A0A096MVV4_PAPAN Loading...

Protein arginine N-methyltransferase 9

Arginine methyltransferase that can both catalyze the formation of omega-N monomethylarginine (MMA) and symmetrical dimethylarginine (sDMA). Specifically mediates the symmetrical dimethylation of SF3B2. Involved in the regulation of alternative splicing of pre-mRNA.

AlphaFold DB (A0A663D746), UniProt , Accession A0A096MVV4, Species PAPAN (Papio anubis, Olive baboon), Gene PRMT9, Length 845 aa.

						>A0A096MVV4_PAPAN|A0A096MVV4|PRMT9
MSNSRLRSRRDAGGGAGAAGRDELVSRSLQSAEHCLGVQDFGTAYAHYLLVLSLAPELKDNVKETFQYTLFRWAEELDALNRIQDLLGCYEQALELFPDDEVICNSMGEHLFRMGFRDEAAGYFHKAVKLNPDFSDAKENFYRVANWLVERWHFIMLNDTKRNTIYNAAIQKAVCLGSRSVLDIGAGTGILSMFAKKAGAHSVYACELSKTMYELACDVVAANKMEAGIKLLHMKSLDIEIPKHIPERVSLVVTETVDAGLFGEGIVESLIHAWEHLLLQPKTKGESCNCEKYGKVIPASAVIFGMAVECAEIRRQHRVGIKDIAGIHLPTNVKFQSPAYSSVDAEETVEPYTTEKMSRVPGGYLALTECFEIMTVDFNNLQELKSLATKKPDKIGIPVIKEGILDAIMVWFVLQLDDEHSLSTSPSEETCWEQAVYPVQDLTDYWIKPGDHVMMEVSCQDCYLRIQSISVLDLECEMDVARSFTQNKDLLSLGNEAELCSALANLQTSKPDAVEQTCVLESTEIALLNNIPYHEGFKMAMSKVLSSLTPEKLYQTMDTHCQNEMNSGTGQSNTVQNIPEPFYVLDVSEGFSILPLIAGTLGQVKPYSSVEKDQHRIALDLISEANHFPKETLEFWLRHVEDESAMLQRPKSDKLWSIIILDVIEPSGLIQQEIMEKAAISRCLLQSGGKIFPQYVLMFGLLVESQTLLEENAVQGTERTLGLNIAPFINQFQVPIRVFLDLSSLPCIPLSKPVELLRLDLMTPYLNTSKREVKVHICKSGRVTAIPFWYHMYLDEEIRLDTSSEASHWKQAAVVLDNPIQVEMGEELVLSVQHHKSNVSITVKQ
					

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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	32.7	Very low	34.9	Very low	241 Å²	241	181.6 Å²	181.6	100%	1.187	88%	0.876	S	S	*	*				0	142.4	0	-86.6	-178.9	167.1	0	0	109
2	S	32.3	Very low	35.6	Very low	116 Å²	116	174.8 Å²	174.8	81%	0.811	87%	0.872	S	S	*	*			trans	60.9	104.7	160.8	60.7	0	0	0	0	120.9
3	N	33.5	Very low	35.9	Very low	171 Å²	171	168.2 Å²	168.2	91%	0.914	88%	0.875	S	S	*	*			trans	-58	139.8	144.2	-87.7	-28	0	0	0	112
4	S	33.2	Very low	36.3	Very low	113 Å²	113	161.3 Å²	161.3	79%	0.79	87%	0.865	S	S	*	*			trans	-159.1	103.6	143.3	65.1	0	0	0	0	113.6
5	R	32.6	Very low	36.7	Very low	234 Å²	234	154.4 Å²	154.4	88%	0.883	85%	0.847	S	S	*	*			trans	44.8	118	136.5	-69.2	-176	177.9	-179.2	-0.4	122.7
6	L	38.7	Very low	37.5	Very low	157 Å²	157	150.5 Å²	150.5	82%	0.822	84%	0.842	S	S	*	*				62.1	111.4	127.1	-79	150.1	0	0	0	120.6
7	R	27	Very low	38.5	Very low	249 Å²	249	145.4 Å²	145.4	94%	0.94	83%	0.83	S	S	*	*			trans	-141.3	142.6	132.6	-99.2	-179.1	-178.3	-178.1	0.3	110.8
8	S	29.3	Very low	39.7	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	81%	0.807	S	S	*	*			trans	-68.2	152.8	-166.5	55.3	0	0	0	0	115.5
9	R	43.5	Very low	41	Very low	219 Å²	219	135.8 Å²	135.8	83%	0.826	79%	0.791	S	S	*	*			trans	-22.9	132.9	163.4	-77.9	179.2	167.6	171	-5.6	115.6
10	R	33.1	Very low	42.8	Very low	245 Å²	245	131.1 Å²	131.1	93%	0.925	77%	0.772	S	S	*	*			trans	-134.5	102.9	132.2	-89.1	-172.9	177.2	175.7	-1.8	108.4	A12	R10-A12 PolarHBondContact O-N 3.49Å
11	D	47.7	Very low	44.7	Very low	143 Å²	143	130.2 Å²	130.2	77%	0.765	76%	0.756	S	S	*	*			trans	-60.6	120.4	152.3	-72.8	-50.7	0	0	0	107.8
12	A	43.4	Very low	47.1	Very low	100 Å²	100	123.3 Å²	123.3	83%	0.826	72%	0.724	S	S	*	*			trans	-166.3	106	160	0	0	0	0	0	108.1	R10	R10-A12 PolarHBondContact O-N 3.49Å
13	G	39.3	Very low	49.8	Very low	89 Å²	89	122.8 Å²	122.8	92%	0.918	71%	0.709	S	S	*	*	S	Bend	trans	174.3	-0.6	174.2	0	0	0	0	0	117.6
14	G	42.3	Very low	52.4	Low	71 Å²	71	118.5 Å²	118.5	73%	0.732	69%	0.685	S	S	*	*	S	Bend	trans	-124.4	-8.8	-179.2	0	0	0	0	0	117
15	G	42.4	Very low	55.2	Low	58 Å²	58	113.7 Å²	113.7	60%	0.598	65%	0.651	S	S	*	*	S	Bend	trans	-95.7	-22.4	-164.8	0	0	0	0	0	117.8
16	A	49	Very low	58	Low	92 Å²	92	105.6 Å²	105.6	76%	0.76	63%	0.63	S	S	*	*	H	α-helix	trans	-82.8	-29.9	-171.5	0	0	0	0	0	114.1
17	G	55	Low	60.6	Low	63 Å²	63	105.2 Å²	105.2	65%	0.649	62%	0.618	S	S	*	*	H	α-helix	trans	-76.3	-31.4	179	0	0	0	0	0	113.7	R21	G17-R21 WeakPolarHBondContact O-CB 3.47Å; G17-R21 PolarHBondContact O-N 3.27Å
18	A	59.1	Low	63.8	Low	50 Å²	50	93.7 Å²	93.7	41%	0.413	58%	0.575	S	S	.	*	H	α-helix	trans	-70.4	-46.2	178.5	0	0	0	0	0	111.9	G20 R21 D22	A18-G20 PolarHBondContact O-N 3.12Å; A18-R21 WeakPolarHBondContact O-CB 3.41Å; A18-R21 PolarHBondContact O-N 3.1Å; A18-D22 VanDerWaalsContact O-CG 3.22Å; A18-D22 PolarHBondContact O-N 2.64Å
19	A	65.4	Low	66.8	Low	60 Å²	60	90.2 Å²	90.2	50%	0.496	55%	0.548	S	S	.	.	H	α-helix	trans	-63.3	-36.9	-179.8	0	0	0	0	0	113.6	E23	A19-E23 WeakPolarHBondContact O-CB 3.5Å; A19-E23 PolarHBondContact O-N 3.36Å; A19-E23 VanDerWaalsContact O-N 3.12Å
20	G	77.1	Confident	69.2	Low	41 Å²	41	85.5 Å²	85.5	42%	0.423	54%	0.535	S	S	.	.	H	α-helix	trans	-72.2	-33	176.2	0	0	0	0	0	113.3	A18 L24	A18-G20 PolarHBondContact O-N 3.12Å; G20-L24 WeakPolarHBondContact O-CB 3.48Å; G20-L24 PolarHBondContact O-N 3.2Å; G20-L24 VanDerWaalsContact O-N 3.1Å
21	R	82.1	Confident	72.2	Confident	112 Å²	112	76.1 Å²	76.1	42%	0.423	51%	0.507	S	S	.	.	H	α-helix	trans	-65.5	-48	172.5	177.6	-178.9	172	-160.2	-8	110.6	G17 A18 E23 L24 V25 L54	G17-R21 WeakPolarHBondContact O-CB 3.47Å; G17-R21 PolarHBondContact O-N 3.27Å; A18-R21 WeakPolarHBondContact O-CB 3.41Å; A18-R21 PolarHBondContact O-N 3.1Å; R21-E23 VanDerWaalsContact C-N 3.33Å; R21-E23 PolarHBondContact O-N 3.03Å; R21-L24 PolarHBondContact O-N 2.99Å; R21-V25 HydrophobicContact CG-CG2 4.48Å; R21-V25 VanDerWaalsContact O-CG2 3.29Å; R21-V25 WeakPolarHBondContact O-CG2 3.27Å; R21-V25 PolarHBondContact O-N 2.99Å; R21-L54 PolarHBondContact NE-O 2.97Å; R21-L54 PolarHBondContact NH2-O 2.71Å
22	D	83.4	Confident	74.4	Confident	97 Å²	97	69.3 Å²	69.3	52%	0.519	47%	0.471	S	S	.	.	H	α-helix	trans	-63.3	-39.2	-179.3	-62.4	-16.7	0	0	0	111.8	A18 V25 S26	A18-D22 VanDerWaalsContact O-CG 3.22Å; A18-D22 PolarHBondContact O-N 2.64Å; D22-V25 PolarHBondContact O-N 3.22Å; D22-S26 WeakPolarHBondContact O-CB 3.34Å; D22-S26 PolarHBondContact O-N 3.14Å
23	E	88.1	Confident	76.8	Confident	105 Å²	105	69.8 Å²	69.8	49%	0.491	46%	0.456	S	S	.	.	H	α-helix	trans	-66	-41	174.8	-172	176.6	-176.1	0	0	112.3	A19 R21 S26 R27	A19-E23 WeakPolarHBondContact O-CB 3.5Å; A19-E23 PolarHBondContact O-N 3.36Å; A19-E23 VanDerWaalsContact O-N 3.12Å; R21-E23 VanDerWaalsContact C-N 3.33Å; R21-E23 PolarHBondContact O-N 3.03Å; E23-S26 PolarHBondContact O-N 3.5Å; E23-R27 WeakPolarHBondContact O-CB 3.47Å; E23-R27 WeakPolarHBondContact O-CG 3.44Å; E23-R27 PolarHBondContact O-N 3.1Å; E23-R27 IonicContact OE1-CZ 3.33Å; E23-R27 IonicContact OE1-NE 2.97Å; E23-R27 PolarHBondContact OE1-NE 3.2Å; E23-R27 IonicContact OE1-NH2 2.67Å; E23-R27 PolarHBondContact OE1-NH2 3Å
24	L	89.9	Confident	79.4	Confident	81 Å²	81	71.8 Å²	71.8	42%	0.424	44%	0.441	S	S	.	.	H	α-helix	trans	-66	-41.3	176.7	-179.9	61.2	0	0	0	111.7	G20 R21 S28 L54	G20-L24 WeakPolarHBondContact O-CB 3.48Å; G20-L24 PolarHBondContact O-N 3.2Å; G20-L24 VanDerWaalsContact O-N 3.1Å; R21-L24 PolarHBondContact O-N 2.99Å; L24-S28 VanDerWaalsContact O-CB 3.28Å; L24-S28 WeakPolarHBondContact O-CB 3.29Å; L24-S28 PolarHBondContact O-N 3.48Å; L24-S28 PolarHBondContact O-OG 3.42Å; L24-L54 HydrophobicContact CD2-CD1 3.64Å; L24-L54 HydrophobicContact CG-CD1 4.06Å
25	V	91.4	Very high	81.9	Confident	12 Å²	12	69.1 Å²	69.1	7%	0.073	41%	0.411	C	S	.	.	H	α-helix	trans	-61.9	-48.7	175.9	168.8	0	0	0	0	110.1	R21 D22 R27 S28 L29 V51 L54 A55 L58	R21-V25 HydrophobicContact CG-CG2 4.48Å; R21-V25 VanDerWaalsContact O-CG2 3.29Å; R21-V25 WeakPolarHBondContact O-CG2 3.27Å; R21-V25 PolarHBondContact O-N 2.99Å; D22-V25 PolarHBondContact O-N 3.22Å; V25-R27 PolarHBondContact O-N 3.32Å; V25-S28 PolarHBondContact O-N 3.49Å; V25-L29 WeakPolarHBondContact O-CB 3.25Å; V25-L29 PolarHBondContact O-N 2.91Å; V25-V51 HydrophobicContact CG1-CG1 4.3Å; V25-L54 HydrophobicContact CG2-CB 3.76Å; V25-L54 HydrophobicContact CG2-CD1 4.46Å; V25-A55 HydrophobicContact CG1-CB 3.85Å; V25-A55 HydrophobicContact CG2-CB 3.91Å; V25-L58 HydrophobicContact CG1-CD1 3.6Å
26	S	91.2	Very high	84.3	Confident	64 Å²	64	67.9 Å²	67.9	45%	0.448	39%	0.391	S	S	.	.	H	α-helix	trans	-62.5	-41.8	179.8	-178	0	0	0	0	112.8	D22 E23 Q30	D22-S26 WeakPolarHBondContact O-CB 3.34Å; D22-S26 PolarHBondContact O-N 3.14Å; E23-S26 PolarHBondContact O-N 3.5Å; S26-Q30 WeakPolarHBondContact O-CG 3.34Å; S26-Q30 PolarHBondContact O-N 2.76Å; S26-Q30 VanDerWaalsContact O-N 3.16Å
27	R	93.1	Very high	86.3	Confident	149 Å²	149	66.6 Å²	66.6	56%	0.562	39%	0.386	S	S	*	.	H	α-helix	trans	-66.6	-43.5	175.7	-73.5	179.8	-175.7	-161	4.2	111.9	E23 V25 L29 Q30 S31	E23-R27 WeakPolarHBondContact O-CB 3.47Å; E23-R27 WeakPolarHBondContact O-CG 3.44Å; E23-R27 PolarHBondContact O-N 3.1Å; E23-R27 IonicContact OE1-CZ 3.33Å; E23-R27 IonicContact OE1-NE 2.97Å; E23-R27 PolarHBondContact OE1-NE 3.2Å; E23-R27 IonicContact OE1-NH2 2.67Å; E23-R27 PolarHBondContact OE1-NH2 3Å; V25-R27 PolarHBondContact O-N 3.32Å; R27-L29 VanDerWaalsContact C-N 3.31Å; R27-L29 PolarHBondContact O-N 2.67Å; R27-Q30 PolarHBondContact O-N 3.17Å; R27-S31 PolarHBondContact O-N 3Å; R27-S31 PolarHBondContact O-OG 3.24Å
28	S	93.7	Very high	88.2	Confident	6 Å²	6	68 Å²	68	4%	0.042	38%	0.382	C	S	.	.	H	α-helix	trans	-65.6	-36.8	-179.5	-54	0	0	0	0	111.5	L24 V25 S31 A32	L24-S28 VanDerWaalsContact O-CB 3.28Å; L24-S28 WeakPolarHBondContact O-CB 3.29Å; L24-S28 PolarHBondContact O-N 3.48Å; L24-S28 PolarHBondContact O-OG 3.42Å; V25-S28 PolarHBondContact O-N 3.49Å; S28-S31 PolarHBondContact O-N 3.21Å; S28-A32 WeakPolarHBondContact O-CB 3.45Å; S28-A32 PolarHBondContact O-N 3.29Å
29	L	93.3	Very high	89.8	Confident	37 Å²	37	71.9 Å²	71.9	19%	0.194	39%	0.392	C	S	.	.	H	α-helix	trans	-64.7	-45.8	174.4	-175.4	62.2	0	0	0	111.5	V25 R27 S31 A32 E33 Y48 V51 V62	V25-L29 WeakPolarHBondContact O-CB 3.25Å; V25-L29 PolarHBondContact O-N 2.91Å; R27-L29 VanDerWaalsContact C-N 3.31Å; R27-L29 PolarHBondContact O-N 2.67Å; L29-S31 VanDerWaalsContact C-N 3.3Å; L29-S31 PolarHBondContact O-N 3.4Å; L29-A32 WeakPolarHBondContact O-CB 3.34Å; L29-A32 PolarHBondContact O-N 3.27Å; L29-E33 WeakPolarHBondContact O-CG 3.08Å; L29-E33 PolarHBondContact O-N 3.49Å; L29-Y48 HydrophobicContact CD1-CD1 4.48Å; L29-Y48 HydrophobicContact CD1-CE1 3.93Å; L29-V51 HydrophobicContact CB-CG2 4.13Å; L29-V62 HydrophobicContact CD1-CG1 3.85Å
30	Q	93.8	Very high	91.3	Very high	121 Å²	121	72.2 Å²	72.2	57%	0.565	39%	0.385	S	S	*	.	H	α-helix	trans	-60.5	-39.4	174.2	-74.5	176.8	-2.5	0	0	112.4	S26 R27 H34	S26-Q30 WeakPolarHBondContact O-CG 3.34Å; S26-Q30 PolarHBondContact O-N 2.76Å; S26-Q30 VanDerWaalsContact O-N 3.16Å; R27-Q30 PolarHBondContact O-N 3.17Å; Q30-H34 WeakPolarHBondContact O-CB 3.09Å; Q30-H34 PolarHBondContact O-N 2.87Å
31	S	95.2	Very high	92.2	Very high	47 Å²	47	70.4 Å²	70.4	33%	0.329	37%	0.366	S	S	.	.	H	α-helix	trans	-64.8	-42.4	174.4	-68.1	0	0	0	0	111.8	R27 S28 L29 H34 C35	R27-S31 PolarHBondContact O-N 3Å; R27-S31 PolarHBondContact O-OG 3.24Å; S28-S31 PolarHBondContact O-N 3.21Å; L29-S31 VanDerWaalsContact C-N 3.3Å; L29-S31 PolarHBondContact O-N 3.4Å; S31-H34 PolarHBondContact O-N 3.06Å; S31-C35 WeakPolarHBondContact O-CB 2.9Å; S31-C35 PolarHBondContact O-N 3.17Å; S31-C35 PolarHBondContact O-SG 3Å
32	A	94.3	Very high	92.8	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-59.6	-48.6	176	0	0	0	0	0	111.6	S28 L29 H34 C35 L36 H47 Y48	S28-A32 WeakPolarHBondContact O-CB 3.45Å; S28-A32 PolarHBondContact O-N 3.29Å; L29-A32 WeakPolarHBondContact O-CB 3.34Å; L29-A32 PolarHBondContact O-N 3.27Å; A32-H34 PolarHBondContact O-N 3.21Å; A32-C35 PolarHBondContact O-N 2.71Å; A32-L36 WeakPolarHBondContact O-CB 3.48Å; A32-L36 PolarHBondContact O-N 2.99Å; A32-H47 HydrophobicContact CB-CB 3.73Å; A32-Y48 HydrophobicContact CB-CD1 4.01Å; A32-Y48 HydrophobicContact CB-CD2 3.86Å; A32-Y48 HydrophobicContact CB-CE1 3.9Å; A32-Y48 HydrophobicContact CB-CE2 3.76Å; A32-Y48 HydrophobicContact CB-CG 3.97Å
33	E	92.8	Very high	93.3	Very high	110 Å²	110	63.8 Å²	63.8	51%	0.514	34%	0.344	S	S	.	.	H	α-helix	trans	-63.1	-39.6	177.9	-70.2	174	176.4	0	0	112.3	L29 G37	L29-E33 WeakPolarHBondContact O-CG 3.08Å; L29-E33 PolarHBondContact O-N 3.49Å; E33-G37 PolarHBondContact O-N 2.98Å
34	H	95.3	Very high	93.7	Very high	131 Å²	131	58.8 Å²	58.8	61%	0.606	32%	0.321	S	S	*	.	H	α-helix	trans	-65.4	-48.9	176.4	-178.3	69.2	0	0	0	112.1	Q30 S31 A32 L36 G37 V38	Q30-H34 WeakPolarHBondContact O-CB 3.09Å; Q30-H34 PolarHBondContact O-N 2.87Å; S31-H34 PolarHBondContact O-N 3.06Å; A32-H34 PolarHBondContact O-N 3.21Å; H34-L36 VanDerWaalsContact C-N 3.29Å; H34-L36 PolarHBondContact O-N 3.38Å; H34-G37 PolarHBondContact O-N 3.43Å; H34-G37 VanDerWaalsContact O-N 3.14Å; H34-V38 PolarHBondContact O-N 3.26Å
35	C	94.3	Very high	94	Very high	16 Å²	16	55.3 Å²	55.3	11%	0.108	30%	0.302	C	S	.	.	H	α-helix	trans	-58.6	-42.4	176.6	-73.6	0	0	0	0	111.1	S31 A32 G37 V38 Q39 D40 A44	S31-C35 WeakPolarHBondContact O-CB 2.9Å; S31-C35 PolarHBondContact O-N 3.17Å; S31-C35 PolarHBondContact O-SG 3Å; A32-C35 PolarHBondContact O-N 2.71Å; C35-G37 VanDerWaalsContact C-N 3.33Å; C35-G37 PolarHBondContact O-N 3.42Å; C35-V38 CarbonylContact O-C 3.51Å; C35-V38 VanDerWaalsContact O-CG2 3.24Å; C35-V38 WeakPolarHBondContact O-CG2 3.01Å; C35-V38 PolarHBondContact O-N 2.96Å; C35-Q39 PolarHBondContact O-N 2.87Å; C35-Q39 VanDerWaalsContact O-N 3.15Å; C35-D40 HydrophobicContact CB-CB 4.37Å; C35-D40 PolarHBondContact O-N 2.87Å; C35-A44 HydrophobicContact CB-CB 3.7Å
36	L	92.3	Very high	94.3	Very high	32 Å²	32	57.5 Å²	57.5	17%	0.168	32%	0.321	C	S	.	.	H	α-helix	trans	-60.5	-42	175.5	-174.6	60.9	0	0	0	112.1	A32 H34 V38 Q39 F41 A44 Y68	A32-L36 WeakPolarHBondContact O-CB 3.48Å; A32-L36 PolarHBondContact O-N 2.99Å; H34-L36 VanDerWaalsContact C-N 3.29Å; H34-L36 PolarHBondContact O-N 3.38Å; L36-V38 VanDerWaalsContact C-N 3.29Å; L36-V38 PolarHBondContact O-N 3.23Å; L36-Q39 PolarHBondContact O-N 3.15Å; L36-Q39 VanDerWaalsContact O-N 3.13Å; L36-F41 HydrophobicContact CD1-CD1 3.78Å; L36-F41 HydrophobicContact CD1-CE1 3.8Å; L36-A44 HydrophobicContact CB-CB 4.37Å; L36-Y68 HydrophobicContact CD1-CD1 3.94Å; L36-Y68 HydrophobicContact CD1-CE1 3.9Å
37	G	91.6	Very high	94.5	Very high	65 Å²	65	57 Å²	57	67%	0.67	31%	0.312	S	S	*	.	H	α-helix	trans	-64.7	-28.5	177.6	0	0	0	0	0	114.5	E33 H34 C35	E33-G37 PolarHBondContact O-N 2.98Å; H34-G37 PolarHBondContact O-N 3.43Å; H34-G37 VanDerWaalsContact O-N 3.14Å; C35-G37 VanDerWaalsContact C-N 3.33Å; C35-G37 PolarHBondContact O-N 3.42Å
38	V	94.8	Very high	94.6	Very high	92 Å²	92	50 Å²	50	56%	0.558	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	7.2	174.7	-58.6	0	0	0	0	113.4	H34 C35 L36 D40	H34-V38 PolarHBondContact O-N 3.26Å; C35-V38 CarbonylContact O-C 3.51Å; C35-V38 VanDerWaalsContact O-CG2 3.24Å; C35-V38 WeakPolarHBondContact O-CG2 3.01Å; C35-V38 PolarHBondContact O-N 2.96Å; L36-V38 VanDerWaalsContact C-N 3.29Å; L36-V38 PolarHBondContact O-N 3.23Å; V38-D40 VanDerWaalsContact C-N 3.28Å; V38-D40 HydrophobicContact CG2-CB 4.13Å; V38-D40 PolarHBondContact O-N 3.33Å
39	Q	93.8	Very high	94.7	Very high	132 Å²	132	51.1 Å²	51.1	62%	0.617	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	29	-178.5	-53.9	-177.6	5.5	0	0	114.2	C35 L36 F41	C35-Q39 PolarHBondContact O-N 2.87Å; C35-Q39 VanDerWaalsContact O-N 3.15Å; L36-Q39 PolarHBondContact O-N 3.15Å; L36-Q39 VanDerWaalsContact O-N 3.13Å; Q39-F41 HydrophobicContact CB-CE2 3.86Å; Q39-F41 HydrophobicContact CB-CZ 3.83Å; Q39-F41 HydrophobicContact CG-CZ 4.08Å; Q39-F41 WeakPolarHBondContact O-CD2 3.43Å; Q39-F41 PolarHBondContact O-N 2.76Å
40	D	95.3	Very high	94.7	Very high	67 Å²	67	52.5 Å²	52.5	36%	0.358	30%	0.298	S	S	.	.			trans	-91.1	79.6	167.6	-178.5	-5.6	0	0	0	109.2	C35 V38 T43 A44	C35-D40 HydrophobicContact CB-CB 4.37Å; C35-D40 PolarHBondContact O-N 2.87Å; V38-D40 VanDerWaalsContact C-N 3.28Å; V38-D40 HydrophobicContact CG2-CB 4.13Å; V38-D40 PolarHBondContact O-N 3.33Å; D40-T43 VanDerWaalsContact CG-OG1 3.23Å; D40-T43 WeakPolarHBondContact OD1-CB 3.42Å; D40-T43 PolarHBondContact OD1-N 3.44Å; D40-T43 VanDerWaalsContact OD1-N 3.13Å; D40-T43 PolarHBondContact OD1-OG1 2.91Å; D40-T43 VanDerWaalsContact OD2-CB 3.27Å; D40-T43 WeakPolarHBondContact OD2-CB 3.5Å; D40-T43 PolarHBondContact OD2-OG1 2.9Å; D40-A44 VanDerWaalsContact O-CB 3.29Å; D40-A44 WeakPolarHBondContact O-CB 3.19Å; D40-A44 PolarHBondContact O-N 3.29Å; D40-A44 VanDerWaalsContact O-N 3.08Å
41	F	95.8	Very high	94.7	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.009	27%	0.271	C	S	.	.	H	α-helix	trans	-70.1	-34.3	-172.1	-55.1	-72.6	0	0	0	112.7	L36 Q39 A44 Y45 Y68 R72 W73 E76	L36-F41 HydrophobicContact CD1-CD1 3.78Å; L36-F41 HydrophobicContact CD1-CE1 3.8Å; Q39-F41 HydrophobicContact CB-CE2 3.86Å; Q39-F41 HydrophobicContact CB-CZ 3.83Å; Q39-F41 HydrophobicContact CG-CZ 4.08Å; Q39-F41 WeakPolarHBondContact O-CD2 3.43Å; Q39-F41 PolarHBondContact O-N 2.76Å; F41-A44 PolarHBondContact O-N 2.69Å; F41-Y45 VanDerWaalsContact O-CB 3.23Å; F41-Y45 WeakPolarHBondContact O-CB 3.18Å; F41-Y45 PolarHBondContact O-N 2.9Å; F41-Y68 HydrophobicContact CE1-CE1 4.18Å; F41-R72 HydrophobicContact CB-CB 4.35Å; F41-R72 HydrophobicContact CD1-CB 3.48Å; F41-R72 VanDerWaalsContact CD1-CB 3.48Å; F41-R72 HydrophobicContact CD1-CG 4.14Å; F41-R72 HydrophobicContact CD2-CB 3.92Å; F41-R72 HydrophobicContact CE1-CB 3.61Å; F41-R72 HydrophobicContact CE1-CG 3.81Å; F41-R72 HydrophobicContact CE2-CB 4.03Å; F41-R72 HydrophobicContact CG-CB 3.65Å; F41-R72 HydrophobicContact CZ-CB 3.88Å; F41-R72 HydrophobicContact CZ-CG 4.08Å; F41-W73 HydrophobicContact CB-CB 3.88Å; F41-W73 HydrophobicContact CB-CE3 4.26Å; F41-E76 WeakPolarHBondContact CD2-OE1 3.19Å; F41-E76 WeakPolarHBondContact CE2-OE1 3.5Å
42	G	94.7	Very high	94.7	Very high	15 Å²	15	44.6 Å²	44.6	16%	0.155	26%	0.256	C	S	.	.	H	α-helix	trans	-64.7	-45.5	178.7	0	0	0	0	0	112.8	Y45 A46 W73	G42-Y45 PolarHBondContact O-N 2.85Å; G42-A46 PolarHBondContact O-N 3.17Å; G42-A46 VanDerWaalsContact O-N 3.16Å; G42-W73 VanDerWaalsContact CA-CE2 3.5Å
43	T	95.4	Very high	94.4	Very high	56 Å²	56	48.1 Å²	48.1	34%	0.344	28%	0.281	S	S	.	.	H	α-helix	trans	-70.1	-38.8	176.3	-52.8	0	0	0	0	111.2	D40 Y45 A46 H47	D40-T43 VanDerWaalsContact CG-OG1 3.23Å; D40-T43 WeakPolarHBondContact OD1-CB 3.42Å; D40-T43 PolarHBondContact OD1-N 3.44Å; D40-T43 VanDerWaalsContact OD1-N 3.13Å; D40-T43 PolarHBondContact OD1-OG1 2.91Å; D40-T43 VanDerWaalsContact OD2-CB 3.27Å; D40-T43 WeakPolarHBondContact OD2-CB 3.5Å; D40-T43 PolarHBondContact OD2-OG1 2.9Å; T43-Y45 PolarHBondContact O-N 3.16Å; T43-A46 PolarHBondContact O-N 2.95Å; T43-H47 PolarHBondContact O-CD2 2.78Å; T43-H47 VanDerWaalsContact O-CD2 3.27Å; T43-H47 PolarHBondContact O-N 2.88Å; T43-H47 VanDerWaalsContact O-N 3.07Å
44	A	96.1	Very high	94.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.5	-45.9	174.5	0	0	0	0	0	111.6	C35 L36 D40 F41 A46 H47 Y48 T69	C35-A44 HydrophobicContact CB-CB 3.7Å; L36-A44 HydrophobicContact CB-CB 4.37Å; D40-A44 VanDerWaalsContact O-CB 3.29Å; D40-A44 WeakPolarHBondContact O-CB 3.19Å; D40-A44 PolarHBondContact O-N 3.29Å; D40-A44 VanDerWaalsContact O-N 3.08Å; F41-A44 PolarHBondContact O-N 2.69Å; A44-A46 PolarHBondContact O-N 2.97Å; A44-H47 PolarHBondContact O-N 3.23Å; A44-Y48 VanDerWaalsContact O-CD2 3.23Å; A44-Y48 WeakPolarHBondContact O-CD2 3.44Å; A44-Y48 PolarHBondContact O-N 3Å; A44-T69 HydrophobicContact CB-CG2 3.67Å
45	Y	96.9	Very high	94.1	Very high	8 Å²	8	39 Å²	39	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-58	-47.8	177.5	177.3	-105.6	0	0	0	111.7	F41 G42 T43 H47 Y48 L49 F66 L70 C89	F41-Y45 VanDerWaalsContact O-CB 3.23Å; F41-Y45 WeakPolarHBondContact O-CB 3.18Å; F41-Y45 PolarHBondContact O-N 2.9Å; G42-Y45 PolarHBondContact O-N 2.85Å; T43-Y45 PolarHBondContact O-N 3.16Å; Y45-H47 VanDerWaalsContact C-N 3.34Å; Y45-H47 PolarHBondContact O-N 3.28Å; Y45-Y48 PolarHBondContact O-N 3.31Å; Y45-L49 HydrophobicContact CD1-CD1 4.01Å; Y45-L49 HydrophobicContact CD1-CG 4.4Å; Y45-L49 HydrophobicContact CE1-CD1 3.36Å; Y45-L49 HydrophobicContact CE1-CG 3.94Å; Y45-L49 HydrophobicContact CE2-CD1 4.48Å; Y45-L49 HydrophobicContact CE2-CD2 4.24Å; Y45-L49 HydrophobicContact CE2-CG 4.22Å; Y45-L49 WeakPolarHBondContact O-CG 3.44Å; Y45-L49 PolarHBondContact O-N 2.73Å; Y45-F66 AromaticContact CD2-CE2 3.8Å; Y45-F66 HydrophobicContact CD2-CE2 3.8Å; Y45-F66 HydrophobicContact CD2-CZ 4.36Å; Y45-F66 AromaticContact CE2-CE2 3.54Å; Y45-F66 HydrophobicContact CE2-CE2 3.54Å; Y45-F66 AromaticContact CE2-CZ 3.67Å; Y45-F66 HydrophobicContact CE2-CZ 3.67Å; Y45-L70 HydrophobicContact CD2-CB 4.34Å; Y45-L70 HydrophobicContact CD2-CD1 4.3Å; Y45-L70 HydrophobicContact CE2-CB 4.28Å; Y45-L70 HydrophobicContact CE2-CD1 3.72Å; Y45-C89 HydrophobicContact CE1-CB 4.01Å; Y45-C89 WeakPolarHBondContact OH-CA 3.3Å; Y45-C89 PolarHBondContact OH-O 3.47Å
46	A	96	Very high	93.9	Very high	57 Å²	57	41.1 Å²	41.1	47%	0.471	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-40.4	177.4	0	0	0	0	0	112.8	G42 T43 A44 L49 L50	G42-A46 PolarHBondContact O-N 3.17Å; G42-A46 VanDerWaalsContact O-N 3.16Å; T43-A46 PolarHBondContact O-N 2.95Å; A44-A46 PolarHBondContact O-N 2.97Å; A46-L49 PolarHBondContact O-N 2.95Å; A46-L50 PolarHBondContact O-N 2.83Å; A46-L50 VanDerWaalsContact O-N 3.12Å
47	H	96.1	Very high	93.8	Very high	53 Å²	53	45.6 Å²	45.6	25%	0.245	27%	0.274	C	S	.	.	H	α-helix	trans	-67.3	-39.6	175.2	-79.7	-61.4	0	0	0	112.5	A32 T43 A44 Y45 L50 V51	A32-H47 HydrophobicContact CB-CB 3.73Å; T43-H47 PolarHBondContact O-CD2 2.78Å; T43-H47 VanDerWaalsContact O-CD2 3.27Å; T43-H47 PolarHBondContact O-N 2.88Å; T43-H47 VanDerWaalsContact O-N 3.07Å; A44-H47 PolarHBondContact O-N 3.23Å; Y45-H47 VanDerWaalsContact C-N 3.34Å; Y45-H47 PolarHBondContact O-N 3.28Å; H47-L50 PolarHBondContact O-N 3.27Å; H47-V51 WeakPolarHBondContact O-CG2 3.42Å; H47-V51 PolarHBondContact O-N 3.07Å
48	Y	96.3	Very high	93.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-42.1	173.9	-79.9	-62	0	0	0	112.5	L29 A32 A44 Y45 L50 V51 L52 V62 F66 T69	L29-Y48 HydrophobicContact CD1-CD1 4.48Å; L29-Y48 HydrophobicContact CD1-CE1 3.93Å; A32-Y48 HydrophobicContact CB-CD1 4.01Å; A32-Y48 HydrophobicContact CB-CD2 3.86Å; A32-Y48 HydrophobicContact CB-CE1 3.9Å; A32-Y48 HydrophobicContact CB-CE2 3.76Å; A32-Y48 HydrophobicContact CB-CG 3.97Å; A44-Y48 VanDerWaalsContact O-CD2 3.23Å; A44-Y48 WeakPolarHBondContact O-CD2 3.44Å; A44-Y48 PolarHBondContact O-N 3Å; Y45-Y48 PolarHBondContact O-N 3.31Å; Y48-L50 VanDerWaalsContact C-N 3.27Å; Y48-L50 PolarHBondContact O-N 3.12Å; Y48-V51 PolarHBondContact O-N 2.86Å; Y48-V51 VanDerWaalsContact O-N 3.17Å; Y48-L52 WeakPolarHBondContact O-CB 3.28Å; Y48-L52 VanDerWaalsContact O-CG 3.27Å; Y48-L52 WeakPolarHBondContact O-CG 3.34Å; Y48-L52 PolarHBondContact O-N 3.49Å; Y48-V62 HydrophobicContact CD1-CB 4.44Å; Y48-V62 HydrophobicContact CE1-CB 4.22Å; Y48-F66 HydrophobicContact CG-CD2 4.19Å; Y48-T69 HydrophobicContact CD2-CG2 4.21Å; Y48-T69 HydrophobicContact CE2-CG2 4.4Å; Y48-T69 WeakPolarHBondContact CE2-OG1 3.37Å
49	L	94.9	Very high	93.5	Very high	31 Å²	31	42.8 Å²	42.8	16%	0.162	24%	0.237	C	C	.	.	H	α-helix	trans	-57.8	-41.6	174	-73.7	-177.6	0	0	0	111.9	Y45 A46 L52 S53 F66 Q92 L96	Y45-L49 HydrophobicContact CD1-CD1 4.01Å; Y45-L49 HydrophobicContact CD1-CG 4.4Å; Y45-L49 HydrophobicContact CE1-CD1 3.36Å; Y45-L49 HydrophobicContact CE1-CG 3.94Å; Y45-L49 HydrophobicContact CE2-CD1 4.48Å; Y45-L49 HydrophobicContact CE2-CD2 4.24Å; Y45-L49 HydrophobicContact CE2-CG 4.22Å; Y45-L49 WeakPolarHBondContact O-CG 3.44Å; Y45-L49 PolarHBondContact O-N 2.73Å; A46-L49 PolarHBondContact O-N 2.95Å; L49-L52 PolarHBondContact O-N 3.42Å; L49-S53 WeakPolarHBondContact O-CB 3.36Å; L49-S53 PolarHBondContact O-N 3.04Å; L49-S53 PolarHBondContact O-OG 3.48Å; L49-F66 HydrophobicContact CD2-CE2 3.98Å; L49-F66 HydrophobicContact CD2-CZ 3.99Å; L49-F66 HydrophobicContact CG-CE2 4.45Å; L49-Q92 VanDerWaalsContact CD1-OE1 3.23Å; L49-Q92 HydrophobicContact CD2-CB 4.45Å; L49-L96 HydrophobicContact CD2-CD1 3.4Å; L49-L96 VanDerWaalsContact CD2-CD1 3.4Å
50	L	93.8	Very high	93.3	Very high	66 Å²	66	43.2 Å²	43.2	35%	0.346	24%	0.244	S	C	.	.	H	α-helix	trans	-64.6	-43.9	176	-176.6	62.5	0	0	0	111.6	A46 H47 Y48 S53 L54	A46-L50 PolarHBondContact O-N 2.83Å; A46-L50 VanDerWaalsContact O-N 3.12Å; H47-L50 PolarHBondContact O-N 3.27Å; Y48-L50 VanDerWaalsContact C-N 3.27Å; Y48-L50 PolarHBondContact O-N 3.12Å; L50-S53 WeakPolarHBondContact CA-OG 3.42Å; L50-S53 PolarHBondContact O-OG 3.17Å; L50-L54 HydrophobicContact CD1-CD1 3.66Å; L50-L54 HydrophobicContact CD1-CG 4Å; L50-L54 HydrophobicContact CG-CD1 3.87Å; L50-L54 HydrophobicContact CG-CG 4.47Å; L50-L54 VanDerWaalsContact O-CB 3.27Å; L50-L54 WeakPolarHBondContact O-CB 3.38Å; L50-L54 VanDerWaalsContact O-CG 3.25Å; L50-L54 WeakPolarHBondContact O-CG 3.5Å; L50-L54 PolarHBondContact O-N 3.43Å
51	V	94.2	Very high	93.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.6	-47.5	176	168.5	0	0	0	0	110.9	V25 L29 H47 Y48 L54 A55 L58	V25-V51 HydrophobicContact CG1-CG1 4.3Å; L29-V51 HydrophobicContact CB-CG2 4.13Å; H47-V51 WeakPolarHBondContact O-CG2 3.42Å; H47-V51 PolarHBondContact O-N 3.07Å; Y48-V51 PolarHBondContact O-N 2.86Å; Y48-V51 VanDerWaalsContact O-N 3.17Å; V51-L54 CarbonylContact O-C 3.55Å; V51-L54 PolarHBondContact O-N 3.3Å; V51-A55 PolarHBondContact O-N 2.87Å; V51-L58 HydrophobicContact CG1-CD1 4.03Å
52	L	93.3	Very high	92.9	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-70.6	-32	-175.8	-71.1	169.7	0	0	0	113.4	Y48 L49 K59 V62 F66 L96 F97	Y48-L52 WeakPolarHBondContact O-CB 3.28Å; Y48-L52 VanDerWaalsContact O-CG 3.27Å; Y48-L52 WeakPolarHBondContact O-CG 3.34Å; Y48-L52 PolarHBondContact O-N 3.49Å; L49-L52 PolarHBondContact O-N 3.42Å; L52-K59 HydrophobicContact CD2-CB 4.37Å; L52-K59 HydrophobicContact CD2-CG 3.72Å; L52-V62 HydrophobicContact CD2-CG2 3.54Å; L52-V62 HydrophobicContact CG-CG2 4.18Å; L52-F66 HydrophobicContact CD1-CB 4.47Å; L52-F66 HydrophobicContact CD1-CD1 4.2Å; L52-F66 HydrophobicContact CD1-CD2 3.75Å; L52-F66 HydrophobicContact CD1-CE1 4.37Å; L52-F66 HydrophobicContact CD1-CE2 3.91Å; L52-F66 HydrophobicContact CD1-CG 3.86Å; L52-F66 HydrophobicContact CD1-CZ 4.22Å; L52-L96 HydrophobicContact CB-CD1 3.89Å; L52-L96 HydrophobicContact CB-CD2 4.37Å; L52-L96 HydrophobicContact CD1-CD1 4.01Å; L52-F97 HydrophobicContact CD1-CE2 3.65Å; L52-F97 HydrophobicContact CD1-CZ 4.03Å; L52-F97 HydrophobicContact CD2-CE2 4.36Å; L52-F97 HydrophobicContact CD2-CZ 3.93Å
53	S	89.5	Confident	92.9	Very high	74 Å²	74	48.8 Å²	48.8	52%	0.517	27%	0.267	S	S	.	.	H	α-helix	trans	-74.2	-36.8	172.8	58.6	0	0	0	0	112.2	L49 L50	L49-S53 WeakPolarHBondContact O-CB 3.36Å; L49-S53 PolarHBondContact O-N 3.04Å; L49-S53 PolarHBondContact O-OG 3.48Å; L50-S53 WeakPolarHBondContact CA-OG 3.42Å; L50-S53 PolarHBondContact O-OG 3.17Å
54	L	90.5	Very high	92.8	Very high	47 Å²	47	53.7 Å²	53.7	25%	0.246	29%	0.286	C	S	.	.	H	α-helix	trans	-85	-22.2	179.7	-68.7	179.1	0	0	0	113.9	R21 L24 V25 L50 V51	R21-L54 PolarHBondContact NE-O 2.97Å; R21-L54 PolarHBondContact NH2-O 2.71Å; L24-L54 HydrophobicContact CD2-CD1 3.64Å; L24-L54 HydrophobicContact CG-CD1 4.06Å; V25-L54 HydrophobicContact CG2-CB 3.76Å; V25-L54 HydrophobicContact CG2-CD1 4.46Å; L50-L54 HydrophobicContact CD1-CD1 3.66Å; L50-L54 HydrophobicContact CD1-CG 4Å; L50-L54 HydrophobicContact CG-CD1 3.87Å; L50-L54 HydrophobicContact CG-CG 4.47Å; L50-L54 VanDerWaalsContact O-CB 3.27Å; L50-L54 WeakPolarHBondContact O-CB 3.38Å; L50-L54 VanDerWaalsContact O-CG 3.25Å; L50-L54 WeakPolarHBondContact O-CG 3.5Å; L50-L54 PolarHBondContact O-N 3.43Å; V51-L54 CarbonylContact O-C 3.55Å; V51-L54 PolarHBondContact O-N 3.3Å
55	A	90.9	Very high	92.6	Very high	2 Å²	2	56.3 Å²	56.3	2%	0.017	30%	0.303	C	S	.	.			trans	-144.4	75.7	-179.1	0	0	0	0	0	110.9	V25 V51 E57 L58	V25-A55 HydrophobicContact CG1-CB 3.85Å; V25-A55 HydrophobicContact CG2-CB 3.91Å; V51-A55 PolarHBondContact O-N 2.87Å; A55-E57 PolarHBondContact O-N 3.38Å; A55-E57 VanDerWaalsContact O-N 3.1Å; A55-L58 HydrophobicContact CB-CD1 3.9Å; A55-L58 HydrophobicContact CB-CG 4.12Å; A55-L58 WeakPolarHBondContact O-CB 3.48Å; A55-L58 PolarHBondContact O-N 2.77Å
56	P	89.5	Confident	92.6	Very high	62 Å²	62	56 Å²	56	40%	0.403	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-57.8	-24.4	-179.5	-25	35.3	0	0	0	114.2	L58 K59	P56-L58 PolarHBondContact O-N 2.87Å; P56-K59 VanDerWaalsContact O-CB 3.3Å; P56-K59 WeakPolarHBondContact O-CB 3.22Å; P56-K59 WeakPolarHBondContact O-CD 3.28Å; P56-K59 WeakPolarHBondContact O-CG 3.46Å; P56-K59 PolarHBondContact O-N 3.46Å
57	E	89.9	Confident	92.6	Very high	126 Å²	126	54.4 Å²	54.4	59%	0.589	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-63.3	-16.8	174.8	62.4	-87.3	-160.2	0	0	114.2	A55	A55-E57 PolarHBondContact O-N 3.38Å; A55-E57 VanDerWaalsContact O-N 3.1Å
58	L	90.3	Very high	92.5	Very high	40 Å²	40	57.5 Å²	57.5	21%	0.209	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-88.7	-4.3	176.5	-65	178.8	0	0	0	113.5	V25 V51 A55 P56 D60 N61 V62	V25-L58 HydrophobicContact CG1-CD1 3.6Å; V51-L58 HydrophobicContact CG1-CD1 4.03Å; A55-L58 HydrophobicContact CB-CD1 3.9Å; A55-L58 HydrophobicContact CB-CG 4.12Å; A55-L58 WeakPolarHBondContact O-CB 3.48Å; A55-L58 PolarHBondContact O-N 2.77Å; P56-L58 PolarHBondContact O-N 2.87Å; L58-D60 VanDerWaalsContact C-N 3.33Å; L58-D60 PolarHBondContact O-N 2.88Å; L58-N61 WeakPolarHBondContact O-CB 3.13Å; L58-N61 PolarHBondContact O-N 3.47Å; L58-V62 PolarHBondContact O-N 3.32Å
59	K	90.3	Very high	92.5	Very high	57 Å²	57	57.4 Å²	57.4	25%	0.248	29%	0.294	C	S	.	.	H	α-helix	trans	-47.8	-51.3	-175.9	-85.1	177.2	-179.7	-165.2	0	113	L52 P56 N61 V62 K63 L96 F97	L52-K59 HydrophobicContact CD2-CB 4.37Å; L52-K59 HydrophobicContact CD2-CG 3.72Å; P56-K59 VanDerWaalsContact O-CB 3.3Å; P56-K59 WeakPolarHBondContact O-CB 3.22Å; P56-K59 WeakPolarHBondContact O-CD 3.28Å; P56-K59 WeakPolarHBondContact O-CG 3.46Å; P56-K59 PolarHBondContact O-N 3.46Å; K59-N61 VanDerWaalsContact C-N 3.31Å; K59-N61 PolarHBondContact O-N 3.29Å; K59-V62 PolarHBondContact O-N 3.07Å; K59-K63 WeakPolarHBondContact O-CB 3.1Å; K59-K63 PolarHBondContact O-N 3.3Å; K59-L96 WeakPolarHBondContact CE-O 3.48Å; K59-L96 PolarHBondContact NZ-O 2.92Å; K59-F97 HydrophobicContact CB-CE1 3.85Å; K59-F97 HydrophobicContact CB-CZ 4.23Å; K59-F97 HydrophobicContact CD-CE1 4.37Å; K59-F97 HydrophobicContact CG-CE1 3.94Å; K59-F97 HydrophobicContact CG-CZ 4.04Å
60	D	89.6	Confident	92.6	Very high	142 Å²	142	55.9 Å²	55.9	76%	0.759	29%	0.286	S	S	*	.	H	α-helix	trans	-67.2	-32.3	-177.7	-61.9	-30.1	0	0	0	112.6	L58	L58-D60 VanDerWaalsContact C-N 3.33Å; L58-D60 PolarHBondContact O-N 2.88Å
61	N	91	Very high	92.7	Very high	129 Å²	129	55 Å²	55	69%	0.69	28%	0.28	S	S	*	.	H	α-helix	trans	-73.5	-32.2	-177.8	-66.3	-25.2	0	0	0	112.8	L58 K59	L58-N61 WeakPolarHBondContact O-CB 3.13Å; L58-N61 PolarHBondContact O-N 3.47Å; K59-N61 VanDerWaalsContact C-N 3.31Å; K59-N61 PolarHBondContact O-N 3.29Å
62	V	92.7	Very high	92.7	Very high	9 Å²	9	59 Å²	59	6%	0.055	30%	0.295	C	S	.	.	H	α-helix	trans	-109.2	2.3	-175.6	-53.5	0	0	0	0	113	L29 Y48 L52 L58 K59 E64 T65 F66	L29-V62 HydrophobicContact CD1-CG1 3.85Å; Y48-V62 HydrophobicContact CD1-CB 4.44Å; Y48-V62 HydrophobicContact CE1-CB 4.22Å; L52-V62 HydrophobicContact CD2-CG2 3.54Å; L52-V62 HydrophobicContact CG-CG2 4.18Å; L58-V62 PolarHBondContact O-N 3.32Å; K59-V62 PolarHBondContact O-N 3.07Å; V62-E64 PolarHBondContact O-N 2.89Å; V62-T65 WeakPolarHBondContact CA-OG1 3.38Å; V62-T65 PolarHBondContact O-N 3.4Å; V62-T65 PolarHBondContact O-OG1 3.45Å; V62-F66 VanDerWaalsContact O-CB 3.24Å; V62-F66 WeakPolarHBondContact O-CB 3.29Å; V62-F66 PolarHBondContact O-N 3.44Å
63	K	92.9	Very high	92.9	Very high	62 Å²	62	61.2 Å²	61.2	27%	0.27	30%	0.303	S	S	.	.	H	α-helix	trans	-51.6	-57.1	-175.4	-173.4	-176.6	-178	-171.3	0	112	K59 T65 F66 Q67 F97 D100	K59-K63 WeakPolarHBondContact O-CB 3.1Å; K59-K63 PolarHBondContact O-N 3.3Å; K63-T65 PolarHBondContact O-N 3.24Å; K63-F66 PolarHBondContact O-N 2.93Å; K63-Q67 WeakPolarHBondContact O-CB 3.29Å; K63-Q67 WeakPolarHBondContact O-CG 3.38Å; K63-Q67 PolarHBondContact O-N 3.43Å; K63-F97 HydrophobicContact CB-CE1 4.45Å; K63-F97 HydrophobicContact CG-CE1 4.2Å; K63-D100 WeakPolarHBondContact CE-OD2 3.42Å; K63-D100 IonicContact NZ-OD2 3.7Å; K63-D100 PolarHBondContact NZ-OD2 3.09Å
64	E	93.1	Very high	93.1	Very high	159 Å²	159	57.7 Å²	57.7	74%	0.743	28%	0.279	S	S	*	.	H	α-helix	trans	-62.1	-43.3	-176.9	-64.9	-179.1	178.6	0	0	112	V62 Q67 Y68	V62-E64 PolarHBondContact O-N 2.89Å; E64-Q67 PolarHBondContact O-N 2.89Å; E64-Y68 WeakPolarHBondContact O-CB 3.36Å; E64-Y68 PolarHBondContact O-N 2.99Å
65	T	93.8	Very high	93.1	Very high	56 Å²	56	60.6 Å²	60.6	34%	0.344	29%	0.291	S	S	.	.	H	α-helix	trans	-68.2	-34.9	177.8	43.1	0	0	0	0	112.8	V62 K63 T69	V62-T65 WeakPolarHBondContact CA-OG1 3.38Å; V62-T65 PolarHBondContact O-N 3.4Å; V62-T65 PolarHBondContact O-OG1 3.45Å; K63-T65 PolarHBondContact O-N 3.24Å; T65-T69 WeakPolarHBondContact O-CB 3.26Å; T65-T69 PolarHBondContact O-N 3.02Å; T65-T69 PolarHBondContact O-OG1 3.43Å
66	F	95.8	Very high	93.2	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-68.6	-47.2	175.4	174.4	-105.5	0	0	0	111.1	Y45 Y48 L49 L52 V62 K63 Y68 T69 L70 A93 F97 I103	Y45-F66 AromaticContact CD2-CE2 3.8Å; Y45-F66 HydrophobicContact CD2-CE2 3.8Å; Y45-F66 HydrophobicContact CD2-CZ 4.36Å; Y45-F66 AromaticContact CE2-CE2 3.54Å; Y45-F66 HydrophobicContact CE2-CE2 3.54Å; Y45-F66 AromaticContact CE2-CZ 3.67Å; Y45-F66 HydrophobicContact CE2-CZ 3.67Å; Y48-F66 HydrophobicContact CG-CD2 4.19Å; L49-F66 HydrophobicContact CD2-CE2 3.98Å; L49-F66 HydrophobicContact CD2-CZ 3.99Å; L49-F66 HydrophobicContact CG-CE2 4.45Å; L52-F66 HydrophobicContact CD1-CB 4.47Å; L52-F66 HydrophobicContact CD1-CD1 4.2Å; L52-F66 HydrophobicContact CD1-CD2 3.75Å; L52-F66 HydrophobicContact CD1-CE1 4.37Å; L52-F66 HydrophobicContact CD1-CE2 3.91Å; L52-F66 HydrophobicContact CD1-CG 3.86Å; L52-F66 HydrophobicContact CD1-CZ 4.22Å; V62-F66 VanDerWaalsContact O-CB 3.24Å; V62-F66 WeakPolarHBondContact O-CB 3.29Å; V62-F66 PolarHBondContact O-N 3.44Å; K63-F66 PolarHBondContact O-N 2.93Å; F66-Y68 PolarHBondContact O-N 3.46Å; F66-T69 PolarHBondContact O-N 2.86Å; F66-L70 WeakPolarHBondContact O-CB 3.46Å; F66-L70 PolarHBondContact O-N 3.48Å; F66-A93 HydrophobicContact CE1-CB 3.87Å; F66-A93 HydrophobicContact CZ-CB 3.95Å; F66-F97 AromaticContact CD1-CD2 3.94Å; F66-F97 HydrophobicContact CD1-CD2 3.94Å; F66-F97 AromaticContact CD1-CE2 3.42Å; F66-F97 HydrophobicContact CD1-CE2 3.42Å; F66-F97 VanDerWaalsContact CD1-CE2 3.42Å; F66-F97 HydrophobicContact CD1-CZ 4.31Å; F66-F97 AromaticContact CE1-CD2 3.75Å; F66-F97 HydrophobicContact CE1-CD2 3.75Å; F66-F97 AromaticContact CE1-CE2 3.59Å; F66-F97 HydrophobicContact CE1-CE2 3.59Å; F66-F97 HydrophobicContact CG-CE2 4.22Å; F66-F97 HydrophobicContact CZ-CE2 4.49Å; F66-I103 HydrophobicContact CE1-CD1 4.39Å
67	Q	95.4	Very high	93.4	Very high	25 Å²	25	61 Å²	61	12%	0.117	29%	0.287	C	S	.	.	H	α-helix	trans	-55.2	-51.8	174.5	-75.3	176.2	-21.2	0	0	111	K63 E64 T69 L70 F71 D100 I103	K63-Q67 WeakPolarHBondContact O-CB 3.29Å; K63-Q67 WeakPolarHBondContact O-CG 3.38Å; K63-Q67 PolarHBondContact O-N 3.43Å; E64-Q67 PolarHBondContact O-N 2.89Å; Q67-T69 VanDerWaalsContact C-N 3.32Å; Q67-T69 PolarHBondContact O-N 3.08Å; Q67-L70 WeakPolarHBondContact O-CB 3.47Å; Q67-L70 PolarHBondContact O-N 3.39Å; Q67-F71 HydrophobicContact CB-CE2 3.9Å; Q67-F71 HydrophobicContact CB-CZ 3.98Å; Q67-F71 HydrophobicContact CG-CZ 4.35Å; Q67-F71 VanDerWaalsContact O-CD2 3.26Å; Q67-F71 WeakPolarHBondContact O-CD2 3.48Å; Q67-F71 WeakPolarHBondContact O-CG 3.41Å; Q67-F71 PolarHBondContact O-N 2.91Å; Q67-D100 VanDerWaalsContact NE2-CG 3.29Å; Q67-D100 PolarHBondContact NE2-OD1 3.38Å; Q67-D100 VanDerWaalsContact NE2-OD1 3.08Å; Q67-D100 PolarHBondContact NE2-OD2 3.49Å; Q67-I103 HydrophobicContact CG-CD1 4.23Å; Q67-I103 HydrophobicContact CG-CG1 4.13Å
68	Y	94.7	Very high	93.3	Very high	117 Å²	117	57.2 Å²	57.2	46%	0.459	27%	0.271	S	S	.	.	H	α-helix	trans	-56.7	-45.7	177	177.6	-96.1	0	0	0	112	L36 F41 E64 F66 L70 F71 R72	L36-Y68 HydrophobicContact CD1-CD1 3.94Å; L36-Y68 HydrophobicContact CD1-CE1 3.9Å; F41-Y68 HydrophobicContact CE1-CE1 4.18Å; E64-Y68 WeakPolarHBondContact O-CB 3.36Å; E64-Y68 PolarHBondContact O-N 2.99Å; F66-Y68 PolarHBondContact O-N 3.46Å; Y68-L70 PolarHBondContact O-N 3.31Å; Y68-F71 PolarHBondContact O-N 2.93Å; Y68-R72 HydrophobicContact CD1-CG 4.27Å; Y68-R72 HydrophobicContact CD2-CG 4.38Å; Y68-R72 HydrophobicContact CE1-CG 3.86Å; Y68-R72 HydrophobicContact CE2-CG 3.98Å; Y68-R72 VanDerWaalsContact O-CG 3.26Å; Y68-R72 WeakPolarHBondContact O-CG 3.24Å; Y68-R72 PolarHBondContact O-N 3.27Å
69	T	96.4	Very high	93.1	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.1	-43.2	179	-55	0	0	0	0	111.8	A44 Y48 T65 F66 Q67 W73	A44-T69 HydrophobicContact CB-CG2 3.67Å; Y48-T69 HydrophobicContact CD2-CG2 4.21Å; Y48-T69 HydrophobicContact CE2-CG2 4.4Å; Y48-T69 WeakPolarHBondContact CE2-OG1 3.37Å; T65-T69 WeakPolarHBondContact O-CB 3.26Å; T65-T69 PolarHBondContact O-N 3.02Å; T65-T69 PolarHBondContact O-OG1 3.43Å; F66-T69 PolarHBondContact O-N 2.86Å; Q67-T69 VanDerWaalsContact C-N 3.32Å; Q67-T69 PolarHBondContact O-N 3.08Å; T69-W73 VanDerWaalsContact O-CB 3.3Å; T69-W73 WeakPolarHBondContact O-CB 3.27Å; T69-W73 PolarHBondContact O-N 2.91Å
