-CA 3.43Å; L355-K378 PolarHBondContact O-N 3.35Å; L355-K379 PolarHBondContact O-N 3.37Å
356	N	83.8	Confident	76.7	Confident	10 Å²	10	51.6 Å²	51.6	5%	0.053	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.4	168.5	-175.4	-37.2	0	0	0	108	G251 C346 T347 K379	G251-N356 PolarHBondContact O-ND2 2.94Å; G251-N356 PolarHBondContact O-OD1 3.09Å; C346-N356 CarbonylContact C-O 3.04Å; C346-N356 WeakPolarHBondContact CA-O 3.35Å; T347-N356 PolarHBondContact N-O 3.24Å; T347-N356 WeakPolarHBondContact O-CB 3.14Å; T347-N356 PolarHBondContact O-N 2.82Å; N356-K379 HydrophobicContact CB-CB 4.43Å
357	V	86.6	Confident	77	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	115.5	-171.6	-178.8	0	0	0	0	108.9	P341 C344 C346 L355 P374 P377 K379 L380 Y381	P341-V357 HydrophobicContact CG-CG1 4.43Å; C344-V357 HydrophobicContact CB-CG1 4.35Å; C346-V357 HydrophobicContact CB-CG2 4.37Å; L355-V357 HydrophobicContact CD2-CG2 3.82Å; L355-V357 HydrophobicContact CG-CG2 3.78Å; V357-P374 HydrophobicContact CG2-CB 3.84Å; V357-P374 HydrophobicContact CG2-CG 4.32Å; V357-P377 HydrophobicContact CG2-CB 4.13Å; V357-K379 PolarHBondContact N-O 3.01Å; V357-L380 HydrophobicContact CB-CD1 3.89Å; V357-L380 HydrophobicContact CG1-CD1 3.75Å; V357-L380 WeakPolarHBondContact O-CA 3.15Å; V357-Y381 PolarHBondContact O-N 3.31Å
358	N	84.3	Confident	77.5	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.1	176.8	-176.5	-27.9	0	0	0	111.3	H250 C344 V345 Q360 Y381	H250-N358 PolarHBondContact CE1-ND2 3.12Å; H250-N358 PolarHBondContact CE1-OD1 2.86Å; C344-N358 WeakPolarHBondContact CA-O 3.4Å; C344-N358 WeakPolarHBondContact CB-O 3.15Å; V345-N358 PolarHBondContact N-O 3.12Å; V345-N358 PolarHBondContact O-N 3.2Å; N358-Q360 PolarHBondContact ND2-OE1 2.69Å; N358-Q360 WeakPolarHBondContact OD1-CB 3.49Å; N358-Q360 VanDerWaalsContact OD1-CG 3.24Å; N358-Q360 WeakPolarHBondContact OD1-CG 3.04Å; N358-Q360 PolarHBondContact OD1-N 2.66Å; N358-Q360 PolarHBondContact OD1-OE1 2.99Å; N358-Y381 HydrophobicContact CB-CD2 4.31Å
359	C	86.8	Confident	78.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.283	C	S	.	.			trans	-127.5	28.4	-173.6	-64.3	0	0	0	0	111.5	C344 R362 F364 L370 Y381 L382 N385	C344-C359 HydrophobicContact CB-CB 4.14Å; C344-C359 WeakPolarHBondContact CB-SG 3.39Å; C344-C359 WeakPolarHBondContact SG-CB 3.49Å; C344-C359 CovalentContact SG-SG 2.03Å; C344-C359 PolarHBondContact SG-SG 3.45Å; C359-R362 WeakPolarHBondContact O-CG 3.44Å; C359-F364 HydrophobicContact CB-CD2 4.32Å; C359-F364 HydrophobicContact CB-CE2 3.83Å; C359-L370 HydrophobicContact CB-CD2 4.32Å; C359-L370 WeakPolarHBondContact SG-CD2 3.5Å; C359-Y381 CarbonylContact C-O 2.96Å; C359-Y381 WeakPolarHBondContact CA-O 2.97Å; C359-Y381 VanDerWaalsContact CB-O 3.3Å; C359-Y381 WeakPolarHBondContact CB-O 3.24Å; C359-Y381 PolarHBondContact N-O 3.41Å; C359-L382 HydrophobicContact CB-CD2 3.63Å; C359-L382 HydrophobicContact CB-CG 4.41Å; C359-N385 PolarHBondContact O-ND2 3.04Å
360	Q	83.9	Confident	79.3	Confident	47 Å²	47	51.2 Å²	51.2	22%	0.22	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	143.2	-174.7	-66.5	175.5	-68.1	0	0	113.3	N358 R362 T383	N358-Q360 PolarHBondContact ND2-OE1 2.69Å; N358-Q360 WeakPolarHBondContact OD1-CB 3.49Å; N358-Q360 VanDerWaalsContact OD1-CG 3.24Å; N358-Q360 WeakPolarHBondContact OD1-CG 3.04Å; N358-Q360 PolarHBondContact OD1-N 2.66Å; N358-Q360 PolarHBondContact OD1-OE1 2.99Å; Q360-R362 WeakPolarHBondContact O-CD 3.04Å; Q360-R362 WeakPolarHBondContact O-CG 3.19Å; Q360-R362 PolarHBondContact O-N 2.94Å; Q360-R362 VanDerWaalsContact O-N 3.13Å; Q360-R362 PolarHBondContact O-NE 3Å; Q360-T383 WeakPolarHBondContact CA-O 3.35Å; Q360-T383 HydrophobicContact CG-CG2 4.32Å; Q360-T383 WeakPolarHBondContact CG-OG1 3.35Å; Q360-T383 PolarHBondContact NE2-OG1 3.13Å
361	E	83.1	Confident	80.8	Confident	140 Å²	140	51.6 Å²	51.6	65%	0.654	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	22.5	177.4	-60.6	-172.3	-169.2	0	0	115.9	K363 T383	E361-K363 PolarHBondContact O-N 3.08Å; E361-T383 PolarHBondContact N-O 3.12Å
362	R	85	Confident	82.2	Confident	103 Å²	103	50.2 Å²	50.2	39%	0.389	26%	0.256	S	S	.	.	S	Bend	trans	-85.6	0.2	-176.2	-55.6	-55.1	163.4	112.1	-9.1	115.3	S343 C359 Q360 F364 N385	S343-R362 PolarHBondContact O-NH1 2.95Å; C359-R362 WeakPolarHBondContact O-CG 3.44Å; Q360-R362 WeakPolarHBondContact O-CD 3.04Å; Q360-R362 WeakPolarHBondContact O-CG 3.19Å; Q360-R362 PolarHBondContact O-N 2.94Å; Q360-R362 VanDerWaalsContact O-N 3.13Å; Q360-R362 PolarHBondContact O-NE 3Å; R362-F364 VanDerWaalsContact C-N 3.29Å; R362-F364 HydrophobicContact CB-CD2 3.66Å; R362-F364 HydrophobicContact CB-CE2 3.45Å; R362-F364 VanDerWaalsContact CB-CE2 3.45Å; R362-F364 HydrophobicContact CB-CZ 4.19Å; R362-F364 HydrophobicContact CG-CD2 4.49Å; R362-F364 HydrophobicContact CG-CE2 3.94Å; R362-F364 PolarHBondContact O-N 2.63Å; R362-N385 VanDerWaalsContact C-OD1 3.31Å; R362-N385 WeakPolarHBondContact CA-OD1 3.45Å; R362-N385 PolarHBondContact N-OD1 2.88Å; R362-N385 VanDerWaalsContact N-OD1 3.08Å
363	K	87.9	Confident	83.5	Confident	139 Å²	139	48.6 Å²	48.6	60%	0.604	25%	0.245	S	C	*	.			trans	63.1	27.2	180	-51.8	-179.9	178.8	179.6	0	114.5	E361 N385 Y386	E361-K363 PolarHBondContact O-N 3.08Å; K363-N385 PolarHBondContact N-OD1 2.91Å; K363-Y386 HydrophobicContact CB-CD2 3.88Å; K363-Y386 HydrophobicContact CB-CE2 3.64Å; K363-Y386 HydrophobicContact CD-CE2 4.01Å; K363-Y386 HydrophobicContact CG-CD2 4.35Å; K363-Y386 HydrophobicContact CG-CE2 3.62Å
364	F	88.7	Confident	84.5	Confident	19 Å²	19	44.2 Å²	44.2	8%	0.083	22%	0.221	C	C	.	.			trans	-58.9	145.9	172.6	-69.9	-63.6	0	0	0	111.6	C359 R362 D369 L370 L382 N385 Y386 L387	C359-F364 HydrophobicContact CB-CD2 4.32Å; C359-F364 HydrophobicContact CB-CE2 3.83Å; R362-F364 VanDerWaalsContact C-N 3.29Å; R362-F364 HydrophobicContact CB-CD2 3.66Å; R362-F364 HydrophobicContact CB-CE2 3.45Å; R362-F364 VanDerWaalsContact CB-CE2 3.45Å; R362-F364 HydrophobicContact CB-CZ 4.19Å; R362-F364 HydrophobicContact CG-CD2 4.49Å; R362-F364 HydrophobicContact CG-CE2 3.94Å; R362-F364 PolarHBondContact O-N 2.63Å; F364-D369 HydrophobicContact CD1-CB 3.54Å; F364-D369 HydrophobicContact CE1-CB 4.07Å; F364-D369 HydrophobicContact CG-CB 4.5Å; F364-L370 HydrophobicContact CD2-CD2 4.28Å; F364-L370 HydrophobicContact CE1-CD2 4.18Å; F364-L370 HydrophobicContact CE2-CD2 3.76Å; F364-L370 HydrophobicContact CZ-CD2 3.68Å; F364-L382 HydrophobicContact CD2-CD2 4.29Å; F364-N385 HydrophobicContact CB-CB 4.3Å; F364-N385 PolarHBondContact N-OD1 2.92Å; F364-Y386 CarbonylContact O-C 3.58Å; F364-Y386 VanDerWaalsContact O-C 3.29Å; F364-Y386 WeakPolarHBondContact O-CA 3.22Å; F364-Y386 PolarHBondContact O-N 2.8Å; F364-L387 HydrophobicContact CB-CD2 4.3Å; F364-L387 PolarHBondContact O-N 3.45Å
365	T	88.5	Confident	84.9	Confident	64 Å²	64	46.1 Å²	46.1	39%	0.393	23%	0.231	S	C	.	.	S	Bend	trans	-109.1	-29.6	-179.4	54.7	0	0	0	0	112.9	D369	T365-D369 PolarHBondContact N-OD2 3.47Å; T365-D369 PolarHBondContact OG1-OD2 3.36Å
366	N	89.4	Confident	84.8	Confident	48 Å²	48	48.2 Å²	48.2	26%	0.257	25%	0.246	S	C	.	.	S	Bend	trans	-135.7	157.3	172.7	-46.6	-82.5	0	0	0	109.7	S368 D369 L387	N366-S368 VanDerWaalsContact C-N 3.28Å; N366-S368 PolarHBondContact O-N 3.45Å; N366-D369 PolarHBondContact N-OD2 3.17Å; N366-D369 PolarHBondContact ND2-OD1 3.4Å; N366-D369 VanDerWaalsContact O-CB 3.22Å; N366-D369 WeakPolarHBondContact O-CB 3.41Å; N366-D369 PolarHBondContact O-N 3.06Å; N366-L387 VanDerWaalsContact C-CD2 3.46Å
367	I	88.8	Confident	84.9	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-72.2	-27.7	176.8	-57.2	176.9	0	0	0	110.5	D369 L370 L382 L387 V390 D394 L395 Y398 L406	I367-D369 PolarHBondContact O-N 2.87Å; I367-D369 VanDerWaalsContact O-N 3.16Å; I367-L370 HydrophobicContact CG2-CD1 3.93Å; I367-L370 VanDerWaalsContact O-CB 3.31Å; I367-L370 WeakPolarHBondContact O-CB 3.27Å; I367-L370 VanDerWaalsContact O-CG 3.22Å; I367-L370 WeakPolarHBondContact O-CG 3.31Å; I367-L370 PolarHBondContact O-N 3.28Å; I367-L370 VanDerWaalsContact O-N 3.15Å; I367-L382 HydrophobicContact CD1-CD1 4.33Å; I367-L382 HydrophobicContact CG1-CD1 4.15Å; I367-L382 HydrophobicContact CG2-CD1 4.31Å; I367-L387 HydrophobicContact CD1-CD1 4.42Å; I367-L387 HydrophobicContact CG1-CD1 3.92Å; I367-L387 HydrophobicContact CG1-CD2 4.08Å; I367-V390 HydrophobicContact CD1-CG1 4.15Å; I367-V390 HydrophobicContact CD1-CG2 4.38Å; I367-D394 HydrophobicContact CB-CB 3.77Å; I367-D394 HydrophobicContact CD1-CB 4.48Å; I367-D394 HydrophobicContact CG2-CB 4.01Å; I367-L395 HydrophobicContact CD1-CD2 4.08Å; I367-L395 HydrophobicContact CG2-CD2 4.13Å; I367-Y398 HydrophobicContact CG2-CE2 4.45Å; I367-L406 HydrophobicContact CD1-CD2 3.92Å
368	S	86.5	Confident	84.8	Confident	55 Å²	55	49.5 Å²	49.5	39%	0.385	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-60.4	-14.4	168.8	-74.2	0	0	0	0	115.1	N366 L370 Q371 D394	N366-S368 VanDerWaalsContact C-N 3.28Å; N366-S368 PolarHBondContact O-N 3.45Å; S368-L370 PolarHBondContact O-N 2.84Å; S368-Q371 PolarHBondContact O-NE2 3.13Å; S368-D394 WeakPolarHBondContact CB-OD1 3.24Å; S368-D394 PolarHBondContact N-OD1 2.84Å; S368-D394 PolarHBondContact OG-OD1 2.94Å
369	D	85.6	Confident	85	Confident	58 Å²	58	49.6 Å²	49.6	31%	0.31	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-68.2	-13.7	173.9	-56.4	-13.2	0	0	0	112	F364 T365 N366 I367 Q371	F364-D369 HydrophobicContact CD1-CB 3.54Å; F364-D369 HydrophobicContact CE1-CB 4.07Å; F364-D369 HydrophobicContact CG-CB 4.5Å; T365-D369 PolarHBondContact N-OD2 3.47Å; T365-D369 PolarHBondContact OG1-OD2 3.36Å; N366-D369 PolarHBondContact N-OD2 3.17Å; N366-D369 PolarHBondContact ND2-OD1 3.4Å; N366-D369 VanDerWaalsContact O-CB 3.22Å; N366-D369 WeakPolarHBondContact O-CB 3.41Å; N366-D369 PolarHBondContact O-N 3.06Å; I367-D369 PolarHBondContact O-N 2.87Å; I367-D369 VanDerWaalsContact O-N 3.16Å; D369-Q371 PolarHBondContact O-N 2.93Å
370	L	84.6	Confident	85.1	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.252	C	S	.	.			trans	-71.9	85.4	179.2	-65.1	177.7	0	0	0	112.3	P341 C359 F364 I367 S368 P372 K373 L380 L382	P341-L370 HydrophobicContact CB-CB 4.32Å; P341-L370 HydrophobicContact CB-CD2 4.24Å; P341-L370 HydrophobicContact CG-CB 4.07Å; P341-L370 HydrophobicContact CG-CD2 4.25Å; C359-L370 HydrophobicContact CB-CD2 4.32Å; C359-L370 WeakPolarHBondContact SG-CD2 3.5Å; F364-L370 HydrophobicContact CD2-CD2 4.28Å; F364-L370 HydrophobicContact CE1-CD2 4.18Å; F364-L370 HydrophobicContact CE2-CD2 3.76Å; F364-L370 HydrophobicContact CZ-CD2 3.68Å; I367-L370 HydrophobicContact CG2-CD1 3.93Å; I367-L370 VanDerWaalsContact O-CB 3.31Å; I367-L370 WeakPolarHBondContact O-CB 3.27Å; I367-L370 VanDerWaalsContact O-CG 3.22Å; I367-L370 WeakPolarHBondContact O-CG 3.31Å; I367-L370 PolarHBondContact O-N 3.28Å; I367-L370 VanDerWaalsContact O-N 3.15Å; S368-L370 PolarHBondContact O-N 2.84Å; L370-P372 CarbonylContact O-C 3.05Å; L370-K373 WeakPolarHBondContact O-CA 3.4Å; L370-K373 PolarHBondContact O-N 2.93Å; L370-K373 VanDerWaalsContact O-N 3.14Å; L370-L380 HydrophobicContact CD1-CD1 4.35Å; L370-L382 HydrophobicContact CD1-CD1 4.47Å; L370-L382 HydrophobicContact CD1-CD2 4.26Å; L370-L382 HydrophobicContact CD2-CD2 4.23Å
371	Q	81.8	Confident	85.3	Confident	108 Å²	108	47.6 Å²	47.6	51%	0.505	24%	0.242	S	C	.	.	S	Bend	trans	-113.2	129.7	-177.3	-62.1	-58.6	-29.7	0	0	113.7	S342 S368 D369	S342-Q371 PolarHBondContact N-O 2.95Å; S342-Q371 PolarHBondContact OG-O 2.86Å; S368-Q371 PolarHBondContact O-NE2 3.13Å; D369-Q371 PolarHBondContact O-N 2.93Å
372	P	82.9	Confident	85.6	Confident	62 Å²	62	41 Å²	41	40%	0.403	21%	0.211	S	C	.	.	S	Bend	cis	-66.6	153.1	-11.9	31	-37	0	0	0	111.9	C340 P341 L370	C340-P372 WeakPolarHBondContact O-CD 3.16Å; C340-P372 WeakPolarHBondContact O-CG 3.47Å; P341-P372 WeakPolarHBondContact CA-O 3.2Å; P341-P372 WeakPolarHBondContact CG-O 3.21Å; L370-P372 CarbonylContact O-C 3.05Å
373	K	83.4	Confident	85.8	Confident	55 Å²	55	36.9 Å²	36.9	24%	0.239	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-53.8	138.9	172.4	-71.6	-165.7	-178.7	-168.8	0	110.4	T339 L370 E397	T339-K373 WeakPolarHBondContact CB-O 3.29Å; T339-K373 PolarHBondContact OG1-O 2.82Å; L370-K373 WeakPolarHBondContact O-CA 3.4Å; L370-K373 PolarHBondContact O-N 2.93Å; L370-K373 VanDerWaalsContact O-N 3.14Å; K373-E397 IonicContact NZ-OE1 2.65Å; K373-E397 PolarHBondContact NZ-OE1 3.03Å
374	P	82	Confident	85.5	Confident	4 Å²	4	31.6 Å²	31.6	3%	0.026	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-72.8	128.6	175.5	28.6	-31.8	0	0	0	111.3	T339 P341 L355 V357 S376 P377 Y398	T339-P374 WeakPolarHBondContact O-CA 3.21Å; P341-P374 HydrophobicContact CG-CG 4.44Å; L355-P374 HydrophobicContact CD2-CB 3.99Å; V357-P374 HydrophobicContact CG2-CB 3.84Å; V357-P374 HydrophobicContact CG2-CG 4.32Å; P374-S376 PolarHBondContact O-N 3.03Å; P374-P377 HydrophobicContact CB-CB 4.43Å; P374-P377 HydrophobicContact CG-CB 4.36Å; P374-P377 HydrophobicContact CG-CG 4.19Å; P374-P377 WeakPolarHBondContact O-CD 3.16Å; P374-Y398 WeakPolarHBondContact CD-OH 3.33Å; P374-Y398 HydrophobicContact CG-CE1 3.88Å
375	T	77.8	Confident	85.6	Confident	48 Å²	48	30.8 Å²	30.8	29%	0.294	18%	0.179	S	C	.	.	S	Bend	trans	-70.9	125.6	169.1	36.5	0	0	0	0	110.8	V336 P337 L338 T339	V336-T375 HydrophobicContact CG1-CG2 4.37Å; P337-T375 PolarHBondContact O-OG1 2.82Å; P337-T375 VanDerWaalsContact O-OG1 3.06Å; L338-T375 WeakPolarHBondContact CA-OG1 3.3Å; T339-T375 PolarHBondContact N-OG1 2.93Å; T339-T375 PolarHBondContact OG1-N 3.23Å; T339-T375 PolarHBondContact OG1-OG1 3.06Å
376	S	78.8	Confident	85.8	Confident	49 Å²	49	32 Å²	32	34%	0.343	18%	0.177	S	C	.	.	S	Bend	trans	44.4	60.5	174.3	56.1	0	0	0	0	114.3	L355 P374 S400	L355-S376 PolarHBondContact N-O 2.97Å; P374-S376 PolarHBondContact O-N 3.03Å; S376-S400 VanDerWaalsContact CA-OG 3.26Å; S376-S400 WeakPolarHBondContact CA-OG 3.49Å
377	P	85.7	Confident	86.1	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	139.8	171.9	31.8	-35	0	0	0	109.7	L355 V357 P374 Y398 S400 L401	L355-P377 CarbonylContact O-C 3.32Å; L355-P377 VanDerWaalsContact O-CA 3.3Å; L355-P377 WeakPolarHBondContact O-CA 3.43Å; V357-P377 HydrophobicContact CG2-CB 4.13Å; P374-P377 HydrophobicContact CB-CB 4.43Å; P374-P377 HydrophobicContact CG-CB 4.36Å; P374-P377 HydrophobicContact CG-CG 4.19Å; P374-P377 WeakPolarHBondContact O-CD 3.16Å; P377-Y398 HydrophobicContact CG-CD1 3.46Å; P377-Y398 VanDerWaalsContact CG-CD1 3.46Å; P377-Y398 HydrophobicContact CG-CE1 4.08Å; P377-Y398 HydrophobicContact CG-CG 3.77Å; P377-S400 CarbonylContact O-C 3.29Å; P377-S400 VanDerWaalsContact O-C 3.24Å; P377-S400 PolarHBondContact O-OG 2.86Å; P377-L401 HydrophobicContact CB-CD2 3.89Å; P377-L401 HydrophobicContact CG-CD2 4.02Å; P377-L401 HydrophobicContact CG-CG 4.26Å; P377-L401 PolarHBondContact O-N 3.34Å
378	K	85.8	Confident	86.3	Confident	38 Å²	38	35 Å²	35	17%	0.165	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-29.4	173.6	-170.9	176.3	174.2	-165.2	0	111.7	D352 L355 S400 D402 L403	D352-K378 IonicContact OD2-NZ 3.9Å; D352-K378 PolarHBondContact OD2-NZ 3.16Å; L355-K378 PolarHBondContact O-N 3.35Å; K378-S400 WeakPolarHBondContact CA-O 3.27Å; K378-D402 HydrophobicContact CG-CB 3.79Å; K378-D402 WeakPolarHBondContact O-CB 3.29Å; K378-D402 PolarHBondContact O-N 2.82Å; K378-L403 PolarHBondContact O-N 3.12Å
379	K	87.1	Confident	86.6	Confident	3 Å²	3	33.8 Å²	33.8	1%	0.013	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	133.4	170.6	-57.7	-167.9	174.1	-172.6	0	109.3	E240 D253 Q256 L355 N356 V357 Y381 L403	E240-K379 WeakPolarHBondContact OE1-CE 3.19Å; E240-K379 IonicContact OE1-NZ 2.59Å; E240-K379 PolarHBondContact OE1-NZ 3.18Å; E240-K379 WeakPolarHBondContact OE2-CD 3.44Å; E240-K379 WeakPolarHBondContact OE2-CE 3.28Å; E240-K379 IonicContact OE2-NZ 2.75Å; E240-K379 PolarHBondContact OE2-NZ 3.25Å; D253-K379 IonicContact OD2-NZ 3.23Å; D253-K379 PolarHBondContact OD2-NZ 2.76Å; Q256-K379 VanDerWaalsContact NE2-NZ 3.1Å; L355-K379 PolarHBondContact O-N 3.37Å; N356-K379 HydrophobicContact CB-CB 4.43Å; V357-K379 PolarHBondContact N-O 3.01Å; K379-Y381 HydrophobicContact CB-CE2 4.01Å; K379-L403 WeakPolarHBondContact CA-O 3.31Å; K379-L403 HydrophobicContact CB-CB 4.4Å; K379-L403 HydrophobicContact CD-CB 4.41Å; K379-L403 HydrophobicContact CG-CB 4.1Å
380	L	89.9	Confident	87	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	114.5	-178.9	177.6	58	0	0	0	110.9	V357 L370 L382 Y398 L401 L403 L404 H405	V357-L380 HydrophobicContact CB-CD1 3.89Å; V357-L380 HydrophobicContact CG1-CD1 3.75Å; V357-L380 WeakPolarHBondContact O-CA 3.15Å; L370-L380 HydrophobicContact CD1-CD1 4.35Å; L380-L382 HydrophobicContact CD1-CD1 4.21Å; L380-L382 HydrophobicContact CD1-CG 4.16Å; L380-L382 HydrophobicContact CD2-CD1 3.91Å; L380-L382 HydrophobicContact CG-CD1 3.89Å; L380-L382 HydrophobicContact CG-CG 4.19Å; L380-Y398 HydrophobicContact CD2-CD2 4.43Å; L380-Y398 HydrophobicContact CD2-CE2 4.32Å; L380-L401 HydrophobicContact CB-CD2 3.77Å; L380-L403 PolarHBondContact N-O 3.08Å; L380-L404 HydrophobicContact CB-CD1 4.14Å; L380-L404 HydrophobicContact CD2-CD1 3.95Å; L380-L404 HydrophobicContact CG-CD1 4.09Å; L380-H405 PolarHBondContact O-N 2.88Å
381	Y	88.5	Confident	87.3	Confident	5 Å²	5	35.6 Å²	35.6	2%	0.02	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116	179.2	-59.7	-89	0	0	0	111.1	E240 V242 V357 N358 C359 K379 L403 H405	E240-Y381 PolarHBondContact OE2-OH 2.85Å; V242-Y381 HydrophobicContact CG2-CE1 3.85Å; V242-Y381 VanDerWaalsContact CG2-OH 3.28Å; V242-Y381 WeakPolarHBondContact CG2-OH 3.48Å; V357-Y381 PolarHBondContact O-N 3.31Å; N358-Y381 HydrophobicContact CB-CD2 4.31Å; C359-Y381 CarbonylContact C-O 2.96Å; C359-Y381 WeakPolarHBondContact CA-O 2.97Å; C359-Y381 VanDerWaalsContact CB-O 3.3Å; C359-Y381 WeakPolarHBondContact CB-O 3.24Å; C359-Y381 PolarHBondContact N-O 3.41Å; K379-Y381 HydrophobicContact CB-CE2 4.01Å; Y381-L403 HydrophobicContact CD1-CD2 4.12Å; Y381-L403 HydrophobicContact CE1-CD1 4.39Å; Y381-L403 HydrophobicContact CE1-CD2 3.6Å; Y381-L403 HydrophobicContact CE2-CD2 4.3Å; Y381-H405 HydrophobicContact CD1-CB 3.81Å; Y381-H405 AromaticContact CD1-CD2 3.92Å; Y381-H405 HydrophobicContact CE1-CB 4.39Å
382	L	89.5	Confident	87.7	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.			trans	-123.9	23.3	-178.2	-76.5	162.6	0	0	0	112.1	C359 F364 I367 L370 L380 N385 L387 H405 L406 N409	C359-L382 HydrophobicContact CB-CD2 3.63Å; C359-L382 HydrophobicContact CB-CG 4.41Å; F364-L382 HydrophobicContact CD2-CD2 4.29Å; I367-L382 HydrophobicContact CD1-CD1 4.33Å; I367-L382 HydrophobicContact CG1-CD1 4.15Å; I367-L382 HydrophobicContact CG2-CD1 4.31Å; L370-L382 HydrophobicContact CD1-CD1 4.47Å; L370-L382 HydrophobicContact CD1-CD2 4.26Å; L370-L382 HydrophobicContact CD2-CD2 4.23Å; L380-L382 HydrophobicContact CD1-CD1 4.21Å; L380-L382 HydrophobicContact CD1-CG 4.16Å; L380-L382 HydrophobicContact CD2-CD1 3.91Å; L380-L382 HydrophobicContact CG-CD1 3.89Å; L380-L382 HydrophobicContact CG-CG 4.19Å; L382-N385 VanDerWaalsContact C-ND2 3.27Å; L382-N385 PolarHBondContact O-ND2 3.25Å; L382-L387 HydrophobicContact CB-CD1 4.12Å; L382-L387 HydrophobicContact CD1-CD1 4.34Å; L382-H405 WeakPolarHBondContact CA-O 3.29Å; L382-H405 PolarHBondContact N-O 3.03Å; L382-L406 HydrophobicContact CB-CD2 4.07Å; L382-L406 HydrophobicContact CD1-CD2 3.87Å; L382-N409 PolarHBondContact O-ND2 3.46Å
383	T	87.9	Confident	87.9	Confident	18 Å²	18	36.2 Å²	36.2	11%	0.11	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	151.2	-174.5	86.1	0	0	0	0	112.8	Q360 E361 N385 H405 G407	Q360-T383 WeakPolarHBondContact CA-O 3.35Å; Q360-T383 HydrophobicContact CG-CG2 4.32Å; Q360-T383 WeakPolarHBondContact CG-OG1 3.35Å; Q360-T383 PolarHBondContact NE2-OG1 3.13Å; E361-T383 PolarHBondContact N-O 3.12Å; T383-N385 VanDerWaalsContact C-N 3.27Å; T383-N385 PolarHBondContact O-N 2.98Å; T383-N385 PolarHBondContact O-ND2 3.11Å; T383-H405 HydrophobicContact CG2-CB 3.99Å; T383-H405 VanDerWaalsContact CG2-CG 3.41Å; T383-H405 WeakPolarHBondContact CG2-ND1 3.42Å; T383-G407 VanDerWaalsContact CA-O 3.27Å; T383-G407 WeakPolarHBondContact CA-O 3.31Å; T383-G407 WeakPolarHBondContact CB-O 3.47Å
384	G	82.6	Confident	88.1	Confident	27 Å²	27	33.7 Å²	33.7	28%	0.278	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	21	177.4	0	0	0	0	0	114.5	N408	G384-N408 WeakPolarHBondContact CA-O 3.16Å; G384-N408 PolarHBondContact N-O 3.3Å
385	N	90.9	Very high	88.4	Confident	3 Å²	3	33.5 Å²	33.5	2%	0.016	17%	0.171	C	C	.	.	S	Bend	trans	-98	-171.3	175.9	-73.7	-74.2	0	0	0	110.8	C359 R362 K363 F364 L382 T383 L387 N409	C359-N385 PolarHBondContact O-ND2 3.04Å; R362-N385 VanDerWaalsContact C-OD1 3.31Å; R362-N385 WeakPolarHBondContact CA-OD1 3.45Å; R362-N385 PolarHBondContact N-OD1 2.88Å; R362-N385 VanDerWaalsContact N-OD1 3.08Å; K363-N385 PolarHBondContact N-OD1 2.91Å; F364-N385 HydrophobicContact CB-CB 4.3Å; F364-N385 PolarHBondContact N-OD1 2.92Å; L382-N385 VanDerWaalsContact C-ND2 3.27Å; L382-N385 PolarHBondContact O-ND2 3.25Å; T383-N385 VanDerWaalsContact C-N 3.27Å; T383-N385 PolarHBondContact O-N 2.98Å; T383-N385 PolarHBondContact O-ND2 3.11Å; N385-L387 HydrophobicContact CB-CG 4.33Å; N385-N409 WeakPolarHBondContact CA-OD1 3.33Å; N385-N409 WeakPolarHBondContact CB-OD1 3.37Å; N385-N409 PolarHBondContact N-OD1 2.99Å; N385-N409 PolarHBondContact O-OD1 3.27Å
386	Y	93.2	Very high	88.7	Confident	88 Å²	88	34.4 Å²	34.4	35%	0.345	17%	0.174	S	C	.	.			trans	-116.9	33.6	-179	-53.8	-39.6	0	0	0	111.8	K363 F364 Q388	K363-Y386 HydrophobicContact CB-CD2 3.88Å; K363-Y386 HydrophobicContact CB-CE2 3.64Å; K363-Y386 HydrophobicContact CD-CE2 4.01Å; K363-Y386 HydrophobicContact CG-CD2 4.35Å; K363-Y386 HydrophobicContact CG-CE2 3.62Å; F364-Y386 CarbonylContact O-C 3.58Å; F364-Y386 VanDerWaalsContact O-C 3.29Å; F364-Y386 WeakPolarHBondContact O-CA 3.22Å; F364-Y386 PolarHBondContact O-N 2.8Å; Y386-Q388 PolarHBondContact O-N 2.89Å
387	L	94.4	Very high	88.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.			trans	-61.9	124.4	176	-58.4	177.3	0	0	0	109.7	F364 N366 I367 L382 N385 L406 N409 R410 I411	F364-L387 HydrophobicContact CB-CD2 4.3Å; F364-L387 PolarHBondContact O-N 3.45Å; N366-L387 VanDerWaalsContact C-CD2 3.46Å; I367-L387 HydrophobicContact CD1-CD1 4.42Å; I367-L387 HydrophobicContact CG1-CD1 3.92Å; I367-L387 HydrophobicContact CG1-CD2 4.08Å; L382-L387 HydrophobicContact CB-CD1 4.12Å; L382-L387 HydrophobicContact CD1-CD1 4.34Å; N385-L387 HydrophobicContact CB-CG 4.33Å; L387-L406 HydrophobicContact CD1-CD2 3.59Å; L387-N409 HydrophobicContact CB-CB 4.3Å; L387-N409 WeakPolarHBondContact CB-OD1 3.44Å; L387-N409 VanDerWaalsContact CG-OD1 3.3Å; L387-N409 WeakPolarHBondContact CG-OD1 3.24Å; L387-N409 PolarHBondContact N-OD1 3.3Å; L387-R410 CarbonylContact O-C 3.5Å; L387-R410 VanDerWaalsContact O-CA 3.28Å; L387-R410 WeakPolarHBondContact O-CA 3.4Å; L387-R410 PolarHBondContact O-N 3.07Å; L387-I411 HydrophobicContact CB-CD1 4.33Å; L387-I411 HydrophobicContact CB-CG1 3.99Å; L387-I411 WeakPolarHBondContact O-CG1 3.36Å; L387-I411 PolarHBondContact O-N 2.85Å; L387-I411 VanDerWaalsContact O-N 3.07Å
388	Q	92.8	Very high	89	Confident	112 Å²	112	37.6 Å²	37.6	52%	0.523	18%	0.183	S	C	.	.			trans	-104.7	-33.6	-179.3	-69.5	172.5	53.6	0	0	113	Y386 R410 I411 A412	Y386-Q388 PolarHBondContact O-N 2.89Å; Q388-R410 HydrophobicContact CG-CB 4.27Å; Q388-I411 WeakPolarHBondContact O-CA 3.37Å; Q388-A412 PolarHBondContact O-N 2.76Å
389	T	93	Very high	89	Confident	30 Å²	30	38.7 Å²	38.7	18%	0.184	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	140.2	-178.4	-54.5	0	0	0	0	109.3	Y391 V413	T389-Y391 HydrophobicContact CG2-CD1 3.94Å; T389-Y391 HydrophobicContact CG2-CD2 4.35Å; T389-Y391 HydrophobicContact CG2-CE1 3.64Å; T389-Y391 HydrophobicContact CG2-CE2 4.07Å; T389-Y391 HydrophobicContact CG2-CG 4.29Å; T389-V413 VanDerWaalsContact CA-O 3.29Å; T389-V413 WeakPolarHBondContact CA-O 3.41Å; T389-V413 HydrophobicContact CG2-CB 4.31Å; T389-V413 HydrophobicContact CG2-CG1 4.41Å
390	V	94.1	Very high	89.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	110.5	168	-179.1	0	0	0	0	108	I367 L395 L406 I411 V413 I414 Q415 A418 F419	I367-V390 HydrophobicContact CD1-CG1 4.15Å; I367-V390 HydrophobicContact CD1-CG2 4.38Å; V390-L395 HydrophobicContact CG1-CD1 3.69Å; V390-L395 HydrophobicContact CG1-CG 4.49Å; V390-L406 HydrophobicContact CG2-CD1 4.15Å; V390-I411 HydrophobicContact CG2-CD1 3.93Å; V390-I411 HydrophobicContact CG2-CG1 4.47Å; V390-I411 HydrophobicContact CG2-CG2 4.12Å; V390-V413 PolarHBondContact N-O 3.25Å; V390-V413 VanDerWaalsContact N-O 3.08Å; V390-I414 HydrophobicContact CB-CB 4.47Å; V390-I414 HydrophobicContact CB-CG1 4.22Å; V390-I414 HydrophobicContact CB-CG2 4.24Å; V390-I414 HydrophobicContact CG2-CG1 4.2Å; V390-Q415 WeakPolarHBondContact O-CB 3.38Å; V390-Q415 PolarHBondContact O-N 2.93Å; V390-A418 HydrophobicContact CG1-CB 4.12Å; V390-F419 HydrophobicContact CG1-CE1 4.12Å
391	Y	91.9	Very high	89.1	Confident	97 Å²	97	40.5 Å²	40.5	38%	0.38	21%	0.208	S	C	.	.			trans	-88	151.2	-177.5	-60.7	-82.6	0	0	0	111.7	T389 N393 D394	T389-Y391 HydrophobicContact CG2-CD1 3.94Å; T389-Y391 HydrophobicContact CG2-CD2 4.35Å; T389-Y391 HydrophobicContact CG2-CE1 3.64Å; T389-Y391 HydrophobicContact CG2-CE2 4.07Å; T389-Y391 HydrophobicContact CG2-CG 4.29Å; Y391-N393 PolarHBondContact O-N 2.71Å; Y391-D394 WeakPolarHBondContact CB-OD2 3.35Å; Y391-D394 WeakPolarHBondContact CD2-OD2 3.42Å; Y391-D394 PolarHBondContact N-OD2 2.99Å; Y391-D394 WeakPolarHBondContact O-CB 3.39Å; Y391-D394 PolarHBondContact O-N 3.48Å; Y391-D394 VanDerWaalsContact O-N 3.08Å
392	K	89.1	Confident	89.1	Confident	74 Å²	74	41.5 Å²	41.5	32%	0.322	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-57.5	-35.8	179.2	-170.1	171.3	-159.4	141.4	0	113	D394 L396 Q415 E416 G417	K392-D394 VanDerWaalsContact C-N 3.33Å; K392-D394 PolarHBondContact O-N 3.47Å; K392-L396 WeakPolarHBondContact O-CG 3.39Å; K392-Q415 HydrophobicContact CB-CG 4.29Å; K392-E416 WeakPolarHBondContact CD-O 3.17Å; K392-E416 PolarHBondContact NZ-O 3.07Å; K392-G417 WeakPolarHBondContact CE-O 3.45Å
393	N	87.5	Confident	89.2	Confident	109 Å²	109	41.6 Å²	41.6	58%	0.583	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-79.2	-12.5	-177.4	-63.1	-16.2	0	0	0	113.9	Y391 L396	Y391-N393 PolarHBondContact O-N 2.71Å; N393-L396 HydrophobicContact CB-CD1 4.4Å