70	L	97	Very high	93.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-59.3	-48.6	176.2	171	63.9	0	0	0	111.1	Y45 F66 Q67 Y68 W73 A74 C89 Y90 A93 I103	Y45-L70 HydrophobicContact CD2-CB 4.34Å; Y45-L70 HydrophobicContact CD2-CD1 4.3Å; Y45-L70 HydrophobicContact CE2-CB 4.28Å; Y45-L70 HydrophobicContact CE2-CD1 3.72Å; F66-L70 WeakPolarHBondContact O-CB 3.46Å; F66-L70 PolarHBondContact O-N 3.48Å; Q67-L70 WeakPolarHBondContact O-CB 3.47Å; Q67-L70 PolarHBondContact O-N 3.39Å; Y68-L70 PolarHBondContact O-N 3.31Å; L70-W73 PolarHBondContact O-N 3.45Å; L70-A74 WeakPolarHBondContact O-CB 3.29Å; L70-A74 PolarHBondContact O-N 3.32Å; L70-C89 HydrophobicContact CD1-CB 3.85Å; L70-Y90 HydrophobicContact CD2-CD1 3.97Å; L70-Y90 HydrophobicContact CD2-CE1 3.92Å; L70-Y90 HydrophobicContact CG-CD1 4.48Å; L70-Y90 HydrophobicContact CG-CE1 4.19Å; L70-A93 HydrophobicContact CD2-CB 3.56Å; L70-I103 HydrophobicContact CD2-CD1 4.47Å; L70-I103 HydrophobicContact CD2-CG1 4.31Å; L70-I103 HydrophobicContact CD2-CG2 4.17Å
71	F	95.2	Very high	93.1	Very high	46 Å²	46	61.8 Å²	61.8	20%	0.202	31%	0.31	C	S	.	.	H	α-helix	trans	-65.6	-43.8	-176.9	-56.3	-25.7	0	0	0	111.8	Q67 Y68 W73 A74 E75 Y90 V102	Q67-F71 HydrophobicContact CB-CE2 3.9Å; Q67-F71 HydrophobicContact CB-CZ 3.98Å; Q67-F71 HydrophobicContact CG-CZ 4.35Å; Q67-F71 VanDerWaalsContact O-CD2 3.26Å; Q67-F71 WeakPolarHBondContact O-CD2 3.48Å; Q67-F71 WeakPolarHBondContact O-CG 3.41Å; Q67-F71 PolarHBondContact O-N 2.91Å; Y68-F71 PolarHBondContact O-N 2.93Å; F71-W73 VanDerWaalsContact C-N 3.32Å; F71-W73 PolarHBondContact O-N 2.93Å; F71-A74 PolarHBondContact O-N 2.97Å; F71-E75 WeakPolarHBondContact O-CG 3.33Å; F71-E75 PolarHBondContact O-N 3.38Å; F71-Y90 HydrophobicContact CD1-CE1 4.3Å; F71-Y90 HydrophobicContact CE1-CE1 4.2Å; F71-V102 HydrophobicContact CE2-CG1 3.84Å; F71-V102 HydrophobicContact CZ-CB 4.48Å; F71-V102 HydrophobicContact CZ-CG1 3.65Å
72	R	95.1	Very high	93.2	Very high	84 Å²	84	61 Å²	61	32%	0.317	30%	0.298	S	S	.	.	H	α-helix	trans	-63.1	-39.4	175.7	-65.8	-58.9	-59.3	-144	-0.8	112.3	F41 Y68 E75 E76	F41-R72 HydrophobicContact CB-CB 4.35Å; F41-R72 HydrophobicContact CD1-CB 3.48Å; F41-R72 VanDerWaalsContact CD1-CB 3.48Å; F41-R72 HydrophobicContact CD1-CG 4.14Å; F41-R72 HydrophobicContact CD2-CB 3.92Å; F41-R72 HydrophobicContact CE1-CB 3.61Å; F41-R72 HydrophobicContact CE1-CG 3.81Å; F41-R72 HydrophobicContact CE2-CB 4.03Å; F41-R72 HydrophobicContact CG-CB 3.65Å; F41-R72 HydrophobicContact CZ-CB 3.88Å; F41-R72 HydrophobicContact CZ-CG 4.08Å; Y68-R72 HydrophobicContact CD1-CG 4.27Å; Y68-R72 HydrophobicContact CD2-CG 4.38Å; Y68-R72 HydrophobicContact CE1-CG 3.86Å; Y68-R72 HydrophobicContact CE2-CG 3.98Å; Y68-R72 VanDerWaalsContact O-CG 3.26Å; Y68-R72 WeakPolarHBondContact O-CG 3.24Å; Y68-R72 PolarHBondContact O-N 3.27Å; R72-E75 IonicContact CZ-OE2 3.91Å; R72-E75 IonicContact NE-OE2 3.57Å; R72-E76 PolarHBondContact O-N 3.39Å
73	W	96.3	Very high	93.1	Very high	49 Å²	49	62.6 Å²	62.6	19%	0.186	31%	0.306	C	S	.	.	H	α-helix	trans	-68.9	-38.5	175.6	-175.5	-129.8	0	0	0	112.2	F41 G42 T69 L70 F71 E76 L77	F41-W73 HydrophobicContact CB-CB 3.88Å; F41-W73 HydrophobicContact CB-CE3 4.26Å; G42-W73 VanDerWaalsContact CA-CE2 3.5Å; T69-W73 VanDerWaalsContact O-CB 3.3Å; T69-W73 WeakPolarHBondContact O-CB 3.27Å; T69-W73 PolarHBondContact O-N 2.91Å; L70-W73 PolarHBondContact O-N 3.45Å; F71-W73 VanDerWaalsContact C-N 3.32Å; F71-W73 PolarHBondContact O-N 2.93Å; W73-E76 HydrophobicContact CE3-CB 4.06Å; W73-E76 VanDerWaalsContact CE3-OE2 3.26Å; W73-E76 HydrophobicContact CZ3-CB 4.22Å; W73-E76 VanDerWaalsContact CZ3-OE2 3.23Å; W73-E76 WeakPolarHBondContact CZ3-OE2 3.1Å; W73-E76 PolarHBondContact O-N 3.48Å; W73-L77 HydrophobicContact CD2-CD1 4.38Å; W73-L77 HydrophobicContact CD2-CG 4.21Å; W73-L77 HydrophobicContact CG-CD1 4.4Å; W73-L77 HydrophobicContact CH2-CD2 4.14Å; W73-L77 HydrophobicContact CZ2-CD1 4.35Å; W73-L77 HydrophobicContact CZ2-CD2 3.71Å; W73-L77 HydrophobicContact CZ2-CG 4.05Å; W73-L77 WeakPolarHBondContact O-CG 3.37Å; W73-L77 PolarHBondContact O-N 2.88Å
74	A	94.4	Very high	93.1	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-63	-42.8	175.1	0	0	0	0	0	111.8	L70 F71 E76 L77 D78 L86 Y90	L70-A74 WeakPolarHBondContact O-CB 3.29Å; L70-A74 PolarHBondContact O-N 3.32Å; F71-A74 PolarHBondContact O-N 2.97Å; A74-E76 VanDerWaalsContact C-N 3.33Å; A74-E76 PolarHBondContact O-N 3.26Å; A74-L77 PolarHBondContact O-N 3.04Å; A74-D78 VanDerWaalsContact O-CB 3.31Å; A74-D78 WeakPolarHBondContact O-CB 3.36Å; A74-D78 PolarHBondContact O-N 3.17Å; A74-L86 HydrophobicContact CB-CD1 4.37Å; A74-L86 HydrophobicContact CB-CG 4.2Å; A74-L86 WeakPolarHBondContact O-CD1 3.33Å; A74-Y90 HydrophobicContact CB-CE2 3.73Å
75	E	89.9	Confident	93.1	Very high	107 Å²	107	64 Å²	64	50%	0.5	32%	0.316	S	S	.	.	H	α-helix	trans	-57.2	-43.2	173.3	-73.2	172.6	172.9	0	0	112.1	F71 R72 D78 A79	F71-E75 WeakPolarHBondContact O-CG 3.33Å; F71-E75 PolarHBondContact O-N 3.38Å; R72-E75 IonicContact CZ-OE2 3.91Å; R72-E75 IonicContact NE-OE2 3.57Å; E75-D78 PolarHBondContact O-N 2.81Å; E75-A79 WeakPolarHBondContact O-CB 3.21Å; E75-A79 PolarHBondContact O-N 3.24Å
76	E	94.1	Very high	93.2	Very high	72 Å²	72	61.4 Å²	61.4	34%	0.336	30%	0.299	S	S	.	.	H	α-helix	trans	-67	-41.2	176.9	-72.7	-174.9	174.6	0	0	112.6	F41 R72 W73 A74 D78 A79 L80	F41-E76 WeakPolarHBondContact CD2-OE1 3.19Å; F41-E76 WeakPolarHBondContact CE2-OE1 3.5Å; R72-E76 PolarHBondContact O-N 3.39Å; W73-E76 HydrophobicContact CE3-CB 4.06Å; W73-E76 VanDerWaalsContact CE3-OE2 3.26Å; W73-E76 HydrophobicContact CZ3-CB 4.22Å; W73-E76 VanDerWaalsContact CZ3-OE2 3.23Å; W73-E76 WeakPolarHBondContact CZ3-OE2 3.1Å; W73-E76 PolarHBondContact O-N 3.48Å; A74-E76 VanDerWaalsContact C-N 3.33Å; A74-E76 PolarHBondContact O-N 3.26Å; E76-D78 VanDerWaalsContact C-N 3.33Å; E76-A79 PolarHBondContact O-N 3.43Å; E76-L80 WeakPolarHBondContact O-CB 3.45Å; E76-L80 VanDerWaalsContact O-CG 3.26Å; E76-L80 WeakPolarHBondContact O-CG 3.1Å; E76-L80 PolarHBondContact O-N 3.41Å; E76-L80 VanDerWaalsContact O-N 3.08Å
77	L	93.3	Very high	93.1	Very high	1 Å²	1	63 Å²	63	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-65.1	-38.7	176.4	-71.9	174.5	0	0	0	111.9	W73 A74 L80 N81 R82 D85 L86	W73-L77 HydrophobicContact CD2-CD1 4.38Å; W73-L77 HydrophobicContact CD2-CG 4.21Å; W73-L77 HydrophobicContact CG-CD1 4.4Å; W73-L77 HydrophobicContact CH2-CD2 4.14Å; W73-L77 HydrophobicContact CZ2-CD1 4.35Å; W73-L77 HydrophobicContact CZ2-CD2 3.71Å; W73-L77 HydrophobicContact CZ2-CG 4.05Å; W73-L77 WeakPolarHBondContact O-CG 3.37Å; W73-L77 PolarHBondContact O-N 2.88Å; A74-L77 PolarHBondContact O-N 3.04Å; L77-L80 CarbonylContact O-C 3.57Å; L77-L80 PolarHBondContact O-N 2.7Å; L77-N81 PolarHBondContact O-N 3.45Å; L77-N81 VanDerWaalsContact O-N 3.14Å; L77-R82 HydrophobicContact CB-CB 4.42Å; L77-R82 HydrophobicContact CD2-CB 3.91Å; L77-R82 PolarHBondContact O-N 3.22Å; L77-D85 HydrophobicContact CD1-CB 4.17Å; L77-D85 HydrophobicContact CD2-CB 4.19Å; L77-L86 HydrophobicContact CB-CB 4.09Å; L77-L86 HydrophobicContact CB-CD1 4.44Å; L77-L86 HydrophobicContact CD1-CB 4.22Å
78	D	87.2	Confident	93.1	Very high	46 Å²	46	62.9 Å²	62.9	25%	0.246	31%	0.313	C	S	.	.	H	α-helix	trans	-63.6	-47.4	176.5	-160.4	29.4	0	0	0	110.8	A74 E75 E76 L80 N81 L86 R113	A74-D78 VanDerWaalsContact O-CB 3.31Å; A74-D78 WeakPolarHBondContact O-CB 3.36Å; A74-D78 PolarHBondContact O-N 3.17Å; E75-D78 PolarHBondContact O-N 2.81Å; E76-D78 VanDerWaalsContact C-N 3.33Å; D78-L80 PolarHBondContact O-N 3.35Å; D78-N81 WeakPolarHBondContact O-CA 3.16Å; D78-N81 PolarHBondContact O-N 3.17Å; D78-L86 HydrophobicContact CB-CD1 3.81Å; D78-R113 IonicContact OD2-CZ 2.88Å; D78-R113 IonicContact OD2-NH1 3.81Å; D78-R113 PolarHBondContact OD2-NH1 2.87Å; D78-R113 IonicContact OD2-NH2 3.5Å
79	A	87.8	Confident	93.2	Very high	91 Å²	91	57.9 Å²	57.9	75%	0.752	30%	0.295	S	S	*	.	H	α-helix	trans	-61.4	-28.9	175.3	0	0	0	0	0	113.4	E75 E76 N81	E75-A79 WeakPolarHBondContact O-CB 3.21Å; E75-A79 PolarHBondContact O-N 3.24Å; E76-A79 PolarHBondContact O-N 3.43Å; A79-N81 VanDerWaalsContact C-N 3.31Å
80	L	91.9	Very high	93.2	Very high	114 Å²	114	58 Å²	58	60%	0.597	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	2.3	174.1	-66	174.2	0	0	0	113.5	E76 L77 D78 R82	E76-L80 WeakPolarHBondContact O-CB 3.45Å; E76-L80 VanDerWaalsContact O-CG 3.26Å; E76-L80 WeakPolarHBondContact O-CG 3.1Å; E76-L80 PolarHBondContact O-N 3.41Å; E76-L80 VanDerWaalsContact O-N 3.08Å; L77-L80 CarbonylContact O-C 3.57Å; L77-L80 PolarHBondContact O-N 2.7Å; D78-L80 PolarHBondContact O-N 3.35Å; L80-R82 HydrophobicContact CB-CG 4.11Å; L80-R82 PolarHBondContact O-N 3Å
81	N	88.2	Confident	93.1	Very high	131 Å²	131	63.3 Å²	63.3	70%	0.701	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	32.8	-175.2	-161	24.7	0	0	0	113.6	L77 D78 A79 I83	L77-N81 PolarHBondContact O-N 3.45Å; L77-N81 VanDerWaalsContact O-N 3.14Å; D78-N81 WeakPolarHBondContact O-CA 3.16Å; D78-N81 PolarHBondContact O-N 3.17Å; A79-N81 VanDerWaalsContact C-N 3.31Å; N81-I83 VanDerWaalsContact C-N 3.34Å; N81-I83 PolarHBondContact O-N 3.31Å
82	R	92.4	Very high	93.1	Very high	112 Å²	112	65.3 Å²	65.3	42%	0.423	33%	0.33	S	S	.	.			trans	-93.6	60	178.8	-70.7	-177.7	65.1	-172.2	0.6	111.4	L77 L80 Q84 D85 L86	L77-R82 HydrophobicContact CB-CB 4.42Å; L77-R82 HydrophobicContact CD2-CB 3.91Å; L77-R82 PolarHBondContact O-N 3.22Å; L80-R82 HydrophobicContact CB-CG 4.11Å; L80-R82 PolarHBondContact O-N 3Å; R82-Q84 PolarHBondContact O-N 3.15Å; R82-D85 HydrophobicContact CB-CB 4.47Å; R82-D85 IonicContact CZ-OD2 3.88Å; R82-D85 IonicContact NE-OD2 3.5Å; R82-D85 PolarHBondContact NE-OD2 3.31Å; R82-D85 IonicContact NH2-OD1 3.99Å; R82-D85 IonicContact NH2-OD2 3.85Å; R82-D85 PolarHBondContact NH2-OD2 2.97Å; R82-D85 PolarHBondContact O-N 3.34Å; R82-L86 PolarHBondContact O-N 3.18Å
83	I	90.3	Very high	93.1	Very high	43 Å²	43	61.3 Å²	61.3	22%	0.221	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-40.4	-169.2	-55.9	-43.8	0	0	0	113.7	N81 D85 L86 L87 M114	N81-I83 VanDerWaalsContact C-N 3.34Å; N81-I83 PolarHBondContact O-N 3.31Å; I83-D85 PolarHBondContact O-N 2.63Å; I83-L86 WeakPolarHBondContact O-CB 3.41Å; I83-L86 PolarHBondContact O-N 3.39Å; I83-L87 HydrophobicContact CG2-CD1 4.29Å; I83-L87 HydrophobicContact CG2-CG 4.48Å; I83-L87 WeakPolarHBondContact O-CG 2.89Å; I83-L87 PolarHBondContact O-N 2.93Å; I83-M114 HydrophobicContact CB-CE 4.48Å; I83-M114 HydrophobicContact CD1-CE 3.88Å; I83-M114 HydrophobicContact CG1-CE 4.45Å; I83-M114 HydrophobicContact CG2-CE 3.57Å; I83-M114 HydrophobicContact CG2-SD 3.38Å; I83-M114 WeakPolarHBondContact CG2-SD 3.23Å
84	Q	92.5	Very high	93.1	Very high	176 Å²	176	59.9 Å²	59.9	82%	0.822	31%	0.311	S	S	*	.	H	α-helix	trans	-64.3	-39.9	-179.7	-70.1	-174.8	-17.4	0	0	112.6	R82 L86 G88	R82-Q84 PolarHBondContact O-N 3.15Å; Q84-L86 VanDerWaalsContact C-N 3.32Å; Q84-G88 PolarHBondContact O-N 3.4Å
85	D	94.2	Very high	93.1	Very high	75 Å²	75	67.4 Å²	67.4	40%	0.401	35%	0.346	S	S	.	.	H	α-helix	trans	-68.7	-36.2	178.2	-62.6	-48.7	0	0	0	110.9	L77 R82 I83 G88 C89	L77-D85 HydrophobicContact CD1-CB 4.17Å; L77-D85 HydrophobicContact CD2-CB 4.19Å; R82-D85 HydrophobicContact CB-CB 4.47Å; R82-D85 IonicContact CZ-OD2 3.88Å; R82-D85 IonicContact NE-OD2 3.5Å; R82-D85 PolarHBondContact NE-OD2 3.31Å; R82-D85 IonicContact NH2-OD1 3.99Å; R82-D85 IonicContact NH2-OD2 3.85Å; R82-D85 PolarHBondContact NH2-OD2 2.97Å; R82-D85 PolarHBondContact O-N 3.34Å; I83-D85 PolarHBondContact O-N 2.63Å; D85-G88 PolarHBondContact O-N 2.96Å; D85-C89 PolarHBondContact O-N 2.93Å; D85-C89 PolarHBondContact O-SG 2.88Å
86	L	95.1	Very high	93.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-53	176.2	-178.2	159.9	0	0	0	110.9	A74 L77 D78 R82 I83 Q84 G88 C89 Y90 H110 M114	A74-L86 HydrophobicContact CB-CD1 4.37Å; A74-L86 HydrophobicContact CB-CG 4.2Å; A74-L86 WeakPolarHBondContact O-CD1 3.33Å; L77-L86 HydrophobicContact CB-CB 4.09Å; L77-L86 HydrophobicContact CB-CD1 4.44Å; L77-L86 HydrophobicContact CD1-CB 4.22Å; D78-L86 HydrophobicContact CB-CD1 3.81Å; R82-L86 PolarHBondContact O-N 3.18Å; I83-L86 WeakPolarHBondContact O-CB 3.41Å; I83-L86 PolarHBondContact O-N 3.39Å; Q84-L86 VanDerWaalsContact C-N 3.32Å; L86-G88 VanDerWaalsContact C-N 3.31Å; L86-G88 PolarHBondContact O-N 3.46Å; L86-C89 WeakPolarHBondContact O-CB 3.33Å; L86-C89 PolarHBondContact O-N 3.36Å; L86-C89 VanDerWaalsContact O-N 3.14Å; L86-Y90 HydrophobicContact CD2-CD2 3.77Å; L86-Y90 HydrophobicContact CD2-CE2 3.75Å; L86-Y90 HydrophobicContact CG-CD2 4.47Å; L86-Y90 HydrophobicContact CG-CE2 4.29Å; L86-Y90 WeakPolarHBondContact O-CD2 3.36Å; L86-Y90 PolarHBondContact O-N 3.21Å; L86-H110 HydrophobicContact CD2-CB 4.02Å; L86-M114 HydrophobicContact CD2-CE 4.26Å
87	L	94.1	Very high	93.2	Very high	35 Å²	35	61.2 Å²	61.2	18%	0.183	32%	0.318	C	S	.	.	H	α-helix	trans	-62	-40.8	178.8	-62.9	177.1	0	0	0	111	I83 C89 Y90 E91 M107 L111 M114	I83-L87 HydrophobicContact CG2-CD1 4.29Å; I83-L87 HydrophobicContact CG2-CG 4.48Å; I83-L87 WeakPolarHBondContact O-CG 2.89Å; I83-L87 PolarHBondContact O-N 2.93Å; L87-C89 VanDerWaalsContact C-N 3.29Å; L87-C89 PolarHBondContact O-N 3.27Å; L87-Y90 PolarHBondContact O-N 3Å; L87-Y90 VanDerWaalsContact O-N 3.16Å; L87-E91 WeakPolarHBondContact O-CG 3.45Å; L87-E91 PolarHBondContact O-N 2.94Å; L87-M107 HydrophobicContact CB-CE 4.33Å; L87-M107 HydrophobicContact CD2-CE 3.59Å; L87-M107 HydrophobicContact CD2-SD 3.8Å; L87-L111 HydrophobicContact CD2-CD2 3.95Å; L87-L111 HydrophobicContact CD2-CG 4.37Å; L87-M114 HydrophobicContact CD2-SD 4.45Å
88	G	95.3	Very high	93.1	Very high	21 Å²	21	64.1 Å²	64.1	22%	0.216	34%	0.337	C	S	.	.	H	α-helix	trans	-61.3	-33.4	175.3	0	0	0	0	0	113.7	Q84 D85 L86 Q92	Q84-G88 PolarHBondContact O-N 3.4Å; D85-G88 PolarHBondContact O-N 2.96Å; L86-G88 VanDerWaalsContact C-N 3.31Å; L86-G88 PolarHBondContact O-N 3.46Å; G88-Q92 VanDerWaalsContact O-CG 3.29Å; G88-Q92 WeakPolarHBondContact O-CG 3.46Å; G88-Q92 PolarHBondContact O-N 3.41Å; G88-Q92 VanDerWaalsContact O-N 3.12Å
89	C	96.4	Very high	93.4	Very high	12 Å²	12	67.3 Å²	67.3	8%	0.081	35%	0.354	C	S	.	.	H	α-helix	trans	-66.1	-46.3	173	-67.2	0	0	0	0	111.2	Y45 L70 D85 L86 L87 E91 Q92 A93	Y45-C89 HydrophobicContact CE1-CB 4.01Å; Y45-C89 WeakPolarHBondContact OH-CA 3.3Å; Y45-C89 PolarHBondContact OH-O 3.47Å; L70-C89 HydrophobicContact CD1-CB 3.85Å; D85-C89 PolarHBondContact O-N 2.93Å; D85-C89 PolarHBondContact O-SG 2.88Å; L86-C89 WeakPolarHBondContact O-CB 3.33Å; L86-C89 PolarHBondContact O-N 3.36Å; L86-C89 VanDerWaalsContact O-N 3.14Å; L87-C89 VanDerWaalsContact C-N 3.29Å; L87-C89 PolarHBondContact O-N 3.27Å; C89-E91 PolarHBondContact O-N 2.81Å; C89-Q92 PolarHBondContact O-N 2.85Å; C89-A93 WeakPolarHBondContact O-CB 3.44Å; C89-A93 PolarHBondContact O-N 3.07Å
90	Y	96.4	Very high	93.7	Very high	2 Å²	2	63 Å²	63	1%	0.008	32%	0.318	C	S	.	.	H	α-helix	trans	-64.4	-39.3	177.2	-80.1	-74.4	0	0	0	112.8	L70 F71 A74 L86 L87 A93 L94 I103 M107 H110	L70-Y90 HydrophobicContact CD2-CD1 3.97Å; L70-Y90 HydrophobicContact CD2-CE1 3.92Å; L70-Y90 HydrophobicContact CG-CD1 4.48Å; L70-Y90 HydrophobicContact CG-CE1 4.19Å; F71-Y90 HydrophobicContact CD1-CE1 4.3Å; F71-Y90 HydrophobicContact CE1-CE1 4.2Å; A74-Y90 HydrophobicContact CB-CE2 3.73Å; L86-Y90 HydrophobicContact CD2-CD2 3.77Å; L86-Y90 HydrophobicContact CD2-CE2 3.75Å; L86-Y90 HydrophobicContact CG-CD2 4.47Å; L86-Y90 HydrophobicContact CG-CE2 4.29Å; L86-Y90 WeakPolarHBondContact O-CD2 3.36Å; L86-Y90 PolarHBondContact O-N 3.21Å; L87-Y90 PolarHBondContact O-N 3Å; L87-Y90 VanDerWaalsContact O-N 3.16Å; Y90-A93 PolarHBondContact O-N 3Å; Y90-L94 WeakPolarHBondContact O-CB 3.27Å; Y90-L94 WeakPolarHBondContact O-CG 3.42Å; Y90-L94 PolarHBondContact O-N 3.21Å; Y90-I103 HydrophobicContact CD1-CG2 3.95Å; Y90-I103 HydrophobicContact CE1-CG2 4.49Å; Y90-M107 WeakPolarHBondContact CB-SD 3.47Å; Y90-M107 HydrophobicContact CD1-CB 3.98Å; Y90-M107 HydrophobicContact CD2-SD 3.97Å; Y90-M107 HydrophobicContact CG-CB 4.11Å; Y90-M107 HydrophobicContact CG-CG 4.46Å; Y90-M107 HydrophobicContact CG-SD 3.75Å; Y90-H110 AromaticContact CE2-CD2 3.34Å; Y90-H110 WeakPolarHBondContact CE2-CD2 3.5Å; Y90-H110 AromaticContact CE2-NE2 3.65Å; Y90-H110 AromaticContact CZ-CD2 3.54Å; Y90-H110 AromaticContact CZ-NE2 3.74Å; Y90-H110 PolarHBondContact OH-CD2 3.2Å; Y90-H110 PolarHBondContact OH-NE2 2.78Å
91	E	95.6	Very high	93.8	Very high	113 Å²	113	59.6 Å²	59.6	53%	0.528	30%	0.299	S	S	.	.	H	α-helix	trans	-59	-49.4	174.8	-73.6	176.2	173	0	0	111.5	L87 C89 A93 L94 E95	L87-E91 WeakPolarHBondContact O-CG 3.45Å; L87-E91 PolarHBondContact O-N 2.94Å; C89-E91 PolarHBondContact O-N 2.81Å; E91-A93 VanDerWaalsContact C-N 3.31Å; E91-A93 PolarHBondContact O-N 2.94Å; E91-L94 PolarHBondContact O-N 2.9Å; E91-E95 WeakPolarHBondContact O-CG 3.07Å; E91-E95 PolarHBondContact O-N 3.35Å
92	Q	95.6	Very high	94.1	Very high	88 Å²	88	55.3 Å²	55.3	41%	0.411	28%	0.277	S	S	.	.	H	α-helix	trans	-61.4	-39.4	176	-72.4	172.8	-2.9	0	0	112.4	L49 G88 C89 E95 L96	L49-Q92 VanDerWaalsContact CD1-OE1 3.23Å; L49-Q92 HydrophobicContact CD2-CB 4.45Å; G88-Q92 VanDerWaalsContact O-CG 3.29Å; G88-Q92 WeakPolarHBondContact O-CG 3.46Å; G88-Q92 PolarHBondContact O-N 3.41Å; G88-Q92 VanDerWaalsContact O-N 3.12Å; C89-Q92 PolarHBondContact O-N 2.85Å; Q92-E95 PolarHBondContact O-N 2.87Å; Q92-L96 PolarHBondContact O-N 3.27Å
93	A	95.1	Very high	94.3	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-41.5	176.4	0	0	0	0	0	111.6	F66 L70 C89 Y90 E91 L96 F97 I103	F66-A93 HydrophobicContact CE1-CB 3.87Å; F66-A93 HydrophobicContact CZ-CB 3.95Å; L70-A93 HydrophobicContact CD2-CB 3.56Å; C89-A93 WeakPolarHBondContact O-CB 3.44Å; C89-A93 PolarHBondContact O-N 3.07Å; Y90-A93 PolarHBondContact O-N 3Å; E91-A93 VanDerWaalsContact C-N 3.31Å; E91-A93 PolarHBondContact O-N 2.94Å; A93-L96 PolarHBondContact O-N 2.85Å; A93-F97 PolarHBondContact O-N 3.2Å; A93-I103 HydrophobicContact CB-CD1 4.35Å; A93-I103 HydrophobicContact CB-CG2 4.12Å
94	L	94.9	Very high	94.5	Very high	18 Å²	18	47.9 Å²	47.9	9%	0.094	25%	0.247	C	C	.	.	H	α-helix	trans	-73.6	-25.8	177.7	-71.8	169.9	0	0	0	113.3	Y90 E91 L96 F97 P98 I103 Y123	Y90-L94 WeakPolarHBondContact O-CB 3.27Å; Y90-L94 WeakPolarHBondContact O-CG 3.42Å; Y90-L94 PolarHBondContact O-N 3.21Å; E91-L94 PolarHBondContact O-N 2.9Å; L94-L96 VanDerWaalsContact C-N 3.3Å; L94-F97 CarbonylContact O-C 3.59Å; L94-P98 WeakPolarHBondContact O-CA 3.42Å; L94-I103 HydrophobicContact CD2-CB 4.16Å; L94-I103 HydrophobicContact CD2-CG2 3.66Å; L94-I103 HydrophobicContact CG-CG2 3.78Å; L94-Y123 HydrophobicContact CD1-CD1 4.25Å; L94-Y123 HydrophobicContact CD1-CE1 3.56Å
95	E	94.2	Very high	94.6	Very high	159 Å²	159	39.8 Å²	39.8	74%	0.743	21%	0.209	S	C	*	.	H	α-helix	trans	-63.8	-37.8	167.4	-74	-177.4	172.9	0	0	111.6	E91 Q92	E91-E95 WeakPolarHBondContact O-CG 3.07Å; E91-E95 PolarHBondContact O-N 3.35Å; Q92-E95 PolarHBondContact O-N 2.87Å
96	L	92.8	Very high	94.6	Very high	31 Å²	31	36.8 Å²	36.8	16%	0.162	19%	0.194	C	C	.	.	H	α-helix	trans	-79.4	-37.3	177.7	-66.1	173.9	0	0	0	112.3	L49 L52 K59 Q92 A93 L94	L49-L96 HydrophobicContact CD2-CD1 3.4Å; L49-L96 VanDerWaalsContact CD2-CD1 3.4Å; L52-L96 HydrophobicContact CB-CD1 3.89Å; L52-L96 HydrophobicContact CB-CD2 4.37Å; L52-L96 HydrophobicContact CD1-CD1 4.01Å; K59-L96 WeakPolarHBondContact CE-O 3.48Å; K59-L96 PolarHBondContact NZ-O 2.92Å; Q92-L96 PolarHBondContact O-N 3.27Å; A93-L96 PolarHBondContact O-N 2.85Å; L94-L96 VanDerWaalsContact C-N 3.3Å
97	F	93.1	Very high	94.6	Very high	17 Å²	17	37 Å²	37	8%	0.075	20%	0.195	C	C	.	.			trans	-128.1	71.5	-176.9	-61.9	-83.1	0	0	0	111	L52 K59 K63 F66 A93 L94 D99 D100 I103	L52-F97 HydrophobicContact CD1-CE2 3.65Å; L52-F97 HydrophobicContact CD1-CZ 4.03Å; L52-F97 HydrophobicContact CD2-CE2 4.36Å; L52-F97 HydrophobicContact CD2-CZ 3.93Å; K59-F97 HydrophobicContact CB-CE1 3.85Å; K59-F97 HydrophobicContact CB-CZ 4.23Å; K59-F97 HydrophobicContact CD-CE1 4.37Å; K59-F97 HydrophobicContact CG-CE1 3.94Å; K59-F97 HydrophobicContact CG-CZ 4.04Å; K63-F97 HydrophobicContact CB-CE1 4.45Å; K63-F97 HydrophobicContact CG-CE1 4.2Å; F66-F97 AromaticContact CD1-CD2 3.94Å; F66-F97 HydrophobicContact CD1-CD2 3.94Å; F66-F97 AromaticContact CD1-CE2 3.42Å; F66-F97 HydrophobicContact CD1-CE2 3.42Å; F66-F97 VanDerWaalsContact CD1-CE2 3.42Å; F66-F97 HydrophobicContact CD1-CZ 4.31Å; F66-F97 AromaticContact CE1-CD2 3.75Å; F66-F97 HydrophobicContact CE1-CD2 3.75Å; F66-F97 AromaticContact CE1-CE2 3.59Å; F66-F97 HydrophobicContact CE1-CE2 3.59Å; F66-F97 HydrophobicContact CG-CE2 4.22Å; F66-F97 HydrophobicContact CZ-CE2 4.49Å; A93-F97 PolarHBondContact O-N 3.2Å; L94-F97 CarbonylContact O-C 3.59Å; F97-D99 PolarHBondContact O-N 3.39Å; F97-D100 HydrophobicContact CB-CB 3.78Å; F97-D100 PolarHBondContact O-N 3.07Å; F97-I103 HydrophobicContact CB-CD1 4.07Å; F97-I103 HydrophobicContact CD2-CD1 4.25Å; F97-I103 HydrophobicContact CG-CD1 4.4Å
98	P	91.4	Very high	94.5	Very high	62 Å²	62	35.4 Å²	35.4	40%	0.403	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.7	-173.4	25.6	-35.4	0	0	0	113.9	L94 K126	L94-P98 WeakPolarHBondContact O-CA 3.42Å; P98-K126 WeakPolarHBondContact O-CE 3.29Å; P98-K126 PolarHBondContact O-NZ 3.24Å
99	D	93.3	Very high	94.3	Very high	113 Å²	113	37.5 Å²	37.5	60%	0.604	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.6	24.8	-176.6	-61.4	-36.4	0	0	0	112	F97 L130	F97-D99 PolarHBondContact O-N 3.39Å; D99-L130 HydrophobicContact CB-CD2 3.76Å
100	D	94.3	Very high	94	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.011	19%	0.189	C	C	.	.			trans	-89.3	111.5	175.7	-170.2	-54.4	0	0	0	111.1	K63 Q67 F97 V102 I103 C104	K63-D100 WeakPolarHBondContact CE-OD2 3.42Å; K63-D100 IonicContact NZ-OD2 3.7Å; K63-D100 PolarHBondContact NZ-OD2 3.09Å; Q67-D100 VanDerWaalsContact NE2-CG 3.29Å; Q67-D100 PolarHBondContact NE2-OD1 3.38Å; Q67-D100 VanDerWaalsContact NE2-OD1 3.08Å; Q67-D100 PolarHBondContact NE2-OD2 3.49Å; F97-D100 HydrophobicContact CB-CB 3.78Å; F97-D100 PolarHBondContact O-N 3.07Å; D100-V102 VanDerWaalsContact C-N 3.31Å; D100-V102 PolarHBondContact O-N 3.48Å; D100-V102 WeakPolarHBondContact OD1-CB 3.44Å; D100-V102 PolarHBondContact OD1-N 3.47Å; D100-I103 HydrophobicContact CB-CB 4.2Å; D100-I103 HydrophobicContact CB-CD1 3.99Å; D100-I103 HydrophobicContact CB-CG1 4.2Å; D100-I103 WeakPolarHBondContact OD1-CG1 3.26Å; D100-I103 PolarHBondContact OD1-N 3.16Å; D100-C104 WeakPolarHBondContact O-CB 3.29Å; D100-C104 PolarHBondContact O-N 2.83Å; D100-C104 VanDerWaalsContact O-N 3.09Å; D100-C104 PolarHBondContact O-SG 2.92Å
101	E	94.7	Very high	93.7	Very high	42 Å²	42	37.7 Å²	37.7	20%	0.196	19%	0.191	C	C	.	.	H	α-helix	trans	-66.5	-32.5	-177.4	72	-83.9	-148.8	0	0	112.8	N105 A127 L130 N131 F134	E101-N105 WeakPolarHBondContact O-CB 3.31Å; E101-N105 PolarHBondContact O-N 3.49Å; E101-A127 HydrophobicContact CB-CB 4.38Å; E101-A127 WeakPolarHBondContact O-CB 3.38Å; E101-L130 HydrophobicContact CB-CB 4.03Å; E101-L130 HydrophobicContact CB-CD1 4.44Å; E101-N131 HydrophobicContact CB-CB 4.07Å; E101-N131 HydrophobicContact CG-CB 3.8Å; E101-N131 PolarHBondContact OE1-ND2 3.08Å; E101-F134 HydrophobicContact CB-CD1 4.07Å; E101-F134 HydrophobicContact CB-CE1 4.48Å; E101-F134 HydrophobicContact CG-CD1 3.77Å; E101-F134 HydrophobicContact CG-CE1 4.16Å
102	V	94.9	Very high	93.4	Very high	40 Å²	40	34.5 Å²	34.5	24%	0.242	18%	0.175	C	C	.	.	H	α-helix	trans	-74.7	-46	-176.2	-170.5	0	0	0	0	109.3	F71 D100 C104 N105 S106	F71-V102 HydrophobicContact CE2-CG1 3.84Å; F71-V102 HydrophobicContact CZ-CB 4.48Å; F71-V102 HydrophobicContact CZ-CG1 3.65Å; D100-V102 VanDerWaalsContact C-N 3.31Å; D100-V102 PolarHBondContact O-N 3.48Å; D100-V102 WeakPolarHBondContact OD1-CB 3.44Å; D100-V102 PolarHBondContact OD1-N 3.47Å; V102-C104 VanDerWaalsContact C-N 3.32Å; V102-C104 PolarHBondContact O-N 3.39Å; V102-N105 PolarHBondContact O-N 2.93Å; V102-S106 PolarHBondContact O-N 2.91Å; V102-S106 PolarHBondContact O-OG 3.12Å
103	I	95.9	Very high	92.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.5	-40.3	175.7	-60.6	173.2	0	0	0	110.4	F66 Q67 L70 Y90 A93 L94 F97 D100 S106 M107	F66-I103 HydrophobicContact CE1-CD1 4.39Å; Q67-I103 HydrophobicContact CG-CD1 4.23Å; Q67-I103 HydrophobicContact CG-CG1 4.13Å; L70-I103 HydrophobicContact CD2-CD1 4.47Å; L70-I103 HydrophobicContact CD2-CG1 4.31Å; L70-I103 HydrophobicContact CD2-CG2 4.17Å; Y90-I103 HydrophobicContact CD1-CG2 3.95Å; Y90-I103 HydrophobicContact CE1-CG2 4.49Å; A93-I103 HydrophobicContact CB-CD1 4.35Å; A93-I103 HydrophobicContact CB-CG2 4.12Å; L94-I103 HydrophobicContact CD2-CB 4.16Å; L94-I103 HydrophobicContact CD2-CG2 3.66Å; L94-I103 HydrophobicContact CG-CG2 3.78Å; F97-I103 HydrophobicContact CB-CD1 4.07Å; F97-I103 HydrophobicContact CD2-CD1 4.25Å; F97-I103 HydrophobicContact CG-CD1 4.4Å; D100-I103 HydrophobicContact CB-CB 4.2Å; D100-I103 HydrophobicContact CB-CD1 3.99Å; D100-I103 HydrophobicContact CB-CG1 4.2Å; D100-I103 WeakPolarHBondContact OD1-CG1 3.26Å; D100-I103 PolarHBondContact OD1-N 3.16Å; I103-S106 PolarHBondContact O-N 3.36Å; I103-M107 WeakPolarHBondContact O-CB 3.29Å; I103-M107 PolarHBondContact O-N 3.27Å
104	C	95.5	Very high	92.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.2	-50	173.3	-70.3	0	0	0	0	111.3	D100 V102 S106 M107 G108 Y123 A127	D100-C104 WeakPolarHBondContact O-CB 3.29Å; D100-C104 PolarHBondContact O-N 2.83Å; D100-C104 VanDerWaalsContact O-N 3.09Å; D100-C104 PolarHBondContact O-SG 2.92Å; V102-C104 VanDerWaalsContact C-N 3.32Å; V102-C104 PolarHBondContact O-N 3.39Å; C104-S106 PolarHBondContact O-N 3.25Å; C104-M107 PolarHBondContact O-N 2.82Å; C104-G108 PolarHBondContact O-N 3.47Å; C104-Y123 WeakPolarHBondContact O-CB 3.37Å; C104-A127 HydrophobicContact CB-CB 3.9Å
105	N	94.1	Very high	91.7	Very high	5 Å²	5	41 Å²	41	3%	0.027	21%	0.212	C	C	.	.	H	α-helix	trans	-59.4	-47.5	179	-179.8	71.7	0	0	0	112	E101 V102 M107 G108 E109 F124 A127 F134 A137 N140	E101-N105 WeakPolarHBondContact O-CB 3.31Å; E101-N105 PolarHBondContact O-N 3.49Å; V102-N105 PolarHBondContact O-N 2.93Å; N105-M107 PolarHBondContact O-N 3.44Å; N105-G108 WeakPolarHBondContact O-CA 3.32Å; N105-G108 PolarHBondContact O-N 2.74Å; N105-G108 VanDerWaalsContact O-N 3.12Å; N105-E109 PolarHBondContact ND2-OE1 3.16Å; N105-E109 PolarHBondContact O-N 2.94Å; N105-F124 WeakPolarHBondContact O-CE1 3.5Å; N105-A127 HydrophobicContact CB-CB 4.27Å; N105-F134 HydrophobicContact CB-CE1 3.6Å; N105-F134 HydrophobicContact CB-CZ 4.07Å; N105-A137 HydrophobicContact CB-CB 4.27Å; N105-A137 VanDerWaalsContact OD1-CA 3.27Å; N105-A137 WeakPolarHBondContact OD1-CA 3.37Å; N105-N140 PolarHBondContact OD1-ND2 2.84Å
106	S	94.3	Very high	91.4	Very high	13 Å²	13	38.2 Å²	38.2	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-64.4	-39.7	-179.1	-61.2	0	0	0	0	112.9	V102 I103 C104 G108 E109 H110	V102-S106 PolarHBondContact O-N 2.91Å; V102-S106 PolarHBondContact O-OG 3.12Å; I103-S106 PolarHBondContact O-N 3.36Å; C104-S106 PolarHBondContact O-N 3.25Å; S106-G108 VanDerWaalsContact C-N 3.31Å; S106-G108 PolarHBondContact O-N 3.03Å; S106-E109 PolarHBondContact O-N 3.31Å; S106-H110 PolarHBondContact O-CD2 3.1Å; S106-H110 PolarHBondContact O-N 3.47Å; S106-H110 VanDerWaalsContact O-N 3.14Å
107	M	94.7	Very high	91	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-59.3	-44.3	171.9	179.4	59.1	166.6	0	0	111.1	L87 Y90 I103 C104 N105 E109 H110 L111 Y123	L87-M107 HydrophobicContact CB-CE 4.33Å; L87-M107 HydrophobicContact CD2-CE 3.59Å; L87-M107 HydrophobicContact CD2-SD 3.8Å; Y90-M107 WeakPolarHBondContact CB-SD 3.47Å; Y90-M107 HydrophobicContact CD1-CB 3.98Å; Y90-M107 HydrophobicContact CD2-SD 3.97Å; Y90-M107 HydrophobicContact CG-CB 4.11Å; Y90-M107 HydrophobicContact CG-CG 4.46Å; Y90-M107 HydrophobicContact CG-SD 3.75Å; I103-M107 WeakPolarHBondContact O-CB 3.29Å; I103-M107 PolarHBondContact O-N 3.27Å; C104-M107 PolarHBondContact O-N 2.82Å; N105-M107 PolarHBondContact O-N 3.44Å; M107-E109 VanDerWaalsContact C-N 3.35Å; M107-E109 PolarHBondContact O-N 3.14Å; M107-H110 PolarHBondContact O-N 2.9Å; M107-L111 HydrophobicContact CE-CD1 4.07Å; M107-L111 HydrophobicContact CE-CD2 4.49Å; M107-L111 HydrophobicContact CE-CG 4.33Å; M107-L111 HydrophobicContact CG-CD1 4.01Å; M107-L111 WeakPolarHBondContact O-CG 3.39Å; M107-L111 PolarHBondContact O-N 2.77Å; M107-L111 HydrophobicContact SD-CD1 4.32Å; M107-L111 HydrophobicContact SD-CG 4.4Å; M107-Y123 HydrophobicContact CB-CD1 4.48Å; M107-Y123 HydrophobicContact CB-CG 4.45Å; M107-Y123 HydrophobicContact CE-CE2 4.32Å; M107-Y123 HydrophobicContact CG-CD1 4.25Å; M107-Y123 HydrophobicContact CG-CD2 3.93Å; M107-Y123 HydrophobicContact CG-CE1 4.16Å; M107-Y123 HydrophobicContact CG-CE2 3.81Å; M107-Y123 HydrophobicContact CG-CG 4.14Å
108	G	92.6	Very high	90.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.9	-42.3	174.8	0	0	0	0	0	112.9	C104 N105 S106 H110 L111 F112 A120 F124	C104-G108 PolarHBondContact O-N 3.47Å; N105-G108 WeakPolarHBondContact O-CA 3.32Å; N105-G108 PolarHBondContact O-N 2.74Å; N105-G108 VanDerWaalsContact O-N 3.12Å; S106-G108 VanDerWaalsContact C-N 3.31Å; S106-G108 PolarHBondContact O-N 3.03Å; G108-H110 PolarHBondContact O-N 2.78Å; G108-L111 PolarHBondContact O-N 3.45Å; G108-F112 VanDerWaalsContact O-CB 3.27Å; G108-F112 WeakPolarHBondContact O-CB 3.18Å; G108-F112 PolarHBondContact O-N 2.7Å; G108-A120 VanDerWaalsContact O-CB 3.31Å; G108-A120 WeakPolarHBondContact O-CB 3.21Å; G108-F124 VanDerWaalsContact CA-CE1 3.5Å; G108-F124 VanDerWaalsContact O-CZ 3.3Å; G108-F124 WeakPolarHBondContact O-CZ 3.3Å
109	E	90.8	Very high	90.2	Very high	65 Å²	65	46 Å²	46	30%	0.304	23%	0.227	S	C	.	.	H	α-helix	trans	-63.1	-41.6	178.6	-74.5	174.8	175.3	0	0	112.6	N105 S106 M107 R113 F124 N140	N105-E109 PolarHBondContact ND2-OE1 3.16Å; N105-E109 PolarHBondContact O-N 2.94Å; S106-E109 PolarHBondContact O-N 3.31Å; M107-E109 VanDerWaalsContact C-N 3.35Å; M107-E109 PolarHBondContact O-N 3.14Å; E109-R113 WeakPolarHBondContact O-CG 3.42Å; E109-R113 PolarHBondContact O-N 2.99Å; E109-F124 HydrophobicContact CG-CE1 4.03Å; E109-F124 HydrophobicContact CG-CZ 4.31Å; E109-N140 WeakPolarHBondContact CG-ND2 3.34Å; E109-N140 PolarHBondContact OE1-ND2 3.15Å
110	H	90.3	Very high	90.1	Very high	9 Å²	9	40.7 Å²	40.7	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-66.4	-45.8	175.5	-77	-77.6	0	0	0	111.7	L86 Y90 S106 M107 G108 F112 R113 M114	L86-H110 HydrophobicContact CD2-CB 4.02Å; Y90-H110 AromaticContact CE2-CD2 3.34Å; Y90-H110 WeakPolarHBondContact CE2-CD2 3.5Å; Y90-H110 AromaticContact CE2-NE2 3.65Å; Y90-H110 AromaticContact CZ-CD2 3.54Å; Y90-H110 AromaticContact CZ-NE2 3.74Å; Y90-H110 PolarHBondContact OH-CD2 3.2Å; Y90-H110 PolarHBondContact OH-NE2 2.78Å; S106-H110 PolarHBondContact O-CD2 3.1Å; S106-H110 PolarHBondContact O-N 3.47Å; S106-H110 VanDerWaalsContact O-N 3.14Å; M107-H110 PolarHBondContact O-N 2.9Å; G108-H110 PolarHBondContact O-N 2.78Å; H110-F112 VanDerWaalsContact C-N 3.31Å; H110-F112 PolarHBondContact O-N 3.02Å; H110-R113 PolarHBondContact CE1-NH2 2.94Å; H110-R113 PolarHBondContact ND1-NH2 3.48Å; H110-R113 PolarHBondContact O-N 3.01Å; H110-M114 HydrophobicContact CB-CE 4.16Å; H110-M114 VanDerWaalsContact O-CG 3.27Å; H110-M114 WeakPolarHBondContact O-CG 3.36Å; H110-M114 PolarHBondContact O-N 3.29Å; H110-M114 VanDerWaalsContact O-N 3.08Å
111	L	90.6	Very high	89.7	Confident	10 Å²	10	40.8 Å²	40.8	5%	0.052	20%	0.2	C	C	.	.	H	α-helix	trans	-59.9	-42.8	176.1	-73.9	167.9	0	0	0	111.7	L87 M107 G108 M114 G115 F116 E119 A120 Y123	L87-L111 HydrophobicContact CD2-CD2 3.95Å; L87-L111 HydrophobicContact CD2-CG 4.37Å; M107-L111 HydrophobicContact CE-CD1 4.07Å; M107-L111 HydrophobicContact CE-CD2 4.49Å; M107-L111 HydrophobicContact CE-CG 4.33Å; M107-L111 HydrophobicContact CG-CD1 4.01Å; M107-L111 WeakPolarHBondContact O-CG 3.39Å; M107-L111 PolarHBondContact O-N 2.77Å; M107-L111 HydrophobicContact SD-CD1 4.32Å; M107-L111 HydrophobicContact SD-CG 4.4Å; G108-L111 PolarHBondContact O-N 3.45Å; L111-M114 CarbonylContact O-C 3.51Å; L111-M114 PolarHBondContact O-N 2.93Å; L111-G115 PolarHBondContact O-N 3.08Å; L111-F116 HydrophobicContact CB-CB 4.16Å; L111-F116 HydrophobicContact CD2-CB 3.96Å; L111-F116 HydrophobicContact CD2-CD2 4.09Å; L111-F116 HydrophobicContact CD2-CG 4.29Å; L111-F116 PolarHBondContact O-N 3.02Å; L111-E119 HydrophobicContact CD1-CB 3.9Å; L111-E119 HydrophobicContact CD2-CB 4.45Å; L111-A120 HydrophobicContact CB-CB 3.85Å; L111-Y123 HydrophobicContact CD1-CD2 3.41Å; L111-Y123 VanDerWaalsContact CD1-CD2 3.41Å; L111-Y123 HydrophobicContact CD1-CE2 3.48Å; L111-Y123 VanDerWaalsContact CD1-CE2 3.48Å
112	F	87.3	Confident	89.2	Confident	46 Å²	46	41 Å²	41	20%	0.202	21%	0.212	C	C	.	.	H	α-helix	trans	-61.4	-45.5	177.5	-178.2	-100.5	0	0	0	111.7	G108 H110 M114 G115 R117 A120 F124 V144	G108-F112 VanDerWaalsContact O-CB 3.27Å; G108-F112 WeakPolarHBondContact O-CB 3.18Å; G108-F112 PolarHBondContact O-N 2.7Å; H110-F112 VanDerWaalsContact C-N 3.31Å; H110-F112 PolarHBondContact O-N 3.02Å; F112-M114 PolarHBondContact O-N 2.97Å; F112-G115 PolarHBondContact O-N 2.75Å; F112-R117 HydrophobicContact CD2-CG 4.36Å; F112-R117 HydrophobicContact CE2-CG 4.41Å; F112-A120 HydrophobicContact CB-CB 3.91Å; F112-F124 HydrophobicContact CB-CE2 4.26Å; F112-F124 HydrophobicContact CB-CZ 4.18Å; F112-V144 HydrophobicContact CD2-CG1 3.38Å; F112-V144 HydrophobicContact CE2-CG1 3.54Å; F112-V144 HydrophobicContact CG-CG1 4.44Å
113	R	83.8	Confident	89.1	Confident	145 Å²	145	42 Å²	42	55%	0.547	21%	0.212	S	C	.	.	H	α-helix	trans	-61.9	-30.3	175.9	-77.3	-173.1	-76.4	146.8	-11.3	113.2	D78 E109 H110 G115	D78-R113 IonicContact OD2-CZ 2.88Å; D78-R113 IonicContact OD2-NH1 3.81Å; D78-R113 PolarHBondContact OD2-NH1 2.87Å; D78-R113 IonicContact OD2-NH2 3.5Å; E109-R113 WeakPolarHBondContact O-CG 3.42Å; E109-R113 PolarHBondContact O-N 2.99Å; H110-R113 PolarHBondContact CE1-NH2 2.94Å; H110-R113 PolarHBondContact ND1-NH2 3.48Å; H110-R113 PolarHBondContact O-N 3.01Å; R113-G115 VanDerWaalsContact C-N 3.29Å
114	M	82.9	Confident	88.9	Confident	51 Å²	51	42 Å²	42	25%	0.251	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-4.1	175.9	-65.5	168.8	-162.9	0	0	113.5	I83 L86 L87 H110 L111 F112 F116	I83-M114 HydrophobicContact CB-CE 4.48Å; I83-M114 HydrophobicContact CD1-CE 3.88Å; I83-M114 HydrophobicContact CG1-CE 4.45Å; I83-M114 HydrophobicContact CG2-CE 3.57Å; I83-M114 HydrophobicContact CG2-SD 3.38Å; I83-M114 WeakPolarHBondContact CG2-SD 3.23Å; L86-M114 HydrophobicContact CD2-CE 4.26Å; L87-M114 HydrophobicContact CD2-SD 4.45Å; H110-M114 HydrophobicContact CB-CE 4.16Å; H110-M114 VanDerWaalsContact O-CG 3.27Å; H110-M114 WeakPolarHBondContact O-CG 3.36Å; H110-M114 PolarHBondContact O-N 3.29Å; H110-M114 VanDerWaalsContact O-N 3.08Å; L111-M114 CarbonylContact O-C 3.51Å; L111-M114 PolarHBondContact O-N 2.93Å; F112-M114 PolarHBondContact O-N 2.97Å; M114-F116 HydrophobicContact CB-CD2 3.59Å; M114-F116 HydrophobicContact CB-CE2 3.83Å
115	G	84.2	Confident	88.4	Confident	47 Å²	47	44.7 Å²	44.7	49%	0.485	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	1.7	-178.5	0	0	0	0	0	115.3	L111 F112 R113 R117	L111-G115 PolarHBondContact O-N 3.08Å; F112-G115 PolarHBondContact O-N 2.75Å; R113-G115 VanDerWaalsContact C-N 3.29Å; G115-R117 VanDerWaalsContact C-N 3.26Å; G115-R117 PolarHBondContact O-N 3.31Å
116	F	87.2	Confident	88.2	Confident	100 Å²	100	47.8 Å²	47.8	44%	0.439	24%	0.238	S	C	.	.			trans	-80.7	69.7	176.3	-62.4	-69.2	0	0	0	111.1	L111 M114 E119 A120	L111-F116 HydrophobicContact CB-CB 4.16Å; L111-F116 HydrophobicContact CD2-CB 3.96Å; L111-F116 HydrophobicContact CD2-CD2 4.09Å; L111-F116 HydrophobicContact CD2-CG 4.29Å; L111-F116 PolarHBondContact O-N 3.02Å; M114-F116 HydrophobicContact CB-CD2 3.59Å; M114-F116 HydrophobicContact CB-CE2 3.83Å; F116-E119 HydrophobicContact CB-CB 4.47Å; F116-A120 WeakPolarHBondContact O-CB 3.48Å; F116-A120 PolarHBondContact O-N 3.23Å
117	R	85.4	Confident	88.2	Confident	97 Å²	97	47.1 Å²	47.1	37%	0.366	23%	0.234	S	C	.	.	H	α-helix	trans	-66.8	-40	-170.8	-66	174.3	-178.2	160	-5	113.4	F112 G115 A120 A121	F112-R117 HydrophobicContact CD2-CG 4.36Å; F112-R117 HydrophobicContact CE2-CG 4.41Å; G115-R117 VanDerWaalsContact C-N 3.26Å; G115-R117 PolarHBondContact O-N 3.31Å; R117-A120 PolarHBondContact O-N 3.45Å; R117-A121 WeakPolarHBondContact O-CB 3.47Å; R117-A121 PolarHBondContact O-N 2.91Å
118	D	81.5	Confident	87.9	Confident	85 Å²	85	48.3 Å²	48.3	46%	0.455	24%	0.241	S	C	.	.	H	α-helix	trans	-66.5	-46	-178.7	-68.9	-29.1	0	0	0	111.2	A121 G122 L148	D118-A121 PolarHBondContact O-N 3.17Å; D118-G122 PolarHBondContact O-N 3.37Å; D118-L148 VanDerWaalsContact OD1-CD2 3.26Å; D118-L148 WeakPolarHBondContact OD1-CD2 3.4Å
119	E	86.7	Confident	87.7	Confident	92 Å²	92	56.2 Å²	56.2	43%	0.43	28%	0.275	S	S	.	.	H	α-helix	trans	-65.5	-44.5	176.2	-65	80.9	179.9	0	0	111.1	L111 F116 A121 G122 Y123	L111-E119 HydrophobicContact CD1-CB 3.9Å; L111-E119 HydrophobicContact CD2-CB 4.45Å; F116-E119 HydrophobicContact CB-CB 4.47Å; E119-A121 VanDerWaalsContact C-N 3.27Å; E119-A121 PolarHBondContact O-N 2.9Å; E119-G122 PolarHBondContact O-N 3.41Å; E119-Y123 WeakPolarHBondContact O-CD2 3.46Å; E119-Y123 PolarHBondContact O-N 3.38Å
120	A	90.5	Very high	87.8	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-56.1	-44.5	176.8	0	0	0	0	0	111.6	G108 L111 F112 F116 R117 G122 Y123 F124	G108-A120 VanDerWaalsContact O-CB 3.31Å; G108-A120 WeakPolarHBondContact O-CB 3.21Å; L111-A120 HydrophobicContact CB-CB 3.85Å; F112-A120 HydrophobicContact CB-CB 3.91Å; F116-A120 WeakPolarHBondContact O-CB 3.48Å; F116-A120 PolarHBondContact O-N 3.23Å; R117-A120 PolarHBondContact O-N 3.45Å; A120-G122 VanDerWaalsContact C-N 3.35Å; A120-G122 PolarHBondContact O-N 3.41Å; A120-Y123 PolarHBondContact O-N 3.41Å; A120-Y123 VanDerWaalsContact O-N 3.16Å; A120-F124 HydrophobicContact CB-CD2 4.39Å; A120-F124 HydrophobicContact CB-CE2 3.86Å; A120-F124 HydrophobicContact CB-CZ 4.37Å; A120-F124 VanDerWaalsContact O-CD2 3.22Å; A120-F124 WeakPolarHBondContact O-CD2 3.17Å; A120-F124 VanDerWaalsContact O-CG 3.31Å; A120-F124 WeakPolarHBondContact O-CG 3.24Å; A120-F124 PolarHBondContact O-N 3.17Å
121	A	85.4	Confident	87.8	Confident	5 Å²	5	57.9 Å²	57.9	4%	0.041	29%	0.287	C	S	.	.	H	α-helix	trans	-60.2	-41.5	177.6	0	0	0	0	0	113.8	R117 D118 E119 Y123 F124 H125 V144 L148	R117-A121 WeakPolarHBondContact O-CB 3.47Å; R117-A121 PolarHBondContact O-N 2.91Å; D118-A121 PolarHBondContact O-N 3.17Å; E119-A121 VanDerWaalsContact C-N 3.27Å; E119-A121 PolarHBondContact O-N 2.9Å; A121-Y123 VanDerWaalsContact C-N 3.27Å; A121-Y123 PolarHBondContact O-N 3.49Å; A121-F124 PolarHBondContact O-N 2.97Å; A121-H125 VanDerWaalsContact O-CB 3.24Å; A121-H125 WeakPolarHBondContact O-CB 3.36Å; A121-H125 PolarHBondContact O-N 3.38Å; A121-V144 HydrophobicContact CB-CB 4.31Å; A121-V144 HydrophobicContact CB-CG2 3.7Å; A121-L148 HydrophobicContact CB-CD1 3.18Å; A121-L148 HydrophobicContact CB-CD2 3.82Å; A121-L148 HydrophobicContact CB-CG 4.04Å
122	G	85.1	Confident	87.6	Confident	45 Å²	45	61 Å²	61	46%	0.464	31%	0.307	S	S	.	.	H	α-helix	trans	-57.5	-42.4	175.1	0	0	0	0	0	111.9	D118 E119 A120 K126	D118-G122 PolarHBondContact O-N 3.37Å; E119-G122 PolarHBondContact O-N 3.41Å; A120-G122 VanDerWaalsContact C-N 3.35Å; A120-G122 PolarHBondContact O-N 3.41Å; G122-K126 VanDerWaalsContact O-CB 3.31Å; G122-K126 WeakPolarHBondContact O-CB 3.42Å; G122-K126 PolarHBondContact O-N 2.93Å
123	Y	92.1	Very high	87.4	Confident	61 Å²	61	65.2 Å²	65.2	24%	0.239	33%	0.332	C	S	.	.	H	α-helix	trans	-71.5	-42.3	177.5	-74.4	-68.9	0	0	0	113.4	L94 C104 M107 L111 E119 A120 A121 K126 A127	L94-Y123 HydrophobicContact CD1-CD1 4.25Å; L94-Y123 HydrophobicContact CD1-CE1 3.56Å; C104-Y123 WeakPolarHBondContact O-CB 3.37Å; M107-Y123 HydrophobicContact CB-CD1 4.48Å; M107-Y123 HydrophobicContact CB-CG 4.45Å; M107-Y123 HydrophobicContact CE-CE2 4.32Å; M107-Y123 HydrophobicContact CG-CD1 4.25Å; M107-Y123 HydrophobicContact CG-CD2 3.93Å; M107-Y123 HydrophobicContact CG-CE1 4.16Å; M107-Y123 HydrophobicContact CG-CE2 3.81Å; M107-Y123 HydrophobicContact CG-CG 4.14Å; L111-Y123 HydrophobicContact CD1-CD2 3.41Å; L111-Y123 VanDerWaalsContact CD1-CD2 3.41Å; L111-Y123 HydrophobicContact CD1-CE2 3.48Å; L111-Y123 VanDerWaalsContact CD1-CE2 3.48Å; E119-Y123 WeakPolarHBondContact O-CD2 3.46Å; E119-Y123 PolarHBondContact O-N 3.38Å; A120-Y123 PolarHBondContact O-N 3.41Å; A120-Y123 VanDerWaalsContact O-N 3.16Å; A121-Y123 VanDerWaalsContact C-N 3.27Å; A121-Y123 PolarHBondContact O-N 3.49Å; Y123-K126 PolarHBondContact O-N 3.35Å; Y123-A127 WeakPolarHBondContact O-CB 3.13Å; Y123-A127 PolarHBondContact O-N 3.02Å
124	F	91.5	Very high	87.5	Confident	1 Å²	1	59.9 Å²	59.9	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-45.2	174.6	-60.7	-41.2	0	0	0	111.5	N105 G108 E109 F112 A120 A121 K126 A127 V128 N140 F141 V144	N105-F124 WeakPolarHBondContact O-CE1 3.5Å; G108-F124 VanDerWaalsContact CA-CE1 3.5Å; G108-F124 VanDerWaalsContact O-CZ 3.3Å; G108-F124 WeakPolarHBondContact O-CZ 3.3Å; E109-F124 HydrophobicContact CG-CE1 4.03Å; E109-F124 HydrophobicContact CG-CZ 4.31Å; F112-F124 HydrophobicContact CB-CE2 4.26Å; F112-F124 HydrophobicContact CB-CZ 4.18Å; A120-F124 HydrophobicContact CB-CD2 4.39Å; A120-F124 HydrophobicContact CB-CE2 3.86Å; A120-F124 HydrophobicContact CB-CZ 4.37Å; A120-F124 VanDerWaalsContact O-CD2 3.22Å; A120-F124 WeakPolarHBondContact O-CD2 3.17Å; A120-F124 VanDerWaalsContact O-CG 3.31Å; A120-F124 WeakPolarHBondContact O-CG 3.24Å; A120-F124 PolarHBondContact O-N 3.17Å; A121-F124 PolarHBondContact O-N 2.97Å; F124-K126 VanDerWaalsContact C-N 3.31Å; F124-K126 PolarHBondContact O-N 3.24Å; F124-A127 WeakPolarHBondContact O-CB 3.23Å; F124-A127 PolarHBondContact O-N 2.81Å; F124-A127 VanDerWaalsContact O-N 3.17Å; F124-V128 WeakPolarHBondContact O-CG2 2.76Å; F124-V128 PolarHBondContact O-N 3.23Å; F124-N140 HydrophobicContact CD1-CB 3.59Å; F124-N140 HydrophobicContact CD2-CB 4.03Å; F124-N140 HydrophobicContact CE1-CB 3.47Å; F124-N140 VanDerWaalsContact CE1-CB 3.47Å; F124-N140 HydrophobicContact CE2-CB 3.92Å; F124-N140 HydrophobicContact CG-CB 3.88Å; F124-N140 HydrophobicContact CZ-CB 3.65Å; F124-F141 HydrophobicContact CB-CB 3.79Å; F124-F141 HydrophobicContact CB-CD2 4.11Å; F124-F141 HydrophobicContact CB-CG 4.46Å; F124-V144 HydrophobicContact CD2-CG1 4.11Å; F124-V144 HydrophobicContact CD2-CG2 3.82Å; F124-V144 HydrophobicContact CE2-CG1 3.86Å; F124-V144 HydrophobicContact CE2-CG2 4.41Å
125	H	86.4	Confident	87.4	Confident	56 Å²	56	61.4 Å²	61.4	26%	0.259	33%	0.329	S	S	.	.	H	α-helix	trans	-60.7	-42.2	176.9	-172.8	72	0	0	0	111.5	A121 V128 K129 F141 Q731	A121-H125 VanDerWaalsContact O-CB 3.24Å; A121-H125 WeakPolarHBondContact O-CB 3.36Å; A121-H125 PolarHBondContact O-N 3.38Å; H125-V128 PolarHBondContact O-N 3.36Å; H125-K129 WeakPolarHBondContact O-CB 3.5Å; H125-K129 PolarHBondContact O-N 2.82Å; H125-F141 HydrophobicContact CB-CD2 3.87Å; H125-F141 HydrophobicContact CB-CE2 3.63Å; H125-F141 HydrophobicContact CB-CZ 4.44Å; H125-F141 AromaticContact ND1-CE2 3.77Å; H125-F141 AromaticContact ND1-CZ 3.7Å; H125-Q731 PolarHBondContact CE1-OE1 3.24Å
126	K	89.4	Confident	87.3	Confident	70 Å²	70	63 Å²	63	30%	0.304	33%	0.326	S	S	.	.	H	α-helix	trans	-61	-45.6	174.4	-175.3	178.2	174.5	-168.9	0	111.6	P98 G122 Y123 F124 V128 K129 L130	P98-K126 WeakPolarHBondContact O-CE 3.29Å; P98-K126 PolarHBondContact O-NZ 3.24Å; G122-K126 VanDerWaalsContact O-CB 3.31Å; G122-K126 WeakPolarHBondContact O-CB 3.42Å; G122-K126 PolarHBondContact O-N 2.93Å; Y123-K126 PolarHBondContact O-N 3.35Å; F124-K126 VanDerWaalsContact C-N 3.31Å; F124-K126 PolarHBondContact O-N 3.24Å; K126-V128 PolarHBondContact O-N 2.93Å; K126-K129 PolarHBondContact O-N 3.32Å; K126-L130 HydrophobicContact CG-CD1 4.05Å; K126-L130 HydrophobicContact CG-CG 4.48Å; K126-L130 WeakPolarHBondContact O-CB 3.38Å; K126-L130 VanDerWaalsContact O-CG 3.27Å; K126-L130 WeakPolarHBondContact O-CG 3.27Å; K126-L130 PolarHBondContact O-N 3.43Å
127	A	93.2	Very high	87.3	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.2	-44.3	176.6	0	0	0	0	0	112.1	E101 C104 N105 Y123 F124 K129 L130 N131 A137	E101-A127 HydrophobicContact CB-CB 4.38Å; E101-A127 WeakPolarHBondContact O-CB 3.38Å; C104-A127 HydrophobicContact CB-CB 3.9Å; N105-A127 HydrophobicContact CB-CB 4.27Å; Y123-A127 WeakPolarHBondContact O-CB 3.13Å; Y123-A127 PolarHBondContact O-N 3.02Å; F124-A127 WeakPolarHBondContact O-CB 3.23Å; F124-A127 PolarHBondContact O-N 2.81Å; F124-A127 VanDerWaalsContact O-N 3.17Å; A127-K129 VanDerWaalsContact C-N 3.33Å; A127-K129 PolarHBondContact O-N 3.43Å; A127-L130 PolarHBondContact O-N 2.89Å; A127-N131 PolarHBondContact O-N 3.48Å; A127-A137 HydrophobicContact CB-CB 3.65Å
128	V	89.8	Confident	87.2	Confident	29 Å²	29	56.6 Å²	56.6	18%	0.176	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-37.9	175.8	174	0	0	0	0	111.8	F124 H125 K126 N131 P132 A137 K138 F141	F124-V128 WeakPolarHBondContact O-CG2 2.76Å; F124-V128 PolarHBondContact O-N 3.23Å; H125-V128 PolarHBondContact O-N 3.36Å; K126-V128 PolarHBondContact O-N 2.93Å; V128-N131 CarbonylContact O-C 3.42Å; V128-P132 VanDerWaalsContact O-CA 3.3Å; V128-P132 WeakPolarHBondContact O-CA 3.42Å; V128-P132 VanDerWaalsContact O-N 3.12Å; V128-A137 HydrophobicContact CG2-CB 3.99Å; V128-A137 WeakPolarHBondContact CG2-O 3.27Å; V128-K138 HydrophobicContact CG1-CG 4.14Å; V128-K138 HydrophobicContact CG2-CB 4.4Å; V128-K138 HydrophobicContact CG2-CG 3.92Å; V128-F141 HydrophobicContact CG2-CB 4.17Å
129	K	88.1	Confident	87.1	Confident	166 Å²	166	55.3 Å²	55.3	72%	0.722	29%	0.292	S	S	*	.	H	α-helix	trans	-68.8	-38	177.1	-173.8	177.3	-178.9	175.3	0	112.4	H125 K126 A127	H125-K129 WeakPolarHBondContact O-CB 3.5Å; H125-K129 PolarHBondContact O-N 2.82Å; K126-K129 PolarHBondContact O-N 3.32Å; A127-K129 VanDerWaalsContact C-N 3.33Å; A127-K129 PolarHBondContact O-N 3.43Å
130	L	92.3	Very high	87	Confident	62 Å²	62	51.3 Å²	51.3	33%	0.325	27%	0.274	S	S	.	.	H	α-helix	trans	-69.3	-44.4	177.2	-72.3	168.3	0	0	0	111.3	D99 E101 K126 A127	D99-L130 HydrophobicContact CB-CD2 3.76Å; E101-L130 HydrophobicContact CB-CB 4.03Å; E101-L130 HydrophobicContact CB-CD1 4.44Å; K126-L130 HydrophobicContact CG-CD1 4.05Å; K126-L130 HydrophobicContact CG-CG 4.48Å; K126-L130 WeakPolarHBondContact O-CB 3.38Å; K126-L130 VanDerWaalsContact O-CG 3.27Å; K126-L130 WeakPolarHBondContact O-CG 3.27Å; K126-L130 PolarHBondContact O-N 3.43Å; A127-L130 PolarHBondContact O-N 2.89Å
131	N	91.3	Very high	86.9	Confident	48 Å²	48	51.6 Å²	51.6	26%	0.257	28%	0.275	S	S	.	.			trans	-133.8	93.8	178.2	-175.3	-7.7	0	0	0	110.7	E101 A127 V128 D133 F134	E101-N131 HydrophobicContact CB-CB 4.07Å; E101-N131 HydrophobicContact CG-CB 3.8Å; E101-N131 PolarHBondContact OE1-ND2 3.08Å; A127-N131 PolarHBondContact O-N 3.48Å; V128-N131 CarbonylContact O-C 3.42Å; N131-D133 PolarHBondContact O-N 3.13Å; N131-D133 PolarHBondContact OD1-N 2.92Å; N131-F134 HydrophobicContact CB-CB 3.96Å; N131-F134 WeakPolarHBondContact O-CB 3.49Å; N131-F134 PolarHBondContact O-N 2.74Å; N131-F134 PolarHBondContact OD1-N 2.97Å
132	P	85.6	Confident	86.7	Confident	75 Å²	75	54.2 Å²	54.2	49%	0.487	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-5.3	177.4	-23.6	34.7	0	0	0	114.7	V128 K138	V128-P132 VanDerWaalsContact O-CA 3.3Å; V128-P132 WeakPolarHBondContact O-CA 3.42Å; V128-P132 VanDerWaalsContact O-N 3.12Å; P132-K138 WeakPolarHBondContact O-CE 3.46Å; P132-K138 PolarHBondContact O-NZ 2.8Å
133	D	83.9	Confident	86.4	Confident	135 Å²	135	56 Å²	56	72%	0.722	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	0.8	174.8	-66.8	-38.5	0	0	0	112.3	N131 S135	N131-D133 PolarHBondContact O-N 3.13Å; N131-D133 PolarHBondContact OD1-N 2.92Å; D133-S135 PolarHBondContact O-N 3.09Å
134	F	85.9	Confident	85.9	Confident	32 Å²	32	53.1 Å²	53.1	14%	0.14	27%	0.265	C	S	.	.			trans	-74.3	99	178.6	-169.9	-167	0	0	0	110.9	E101 N105 N131 D136 A137 K138	E101-F134 HydrophobicContact CB-CD1 4.07Å; E101-F134 HydrophobicContact CB-CE1 4.48Å; E101-F134 HydrophobicContact CG-CD1 3.77Å; E101-F134 HydrophobicContact CG-CE1 4.16Å; N105-F134 HydrophobicContact CB-CE1 3.6Å; N105-F134 HydrophobicContact CB-CZ 4.07Å; N131-F134 HydrophobicContact CB-CB 3.96Å; N131-F134 WeakPolarHBondContact O-CB 3.49Å; N131-F134 PolarHBondContact O-N 2.74Å; N131-F134 PolarHBondContact OD1-N 2.97Å; F134-D136 HydrophobicContact CD2-CB 4.3Å; F134-D136 HydrophobicContact CE2-CB 3.71Å; F134-D136 HydrophobicContact CZ-CB 4.17Å; F134-D136 PolarHBondContact O-N 3.46Å; F134-A137 HydrophobicContact CB-CB 4.21Å; F134-A137 HydrophobicContact CD1-CB 3.38Å; F134-A137 HydrophobicContact CE1-CB 3.84Å; F134-A137 HydrophobicContact CG-CB 3.83Å; F134-A137 PolarHBondContact O-N 3.46Å; F134-K138 PolarHBondContact O-N 3.33Å; F134-K138 VanDerWaalsContact O-N 3.14Å
135	S	80.3	Confident	85.5	Confident	84 Å²	84	53.1 Å²	53.1	59%	0.587	27%	0.265	S	S	*	.	H	α-helix	trans	-63.7	-43.1	-172	-61.5	0	0	0	0	112.7	D133 A137 K138 E139	D133-S135 PolarHBondContact O-N 3.09Å; S135-A137 PolarHBondContact O-N 3Å; S135-K138 WeakPolarHBondContact O-CB 3.22Å; S135-K138 PolarHBondContact O-N 2.96Å; S135-E139 WeakPolarHBondContact O-CB 3.42Å; S135-E139 PolarHBondContact O-N 3.46Å
136	D	82.3	Confident	85.1	Confident	81 Å²	81	53.4 Å²	53.4	43%	0.433	27%	0.269	S	S	.	.	H	α-helix	trans	-63.6	-44.2	-178.8	-55.8	-19.8	0	0	0	111.3	F134 K138 E139 N140	F134-D136 HydrophobicContact CD2-CB 4.3Å; F134-D136 HydrophobicContact CE2-CB 3.71Å; F134-D136 HydrophobicContact CZ-CB 4.17Å; F134-D136 PolarHBondContact O-N 3.46Å; D136-K138 PolarHBondContact O-N 3.45Å; D136-E139 PolarHBondContact O-N 2.79Å; D136-N140 WeakPolarHBondContact O-CB 3.24Å; D136-N140 PolarHBondContact O-N 2.7Å; D136-N140 PolarHBondContact O-ND2 3.2Å
137	A	87.1	Confident	84.6	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-39.4	176.6	0	0	0	0	0	113.1	N105 A127 V128 F134 S135 F141	N105-A137 HydrophobicContact CB-CB 4.27Å; N105-A137 VanDerWaalsContact OD1-CA 3.27Å; N105-A137 WeakPolarHBondContact OD1-CA 3.37Å; A127-A137 HydrophobicContact CB-CB 3.65Å; V128-A137 HydrophobicContact CG2-CB 3.99Å; V128-A137 WeakPolarHBondContact CG2-O 3.27Å; F134-A137 HydrophobicContact CB-CB 4.21Å; F134-A137 HydrophobicContact CD1-CB 3.38Å; F134-A137 HydrophobicContact CE1-CB 3.84Å; F134-A137 HydrophobicContact CG-CB 3.83Å; F134-A137 PolarHBondContact O-N 3.46Å; S135-A137 PolarHBondContact O-N 3Å; A137-F141 VanDerWaalsContact O-CB 3.26Å; A137-F141 WeakPolarHBondContact O-CB 3.46Å; A137-F141 PolarHBondContact O-N 3.4Å
138	K	83.6	Confident	84	Confident	62 Å²	62	57.5 Å²	57.5	27%	0.27	28%	0.283	S	S	.	.	H	α-helix	trans	-61.3	-48.2	173.6	-80	-177.4	175.7	171.1	0	111.2	V128 P132 F134 S135 D136 F141 Y142	V128-K138 HydrophobicContact CG1-CG 4.14Å; V128-K138 HydrophobicContact CG2-CB 4.4Å; V128-K138 HydrophobicContact CG2-CG 3.92Å; P132-K138 WeakPolarHBondContact O-CE 3.46Å; P132-K138 PolarHBondContact O-NZ 2.8Å; F134-K138 PolarHBondContact O-N 3.33Å; F134-K138 VanDerWaalsContact O-N 3.14Å; S135-K138 WeakPolarHBondContact O-CB 3.22Å; S135-K138 PolarHBondContact O-N 2.96Å; D136-K138 PolarHBondContact O-N 3.45Å; K138-F141 PolarHBondContact O-N 3.43Å; K138-Y142 HydrophobicContact CB-CD2 4.41Å; K138-Y142 HydrophobicContact CB-CE2 3.87Å; K138-Y142 WeakPolarHBondContact O-CD2 3.39Å; K138-Y142 PolarHBondContact O-N 2.96Å
139	E	79.3	Confident	83.9	Confident	58 Å²	58	56.1 Å²	56.1	27%	0.271	28%	0.275	S	S	.	.	H	α-helix	trans	-61.1	-49.1	-178.8	-165.5	-160.8	116	0	0	111.1	S135 D136 F141 Y142 R143 N838	S135-E139 WeakPolarHBondContact O-CB 3.42Å; S135-E139 PolarHBondContact O-N 3.46Å; D136-E139 PolarHBondContact O-N 2.79Å; E139-F141 VanDerWaalsContact C-N 3.31Å; E139-F141 PolarHBondContact O-N 3.16Å; E139-Y142 PolarHBondContact O-N 3.33Å; E139-Y142 VanDerWaalsContact O-N 3.15Å; E139-R143 WeakPolarHBondContact O-CG 3.47Å; E139-R143 PolarHBondContact O-N 3.4Å; E139-N838 PolarHBondContact OE1-ND2 3.04Å; E139-N838 PolarHBondContact OE1-OD1 2.94Å; E139-N838 VanDerWaalsContact OE2-CG 3.32Å; E139-N838 PolarHBondContact OE2-ND2 3.04Å
140	N	84.8	Confident	83.8	Confident	8 Å²	8	52.1 Å²	52.1	4%	0.043	26%	0.259	C	S	.	.	H	α-helix	trans	-60.1	-40.8	175.6	-76.3	-29.2	0	0	0	112.1	N105 E109 F124 D136 R143 V144	N105-N140 PolarHBondContact OD1-ND2 2.84Å; E109-N140 WeakPolarHBondContact CG-ND2 3.34Å; E109-N140 PolarHBondContact OE1-ND2 3.15Å; F124-N140 HydrophobicContact CD1-CB 3.59Å; F124-N140 HydrophobicContact CD2-CB 4.03Å; F124-N140 HydrophobicContact CE1-CB 3.47Å; F124-N140 VanDerWaalsContact CE1-CB 3.47Å; F124-N140 HydrophobicContact CE2-CB 3.92Å; F124-N140 HydrophobicContact CG-CB 3.88Å; F124-N140 HydrophobicContact CZ-CB 3.65Å; D136-N140 WeakPolarHBondContact O-CB 3.24Å; D136-N140 PolarHBondContact O-N 2.7Å; D136-N140 PolarHBondContact O-ND2 3.2Å; N140-R143 PolarHBondContact O-N 3.02Å; N140-R143 PolarHBondContact OD1-NH1 3.48Å; N140-R143 VanDerWaalsContact OD1-NH1 3.17Å; N140-V144 PolarHBondContact O-N 3.33Å
141	F	86.7	Confident	83.6	Confident	6 Å²	6	51 Å²	51	3%	0.026	25%	0.25	C	C	.	.	H	α-helix	trans	-62	-44.6	173.6	-177.7	-105.7	0	0	0	112	F124 H125 V128 A137 K138 E139 R143 V144 A145 Q731 F732	F124-F141 HydrophobicContact CB-CB 3.79Å; F124-F141 HydrophobicContact CB-CD2 4.11Å; F124-F141 HydrophobicContact CB-CG 4.46Å; H125-F141 HydrophobicContact CB-CD2 3.87Å; H125-F141 HydrophobicContact CB-CE2 3.63Å; H125-F141 HydrophobicContact CB-CZ 4.44Å; H125-F141 AromaticContact ND1-CE2 3.77Å; H125-F141 AromaticContact ND1-CZ 3.7Å; V128-F141 HydrophobicContact CG2-CB 4.17Å; A137-F141 VanDerWaalsContact O-CB 3.26Å; A137-F141 WeakPolarHBondContact O-CB 3.46Å; A137-F141 PolarHBondContact O-N 3.4Å; K138-F141 PolarHBondContact O-N 3.43Å; E139-F141 VanDerWaalsContact C-N 3.31Å; E139-F141 PolarHBondContact O-N 3.16Å; F141-R143 VanDerWaalsContact C-N 3.31Å; F141-R143 PolarHBondContact O-N 3.27Å; F141-V144 HydrophobicContact CD2-CG2 4.34Å; F141-V144 WeakPolarHBondContact O-CG2 3.29Å; F141-V144 PolarHBondContact O-N 2.84Å; F141-A145 HydrophobicContact CE1-CB 4.33Å; F141-A145 WeakPolarHBondContact O-CB 3.5Å; F141-A145 PolarHBondContact O-N 3.37Å; F141-Q731 VanDerWaalsContact CE1-O 3.29Å; F141-Q731 WeakPolarHBondContact CE1-O 3.48Å; F141-F732 HydrophobicContact CE2-CD1 4.49Å; F141-F732 HydrophobicContact CE2-CE1 4.34Å; F141-F732 AromaticContact CZ-CD1 3.75Å; F141-F732 HydrophobicContact CZ-CD1 3.75Å; F141-F732 AromaticContact CZ-CE1 3.9Å; F141-F732 HydrophobicContact CZ-CE1 3.9Å
142	Y	81.9	Confident	83.5	Confident	59 Å²	59	53.1 Å²	53.1	23%	0.231	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-35.7	178.4	-63	-40.2	0	0	0	112.7	K138 E139 V144 A145 Q733 P735	K138-Y142 HydrophobicContact CB-CD2 4.41Å; K138-Y142 HydrophobicContact CB-CE2 3.87Å; K138-Y142 WeakPolarHBondContact O-CD2 3.39Å; K138-Y142 PolarHBondContact O-N 2.96Å; E139-Y142 PolarHBondContact O-N 3.33Å; E139-Y142 VanDerWaalsContact O-N 3.15Å; Y142-V144 VanDerWaalsContact C-N 3.3Å; Y142-V144 PolarHBondContact O-N 3.25Å; Y142-A145 PolarHBondContact O-N 2.95Å; Y142-Q733 WeakPolarHBondContact CD1-O 3.47Å; Y142-Q733 WeakPolarHBondContact CE1-O 3.47Å; Y142-P735 HydrophobicContact CD2-CG 3.47Å; Y142-P735 VanDerWaalsContact CD2-CG 3.47Å; Y142-P735 HydrophobicContact CE2-CG 3.59Å; Y142-P735 HydrophobicContact CG-CG 4.02Å
143	R	78.3	Confident	83.9	Confident	84 Å²	84	50.3 Å²	50.3	32%	0.317	24%	0.235	S	C	.	.	H	α-helix	trans	-60.4	-39	175	-71.7	170.5	65.2	-161.8	6.2	112	E139 N140 F141 W147	E139-R143 WeakPolarHBondContact O-CG 3.47Å; E139-R143 PolarHBondContact O-N 3.4Å; N140-R143 PolarHBondContact O-N 3.02Å; N140-R143 PolarHBondContact OD1-NH1 3.48Å; N140-R143 VanDerWaalsContact OD1-NH1 3.17Å; F141-R143 VanDerWaalsContact C-N 3.31Å; F141-R143 PolarHBondContact O-N 3.27Å; R143-W147 VanDerWaalsContact O-CD1 3.3Å
144	V	82.9	Confident	84.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-84.4	-28.9	176.2	-62.9	0	0	0	0	113	F112 A121 F124 N140 F141 Y142 N146 W147 L148	F112-V144 HydrophobicContact CD2-CG1 3.38Å; F112-V144 HydrophobicContact CE2-CG1 3.54Å; F112-V144 HydrophobicContact CG-CG1 4.44Å; A121-V144 HydrophobicContact CB-CB 4.31Å; A121-V144 HydrophobicContact CB-CG2 3.7Å; F124-V144 HydrophobicContact CD2-CG1 4.11Å; F124-V144 HydrophobicContact CD2-CG2 3.82Å; F124-V144 HydrophobicContact CE2-CG1 3.86Å; F124-V144 HydrophobicContact CE2-CG2 4.41Å; N140-V144 PolarHBondContact O-N 3.33Å; F141-V144 HydrophobicContact CD2-CG2 4.34Å; F141-V144 WeakPolarHBondContact O-CG2 3.29Å; F141-V144 PolarHBondContact O-N 2.84Å; Y142-V144 VanDerWaalsContact C-N 3.3Å; Y142-V144 PolarHBondContact O-N 3.25Å; V144-N146 PolarHBondContact O-N 2.9Å; V144-N146 VanDerWaalsContact O-N 3.14Å; V144-W147 WeakPolarHBondContact O-CA 3.31Å; V144-W147 WeakPolarHBondContact O-CB 3.42Å; V144-W147 PolarHBondContact O-N 3.02Å; V144-L148 HydrophobicContact CB-CD1 4.4Å; V144-L148 HydrophobicContact CG2-CD1 4.12Å; V144-L148 WeakPolarHBondContact O-CG 3.45Å; V144-L148 PolarHBondContact O-N 3.05Å
145	A	82.8	Confident	84.6	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56.3	-37	-174.7	0	0	0	0	0	112.9	F141 Y142 W147 L148 V149 R151 V734	F141-A145 HydrophobicContact CE1-CB 4.33Å; F141-A145 WeakPolarHBondContact O-CB 3.5Å; F141-A145 PolarHBondContact O-N 3.37Å; Y142-A145 PolarHBondContact O-N 2.95Å; A145-W147 PolarHBondContact O-N 3.44Å; A145-L148 PolarHBondContact O-N 2.91Å; A145-V149 PolarHBondContact O-N 2.84Å; A145-R151 PolarHBondContact O-NH2 2.88Å; A145-V734 HydrophobicContact CB-CG2 4.06Å
146	N	77.1	Confident	85.3	Confident	63 Å²	63	41.1 Å²	41.1	34%	0.337	18%	0.18	S	C	.	.	H	α-helix	trans	-61	-28.1	174.7	-79.5	-31.5	0	0	0	113.8	V144 R151 V734	V144-N146 PolarHBondContact O-N 2.9Å; V144-N146 VanDerWaalsContact O-N 3.14Å; N146-R151 WeakPolarHBondContact OD1-CD 3.32Å; N146-R151 PolarHBondContact OD1-NE 2.86Å; N146-V734 WeakPolarHBondContact OD1-CG2 3.23Å
147	W	78.7	Confident	86	Confident	149 Å²	149	37.5 Å²	37.5	56%	0.564	16%	0.16	S	C	*	.	H	α-helix	trans	-86.3	-28.8	178.5	-64.1	84.6	0	0	0	113	R143 V144 A145	R143-W147 VanDerWaalsContact O-CD1 3.3Å; V144-W147 WeakPolarHBondContact O-CA 3.31Å; V144-W147 WeakPolarHBondContact O-CB 3.42Å; V144-W147 PolarHBondContact O-N 3.02Å; A145-W147 PolarHBondContact O-N 3.44Å
148	L	81.9	Confident	86.4	Confident	7 Å²	7	37.6 Å²	37.6	4%	0.037	16%	0.161	C	C	.	.	H	α-helix	trans	-84.2	-31.7	-173.8	-58.2	166	0	0	0	113.2	D118 A121 V144 A145 T211 F732	D118-L148 VanDerWaalsContact OD1-CD2 3.26Å; D118-L148 WeakPolarHBondContact OD1-CD2 3.4Å; A121-L148 HydrophobicContact CB-CD1 3.18Å; A121-L148 HydrophobicContact CB-CD2 3.82Å; A121-L148 HydrophobicContact CB-CG 4.04Å; V144-L148 HydrophobicContact CB-CD1 4.4Å; V144-L148 HydrophobicContact CG2-CD1 4.12Å; V144-L148 WeakPolarHBondContact O-CG 3.45Å; V144-L148 PolarHBondContact O-N 3.05Å; A145-L148 PolarHBondContact O-N 2.91Å; L148-T211 HydrophobicContact CB-CG2 4.09Å; L148-F732 HydrophobicContact CD1-CD1 4.45Å; L148-F732 HydrophobicContact CD1-CE1 4.21Å
149	V	86.9	Confident	87	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-134.9	114.9	-178.6	179.8	0	0	0	0	107.4	A145 R151 H153 F154 T211 M212 I729 F732	A145-V149 PolarHBondContact O-N 2.84Å; V149-R151 VanDerWaalsContact O-CZ 3.26Å; V149-R151 PolarHBondContact O-NE 3.47Å; V149-R151 PolarHBondContact O-NH2 2.9Å; V149-H153 HydrophobicContact CG1-CB 4.4Å; V149-F154 HydrophobicContact CG1-CE2 4.21Å; V149-T211 HydrophobicContact CG2-CG2 4.01Å; V149-M212 HydrophobicContact CB-SD 4.44Å; V149-M212 HydrophobicContact CG1-SD 4.04Å; V149-M212 HydrophobicContact CG2-SD 3.92Å; V149-I729 HydrophobicContact CG1-CD1 4.29Å; V149-I729 HydrophobicContact CG1-CG1 4.31Å; V149-F732 HydrophobicContact CB-CB 4.29Å; V149-F732 HydrophobicContact CG2-CB 4.01Å; V149-F732 HydrophobicContact CG2-CD1 3.85Å; V149-F732 HydrophobicContact CG2-CD2 4.08Å; V149-F732 HydrophobicContact CG2-CE1 4.33Å; V149-F732 HydrophobicContact CG2-CG 3.71Å
150	E	86.8	Confident	87.7	Confident	82 Å²	82	35.7 Å²	35.7	38%	0.383	16%	0.158	S	C	.	.			trans	-63.7	140.7	176.9	-62.2	83.6	177.5	0	0	110.6	W152 H153	E150-W152 HydrophobicContact CB-CD2 4.15Å; E150-W152 HydrophobicContact CB-CG 4.13Å; E150-W152 HydrophobicContact CB-CZ2 4.18Å; E150-W152 HydrophobicContact CG-CZ2 4.37Å; E150-W152 PolarHBondContact O-N 3.34Å; E150-H153 WeakPolarHBondContact O-CB 3.39Å; E150-H153 PolarHBondContact O-CD2 3.31Å; E150-H153 PolarHBondContact O-N 2.92Å; E150-H153 IonicContact OE2-CD2 2.87Å; E150-H153 IonicContact OE2-NE2 2.93Å
151	R	87.8	Confident	88.2	Confident	38 Å²	38	40.5 Å²	40.5	14%	0.143	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-25.1	-172.3	-60.4	-60.1	94.6	173.9	7	112.9	A145 N146 V149 H153 F154 F732	A145-R151 PolarHBondContact O-NH2 2.88Å; N146-R151 WeakPolarHBondContact OD1-CD 3.32Å; N146-R151 PolarHBondContact OD1-NE 2.86Å; V149-R151 VanDerWaalsContact O-CZ 3.26Å; V149-R151 PolarHBondContact O-NE 3.47Å; V149-R151 PolarHBondContact O-NH2 2.9Å; R151-H153 PolarHBondContact O-N 3.42Å; R151-F154 PolarHBondContact O-N 2.82Å; R151-F732 PolarHBondContact NH1-O 3.4Å; R151-F732 PolarHBondContact NH2-O 2.95Å
152	W	88.4	Confident	88.6	Confident	92 Å²	92	40.7 Å²	40.7	35%	0.348	18%	0.179	S	C	.	.	H	α-helix	trans	-63.1	-24.4	178.1	54.3	-107.3	0	0	0	112.7	E150 F154 I155 M156	E150-W152 HydrophobicContact CB-CD2 4.15Å; E150-W152 HydrophobicContact CB-CG 4.13Å; E150-W152 HydrophobicContact CB-CZ2 4.18Å; E150-W152 HydrophobicContact CG-CZ2 4.37Å; E150-W152 PolarHBondContact O-N 3.34Å; W152-F154 VanDerWaalsContact C-N 3.26Å; W152-F154 PolarHBondContact O-N 3.48Å; W152-I155 PolarHBondContact O-N 3.08Å; W152-I155 VanDerWaalsContact O-N 3.13Å; W152-M156 HydrophobicContact CE3-CE 3.24Å; W152-M156 HydrophobicContact CE3-CG 4.2Å; W152-M156 HydrophobicContact CE3-SD 4.09Å; W152-M156 HydrophobicContact CH2-CE 4.27Å; W152-M156 HydrophobicContact CZ3-CE 3.08Å; W152-M156 HydrophobicContact CZ3-SD 4.4Å; W152-M156 WeakPolarHBondContact O-CB 3.41Å; W152-M156 VanDerWaalsContact O-CG 3.28Å; W152-M156 WeakPolarHBondContact O-CG 3.49Å; W152-M156 PolarHBondContact O-N 3.16Å
153	H	93.4	Very high	89.3	Confident	17 Å²	17	37.9 Å²	37.9	8%	0.079	17%	0.168	C	C	.	.	H	α-helix	trans	-55.1	-40	174.7	-78.6	-58.2	0	0	0	112.8	V149 E150 R151 L157 I729	V149-H153 HydrophobicContact CG1-CB 4.4Å; E150-H153 WeakPolarHBondContact O-CB 3.39Å; E150-H153 PolarHBondContact O-CD2 3.31Å; E150-H153 PolarHBondContact O-N 2.92Å; E150-H153 IonicContact OE2-CD2 2.87Å; E150-H153 IonicContact OE2-NE2 2.93Å; R151-H153 PolarHBondContact O-N 3.42Å; H153-L157 VanDerWaalsContact O-CB 3.31Å; H153-L157 WeakPolarHBondContact O-CB 3.21Å; H153-L157 WeakPolarHBondContact O-CD1 3.36Å; H153-L157 WeakPolarHBondContact O-CG 3.36Å; H153-L157 PolarHBondContact O-N 3.21Å; H153-I729 HydrophobicContact CB-CD1 3.78Å
154	F	94.1	Very high	90.3	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.4	-44.4	179	-64.4	-85.2	0	0	0	111.4	V149 R151 W152 N158 E711 N712 V714 I729 F732 Q733	V149-F154 HydrophobicContact CG1-CE2 4.21Å; R151-F154 PolarHBondContact O-N 2.82Å; W152-F154 VanDerWaalsContact C-N 3.26Å; W152-F154 PolarHBondContact O-N 3.48Å; F154-N158 WeakPolarHBondContact O-CB 3.23Å; F154-N158 PolarHBondContact O-N 3.42Å; F154-N158 PolarHBondContact O-ND2 3.42Å; F154-N158 VanDerWaalsContact O-ND2 3.11Å; F154-E711 WeakPolarHBondContact CB-O 3.17Å; F154-N712 WeakPolarHBondContact CD1-O 3.31Å; F154-V714 HydrophobicContact CD1-CG2 4.01Å; F154-I729 HydrophobicContact CE1-CG1 3.96Å; F154-I729 HydrophobicContact CE1-CG2 4.22Å; F154-I729 WeakPolarHBondContact CE1-O 3.42Å; F154-I729 HydrophobicContact CZ-CG1 3.96Å; F154-I729 WeakPolarHBondContact CZ-O 3.26Å; F154-F732 HydrophobicContact CZ-CB 4.46Å; F154-Q733 HydrophobicContact CE1-CG 4.12Å
155	I	92.4	Very high	91	Very high	47 Å²	47	38.4 Å²	38.4	24%	0.241	18%	0.179	C	C	.	.	H	α-helix	trans	-64.1	-47.1	179.4	-45.9	178	0	0	0	109.9	W152 N158 D159 C431 E711	W152-I155 PolarHBondContact O-N 3.08Å; W152-I155 VanDerWaalsContact O-N 3.13Å; I155-N158 CarbonylContact O-C 3.54Å; I155-N158 PolarHBondContact O-N 3.14Å; I155-N158 VanDerWaalsContact O-N 3.15Å; I155-D159 PolarHBondContact O-N 3.09Å; I155-C431 HydrophobicContact CB-CB 4.37Å; I155-C431 HydrophobicContact CG2-CB 3.57Å; I155-E711 HydrophobicContact CD1-CB 4.33Å; I155-E711 HydrophobicContact CD1-CG 3.9Å; I155-E711 HydrophobicContact CG1-CB 4.14Å; I155-E711 HydrophobicContact CG1-CG 3.93Å
156	M	94.6	Very high	91.8	Very high	10 Å²	10	38.5 Å²	38.5	5%	0.049	18%	0.179	C	C	.	.	H	α-helix	trans	-66.9	-37.2	-179	-69.6	-140.7	-53.8	0	0	113.6	W152 N158 D159 R162 E255 C431 W432	W152-M156 HydrophobicContact CE3-CE 3.24Å; W152-M156 HydrophobicContact CE3-CG 4.2Å; W152-M156 HydrophobicContact CE3-SD 4.09Å; W152-M156 HydrophobicContact CH2-CE 4.27Å; W152-M156 HydrophobicContact CZ3-CE 3.08Å; W152-M156 HydrophobicContact CZ3-SD 4.4Å; W152-M156 WeakPolarHBondContact O-CB 3.41Å; W152-M156 VanDerWaalsContact O-CG 3.28Å; W152-M156 WeakPolarHBondContact O-CG 3.49Å; W152-M156 PolarHBondContact O-N 3.16Å; M156-N158 VanDerWaalsContact C-N 3.28Å; M156-D159 PolarHBondContact O-N 3Å; M156-R162 PolarHBondContact O-NH1 3.18Å; M156-E255 WeakPolarHBondContact CE-OE2 3.32Å; M156-C431 HydrophobicContact CG-CB 4.43Å; M156-W432 HydrophobicContact SD-CH2 3.82Å; M156-W432 HydrophobicContact SD-CZ2 3.38Å; M156-W432 WeakPolarHBondContact SD-CZ2 3.36Å
157	L	96.9	Very high	92.8	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.026	17%	0.17	C	C	.	.	H	α-helix	trans	-69.9	-29	173.5	-73.4	167.8	0	0	0	111.9	H153 N163 T188 I190 V714 T720 I725 I729	H153-L157 VanDerWaalsContact O-CB 3.31Å; H153-L157 WeakPolarHBondContact O-CB 3.21Å; H153-L157 WeakPolarHBondContact O-CD1 3.36Å; H153-L157 WeakPolarHBondContact O-CG 3.36Å; H153-L157 PolarHBondContact O-N 3.21Å; L157-N163 PolarHBondContact O-ND2 3.34Å; L157-T188 HydrophobicContact CD1-CG2 3.87Å; L157-I190 HydrophobicContact CD2-CD1 3.82Å; L157-I190 HydrophobicContact CD2-CG2 4.49Å; L157-V714 HydrophobicContact CB-CG1 4.23Å; L157-V714 HydrophobicContact CB-CG2 3.68Å; L157-V714 HydrophobicContact CD1-CG2 3.71Å; L157-V714 HydrophobicContact CG-CG2 4.36Å; L157-T720 HydrophobicContact CB-CG2 4.34Å; L157-T720 HydrophobicContact CD2-CG2 4.14Å; L157-I725 HydrophobicContact CD1-CG2 4Å; L157-I725 HydrophobicContact CD2-CD1 4.01Å; L157-I725 HydrophobicContact CD2-CG2 4.33Å; L157-I729 HydrophobicContact CD1-CD1 3.56Å; L157-I729 HydrophobicContact CD1-CG2 4.17Å
158	N	96.1	Very high	93.7	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.016	15%	0.154	C	C	.	.	H	α-helix	trans	-79.8	-17.5	173.8	-77.8	-35.8	0	0	0	113.7	F154 I155 M156 T160 E710 A713 V714 Q715 R719	F154-N158 WeakPolarHBondContact O-CB 3.23Å; F154-N158 PolarHBondContact O-N 3.42Å; F154-N158 PolarHBondContact O-ND2 3.42Å; F154-N158 VanDerWaalsContact O-ND2 3.11Å; I155-N158 CarbonylContact O-C 3.54Å; I155-N158 PolarHBondContact O-N 3.14Å; I155-N158 VanDerWaalsContact O-N 3.15Å; M156-N158 VanDerWaalsContact C-N 3.28Å; N158-T160 PolarHBondContact O-N 2.82Å; N158-T160 PolarHBondContact O-OG1 2.99Å; N158-E710 HydrophobicContact CB-CB 4.43Å; N158-E710 WeakPolarHBondContact ND2-CA 3.35Å; N158-E710 PolarHBondContact ND2-O 3.37Å; N158-A713 PolarHBondContact ND2-O 3.27Å; N158-V714 WeakPolarHBondContact OD1-CA 3.25Å; N158-Q715 PolarHBondContact OD1-N 3.3Å; N158-R719 WeakPolarHBondContact O-CD 3.4Å; N158-R719 PolarHBondContact O-NH1 3.39Å; N158-R719 WeakPolarHBondContact OD1-CD 3.42Å
159	D	95.2	Very high	94.5	Very high	26 Å²	26	30.6 Å²	30.6	14%	0.139	15%	0.152	C	C	.	.			trans	-72.8	89.4	174.8	-169.4	-22.8	0	0	0	111	I155 M156 K161 R162 N163 C431	I155-D159 PolarHBondContact O-N 3.09Å; M156-D159 PolarHBondContact O-N 3Å; D159-K161 VanDerWaalsContact C-N 3.27Å; D159-K161 PolarHBondContact O-N 3.36Å; D159-K161 PolarHBondContact OD1-N 3.13Å; D159-K161 VanDerWaalsContact OD1-N 3.09Å; D159-R162 HydrophobicContact CB-CB 3.93Å; D159-R162 VanDerWaalsContact CG-CB 3.43Å; D159-R162 PolarHBondContact O-N 3.22Å; D159-R162 PolarHBondContact OD1-N 2.98Å; D159-N163 WeakPolarHBondContact O-CB 3.35Å; D159-N163 PolarHBondContact O-N 2.82Å; D159-N163 PolarHBondContact O-ND2 3.03Å; D159-C431 HydrophobicContact CB-CB 4.19Å; D159-C431 PolarHBondContact OD2-SG 3.31Å
160	T	94.4	Very high	95.1	Very high	54 Å²	54	30.6 Å²	30.6	33%	0.331	15%	0.152	S	C	.	.	H	α-helix	trans	-67.6	-29.8	-178	-52.1	0	0	0	0	111.6	N158 T164 R719 L721	N158-T160 PolarHBondContact O-N 2.82Å; N158-T160 PolarHBondContact O-OG1 2.99Å; T160-T164 VanDerWaalsContact O-CB 3.28Å; T160-T164 WeakPolarHBondContact O-CB 3.33Å; T160-T164 PolarHBondContact O-N 3.05Å; T160-T164 PolarHBondContact O-OG1 3.43Å; T160-R719 WeakPolarHBondContact OG1-CA 3.3Å; T160-R719 WeakPolarHBondContact OG1-CG 3.43Å; T160-L721 HydrophobicContact CG2-CD2 4.32Å
161	K	93.9	Very high	95.6	Very high	108 Å²	108	30.4 Å²	30.4	47%	0.47	15%	0.151	S	C	.	.	H	α-helix	trans	-68.3	-50.8	178.5	-179.5	-174.8	169.4	-163.1	0	109.3	D159 N163 T164 I165 E428	D159-K161 VanDerWaalsContact C-N 3.27Å; D159-K161 PolarHBondContact O-N 3.36Å; D159-K161 PolarHBondContact OD1-N 3.13Å; D159-K161 VanDerWaalsContact OD1-N 3.09Å; K161-N163 PolarHBondContact O-N 3.27Å; K161-T164 PolarHBondContact O-N 3.08Å; K161-I165 HydrophobicContact CG-CD1 3.82Å; K161-I165 VanDerWaalsContact O-CG1 3.29Å; K161-I165 WeakPolarHBondContact O-CG1 3.5Å; K161-I165 PolarHBondContact O-N 3.34Å; K161-E428 IonicContact NZ-OE2 3.96Å; K161-E428 PolarHBondContact NZ-OE2 3.15Å
162	R	96	Very high	96.1	Very high	10 Å²	10	31.1 Å²	31.1	4%	0.038	16%	0.155	C	C	.	.	H	α-helix	trans	-52.9	-53.1	173.1	174.9	-178.5	164	-92.7	-0.7	111.1	M156 D159 T164 I165 Y166 E255 L422	M156-R162 PolarHBondContact O-NH1 3.18Å; D159-R162 HydrophobicContact CB-CB 3.93Å; D159-R162 VanDerWaalsContact CG-CB 3.43Å; D159-R162 PolarHBondContact O-N 3.22Å; D159-R162 PolarHBondContact OD1-N 2.98Å; R162-T164 VanDerWaalsContact C-N 3.31Å; R162-T164 PolarHBondContact O-N 3.3Å; R162-I165 PolarHBondContact O-N 2.93Å; R162-Y166 HydrophobicContact CG-CD2 4Å; R162-Y166 HydrophobicContact CG-CE2 4.34Å; R162-Y166 PolarHBondContact O-N 3.16Å; R162-E255 IonicContact CZ-OE2 3.8Å; R162-E255 IonicContact NE-OE2 3.94Å; R162-E255 VanDerWaalsContact NH2-CD 3.27Å; R162-E255 IonicContact NH2-OE2 3.81Å; R162-E255 PolarHBondContact NH2-OE2 3.23Å; R162-L422 HydrophobicContact CG-CD1 4.14Å
163	N	97.5	Very high	96.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.4	-40.9	-177.4	-67.5	-20.3	0	0	0	112.2	L157 D159 K161 N167 F194 R719 L721	L157-N163 PolarHBondContact O-ND2 3.34Å; D159-N163 WeakPolarHBondContact O-CB 3.35Å; D159-N163 PolarHBondContact O-N 2.82Å; D159-N163 PolarHBondContact O-ND2 3.03Å; K161-N163 PolarHBondContact O-N 3.27Å; N163-N167 WeakPolarHBondContact O-CB 3.33Å; N163-N167 PolarHBondContact O-N 3.44Å; N163-F194 HydrophobicContact CB-CZ 4.35Å; N163-R719 PolarHBondContact ND2-O 3Å; N163-L721 HydrophobicContact CB-CD1 4.47Å; N163-L721 HydrophobicContact CB-CG 4.45Å
164	T	98.2	Very high	96.7	Very high	66 Å²	66	26.6 Å²	26.6	41%	0.405	14%	0.139	S	C	.	.	H	α-helix	trans	-64.5	-44.3	178.3	-60.3	0	0	0	0	111.8	T160 K161 R162 N167 A168	T160-T164 VanDerWaalsContact O-CB 3.28Å; T160-T164 WeakPolarHBondContact O-CB 3.33Å; T160-T164 PolarHBondContact O-N 3.05Å; T160-T164 PolarHBondContact O-OG1 3.43Å; K161-T164 PolarHBondContact O-N 3.08Å; R162-T164 VanDerWaalsContact C-N 3.31Å; R162-T164 PolarHBondContact O-N 3.3Å; T164-N167 PolarHBondContact O-N 3.23Å; T164-A168 WeakPolarHBondContact O-CB 3.27Å; T164-A168 PolarHBondContact O-N 3.08Å
165	I	98	Very high	96.7	Very high	30 Å²	30	31.5 Å²	31.5	15%	0.154	17%	0.173	C	C	.	.	H	α-helix	trans	-69.1	-44	-177.4	-67.2	169.5	0	0	0	110.8	K161 R162 A168 A169 L416 H420 L422	K161-I165 HydrophobicContact CG-CD1 3.82Å; K161-I165 VanDerWaalsContact O-CG1 3.29Å; K161-I165 WeakPolarHBondContact O-CG1 3.5Å; K161-I165 PolarHBondContact O-N 3.34Å; R162-I165 PolarHBondContact O-N 2.93Å; I165-A168 PolarHBondContact O-N 3Å; I165-A169 PolarHBondContact O-N 2.87Å; I165-L416 HydrophobicContact CG2-CD1 3.82Å; I165-H420 HydrophobicContact CG2-CB 3.97Å; I165-L422 HydrophobicContact CB-CD2 3.98Å; I165-L422 HydrophobicContact CD1-CD2 3.62Å; I165-L422 HydrophobicContact CG1-CD2 4.39Å; I165-L422 HydrophobicContact CG2-CD2 3.93Å; I165-L422 HydrophobicContact CG2-CG 4.06Å
166	Y	98.5	Very high	96.8	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-59.8	-47.9	172.6	-99.5	-74.6	0	0	0	111.9	R162 A168 A169 I170 L191 V253 T254 E255 I297 L416 L422	R162-Y166 HydrophobicContact CG-CD2 4Å; R162-Y166 HydrophobicContact CG-CE2 4.34Å; R162-Y166 PolarHBondContact O-N 3.16Å; Y166-A168 VanDerWaalsContact C-N 3.31Å; Y166-A168 PolarHBondContact O-N 3.33Å; Y166-A169 PolarHBondContact O-N 3.29Å; Y166-I170 HydrophobicContact CD1-CD1 4.41Å; Y166-I170 WeakPolarHBondContact O-CB 3.29Å; Y166-I170 WeakPolarHBondContact O-CG1 3.23Å; Y166-I170 PolarHBondContact O-N 2.76Å; Y166-L191 HydrophobicContact CD1-CD1 4.18Å; Y166-L191 HydrophobicContact CD1-CD2 4.03Å; Y166-L191 HydrophobicContact CE1-CD1 4.2Å; Y166-L191 HydrophobicContact CG-CD2 3.97Å; Y166-V253 HydrophobicContact CE1-CG1 4.37Å; Y166-T254 PolarHBondContact OH-O 3.47Å; Y166-E255 HydrophobicContact CE2-CG 4.02Å; Y166-E255 WeakPolarHBondContact OH-CG 3.42Å; Y166-I297 HydrophobicContact CD1-CG2 4.43Å; Y166-I297 HydrophobicContact CE1-CG2 4.13Å; Y166-L416 HydrophobicContact CD1-CD1 3.99Å; Y166-L416 HydrophobicContact CD2-CD1 4.24Å; Y166-L416 HydrophobicContact CE1-CD1 4.2Å; Y166-L416 HydrophobicContact CE1-CD2 4.09Å; Y166-L416 HydrophobicContact CE2-CD1 4.42Å; Y166-L416 HydrophobicContact CG-CD1 4.01Å; Y166-L422 HydrophobicContact CD2-CD1 3.61Å; Y166-L422 HydrophobicContact CE2-CD1 3.34Å
167	N	98.6	Very high	96.6	Very high	26 Å²	26	34.4 Å²	34.4	14%	0.139	19%	0.191	C	C	.	.	H	α-helix	trans	-59	-42	177.9	175.2	59.5	0	0	0	111.6	N163 T164 Q171 F194 L721	N163-N167 WeakPolarHBondContact O-CB 3.33Å; N163-N167 PolarHBondContact O-N 3.44Å; T164-N167 PolarHBondContact O-N 3.23Å; N167-Q171 PolarHBondContact ND2-NE2 3.45Å; N167-Q171 VanDerWaalsContact O-CB 3.23Å; N167-Q171 WeakPolarHBondContact O-CB 3.44Å; N167-Q171 WeakPolarHBondContact O-CG 3.42Å; N167-Q171 PolarHBondContact O-N 3.02Å; N167-Q171 PolarHBondContact OD1-NE2 3.29Å; N167-F194 HydrophobicContact CB-CB 4.48Å; N167-F194 HydrophobicContact CB-CD1 4.17Å; N167-F194 HydrophobicContact CB-CD2 3.73Å; N167-F194 HydrophobicContact CB-CE1 4.32Å; N167-F194 HydrophobicContact CB-CE2 3.88Å; N167-F194 HydrophobicContact CB-CG 3.89Å; N167-F194 HydrophobicContact CB-CZ 4.18Å; N167-L721 HydrophobicContact CB-CD1 3.78Å
168	A	98.6	Very high	96.5	Very high	27 Å²	27	34.7 Å²	34.7	22%	0.223	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-46.5	177.5	0	0	0	0	0	112.6	T164 I165 Y166 Q171 K172	T164-A168 WeakPolarHBondContact O-CB 3.27Å; T164-A168 PolarHBondContact O-N 3.08Å; I165-A168 PolarHBondContact O-N 3Å; Y166-A168 VanDerWaalsContact C-N 3.31Å; Y166-A168 PolarHBondContact O-N 3.33Å; A168-Q171 PolarHBondContact O-N 3.32Å; A168-K172 WeakPolarHBondContact O-CB 3.45Å; A168-K172 PolarHBondContact O-N 3.08Å
169	A	98.6	Very high	96.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-44	178.6	0	0	0	0	0	112.1	I165 Y166 K172 A173 I297 L416 D417 H420	I165-A169 PolarHBondContact O-N 2.87Å; Y166-A169 PolarHBondContact O-N 3.29Å; A169-K172 PolarHBondContact O-N 3.41Å; A169-A173 PolarHBondContact O-N 2.66Å; A169-I297 HydrophobicContact CB-CD1 4.45Å; A169-L416 HydrophobicContact CB-CB 3.76Å; A169-L416 HydrophobicContact CB-CD1 4Å; A169-D417 WeakPolarHBondContact CA-OD2 3.37Å; A169-H420 HydrophobicContact CB-CB 4.26Å