394	D	87.3	Confident	89.5	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.011	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-69.6	-36.6	-178.9	-75.2	-38.1	0	0	0	112.2	I367 S368 Y391 K392 Y398	I367-D394 HydrophobicContact CB-CB 3.77Å; I367-D394 HydrophobicContact CD1-CB 4.48Å; I367-D394 HydrophobicContact CG2-CB 4.01Å; S368-D394 WeakPolarHBondContact CB-OD1 3.24Å; S368-D394 PolarHBondContact N-OD1 2.84Å; S368-D394 PolarHBondContact OG-OD1 2.94Å; Y391-D394 WeakPolarHBondContact CB-OD2 3.35Å; Y391-D394 WeakPolarHBondContact CD2-OD2 3.42Å; Y391-D394 PolarHBondContact N-OD2 2.99Å; Y391-D394 WeakPolarHBondContact O-CB 3.39Å; Y391-D394 PolarHBondContact O-N 3.48Å; Y391-D394 VanDerWaalsContact O-N 3.08Å; K392-D394 VanDerWaalsContact C-N 3.33Å; K392-D394 PolarHBondContact O-N 3.47Å; D394-Y398 WeakPolarHBondContact O-CE2 3.21Å
395	L	88.9	Confident	89.9	Confident	1 Å²	1	40 Å²	40	1%	0.005	20%	0.199	C	C	.	.	S	Bend	trans	-113	-0.2	-164.7	-55.5	176	0	0	0	114.2	I367 V390 E397 Y398 L404 F419 L422	I367-L395 HydrophobicContact CD1-CD2 4.08Å; I367-L395 HydrophobicContact CG2-CD2 4.13Å; V390-L395 HydrophobicContact CG1-CD1 3.69Å; V390-L395 HydrophobicContact CG1-CG 4.49Å; L395-E397 PolarHBondContact O-N 2.85Å; L395-E397 VanDerWaalsContact O-N 3.09Å; L395-Y398 HydrophobicContact CB-CD2 4.33Å; L395-Y398 HydrophobicContact CD2-CD2 3.62Å; L395-Y398 HydrophobicContact CD2-CE2 3.86Å; L395-Y398 PolarHBondContact O-N 2.96Å; L395-Y398 VanDerWaalsContact O-N 3.1Å; L395-L404 HydrophobicContact CD1-CD2 4.22Å; L395-F419 HydrophobicContact CD1-CD1 3.58Å; L395-F419 HydrophobicContact CD1-CE1 3.51Å; L395-L422 HydrophobicContact CB-CD2 4.46Å; L395-L422 HydrophobicContact CD1-CD1 4.25Å
396	L	84.8	Confident	90.1	Very high	66 Å²	66	39.9 Å²	39.9	35%	0.346	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-36	-175.9	-72	173.2	0	0	0	114.7	K392 N393 N421	K392-L396 WeakPolarHBondContact O-CG 3.39Å; N393-L396 HydrophobicContact CB-CD1 4.4Å; L396-N421 PolarHBondContact O-ND2 3.08Å
397	E	82.2	Confident	90	Very high	114 Å²	114	35.7 Å²	35.7	53%	0.533	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-2.3	-172.7	-69.2	162.3	-121.7	0	0	113.3	K373 L395	K373-E397 IonicContact NZ-OE1 2.65Å; K373-E397 PolarHBondContact NZ-OE1 3.03Å; L395-E397 PolarHBondContact O-N 2.85Å; L395-E397 VanDerWaalsContact O-N 3.09Å
398	Y	87.6	Confident	89.8	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.008	20%	0.203	C	C	.	.			trans	-102.8	32.8	-168.8	-55	-29.4	0	0	0	114	I367 P374 P377 L380 D394 L395 S400 L401 L422	I367-Y398 HydrophobicContact CG2-CE2 4.45Å; P374-Y398 WeakPolarHBondContact CD-OH 3.33Å; P374-Y398 HydrophobicContact CG-CE1 3.88Å; P377-Y398 HydrophobicContact CG-CD1 3.46Å; P377-Y398 VanDerWaalsContact CG-CD1 3.46Å; P377-Y398 HydrophobicContact CG-CE1 4.08Å; P377-Y398 HydrophobicContact CG-CG 3.77Å; L380-Y398 HydrophobicContact CD2-CD2 4.43Å; L380-Y398 HydrophobicContact CD2-CE2 4.32Å; D394-Y398 WeakPolarHBondContact O-CE2 3.21Å; L395-Y398 HydrophobicContact CB-CD2 4.33Å; L395-Y398 HydrophobicContact CD2-CD2 3.62Å; L395-Y398 HydrophobicContact CD2-CE2 3.86Å; L395-Y398 PolarHBondContact O-N 2.96Å; L395-Y398 VanDerWaalsContact O-N 3.1Å; Y398-S400 PolarHBondContact O-N 3.07Å; Y398-L401 HydrophobicContact CD2-CD1 4.3Å; Y398-L401 HydrophobicContact CG-CD1 4.32Å; Y398-L401 WeakPolarHBondContact O-CB 3.46Å; Y398-L401 WeakPolarHBondContact O-CG 3.29Å; Y398-L401 PolarHBondContact O-N 3.43Å; Y398-L422 VanDerWaalsContact O-CD2 3.31Å; Y398-L422 WeakPolarHBondContact O-CD2 3.25Å
399	S	86.9	Confident	89.8	Confident	61 Å²	61	34.8 Å²	34.8	43%	0.427	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-14	-177.3	56.6	0	0	0	0	115.6	N421 S424	S399-N421 VanDerWaalsContact CA-O 3.23Å; S399-N421 WeakPolarHBondContact CA-O 3.44Å; S399-N421 WeakPolarHBondContact CB-O 3.4Å; S399-S424 WeakPolarHBondContact O-CB 3.49Å; S399-S424 PolarHBondContact O-OG 3.37Å
400	S	87.6	Confident	89.8	Confident	41 Å²	41	39.1 Å²	39.1	29%	0.287	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-2.4	173.6	55.3	0	0	0	0	115	S376 P377 K378 Y398 D402	S376-S400 VanDerWaalsContact CA-OG 3.26Å; S376-S400 WeakPolarHBondContact CA-OG 3.49Å; P377-S400 CarbonylContact O-C 3.29Å; P377-S400 VanDerWaalsContact O-C 3.24Å; P377-S400 PolarHBondContact O-OG 2.86Å; K378-S400 WeakPolarHBondContact CA-O 3.27Å; Y398-S400 PolarHBondContact O-N 3.07Å; S400-D402 PolarHBondContact O-N 2.75Å
401	L	90.8	Very high	89.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.193	C	C	.	.			trans	-64.9	134	-179.9	-76.4	173.2	0	0	0	111.8	P377 L380 Y398 L422 S424 L425	P377-L401 HydrophobicContact CB-CD2 3.89Å; P377-L401 HydrophobicContact CG-CD2 4.02Å; P377-L401 HydrophobicContact CG-CG 4.26Å; P377-L401 PolarHBondContact O-N 3.34Å; L380-L401 HydrophobicContact CB-CD2 3.77Å; Y398-L401 HydrophobicContact CD2-CD1 4.3Å; Y398-L401 HydrophobicContact CG-CD1 4.32Å; Y398-L401 WeakPolarHBondContact O-CB 3.46Å; Y398-L401 WeakPolarHBondContact O-CG 3.29Å; Y398-L401 PolarHBondContact O-N 3.43Å; L401-L422 HydrophobicContact CD1-CD2 4.09Å; L401-S424 CarbonylContact O-C 3.29Å; L401-S424 WeakPolarHBondContact O-CB 3.48Å; L401-L425 HydrophobicContact CB-CD1 3.75Å; L401-L425 WeakPolarHBondContact O-CA 3.32Å; L401-L425 PolarHBondContact O-N 3.46Å
402	D	88.5	Confident	90	Very high	26 Å²	26	37 Å²	37	14%	0.139	20%	0.196	C	C	.	.	S	Bend	trans	-108.4	-33.7	175.1	-176.6	62.5	0	0	0	109.5	K378 S400 R426 R427	K378-D402 HydrophobicContact CG-CB 3.79Å; K378-D402 WeakPolarHBondContact O-CB 3.29Å; K378-D402 PolarHBondContact O-N 2.82Å; S400-D402 PolarHBondContact O-N 2.75Å; D402-R426 PolarHBondContact O-N 3.08Å; D402-R426 WeakPolarHBondContact OD1-CD 3.39Å; D402-R426 IonicContact OD1-NE 2.69Å; D402-R426 PolarHBondContact OD1-NE 2.94Å; D402-R426 VanDerWaalsContact OD1-NE 3.08Å; D402-R427 PolarHBondContact O-N 2.78Å; D402-R427 VanDerWaalsContact O-N 3.1Å
403	L	91.1	Very high	90.2	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.2	172.5	177.4	155.2	0	0	0	112.6	E240 K378 K379 L380 Y381 H405 R427 Y429	E240-L403 HydrophobicContact CG-CD1 4.08Å; E240-L403 WeakPolarHBondContact OE1-CD1 3.27Å; K378-L403 PolarHBondContact O-N 3.12Å; K379-L403 WeakPolarHBondContact CA-O 3.31Å; K379-L403 HydrophobicContact CB-CB 4.4Å; K379-L403 HydrophobicContact CD-CB 4.41Å; K379-L403 HydrophobicContact CG-CB 4.1Å; L380-L403 PolarHBondContact N-O 3.08Å; Y381-L403 HydrophobicContact CD1-CD2 4.12Å; Y381-L403 HydrophobicContact CE1-CD1 4.39Å; Y381-L403 HydrophobicContact CE1-CD2 3.6Å; Y381-L403 HydrophobicContact CE2-CD2 4.3Å; L403-H405 HydrophobicContact CD2-CB 4.06Å; L403-R427 WeakPolarHBondContact CA-O 3.29Å; L403-R427 HydrophobicContact CB-CB 4.07Å; L403-R427 HydrophobicContact CD1-CB 4.11Å; L403-R427 HydrophobicContact CG-CB 4Å; L403-Y429 HydrophobicContact CD1-CE2 3.82Å; L403-Y429 HydrophobicContact CG-CE2 4.17Å
404	L	94	Very high	90.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	117.9	172.4	176.8	57.5	0	0	0	109.7	L380 L395 L406 F419 L422 L425 R427 L428 Y429	L380-L404 HydrophobicContact CB-CD1 4.14Å; L380-L404 HydrophobicContact CD2-CD1 3.95Å; L380-L404 HydrophobicContact CG-CD1 4.09Å; L395-L404 HydrophobicContact CD1-CD2 4.22Å; L404-L406 HydrophobicContact CD1-CD1 4.34Å; L404-L406 HydrophobicContact CD1-CD2 4.43Å; L404-L406 HydrophobicContact CD1-CG 4.07Å; L404-L406 HydrophobicContact CD2-CD1 3.95Å; L404-L406 HydrophobicContact CG-CD1 4.02Å; L404-L406 HydrophobicContact CG-CG 4.07Å; L404-F419 HydrophobicContact CD2-CE1 4.11Å; L404-L422 HydrophobicContact CD2-CD1 4Å; L404-L425 HydrophobicContact CB-CD1 3.8Å; L404-L425 HydrophobicContact CB-CD2 4.23Å; L404-R427 PolarHBondContact N-O 3.04Å; L404-L428 HydrophobicContact CB-CD1 4.21Å; L404-L428 HydrophobicContact CD2-CD1 4.08Å; L404-L428 HydrophobicContact CG-CD1 4.11Å; L404-Y429 PolarHBondContact O-N 3.09Å
405	H	91.8	Very high	90.7	Very high	13 Å²	13	36.5 Å²	36.5	6%	0.06	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	102.7	-178.1	-155.7	-28.8	0	0	0	111	E215 L380 Y381 L382 T383 L403 Y429	E215-H405 IonicContact OE1-CE1 3.43Å; E215-H405 IonicContact OE1-NE2 3.25Å; L380-H405 PolarHBondContact O-N 2.88Å; Y381-H405 HydrophobicContact CD1-CB 3.81Å; Y381-H405 AromaticContact CD1-CD2 3.92Å; Y381-H405 HydrophobicContact CE1-CB 4.39Å; L382-H405 WeakPolarHBondContact CA-O 3.29Å; L382-H405 PolarHBondContact N-O 3.03Å; T383-H405 HydrophobicContact CG2-CB 3.99Å; T383-H405 VanDerWaalsContact CG2-CG 3.41Å; T383-H405 WeakPolarHBondContact CG2-ND1 3.42Å; L403-H405 HydrophobicContact CD2-CB 4.06Å; H405-Y429 HydrophobicContact CB-CD2 4.25Å; H405-Y429 AromaticContact CD2-CD2 3.93Å; H405-Y429 AromaticContact CD2-CG 3.97Å; H405-Y429 AromaticContact CE1-CG 3.83Å; H405-Y429 AromaticContact CG-CD2 3.92Å; H405-Y429 AromaticContact CG-CG 3.9Å; H405-Y429 VanDerWaalsContact ND1-CB 3.29Å; H405-Y429 WeakPolarHBondContact ND1-CB 3.33Å; H405-Y429 AromaticContact ND1-CG 3.82Å; H405-Y429 AromaticContact NE2-CG 3.96Å
406	L	94.4	Very high	90.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.226	C	C	.	.			trans	-109.7	1.2	179.9	-69.8	168.5	0	0	0	112.6	I367 L382 L387 V390 L404 N409 I411 Y429 L430 N433	I367-L406 HydrophobicContact CD1-CD2 3.92Å; L382-L406 HydrophobicContact CB-CD2 4.07Å; L382-L406 HydrophobicContact CD1-CD2 3.87Å; L387-L406 HydrophobicContact CD1-CD2 3.59Å; V390-L406 HydrophobicContact CG2-CD1 4.15Å; L404-L406 HydrophobicContact CD1-CD1 4.34Å; L404-L406 HydrophobicContact CD1-CD2 4.43Å; L404-L406 HydrophobicContact CD1-CG 4.07Å; L404-L406 HydrophobicContact CD2-CD1 3.95Å; L404-L406 HydrophobicContact CG-CD1 4.02Å; L404-L406 HydrophobicContact CG-CG 4.07Å; L406-N409 WeakPolarHBondContact O-CB 3.45Å; L406-N409 PolarHBondContact O-ND2 3.15Å; L406-I411 HydrophobicContact CB-CD1 3.83Å; L406-I411 HydrophobicContact CD1-CD1 4.39Å; L406-I411 HydrophobicContact CD2-CD1 4.32Å; L406-I411 HydrophobicContact CG-CD1 4.41Å; L406-Y429 CarbonylContact C-O 3.39Å; L406-Y429 WeakPolarHBondContact CA-O 3.42Å; L406-Y429 PolarHBondContact N-O 3.45Å; L406-L430 HydrophobicContact CB-CD2 3.88Å; L406-L430 HydrophobicContact CD1-CD2 4.04Å; L406-N433 PolarHBondContact O-ND2 3.45Å; L406-N433 VanDerWaalsContact O-ND2 3.12Å
407	G	90.8	Very high	90.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.			trans	-57.4	158.8	177.6	0	0	0	0	0	115.8	T383 N409 Y429 N431	T383-G407 VanDerWaalsContact CA-O 3.27Å; T383-G407 WeakPolarHBondContact CA-O 3.31Å; T383-G407 WeakPolarHBondContact CB-O 3.47Å; G407-N409 PolarHBondContact O-ND2 3.03Å; G407-N409 VanDerWaalsContact O-ND2 3.13Å; G407-Y429 PolarHBondContact N-O 2.9Å; G407-N431 CarbonylContact C-O 3.06Å; G407-N431 WeakPolarHBondContact CA-O 3.48Å; G407-N431 VanDerWaalsContact CA-OD1 3.32Å; G407-N431 WeakPolarHBondContact CA-OD1 3.39Å
408	N	90.3	Very high	91.3	Very high	82 Å²	82	34.4 Å²	34.4	44%	0.439	19%	0.186	S	C	.	.	S	Bend	trans	51.4	57.2	-175.6	-69.9	-43.6	0	0	0	112.2	G384 N431 G432	G384-N408 WeakPolarHBondContact CA-O 3.16Å; G384-N408 PolarHBondContact N-O 3.3Å; N408-N431 PolarHBondContact N-O 3.16Å; N408-G432 VanDerWaalsContact CA-O 3.24Å; N408-G432 WeakPolarHBondContact CA-O 3.28Å; N408-G432 PolarHBondContact N-O 3.15Å
409	N	92.9	Very high	91.6	Very high	10 Å²	10	34.3 Å²	34.3	5%	0.053	19%	0.186	C	C	.	.	S	Bend	trans	-125.8	-147.3	177.8	-91.5	-88.9	0	0	0	109.7	L382 N385 L387 L406 G407 I411 G432 N433	L382-N409 PolarHBondContact O-ND2 3.46Å; N385-N409 WeakPolarHBondContact CA-OD1 3.33Å; N385-N409 WeakPolarHBondContact CB-OD1 3.37Å; N385-N409 PolarHBondContact N-OD1 2.99Å; N385-N409 PolarHBondContact O-OD1 3.27Å; L387-N409 HydrophobicContact CB-CB 4.3Å; L387-N409 WeakPolarHBondContact CB-OD1 3.44Å; L387-N409 VanDerWaalsContact CG-OD1 3.3Å; L387-N409 WeakPolarHBondContact CG-OD1 3.24Å; L387-N409 PolarHBondContact N-OD1 3.3Å; L406-N409 WeakPolarHBondContact O-CB 3.45Å; L406-N409 PolarHBondContact O-ND2 3.15Å; G407-N409 PolarHBondContact O-ND2 3.03Å; G407-N409 VanDerWaalsContact O-ND2 3.13Å; N409-I411 HydrophobicContact CB-CD1 4.23Å; N409-I411 HydrophobicContact CB-CG1 4.07Å; N409-G432 PolarHBondContact N-O 3.46Å; N409-N433 WeakPolarHBondContact CA-OD1 3.43Å; N409-N433 WeakPolarHBondContact CB-OD1 3.45Å; N409-N433 PolarHBondContact N-OD1 2.77Å
410	R	94.3	Very high	91.7	Very high	121 Å²	121	33.6 Å²	33.6	46%	0.457	18%	0.179	S	C	.	.			trans	-132.5	25.9	176.4	-58.4	-172.5	175.3	-174.5	-2.2	111.6	L387 Q388 A412 N433 Y434	L387-R410 CarbonylContact O-C 3.5Å; L387-R410 VanDerWaalsContact O-CA 3.28Å; L387-R410 WeakPolarHBondContact O-CA 3.4Å; L387-R410 PolarHBondContact O-N 3.07Å; Q388-R410 HydrophobicContact CG-CB 4.27Å; R410-A412 PolarHBondContact O-N 3.45Å; R410-A412 VanDerWaalsContact O-N 3.16Å; R410-N433 PolarHBondContact N-OD1 3.26Å; R410-Y434 HydrophobicContact CB-CD2 4.02Å; R410-Y434 HydrophobicContact CB-CE2 3.86Å; R410-Y434 HydrophobicContact CG-CE2 3.96Å
411	I	95.9	Very high	91.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.			trans	-70.6	114.4	-168.4	-58.5	168.1	0	0	0	108.8	L387 Q388 V390 L406 N409 I414 L430 N433 Y434 L435	L387-I411 HydrophobicContact CB-CD1 4.33Å; L387-I411 HydrophobicContact CB-CG1 3.99Å; L387-I411 WeakPolarHBondContact O-CG1 3.36Å; L387-I411 PolarHBondContact O-N 2.85Å; L387-I411 VanDerWaalsContact O-N 3.07Å; Q388-I411 WeakPolarHBondContact O-CA 3.37Å; V390-I411 HydrophobicContact CG2-CD1 3.93Å; V390-I411 HydrophobicContact CG2-CG1 4.47Å; V390-I411 HydrophobicContact CG2-CG2 4.12Å; L406-I411 HydrophobicContact CB-CD1 3.83Å; L406-I411 HydrophobicContact CD1-CD1 4.39Å; L406-I411 HydrophobicContact CD2-CD1 4.32Å; L406-I411 HydrophobicContact CG-CD1 4.41Å; N409-I411 HydrophobicContact CB-CD1 4.23Å; N409-I411 HydrophobicContact CB-CG1 4.07Å; I411-I414 HydrophobicContact CG2-CG1 3.99Å; I411-L430 HydrophobicContact CD1-CD2 4.31Å; I411-N433 HydrophobicContact CB-CB 4.31Å; I411-N433 WeakPolarHBondContact CB-OD1 3.3Å; I411-N433 WeakPolarHBondContact CG1-OD1 3.41Å; I411-N433 PolarHBondContact N-OD1 2.7Å; I411-Y434 CarbonylContact O-C 3.57Å; I411-Y434 VanDerWaalsContact O-C 3.29Å; I411-Y434 WeakPolarHBondContact O-CA 3.36Å; I411-Y434 PolarHBondContact O-N 3.04Å; I411-L435 HydrophobicContact CG2-CD2 4.12Å; I411-L435 PolarHBondContact O-N 2.85Å
412	A	93.7	Very high	91.8	Very high	53 Å²	53	34.5 Å²	34.5	44%	0.438	18%	0.181	S	C	.	.			trans	-104.8	-23.3	174.7	0	0	0	0	0	112.2	Q388 R410	Q388-A412 PolarHBondContact O-N 2.76Å; R410-A412 PolarHBondContact O-N 3.45Å; R410-A412 VanDerWaalsContact O-N 3.16Å
413	V	92.6	Very high	91.9	Very high	82 Å²	82	36.4 Å²	36.4	50%	0.497	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	132.1	-176.6	-177.4	0	0	0	0	110.7	T389 V390	T389-V413 VanDerWaalsContact CA-O 3.29Å; T389-V413 WeakPolarHBondContact CA-O 3.41Å; T389-V413 HydrophobicContact CG2-CB 4.31Å; T389-V413 HydrophobicContact CG2-CG1 4.41Å; V390-V413 PolarHBondContact N-O 3.25Å; V390-V413 VanDerWaalsContact N-O 3.08Å
414	I	94.4	Very high	91.8	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.036	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128	165.2	-60.6	167.5	0	0	0	106.3	V390 I411 A418 F419 L430 L435 M442	V390-I414 HydrophobicContact CB-CB 4.47Å; V390-I414 HydrophobicContact CB-CG1 4.22Å; V390-I414 HydrophobicContact CB-CG2 4.24Å; V390-I414 HydrophobicContact CG2-CG1 4.2Å; I411-I414 HydrophobicContact CG2-CG1 3.99Å; I414-A418 HydrophobicContact CG2-CB 3.94Å; I414-F419 HydrophobicContact CD1-CE2 4.18Å; I414-F419 HydrophobicContact CD1-CZ 4.15Å; I414-F419 HydrophobicContact CG2-CE2 4.02Å; I414-F419 HydrophobicContact CG2-CZ 4Å; I414-L430 HydrophobicContact CD1-CD1 3.9Å; I414-L430 HydrophobicContact CD1-CD2 4.1Å; I414-L435 HydrophobicContact CD1-CD1 4.35Å; I414-L435 HydrophobicContact CD1-CD2 4.11Å; I414-L435 HydrophobicContact CG1-CD2 4.22Å; I414-M442 HydrophobicContact CB-CG 4.24Å; I414-M442 HydrophobicContact CB-SD 3.73Å; I414-M442 HydrophobicContact CG2-CB 4.32Å; I414-M442 HydrophobicContact CG2-CG 4.42Å
415	Q	92.1	Very high	91.9	Very high	85 Å²	85	38.8 Å²	38.8	40%	0.397	21%	0.21	S	C	.	.			trans	-71.7	148.1	-176.9	-170.5	175.4	11.3	0	0	111.6	V390 K392 G417 A418	V390-Q415 WeakPolarHBondContact O-CB 3.38Å; V390-Q415 PolarHBondContact O-N 2.93Å; K392-Q415 HydrophobicContact CB-CG 4.29Å; Q415-G417 PolarHBondContact O-N 2.73Å; Q415-A418 HydrophobicContact CB-CB 4.5Å; Q415-A418 WeakPolarHBondContact O-CB 3.28Å; Q415-A418 PolarHBondContact O-N 3.16Å
416	E	88.9	Confident	91.8	Very high	132 Å²	132	43 Å²	43	62%	0.617	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	119.9	179.1	-57.5	-163.3	122.3	0	0	113.3	K392 S441	K392-E416 WeakPolarHBondContact CD-O 3.17Å; K392-E416 PolarHBondContact NZ-O 3.07Å; E416-S441 PolarHBondContact OE1-OG 3.19Å; E416-S441 VanDerWaalsContact OE1-OG 3.07Å
417	G	87.3	Confident	91.7	Very high	2 Å²	2	45.2 Å²	45.2	2%	0.021	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	27.4	-175.9	0	0	0	0	0	114.1	K392 Q415 F419 T420 S441	K392-G417 WeakPolarHBondContact CE-O 3.45Å; Q415-G417 PolarHBondContact O-N 2.73Å; G417-F419 PolarHBondContact O-N 3.38Å; G417-T420 VanDerWaalsContact CA-CG2 3.45Å; G417-T420 VanDerWaalsContact O-CG2 3.29Å; G417-T420 WeakPolarHBondContact O-CG2 3.37Å; G417-T420 PolarHBondContact O-N 2.93Å; G417-T420 PolarHBondContact O-OG1 3.33Å; G417-S441 WeakPolarHBondContact CA-O 3.34Å; G417-S441 PolarHBondContact N-O 2.93Å
418	A	91.6	Very high	91.9	Very high	3 Å²	3	45.2 Å²	45.2	3%	0.025	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-20	175.6	0	0	0	0	0	113.9	V390 I414 Q415	V390-A418 HydrophobicContact CG1-CB 4.12Å; I414-A418 HydrophobicContact CG2-CB 3.94Å; Q415-A418 HydrophobicContact CB-CB 4.5Å; Q415-A418 WeakPolarHBondContact O-CB 3.28Å; Q415-A418 PolarHBondContact O-N 3.16Å
419	F	93.6	Very high	92.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	6.9	176.7	-54.7	-39	0	0	0	114.3	V390 L395 L404 I414 G417 N421 L422 L428 M442 D444 L446	V390-F419 HydrophobicContact CG1-CE1 4.12Å; L395-F419 HydrophobicContact CD1-CD1 3.58Å; L395-F419 HydrophobicContact CD1-CE1 3.51Å; L404-F419 HydrophobicContact CD2-CE1 4.11Å; I414-F419 HydrophobicContact CD1-CE2 4.18Å; I414-F419 HydrophobicContact CD1-CZ 4.15Å; I414-F419 HydrophobicContact CG2-CE2 4.02Å; I414-F419 HydrophobicContact CG2-CZ 4Å; G417-F419 PolarHBondContact O-N 3.38Å; F419-N421 PolarHBondContact O-N 2.97Å; F419-L422 HydrophobicContact CB-CD1 4.16Å; F419-L422 HydrophobicContact CB-CG 4.47Å; F419-L422 HydrophobicContact CD1-CD1 3.68Å; F419-L422 HydrophobicContact CG-CD1 4.26Å; F419-L422 WeakPolarHBondContact O-CB 3.39Å; F419-L422 PolarHBondContact O-N 2.6Å; F419-L428 HydrophobicContact CD2-CD2 4.23Å; F419-L428 HydrophobicContact CE2-CD2 3.83Å; F419-L428 HydrophobicContact CZ-CD1 4.45Å; F419-L428 HydrophobicContact CZ-CD2 4.29Å; F419-M442 WeakPolarHBondContact CD2-O 3.22Å; F419-D444 CarbonylContact C-O 3.09Å; F419-L446 HydrophobicContact CB-CD1 3.97Å; F419-L446 HydrophobicContact CB-CD2 3.88Å; F419-L446 HydrophobicContact CB-CG 3.77Å; F419-L446 HydrophobicContact CD2-CD1 3.7Å; F419-L446 HydrophobicContact CD2-CG 4.45Å; F419-L446 HydrophobicContact CG-CD1 4.12Å; F419-L446 HydrophobicContact CG-CD2 4.5Å; F419-L446 HydrophobicContact CG-CG 4.44Å
420	T	90.1	Very high	92.2	Very high	47 Å²	47	41.4 Å²	41.4	29%	0.288	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-31.1	-171.6	52.7	0	0	0	0	114.8	G417 D444	G417-T420 VanDerWaalsContact CA-CG2 3.45Å; G417-T420 VanDerWaalsContact O-CG2 3.29Å; G417-T420 WeakPolarHBondContact O-CG2 3.37Å; G417-T420 PolarHBondContact O-N 2.93Å; G417-T420 PolarHBondContact O-OG1 3.33Å; T420-D444 VanDerWaalsContact CA-O 3.27Å; T420-D444 WeakPolarHBondContact CA-O 3.47Å; T420-D444 HydrophobicContact CG2-CB 4.03Å; T420-D444 PolarHBondContact N-O 3.18Å
421	N	88.2	Confident	92.2	Very high	60 Å²	60	36.2 Å²	36.2	32%	0.321	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-6.6	-175.5	-64.2	17	0	0	0	112.6	L396 S399 F419 T423	L396-N421 PolarHBondContact O-ND2 3.08Å; S399-N421 VanDerWaalsContact CA-O 3.23Å; S399-N421 WeakPolarHBondContact CA-O 3.44Å; S399-N421 WeakPolarHBondContact CB-O 3.4Å; F419-N421 PolarHBondContact O-N 2.97Å; N421-T423 PolarHBondContact O-N 2.97Å
422	L	91.7	Very high	91.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.203	C	C	.	.			trans	-85.9	44.6	-173.2	-56	-171.1	0	0	0	112.4	L395 Y398 L401 L404 F419 S424 L425 L446	L395-L422 HydrophobicContact CB-CD2 4.46Å; L395-L422 HydrophobicContact CD1-CD1 4.25Å; Y398-L422 VanDerWaalsContact O-CD2 3.31Å; Y398-L422 WeakPolarHBondContact O-CD2 3.25Å; L401-L422 HydrophobicContact CD1-CD2 4.09Å; L404-L422 HydrophobicContact CD2-CD1 4Å; F419-L422 HydrophobicContact CB-CD1 4.16Å; F419-L422 HydrophobicContact CB-CG 4.47Å; F419-L422 HydrophobicContact CD1-CD1 3.68Å; F419-L422 HydrophobicContact CG-CD1 4.26Å; F419-L422 WeakPolarHBondContact O-CB 3.39Å; F419-L422 PolarHBondContact O-N 2.6Å; L422-S424 PolarHBondContact O-N 2.93Å; L422-S424 VanDerWaalsContact O-N 3.08Å; L422-L425 HydrophobicContact CB-CB 4.12Å; L422-L425 HydrophobicContact CD1-CD2 4.26Å; L422-L425 VanDerWaalsContact O-CB 3.26Å; L422-L425 WeakPolarHBondContact O-CB 3.46Å; L422-L425 PolarHBondContact O-N 2.94Å; L422-L446 HydrophobicContact CB-CD2 3.85Å
423	T	89.5	Confident	92	Very high	65 Å²	65	34.7 Å²	34.7	40%	0.399	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.6	-172.4	55.9	0	0	0	0	114.3	N421 S448	N421-T423 PolarHBondContact O-N 2.97Å; T423-S448 WeakPolarHBondContact O-CB 3.26Å; T423-S448 PolarHBondContact O-OG 3.17Å
424	S	90.6	Very high	92.1	Very high	52 Å²	52	37 Å²	37	36%	0.364	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-8.1	177.1	-51.7	0	0	0	0	114.2	S399 L401 L422 R426	S399-S424 WeakPolarHBondContact O-CB 3.49Å; S399-S424 PolarHBondContact O-OG 3.37Å; L401-S424 CarbonylContact O-C 3.29Å; L401-S424 WeakPolarHBondContact O-CB 3.48Å; L422-S424 PolarHBondContact O-N 2.93Å; L422-S424 VanDerWaalsContact O-N 3.08Å; S424-R426 PolarHBondContact O-N 3.29Å
425	L	94.4	Very high	92.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.			trans	-70.2	126.3	-167.9	-167.1	77	0	0	0	111.5	L401 L404 L422 L428 L446 S448 L449	L401-L425 HydrophobicContact CB-CD1 3.75Å; L401-L425 WeakPolarHBondContact O-CA 3.32Å; L401-L425 PolarHBondContact O-N 3.46Å; L404-L425 HydrophobicContact CB-CD1 3.8Å; L404-L425 HydrophobicContact CB-CD2 4.23Å; L422-L425 HydrophobicContact CB-CB 4.12Å; L422-L425 HydrophobicContact CD1-CD2 4.26Å; L422-L425 VanDerWaalsContact O-CB 3.26Å; L422-L425 WeakPolarHBondContact O-CB 3.46Å; L422-L425 PolarHBondContact O-N 2.94Å; L425-L428 HydrophobicContact CD2-CB 4.07Å; L425-L428 HydrophobicContact CD2-CD1 4.42Å; L425-L446 HydrophobicContact CB-CD2 3.92Å; L425-L446 HydrophobicContact CD2-CD2 3.56Å; L425-L446 HydrophobicContact CG-CD2 4.34Å; L425-S448 CarbonylContact O-C 3.5Å; L425-L449 HydrophobicContact CD2-CD1 4.07Å; L425-L449 HydrophobicContact CG-CD1 4.2Å; L425-L449 WeakPolarHBondContact O-CA 3.34Å; L425-L449 PolarHBondContact O-N 3.1Å
426	R	90.9	Very high	92.3	Very high	103 Å²	103	37.2 Å²	37.2	39%	0.389	19%	0.185	S	C	.	.			trans	-102.6	-32.7	176.7	-60.9	-178	-171.2	-84	-11.8	113.3	D402 S424 Q450 Y451	D402-R426 PolarHBondContact O-N 3.08Å; D402-R426 WeakPolarHBondContact OD1-CD 3.39Å; D402-R426 IonicContact OD1-NE 2.69Å; D402-R426 PolarHBondContact OD1-NE 2.94Å; D402-R426 VanDerWaalsContact OD1-NE 3.08Å; S424-R426 PolarHBondContact O-N 3.29Å; R426-Q450 PolarHBondContact O-N 3.21Å; R426-Y451 PolarHBondContact O-N 3.48Å
427	R	91.9	Very high	92.6	Very high	45 Å²	45	32.5 Å²	32.5	17%	0.17	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	117.8	-169.6	-70.4	170.7	171.8	162.4	-6.5	110.6	E240 D402 L403 L404 Y429 Y451	E240-R427 IonicContact OE1-CZ 2.76Å; E240-R427 IonicContact OE1-NH1 2.65Å; E240-R427 PolarHBondContact OE1-NH1 3.3Å; D402-R427 PolarHBondContact O-N 2.78Å; D402-R427 VanDerWaalsContact O-N 3.1Å; L403-R427 WeakPolarHBondContact CA-O 3.29Å; L403-R427 HydrophobicContact CB-CB 4.07Å; L403-R427 HydrophobicContact CD1-CB 4.11Å; L403-R427 HydrophobicContact CG-CB 4Å; L404-R427 PolarHBondContact N-O 3.04Å; R427-Y429 HydrophobicContact CB-CE2 4.04Å; R427-Y451 HydrophobicContact CG-CD2 3.56Å; R427-Y451 HydrophobicContact CG-CE2 4.41Å; R427-Y451 HydrophobicContact CG-CG 4.06Å
428	L	95.9	Very high	93	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	117.5	176.8	179.1	56	0	0	0	109.9	L404 F419 L425 L430 F443 L446 L449 Y451 L452 Y453	L404-L428 HydrophobicContact CB-CD1 4.21Å; L404-L428 HydrophobicContact CD2-CD1 4.08Å; L404-L428 HydrophobicContact CG-CD1 4.11Å; F419-L428 HydrophobicContact CD2-CD2 4.23Å; F419-L428 HydrophobicContact CE2-CD2 3.83Å; F419-L428 HydrophobicContact CZ-CD1 4.45Å; F419-L428 HydrophobicContact CZ-CD2 4.29Å; L425-L428 HydrophobicContact CD2-CB 4.07Å; L425-L428 HydrophobicContact CD2-CD1 4.42Å; L428-L430 HydrophobicContact CD1-CD1 4.32Å; L428-L430 HydrophobicContact CD1-CG 4.18Å; L428-L430 HydrophobicContact CD2-CD1 3.97Å; L428-L430 HydrophobicContact CG-CD1 4.02Å; L428-L430 HydrophobicContact CG-CG 4.21Å; L428-F443 HydrophobicContact CD2-CD1 4.5Å; L428-F443 HydrophobicContact CD2-CE1 4.37Å; L428-L446 HydrophobicContact CD2-CD1 3.82Å; L428-L449 HydrophobicContact CB-CD1 3.72Å; L428-L449 HydrophobicContact CB-CD2 4.45Å; L428-Y451 PolarHBondContact N-O 2.91Å; L428-L452 HydrophobicContact CB-CD1 4.13Å; L428-L452 HydrophobicContact CD2-CD1 3.99Å; L428-L452 HydrophobicContact CG-CD1 4.02Å; L428-Y453 PolarHBondContact O-N 2.85Å
429	Y	93.8	Very high	93	Very high	12 Å²	12	37.5 Å²	37.5	5%	0.047	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	114.9	176.8	-59.5	-102.6	0	0	0	110.3	L403 L404 H405 L406 G407 R427 Y453	L403-Y429 HydrophobicContact CD1-CE2 3.82Å; L403-Y429 HydrophobicContact CG-CE2 4.17Å; L404-Y429 PolarHBondContact O-N 3.09Å; H405-Y429 HydrophobicContact CB-CD2 4.25Å; H405-Y429 AromaticContact CD2-CD2 3.93Å; H405-Y429 AromaticContact CD2-CG 3.97Å; H405-Y429 AromaticContact CE1-CG 3.83Å; H405-Y429 AromaticContact CG-CD2 3.92Å; H405-Y429 AromaticContact CG-CG 3.9Å; H405-Y429 VanDerWaalsContact ND1-CB 3.29Å; H405-Y429 WeakPolarHBondContact ND1-CB 3.33Å; H405-Y429 AromaticContact ND1-CG 3.82Å; H405-Y429 AromaticContact NE2-CG 3.96Å; L406-Y429 CarbonylContact C-O 3.39Å; L406-Y429 WeakPolarHBondContact CA-O 3.42Å; L406-Y429 PolarHBondContact N-O 3.45Å; G407-Y429 PolarHBondContact N-O 2.9Å; R427-Y429 HydrophobicContact CB-CE2 4.04Å; Y429-Y453 HydrophobicContact CD1-CD1 4.47Å; Y429-Y453 AromaticContact CD1-CD2 3.35Å; Y429-Y453 HydrophobicContact CD1-CD2 3.35Å; Y429-Y453 AromaticContact CD1-CE2 3.9Å; Y429-Y453 HydrophobicContact CD1-CE2 3.9Å; Y429-Y453 AromaticContact CD1-CG 3.68Å; Y429-Y453 HydrophobicContact CD1-CG 3.68Å; Y429-Y453 HydrophobicContact CD2-CD2 4.46Å; Y429-Y453 HydrophobicContact CE1-CD1 4.41Å; Y429-Y453 AromaticContact CE1-CD2 3.33Å; Y429-Y453 HydrophobicContact CE1-CD2 3.33Å; Y429-Y453 HydrophobicContact CE1-CE1 4.42Å; Y429-Y453 AromaticContact CE1-CE2 3.33Å; Y429-Y453 HydrophobicContact CE1-CE2 3.33Å; Y429-Y453 AromaticContact CE1-CG 3.9Å; Y429-Y453 HydrophobicContact CE1-CG 3.9Å; Y429-Y453 AromaticContact CE1-CZ 3.92Å; Y429-Y453 HydrophobicContact CE2-CD2 4.45Å; Y429-Y453 HydrophobicContact CE2-CE2 4.41Å; Y429-Y453 AromaticContact CG-CD2 3.94Å; Y429-Y453 HydrophobicContact CG-CD2 3.94Å; Y429-Y453 HydrophobicContact CG-CG 4.48Å; Y429-Y453 AromaticContact CZ-CD2 3.92Å; Y429-Y453 AromaticContact CZ-CE2 3.64Å