170	I	98.7	Very high	96.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.8	-46.7	175.6	-67.2	167.5	0	0	0	110.3	Y166 K172 A173 V174 L191 F194 A195 V253 I297	Y166-I170 HydrophobicContact CD1-CD1 4.41Å; Y166-I170 WeakPolarHBondContact O-CB 3.29Å; Y166-I170 WeakPolarHBondContact O-CG1 3.23Å; Y166-I170 PolarHBondContact O-N 2.76Å; I170-K172 VanDerWaalsContact C-N 3.31Å; I170-K172 PolarHBondContact O-N 3.03Å; I170-A173 PolarHBondContact O-N 3.24Å; I170-V174 HydrophobicContact CG2-CG2 4.23Å; I170-V174 WeakPolarHBondContact O-CG2 3.32Å; I170-V174 PolarHBondContact O-N 3.35Å; I170-L191 HydrophobicContact CD1-CB 4.13Å; I170-L191 HydrophobicContact CD1-CD2 4.12Å; I170-F194 HydrophobicContact CD1-CB 4.25Å; I170-F194 HydrophobicContact CD1-CD2 4.48Å; I170-A195 HydrophobicContact CG2-CB 3.8Å; I170-V253 HydrophobicContact CD1-CG1 4.09Å; I170-V253 HydrophobicContact CD1-CG2 4.45Å; I170-V253 HydrophobicContact CG1-CG1 4.38Å; I170-V253 HydrophobicContact CG1-CG2 4.17Å; I170-I297 HydrophobicContact CG1-CD1 4.43Å
171	Q	98.4	Very high	96.6	Very high	79 Å²	79	36.9 Å²	36.9	37%	0.369	20%	0.197	S	C	.	.	H	α-helix	trans	-57.3	-45	177.3	-79.2	178.1	8.8	0	0	111.6	N167 A168 V174 C175 A198	N167-Q171 PolarHBondContact ND2-NE2 3.45Å; N167-Q171 VanDerWaalsContact O-CB 3.23Å; N167-Q171 WeakPolarHBondContact O-CB 3.44Å; N167-Q171 WeakPolarHBondContact O-CG 3.42Å; N167-Q171 PolarHBondContact O-N 3.02Å; N167-Q171 PolarHBondContact OD1-NE2 3.29Å; A168-Q171 PolarHBondContact O-N 3.32Å; Q171-V174 PolarHBondContact O-N 3.01Å; Q171-C175 VanDerWaalsContact O-CB 3.27Å; Q171-C175 WeakPolarHBondContact O-CB 3.39Å; Q171-C175 PolarHBondContact O-N 2.6Å; Q171-C175 PolarHBondContact O-SG 3.12Å; Q171-A198 HydrophobicContact CB-CB 4.33Å; Q171-A198 HydrophobicContact CG-CB 3.73Å
172	K	98	Very high	96.8	Very high	53 Å²	53	31.8 Å²	31.8	23%	0.23	17%	0.174	C	C	.	.	H	α-helix	trans	-60.5	-48.7	177.1	-176.1	175.7	178.2	175.7	0	111.3	A168 A169 I170 V174 C175 L176 E419	A168-K172 WeakPolarHBondContact O-CB 3.45Å; A168-K172 PolarHBondContact O-N 3.08Å; A169-K172 PolarHBondContact O-N 3.41Å; I170-K172 VanDerWaalsContact C-N 3.31Å; I170-K172 PolarHBondContact O-N 3.03Å; K172-V174 PolarHBondContact O-N 3.35Å; K172-C175 PolarHBondContact O-N 3.05Å; K172-L176 HydrophobicContact CG-CD1 3.96Å; K172-L176 WeakPolarHBondContact O-CB 3.35Å; K172-L176 WeakPolarHBondContact O-CG 3.36Å; K172-L176 PolarHBondContact O-N 2.92Å; K172-E419 IonicContact NZ-OE1 3.91Å; K172-E419 PolarHBondContact NZ-OE1 2.71Å; K172-E419 IonicContact NZ-OE2 3.01Å; K172-E419 PolarHBondContact NZ-OE2 3.35Å
173	A	97.1	Very high	96.9	Very high	7 Å²	7	31.4 Å²	31.4	6%	0.058	17%	0.173	C	C	.	.	H	α-helix	trans	-60.7	-45.7	178.9	0	0	0	0	0	112.5	A169 I170 L176 G177 S178 L251 I297	A169-A173 PolarHBondContact O-N 2.66Å; I170-A173 PolarHBondContact O-N 3.24Å; A173-L176 PolarHBondContact O-N 3.31Å; A173-G177 PolarHBondContact O-N 3.31Å; A173-S178 WeakPolarHBondContact O-CB 3.33Å; A173-S178 PolarHBondContact O-N 3.44Å; A173-S178 VanDerWaalsContact O-N 3.15Å; A173-L251 HydrophobicContact CB-CD1 4.46Å; A173-L251 HydrophobicContact CB-CD2 3.97Å; A173-I297 HydrophobicContact CB-CD1 3.98Å
174	V	97.1	Very high	97	Very high	6 Å²	6	31.6 Å²	31.6	4%	0.036	17%	0.174	C	C	.	.	H	α-helix	trans	-65.1	-44.3	178.7	174.4	0	0	0	0	111.4	I170 Q171 K172 L176 G177 V181 A198 A200	I170-V174 HydrophobicContact CG2-CG2 4.23Å; I170-V174 WeakPolarHBondContact O-CG2 3.32Å; I170-V174 PolarHBondContact O-N 3.35Å; Q171-V174 PolarHBondContact O-N 3.01Å; K172-V174 PolarHBondContact O-N 3.35Å; V174-L176 PolarHBondContact O-N 3.31Å; V174-G177 PolarHBondContact O-N 3.06Å; V174-V181 HydrophobicContact CG2-CG2 4.47Å; V174-A198 HydrophobicContact CB-CB 3.96Å; V174-A198 HydrophobicContact CG1-CB 4.01Å; V174-A198 WeakPolarHBondContact CG1-O 3.41Å; V174-A198 HydrophobicContact CG2-CB 4.18Å; V174-A200 HydrophobicContact CG1-CB 4.35Å; V174-A200 HydrophobicContact CG2-CB 4.36Å
175	C	94.9	Very high	97	Very high	104 Å²	104	29.8 Å²	29.8	70%	0.703	17%	0.169	S	C	*	.	H	α-helix	trans	-61.8	-32.6	175.9	-69.8	0	0	0	0	112.5	Q171 K172 G177	Q171-C175 VanDerWaalsContact O-CB 3.27Å; Q171-C175 WeakPolarHBondContact O-CB 3.39Å; Q171-C175 PolarHBondContact O-N 2.6Å; Q171-C175 PolarHBondContact O-SG 3.12Å; K172-C175 PolarHBondContact O-N 3.05Å; C175-G177 PolarHBondContact O-N 3.11Å
176	L	93.8	Very high	96.9	Very high	105 Å²	105	28.7 Å²	28.7	55%	0.55	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-3.7	176.6	-71.4	173.7	0	0	0	113.5	K172 A173 V174 C290	K172-L176 HydrophobicContact CG-CD1 3.96Å; K172-L176 WeakPolarHBondContact O-CB 3.35Å; K172-L176 WeakPolarHBondContact O-CG 3.36Å; K172-L176 PolarHBondContact O-N 2.92Å; A173-L176 PolarHBondContact O-N 3.31Å; V174-L176 PolarHBondContact O-N 3.31Å; L176-C290 WeakPolarHBondContact O-CB 3.27Å
177	G	91	Very high	96.9	Very high	12 Å²	12	28.9 Å²	28.9	12%	0.124	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	122.1	-4.9	171.6	0	0	0	0	0	115.4	A173 V174 C175 R179	A173-G177 PolarHBondContact O-N 3.31Å; V174-G177 PolarHBondContact O-N 3.06Å; C175-G177 PolarHBondContact O-N 3.11Å; G177-R179 VanDerWaalsContact C-N 3.33Å; G177-R179 PolarHBondContact O-N 2.92Å
178	S	93.3	Very high	96.8	Very high	11 Å²	11	27.9 Å²	27.9	8%	0.077	16%	0.161	C	C	.	.			trans	-74	81.5	175.9	-62.9	0	0	0	0	111.6	A173 S250	A173-S178 WeakPolarHBondContact O-CB 3.33Å; A173-S178 PolarHBondContact O-N 3.44Å; A173-S178 VanDerWaalsContact O-N 3.15Å; S178-S250 WeakPolarHBondContact CA-OG 3.47Å
179	R	92.7	Very high	96.8	Very high	112 Å²	112	26.6 Å²	26.6	42%	0.423	15%	0.151	S	C	.	.			trans	-94.3	-10.1	-173.1	-69.1	-176.1	172.5	148.1	0.4	115.4	G177 H201 S202 S250 E291	G177-R179 VanDerWaalsContact C-N 3.33Å; G177-R179 PolarHBondContact O-N 2.92Å; R179-H201 HydrophobicContact CB-CB 4.38Å; R179-H201 PolarHBondContact O-N 3.41Å; R179-S202 PolarHBondContact O-N 3.2Å; R179-S250 PolarHBondContact N-OG 2.99Å; R179-E291 IonicContact NH1-OE1 3.74Å
180	S	96.6	Very high	96.8	Very high	17 Å²	17	27 Å²	27	12%	0.119	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115.7	174.2	-173.1	0	0	0	0	108.5	S202 S250 L251	S180-S202 WeakPolarHBondContact CA-O 3.48Å; S180-S250 PolarHBondContact N-OG 3.32Å; S180-S250 VanDerWaalsContact N-OG 3.15Å; S180-S250 PolarHBondContact O-N 3.11Å; S180-S250 PolarHBondContact O-OG 3.23Å; S180-L251 PolarHBondContact O-N 2.95Å
181	V	98.6	Very high	96.8	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136	-168.5	-173.4	0	0	0	0	110.3	V174 A195 A200 S202 V203 Y204 L251 V253	V174-V181 HydrophobicContact CG2-CG2 4.47Å; V181-A195 HydrophobicContact CB-CB 4.38Å; V181-A195 HydrophobicContact CG1-CB 4.1Å; V181-A195 HydrophobicContact CG2-CB 4.21Å; V181-A200 HydrophobicContact CG2-CB 3.87Å; V181-S202 PolarHBondContact N-O 3.23Å; V181-V203 HydrophobicContact CB-CG2 4.45Å; V181-V203 WeakPolarHBondContact O-CA 3.46Å; V181-Y204 PolarHBondContact O-N 3.45Å; V181-L251 CarbonylContact C-O 3.29Å; V181-L251 VanDerWaalsContact CA-O 3.31Å; V181-L251 WeakPolarHBondContact CA-O 3.45Å; V181-L251 HydrophobicContact CG1-CD2 4.18Å; V181-L251 HydrophobicContact CG1-CG 4.33Å; V181-L251 HydrophobicContact CG2-CB 4.3Å; V181-L251 HydrophobicContact CG2-CD2 4.11Å; V181-V253 HydrophobicContact CG1-CG2 4.08Å
182	L	98.8	Very high	96.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	125.6	165.6	176.2	63.1	0	0	0	109.2	I184 Y204 I239 V249 L251 V252 V253 L277	L182-I184 HydrophobicContact CD2-CD1 4.29Å; L182-I184 HydrophobicContact CD2-CG1 4.13Å; L182-I184 HydrophobicContact CG-CG1 4.02Å; L182-Y204 CarbonylContact C-O 3.57Å; L182-Y204 VanDerWaalsContact CA-O 3.29Å; L182-Y204 WeakPolarHBondContact CA-O 3.45Å; L182-I239 HydrophobicContact CD1-CD1 4.25Å; L182-I239 HydrophobicContact CD2-CD1 4.43Å; L182-V249 HydrophobicContact CB-CB 4.41Å; L182-V249 HydrophobicContact CB-CG1 4.09Å; L182-V249 HydrophobicContact CB-CG2 3.8Å; L182-L251 PolarHBondContact N-O 3.05Å; L182-V252 HydrophobicContact CB-CG2 4.13Å; L182-V252 HydrophobicContact CD2-CG2 4.29Å; L182-V252 CarbonylContact O-C 3.6Å; L182-V252 VanDerWaalsContact O-CA 3.27Å; L182-V252 WeakPolarHBondContact O-CA 3.4Å; L182-V253 PolarHBondContact O-N 3.39Å; L182-L277 HydrophobicContact CD2-CB 4.3Å; L182-L277 HydrophobicContact CD2-CD1 3.65Å
183	D	98.9	Very high	96.9	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.011	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.9	175.5	-176.7	16.5	0	0	0	108.8	S192 Y204 A205 C206 V253	D183-S192 WeakPolarHBondContact CB-OG 2.96Å; D183-S192 WeakPolarHBondContact OD2-CB 3.39Å; D183-S192 PolarHBondContact OD2-N 2.94Å; D183-S192 PolarHBondContact OD2-OG 2.99Å; D183-Y204 PolarHBondContact N-O 3.49Å; D183-A205 HydrophobicContact CB-CB 4.02Å; D183-A205 CarbonylContact O-C 3.41Å; D183-A205 VanDerWaalsContact O-CA 3.26Å; D183-A205 WeakPolarHBondContact O-CA 3.49Å; D183-C206 PolarHBondContact O-N 3.46Å; D183-V253 WeakPolarHBondContact CA-O 3.48Å
184	I	98.7	Very high	97	Very high	5 Å²	5	20.9 Å²	20.9	3%	0.026	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.4	-177.6	-61.4	176.5	0	0	0	108.9	L182 V252 V253 T254 T256 A273	L182-I184 HydrophobicContact CD2-CD1 4.29Å; L182-I184 HydrophobicContact CD2-CG1 4.13Å; L182-I184 HydrophobicContact CG-CG1 4.02Å; I184-V252 HydrophobicContact CD1-CG1 3.72Å; I184-V252 HydrophobicContact CG1-CG1 4.22Å; I184-V253 PolarHBondContact N-O 3.37Å; I184-T254 PolarHBondContact O-OG1 3.32Å; I184-T256 HydrophobicContact CG2-CG2 4.3Å; I184-A273 HydrophobicContact CD1-CB 4.26Å
185	G	97.3	Very high	97	Very high	28 Å²	28	20.7 Å²	20.7	29%	0.289	12%	0.122	S	C	.	.	S	Bend	trans	74.3	55.2	-173.3	0	0	0	0	0	110.4	G187 C206	G185-G187 PolarHBondContact O-N 3Å; G185-G187 VanDerWaalsContact O-N 3.16Å; G185-C206 PolarHBondContact N-O 2.91Å
186	A	97.4	Very high	97.2	Very high	6 Å²	6	18.4 Å²	18.4	5%	0.05	10%	0.101	C	C	.	.			trans	-63.1	-25.9	-167.2	0	0	0	0	0	113.4	T188 G189 A205 C206 E207	A186-T188 PolarHBondContact O-N 2.91Å; A186-G189 WeakPolarHBondContact O-CA 3.01Å; A186-G189 PolarHBondContact O-N 3.02Å; A186-A205 HydrophobicContact CB-CB 3.53Å; A186-C206 PolarHBondContact N-O 3.12Å; A186-E207 HydrophobicContact CB-CB 4.48Å; A186-E207 PolarHBondContact N-OE2 2.81Å
187	G	97.1	Very high	97.4	Very high	6 Å²	6	18.8 Å²	18.8	6%	0.062	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-112.7	-175.3	0	0	0	0	0	110.5	G185 G189 E207 A216	G185-G187 PolarHBondContact O-N 3Å; G185-G187 VanDerWaalsContact O-N 3.16Å; G187-G189 VanDerWaalsContact C-N 3.29Å; G187-G189 PolarHBondContact O-N 2.98Å; G187-E207 WeakPolarHBondContact CA-OE2 3.42Å; G187-E207 PolarHBondContact N-OE2 3.32Å; G187-A216 WeakPolarHBondContact O-CB 3.37Å
188	T	97.8	Very high	97.7	Very high	5 Å²	5	19.2 Å²	19.2	3%	0.031	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-3.4	176.8	63	0	0	0	0	114.7	L157 A186 M212 L215 V219 I725 I729	L157-T188 HydrophobicContact CD1-CG2 3.87Å; A186-T188 PolarHBondContact O-N 2.91Å; T188-M212 HydrophobicContact CG2-CE 3.94Å; T188-L215 HydrophobicContact CG2-CD2 3.67Å; T188-V219 WeakPolarHBondContact O-CG1 3.31Å; T188-I725 HydrophobicContact CG2-CG2 3.94Å; T188-I729 HydrophobicContact CG2-CD1 4.01Å
189	G	98.3	Very high	97.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	15.6	-173.2	0	0	0	0	0	114.3	A186 G187 L191 S192 M193	A186-G189 WeakPolarHBondContact O-CA 3.01Å; A186-G189 PolarHBondContact O-N 3.02Å; G187-G189 VanDerWaalsContact C-N 3.29Å; G187-G189 PolarHBondContact O-N 2.98Å; G189-L191 PolarHBondContact O-N 2.93Å; G189-S192 WeakPolarHBondContact O-CB 3.3Å; G189-S192 PolarHBondContact O-N 2.87Å; G189-M193 WeakPolarHBondContact O-CG 3.22Å; G189-M193 PolarHBondContact O-N 3.24Å
190	I	98.8	Very high	98.2	Very high	8 Å²	8	15.3 Å²	15.3	4%	0.041	10%	0.096	C	C	.	.	H	α-helix	trans	-58.2	-44.2	-177.4	-170.9	171.5	0	0	0	112.7	L157 M193 F194 T720 L723 I725	L157-I190 HydrophobicContact CD2-CD1 3.82Å; L157-I190 HydrophobicContact CD2-CG2 4.49Å; I190-M193 PolarHBondContact O-N 2.94Å; I190-F194 HydrophobicContact CD1-CE2 4.12Å; I190-F194 HydrophobicContact CD1-CZ 3.76Å; I190-F194 HydrophobicContact CG1-CD2 4.43Å; I190-F194 HydrophobicContact CG1-CE1 4.09Å; I190-F194 HydrophobicContact CG1-CE2 3.77Å; I190-F194 HydrophobicContact CG1-CZ 3.57Å; I190-F194 WeakPolarHBondContact O-CG 3.5Å; I190-F194 PolarHBondContact O-N 2.91Å; I190-T720 HydrophobicContact CD1-CG2 4.38Å; I190-L723 HydrophobicContact CG1-CD1 3.77Å; I190-I725 HydrophobicContact CB-CD1 3.91Å; I190-I725 HydrophobicContact CD1-CD1 3.93Å; I190-I725 HydrophobicContact CG1-CD1 3.93Å
191	L	98.8	Very high	98	Very high	8 Å²	8	20.2 Å²	20.2	4%	0.042	12%	0.117	C	C	.	.	H	α-helix	trans	-71.2	-41.2	-179.5	-56.4	-173.6	0	0	0	111.5	Y166 I170 G189 M193 F194 A195 V253 E255	Y166-L191 HydrophobicContact CD1-CD1 4.18Å; Y166-L191 HydrophobicContact CD1-CD2 4.03Å; Y166-L191 HydrophobicContact CE1-CD1 4.2Å; Y166-L191 HydrophobicContact CG-CD2 3.97Å; I170-L191 HydrophobicContact CD1-CB 4.13Å; I170-L191 HydrophobicContact CD1-CD2 4.12Å; G189-L191 PolarHBondContact O-N 2.93Å; L191-M193 VanDerWaalsContact C-N 3.31Å; L191-M193 PolarHBondContact O-N 2.92Å; L191-F194 HydrophobicContact CD2-CD2 3.92Å; L191-F194 HydrophobicContact CD2-CE2 4.18Å; L191-F194 WeakPolarHBondContact O-CB 3.36Å; L191-F194 PolarHBondContact O-N 3.36Å; L191-F194 VanDerWaalsContact O-N 3.17Å; L191-A195 PolarHBondContact O-N 2.83Å; L191-V253 HydrophobicContact CB-CG1 4.37Å; L191-V253 HydrophobicContact CD1-CG1 3.81Å; L191-E255 HydrophobicContact CD1-CB 4.01Å
192	S	98.8	Very high	97.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-53.7	-44.6	168.5	-73.4	0	0	0	0	113	D183 G189 A195 K196 A205	D183-S192 WeakPolarHBondContact CB-OG 2.96Å; D183-S192 WeakPolarHBondContact OD2-CB 3.39Å; D183-S192 PolarHBondContact OD2-N 2.94Å; D183-S192 PolarHBondContact OD2-OG 2.99Å; G189-S192 WeakPolarHBondContact O-CB 3.3Å; G189-S192 PolarHBondContact O-N 2.87Å; S192-A195 PolarHBondContact O-N 2.8Å; S192-K196 WeakPolarHBondContact O-CB 3.29Å; S192-K196 PolarHBondContact O-N 2.88Å; S192-A205 VanDerWaalsContact OG-CB 3.23Å; S192-A205 WeakPolarHBondContact OG-CB 3.48Å
193	M	98.8	Very high	97.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-68.9	-35.8	177.1	-71.7	-171.3	-72.6	0	0	112.3	G189 I190 L191 K196 K197 V219 V220 N223 M225 I229 L723 I725	G189-M193 WeakPolarHBondContact O-CG 3.22Å; G189-M193 PolarHBondContact O-N 3.24Å; I190-M193 PolarHBondContact O-N 2.94Å; L191-M193 VanDerWaalsContact C-N 3.31Å; L191-M193 PolarHBondContact O-N 2.92Å; M193-K196 PolarHBondContact O-N 3.18Å; M193-K197 WeakPolarHBondContact O-CB 3.44Å; M193-K197 WeakPolarHBondContact O-CG 3.48Å; M193-K197 PolarHBondContact O-N 3.38Å; M193-V219 HydrophobicContact CE-CG1 3.44Å; M193-V219 VanDerWaalsContact CE-CG1 3.44Å; M193-V219 HydrophobicContact SD-CG1 4.22Å; M193-V220 HydrophobicContact CG-CG2 4.19Å; M193-V220 HydrophobicContact SD-CG2 4.32Å; M193-N223 HydrophobicContact SD-CB 3.72Å; M193-M225 HydrophobicContact CB-SD 3.85Å; M193-M225 HydrophobicContact CG-SD 3.71Å; M193-M225 HydrophobicContact SD-SD 4.13Å; M193-I229 HydrophobicContact CG-CD1 3.88Å; M193-L723 HydrophobicContact CB-CD1 4.04Å; M193-L723 HydrophobicContact CB-CD2 3.92Å; M193-L723 HydrophobicContact CE-CB 4.4Å; M193-L723 HydrophobicContact CE-CD1 4.04Å; M193-L723 HydrophobicContact CE-CD2 4.17Å; M193-L723 HydrophobicContact CE-CG 4.45Å; M193-L723 HydrophobicContact CG-CD2 4.47Å; M193-L723 HydrophobicContact SD-CD2 3.81Å; M193-I725 HydrophobicContact CE-CD1 4.09Å; M193-I725 HydrophobicContact CE-CG1 4.24Å
194	F	98.8	Very high	97.8	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.013	14%	0.135	C	C	.	.	H	α-helix	trans	-60.8	-48.2	170.5	-66.1	-25.5	0	0	0	111.5	N163 N167 I170 I190 L191 K196 K197 A198 L721 L723	N163-F194 HydrophobicContact CB-CZ 4.35Å; N167-F194 HydrophobicContact CB-CB 4.48Å; N167-F194 HydrophobicContact CB-CD1 4.17Å; N167-F194 HydrophobicContact CB-CD2 3.73Å; N167-F194 HydrophobicContact CB-CE1 4.32Å; N167-F194 HydrophobicContact CB-CE2 3.88Å; N167-F194 HydrophobicContact CB-CG 3.89Å; N167-F194 HydrophobicContact CB-CZ 4.18Å; I170-F194 HydrophobicContact CD1-CB 4.25Å; I170-F194 HydrophobicContact CD1-CD2 4.48Å; I190-F194 HydrophobicContact CD1-CE2 4.12Å; I190-F194 HydrophobicContact CD1-CZ 3.76Å; I190-F194 HydrophobicContact CG1-CD2 4.43Å; I190-F194 HydrophobicContact CG1-CE1 4.09Å; I190-F194 HydrophobicContact CG1-CE2 3.77Å; I190-F194 HydrophobicContact CG1-CZ 3.57Å; I190-F194 WeakPolarHBondContact O-CG 3.5Å; I190-F194 PolarHBondContact O-N 2.91Å; L191-F194 HydrophobicContact CD2-CD2 3.92Å; L191-F194 HydrophobicContact CD2-CE2 4.18Å; L191-F194 WeakPolarHBondContact O-CB 3.36Å; L191-F194 PolarHBondContact O-N 3.36Å; L191-F194 VanDerWaalsContact O-N 3.17Å; F194-K196 VanDerWaalsContact C-N 3.33Å; F194-K196 PolarHBondContact O-N 3.38Å; F194-K197 PolarHBondContact O-N 2.94Å; F194-A198 VanDerWaalsContact O-CB 3.29Å; F194-A198 WeakPolarHBondContact O-CB 3.42Å; F194-A198 PolarHBondContact O-N 3.21Å; F194-L721 HydrophobicContact CE1-CB 4.14Å; F194-L721 HydrophobicContact CE1-CD1 3.91Å; F194-L721 HydrophobicContact CE1-CG 4.33Å; F194-L721 HydrophobicContact CZ-CB 4.46Å; F194-L721 HydrophobicContact CZ-CD1 3.73Å; F194-L721 HydrophobicContact CZ-CG 4.19Å; F194-L723 HydrophobicContact CD1-CD1 3.83Å; F194-L723 HydrophobicContact CE1-CD1 3.43Å; F194-L723 VanDerWaalsContact CE1-CD1 3.43Å; F194-L723 HydrophobicContact CE1-CG 4.44Å; F194-L723 HydrophobicContact CZ-CD1 4.21Å
195	A	98.7	Very high	97.8	Very high	1 Å²	1	23 Å²	23	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-58.7	-44.6	176.9	0	0	0	0	0	111.8	I170 V181 L191 S192 A198 G199 A200 V203	I170-A195 HydrophobicContact CG2-CB 3.8Å; V181-A195 HydrophobicContact CB-CB 4.38Å; V181-A195 HydrophobicContact CG1-CB 4.1Å; V181-A195 HydrophobicContact CG2-CB 4.21Å; L191-A195 PolarHBondContact O-N 2.83Å; S192-A195 PolarHBondContact O-N 2.8Å; A195-A198 WeakPolarHBondContact O-CB 3.34Å; A195-A198 PolarHBondContact O-N 3.35Å; A195-G199 PolarHBondContact O-N 3.04Å; A195-A200 HydrophobicContact CB-CB 4.35Å; A195-A200 WeakPolarHBondContact O-CB 3.47Å; A195-A200 PolarHBondContact O-N 2.99Å; A195-V203 HydrophobicContact CB-CG2 4.22Å
196	K	98.4	Very high	97.8	Very high	57 Å²	57	21.8 Å²	21.8	25%	0.248	12%	0.121	C	C	.	.	H	α-helix	trans	-68.3	-40.7	179.8	-174.7	66.4	-170.8	174	0	112.5	S192 M193 F194 A198 G199 A200 H201 V203 M225 I229	S192-K196 WeakPolarHBondContact O-CB 3.29Å; S192-K196 PolarHBondContact O-N 2.88Å; M193-K196 PolarHBondContact O-N 3.18Å; F194-K196 VanDerWaalsContact C-N 3.33Å; F194-K196 PolarHBondContact O-N 3.38Å; K196-A198 VanDerWaalsContact C-N 3.29Å; K196-A198 PolarHBondContact O-N 3.07Å; K196-G199 PolarHBondContact O-N 3.2Å; K196-A200 WeakPolarHBondContact CD-O 3.34Å; K196-A200 PolarHBondContact NZ-O 2.83Å; K196-H201 PolarHBondContact NZ-O 3.16Å; K196-V203 HydrophobicContact CB-CG2 4.03Å; K196-V203 HydrophobicContact CD-CG2 4.24Å; K196-M225 HydrophobicContact CB-CE 3.41Å; K196-M225 VanDerWaalsContact CB-CE 3.41Å; K196-M225 HydrophobicContact CG-CE 3.37Å; K196-I229 HydrophobicContact CB-CD1 3.96Å; K196-I229 HydrophobicContact CB-CG1 4.01Å; K196-I229 HydrophobicContact CG-CD1 4.36Å; K196-I229 HydrophobicContact CG-CG1 4.14Å
197	K	97.9	Very high	97.9	Very high	112 Å²	112	22.7 Å²	22.7	49%	0.487	12%	0.124	S	C	.	.	H	α-helix	trans	-64.7	-32.9	173.3	-78.7	-174	175.8	178.7	0	112.3	M193 F194 G199 M225 L723	M193-K197 WeakPolarHBondContact O-CB 3.44Å; M193-K197 WeakPolarHBondContact O-CG 3.48Å; M193-K197 PolarHBondContact O-N 3.38Å; F194-K197 PolarHBondContact O-N 2.94Å; K197-G199 PolarHBondContact O-N 3.49Å; K197-M225 HydrophobicContact CB-CE 4.42Å; K197-M225 HydrophobicContact CG-CE 3.6Å; K197-M225 HydrophobicContact CG-SD 4.24Å; K197-L723 HydrophobicContact CD-CD2 4.27Å
198	A	98.1	Very high	97.8	Very high	22 Å²	22	27 Å²	27	18%	0.182	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-11.2	176.2	0	0	0	0	0	113.9	Q171 V174 F194 A195 K196	Q171-A198 HydrophobicContact CB-CB 4.33Å; Q171-A198 HydrophobicContact CG-CB 3.73Å; V174-A198 HydrophobicContact CB-CB 3.96Å; V174-A198 HydrophobicContact CG1-CB 4.01Å; V174-A198 WeakPolarHBondContact CG1-O 3.41Å; V174-A198 HydrophobicContact CG2-CB 4.18Å; F194-A198 VanDerWaalsContact O-CB 3.29Å; F194-A198 WeakPolarHBondContact O-CB 3.42Å; F194-A198 PolarHBondContact O-N 3.21Å; A195-A198 WeakPolarHBondContact O-CB 3.34Å; A195-A198 PolarHBondContact O-N 3.35Å; K196-A198 VanDerWaalsContact C-N 3.29Å; K196-A198 PolarHBondContact O-N 3.07Å
199	G	97.4	Very high	97.5	Very high	38 Å²	38	28.3 Å²	28.3	39%	0.392	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.4	15.7	177.7	0	0	0	0	0	114.9	A195 K196 K197 H201	A195-G199 PolarHBondContact O-N 3.04Å; K196-G199 PolarHBondContact O-N 3.2Å; K197-G199 PolarHBondContact O-N 3.49Å; G199-H201 PolarHBondContact O-CD2 3.14Å; G199-H201 PolarHBondContact O-N 3.45Å
200	A	97.4	Very high	97	Very high	2 Å²	2	33 Å²	33	2%	0.017	18%	0.175	C	C	.	.			trans	-59.7	135.3	170.9	0	0	0	0	0	110.4	V174 V181 A195 K196 V203	V174-A200 HydrophobicContact CG1-CB 4.35Å; V174-A200 HydrophobicContact CG2-CB 4.36Å; V181-A200 HydrophobicContact CG2-CB 3.87Å; A195-A200 HydrophobicContact CB-CB 4.35Å; A195-A200 WeakPolarHBondContact O-CB 3.47Å; A195-A200 PolarHBondContact O-N 2.99Å; K196-A200 WeakPolarHBondContact CD-O 3.34Å; K196-A200 PolarHBondContact NZ-O 2.83Å; A200-V203 HydrophobicContact CB-CG2 3.65Å
201	H	93.8	Very high	96.6	Very high	120 Å²	120	33.5 Å²	33.5	56%	0.556	18%	0.179	S	C	*	.	S	Bend	trans	-76.1	-50.3	-179.2	-73.2	-170.5	0	0	0	110.2	R179 K196 G199	R179-H201 HydrophobicContact CB-CB 4.38Å; R179-H201 PolarHBondContact O-N 3.41Å; K196-H201 PolarHBondContact NZ-O 3.16Å; G199-H201 PolarHBondContact O-CD2 3.14Å; G199-H201 PolarHBondContact O-N 3.45Å
202	S	93.8	Very high	96.4	Very high	41 Å²	41	33.2 Å²	33.2	29%	0.287	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.5	-179	-55.7	0	0	0	0	109.2	R179 S180 V181	R179-S202 PolarHBondContact O-N 3.2Å; S180-S202 WeakPolarHBondContact CA-O 3.48Å; V181-S202 PolarHBondContact N-O 3.23Å
203	V	98.8	Very high	96.3	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.3	173.9	-177.1	0	0	0	0	108.1	V181 A195 K196 A200 G228 I229 K230	V181-V203 HydrophobicContact CB-CG2 4.45Å; V181-V203 WeakPolarHBondContact O-CA 3.46Å; A195-V203 HydrophobicContact CB-CG2 4.22Å; K196-V203 HydrophobicContact CB-CG2 4.03Å; K196-V203 HydrophobicContact CD-CG2 4.24Å; A200-V203 HydrophobicContact CB-CG2 3.65Å; V203-G228 PolarHBondContact N-O 3.33Å; V203-I229 HydrophobicContact CB-CG1 4.09Å; V203-I229 HydrophobicContact CG1-CG1 4.32Å; V203-I229 HydrophobicContact CG1-CG2 4.27Å; V203-I229 CarbonylContact O-C 3.58Å; V203-I229 WeakPolarHBondContact O-CA 3.33Å; V203-K230 PolarHBondContact O-N 3.1Å
204	Y	98.8	Very high	96	Very high	22 Å²	22	40.9 Å²	40.9	9%	0.086	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	141.5	171.2	-55	-81.8	0	0	0	107.4	V181 L182 D183 K230 I245 P246 V249	V181-Y204 PolarHBondContact O-N 3.45Å; L182-Y204 CarbonylContact C-O 3.57Å; L182-Y204 VanDerWaalsContact CA-O 3.29Å; L182-Y204 WeakPolarHBondContact CA-O 3.45Å; D183-Y204 PolarHBondContact N-O 3.49Å; Y204-K230 WeakPolarHBondContact CA-O 3.34Å; Y204-K230 HydrophobicContact CD1-CB 3.83Å; Y204-K230 HydrophobicContact CD1-CD 3.99Å; Y204-K230 HydrophobicContact CD1-CG 4.37Å; Y204-K230 HydrophobicContact CE1-CB 4.21Å; Y204-K230 HydrophobicContact CE1-CD 4.03Å; Y204-I245 HydrophobicContact CD1-CB 4.24Å; Y204-I245 HydrophobicContact CD1-CG2 3.53Å; Y204-I245 HydrophobicContact CD2-CG2 4.21Å; Y204-I245 HydrophobicContact CE1-CB 4.29Å; Y204-I245 HydrophobicContact CE1-CG2 4.05Å; Y204-I245 HydrophobicContact CG-CB 4.4Å; Y204-I245 HydrophobicContact CG-CG2 3.65Å; Y204-P246 VanDerWaalsContact CZ-CD 3.5Å; Y204-P246 WeakPolarHBondContact OH-CD 3.48Å; Y204-P246 WeakPolarHBondContact OH-CG 3.35Å; Y204-V249 HydrophobicContact CD2-CG1 4.08Å; Y204-V249 HydrophobicContact CE2-CG1 4.45Å
205	A	98.8	Very high	95.9	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.7	173.3	0	0	0	0	0	109.2	D183 A186 S192 K230 L231 L232	D183-A205 HydrophobicContact CB-CB 4.02Å; D183-A205 CarbonylContact O-C 3.41Å; D183-A205 VanDerWaalsContact O-CA 3.26Å; D183-A205 WeakPolarHBondContact O-CA 3.49Å; A186-A205 HydrophobicContact CB-CB 3.53Å; S192-A205 VanDerWaalsContact OG-CB 3.23Å; S192-A205 WeakPolarHBondContact OG-CB 3.48Å; A205-K230 PolarHBondContact N-O 3.36Å; A205-L231 HydrophobicContact CB-CD2 3.59Å; A205-L231 CarbonylContact O-C 3.59Å; A205-L231 WeakPolarHBondContact O-CA 3.38Å; A205-L232 PolarHBondContact O-N 3.27Å
206	C	98.6	Very high	95.8	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.02	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.7	171	65.8	0	0	0	0	111.6	D183 G185 A186 L232 I239	D183-C206 PolarHBondContact O-N 3.46Å; G185-C206 PolarHBondContact N-O 2.91Å; A186-C206 PolarHBondContact N-O 3.12Å; C206-L232 VanDerWaalsContact CA-O 3.29Å; C206-L232 WeakPolarHBondContact CA-O 3.45Å; C206-L232 HydrophobicContact CB-CB 4.27Å; C206-I239 HydrophobicContact CB-CD1 3.85Å
207	E	97.9	Very high	95.8	Very high	25 Å²	25	40.2 Å²	40.2	12%	0.117	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	134.6	177.4	178.7	47.9	-111.3	0	0	108.4	A186 G187 S209 M212 L232 H233 M234	A186-E207 HydrophobicContact CB-CB 4.48Å; A186-E207 PolarHBondContact N-OE2 2.81Å; G187-E207 WeakPolarHBondContact CA-OE2 3.42Å; G187-E207 PolarHBondContact N-OE2 3.32Å; E207-S209 WeakPolarHBondContact CG-O 3.24Å; E207-S209 PolarHBondContact OE1-N 3.03Å; E207-M212 HydrophobicContact CG-CB 3.66Å; E207-L232 PolarHBondContact N-O 3.1Å; E207-H233 CarbonylContact O-C 3.47Å; E207-H233 WeakPolarHBondContact O-CA 3.25Å; E207-M234 PolarHBondContact O-N 2.85Å
208	L	94.8	Very high	95.8	Very high	98 Å²	98	39.4 Å²	39.4	51%	0.513	21%	0.213	S	C	.	.	S	Bend	trans	-84.2	-42.3	-179.7	174.7	58.8	0	0	0	111.2	K210 H233 K235	L208-K210 PolarHBondContact O-N 3.17Å; L208-H233 PolarHBondContact O-CD2 3.05Å; L208-H233 PolarHBondContact O-NE2 3.27Å; L208-H233 VanDerWaalsContact O-NE2 3.09Å; L208-K235 HydrophobicContact CD1-CD 4.34Å; L208-K235 HydrophobicContact CD1-CG 3.58Å; L208-K235 HydrophobicContact CD2-CD 4.48Å; L208-K235 HydrophobicContact CD2-CG 4.2Å; L208-K235 HydrophobicContact CG-CG 4.35Å
209	S	91.8	Very high	95.8	Very high	32 Å²	32	38.3 Å²	38.3	22%	0.224	21%	0.205	C	C	.	.			trans	-69.6	122.3	-180	166.1	0	0	0	0	109.7	E207 T211 M212 Y213	E207-S209 WeakPolarHBondContact CG-O 3.24Å; E207-S209 PolarHBondContact OE1-N 3.03Å; S209-T211 VanDerWaalsContact C-N 3.27Å; S209-T211 PolarHBondContact O-N 3.43Å; S209-M212 PolarHBondContact O-N 3.42Å; S209-M212 PolarHBondContact OG-N 2.95Å; S209-Y213 WeakPolarHBondContact O-CB 3.34Å; S209-Y213 PolarHBondContact O-N 3.47Å
210	K	89.2	Confident	95.9	Very high	97 Å²	97	36.7 Å²	36.7	42%	0.422	19%	0.187	S	C	.	.	H	α-helix	trans	-58	-43.7	177	-174.4	-179.1	171.3	-169.3	0	111.3	L208 Y213 E214 H233	L208-K210 PolarHBondContact O-N 3.17Å; K210-Y213 PolarHBondContact O-N 3.35Å; K210-E214 WeakPolarHBondContact CE-OE1 3.15Å; K210-E214 WeakPolarHBondContact O-CG 3.26Å; K210-E214 PolarHBondContact O-N 3.25Å; K210-H233 WeakPolarHBondContact CA-NE2 3.41Å; K210-H233 PolarHBondContact N-NE2 3.23Å
211	T	89.3	Confident	95.9	Very high	20 Å²	20	38 Å²	38	12%	0.123	20%	0.198	C	C	.	.	H	α-helix	trans	-60.4	-47.7	178.1	-59	0	0	0	0	111.1	L148 V149 S209 E214 L215 F732	L148-T211 HydrophobicContact CB-CG2 4.09Å; V149-T211 HydrophobicContact CG2-CG2 4.01Å; S209-T211 VanDerWaalsContact C-N 3.27Å; S209-T211 PolarHBondContact O-N 3.43Å; T211-E214 PolarHBondContact O-N 2.86Å; T211-L215 VanDerWaalsContact O-CB 3.29Å; T211-L215 WeakPolarHBondContact O-CB 3.42Å; T211-L215 PolarHBondContact O-N 3Å; T211-F732 HydrophobicContact CG2-CE1 3.77Å; T211-F732 HydrophobicContact CG2-CZ 3.71Å
212	M	94.3	Very high	96.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-68.6	-35.3	179.3	-67.5	-57	-64.3	0	0	112.2	V149 T188 E207 S209 L215 A216	V149-M212 HydrophobicContact CB-SD 4.44Å; V149-M212 HydrophobicContact CG1-SD 4.04Å; V149-M212 HydrophobicContact CG2-SD 3.92Å; T188-M212 HydrophobicContact CG2-CE 3.94Å; E207-M212 HydrophobicContact CG-CB 3.66Å; S209-M212 PolarHBondContact O-N 3.42Å; S209-M212 PolarHBondContact OG-N 2.95Å; M212-L215 PolarHBondContact O-N 2.95Å; M212-L215 HydrophobicContact SD-CD1 4.39Å; M212-A216 WeakPolarHBondContact O-CB 3.46Å; M212-A216 PolarHBondContact O-N 3.17Å
213	Y	96.7	Very high	96.3	Very high	62 Å²	62	33.7 Å²	33.7	24%	0.243	18%	0.181	C	C	.	.	H	α-helix	trans	-61.2	-48.4	173.6	167.1	-98.5	0	0	0	112.4	S209 K210 A216 C217 L231 H233	S209-Y213 WeakPolarHBondContact O-CB 3.34Å; S209-Y213 PolarHBondContact O-N 3.47Å; K210-Y213 PolarHBondContact O-N 3.35Å; Y213-A216 PolarHBondContact O-N 2.99Å; Y213-C217 PolarHBondContact O-N 3.38Å; Y213-C217 PolarHBondContact O-SG 3.21Å; Y213-L231 HydrophobicContact CD2-CB 4.19Å; Y213-L231 HydrophobicContact CE2-CB 3.69Å; Y213-H233 HydrophobicContact CD1-CB 3.75Å; Y213-H233 HydrophobicContact CD2-CB 3.69Å; Y213-H233 HydrophobicContact CE1-CB 3.97Å; Y213-H233 HydrophobicContact CE2-CB 3.91Å; Y213-H233 HydrophobicContact CG-CB 3.6Å
214	E	94.1	Very high	96.3	Very high	100 Å²	100	42.9 Å²	42.9	47%	0.467	22%	0.221	S	C	.	.	H	α-helix	trans	-64.2	-43	178.3	-71.4	177.3	-175.3	0	0	110.6	K210 T211 A216 C217 D218	K210-E214 WeakPolarHBondContact CE-OE1 3.15Å; K210-E214 WeakPolarHBondContact O-CG 3.26Å; K210-E214 PolarHBondContact O-N 3.25Å; T211-E214 PolarHBondContact O-N 2.86Å; E214-A216 PolarHBondContact O-N 3.29Å; E214-C217 WeakPolarHBondContact O-CB 3.26Å; E214-C217 PolarHBondContact O-N 3.29Å; E214-C217 VanDerWaalsContact O-N 3.17Å; E214-D218 PolarHBondContact O-N 3.14Å; E214-D218 VanDerWaalsContact O-N 3.08Å
215	L	95	Very high	96.3	Very high	8 Å²	8	43 Å²	43	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-44.7	173.5	-176.5	157.9	0	0	0	111.8	T188 T211 M212 C217 D218 V219 F728 I729 F732	T188-L215 HydrophobicContact CG2-CD2 3.67Å; T211-L215 VanDerWaalsContact O-CB 3.29Å; T211-L215 WeakPolarHBondContact O-CB 3.42Å; T211-L215 PolarHBondContact O-N 3Å; M212-L215 PolarHBondContact O-N 2.95Å; M212-L215 HydrophobicContact SD-CD1 4.39Å; L215-C217 VanDerWaalsContact C-N 3.29Å; L215-C217 PolarHBondContact O-N 3.14Å; L215-D218 PolarHBondContact O-N 3.43Å; L215-V219 HydrophobicContact CD2-CG2 3.77Å; L215-V219 HydrophobicContact CG-CG2 4.47Å; L215-V219 WeakPolarHBondContact O-CB 3.22Å; L215-V219 VanDerWaalsContact O-CG2 3.27Å; L215-V219 WeakPolarHBondContact O-CG2 3.26Å; L215-V219 PolarHBondContact O-N 3.13Å; L215-F728 HydrophobicContact CG-CB 4.42Å; L215-I729 HydrophobicContact CD1-CB 4.04Å; L215-I729 HydrophobicContact CD1-CG1 4.05Å; L215-F732 HydrophobicContact CD1-CD2 4.12Å; L215-F732 HydrophobicContact CD1-CE2 3.9Å
216	A	98.3	Very high	96.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-39	176.5	0	0	0	0	0	111.7	G187 M212 Y213 E214 V219 V220 L231	G187-A216 WeakPolarHBondContact O-CB 3.37Å; M212-A216 WeakPolarHBondContact O-CB 3.46Å; M212-A216 PolarHBondContact O-N 3.17Å; Y213-A216 PolarHBondContact O-N 2.99Å; E214-A216 PolarHBondContact O-N 3.29Å; A216-V219 PolarHBondContact O-N 3.15Å; A216-V220 VanDerWaalsContact O-CB 3.26Å; A216-V220 WeakPolarHBondContact O-CB 3.42Å; A216-V220 VanDerWaalsContact O-CG2 3.24Å; A216-V220 WeakPolarHBondContact O-CG2 3.36Å; A216-V220 PolarHBondContact O-N 3.24Å; A216-L231 HydrophobicContact CB-CD1 3.95Å; A216-L231 HydrophobicContact CB-CD2 4.12Å
217	C	98.3	Very high	95.8	Very high	39 Å²	39	54 Å²	54	26%	0.264	29%	0.294	S	S	.	.	H	α-helix	trans	-59.4	-50.3	175.6	-67.7	0	0	0	0	110.7	Y213 E214 L215 V219 V220 A221 L231	Y213-C217 PolarHBondContact O-N 3.38Å; Y213-C217 PolarHBondContact O-SG 3.21Å; E214-C217 WeakPolarHBondContact O-CB 3.26Å; E214-C217 PolarHBondContact O-N 3.29Å; E214-C217 VanDerWaalsContact O-N 3.17Å; L215-C217 VanDerWaalsContact C-N 3.29Å; L215-C217 PolarHBondContact O-N 3.14Å; C217-V219 PolarHBondContact O-N 3.42Å; C217-V220 PolarHBondContact O-N 3.3Å; C217-A221 WeakPolarHBondContact O-CB 3.33Å; C217-A221 PolarHBondContact O-N 2.97Å; C217-L231 VanDerWaalsContact CA-CD1 3.45Å; C217-L231 HydrophobicContact CB-CD1 4.11Å; C217-L231 VanDerWaalsContact SG-CD1 3.51Å
218	D	97.4	Very high	95.6	Very high	94 Å²	94	53.6 Å²	53.6	50%	0.503	30%	0.296	S	S	.	.	H	α-helix	trans	-63.3	-41.7	179.1	-75.6	-14.1	0	0	0	112.3	E214 L215 A221 A222 F728	E214-D218 PolarHBondContact O-N 3.14Å; E214-D218 VanDerWaalsContact O-N 3.08Å; L215-D218 PolarHBondContact O-N 3.43Å; D218-A221 WeakPolarHBondContact O-CB 3.38Å; D218-A221 PolarHBondContact O-N 3.44Å; D218-A222 VanDerWaalsContact O-CB 3.29Å; D218-A222 WeakPolarHBondContact O-CB 3.24Å; D218-A222 PolarHBondContact O-N 3.2Å; D218-F728 HydrophobicContact CB-CD1 3.75Å; D218-F728 HydrophobicContact CB-CE1 3.95Å
219	V	98.4	Very high	95.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65	-49.3	177.9	168.1	0	0	0	0	111.1	T188 M193 L215 A216 C217 A221 A222 N223 I725 F728	T188-V219 WeakPolarHBondContact O-CG1 3.31Å; M193-V219 HydrophobicContact CE-CG1 3.44Å; M193-V219 VanDerWaalsContact CE-CG1 3.44Å; M193-V219 HydrophobicContact SD-CG1 4.22Å; L215-V219 HydrophobicContact CD2-CG2 3.77Å; L215-V219 HydrophobicContact CG-CG2 4.47Å; L215-V219 WeakPolarHBondContact O-CB 3.22Å; L215-V219 VanDerWaalsContact O-CG2 3.27Å; L215-V219 WeakPolarHBondContact O-CG2 3.26Å; L215-V219 PolarHBondContact O-N 3.13Å; A216-V219 PolarHBondContact O-N 3.15Å; C217-V219 PolarHBondContact O-N 3.42Å; V219-A221 VanDerWaalsContact C-N 3.26Å; V219-A221 PolarHBondContact O-N 2.92Å; V219-A222 PolarHBondContact O-N 2.96Å; V219-N223 PolarHBondContact O-N 3.07Å; V219-N223 PolarHBondContact O-ND2 2.81Å; V219-I725 HydrophobicContact CG1-CB 4.48Å; V219-I725 HydrophobicContact CG1-CG1 3.84Å; V219-I725 HydrophobicContact CG2-CG2 4.39Å; V219-F728 HydrophobicContact CG2-CB 3.67Å; V219-F728 HydrophobicContact CG2-CD2 3.71Å; V219-F728 HydrophobicContact CG2-CG 3.75Å
220	V	98.6	Very high	96.1	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-38	178.8	166.2	0	0	0	0	110.8	M193 A216 C217 N223 K224 M225 E226 I229 L231	M193-V220 HydrophobicContact CG-CG2 4.19Å; M193-V220 HydrophobicContact SD-CG2 4.32Å; A216-V220 VanDerWaalsContact O-CB 3.26Å; A216-V220 WeakPolarHBondContact O-CB 3.42Å; A216-V220 VanDerWaalsContact O-CG2 3.24Å; A216-V220 WeakPolarHBondContact O-CG2 3.36Å; A216-V220 PolarHBondContact O-N 3.24Å; C217-V220 PolarHBondContact O-N 3.3Å; V220-N223 PolarHBondContact O-N 2.81Å; V220-K224 PolarHBondContact O-N 3.29Å; V220-M225 HydrophobicContact CG1-CB 4.14Å; V220-M225 PolarHBondContact O-N 2.96Å; V220-E226 HydrophobicContact CG1-CG 4.37Å; V220-I229 HydrophobicContact CG1-CB 4.12Å; V220-I229 HydrophobicContact CG1-CD1 4.13Å; V220-I229 HydrophobicContact CG2-CD1 4.3Å; V220-L231 HydrophobicContact CB-CD1 4.37Å; V220-L231 HydrophobicContact CG2-CD1 4.2Å
221	A	98.3	Very high	96.5	Very high	30 Å²	30	49 Å²	49	25%	0.248	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-51.8	173.4	0	0	0	0	0	113.3	C217 D218 V219 N223 K224 E226	C217-A221 WeakPolarHBondContact O-CB 3.33Å; C217-A221 PolarHBondContact O-N 2.97Å; D218-A221 WeakPolarHBondContact O-CB 3.38Å; D218-A221 PolarHBondContact O-N 3.44Å; V219-A221 VanDerWaalsContact C-N 3.26Å; V219-A221 PolarHBondContact O-N 2.92Å; A221-N223 PolarHBondContact O-N 3.03Å; A221-K224 WeakPolarHBondContact O-CA 3.34Å; A221-K224 PolarHBondContact O-N 3.37Å; A221-E226 WeakPolarHBondContact CA-OE1 3.45Å; A221-E226 HydrophobicContact CB-CG 3.86Å; A221-E226 WeakPolarHBondContact CB-OE1 3.3Å
222	A	97.8	Very high	97	Very high	40 Å²	40	48.9 Å²	48.9	33%	0.331	27%	0.268	S	S	.	.	H	α-helix	trans	-60.7	-29	178.6	0	0	0	0	0	113	D218 V219 K224 F728	D218-A222 VanDerWaalsContact O-CB 3.29Å; D218-A222 WeakPolarHBondContact O-CB 3.24Å; D218-A222 PolarHBondContact O-N 3.2Å; V219-A222 PolarHBondContact O-N 2.96Å; A222-K224 VanDerWaalsContact C-N 3.34Å; A222-F728 HydrophobicContact CB-CE1 4.33Å; A222-F728 HydrophobicContact CB-CE2 3.48Å; A222-F728 VanDerWaalsContact CB-CE2 3.48Å; A222-F728 HydrophobicContact CB-CZ 3.28Å
223	N	98.4	Very high	97.1	Very high	31 Å²	31	53 Å²	53	17%	0.166	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	1.5	175.3	-72.3	-84.4	0	0	0	113.6	M193 V219 V220 A221 M225 N724	M193-N223 HydrophobicContact SD-CB 3.72Å; V219-N223 PolarHBondContact O-N 3.07Å; V219-N223 PolarHBondContact O-ND2 2.81Å; V220-N223 PolarHBondContact O-N 2.81Å; A221-N223 PolarHBondContact O-N 3.03Å; N223-M225 HydrophobicContact CB-CG 4.29Å; N223-M225 HydrophobicContact CB-SD 4.38Å; N223-M225 WeakPolarHBondContact O-CG 3.21Å; N223-N724 PolarHBondContact ND2-N 3.21Å; N223-N724 PolarHBondContact ND2-O 3.42Å; N223-N724 PolarHBondContact OD1-N 3.35Å
224	K	98.1	Very high	97.2	Very high	194 Å²	194	51.9 Å²	51.9	84%	0.843	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	39.2	177.1	-52.1	177.5	-179.4	176.8	0	113.6	V220 A221 A222	V220-K224 PolarHBondContact O-N 3.29Å; A221-K224 WeakPolarHBondContact O-CA 3.34Å; A221-K224 PolarHBondContact O-N 3.37Å; A222-K224 VanDerWaalsContact C-N 3.34Å
225	M	97.9	Very high	97.3	Very high	25 Å²	25	52.2 Å²	52.2	12%	0.123	28%	0.284	C	S	.	.			trans	-117.1	3.5	-175.2	-53.8	-173.7	81.4	0	0	114.2	M193 K196 K197 V220 N223 A227 G228 I229	M193-M225 HydrophobicContact CB-SD 3.85Å; M193-M225 HydrophobicContact CG-SD 3.71Å; M193-M225 HydrophobicContact SD-SD 4.13Å; K196-M225 HydrophobicContact CB-CE 3.41Å; K196-M225 VanDerWaalsContact CB-CE 3.41Å; K196-M225 HydrophobicContact CG-CE 3.37Å; K197-M225 HydrophobicContact CB-CE 4.42Å; K197-M225 HydrophobicContact CG-CE 3.6Å; K197-M225 HydrophobicContact CG-SD 4.24Å; V220-M225 HydrophobicContact CG1-CB 4.14Å; V220-M225 PolarHBondContact O-N 2.96Å; N223-M225 HydrophobicContact CB-CG 4.29Å; N223-M225 HydrophobicContact CB-SD 4.38Å; N223-M225 WeakPolarHBondContact O-CG 3.21Å; M225-A227 VanDerWaalsContact C-N 3.3Å; M225-A227 PolarHBondContact O-N 3.32Å; M225-G228 PolarHBondContact O-N 2.91Å; M225-G228 VanDerWaalsContact O-N 3.14Å; M225-I229 HydrophobicContact CB-CD1 3.79Å; M225-I229 HydrophobicContact CB-CG1 4.42Å; M225-I229 PolarHBondContact O-N 3.27Å
226	E	94.9	Very high	97.4	Very high	120 Å²	120	52.1 Å²	52.1	56%	0.561	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-52	-42.5	-178.7	-63.7	164.3	-139.5	0	0	113.7	V220 A221 G228 I229	V220-E226 HydrophobicContact CG1-CG 4.37Å; A221-E226 WeakPolarHBondContact CA-OE1 3.45Å; A221-E226 HydrophobicContact CB-CG 3.86Å; A221-E226 WeakPolarHBondContact CB-OE1 3.3Å; E226-G228 PolarHBondContact O-N 3.38Å; E226-I229 PolarHBondContact O-N 3.44Å
227	A	92.9	Very high	97.4	Very high	116 Å²	116	55.5 Å²	55.5	96%	0.959	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-65.8	-12.7	-174.7	0	0	0	0	0	114	M225	M225-A227 VanDerWaalsContact C-N 3.3Å; M225-A227 PolarHBondContact O-N 3.32Å
228	G	92.8	Very high	97.4	Very high	16 Å²	16	58 Å²	58	17%	0.165	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-126.9	1.4	-178.5	0	0	0	0	0	115.5	V203 M225 E226	V203-G228 PolarHBondContact N-O 3.33Å; M225-G228 PolarHBondContact O-N 2.91Å; M225-G228 VanDerWaalsContact O-N 3.14Å; E226-G228 PolarHBondContact O-N 3.38Å
229	I	98.5	Very high	97.4	Very high	10 Å²	10	53.6 Å²	53.6	5%	0.051	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	117.3	177.5	-56.7	177.3	0	0	0	107.7	M193 K196 V203 V220 M225 E226 L231	M193-I229 HydrophobicContact CG-CD1 3.88Å; K196-I229 HydrophobicContact CB-CD1 3.96Å; K196-I229 HydrophobicContact CB-CG1 4.01Å; K196-I229 HydrophobicContact CG-CD1 4.36Å; K196-I229 HydrophobicContact CG-CG1 4.14Å; V203-I229 HydrophobicContact CB-CG1 4.09Å; V203-I229 HydrophobicContact CG1-CG1 4.32Å; V203-I229 HydrophobicContact CG1-CG2 4.27Å; V203-I229 CarbonylContact O-C 3.58Å; V203-I229 WeakPolarHBondContact O-CA 3.33Å; V220-I229 HydrophobicContact CG1-CB 4.12Å; V220-I229 HydrophobicContact CG1-CD1 4.13Å; V220-I229 HydrophobicContact CG2-CD1 4.3Å; M225-I229 HydrophobicContact CB-CD1 3.79Å; M225-I229 HydrophobicContact CB-CG1 4.42Å; M225-I229 PolarHBondContact O-N 3.27Å; E226-I229 PolarHBondContact O-N 3.44Å; I229-L231 HydrophobicContact CG2-CD2 4.29Å; I229-L231 HydrophobicContact CG2-CG 4.38Å
230	K	98.5	Very high	97.4	Very high	97 Å²	97	58.5 Å²	58.5	42%	0.422	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	109.9	174.1	-176.4	-176.6	-175.4	-171.7	0	109.6	V203 Y204 A205 L232 H244	V203-K230 PolarHBondContact O-N 3.1Å; Y204-K230 WeakPolarHBondContact CA-O 3.34Å; Y204-K230 HydrophobicContact CD1-CB 3.83Å; Y204-K230 HydrophobicContact CD1-CD 3.99Å; Y204-K230 HydrophobicContact CD1-CG 4.37Å; Y204-K230 HydrophobicContact CE1-CB 4.21Å; Y204-K230 HydrophobicContact CE1-CD 4.03Å; A205-K230 PolarHBondContact N-O 3.36Å; K230-L232 HydrophobicContact CD-CD2 4.24Å; K230-L232 HydrophobicContact CG-CD2 4.25Å; K230-H244 PolarHBondContact NZ-O 2.62Å
231	L	98.7	Very high	97.3	Very high	23 Å²	23	61.4 Å²	61.4	12%	0.12	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	137.8	175.1	-63.6	167.4	0	0	0	110.6	A205 Y213 A216 C217 V220 I229	A205-L231 HydrophobicContact CB-CD2 3.59Å; A205-L231 CarbonylContact O-C 3.59Å; A205-L231 WeakPolarHBondContact O-CA 3.38Å; Y213-L231 HydrophobicContact CD2-CB 4.19Å; Y213-L231 HydrophobicContact CE2-CB 3.69Å; A216-L231 HydrophobicContact CB-CD1 3.95Å; A216-L231 HydrophobicContact CB-CD2 4.12Å; C217-L231 VanDerWaalsContact CA-CD1 3.45Å; C217-L231 HydrophobicContact CB-CD1 4.11Å; C217-L231 VanDerWaalsContact SG-CD1 3.51Å; V220-L231 HydrophobicContact CB-CD1 4.37Å; V220-L231 HydrophobicContact CG2-CD1 4.2Å; I229-L231 HydrophobicContact CG2-CD2 4.29Å; I229-L231 HydrophobicContact CG2-CG 4.38Å
232	L	98.6	Very high	97.2	Very high	17 Å²	17	64.8 Å²	64.8	9%	0.089	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121.7	-179.6	-58.1	174.6	0	0	0	109.7	A205 C206 E207 K230 M234 I239 H244 I245	A205-L232 PolarHBondContact O-N 3.27Å; C206-L232 VanDerWaalsContact CA-O 3.29Å; C206-L232 WeakPolarHBondContact CA-O 3.45Å; C206-L232 HydrophobicContact CB-CB 4.27Å; E207-L232 PolarHBondContact N-O 3.1Å; K230-L232 HydrophobicContact CD-CD2 4.24Å; K230-L232 HydrophobicContact CG-CD2 4.25Å; L232-M234 HydrophobicContact CB-CG 4.06Å; L232-M234 HydrophobicContact CB-SD 4.04Å; L232-M234 HydrophobicContact CD1-SD 4.3Å; L232-M234 PolarHBondContact O-N 3.19Å; L232-I239 HydrophobicContact CD1-CD1 4.33Å; L232-H244 HydrophobicContact CD1-CB 4.34Å; L232-I245 HydrophobicContact CD1-CG2 4.11Å
233	H	98.1	Very high	97.2	Very high	89 Å²	89	69.6 Å²	69.6	41%	0.412	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	85.5	173.5	179.9	-144.2	0	0	0	109.9	E207 L208 K210 Y213	E207-H233 CarbonylContact O-C 3.47Å; E207-H233 WeakPolarHBondContact O-CA 3.25Å; L208-H233 PolarHBondContact O-CD2 3.05Å; L208-H233 PolarHBondContact O-NE2 3.27Å; L208-H233 VanDerWaalsContact O-NE2 3.09Å; K210-H233 WeakPolarHBondContact CA-NE2 3.41Å; K210-H233 PolarHBondContact N-NE2 3.23Å; Y213-H233 HydrophobicContact CD1-CB 3.75Å; Y213-H233 HydrophobicContact CD2-CB 3.69Å; Y213-H233 HydrophobicContact CE1-CB 3.97Å; Y213-H233 HydrophobicContact CE2-CB 3.91Å; Y213-H233 HydrophobicContact CG-CB 3.6Å
234	M	97.2	Very high	97.2	Very high	38 Å²	38	69.6 Å²	69.6	19%	0.187	36%	0.359	C	S	.	.	S	Bend	trans	-171.4	163.7	-178.9	64.7	-159.3	-29.9	0	0	112.1	E207 L232 D238 I239 H244	E207-M234 PolarHBondContact O-N 2.85Å; L232-M234 HydrophobicContact CB-CG 4.06Å; L232-M234 HydrophobicContact CB-SD 4.04Å; L232-M234 HydrophobicContact CD1-SD 4.3Å; L232-M234 PolarHBondContact O-N 3.19Å; M234-D238 HydrophobicContact CE-CB 4.17Å; M234-I239 HydrophobicContact CG-CG1 4.14Å; M234-I239 HydrophobicContact SD-CG1 4.07Å; M234-H244 VanDerWaalsContact CE-CE1 3.48Å; M234-H244 WeakPolarHBondContact CE-CE1 3.23Å; M234-H244 HydrophobicContact SD-CB 4.43Å
235	K	96.6	Very high	97.2	Very high	106 Å²	106	60.3 Å²	60.3	46%	0.461	32%	0.318	S	S	.	.			trans	-69.1	148.9	168.5	-61.2	-171.9	177.2	-172.4	0	110.7	L208 L237 D238	L208-K235 HydrophobicContact CD1-CD 4.34Å; L208-K235 HydrophobicContact CD1-CG 3.58Å; L208-K235 HydrophobicContact CD2-CD 4.48Å; L208-K235 HydrophobicContact CD2-CG 4.2Å; L208-K235 HydrophobicContact CG-CG 4.35Å; K235-L237 PolarHBondContact O-N 3.29Å; K235-D238 PolarHBondContact O-N 3.34Å; K235-D238 VanDerWaalsContact O-N 3.08Å
236	S	97.3	Very high	97.1	Very high	7 Å²	7	62.7 Å²	62.7	5%	0.049	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-56.6	-34.2	174.2	62.6	0	0	0	0	112.6	D238 I239 S269 H272	S236-D238 PolarHBondContact O-N 3.42Å; S236-I239 WeakPolarHBondContact O-CB 3.36Å; S236-I239 PolarHBondContact O-N 2.87Å; S236-S269 PolarHBondContact OG-OG 3.09Å; S236-H272 PolarHBondContact O-CE1 2.88Å; S236-H272 PolarHBondContact O-ND1 2.9Å; S236-H272 VanDerWaalsContact O-ND1 3.08Å
237	L	97.4	Very high	97.2	Very high	71 Å²	71	62.7 Å²	62.7	37%	0.372	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-64.3	-21.4	178.8	-58.2	-179.9	0	0	0	113.8	K235 H272	K235-L237 PolarHBondContact O-N 3.29Å; L237-H272 HydrophobicContact CD2-CB 3.43Å; L237-H272 VanDerWaalsContact CD2-CB 3.43Å; L237-H272 PolarHBondContact O-NE2 3.22Å
238	D	98.1	Very high	97.4	Very high	91 Å²	91	61.1 Å²	61.1	49%	0.487	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-99.6	2.4	-178.4	-58.8	-45.2	0	0	0	112.6	M234 K235 S236 E240 H244	M234-D238 HydrophobicContact CE-CB 4.17Å; K235-D238 PolarHBondContact O-N 3.34Å; K235-D238 VanDerWaalsContact O-N 3.08Å; S236-D238 PolarHBondContact O-N 3.42Å; D238-E240 PolarHBondContact O-N 3Å; D238-H244 PolarHBondContact O-CE1 3.36Å; D238-H244 VanDerWaalsContact O-CE1 3.27Å; D238-H244 PolarHBondContact O-ND1 3.45Å; D238-H244 VanDerWaalsContact O-ND1 3.17Å
239	I	98.4	Very high	97.7	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	30%	0.297	C	S	.	.			trans	-75.5	128.1	178.9	-60.1	178.2	0	0	0	109.3	L182 C206 L232 M234 S236 H244 I245 L277	L182-I239 HydrophobicContact CD1-CD1 4.25Å; L182-I239 HydrophobicContact CD2-CD1 4.43Å; C206-I239 HydrophobicContact CB-CD1 3.85Å; L232-I239 HydrophobicContact CD1-CD1 4.33Å; M234-I239 HydrophobicContact CG-CG1 4.14Å; M234-I239 HydrophobicContact SD-CG1 4.07Å; S236-I239 WeakPolarHBondContact O-CB 3.36Å; S236-I239 PolarHBondContact O-N 2.87Å; I239-H244 HydrophobicContact CG2-CB 4.08Å; I239-I245 HydrophobicContact CG2-CD1 4.04Å; I239-I245 HydrophobicContact CG2-CG1 4.13Å; I239-I245 HydrophobicContact CG2-CG2 4.26Å; I239-L277 HydrophobicContact CB-CD1 4.02Å; I239-L277 HydrophobicContact CB-CD2 4.06Å; I239-L277 HydrophobicContact CD1-CD1 4.38Å; I239-L277 HydrophobicContact CG2-CD1 4.18Å; I239-L277 HydrophobicContact CG2-CD2 3.69Å
240	E	97.8	Very high	97.6	Very high	103 Å²	103	60.2 Å²	60.2	48%	0.481	30%	0.297	S	S	.	.			trans	-123.5	143.9	-176.9	-71.1	176.7	-178.5	0	0	109.9	D238 K243 H244 I245	D238-E240 PolarHBondContact O-N 3Å; E240-K243 HydrophobicContact CB-CB 4.11Å; E240-K243 PolarHBondContact O-N 2.7Å; E240-K243 WeakPolarHBondContact OE2-CD 3.41Å; E240-K243 IonicContact OE2-NZ 3.4Å; E240-H244 PolarHBondContact N-ND1 3.06Å; E240-H244 PolarHBondContact O-N 3.04Å; E240-I245 PolarHBondContact O-N 2.87Å
241	I	97.1	Very high	97.6	Very high	63 Å²	63	55.6 Å²	55.6	32%	0.323	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	129.8	172.5	-54.3	-170.2	0	0	0	108.7	I245 R248 H276 L277	I241-I245 HydrophobicContact CD1-CD1 4.02Å; I241-I245 HydrophobicContact CD1-CG1 4.02Å; I241-I245 HydrophobicContact CG1-CD1 4.08Å; I241-I245 HydrophobicContact CG1-CG1 3.66Å; I241-R248 HydrophobicContact CD1-CB 4.34Å; I241-R248 HydrophobicContact CD1-CG 3.6Å; I241-H276 WeakPolarHBondContact CD1-O 3.39Å; I241-L277 HydrophobicContact CD1-CD2 4.33Å; I241-L277 HydrophobicContact CG1-CD2 4.18Å
242	P	96.8	Very high	97.6	Very high	102 Å²	102	54.5 Å²	54.5	66%	0.662	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	cis	-93	5.7	5.1	36.5	-36.2	0	0	0	114.9	H244 I245	P242-H244 PolarHBondContact O-N 3.4Å; P242-I245 CarbonylContact C-O 3.6Å; P242-I245 VanDerWaalsContact C-O 3.29Å; P242-I245 VanDerWaalsContact CA-O 3.22Å; P242-I245 WeakPolarHBondContact CA-O 3.37Å
243	K	97.6	Very high	97.6	Very high	140 Å²	140	53.8 Å²	53.8	61%	0.609	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-49	-167.9	-178.1	-172.6	174.2	-166.5	0	113.4	E240	E240-K243 HydrophobicContact CB-CB 4.11Å; E240-K243 PolarHBondContact O-N 2.7Å; E240-K243 WeakPolarHBondContact OE2-CD 3.41Å; E240-K243 IonicContact OE2-NZ 3.4Å
244	H	97.9	Very high	97.6	Very high	31 Å²	31	49.6 Å²	49.6	14%	0.144	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-42.8	-175.3	-57.8	131.4	0	0	0	111.4	K230 L232 M234 D238 I239 E240 P242	K230-H244 PolarHBondContact NZ-O 2.62Å; L232-H244 HydrophobicContact CD1-CB 4.34Å; M234-H244 VanDerWaalsContact CE-CE1 3.48Å; M234-H244 WeakPolarHBondContact CE-CE1 3.23Å; M234-H244 HydrophobicContact SD-CB 4.43Å; D238-H244 PolarHBondContact O-CE1 3.36Å; D238-H244 VanDerWaalsContact O-CE1 3.27Å; D238-H244 PolarHBondContact O-ND1 3.45Å; D238-H244 VanDerWaalsContact O-ND1 3.17Å; I239-H244 HydrophobicContact CG2-CB 4.08Å; E240-H244 PolarHBondContact N-ND1 3.06Å; E240-H244 PolarHBondContact O-N 3.04Å; P242-H244 PolarHBondContact O-N 3.4Å
245	I	97.4	Very high	97.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-125.8	143.2	172.7	67	-179	0	0	0	109.8	Y204 L232 I239 E240 I241 P242 V249 L277	Y204-I245 HydrophobicContact CD1-CB 4.24Å; Y204-I245 HydrophobicContact CD1-CG2 3.53Å; Y204-I245 HydrophobicContact CD2-CG2 4.21Å; Y204-I245 HydrophobicContact CE1-CB 4.29Å; Y204-I245 HydrophobicContact CE1-CG2 4.05Å; Y204-I245 HydrophobicContact CG-CB 4.4Å; Y204-I245 HydrophobicContact CG-CG2 3.65Å; L232-I245 HydrophobicContact CD1-CG2 4.11Å; I239-I245 HydrophobicContact CG2-CD1 4.04Å; I239-I245 HydrophobicContact CG2-CG1 4.13Å; I239-I245 HydrophobicContact CG2-CG2 4.26Å; E240-I245 PolarHBondContact O-N 2.87Å; I241-I245 HydrophobicContact CD1-CD1 4.02Å; I241-I245 HydrophobicContact CD1-CG1 4.02Å; I241-I245 HydrophobicContact CG1-CD1 4.08Å; I241-I245 HydrophobicContact CG1-CG1 3.66Å; P242-I245 CarbonylContact C-O 3.6Å; P242-I245 VanDerWaalsContact C-O 3.29Å; P242-I245 VanDerWaalsContact CA-O 3.22Å; P242-I245 WeakPolarHBondContact CA-O 3.37Å; I245-V249 HydrophobicContact CD1-CG1 4.46Å; I245-L277 HydrophobicContact CD1-CD2 4.07Å
246	P	96.9	Very high	97.4	Very high	74 Å²	74	44.4 Å²	44.4	48%	0.481	23%	0.226	S	C	.	.	S	Bend	trans	-72.2	-32.9	-168.9	27.3	-34.1	0	0	0	113.7	Y204	Y204-P246 VanDerWaalsContact CZ-CD 3.5Å; Y204-P246 WeakPolarHBondContact OH-CD 3.48Å; Y204-P246 WeakPolarHBondContact OH-CG 3.35Å
247	E	96.8	Very high	97.3	Very high	120 Å²	120	44 Å²	44	56%	0.561	22%	0.224	S	C	*	.	S	Bend	trans	-152.9	167.6	-176.4	64.1	-174.2	166.6	0	0	110.8
248	R	97.4	Very high	97.1	Very high	84 Å²	84	41.4 Å²	41.4	32%	0.317	21%	0.21	S	C	.	.			trans	-64.4	144.5	177.5	-74.1	176.7	174.8	-111	0.6	111.1	I241 W274 E275 H276 L277 L278 L279	I241-R248 HydrophobicContact CD1-CB 4.34Å; I241-R248 HydrophobicContact CD1-CG 3.6Å; R248-W274 PolarHBondContact NH1-O 3.4Å; R248-E275 PolarHBondContact NH1-O 3.03Å; R248-E275 VanDerWaalsContact NH1-O 3.14Å; R248-E275 PolarHBondContact NH2-O 3.15Å; R248-H276 VanDerWaalsContact CZ-O 3.29Å; R248-H276 PolarHBondContact NE-O 2.77Å; R248-H276 PolarHBondContact NH2-O 3.3Å; R248-L277 CarbonylContact C-O 3.43Å; R248-L277 WeakPolarHBondContact CA-O 3.38Å; R248-L277 VanDerWaalsContact CB-O 3.28Å; R248-L277 WeakPolarHBondContact CB-O 3.42Å; R248-L278 VanDerWaalsContact CD-O 3.29Å; R248-L278 WeakPolarHBondContact CD-O 3.38Å; R248-L278 PolarHBondContact NH1-O 2.71Å; R248-L279 HydrophobicContact CB-CD2 3.9Å; R248-L279 HydrophobicContact CB-CG 4.27Å
249	V	97.8	Very high	96.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-91	155	-178.7	-59.7	0	0	0	0	112	L182 Y204 I245 V252 L277 L278 L279	L182-V249 HydrophobicContact CB-CB 4.41Å; L182-V249 HydrophobicContact CB-CG1 4.09Å; L182-V249 HydrophobicContact CB-CG2 3.8Å; Y204-V249 HydrophobicContact CD2-CG1 4.08Å; Y204-V249 HydrophobicContact CE2-CG1 4.45Å; I245-V249 HydrophobicContact CD1-CG1 4.46Å; V249-V252 HydrophobicContact CG2-CG2 3.99Å; V249-L277 PolarHBondContact N-O 3.03Å; V249-L278 HydrophobicContact CG2-CD2 4.07Å; V249-L278 HydrophobicContact CG2-CG 4.48Å; V249-L279 WeakPolarHBondContact O-CG 3.37Å; V249-L279 PolarHBondContact O-N 3.04Å
250	S	97.6	Very high	96.7	Very high	7 Å²	7	37.4 Å²	37.4	5%	0.049	19%	0.19	C	C	.	.	S	Bend	trans	-86.7	-21.9	176.3	55.9	0	0	0	0	113.3	S178 R179 S180 K295	S178-S250 WeakPolarHBondContact CA-OG 3.47Å; R179-S250 PolarHBondContact N-OG 2.99Å; S180-S250 PolarHBondContact N-OG 3.32Å; S180-S250 VanDerWaalsContact N-OG 3.15Å; S180-S250 PolarHBondContact O-N 3.11Å; S180-S250 PolarHBondContact O-OG 3.23Å; S250-K295 PolarHBondContact O-N 2.89Å
251	L	98.6	Very high	96.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	131.3	-178.4	176.4	66.5	0	0	0	109.8	A173 S180 V181 L182 V253 K295 I297	A173-L251 HydrophobicContact CB-CD1 4.46Å; A173-L251 HydrophobicContact CB-CD2 3.97Å; S180-L251 PolarHBondContact O-N 2.95Å; V181-L251 CarbonylContact C-O 3.29Å; V181-L251 VanDerWaalsContact CA-O 3.31Å; V181-L251 WeakPolarHBondContact CA-O 3.45Å; V181-L251 HydrophobicContact CG1-CD2 4.18Å; V181-L251 HydrophobicContact CG1-CG 4.33Å; V181-L251 HydrophobicContact CG2-CB 4.3Å; V181-L251 HydrophobicContact CG2-CD2 4.11Å; L182-L251 PolarHBondContact N-O 3.05Å; L251-V253 HydrophobicContact CD1-CG2 4.44Å; L251-V253 HydrophobicContact CD2-CG2 3.88Å; L251-V253 HydrophobicContact CG-CG2 3.93Å; L251-K295 CarbonylContact C-O 3.53Å; L251-K295 VanDerWaalsContact CA-O 3.32Å; L251-K295 WeakPolarHBondContact CA-O 3.29Å; L251-K295 HydrophobicContact CD1-CB 4.33Å; L251-K295 HydrophobicContact CD1-CG 4.34Å; L251-I297 HydrophobicContact CD1-CD1 3.98Å; L251-I297 HydrophobicContact CD1-CG1 3.94Å; L251-I297 HydrophobicContact CD2-CD1 4.41Å
252	V	98.8	Very high	96.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131.6	160.7	165.5	0	0	0	0	107.8	L182 I184 V249 L270 A273 L278 K295 V296 I297	L182-V252 HydrophobicContact CB-CG2 4.13Å; L182-V252 HydrophobicContact CD2-CG2 4.29Å; L182-V252 CarbonylContact O-C 3.6Å; L182-V252 VanDerWaalsContact O-CA 3.27Å; L182-V252 WeakPolarHBondContact O-CA 3.4Å; I184-V252 HydrophobicContact CD1-CG1 3.72Å; I184-V252 HydrophobicContact CG1-CG1 4.22Å; V249-V252 HydrophobicContact CG2-CG2 3.99Å; V252-L270 HydrophobicContact CG1-CD2 4Å; V252-A273 HydrophobicContact CG2-CB 4.25Å; V252-L278 HydrophobicContact CB-CD1 4.18Å; V252-L278 HydrophobicContact CB-CD2 4.19Å; V252-L278 HydrophobicContact CB-CG 4.36Å; V252-L278 HydrophobicContact CG2-CD1 3.79Å; V252-L278 HydrophobicContact CG2-CD2 3.67Å; V252-L278 HydrophobicContact CG2-CG 3.57Å; V252-K295 PolarHBondContact N-O 3.21Å; V252-V296 HydrophobicContact CB-CG2 4.39Å; V252-V296 HydrophobicContact CG1-CG1 4.48Å; V252-V296 CarbonylContact O-C 3.43Å; V252-V296 WeakPolarHBondContact O-CA 3.48Å; V252-I297 PolarHBondContact O-N 3.47Å
253	V	98.7	Very high	96	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	135.3	166.1	-173.4	0	0	0	0	106.5	Y166 I170 V181 L182 D183 I184 L191 L251 I297	Y166-V253 HydrophobicContact CE1-CG1 4.37Å; I170-V253 HydrophobicContact CD1-CG1 4.09Å; I170-V253 HydrophobicContact CD1-CG2 4.45Å; I170-V253 HydrophobicContact CG1-CG1 4.38Å; I170-V253 HydrophobicContact CG1-CG2 4.17Å; V181-V253 HydrophobicContact CG1-CG2 4.08Å; L182-V253 PolarHBondContact O-N 3.39Å; D183-V253 WeakPolarHBondContact CA-O 3.48Å; I184-V253 PolarHBondContact N-O 3.37Å; L191-V253 HydrophobicContact CB-CG1 4.37Å; L191-V253 HydrophobicContact CD1-CG1 3.81Å; L251-V253 HydrophobicContact CD1-CG2 4.44Å; L251-V253 HydrophobicContact CD2-CG2 3.88Å; L251-V253 HydrophobicContact CG-CG2 3.93Å; V253-I297 CarbonylContact C-O 3.58Å; V253-I297 WeakPolarHBondContact CA-O 3.5Å; V253-I297 HydrophobicContact CG1-CB 4.48Å; V253-I297 HydrophobicContact CG1-CG2 4.43Å; V253-I297 HydrophobicContact CG2-CB 4.41Å
254	T	98.1	Very high	95.7	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	153.1	174	-173.7	0	0	0	0	110.5	Y166 I184 T256 I266 L270 I297 P298	Y166-T254 PolarHBondContact OH-O 3.47Å; I184-T254 PolarHBondContact O-OG1 3.32Å; T254-T256 PolarHBondContact OG1-N 2.94Å; T254-T256 PolarHBondContact OG1-OG1 3.04Å; T254-I266 HydrophobicContact CG2-CD1 3.88Å; T254-I266 HydrophobicContact CG2-CG1 4.15Å; T254-L270 HydrophobicContact CG2-CD2 4.26Å; T254-I297 PolarHBondContact N-O 2.71Å; T254-P298 WeakPolarHBondContact O-CD 2.97Å
255	E	95.8	Very high	95.4	Very high	16 Å²	16	21.8 Å²	21.8	8%	0.075	12%	0.117	C	C	.	.			trans	-141.3	32	173	-147.9	-81.7	124	0	0	110.2	M156 R162 Y166 L191 V257 W432	M156-E255 WeakPolarHBondContact CE-OE2 3.32Å; R162-E255 IonicContact CZ-OE2 3.8Å; R162-E255 IonicContact NE-OE2 3.94Å; R162-E255 VanDerWaalsContact NH2-CD 3.27Å; R162-E255 IonicContact NH2-OE2 3.81Å; R162-E255 PolarHBondContact NH2-OE2 3.23Å; Y166-E255 HydrophobicContact CE2-CG 4.02Å; Y166-E255 WeakPolarHBondContact OH-CG 3.42Å; L191-E255 HydrophobicContact CD1-CB 4.01Å; E255-V257 VanDerWaalsContact C-N 3.27Å; E255-V257 PolarHBondContact O-N 3.28Å; E255-V257 VanDerWaalsContact O-N 3.16Å; E255-V257 VanDerWaalsContact OE1-CG2 3.29Å; E255-V257 WeakPolarHBondContact OE1-CG2 3.07Å; E255-W432 VanDerWaalsContact OE1-CH2 3.29Å; E255-W432 WeakPolarHBondContact OE1-CH2 3.49Å; E255-W432 WeakPolarHBondContact OE1-CZ2 3.4Å
256	T	94	Very high	95.3	Very high	18 Å²	18	21.8 Å²	21.8	11%	0.11	12%	0.117	C	C	.	.			trans	-85.7	68.4	174.2	59.5	0	0	0	0	109.4	I184 T254 E264 I266	I184-T256 HydrophobicContact CG2-CG2 4.3Å; T254-T256 PolarHBondContact OG1-N 2.94Å; T254-T256 PolarHBondContact OG1-OG1 3.04Å; T256-E264 WeakPolarHBondContact CA-OE2 3.28Å; T256-E264 WeakPolarHBondContact O-CB 3.34Å; T256-I266 WeakPolarHBondContact O-CB 2.79Å
257	V	94.3	Very high	95.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.097	C	C	.	.			trans	-129.5	138.5	-178.5	-63.7	0	0	0	0	109.7	E255 L261 E264 I266 F412 L414 W432	E255-V257 VanDerWaalsContact C-N 3.27Å; E255-V257 PolarHBondContact O-N 3.28Å; E255-V257 VanDerWaalsContact O-N 3.16Å; E255-V257 VanDerWaalsContact OE1-CG2 3.29Å; E255-V257 WeakPolarHBondContact OE1-CG2 3.07Å; V257-L261 HydrophobicContact CB-CD1 4.26Å; V257-L261 HydrophobicContact CG1-CD1 3.82Å; V257-E264 PolarHBondContact N-OE2 3.14Å; V257-E264 VanDerWaalsContact N-OE2 3.1Å; V257-I266 HydrophobicContact CG1-CD1 3.58Å; V257-F412 HydrophobicContact CG2-CZ 4.35Å; V257-L414 HydrophobicContact CG2-CD1 4.4Å; V257-W432 HydrophobicContact CG2-CH2 3.81Å; V257-W432 HydrophobicContact CG2-CZ2 4.11Å; V257-W432 HydrophobicContact CG2-CZ3 4.42Å; V257-W432 WeakPolarHBondContact O-CH2 3.37Å; V257-W432 WeakPolarHBondContact O-CZ3 3.26Å
258	D	93	Very high	95.1	Very high	15 Å²	15	17.8 Å²	17.8	8%	0.08	9%	0.093	C	C	.	.			trans	-103.6	-172	174	78.4	-53.3	0	0	0	110.9	G260 L261 F262 G263 E264 Y352 F412	D258-G260 PolarHBondContact O-N 2.94Å; D258-G260 PolarHBondContact OD1-N 3.09Å; D258-G260 PolarHBondContact OD2-N 3.49Å; D258-L261 PolarHBondContact O-N 3.34Å; D258-L261 PolarHBondContact OD1-N 3.45Å; D258-F262 PolarHBondContact OD1-N 2.87Å; D258-F262 VanDerWaalsContact OD1-N 3.15Å; D258-G263 WeakPolarHBondContact OD1-CA 3.44Å; D258-G263 PolarHBondContact OD1-N 3.27Å; D258-E264 HydrophobicContact CB-CG 4.19Å; D258-Y352 WeakPolarHBondContact OD2-CE2 3.45Å; D258-Y352 VanDerWaalsContact OD2-CZ 3.29Å; D258-Y352 PolarHBondContact OD2-OH 3.46Å; D258-F412 WeakPolarHBondContact O-CE1 3.22Å; D258-F412 WeakPolarHBondContact O-CZ 3.3Å
259	A	93.6	Very high	95.1	Very high	8 Å²	8	14.5 Å²	14.5	7%	0.066	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.5	177.4	0	0	0	0	0	113.6	T354 F412 A435	A259-T354 HydrophobicContact CB-CG2 3.67Å; A259-F412 WeakPolarHBondContact O-CE1 3.2Å; A259-A435 HydrophobicContact CB-CB 4.39Å
260	G	93.8	Very high	95.1	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.01	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	13.8	174.5	0	0	0	0	0	114.6	D258 F262 Y352	D258-G260 PolarHBondContact O-N 2.94Å; D258-G260 PolarHBondContact OD1-N 3.09Å; D258-G260 PolarHBondContact OD2-N 3.49Å; G260-F262 PolarHBondContact O-N 2.94Å; G260-Y352 WeakPolarHBondContact CA-OH 3.17Å
261	L	95.6	Very high	95	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	67.6	-46.1	-176.5	-176.5	66.6	0	0	0	115.6	V257 D258 A301 I303 V376 F378 F412 L414	V257-L261 HydrophobicContact CB-CD1 4.26Å; V257-L261 HydrophobicContact CG1-CD1 3.82Å; D258-L261 PolarHBondContact O-N 3.34Å; D258-L261 PolarHBondContact OD1-N 3.45Å; L261-A301 HydrophobicContact CD1-CB 4.27Å; L261-A301 HydrophobicContact CD2-CB 3.56Å; L261-I303 HydrophobicContact CB-CD1 4.44Å; L261-I303 HydrophobicContact CD2-CD1 3.87Å; L261-I303 HydrophobicContact CD2-CG1 3.9Å; L261-V376 HydrophobicContact CD2-CG1 4.09Å; L261-F378 HydrophobicContact CD1-CZ 4.34Å; L261-F378 HydrophobicContact CD2-CZ 4.3Å; L261-F412 HydrophobicContact CB-CD1 3.89Å; L261-F412 HydrophobicContact CB-CE1 4.15Å; L261-F412 HydrophobicContact CB-CG 4.2Å; L261-F412 HydrophobicContact CD1-CD2 3.94Å; L261-F412 HydrophobicContact CD1-CE2 3.95Å; L261-F412 HydrophobicContact CD1-CG 4.23Å; L261-F412 HydrophobicContact CD1-CZ 4.24Å; L261-L414 HydrophobicContact CD1-CD2 3.62Å
262	F	93.6	Very high	95	Very high	3 Å²	3	17 Å²	17	1%	0.013	9%	0.094	C	C	.	.	S	Bend	trans	-98	-15	-167.3	-56.6	-48.9	0	0	0	115.7	D258 G260 E264 G265 I266 V267 I303 M374 V376 C462 L464	D258-F262 PolarHBondContact OD1-N 2.87Å; D258-F262 VanDerWaalsContact OD1-N 3.15Å; G260-F262 PolarHBondContact O-N 2.94Å; F262-E264 PolarHBondContact O-N 3.28Å; F262-E264 VanDerWaalsContact O-N 3.11Å; F262-G265 PolarHBondContact O-N 3.45Å; F262-I266 HydrophobicContact CD1-CG2 3.9Å; F262-V267 HydrophobicContact CD1-CG2 3.67Å; F262-V267 HydrophobicContact CE1-CG2 3.93Å; F262-V267 HydrophobicContact CG-CG2 4.41Å; F262-I303 HydrophobicContact CD2-CD1 4.46Å; F262-I303 HydrophobicContact CE2-CD1 3.63Å; F262-I303 HydrophobicContact CZ-CD1 3.84Å; F262-M374 HydrophobicContact CE2-CE 4.03Å; F262-M374 HydrophobicContact CE2-SD 3.94Å; F262-M374 HydrophobicContact CZ-CE 3.93Å; F262-M374 HydrophobicContact CZ-SD 4.34Å; F262-V376 HydrophobicContact CE1-CG1 4.13Å; F262-V376 HydrophobicContact CZ-CG1 4.17Å; F262-C462 CarbonylContact C-O 3.56Å; F262-C462 WeakPolarHBondContact CB-O 3.42Å; F262-L464 HydrophobicContact CD2-CB 4.13Å
263	G	88.8	Confident	95	Very high	17 Å²	17	17 Å²	17	18%	0.175	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.3	-169.4	0	0	0	0	0	115	D258 G265 Y463	D258-G263 WeakPolarHBondContact OD1-CA 3.44Å; D258-G263 PolarHBondContact OD1-N 3.27Å; G263-G265 VanDerWaalsContact C-N 3.32Å; G263-G265 PolarHBondContact O-N 2.89Å; G263-Y463 VanDerWaalsContact CA-CE1 3.47Å
264	E	90.4	Very high	95	Very high	77 Å²	77	17.5 Å²	17.5	36%	0.36	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	13.1	174.6	-75.1	-176.5	-168.8	0	0	114.1	T256 V257 D258 F262 I266	T256-E264 WeakPolarHBondContact CA-OE2 3.28Å; T256-E264 WeakPolarHBondContact O-CB 3.34Å; V257-E264 PolarHBondContact N-OE2 3.14Å; V257-E264 VanDerWaalsContact N-OE2 3.1Å; D258-E264 HydrophobicContact CB-CG 4.19Å; F262-E264 PolarHBondContact O-N 3.28Å; F262-E264 VanDerWaalsContact O-N 3.11Å; E264-I266 PolarHBondContact O-N 2.85Å
265	G	92.1	Very high	94.9	Very high	14 Å²	14	20.7 Å²	20.7	14%	0.144	11%	0.111	C	C	.	.			trans	73.5	29.1	171.7	0	0	0	0	0	114.5	F262 G263 V267 E268 S269	F262-G265 PolarHBondContact O-N 3.45Å; G263-G265 VanDerWaalsContact C-N 3.32Å; G263-G265 PolarHBondContact O-N 2.89Å; G265-V267 VanDerWaalsContact C-N 3.26Å; G265-V267 PolarHBondContact O-N 3.48Å; G265-E268 PolarHBondContact O-N 3.47Å; G265-S269 WeakPolarHBondContact O-CB 3.48Å; G265-S269 PolarHBondContact O-N 2.75Å; G265-S269 VanDerWaalsContact O-N 3.1Å; G265-S269 PolarHBondContact O-OG 3.22Å
266	I	95.6	Very high	95	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56.2	-39.3	177.7	-172.4	166.3	0	0	0	112.4	T254 T256 V257 F262 E264 L270 F378	T254-I266 HydrophobicContact CG2-CD1 3.88Å; T254-I266 HydrophobicContact CG2-CG1 4.15Å; T256-I266 WeakPolarHBondContact O-CB 2.79Å; V257-I266 HydrophobicContact CG1-CD1 3.58Å; F262-I266 HydrophobicContact CD1-CG2 3.9Å; E264-I266 PolarHBondContact O-N 2.85Å; I266-L270 HydrophobicContact CD1-CD1 4.26Å; I266-L270 HydrophobicContact CG1-CD1 3.74Å; I266-L270 HydrophobicContact CG1-CG 4.13Å; I266-L270 WeakPolarHBondContact O-CB 3.26Å; I266-L270 VanDerWaalsContact O-CG 3.25Å; I266-L270 WeakPolarHBondContact O-CG 3.44Å; I266-L270 PolarHBondContact O-N 3.25Å; I266-F378 HydrophobicContact CD1-CE1 3.99Å; I266-F378 HydrophobicContact CD1-CE2 4.22Å; I266-F378 HydrophobicContact CD1-CZ 3.81Å; I266-F378 HydrophobicContact CG1-CE1 4.23Å; I266-F378 HydrophobicContact CG2-CE1 4.32Å
267	V	94.9	Very high	95.3	Very high	10 Å²	10	23.3 Å²	23.3	6%	0.061	12%	0.121	C	C	.	.	H	α-helix	trans	-64.3	-49.9	-176.9	177.6	0	0	0	0	110.8	F262 G265 L270 I271 L384 L387	F262-V267 HydrophobicContact CD1-CG2 3.67Å; F262-V267 HydrophobicContact CE1-CG2 3.93Å; F262-V267 HydrophobicContact CG-CG2 4.41Å; G265-V267 VanDerWaalsContact C-N 3.26Å; G265-V267 PolarHBondContact O-N 3.48Å; V267-L270 PolarHBondContact O-N 3.24Å; V267-I271 HydrophobicContact CG1-CD1 3.89Å; V267-I271 VanDerWaalsContact O-CG1 3.29Å; V267-I271 WeakPolarHBondContact O-CG1 3.29Å; V267-I271 PolarHBondContact O-N 3.21Å; V267-L384 HydrophobicContact CG1-CB 4.4Å; V267-L384 HydrophobicContact CG1-CD2 4.41Å; V267-L387 HydrophobicContact CG1-CD1 4.2Å; V267-L387 HydrophobicContact CG2-CD1 4.04Å
268	E	94.4	Very high	95.4	Very high	101 Å²	101	23.3 Å²	23.3	47%	0.472	12%	0.121	S	C	.	.	H	α-helix	trans	-64.2	-44.6	180	-59.4	-176.2	123.7	0	0	111.4	G265 L270 I271 H272 C462	G265-E268 PolarHBondContact O-N 3.47Å; E268-L270 VanDerWaalsContact C-N 3.31Å; E268-L270 PolarHBondContact O-N 3.24Å; E268-I271 PolarHBondContact O-N 3.25Å; E268-H272 PolarHBondContact O-N 3.07Å; E268-C462 VanDerWaalsContact CG-SG 3.59Å
269	S	96.9	Very high	95.6	Very high	14 Å²	14	25.1 Å²	25.1	10%	0.098	13%	0.131	C	C	.	.	H	α-helix	trans	-57.1	-43.8	176.2	-71.9	0	0	0	0	111.9	S236 G265 A273	S236-S269 PolarHBondContact OG-OG 3.09Å; G265-S269 WeakPolarHBondContact O-CB 3.48Å; G265-S269 PolarHBondContact O-N 2.75Å; G265-S269 VanDerWaalsContact O-N 3.1Å; G265-S269 PolarHBondContact O-OG 3.22Å; S269-A273 VanDerWaalsContact O-CB 3.32Å; S269-A273 WeakPolarHBondContact O-CB 3.04Å; S269-A273 PolarHBondContact O-N 3.43Å
270	L	97.8	Very high	95.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-76.2	-34.1	-179.8	-69.5	-179.7	0	0	0	113.3	V252 T254 I266 V267 E268 H272 A273 W274 V296 F378 L384	V252-L270 HydrophobicContact CG1-CD2 4Å; T254-L270 HydrophobicContact CG2-CD2 4.26Å; I266-L270 HydrophobicContact CD1-CD1 4.26Å; I266-L270 HydrophobicContact CG1-CD1 3.74Å; I266-L270 HydrophobicContact CG1-CG 4.13Å; I266-L270 WeakPolarHBondContact O-CB 3.26Å; I266-L270 VanDerWaalsContact O-CG 3.25Å; I266-L270 WeakPolarHBondContact O-CG 3.44Å; I266-L270 PolarHBondContact O-N 3.25Å; V267-L270 PolarHBondContact O-N 3.24Å; E268-L270 VanDerWaalsContact C-N 3.31Å; E268-L270 PolarHBondContact O-N 3.24Å; L270-H272 VanDerWaalsContact C-N 3.35Å; L270-A273 PolarHBondContact O-N 3.15Å; L270-W274 WeakPolarHBondContact O-CB 3.27Å; L270-W274 PolarHBondContact O-N 2.96Å; L270-V296 HydrophobicContact CD1-CG1 4.06Å; L270-V296 HydrophobicContact CD2-CG1 3.59Å; L270-V296 HydrophobicContact CD2-CG2 4.09Å; L270-V296 HydrophobicContact CG-CG1 4.5Å; L270-F378 HydrophobicContact CD1-CB 3.75Å; L270-F378 HydrophobicContact CD1-CD1 3.43Å; L270-F378 VanDerWaalsContact CD1-CD1 3.43Å; L270-F378 HydrophobicContact CD1-CE1 4.22Å; L270-F378 HydrophobicContact CD1-CG 3.73Å; L270-L384 HydrophobicContact CB-CD1 3.92Å
271	I	97.1	Very high	95.3	Very high	33 Å²	33	34 Å²	34	17%	0.169	18%	0.176	C	C	.	.	H	α-helix	trans	-57.7	-51.9	170.9	-72	167.7	0	0	0	109.3	V267 E268 A273 W274 E275 L381 L384 K385	V267-I271 HydrophobicContact CG1-CD1 3.89Å; V267-I271 VanDerWaalsContact O-CG1 3.29Å; V267-I271 WeakPolarHBondContact O-CG1 3.29Å; V267-I271 PolarHBondContact O-N 3.21Å; E268-I271 PolarHBondContact O-N 3.25Å; I271-A273 VanDerWaalsContact C-N 3.34Å; I271-A273 PolarHBondContact O-N 3.41Å; I271-W274 PolarHBondContact O-N 3.36Å; I271-E275 WeakPolarHBondContact O-CB 3.37Å; I271-E275 WeakPolarHBondContact O-CG 3.35Å; I271-E275 PolarHBondContact O-N 2.85Å; I271-L381 HydrophobicContact CB-CD1 4.32Å; I271-L381 HydrophobicContact CG1-CD1 4.24Å; I271-L381 HydrophobicContact CG2-CD1 4.13Å; I271-L384 HydrophobicContact CD1-CB 4.22Å; I271-L384 HydrophobicContact CG1-CB 3.76Å; I271-K385 HydrophobicContact CD1-CG 4.16Å; I271-K385 HydrophobicContact CG1-CG 4.28Å; I271-K385 HydrophobicContact CG2-CG 4.29Å
272	H	97.9	Very high	94.7	Very high	26 Å²	26	39.4 Å²	39.4	12%	0.12	20%	0.199	C	C	.	.	H	α-helix	trans	-60	-44.7	177.7	176.4	-97.5	0	0	0	111.8	S236 L237 E268 L270 W274 E275 H276	S236-H272 PolarHBondContact O-CE1 2.88Å; S236-H272 PolarHBondContact O-ND1 2.9Å; S236-H272 VanDerWaalsContact O-ND1 3.08Å; L237-H272 HydrophobicContact CD2-CB 3.43Å; L237-H272 VanDerWaalsContact CD2-CB 3.43Å; L237-H272 PolarHBondContact O-NE2 3.22Å; E268-H272 PolarHBondContact O-N 3.07Å; L270-H272 VanDerWaalsContact C-N 3.35Å; H272-W274 PolarHBondContact O-N 2.94Å; H272-E275 PolarHBondContact O-N 2.82Å; H272-H276 AromaticContact CD2-CE1 3.84Å; H272-H276 AromaticContact CD2-CG 3.93Å; H272-H276 AromaticContact CD2-ND1 3.16Å; H272-H276 PolarHBondContact CD2-ND1 2.85Å; H272-H276 AromaticContact CG-ND1 3.9Å; H272-H276 AromaticContact NE2-CG 3.75Å; H272-H276 AromaticContact NE2-ND1 3.47Å; H272-H276 PolarHBondContact NE2-ND1 3.28Å; H272-H276 WeakPolarHBondContact O-CB 3.31Å; H272-H276 PolarHBondContact O-N 3.31Å; H272-H276 PolarHBondContact O-ND1 3.35Å; H272-H276 VanDerWaalsContact O-ND1 3.16Å
273	A	98.4	Very high	93.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.225	C	C	.	.	I	π-helix	trans	-59.9	-46.8	178.6	0	0	0	0	0	111.8	I184 V252 S269 L270 I271 E275 L277 L278	I184-A273 HydrophobicContact CD1-CB 4.26Å; V252-A273 HydrophobicContact CG2-CB 4.25Å; S269-A273 VanDerWaalsContact O-CB 3.32Å; S269-A273 WeakPolarHBondContact O-CB 3.04Å; S269-A273 PolarHBondContact O-N 3.43Å; L270-A273 PolarHBondContact O-N 3.15Å; I271-A273 VanDerWaalsContact C-N 3.34Å; I271-A273 PolarHBondContact O-N 3.41Å; A273-E275 PolarHBondContact O-N 2.8Å; A273-L277 CarbonylContact O-C 3.57Å; A273-L277 WeakPolarHBondContact O-CA 3.44Å; A273-L277 PolarHBondContact O-N 3.23Å; A273-L278 HydrophobicContact CB-CD1 4.24Å; A273-L278 WeakPolarHBondContact O-CB 3.11Å; A273-L278 PolarHBondContact O-N 3.33Å
274	W	98.2	Very high	92.3	Very high	13 Å²	13	53.3 Å²	53.3	5%	0.049	26%	0.263	C	S	.	.	I	π-helix	trans	-61.7	-42.4	176.3	-84.9	116.1	0	0	0	113	R248 L270 I271 H272 L278 L279 P281 G294 V296 F378 N379 L381	R248-W274 PolarHBondContact NH1-O 3.4Å; L270-W274 WeakPolarHBondContact O-CB 3.27Å; L270-W274 PolarHBondContact O-N 2.96Å; I271-W274 PolarHBondContact O-N 3.36Å; H272-W274 PolarHBondContact O-N 2.94Å; W274-L278 HydrophobicContact CD2-CB 4.48Å; W274-L278 HydrophobicContact CD2-CD1 3.65Å; W274-L278 HydrophobicContact CE3-CB 3.94Å; W274-L278 HydrophobicContact CE3-CD1 3.88Å; W274-L278 HydrophobicContact CG-CD1 4.08Å; W274-L278 HydrophobicContact CH2-CD1 4.3Å; W274-L278 HydrophobicContact CZ2-CD1 4.07Å; W274-L278 HydrophobicContact CZ3-CB 4.23Å; W274-L278 HydrophobicContact CZ3-CD1 4.21Å; W274-L279 WeakPolarHBondContact CZ3-O 3.41Å; W274-P281 HydrophobicContact CH2-CB 4.05Å; W274-P281 HydrophobicContact CZ3-CB 3.83Å; W274-P281 HydrophobicContact CZ3-CG 4.35Å; W274-G294 WeakPolarHBondContact CH2-O 3.22Å; W274-V296 HydrophobicContact CZ2-CG2 3.67Å; W274-F378 PolarHBondContact NE1-O 3.37Å; W274-N379 HydrophobicContact CZ2-CB 4.01Å; W274-L381 HydrophobicContact CB-CB 4.27Å; W274-L381 HydrophobicContact CB-CD1 3.87Å; W274-L381 HydrophobicContact CB-CD2 4.16Å; W274-L381 HydrophobicContact CB-CG 4.31Å; W274-L381 HydrophobicContact CG-CB 4.38Å
275	E	97.6	Very high	90.7	Very high	69 Å²	69	53.6 Å²	53.6	32%	0.322	29%	0.286	S	S	.	.	I	π-helix	trans	-69.7	-39.7	-178.5	-73.4	-174.8	145.5	0	0	112.8	R248 I271 H272 A273 L381 K385	R248-E275 PolarHBondContact NH1-O 3.03Å; R248-E275 VanDerWaalsContact NH1-O 3.14Å; R248-E275 PolarHBondContact NH2-O 3.15Å; I271-E275 WeakPolarHBondContact O-CB 3.37Å; I271-E275 WeakPolarHBondContact O-CG 3.35Å; I271-E275 PolarHBondContact O-N 2.85Å; H272-E275 PolarHBondContact O-N 2.82Å; A273-E275 PolarHBondContact O-N 2.8Å; E275-L381 HydrophobicContact CG-CD1 4.34Å; E275-L381 HydrophobicContact CG-CD2 4.05Å; E275-K385 WeakPolarHBondContact OE1-CE 3.19Å; E275-K385 IonicContact OE1-NZ 3.48Å; E275-K385 PolarHBondContact OE1-NZ 3.35Å
276	H	98.1	Very high	88.9	Confident	87 Å²	87	59.4 Å²	59.4	40%	0.403	31%	0.31	S	S	.	.	I	π-helix	trans	-118.8	-33.7	-165.4	-55.2	97.3	0	0	0	114.2	I241 R248 H272	I241-H276 WeakPolarHBondContact CD1-O 3.39Å; R248-H276 VanDerWaalsContact CZ-O 3.29Å; R248-H276 PolarHBondContact NE-O 2.77Å; R248-H276 PolarHBondContact NH2-O 3.3Å; H272-H276 AromaticContact CD2-CE1 3.84Å; H272-H276 AromaticContact CD2-CG 3.93Å; H272-H276 AromaticContact CD2-ND1 3.16Å; H272-H276 PolarHBondContact CD2-ND1 2.85Å; H272-H276 AromaticContact CG-ND1 3.9Å; H272-H276 AromaticContact NE2-CG 3.75Å; H272-H276 AromaticContact NE2-ND1 3.47Å; H272-H276 PolarHBondContact NE2-ND1 3.28Å; H272-H276 WeakPolarHBondContact O-CB 3.31Å; H272-H276 PolarHBondContact O-N 3.31Å; H272-H276 PolarHBondContact O-ND1 3.35Å; H272-H276 VanDerWaalsContact O-ND1 3.16Å
277	L	98.3	Very high	86.7	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	35%	0.348	C	S	.	.	I	π-helix	trans	-111.9	-31.8	-163.9	-50.2	-179.1	0	0	0	114.4	L182 I239 I241 I245 R248 V249 A273	L182-L277 HydrophobicContact CD2-CB 4.3Å; L182-L277 HydrophobicContact CD2-CD1 3.65Å; I239-L277 HydrophobicContact CB-CD1 4.02Å; I239-L277 HydrophobicContact CB-CD2 4.06Å; I239-L277 HydrophobicContact CD1-CD1 4.38Å; I239-L277 HydrophobicContact CG2-CD1 4.18Å; I239-L277 HydrophobicContact CG2-CD2 3.69Å; I241-L277 HydrophobicContact CD1-CD2 4.33Å; I241-L277 HydrophobicContact CG1-CD2 4.18Å; I245-L277 HydrophobicContact CD1-CD2 4.07Å; R248-L277 CarbonylContact C-O 3.43Å; R248-L277 WeakPolarHBondContact CA-O 3.38Å; R248-L277 VanDerWaalsContact CB-O 3.28Å; R248-L277 WeakPolarHBondContact CB-O 3.42Å; V249-L277 PolarHBondContact N-O 3.03Å; A273-L277 CarbonylContact O-C 3.57Å; A273-L277 WeakPolarHBondContact O-CA 3.44Å; A273-L277 PolarHBondContact O-N 3.23Å
278	L	97.6	Very high	84.3	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-89.1	148	-178.6	-85.7	163.1	0	0	0	111.8	R248 V249 V252 A273 W274 V296	R248-L278 VanDerWaalsContact CD-O 3.29Å; R248-L278 WeakPolarHBondContact CD-O 3.38Å; R248-L278 PolarHBondContact NH1-O 2.71Å; V249-L278 HydrophobicContact CG2-CD2 4.07Å; V249-L278 HydrophobicContact CG2-CG 4.48Å; V252-L278 HydrophobicContact CB-CD1 4.18Å; V252-L278 HydrophobicContact CB-CD2 4.19Å; V252-L278 HydrophobicContact CB-CG 4.36Å; V252-L278 HydrophobicContact CG2-CD1 3.79Å; V252-L278 HydrophobicContact CG2-CD2 3.67Å; V252-L278 HydrophobicContact CG2-CG 3.57Å; A273-L278 HydrophobicContact CB-CD1 4.24Å; A273-L278 WeakPolarHBondContact O-CB 3.11Å; A273-L278 PolarHBondContact O-N 3.33Å; W274-L278 HydrophobicContact CD2-CB 4.48Å; W274-L278 HydrophobicContact CD2-CD1 3.65Å; W274-L278 HydrophobicContact CE3-CB 3.94Å; W274-L278 HydrophobicContact CE3-CD1 3.88Å; W274-L278 HydrophobicContact CG-CD1 4.08Å; W274-L278 HydrophobicContact CH2-CD1 4.3Å; W274-L278 HydrophobicContact CZ2-CD1 4.07Å; W274-L278 HydrophobicContact CZ3-CB 4.23Å; W274-L278 HydrophobicContact CZ3-CD1 4.21Å; L278-V296 HydrophobicContact CD1-CG2 3.72Å