430	L	95.8	Very high	92.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.			trans	-122.1	10.8	176.1	-73.4	164.9	0	0	0	111.5	L406 I411 I414 L428 N433 L435 F443 Y453 L454 N457	L406-L430 HydrophobicContact CB-CD2 3.88Å; L406-L430 HydrophobicContact CD1-CD2 4.04Å; I411-L430 HydrophobicContact CD1-CD2 4.31Å; I414-L430 HydrophobicContact CD1-CD1 3.9Å; I414-L430 HydrophobicContact CD1-CD2 4.1Å; L428-L430 HydrophobicContact CD1-CD1 4.32Å; L428-L430 HydrophobicContact CD1-CG 4.18Å; L428-L430 HydrophobicContact CD2-CD1 3.97Å; L428-L430 HydrophobicContact CG-CD1 4.02Å; L428-L430 HydrophobicContact CG-CG 4.21Å; L430-N433 WeakPolarHBondContact O-CB 3.43Å; L430-N433 PolarHBondContact O-ND2 3.43Å; L430-L435 HydrophobicContact CB-CD1 4.34Å; L430-L435 HydrophobicContact CD1-CD1 4.41Å; L430-F443 HydrophobicContact CD1-CE1 4.42Å; L430-Y453 CarbonylContact C-O 3.52Å; L430-Y453 WeakPolarHBondContact CA-O 3.36Å; L430-Y453 PolarHBondContact N-O 3.15Å; L430-L454 HydrophobicContact CB-CD2 3.71Å; L430-L454 HydrophobicContact CD1-CD2 3.98Å; L430-N457 PolarHBondContact O-ND2 3.37Å
431	N	92.7	Very high	92.9	Very high	12 Å²	12	38.6 Å²	38.6	6%	0.064	19%	0.192	C	C	.	.			trans	-54.6	145	176.8	59.2	-34.4	0	0	0	113	E215 G407 N408 N433 Y453 E455	E215-N431 PolarHBondContact OE1-ND2 3.26Å; G407-N431 CarbonylContact C-O 3.06Å; G407-N431 WeakPolarHBondContact CA-O 3.48Å; G407-N431 VanDerWaalsContact CA-OD1 3.32Å; G407-N431 WeakPolarHBondContact CA-OD1 3.39Å; N408-N431 PolarHBondContact N-O 3.16Å; N431-N433 PolarHBondContact O-ND2 2.95Å; N431-Y453 PolarHBondContact N-O 2.95Å; N431-E455 CarbonylContact C-O 3.08Å; N431-E455 WeakPolarHBondContact CA-O 3.45Å; N431-E455 HydrophobicContact CB-CG 3.85Å
432	G	90.1	Very high	93.1	Very high	19 Å²	19	36.2 Å²	36.2	20%	0.196	18%	0.179	C	C	.	.	S	Bend	trans	63.8	53.3	178.4	0	0	0	0	0	113.6	N408 N409 E455 Y456	N408-G432 VanDerWaalsContact CA-O 3.24Å; N408-G432 WeakPolarHBondContact CA-O 3.28Å; N408-G432 PolarHBondContact N-O 3.15Å; N409-G432 PolarHBondContact N-O 3.46Å; G432-E455 PolarHBondContact N-O 2.85Å; G432-Y456 VanDerWaalsContact CA-O 3.25Å; G432-Y456 WeakPolarHBondContact CA-O 3.39Å; G432-Y456 PolarHBondContact N-O 3.48Å
433	N	95.3	Very high	93.1	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	18%	0.179	C	C	.	.	S	Bend	trans	-134.6	-170.2	177.6	-84	-71.2	0	0	0	110.5	L406 N409 R410 I411 L430 N431 Y456 N457	L406-N433 PolarHBondContact O-ND2 3.45Å; L406-N433 VanDerWaalsContact O-ND2 3.12Å; N409-N433 WeakPolarHBondContact CA-OD1 3.43Å; N409-N433 WeakPolarHBondContact CB-OD1 3.45Å; N409-N433 PolarHBondContact N-OD1 2.77Å; R410-N433 PolarHBondContact N-OD1 3.26Å; I411-N433 HydrophobicContact CB-CB 4.31Å; I411-N433 WeakPolarHBondContact CB-OD1 3.3Å; I411-N433 WeakPolarHBondContact CG1-OD1 3.41Å; I411-N433 PolarHBondContact N-OD1 2.7Å; L430-N433 WeakPolarHBondContact O-CB 3.43Å; L430-N433 PolarHBondContact O-ND2 3.43Å; N431-N433 PolarHBondContact O-ND2 2.95Å; N433-Y456 PolarHBondContact N-O 3.41Å; N433-N457 WeakPolarHBondContact CA-OD1 3.28Å; N433-N457 WeakPolarHBondContact CB-OD1 3.47Å; N433-N457 WeakPolarHBondContact O-CA 3.39Å; N433-N457 PolarHBondContact O-OD1 2.83Å
434	Y	95.4	Very high	93.2	Very high	130 Å²	130	36.3 Å²	36.3	51%	0.51	18%	0.177	S	C	.	.			trans	-117.7	32.1	-175.1	-56.9	-48	0	0	0	113.1	R410 I411 E436	R410-Y434 HydrophobicContact CB-CD2 4.02Å; R410-Y434 HydrophobicContact CB-CE2 3.86Å; R410-Y434 HydrophobicContact CG-CE2 3.96Å; I411-Y434 CarbonylContact O-C 3.57Å; I411-Y434 VanDerWaalsContact O-C 3.29Å; I411-Y434 WeakPolarHBondContact O-CA 3.36Å; I411-Y434 PolarHBondContact O-N 3.04Å; Y434-E436 PolarHBondContact O-N 3.07Å
435	L	96.2	Very high	93	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	17%	0.169	C	C	.	.			trans	-67.9	124.2	177.5	-61.1	173.8	0	0	0	110.4	I411 I414 L430 L454 N457 V458 I459	I411-L435 HydrophobicContact CG2-CD2 4.12Å; I411-L435 PolarHBondContact O-N 2.85Å; I414-L435 HydrophobicContact CD1-CD1 4.35Å; I414-L435 HydrophobicContact CD1-CD2 4.11Å; I414-L435 HydrophobicContact CG1-CD2 4.22Å; L430-L435 HydrophobicContact CB-CD1 4.34Å; L430-L435 HydrophobicContact CD1-CD1 4.41Å; L435-L454 HydrophobicContact CD1-CD2 3.77Å; L435-N457 HydrophobicContact CB-CB 4.47Å; L435-N457 WeakPolarHBondContact CB-OD1 3.43Å; L435-N457 WeakPolarHBondContact CG-OD1 3.24Å; L435-N457 PolarHBondContact N-OD1 2.78Å; L435-V458 CarbonylContact O-C 3.48Å; L435-V458 WeakPolarHBondContact O-CG2 3.37Å; L435-V458 PolarHBondContact O-N 2.84Å; L435-I459 HydrophobicContact CB-CG1 4.14Å; L435-I459 WeakPolarHBondContact O-CA 3.36Å; L435-I459 VanDerWaalsContact O-CG1 3.24Å; L435-I459 WeakPolarHBondContact O-CG1 3.19Å; L435-I459 PolarHBondContact O-N 3.09Å; L435-I459 VanDerWaalsContact O-N 3.09Å
436	E	94.4	Very high	92.9	Very high	94 Å²	94	34.7 Å²	34.7	44%	0.439	17%	0.169	S	C	.	.			trans	-99	-32.5	-180	-66	-151.1	157.7	0	0	114.8	Y434 V458 I459 K460	Y434-E436 PolarHBondContact O-N 3.07Å; E436-V458 HydrophobicContact CG-CG2 3.93Å; E436-I459 CarbonylContact O-C 3.56Å; E436-I459 WeakPolarHBondContact O-CA 3.03Å; E436-K460 PolarHBondContact O-N 3.09Å; E436-K460 IonicContact OE1-NZ 3.87Å; E436-K460 PolarHBondContact OE1-NZ 3.03Å; E436-K460 IonicContact OE2-NZ 2.78Å; E436-K460 PolarHBondContact OE2-NZ 2.74Å
437	V	94.9	Very high	92.9	Very high	33 Å²	33	35.1 Å²	35.1	20%	0.2	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	136	-175.2	-179.9	0	0	0	0	109.2	Y439 M442 E461 K463	V437-Y439 HydrophobicContact CB-CE2 3.81Å; V437-Y439 HydrophobicContact CG1-CD2 4.16Å; V437-Y439 HydrophobicContact CG1-CE1 4.13Å; V437-Y439 HydrophobicContact CG1-CE2 3.59Å; V437-M442 WeakPolarHBondContact O-CE 3.36Å; V437-E461 WeakPolarHBondContact CA-O 3.41Å; V437-E461 HydrophobicContact CG1-CB 4.39Å; V437-E461 HydrophobicContact CG2-CB 4.49Å; V437-K463 HydrophobicContact CG1-CG 4.37Å
438	L	95.3	Very high	92.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	140.6	172.9	-53.3	-175.1	0	0	0	112.2	M442 F443 L454 I459 E461 I462 K463 T466 F467 L478	L438-M442 HydrophobicContact CB-CE 4.34Å; L438-M442 HydrophobicContact CD2-CE 3.88Å; L438-F443 HydrophobicContact CB-CE2 4.41Å; L438-F443 HydrophobicContact CD1-CE2 4.26Å; L438-F443 HydrophobicContact CD1-CZ 4.47Å; L438-F443 HydrophobicContact CD2-CE2 4.41Å; L438-F443 HydrophobicContact CD2-CZ 4.35Å; L438-L454 HydrophobicContact CD1-CD1 3.9Å; L438-I459 HydrophobicContact CD1-CD1 4.18Å; L438-I459 HydrophobicContact CD1-CG2 4.48Å; L438-I459 HydrophobicContact CD2-CD1 4.11Å; L438-I459 HydrophobicContact CD2-CG1 4.47Å; L438-I459 HydrophobicContact CG-CD1 4.23Å; L438-I459 HydrophobicContact CG-CG2 3.94Å; L438-E461 PolarHBondContact N-O 3.08Å; L438-I462 HydrophobicContact CB-CG1 4.25Å; L438-I462 HydrophobicContact CB-CG2 4.29Å; L438-I462 HydrophobicContact CD1-CD1 4.08Å; L438-I462 HydrophobicContact CD1-CG1 3.99Å; L438-I462 HydrophobicContact CG-CG1 4.24Å; L438-K463 WeakPolarHBondContact O-CB 3.29Å; L438-K463 VanDerWaalsContact O-CG 3.31Å; L438-K463 WeakPolarHBondContact O-CG 3.5Å; L438-K463 PolarHBondContact O-N 3.02Å; L438-T466 HydrophobicContact CB-CG2 3.75Å; L438-F467 HydrophobicContact CD1-CE1 4.18Å; L438-F467 HydrophobicContact CD1-CZ 3.98Å; L438-L478 HydrophobicContact CD1-CD2 4.46Å
439	Y	93.1	Very high	92.9	Very high	109 Å²	109	34.8 Å²	34.8	43%	0.427	18%	0.18	S	C	.	.			trans	-133.1	146.8	-176.4	-60.6	-90.9	0	0	0	109.5	V437 S441 M442 K463	V437-Y439 HydrophobicContact CB-CE2 3.81Å; V437-Y439 HydrophobicContact CG1-CD2 4.16Å; V437-Y439 HydrophobicContact CG1-CE1 4.13Å; V437-Y439 HydrophobicContact CG1-CE2 3.59Å; Y439-S441 VanDerWaalsContact C-N 3.31Å; Y439-S441 PolarHBondContact O-N 3.12Å; Y439-M442 HydrophobicContact CD2-CE 4.12Å; Y439-M442 HydrophobicContact CD2-SD 4.39Å; Y439-M442 PolarHBondContact O-N 3.42Å; Y439-K463 HydrophobicContact CD1-CG 3.74Å; Y439-K463 HydrophobicContact CE1-CG 4.04Å; Y439-K463 HydrophobicContact CG-CG 4.43Å
440	P	91.1	Very high	92.8	Very high	44 Å²	44	36 Å²	36	29%	0.286	19%	0.185	S	C	.	.	H	α-helix	trans	-57	-42.8	178.3	-21.9	30.7	0	0	0	113.1	M442 F443 D444 P464 L465	P440-M442 PolarHBondContact O-N 2.03Å; P440-F443 PolarHBondContact O-N 2.98Å; P440-D444 PolarHBondContact O-N 2.96Å; P440-P464 VanDerWaalsContact CG-O 3.28Å; P440-P464 WeakPolarHBondContact CG-O 3.42Å; P440-L465 HydrophobicContact CG-CB 4.35Å
441	S	89.7	Confident	92.7	Very high	26 Å²	26	37.5 Å²	37.5	18%	0.182	19%	0.191	C	C	.	.	H	α-helix	trans	-61.5	-12.6	-178.2	57.3	0	0	0	0	114.2	E416 G417 Y439	E416-S441 PolarHBondContact OE1-OG 3.19Å; E416-S441 VanDerWaalsContact OE1-OG 3.07Å; G417-S441 WeakPolarHBondContact CA-O 3.34Å; G417-S441 PolarHBondContact N-O 2.93Å; Y439-S441 VanDerWaalsContact C-N 3.31Å; Y439-S441 PolarHBondContact O-N 3.12Å
442	M	91.9	Very high	92.8	Very high	10 Å²	10	37 Å²	37	5%	0.049	19%	0.188	C	C	.	.	H	α-helix	trans	-79.5	-30.3	172.4	-64	-165.6	-56.7	0	0	112.9	I414 F419 V437 L438 Y439 P440	I414-M442 HydrophobicContact CB-CG 4.24Å; I414-M442 HydrophobicContact CB-SD 3.73Å; I414-M442 HydrophobicContact CG2-CB 4.32Å; I414-M442 HydrophobicContact CG2-CG 4.42Å; F419-M442 WeakPolarHBondContact CD2-O 3.22Å; V437-M442 WeakPolarHBondContact O-CE 3.36Å; L438-M442 HydrophobicContact CB-CE 4.34Å; L438-M442 HydrophobicContact CD2-CE 3.88Å; Y439-M442 HydrophobicContact CD2-CE 4.12Å; Y439-M442 HydrophobicContact CD2-SD 4.39Å; Y439-M442 PolarHBondContact O-N 3.42Å; P440-M442 PolarHBondContact O-N 2.03Å
443	F	92.7	Very high	93.1	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-103.8	1.5	-174.9	-60.4	-65.2	0	0	0	114.3	L428 L430 L438 P440 G445 L446 L452 L454 T466 F467 L470	L428-F443 HydrophobicContact CD2-CD1 4.5Å; L428-F443 HydrophobicContact CD2-CE1 4.37Å; L430-F443 HydrophobicContact CD1-CE1 4.42Å; L438-F443 HydrophobicContact CB-CE2 4.41Å; L438-F443 HydrophobicContact CD1-CE2 4.26Å; L438-F443 HydrophobicContact CD1-CZ 4.47Å; L438-F443 HydrophobicContact CD2-CE2 4.41Å; L438-F443 HydrophobicContact CD2-CZ 4.35Å; P440-F443 PolarHBondContact O-N 2.98Å; F443-G445 PolarHBondContact O-N 2.82Å; F443-L446 HydrophobicContact CB-CD1 4.36Å; F443-L446 HydrophobicContact CD1-CD1 4.01Å; F443-L446 WeakPolarHBondContact O-CB 3.31Å; F443-L446 PolarHBondContact O-N 2.76Å; F443-L452 HydrophobicContact CE1-CD1 4.23Å; F443-L452 HydrophobicContact CE1-CD2 4.09Å; F443-L452 HydrophobicContact CZ-CD2 4.27Å; F443-L454 HydrophobicContact CZ-CD1 4.27Å; F443-T466 HydrophobicContact CD2-CG2 3.71Å; F443-T466 HydrophobicContact CE2-CG2 3.72Å; F443-F467 HydrophobicContact CD2-CD1 4.41Å; F443-F467 HydrophobicContact CD2-CE1 4.42Å; F443-F467 HydrophobicContact CE2-CD1 4.44Å; F443-F467 HydrophobicContact CE2-CE1 4Å; F443-L470 HydrophobicContact CB-CD1 4.46Å; F443-L470 HydrophobicContact CB-CD2 4.22Å
444	D	90.5	Very high	93.1	Very high	67 Å²	67	36.3 Å²	36.3	36%	0.358	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.9	134	173.5	-79.3	-22.3	0	0	0	112.7	F419 T420 P440	F419-D444 CarbonylContact C-O 3.09Å; T420-D444 VanDerWaalsContact CA-O 3.27Å; T420-D444 WeakPolarHBondContact CA-O 3.47Å; T420-D444 HydrophobicContact CG2-CB 4.03Å; T420-D444 PolarHBondContact N-O 3.18Å; P440-D444 PolarHBondContact O-N 2.96Å
445	G	86.8	Confident	92.8	Very high	18 Å²	18	30.7 Å²	30.7	19%	0.186	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	-14	177.6	0	0	0	0	0	115.9	F443 Q447	F443-G445 PolarHBondContact O-N 2.82Å; G445-Q447 PolarHBondContact O-N 2.85Å
446	L	93.1	Very high	92.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.			trans	-78.1	43.3	-176.2	-67.9	-179.5	0	0	0	114.7	F419 L422 L425 L428 F443 S448 L449 L470	F419-L446 HydrophobicContact CB-CD1 3.97Å; F419-L446 HydrophobicContact CB-CD2 3.88Å; F419-L446 HydrophobicContact CB-CG 3.77Å; F419-L446 HydrophobicContact CD2-CD1 3.7Å; F419-L446 HydrophobicContact CD2-CG 4.45Å; F419-L446 HydrophobicContact CG-CD1 4.12Å; F419-L446 HydrophobicContact CG-CD2 4.5Å; F419-L446 HydrophobicContact CG-CG 4.44Å; L422-L446 HydrophobicContact CB-CD2 3.85Å; L425-L446 HydrophobicContact CB-CD2 3.92Å; L425-L446 HydrophobicContact CD2-CD2 3.56Å; L425-L446 HydrophobicContact CG-CD2 4.34Å; L428-L446 HydrophobicContact CD2-CD1 3.82Å; F443-L446 HydrophobicContact CB-CD1 4.36Å; F443-L446 HydrophobicContact CD1-CD1 4.01Å; F443-L446 WeakPolarHBondContact O-CB 3.31Å; F443-L446 PolarHBondContact O-N 2.76Å; L446-S448 VanDerWaalsContact C-N 3.26Å; L446-S448 PolarHBondContact O-N 3.17Å; L446-L449 HydrophobicContact CB-CB 4.18Å; L446-L449 HydrophobicContact CD1-CD2 4.27Å; L446-L449 VanDerWaalsContact O-CB 3.24Å; L446-L449 WeakPolarHBondContact O-CB 3.05Å; L446-L449 PolarHBondContact O-N 2.9Å; L446-L470 HydrophobicContact CB-CD2 3.48Å; L446-L470 VanDerWaalsContact CB-CD2 3.48Å; L446-L470 HydrophobicContact CD1-CD2 4.44Å
447	Q	90.1	Very high	92.6	Very high	112 Å²	112	30.7 Å²	30.7	52%	0.523	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.5	-173.6	-64.6	177.8	-7.6	0	0	114.1	G445 N472	G445-Q447 PolarHBondContact O-N 2.85Å; Q447-N472 PolarHBondContact O-ND2 2.9Å
448	S	92.8	Very high	92.7	Very high	38 Å²	38	31.4 Å²	31.4	27%	0.266	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	0.5	178.1	-63.8	0	0	0	0	114.3	T423 L425 L446 Q450	T423-S448 WeakPolarHBondContact O-CB 3.26Å; T423-S448 PolarHBondContact O-OG 3.17Å; L425-S448 CarbonylContact O-C 3.5Å; L446-S448 VanDerWaalsContact C-N 3.26Å; L446-S448 PolarHBondContact O-N 3.17Å; S448-Q450 PolarHBondContact O-N 2.8Å
449	L	95.4	Very high	92.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.			trans	-67.5	131.1	-171.6	-162.9	76.2	0	0	0	110.7	L425 L428 L446 L452 L470 N472 L473	L425-L449 HydrophobicContact CD2-CD1 4.07Å; L425-L449 HydrophobicContact CG-CD1 4.2Å; L425-L449 WeakPolarHBondContact O-CA 3.34Å; L425-L449 PolarHBondContact O-N 3.1Å; L428-L449 HydrophobicContact CB-CD1 3.72Å; L428-L449 HydrophobicContact CB-CD2 4.45Å; L446-L449 HydrophobicContact CB-CB 4.18Å; L446-L449 HydrophobicContact CD1-CD2 4.27Å; L446-L449 VanDerWaalsContact O-CB 3.24Å; L446-L449 WeakPolarHBondContact O-CB 3.05Å; L446-L449 PolarHBondContact O-N 2.9Å; L449-L452 HydrophobicContact CD2-CB 4.06Å; L449-L452 HydrophobicContact CD2-CD1 4.44Å; L449-L452 HydrophobicContact CD2-CD2 4.33Å; L449-L470 HydrophobicContact CB-CD2 4.2Å; L449-L470 HydrophobicContact CD2-CD1 4.2Å; L449-L470 HydrophobicContact CD2-CD2 3.98Å; L449-N472 CarbonylContact O-C 3.03Å; L449-L473 HydrophobicContact CD2-CD1 4.22Å; L449-L473 HydrophobicContact CG-CD1 4.41Å; L449-L473 VanDerWaalsContact O-CA 3.25Å; L449-L473 WeakPolarHBondContact O-CA 3.03Å; L449-L473 PolarHBondContact O-N 2.99Å
450	Q	91.6	Very high	92.8	Very high	37 Å²	37	30.7 Å²	30.7	17%	0.173	16%	0.159	C	C	.	.			trans	-116.8	-27.5	-179.2	-69.8	176.7	-31.1	0	0	111.8	R426 S448 N472 Q474 L475	R426-Q450 PolarHBondContact O-N 3.21Å; S448-Q450 PolarHBondContact O-N 2.8Å; Q450-N472 HydrophobicContact CG-CB 4.39Å; Q450-Q474 WeakPolarHBondContact O-CB 3.48Å; Q450-Q474 PolarHBondContact O-N 2.87Å; Q450-L475 PolarHBondContact O-N 2.99Å
451	Y	92.9	Very high	93	Very high	32 Å²	32	32.6 Å²	32.6	13%	0.125	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	121.6	-174.1	-53.1	-93.4	0	0	0	110.5	V238 R426 R427 L428 L475	V238-Y451 HydrophobicContact CG1-CE1 3.85Å; R426-Y451 PolarHBondContact O-N 3.48Å; R427-Y451 HydrophobicContact CG-CD2 3.56Å; R427-Y451 HydrophobicContact CG-CE2 4.41Å; R427-Y451 HydrophobicContact CG-CG 4.06Å; L428-Y451 PolarHBondContact N-O 2.91Å; Y451-L475 HydrophobicContact CD1-CB 3.93Å; Y451-L475 HydrophobicContact CD1-CD1 3.67Å; Y451-L475 HydrophobicContact CD1-CG 3.78Å; Y451-L475 HydrophobicContact CE1-CD1 3.71Å; Y451-L475 HydrophobicContact CE1-CG 3.89Å
452	L	96.1	Very high	93.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	116.4	177.3	-178.4	52.5	0	0	0	110.7	L428 F443 L449 L454 F467 L470 L473 L475 L476 F477	L428-L452 HydrophobicContact CB-CD1 4.13Å; L428-L452 HydrophobicContact CD2-CD1 3.99Å; L428-L452 HydrophobicContact CG-CD1 4.02Å; F443-L452 HydrophobicContact CE1-CD1 4.23Å; F443-L452 HydrophobicContact CE1-CD2 4.09Å; F443-L452 HydrophobicContact CZ-CD2 4.27Å; L449-L452 HydrophobicContact CD2-CB 4.06Å; L449-L452 HydrophobicContact CD2-CD1 4.44Å; L449-L452 HydrophobicContact CD2-CD2 4.33Å; L452-L454 HydrophobicContact CD1-CD1 4.08Å; L452-L454 HydrophobicContact CD1-CG 4.07Å; L452-L454 HydrophobicContact CD2-CD1 3.87Å; L452-L454 HydrophobicContact CG-CD1 3.77Å; L452-L454 HydrophobicContact CG-CG 4.13Å; L452-F467 HydrophobicContact CD2-CD1 4.44Å; L452-F467 HydrophobicContact CD2-CE1 4.13Å; L452-L470 HydrophobicContact CD2-CD1 4.01Å; L452-L473 HydrophobicContact CB-CD1 3.82Å; L452-L475 PolarHBondContact N-O 2.92Å; L452-L476 HydrophobicContact CB-CD1 4.1Å; L452-L476 HydrophobicContact CD2-CD1 3.98Å; L452-L476 HydrophobicContact CG-CD1 3.97Å; L452-F477 PolarHBondContact O-N 3.15Å
453	Y	94.9	Very high	93.3	Very high	9 Å²	9	33.9 Å²	33.9	4%	0.035	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115.8	-179.8	-61.3	-90.9	0	0	0	109.7	L428 Y429 L430 N431 E455 F477	L428-Y453 PolarHBondContact O-N 2.85Å; Y429-Y453 HydrophobicContact CD1-CD1 4.47Å; Y429-Y453 AromaticContact CD1-CD2 3.35Å; Y429-Y453 HydrophobicContact CD1-CD2 3.35Å; Y429-Y453 AromaticContact CD1-CE2 3.9Å; Y429-Y453 HydrophobicContact CD1-CE2 3.9Å; Y429-Y453 AromaticContact CD1-CG 3.68Å; Y429-Y453 HydrophobicContact CD1-CG 3.68Å; Y429-Y453 HydrophobicContact CD2-CD2 4.46Å; Y429-Y453 HydrophobicContact CE1-CD1 4.41Å; Y429-Y453 AromaticContact CE1-CD2 3.33Å; Y429-Y453 HydrophobicContact CE1-CD2 3.33Å; Y429-Y453 HydrophobicContact CE1-CE1 4.42Å; Y429-Y453 AromaticContact CE1-CE2 3.33Å; Y429-Y453 HydrophobicContact CE1-CE2 3.33Å; Y429-Y453 AromaticContact CE1-CG 3.9Å; Y429-Y453 HydrophobicContact CE1-CG 3.9Å; Y429-Y453 AromaticContact CE1-CZ 3.92Å; Y429-Y453 HydrophobicContact CE2-CD2 4.45Å; Y429-Y453 HydrophobicContact CE2-CE2 4.41Å; Y429-Y453 AromaticContact CG-CD2 3.94Å; Y429-Y453 HydrophobicContact CG-CD2 3.94Å; Y429-Y453 HydrophobicContact CG-CG 4.48Å; Y429-Y453 AromaticContact CZ-CD2 3.92Å; Y429-Y453 AromaticContact CZ-CE2 3.64Å; L430-Y453 CarbonylContact C-O 3.52Å; L430-Y453 WeakPolarHBondContact CA-O 3.36Å; L430-Y453 PolarHBondContact N-O 3.15Å; N431-Y453 PolarHBondContact N-O 2.95Å; Y453-E455 VanDerWaalsContact CA-OE2 3.27Å; Y453-E455 WeakPolarHBondContact CA-OE2 3.27Å; Y453-E455 VanDerWaalsContact CB-OE2 3.29Å; Y453-E455 WeakPolarHBondContact CB-OE2 3.3Å; Y453-F477 HydrophobicContact CD1-CB 4.19Å; Y453-F477 AromaticContact CD1-CD2 3.64Å; Y453-F477 HydrophobicContact CD1-CD2 3.64Å; Y453-F477 HydrophobicContact CD1-CE2 4.27Å; Y453-F477 HydrophobicContact CD1-CG 4.05Å; Y453-F477 AromaticContact CE1-CD2 3.53Å; Y453-F477 HydrophobicContact CE1-CD2 3.53Å; Y453-F477 AromaticContact CE1-CE2 3.68Å; Y453-F477 HydrophobicContact CE1-CE2 3.68Å; Y453-F477 HydrophobicContact CE1-CG 4.28Å
454	L	95.9	Very high	93.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.			trans	-131	10.6	-176.2	-74.6	162.6	0	0	0	112	L430 L435 L438 F443 L452 N457 I459 L476 F477 L478 N481	L430-L454 HydrophobicContact CB-CD2 3.71Å; L430-L454 HydrophobicContact CD1-CD2 3.98Å; L435-L454 HydrophobicContact CD1-CD2 3.77Å; L438-L454 HydrophobicContact CD1-CD1 3.9Å; F443-L454 HydrophobicContact CZ-CD1 4.27Å; L452-L454 HydrophobicContact CD1-CD1 4.08Å; L452-L454 HydrophobicContact CD1-CG 4.07Å; L452-L454 HydrophobicContact CD2-CD1 3.87Å; L452-L454 HydrophobicContact CG-CD1 3.77Å; L452-L454 HydrophobicContact CG-CG 4.13Å; L454-N457 PolarHBondContact O-ND2 3.13Å; L454-I459 HydrophobicContact CB-CD1 4.16Å; L454-I459 HydrophobicContact CD2-CD1 4.36Å; L454-L476 HydrophobicContact CD1-CD1 4.34Å; L454-F477 CarbonylContact C-O 3.18Å; L454-F477 WeakPolarHBondContact CA-O 3.41Å; L454-F477 WeakPolarHBondContact CB-O 3.4Å; L454-F477 PolarHBondContact N-O 3.43Å; L454-L478 HydrophobicContact CB-CD2 3.82Å; L454-L478 HydrophobicContact CD1-CD2 3.91Å; L454-N481 PolarHBondContact O-ND2 3.1Å
455	E	90.1	Very high	93.2	Very high	12 Å²	12	38.6 Å²	38.6	6%	0.056	20%	0.195	C	C	.	.			trans	-63.1	154	179	65	-85.5	-160.7	0	0	113.3	N431 G432 Y453 N457 F477 N479	N431-E455 CarbonylContact C-O 3.08Å; N431-E455 WeakPolarHBondContact CA-O 3.45Å; N431-E455 HydrophobicContact CB-CG 3.85Å; G432-E455 PolarHBondContact N-O 2.85Å; Y453-E455 VanDerWaalsContact CA-OE2 3.27Å; Y453-E455 WeakPolarHBondContact CA-OE2 3.27Å; Y453-E455 VanDerWaalsContact CB-OE2 3.29Å; Y453-E455 WeakPolarHBondContact CB-OE2 3.3Å; E455-N457 VanDerWaalsContact C-N 3.29Å; E455-N457 PolarHBondContact O-N 2.85Å; E455-N457 PolarHBondContact O-ND2 3.47Å; E455-F477 PolarHBondContact N-O 2.87Å; E455-F477 VanDerWaalsContact OE2-CB 3.29Å; E455-F477 WeakPolarHBondContact OE2-CB 3.46Å; E455-N479 WeakPolarHBondContact CA-O 3.27Å; E455-N479 VanDerWaalsContact CB-O 3.23Å; E455-N479 WeakPolarHBondContact CB-O 3.36Å
456	Y	91.9	Very high	93.5	Very high	88 Å²	88	37.8 Å²	37.8	35%	0.345	19%	0.186	S	C	.	.	S	Bend	trans	53.9	44.1	-176.4	-55.3	-84.3	0	0	0	113	Y143 G432 N433 N479 N480	Y143-Y456 HydrophobicContact CE1-CE1 4.39Å; Y143-Y456 AromaticContact CE2-CZ 3.9Å; Y143-Y456 WeakPolarHBondContact CE2-OH 3.24Å; Y143-Y456 AromaticContact CZ-CZ 3.52Å; Y143-Y456 WeakPolarHBondContact OH-CE2 3.3Å; Y143-Y456 VanDerWaalsContact OH-CZ 3.26Å; Y143-Y456 PolarHBondContact OH-OH 3.36Å; G432-Y456 VanDerWaalsContact CA-O 3.25Å; G432-Y456 WeakPolarHBondContact CA-O 3.39Å; G432-Y456 PolarHBondContact N-O 3.48Å; N433-Y456 PolarHBondContact N-O 3.41Å; Y456-N479 PolarHBondContact N-O 3.29Å; Y456-N479 VanDerWaalsContact N-O 3.16Å; Y456-N480 WeakPolarHBondContact CA-O 3.24Å; Y456-N480 HydrophobicContact CD1-CB 3.57Å; Y456-N480 HydrophobicContact CE1-CB 3.68Å; Y456-N480 VanDerWaalsContact CE1-ND2 3.28Å; Y456-N480 WeakPolarHBondContact CE1-ND2 3.31Å; Y456-N480 WeakPolarHBondContact CE2-ND2 3.3Å; Y456-N480 HydrophobicContact CG-CB 4.06Å; Y456-N480 PolarHBondContact N-O 3.24Å; Y456-N480 PolarHBondContact OH-ND2 3.34Å; Y456-N480 VanDerWaalsContact OH-ND2 3.08Å
457	N	94.9	Very high	93.5	Very high	9 Å²	9	37.8 Å²	37.8	5%	0.048	19%	0.186	C	C	.	.	S	Bend	trans	-106.9	-169.2	164.6	-83	-97.3	0	0	0	109.3	L430 N433 L435 L454 E455 I459 N481	L430-N457 PolarHBondContact O-ND2 3.37Å; N433-N457 WeakPolarHBondContact CA-OD1 3.28Å; N433-N457 WeakPolarHBondContact CB-OD1 3.47Å; N433-N457 WeakPolarHBondContact O-CA 3.39Å; N433-N457 PolarHBondContact O-OD1 2.83Å; L435-N457 HydrophobicContact CB-CB 4.47Å; L435-N457 WeakPolarHBondContact CB-OD1 3.43Å; L435-N457 WeakPolarHBondContact CG-OD1 3.24Å; L435-N457 PolarHBondContact N-OD1 2.78Å; L454-N457 PolarHBondContact O-ND2 3.13Å; E455-N457 VanDerWaalsContact C-N 3.29Å; E455-N457 PolarHBondContact O-N 2.85Å; E455-N457 PolarHBondContact O-ND2 3.47Å; N457-I459 HydrophobicContact CB-CD1 4Å; N457-I459 HydrophobicContact CB-CG1 3.81Å; N457-N481 WeakPolarHBondContact CA-OD1 3.49Å; N457-N481 WeakPolarHBondContact CB-OD1 3.41Å; N457-N481 PolarHBondContact O-OD1 2.93Å
458	V	95.7	Very high	93.5	Very high	47 Å²	47	36.1 Å²	36.1	29%	0.285	18%	0.181	S	C	.	.			trans	-118.9	34.8	177.6	-69.5	0	0	0	0	111	L435 E436 K460 N481 L482	L435-V458 CarbonylContact O-C 3.48Å; L435-V458 WeakPolarHBondContact O-CG2 3.37Å; L435-V458 PolarHBondContact O-N 2.84Å; E436-V458 HydrophobicContact CG-CG2 3.93Å; V458-K460 PolarHBondContact O-N 2.8Å; V458-N481 PolarHBondContact N-OD1 3.45Å; V458-L482 HydrophobicContact CB-CD1 3.98Å; V458-L482 HydrophobicContact CG1-CD1 4.37Å
459	I	97.1	Very high	93.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.			trans	-70.9	117	-170.8	-54.3	164.4	0	0	0	109.3	L435 E436 L438 L454 N457 I462 L478 N481 L482 L483	L435-I459 HydrophobicContact CB-CG1 4.14Å; L435-I459 WeakPolarHBondContact O-CA 3.36Å; L435-I459 VanDerWaalsContact O-CG1 3.24Å; L435-I459 WeakPolarHBondContact O-CG1 3.19Å; L435-I459 PolarHBondContact O-N 3.09Å; L435-I459 VanDerWaalsContact O-N 3.09Å; E436-I459 CarbonylContact O-C 3.56Å; E436-I459 WeakPolarHBondContact O-CA 3.03Å; L438-I459 HydrophobicContact CD1-CD1 4.18Å; L438-I459 HydrophobicContact CD1-CG2 4.48Å; L438-I459 HydrophobicContact CD2-CD1 4.11Å; L438-I459 HydrophobicContact CD2-CG1 4.47Å; L438-I459 HydrophobicContact CG-CD1 4.23Å; L438-I459 HydrophobicContact CG-CG2 3.94Å; L454-I459 HydrophobicContact CB-CD1 4.16Å; L454-I459 HydrophobicContact CD2-CD1 4.36Å; N457-I459 HydrophobicContact CB-CD1 4Å; N457-I459 HydrophobicContact CB-CG1 3.81Å; I459-I462 HydrophobicContact CG2-CG1 4.28Å; I459-L478 HydrophobicContact CD1-CD2 4.13Å; I459-N481 HydrophobicContact CB-CB 4.44Å; I459-N481 WeakPolarHBondContact CB-OD1 3.41Å; I459-N481 VanDerWaalsContact CG1-OD1 3.28Å; I459-N481 WeakPolarHBondContact CG1-OD1 3.45Å; I459-N481 PolarHBondContact N-OD1 3.19Å; I459-L482 CarbonylContact O-C 3.48Å; I459-L482 WeakPolarHBondContact O-CA 3.38Å; I459-L482 WeakPolarHBondContact O-CB 3.39Å; I459-L482 PolarHBondContact O-N 3.05Å; I459-L483 HydrophobicContact CB-CD2 4.24Å; I459-L483 HydrophobicContact CG2-CD2 3.66Å; I459-L483 PolarHBondContact O-N 2.71Å
460	K	94.5	Very high	93.1	Very high	94 Å²	94	35.9 Å²	35.9	41%	0.409	18%	0.181	S	C	.	.			trans	-95.8	-32.5	-178.4	-62.4	159.3	-162.5	173.3	0	112.2	E436 V458 L482	E436-K460 PolarHBondContact O-N 3.09Å; E436-K460 IonicContact OE1-NZ 3.87Å; E436-K460 PolarHBondContact OE1-NZ 3.03Å; E436-K460 IonicContact OE2-NZ 2.78Å; E436-K460 PolarHBondContact OE2-NZ 2.74Å; V458-K460 PolarHBondContact O-N 2.8Å; K460-L482 HydrophobicContact CG-CB 3.91Å; K460-L482 HydrophobicContact CG-CD1 4.15Å
461	E	93.9	Very high	93	Very high	84 Å²	84	39 Å²	39	39%	0.393	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	143.6	-173.7	-164.4	-168.8	171.5	0	0	111.5	V437 L438 K463	V437-E461 WeakPolarHBondContact CA-O 3.41Å; V437-E461 HydrophobicContact CG1-CB 4.39Å; V437-E461 HydrophobicContact CG2-CB 4.49Å; L438-E461 PolarHBondContact N-O 3.08Å; E461-K463 WeakPolarHBondContact OE1-CE 3.02Å; E461-K463 IonicContact OE1-NZ 3.41Å; E461-K463 PolarHBondContact OE1-NZ 2.87Å; E461-K463 WeakPolarHBondContact OE2-CE 3.38Å; E461-K463 IonicContact OE2-NZ 3.55Å; E461-K463 PolarHBondContact OE2-NZ 3.38Å