279	L	96.9	Very high	82.2	Confident	53 Å²	53	71.5 Å²	71.5	28%	0.277	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-59.1	159	162.8	-68.2	175.2	0	0	0	110.9	R248 V249 W274 G294	R248-L279 HydrophobicContact CB-CD2 3.9Å; R248-L279 HydrophobicContact CB-CG 4.27Å; V249-L279 WeakPolarHBondContact O-CG 3.37Å; V249-L279 PolarHBondContact O-N 3.04Å; W274-L279 WeakPolarHBondContact CZ3-O 3.41Å; L279-G294 WeakPolarHBondContact O-CA 3.33Å; L279-G294 PolarHBondContact O-N 3.48Å
280	Q	92.1	Very high	80.1	Confident	137 Å²	137	72.8 Å²	72.8	64%	0.64	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-57.4	146.4	179	-69.7	-66	-30.7	0	0	111.4	Y293 G294	Q280-Y293 CarbonylContact O-C 3.6Å; Q280-Y293 WeakPolarHBondContact O-CA 3.07Å; Q280-Y293 WeakPolarHBondContact O-CB 3.31Å; Q280-G294 PolarHBondContact O-N 2.75Å
281	P	88.7	Confident	78.2	Confident	58 Å²	58	78.5 Å²	78.5	38%	0.377	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-67.5	160.4	177.9	29	-34.6	0	0	0	111.2	W274 T283	W274-P281 HydrophobicContact CH2-CB 4.05Å; W274-P281 HydrophobicContact CZ3-CB 3.83Å; W274-P281 HydrophobicContact CZ3-CG 4.35Å; P281-T283 PolarHBondContact O-N 3.46Å
282	K	82.4	Confident	77.2	Confident	115 Å²	115	85.3 Å²	85.3	50%	0.5	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-60.4	123.3	-178.3	-172.8	177.1	-178.9	176.9	0	111.4	Y293	K282-Y293 HydrophobicContact CB-CD1 4.27Å; K282-Y293 HydrophobicContact CB-CD2 3.94Å; K282-Y293 HydrophobicContact CB-CE2 4.25Å; K282-Y293 HydrophobicContact CB-CG 3.96Å; K282-Y293 HydrophobicContact CD-CE1 4.14Å; K282-Y293 HydrophobicContact CD-CE2 4.49Å; K282-Y293 HydrophobicContact CG-CD1 4.31Å; K282-Y293 HydrophobicContact CG-CE1 4.36Å; K282-Y293 HydrophobicContact CG-CG 4.49Å
283	T	75.6	Confident	76.8	Confident	91 Å²	91	87.1 Å²	87.1	56%	0.558	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-80.9	136.4	175.8	-23.2	0	0	0	0	110.5	P281 G285	P281-T283 PolarHBondContact O-N 3.46Å; T283-G285 PolarHBondContact O-N 3.22Å
284	K	57.8	Low	76.7	Confident	220 Å²	220	87.3 Å²	87.3	96%	0.957	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	108.1	177.8	-75.9	-176.3	178.2	177	0	110.1
285	G	56.5	Low	76.6	Confident	83 Å²	83	89 Å²	89	86%	0.856	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	131.5	-8.4	172.5	0	0	0	0	0	116.5	T283	T283-G285 PolarHBondContact O-N 3.22Å
286	E	54.1	Low	76.7	Confident	137 Å²	137	85.7 Å²	85.7	64%	0.64	46%	0.457	S	S	*	.			trans	-87.2	128.2	178.1	-66	-172.2	157.3	0	0	112.1
287	S	49.3	Very low	76.7	Confident	114 Å²	114	81.6 Å²	81.6	80%	0.797	44%	0.438	S	S	*	.			trans	-70.6	146.9	176.5	56.5	0	0	0	0	112.3	N289	S287-N289 VanDerWaalsContact C-N 3.35Å; S287-N289 PolarHBondContact O-N 3.24Å
288	C	45.4	Very low	76.7	Confident	106 Å²	106	81.6 Å²	81.6	72%	0.716	44%	0.438	S	S	*	.	S	Bend	trans	-45.9	68.6	-172.4	-55.7	0	0	0	0	118.3
289	N	49.5	Very low	76.7	Confident	145 Å²	145	82.3 Å²	82.3	78%	0.775	44%	0.444	S	S	*	.			trans	-107.4	93.6	152.1	-92	-5.8	0	0	0	108.1	S287 E291	S287-N289 VanDerWaalsContact C-N 3.35Å; S287-N289 PolarHBondContact O-N 3.24Å; N289-E291 PolarHBondContact O-N 2.61Å
290	C	53.3	Low	76.8	Confident	40 Å²	40	81.5 Å²	81.5	27%	0.27	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	11.9	-170	-56.8	0	0	0	0	115.5	L176	L176-C290 WeakPolarHBondContact O-CB 3.27Å
291	E	56.3	Low	77.1	Confident	121 Å²	121	75 Å²	75	57%	0.565	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-1.1	-173.1	-66.1	-171.5	153.7	0	0	114.4	R179 N289	R179-E291 IonicContact NH1-OE1 3.74Å; N289-E291 PolarHBondContact O-N 2.61Å
292	K	76.6	Confident	77.5	Confident	176 Å²	176	74 Å²	74	77%	0.765	41%	0.405	S	S	*	.	S	Bend	trans	-131.9	21.2	-166	-66.1	-166.8	179.1	-175.3	0	117.1
293	Y	90.8	Very high	78.3	Confident	64 Å²	64	68.6 Å²	68.6	25%	0.251	38%	0.382	S	S	.	.	S	Bend	trans	-136	155.4	172.9	64.1	-94.5	0	0	0	111.8	Q280 K282	Q280-Y293 CarbonylContact O-C 3.6Å; Q280-Y293 WeakPolarHBondContact O-CA 3.07Å; Q280-Y293 WeakPolarHBondContact O-CB 3.31Å; K282-Y293 HydrophobicContact CB-CD1 4.27Å; K282-Y293 HydrophobicContact CB-CD2 3.94Å; K282-Y293 HydrophobicContact CB-CE2 4.25Å; K282-Y293 HydrophobicContact CB-CG 3.96Å; K282-Y293 HydrophobicContact CD-CE1 4.14Å; K282-Y293 HydrophobicContact CD-CE2 4.49Å; K282-Y293 HydrophobicContact CG-CD1 4.31Å; K282-Y293 HydrophobicContact CG-CE1 4.36Å; K282-Y293 HydrophobicContact CG-CG 4.49Å
294	G	95.3	Very high	79.4	Confident	3 Å²	3	66.4 Å²	66.4	3%	0.031	37%	0.365	C	S	.	.			trans	-79.6	145.8	176.7	0	0	0	0	0	111.3	W274 L279 Q280	W274-G294 WeakPolarHBondContact CH2-O 3.22Å; L279-G294 WeakPolarHBondContact O-CA 3.33Å; L279-G294 PolarHBondContact O-N 3.48Å; Q280-G294 PolarHBondContact O-N 2.75Å
295	K	96.6	Very high	81.3	Confident	49 Å²	49	56 Å²	56	21%	0.213	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	152.1	171.6	178.4	167.2	174.7	162.9	0	110	S250 L251 V252 N379	S250-K295 PolarHBondContact O-N 2.89Å; L251-K295 CarbonylContact C-O 3.53Å; L251-K295 VanDerWaalsContact CA-O 3.32Å; L251-K295 WeakPolarHBondContact CA-O 3.29Å; L251-K295 HydrophobicContact CD1-CB 4.33Å; L251-K295 HydrophobicContact CD1-CG 4.34Å; V252-K295 PolarHBondContact N-O 3.21Å; K295-N379 WeakPolarHBondContact CA-OD1 3.48Å
296	V	98.5	Very high	83.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	142	171.8	-175.2	0	0	0	0	110.3	V252 L270 W274 L278 P298 F378 N379	V252-V296 HydrophobicContact CB-CG2 4.39Å; V252-V296 HydrophobicContact CG1-CG1 4.48Å; V252-V296 CarbonylContact O-C 3.43Å; V252-V296 WeakPolarHBondContact O-CA 3.48Å; L270-V296 HydrophobicContact CD1-CG1 4.06Å; L270-V296 HydrophobicContact CD2-CG1 3.59Å; L270-V296 HydrophobicContact CD2-CG2 4.09Å; L270-V296 HydrophobicContact CG-CG1 4.5Å; W274-V296 HydrophobicContact CZ2-CG2 3.67Å; L278-V296 HydrophobicContact CD1-CG2 3.72Å; V296-P298 CarbonylContact C-O 3.35Å; V296-P298 WeakPolarHBondContact CG1-O 2.98Å; V296-P298 CarbonylContact O-C 3.57Å; V296-F378 HydrophobicContact CG1-CB 4.24Å; V296-N379 PolarHBondContact N-OD1 2.85Å
297	I	98.6	Very high	85.4	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.1	162.1	-66.6	174.1	0	0	0	107.3	Y166 A169 I170 A173 L251 V252 V253 T254 L416	Y166-I297 HydrophobicContact CD1-CG2 4.43Å; Y166-I297 HydrophobicContact CE1-CG2 4.13Å; A169-I297 HydrophobicContact CB-CD1 4.45Å; I170-I297 HydrophobicContact CG1-CD1 4.43Å; A173-I297 HydrophobicContact CB-CD1 3.98Å; L251-I297 HydrophobicContact CD1-CD1 3.98Å; L251-I297 HydrophobicContact CD1-CG1 3.94Å; L251-I297 HydrophobicContact CD2-CD1 4.41Å; V252-I297 PolarHBondContact O-N 3.47Å; V253-I297 CarbonylContact C-O 3.58Å; V253-I297 WeakPolarHBondContact CA-O 3.5Å; V253-I297 HydrophobicContact CG1-CB 4.48Å; V253-I297 HydrophobicContact CG1-CG2 4.43Å; V253-I297 HydrophobicContact CG2-CB 4.41Å; T254-I297 PolarHBondContact N-O 2.71Å; I297-L416 HydrophobicContact CG2-CB 4.12Å; I297-L416 HydrophobicContact CG2-CD2 4.18Å
298	P	98.4	Very high	87.8	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	S	Bend	cis	-61.6	151	-1.7	-21.6	33	0	0	0	113.7	T254 V296 F378 L414 L416	T254-P298 WeakPolarHBondContact O-CD 2.97Å; V296-P298 CarbonylContact C-O 3.35Å; V296-P298 WeakPolarHBondContact CG1-O 2.98Å; V296-P298 CarbonylContact O-C 3.57Å; P298-F378 HydrophobicContact CB-CD2 4.11Å; P298-F378 HydrophobicContact CB-CE2 4.27Å; P298-L414 HydrophobicContact CB-CB 4.27Å; P298-L414 HydrophobicContact CB-CD2 4.19Å; P298-L414 HydrophobicContact CG-CB 4.34Å; P298-L414 HydrophobicContact CG-CD1 3.89Å; P298-L414 HydrophobicContact CG-CD2 4.06Å; P298-L414 HydrophobicContact CG-CG 4.32Å; P298-L416 HydrophobicContact CB-CD2 3.86Å; P298-L416 HydrophobicContact CG-CD2 3.8Å
299	A	98.2	Very high	90.3	Very high	16 Å²	16	38.4 Å²	38.4	13%	0.132	19%	0.192	C	C	.	.			trans	-79.3	-40	179.1	0	0	0	0	0	112.4	F378 N379 Q415	A299-F378 WeakPolarHBondContact O-CB 3.29Å; A299-F378 PolarHBondContact O-N 3.45Å; A299-N379 VanDerWaalsContact CA-ND2 3.34Å; A299-N379 WeakPolarHBondContact CA-ND2 3.24Å; A299-N379 PolarHBondContact O-ND2 2.92Å; A299-N379 VanDerWaalsContact O-ND2 3.14Å; A299-Q415 WeakPolarHBondContact CA-O 3.35Å; A299-Q415 WeakPolarHBondContact CB-O 3.48Å; A299-Q415 PolarHBondContact N-O 2.68Å
300	S	98.3	Very high	92.6	Very high	36 Å²	36	31.5 Å²	31.5	25%	0.252	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	172.7	177.2	62.2	0	0	0	0	110.9	V376 Q415	S300-V376 CarbonylContact C-O 3.58Å; S300-V376 WeakPolarHBondContact CA-O 3.29Å; S300-V376 WeakPolarHBondContact CB-O 3.44Å; S300-Q415 PolarHBondContact N-O 3.08Å; S300-Q415 PolarHBondContact O-N 3.33Å; S300-Q415 WeakPolarHBondContact OG-CB 3.37Å
301	A	98.3	Very high	94.7	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	154.7	170.6	0	0	0	0	0	112.2	L261 T375 V376 F378 V413 L414	L261-A301 HydrophobicContact CD1-CB 4.27Å; L261-A301 HydrophobicContact CD2-CB 3.56Å; A301-T375 WeakPolarHBondContact O-CA 3.38Å; A301-V376 HydrophobicContact CB-CG1 3.79Å; A301-V376 PolarHBondContact N-O 2.83Å; A301-V376 PolarHBondContact O-N 3.36Å; A301-F378 HydrophobicContact CB-CE2 3.87Å; A301-F378 HydrophobicContact CB-CZ 4.18Å; A301-V413 CarbonylContact C-O 3.51Å; A301-V413 VanDerWaalsContact CA-O 3.23Å; A301-V413 WeakPolarHBondContact CA-O 3.28Å; A301-L414 HydrophobicContact CB-CD2 3.8Å
302	V	98.4	Very high	96.6	Very high	35 Å²	35	27.4 Å²	27.4	21%	0.212	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.7	171	-169.8	0	0	0	0	108.4	F304 E372 T375 F412 V413	V302-F304 HydrophobicContact CB-CE2 3.79Å; V302-F304 HydrophobicContact CB-CZ 4Å; V302-F304 HydrophobicContact CG1-CD2 4.37Å; V302-F304 HydrophobicContact CG1-CE1 4.04Å; V302-F304 HydrophobicContact CG1-CE2 3.65Å; V302-F304 HydrophobicContact CG1-CZ 3.46Å; V302-F304 VanDerWaalsContact CG1-CZ 3.46Å; V302-E372 HydrophobicContact CG1-CG 3.8Å; V302-T375 HydrophobicContact CB-CG2 4.34Å; V302-T375 HydrophobicContact CG1-CG2 3.92Å; V302-T375 HydrophobicContact CG2-CG2 4.01Å; V302-F412 CarbonylContact O-C 3.51Å; V302-F412 WeakPolarHBondContact O-CA 3.24Å; V302-F412 WeakPolarHBondContact O-CB 3.31Å; V302-V413 PolarHBondContact N-O 3.14Å; V302-V413 PolarHBondContact O-N 2.91Å
303	I	98.4	Very high	97.6	Very high	2 Å²	2	19 Å²	19	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	133.8	177.7	-60.3	167.7	0	0	0	108.7	L261 F262 I373 M374 V410 F412 L464	L261-I303 HydrophobicContact CB-CD1 4.44Å; L261-I303 HydrophobicContact CD2-CD1 3.87Å; L261-I303 HydrophobicContact CD2-CG1 3.9Å; F262-I303 HydrophobicContact CD2-CD1 4.46Å; F262-I303 HydrophobicContact CE2-CD1 3.63Å; F262-I303 HydrophobicContact CZ-CD1 3.84Å; I303-I373 HydrophobicContact CB-CB 4.31Å; I303-I373 HydrophobicContact CG2-CB 4.02Å; I303-I373 HydrophobicContact CG2-CD1 4.07Å; I303-I373 HydrophobicContact CG2-CG2 4.37Å; I303-I373 PolarHBondContact O-N 2.84Å; I303-M374 HydrophobicContact CB-CG 4.23Å; I303-M374 HydrophobicContact CD1-CG 3.7Å; I303-M374 HydrophobicContact CD1-SD 4.03Å; I303-M374 HydrophobicContact CG1-CG 4.34Å; I303-M374 PolarHBondContact N-O 3.49Å; I303-V410 HydrophobicContact CG2-CG1 3.56Å; I303-F412 HydrophobicContact CG1-CB 4.16Å; I303-L464 HydrophobicContact CD1-CD1 4.42Å; I303-L464 HydrophobicContact CD1-CD2 4.25Å; I303-L464 HydrophobicContact CG2-CD2 3.84Å
304	F	98.6	Very high	97.9	Very high	46 Å²	46	18.7 Å²	18.7	20%	0.202	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	150.7	-179.8	-64.1	-82.7	0	0	0	111.4	V302 C370 F371 V410 W411 V413	V302-F304 HydrophobicContact CB-CE2 3.79Å; V302-F304 HydrophobicContact CB-CZ 4Å; V302-F304 HydrophobicContact CG1-CD2 4.37Å; V302-F304 HydrophobicContact CG1-CE1 4.04Å; V302-F304 HydrophobicContact CG1-CE2 3.65Å; V302-F304 HydrophobicContact CG1-CZ 3.46Å; V302-F304 VanDerWaalsContact CG1-CZ 3.46Å; F304-C370 VanDerWaalsContact CD1-SG 3.55Å; F304-F371 CarbonylContact C-O 3.53Å; F304-F371 VanDerWaalsContact CA-O 3.26Å; F304-F371 WeakPolarHBondContact CA-O 3.47Å; F304-V410 VanDerWaalsContact O-CA 3.32Å; F304-V410 WeakPolarHBondContact O-CA 3.45Å; F304-V410 WeakPolarHBondContact O-CG1 3.47Å; F304-W411 HydrophobicContact CB-CD2 4.05Å; F304-W411 HydrophobicContact CB-CG 4.46Å; F304-W411 HydrophobicContact CB-CH2 4.36Å; F304-W411 HydrophobicContact CB-CZ2 3.78Å; F304-W411 AromaticContact CD2-NE1 3.9Å; F304-W411 PolarHBondContact N-O 2.92Å; F304-W411 PolarHBondContact O-N 3.08Å; F304-W411 VanDerWaalsContact O-N 3.08Å; F304-V413 HydrophobicContact CD2-CG2 4.21Å; F304-V413 HydrophobicContact CE2-CB 4.18Å; F304-V413 HydrophobicContact CE2-CG2 3.68Å
305	G	98.3	Very high	97.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	158.4	176.2	0	0	0	0	0	112.9	F371 M409	G305-F371 PolarHBondContact N-O 3.21Å; G305-F371 WeakPolarHBondContact O-CD1 3.4Å; G305-F371 WeakPolarHBondContact O-CE1 3.3Å; G305-F371 PolarHBondContact O-N 3.1Å; G305-M409 CarbonylContact C-O 3.58Å; G305-M409 WeakPolarHBondContact CA-O 3.33Å
306	M	98.6	Very high	97.8	Very high	27 Å²	27	19.1 Å²	19.1	13%	0.133	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	130.7	170.2	-179.7	179.3	-75.5	0	0	109.7	V308 A366 C370 M409 W411	M306-V308 HydrophobicContact CB-CG1 4.47Å; M306-V308 HydrophobicContact CG-CG1 3.92Å; M306-V308 HydrophobicContact SD-CG1 4.14Å; M306-A366 HydrophobicContact CE-CB 4.17Å; M306-A366 HydrophobicContact CG-CB 4.26Å; M306-A366 HydrophobicContact SD-CB 3.45Å; M306-A366 WeakPolarHBondContact SD-CB 3.27Å; M306-C370 HydrophobicContact CE-CB 4.34Å; M306-M409 HydrophobicContact CB-CE 4.23Å; M306-M409 PolarHBondContact N-O 2.84Å; M306-M409 PolarHBondContact O-N 2.87Å; M306-M409 HydrophobicContact SD-CE 3.98Å; M306-W411 HydrophobicContact CB-CH2 3.99Å; M306-W411 HydrophobicContact CB-CZ3 3.81Å; M306-W411 HydrophobicContact CE-CH2 4.27Å
307	A	98.5	Very high	97.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132.7	170.1	0	0	0	0	0	109.7	L367 T368 L405 I408 V453	A307-L367 PolarHBondContact O-N 2.96Å; A307-T368 HydrophobicContact CB-CG2 3.67Å; A307-T368 PolarHBondContact N-OG1 2.76Å; A307-L405 HydrophobicContact CB-CD1 3.8Å; A307-I408 HydrophobicContact CB-CD1 3.75Å; A307-V453 HydrophobicContact CB-CG2 4.43Å
308	V	98.6	Very high	97.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.7	-172.6	-60.8	0	0	0	0	112.9	M306 Y364 L365 D406 A407 M409	M306-V308 HydrophobicContact CB-CG1 4.47Å; M306-V308 HydrophobicContact CG-CG1 3.92Å; M306-V308 HydrophobicContact SD-CG1 4.14Å; V308-Y364 HydrophobicContact CB-CD2 4.37Å; V308-Y364 HydrophobicContact CG1-CD2 3.86Å; V308-Y364 HydrophobicContact CG1-CE2 4.41Å; V308-L365 CarbonylContact C-O 3.48Å; V308-L365 VanDerWaalsContact CA-O 3.27Å; V308-L365 WeakPolarHBondContact CA-O 3.27Å; V308-D406 PolarHBondContact O-N 3.03Å; V308-A407 HydrophobicContact CG2-CB 4.08Å; V308-A407 PolarHBondContact N-O 3.16Å; V308-A407 PolarHBondContact O-N 3.22Å; V308-M409 HydrophobicContact CG1-CB 4.17Å; V308-M409 HydrophobicContact CG1-CE 4.32Å; V308-M409 HydrophobicContact CG2-CB 4.29Å
309	E	98.7	Very high	97.1	Very high	44 Å²	44	22.2 Å²	22.2	21%	0.206	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.6	158.4	179.9	172.4	170.5	0	0	108.6	R314 Y364 L365 L367 G403 I404	E309-R314 IonicContact OE1-NH2 3.37Å; E309-R314 PolarHBondContact OE1-NH2 3.19Å; E309-Y364 CarbonylContact O-C 3.53Å; E309-Y364 VanDerWaalsContact O-CA 3.23Å; E309-Y364 WeakPolarHBondContact O-CA 3.28Å; E309-Y364 WeakPolarHBondContact O-CB 3.41Å; E309-L365 HydrophobicContact CB-CB 4.27Å; E309-L365 PolarHBondContact N-O 3.41Å; E309-L365 PolarHBondContact O-N 2.92Å; E309-L367 HydrophobicContact CB-CD1 4.2Å; E309-L367 HydrophobicContact CB-CD2 4.16Å; E309-L367 HydrophobicContact CB-CG 4.32Å; E309-G403 WeakPolarHBondContact OE2-CA 3.45Å; E309-I404 VanDerWaalsContact CA-O 3.25Å; E309-I404 WeakPolarHBondContact CA-O 3.19Å; E309-I404 WeakPolarHBondContact CB-O 3.45Å; E309-I404 HydrophobicContact CG-CB 4.28Å; E309-I404 WeakPolarHBondContact CG-O 3.39Å; E309-I404 PolarHBondContact OE2-N 2.82Å
310	C	98.1	Very high	96.7	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	14%	0.144	C	C	.	.			trans	-153.2	106.3	176.8	-172.2	0	0	0	0	110.1	E312 I313 R314 G363 D406	C310-E312 PolarHBondContact O-N 3.02Å; C310-I313 HydrophobicContact CB-CB 4.28Å; C310-I313 HydrophobicContact CB-CG1 3.98Å; C310-I313 PolarHBondContact O-N 2.68Å; C310-R314 PolarHBondContact O-N 3.29Å; C310-G363 PolarHBondContact SG-O 3.17Å; C310-D406 VanDerWaalsContact C-OD2 3.3Å; C310-D406 PolarHBondContact N-OD2 2.83Å
311	A	96.9	Very high	96.3	Very high	60 Å²	60	24.4 Å²	24.4	50%	0.496	14%	0.141	S	C	.	.	H	α-helix	trans	-63.7	-28.9	-177.4	0	0	0	0	0	113.2	R314 R315	A311-R314 WeakPolarHBondContact O-CB 3.47Å; A311-R314 PolarHBondContact O-N 3.04Å; A311-R315 PolarHBondContact O-N 3.19Å
312	E	96.8	Very high	96	Very high	14 Å²	14	31 Å²	31	7%	0.065	17%	0.169	C	C	.	.	H	α-helix	trans	-64.6	-46.5	175.6	-178.2	60.8	-156.5	0	0	111.7	C310 R315 Q316 V360 P361 K810	C310-E312 PolarHBondContact O-N 3.02Å; E312-R315 VanDerWaalsContact CD-NE 3.29Å; E312-R315 VanDerWaalsContact CD-NH2 3.32Å; E312-R315 VanDerWaalsContact O-CG 3.25Å; E312-R315 WeakPolarHBondContact O-CG 3.36Å; E312-R315 IonicContact OE1-CZ 2.69Å; E312-R315 VanDerWaalsContact OE1-CZ 3.31Å; E312-R315 IonicContact OE1-NE 3.34Å; E312-R315 PolarHBondContact OE1-NE 3.08Å; E312-R315 IonicContact OE1-NH2 3.95Å; E312-R315 PolarHBondContact OE1-NH2 3.02Å; E312-R315 IonicContact OE2-CZ 3.53Å; E312-R315 IonicContact OE2-NE 3.94Å; E312-R315 PolarHBondContact OE2-NE 2.97Å; E312-R315 IonicContact OE2-NH2 2.75Å; E312-R315 PolarHBondContact OE2-NH2 3.32Å; E312-Q316 WeakPolarHBondContact O-CG 3.48Å; E312-Q316 PolarHBondContact O-N 3.5Å; E312-Q316 PolarHBondContact OE1-NE2 2.99Å; E312-V360 HydrophobicContact CB-CG2 3.82Å; E312-V360 HydrophobicContact CG-CG2 3.77Å; E312-P361 HydrophobicContact CG-CB 4.31Å; E312-P361 HydrophobicContact CG-CG 4.37Å; E312-K810 IonicContact OE1-NZ 2.62Å
313	I	96.6	Very high	95.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.4	-43.1	173.7	-55.8	-56.8	0	0	0	110.1	C310 R315 Q316 H317 E355 A407 V436 P438	C310-I313 HydrophobicContact CB-CB 4.28Å; C310-I313 HydrophobicContact CB-CG1 3.98Å; C310-I313 PolarHBondContact O-N 2.68Å; I313-R315 PolarHBondContact O-N 2.9Å; I313-Q316 PolarHBondContact O-N 2.91Å; I313-H317 PolarHBondContact O-CD2 3.46Å; I313-H317 VanDerWaalsContact O-CD2 3.29Å; I313-H317 PolarHBondContact O-N 2.88Å; I313-H317 VanDerWaalsContact O-N 3.11Å; I313-E355 HydrophobicContact CD1-CG 3.8Å; I313-A407 HydrophobicContact CG2-CB 4.1Å; I313-V436 HydrophobicContact CD1-CG1 4.18Å; I313-V436 HydrophobicContact CG1-CG1 4.27Å; I313-V436 HydrophobicContact CG2-CG1 3.95Å; I313-P438 HydrophobicContact CG2-CB 4.39Å
314	R	96.6	Very high	95.7	Very high	58 Å²	58	34.6 Å²	34.6	22%	0.219	19%	0.187	C	C	.	.	H	α-helix	trans	-54.7	-49.6	178.6	-168.5	-169.4	-55.9	154.2	8.7	111.9	E309 C310 A311 Q316 H317 R318 D406	E309-R314 IonicContact OE1-NH2 3.37Å; E309-R314 PolarHBondContact OE1-NH2 3.19Å; C310-R314 PolarHBondContact O-N 3.29Å; A311-R314 WeakPolarHBondContact O-CB 3.47Å; A311-R314 PolarHBondContact O-N 3.04Å; R314-Q316 PolarHBondContact O-N 3.49Å; R314-H317 PolarHBondContact O-N 3.08Å; R314-R318 HydrophobicContact CG-CB 4.43Å; R314-R318 WeakPolarHBondContact O-CA 3.39Å; R314-R318 WeakPolarHBondContact O-CB 3.27Å; R314-R318 PolarHBondContact O-N 3.01Å; R314-D406 HydrophobicContact CB-CB 4.5Å; R314-D406 WeakPolarHBondContact CB-OD1 3.16Å; R314-D406 WeakPolarHBondContact CG-OD1 3.15Å; R314-D406 IonicContact CZ-OD1 2.7Å; R314-D406 IonicContact CZ-OD2 3.84Å; R314-D406 IonicContact NE-OD1 3.18Å; R314-D406 PolarHBondContact NE-OD1 3.42Å; R314-D406 IonicContact NE-OD2 3.58Å; R314-D406 PolarHBondContact NE-OD2 2.86Å; R314-D406 IonicContact NH2-OD1 3.31Å; R314-D406 IonicContact NH2-OD2 3.44Å; R314-D406 PolarHBondContact NH2-OD2 3.49Å
315	R	95.7	Very high	95.6	Very high	42 Å²	42	32.4 Å²	32.4	16%	0.158	18%	0.178	C	C	.	.	H	α-helix	trans	-69.2	-20.5	-175.9	73.4	174.8	-170.6	99.1	-1.6	113.4	A311 E312 I313 A526 N529 S807	A311-R315 PolarHBondContact O-N 3.19Å; E312-R315 VanDerWaalsContact CD-NE 3.29Å; E312-R315 VanDerWaalsContact CD-NH2 3.32Å; E312-R315 VanDerWaalsContact O-CG 3.25Å; E312-R315 WeakPolarHBondContact O-CG 3.36Å; E312-R315 IonicContact OE1-CZ 2.69Å; E312-R315 VanDerWaalsContact OE1-CZ 3.31Å; E312-R315 IonicContact OE1-NE 3.34Å; E312-R315 PolarHBondContact OE1-NE 3.08Å; E312-R315 IonicContact OE1-NH2 3.95Å; E312-R315 PolarHBondContact OE1-NH2 3.02Å; E312-R315 IonicContact OE2-CZ 3.53Å; E312-R315 IonicContact OE2-NE 3.94Å; E312-R315 PolarHBondContact OE2-NE 2.97Å; E312-R315 IonicContact OE2-NH2 2.75Å; E312-R315 PolarHBondContact OE2-NH2 3.32Å; I313-R315 PolarHBondContact O-N 2.9Å; R315-A526 VanDerWaalsContact O-CA 3.31Å; R315-A526 WeakPolarHBondContact O-CA 3.07Å; R315-A526 PolarHBondContact O-N 3.4Å; R315-N529 WeakPolarHBondContact CA-ND2 3.17Å; R315-N529 HydrophobicContact CB-CB 4.32Å; R315-N529 PolarHBondContact O-ND2 2.97Å; R315-S807 PolarHBondContact NH1-O 3.34Å; R315-S807 PolarHBondContact NH2-O 3.06Å
316	Q	94.6	Very high	95.3	Very high	18 Å²	18	34.8 Å²	34.8	8%	0.084	20%	0.202	C	C	.	.	H	α-helix	trans	-89.1	-22.3	177.8	-68.6	-179.4	16.3	0	0	112.7	E312 I313 R314 S522 I525 A526	E312-Q316 WeakPolarHBondContact O-CG 3.48Å; E312-Q316 PolarHBondContact O-N 3.5Å; E312-Q316 PolarHBondContact OE1-NE2 2.99Å; I313-Q316 PolarHBondContact O-N 2.91Å; R314-Q316 PolarHBondContact O-N 3.49Å; Q316-S522 VanDerWaalsContact O-CA 3.25Å; Q316-S522 WeakPolarHBondContact O-CA 3.19Å; Q316-I525 WeakPolarHBondContact O-CB 3.12Å; Q316-A526 HydrophobicContact CG-CB 4.49Å
317	H	93.9	Very high	95.2	Very high	5 Å²	5	33.5 Å²	33.5	2%	0.023	20%	0.196	C	C	.	.	H	α-helix	trans	-119.8	-9.2	-172.5	-70.6	-74.3	0	0	0	114.6	I313 R314 S337 P438 Q440 S522	I313-H317 PolarHBondContact O-CD2 3.46Å; I313-H317 VanDerWaalsContact O-CD2 3.29Å; I313-H317 PolarHBondContact O-N 2.88Å; I313-H317 VanDerWaalsContact O-N 3.11Å; R314-H317 PolarHBondContact O-N 3.08Å; H317-S337 VanDerWaalsContact ND1-CB 3.31Å; H317-S337 WeakPolarHBondContact ND1-CB 3.48Å; H317-S337 PolarHBondContact ND1-OG 3.43Å; H317-P438 HydrophobicContact CB-CB 3.7Å; H317-P438 HydrophobicContact CB-CG 4.22Å; H317-P438 WeakPolarHBondContact ND1-CG 3.42Å; H317-Q440 PolarHBondContact O-NE2 2.84Å; H317-S522 PolarHBondContact CE1-OG 2.88Å; H317-S522 VanDerWaalsContact CE1-OG 3.31Å
318	R	93.9	Very high	95.1	Very high	31 Å²	31	36.7 Å²	36.7	12%	0.117	21%	0.211	C	C	.	.	S	Bend	trans	-140.9	127.1	-177	-159.7	-173.2	-52.4	156.3	6.3	111.3	R314 G320 L405 D406 V439 Y445 N529	R314-R318 HydrophobicContact CG-CB 4.43Å; R314-R318 WeakPolarHBondContact O-CA 3.39Å; R314-R318 WeakPolarHBondContact O-CB 3.27Å; R314-R318 PolarHBondContact O-N 3.01Å; R318-G320 PolarHBondContact O-N 3.45Å; R318-L405 PolarHBondContact NH2-O 3.24Å; R318-D406 IonicContact CZ-OD1 2.66Å; R318-D406 IonicContact NH1-OD1 2.71Å; R318-D406 IonicContact NH2-OD1 3.3Å; R318-D406 PolarHBondContact NH2-OD1 2.97Å; R318-V439 PolarHBondContact NH2-O 2.89Å; R318-Y445 VanDerWaalsContact NH1-CD1 3.26Å; R318-Y445 VanDerWaalsContact NH2-CD1 3.3Å; R318-N529 PolarHBondContact O-ND2 2.69Å
319	V	94.1	Very high	95	Very high	30 Å²	30	37.3 Å²	37.3	18%	0.182	21%	0.214	C	C	.	.			trans	-73.7	111	170.6	-179.8	0	0	0	0	108.7	I321 L329 F335 I525 L528	V319-I321 HydrophobicContact CG1-CG1 4.07Å; V319-L329 HydrophobicContact CG1-CD1 4.01Å; V319-F335 HydrophobicContact CB-CB 4.44Å; V319-F335 HydrophobicContact CB-CD2 4.18Å; V319-F335 HydrophobicContact CG1-CD2 4.38Å; V319-F335 HydrophobicContact CG2-CB 3.64Å; V319-F335 HydrophobicContact CG2-CD2 3.77Å; V319-F335 HydrophobicContact CG2-CG 3.89Å; V319-I525 HydrophobicContact CG2-CG2 4.07Å; V319-L528 HydrophobicContact CG2-CB 4.4Å; V319-L528 HydrophobicContact CG2-CD1 3.87Å
320	G	88.8	Confident	94.7	Very high	63 Å²	63	35.7 Å²	35.7	65%	0.649	21%	0.207	S	C	*	.			trans	-89.5	1.1	-172.4	0	0	0	0	0	114.8	R318 N529	R318-G320 PolarHBondContact O-N 3.45Å; G320-N529 PolarHBondContact N-OD1 2.75Å
321	I	90.3	Very high	94.3	Very high	35 Å²	35	41.1 Å²	41.1	18%	0.179	24%	0.24	C	C	.	.			trans	-126.4	145.1	-170	63.2	-174.3	0	0	0	111.4	V319 I324 L329 L528 I531	V319-I321 HydrophobicContact CG1-CG1 4.07Å; I321-I324 HydrophobicContact CD1-CB 3.7Å; I321-I324 HydrophobicContact CD1-CD1 3.41Å; I321-I324 VanDerWaalsContact CD1-CD1 3.41Å; I321-I324 HydrophobicContact CD1-CG1 4.05Å; I321-I324 HydrophobicContact CD1-CG2 4.23Å; I321-L329 HydrophobicContact CG1-CD1 4.35Å; I321-L528 WeakPolarHBondContact CD1-O 3.19Å; I321-I531 HydrophobicContact CG2-CD1 4.31Å
322	K	92.4	Very high	94	Very high	141 Å²	141	40 Å²	40	61%	0.613	23%	0.226	S	C	*	.	S	Bend	trans	-102.3	-24.4	174.7	-65.3	-176.1	179.3	-178.7	0	113	H328 L329	K322-H328 PolarHBondContact O-ND1 3.41Å; K322-L329 PolarHBondContact O-N 3.3Å
323	D	95.3	Very high	93.8	Very high	107 Å²	107	39.7 Å²	39.7	57%	0.572	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.7	132.9	-179.8	-59.8	-79.1	0	0	0	108.5	I327 H328	D323-I327 CarbonylContact C-O 3.57Å; D323-I327 VanDerWaalsContact CA-O 3.28Å; D323-I327 WeakPolarHBondContact CA-O 3.31Å; D323-H328 WeakPolarHBondContact OD1-CA 3.47Å; D323-H328 WeakPolarHBondContact OD1-CB 3.4Å; D323-H328 IonicContact OD1-CG 3.55Å; D323-H328 IonicContact OD1-ND1 2.87Å; D323-H328 PolarHBondContact OD1-ND1 3.03Å; D323-H328 IonicContact OD2-ND1 3.92Å
324	I	95.5	Very high	93.5	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	127.7	-180	-176.3	158.1	0	0	0	110.9	I321 G326 I327 L329 L528 I531 H534 I593	I321-I324 HydrophobicContact CD1-CB 3.7Å; I321-I324 HydrophobicContact CD1-CD1 3.41Å; I321-I324 VanDerWaalsContact CD1-CD1 3.41Å; I321-I324 HydrophobicContact CD1-CG1 4.05Å; I321-I324 HydrophobicContact CD1-CG2 4.23Å; I324-G326 PolarHBondContact O-N 3.29Å; I324-I327 PolarHBondContact N-O 2.88Å; I324-I327 WeakPolarHBondContact O-CB 3.48Å; I324-I327 PolarHBondContact O-N 3.14Å; I324-L329 HydrophobicContact CG2-CD1 4.41Å; I324-L329 HydrophobicContact CG2-CG 4.48Å; I324-L528 WeakPolarHBondContact CD1-O 2.87Å; I324-I531 HydrophobicContact CD1-CG1 4.41Å; I324-H534 HydrophobicContact CD1-CB 3.75Å; I324-H534 VanDerWaalsContact CD1-CG 3.48Å; I324-H534 VanDerWaalsContact CD1-ND1 3.27Å; I324-H534 WeakPolarHBondContact CD1-ND1 3.38Å; I324-H534 HydrophobicContact CG1-CB 3.73Å; I324-I593 HydrophobicContact CG2-CD1 3.44Å; I324-I593 VanDerWaalsContact CG2-CD1 3.44Å
325	A	95	Very high	93.3	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.008	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	26.9	177	0	0	0	0	0	114.9	H534 E535 K538 I597	A325-H534 HydrophobicContact CB-CB 3.82Å; A325-E535 VanDerWaalsContact CA-OE1 3.29Å; A325-E535 WeakPolarHBondContact CA-OE1 3.26Å; A325-E535 PolarHBondContact N-OE1 2.92Å; A325-K538 VanDerWaalsContact C-NZ 3.31Å; A325-K538 HydrophobicContact CB-CB 4.35Å; A325-K538 HydrophobicContact CB-CD 4.23Å; A325-K538 VanDerWaalsContact O-CD 3.28Å; A325-K538 WeakPolarHBondContact O-CD 3.47Å; A325-K538 VanDerWaalsContact O-CE 3.28Å; A325-K538 WeakPolarHBondContact O-CE 3.26Å; A325-K538 PolarHBondContact O-NZ 3.23Å; A325-I597 HydrophobicContact CB-CD1 3.65Å; A325-I597 HydrophobicContact CB-CG1 4.09Å; A325-I597 HydrophobicContact CB-CG2 4.37Å
326	G	92.3	Very high	93	Very high	50 Å²	50	40.5 Å²	40.5	52%	0.515	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	9.2	-177.5	0	0	0	0	0	115.1	I324	I324-G326 PolarHBondContact O-N 3.29Å
327	I	96.3	Very high	92.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	130.8	170.8	-65.4	-64.1	0	0	0	109.6	D323 I324 L329 L596 I597 T600 I622 N626 F628	D323-I327 CarbonylContact C-O 3.57Å; D323-I327 VanDerWaalsContact CA-O 3.28Å; D323-I327 WeakPolarHBondContact CA-O 3.31Å; I324-I327 PolarHBondContact N-O 2.88Å; I324-I327 WeakPolarHBondContact O-CB 3.48Å; I324-I327 PolarHBondContact O-N 3.14Å; I327-L329 HydrophobicContact CG2-CD2 4.26Å; I327-L596 HydrophobicContact CD1-CB 3.82Å; I327-L596 HydrophobicContact CG1-CB 4.27Å; I327-I597 HydrophobicContact CG1-CB 4.48Å; I327-I597 HydrophobicContact CG1-CG1 3.67Å; I327-T600 HydrophobicContact CD1-CG2 3.4Å; I327-T600 HydrophobicContact CG1-CG2 4.41Å; I327-I622 HydrophobicContact CG2-CG2 3.68Å; I327-N626 WeakPolarHBondContact CA-OD1 3.49Å; I327-N626 HydrophobicContact CD1-CB 4.45Å; I327-F628 HydrophobicContact CD1-CE2 4.27Å
328	H	96.9	Very high	92.2	Very high	67 Å²	67	41.5 Å²	41.5	31%	0.31	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	127.3	170	-175.5	61.6	0	0	0	110.8	K322 D323 N626	K322-H328 PolarHBondContact O-ND1 3.41Å; D323-H328 WeakPolarHBondContact OD1-CA 3.47Å; D323-H328 WeakPolarHBondContact OD1-CB 3.4Å; D323-H328 IonicContact OD1-CG 3.55Å; D323-H328 IonicContact OD1-ND1 2.87Å; D323-H328 PolarHBondContact OD1-ND1 3.03Å; D323-H328 IonicContact OD2-ND1 3.92Å; H328-N626 PolarHBondContact N-OD1 3.31Å; H328-N626 PolarHBondContact O-ND2 3.09Å
329	L	95.8	Very high	91.4	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.063	24%	0.241	C	C	.	.			trans	-93.3	110.5	171.3	-57.9	-178	0	0	0	108.3	V319 I321 K322 I324 I327 F335 I622	V319-L329 HydrophobicContact CG1-CD1 4.01Å; I321-L329 HydrophobicContact CG1-CD1 4.35Å; K322-L329 PolarHBondContact O-N 3.3Å; I324-L329 HydrophobicContact CG2-CD1 4.41Å; I324-L329 HydrophobicContact CG2-CG 4.48Å; I327-L329 HydrophobicContact CG2-CD2 4.26Å; L329-F335 HydrophobicContact CD1-CE2 4.39Å; L329-I622 HydrophobicContact CD2-CD1 4.11Å; L329-I622 HydrophobicContact CD2-CG1 4.36Å; L329-I622 HydrophobicContact CD2-CG2 4.22Å
330	P	93.5	Very high	90.3	Very high	11 Å²	11	43.6 Å²	43.6	7%	0.071	25%	0.249	C	C	.	.			trans	-79.8	150.9	-169.7	36.4	-38.6	0	0	0	111.8	N332 V333 I622 A625	P330-N332 WeakPolarHBondContact CB-OD1 3.47Å; P330-N332 WeakPolarHBondContact CG-OD1 3.5Å; P330-N332 PolarHBondContact O-N 3.16Å; P330-V333 HydrophobicContact CG-CG2 4.01Å; P330-V333 PolarHBondContact O-N 3.35Å; P330-V333 VanDerWaalsContact O-N 3.08Å; P330-I622 HydrophobicContact CG-CG1 4.5Å; P330-A625 HydrophobicContact CB-CB 3.62Å; P330-A625 HydrophobicContact CG-CB 3.69Å
331	T	89.4	Confident	88.7	Confident	114 Å²	114	42.2 Å²	42.2	70%	0.699	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.8	-175.3	52.9	0	0	0	0	114.6	V333	T331-V333 PolarHBondContact O-N 2.92Å
332	N	90.5	Very high	86.9	Confident	36 Å²	36	43.7 Å²	43.7	19%	0.193	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-0.6	174.9	68.1	-44.4	0	0	0	112.9	P330 A513 Q516	P330-N332 WeakPolarHBondContact CB-OD1 3.47Å; P330-N332 WeakPolarHBondContact CG-OD1 3.5Å; P330-N332 PolarHBondContact O-N 3.16Å; N332-A513 HydrophobicContact CB-CB 4.48Å; N332-Q516 PolarHBondContact O-N 3.1Å
333	V	92.5	Very high	84.7	Confident	9 Å²	9	43 Å²	43	6%	0.055	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	109.5	168	-178.1	0	0	0	0	108.3	P330 T331 F335 Q516 C518 A618 L621	P330-V333 HydrophobicContact CG-CG2 4.01Å; P330-V333 PolarHBondContact O-N 3.35Å; P330-V333 VanDerWaalsContact O-N 3.08Å; T331-V333 PolarHBondContact O-N 2.92Å; V333-F335 HydrophobicContact CG1-CD1 4.37Å; V333-F335 HydrophobicContact CG1-CE1 3.83Å; V333-F335 HydrophobicContact CG1-CE2 4.05Å; V333-F335 HydrophobicContact CG1-CZ 3.66Å; V333-Q516 CarbonylContact C-O 3.6Å; V333-Q516 WeakPolarHBondContact CA-O 3.3Å; V333-C518 HydrophobicContact CG1-CB 4.33Å; V333-A618 HydrophobicContact CG1-CB 4.06Å; V333-L621 HydrophobicContact CG2-CB 3.64Å; V333-L621 HydrophobicContact CG2-CD1 3.76Å; V333-L621 HydrophobicContact CG2-CG 4.37Å
334	K	91.1	Very high	82.2	Confident	73 Å²	73	45.2 Å²	45.2	32%	0.317	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	113	178.3	-70.3	-180	176.4	170.9	0	109.7	E515 Q516 T517 C518	K334-E515 WeakPolarHBondContact CE-OE2 3.37Å; K334-E515 IonicContact NZ-OE1 2.67Å; K334-E515 PolarHBondContact NZ-OE1 3.34Å; K334-E515 IonicContact NZ-OE2 2.66Å; K334-E515 PolarHBondContact NZ-OE2 3.49Å; K334-Q516 PolarHBondContact N-O 3.04Å; K334-T517 CarbonylContact O-C 3.55Å; K334-T517 WeakPolarHBondContact O-CA 3.44Å; K334-C518 PolarHBondContact O-N 3.15Å
335	F	91.8	Very high	79.8	Confident	30 Å²	30	47.9 Å²	47.9	13%	0.132	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	129.9	175.4	-61.5	-70.1	0	0	0	110.7	V319 L329 V333 C518 L520 L528 F591 I622	V319-F335 HydrophobicContact CB-CB 4.44Å; V319-F335 HydrophobicContact CB-CD2 4.18Å; V319-F335 HydrophobicContact CG1-CD2 4.38Å; V319-F335 HydrophobicContact CG2-CB 3.64Å; V319-F335 HydrophobicContact CG2-CD2 3.77Å; V319-F335 HydrophobicContact CG2-CG 3.89Å; L329-F335 HydrophobicContact CD1-CE2 4.39Å; V333-F335 HydrophobicContact CG1-CD1 4.37Å; V333-F335 HydrophobicContact CG1-CE1 3.83Å; V333-F335 HydrophobicContact CG1-CE2 4.05Å; V333-F335 HydrophobicContact CG1-CZ 3.66Å; F335-C518 WeakPolarHBondContact CA-O 3.42Å; F335-C518 HydrophobicContact CD1-CB 3.84Å; F335-C518 HydrophobicContact CE1-CB 4.06Å; F335-L520 HydrophobicContact CB-CD1 4.4Å; F335-L520 HydrophobicContact CD1-CD1 3.35Å; F335-L520 HydrophobicContact CD1-CG 3.93Å; F335-L520 HydrophobicContact CE1-CD1 3.82Å; F335-L520 HydrophobicContact CG-CD1 4.09Å; F335-L528 HydrophobicContact CE1-CD1 4.41Å; F335-L528 HydrophobicContact CE2-CD1 4.43Å; F335-L528 HydrophobicContact CZ-CD1 4.34Å; F335-F591 HydrophobicContact CE1-CE1 4.18Å; F335-F591 AromaticContact CE1-CZ 3.92Å; F335-F591 HydrophobicContact CE1-CZ 3.92Å; F335-F591 HydrophobicContact CZ-CE1 4.42Å; F335-F591 HydrophobicContact CZ-CZ 4.21Å; F335-I622 HydrophobicContact CZ-CD1 4.15Å
336	Q	88.6	Confident	77.3	Confident	13 Å²	13	57.5 Å²	57.5	6%	0.061	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150.2	178.9	-71.2	176.7	-10.9	0	0	110.1	Y340 D441 T517 C518 V519 L520	Q336-Y340 HydrophobicContact CB-CG 4.46Å; Q336-Y340 HydrophobicContact CG-CG 4.34Å; Q336-D441 PolarHBondContact NE2-OD2 2.85Å; Q336-T517 HydrophobicContact CB-CG2 4.5Å; Q336-T517 HydrophobicContact CG-CG2 4.17Å; Q336-C518 PolarHBondContact N-O 3.35Å; Q336-V519 CarbonylContact O-C 3.58Å; Q336-V519 VanDerWaalsContact O-CA 3.31Å; Q336-V519 WeakPolarHBondContact O-CA 3.46Å; Q336-L520 PolarHBondContact O-N 3.25Å
337	S	89.1	Confident	75.3	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.007	34%	0.339	C	S	.	.			trans	-86.7	165.8	172	78.9	0	0	0	0	111.4	H317 A339 Y340 Q440 L520	H317-S337 VanDerWaalsContact ND1-CB 3.31Å; H317-S337 WeakPolarHBondContact ND1-CB 3.48Å; H317-S337 PolarHBondContact ND1-OG 3.43Å; S337-A339 PolarHBondContact O-N 3.24Å; S337-A339 VanDerWaalsContact O-N 3.15Å; S337-A339 PolarHBondContact OG-N 2.85Å; S337-Y340 VanDerWaalsContact O-CB 3.29Å; S337-Y340 WeakPolarHBondContact O-CB 3.41Å; S337-Y340 PolarHBondContact O-N 3.5Å; S337-Q440 PolarHBondContact OG-NE2 2.64Å; S337-L520 WeakPolarHBondContact CA-O 3.38Å
338	P	84.3	Confident	73.2	Confident	44 Å²	44	67.4 Å²	67.4	29%	0.286	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.9	177.4	-21.8	34.9	0	0	0	113.8	Y340 V519 L520	P338-Y340 PolarHBondContact O-N 3.27Å; P338-V519 HydrophobicContact CG-CG1 4.38Å; P338-L520 WeakPolarHBondContact CD-O 3.37Å
339	A	76.1	Confident	71.6	Confident	15 Å²	15	67.5 Å²	67.5	12%	0.124	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	3.1	173.7	0	0	0	0	0	114	S337 S341 P438	S337-A339 PolarHBondContact O-N 3.24Å; S337-A339 VanDerWaalsContact O-N 3.15Å; S337-A339 PolarHBondContact OG-N 2.85Å; A339-S341 PolarHBondContact O-N 2.82Å; A339-P438 HydrophobicContact CB-CG 4.13Å
340	Y	70.2	Confident	70.3	Confident	89 Å²	89	71.7 Å²	71.7	35%	0.349	39%	0.394	S	S	.	.			trans	-74.9	118	172.1	-175.1	-103.3	0	0	0	110.6	Q336 S337 P338 S342 Q440 D441	Q336-Y340 HydrophobicContact CB-CG 4.46Å; Q336-Y340 HydrophobicContact CG-CG 4.34Å; S337-Y340 VanDerWaalsContact O-CB 3.29Å; S337-Y340 WeakPolarHBondContact O-CB 3.41Å; S337-Y340 PolarHBondContact O-N 3.5Å; P338-Y340 PolarHBondContact O-N 3.27Å; Y340-S342 PolarHBondContact O-N 2.61Å; Y340-Q440 HydrophobicContact CD2-CB 4.19Å; Y340-D441 HydrophobicContact CE2-CB 4.25Å; Y340-D441 WeakPolarHBondContact CE2-OD2 3.31Å; Y340-D441 PolarHBondContact OH-OD2 2.77Å
341	S	56	Low	69.9	Low	35 Å²	35	71.7 Å²	71.7	25%	0.245	39%	0.394	C	S	.	.			trans	-73.4	84.7	177.9	168.6	0	0	0	0	111.5	A339 Q467	A339-S341 PolarHBondContact O-N 2.82Å; S341-Q467 WeakPolarHBondContact OG-CG 3.38Å; S341-Q467 PolarHBondContact OG-NE2 3.13Å
342	S	52.5	Low	69.9	Low	66 Å²	66	66.5 Å²	66.5	46%	0.462	36%	0.362	S	S	.	.			trans	-80.7	131.4	158.9	80	0	0	0	0	109.7	Y340 D344	Y340-S342 PolarHBondContact O-N 2.61Å; S342-D344 PolarHBondContact O-N 2.79Å
343	V	45.5	Very low	70	Confident	127 Å²	127	66.4 Å²	66.4	77%	0.77	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-9.8	-174	-179.3	0	0	0	0	112.6
344	D	43.2	Very low	70	Confident	152 Å²	152	68.5 Å²	68.5	81%	0.813	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	7.5	-168.7	-72.4	-32.7	0	0	0	114.9	S342 E346	S342-D344 PolarHBondContact O-N 2.79Å; D344-E346 PolarHBondContact O-N 3.47Å
345	A	45.4	Very low	70.1	Confident	61 Å²	61	66.7 Å²	66.7	50%	0.504	37%	0.368	S	S	.	.			trans	-78.4	112.5	174.8	0	0	0	0	0	110.1	E347	A345-E347 PolarHBondContact O-N 2.94Å; A345-E347 VanDerWaalsContact O-N 3.09Å
346	E	42.1	Very low	70.2	Confident	202 Å²	202	67.1 Å²	67.1	94%	0.944	37%	0.37	S	S	*	.	S	Bend	trans	-62.7	-7.2	172.1	-69.7	-177.5	157.3	0	0	113.1	D344	D344-E346 PolarHBondContact O-N 3.47Å
347	E	50.3	Low	70.5	Confident	152 Å²	152	66.6 Å²	66.6	71%	0.71	37%	0.368	S	S	*	.	S	Bend	trans	-97.1	125.5	176.1	-70	-178.1	168.4	0	0	111	A345 V349	A345-E347 PolarHBondContact O-N 2.94Å; A345-E347 VanDerWaalsContact O-N 3.09Å; E347-V349 HydrophobicContact CB-CG2 4.3Å; E347-V349 PolarHBondContact O-N 3.01Å
348	T	51.7	Low	70.8	Confident	106 Å²	106	69.4 Å²	69.4	65%	0.65	39%	0.388	S	S	*	.			trans	-70.5	71.3	174.1	34.1	0	0	0	0	110.6
349	V	64.3	Low	71.2	Confident	69 Å²	69	71.6 Å²	71.6	42%	0.418	39%	0.39	S	S	.	.			trans	-75.9	135.2	171.1	-175.9	0	0	0	0	109	E347	E347-V349 HydrophobicContact CB-CG2 4.3Å; E347-V349 PolarHBondContact O-N 3.01Å
350	E	68.1	Low	72.1	Confident	100 Å²	100	71.3 Å²	71.3	47%	0.467	39%	0.387	S	S	.	.			trans	-53.1	126	173.8	-71.7	-176.1	161.3	0	0	110	Y352 Y463	E350-Y352 PolarHBondContact O-N 2.88Å; E350-Y463 HydrophobicContact CG-CE1 3.98Å
351	P	84.3	Confident	73.2	Confident	12 Å²	12	68.1 Å²	68.1	8%	0.078	38%	0.377	C	S	.	.	S	Bend	trans	-79.3	2.8	-171.7	26.7	-28.4	0	0	0	114.4	Y437 Y463 L464 R465	P351-Y437 HydrophobicContact CB-CE1 4.26Å; P351-Y437 HydrophobicContact CG-CE1 4.45Å; P351-Y437 WeakPolarHBondContact O-CD1 3.4Å; P351-Y463 HydrophobicContact CG-CD1 4.34Å; P351-Y463 HydrophobicContact CG-CG 4.39Å; P351-L464 VanDerWaalsContact CG-O 3.24Å; P351-L464 WeakPolarHBondContact CG-O 3.43Å; P351-R465 HydrophobicContact CB-CG 4.07Å; P351-R465 HydrophobicContact CG-CG 4Å
352	Y	90.4	Very high	75.1	Confident	4 Å²	4	70.9 Å²	70.9	2%	0.016	41%	0.411	C	S	.	.	S	Bend	trans	-145.9	159.5	-176.9	45.7	-93.7	0	0	0	110.1	D258 G260 E350 T354 A435 V436 Y437 Y463	D258-Y352 WeakPolarHBondContact OD2-CE2 3.45Å; D258-Y352 VanDerWaalsContact OD2-CZ 3.29Å; D258-Y352 PolarHBondContact OD2-OH 3.46Å; G260-Y352 WeakPolarHBondContact CA-OH 3.17Å; E350-Y352 PolarHBondContact O-N 2.88Å; Y352-T354 HydrophobicContact CD2-CG2 4.27Å; Y352-T354 HydrophobicContact CE2-CG2 4.36Å; Y352-A435 HydrophobicContact CD1-CB 4.4Å; Y352-A435 HydrophobicContact CD2-CB 3.66Å; Y352-A435 HydrophobicContact CE2-CB 4.02Å; Y352-A435 HydrophobicContact CG-CB 3.87Å; Y352-V436 WeakPolarHBondContact CA-O 3.18Å; Y352-V436 WeakPolarHBondContact CB-O 3.44Å; Y352-Y437 AromaticContact CD1-CE1 3.67Å; Y352-Y437 HydrophobicContact CD1-CE1 3.67Å; Y352-Y437 HydrophobicContact CD1-CE2 4.08Å; Y352-Y437 AromaticContact CD1-CZ 3.37Å; Y352-Y437 WeakPolarHBondContact CD1-OH 3.46Å; Y352-Y437 WeakPolarHBondContact CE1-OH 3.38Å; Y352-Y437 HydrophobicContact CG-CE1 4.34Å; Y352-Y437 HydrophobicContact CG-CE2 4.36Å; Y352-Y463 HydrophobicContact CE1-CD1 4.43Å
353	T	92.1	Very high	77.1	Confident	34 Å²	34	69.3 Å²	69.3	21%	0.209	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	166.4	161.2	58.4	0	0	0	0	109.9	V436	T353-V436 PolarHBondContact N-O 3.08Å; T353-V436 PolarHBondContact O-N 2.86Å
354	T	92.8	Very high	79.6	Confident	54 Å²	54	66.5 Å²	66.5	33%	0.331	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.3	173	67.7	0	0	0	0	109.5	A259 Y352 E433 Q434	A259-T354 HydrophobicContact CB-CG2 3.67Å; Y352-T354 HydrophobicContact CD2-CG2 4.27Å; Y352-T354 HydrophobicContact CE2-CG2 4.36Å; T354-E433 VanDerWaalsContact CB-OE2 3.23Å; T354-E433 WeakPolarHBondContact CB-OE2 3.37Å; T354-E433 PolarHBondContact OG1-OE2 2.59Å; T354-Q434 WeakPolarHBondContact CA-O 3.45Å
355	E	93.7	Very high	82.2	Confident	35 Å²	35	63.1 Å²	63.1	16%	0.164	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	143.8	-177.1	-75.3	-68.8	169	0	0	111.3	I313 M357 Q434 V436	I313-E355 HydrophobicContact CD1-CG 3.8Å; E355-M357 VanDerWaalsContact C-N 3.3Å; E355-M357 HydrophobicContact CB-CG 4.36Å; E355-M357 HydrophobicContact CB-SD 3.85Å; E355-M357 PolarHBondContact O-N 3.33Å; E355-Q434 PolarHBondContact N-O 2.72Å; E355-Q434 PolarHBondContact O-N 3Å; E355-Q434 PolarHBondContact O-OE1 2.78Å; E355-V436 HydrophobicContact CB-CG2 3.89Å; E355-V436 HydrophobicContact CG-CG2 4.24Å
356	K	93.6	Very high	84.8	Confident	38 Å²	38	61.8 Å²	61.8	17%	0.165	35%	0.352	C	S	.	.			trans	-81.9	78.1	171.9	-164.1	72.6	177.2	-173	0	109.9	S358 R359 V360 T430 C431 W432 E433	K356-S358 PolarHBondContact O-N 3.15Å; K356-R359 HydrophobicContact CG-CB 4.42Å; K356-R359 HydrophobicContact CG-CG 4.45Å; K356-R359 CarbonylContact O-C 3.5Å; K356-R359 WeakPolarHBondContact O-CA 3.4Å; K356-R359 PolarHBondContact O-N 2.99Å; K356-V360 PolarHBondContact O-N 3.24Å; K356-V360 VanDerWaalsContact O-N 3.17Å; K356-T430 PolarHBondContact NZ-O 3.21Å; K356-C431 VanDerWaalsContact NZ-C 3.3Å; K356-C431 PolarHBondContact NZ-O 3.09Å; K356-C431 VanDerWaalsContact NZ-O 3.14Å; K356-W432 PolarHBondContact NZ-O 2.89Å; K356-E433 HydrophobicContact CB-CG 4.42Å; K356-E433 HydrophobicContact CD-CG 4.26Å
357	M	95.5	Very high	87.5	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.01	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-59.1	-28.1	-170.9	-64.3	-62.7	-68.1	0	0	114	E355 R359 V360 Y364 M409 P426 Q434 V436	E355-M357 VanDerWaalsContact C-N 3.3Å; E355-M357 HydrophobicContact CB-CG 4.36Å; E355-M357 HydrophobicContact CB-SD 3.85Å; E355-M357 PolarHBondContact O-N 3.33Å; M357-R359 PolarHBondContact O-N 2.99Å; M357-R359 VanDerWaalsContact O-N 3.13Å; M357-V360 HydrophobicContact CE-CG1 4.38Å; M357-V360 WeakPolarHBondContact O-CG1 3.46Å; M357-V360 PolarHBondContact O-N 2.88Å; M357-V360 HydrophobicContact SD-CB 4.44Å; M357-Y364 HydrophobicContact CB-CD1 4.41Å; M357-Y364 HydrophobicContact CB-CE1 4.06Å; M357-Y364 HydrophobicContact CE-CD1 3.85Å; M357-Y364 HydrophobicContact CE-CE1 4.48Å; M357-Y364 HydrophobicContact CE-CG 4.01Å; M357-Y364 WeakPolarHBondContact O-CE1 3.22Å; M357-M409 HydrophobicContact CB-SD 3.69Å; M357-M409 HydrophobicContact CE-CG 4.42Å; M357-M409 HydrophobicContact CE-SD 3.79Å; M357-M409 HydrophobicContact CG-CG 4.03Å; M357-M409 HydrophobicContact CG-SD 3.59Å; M357-M409 VanDerWaalsContact CG-SD 3.59Å; M357-M409 HydrophobicContact SD-SD 4.5Å; M357-P426 HydrophobicContact CB-CB 4.03Å; M357-Q434 HydrophobicContact CB-CG 4.43Å; M357-Q434 HydrophobicContact CG-CB 3.88Å; M357-Q434 HydrophobicContact CG-CG 4.25Å; M357-V436 HydrophobicContact CG-CG2 4.34Å; M357-V436 HydrophobicContact SD-CG2 3.9Å
358	S	94.5	Very high	89.8	Confident	61 Å²	61	45 Å²	45	43%	0.427	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-59.7	-18.3	170.9	62.6	0	0	0	0	114.8	K356	K356-S358 PolarHBondContact O-N 3.15Å
359	R	92.8	Very high	92	Very high	89 Å²	89	46 Å²	46	34%	0.336	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-132.8	17.7	-177.3	-59.1	-179	-173	164.2	0.3	112.3	K356 M357 P361 T707 E711 S744	K356-R359 HydrophobicContact CG-CB 4.42Å; K356-R359 HydrophobicContact CG-CG 4.45Å; K356-R359 CarbonylContact O-C 3.5Å; K356-R359 WeakPolarHBondContact O-CA 3.4Å; K356-R359 PolarHBondContact O-N 2.99Å; M357-R359 PolarHBondContact O-N 2.99Å; M357-R359 VanDerWaalsContact O-N 3.13Å; R359-P361 WeakPolarHBondContact O-CD 3.41Å; R359-T707 VanDerWaalsContact NH1-CG2 3.27Å; R359-E711 IonicContact NH1-OE1 2.65Å; R359-E711 PolarHBondContact NH1-OE1 2.71Å; R359-S744 WeakPolarHBondContact O-CB 3.39Å; R359-S744 PolarHBondContact O-OG 2.87Å
360	V	95	Very high	93.5	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.055	27%	0.271	C	S	.	.			trans	-63.5	130.2	177.7	69.6	0	0	0	0	109.7	E312 K356 M357 G362 G363 Y364	E312-V360 HydrophobicContact CB-CG2 3.82Å; E312-V360 HydrophobicContact CG-CG2 3.77Å; K356-V360 PolarHBondContact O-N 3.24Å; K356-V360 VanDerWaalsContact O-N 3.17Å; M357-V360 HydrophobicContact CE-CG1 4.38Å; M357-V360 WeakPolarHBondContact O-CG1 3.46Å; M357-V360 PolarHBondContact O-N 2.88Å; M357-V360 HydrophobicContact SD-CB 4.44Å; V360-G362 PolarHBondContact O-N 3.46Å; V360-G363 PolarHBondContact O-N 3.13Å; V360-Y364 HydrophobicContact CG1-CD1 4.01Å
361	P	94.3	Very high	95	Very high	22 Å²	22	41.7 Å²	41.7	14%	0.143	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	135.4	176	-30	35	0	0	0	112.6	E312 R359 G363 D741	E312-P361 HydrophobicContact CG-CB 4.31Å; E312-P361 HydrophobicContact CG-CG 4.37Å; R359-P361 WeakPolarHBondContact O-CD 3.41Å; P361-G363 PolarHBondContact O-N 2.87Å; P361-G363 VanDerWaalsContact O-N 3.08Å; P361-D741 HydrophobicContact CG-CB 4.01Å
362	G	94.2	Very high	95.6	Very high	93 Å²	93	46.4 Å²	46.4	96%	0.959	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	-10.6	-176.5	0	0	0	0	0	115.4	V360	V360-G362 PolarHBondContact O-N 3.46Å
363	G	96.1	Very high	95.9	Very high	34 Å²	34	46.7 Å²	46.7	35%	0.351	27%	0.274	S	S	.	.			trans	71.7	-170.2	-178.1	0	0	0	0	0	113.6	C310 V360 P361	C310-G363 PolarHBondContact SG-O 3.17Å; V360-G363 PolarHBondContact O-N 3.13Å; P361-G363 PolarHBondContact O-N 2.87Å; P361-G363 VanDerWaalsContact O-N 3.08Å
364	Y	97.8	Very high	96.1	Very high	68 Å²	68	45.6 Å²	45.6	27%	0.267	27%	0.267	S	S	.	.			trans	-139.5	159.6	177.6	66.7	-90.2	0	0	0	111.1	V308 E309 M357 V360 M409 P426	V308-Y364 HydrophobicContact CB-CD2 4.37Å; V308-Y364 HydrophobicContact CG1-CD2 3.86Å; V308-Y364 HydrophobicContact CG1-CE2 4.41Å; E309-Y364 CarbonylContact O-C 3.53Å; E309-Y364 VanDerWaalsContact O-CA 3.23Å; E309-Y364 WeakPolarHBondContact O-CA 3.28Å; E309-Y364 WeakPolarHBondContact O-CB 3.41Å; M357-Y364 HydrophobicContact CB-CD1 4.41Å; M357-Y364 HydrophobicContact CB-CE1 4.06Å; M357-Y364 HydrophobicContact CE-CD1 3.85Å; M357-Y364 HydrophobicContact CE-CE1 4.48Å; M357-Y364 HydrophobicContact CE-CG 4.01Å; M357-Y364 WeakPolarHBondContact O-CE1 3.22Å; V360-Y364 HydrophobicContact CG1-CD1 4.01Å; Y364-M409 HydrophobicContact CE1-SD 4.48Å; Y364-M409 HydrophobicContact CE2-CE 3.89Å; Y364-M409 HydrophobicContact CE2-SD 4.28Å; Y364-P426 WeakPolarHBondContact OH-CG 3.28Å
365	L	98.3	Very high	96.3	Very high	80 Å²	80	46.5 Å²	46.5	42%	0.419	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.1	174.5	-60.7	175	0	0	0	110	V308 E309 L367	V308-L365 CarbonylContact C-O 3.48Å; V308-L365 VanDerWaalsContact CA-O 3.27Å; V308-L365 WeakPolarHBondContact CA-O 3.27Å; E309-L365 HydrophobicContact CB-CB 4.27Å; E309-L365 PolarHBondContact N-O 3.41Å; E309-L365 PolarHBondContact O-N 2.92Å; L365-L367 PolarHBondContact O-N 2.61Å
366	A	98.4	Very high	96.4	Very high	33 Å²	33	45 Å²	45	27%	0.273	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	124.2	171.8	0	0	0	0	0	110.5	M306	M306-A366 HydrophobicContact CE-CB 4.17Å; M306-A366 HydrophobicContact CG-CB 4.26Å; M306-A366 HydrophobicContact SD-CB 3.45Å; M306-A366 WeakPolarHBondContact SD-CB 3.27Å
367	L	98.6	Very high	96.6	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-98.6	-20.6	174.4	-56.2	176.7	0	0	0	112.1	A307 E309 L365 I400 K401 L405 I447	A307-L367 PolarHBondContact O-N 2.96Å; E309-L367 HydrophobicContact CB-CD1 4.2Å; E309-L367 HydrophobicContact CB-CD2 4.16Å; E309-L367 HydrophobicContact CB-CG 4.32Å; L365-L367 PolarHBondContact O-N 2.61Å; L367-I400 WeakPolarHBondContact O-CG1 2.94Å; L367-I400 PolarHBondContact O-N 3.49Å; L367-K401 PolarHBondContact O-N 3.14Å; L367-L405 HydrophobicContact CD1-CB 4.39Å; L367-L405 HydrophobicContact CD1-CD1 4.26Å; L367-I447 HydrophobicContact CB-CD1 3.94Å; L367-I447 HydrophobicContact CD1-CD1 3.63Å; L367-I447 HydrophobicContact CD1-CG1 4.1Å; L367-I447 HydrophobicContact CG-CD1 4.34Å
368	T	98.6	Very high	96.7	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	27%	0.273	C	S	.	.	S	Bend	trans	-125.7	163.6	173.4	66.2	0	0	0	0	110.4	A307 I397	A307-T368 HydrophobicContact CB-CG2 3.67Å; A307-T368 PolarHBondContact N-OG1 2.76Å; T368-I397 HydrophobicContact CG2-CB 4.37Å; T368-I397 HydrophobicContact CG2-CG2 3.55Å
369	E	97.9	Very high	96.8	Very high	129 Å²	129	44.8 Å²	44.8	60%	0.603	26%	0.262	S	S	*	.			trans	-64.2	166.3	160.1	-68.4	-62.8	154.4	0	0	110.5	I400	E369-I400 HydrophobicContact CG-CD1 4.09Å; E369-I400 HydrophobicContact CG-CG2 4.14Å; E369-I400 WeakPolarHBondContact OE1-CD1 3.35Å
370	C	97.6	Very high	96.9	Very high	60 Å²	60	43.2 Å²	43.2	41%	0.405	26%	0.26	S	S	.	.			trans	-63.9	134.2	166.3	174.8	0	0	0	0	110	F304 M306 W411	F304-C370 VanDerWaalsContact CD1-SG 3.55Å; M306-C370 HydrophobicContact CE-CB 4.34Å; C370-W411 HydrophobicContact CB-CH2 4.22Å; C370-W411 HydrophobicContact CB-CZ2 4.25Å; C370-W411 WeakPolarHBondContact SG-CZ2 3.43Å
371	F	97.8	Very high	96.9	Very high	18 Å²	18	45.1 Å²	45.1	8%	0.079	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148	176.1	58.4	-91	0	0	0	111.8	F304 G305 I373 I397 I408 M455	F304-F371 CarbonylContact C-O 3.53Å; F304-F371 VanDerWaalsContact CA-O 3.26Å; F304-F371 WeakPolarHBondContact CA-O 3.47Å; G305-F371 PolarHBondContact N-O 3.21Å; G305-F371 WeakPolarHBondContact O-CD1 3.4Å; G305-F371 WeakPolarHBondContact O-CE1 3.3Å; G305-F371 PolarHBondContact O-N 3.1Å; F371-I373 HydrophobicContact CD2-CG1 4Å; F371-I373 HydrophobicContact CE2-CD1 4.23Å; F371-I373 HydrophobicContact CE2-CG1 3.69Å; F371-I397 HydrophobicContact CB-CD1 3.7Å; F371-I397 HydrophobicContact CB-CG1 4.48Å; F371-I397 HydrophobicContact CD1-CB 4.34Å; F371-I397 HydrophobicContact CD1-CD1 3.91Å; F371-I397 HydrophobicContact CD1-CG1 3.74Å; F371-I397 HydrophobicContact CD1-CG2 3.74Å; F371-I397 HydrophobicContact CD2-CD1 3.75Å; F371-I397 HydrophobicContact CD2-CG1 3.99Å; F371-I397 HydrophobicContact CE1-CB 4.41Å; F371-I397 HydrophobicContact CE1-CD1 4.47Å; F371-I397 HydrophobicContact CE1-CG1 3.83Å; F371-I397 HydrophobicContact CE1-CG2 4.09Å; F371-I397 HydrophobicContact CE2-CD1 4.32Å; F371-I397 HydrophobicContact CE2-CG1 4.07Å; F371-I397 HydrophobicContact CG-CD1 3.52Å; F371-I397 HydrophobicContact CG-CG1 3.82Å; F371-I397 HydrophobicContact CG-CG2 4.41Å; F371-I397 HydrophobicContact CZ-CG1 4.01Å; F371-I408 HydrophobicContact CZ-CG2 4.19Å; F371-M455 HydrophobicContact CE2-CE 4.45Å; F371-M455 HydrophobicContact CE2-SD 4.18Å; F371-M455 HydrophobicContact CZ-CE 3.91Å; F371-M455 HydrophobicContact CZ-SD 4.13Å
372	E	98	Very high	96.9	Very high	110 Å²	110	51.9 Å²	51.9	51%	0.514	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	127.5	171.7	-176	-179.4	124.9	0	0	109.3	V302 T375	V302-E372 HydrophobicContact CG1-CG 3.8Å; E372-T375 VanDerWaalsContact OE1-CG2 3.31Å; E372-T375 WeakPolarHBondContact OE1-CG2 3.35Å
373	I	97.1	Very high	97	Very high	10 Å²	10	50 Å²	50	5%	0.051	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-55	175.4	-68.9	179.3	0	0	0	109.3	I303 F371 V410 V457 L464 I466	I303-I373 HydrophobicContact CB-CB 4.31Å; I303-I373 HydrophobicContact CG2-CB 4.02Å; I303-I373 HydrophobicContact CG2-CD1 4.07Å; I303-I373 HydrophobicContact CG2-CG2 4.37Å; I303-I373 PolarHBondContact O-N 2.84Å; F371-I373 HydrophobicContact CD2-CG1 4Å; F371-I373 HydrophobicContact CE2-CD1 4.23Å; F371-I373 HydrophobicContact CE2-CG1 3.69Å; I373-V410 HydrophobicContact CD1-CG1 4.17Å; I373-V410 HydrophobicContact CD1-CG2 3.78Å; I373-V457 HydrophobicContact CG2-CB 4.41Å; I373-V457 HydrophobicContact CG2-CG1 3.57Å; I373-V457 HydrophobicContact CG2-CG2 4.12Å; I373-L464 HydrophobicContact CG2-CD1 4.27Å; I373-I466 HydrophobicContact CD1-CD1 3.9Å
374	M	95.4	Very high	96.8	Very high	12 Å²	12	48.3 Å²	48.3	6%	0.059	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	164.6	178.2	63.8	-179.6	-73.5	0	0	111.8	F262 I303 L387 L464	F262-M374 HydrophobicContact CE2-CE 4.03Å; F262-M374 HydrophobicContact CE2-SD 3.94Å; F262-M374 HydrophobicContact CZ-CE 3.93Å; F262-M374 HydrophobicContact CZ-SD 4.34Å; I303-M374 HydrophobicContact CB-CG 4.23Å; I303-M374 HydrophobicContact CD1-CG 3.7Å; I303-M374 HydrophobicContact CD1-SD 4.03Å; I303-M374 HydrophobicContact CG1-CG 4.34Å; I303-M374 PolarHBondContact N-O 3.49Å; M374-L387 HydrophobicContact CE-CD2 3.75Å; M374-L464 HydrophobicContact SD-CD1 3.99Å
375	T	96.5	Very high	96.6	Very high	72 Å²	72	49.6 Å²	49.6	44%	0.442	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	151.1	172	48.1	0	0	0	0	109.9	A301 V302 E372	A301-T375 WeakPolarHBondContact O-CA 3.38Å; V302-T375 HydrophobicContact CB-CG2 4.34Å; V302-T375 HydrophobicContact CG1-CG2 3.92Å; V302-T375 HydrophobicContact CG2-CG2 4.01Å; E372-T375 VanDerWaalsContact OE1-CG2 3.31Å; E372-T375 WeakPolarHBondContact OE1-CG2 3.35Å
376	V	96.1	Very high	96.2	Very high	3 Å²	3	48 Å²	48	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	126.5	175.6	57.5	0	0	0	0	110.6	L261 F262 S300 A301 F378 E383 L384 L387	L261-V376 HydrophobicContact CD2-CG1 4.09Å; F262-V376 HydrophobicContact CE1-CG1 4.13Å; F262-V376 HydrophobicContact CZ-CG1 4.17Å; S300-V376 CarbonylContact C-O 3.58Å; S300-V376 WeakPolarHBondContact CA-O 3.29Å; S300-V376 WeakPolarHBondContact CB-O 3.44Å; A301-V376 HydrophobicContact CB-CG1 3.79Å; A301-V376 PolarHBondContact N-O 2.83Å; A301-V376 PolarHBondContact O-N 3.36Å; V376-F378 HydrophobicContact CG1-CE1 3.97Å; V376-F378 HydrophobicContact CG1-CE2 4.35Å; V376-F378 HydrophobicContact CG1-CZ 3.8Å; V376-F378 HydrophobicContact CG2-CD1 4.11Å; V376-F378 HydrophobicContact CG2-CE1 3.95Å; V376-E383 WeakPolarHBondContact CA-OE1 3.39Å; V376-L384 HydrophobicContact CG2-CD2 3.79Å; V376-L387 HydrophobicContact CG2-CD1 4.02Å
377	D	97.2	Very high	95.7	Very high	60 Å²	60	46.8 Å²	46.8	32%	0.321	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	107	170.2	-175.3	-5.4	0	0	0	110.9	N379 N380 E383	D377-N379 PolarHBondContact O-N 3.04Å; D377-N379 WeakPolarHBondContact OD1-CA 3.07Å; D377-N379 WeakPolarHBondContact OD1-CB 3.06Å; D377-N379 PolarHBondContact OD1-N 2.95Å; D377-N380 HydrophobicContact CB-CB 3.94Å; D377-N380 PolarHBondContact O-N 2.97Å; D377-N380 VanDerWaalsContact O-N 3.07Å; D377-E383 PolarHBondContact N-OE1 3.28Å
378	F	97.6	Very high	94.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-11.3	178.8	-66.2	-51.8	0	0	0	113.4	L261 I266 L270 W274 V296 P298 A299 A301 V376 L384 L414	L261-F378 HydrophobicContact CD1-CZ 4.34Å; L261-F378 HydrophobicContact CD2-CZ 4.3Å; I266-F378 HydrophobicContact CD1-CE1 3.99Å; I266-F378 HydrophobicContact CD1-CE2 4.22Å; I266-F378 HydrophobicContact CD1-CZ 3.81Å; I266-F378 HydrophobicContact CG1-CE1 4.23Å; I266-F378 HydrophobicContact CG2-CE1 4.32Å; L270-F378 HydrophobicContact CD1-CB 3.75Å; L270-F378 HydrophobicContact CD1-CD1 3.43Å; L270-F378 VanDerWaalsContact CD1-CD1 3.43Å; L270-F378 HydrophobicContact CD1-CE1 4.22Å; L270-F378 HydrophobicContact CD1-CG 3.73Å; W274-F378 PolarHBondContact NE1-O 3.37Å; V296-F378 HydrophobicContact CG1-CB 4.24Å; P298-F378 HydrophobicContact CB-CD2 4.11Å; P298-F378 HydrophobicContact CB-CE2 4.27Å; A299-F378 WeakPolarHBondContact O-CB 3.29Å; A299-F378 PolarHBondContact O-N 3.45Å; A301-F378 HydrophobicContact CB-CE2 3.87Å; A301-F378 HydrophobicContact CB-CZ 4.18Å; V376-F378 HydrophobicContact CG1-CE1 3.97Å; V376-F378 HydrophobicContact CG1-CE2 4.35Å; V376-F378 HydrophobicContact CG1-CZ 3.8Å; V376-F378 HydrophobicContact CG2-CD1 4.11Å; V376-F378 HydrophobicContact CG2-CE1 3.95Å; F378-L384 HydrophobicContact CD1-CD2 3.99Å; F378-L414 HydrophobicContact CE2-CD2 4.36Å
379	N	96.9	Very high	94.1	Very high	38 Å²	38	54.4 Å²	54.4	20%	0.203	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	2.4	172.5	-67	-91.6	0	0	0	113.7	W274 K295 V296 A299 D377	W274-N379 HydrophobicContact CZ2-CB 4.01Å; K295-N379 WeakPolarHBondContact CA-OD1 3.48Å; V296-N379 PolarHBondContact N-OD1 2.85Å; A299-N379 VanDerWaalsContact CA-ND2 3.34Å; A299-N379 WeakPolarHBondContact CA-ND2 3.24Å; A299-N379 PolarHBondContact O-ND2 2.92Å; A299-N379 VanDerWaalsContact O-ND2 3.14Å; D377-N379 PolarHBondContact O-N 3.04Å; D377-N379 WeakPolarHBondContact OD1-CA 3.07Å; D377-N379 WeakPolarHBondContact OD1-CB 3.06Å; D377-N379 PolarHBondContact OD1-N 2.95Å
380	N	96.2	Very high	93.4	Very high	55 Å²	55	51.8 Å²	51.8	29%	0.294	28%	0.279	S	S	.	.			trans	-112.7	93.3	-179.2	-173.5	-5.9	0	0	0	112.3	D377 Q382 E383 L384	D377-N380 HydrophobicContact CB-CB 3.94Å; D377-N380 PolarHBondContact O-N 2.97Å; D377-N380 VanDerWaalsContact O-N 3.07Å; N380-Q382 VanDerWaalsContact C-N 3.25Å; N380-Q382 PolarHBondContact O-N 3.11Å; N380-Q382 PolarHBondContact OD1-N 3.05Å; N380-E383 HydrophobicContact CB-CB 3.87Å; N380-E383 WeakPolarHBondContact ND2-CB 3.23Å; N380-E383 PolarHBondContact ND2-OE2 3.46Å; N380-E383 WeakPolarHBondContact O-CB 3.15Å; N380-E383 PolarHBondContact O-N 2.74Å; N380-E383 VanDerWaalsContact O-N 3.1Å; N380-E383 PolarHBondContact OD1-N 2.91Å; N380-L384 PolarHBondContact O-N 3.15Å
381	L	95.2	Very high	92.8	Very high	50 Å²	50	57.1 Å²	57.1	26%	0.262	30%	0.295	S	S	.	.	H	α-helix	trans	-56.4	-35.1	180	178.4	59.7	0	0	0	113.8	I271 W274 E275 E383 K385	I271-L381 HydrophobicContact CB-CD1 4.32Å; I271-L381 HydrophobicContact CG1-CD1 4.24Å; I271-L381 HydrophobicContact CG2-CD1 4.13Å; W274-L381 HydrophobicContact CB-CB 4.27Å; W274-L381 HydrophobicContact CB-CD1 3.87Å; W274-L381 HydrophobicContact CB-CD2 4.16Å; W274-L381 HydrophobicContact CB-CG 4.31Å; W274-L381 HydrophobicContact CG-CB 4.38Å; E275-L381 HydrophobicContact CG-CD1 4.34Å; E275-L381 HydrophobicContact CG-CD2 4.05Å; L381-E383 VanDerWaalsContact C-N 3.35Å; L381-K385 HydrophobicContact CD1-CD 4.31Å; L381-K385 HydrophobicContact CD1-CG 4.19Å; L381-K385 HydrophobicContact CG-CD 4.39Å; L381-K385 WeakPolarHBondContact O-CB 3.43Å; L381-K385 WeakPolarHBondContact O-CG 3.16Å; L381-K385 PolarHBondContact O-N 3.14Å; L381-K385 VanDerWaalsContact O-N 3.09Å
382	Q	94.2	Very high	92.4	Very high	164 Å²	164	59 Å²	59	77%	0.766	31%	0.309	S	S	*	.	H	α-helix	trans	-68.8	-38.7	-179.9	-69.7	-175.6	-14.5	0	0	111.4	N380 S386	N380-Q382 VanDerWaalsContact C-N 3.25Å; N380-Q382 PolarHBondContact O-N 3.11Å; N380-Q382 PolarHBondContact OD1-N 3.05Å; Q382-S386 WeakPolarHBondContact O-CB 3.31Å; Q382-S386 PolarHBondContact O-N 3.18Å
383	E	94.7	Very high	92	Very high	52 Å²	52	56.5 Å²	56.5	24%	0.243	30%	0.299	C	S	.	.	H	α-helix	trans	-66.4	-48.6	176.5	-173.4	176.2	146.9	0	0	111.1	V376 D377 N380 L381 K385 S386 L387	V376-E383 WeakPolarHBondContact CA-OE1 3.39Å; D377-E383 PolarHBondContact N-OE1 3.28Å; N380-E383 HydrophobicContact CB-CB 3.87Å; N380-E383 WeakPolarHBondContact ND2-CB 3.23Å; N380-E383 PolarHBondContact ND2-OE2 3.46Å; N380-E383 WeakPolarHBondContact O-CB 3.15Å; N380-E383 PolarHBondContact O-N 2.74Å; N380-E383 VanDerWaalsContact O-N 3.1Å; N380-E383 PolarHBondContact OD1-N 2.91Å; L381-E383 VanDerWaalsContact C-N 3.35Å; E383-K385 VanDerWaalsContact C-N 3.33Å; E383-K385 PolarHBondContact O-N 3.41Å; E383-S386 WeakPolarHBondContact CA-OG 3.48Å; E383-S386 WeakPolarHBondContact O-CA 3.41Å; E383-S386 WeakPolarHBondContact O-CB 3.5Å; E383-S386 PolarHBondContact O-N 3.12Å; E383-S386 PolarHBondContact O-OG 3.16Å; E383-L387 PolarHBondContact O-N 3.36Å; E383-L387 VanDerWaalsContact O-N 3.16Å
384	L	93.6	Very high	91.9	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-55.7	-46.4	176.6	-65.3	177	0	0	0	112.2	V267 L270 I271 V376 F378 N380 S386 L387	V267-L384 HydrophobicContact CG1-CB 4.4Å; V267-L384 HydrophobicContact CG1-CD2 4.41Å; L270-L384 HydrophobicContact CB-CD1 3.92Å; I271-L384 HydrophobicContact CD1-CB 4.22Å; I271-L384 HydrophobicContact CG1-CB 3.76Å; V376-L384 HydrophobicContact CG2-CD2 3.79Å; F378-L384 HydrophobicContact CD1-CD2 3.99Å; N380-L384 PolarHBondContact O-N 3.15Å; L384-S386 PolarHBondContact O-N 2.84Å; L384-L387 HydrophobicContact CD2-CD1 4.33Å; L384-L387 WeakPolarHBondContact O-CB 3.44Å; L384-L387 PolarHBondContact O-N 2.86Å
385	K	92.6	Very high	91.9	Very high	94 Å²	94	64.2 Å²	64.2	41%	0.409	33%	0.333	S	S	.	.	H	α-helix	trans	-63.9	-30.6	175.1	-75.2	-176.7	172.5	-168.5	0	113.3	I271 E275 L381 E383 L387	I271-K385 HydrophobicContact CD1-CG 4.16Å; I271-K385 HydrophobicContact CG1-CG 4.28Å; I271-K385 HydrophobicContact CG2-CG 4.29Å; E275-K385 WeakPolarHBondContact OE1-CE 3.19Å; E275-K385 IonicContact OE1-NZ 3.48Å; E275-K385 PolarHBondContact OE1-NZ 3.35Å; L381-K385 HydrophobicContact CD1-CD 4.31Å; L381-K385 HydrophobicContact CD1-CG 4.19Å; L381-K385 HydrophobicContact CG-CD 4.39Å; L381-K385 WeakPolarHBondContact O-CB 3.43Å; L381-K385 WeakPolarHBondContact O-CG 3.16Å; L381-K385 PolarHBondContact O-N 3.14Å; L381-K385 VanDerWaalsContact O-N 3.09Å; E383-K385 VanDerWaalsContact C-N 3.33Å; E383-K385 PolarHBondContact O-N 3.41Å; K385-L387 VanDerWaalsContact C-N 3.33Å
386	S	91.1	Very high	91.8	Very high	47 Å²	47	62.5 Å²	62.5	33%	0.329	33%	0.33	S	S	.	.	H	α-helix	trans	-73.1	-26.3	-179.3	77.1	0	0	0	0	112.7	Q382 E383 L384 A388 T389 K390	Q382-S386 WeakPolarHBondContact O-CB 3.31Å; Q382-S386 PolarHBondContact O-N 3.18Å; E383-S386 WeakPolarHBondContact CA-OG 3.48Å; E383-S386 WeakPolarHBondContact O-CA 3.41Å; E383-S386 WeakPolarHBondContact O-CB 3.5Å; E383-S386 PolarHBondContact O-N 3.12Å; E383-S386 PolarHBondContact O-OG 3.16Å; L384-S386 PolarHBondContact O-N 2.84Å; S386-A388 VanDerWaalsContact C-N 3.34Å; S386-A388 PolarHBondContact O-N 2.65Å; S386-T389 CarbonylContact O-C 3.54Å; S386-T389 PolarHBondContact O-N 2.96Å; S386-T389 PolarHBondContact O-OG1 2.94Å; S386-K390 WeakPolarHBondContact O-CB 3.48Å; S386-K390 PolarHBondContact O-N 3.47Å
387	L	87.9	Confident	91.9	Very high	8 Å²	8	63.3 Å²	63.3	4%	0.042	33%	0.334	C	S	.	.	H	α-helix	trans	-54.6	-46.9	-179.5	-66	178.5	0	0	0	112.1	V267 M374 V376 E383 L384 K385 T389 K390	V267-L387 HydrophobicContact CG1-CD1 4.2Å; V267-L387 HydrophobicContact CG2-CD1 4.04Å; M374-L387 HydrophobicContact CE-CD2 3.75Å; V376-L387 HydrophobicContact CG2-CD1 4.02Å; E383-L387 PolarHBondContact O-N 3.36Å; E383-L387 VanDerWaalsContact O-N 3.16Å; L384-L387 HydrophobicContact CD2-CD1 4.33Å; L384-L387 WeakPolarHBondContact O-CB 3.44Å; L384-L387 PolarHBondContact O-N 2.86Å; K385-L387 VanDerWaalsContact C-N 3.33Å; L387-T389 PolarHBondContact O-N 2.78Å; L387-T389 VanDerWaalsContact O-N 3.12Å; L387-K390 WeakPolarHBondContact O-CB 3.37Å; L387-K390 PolarHBondContact O-N 3.35Å
388	A	78.9	Confident	91.9	Very high	52 Å²	52	63.7 Å²	63.7	43%	0.43	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.9	177.8	0	0	0	0	0	113.8	S386	S386-A388 VanDerWaalsContact C-N 3.34Å; S386-A388 PolarHBondContact O-N 2.65Å
389	T	82.9	Confident	92	Very high	109 Å²	109	64 Å²	64	67%	0.669	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-3.4	-177.7	60.9	0	0	0	0	113.3	S386 L387 K391	S386-T389 CarbonylContact O-C 3.54Å; S386-T389 PolarHBondContact O-N 2.96Å; S386-T389 PolarHBondContact O-OG1 2.94Å; L387-T389 PolarHBondContact O-N 2.78Å; L387-T389 VanDerWaalsContact O-N 3.12Å; T389-K391 PolarHBondContact O-N 2.86Å
390	K	85.1	Confident	92	Very high	74 Å²	74	66 Å²	66	32%	0.322	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-67.7	134.4	-173.7	-165.1	-174.5	179.4	-168	0	108.4	S386 L387 D393 Q460	S386-K390 WeakPolarHBondContact O-CB 3.48Å; S386-K390 PolarHBondContact O-N 3.47Å; L387-K390 WeakPolarHBondContact O-CB 3.37Å; L387-K390 PolarHBondContact O-N 3.35Å; K390-D393 WeakPolarHBondContact CE-OD2 3.2Å; K390-D393 IonicContact NZ-OD1 2.61Å; K390-D393 IonicContact NZ-OD2 3.38Å; K390-D393 PolarHBondContact NZ-OD2 3.08Å; K390-Q460 PolarHBondContact O-NE2 3.36Å
391	K	84.9	Confident	92.1	Very high	172 Å²	172	67.8 Å²	67.8	75%	0.748	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-67.1	146.6	171.7	-70.4	-172.3	176.3	-173.9	0	109.4	T389 D393	T389-K391 PolarHBondContact O-N 2.86Å; K391-D393 PolarHBondContact O-N 2.94Å
392	P	88.4	Confident	92.2	Very high	57 Å²	57	71.3 Å²	71.3	37%	0.37	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-55.8	133.3	175.9	-24.6	33.5	0	0	0	111.7	E456 V457	P392-E456 HydrophobicContact CB-CB 4.44Å; P392-V457 CarbonylContact C-O 3.2Å; P392-V457 WeakPolarHBondContact CA-O 3.34Å
393	D	90.3	Very high	92.4	Very high	58 Å²	58	63.6 Å²	63.6	31%	0.31	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	133.4	175.3	-67	-47	0	0	0	109.4	K390 K391 E456 V457	K390-D393 WeakPolarHBondContact CE-OD2 3.2Å; K390-D393 IonicContact NZ-OD1 2.61Å; K390-D393 IonicContact NZ-OD2 3.38Å; K390-D393 PolarHBondContact NZ-OD2 3.08Å; K391-D393 PolarHBondContact O-N 2.94Å; D393-E456 CarbonylContact O-C 3.34Å; D393-E456 WeakPolarHBondContact O-CA 3.48Å; D393-V457 PolarHBondContact N-O 3.42Å; D393-V457 PolarHBondContact O-N 2.9Å
394	K	94.4	Very high	92.5	Very high	158 Å²	158	63.1 Å²	63.1	69%	0.687	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	122.4	172.8	-73.4	-173.8	-174.5	-134.7	0	109.8	E456	K394-E456 WeakPolarHBondContact CE-OE1 3.32Å; K394-E456 HydrophobicContact CG-CG 3.92Å; K394-E456 IonicContact NZ-OE1 3.52Å; K394-E456 PolarHBondContact NZ-OE1 2.83Å
395	I	94.4	Very high	92.7	Very high	26 Å²	26	63.1 Å²	63.1	13%	0.133	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.4	179.8	-53.5	-175.8	0	0	0	108.5	I397 M454 M455 V457	I395-I397 HydrophobicContact CG2-CD1 3.41Å; I395-I397 VanDerWaalsContact CG2-CD1 3.41Å; I395-I397 HydrophobicContact CG2-CG1 3.8Å; I395-M454 CarbonylContact O-C 3.51Å; I395-M454 WeakPolarHBondContact O-CA 3.36Å; I395-M455 HydrophobicContact CB-CG 4.08Å; I395-M455 PolarHBondContact N-O 2.95Å; I395-M455 PolarHBondContact O-N 2.99Å; I395-V457 HydrophobicContact CD1-CB 4.46Å; I395-V457 HydrophobicContact CD1-CG2 3.69Å; I395-V457 HydrophobicContact CG1-CG2 4.26Å
396	G	96.3	Very high	93	Very high	36 Å²	36	58.7 Å²	58.7	37%	0.371	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.6	172.7	0	0	0	0	0	109.9	V453 M454	G396-V453 WeakPolarHBondContact CA-O 3.5Å; G396-M454 WeakPolarHBondContact CA-SD 3.41Å
397	I	97.7	Very high	93.3	Very high	19 Å²	19	56.4 Å²	56.4	10%	0.097	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.7	-173.5	-55.5	-58.6	0	0	0	110.1	T368 F371 I395 H452 V453	T368-I397 HydrophobicContact CG2-CB 4.37Å; T368-I397 HydrophobicContact CG2-CG2 3.55Å; F371-I397 HydrophobicContact CB-CD1 3.7Å; F371-I397 HydrophobicContact CB-CG1 4.48Å; F371-I397 HydrophobicContact CD1-CB 4.34Å; F371-I397 HydrophobicContact CD1-CD1 3.91Å; F371-I397 HydrophobicContact CD1-CG1 3.74Å; F371-I397 HydrophobicContact CD1-CG2 3.74Å; F371-I397 HydrophobicContact CD2-CD1 3.75Å; F371-I397 HydrophobicContact CD2-CG1 3.99Å; F371-I397 HydrophobicContact CE1-CB 4.41Å; F371-I397 HydrophobicContact CE1-CD1 4.47Å; F371-I397 HydrophobicContact CE1-CG1 3.83Å; F371-I397 HydrophobicContact CE1-CG2 4.09Å; F371-I397 HydrophobicContact CE2-CD1 4.32Å; F371-I397 HydrophobicContact CE2-CG1 4.07Å; F371-I397 HydrophobicContact CG-CD1 3.52Å; F371-I397 HydrophobicContact CG-CG1 3.82Å; F371-I397 HydrophobicContact CG-CG2 4.41Å; F371-I397 HydrophobicContact CZ-CG1 4.01Å; I395-I397 HydrophobicContact CG2-CD1 3.41Å; I395-I397 VanDerWaalsContact CG2-CD1 3.41Å; I395-I397 HydrophobicContact CG2-CG1 3.8Å; I397-H452 CarbonylContact O-C 3.43Å; I397-H452 WeakPolarHBondContact O-CA 3.3Å; I397-V453 PolarHBondContact N-O 3.23Å; I397-V453 PolarHBondContact O-N 2.78Å
398	P	97.3	Very high	93.8	Very high	69 Å²	69	56 Å²	56	45%	0.448	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	136.5	179.5	29.6	-34.9	0	0	0	111.5
399	V	98	Very high	94.7	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.042	28%	0.278	C	S	.	.			trans	-76.8	130.2	174.9	177.8	0	0	0	0	109.8	K401 I447 K448 P449 D451 V453	V399-K401 WeakPolarHBondContact CG1-O 3.23Å; V399-I447 HydrophobicContact CB-CD1 4.47Å; V399-I447 HydrophobicContact CG1-CB 4.49Å; V399-I447 HydrophobicContact CG1-CD1 3.93Å; V399-I447 HydrophobicContact CG1-CG1 3.94Å; V399-I447 HydrophobicContact CG2-CB 4.33Å; V399-I447 HydrophobicContact CG2-CD1 3.62Å; V399-I447 HydrophobicContact CG2-CG1 4.21Å; V399-K448 WeakPolarHBondContact CB-O 3.34Å; V399-K448 WeakPolarHBondContact CG1-O 3.32Å; V399-P449 WeakPolarHBondContact O-CA 3.42Å; V399-D451 HydrophobicContact CB-CB 4.41Å; V399-D451 WeakPolarHBondContact CB-O 3.46Å; V399-D451 HydrophobicContact CG2-CB 4.02Å; V399-D451 WeakPolarHBondContact CG2-O 3.07Å; V399-D451 PolarHBondContact N-O 3.49Å; V399-V453 HydrophobicContact CG2-CG2 3.9Å
400	I	97.6	Very high	95.4	Very high	79 Å²	79	48.5 Å²	48.5	41%	0.405	25%	0.246	S	C	.	.			trans	-103.4	-17.3	179.1	65.8	170.7	0	0	0	113	L367 E369	L367-I400 WeakPolarHBondContact O-CG1 2.94Å; L367-I400 PolarHBondContact O-N 3.49Å; E369-I400 HydrophobicContact CG-CD1 4.09Å; E369-I400 HydrophobicContact CG-CG2 4.14Å; E369-I400 WeakPolarHBondContact OE1-CD1 3.35Å
401	K	97.8	Very high	96.1	Very high	93 Å²	93	45.7 Å²	45.7	40%	0.404	23%	0.234	S	C	.	.	S	Bend	trans	-143	140.5	-174.3	-168	178.3	177.5	-176.1	0	110.8	L367 V399	L367-K401 PolarHBondContact O-N 3.14Å; V399-K401 WeakPolarHBondContact CG1-O 3.23Å
402	E	97.8	Very high	96.7	Very high	123 Å²	123	37.6 Å²	37.6	58%	0.575	20%	0.198	S	C	*	.			trans	-71.7	142.4	172.8	64.8	-176.5	-175.7	0	0	111.2	W446 I447	E402-W446 HydrophobicContact CB-CZ2 4.23Å; E402-I447 VanDerWaalsContact CA-O 3.28Å; E402-I447 WeakPolarHBondContact CA-O 3.5Å
403	G	97.8	Very high	97.2	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.2	-173.1	179.3	0	0	0	0	0	113.1	E309 I447	E309-G403 WeakPolarHBondContact OE2-CA 3.45Å; G403-I447 PolarHBondContact N-O 3.01Å; G403-I447 VanDerWaalsContact N-O 3.07Å; G403-I447 PolarHBondContact O-N 2.86Å
404	I	98	Very high	97.5	Very high	42 Å²	42	33.8 Å²	33.8	22%	0.215	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	120	179.5	-59.6	168.8	0	0	0	109.3	E309 D406 Y445 W446	E309-I404 VanDerWaalsContact CA-O 3.25Å; E309-I404 WeakPolarHBondContact CA-O 3.19Å; E309-I404 WeakPolarHBondContact CB-O 3.45Å; E309-I404 HydrophobicContact CG-CB 4.28Å; E309-I404 WeakPolarHBondContact CG-O 3.39Å; E309-I404 PolarHBondContact OE2-N 2.82Å; I404-D406 WeakPolarHBondContact CG2-OD1 3.32Å; I404-D406 PolarHBondContact O-N 2.88Å; I404-Y445 WeakPolarHBondContact CA-O 3.38Å; I404-W446 HydrophobicContact CG1-CE3 3.85Å; I404-W446 HydrophobicContact CG1-CZ3 4.18Å
405	L	98.1	Very high	97.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.156	C	C	.	.			trans	-70	111.1	176.1	-176.9	57.7	0	0	0	110.6	A307 R318 L367 I408 V439 L442 Y445 I447 V453 I469 V471	A307-L405 HydrophobicContact CB-CD1 3.8Å; R318-L405 PolarHBondContact NH2-O 3.24Å; L367-L405 HydrophobicContact CD1-CB 4.39Å; L367-L405 HydrophobicContact CD1-CD1 4.26Å; L405-I408 HydrophobicContact CD1-CD1 4.44Å; L405-V439 HydrophobicContact CD1-CG2 4.2Å; L405-V439 HydrophobicContact CD2-CG1 4.04Å; L405-V439 HydrophobicContact CD2-CG2 4.17Å; L405-V439 HydrophobicContact CG-CB 4.14Å; L405-V439 HydrophobicContact CG-CG1 4.09Å; L405-V439 HydrophobicContact CG-CG2 3.85Å; L405-L442 HydrophobicContact CD2-CD1 4.17Å; L405-Y445 PolarHBondContact N-O 3.2Å; L405-I447 HydrophobicContact CB-CD1 4.23Å; L405-I447 HydrophobicContact CB-CG2 4.19Å; L405-V453 HydrophobicContact CD2-CG1 4.21Å; L405-V453 HydrophobicContact CD2-CG2 4.31Å; L405-I469 HydrophobicContact CD2-CG2 4.31Å; L405-V471 HydrophobicContact CD2-CG2 4Å
406	D	97.8	Very high	97.9	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.15	C	C	.	.			trans	-108.8	-39.2	-177.5	-68.7	-39.3	0	0	0	113	V308 C310 R314 R318 I404 V439	V308-D406 PolarHBondContact O-N 3.03Å; C310-D406 VanDerWaalsContact C-OD2 3.3Å; C310-D406 PolarHBondContact N-OD2 2.83Å; R314-D406 HydrophobicContact CB-CB 4.5Å; R314-D406 WeakPolarHBondContact CB-OD1 3.16Å; R314-D406 WeakPolarHBondContact CG-OD1 3.15Å; R314-D406 IonicContact CZ-OD1 2.7Å; R314-D406 IonicContact CZ-OD2 3.84Å; R314-D406 IonicContact NE-OD1 3.18Å; R314-D406 PolarHBondContact NE-OD1 3.42Å; R314-D406 IonicContact NE-OD2 3.58Å; R314-D406 PolarHBondContact NE-OD2 2.86Å; R314-D406 IonicContact NH2-OD1 3.31Å; R314-D406 IonicContact NH2-OD2 3.44Å; R314-D406 PolarHBondContact NH2-OD2 3.49Å; R318-D406 IonicContact CZ-OD1 2.66Å; R318-D406 IonicContact NH1-OD1 2.71Å; R318-D406 IonicContact NH2-OD1 3.3Å; R318-D406 PolarHBondContact NH2-OD1 2.97Å; I404-D406 WeakPolarHBondContact CG2-OD1 3.32Å; I404-D406 PolarHBondContact O-N 2.88Å; D406-V439 PolarHBondContact O-N 3.07Å
407	A	97.8	Very high	97.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	163.9	-179.7	0	0	0	0	0	112.9	V308 I313 V436 Y437	V308-A407 HydrophobicContact CG2-CB 4.08Å; V308-A407 PolarHBondContact N-O 3.16Å; V308-A407 PolarHBondContact O-N 3.22Å; I313-A407 HydrophobicContact CG2-CB 4.1Å; A407-V436 HydrophobicContact CB-CG1 3.63Å; A407-Y437 CarbonylContact C-O 3.52Å; A407-Y437 VanDerWaalsContact CA-O 3.22Å; A407-Y437 WeakPolarHBondContact CA-O 3.34Å; A407-Y437 WeakPolarHBondContact CB-O 3.46Å
408	I	98.1	Very high	97.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	113.7	157.1	-48.8	-56.8	0	0	0	107.6	A307 F371 L405 V410 Y437 V453 M455 I466 I469	A307-I408 HydrophobicContact CB-CD1 3.75Å; F371-I408 HydrophobicContact CZ-CG2 4.19Å; L405-I408 HydrophobicContact CD1-CD1 4.44Å; I408-V410 HydrophobicContact CG2-CG2 4.09Å; I408-Y437 PolarHBondContact N-O 2.81Å; I408-Y437 PolarHBondContact O-N 2.83Å; I408-V453 HydrophobicContact CD1-CG1 4.26Å; I408-M455 HydrophobicContact CD1-CE 3.76Å; I408-M455 HydrophobicContact CG1-CE 4.1Å; I408-I466 HydrophobicContact CB-CD1 4.37Å; I408-I466 HydrophobicContact CG1-CG2 4.46Å; I408-I466 HydrophobicContact CG2-CD1 3.88Å; I408-I469 HydrophobicContact CG1-CD1 3.85Å
409	M	98.2	Very high	97.7	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	129.1	174.3	179.7	-179.1	70	0	0	109.1	G305 M306 V308 M357 Y364 W411 P426 Q434	G305-M409 CarbonylContact C-O 3.58Å; G305-M409 WeakPolarHBondContact CA-O 3.33Å; M306-M409 HydrophobicContact CB-CE 4.23Å; M306-M409 PolarHBondContact N-O 2.84Å; M306-M409 PolarHBondContact O-N 2.87Å; M306-M409 HydrophobicContact SD-CE 3.98Å; V308-M409 HydrophobicContact CG1-CB 4.17Å; V308-M409 HydrophobicContact CG1-CE 4.32Å; V308-M409 HydrophobicContact CG2-CB 4.29Å; M357-M409 HydrophobicContact CB-SD 3.69Å; M357-M409 HydrophobicContact CE-CG 4.42Å; M357-M409 HydrophobicContact CE-SD 3.79Å; M357-M409 HydrophobicContact CG-CG 4.03Å; M357-M409 HydrophobicContact CG-SD 3.59Å; M357-M409 VanDerWaalsContact CG-SD 3.59Å; M357-M409 HydrophobicContact SD-SD 4.5Å; Y364-M409 HydrophobicContact CE1-SD 4.48Å; Y364-M409 HydrophobicContact CE2-CE 3.89Å; Y364-M409 HydrophobicContact CE2-SD 4.28Å; M409-W411 HydrophobicContact CE-CE3 4.12Å; M409-W411 HydrophobicContact CE-CH2 4.46Å; M409-W411 HydrophobicContact CE-CZ3 3.65Å; M409-W411 HydrophobicContact CG-CE3 4.42Å; M409-P426 HydrophobicContact CE-CG 3.66Å; M409-P426 HydrophobicContact SD-CG 3.87Å; M409-Q434 HydrophobicContact CG-CB 4.23Å; M409-Q434 HydrophobicContact CG-CG 4.48Å