462	I	95.5	Very high	92.9	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.3	168.7	-59.4	-179.7	0	0	0	106.8	L438 I459 T466 F467 L478 L483 L486 P487 I490	L438-I462 HydrophobicContact CB-CG1 4.25Å; L438-I462 HydrophobicContact CB-CG2 4.29Å; L438-I462 HydrophobicContact CD1-CD1 4.08Å; L438-I462 HydrophobicContact CD1-CG1 3.99Å; L438-I462 HydrophobicContact CG-CG1 4.24Å; I459-I462 HydrophobicContact CG2-CG1 4.28Å; I462-T466 HydrophobicContact CG2-CG2 4.01Å; I462-F467 HydrophobicContact CD1-CE2 4.23Å; I462-F467 HydrophobicContact CD1-CZ 4.13Å; I462-F467 HydrophobicContact CG2-CE2 4.27Å; I462-F467 HydrophobicContact CG2-CZ 4.37Å; I462-L478 HydrophobicContact CD1-CD1 3.94Å; I462-L478 HydrophobicContact CD1-CD2 4.35Å; I462-L483 HydrophobicContact CD1-CD1 4.08Å; I462-L483 HydrophobicContact CD1-CD2 3.97Å; I462-L483 HydrophobicContact CG1-CD2 3.76Å; I462-L486 HydrophobicContact CD1-CD2 4Å; I462-P487 WeakPolarHBondContact O-CD 3.47Å; I462-P487 WeakPolarHBondContact O-CG 3.49Å; I462-I490 HydrophobicContact CG2-CD1 3.72Å; I462-I490 HydrophobicContact CG2-CG1 4.28Å
463	K	93.7	Very high	92.8	Very high	59 Å²	59	41.2 Å²	41.2	26%	0.257	21%	0.212	S	C	.	.			trans	-74.8	153.9	178.2	-62.5	-64.1	173.8	-172.2	0	111.4	V437 L438 Y439 E461 T466	V437-K463 HydrophobicContact CG1-CG 4.37Å; L438-K463 WeakPolarHBondContact O-CB 3.29Å; L438-K463 VanDerWaalsContact O-CG 3.31Å; L438-K463 WeakPolarHBondContact O-CG 3.5Å; L438-K463 PolarHBondContact O-N 3.02Å; Y439-K463 HydrophobicContact CD1-CG 3.74Å; Y439-K463 HydrophobicContact CE1-CG 4.04Å; Y439-K463 HydrophobicContact CG-CG 4.43Å; E461-K463 WeakPolarHBondContact OE1-CE 3.02Å; E461-K463 IonicContact OE1-NZ 3.41Å; E461-K463 PolarHBondContact OE1-NZ 2.87Å; E461-K463 WeakPolarHBondContact OE2-CE 3.38Å; E461-K463 IonicContact OE2-NZ 3.55Å; E461-K463 PolarHBondContact OE2-NZ 3.38Å; K463-T466 VanDerWaalsContact O-CB 3.31Å; K463-T466 WeakPolarHBondContact O-CB 3.5Å; K463-T466 PolarHBondContact O-N 2.63Å; K463-T466 PolarHBondContact O-OG1 3.15Å
464	P	91	Very high	92.6	Very high	75 Å²	75	43.9 Å²	43.9	49%	0.487	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	150.1	174.2	-23.9	32.4	0	0	0	112.4	P440 T466 P487	P440-P464 VanDerWaalsContact CG-O 3.28Å; P440-P464 WeakPolarHBondContact CG-O 3.42Å; P464-T466 PolarHBondContact O-N 3.17Å; P464-T466 VanDerWaalsContact O-N 3.16Å; P464-P487 HydrophobicContact CB-CB 4.28Å; P464-P487 HydrophobicContact CG-CB 3.87Å
465	L	89.7	Confident	92.3	Very high	93 Å²	93	44.8 Å²	44.8	49%	0.487	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	9	-179.1	-50.6	175.9	0	0	0	116.1	P440 F467 D468	P440-L465 HydrophobicContact CG-CB 4.35Å; L465-F467 PolarHBondContact O-N 3.02Å; L465-F467 VanDerWaalsContact O-N 3.1Å; L465-D468 HydrophobicContact CB-CB 4.16Å; L465-D468 HydrophobicContact CD2-CB 4.42Å; L465-D468 WeakPolarHBondContact O-CB 3.36Å; L465-D468 PolarHBondContact O-N 3.02Å; L465-D468 VanDerWaalsContact O-N 3.08Å
466	T	93.3	Very high	92.5	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.7	-173.4	-70.1	0	0	0	0	114.4	L438 F443 I462 K463 P464	L438-T466 HydrophobicContact CB-CG2 3.75Å; F443-T466 HydrophobicContact CD2-CG2 3.71Å; F443-T466 HydrophobicContact CE2-CG2 3.72Å; I462-T466 HydrophobicContact CG2-CG2 4.01Å; K463-T466 VanDerWaalsContact O-CB 3.31Å; K463-T466 WeakPolarHBondContact O-CB 3.5Å; K463-T466 PolarHBondContact O-N 2.63Å; K463-T466 PolarHBondContact O-OG1 3.15Å; P464-T466 PolarHBondContact O-N 3.17Å; P464-T466 VanDerWaalsContact O-N 3.16Å
467	F	93.2	Very high	92.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	5.5	179.3	-51.9	-49.7	0	0	0	113.9	L438 F443 L452 I462 L465 A469 L470 L476 L478 I490 F491 T494	L438-F467 HydrophobicContact CD1-CE1 4.18Å; L438-F467 HydrophobicContact CD1-CZ 3.98Å; F443-F467 HydrophobicContact CD2-CD1 4.41Å; F443-F467 HydrophobicContact CD2-CE1 4.42Å; F443-F467 HydrophobicContact CE2-CD1 4.44Å; F443-F467 HydrophobicContact CE2-CE1 4Å; L452-F467 HydrophobicContact CD2-CD1 4.44Å; L452-F467 HydrophobicContact CD2-CE1 4.13Å; I462-F467 HydrophobicContact CD1-CE2 4.23Å; I462-F467 HydrophobicContact CD1-CZ 4.13Å; I462-F467 HydrophobicContact CG2-CE2 4.27Å; I462-F467 HydrophobicContact CG2-CZ 4.37Å; L465-F467 PolarHBondContact O-N 3.02Å; L465-F467 VanDerWaalsContact O-N 3.1Å; F467-A469 VanDerWaalsContact C-N 3.26Å; F467-A469 PolarHBondContact O-N 3.15Å; F467-L470 HydrophobicContact CB-CD1 4.12Å; F467-L470 HydrophobicContact CD1-CD1 3.76Å; F467-L470 HydrophobicContact CG-CD1 4.36Å; F467-L470 VanDerWaalsContact O-CB 3.3Å; F467-L470 WeakPolarHBondContact O-CB 3.48Å; F467-L470 PolarHBondContact O-N 3.4Å; F467-L476 HydrophobicContact CD2-CD2 4.05Å; F467-L476 HydrophobicContact CE2-CD2 3.68Å; F467-L476 HydrophobicContact CZ-CD1 4.4Å; F467-L476 HydrophobicContact CZ-CD2 4Å; F467-L478 HydrophobicContact CZ-CD1 4.46Å; F467-I490 HydrophobicContact CD2-CD1 3.76Å; F467-I490 HydrophobicContact CD2-CG1 3.8Å; F467-I490 HydrophobicContact CE2-CD1 4.16Å; F467-I490 HydrophobicContact CE2-CG1 4.09Å; F467-I490 HydrophobicContact CG-CD1 4.43Å; F467-F491 HydrophobicContact CD2-CD1 4.31Å; F467-F491 HydrophobicContact CD2-CE1 4.03Å; F467-F491 HydrophobicContact CE2-CE1 4.23Å; F467-T494 HydrophobicContact CB-CG2 3.87Å; F467-T494 VanDerWaalsContact O-CG2 3.31Å; F467-T494 WeakPolarHBondContact O-CG2 3.45Å
468	D	89.2	Confident	92.6	Very high	77 Å²	77	40.2 Å²	40.2	41%	0.412	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.8	-173	-165.1	57	0	0	0	112.9	L465 L470	L465-D468 HydrophobicContact CB-CB 4.16Å; L465-D468 HydrophobicContact CD2-CB 4.42Å; L465-D468 WeakPolarHBondContact O-CB 3.36Å; L465-D468 PolarHBondContact O-N 3.02Å; L465-D468 VanDerWaalsContact O-N 3.08Å; D468-L470 PolarHBondContact O-N 3.18Å
469	A	87.2	Confident	92.4	Very high	33 Å²	33	38.7 Å²	38.7	27%	0.273	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-12.2	173.8	0	0	0	0	0	114.4	F467 I471	F467-A469 VanDerWaalsContact C-N 3.26Å; F467-A469 PolarHBondContact O-N 3.15Å; A469-I471 VanDerWaalsContact C-N 3.34Å; A469-I471 PolarHBondContact O-N 3.12Å
470	L	92.8	Very high	92.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.			trans	-94.5	55.1	-170.1	-54.1	-178.5	0	0	0	112.1	F443 L446 L449 L452 F467 D468 N472 L473	F443-L470 HydrophobicContact CB-CD1 4.46Å; F443-L470 HydrophobicContact CB-CD2 4.22Å; L446-L470 HydrophobicContact CB-CD2 3.48Å; L446-L470 VanDerWaalsContact CB-CD2 3.48Å; L446-L470 HydrophobicContact CD1-CD2 4.44Å; L449-L470 HydrophobicContact CB-CD2 4.2Å; L449-L470 HydrophobicContact CD2-CD1 4.2Å; L449-L470 HydrophobicContact CD2-CD2 3.98Å; L452-L470 HydrophobicContact CD2-CD1 4.01Å; F467-L470 HydrophobicContact CB-CD1 4.12Å; F467-L470 HydrophobicContact CD1-CD1 3.76Å; F467-L470 HydrophobicContact CG-CD1 4.36Å; F467-L470 VanDerWaalsContact O-CB 3.3Å; F467-L470 WeakPolarHBondContact O-CB 3.48Å; F467-L470 PolarHBondContact O-N 3.4Å; D468-L470 PolarHBondContact O-N 3.18Å; L470-N472 PolarHBondContact O-N 3.48Å; L470-L473 HydrophobicContact CB-CB 3.95Å; L470-L473 HydrophobicContact CB-CD2 4.25Å; L470-L473 HydrophobicContact CD1-CD2 4Å; L470-L473 WeakPolarHBondContact O-CB 3.46Å; L470-L473 PolarHBondContact O-N 2.82Å
471	I	89.8	Confident	92.1	Very high	103 Å²	103	36 Å²	36	53%	0.528	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.7	-168.9	-56.5	170.7	0	0	0	113.4	A469 G493	A469-I471 VanDerWaalsContact C-N 3.34Å; A469-I471 PolarHBondContact O-N 3.12Å; I471-G493 WeakPolarHBondContact CA-O 3.01Å
472	N	90.7	Very high	92.2	Very high	77 Å²	77	35 Å²	35	41%	0.412	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	7.2	-178.8	-72.7	-81.4	0	0	0	114.5	Q447 L449 Q450 L470 Q474	Q447-N472 PolarHBondContact O-ND2 2.9Å; L449-N472 CarbonylContact O-C 3.03Å; Q450-N472 HydrophobicContact CG-CB 4.39Å; L470-N472 PolarHBondContact O-N 3.48Å; N472-Q474 PolarHBondContact O-N 3.48Å
473	L	93.9	Very high	92.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.			trans	-67.8	126	-171.9	-172.3	67.4	0	0	0	111.8	L449 L452 L470 L476 T494 A495 L496	L449-L473 HydrophobicContact CD2-CD1 4.22Å; L449-L473 HydrophobicContact CG-CD1 4.41Å; L449-L473 VanDerWaalsContact O-CA 3.25Å; L449-L473 WeakPolarHBondContact O-CA 3.03Å; L449-L473 PolarHBondContact O-N 2.99Å; L452-L473 HydrophobicContact CB-CD1 3.82Å; L470-L473 HydrophobicContact CB-CB 3.95Å; L470-L473 HydrophobicContact CB-CD2 4.25Å; L470-L473 HydrophobicContact CD1-CD2 4Å; L470-L473 WeakPolarHBondContact O-CB 3.46Å; L470-L473 PolarHBondContact O-N 2.82Å; L473-L476 HydrophobicContact CD2-CB 4.36Å; L473-L476 HydrophobicContact CD2-CD2 4.47Å; L473-T494 HydrophobicContact CD2-CG2 4.45Å; L473-A495 CarbonylContact O-C 3.57Å; L473-A495 WeakPolarHBondContact O-CA 3.24Å; L473-A495 PolarHBondContact O-N 3.39Å; L473-L496 HydrophobicContact CB-CD2 4.49Å; L473-L496 HydrophobicContact CD2-CD2 3.92Å; L473-L496 HydrophobicContact CG-CD2 3.8Å; L473-L496 WeakPolarHBondContact O-CA 3.45Å; L473-L496 PolarHBondContact O-N 3.49Å; L473-L496 VanDerWaalsContact O-N 3.13Å
474	Q	89.6	Confident	92.2	Very high	65 Å²	65	40.4 Å²	40.4	30%	0.304	21%	0.207	S	C	.	.			trans	-112.6	-48.6	-177.7	-66.7	175.9	-3.4	0	0	111.5	Q450 N472 T497 R498	Q450-Q474 WeakPolarHBondContact O-CB 3.48Å; Q450-Q474 PolarHBondContact O-N 2.87Å; N472-Q474 PolarHBondContact O-N 3.48Å; Q474-T497 HydrophobicContact CB-CG2 4.2Å; Q474-T497 HydrophobicContact CG-CG2 4.26Å; Q474-T497 PolarHBondContact O-N 2.67Å; Q474-T497 PolarHBondContact O-OG1 3.27Å; Q474-R498 PolarHBondContact O-N 3.22Å; Q474-R498 VanDerWaalsContact O-N 3.15Å
475	L	90	Very high	92.2	Very high	19 Å²	19	39.8 Å²	39.8	10%	0.099	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.8	178.7	-58.8	-164.3	0	0	0	111.4	V238 Q450 Y451 L452 F477 R498	V238-L475 HydrophobicContact CG1-CD1 4.02Å; Q450-L475 PolarHBondContact O-N 2.99Å; Y451-L475 HydrophobicContact CD1-CB 3.93Å; Y451-L475 HydrophobicContact CD1-CD1 3.67Å; Y451-L475 HydrophobicContact CD1-CG 3.78Å; Y451-L475 HydrophobicContact CE1-CD1 3.71Å; Y451-L475 HydrophobicContact CE1-CG 3.89Å; L452-L475 PolarHBondContact N-O 2.92Å; L475-F477 HydrophobicContact CB-CD2 4.49Å; L475-F477 HydrophobicContact CB-CE2 4.12Å; L475-F477 HydrophobicContact CD1-CE2 4.12Å; L475-R498 HydrophobicContact CD2-CB 3.66Å; L475-R498 HydrophobicContact CD2-CG 4.42Å
476	L	95.1	Very high	92.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	114.3	172.7	177.6	56.1	0	0	0	110.5	L452 L454 F467 L473 L478 F491 L496 R498 L499 N500	L452-L476 HydrophobicContact CB-CD1 4.1Å; L452-L476 HydrophobicContact CD2-CD1 3.98Å; L452-L476 HydrophobicContact CG-CD1 3.97Å; L454-L476 HydrophobicContact CD1-CD1 4.34Å; F467-L476 HydrophobicContact CD2-CD2 4.05Å; F467-L476 HydrophobicContact CE2-CD2 3.68Å; F467-L476 HydrophobicContact CZ-CD1 4.4Å; F467-L476 HydrophobicContact CZ-CD2 4Å; L473-L476 HydrophobicContact CD2-CB 4.36Å; L473-L476 HydrophobicContact CD2-CD2 4.47Å; L476-L478 HydrophobicContact CD1-CD1 4.2Å; L476-L478 HydrophobicContact CD1-CG 4.03Å; L476-L478 HydrophobicContact CD2-CD1 3.93Å; L476-L478 HydrophobicContact CG-CD1 3.96Å; L476-L478 HydrophobicContact CG-CG 4.13Å; L476-F491 HydrophobicContact CD2-CE1 3.89Å; L476-L496 HydrophobicContact CB-CD2 3.78Å; L476-R498 PolarHBondContact N-O 2.88Å; L476-R498 VanDerWaalsContact N-O 3.17Å; L476-L499 HydrophobicContact CB-CD1 4.12Å; L476-L499 HydrophobicContact CD2-CD1 3.94Å; L476-L499 HydrophobicContact CG-CD1 3.98Å; L476-L499 WeakPolarHBondContact O-CA 3.29Å; L476-N500 PolarHBondContact O-N 3.26Å
477	F	92.3	Very high	92.3	Very high	13 Å²	13	36.7 Å²	36.7	6%	0.057	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	117.4	175.6	-72.3	-96.4	0	0	0	110.2	L452 Y453 L454 E455 L475 N479 N500	L452-F477 PolarHBondContact O-N 3.15Å; Y453-F477 HydrophobicContact CD1-CB 4.19Å; Y453-F477 AromaticContact CD1-CD2 3.64Å; Y453-F477 HydrophobicContact CD1-CD2 3.64Å; Y453-F477 HydrophobicContact CD1-CE2 4.27Å; Y453-F477 HydrophobicContact CD1-CG 4.05Å; Y453-F477 AromaticContact CE1-CD2 3.53Å; Y453-F477 HydrophobicContact CE1-CD2 3.53Å; Y453-F477 AromaticContact CE1-CE2 3.68Å; Y453-F477 HydrophobicContact CE1-CE2 3.68Å; Y453-F477 HydrophobicContact CE1-CG 4.28Å; L454-F477 CarbonylContact C-O 3.18Å; L454-F477 WeakPolarHBondContact CA-O 3.41Å; L454-F477 WeakPolarHBondContact CB-O 3.4Å; L454-F477 PolarHBondContact N-O 3.43Å; E455-F477 PolarHBondContact N-O 2.87Å; E455-F477 VanDerWaalsContact OE2-CB 3.29Å; E455-F477 WeakPolarHBondContact OE2-CB 3.46Å; L475-F477 HydrophobicContact CB-CD2 4.49Å; L475-F477 HydrophobicContact CB-CE2 4.12Å; L475-F477 HydrophobicContact CD1-CE2 4.12Å; F477-N479 WeakPolarHBondContact CD1-OD1 3.5Å; F477-N500 HydrophobicContact CD1-CB 3.64Å; F477-N500 HydrophobicContact CE1-CB 4.08Å; F477-N500 HydrophobicContact CG-CB 4.33Å
478	L	95.5	Very high	92.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.216	C	C	.	.			trans	-126.4	12.8	179.5	-76.2	167	0	0	0	111.7	L438 L454 I459 I462 F467 L476 N481 L483 N500 L501 N504	L438-L478 HydrophobicContact CD1-CD2 4.46Å; L454-L478 HydrophobicContact CB-CD2 3.82Å; L454-L478 HydrophobicContact CD1-CD2 3.91Å; I459-L478 HydrophobicContact CD1-CD2 4.13Å; I462-L478 HydrophobicContact CD1-CD1 3.94Å; I462-L478 HydrophobicContact CD1-CD2 4.35Å; F467-L478 HydrophobicContact CZ-CD1 4.46Å; L476-L478 HydrophobicContact CD1-CD1 4.2Å; L476-L478 HydrophobicContact CD1-CG 4.03Å; L476-L478 HydrophobicContact CD2-CD1 3.93Å; L476-L478 HydrophobicContact CG-CD1 3.96Å; L476-L478 HydrophobicContact CG-CG 4.13Å; L478-N481 WeakPolarHBondContact O-CB 3.19Å; L478-N481 PolarHBondContact O-ND2 3.09Å; L478-L483 HydrophobicContact CB-CD1 4.22Å; L478-L483 HydrophobicContact CD1-CD1 4.31Å; L478-L483 HydrophobicContact CD2-CD1 4.47Å; L478-N500 CarbonylContact C-O 3.27Å; L478-N500 WeakPolarHBondContact CA-O 3.5Å; L478-N500 PolarHBondContact N-O 2.03Å; L478-L501 HydrophobicContact CB-CD2 4.01Å; L478-L501 HydrophobicContact CD1-CD2 4.05Å; L478-N504 PolarHBondContact O-ND2 3.41Å
479	N	91.5	Very high	91.9	Very high	16 Å²	16	42.3 Å²	42.3	9%	0.086	22%	0.22	C	C	.	.			trans	-69.5	153.4	-177.5	55.3	-80.5	0	0	0	113.5	E455 Y456 F477 N500 R502	E455-N479 WeakPolarHBondContact CA-O 3.27Å; E455-N479 VanDerWaalsContact CB-O 3.23Å; E455-N479 WeakPolarHBondContact CB-O 3.36Å; Y456-N479 PolarHBondContact N-O 3.29Å; Y456-N479 VanDerWaalsContact N-O 3.16Å; F477-N479 WeakPolarHBondContact CD1-OD1 3.5Å; N479-N500 PolarHBondContact N-O 3.44Å; N479-N500 PolarHBondContact OD1-ND2 2.84Å; N479-N500 VanDerWaalsContact OD1-ND2 3.16Å; N479-R502 CarbonylContact C-O 3.56Å; N479-R502 WeakPolarHBondContact CA-O 3.42Å; N479-R502 HydrophobicContact CB-CB 4.19Å; N479-R502 WeakPolarHBondContact CB-O 3.28Å
480	N	91.1	Very high	92.1	Very high	33 Å²	33	40.9 Å²	40.9	18%	0.176	21%	0.207	C	C	.	.	S	Bend	trans	56.4	61.2	-172.6	-46.6	-78.3	0	0	0	111.4	Y456 R502 N503	Y456-N480 WeakPolarHBondContact CA-O 3.24Å; Y456-N480 HydrophobicContact CD1-CB 3.57Å; Y456-N480 HydrophobicContact CE1-CB 3.68Å; Y456-N480 VanDerWaalsContact CE1-ND2 3.28Å; Y456-N480 WeakPolarHBondContact CE1-ND2 3.31Å; Y456-N480 WeakPolarHBondContact CE2-ND2 3.3Å; Y456-N480 HydrophobicContact CG-CB 4.06Å; Y456-N480 PolarHBondContact N-O 3.24Å; Y456-N480 PolarHBondContact OH-ND2 3.34Å; Y456-N480 VanDerWaalsContact OH-ND2 3.08Å; N480-R502 PolarHBondContact N-O 3.25Å; N480-N503 WeakPolarHBondContact CA-O 3.21Å; N480-N503 PolarHBondContact N-O 2.96Å; N480-N503 PolarHBondContact OD1-ND2 2.8Å
481	N	95.6	Very high	91.9	Very high	5 Å²	5	41 Å²	41	3%	0.027	21%	0.208	C	C	.	.	S	Bend	trans	-136	-174	176.6	-89.4	-75	0	0	0	110.1	L454 N457 V458 I459 L478 L483 N503 N504	L454-N481 PolarHBondContact O-ND2 3.1Å; N457-N481 WeakPolarHBondContact CA-OD1 3.49Å; N457-N481 WeakPolarHBondContact CB-OD1 3.41Å; N457-N481 PolarHBondContact O-OD1 2.93Å; V458-N481 PolarHBondContact N-OD1 3.45Å; I459-N481 HydrophobicContact CB-CB 4.44Å; I459-N481 WeakPolarHBondContact CB-OD1 3.41Å; I459-N481 VanDerWaalsContact CG1-OD1 3.28Å; I459-N481 WeakPolarHBondContact CG1-OD1 3.45Å; I459-N481 PolarHBondContact N-OD1 3.19Å; L478-N481 WeakPolarHBondContact O-CB 3.19Å; L478-N481 PolarHBondContact O-ND2 3.09Å; N481-L483 HydrophobicContact CB-CG 4.38Å; N481-N503 PolarHBondContact N-O 3.14Å; N481-N504 WeakPolarHBondContact CA-OD1 3.31Å; N481-N504 WeakPolarHBondContact CB-OD1 3.47Å; N481-N504 PolarHBondContact O-OD1 2.73Å
482	L	95.8	Very high	91.6	Very high	62 Å²	62	38.5 Å²	38.5	33%	0.325	21%	0.208	S	C	.	.			trans	-110	20.5	-175.1	-58.1	179.5	0	0	0	113.4	V458 I459 K460	V458-L482 HydrophobicContact CB-CD1 3.98Å; V458-L482 HydrophobicContact CG1-CD1 4.37Å; I459-L482 CarbonylContact O-C 3.48Å; I459-L482 WeakPolarHBondContact O-CA 3.38Å; I459-L482 WeakPolarHBondContact O-CB 3.39Å; I459-L482 PolarHBondContact O-N 3.05Å; K460-L482 HydrophobicContact CG-CB 3.91Å; K460-L482 HydrophobicContact CG-CD1 4.15Å
483	L	96.1	Very high	91.2	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.			trans	-67.5	137.2	-173.5	-61.5	173	0	0	0	111.3	I459 I462 L478 N481 L486 L501 N504 H505 F506	I459-L483 HydrophobicContact CB-CD2 4.24Å; I459-L483 HydrophobicContact CG2-CD2 3.66Å; I459-L483 PolarHBondContact O-N 2.71Å; I462-L483 HydrophobicContact CD1-CD1 4.08Å; I462-L483 HydrophobicContact CD1-CD2 3.97Å; I462-L483 HydrophobicContact CG1-CD2 3.76Å; L478-L483 HydrophobicContact CB-CD1 4.22Å; L478-L483 HydrophobicContact CD1-CD1 4.31Å; L478-L483 HydrophobicContact CD2-CD1 4.47Å; N481-L483 HydrophobicContact CB-CG 4.38Å; L483-L486 HydrophobicContact CD1-CD2 4.5Å; L483-L501 HydrophobicContact CD1-CD2 4.42Å; L483-N504 HydrophobicContact CB-CB 4.37Å; L483-N504 VanDerWaalsContact CB-OD1 3.29Å; L483-N504 WeakPolarHBondContact CB-OD1 3.25Å; L483-N504 WeakPolarHBondContact CG-OD1 3.18Å; L483-N504 PolarHBondContact N-OD1 2.95Å; L483-N504 VanDerWaalsContact N-OD1 3.1Å; L483-H505 CarbonylContact O-C 3.57Å; L483-H505 WeakPolarHBondContact O-CA 3.42Å; L483-H505 WeakPolarHBondContact O-CB 3.25Å; L483-H505 PolarHBondContact O-N 2.98Å; L483-F506 HydrophobicContact CB-CE1 4.08Å; L483-F506 HydrophobicContact CB-CE2 3.9Å; L483-F506 HydrophobicContact CB-CZ 3.5Å; L483-F506 VanDerWaalsContact CB-CZ 3.5Å; L483-F506 HydrophobicContact CD1-CE2 4.37Å; L483-F506 HydrophobicContact CD1-CZ 3.98Å; L483-F506 HydrophobicContact CG-CZ 4.38Å; L483-F506 PolarHBondContact O-N 2.74Å
484	R	92.7	Very high	90.9	Very high	176 Å²	176	36.9 Å²	36.9	66%	0.664	21%	0.205	S	C	*	.			trans	-112.9	-27.7	177.9	-63.4	-178.4	179.7	-171	-2.9	114.3	H505 F506	R484-H505 WeakPolarHBondContact CA-O 3.43Å; R484-H505 HydrophobicContact CG-CB 4.05Å; R484-F506 VanDerWaalsContact C-CD1 3.48Å; R484-F506 WeakPolarHBondContact O-CD1 3.49Å
485	S	91.3	Very high	90.8	Very high	62 Å²	62	36.3 Å²	36.3	43%	0.434	21%	0.211	S	C	.	.			trans	-154.9	159.3	-180	56.6	0	0	0	0	109.6
486	L	93.4	Very high	90.8	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.037	21%	0.207	C	C	.	.			trans	-111.9	144.4	169.1	-63.7	-175.9	0	0	0	108.6	I462 L483 I490 F491 L501 F506 L509 V514	I462-L486 HydrophobicContact CD1-CD2 4Å; L483-L486 HydrophobicContact CD1-CD2 4.5Å; L486-I490 HydrophobicContact CB-CG2 4.3Å; L486-F491 HydrophobicContact CD1-CE2 3.85Å; L486-F491 HydrophobicContact CD1-CZ 3.82Å; L486-L501 HydrophobicContact CD1-CD1 4.18Å; L486-F506 HydrophobicContact CD2-CE1 4.19Å; L486-F506 HydrophobicContact CD2-CZ 3.96Å; L486-F506 HydrophobicContact CG-CE1 3.88Å; L486-F506 HydrophobicContact CG-CZ 3.97Å; L486-L509 HydrophobicContact CB-CD1 4.38Å; L486-L509 HydrophobicContact CD1-CD1 4.07Å; L486-L509 HydrophobicContact CG-CD1 4.17Å; L486-V514 HydrophobicContact CB-CG1 4.25Å; L486-V514 HydrophobicContact CB-CG2 4.49Å; L486-V514 HydrophobicContact CD1-CG1 3.97Å
487	P	91.5	Very high	90.4	Very high	23 Å²	23	37.8 Å²	37.8	15%	0.149	22%	0.222	C	C	.	.			trans	-77.7	156.2	179	32.1	-34.3	0	0	0	111.8	I462 P464 I490	I462-P487 WeakPolarHBondContact O-CD 3.47Å; I462-P487 WeakPolarHBondContact O-CG 3.49Å; P464-P487 HydrophobicContact CB-CB 4.28Å; P464-P487 HydrophobicContact CG-CB 3.87Å; P487-I490 HydrophobicContact CG-CB 4.04Å; P487-I490 HydrophobicContact CG-CD1 4.06Å; P487-I490 HydrophobicContact CG-CG1 4.14Å; P487-I490 WeakPolarHBondContact O-CB 3.33Å; P487-I490 WeakPolarHBondContact O-CG2 3.06Å; P487-I490 PolarHBondContact O-N 2.87Å
488	D	88.4	Confident	90.1	Very high	105 Å²	105	39.4 Å²	39.4	56%	0.561	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	141.2	174.2	-64.1	-11.9	0	0	0	111.9	I490	D488-I490 VanDerWaalsContact C-N 3.29Å; D488-I490 PolarHBondContact O-N 3.16Å
489	N	85.9	Confident	89.9	Confident	90 Å²	90	39.4 Å²	39.4	48%	0.481	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	24.3	179.2	-55.6	-64.1	0	0	0	115.9	F491 G513 Q517	N489-F491 VanDerWaalsContact C-N 3.28Å; N489-F491 PolarHBondContact O-N 2.97Å; N489-G513 WeakPolarHBondContact CA-O 3.46Å; N489-G513 PolarHBondContact N-O 3.08Å; N489-Q517 VanDerWaalsContact C-OE1 3.26Å; N489-Q517 VanDerWaalsContact CA-OE1 3.28Å; N489-Q517 PolarHBondContact OD1-NE2 2.9Å
490	I	90.8	Very high	89.8	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	23%	0.229	C	C	.	.	S	Bend	trans	-65.8	-22.7	-176.7	-169.8	52.6	0	0	0	115	I462 F467 L486 P487 D488 V514	I462-I490 HydrophobicContact CG2-CD1 3.72Å; I462-I490 HydrophobicContact CG2-CG1 4.28Å; F467-I490 HydrophobicContact CD2-CD1 3.76Å; F467-I490 HydrophobicContact CD2-CG1 3.8Å; F467-I490 HydrophobicContact CE2-CD1 4.16Å; F467-I490 HydrophobicContact CE2-CG1 4.09Å; F467-I490 HydrophobicContact CG-CD1 4.43Å; L486-I490 HydrophobicContact CB-CG2 4.3Å; P487-I490 HydrophobicContact CG-CB 4.04Å; P487-I490 HydrophobicContact CG-CD1 4.06Å; P487-I490 HydrophobicContact CG-CG1 4.14Å; P487-I490 WeakPolarHBondContact O-CB 3.33Å; P487-I490 WeakPolarHBondContact O-CG2 3.06Å; P487-I490 PolarHBondContact O-N 2.87Å; D488-I490 VanDerWaalsContact C-N 3.29Å; D488-I490 PolarHBondContact O-N 3.16Å; I490-V514 HydrophobicContact CG2-CG1 4.2Å; I490-V514 HydrophobicContact CG2-CG2 4.48Å
491	F	89.6	Confident	89.9	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.009	22%	0.221	C	C	.	.	S	Bend	trans	-113.6	-5.1	-176.3	-60.1	-49	0	0	0	114.1	F467 L476 L486 N489 G493 T494 L496 L499 V514 Q517 L518	F467-F491 HydrophobicContact CD2-CD1 4.31Å; F467-F491 HydrophobicContact CD2-CE1 4.03Å; F467-F491 HydrophobicContact CE2-CE1 4.23Å; L476-F491 HydrophobicContact CD2-CE1 3.89Å; L486-F491 HydrophobicContact CD1-CE2 3.85Å; L486-F491 HydrophobicContact CD1-CZ 3.82Å; N489-F491 VanDerWaalsContact C-N 3.28Å; N489-F491 PolarHBondContact O-N 2.97Å; F491-G493 VanDerWaalsContact C-N 3.26Å; F491-G493 PolarHBondContact O-N 3.14Å; F491-G493 VanDerWaalsContact O-N 3.14Å; F491-T494 PolarHBondContact O-N 3.41Å; F491-T494 PolarHBondContact O-OG1 2.85Å; F491-L496 HydrophobicContact CD1-CD1 3.52Å; F491-L496 HydrophobicContact CE1-CD1 3.87Å; F491-L496 HydrophobicContact CG-CD1 4.05Å; F491-L499 HydrophobicContact CE1-CD1 4.49Å; F491-L499 HydrophobicContact CE1-CD2 4.42Å; F491-L499 HydrophobicContact CE2-CD2 3.68Å; F491-L499 HydrophobicContact CZ-CD1 4.14Å; F491-L499 HydrophobicContact CZ-CD2 3.6Å; F491-V514 HydrophobicContact CD2-CG1 4.04Å; F491-V514 HydrophobicContact CE2-CG1 3.81Å; F491-Q517 HydrophobicContact CB-CB 4.31Å; F491-Q517 VanDerWaalsContact N-OE1 3.09Å; F491-L518 HydrophobicContact CB-CD2 4.01Å; F491-L518 HydrophobicContact CD2-CD2 3.74Å; F491-L518 HydrophobicContact CD2-CG 4.25Å; F491-L518 HydrophobicContact CE2-CD2 4.42Å; F491-L518 HydrophobicContact CG-CD2 3.93Å
492	G	83.4	Confident	89.7	Confident	52 Å²	52	39.9 Å²	39.9	54%	0.536	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.7	-170.8	0	0	0	0	0	115.7
493	G	81.8	Confident	89.4	Confident	23 Å²	23	40.2 Å²	40.2	24%	0.237	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-4.7	173.2	0	0	0	0	0	115.3	I471 F491	I471-G493 WeakPolarHBondContact CA-O 3.01Å; F491-G493 VanDerWaalsContact C-N 3.26Å; F491-G493 PolarHBondContact O-N 3.14Å; F491-G493 VanDerWaalsContact O-N 3.14Å
494	T	87.6	Confident	89.3	Confident	20 Å²	20	40.4 Å²	40.4	12%	0.123	23%	0.23	C	C	.	.			trans	-109.2	153.1	-167.1	69.4	0	0	0	0	114.1	F467 L473 F491	F467-T494 HydrophobicContact CB-CG2 3.87Å; F467-T494 VanDerWaalsContact O-CG2 3.31Å; F467-T494 WeakPolarHBondContact O-CG2 3.45Å; L473-T494 HydrophobicContact CD2-CG2 4.45Å; F491-T494 PolarHBondContact O-N 3.41Å; F491-T494 PolarHBondContact O-OG1 2.85Å
495	A	86.4	Confident	89.4	Confident	52 Å²	52	36.5 Å²	36.5	43%	0.43	22%	0.219	S	C	.	.			trans	-105.3	39.5	-178.3	0	0	0	0	0	113	L473 T497	L473-A495 CarbonylContact O-C 3.57Å; L473-A495 WeakPolarHBondContact O-CA 3.24Å; L473-A495 PolarHBondContact O-N 3.39Å; A495-T497 PolarHBondContact O-N 3.03Å
496	L	90.1	Very high	89.6	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	20%	0.198	C	C	.	.			trans	-58.8	134.4	-168.3	-74.5	172.5	0	0	0	113.3	L473 L476 F491 L518 P519 I522	L473-L496 HydrophobicContact CB-CD2 4.49Å; L473-L496 HydrophobicContact CD2-CD2 3.92Å; L473-L496 HydrophobicContact CG-CD2 3.8Å; L473-L496 WeakPolarHBondContact O-CA 3.45Å; L473-L496 PolarHBondContact O-N 3.49Å; L473-L496 VanDerWaalsContact O-N 3.13Å; L476-L496 HydrophobicContact CB-CD2 3.78Å; F491-L496 HydrophobicContact CD1-CD1 3.52Å; F491-L496 HydrophobicContact CE1-CD1 3.87Å; F491-L496 HydrophobicContact CG-CD1 4.05Å; L496-L518 HydrophobicContact CB-CD2 4.36Å; L496-L518 HydrophobicContact CD1-CD2 4.03Å; L496-P519 WeakPolarHBondContact O-CD 3.4Å; L496-P519 WeakPolarHBondContact O-CG 3Å; L496-I522 HydrophobicContact CB-CD1 3.7Å; L496-I522 WeakPolarHBondContact O-CD1 3.41Å
497	T	87.4	Confident	89.4	Confident	50 Å²	50	35.4 Å²	35.4	31%	0.307	21%	0.212	S	C	.	.	S	Bend	trans	-109.3	-25.2	174.5	65.5	0	0	0	0	112.3	Q474 A495 F521 I522 Q523	Q474-T497 HydrophobicContact CB-CG2 4.2Å; Q474-T497 HydrophobicContact CG-CG2 4.26Å; Q474-T497 PolarHBondContact O-N 2.67Å; Q474-T497 PolarHBondContact O-OG1 3.27Å; A495-T497 PolarHBondContact O-N 3.03Å; T497-F521 HydrophobicContact CG2-CE2 4.32Å; T497-I522 WeakPolarHBondContact O-CA 3.42Å; T497-Q523 PolarHBondContact O-N 3.39Å
498	R	85.8	Confident	89.3	Confident	46 Å²	46	38.4 Å²	38.4	17%	0.174	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	138.9	171.3	171.4	178.7	-172.2	167.1	-19.3	112.3	E210 Q474 L475 L476 Q523	E210-R498 IonicContact OE1-CZ 2.66Å; E210-R498 IonicContact OE1-NH1 3.04Å; E210-R498 PolarHBondContact OE1-NH1 3.13Å; E210-R498 IonicContact OE1-NH2 2.72Å; E210-R498 IonicContact OE2-CZ 2.68Å; E210-R498 IonicContact OE2-NH1 2.89Å; E210-R498 PolarHBondContact OE2-NH1 3.31Å; E210-R498 IonicContact OE2-NH2 3.66Å; E210-R498 PolarHBondContact OE2-NH2 3.48Å; Q474-R498 PolarHBondContact O-N 3.22Å; Q474-R498 VanDerWaalsContact O-N 3.15Å; L475-R498 HydrophobicContact CD2-CB 3.66Å; L475-R498 HydrophobicContact CD2-CG 4.42Å; L476-R498 PolarHBondContact N-O 2.88Å; L476-R498 VanDerWaalsContact N-O 3.17Å; R498-Q523 CarbonylContact C-O 3.55Å; R498-Q523 WeakPolarHBondContact CA-O 3.38Å; R498-Q523 HydrophobicContact CB-CB 3.93Å; R498-Q523 HydrophobicContact CG-CB 3.85Å; R498-Q523 WeakPolarHBondContact CG-O 3.02Å
499	L	92	Very high	89.4	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.7	-173.5	171.3	60.6	0	0	0	109.4	L476 F491 L501 L518 I522 Q523 I524 D525	L476-L499 HydrophobicContact CB-CD1 4.12Å; L476-L499 HydrophobicContact CD2-CD1 3.94Å; L476-L499 HydrophobicContact CG-CD1 3.98Å; L476-L499 WeakPolarHBondContact O-CA 3.29Å; F491-L499 HydrophobicContact CE1-CD1 4.49Å; F491-L499 HydrophobicContact CE1-CD2 4.42Å; F491-L499 HydrophobicContact CE2-CD2 3.68Å; F491-L499 HydrophobicContact CZ-CD1 4.14Å; F491-L499 HydrophobicContact CZ-CD2 3.6Å; L499-L501 HydrophobicContact CD1-CD2 4.28Å; L499-L501 HydrophobicContact CD1-CG 4.23Å; L499-L501 HydrophobicContact CD2-CD1 4.15Å; L499-L501 HydrophobicContact CG-CD1 4.31Å; L499-L501 HydrophobicContact CG-CG 4.14Å; L499-L518 HydrophobicContact CD2-CD1 4.05Å; L499-I522 HydrophobicContact CB-CD1 4.45Å; L499-Q523 PolarHBondContact N-O 3.05Å; L499-I524 HydrophobicContact CB-CG1 4.31Å; L499-I524 HydrophobicContact CD2-CD1 3.95Å; L499-I524 HydrophobicContact CD2-CG1 4.32Å; L499-I524 HydrophobicContact CG-CD1 4.43Å; L499-I524 HydrophobicContact CG-CG1 4.28Å; L499-I524 WeakPolarHBondContact O-CA 2.99Å; L499-D525 PolarHBondContact O-N 3.12Å; L499-D525 VanDerWaalsContact O-N 3.11Å
500	N	88.9	Confident	89.4	Confident	23 Å²	23	31.5 Å²	31.5	12%	0.123	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.3	178.6	-166.3	-9.9	0	0	0	111.5	L476 F477 L478 N479 R502	L476-N500 PolarHBondContact O-N 3.26Å; F477-N500 HydrophobicContact CD1-CB 3.64Å; F477-N500 HydrophobicContact CE1-CB 4.08Å; F477-N500 HydrophobicContact CG-CB 4.33Å; L478-N500 CarbonylContact C-O 3.27Å; L478-N500 WeakPolarHBondContact CA-O 3.5Å; L478-N500 PolarHBondContact N-O 2.03Å; N479-N500 PolarHBondContact N-O 3.44Å; N479-N500 PolarHBondContact OD1-ND2 2.84Å; N479-N500 VanDerWaalsContact OD1-ND2 3.16Å; N500-R502 VanDerWaalsContact OD1-CB 3.24Å; N500-R502 WeakPolarHBondContact OD1-CB 3.21Å; N500-R502 PolarHBondContact OD1-N 3.02Å
501	L	93.7	Very high	89.1	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.198	C	C	.	.			trans	-116.7	8.3	177.5	-63.9	171.4	0	0	0	112.4	L478 L483 L486 L499 N504 F506 I524 D525 L526 N529	L478-L501 HydrophobicContact CB-CD2 4.01Å; L478-L501 HydrophobicContact CD1-CD2 4.05Å; L483-L501 HydrophobicContact CD1-CD2 4.42Å; L486-L501 HydrophobicContact CD1-CD1 4.18Å; L499-L501 HydrophobicContact CD1-CD2 4.28Å; L499-L501 HydrophobicContact CD1-CG 4.23Å; L499-L501 HydrophobicContact CD2-CD1 4.15Å; L499-L501 HydrophobicContact CG-CD1 4.31Å; L499-L501 HydrophobicContact CG-CG 4.14Å; L501-N504 PolarHBondContact O-ND2 3.26Å; L501-F506 HydrophobicContact CB-CE2 4.01Å; L501-F506 HydrophobicContact CD1-CE2 4.31Å; L501-F506 HydrophobicContact CD2-CE2 3.95Å; L501-F506 HydrophobicContact CD2-CZ 4.13Å; L501-F506 HydrophobicContact CG-CE2 4.32Å; L501-I524 HydrophobicContact CD1-CD1 4.44Å; L501-D525 WeakPolarHBondContact CA-O 3.17Å; L501-D525 PolarHBondContact N-O 2.93Å; L501-L526 HydrophobicContact CB-CD2 4.23Å; L501-L526 HydrophobicContact CD1-CD2 3.95Å; L501-N529 PolarHBondContact O-ND2 3.31Å
502	R	90.2	Very high	88.8	Confident	41 Å²	41	41.1 Å²	41.1	16%	0.155	23%	0.234	C	C	.	.			trans	-54.7	143	-179.1	176.4	175.7	168	-143.5	-9.9	112.5	N479 N480 N500 D525 Q527 E528	N479-R502 CarbonylContact C-O 3.56Å; N479-R502 WeakPolarHBondContact CA-O 3.42Å; N479-R502 HydrophobicContact CB-CB 4.19Å; N479-R502 WeakPolarHBondContact CB-O 3.28Å; N480-R502 PolarHBondContact N-O 3.25Å; N500-R502 VanDerWaalsContact OD1-CB 3.24Å; N500-R502 WeakPolarHBondContact OD1-CB 3.21Å; N500-R502 PolarHBondContact OD1-N 3.02Å; R502-D525 HydrophobicContact CB-CB 4.47Å; R502-D525 PolarHBondContact N-O 2.85Å; R502-Q527 VanDerWaalsContact CA-O 3.27Å; R502-Q527 WeakPolarHBondContact CA-O 3.46Å; R502-Q527 HydrophobicContact CG-CB 4.16Å; R502-E528 HydrophobicContact CG-CB 4.36Å; R502-E528 IonicContact CZ-OE1 3.48Å; R502-E528 IonicContact CZ-OE2 3.65Å; R502-E528 VanDerWaalsContact CZ-OE2 3.25Å; R502-E528 VanDerWaalsContact NE-CD 3.28Å; R502-E528 IonicContact NE-OE1 3.07Å; R502-E528 PolarHBondContact NE-OE1 3.35Å; R502-E528 IonicContact NE-OE2 3.37Å; R502-E528 PolarHBondContact NE-OE2 3.43Å; R502-E528 VanDerWaalsContact NH2-CD 3.3Å; R502-E528 IonicContact NH2-OE1 3.81Å; R502-E528 PolarHBondContact NH2-OE1 3.47Å; R502-E528 IonicContact NH2-OE2 2.85Å; R502-E528 PolarHBondContact NH2-OE2 2.68Å
503	N	90	Very high	88.7	Confident	70 Å²	70	39 Å²	39	37%	0.374	21%	0.212	S	C	.	.	S	Bend	trans	55.4	67.7	-179.9	-163	28.7	0	0	0	112.4	N480 N481 Q527 E528	N480-N503 WeakPolarHBondContact CA-O 3.21Å; N480-N503 PolarHBondContact N-O 2.96Å; N480-N503 PolarHBondContact OD1-ND2 2.8Å; N481-N503 PolarHBondContact N-O 3.14Å; N503-Q527 PolarHBondContact N-O 3.1Å; N503-Q527 VanDerWaalsContact N-O 3.09Å; N503-E528 WeakPolarHBondContact CA-O 3.3Å; N503-E528 HydrophobicContact CB-CB 4.19Å; N503-E528 PolarHBondContact N-O 3.1Å
504	N	95.2	Very high	88.9	Confident	4 Å²	4	38 Å²	38	2%	0.021	20%	0.201	C	C	.	.	S	Bend	trans	-132.6	-168.4	172	-88.6	-82.4	0	0	0	108.4	L478 N481 L483 L501 F506 N529 P530	L478-N504 PolarHBondContact O-ND2 3.41Å; N481-N504 WeakPolarHBondContact CA-OD1 3.31Å; N481-N504 WeakPolarHBondContact CB-OD1 3.47Å; N481-N504 PolarHBondContact O-OD1 2.73Å; L483-N504 HydrophobicContact CB-CB 4.37Å; L483-N504 VanDerWaalsContact CB-OD1 3.29Å; L483-N504 WeakPolarHBondContact CB-OD1 3.25Å; L483-N504 WeakPolarHBondContact CG-OD1 3.18Å; L483-N504 PolarHBondContact N-OD1 2.95Å; L483-N504 VanDerWaalsContact N-OD1 3.1Å; L501-N504 PolarHBondContact O-ND2 3.26Å; N504-F506 HydrophobicContact CB-CD2 3.7Å; N504-F506 HydrophobicContact CB-CE2 3.72Å; N504-N529 VanDerWaalsContact CA-OD1 3.26Å; N504-N529 WeakPolarHBondContact CA-OD1 3.45Å; N504-N529 WeakPolarHBondContact CB-OD1 3.45Å; N504-N529 PolarHBondContact N-OD1 2.89Å; N504-N529 PolarHBondContact O-OD1 2.82Å; N504-N529 VanDerWaalsContact O-OD1 3.09Å; N504-P530 WeakPolarHBondContact O-CD 3.5Å
505	H	95	Very high	88.8	Confident	94 Å²	94	37.1 Å²	37.1	44%	0.435	20%	0.196	S	C	.	.			trans	-114.4	33.7	179.8	-70.7	-90.2	0	0	0	112.9	L483 R484 S507 N529 P530	L483-H505 CarbonylContact O-C 3.57Å; L483-H505 WeakPolarHBondContact O-CA 3.42Å; L483-H505 WeakPolarHBondContact O-CB 3.25Å; L483-H505 PolarHBondContact O-N 2.98Å; R484-H505 WeakPolarHBondContact CA-O 3.43Å; R484-H505 HydrophobicContact CG-CB 4.05Å; H505-S507 PolarHBondContact O-N 2.76Å; H505-N529 PolarHBondContact N-OD1 2.64Å; H505-P530 HydrophobicContact CB-CG 4.47Å
506	F	94	Very high	88.6	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.			trans	-69.3	117.7	175.1	-66.6	-71.3	0	0	0	111.2	L483 R484 L486 L501 N504 L509 N529 P530 W531	L483-F506 HydrophobicContact CB-CE1 4.08Å; L483-F506 HydrophobicContact CB-CE2 3.9Å; L483-F506 HydrophobicContact CB-CZ 3.5Å; L483-F506 VanDerWaalsContact CB-CZ 3.5Å; L483-F506 HydrophobicContact CD1-CE2 4.37Å; L483-F506 HydrophobicContact CD1-CZ 3.98Å; L483-F506 HydrophobicContact CG-CZ 4.38Å; L483-F506 PolarHBondContact O-N 2.74Å; R484-F506 VanDerWaalsContact C-CD1 3.48Å; R484-F506 WeakPolarHBondContact O-CD1 3.49Å; L486-F506 HydrophobicContact CD2-CE1 4.19Å; L486-F506 HydrophobicContact CD2-CZ 3.96Å; L486-F506 HydrophobicContact CG-CE1 3.88Å; L486-F506 HydrophobicContact CG-CZ 3.97Å; L501-F506 HydrophobicContact CB-CE2 4.01Å; L501-F506 HydrophobicContact CD1-CE2 4.31Å; L501-F506 HydrophobicContact CD2-CE2 3.95Å; L501-F506 HydrophobicContact CD2-CZ 4.13Å; L501-F506 HydrophobicContact CG-CE2 4.32Å; N504-F506 HydrophobicContact CB-CD2 3.7Å; N504-F506 HydrophobicContact CB-CE2 3.72Å; F506-L509 HydrophobicContact CD1-CD1 4.5Å; F506-L509 HydrophobicContact CE1-CD1 4.45Å; F506-N529 HydrophobicContact CB-CB 4.36Å; F506-N529 VanDerWaalsContact CD2-OD1 3.24Å; F506-N529 WeakPolarHBondContact CD2-OD1 3.19Å; F506-N529 PolarHBondContact N-OD1 2.72Å; F506-N529 VanDerWaalsContact N-OD1 3.13Å; F506-P530 CarbonylContact O-C 3.43Å; F506-P530 WeakPolarHBondContact O-CD 3.43Å; F506-W531 HydrophobicContact CB-CE3 4.42Å; F506-W531 HydrophobicContact CB-CH2 3.62Å; F506-W531 HydrophobicContact CB-CZ2 4.15Å; F506-W531 HydrophobicContact CB-CZ3 3.78Å; F506-W531 HydrophobicContact CG-CH2 4.26Å
507	S	90.6	Very high	88.2	Confident	45 Å²	45	41.5 Å²	41.5	32%	0.315	21%	0.21	S	C	.	.	S	Bend	trans	-89.8	-39.9	167.5	55.8	0	0	0	0	112	H505 P530 W531 D532	H505-S507 PolarHBondContact O-N 2.76Å; S507-P530 WeakPolarHBondContact CA-O 3.48Å; S507-W531 CarbonylContact O-C 3.59Å; S507-W531 WeakPolarHBondContact O-CA 3.18Å; S507-D532 PolarHBondContact O-N 3.25Å
508	H	89.1	Confident	88	Confident	86 Å²	86	40 Å²	40	40%	0.398	20%	0.2	S	C	.	.			trans	-136.4	153.5	172	66.3	83	0	0	0	110.2
509	L	90	Very high	87.6	Confident	5 Å²	5	39.6 Å²	39.6	3%	0.026	20%	0.203	C	C	.	.			trans	-135.6	112.4	176	-176.2	65.8	0	0	0	107.9	L486 F506 V514 L515 L526 W531 L540	L486-L509 HydrophobicContact CB-CD1 4.38Å; L486-L509 HydrophobicContact CD1-CD1 4.07Å; L486-L509 HydrophobicContact CG-CD1 4.17Å; F506-L509 HydrophobicContact CD1-CD1 4.5Å; F506-L509 HydrophobicContact CE1-CD1 4.45Å; L509-V514 HydrophobicContact CD1-CG1 4.34Å; L509-L515 HydrophobicContact CD2-CD1 3.94Å; L509-L515 HydrophobicContact CD2-CD2 4.08Å; L509-L515 HydrophobicContact CD2-CG 4.22Å; L509-L515 HydrophobicContact CG-CD1 4.23Å; L509-L515 HydrophobicContact CG-CG 4.46Å; L509-L526 HydrophobicContact CD2-CD2 3.98Å; L509-W531 HydrophobicContact CB-CH2 3.74Å; L509-W531 HydrophobicContact CB-CZ3 3.6Å; L509-W531 HydrophobicContact CD2-CH2 4.11Å; L509-L540 HydrophobicContact CB-CD2 4.49Å
510	P	86.2	Confident	86.5	Confident	45 Å²	45	44 Å²	44	29%	0.292	24%	0.24	S	C	.	.			trans	-65	139	179.5	27.8	-34.5	0	0	0	110.1	V514	P510-V514 HydrophobicContact CG-CG2 4.03Å
511	V	84.6	Confident	85.4	Confident	31 Å²	31	49.9 Å²	49.9	19%	0.188	26%	0.264	C	S	.	.	I	π-helix	trans	-77.5	-47.2	171.6	169.9	0	0	0	0	110.4	G513 V514 L515 D516 G539 W543	V511-G513 PolarHBondContact O-N 3.42Å; V511-V514 PolarHBondContact O-N 2.86Å; V511-L515 HydrophobicContact CB-CB 4.47Å; V511-L515 HydrophobicContact CG1-CB 4.31Å; V511-L515 HydrophobicContact CG2-CB 4.43Å; V511-L515 HydrophobicContact CG2-CD1 3.95Å; V511-L515 PolarHBondContact O-N 2.82Å; V511-D516 VanDerWaalsContact O-CG 3.32Å; V511-D516 PolarHBondContact O-N 3.33Å; V511-G539 VanDerWaalsContact CG2-C 3.43Å; V511-G539 WeakPolarHBondContact CG2-O 3.26Å; V511-W543 HydrophobicContact CG1-CB 4.3Å; V511-W543 HydrophobicContact CG1-CG 4.3Å; V511-W543 HydrophobicContact CG2-CB 3.57Å; V511-W543 HydrophobicContact CG2-CG 4.01Å
512	K	83.3	Confident	84.8	Confident	176 Å²	176	50 Å²	50	77%	0.765	27%	0.265	S	S	*	.	I	π-helix	trans	-65.9	127.2	179.4	-176.5	-179	176.8	-175.7	0	110.4	V514 D516	K512-V514 VanDerWaalsContact C-N 3.3Å; K512-D516 WeakPolarHBondContact CA-OD2 3.41Å
513	G	80.4	Confident	84.4	Confident	8 Å²	8	51.3 Å²	51.3	8%	0.082	27%	0.273	C	S	.	.	I	π-helix	trans	78.1	2.4	-178.3	0	0	0	0	0	115.4	N489 V511 D516 Q517	N489-G513 WeakPolarHBondContact CA-O 3.46Å; N489-G513 PolarHBondContact N-O 3.08Å; V511-G513 PolarHBondContact O-N 3.42Å; G513-D516 WeakPolarHBondContact CA-OD1 3.39Å; G513-D516 PolarHBondContact N-OD1 3.41Å; G513-D516 PolarHBondContact N-OD2 2.95Å; G513-Q517 PolarHBondContact O-OE1 2.85Å
514	V	86.6	Confident	84.4	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	I	π-helix	trans	-140	-65.6	-179.6	-177.3	0	0	0	0	111.8	L486 I490 F491 L509 P510 V511 K512 D516	L486-V514 HydrophobicContact CB-CG1 4.25Å; L486-V514 HydrophobicContact CB-CG2 4.49Å; L486-V514 HydrophobicContact CD1-CG1 3.97Å; I490-V514 HydrophobicContact CG2-CG1 4.2Å; I490-V514 HydrophobicContact CG2-CG2 4.48Å; F491-V514 HydrophobicContact CD2-CG1 4.04Å; F491-V514 HydrophobicContact CE2-CG1 3.81Å; L509-V514 HydrophobicContact CD1-CG1 4.34Å; P510-V514 HydrophobicContact CG-CG2 4.03Å; V511-V514 PolarHBondContact O-N 2.86Å; K512-V514 VanDerWaalsContact C-N 3.3Å; V514-D516 PolarHBondContact N-OD1 3.26Å
515	L	85.1	Confident	83.9	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	26%	0.257	C	S	.	.	I	π-helix	trans	-84.2	-21.8	-178.1	-61.6	173.9	0	0	0	113.2	L509 V511 Q517 L518 I524 L540 W543	L509-L515 HydrophobicContact CD2-CD1 3.94Å; L509-L515 HydrophobicContact CD2-CD2 4.08Å; L509-L515 HydrophobicContact CD2-CG 4.22Å; L509-L515 HydrophobicContact CG-CD1 4.23Å; L509-L515 HydrophobicContact CG-CG 4.46Å; V511-L515 HydrophobicContact CB-CB 4.47Å; V511-L515 HydrophobicContact CG1-CB 4.31Å; V511-L515 HydrophobicContact CG2-CB 4.43Å; V511-L515 HydrophobicContact CG2-CD1 3.95Å; V511-L515 PolarHBondContact O-N 2.82Å; L515-Q517 PolarHBondContact O-N 2.67Å; L515-L518 HydrophobicContact CD2-CD1 3.7Å; L515-L518 PolarHBondContact O-N 2.02Å; L515-I524 HydrophobicContact CD2-CD1 3.75Å; L515-L540 HydrophobicContact CD1-CD1 3.51Å; L515-W543 HydrophobicContact CB-CD2 4.46Å; L515-W543 HydrophobicContact CB-CZ2 4.49Å; L515-W543 HydrophobicContact CD1-CD2 4.14Å; L515-W543 HydrophobicContact CD1-CE3 4.24Å
516	D	83.2	Confident	83.6	Confident	92 Å²	92	43.9 Å²	43.9	49%	0.492	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-16.9	170.5	63.4	-10.8	0	0	0	113.5	V511 K512 G513 V514	V511-D516 VanDerWaalsContact O-CG 3.32Å; V511-D516 PolarHBondContact O-N 3.33Å; K512-D516 WeakPolarHBondContact CA-OD2 3.41Å; G513-D516 WeakPolarHBondContact CA-OD1 3.39Å; G513-D516 PolarHBondContact N-OD1 3.41Å; G513-D516 PolarHBondContact N-OD2 2.95Å; V514-D516 PolarHBondContact N-OD1 3.26Å
517	Q	82.1	Confident	83.3	Confident	53 Å²	53	45.2 Å²	45.2	25%	0.248	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-21.1	177.4	-44.1	-154.6	-57.8	0	0	113.1	N489 F491 G513 L515	N489-Q517 VanDerWaalsContact C-OE1 3.26Å; N489-Q517 VanDerWaalsContact CA-OE1 3.28Å; N489-Q517 PolarHBondContact OD1-NE2 2.9Å; F491-Q517 HydrophobicContact CB-CB 4.31Å; F491-Q517 VanDerWaalsContact N-OE1 3.09Å; G513-Q517 PolarHBondContact O-OE1 2.85Å; L515-Q517 PolarHBondContact O-N 2.67Å
518	L	83.1	Confident	83.1	Confident	17 Å²	17	46.6 Å²	46.6	9%	0.089	24%	0.244	C	C	.	.	S	Bend	trans	-79.8	140.4	-174.6	-60.7	174.5	0	0	0	110.5	F491 L496 L499 L515 I522 I524	F491-L518 HydrophobicContact CB-CD2 4.01Å; F491-L518 HydrophobicContact CD2-CD2 3.74Å; F491-L518 HydrophobicContact CD2-CG 4.25Å; F491-L518 HydrophobicContact CE2-CD2 4.42Å; F491-L518 HydrophobicContact CG-CD2 3.93Å; L496-L518 HydrophobicContact CB-CD2 4.36Å; L496-L518 HydrophobicContact CD1-CD2 4.03Å; L499-L518 HydrophobicContact CD2-CD1 4.05Å; L515-L518 HydrophobicContact CD2-CD1 3.7Å; L515-L518 PolarHBondContact O-N 2.02Å; L518-I522 HydrophobicContact CB-CB 4.3Å; L518-I522 HydrophobicContact CB-CG1 4.34Å; L518-I522 HydrophobicContact CB-CG2 4.07Å; L518-I522 HydrophobicContact CD1-CG1 4.33Å; L518-I522 HydrophobicContact CD2-CD1 4.28Å; L518-I524 HydrophobicContact CD1-CD1 4.36Å
519	P	76.9	Confident	83.2	Confident	38 Å²	38	42.8 Å²	42.8	25%	0.247	23%	0.227	C	C	.	.			trans	-67	147.6	179.9	27.5	-33.8	0	0	0	111.1	L496 F521 I522	L496-P519 WeakPolarHBondContact O-CD 3.4Å; L496-P519 WeakPolarHBondContact O-CG 3Å; P519-F521 HydrophobicContact CB-CD1 4.15Å; P519-F521 HydrophobicContact CB-CE1 3.74Å; P519-F521 HydrophobicContact CB-CE2 4.33Å; P519-F521 HydrophobicContact CB-CZ 3.83Å; P519-F521 HydrophobicContact CG-CE1 4.45Å; P519-F521 HydrophobicContact CG-CE2 4.19Å; P519-F521 HydrophobicContact CG-CZ 4.08Å; P519-F521 PolarHBondContact O-N 3.14Å; P519-I522 HydrophobicContact CG-CB 4.49Å; P519-I522 VanDerWaalsContact O-CB 3.3Å; P519-I522 WeakPolarHBondContact O-CB 3.49Å; P519-I522 VanDerWaalsContact O-CG2 3.27Å; P519-I522 WeakPolarHBondContact O-CG2 3.29Å; P519-I522 PolarHBondContact O-N 3.05Å
520	A	68	Low	83.3	Confident	93 Å²	93	44 Å²	44	77%	0.769	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	4.8	-174.7	0	0	0	0	0	116.3
521	F	67	Low	83.7	Confident	146 Å²	146	41.9 Å²	41.9	64%	0.64	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120	8.5	173.7	60.4	-98.6	0	0	0	113.1	T497 P519	T497-F521 HydrophobicContact CG2-CE2 4.32Å; P519-F521 HydrophobicContact CB-CD1 4.15Å; P519-F521 HydrophobicContact CB-CE1 3.74Å; P519-F521 HydrophobicContact CB-CE2 4.33Å; P519-F521 HydrophobicContact CB-CZ 3.83Å; P519-F521 HydrophobicContact CG-CE1 4.45Å; P519-F521 HydrophobicContact CG-CE2 4.19Å; P519-F521 HydrophobicContact CG-CZ 4.08Å; P519-F521 PolarHBondContact O-N 3.14Å
522	I	81	Confident	84	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.01	22%	0.222	C	C	.	.			trans	-52.3	139.1	171.5	-170.6	78.5	0	0	0	110.1	L496 T497 L499 L518 P519 V551	L496-I522 HydrophobicContact CB-CD1 3.7Å; L496-I522 WeakPolarHBondContact O-CD1 3.41Å; T497-I522 WeakPolarHBondContact O-CA 3.42Å; L499-I522 HydrophobicContact CB-CD1 4.45Å; L518-I522 HydrophobicContact CB-CB 4.3Å; L518-I522 HydrophobicContact CB-CG1 4.34Å; L518-I522 HydrophobicContact CB-CG2 4.07Å; L518-I522 HydrophobicContact CD1-CG1 4.33Å; L518-I522 HydrophobicContact CD2-CD1 4.28Å; P519-I522 HydrophobicContact CG-CB 4.49Å; P519-I522 VanDerWaalsContact O-CB 3.3Å; P519-I522 WeakPolarHBondContact O-CB 3.49Å; P519-I522 VanDerWaalsContact O-CG2 3.27Å; P519-I522 WeakPolarHBondContact O-CG2 3.29Å; P519-I522 PolarHBondContact O-N 3.05Å; I522-V551 HydrophobicContact CG2-CG1 3.88Å; I522-V551 VanDerWaalsContact O-CA 3.24Å; I522-V551 WeakPolarHBondContact O-CA 3.36Å; I522-V551 WeakPolarHBondContact O-CG1 3.34Å
523	Q	82.1	Confident	84.3	Confident	70 Å²	70	33.9 Å²	33.9	33%	0.327	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	115.3	163.1	-61.7	-178.2	-21.2	0	0	109.2	T497 R498 L499 V551 I553	T497-Q523 PolarHBondContact O-N 3.39Å; R498-Q523 CarbonylContact C-O 3.55Å; R498-Q523 WeakPolarHBondContact CA-O 3.38Å; R498-Q523 HydrophobicContact CB-CB 3.93Å; R498-Q523 HydrophobicContact CG-CB 3.85Å; R498-Q523 WeakPolarHBondContact CG-O 3.02Å; L499-Q523 PolarHBondContact N-O 3.05Å; Q523-V551 CarbonylContact C-O 2.98Å; Q523-V551 WeakPolarHBondContact CA-O 3.24Å; Q523-I553 HydrophobicContact CB-CD1 4.07Å; Q523-I553 HydrophobicContact CB-CG1 4.14Å
524	I	88.3	Confident	84.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.7	176.4	-156	169.2	0	0	0	111.5	L499 L501 L515 L518 L526 W543 V551 I552 I553	L499-I524 HydrophobicContact CB-CG1 4.31Å; L499-I524 HydrophobicContact CD2-CD1 3.95Å; L499-I524 HydrophobicContact CD2-CG1 4.32Å; L499-I524 HydrophobicContact CG-CD1 4.43Å; L499-I524 HydrophobicContact CG-CG1 4.28Å; L499-I524 WeakPolarHBondContact O-CA 2.99Å; L501-I524 HydrophobicContact CD1-CD1 4.44Å; L515-I524 HydrophobicContact CD2-CD1 3.75Å; L518-I524 HydrophobicContact CD1-CD1 4.36Å; I524-L526 HydrophobicContact CD1-CD1 4.37Å; I524-L526 HydrophobicContact CD1-CD2 3.81Å; I524-L526 HydrophobicContact CD1-CG 4.12Å; I524-L526 HydrophobicContact CG1-CD2 4.06Å; I524-L526 HydrophobicContact CG1-CG 4.08Å; I524-L526 HydrophobicContact CG2-CD1 4.28Å; I524-L526 HydrophobicContact CG2-CG 4.23Å; I524-W543 HydrophobicContact CG2-CH2 3.81Å; I524-W543 HydrophobicContact CG2-CZ3 4.24Å; I524-V551 PolarHBondContact N-O 3.25Å; I524-I552 HydrophobicContact CG2-CG1 4.06Å; I524-I553 PolarHBondContact O-N 3.43Å
525	D	85.2	Confident	84.7	Confident	11 Å²	11	38.3 Å²	38.3	6%	0.059	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.4	165.8	-164.9	-5	0	0	0	109.8	L499 L501 R502 Q527 I553 N554	L499-D525 PolarHBondContact O-N 3.12Å; L499-D525 VanDerWaalsContact O-N 3.11Å; L501-D525 WeakPolarHBondContact CA-O 3.17Å; L501-D525 PolarHBondContact N-O 2.93Å; R502-D525 HydrophobicContact CB-CB 4.47Å; R502-D525 PolarHBondContact N-O 2.85Å; D525-Q527 WeakPolarHBondContact OD1-CB 3.47Å; D525-Q527 PolarHBondContact OD1-N 3.1Å; D525-Q527 VanDerWaalsContact OD1-N 3.16Å; D525-I553 HydrophobicContact CB-CB 4.41Å; D525-I553 HydrophobicContact CB-CD1 4.36Å; D525-N554 PolarHBondContact OD1-ND2 3.37Å; D525-N554 PolarHBondContact OD2-ND2 3.14Å
526	L	89.9	Confident	84.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.246	C	C	.	.			trans	-124.5	5.9	-173.8	-67.3	178.4	0	0	0	112.1	L501 L509 I524 N529 W531 L540 V556	L501-L526 HydrophobicContact CB-CD2 4.23Å; L501-L526 HydrophobicContact CD1-CD2 3.95Å; L509-L526 HydrophobicContact CD2-CD2 3.98Å; I524-L526 HydrophobicContact CD1-CD1 4.37Å; I524-L526 HydrophobicContact CD1-CD2 3.81Å; I524-L526 HydrophobicContact CD1-CG 4.12Å; I524-L526 HydrophobicContact CG1-CD2 4.06Å; I524-L526 HydrophobicContact CG1-CG 4.08Å; I524-L526 HydrophobicContact CG2-CD1 4.28Å; I524-L526 HydrophobicContact CG2-CG 4.23Å; L526-N529 PolarHBondContact O-ND2 2.04Å; L526-W531 HydrophobicContact CB-CZ2 4.01Å; L526-W531 HydrophobicContact CD2-CH2 4.35Å; L526-W531 HydrophobicContact CD2-CZ2 4.07Å; L526-W531 HydrophobicContact CG-CZ2 4.45Å; L526-W531 PolarHBondContact O-NE1 3.4Å; L526-L540 HydrophobicContact CD1-CD1 4.35Å; L526-V556 HydrophobicContact CB-CG2 3.9Å; L526-V556 HydrophobicContact CD1-CG2 3.91Å
527	Q	86.3	Confident	84.9	Confident	28 Å²	28	40.2 Å²	40.2	13%	0.131	22%	0.223	C	C	.	.			trans	-63.9	162.5	-175.7	-152.4	-167.4	-68.8	0	0	112	R502 N503 D525 N529 N554	R502-Q527 VanDerWaalsContact CA-O 3.27Å; R502-Q527 WeakPolarHBondContact CA-O 3.46Å; R502-Q527 HydrophobicContact CG-CB 4.16Å; N503-Q527 PolarHBondContact N-O 3.1Å; N503-Q527 VanDerWaalsContact N-O 3.09Å; D525-Q527 WeakPolarHBondContact OD1-CB 3.47Å; D525-Q527 PolarHBondContact OD1-N 3.1Å; D525-Q527 VanDerWaalsContact OD1-N 3.16Å; Q527-N529 VanDerWaalsContact C-N 3.34Å; Q527-N529 PolarHBondContact O-N 2.9Å; Q527-N529 PolarHBondContact O-ND2 3.39Å; Q527-N529 VanDerWaalsContact O-ND2 3.09Å; Q527-N554 HydrophobicContact CB-CB 3.98Å; Q527-N554 HydrophobicContact CG-CB 4.13Å; Q527-N554 VanDerWaalsContact OE1-CB 3.24Å; Q527-N554 PolarHBondContact OE1-ND2 3.35Å
528	E	86.3	Confident	85.1	Confident	75 Å²	75	39.4 Å²	39.4	35%	0.35	22%	0.22	S	C	.	.	S	Bend	trans	56.3	45.1	172.6	-64.6	164.1	-175.5	0	0	112.4	R502 N503	R502-E528 HydrophobicContact CG-CB 4.36Å; R502-E528 IonicContact CZ-OE1 3.48Å; R502-E528 IonicContact CZ-OE2 3.65Å; R502-E528 VanDerWaalsContact CZ-OE2 3.25Å; R502-E528 VanDerWaalsContact NE-CD 3.28Å; R502-E528 IonicContact NE-OE1 3.07Å; R502-E528 PolarHBondContact NE-OE1 3.35Å; R502-E528 IonicContact NE-OE2 3.37Å; R502-E528 PolarHBondContact NE-OE2 3.43Å; R502-E528 VanDerWaalsContact NH2-CD 3.3Å; R502-E528 IonicContact NH2-OE1 3.81Å; R502-E528 PolarHBondContact NH2-OE1 3.47Å; R502-E528 IonicContact NH2-OE2 2.85Å; R502-E528 PolarHBondContact NH2-OE2 2.68Å; N503-E528 WeakPolarHBondContact CA-O 3.3Å; N503-E528 HydrophobicContact CB-CB 4.19Å; N503-E528 PolarHBondContact N-O 3.1Å
529	N	92.3	Very high	85.2	Confident	5 Å²	5	40.4 Å²	40.4	3%	0.027	23%	0.234	C	C	.	.			trans	-125.6	145.7	174.7	-87.6	-84.9	0	0	0	109.4	L501 N504 H505 F506 L526 Q527 W531	L501-N529 PolarHBondContact O-ND2 3.31Å; N504-N529 VanDerWaalsContact CA-OD1 3.26Å; N504-N529 WeakPolarHBondContact CA-OD1 3.45Å; N504-N529 WeakPolarHBondContact CB-OD1 3.45Å; N504-N529 PolarHBondContact N-OD1 2.89Å; N504-N529 PolarHBondContact O-OD1 2.82Å; N504-N529 VanDerWaalsContact O-OD1 3.09Å; H505-N529 PolarHBondContact N-OD1 2.64Å; F506-N529 HydrophobicContact CB-CB 4.36Å; F506-N529 VanDerWaalsContact CD2-OD1 3.24Å; F506-N529 WeakPolarHBondContact CD2-OD1 3.19Å; F506-N529 PolarHBondContact N-OD1 2.72Å; F506-N529 VanDerWaalsContact N-OD1 3.13Å; L526-N529 PolarHBondContact O-ND2 2.04Å; Q527-N529 VanDerWaalsContact C-N 3.34Å; Q527-N529 PolarHBondContact O-N 2.9Å; Q527-N529 PolarHBondContact O-ND2 3.39Å; Q527-N529 VanDerWaalsContact O-ND2 3.09Å; N529-W531 HydrophobicContact CB-CD2 4.29Å; N529-W531 HydrophobicContact CB-CG 4.45Å; N529-W531 HydrophobicContact CB-CZ2 3.89Å; N529-W531 PolarHBondContact O-N 3.23Å
530	P	92.3	Very high	85.8	Confident	31 Å²	31	38.7 Å²	38.7	20%	0.201	22%	0.223	C	C	.	.			trans	-80	57.3	-173.1	35	-39.1	0	0	0	112.5	N504 H505 F506 S507 D532 E559	N504-P530 WeakPolarHBondContact O-CD 3.5Å; H505-P530 HydrophobicContact CB-CG 4.47Å; F506-P530 CarbonylContact O-C 3.43Å; F506-P530 WeakPolarHBondContact O-CD 3.43Å; S507-P530 WeakPolarHBondContact CA-O 3.48Å; P530-D532 PolarHBondContact O-N 3.19Å; P530-E559 WeakPolarHBondContact CA-OE2 3.17Å; P530-E559 HydrophobicContact CB-CB 4.39Å; P530-E559 WeakPolarHBondContact CB-OE2 3.3Å
531	W	93.3	Very high	86.7	Confident	1 Å²	1	34.5 Å²	34.5	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	125.7	-173.5	-64	108.3	0	0	0	112.1	F506 S507 L509 L526 N529 I537 L540 V556 T557 E559 S560	F506-W531 HydrophobicContact CB-CE3 4.42Å; F506-W531 HydrophobicContact CB-CH2 3.62Å; F506-W531 HydrophobicContact CB-CZ2 4.15Å; F506-W531 HydrophobicContact CB-CZ3 3.78Å; F506-W531 HydrophobicContact CG-CH2 4.26Å; S507-W531 CarbonylContact O-C 3.59Å; S507-W531 WeakPolarHBondContact O-CA 3.18Å; L509-W531 HydrophobicContact CB-CH2 3.74Å; L509-W531 HydrophobicContact CB-CZ3 3.6Å; L509-W531 HydrophobicContact CD2-CH2 4.11Å; L526-W531 HydrophobicContact CB-CZ2 4.01Å; L526-W531 HydrophobicContact CD2-CH2 4.35Å; L526-W531 HydrophobicContact CD2-CZ2 4.07Å; L526-W531 HydrophobicContact CG-CZ2 4.45Å; L526-W531 PolarHBondContact O-NE1 3.4Å; N529-W531 HydrophobicContact CB-CD2 4.29Å; N529-W531 HydrophobicContact CB-CG 4.45Å; N529-W531 HydrophobicContact CB-CZ2 3.89Å; N529-W531 PolarHBondContact O-N 3.23Å; W531-I537 HydrophobicContact CB-CD1 4.08Å; W531-I537 HydrophobicContact CE3-CD1 4.19Å; W531-L540 HydrophobicContact CD2-CD2 4.45Å; W531-L540 HydrophobicContact CE3-CD2 3.91Å; W531-L540 HydrophobicContact CH2-CD2 4.16Å; W531-L540 HydrophobicContact CZ3-CD2 3.75Å; W531-V556 HydrophobicContact CD2-CG1 4.17Å; W531-V556 HydrophobicContact CG-CG1 3.99Å; W531-T557 VanDerWaalsContact CD1-O 3.27Å; W531-E559 PolarHBondContact O-N 2.59Å; W531-S560 PolarHBondContact O-N 3.18Å
532	D	90.8	Very high	87.6	Confident	38 Å²	38	29.7 Å²	29.7	20%	0.203	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	101.7	175.5	-176.4	55.7	0	0	0	110.4	S507 P530 T534 S560	S507-D532 PolarHBondContact O-N 3.25Å; P530-D532 PolarHBondContact O-N 3.19Å; D532-T534 PolarHBondContact O-N 2.97Å; D532-T534 WeakPolarHBondContact OD2-CB 3.5Å; D532-T534 WeakPolarHBondContact OD2-CG2 3.4Å; D532-T534 PolarHBondContact OD2-OG1 2.88Å; D532-S560 CarbonylContact C-O 3.52Å; D532-S560 WeakPolarHBondContact CA-O 3.49Å; D532-S560 WeakPolarHBondContact OD1-CB 3.36Å; D532-S560 PolarHBondContact OD1-OG 3.11Å
533	C	89.9	Confident	87.9	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.007	18%	0.176	C	C	.	.			trans	-85.3	57.8	-177.4	-63.4	0	0	0	0	112	I537 C558 S560 P561	C533-I537 HydrophobicContact CB-CG2 4.2Å; C533-C558 HydrophobicContact CB-CB 3.79Å; C533-C558 WeakPolarHBondContact CB-SG 3.36Å; C533-C558 WeakPolarHBondContact SG-CB 3.47Å; C533-C558 CovalentContact SG-SG 2.02Å; C533-C558 PolarHBondContact SG-SG 2.89Å; C533-S560 PolarHBondContact N-O 2.87Å; C533-P561 WeakPolarHBondContact O-CD 3.13Å
534	T	88.3	Confident	88	Confident	43 Å²	43	28.5 Å²	28.5	26%	0.264	16%	0.161	S	C	.	.	S	Bend	trans	-98	-179.6	165	57	0	0	0	0	110.3	D532 D536 I537 P561 I577	D532-T534 PolarHBondContact O-N 2.97Å; D532-T534 WeakPolarHBondContact OD2-CB 3.5Å; D532-T534 WeakPolarHBondContact OD2-CG2 3.4Å; D532-T534 PolarHBondContact OD2-OG1 2.88Å; T534-D536 PolarHBondContact O-N 3.08Å; T534-I537 WeakPolarHBondContact O-CG2 3.48Å; T534-I537 PolarHBondContact O-N 3.03Å; T534-P561 HydrophobicContact CG2-CG 4.3Å; T534-I577 WeakPolarHBondContact O-CG2 3.23Å
535	C	86.8	Confident	87.7	Confident	58 Å²	58	32.1 Å²	32.1	39%	0.392	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-46.5	-32.3	-179.6	-67.8	0	0	0	0	114.5	I537 M538 C578	C535-I537 VanDerWaalsContact C-N 3.27Å; C535-I537 PolarHBondContact O-N 2.66Å; C535-M538 WeakPolarHBondContact O-CB 3.16Å; C535-M538 WeakPolarHBondContact O-CG 2.99Å; C535-M538 PolarHBondContact O-N 3.01Å; C535-C578 HydrophobicContact CB-CB 3.9Å; C535-C578 WeakPolarHBondContact CB-SG 3.04Å; C535-C578 WeakPolarHBondContact SG-CA 3.33Å; C535-C578 WeakPolarHBondContact SG-CB 3.39Å; C535-C578 CovalentContact SG-SG 2.05Å; C535-C578 PolarHBondContact SG-SG 2.94Å
536	D	84.9	Confident	87.5	Confident	132 Å²	132	39 Å²	39	71%	0.706	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-67.2	-23.3	-177	-64.1	-31.9	0	0	0	113.5	T534 M538	T534-D536 PolarHBondContact O-N 3.08Å; D536-M538 VanDerWaalsContact C-N 3.27Å; D536-M538 PolarHBondContact O-N 3.2Å
537	I	88.7	Confident	86.7	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-78.9	-6.6	177.3	-146.4	163.1	0	0	0	113.5	W531 C533 T534 C535 G539 L540 K541 L569 I577	W531-I537 HydrophobicContact CB-CD1 4.08Å; W531-I537 HydrophobicContact CE3-CD1 4.19Å; C533-I537 HydrophobicContact CB-CG2 4.2Å; T534-I537 WeakPolarHBondContact O-CG2 3.48Å; T534-I537 PolarHBondContact O-N 3.03Å; C535-I537 VanDerWaalsContact C-N 3.27Å; C535-I537 PolarHBondContact O-N 2.66Å; I537-G539 PolarHBondContact O-N 3.19Å; I537-G539 VanDerWaalsContact O-N 3.14Å; I537-L540 HydrophobicContact CD1-CD2 4.19Å; I537-L540 HydrophobicContact CG1-CB 4Å; I537-L540 HydrophobicContact CG1-CD2 4.02Å; I537-L540 PolarHBondContact O-N 2.81Å; I537-K541 PolarHBondContact O-N 3.05Å; I537-L569 HydrophobicContact CB-CD1 4.49Å; I537-L569 HydrophobicContact CD1-CD1 4.08Å; I537-L569 HydrophobicContact CD1-CD2 3.92Å; I537-L569 HydrophobicContact CG1-CD1 4.14Å; I537-L569 HydrophobicContact CG1-CD2 3.96Å; I537-L569 HydrophobicContact CG2-CD1 3.55Å; I537-I577 HydrophobicContact CG2-CD1 4.38Å; I537-I577 HydrophobicContact CG2-CG2 4.19Å
538	M	85.9	Confident	85.7	Confident	36 Å²	36	43.9 Å²	43.9	18%	0.177	24%	0.238	C	C	.	.	H	α-helix	trans	-56.4	-35.7	-172.3	-71.9	-83.6	79.7	0	0	113.4	C535 D536 K541 D542 R574 I577 C578	C535-M538 WeakPolarHBondContact O-CB 3.16Å; C535-M538 WeakPolarHBondContact O-CG 2.99Å; C535-M538 PolarHBondContact O-N 3.01Å; D536-M538 VanDerWaalsContact C-N 3.27Å; D536-M538 PolarHBondContact O-N 3.2Å; M538-K541 HydrophobicContact CE-CB 4.14Å; M538-K541 HydrophobicContact CE-CD 3.42Å; M538-K541 VanDerWaalsContact CE-CD 3.42Å; M538-K541 HydrophobicContact CE-CG 4.4Å; M538-K541 PolarHBondContact O-N 2.95Å; M538-D542 PolarHBondContact O-N 2.68Å; M538-R574 HydrophobicContact CE-CG 4.44Å; M538-R574 HydrophobicContact SD-CB 4.3Å; M538-R574 HydrophobicContact SD-CG 4.19Å; M538-I577 HydrophobicContact CE-CB 3.66Å; M538-I577 HydrophobicContact CE-CD1 3.52Å; M538-I577 HydrophobicContact CE-CG1 4.18Å; M538-I577 HydrophobicContact CE-CG2 3.64Å; M538-I577 HydrophobicContact CG-CG2 4.4Å; M538-I577 HydrophobicContact SD-CB 4.42Å; M538-I577 HydrophobicContact SD-CG2 4.3Å; M538-C578 HydrophobicContact CG-CB 4.36Å; M538-C578 HydrophobicContact SD-CB 4.24Å
539	G	85.7	Confident	84.3	Confident	38 Å²	38	45.3 Å²	45.3	39%	0.392	26%	0.257	S	S	.	.	H	α-helix	trans	-60.1	-51.4	173	0	0	0	0	0	112.2	V511 I537 K541 D542 W543	V511-G539 VanDerWaalsContact CG2-C 3.43Å; V511-G539 WeakPolarHBondContact CG2-O 3.26Å; I537-G539 PolarHBondContact O-N 3.19Å; I537-G539 VanDerWaalsContact O-N 3.14Å; G539-K541 VanDerWaalsContact C-N 3.33Å; G539-K541 PolarHBondContact O-N 3.29Å; G539-D542 PolarHBondContact O-N 3.48Å; G539-W543 PolarHBondContact O-N 3.01Å
540	L	88.2	Confident	82.8	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-61.8	-40.6	178.6	-177.8	65.5	0	0	0	111.2	L509 L515 L526 W531 I537 W543 T544 V556 L569	L509-L540 HydrophobicContact CB-CD2 4.49Å; L515-L540 HydrophobicContact CD1-CD1 3.51Å; L526-L540 HydrophobicContact CD1-CD1 4.35Å; W531-L540 HydrophobicContact CD2-CD2 4.45Å; W531-L540 HydrophobicContact CE3-CD2 3.91Å; W531-L540 HydrophobicContact CH2-CD2 4.16Å; W531-L540 HydrophobicContact CZ3-CD2 3.75Å; I537-L540 HydrophobicContact CD1-CD2 4.19Å; I537-L540 HydrophobicContact CG1-CB 4Å; I537-L540 HydrophobicContact CG1-CD2 4.02Å; I537-L540 PolarHBondContact O-N 2.81Å; L540-W543 HydrophobicContact CD1-CE3 4.24Å; L540-W543 PolarHBondContact O-N 3Å; L540-T544 HydrophobicContact CD1-CG2 4.34Å; L540-T544 HydrophobicContact CG-CG2 4.39Å; L540-T544 WeakPolarHBondContact O-CG2 3.23Å; L540-T544 PolarHBondContact O-N 2.69Å; L540-T544 PolarHBondContact O-OG1 3.24Å; L540-V556 HydrophobicContact CD2-CG1 4.45Å; L540-L569 HydrophobicContact CB-CD2 4.17Å; L540-L569 HydrophobicContact CD2-CD2 3.81Å; L540-L569 HydrophobicContact CG-CD2 3.72Å
541	K	87.5	Confident	81.8	Confident	5 Å²	5	48.8 Å²	48.8	2%	0.022	28%	0.28	C	S	.	.	H	α-helix	trans	-54	-58.7	174.2	-178.8	-169.8	171.4	-74.6	0	110.9	I537 M538 G539 W543 T544 E545 L569 L572 R574 I577	I537-K541 PolarHBondContact O-N 3.05Å; M538-K541 HydrophobicContact CE-CB 4.14Å; M538-K541 HydrophobicContact CE-CD 3.42Å; M538-K541 VanDerWaalsContact CE-CD 3.42Å; M538-K541 HydrophobicContact CE-CG 4.4Å; M538-K541 PolarHBondContact O-N 2.95Å; G539-K541 VanDerWaalsContact C-N 3.33Å; G539-K541 PolarHBondContact O-N 3.29Å; K541-W543 PolarHBondContact O-N 3.07Å; K541-T544 PolarHBondContact O-N 2.88Å; K541-T544 PolarHBondContact O-OG1 3.49Å; K541-E545 IonicContact NZ-OE1 2.86Å; K541-E545 PolarHBondContact NZ-OE1 2.87Å; K541-E545 IonicContact NZ-OE2 3.76Å; K541-E545 PolarHBondContact NZ-OE2 2.84Å; K541-E545 PolarHBondContact O-N 3.41Å; K541-L569 HydrophobicContact CB-CD1 3.85Å; K541-L569 HydrophobicContact CB-CD2 4.42Å; K541-L569 HydrophobicContact CB-CG 3.98Å; K541-L569 HydrophobicContact CG-CD1 4.31Å; K541-L569 HydrophobicContact CG-CG 4.35Å; K541-L572 WeakPolarHBondContact CE-O 3.48Å; K541-R574 HydrophobicContact CD-CG 4.38Å; K541-I577 HydrophobicContact CD-CD1 4.18Å
542	D	86.6	Confident	80.9	Confident	45 Å²	45	49.8 Å²	49.8	24%	0.241	29%	0.285	C	S	.	.	H	α-helix	trans	-58.4	-38.7	-177.2	-77.4	2.3	0	0	0	110.9	M538 G539 E545 H546 R574	M538-D542 PolarHBondContact O-N 2.68Å; G539-D542 PolarHBondContact O-N 3.48Å; D542-E545 PolarHBondContact O-N 3.04Å; D542-H546 PolarHBondContact O-N 2.96Å; D542-H546 VanDerWaalsContact O-N 3.16Å; D542-H546 PolarHBondContact O-ND1 3.39Å; D542-R574 IonicContact OD1-CZ 2.69Å; D542-R574 IonicContact OD1-NE 3.54Å; D542-R574 PolarHBondContact OD1-NE 3.35Å; D542-R574 IonicContact OD1-NH2 2.72Å; D542-R574 PolarHBondContact OD1-NH2 3.46Å; D542-R574 IonicContact OD2-CZ 2.67Å; D542-R574 IonicContact OD2-NE 2.76Å; D542-R574 IonicContact OD2-NH2 2.64Å; D542-R574 PolarHBondContact OD2-NH2 3.46Å
543	W	87	Confident	79.6	Confident	44 Å²	44	51.1 Å²	51.1	17%	0.167	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-44.6	173.1	-176.4	95.1	0	0	0	112.4	V511 L515 I524 G539 L540 K541 E545 H546 A547 V551 I552	V511-W543 HydrophobicContact CG1-CB 4.3Å; V511-W543 HydrophobicContact CG1-CG 4.3Å; V511-W543 HydrophobicContact CG2-CB 3.57Å; V511-W543 HydrophobicContact CG2-CG 4.01Å; L515-W543 HydrophobicContact CB-CD2 4.46Å; L515-W543 HydrophobicContact CB-CZ2 4.49Å; L515-W543 HydrophobicContact CD1-CD2 4.14Å; L515-W543 HydrophobicContact CD1-CE3 4.24Å; I524-W543 HydrophobicContact CG2-CH2 3.81Å; I524-W543 HydrophobicContact CG2-CZ3 4.24Å; G539-W543 PolarHBondContact O-N 3.01Å; L540-W543 HydrophobicContact CD1-CE3 4.24Å; L540-W543 PolarHBondContact O-N 3Å; K541-W543 PolarHBondContact O-N 3.07Å; W543-E545 VanDerWaalsContact C-N 3.28Å; W543-E545 PolarHBondContact O-N 2.76Å; W543-H546 PolarHBondContact O-N 2.78Å; W543-A547 HydrophobicContact CE3-CB 4.48Å; W543-A547 HydrophobicContact CZ3-CB 4.41Å; W543-A547 VanDerWaalsContact O-CB 3.24Å; W543-A547 WeakPolarHBondContact O-CB 3.13Å; W543-A547 PolarHBondContact O-N 3.08Å; W543-V551 HydrophobicContact CH2-CG1 4.03Å; W543-V551 HydrophobicContact CZ2-CG1 4.25Å; W543-I552 HydrophobicContact CE3-CD1 4.34Å; W543-I552 HydrophobicContact CH2-CD1 4.45Å; W543-I552 HydrophobicContact CH2-CG1 4.17Å; W543-I552 HydrophobicContact CZ3-CD1 3.7Å; W543-I552 HydrophobicContact CZ3-CG1 3.85Å
544	T	84.3	Confident	78.7	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.018	29%	0.294	C	S	.	.	H	α-helix	trans	-66	-26.7	176.6	62.8	0	0	0	0	113.5	L540 K541 I552 V556 L569 K570	L540-T544 HydrophobicContact CD1-CG2 4.34Å; L540-T544 HydrophobicContact CG-CG2 4.39Å; L540-T544 WeakPolarHBondContact O-CG2 3.23Å; L540-T544 PolarHBondContact O-N 2.69Å; L540-T544 PolarHBondContact O-OG1 3.24Å; K541-T544 PolarHBondContact O-N 2.88Å; K541-T544 PolarHBondContact O-OG1 3.49Å; T544-I552 HydrophobicContact CG2-CD1 3.78Å; T544-V556 HydrophobicContact CG2-CG2 4.28Å; T544-L569 HydrophobicContact CG2-CD2 4.5Å; T544-K570 WeakPolarHBondContact O-CD 3.26Å; T544-K570 WeakPolarHBondContact O-CE 3.21Å; T544-K570 PolarHBondContact O-NZ 3.17Å
545	E	82.6	Confident	78.3	Confident	77 Å²	77	53.2 Å²	53.2	36%	0.36	30%	0.298	S	S	.	.	H	α-helix	trans	-71.1	-47.6	173.2	-78.3	173.4	140.7	0	0	112	K541 D542 W543 A547 K570	K541-E545 IonicContact NZ-OE1 2.86Å; K541-E545 PolarHBondContact NZ-OE1 2.87Å; K541-E545 IonicContact NZ-OE2 3.76Å; K541-E545 PolarHBondContact NZ-OE2 2.84Å; K541-E545 PolarHBondContact O-N 3.41Å; D542-E545 PolarHBondContact O-N 3.04Å; W543-E545 VanDerWaalsContact C-N 3.28Å; W543-E545 PolarHBondContact O-N 2.76Å; E545-A547 VanDerWaalsContact C-N 3.34Å; E545-K570 HydrophobicContact CG-CG 4.1Å; E545-K570 PolarHBondContact O-NZ 3.08Å
546	H	79.4	Confident	78.3	Confident	155 Å²	155	50.7 Å²	50.7	72%	0.718	28%	0.281	S	S	*	.	H	α-helix	trans	-74.9	-21.3	179.3	-66.6	84.5	0	0	0	113.4	D542 W543	D542-H546 PolarHBondContact O-N 2.96Å; D542-H546 VanDerWaalsContact O-N 3.16Å; D542-H546 PolarHBondContact O-ND1 3.39Å; W543-H546 PolarHBondContact O-N 2.78Å
547	A	74.6	Confident	78.4	Confident	14 Å²	14	46.9 Å²	46.9	12%	0.116	26%	0.263	C	S	.	.	S	Bend	trans	-67.9	128.5	173.8	0	0	0	0	0	111.8	W543 E545 V551 I552 K570	W543-A547 HydrophobicContact CE3-CB 4.48Å; W543-A547 HydrophobicContact CZ3-CB 4.41Å; W543-A547 VanDerWaalsContact O-CB 3.24Å; W543-A547 WeakPolarHBondContact O-CB 3.13Å; W543-A547 PolarHBondContact O-N 3.08Å; E545-A547 VanDerWaalsContact C-N 3.34Å; A547-V551 HydrophobicContact CB-CB 4.33Å; A547-V551 HydrophobicContact CB-CG1 4.19Å; A547-I552 HydrophobicContact CB-CD1 3.78Å; A547-I552 HydrophobicContact CB-CG1 4.24Å; A547-K570 PolarHBondContact O-NZ 3.01Å
548	N	64.8	Low	78.5	Confident	116 Å²	116	47 Å²	47	62%	0.62	26%	0.263	S	S	*	.			trans	-66.7	147.3	173.8	-72.1	-58.2	0	0	0	110.9	P550 V551	N548-P550 VanDerWaalsContact C-CD 3.41Å; N548-P550 VanDerWaalsContact C-N 3.34Å; N548-P550 HydrophobicContact CB-CG 4.37Å; N548-P550 VanDerWaalsContact O-N 3.1Å; N548-V551 HydrophobicContact CB-CG2 4.24Å; N548-V551 VanDerWaalsContact O-CB 3.24Å; N548-V551 WeakPolarHBondContact O-CB 3.26Å; N548-V551 PolarHBondContact O-N 3.19Å
549	S	55.7	Low	78.7	Confident	105 Å²	105	51.5 Å²	51.5	73%	0.734	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-33.1	-179	179.6	0	0	0	0	117.2	V551 I552	S549-V551 VanDerWaalsContact C-N 3.29Å; S549-V551 PolarHBondContact O-N 3.22Å; S549-I552 VanDerWaalsContact O-O 3.06Å
550	P	61.1	Low	78.7	Confident	99 Å²	99	52 Å²	52	64%	0.643	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-8.1	173.2	29.1	-37.6	0	0	0	115.4	N548	N548-P550 VanDerWaalsContact C-CD 3.41Å; N548-P550 VanDerWaalsContact C-N 3.34Å; N548-P550 HydrophobicContact CB-CG 4.37Å; N548-P550 VanDerWaalsContact O-N 3.1Å
551	V	72.4	Confident	78.5	Confident	11 Å²	11	53.6 Å²	53.6	7%	0.067	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-34.4	177.9	174.7	0	0	0	0	111.2	I522 Q523 I524 W543 A547 N548 S549	I522-V551 HydrophobicContact CG2-CG1 3.88Å; I522-V551 VanDerWaalsContact O-CA 3.24Å; I522-V551 WeakPolarHBondContact O-CA 3.36Å; I522-V551 WeakPolarHBondContact O-CG1 3.34Å; Q523-V551 CarbonylContact C-O 2.98Å; Q523-V551 WeakPolarHBondContact CA-O 3.24Å; I524-V551 PolarHBondContact N-O 3.25Å; W543-V551 HydrophobicContact CH2-CG1 4.03Å; W543-V551 HydrophobicContact CZ2-CG1 4.25Å; A547-V551 HydrophobicContact CB-CB 4.33Å; A547-V551 HydrophobicContact CB-CG1 4.19Å; N548-V551 HydrophobicContact CB-CG2 4.24Å; N548-V551 VanDerWaalsContact O-CB 3.24Å; N548-V551 WeakPolarHBondContact O-CB 3.26Å; N548-V551 PolarHBondContact O-N 3.19Å; S549-V551 VanDerWaalsContact C-N 3.29Å; S549-V551 PolarHBondContact O-N 3.22Å
552	I	74.8	Confident	78.4	Confident	22 Å²	22	58 Å²	58	11%	0.113	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-111.6	113.4	-179	-62.2	170.7	0	0	0	107.6	I524 W543 T544 A547 S549 N554	I524-I552 HydrophobicContact CG2-CG1 4.06Å; W543-I552 HydrophobicContact CE3-CD1 4.34Å; W543-I552 HydrophobicContact CH2-CD1 4.45Å; W543-I552 HydrophobicContact CH2-CG1 4.17Å; W543-I552 HydrophobicContact CZ3-CD1 3.7Å; W543-I552 HydrophobicContact CZ3-CG1 3.85Å; T544-I552 HydrophobicContact CG2-CD1 3.78Å; A547-I552 HydrophobicContact CB-CD1 3.78Å; A547-I552 HydrophobicContact CB-CG1 4.24Å; S549-I552 VanDerWaalsContact O-O 3.06Å; I552-N554 WeakPolarHBondContact CG2-O 3.4Å
553	I	62.3	Low	78.1	Confident	66 Å²	66	64.2 Å²	64.2	34%	0.338	35%	0.354	S	S	.	.	S	Bend	trans	-67.2	-41	-175.4	-57.5	-179.8	0	0	0	110.7	Q523 I524 D525	Q523-I553 HydrophobicContact CB-CD1 4.07Å; Q523-I553 HydrophobicContact CB-CG1 4.14Å; I524-I553 PolarHBondContact O-N 3.43Å; D525-I553 HydrophobicContact CB-CB 4.41Å; D525-I553 HydrophobicContact CB-CD1 4.36Å
554	N	70.6	Confident	78	Confident	11 Å²	11	63.1 Å²	63.1	6%	0.059	35%	0.351	C	S	.	.	S	Bend	trans	-137.5	145.2	-177.2	-64.1	-56.6	0	0	0	111.5	D525 Q527 I552	D525-N554 PolarHBondContact OD1-ND2 3.37Å; D525-N554 PolarHBondContact OD2-ND2 3.14Å; Q527-N554 HydrophobicContact CB-CB 3.98Å; Q527-N554 HydrophobicContact CG-CB 4.13Å; Q527-N554 VanDerWaalsContact OE1-CB 3.24Å; Q527-N554 PolarHBondContact OE1-ND2 3.35Å; I552-N554 WeakPolarHBondContact CG2-O 3.4Å
555	E	80.6	Confident	78.1	Confident	77 Å²	77	64.1 Å²	64.1	36%	0.36	36%	0.36	S	S	.	.			trans	-62.6	147.7	-176.9	-65	-69	167.7	0	0	113.4	I568	E555-I568 HydrophobicContact CB-CD1 3.89Å; E555-I568 HydrophobicContact CB-CG1 4.4Å; E555-I568 HydrophobicContact CB-CG2 3.8Å; E555-I568 HydrophobicContact CG-CD1 4.21Å; E555-I568 HydrophobicContact CG-CG2 4.42Å; E555-I568 WeakPolarHBondContact OE2-CG2 3.36Å
556	V	86.2	Confident	78	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.024	35%	0.346	C	S	.	.			trans	-92.8	105	-178.2	176.8	0	0	0	0	110.7	L526 W531 L540 T544 I568 L569	L526-V556 HydrophobicContact CB-CG2 3.9Å; L526-V556 HydrophobicContact CD1-CG2 3.91Å; W531-V556 HydrophobicContact CD2-CG1 4.17Å; W531-V556 HydrophobicContact CG-CG1 3.99Å; L540-V556 HydrophobicContact CD2-CG1 4.45Å; T544-V556 HydrophobicContact CG2-CG2 4.28Å; V556-I568 CarbonylContact O-C 3.58Å; V556-I568 WeakPolarHBondContact O-CA 3.03Å; V556-I568 VanDerWaalsContact O-CG2 3.29Å; V556-I568 WeakPolarHBondContact O-CG2 3.48Å; V556-L569 HydrophobicContact CB-CB 4.17Å; V556-L569 HydrophobicContact CB-CD2 4.49Å; V556-L569 HydrophobicContact CG1-CB 3.95Å; V556-L569 HydrophobicContact CG1-CD2 3.83Å; V556-L569 WeakPolarHBondContact O-CB 3.39Å; V556-L569 PolarHBondContact O-N 3.08Å
557	T	87.8	Confident	78.2	Confident	53 Å²	53	56.1 Å²	56.1	33%	0.325	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-96.3	131.5	-179.3	-51.7	0	0	0	0	112.1	W531 G566	W531-T557 VanDerWaalsContact CD1-O 3.27Å; T557-G566 WeakPolarHBondContact CG2-O 3.41Å
558	C	90.1	Very high	78.7	Confident	4 Å²	4	56 Å²	56	3%	0.027	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	139.7	174.6	-59.3	0	0	0	0	112.2	C533 H564 A565 G566 E567 L572	C533-C558 HydrophobicContact CB-CB 3.79Å; C533-C558 WeakPolarHBondContact CB-SG 3.36Å; C533-C558 WeakPolarHBondContact SG-CB 3.47Å; C533-C558 CovalentContact SG-SG 2.02Å; C533-C558 PolarHBondContact SG-SG 2.89Å; C558-H564 HydrophobicContact CB-CB 4.47Å; C558-H564 WeakPolarHBondContact CB-O 3.46Å; C558-A565 CarbonylContact O-C 3.01Å; C558-A565 WeakPolarHBondContact O-CA 2.98Å; C558-G566 PolarHBondContact O-N 3.1Å; C558-E567 WeakPolarHBondContact CB-O 3.44Å; C558-E567 PolarHBondContact N-O 3.3Å; C558-E567 PolarHBondContact SG-O 2.75Å; C558-L572 WeakPolarHBondContact SG-CD1 3.17Å
559	E	90.1	Very high	79.8	Confident	131 Å²	131	50.4 Å²	50.4	61%	0.612	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	-27.5	170.3	-170.2	177.7	147.9	0	0	112.2	P530 W531 A565	P530-E559 WeakPolarHBondContact CA-OE2 3.17Å; P530-E559 HydrophobicContact CB-CB 4.39Å; P530-E559 WeakPolarHBondContact CB-OE2 3.3Å; W531-E559 PolarHBondContact O-N 2.59Å; E559-A565 WeakPolarHBondContact O-CB 3.47Å
560	S	86.7	Confident	81.1	Confident	47 Å²	47	48.6 Å²	48.6	33%	0.329	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	159.5	175.8	178.4	0	0	0	0	109.4	W531 D532 C533	W531-S560 PolarHBondContact O-N 3.18Å; D532-S560 CarbonylContact C-O 3.52Å; D532-S560 WeakPolarHBondContact CA-O 3.49Å; D532-S560 WeakPolarHBondContact OD1-CB 3.36Å; D532-S560 PolarHBondContact OD1-OG 3.11Å; C533-S560 PolarHBondContact N-O 2.87Å
561	P	84.4	Confident	81.9	Confident	36 Å²	36	47.3 Å²	47.3	23%	0.234	26%	0.255	C	S	.	.	S	Bend	cis	-67.7	163.5	-18.7	32.8	-35.4	0	0	0	110.6	C533 T534 K563 H564 A565	C533-P561 WeakPolarHBondContact O-CD 3.13Å; T534-P561 HydrophobicContact CG2-CG 4.3Å; P561-K563 PolarHBondContact O-N 3.14Å; P561-H564 PolarHBondContact O-N 2.96Å; P561-A565 PolarHBondContact O-N 3.07Å
562	A	83.6	Confident	82.4	Confident	99 Å²	99	47.3 Å²	47.3	82%	0.818	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	3.4	-177.3	0	0	0	0	0	116.4
563	K	82.2	Confident	82.5	Confident	174 Å²	174	48.2 Å²	48.2	76%	0.757	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-23.7	168.1	-64.5	179.8	-179.1	175.6	0	113.4	P561	P561-K563 PolarHBondContact O-N 3.14Å
564	H	85.1	Confident	83.5	Confident	22 Å²	22	51.4 Å²	51.4	10%	0.102	28%	0.278	C	S	.	.	S	Bend	trans	-127.3	8.8	-170.1	-56.9	-52	0	0	0	112.3	C558 P561 G566 E567 L572	C558-H564 HydrophobicContact CB-CB 4.47Å; C558-H564 WeakPolarHBondContact CB-O 3.46Å; P561-H564 PolarHBondContact O-N 2.96Å; H564-G566 PolarHBondContact O-N 3.03Å; H564-E567 WeakPolarHBondContact CA-OE2 3.41Å; H564-E567 IonicContact CE1-OE2 3.18Å; H564-E567 IonicContact CG-OE2 3.15Å; H564-E567 IonicContact ND1-OE2 3.47Å; H564-E567 PolarHBondContact ND1-OE2 3.35Å; H564-E567 WeakPolarHBondContact O-CB 3.21Å; H564-E567 PolarHBondContact O-N 2.94Å; H564-L572 HydrophobicContact CB-CD2 4.14Å; H564-L572 VanDerWaalsContact ND1-CD2 3.33Å; H564-L572 WeakPolarHBondContact ND1-CD2 3.45Å
565	A	84.9	Confident	83.7	Confident	24 Å²	24	57.3 Å²	57.3	20%	0.198	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	84.6	-169.3	0	0	0	0	0	113.2	L34 C558 E559 P561	L34-A565 WeakPolarHBondContact CD2-O 3.37Å; C558-A565 CarbonylContact O-C 3.01Å; C558-A565 WeakPolarHBondContact O-CA 2.98Å; E559-A565 WeakPolarHBondContact O-CB 3.47Å; P561-A565 PolarHBondContact O-N 3.07Å
566	G	80.7	Confident	83.4	Confident	8 Å²	8	56.2 Å²	56.2	8%	0.082	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	138.2	-19.8	-170.1	0	0	0	0	0	112.7	E36 T557 C558 H564	E36-G566 VanDerWaalsContact OE2-CA 3.31Å; E36-G566 WeakPolarHBondContact OE2-CA 3.18Å; T557-G566 WeakPolarHBondContact CG2-O 3.41Å; C558-G566 PolarHBondContact O-N 3.1Å; H564-G566 PolarHBondContact O-N 3.03Å
567	E	84.6	Confident	83.2	Confident	56 Å²	56	56.5 Å²	56.5	26%	0.262	31%	0.31	S	S	.	.			trans	-75.6	145.2	177.8	-55.5	-165.3	112.9	0	0	110.9	E36 C558 H564 L572	E36-E567 HydrophobicContact CB-CG 4.49Å; E36-E567 HydrophobicContact CG-CG 4.17Å; E36-E567 PolarHBondContact OE2-N 3.48Å; C558-E567 WeakPolarHBondContact CB-O 3.44Å; C558-E567 PolarHBondContact N-O 3.3Å; C558-E567 PolarHBondContact SG-O 2.75Å; H564-E567 WeakPolarHBondContact CA-OE2 3.41Å; H564-E567 IonicContact CE1-OE2 3.18Å; H564-E567 IonicContact CG-OE2 3.15Å; H564-E567 IonicContact ND1-OE2 3.47Å; H564-E567 PolarHBondContact ND1-OE2 3.35Å; H564-E567 WeakPolarHBondContact O-CB 3.21Å; H564-E567 PolarHBondContact O-N 2.94Å; E567-L572 HydrophobicContact CB-CD1 3.94Å; E567-L572 HydrophobicContact CB-CG 4.22Å; E567-L572 WeakPolarHBondContact OE2-CD2 3.5Å
568	I	85.2	Confident	83	Confident	10 Å²	10	55.5 Å²	55.5	5%	0.051	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-91.8	128.5	177.4	-59.5	168.3	0	0	0	108.8	K38 E555 V556 K570 F571	K38-I568 VanDerWaalsContact CE-CB 3.48Å; E555-I568 HydrophobicContact CB-CD1 3.89Å; E555-I568 HydrophobicContact CB-CG1 4.4Å; E555-I568 HydrophobicContact CB-CG2 3.8Å; E555-I568 HydrophobicContact CG-CD1 4.21Å; E555-I568 HydrophobicContact CG-CG2 4.42Å; E555-I568 WeakPolarHBondContact OE2-CG2 3.36Å; V556-I568 CarbonylContact O-C 3.58Å; V556-I568 WeakPolarHBondContact O-CA 3.03Å; V556-I568 VanDerWaalsContact O-CG2 3.29Å; V556-I568 WeakPolarHBondContact O-CG2 3.48Å; I568-K570 VanDerWaalsContact C-N 3.28Å; I568-K570 PolarHBondContact O-N 3.37Å; I568-K570 VanDerWaalsContact O-N 3.11Å; I568-F571 HydrophobicContact CB-CD2 3.7Å; I568-F571 HydrophobicContact CB-CE2 4Å; I568-F571 HydrophobicContact CG2-CD2 3.64Å; I568-F571 HydrophobicContact CG2-CE2 3.59Å; I568-F571 WeakPolarHBondContact O-CD2 3.22Å; I568-F571 PolarHBondContact O-N 3.16Å
569	L	86.8	Confident	82	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-46.9	-44.5	-171.5	-178.3	58.9	0	0	0	114.3	I537 L540 K541 T544 V556 F571 L572 I577	I537-L569 HydrophobicContact CB-CD1 4.49Å; I537-L569 HydrophobicContact CD1-CD1 4.08Å; I537-L569 HydrophobicContact CD1-CD2 3.92Å; I537-L569 HydrophobicContact CG1-CD1 4.14Å; I537-L569 HydrophobicContact CG1-CD2 3.96Å; I537-L569 HydrophobicContact CG2-CD1 3.55Å; L540-L569 HydrophobicContact CB-CD2 4.17Å; L540-L569 HydrophobicContact CD2-CD2 3.81Å; L540-L569 HydrophobicContact CG-CD2 3.72Å; K541-L569 HydrophobicContact CB-CD1 3.85Å; K541-L569 HydrophobicContact CB-CD2 4.42Å; K541-L569 HydrophobicContact CB-CG 3.98Å; K541-L569 HydrophobicContact CG-CD1 4.31Å; K541-L569 HydrophobicContact CG-CG 4.35Å; T544-L569 HydrophobicContact CG2-CD2 4.5Å; V556-L569 HydrophobicContact CB-CB 4.17Å; V556-L569 HydrophobicContact CB-CD2 4.49Å; V556-L569 HydrophobicContact CG1-CB 3.95Å; V556-L569 HydrophobicContact CG1-CD2 3.83Å; V556-L569 WeakPolarHBondContact O-CB 3.39Å; V556-L569 PolarHBondContact O-N 3.08Å; L569-F571 PolarHBondContact O-N 3.46Å; L569-L572 PolarHBondContact O-N 3.39Å; L569-I577 HydrophobicContact CD1-CD1 4.15Å
570	K	82.6	Confident	80.5	Confident	67 Å²	67	60.9 Å²	60.9	29%	0.291	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-62.1	-13.3	-178.2	-178.3	165.6	-172.5	143.3	0	114.6	T544 E545 A547 I568	T544-K570 WeakPolarHBondContact O-CD 3.26Å; T544-K570 WeakPolarHBondContact O-CE 3.21Å; T544-K570 PolarHBondContact O-NZ 3.17Å; E545-K570 HydrophobicContact CG-CG 4.1Å; E545-K570 PolarHBondContact O-NZ 3.08Å; A547-K570 PolarHBondContact O-NZ 3.01Å; I568-K570 VanDerWaalsContact C-N 3.28Å; I568-K570 PolarHBondContact O-N 3.37Å; I568-K570 VanDerWaalsContact O-N 3.11Å
571	F	79.6	Confident	78.6	Confident	71 Å²	71	62.1 Å²	62.1	31%	0.311	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-115.9	-7.6	-171.4	-53.6	-103.7	0	0	0	112.8	K38 E39 I568 L569	K38-F571 VanDerWaalsContact CE-CD2 3.4Å; K38-F571 VanDerWaalsContact CE-CG 3.41Å; K38-F571 HydrophobicContact CG-CB 4.34Å; K38-F571 HydrophobicContact CG-CD1 4.45Å; K38-F571 HydrophobicContact CG-CG 4.43Å; K38-F571 VanDerWaalsContact NZ-CE1 3.26Å; E39-F571 VanDerWaalsContact CD-CE1 3.41Å; E39-F571 HydrophobicContact CG-CD1 3.93Å; E39-F571 HydrophobicContact CG-CE1 4.12Å; E39-F571 WeakPolarHBondContact OE1-CE1 3.41Å; E39-F571 WeakPolarHBondContact OE2-CE1 3.39Å; I568-F571 HydrophobicContact CB-CD2 3.7Å; I568-F571 HydrophobicContact CB-CE2 4Å; I568-F571 HydrophobicContact CG2-CD2 3.64Å; I568-F571 HydrophobicContact CG2-CE2 3.59Å; I568-F571 WeakPolarHBondContact O-CD2 3.22Å; I568-F571 PolarHBondContact O-N 3.16Å; L569-F571 PolarHBondContact O-N 3.46Å
572	L	82.4	Confident	76.6	Confident	11 Å²	11	66.4 Å²	66.4	6%	0.058	38%	0.38	C	S	.	.	S	Bend	trans	-73	136.7	173	-85.3	137.7	0	0	0	110.7	K541 C558 H564 E567 L569 I577	K541-L572 WeakPolarHBondContact CE-O 3.48Å; C558-L572 WeakPolarHBondContact SG-CD1 3.17Å; H564-L572 HydrophobicContact CB-CD2 4.14Å; H564-L572 VanDerWaalsContact ND1-CD2 3.33Å; H564-L572 WeakPolarHBondContact ND1-CD2 3.45Å; E567-L572 HydrophobicContact CB-CD1 3.94Å; E567-L572 HydrophobicContact CB-CG 4.22Å; E567-L572 WeakPolarHBondContact OE2-CD2 3.5Å; L569-L572 PolarHBondContact O-N 3.39Å; L572-I577 HydrophobicContact CB-CD1 3.5Å; L572-I577 HydrophobicContact CB-CG1 4.02Å; L572-I577 HydrophobicContact CD1-CD1 4.17Å; L572-I577 HydrophobicContact CD2-CD1 4.33Å; L572-I577 HydrophobicContact CD2-CG1 4.01Å; L572-I577 HydrophobicContact CG-CD1 4.21Å; L572-I577 HydrophobicContact CG-CG1 4.44Å
573	G	77.4	Confident	74.4	Confident	41 Å²	41	67.2 Å²	67.2	42%	0.423	37%	0.37	S	S	.	.			trans	-68.8	141.6	171.9	0	0	0	0	0	111.6	E575 A576 I577	G573-E575 VanDerWaalsContact C-N 3.29Å; G573-E575 PolarHBondContact O-N 2.86Å; G573-A576 WeakPolarHBondContact O-CB 3.44Å; G573-A576 PolarHBondContact O-N 2.93Å; G573-I577 PolarHBondContact O-N 3.06Å
574	R	81.7	Confident	72.4	Confident	134 Å²	134	67.8 Å²	67.8	51%	0.506	38%	0.38	S	S	.	.	H	α-helix	trans	-54.7	-46.3	174.9	-74.2	-179.8	171.2	169.3	-9.5	111.6	M538 K541 D542 A576 I577 C578	M538-R574 HydrophobicContact CE-CG 4.44Å; M538-R574 HydrophobicContact SD-CB 4.3Å; M538-R574 HydrophobicContact SD-CG 4.19Å; K541-R574 HydrophobicContact CD-CG 4.38Å; D542-R574 IonicContact OD1-CZ 2.69Å; D542-R574 IonicContact OD1-NE 3.54Å; D542-R574 PolarHBondContact OD1-NE 3.35Å; D542-R574 IonicContact OD1-NH2 2.72Å; D542-R574 PolarHBondContact OD1-NH2 3.46Å; D542-R574 IonicContact OD2-CZ 2.67Å; D542-R574 IonicContact OD2-NE 2.76Å; D542-R574 IonicContact OD2-NH2 2.64Å; D542-R574 PolarHBondContact OD2-NH2 3.46Å; R574-A576 PolarHBondContact O-N 2.76Å; R574-A576 VanDerWaalsContact O-N 3.13Å; R574-I577 PolarHBondContact O-N 3.06Å; R574-C578 PolarHBondContact O-N 2.94Å
575	E	75.6	Confident	70.3	Confident	134 Å²	134	70.9 Å²	70.9	63%	0.626	41%	0.405	S	S	*	.	H	α-helix	trans	-50.2	-32.3	172.8	-54.8	-74.9	152.1	0	0	114	G573	G573-E575 VanDerWaalsContact C-N 3.29Å; G573-E575 PolarHBondContact O-N 2.86Å
576	A	75.1	Confident	67.9	Low	54 Å²	54	77.7 Å²	77.7	45%	0.446	44%	0.438	S	S	.	.	H	α-helix	trans	-83.5	-37.5	-175.5	0	0	0	0	0	112.3	G573 R574	G573-A576 WeakPolarHBondContact O-CB 3.44Å; G573-A576 PolarHBondContact O-N 2.93Å; R574-A576 PolarHBondContact O-N 2.76Å; R574-A576 VanDerWaalsContact O-N 3.13Å
577	I	80.9	Confident	65.8	Low	10 Å²	10	80.8 Å²	80.8	5%	0.051	47%	0.47	C	S	.	.	H	α-helix	trans	-78.3	-38.3	178.1	-68.1	167.4	0	0	0	111.3	T534 I537 M538 K541 L569 L572 G573 R574	T534-I577 WeakPolarHBondContact O-CG2 3.23Å; I537-I577 HydrophobicContact CG2-CD1 4.38Å; I537-I577 HydrophobicContact CG2-CG2 4.19Å; M538-I577 HydrophobicContact CE-CB 3.66Å; M538-I577 HydrophobicContact CE-CD1 3.52Å; M538-I577 HydrophobicContact CE-CG1 4.18Å; M538-I577 HydrophobicContact CE-CG2 3.64Å; M538-I577 HydrophobicContact CG-CG2 4.4Å; M538-I577 HydrophobicContact SD-CB 4.42Å; M538-I577 HydrophobicContact SD-CG2 4.3Å; K541-I577 HydrophobicContact CD-CD1 4.18Å; L569-I577 HydrophobicContact CD1-CD1 4.15Å; L572-I577 HydrophobicContact CB-CD1 3.5Å; L572-I577 HydrophobicContact CB-CG1 4.02Å; L572-I577 HydrophobicContact CD1-CD1 4.17Å; L572-I577 HydrophobicContact CD2-CD1 4.33Å; L572-I577 HydrophobicContact CD2-CG1 4.01Å; L572-I577 HydrophobicContact CG-CD1 4.21Å; L572-I577 HydrophobicContact CG-CG1 4.44Å; G573-I577 PolarHBondContact O-N 3.06Å; R574-I577 PolarHBondContact O-N 3.06Å
578	C	83.4	Confident	63.3	Low	33 Å²	33	84.7 Å²	84.7	22%	0.223	50%	0.498	C	S	.	.			trans	-137	93.4	-178.5	-154.8	0	0	0	0	111	C535 M538 R574 D580	C535-C578 HydrophobicContact CB-CB 3.9Å; C535-C578 WeakPolarHBondContact CB-SG 3.04Å; C535-C578 WeakPolarHBondContact SG-CA 3.33Å; C535-C578 WeakPolarHBondContact SG-CB 3.39Å; C535-C578 CovalentContact SG-SG 2.05Å; C535-C578 PolarHBondContact SG-SG 2.94Å; M538-C578 HydrophobicContact CG-CB 4.36Å; M538-C578 HydrophobicContact SD-CB 4.24Å; R574-C578 PolarHBondContact O-N 2.94Å; C578-D580 VanDerWaalsContact C-N 3.26Å; C578-D580 PolarHBondContact O-N 3.36Å
579	P	69.1	Low	61	Low	98 Å²	98	92.2 Å²	92.2	64%	0.636	54%	0.536	S	S	*	.			trans	-79.6	2	-172	32.4	-37.1	0	0	0	114.9
580	D	58.7	Low	58.3	Low	149 Å²	149	100.2 Å²	100.2	80%	0.797	58%	0.578	S	S	*	*			trans	-115.4	87.9	178.4	-80.6	-61.6	0	0	0	111	C578	C578-D580 VanDerWaalsContact C-N 3.26Å; C578-D580 PolarHBondContact O-N 3.36Å
581	S	46.5	Very low	55.7	Low	73 Å²	73	101.5 Å²	101.5	51%	0.51	60%	0.596	S	S	.	*			trans	-123.1	131.9	153.3	80.2	0	0	0	0	108.9	N583	S581-N583 PolarHBondContact O-N 2.93Å
582	P	43.9	Very low	53.3	Low	127 Å²	127	106.8 Å²	106.8	83%	0.825	62%	0.623	S	S	*	*			trans	-72.2	97.5	-177.3	28.1	-33.5	0	0	0	109.9	L584	P582-L584 PolarHBondContact O-N 2.87Å
583	N	35.4	Very low	50.6	Low	116 Å²	116	112.1 Å²	112.1	62%	0.62	65%	0.652	S	S	*	*			trans	-56	108.9	179.1	-86	-52.8	0	0	0	111.8	S581 S585	S581-N583 PolarHBondContact O-N 2.93Å; N583-S585 PolarHBondContact O-N 2.94Å
584	L	40.8	Very low	48.6	Very low	185 Å²	185	117.4 Å²	117.4	97%	0.969	67%	0.665	S	S	*	*			trans	-82.7	64.2	171.6	-147.6	89.8	0	0	0	109.8	P582	P582-L584 PolarHBondContact O-N 2.87Å
585	S	40.6	Very low	46	Very low	87 Å²	87	116.9 Å²	116.9	61%	0.608	67%	0.673	S	S	*	*			trans	-99.9	123.1	-174.9	58.9	0	0	0	0	112.8	N583	N583-S585 PolarHBondContact O-N 2.94Å
586	D	34.8	Very low	43.8	Very low	167 Å²	167	116 Å²	116	89%	0.893	68%	0.677	S	S	*	*			trans	57.9	132.5	169.6	-75.6	-43.8	0	0	0	119.4
587	G	36.6	Very low	41.5	Very low	73 Å²	73	120.9 Å²	120.9	75%	0.753	70%	0.695	S	S	*	*			trans	-87.4	153.9	176.9	0	0	0	0	0	113
588	T	32.1	Very low	38.9	Very low	139 Å²	139	126.5 Å²	126.5	85%	0.853	73%	0.73	S	S	*	*			trans	-134	122.2	162.1	-66.5	0	0	0	0	109.1
589	I	37.4	Very low	37	Very low	167 Å²	167	129.6 Å²	129.6	86%	0.856	75%	0.75	S	S	*	*			trans	-77	122.7	178.6	-61.2	169.4	0	0	0	109.2
590	L	30.3	Very low	35.2	Very low	168 Å²	168	136.1 Å²	136.1	88%	0.88	76%	0.762	S	S	*	*			trans	-149.6	140.6	150.3	-99.2	177.1	0	0	0	109.5
591	S	27.2	Very low	33.7	Very low	95 Å²	95	133.4 Å²	133.4	66%	0.664	75%	0.754	S	S	*	*			trans	-105.4	154.7	-178.9	61.3	0	0	0	0	112.1
592	M	29	Very low	32.9	Very low	181 Å²	181	137.8 Å²	137.8	89%	0.892	77%	0.771	S	S	*	*			trans	-162.5	157.2	134.4	-132.9	57.8	174.5	0	0	111.6
593	N	27	Very low	32.1	Very low	124 Å²	124	136.4 Å²	136.4	66%	0.663	76%	0.764	S	S	*	*			trans	-94.1	152.4	-177.2	-52.3	-27.6	0	0	0	111.7
594	H	34.1	Very low	31.8	Very low	151 Å²	151	137.5 Å²	137.5	70%	0.699	78%	0.775	S	S	*	*				164.1	135.6	93	-100	-51.4	0	0	0	115.3
595	N	28.2	Very low	31.2	Very low	123 Å²	123	133.4 Å²	133.4	66%	0.658	76%	0.762	S	S	*	*			trans	47.6	111.1	132	-65.3	30.1	0	0	0	122.9
596	T	28.7	Very low	30.8	Very low	117 Å²	117	135.7 Å²	135.7	72%	0.718	78%	0.775	S	S	*	*				60.3	118.9	120	64.4	0	0	0	0	121.6
597	D	27.4	Very low	30.5	Very low	156 Å²	156	132.5 Å²	132.5	83%	0.834	77%	0.765	S	S	*	*				-165.2	165.9	94.3	-104.3	-20.1	0	0	0	114.2
598	T	26.8	Very low	30.2	Very low	128 Å²	128	134.3 Å²	134.3	79%	0.785	77%	0.767	S	S	*	*			trans	-142.4	177.8	-178.3	62.8	0	0	0	0	108.2
599	P	43	Very low	30.1	Very low	98 Å²	98	138.1 Å²	138.1	64%	0.636	77%	0.767	S	S	*	*			cis	-147.7	-169.5	14.9	45.7	-25.5	0	0	0	117.7
600	R	29.9	Very low	30.1	Very low	235 Å²	235	135.4 Å²	135.4	89%	0.887	76%	0.76	S	S	*	*			trans	77.3	137.8	158.6	-74.4	175.5	177.8	158.4	0.4	117.6
601	S	28.6	Very low	30.3	Very low	91 Å²	91	136.2 Å²	136.2	64%	0.636	76%	0.76	S	S	*	*			cis	-163.9	139.9	-1.7	48	0	0	0	0	114.3
602	L	29.6	Very low	30.5	Very low	165 Å²	165	138.5 Å²	138.5	86%	0.864	76%	0.763	S	S	*	*			trans	56.5	146.5	143.4	-59.3	165.7	0	0	0	119
603	S	27.5	Very low	30.9	Very low	98 Å²	98	138.3 Å²	138.3	69%	0.685	76%	0.76	S	S	*	*			cis	-174.3	174.6	-20	54.7	0	0	0	0	106.5
604	V	28.3	Very low	31.5	Very low	139 Å²	139	136.8 Å²	136.8	84%	0.842	76%	0.755	S	S	*	*			cis	-140.4	157.2	6.6	-168.2	0	0	0	0	107.5
605	S	27.5	Very low	32.1	Very low	99 Å²	99	138.6 Å²	138.6	69%	0.692	76%	0.764	S	S	*	*			trans	-127.5	148.2	164.3	53.1	0	0	0	0	111.6
606	P	33	Very low	33.5	Very low	136 Å²	136	136.3 Å²	136.3	88%	0.883	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-75.9	124.2	165.4	-9.1	26.6	0	0	0	109.5
607	S	28.8	Very low	35.2	Very low	99 Å²	99	134.3 Å²	134.3	69%	0.692	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-82.2	149.6	-177.6	54	0	0	0	0	113.1
608	S	30.5	Very low	36.8	Very low	112 Å²	112	133.3 Å²	133.3	78%	0.783	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-56.1	148.7	158.1	40.5	0	0	0	0	111.5
609	Y	29.9	Very low	38.8	Very low	219 Å²	219	130.6 Å²	130.6	86%	0.859	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-83.2	149.8	163.9	-80	-89.3	0	0	0	109.8
610	P	35.8	Very low	40.3	Very low	109 Å²	109	129.9 Å²	129.9	71%	0.708	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-83	150.9	-167.4	32.8	-36.3	0	0	0	113.6	L612	P610-L612 PolarHBondContact O-N 3.46Å
611	E	35.8	Very low	42.2	Very low	186 Å²	186	123.3 Å²	123.3	87%	0.869	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-67.9	121.1	161.5	-68.6	-177.2	121.7	0	0	109.6	H613	E611-H613 PolarHBondContact O-N 3.36Å
612	L	30.1	Very low	44.6	Very low	142 Å²	142	123.5 Å²	123.5	74%	0.743	69%	0.692	S	S	*	*			trans	-97.9	90.7	-176.4	-171.8	73	0	0	0	110.1	P610 T614	P610-L612 PolarHBondContact O-N 3.46Å; L612-T614 VanDerWaalsContact C-N 3.29Å; L612-T614 HydrophobicContact CD2-CG2 3.57Å; L612-T614 HydrophobicContact CG-CG2 3.72Å; L612-T614 PolarHBondContact O-N 3.02Å
613	H	37.8	Very low	46.8	Very low	178 Å²	178	120.8 Å²	120.8	82%	0.824	68%	0.678	S	S	*	*			trans	-66.2	89	165.3	-79.6	-70.4	0	0	0	110	E611 E615	E611-H613 PolarHBondContact O-N 3.36Å; H613-E615 PolarHBondContact O-N 2.65Å
614	T	39.5	Very low	49.4	Very low	92 Å²	92	117.8 Å²	117.8	56%	0.564	66%	0.663	S	S	*	*			trans	-77.3	97.4	170.6	56.9	0	0	0	0	109.9	L612 V616	L612-T614 VanDerWaalsContact C-N 3.29Å; L612-T614 HydrophobicContact CD2-CG2 3.57Å; L612-T614 HydrophobicContact CG-CG2 3.72Å; L612-T614 PolarHBondContact O-N 3.02Å; T614-V616 VanDerWaalsContact C-N 3.33Å; T614-V616 PolarHBondContact O-N 2.86Å
615	E	48.1	Very low	51.9	Low	188 Å²	188	116.4 Å²	116.4	88%	0.879	65%	0.65	S	S	*	*			trans	-61.8	101	152.9	-71.2	-166.6	162.7	0	0	107.7	H613 P617	H613-E615 PolarHBondContact O-N 2.65Å; E615-P617 VanDerWaalsContact O-CD 3.26Å; E615-P617 WeakPolarHBondContact O-CD 3.42Å
616	V	57.5	Low	54.7	Low	75 Å²	75	116 Å²	116	46%	0.455	64%	0.639	S	S	.	*			trans	-70	114.3	178.4	179.1	0	0	0	0	107.7	T614 L618 V620 L621	T614-V616 VanDerWaalsContact C-N 3.33Å; T614-V616 PolarHBondContact O-N 2.86Å; V616-L618 PolarHBondContact O-N 3.1Å; V616-V620 HydrophobicContact CG1-CB 3.93Å; V616-V620 HydrophobicContact CG1-CG1 3.93Å; V616-L621 HydrophobicContact CG1-CB 4.39Å
617	P	64.3	Low	57.3	Low	75 Å²	75	113.3 Å²	113.3	49%	0.487	62%	0.62	S	S	.	*			trans	-63.3	140.6	-177.8	26.3	-34	0	0	0	109.6	E615 S619 V620	E615-P617 VanDerWaalsContact O-CD 3.26Å; E615-P617 WeakPolarHBondContact O-CD 3.42Å; P617-S619 PolarHBondContact O-N 2.59Å; P617-V620 HydrophobicContact CG-CB 4.43Å; P617-V620 HydrophobicContact CG-CG2 3.92Å; P617-V620 PolarHBondContact O-N 3.33Å
618	L	61.2	Low	60	Low	135 Å²	135	113 Å²	113	71%	0.707	61%	0.614	S	S	*	*	H	α-helix	trans	-51.6	-32	-170.5	-134.1	80.1	0	0	0	113.4	V616 V620 L621 I622	V616-L618 PolarHBondContact O-N 3.1Å; L618-V620 PolarHBondContact O-N 2.85Å; L618-L621 PolarHBondContact O-N 3.47Å; L618-I622 HydrophobicContact CD2-CD1 4.35Å; L618-I622 HydrophobicContact CG-CD1 4.44Å; L618-I622 WeakPolarHBondContact O-CB 3.4Å; L618-I622 WeakPolarHBondContact O-CD1 3.29Å; L618-I622 WeakPolarHBondContact O-CG1 3.4Å; L618-I622 PolarHBondContact O-N 2.92Å
619	S	69.1	Low	62.8	Low	72 Å²	72	114.2 Å²	114.2	50%	0.503	61%	0.605	S	S	.	*	H	α-helix	trans	-58.7	-39.8	175.3	50.5	0	0	0	0	114.1	P617 L623	P617-S619 PolarHBondContact O-N 2.59Å; S619-L623 WeakPolarHBondContact O-CB 3.42Å; S619-L623 WeakPolarHBondContact O-CG 3.32Å; S619-L623 PolarHBondContact O-N 3.37Å
620	V	73.6	Confident	65.6	Low	83 Å²	83	108.1 Å²	108.1	50%	0.503	59%	0.587	S	S	.	*	H	α-helix	trans	-72.9	-38.8	178.6	173.6	0	0	0	0	110.6	V616 P617 L618 L623 G624	V616-V620 HydrophobicContact CG1-CB 3.93Å; V616-V620 HydrophobicContact CG1-CG1 3.93Å; P617-V620 HydrophobicContact CG-CB 4.43Å; P617-V620 HydrophobicContact CG-CG2 3.92Å; P617-V620 PolarHBondContact O-N 3.33Å; L618-V620 PolarHBondContact O-N 2.85Å; V620-L623 PolarHBondContact O-N 2.87Å; V620-G624 PolarHBondContact O-N 3.37Å
621	L	69.9	Low	68.1	Low	96 Å²	96	108.2 Å²	108.2	50%	0.503	58%	0.581	S	S	.	*	H	α-helix	trans	-69.2	-39.3	177.5	-160.5	151.1	0	0	0	111.3	V616 L618 G624 L625	V616-L621 HydrophobicContact CG1-CB 4.39Å; L618-L621 PolarHBondContact O-N 3.47Å; L621-G624 PolarHBondContact O-N 2.97Å; L621-L625 HydrophobicContact CD2-CD1 3.68Å; L621-L625 HydrophobicContact CD2-CG 4.18Å; L621-L625 WeakPolarHBondContact O-CG 3.4Å; L621-L625 PolarHBondContact O-N 3.26Å
622	I	79.4	Confident	70.5	Confident	95 Å²	95	102.6 Å²	102.6	49%	0.487	56%	0.562	S	S	.	*	H	α-helix	trans	-62.3	-45	171.2	-70.6	164	0	0	0	111.2	L618 L625 L626	L618-I622 HydrophobicContact CD2-CD1 4.35Å; L618-I622 HydrophobicContact CG-CD1 4.44Å; L618-I622 WeakPolarHBondContact O-CB 3.4Å; L618-I622 WeakPolarHBondContact O-CD1 3.29Å; L618-I622 WeakPolarHBondContact O-CG1 3.4Å; L618-I622 PolarHBondContact O-N 2.92Å; I622-L625 PolarHBondContact O-N 2.92Å; I622-L626 VanDerWaalsContact O-CB 3.29Å; I622-L626 WeakPolarHBondContact O-CB 3.39Å; I622-L626 PolarHBondContact O-N 2.93Å
623	L	75.2	Confident	73.4	Confident	109 Å²	109	99.5 Å²	99.5	57%	0.571	55%	0.549	S	S	*	.	H	α-helix	trans	-62	-41.7	175.2	-83.8	164	0	0	0	112.2	S619 V620 L626 V627	S619-L623 WeakPolarHBondContact O-CB 3.42Å; S619-L623 WeakPolarHBondContact O-CG 3.32Å; S619-L623 PolarHBondContact O-N 3.37Å; V620-L623 PolarHBondContact O-N 2.87Å; L623-L626 PolarHBondContact O-N 3.4Å; L623-V627 WeakPolarHBondContact O-CG2 3.2Å; L623-V627 PolarHBondContact O-N 2.89Å
624	G	82.4	Confident	75.7	Confident	35 Å²	35	94.8 Å²	94.8	36%	0.361	54%	0.535	S	S	.	.	H	α-helix	trans	-60.5	-49	175.1	0	0	0	0	0	112.5	V620 L621 L626 V627 V628	V620-G624 PolarHBondContact O-N 3.37Å; L621-G624 PolarHBondContact O-N 2.97Å; G624-L626 VanDerWaalsContact C-N 3.31Å; G624-L626 PolarHBondContact O-N 3.42Å; G624-V627 PolarHBondContact O-N 3.33Å; G624-V628 WeakPolarHBondContact O-CG2 3.39Å; G624-V628 PolarHBondContact O-N 3.31Å
625	L	81.3	Confident	78	Confident	110 Å²	110	97.5 Å²	97.5	58%	0.576	54%	0.539	S	S	*	.	H	α-helix	trans	-61.3	-37.9	175.3	-72.1	174.1	0	0	0	112.3	L621 I622 V628 F629	L621-L625 HydrophobicContact CD2-CD1 3.68Å; L621-L625 HydrophobicContact CD2-CG 4.18Å; L621-L625 WeakPolarHBondContact O-CG 3.4Å; L621-L625 PolarHBondContact O-N 3.26Å; I622-L625 PolarHBondContact O-N 2.92Å; L625-V628 PolarHBondContact O-N 3.43Å; L625-F629 WeakPolarHBondContact O-CB 3.45Å; L625-F629 PolarHBondContact O-N 3.4Å
626	L	85.3	Confident	79.9	Confident	90 Å²	90	90.3 Å²	90.3	47%	0.471	52%	0.515	S	S	.	.	H	α-helix	trans	-68.6	-37.6	177.8	-165.1	152.2	0	0	0	111.6	I622 L623 G624 F629 I630	I622-L626 VanDerWaalsContact O-CB 3.29Å; I622-L626 WeakPolarHBondContact O-CB 3.39Å; I622-L626 PolarHBondContact O-N 2.93Å; L623-L626 PolarHBondContact O-N 3.4Å; G624-L626 VanDerWaalsContact C-N 3.31Å; G624-L626 PolarHBondContact O-N 3.42Å; L626-F629 PolarHBondContact O-N 2.91Å; L626-I630 HydrophobicContact CD2-CD1 3.61Å; L626-I630 HydrophobicContact CD2-CG1 4.3Å; L626-I630 WeakPolarHBondContact O-CG1 3.32Å; L626-I630 PolarHBondContact O-N 3.38Å
627	V	87	Confident	81.1	Confident	79 Å²	79	89.2 Å²	89.2	48%	0.479	51%	0.514	S	S	.	.	H	α-helix	trans	-65.8	-43.9	171.3	169.4	0	0	0	0	111.4	L623 G624 F629 I630 L631	L623-V627 WeakPolarHBondContact O-CG2 3.2Å; L623-V627 PolarHBondContact O-N 2.89Å; G624-V627 PolarHBondContact O-N 3.33Å; V627-F629 VanDerWaalsContact C-N 3.31Å; V627-F629 PolarHBondContact O-N 3.37Å; V627-I630 PolarHBondContact O-N 3.09Å; V627-L631 HydrophobicContact CG1-CD1 3.99Å; V627-L631 HydrophobicContact CG1-CG 4.45Å; V627-L631 WeakPolarHBondContact O-CB 3.43Å; V627-L631 WeakPolarHBondContact O-CG 3.34Å; V627-L631 PolarHBondContact O-N 2.88Å
628	V	87.1	Confident	82.1	Confident	93 Å²	93	87.5 Å²	87.5	56%	0.564	51%	0.511	S	S	*	.	H	α-helix	trans	-62.1	-38.6	175.5	170.9	0	0	0	0	111.4	G624 L625 L631 S632	G624-V628 WeakPolarHBondContact O-CG2 3.39Å; G624-V628 PolarHBondContact O-N 3.31Å; L625-V628 PolarHBondContact O-N 3.43Å; V628-L631 PolarHBondContact O-N 3.44Å; V628-S632 PolarHBondContact O-N 2.86Å
629	F	87.8	Confident	83.1	Confident	137 Å²	137	85.5 Å²	85.5	60%	0.601	50%	0.5	S	S	*	.	H	α-helix	trans	-66.4	-44	174.7	-177.1	-97.6	0	0	0	112.4	L625 L626 V627 L631 S632 V633	L625-F629 WeakPolarHBondContact O-CB 3.45Å; L625-F629 PolarHBondContact O-N 3.4Å; L626-F629 PolarHBondContact O-N 2.91Å; V627-F629 VanDerWaalsContact C-N 3.31Å; V627-F629 PolarHBondContact O-N 3.37Å; F629-L631 VanDerWaalsContact C-N 3.33Å; F629-L631 PolarHBondContact O-N 3.46Å; F629-S632 PolarHBondContact O-N 3.4Å; F629-S632 PolarHBondContact O-OG 2.83Å; F629-S632 VanDerWaalsContact O-OG 3.09Å; F629-V633 HydrophobicContact CD1-CG2 4.31Å; F629-V633 HydrophobicContact CE1-CG2 3.97Å; F629-V633 HydrophobicContact CE2-CG2 4.37Å; F629-V633 HydrophobicContact CZ-CG2 4Å; F629-V633 WeakPolarHBondContact O-CB 3.36Å; F629-V633 VanDerWaalsContact O-CG2 3.3Å; F629-V633 WeakPolarHBondContact O-CG2 3.31Å; F629-V633 PolarHBondContact O-N 3.29Å
630	I	89.1	Confident	83.4	Confident	91 Å²	91	88.6 Å²	88.6	47%	0.467	51%	0.505	S	S	.	.	H	α-helix	trans	-60.5	-44.2	173.2	-72.4	172.9	0	0	0	110.4	L626 V627 V633 C634	L626-I630 HydrophobicContact CD2-CD1 3.61Å; L626-I630 HydrophobicContact CD2-CG1 4.3Å; L626-I630 WeakPolarHBondContact O-CG1 3.32Å; L626-I630 PolarHBondContact O-N 3.38Å; V627-I630 PolarHBondContact O-N 3.09Å; I630-V633 PolarHBondContact O-N 3.44Å; I630-C634 VanDerWaalsContact O-CB 3.32Å; I630-C634 WeakPolarHBondContact O-CB 3.34Å; I630-C634 PolarHBondContact O-N 3.24Å; I630-C634 PolarHBondContact O-SG 3.41Å; I630-C634 VanDerWaalsContact O-SG 3.32Å
631	L	87.9	Confident	83.7	Confident	111 Å²	111	89 Å²	89	58%	0.581	51%	0.507	S	S	*	.	H	α-helix	trans	-63.3	-41.9	178.5	-74.3	171.4	0	0	0	112.3	V627 V628 F629 C634 F635	V627-L631 HydrophobicContact CG1-CD1 3.99Å; V627-L631 HydrophobicContact CG1-CG 4.45Å; V627-L631 WeakPolarHBondContact O-CB 3.43Å; V627-L631 WeakPolarHBondContact O-CG 3.34Å; V627-L631 PolarHBondContact O-N 2.88Å; V628-L631 PolarHBondContact O-N 3.44Å; F629-L631 VanDerWaalsContact C-N 3.33Å; F629-L631 PolarHBondContact O-N 3.46Å; L631-C634 PolarHBondContact O-N 2.85Å; L631-F635 WeakPolarHBondContact O-CB 3.3Å; L631-F635 PolarHBondContact O-N 3.41Å
632	S	86.8	Confident	84	Confident	68 Å²	68	90 Å²	90	48%	0.476	51%	0.508	S	S	.	.	H	α-helix	trans	-68.7	-38.4	177.8	74.1	0	0	0	0	112.3	V628 F629 F635 G636	V628-S632 PolarHBondContact O-N 2.86Å; F629-S632 PolarHBondContact O-N 3.4Å; F629-S632 PolarHBondContact O-OG 2.83Å; F629-S632 VanDerWaalsContact O-OG 3.09Å; S632-F635 PolarHBondContact O-N 2.86Å; S632-G636 PolarHBondContact O-N 3.32Å
633	V	90.6	Very high	83.7	Confident	77 Å²	77	89 Å²	89	47%	0.467	51%	0.506	S	S	.	.	H	α-helix	trans	-65	-43.2	172.8	171.3	0	0	0	0	111.3	F629 I630 G636 A637	F629-V633 HydrophobicContact CD1-CG2 4.31Å; F629-V633 HydrophobicContact CE1-CG2 3.97Å; F629-V633 HydrophobicContact CE2-CG2 4.37Å; F629-V633 HydrophobicContact CZ-CG2 4Å; F629-V633 WeakPolarHBondContact O-CB 3.36Å; F629-V633 VanDerWaalsContact O-CG2 3.3Å; F629-V633 WeakPolarHBondContact O-CG2 3.31Å; F629-V633 PolarHBondContact O-N 3.29Å; I630-V633 PolarHBondContact O-N 3.44Å; V633-G636 PolarHBondContact O-N 2.93Å; V633-A637 VanDerWaalsContact O-CB 3.31Å; V633-A637 WeakPolarHBondContact O-CB 3.32Å; V633-A637 PolarHBondContact O-N 3.36Å
634	C	86.1	Confident	83.3	Confident	79 Å²	79	88.1 Å²	88.1	53%	0.534	50%	0.501	S	S	.	.	H	α-helix	trans	-63.9	-38.5	174.2	-75.8	0	0	0	0	112.4	I630 L631 G638	I630-C634 VanDerWaalsContact O-CB 3.32Å; I630-C634 WeakPolarHBondContact O-CB 3.34Å; I630-C634 PolarHBondContact O-N 3.24Å; I630-C634 PolarHBondContact O-SG 3.41Å; I630-C634 VanDerWaalsContact O-SG 3.32Å; L631-C634 PolarHBondContact O-N 2.85Å; C634-G638 PolarHBondContact O-N 2.84Å
635	F	88.2	Confident	82.2	Confident	149 Å²	149	94.2 Å²	94.2	65%	0.654	52%	0.518	S	S	*	.	H	α-helix	trans	-69.3	-42	176.8	-159.2	-97.5	0	0	0	111.6	L631 S632 G638 L639	L631-F635 WeakPolarHBondContact O-CB 3.3Å; L631-F635 PolarHBondContact O-N 3.41Å; S632-F635 PolarHBondContact O-N 2.86Å; F635-G638 PolarHBondContact O-N 3.43Å; F635-L639 HydrophobicContact CD1-CD1 3.79Å; F635-L639 HydrophobicContact CD1-CG 4.27Å; F635-L639 HydrophobicContact CE1-CD1 3.8Å; F635-L639 HydrophobicContact CE1-CG 4.24Å; F635-L639 WeakPolarHBondContact O-CG 3.31Å; F635-L639 PolarHBondContact O-N 3.31Å
636	G	87.5	Confident	81	Confident	37 Å²	37	98.4 Å²	98.4	38%	0.381	53%	0.526	S	S	.	.	H	α-helix	trans	-61.4	-44.1	172.5	0	0	0	0	0	112.7	S632 V633 L639 F640	S632-G636 PolarHBondContact O-N 3.32Å; V633-G636 PolarHBondContact O-N 2.93Å; G636-L639 PolarHBondContact O-N 2.88Å; G636-F640 WeakPolarHBondContact O-CB 3.45Å; G636-F640 PolarHBondContact O-N 2.86Å
637	A	83.2	Confident	79.6	Confident	52 Å²	52	104.5 Å²	104.5	43%	0.43	54%	0.543	S	S	.	.	H	α-helix	trans	-64	-39.9	173.3	0	0	0	0	0	112.1	V633 F640 V641	V633-A637 VanDerWaalsContact O-CB 3.31Å; V633-A637 WeakPolarHBondContact O-CB 3.32Å; V633-A637 PolarHBondContact O-N 3.36Å; A637-F640 PolarHBondContact O-N 3.39Å; A637-V641 WeakPolarHBondContact O-CB 3.38Å; A637-V641 WeakPolarHBondContact O-CG2 3.34Å; A637-V641 PolarHBondContact O-N 3.44Å
638	G	85.9	Confident	77.8	Confident	40 Å²	40	109.8 Å²	109.8	41%	0.412	56%	0.559	S	S	.	*	H	α-helix	trans	-61.2	-45.6	174	0	0	0	0	0	112.6	C634 F635 V641 F642	C634-G638 PolarHBondContact O-N 2.84Å; F635-G638 PolarHBondContact O-N 3.43Å; G638-V641 PolarHBondContact O-N 2.86Å; G638-F642 VanDerWaalsContact O-CB 3.31Å; G638-F642 WeakPolarHBondContact O-CB 3.32Å; G638-F642 PolarHBondContact O-N 2.99Å
639	L	80.9	Confident	75.6	Confident	92 Å²	92	107.9 Å²	107.9	48%	0.482	56%	0.559	S	S	.	*	H	α-helix	trans	-62.9	-41.8	173.2	-75.2	171.1	0	0	0	112	F635 G636 F642 V643	F635-L639 HydrophobicContact CD1-CD1 3.79Å; F635-L639 HydrophobicContact CD1-CG 4.27Å; F635-L639 HydrophobicContact CE1-CD1 3.8Å; F635-L639 HydrophobicContact CE1-CG 4.24Å; F635-L639 WeakPolarHBondContact O-CG 3.31Å; F635-L639 PolarHBondContact O-N 3.31Å; G636-L639 PolarHBondContact O-N 2.88Å; L639-F642 PolarHBondContact O-N 2.85Å; L639-V643 WeakPolarHBondContact O-CB 3.47Å; L639-V643 WeakPolarHBondContact O-CG2 3.34Å; L639-V643 PolarHBondContact O-N 3.26Å
640	F	75.8	Confident	73.4	Confident	137 Å²	137	107.7 Å²	107.7	60%	0.601	57%	0.568	S	S	*	*	H	α-helix	trans	-63	-45.3	176.8	-172.2	-108.7	0	0	0	111.8	G636 A637 V643 L644	G636-F640 WeakPolarHBondContact O-CB 3.45Å; G636-F640 PolarHBondContact O-N 2.86Å; A637-F640 PolarHBondContact O-N 3.39Å; F640-V643 PolarHBondContact O-N 3.36Å; F640-L644 HydrophobicContact CD1-CD1 3.8Å; F640-L644 HydrophobicContact CE1-CD1 3.51Å; F640-L644 HydrophobicContact CE1-CG 4.39Å; F640-L644 HydrophobicContact CZ-CD1 4.03Å; F640-L644 WeakPolarHBondContact O-CB 3.47Å; F640-L644 WeakPolarHBondContact O-CG 3.25Å; F640-L644 PolarHBondContact O-N 2.91Å
641	V	79.5	Confident	71	Confident	92 Å²	92	108.8 Å²	108.8	56%	0.558	58%	0.582	S	S	*	*	H	α-helix	trans	-63.6	-39.6	173.4	170.4	0	0	0	0	111.4	A637 G638 L644 K645	A637-V641 WeakPolarHBondContact O-CB 3.38Å; A637-V641 WeakPolarHBondContact O-CG2 3.34Å; A637-V641 PolarHBondContact O-N 3.44Å; G638-V641 PolarHBondContact O-N 2.86Å; V641-L644 PolarHBondContact O-N 3.26Å; V641-K645 VanDerWaalsContact O-CB 3.25Å; V641-K645 WeakPolarHBondContact O-CB 3.34Å; V641-K645 PolarHBondContact O-N 3.11Å
642	F	76.8	Confident	68.5	Low	118 Å²	118	109 Å²	109	52%	0.518	59%	0.592	S	S	.	*	H	α-helix	trans	-63.1	-44.8	175.3	-179.6	-100.4	0	0	0	111.9	G638 L639 K645 R646	G638-F642 VanDerWaalsContact O-CB 3.31Å; G638-F642 WeakPolarHBondContact O-CB 3.32Å; G638-F642 PolarHBondContact O-N 2.99Å; L639-F642 PolarHBondContact O-N 2.85Å; F642-K645 PolarHBondContact O-N 3.42Å; F642-R646 WeakPolarHBondContact O-CB 3.45Å; F642-R646 PolarHBondContact O-N 2.85Å
643	V	74.2	Confident	66.1	Low	73 Å²	73	111.8 Å²	111.8	44%	0.442	61%	0.606	S	S	.	*	H	α-helix	trans	-64.1	-42.7	176	169.1	0	0	0	0	111.4	L639 F640 R646 R647	L639-V643 WeakPolarHBondContact O-CB 3.47Å; L639-V643 WeakPolarHBondContact O-CG2 3.34Å; L639-V643 PolarHBondContact O-N 3.26Å; F640-V643 PolarHBondContact O-N 3.36Å; V643-R646 PolarHBondContact O-N 3.36Å; V643-R647 PolarHBondContact O-N 2.84Å
644	L	66.4	Low	63.5	Low	90 Å²	90	114.5 Å²	114.5	47%	0.471	63%	0.625	S	S	.	*	H	α-helix	trans	-64.3	-40	174.6	-73.3	175.6	0	0	0	112.4	F640 V641 R647 K648	F640-L644 HydrophobicContact CD1-CD1 3.8Å; F640-L644 HydrophobicContact CE1-CD1 3.51Å; F640-L644 HydrophobicContact CE1-CG 4.39Å; F640-L644 HydrophobicContact CZ-CD1 4.03Å; F640-L644 WeakPolarHBondContact O-CB 3.47Å; F640-L644 WeakPolarHBondContact O-CG 3.25Å; F640-L644 PolarHBondContact O-N 2.91Å; V641-L644 PolarHBondContact O-N 3.26Å; L644-R647 PolarHBondContact O-N 2.88Å; L644-K648 PolarHBondContact O-N 3.48Å
645	K	59.6	Low	60.7	Low	164 Å²	164	121 Å²	121	71%	0.713	64%	0.639	S	S	*	*	H	α-helix	trans	-65.3	-43	175.1	-168.9	173.8	-177	178.8	0	111	V641 F642 R647 K648 G649	V641-K645 VanDerWaalsContact O-CB 3.25Å; V641-K645 WeakPolarHBondContact O-CB 3.34Å; V641-K645 PolarHBondContact O-N 3.11Å; F642-K645 PolarHBondContact O-N 3.42Å; K645-R647 VanDerWaalsContact C-N 3.31Å; K645-R647 PolarHBondContact O-N 3.37Å; K645-K648 PolarHBondContact O-N 2.84Å; K645-K648 VanDerWaalsContact O-N 3.11Å; K645-G649 PolarHBondContact O-N 3.33Å
646	R	56.2	Low	57.9	Low	197 Å²	197	120.4 Å²	120.4	74%	0.743	64%	0.642	S	S	*	*	H	α-helix	trans	-64.7	-32.3	176.1	-155	173.2	-169.9	-174.9	3.8	112.2	F642 V643 K648	F642-R646 WeakPolarHBondContact O-CB 3.45Å; F642-R646 PolarHBondContact O-N 2.85Å; V643-R646 PolarHBondContact O-N 3.36Å; R646-K648 VanDerWaalsContact C-N 3.32Å; R646-K648 PolarHBondContact O-N 3.35Å
647	R	54.6	Low	55.2	Low	218 Å²	218	124 Å²	124	82%	0.823	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-7.2	172.5	-77.5	-172.3	174.6	-168.5	0.2	115.4	V643 L644 K645	V643-R647 PolarHBondContact O-N 2.84Å; L644-R647 PolarHBondContact O-N 2.88Å; K645-R647 VanDerWaalsContact C-N 3.31Å; K645-R647 PolarHBondContact O-N 3.37Å
648	K	48.8	Very low	52.7	Low	190 Å²	190	128.3 Å²	128.3	83%	0.826	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	8.3	172.7	-82.1	-173.3	171.8	-178.6	0	114.1	L644 K645 R646 V650	L644-K648 PolarHBondContact O-N 3.48Å; K645-K648 PolarHBondContact O-N 2.84Å; K645-K648 VanDerWaalsContact O-N 3.11Å; R646-K648 VanDerWaalsContact C-N 3.32Å; R646-K648 PolarHBondContact O-N 3.35Å; K648-V650 PolarHBondContact O-N 3.43Å
649	G	41.1	Very low	50.1	Low	54 Å²	54	132.8 Å²	132.8	56%	0.557	69%	0.687	S	S	*	*			trans	-89.9	30.8	-167.6	0	0	0	0	0	118.2	K645	K645-G649 PolarHBondContact O-N 3.33Å
650	V	42.4	Very low	47.8	Very low	132 Å²	132	135.2 Å²	135.2	80%	0.8	70%	0.7	S	S	*	*			trans	-137.4	94	172.7	-174	0	0	0	0	111.7	K648	K648-V650 PolarHBondContact O-N 3.43Å
651	P	37.9	Very low	45.5	Very low	115 Å²	115	135.4 Å²	135.4	75%	0.747	71%	0.707	S	S	*	*			trans	-88.3	106.6	167.5	5.3	14	0	0	0	110.1
652	S	36.5	Very low	43.1	Very low	115 Å²	115	136.7 Å²	136.7	80%	0.804	72%	0.715	S	S	*	*			trans	-86.1	117.5	166.7	58	0	0	0	0	110.2
653	V	35.4	Very low	40.7	Very low	127 Å²	127	135.5 Å²	135.5	77%	0.77	72%	0.722	S	S	*	*			trans	-129.9	144.3	179.8	179.5	0	0	0	0	109.2
654	P	36.4	Very low	38.5	Very low	133 Å²	133	137.4 Å²	137.4	86%	0.864	74%	0.738	S	S	*	*			trans	-104.5	-149.2	-152.5	42.6	-37.6	0	0	0	115
655	R	27.9	Very low	36.7	Very low	216 Å²	216	142 Å²	142	82%	0.815	75%	0.754	S	S	*	*			trans	-112	132	-157	169.5	-175.2	179.6	-167.6	1.7	112.6
656	N	29.3	Very low	35.1	Very low	137 Å²	137	141.1 Å²	141.1	73%	0.733	75%	0.753	S	S	*	*			trans	65.1	150.9	173.3	-59.1	17.7	0	0	0	114.4
657	T	29.7	Very low	33.8	Very low	113 Å²	113	139.6 Å²	139.6	69%	0.693	76%	0.759	S	S	*	*			cis	-149.9	153.1	18.4	45.2	0	0	0	0	113
658	N	30.9	Very low	32.4	Very low	141 Å²	141	136.6 Å²	136.6	75%	0.754	75%	0.754	S	S	*	*			trans	56.9	142.1	140	-62.6	12.3	0	0	0	124.3
659	N	31.5	Very low	31.3	Very low	135 Å²	135	138.6 Å²	138.6	72%	0.722	76%	0.758	S	S	*	*			trans	82.9	106.8	147.6	-68.7	6.7	0	0	0	122.3
660	L	32.6	Very low	30.6	Very low	143 Å²	143	139.5 Å²	139.5	75%	0.749	77%	0.767	S	S	*	*				71.3	148.6	121	-77.4	157.4	0	0	0	123.1
661	D	27.4	Very low	29.7	Very low	141 Å²	141	138.5 Å²	138.5	75%	0.754	77%	0.766	S	S	*	*			trans	75.6	146.3	160.5	-60.8	-14.4	0	0	0	121.1
662	V	29.2	Very low	29.1	Very low	118 Å²	118	143.1 Å²	143.1	72%	0.715	77%	0.77	S	S	*	*			cis	-167.8	145.9	-39.3	118.1	0	0	0	0	109.8
663	S	27.3	Very low	28.6	Very low	94 Å²	94	143.4 Å²	143.4	66%	0.657	76%	0.762	S	S	*	*			trans	40.8	122.9	162.4	69.9	0	0	0	0	123.5
664	S	27.2	Very low	28.2	Very low	112 Å²	112	142.6 Å²	142.6	78%	0.783	76%	0.758	S	S	*	*				-167.6	132.2	122.4	10.6	0	0	0	0	108
665	F	28.4	Very low	27.6	Very low	187 Å²	187	144.2 Å²	144.2	82%	0.82	75%	0.754	S	S	*	*				56.2	127.4	65.8	-72.9	-70.5	0	0	0	112.4
666	Q	26.7	Very low	27.5	Very low	146 Å²	146	139.3 Å²	139.3	68%	0.682	75%	0.748	S	S	*	*			cis	-166.6	146	3.8	-175.4	173.6	-9.1	0	0	109.2
667	L	27.8	Very low	27.4	Very low	165 Å²	165	140.7 Å²	140.7	86%	0.864	75%	0.75	S	S	*	*				-173.4	167	120.1	-123.9	84.5	0	0	0	112.9
668	Q	25.1	Very low	27.2	Very low	154 Å²	154	142.1 Å²	142.1	72%	0.72	75%	0.753	S	S	*	*			trans	-156.8	134.3	-154.7	170	-169.5	1.4	0	0	111.8
669	Y	26.4	Very low	27	Very low	233 Å²	233	144.4 Å²	144.4	91%	0.914	76%	0.757	S	S	*	*			trans	-168.8	142.8	147.1	-90.1	-70.4	0	0	0	105
670	G	25.6	Very low	26.9	Very low	73 Å²	73	145 Å²	145	75%	0.753	77%	0.765	S	S	*	*			cis	121.1	129.8	21.1	0	0	0	0	0	107.4
671	S	24.7	Very low	26.6	Very low	111 Å²	111	145.9 Å²	145.9	78%	0.776	77%	0.771	S	S	*	*			cis	-157	169.3	16	-162.5	0	0	0	0	112.6
672	Y	26.1	Very low	26.6	Very low	211 Å²	211	142.6 Å²	142.6	83%	0.827	77%	0.77	S	S	*	*			trans	-26.5	169.9	169.1	-69.6	-82.4	0	0	0	120.5
673	N	25.5	Very low	26.6	Very low	121 Å²	121	145.4 Å²	145.4	65%	0.647	78%	0.775	S	S	*	*			cis	-166.6	157	28.5	-143.2	9	0	0	0	116
674	T	25.6	Very low	26.7	Very low	110 Å²	110	146.7 Å²	146.7	68%	0.675	78%	0.779	S	S	*	*			trans	49.2	157.5	145.8	48	0	0	0	0	122.3
675	E	25.1	Very low	26.6	Very low	168 Å²	168	151.7 Å²	151.7	79%	0.785	78%	0.782	S	S	*	*			cis	-138	136.2	8.2	-66.7	-173.8	139.1	0	0	110.7
676	T	25	Very low	26.7	Very low	113 Å²	113	150 Å²	150	69%	0.693	78%	0.782	S	S	*	*				70.3	137.2	93.5	86.9	0	0	0	0	120.8
677	H	27.1	Very low	26.7	Very low	166 Å²	166	152.7 Å²	152.7	77%	0.769	79%	0.787	S	S	*	*			trans	65.9	149.2	170.9	-72.4	-81.6	0	0	0	119
678	D	26.7	Very low	26.8	Very low	142 Å²	142	152.3 Å²	152.3	76%	0.759	78%	0.784	S	S	*	*			cis	-145.1	179.7	-0.3	-140.4	-3	0	0	0	114.2
679	K	27	Very low	27.1	Very low	190 Å²	190	149.5 Å²	149.5	83%	0.826	78%	0.779	S	S	*	*			trans	-99.4	150.3	-176.6	-61.7	172.3	-179.5	170.3	0	114.9
680	T	28.3	Very low	27.7	Very low	146 Å²	146	143.7 Å²	143.7	90%	0.896	77%	0.77	S	S	*	*				-171.9	137.5	128.8	20	0	0	0	0	112.3
681	D	25.7	Very low	28.3	Very low	162 Å²	162	145.8 Å²	145.8	87%	0.866	77%	0.77	S	S	*	*			trans	-85.5	156.2	168.1	-67.4	-70.1	0	0	0	111.8
682	G	28.6	Very low	28.5	Very low	73 Å²	73	147.2 Å²	147.2	75%	0.753	77%	0.774	S	S	*	*			trans	-174.2	59.2	-179.4	0	0	0	0	0	116.7
683	H	28.3	Very low	28.6	Very low	176 Å²	176	140.9 Å²	140.9	82%	0.815	77%	0.773	S	S	*	*			trans	-66.9	133.1	175.3	-67.3	-68.5	0	0	0	113.2
684	V	29.5	Very low	28.9	Very low	121 Å²	121	143.5 Å²	143.5	73%	0.733	78%	0.781	S	S	*	*			trans	-131.9	107.5	161.1	-179.6	0	0	0	0	109.7
685	Y	26.4	Very low	28.8	Very low	217 Å²	217	145.9 Å²	145.9	85%	0.851	79%	0.787	S	S	*	*			trans	-76	138.1	158	-87.7	-90.1	0	0	0	108.9
686	N	28.9	Very low	28.9	Very low	152 Å²	152	143.3 Å²	143.3	81%	0.813	79%	0.786	S	S	*	*			trans	-125.6	133.1	161	-104.2	-38.9	0	0	0	109.4
687	Y	26.9	Very low	29	Very low	202 Å²	202	147.1 Å²	147.1	79%	0.792	80%	0.796	S	S	*	*			trans	-141.3	116.1	-169.5	178.4	-78.7	0	0	0	108.2	P689	Y687-P689 HydrophobicContact CE1-CG 4.4Å
688	I	30	Very low	28.8	Very low	157 Å²	157	146.4 Å²	146.4	81%	0.805	80%	0.798	S	S	*	*			trans	-137.3	140.3	173.5	-65.2	-173.9	0	0	0	109.4
689	P	31.7	Very low	29.6	Very low	95 Å²	95	144.8 Å²	144.8	62%	0.617	80%	0.795	S	S	*	*			trans	-97.9	178.2	-166.1	-1.1	25.2	0	0	0	114.4	Y687	Y687-P689 HydrophobicContact CE1-CG 4.4Å
690	P	40	Very low	29.7	Very low	111 Å²	111	142.6 Å²	142.6	72%	0.721	79%	0.791	S	S	*	*			trans	-99.2	169.1	-172.8	39.5	-36.8	0	0	0	115
691	P	36.7	Very low	29.6	Very low	117 Å²	117	146.4 Å²	146.4	76%	0.76	79%	0.79	S	S	*	*			trans	-111.7	130.6	136	34.6	-26.7	0	0	0	109.4
692	V	29.9	Very low	29.6	Very low	142 Å²	142	146 Å²	146	86%	0.861	79%	0.785	S	S	*	*				58.3	110.4	67.8	-176.2	0	0	0	0	112.4
693	G	28	Very low	29.5	Very low	77 Å²	77	150.8 Å²	150.8	79%	0.794	79%	0.788	S	S	*	*			trans	-152.9	133.6	168.5	0	0	0	0	0	110.3
694	Q	31.1	Very low	29.4	Very low	177 Å²	177	151.1 Å²	151.1	83%	0.827	79%	0.787	S	S	*	*			trans	-147.9	114.6	-176.1	-157.2	174	16.2	0	0	112.2
695	M	24.5	Very low	29.2	Very low	160 Å²	160	152.8 Å²	152.8	79%	0.788	79%	0.787	S	S	*	*			trans	52.6	114.1	148.7	-66.9	-178.1	143.3	0	0	122.7
696	C	27.2	Very low	29.1	Very low	113 Å²	113	145.9 Å²	145.9	76%	0.764	78%	0.781	S	S	*	*				66.2	133.2	121.8	-54	0	0	0	0	122.8
697	Q	26.4	Very low	28.9	Very low	194 Å²	194	146.6 Å²	146.6	91%	0.907	79%	0.785	S	S	*	*			trans	-157.5	156.5	139.9	-111.7	168.4	37.5	0	0	111.8
698	N	23.6	Very low	30.3	Very low	151 Å²	151	142.4 Å²	142.4	81%	0.807	78%	0.782	S	S	*	*			trans	-130.7	-162.2	-174.6	-66.2	-19.5	0	0	0	109.2
699	P	43.4	Very low	30	Very low	107 Å²	107	142.2 Å²	142.2	70%	0.695	79%	0.789	S	S	*	*				-128.3	-162.4	-62.3	29.7	-8.3	0	0	0	113.5
700	I	28.7	Very low	29.7	Very low	144 Å²	144	141.5 Å²	141.5	74%	0.738	79%	0.791	S	S	*	*			trans	106.9	111.2	152	-56.6	159.4	0	0	0	118.6
701	Y	27.3	Very low	29.1	Very low	226 Å²	226	145.7 Å²	145.7	89%	0.886	79%	0.793	S	S	*	*				-159.4	177.8	117.5	-127.2	-94.6	0	0	0	111.5
702	M	25	Very low	28.6	Very low	154 Å²	154	148.1 Å²	148.1	76%	0.759	79%	0.789	S	S	*	*			trans	-112.3	156.9	-161.1	-83.7	-76.4	-148.2	0	0	116.7
703	Q	25.6	Very low	28.4	Very low	173 Å²	173	150.5 Å²	150.5	81%	0.808	78%	0.782	S	S	*	*			trans	52	131.8	149.1	-71.6	179.3	-49.6	0	0	122.1
704	K	25.9	Very low	28.3	Very low	184 Å²	184	152.1 Å²	152.1	80%	0.8	77%	0.773	S	S	*	*				-168.5	175.5	102.1	-109.9	-151.5	163.5	-134.1	0	116
705	E	26.3	Very low	28.2	Very low	156 Å²	156	151.4 Å²	151.4	73%	0.729	77%	0.774	S	S	*	*			trans	-86.8	174	-174.9	-40.4	108.3	127.7	0	0	114.4
706	G	24.9	Very low	28.3	Very low	71 Å²	71	150.2 Å²	150.2	73%	0.732	77%	0.766	S	S	*	*			trans	141.9	80.2	149	0	0	0	0	0	120.2
707	D	24.4	Very low	28.3	Very low	167 Å²	167	152.1 Å²	152.1	89%	0.893	76%	0.764	S	S	*	*			trans	42.6	160.5	142.3	-72	-17.9	0	0	0	125.6
708	P	54.9	Low	28.2	Very low	114 Å²	114	151.4 Å²	151.4	74%	0.74	76%	0.758	S	S	*	*			trans	-108.6	148.5	-173.2	39.9	-31.3	0	0	0	115.6
709	V	25.1	Very low	28.2	Very low	154 Å²	154	150.2 Å²	150.2	93%	0.933	76%	0.761	S	S	*	*			trans	-141.7	155.3	167.4	-173.4	0	0	0	0	110.2
710	A	25.8	Very low	27.4	Very low	80 Å²	80	154.9 Å²	154.9	66%	0.661	77%	0.767	S	S	*	*			trans	-125.6	-179.1	-169.7	0	0	0	0	0	114.2
711	Y	25.7	Very low	27.3	Very low	199 Å²	199	152.5 Å²	152.5	78%	0.78	76%	0.763	S	S	*	*			trans	70.2	154.8	177.8	-74.2	-88.7	0	0	0	115.7
712	Y	27.3	Very low	27.3	Very low	168 Å²	168	148.5 Å²	148.5	66%	0.659	76%	0.757	S	S	*	*			cis	-146.7	146	14.8	-124.6	-53	0	0	0	113.4
713	R	25.8	Very low	27.4	Very low	191 Å²	191	147 Å²	147	72%	0.721	75%	0.751	S	S	*	*			trans	37.2	144.3	141.9	-93.7	-176.6	170.4	143	-3.6	125.5
714	N	25.8	Very low	27.5	Very low	112 Å²	112	146.8 Å²	146.8	60%	0.599	75%	0.75	S	S	*	*			trans	93.9	109.2	131.3	-79.3	13.7	0	0	0	122.2
715	L	27.8	Very low	27.6	Very low	162 Å²	162	144.6 Å²	144.6	85%	0.848	74%	0.743	S	S	*	*				-156.2	122.1	109.8	-90.6	137.9	0	0	0	105.5
716	Q	28.6	Very low	27.6	Very low	135 Å²	135	145.2 Å²	145.2	63%	0.631	74%	0.743	S	S	*	*				55	133	67.7	-79.8	-166.5	-71.7	0	0	114.3
717	E	25.7	Very low	27.7	Very low	153 Å²	153	149.7 Å²	149.7	72%	0.715	74%	0.743	S	S	*	*			cis	-167.1	-173.1	-16.5	-146.9	160.2	-165.3	0	0	109.7
718	F	25.8	Very low	27.8	Very low	179 Å²	179	149.1 Å²	149.1	79%	0.785	73%	0.734	S	S	*	*			trans	110.7	97.9	167.3	-68.2	-67.3	0	0	0	118.2	Y720	F718-Y720 HydrophobicContact CD1-CE2 4.4Å; F718-Y720 HydrophobicContact CE1-CE2 4.35Å
719	S	23.5	Very low	26.4	Very low	125 Å²	125	152.5 Å²	152.5	87%	0.874	74%	0.74	S	S	*	*				-151.4	166.1	110.1	-161.4	0	0	0	0	110
720	Y	26.6	Very low	27.2	Very low	205 Å²	205	150.6 Å²	150.6	80%	0.804	73%	0.731	S	S	*	*			trans	-90.6	153.4	-164.5	-97.8	-104.1	0	0	0	115.5	F718	F718-Y720 HydrophobicContact CD1-CE2 4.4Å; F718-Y720 HydrophobicContact CE1-CE2 4.35Å
721	S	25.7	Very low	27.2	Very low	95 Å²	95	151 Å²	151	66%	0.664	73%	0.734	S	S	*	*			trans	-63.9	155.7	168.6	-42.4	0	0	0	0	112.4
722	N	27.4	Very low	27.1	Very low	142 Å²	142	147.8 Å²	147.8	76%	0.759	74%	0.736	S	S	*	*				168.2	163.8	92.8	-95.8	-20.9	0	0	0	108.6
723	L	26.9	Very low	27.8	Very low	122 Å²	122	145.2 Å²	145.2	64%	0.639	74%	0.74	S	S	*	*			cis	-160	142.8	12.8	-115.6	152	0	0	0	109.3
724	E	28.6	Very low	27.9	Very low	168 Å²	168	139.5 Å²	139.5	79%	0.785	73%	0.733	S	S	*	*			trans	51.1	158.6	147	-77.2	169.7	178.1	0	0	122.7
725	E	26.6	Very low	28.1	Very low	139 Å²	139	143.8 Å²	143.8	65%	0.65	74%	0.742	S	S	*	*			cis	-149.6	167.9	6.4	-137.1	-164.7	163.6	0	0	115.4
726	K	26.3	Very low	27.8	Very low	169 Å²	169	141.3 Å²	141.3	74%	0.735	73%	0.734	S	S	*	*			trans	-26.2	146.3	177.8	-61.5	154.5	-173	152.7	0	123.1
727	K	27.9	Very low	27.8	Very low	165 Å²	165	142.3 Å²	142.3	72%	0.717	74%	0.742	S	S	*	*				157.4	152.9	113.1	-90.1	-176	171	-77.9	0	110.4
728	E	25.3	Very low	27.7	Very low	154 Å²	154	140.1 Å²	140.1	72%	0.72	74%	0.744	S	S	*	*			cis	-169	158.8	-16.6	-111.9	162.9	-174.9	0	0	105.3
729	E	25.6	Very low	27.8	Very low	185 Å²	185	135 Å²	135	86%	0.864	73%	0.734	S	S	*	*			trans	-89.2	179	-178.9	-111.9	-172	-166.2	0	0	112.5
730	P	42	Very low	28.1	Very low	115 Å²	115	135.6 Å²	135.6	75%	0.747	73%	0.733	S	S	*	*			cis	-126.2	-160.9	23	37.8	-14.8	0	0	0	112.8
731	A	25.8	Very low	28.2	Very low	88 Å²	88	133.7 Å²	133.7	73%	0.727	73%	0.731	S	S	*	*			cis	-156.4	-167.8	16.8	0	0	0	0	0	114.4
732	T	25.3	Very low	28.2	Very low	131 Å²	131	135.8 Å²	135.8	80%	0.804	74%	0.735	S	S	*	*			trans	-144.1	-175.8	-173.6	60.1	0	0	0	0	110.2
733	P	41.3	Very low	28.1	Very low	115 Å²	115	136 Å²	136	75%	0.747	74%	0.735	S	S	*	*			cis	-112.9	-143.2	-7.2	31.2	-7.9	0	0	0	110.4
734	A	26.9	Very low	28.2	Very low	70 Å²	70	136.6 Å²	136.6	58%	0.579	73%	0.734	S	S	*	*			cis	-166.1	171.6	6.5	0	0	0	0	0	107.6
735	Y	29.6	Very low	28.1	Very low	202 Å²	202	135.9 Å²	135.9	79%	0.792	73%	0.728	S	S	*	*			cis	-153	142.7	-6.3	-84	-51.7	0	0	0	104.9
736	T	23.4	Very low	28.1	Very low	110 Å²	110	137.4 Å²	137.4	68%	0.675	74%	0.736	S	S	*	*				42.3	134.5	77.9	62.4	0	0	0	0	116.3
737	I	26.7	Very low	28	Very low	156 Å²	156	133.8 Å²	133.8	80%	0.8	74%	0.738	S	S	*	*			cis	-160.5	169	-3	-120.6	164.1	0	0	0	110.7
738	S	25.3	Very low	27.8	Very low	108 Å²	108	132.2 Å²	132.2	76%	0.755	74%	0.742	S	S	*	*			trans	-34.7	164.2	162.6	-176	0	0	0	0	117.4
739	A	28	Very low	28.4	Very low	70 Å²	70	129.8 Å²	129.8	58%	0.579	74%	0.739	S	S	*	*			cis	-179.2	172.5	-30.2	0	0	0	0	0	108.1
740	T	29.8	Very low	28.4	Very low	139 Å²	139	131.7 Å²	131.7	85%	0.853	74%	0.739	S	S	*	*			trans	62.5	145.2	171.7	51.9	0	0	0	0	115.5
741	E	27.3	Very low	27.7	Very low	164 Å²	164	134.9 Å²	134.9	77%	0.766	74%	0.744	S	S	*	*				-164.6	172.2	59.1	-113.2	-164.7	142.5	0	0	114.6
742	L	26.1	Very low	28.2	Very low	140 Å²	140	136.1 Å²	136.1	73%	0.733	74%	0.744	S	S	*	*			trans	77.7	155.5	147.6	-80	163.4	0	0	0	123.3
743	L	26.1	Very low	28.3	Very low	146 Å²	146	138.8 Å²	138.8	76%	0.764	75%	0.748	S	S	*	*			trans	-80.8	179	-179.2	-63.9	79.1	0	0	0	110.3
744	E	28.3	Very low	27.8	Very low	134 Å²	134	141 Å²	141	63%	0.626	75%	0.752	S	S	*	*			cis	-166.2	167.8	33.1	-145.1	-174.2	-179.8	0	0	112.6
745	K	27.6	Very low	27.8	Very low	153 Å²	153	144.8 Å²	144.8	67%	0.665	76%	0.762	S	S	*	*			trans	30.7	144.8	143.8	-82.4	173.9	-166.1	152.4	0	121.6
746	Q	26.2	Very low	27.8	Very low	171 Å²	171	145.3 Å²	145.3	80%	0.799	76%	0.764	S	S	*	*			cis	-172.9	-175.2	-6	-142.1	171.7	-21.9	0	0	109.5
747	A	22.8	Very low	28.1	Very low	94 Å²	94	147.1 Å²	147.1	78%	0.777	77%	0.765	S	S	*	*			trans	90.7	158.6	161.6	0	0	0	0	0	119.5
748	T	23.5	Very low	28.4	Very low	131 Å²	131	145.6 Å²	145.6	80%	0.804	76%	0.758	S	S	*	*			trans	-143.4	-157.1	-158.5	57.6	0	0	0	0	108.4
749	P	38.9	Very low	29	Very low	103 Å²	103	147.3 Å²	147.3	67%	0.669	76%	0.757	S	S	*	*			cis	-138.4	-161.9	-8.4	37.1	-14	0	0	0	115.4
750	R	24.8	Very low	29.3	Very low	225 Å²	225	147.5 Å²	147.5	85%	0.849	76%	0.759	S	S	*	*			trans	92.3	121.2	171.3	-58.3	172	172.7	157.9	-2.5	114.7
751	E	28.1	Very low	29.6	Very low	183 Å²	183	147.7 Å²	147.7	86%	0.855	75%	0.75	S	S	*	*			cis	72.9	149	32.6	-59.5	-165.3	154.9	0	0	115.3
752	P	36.1	Very low	29.7	Very low	113 Å²	113	149 Å²	149	73%	0.734	75%	0.748	S	S	*	*			cis	-133.5	-155.9	13.4	36.4	-13.6	0	0	0	115.5
753	E	26.9	Very low	29.9	Very low	188 Å²	188	147.7 Å²	147.7	88%	0.879	75%	0.746	S	S	*	*			trans	92.5	122	163.9	-54.9	-157.3	147.4	0	0	120.4
754	L	31.7	Very low	30.1	Very low	161 Å²	161	148.4 Å²	148.4	84%	0.843	74%	0.743	S	S	*	*			trans	-152.9	150.5	164.9	-103.6	175.3	0	0	0	109.3
755	L	27.4	Very low	30	Very low	150 Å²	150	149 Å²	149	79%	0.785	75%	0.745	S	S	*	*			trans	66.8	107.9	157.8	-68.3	164.2	0	0	0	120.7
756	Y	29.3	Very low	29.8	Very low	212 Å²	212	149.1 Å²	149.1	83%	0.831	75%	0.752	S	S	*	*			trans	-160.8	156.3	130.5	-99.5	-59.8	0	0	0	106.6
757	Q	30.3	Very low	30.2	Very low	149 Å²	149	145.7 Å²	145.7	70%	0.696	75%	0.745	S	S	*	*			cis	-153.1	155.2	-1.2	-162.2	145.6	35.5	0	0	105.6
758	N	31.9	Very low	30.3	Very low	123 Å²	123	145.8 Å²	145.8	66%	0.658	74%	0.74	S	S	*	*			cis	-148	-167.2	9	-138	-6.3	0	0	0	105.8
759	I	37.3	Very low	30.3	Very low	144 Å²	144	146.6 Å²	146.6	74%	0.738	75%	0.745	S	S	*	*			cis	-161.2	162	-4.1	-136.3	157.5	0	0	0	102.7
760	A	35.2	Very low	29.6	Very low	74 Å²	74	145.5 Å²	145.5	61%	0.612	75%	0.753	S	S	*	*			cis	-172.2	151.4	-27.9	0	0	0	0	0	103.6
761	E	35.5	Very low	29.5	Very low	144 Å²	144	142.8 Å²	142.8	67%	0.673	75%	0.754	S	S	*	*			cis	-164.2	-178.3	-0.9	-112	-173.4	139.7	0	0	105.7
762	R	30.1	Very low	29.4	Very low	190 Å²	190	139.8 Å²	139.8	72%	0.717	75%	0.748	S	S	*	*			cis	-161.3	175.6	8.8	-132.4	176.6	-122.5	-120.4	-11.2	108.4
763	V	29.3	Very low	28.7	Very low	113 Å²	113	142 Å²	142	69%	0.685	75%	0.748	S	S	*	*			trans	48.9	101.6	148.2	175.2	0	0	0	0	117.6
764	K	31.4	Very low	28.6	Very low	162 Å²	162	142.9 Å²	142.9	70%	0.704	75%	0.745	S	S	*	*				75.2	145.2	79	-77.2	-179.1	163.5	-136.1	0	114.2
765	E	25.7	Very low	28.3	Very low	146 Å²	146	141.4 Å²	141.4	68%	0.682	74%	0.738	S	S	*	*			cis	-151.2	-164.6	8.7	-140.8	143.6	-151.9	0	0	114.8
766	L	23.2	Very low	28.1	Very low	155 Å²	155	143.7 Å²	143.7	81%	0.812	74%	0.742	S	S	*	*			trans	-101.1	-170.3	-162	-90	79	0	0	0	114
767	P	34.9	Very low	27.9	Very low	99 Å²	99	138.8 Å²	138.8	64%	0.643	74%	0.737	S	S	*	*			cis	-143.2	166.4	-48.9	40.8	-23.9	0	0	0	117.2
768	S	25.6	Very low	27.7	Very low	96 Å²	96	138.6 Å²	138.6	67%	0.671	75%	0.747	S	S	*	*			trans	64.8	146.4	135.5	71.4	0	0	0	0	125.8
769	T	22.6	Very low	27.8	Very low	148 Å²	148	140.7 Å²	140.7	91%	0.908	76%	0.757	S	S	*	*			trans	76.9	137.2	161.5	70.3	0	0	0	0	119.7
770	G	24.2	Very low	27.4	Very low	81 Å²	81	139.6 Å²	139.6	84%	0.835	76%	0.759	S	S	*	*			trans	164.7	136.9	176.3	0	0	0	0	0	112.4
771	L	23.7	Very low	26.7	Very low	168 Å²	168	146.1 Å²	146.1	88%	0.88	77%	0.774	S	S	*	*			trans	-120.4	166.9	-170.2	-159.4	81.7	0	0	0	111.5
772	V	24.6	Very low	26.4	Very low	120 Å²	120	150.6 Å²	150.6	73%	0.727	79%	0.785	S	S	*	*			trans	95.2	147.2	160.6	-171.9	0	0	0	0	119.2
773	H	22.6	Very low	26	Very low	158 Å²	158	149.5 Å²	149.5	73%	0.731	79%	0.788	S	S	*	*			trans	-57.3	162.5	177.1	-72.3	5.6	0	0	0	116.7
774	Y	24.8	Very low	25.6	Very low	207 Å²	207	153.2 Å²	153.2	81%	0.812	80%	0.795	S	S	*	*				-175.3	-178.9	101.1	-99.3	-64.2	0	0	0	115
775	N	24.2	Very low	25.4	Very low	130 Å²	130	149.6 Å²	149.6	70%	0.695	80%	0.795	S	S	*	*			trans	-102.7	149	-156.3	-84.6	-35.3	0	0	0	116
776	F	24.7	Very low	25.6	Very low	198 Å²	198	148.1 Å²	148.1	87%	0.868	80%	0.798	S	S	*	*			trans	57.5	158.2	144.4	-87	-88.5	0	0	0	122.8
777	C	25.2	Very low	25.9	Very low	109 Å²	109	143.9 Å²	143.9	74%	0.736	78%	0.782	S	S	*	*			trans	-69.1	156.1	-166	-45.6	0	0	0	0	116.5
778	T	24.7	Very low	25.4	Very low	146 Å²	146	147.5 Å²	147.5	90%	0.896	78%	0.784	S	S	*	*			trans	-158.6	160.6	131.9	1.2	0	0	0	0	113.6
779	L	35.3	Very low	25.6	Very low	166 Å²	166	150.1 Å²	150.1	87%	0.869	79%	0.785	S	S	*	*			trans	-82.7	153.6	176.5	-70.3	139.1	0	0	0	112.6
780	P	27	Very low	25.9	Very low	122 Å²	122	147.1 Å²	147.1	79%	0.792	77%	0.77	S	S	*	*			trans	-104.3	147	150.8	34.8	-28.5	0	0	0	112.5
781	K	22	Very low	26	Very low	211 Å²	211	152.9 Å²	152.9	92%	0.917	77%	0.767	S	S	*	*			trans	-96.3	157.4	167.4	-78.6	179.6	177.1	174.1	0	110.7
782	R	28.5	Very low	26.3	Very low	238 Å²	238	154.8 Å²	154.8	90%	0.898	76%	0.762	S	S	*	*			trans	-52.8	157.4	169.9	-61.9	172.2	166.9	172.3	-5.5	112.4
783	Q	22.1	Very low	26.5	Very low	166 Å²	166	155.8 Å²	155.8	78%	0.776	76%	0.759	S	S	*	*				-174.7	140.1	106.1	-100	-177.3	4.7	0	0	116.7
784	F	20.1	Very low	26.8	Very low	192 Å²	192	154.1 Å²	154.1	84%	0.842	76%	0.756	S	S	*	*			trans	58.2	152.8	151.7	-75.4	-72.6	0	0	0	124.2
785	A	27.3	Very low	27	Very low	85 Å²	85	151.2 Å²	151.2	70%	0.702	75%	0.749	S	S	*	*			trans	-133.5	165.4	-173.1	0	0	0	0	0	112.2
786	P	31.1	Very low	27.3	Very low	115 Å²	115	150 Å²	150	75%	0.747	74%	0.743	S	S	*	*				-142.3	-174.6	129.8	28.9	-9.3	0	0	0	113.3
787	S	27.8	Very low	27.6	Very low	67 Å²	67	150.6 Å²	150.6	47%	0.469	74%	0.74	S	S	.	*				-179.7	176.2	-66.5	56.2	0	0	0	0	110.8	R284	R284-S787 PolarHBondContact NH1-OG 2.65Å; R284-S787 VanDerWaalsContact NH2-CB 3.34Å; R284-S787 PolarHBondContact NH2-OG 2.91Å
788	Y	25.8	Very low	28	Very low	174 Å²	174	151.9 Å²	151.9	68%	0.682	74%	0.737	S	S	*	*			trans	79.1	108	177.3	-77	-88.7	0	0	0	114.6
789	E	29.1	Very low	28.2	Very low	151 Å²	151	151.7 Å²	151.7	71%	0.706	73%	0.731	S	S	*	*				90.5	145	86.2	-96.8	-156.5	-131.2	0	0	112
790	S	28.7	Very low	28.1	Very low	85 Å²	85	152 Å²	152	59%	0.594	73%	0.726	S	S	*	*			cis	-149.8	-160.8	6.5	-137	0	0	0	0	107.6
791	R	27.2	Very low	28	Very low	203 Å²	203	152.1 Å²	152.1	77%	0.766	72%	0.724	S	S	*	*			cis	-166.4	136.2	8.7	-135.7	169.7	-155.1	-173.2	5.5	109.4
792	R	28.6	Very low	28.3	Very low	207 Å²	207	148.3 Å²	148.3	78%	0.781	72%	0.718	S	S	*	*			trans	65.2	158.3	155.2	-70	172.3	177.6	-164.4	0.3	118.5
793	Q	29.7	Very low	28.3	Very low	141 Å²	141	144.2 Å²	144.2	66%	0.659	71%	0.713	S	S	*	*			cis	-149.8	147.7	-0	-137.8	160.2	-57.8	0	0	112.3
794	N	28.8	Very low	28.5	Very low	123 Å²	123	147.6 Å²	147.6	66%	0.658	72%	0.721	S	S	*	*			trans	43.3	139.3	152	-68	24.6	0	0	0	121
795	Q	28.9	Very low	28.7	Very low	146 Å²	146	141.4 Å²	141.4	68%	0.682	71%	0.711	S	S	*	*			cis	-164.6	165.2	-0.8	-99.7	169.5	-95.1	0	0	105.8
796	D	31.4	Very low	28.8	Very low	105 Å²	105	144 Å²	144	56%	0.561	72%	0.718	S	S	*	*			cis	-153.2	156.7	-5.7	-111.6	-21.2	0	0	0	107.5
797	R	30.3	Very low	28.8	Very low	211 Å²	211	144.7 Å²	144.7	80%	0.796	72%	0.722	S	S	*	*				60.6	133.5	69.3	-62.9	-171	153.4	-156.6	-5.8	114.5
798	I	32.8	Very low	28.7	Very low	135 Å²	135	153.2 Å²	153.2	69%	0.692	74%	0.744	S	S	*	*			cis	-165.2	158.3	-6.7	-127.1	171.3	0	0	0	107.6
799	N	29.3	Very low	28.9	Very low	142 Å²	142	154.8 Å²	154.8	76%	0.759	76%	0.755	S	S	*	*			cis	-151.1	-168.4	-5.4	-160.9	2.6	0	0	0	109.4
800	K	33.6	Very low	28.6	Very low	174 Å²	174	153.9 Å²	153.9	76%	0.757	76%	0.764	S	S	*	*			trans	-109.1	152.6	165.5	-61.2	173.6	179.2	176.6	0	111.2
801	T	25.4	Very low	28.5	Very low	124 Å²	124	159.6 Å²	159.6	76%	0.761	78%	0.778	S	S	*	*				160	123.9	105.8	48.6	0	0	0	0	115.1
802	V	29.1	Very low	28.4	Very low	131 Å²	131	156.6 Å²	156.6	79%	0.794	78%	0.782	S	S	*	*				65.8	148.8	129.5	179.6	0	0	0	0	120.9
803	L	26.7	Very low	28.2	Very low	152 Å²	152	149.5 Å²	149.5	80%	0.796	77%	0.774	S	S	*	*			trans	74.1	114.6	172.5	-80.5	156.1	0	0	0	118.4
804	Y	26.7	Very low	28.2	Very low	237 Å²	237	152.4 Å²	152.4	93%	0.929	79%	0.788	S	S	*	*				-166.4	154.8	126.6	-89.4	-68.9	0	0	0	106.6
805	G	25.2	Very low	28.1	Very low	62 Å²	62	152.3 Å²	152.3	64%	0.639	80%	0.796	S	S	*	*			cis	118.4	105.2	6.8	0	0	0	0	0	110.5
806	T	29	Very low	28	Very low	139 Å²	139	154.7 Å²	154.7	85%	0.853	80%	0.804	S	S	*	*			trans	-66.8	126.3	-173.7	51.1	0	0	0	0	112.7	R808	T806-R808 PolarHBondContact O-N 2.94Å
807	P	30.4	Very low	28.5	Very low	129 Å²	129	154.4 Å²	154.4	84%	0.838	81%	0.808	S	S	*	*			trans	-81.7	115.4	176.5	31	-32.6	0	0	0	111.9
808	R	25.2	Very low	28.4	Very low	246 Å²	246	151.6 Å²	151.6	93%	0.928	81%	0.809	S	S	*	*			trans	-83.6	141.8	151.7	-90.1	-172.7	171	-174.5	-2	108.8	T806	T806-R808 PolarHBondContact O-N 2.94Å
809	K	31.2	Very low	28.3	Very low	207 Å²	207	153.8 Å²	153.8	90%	0.9	82%	0.816	S	S	*	*			trans	-68.6	140.6	177	-61.4	179.8	179.6	-178.8	0	110.7
810	C	23.4	Very low	29.1	Very low	133 Å²	133	151.6 Å²	151.6	90%	0.899	81%	0.81	S	S	*	*			trans	-123.2	166.8	162.8	-109.7	0	0	0	0	110
811	F	25.7	Very low	28.8	Very low	204 Å²	204	150.7 Å²	150.7	90%	0.895	81%	0.812	S	S	*	*			trans	-107.9	-173.8	-160.8	-118.4	-95	0	0	0	113.9
812	V	25.4	Very low	28.9	Very low	140 Å²	140	151.3 Å²	151.3	85%	0.848	81%	0.81	S	S	*	*			trans	93.3	124.6	172.1	-172.7	0	0	0	0	114.2
813	G	25.1	Very low	28.8	Very low	59 Å²	59	153.6 Å²	153.6	61%	0.608	81%	0.812	S	S	*	*			cis	169.3	179.9	-8	0	0	0	0	0	114.6
814	Q	29	Very low	28.8	Very low	202 Å²	202	150.5 Å²	150.5	94%	0.944	81%	0.808	S	S	*	*			trans	70.9	146.6	179.2	-45.6	-176.6	14.5	0	0	114.2
815	S	26.8	Very low	28.8	Very low	120 Å²	120	149.1 Å²	149.1	84%	0.839	81%	0.807	S	S	*	*			cis	-142.1	172.3	-0.3	55.4	0	0	0	0	112.5
816	K	27.3	Very low	29.8	Very low	196 Å²	196	151.2 Å²	151.2	85%	0.852	81%	0.809	S	S	*	*			trans	-99.1	179.7	177.3	-89.3	-175.2	178.3	-176.5	0	110.8
817	P	41.9	Very low	29.8	Very low	99 Å²	99	153.4 Å²	153.4	64%	0.643	81%	0.81	S	S	*	*			cis	-133.7	174.2	-14.9	27.2	-5.2	0	0	0	114.8
818	N	27.4	Very low	29.8	Very low	153 Å²	153	152.3 Å²	152.3	82%	0.818	81%	0.805	S	S	*	*				176.9	168.5	115.7	-89.2	-19.6	0	0	0	114.7
819	H	30.3	Very low	30.5	Very low	180 Å²	180	149.3 Å²	149.3	83%	0.833	80%	0.802	S	S	*	*			trans	-111.4	-173	-170.9	-81	-79.4	0	0	0	111
820	P	45.5	Very low	31.1	Very low	97 Å²	97	145.8 Å²	145.8	63%	0.63	80%	0.8	S	S	*	*			cis	-136.7	-164.5	-47.4	36.3	-16.9	0	0	0	113.1
821	L	28.8	Very low	31.8	Very low	154 Å²	154	145.4 Å²	145.4	81%	0.806	79%	0.789	S	S	*	*			trans	71.8	168.4	160.6	-59.3	163.1	0	0	0	117.7
822	L	27.8	Very low	32.3	Very low	138 Å²	138	144.7 Å²	144.7	72%	0.723	78%	0.782	S	S	*	*				-164.6	161	-52.7	-153.8	141.3	0	0	0	108
823	Q	26.6	Very low	33.2	Very low	179 Å²	179	143.9 Å²	143.9	84%	0.836	77%	0.772	S	S	*	*			trans	78	159.6	173.2	-48.1	-179.3	9.9	0	0	117.2
824	A	26.4	Very low	34.1	Very low	86 Å²	86	147.4 Å²	147.4	71%	0.711	77%	0.773	S	S	*	*			cis	-170.7	124.6	-42.4	0	0	0	0	0	112.8
825	K	26.8	Very low	34.8	Very low	208 Å²	208	142.3 Å²	142.3	90%	0.904	76%	0.755	S	S	*	*			trans	60.5	170.3	161.7	-83.7	-174.1	175.2	-176.7	0	118.1
826	P	46.1	Very low	35.6	Very low	106 Å²	106	142.3 Å²	142.3	69%	0.688	75%	0.745	S	S	*	*			cis	-127	-150	-38.8	37	-17.9	0	0	0	110.7
827	Q	29.2	Very low	36.5	Very low	185 Å²	185	140.7 Å²	140.7	86%	0.864	74%	0.741	S	S	*	*			trans	69	157.3	178.5	-58	-179.9	-16.6	0	0	114.8
828	S	30.2	Very low	36.6	Very low	106 Å²	106	143 Å²	143	74%	0.741	74%	0.741	S	S	*	*			cis	-163.5	169.5	-37	51.8	0	0	0	0	107.1
829	E	39	Very low	37.3	Very low	184 Å²	184	143.5 Å²	143.5	86%	0.86	74%	0.738	S	S	*	*			trans	-69.4	163.1	-176.9	-61.8	167.5	139.4	0	0	112.9
830	P	44.5	Very low	38	Very low	133 Å²	133	140.7 Å²	140.7	86%	0.864	73%	0.734	S	S	*	*				-139.1	-177.6	96.4	40.4	-27.9	0	0	0	115.4
831	D	37.3	Very low	38	Very low	124 Å²	124	140 Å²	140	66%	0.663	74%	0.737	S	S	*	*			trans	-99	166.3	-161.1	-167.8	12.9	0	0	0	114.7	L833	D831-L833 VanDerWaalsContact C-N 3.32Å; D831-L833 PolarHBondContact O-N 3.45Å
832	Y	36.6	Very low	38.8	Very low	189 Å²	189	140.3 Å²	140.3	74%	0.741	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-76.6	-9.8	-173.3	-170.8	-115.6	0	0	0	114.6	E834	Y832-E834 PolarHBondContact O-N 3.01Å
833	L	44.3	Very low	39.3	Very low	123 Å²	123	139 Å²	139	64%	0.644	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-69.2	-29.3	-170.6	-96.3	154	0	0	0	115.3	D831 V835 L836	D831-L833 VanDerWaalsContact C-N 3.32Å; D831-L833 PolarHBondContact O-N 3.45Å; L833-V835 PolarHBondContact O-N 2.96Å; L833-V835 VanDerWaalsContact O-N 3.16Å; L833-L836 PolarHBondContact O-N 3.25Å
834	E	44.1	Very low	40.1	Very low	134 Å²	134	139.7 Å²	139.7	63%	0.626	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-71.2	-10.5	-176.6	-147.8	-153	131.9	0	0	114.1	Y832 K838	Y832-E834 PolarHBondContact O-N 3.01Å; E834-K838 IonicContact OE1-NZ 3.89Å; E834-K838 PolarHBondContact OE1-NZ 3.02Å
835	V	43.4	Very low	40.6	Very low	95 Å²	95	147.4 Å²	147.4	58%	0.576	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-82.9	-28.8	179.8	-177.6	0	0	0	0	111.8	L833	L833-V835 PolarHBondContact O-N 2.96Å; L833-V835 VanDerWaalsContact O-N 3.16Å
836	L	43.8	Very low	41.3	Very low	120 Å²	120	144.4 Å²	144.4	63%	0.628	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-35.4	-170.3	-152.3	72.3	0	0	0	112.9	L833 K838 Q839	L833-L836 PolarHBondContact O-N 3.25Å; L836-K838 PolarHBondContact O-N 3.35Å; L836-Q839 PolarHBondContact O-N 3.25Å
837	E	46.9	Very low	41	Very low	162 Å²	162	146.4 Å²	146.4	76%	0.757	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-14.5	179.3	-66.3	-164.7	128.4	0	0	113.9
838	K	44	Very low	41.7	Very low	147 Å²	147	144.2 Å²	144.2	64%	0.639	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	1.9	178.9	-79	168.5	-179.3	154.7	0	114.5	E834 L836	E834-K838 IonicContact OE1-NZ 3.89Å; E834-K838 PolarHBondContact OE1-NZ 3.02Å; L836-K838 PolarHBondContact O-N 3.35Å
839	Q	42.5	Very low	42.3	Very low	163 Å²	163	146.5 Å²	146.5	76%	0.762	76%	0.764	S	S	*	*	S	Bend	trans	-101.7	-12.5	175.7	-82.5	-168.3	-44.9	0	0	115.5	L836	L836-Q839 PolarHBondContact O-N 3.25Å
840	T	44.7	Very low	42.6	Very low	122 Å²	122	144.1 Å²	144.1	75%	0.748	76%	0.758	S	S	*	*	S	Bend	trans	-89.3	-3.8	-179.1	40.1	0	0	0	0	114.7
841	A	44.8	Very low	42.4	Very low	83 Å²	83	144.9 Å²	144.9	69%	0.686	75%	0.751	S	S	*	*	S	Bend	trans	-99.6	1.3	-171.8	0	0	0	0	0	116.1
842	I	44.9	Very low	42.8	Very low	160 Å²	160	146.4 Å²	146.4	82%	0.821	76%	0.757	S	S	*	*	S	Bend	trans	-134.3	74	-179.3	-47.6	-179.1	0	0	0	111.4
843	S	40.1	Very low	43.3	Very low	110 Å²	110	143.1 Å²	143.1	77%	0.769	76%	0.758	S	S	*	*	S	Bend	trans	-152.2	26.3	158.8	59.3	0	0	0	0	114.1
844	Q	41.7	Very low	43.2	Very low	194 Å²	194	144.8 Å²	144.8	91%	0.907	77%	0.768	S	S	*	*			trans	-130.7	80.6	166.6	-73.5	-165.6	-7.7	0	0	110.8
845	L	37.2	Very low	43.1	Very low	247 Å²	247	145.7 Å²	145.7	100%	1.293	78%	0.781	S	S	*	*			trans	-156.4	0	156.1	-108.6	171.5	0	0	0	108.4

Retrieved 845 of 845 residues in 658 ms (Link to these results)

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