410	V	98.4	Very high	97.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	138.8	-173.9	176.4	0	0	0	0	110.9	I303 F304 I373 I408 Q434 A435 Y437 L464 I466	I303-V410 HydrophobicContact CG2-CG1 3.56Å; F304-V410 VanDerWaalsContact O-CA 3.32Å; F304-V410 WeakPolarHBondContact O-CA 3.45Å; F304-V410 WeakPolarHBondContact O-CG1 3.47Å; I373-V410 HydrophobicContact CD1-CG1 4.17Å; I373-V410 HydrophobicContact CD1-CG2 3.78Å; I408-V410 HydrophobicContact CG2-CG2 4.09Å; V410-Q434 WeakPolarHBondContact O-CB 3.12Å; V410-A435 HydrophobicContact CB-CB 4.16Å; V410-A435 PolarHBondContact N-O 2.77Å; V410-A435 PolarHBondContact O-N 2.86Å; V410-Y437 HydrophobicContact CB-CD2 4.4Å; V410-Y437 HydrophobicContact CB-CE2 4.01Å; V410-Y437 HydrophobicContact CG2-CD2 3.7Å; V410-Y437 HydrophobicContact CG2-CE2 3.58Å; V410-L464 HydrophobicContact CG1-CD2 3.82Å; V410-I466 HydrophobicContact CG2-CD1 3.65Å
411	W	98.5	Very high	97.7	Very high	16 Å²	16	36.5 Å²	36.5	6%	0.061	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	175.5	172.9	68.6	92.9	0	0	0	109.6	F304 M306 C370 M409 T424 S425 Q434	F304-W411 HydrophobicContact CB-CD2 4.05Å; F304-W411 HydrophobicContact CB-CG 4.46Å; F304-W411 HydrophobicContact CB-CH2 4.36Å; F304-W411 HydrophobicContact CB-CZ2 3.78Å; F304-W411 AromaticContact CD2-NE1 3.9Å; F304-W411 PolarHBondContact N-O 2.92Å; F304-W411 PolarHBondContact O-N 3.08Å; F304-W411 VanDerWaalsContact O-N 3.08Å; M306-W411 HydrophobicContact CB-CH2 3.99Å; M306-W411 HydrophobicContact CB-CZ3 3.81Å; M306-W411 HydrophobicContact CE-CH2 4.27Å; C370-W411 HydrophobicContact CB-CH2 4.22Å; C370-W411 HydrophobicContact CB-CZ2 4.25Å; C370-W411 WeakPolarHBondContact SG-CZ2 3.43Å; M409-W411 HydrophobicContact CE-CE3 4.12Å; M409-W411 HydrophobicContact CE-CH2 4.46Å; M409-W411 HydrophobicContact CE-CZ3 3.65Å; M409-W411 HydrophobicContact CG-CE3 4.42Å; W411-T424 WeakPolarHBondContact CB-O 3.32Å; W411-S425 VanDerWaalsContact CD1-CA 3.45Å; W411-Q434 HydrophobicContact CB-CG 4.25Å
412	F	98.2	Very high	97.6	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	165.4	-179.5	59.7	-91.1	0	0	0	112.8	V257 D258 A259 L261 V302 I303 L414 T424	V257-F412 HydrophobicContact CG2-CZ 4.35Å; D258-F412 WeakPolarHBondContact O-CE1 3.22Å; D258-F412 WeakPolarHBondContact O-CZ 3.3Å; A259-F412 WeakPolarHBondContact O-CE1 3.2Å; L261-F412 HydrophobicContact CB-CD1 3.89Å; L261-F412 HydrophobicContact CB-CE1 4.15Å; L261-F412 HydrophobicContact CB-CG 4.2Å; L261-F412 HydrophobicContact CD1-CD2 3.94Å; L261-F412 HydrophobicContact CD1-CE2 3.95Å; L261-F412 HydrophobicContact CD1-CG 4.23Å; L261-F412 HydrophobicContact CD1-CZ 4.24Å; V302-F412 CarbonylContact O-C 3.51Å; V302-F412 WeakPolarHBondContact O-CA 3.24Å; V302-F412 WeakPolarHBondContact O-CB 3.31Å; I303-F412 HydrophobicContact CG1-CB 4.16Å; F412-L414 HydrophobicContact CD2-CD2 3.87Å; F412-L414 HydrophobicContact CD2-CG 3.77Å; F412-L414 HydrophobicContact CE2-CD1 3.91Å; F412-L414 HydrophobicContact CE2-CD2 3.87Å; F412-L414 HydrophobicContact CE2-CG 3.58Å; F412-T424 HydrophobicContact CD1-CG2 4.44Å; F412-T424 WeakPolarHBondContact CD1-OG1 3.35Å; F412-T424 HydrophobicContact CD2-CG2 4.27Å; F412-T424 HydrophobicContact CE1-CG2 3.93Å; F412-T424 HydrophobicContact CE2-CG2 3.74Å; F412-T424 HydrophobicContact CZ-CG2 3.57Å; F412-T424 PolarHBondContact N-OG1 2.52Å; F412-T424 PolarHBondContact O-N 2.82Å; F412-T424 PolarHBondContact O-OG1 3.35Å
413	V	98.4	Very high	97.6	Very high	30 Å²	30	28 Å²	28	18%	0.182	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	119.3	169.1	178.8	0	0	0	0	108.2	A301 V302 F304 L422	A301-V413 CarbonylContact C-O 3.51Å; A301-V413 VanDerWaalsContact CA-O 3.23Å; A301-V413 WeakPolarHBondContact CA-O 3.28Å; V302-V413 PolarHBondContact N-O 3.14Å; V302-V413 PolarHBondContact O-N 2.91Å; F304-V413 HydrophobicContact CD2-CG2 4.21Å; F304-V413 HydrophobicContact CE2-CB 4.18Å; F304-V413 HydrophobicContact CE2-CG2 3.68Å; V413-L422 CarbonylContact C-O 3.57Å; V413-L422 VanDerWaalsContact CA-O 3.24Å; V413-L422 WeakPolarHBondContact CA-O 3.34Å
414	L	98.1	Very high	97.5	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.026	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.3	169.5	-64.2	177.5	0	0	0	109.3	V257 L261 P298 A301 F378 F412 L416 S421 L422	V257-L414 HydrophobicContact CG2-CD1 4.4Å; L261-L414 HydrophobicContact CD1-CD2 3.62Å; P298-L414 HydrophobicContact CB-CB 4.27Å; P298-L414 HydrophobicContact CB-CD2 4.19Å; P298-L414 HydrophobicContact CG-CB 4.34Å; P298-L414 HydrophobicContact CG-CD1 3.89Å; P298-L414 HydrophobicContact CG-CD2 4.06Å; P298-L414 HydrophobicContact CG-CG 4.32Å; A301-L414 HydrophobicContact CB-CD2 3.8Å; F378-L414 HydrophobicContact CE2-CD2 4.36Å; F412-L414 HydrophobicContact CD2-CD2 3.87Å; F412-L414 HydrophobicContact CD2-CG 3.77Å; F412-L414 HydrophobicContact CE2-CD1 3.91Å; F412-L414 HydrophobicContact CE2-CD2 3.87Å; F412-L414 HydrophobicContact CE2-CG 3.58Å; L414-L416 HydrophobicContact CB-CD2 4.18Å; L414-S421 CarbonylContact O-C 3.59Å; L414-S421 WeakPolarHBondContact O-CA 3.4Å; L414-S421 VanDerWaalsContact O-CB 3.27Å; L414-S421 WeakPolarHBondContact O-CB 3.31Å; L414-L422 HydrophobicContact CB-CB 4.42Å; L414-L422 PolarHBondContact N-O 3.47Å; L414-L422 PolarHBondContact O-N 2.94Å
415	Q	98.4	Very high	97.5	Very high	59 Å²	59	26.8 Å²	26.8	28%	0.276	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	108.8	167.2	-161.5	66.4	43.5	0	0	108	A299 S300 D417 H420	A299-Q415 WeakPolarHBondContact CA-O 3.35Å; A299-Q415 WeakPolarHBondContact CB-O 3.48Å; A299-Q415 PolarHBondContact N-O 2.68Å; S300-Q415 PolarHBondContact N-O 3.08Å; S300-Q415 PolarHBondContact O-N 3.33Å; S300-Q415 WeakPolarHBondContact OG-CB 3.37Å; Q415-D417 WeakPolarHBondContact CG-O 3.2Å; Q415-D417 PolarHBondContact NE2-O 2.73Å; Q415-H420 PolarHBondContact NE2-O 2.94Å
416	L	98.2	Very high	97.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.145	C	C	.	.			trans	-76.9	-41.5	-179.6	-56.1	-167.1	0	0	0	111.3	I165 Y166 A169 I297 P298 L414 H420 L422	I165-L416 HydrophobicContact CG2-CD1 3.82Å; Y166-L416 HydrophobicContact CD1-CD1 3.99Å; Y166-L416 HydrophobicContact CD2-CD1 4.24Å; Y166-L416 HydrophobicContact CE1-CD1 4.2Å; Y166-L416 HydrophobicContact CE1-CD2 4.09Å; Y166-L416 HydrophobicContact CE2-CD1 4.42Å; Y166-L416 HydrophobicContact CG-CD1 4.01Å; A169-L416 HydrophobicContact CB-CB 3.76Å; A169-L416 HydrophobicContact CB-CD1 4Å; I297-L416 HydrophobicContact CG2-CB 4.12Å; I297-L416 HydrophobicContact CG2-CD2 4.18Å; P298-L416 HydrophobicContact CB-CD2 3.86Å; P298-L416 HydrophobicContact CG-CD2 3.8Å; L414-L416 HydrophobicContact CB-CD2 4.18Å; L416-H420 HydrophobicContact CB-CB 4.28Å; L416-H420 PolarHBondContact N-O 3.17Å; L416-L422 HydrophobicContact CD1-CD1 4.18Å; L416-L422 HydrophobicContact CD1-CG 4.46Å; L416-L422 HydrophobicContact CD2-CD1 4.5Å
417	D	96.8	Very high	97	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.032	18%	0.181	C	C	.	.	S	Bend	trans	-155.7	-171.2	170.7	66	38.2	0	0	0	109.9	A169 Q415 E419 H420	A169-D417 WeakPolarHBondContact CA-OD2 3.37Å; Q415-D417 WeakPolarHBondContact CG-O 3.2Å; Q415-D417 PolarHBondContact NE2-O 2.73Å; D417-E419 PolarHBondContact O-N 3.24Å; D417-E419 WeakPolarHBondContact OD1-CA 3.33Å; D417-E419 PolarHBondContact OD1-N 3.46Å; D417-H420 VanDerWaalsContact CG-ND1 3.26Å; D417-H420 PolarHBondContact N-O 2.75Å; D417-H420 IonicContact OD1-CE1 2.66Å; D417-H420 IonicContact OD1-CG 2.81Å; D417-H420 PolarHBondContact OD1-N 2.77Å; D417-H420 IonicContact OD1-ND1 3.86Å; D417-H420 PolarHBondContact OD1-ND1 2.93Å; D417-H420 IonicContact OD2-CE1 3.08Å; D417-H420 IonicContact OD2-CG 2.6Å; D417-H420 IonicContact OD2-ND1 2.76Å; D417-H420 PolarHBondContact OD2-ND1 2.84Å
418	D	93.8	Very high	96.6	Very high	150 Å²	150	35.9 Å²	35.9	80%	0.802	20%	0.197	S	C	*	.	S	Bend	trans	-62.7	-14.8	-176.2	-51.9	-33.2	0	0	0	115.3
419	E	96.1	Very high	95.9	Very high	138 Å²	138	44.7 Å²	44.7	65%	0.645	24%	0.238	S	C	*	.	S	Bend	trans	-117.7	-23.5	-175.9	-75.7	164	-153.9	0	0	113.3	K172 D417	K172-E419 IonicContact NZ-OE1 3.91Å; K172-E419 PolarHBondContact NZ-OE1 2.71Å; K172-E419 IonicContact NZ-OE2 3.01Å; K172-E419 PolarHBondContact NZ-OE2 3.35Å; D417-E419 PolarHBondContact O-N 3.24Å; D417-E419 WeakPolarHBondContact OD1-CA 3.33Å; D417-E419 PolarHBondContact OD1-N 3.46Å
420	H	98.1	Very high	95.2	Very high	43 Å²	43	45.6 Å²	45.6	20%	0.199	24%	0.244	C	C	.	.			trans	-116.7	127.1	-170.1	-57.9	98.3	0	0	0	111.5	I165 A169 Q415 L416 D417	I165-H420 HydrophobicContact CG2-CB 3.97Å; A169-H420 HydrophobicContact CB-CB 4.26Å; Q415-H420 PolarHBondContact NE2-O 2.94Å; L416-H420 HydrophobicContact CB-CB 4.28Å; L416-H420 PolarHBondContact N-O 3.17Å; D417-H420 VanDerWaalsContact CG-ND1 3.26Å; D417-H420 PolarHBondContact N-O 2.75Å; D417-H420 IonicContact OD1-CE1 2.66Å; D417-H420 IonicContact OD1-CG 2.81Å; D417-H420 PolarHBondContact OD1-N 2.77Å; D417-H420 IonicContact OD1-ND1 3.86Å; D417-H420 PolarHBondContact OD1-ND1 2.93Å; D417-H420 IonicContact OD2-CE1 3.08Å; D417-H420 IonicContact OD2-CG 2.6Å; D417-H420 IonicContact OD2-ND1 2.76Å; D417-H420 PolarHBondContact OD2-ND1 2.84Å
421	S	97.4	Very high	94.4	Very high	54 Å²	54	46.4 Å²	46.4	38%	0.378	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	157.3	174.7	60.6	0	0	0	0	112.8	L414	L414-S421 CarbonylContact O-C 3.59Å; L414-S421 WeakPolarHBondContact O-CA 3.4Å; L414-S421 VanDerWaalsContact O-CB 3.27Å; L414-S421 WeakPolarHBondContact O-CB 3.31Å
422	L	96.8	Very high	93.9	Very high	23 Å²	23	47.5 Å²	47.5	12%	0.12	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.1	174.4	-68.6	173.1	0	0	0	109.1	R162 I165 Y166 V413 L414 L416	R162-L422 HydrophobicContact CG-CD1 4.14Å; I165-L422 HydrophobicContact CB-CD2 3.98Å; I165-L422 HydrophobicContact CD1-CD2 3.62Å; I165-L422 HydrophobicContact CG1-CD2 4.39Å; I165-L422 HydrophobicContact CG2-CD2 3.93Å; I165-L422 HydrophobicContact CG2-CG 4.06Å; Y166-L422 HydrophobicContact CD2-CD1 3.61Å; Y166-L422 HydrophobicContact CE2-CD1 3.34Å; V413-L422 CarbonylContact C-O 3.57Å; V413-L422 VanDerWaalsContact CA-O 3.24Å; V413-L422 WeakPolarHBondContact CA-O 3.34Å; L414-L422 HydrophobicContact CB-CB 4.42Å; L414-L422 PolarHBondContact N-O 3.47Å; L414-L422 PolarHBondContact O-N 2.94Å; L416-L422 HydrophobicContact CD1-CD1 4.18Å; L416-L422 HydrophobicContact CD1-CG 4.46Å; L416-L422 HydrophobicContact CD2-CD1 4.5Å
423	S	96.8	Very high	93.7	Very high	16 Å²	16	51.3 Å²	51.3	11%	0.112	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	136.9	-176.7	167.5	0	0	0	0	109.4	S425 E428 T430	S423-S425 VanDerWaalsContact C-N 3.35Å; S423-S425 WeakPolarHBondContact OG-CB 3.37Å; S423-S425 PolarHBondContact OG-N 2.79Å; S423-E428 WeakPolarHBondContact CB-OE1 3.38Å; S423-E428 PolarHBondContact OG-OE1 2.67Å; S423-T430 PolarHBondContact O-OG1 3.38Å
424	T	96.6	Very high	93.7	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.018	26%	0.263	C	S	.	.			trans	-100.5	18.2	172.9	61.6	0	0	0	0	111.6	W411 F412 W432 Q434	W411-T424 WeakPolarHBondContact CB-O 3.32Å; F412-T424 HydrophobicContact CD1-CG2 4.44Å; F412-T424 WeakPolarHBondContact CD1-OG1 3.35Å; F412-T424 HydrophobicContact CD2-CG2 4.27Å; F412-T424 HydrophobicContact CE1-CG2 3.93Å; F412-T424 HydrophobicContact CE2-CG2 3.74Å; F412-T424 HydrophobicContact CZ-CG2 3.57Å; F412-T424 PolarHBondContact N-OG1 2.52Å; F412-T424 PolarHBondContact O-N 2.82Å; F412-T424 PolarHBondContact O-OG1 3.35Å; T424-W432 HydrophobicContact CG2-CB 3.47Å; T424-W432 VanDerWaalsContact CG2-CB 3.47Å; T424-W432 HydrophobicContact CG2-CD2 4.09Å; T424-W432 HydrophobicContact CG2-CG 3.4Å; T424-Q434 PolarHBondContact O-NE2 2.89Å
425	S	96.7	Very high	93.6	Very high	15 Å²	15	49.7 Å²	49.7	11%	0.105	26%	0.262	C	S	.	.			trans	-59.2	139.5	177.6	-174.9	0	0	0	0	111.5	W411 S423 S427 E428	W411-S425 VanDerWaalsContact CD1-CA 3.45Å; S423-S425 VanDerWaalsContact C-N 3.35Å; S423-S425 WeakPolarHBondContact OG-CB 3.37Å; S423-S425 PolarHBondContact OG-N 2.79Å; S425-S427 PolarHBondContact O-N 2.88Å; S425-S427 VanDerWaalsContact O-N 3.1Å; S425-S427 PolarHBondContact OG-N 2.62Å; S425-E428 PolarHBondContact O-N 2.82Å
426	P	93.8	Very high	93.5	Very high	11 Å²	11	46.9 Å²	46.9	7%	0.071	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-12.6	174.1	29.2	-37.3	0	0	0	113.2	M357 Y364 M409 E428 Q434	M357-P426 HydrophobicContact CB-CB 4.03Å; Y364-P426 WeakPolarHBondContact OH-CG 3.28Å; M409-P426 HydrophobicContact CE-CG 3.66Å; M409-P426 HydrophobicContact SD-CG 3.87Å; P426-E428 VanDerWaalsContact C-N 3.26Å; P426-Q434 HydrophobicContact CB-CG 4.31Å; P426-Q434 HydrophobicContact CG-CG 4.41Å
427	S	91.8	Very high	93.4	Very high	107 Å²	107	47.1 Å²	47.1	75%	0.748	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-10.4	174.8	-53.6	0	0	0	0	113	S425	S425-S427 PolarHBondContact O-N 2.88Å; S425-S427 VanDerWaalsContact O-N 3.1Å; S425-S427 PolarHBondContact OG-N 2.62Å
428	E	90.2	Very high	93.3	Very high	73 Å²	73	47.5 Å²	47.5	34%	0.341	25%	0.253	S	S	.	.	S	Bend	trans	-106.3	151.2	-179.7	-68.7	-167.9	-136.7	0	0	112.1	K161 S423 S425 P426 T430	K161-E428 IonicContact NZ-OE2 3.96Å; K161-E428 PolarHBondContact NZ-OE2 3.15Å; S423-E428 WeakPolarHBondContact CB-OE1 3.38Å; S423-E428 PolarHBondContact OG-OE1 2.67Å; S425-E428 PolarHBondContact O-N 2.82Å; P426-E428 VanDerWaalsContact C-N 3.26Å; E428-T430 PolarHBondContact O-N 2.76Å; E428-T430 VanDerWaalsContact O-N 3.08Å
429	E	83.5	Confident	93.3	Very high	185 Å²	185	40.5 Å²	40.5	86%	0.864	22%	0.215	S	C	*	.			trans	-74.6	97.1	164.9	-169.2	174	-165.8	0	0	108.1
430	T	82.6	Confident	92.8	Very high	21 Å²	21	35 Å²	35	13%	0.129	19%	0.189	C	C	.	.			trans	-128.1	152.9	-175.9	-175.7	0	0	0	0	110.1	K356 S423 E428 W432	K356-T430 PolarHBondContact NZ-O 3.21Å; S423-T430 PolarHBondContact O-OG1 3.38Å; E428-T430 PolarHBondContact O-N 2.76Å; E428-T430 VanDerWaalsContact O-N 3.08Å; T430-W432 VanDerWaalsContact C-N 3.29Å; T430-W432 HydrophobicContact CG2-CB 4.43Å; T430-W432 PolarHBondContact OG1-N 2.84Å
431	C	82.4	Confident	92.1	Very high	18 Å²	18	36.3 Å²	36.3	12%	0.122	20%	0.198	C	C	.	.	S	Bend	trans	-72.3	-24.1	169	58	0	0	0	0	112.7	I155 M156 D159 K356	I155-C431 HydrophobicContact CB-CB 4.37Å; I155-C431 HydrophobicContact CG2-CB 3.57Å; M156-C431 HydrophobicContact CG-CB 4.43Å; D159-C431 HydrophobicContact CB-CB 4.19Å; D159-C431 PolarHBondContact OD2-SG 3.31Å; K356-C431 VanDerWaalsContact NZ-C 3.3Å; K356-C431 PolarHBondContact NZ-O 3.09Å; K356-C431 VanDerWaalsContact NZ-O 3.14Å
432	W	88.2	Confident	91.6	Very high	39 Å²	39	35.2 Å²	35.2	15%	0.148	19%	0.188	C	C	.	.			trans	-76	147.4	-171.6	-65.7	92.6	0	0	0	115.1	M156 E255 V257 K356 T424 T430 Q434	M156-W432 HydrophobicContact SD-CH2 3.82Å; M156-W432 HydrophobicContact SD-CZ2 3.38Å; M156-W432 WeakPolarHBondContact SD-CZ2 3.36Å; E255-W432 VanDerWaalsContact OE1-CH2 3.29Å; E255-W432 WeakPolarHBondContact OE1-CH2 3.49Å; E255-W432 WeakPolarHBondContact OE1-CZ2 3.4Å; V257-W432 HydrophobicContact CG2-CH2 3.81Å; V257-W432 HydrophobicContact CG2-CZ2 4.11Å; V257-W432 HydrophobicContact CG2-CZ3 4.42Å; V257-W432 WeakPolarHBondContact O-CH2 3.37Å; V257-W432 WeakPolarHBondContact O-CZ3 3.26Å; K356-W432 PolarHBondContact NZ-O 2.89Å; T424-W432 HydrophobicContact CG2-CB 3.47Å; T424-W432 VanDerWaalsContact CG2-CB 3.47Å; T424-W432 HydrophobicContact CG2-CD2 4.09Å; T424-W432 HydrophobicContact CG2-CG 3.4Å; T430-W432 VanDerWaalsContact C-N 3.29Å; T430-W432 HydrophobicContact CG2-CB 4.43Å; T430-W432 PolarHBondContact OG1-N 2.84Å; W432-Q434 PolarHBondContact O-NE2 2.84Å
433	E	93.4	Very high	91	Very high	81 Å²	81	41.7 Å²	41.7	38%	0.379	23%	0.228	S	C	.	.			trans	-84.8	169.8	165	-66.9	179.2	166.4	0	0	110.7	T354 K356	T354-E433 VanDerWaalsContact CB-OE2 3.23Å; T354-E433 WeakPolarHBondContact CB-OE2 3.37Å; T354-E433 PolarHBondContact OG1-OE2 2.59Å; K356-E433 HydrophobicContact CB-CG 4.42Å; K356-E433 HydrophobicContact CD-CG 4.26Å
434	Q	97.3	Very high	90.7	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	143.1	176.2	-70.5	67.6	64.7	0	0	108.9	T354 E355 M357 M409 V410 W411 T424 P426 W432	T354-Q434 WeakPolarHBondContact CA-O 3.45Å; E355-Q434 PolarHBondContact N-O 2.72Å; E355-Q434 PolarHBondContact O-N 3Å; E355-Q434 PolarHBondContact O-OE1 2.78Å; M357-Q434 HydrophobicContact CB-CG 4.43Å; M357-Q434 HydrophobicContact CG-CB 3.88Å; M357-Q434 HydrophobicContact CG-CG 4.25Å; M409-Q434 HydrophobicContact CG-CB 4.23Å; M409-Q434 HydrophobicContact CG-CG 4.48Å; V410-Q434 WeakPolarHBondContact O-CB 3.12Å; W411-Q434 HydrophobicContact CB-CG 4.25Å; T424-Q434 PolarHBondContact O-NE2 2.89Å; P426-Q434 HydrophobicContact CB-CG 4.31Å; P426-Q434 HydrophobicContact CG-CG 4.41Å; W432-Q434 PolarHBondContact O-NE2 2.84Å
435	A	96.9	Very high	90.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	132	170.4	0	0	0	0	0	109.3	A259 Y352 V410 Y437	A259-A435 HydrophobicContact CB-CB 4.39Å; Y352-A435 HydrophobicContact CD1-CB 4.4Å; Y352-A435 HydrophobicContact CD2-CB 3.66Å; Y352-A435 HydrophobicContact CE2-CB 4.02Å; Y352-A435 HydrophobicContact CG-CB 3.87Å; V410-A435 HydrophobicContact CB-CB 4.16Å; V410-A435 PolarHBondContact N-O 2.77Å; V410-A435 PolarHBondContact O-N 2.86Å; A435-Y437 HydrophobicContact CB-CE2 4.22Å
436	V	97	Very high	90.6	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	119.1	-177.6	-179.5	0	0	0	0	108.8	I313 Y352 T353 E355 M357 A407 P438	I313-V436 HydrophobicContact CD1-CG1 4.18Å; I313-V436 HydrophobicContact CG1-CG1 4.27Å; I313-V436 HydrophobicContact CG2-CG1 3.95Å; Y352-V436 WeakPolarHBondContact CA-O 3.18Å; Y352-V436 WeakPolarHBondContact CB-O 3.44Å; T353-V436 PolarHBondContact N-O 3.08Å; T353-V436 PolarHBondContact O-N 2.86Å; E355-V436 HydrophobicContact CB-CG2 3.89Å; E355-V436 HydrophobicContact CG-CG2 4.24Å; M357-V436 HydrophobicContact CG-CG2 4.34Å; M357-V436 HydrophobicContact SD-CG2 3.9Å; A407-V436 HydrophobicContact CB-CG1 3.63Å; V436-P438 VanDerWaalsContact O-CD 3.31Å; V436-P438 WeakPolarHBondContact O-CD 3.25Å
437	Y	95.9	Very high	90.7	Very high	5 Å²	5	52.7 Å²	52.7	2%	0.02	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	100.5	174.3	-63.9	-97.5	0	0	0	108.6	P351 Y352 A407 I408 V410 A435 V439 L464 I466	P351-Y437 HydrophobicContact CB-CE1 4.26Å; P351-Y437 HydrophobicContact CG-CE1 4.45Å; P351-Y437 WeakPolarHBondContact O-CD1 3.4Å; Y352-Y437 AromaticContact CD1-CE1 3.67Å; Y352-Y437 HydrophobicContact CD1-CE1 3.67Å; Y352-Y437 HydrophobicContact CD1-CE2 4.08Å; Y352-Y437 AromaticContact CD1-CZ 3.37Å; Y352-Y437 WeakPolarHBondContact CD1-OH 3.46Å; Y352-Y437 WeakPolarHBondContact CE1-OH 3.38Å; Y352-Y437 HydrophobicContact CG-CE1 4.34Å; Y352-Y437 HydrophobicContact CG-CE2 4.36Å; A407-Y437 CarbonylContact C-O 3.52Å; A407-Y437 VanDerWaalsContact CA-O 3.22Å; A407-Y437 WeakPolarHBondContact CA-O 3.34Å; A407-Y437 WeakPolarHBondContact CB-O 3.46Å; I408-Y437 PolarHBondContact N-O 2.81Å; I408-Y437 PolarHBondContact O-N 2.83Å; V410-Y437 HydrophobicContact CB-CD2 4.4Å; V410-Y437 HydrophobicContact CB-CE2 4.01Å; V410-Y437 HydrophobicContact CG2-CD2 3.7Å; V410-Y437 HydrophobicContact CG2-CE2 3.58Å; A435-Y437 HydrophobicContact CB-CE2 4.22Å; Y437-V439 PolarHBondContact O-N 2.94Å; Y437-L464 WeakPolarHBondContact OH-CB 3.4Å; Y437-L464 WeakPolarHBondContact OH-CD2 3.26Å; Y437-L464 VanDerWaalsContact OH-CG 3.31Å; Y437-L464 WeakPolarHBondContact OH-CG 3.49Å; Y437-L464 PolarHBondContact OH-O 3.32Å; Y437-I466 HydrophobicContact CD1-CB 3.8Å; Y437-I466 HydrophobicContact CD1-CG1 4.17Å; Y437-I466 HydrophobicContact CD2-CB 4.44Å; Y437-I466 HydrophobicContact CD2-CD1 3.78Å; Y437-I466 HydrophobicContact CD2-CG1 4.19Å; Y437-I466 HydrophobicContact CE1-CB 4.07Å; Y437-I466 HydrophobicContact CE1-CG1 4.06Å; Y437-I466 HydrophobicContact CE2-CD1 3.86Å; Y437-I466 HydrophobicContact CE2-CG1 4.09Å; Y437-I466 HydrophobicContact CG-CB 3.98Å; Y437-I466 HydrophobicContact CG-CD1 4.17Å; Y437-I466 HydrophobicContact CG-CG1 4.22Å
438	P	94.9	Very high	90.9	Very high	14 Å²	14	51.9 Å²	51.9	9%	0.091	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	134.7	-177.3	-16.5	31.9	0	0	0	110.5	I313 H317 A339 V436	I313-P438 HydrophobicContact CG2-CB 4.39Å; H317-P438 HydrophobicContact CB-CB 3.7Å; H317-P438 HydrophobicContact CB-CG 4.22Å; H317-P438 WeakPolarHBondContact ND1-CG 3.42Å; A339-P438 HydrophobicContact CB-CG 4.13Å; V436-P438 VanDerWaalsContact O-CD 3.31Å; V436-P438 WeakPolarHBondContact O-CD 3.25Å
439	V	93.8	Very high	91.2	Very high	2 Å²	2	52 Å²	52	1%	0.012	26%	0.261	C	S	.	.			trans	-85.6	120.3	175.6	-178.4	0	0	0	0	109.3	R318 L405 D406 Y437 L442 Y445 I469	R318-V439 PolarHBondContact NH2-O 2.89Å; L405-V439 HydrophobicContact CD1-CG2 4.2Å; L405-V439 HydrophobicContact CD2-CG1 4.04Å; L405-V439 HydrophobicContact CD2-CG2 4.17Å; L405-V439 HydrophobicContact CG-CB 4.14Å; L405-V439 HydrophobicContact CG-CG1 4.09Å; L405-V439 HydrophobicContact CG-CG2 3.85Å; D406-V439 PolarHBondContact O-N 3.07Å; Y437-V439 PolarHBondContact O-N 2.94Å; V439-L442 HydrophobicContact CG1-CD1 3.5Å; V439-L442 HydrophobicContact CG1-CG 3.91Å; V439-Y445 HydrophobicContact CG1-CD1 4.28Å; V439-Y445 HydrophobicContact CG1-CE1 4.2Å; V439-Y445 WeakPolarHBondContact O-CE1 3.36Å; V439-I469 HydrophobicContact CG1-CG2 4.09Å; V439-I469 HydrophobicContact CG2-CD1 3.86Å; V439-I469 HydrophobicContact CG2-CG2 4.03Å
440	Q	85.9	Confident	91.6	Very high	23 Å²	23	44.5 Å²	44.5	11%	0.107	23%	0.234	C	C	.	.			trans	-131.7	164.8	-177.5	-59	-179.3	22.1	0	0	109.9	H317 S337 Y340 L442	H317-Q440 PolarHBondContact O-NE2 2.84Å; S337-Q440 PolarHBondContact OG-NE2 2.64Å; Y340-Q440 HydrophobicContact CD2-CB 4.19Å; Q440-L442 VanDerWaalsContact C-N 3.29Å; Q440-L442 PolarHBondContact O-N 2.82Å
441	D	83	Confident	92.2	Very high	70 Å²	70	44 Å²	44	37%	0.374	23%	0.23	S	C	.	.	S	Bend	trans	57.4	28.8	176.3	-64.5	-36.8	0	0	0	117.4	Q336 Y340 Y445	Q336-D441 PolarHBondContact NE2-OD2 2.85Å; Y340-D441 HydrophobicContact CE2-CB 4.25Å; Y340-D441 WeakPolarHBondContact CE2-OD2 3.31Å; Y340-D441 PolarHBondContact OH-OD2 2.77Å; D441-Y445 PolarHBondContact N-OH 2.77Å
442	L	86.2	Confident	92.9	Very high	32 Å²	32	45.2 Å²	45.2	17%	0.168	23%	0.234	C	C	.	.			trans	-85.1	143.8	164	-60	-177.4	0	0	0	111	L405 V439 Q440 D444 Y445 I469 V471	L405-L442 HydrophobicContact CD2-CD1 4.17Å; V439-L442 HydrophobicContact CG1-CD1 3.5Å; V439-L442 HydrophobicContact CG1-CG 3.91Å; Q440-L442 VanDerWaalsContact C-N 3.29Å; Q440-L442 PolarHBondContact O-N 2.82Å; L442-D444 VanDerWaalsContact C-N 3.29Å; L442-D444 WeakPolarHBondContact CB-O 3.43Å; L442-Y445 HydrophobicContact CB-CD1 3.84Å; L442-Y445 HydrophobicContact CB-CD2 4.44Å; L442-Y445 HydrophobicContact CB-CE1 3.67Å; L442-Y445 HydrophobicContact CB-CE2 4.28Å; L442-Y445 HydrophobicContact CB-CG 4.23Å; L442-Y445 HydrophobicContact CD1-CD1 3.87Å; L442-Y445 HydrophobicContact CD1-CE1 4.2Å; L442-Y445 HydrophobicContact CG-CD1 4.13Å; L442-Y445 HydrophobicContact CG-CE1 3.97Å; L442-Y445 PolarHBondContact N-OH 3.29Å; L442-Y445 VanDerWaalsContact O-CE2 3.3Å; L442-Y445 WeakPolarHBondContact O-CE2 3.06Å; L442-I469 WeakPolarHBondContact CD2-O 3.2Å; L442-V471 HydrophobicContact CD1-CG2 4.16Å
443	T	84.7	Confident	93.3	Very high	159 Å²	159	43.4 Å²	43.4	98%	0.975	23%	0.227	S	C	*	.	S	Bend	trans	-67.8	-34	170.1	51.2	0	0	0	0	111.8
444	D	88.9	Confident	93.4	Very high	103 Å²	103	42 Å²	42	55%	0.551	22%	0.222	S	C	*	.			trans	-140.5	132.5	173.9	-164.4	-6.3	0	0	0	108.9	L442 W446	L442-D444 VanDerWaalsContact C-N 3.29Å; L442-D444 WeakPolarHBondContact CB-O 3.43Å; D444-W446 WeakPolarHBondContact OD1-CB 3.39Å; D444-W446 PolarHBondContact OD1-N 3.5Å
445	Y	94.7	Very high	93.3	Very high	41 Å²	41	42.2 Å²	42.2	16%	0.161	22%	0.222	C	C	.	.			trans	-101.3	-8.4	179.3	-62.9	-89.4	0	0	0	111.9	R318 I404 L405 V439 D441 L442	R318-Y445 VanDerWaalsContact NH1-CD1 3.26Å; R318-Y445 VanDerWaalsContact NH2-CD1 3.3Å; I404-Y445 WeakPolarHBondContact CA-O 3.38Å; L405-Y445 PolarHBondContact N-O 3.2Å; V439-Y445 HydrophobicContact CG1-CD1 4.28Å; V439-Y445 HydrophobicContact CG1-CE1 4.2Å; V439-Y445 WeakPolarHBondContact O-CE1 3.36Å; D441-Y445 PolarHBondContact N-OH 2.77Å; L442-Y445 HydrophobicContact CB-CD1 3.84Å; L442-Y445 HydrophobicContact CB-CD2 4.44Å; L442-Y445 HydrophobicContact CB-CE1 3.67Å; L442-Y445 HydrophobicContact CB-CE2 4.28Å; L442-Y445 HydrophobicContact CB-CG 4.23Å; L442-Y445 HydrophobicContact CD1-CD1 3.87Å; L442-Y445 HydrophobicContact CD1-CE1 4.2Å; L442-Y445 HydrophobicContact CG-CD1 4.13Å; L442-Y445 HydrophobicContact CG-CE1 3.97Å; L442-Y445 PolarHBondContact N-OH 3.29Å; L442-Y445 VanDerWaalsContact O-CE2 3.3Å; L442-Y445 WeakPolarHBondContact O-CE2 3.06Å
446	W	96.7	Very high	93.2	Very high	132 Å²	132	44.4 Å²	44.4	50%	0.5	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	127.1	176.6	-174.3	-88.5	0	0	0	110.2	E402 I404 D444	E402-W446 HydrophobicContact CB-CZ2 4.23Å; I404-W446 HydrophobicContact CG1-CE3 3.85Å; I404-W446 HydrophobicContact CG1-CZ3 4.18Å; D444-W446 WeakPolarHBondContact OD1-CB 3.39Å; D444-W446 PolarHBondContact OD1-N 3.5Å
447	I	96.9	Very high	93	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	152.1	177.5	71	178.9	0	0	0	110.3	L367 V399 E402 G403 L405 V453 V471	L367-I447 HydrophobicContact CB-CD1 3.94Å; L367-I447 HydrophobicContact CD1-CD1 3.63Å; L367-I447 HydrophobicContact CD1-CG1 4.1Å; L367-I447 HydrophobicContact CG-CD1 4.34Å; V399-I447 HydrophobicContact CB-CD1 4.47Å; V399-I447 HydrophobicContact CG1-CB 4.49Å; V399-I447 HydrophobicContact CG1-CD1 3.93Å; V399-I447 HydrophobicContact CG1-CG1 3.94Å; V399-I447 HydrophobicContact CG2-CB 4.33Å; V399-I447 HydrophobicContact CG2-CD1 3.62Å; V399-I447 HydrophobicContact CG2-CG1 4.21Å; E402-I447 VanDerWaalsContact CA-O 3.28Å; E402-I447 WeakPolarHBondContact CA-O 3.5Å; G403-I447 PolarHBondContact N-O 3.01Å; G403-I447 VanDerWaalsContact N-O 3.07Å; G403-I447 PolarHBondContact O-N 2.86Å; L405-I447 HydrophobicContact CB-CD1 4.23Å; L405-I447 HydrophobicContact CB-CG2 4.19Å; I447-V453 HydrophobicContact CD1-CG2 4.13Å; I447-V471 HydrophobicContact CB-CG1 4.45Å; I447-V471 HydrophobicContact CG2-CB 4.3Å; I447-V471 HydrophobicContact CG2-CG1 3.74Å; I447-V471 HydrophobicContact CG2-CG2 3.64Å
448	K	96.3	Very high	92.8	Very high	90 Å²	90	44.8 Å²	44.8	39%	0.391	24%	0.236	S	C	.	.			trans	-132.7	158	-177.6	56.9	176.6	-178.4	-173.2	0	111.2	V399 G450 D451 D473	V399-K448 WeakPolarHBondContact CB-O 3.34Å; V399-K448 WeakPolarHBondContact CG1-O 3.32Å; K448-G450 PolarHBondContact O-N 2.83Å; K448-D451 WeakPolarHBondContact CE-OD1 3.27Å; K448-D451 WeakPolarHBondContact CG-OD2 3.43Å; K448-D451 PolarHBondContact N-OD2 3.05Å; K448-D451 WeakPolarHBondContact O-CB 3.47Å; K448-D451 PolarHBondContact O-N 2.82Å; K448-D473 WeakPolarHBondContact CE-OD2 3.29Å; K448-D473 IonicContact NZ-OD2 2.71Å; K448-D473 PolarHBondContact NZ-OD2 3.08Å
449	P	96.4	Very high	92.3	Very high	75 Å²	75	44.5 Å²	44.5	49%	0.487	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	129.3	173.8	-25.4	34.7	0	0	0	111.9	V399	V399-P449 WeakPolarHBondContact O-CA 3.42Å
450	G	90.8	Very high	91.7	Very high	28 Å²	28	48.9 Å²	48.9	29%	0.289	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.5	-26.3	-172.3	0	0	0	0	0	113.7	K448 H452 L474	K448-G450 PolarHBondContact O-N 2.83Å; G450-H452 PolarHBondContact O-ND1 2.97Å; G450-L474 WeakPolarHBondContact O-CD1 3.41Å
451	D	95.6	Very high	91.2	Very high	10 Å²	10	50.2 Å²	50.2	5%	0.053	26%	0.263	C	S	.	.			trans	-68.7	159.6	171.2	-59.5	-16.8	0	0	0	110.6	V399 K448 V471 L472	V399-D451 HydrophobicContact CB-CB 4.41Å; V399-D451 WeakPolarHBondContact CB-O 3.46Å; V399-D451 HydrophobicContact CG2-CB 4.02Å; V399-D451 WeakPolarHBondContact CG2-O 3.07Å; V399-D451 PolarHBondContact N-O 3.49Å; K448-D451 WeakPolarHBondContact CE-OD1 3.27Å; K448-D451 WeakPolarHBondContact CG-OD2 3.43Å; K448-D451 PolarHBondContact N-OD2 3.05Å; K448-D451 WeakPolarHBondContact O-CB 3.47Å; K448-D451 PolarHBondContact O-N 2.82Å; D451-V471 HydrophobicContact CB-CG1 3.91Å; D451-L472 WeakPolarHBondContact CA-O 3.28Å
452	H	96.4	Very high	90.8	Very high	44 Å²	44	48.2 Å²	48.2	20%	0.204	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131	171.7	-69.5	69.4	0	0	0	110.7	I397 G450 M454 V471 L472	I397-H452 CarbonylContact O-C 3.43Å; I397-H452 WeakPolarHBondContact O-CA 3.3Å; G450-H452 PolarHBondContact O-ND1 2.97Å; H452-M454 HydrophobicContact CB-SD 4.06Å; H452-V471 WeakPolarHBondContact O-CA 3.38Å; H452-L472 PolarHBondContact N-O 2.79Å; H452-L472 PolarHBondContact O-N 2.83Å
453	V	96.8	Very high	90.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	112.8	168.6	-176.3	0	0	0	0	107.9	A307 G396 I397 V399 L405 I408 I447 M455 I469	A307-V453 HydrophobicContact CB-CG2 4.43Å; G396-V453 WeakPolarHBondContact CA-O 3.5Å; I397-V453 PolarHBondContact N-O 3.23Å; I397-V453 PolarHBondContact O-N 2.78Å; V399-V453 HydrophobicContact CG2-CG2 3.9Å; L405-V453 HydrophobicContact CD2-CG1 4.21Å; L405-V453 HydrophobicContact CD2-CG2 4.31Å; I408-V453 HydrophobicContact CD1-CG1 4.26Å; I447-V453 HydrophobicContact CD1-CG2 4.13Å; V453-M455 HydrophobicContact CG1-CE 3.83Å; V453-I469 HydrophobicContact CG1-CG2 4.13Å
454	M	96.7	Very high	91	Very high	53 Å²	53	41 Å²	41	26%	0.261	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	137.8	178.6	-55.6	-56	-59.4	0	0	109.8	I395 G396 H452 I469 S470 L472	I395-M454 CarbonylContact O-C 3.51Å; I395-M454 WeakPolarHBondContact O-CA 3.36Å; G396-M454 WeakPolarHBondContact CA-SD 3.41Å; H452-M454 HydrophobicContact CB-SD 4.06Å; M454-I469 CarbonylContact O-C 3.56Å; M454-I469 VanDerWaalsContact O-CA 3.26Å; M454-I469 WeakPolarHBondContact O-CA 3.31Å; M454-S470 PolarHBondContact N-O 3.01Å; M454-S470 PolarHBondContact O-N 2.95Å; M454-L472 HydrophobicContact CG-CB 4.49Å; M454-L472 HydrophobicContact CG-CD1 3.6Å; M454-L472 HydrophobicContact CG-CG 3.86Å; M454-L472 HydrophobicContact SD-CD1 4.29Å
455	M	95.3	Very high	91.1	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.02	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	156.1	177.1	64.2	-168.8	73.2	0	0	111.9	F371 I395 I408 V453 V457 I466 I469	F371-M455 HydrophobicContact CE2-CE 4.45Å; F371-M455 HydrophobicContact CE2-SD 4.18Å; F371-M455 HydrophobicContact CZ-CE 3.91Å; F371-M455 HydrophobicContact CZ-SD 4.13Å; I395-M455 HydrophobicContact CB-CG 4.08Å; I395-M455 PolarHBondContact N-O 2.95Å; I395-M455 PolarHBondContact O-N 2.99Å; I408-M455 HydrophobicContact CD1-CE 3.76Å; I408-M455 HydrophobicContact CG1-CE 4.1Å; V453-M455 HydrophobicContact CG1-CE 3.83Å; M455-V457 HydrophobicContact CG-CG2 4.33Å; M455-I466 HydrophobicContact CB-CG2 3.86Å; M455-I466 HydrophobicContact CG-CG2 4.16Å; M455-I466 HydrophobicContact SD-CG2 3.72Å; M455-I469 HydrophobicContact CB-CG1 4.19Å
456	E	94.3	Very high	91	Very high	46 Å²	46	36.4 Å²	36.4	22%	0.215	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.5	171.4	-72.9	175.4	169.8	0	0	109.5	P392 D393 K394 I466 Q467 S468	P392-E456 HydrophobicContact CB-CB 4.44Å; D393-E456 CarbonylContact O-C 3.34Å; D393-E456 WeakPolarHBondContact O-CA 3.48Å; K394-E456 WeakPolarHBondContact CE-OE1 3.32Å; K394-E456 HydrophobicContact CG-CG 3.92Å; K394-E456 IonicContact NZ-OE1 3.52Å; K394-E456 PolarHBondContact NZ-OE1 2.83Å; E456-I466 WeakPolarHBondContact O-CA 3.2Å; E456-Q467 PolarHBondContact N-O 2.92Å; E456-Q467 PolarHBondContact O-N 3.22Å; E456-S468 WeakPolarHBondContact OE2-CB 3.34Å; E456-S468 PolarHBondContact OE2-OG 2.95Å
457	V	93.4	Very high	90.7	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.5	-179.1	-178.1	0	0	0	0	109.9	I373 P392 D393 I395 M455 L464 R465 I466	I373-V457 HydrophobicContact CG2-CB 4.41Å; I373-V457 HydrophobicContact CG2-CG1 3.57Å; I373-V457 HydrophobicContact CG2-CG2 4.12Å; P392-V457 CarbonylContact C-O 3.2Å; P392-V457 WeakPolarHBondContact CA-O 3.34Å; D393-V457 PolarHBondContact N-O 3.42Å; D393-V457 PolarHBondContact O-N 2.9Å; I395-V457 HydrophobicContact CD1-CB 4.46Å; I395-V457 HydrophobicContact CD1-CG2 3.69Å; I395-V457 HydrophobicContact CG1-CG2 4.26Å; M455-V457 HydrophobicContact CG-CG2 4.33Å; V457-L464 HydrophobicContact CG1-CD1 3.76Å; V457-R465 CarbonylContact C-O 3.53Å; V457-R465 VanDerWaalsContact CA-O 3.29Å; V457-R465 WeakPolarHBondContact CA-O 3.13Å; V457-I466 HydrophobicContact CG2-CG1 4.44Å
458	S	90.6	Very high	90.3	Very high	11 Å²	11	35.3 Å²	35.3	8%	0.077	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	163.7	177.1	73.6	0	0	0	0	113	R465	S458-R465 PolarHBondContact N-O 3.27Å; S458-R465 PolarHBondContact O-N 2.68Å
459	C	85.8	Confident	90.1	Very high	8 Å²	8	32.4 Å²	32.4	5%	0.054	18%	0.179	C	C	.	.			trans	-142.2	28.9	179.6	51.9	0	0	0	0	112.7	D461 C462 Y463	C459-D461 VanDerWaalsContact C-N 3.33Å; C459-D461 PolarHBondContact O-N 3.03Å; C459-C462 PolarHBondContact O-N 3.1Å; C459-Y463 VanDerWaalsContact CA-O 3.31Å; C459-Y463 WeakPolarHBondContact CA-O 3.47Å
460	Q	79.4	Confident	90	Very high	94 Å²	94	31 Å²	31	44%	0.439	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-29.2	-168.4	-68.5	-178	-16.8	0	0	113.6	K390	K390-Q460 PolarHBondContact O-NE2 3.36Å
461	D	75.9	Confident	90	Very high	52 Å²	52	31.8 Å²	31.8	28%	0.278	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	26.4	-177.7	64.5	-32.8	0	0	0	112.3	C459 Y463 R465	C459-D461 VanDerWaalsContact C-N 3.33Å; C459-D461 PolarHBondContact O-N 3.03Å; D461-Y463 PolarHBondContact O-N 3.36Å; D461-Y463 VanDerWaalsContact O-N 3.14Å; D461-R465 VanDerWaalsContact CG-NE 3.33Å; D461-R465 IonicContact OD1-NE 3.35Å; D461-R465 PolarHBondContact OD1-NE 2.84Å; D461-R465 IonicContact OD2-CZ 2.79Å; D461-R465 IonicContact OD2-NE 2.99Å; D461-R465 PolarHBondContact OD2-NE 3.12Å; D461-R465 IonicContact OD2-NH2 3.47Å; D461-R465 PolarHBondContact OD2-NH2 3.38Å
462	C	74.4	Confident	89.5	Confident	27 Å²	27	35.2 Å²	35.2	18%	0.182	19%	0.188	C	C	.	.	S	Bend	trans	64.1	10.7	-179.1	-55	0	0	0	0	115	F262 E268 C459	F262-C462 CarbonylContact C-O 3.56Å; F262-C462 WeakPolarHBondContact CB-O 3.42Å; E268-C462 VanDerWaalsContact CG-SG 3.59Å; C459-C462 PolarHBondContact O-N 3.1Å
463	Y	84.6	Confident	88.7	Confident	40 Å²	40	35.8 Å²	35.8	16%	0.157	19%	0.192	C	C	.	.	S	Bend	trans	-110.7	147	166.2	-77.4	-88	0	0	0	110.9	G263 E350 P351 Y352 C459 D461 R465	G263-Y463 VanDerWaalsContact CA-CE1 3.47Å; E350-Y463 HydrophobicContact CG-CE1 3.98Å; P351-Y463 HydrophobicContact CG-CD1 4.34Å; P351-Y463 HydrophobicContact CG-CG 4.39Å; Y352-Y463 HydrophobicContact CE1-CD1 4.43Å; C459-Y463 VanDerWaalsContact CA-O 3.31Å; C459-Y463 WeakPolarHBondContact CA-O 3.47Å; D461-Y463 PolarHBondContact O-N 3.36Å; D461-Y463 VanDerWaalsContact O-N 3.14Å; Y463-R465 PolarHBondContact O-N 3.12Å
464	L	91.1	Very high	86.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.214	C	C	.	.			trans	-71.2	120.9	164.9	-178.9	69.3	0	0	0	108.6	F262 I303 P351 I373 M374 V410 Y437 V457	F262-L464 HydrophobicContact CD2-CB 4.13Å; I303-L464 HydrophobicContact CD1-CD1 4.42Å; I303-L464 HydrophobicContact CD1-CD2 4.25Å; I303-L464 HydrophobicContact CG2-CD2 3.84Å; P351-L464 VanDerWaalsContact CG-O 3.24Å; P351-L464 WeakPolarHBondContact CG-O 3.43Å; I373-L464 HydrophobicContact CG2-CD1 4.27Å; M374-L464 HydrophobicContact SD-CD1 3.99Å; V410-L464 HydrophobicContact CG1-CD2 3.82Å; Y437-L464 WeakPolarHBondContact OH-CB 3.4Å; Y437-L464 WeakPolarHBondContact OH-CD2 3.26Å; Y437-L464 VanDerWaalsContact OH-CG 3.31Å; Y437-L464 WeakPolarHBondContact OH-CG 3.49Å; Y437-L464 PolarHBondContact OH-O 3.32Å; V457-L464 HydrophobicContact CG1-CD1 3.76Å
465	R	91.6	Very high	84.6	Confident	37 Å²	37	45 Å²	45	14%	0.14	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.8	175	-68	-174.5	176.1	-81.7	-7.3	110.1	P351 V457 S458 D461 Y463 Q467	P351-R465 HydrophobicContact CB-CG 4.07Å; P351-R465 HydrophobicContact CG-CG 4Å; V457-R465 CarbonylContact C-O 3.53Å; V457-R465 VanDerWaalsContact CA-O 3.29Å; V457-R465 WeakPolarHBondContact CA-O 3.13Å; S458-R465 PolarHBondContact N-O 3.27Å; S458-R465 PolarHBondContact O-N 2.68Å; D461-R465 VanDerWaalsContact CG-NE 3.33Å; D461-R465 IonicContact OD1-NE 3.35Å; D461-R465 PolarHBondContact OD1-NE 2.84Å; D461-R465 IonicContact OD2-CZ 2.79Å; D461-R465 IonicContact OD2-NE 2.99Å; D461-R465 PolarHBondContact OD2-NE 3.12Å; D461-R465 IonicContact OD2-NH2 3.47Å; D461-R465 PolarHBondContact OD2-NH2 3.38Å; Y463-R465 PolarHBondContact O-N 3.12Å; R465-Q467 HydrophobicContact CB-CG 4.17Å
466	I	92.4	Very high	82.5	Confident	11 Å²	11	48.1 Å²	48.1	6%	0.056	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114.9	166.8	-56.2	-175	0	0	0	107	I373 I408 V410 Y437 M455 E456 V457 I469	I373-I466 HydrophobicContact CD1-CD1 3.9Å; I408-I466 HydrophobicContact CB-CD1 4.37Å; I408-I466 HydrophobicContact CG1-CG2 4.46Å; I408-I466 HydrophobicContact CG2-CD1 3.88Å; V410-I466 HydrophobicContact CG2-CD1 3.65Å; Y437-I466 HydrophobicContact CD1-CB 3.8Å; Y437-I466 HydrophobicContact CD1-CG1 4.17Å; Y437-I466 HydrophobicContact CD2-CB 4.44Å; Y437-I466 HydrophobicContact CD2-CD1 3.78Å; Y437-I466 HydrophobicContact CD2-CG1 4.19Å; Y437-I466 HydrophobicContact CE1-CB 4.07Å; Y437-I466 HydrophobicContact CE1-CG1 4.06Å; Y437-I466 HydrophobicContact CE2-CD1 3.86Å; Y437-I466 HydrophobicContact CE2-CG1 4.09Å; Y437-I466 HydrophobicContact CG-CB 3.98Å; Y437-I466 HydrophobicContact CG-CD1 4.17Å; Y437-I466 HydrophobicContact CG-CG1 4.22Å; M455-I466 HydrophobicContact CB-CG2 3.86Å; M455-I466 HydrophobicContact CG-CG2 4.16Å; M455-I466 HydrophobicContact SD-CG2 3.72Å; E456-I466 WeakPolarHBondContact O-CA 3.2Å; V457-I466 HydrophobicContact CG2-CG1 4.44Å; I466-I469 HydrophobicContact CG2-CD1 4.01Å; I466-I469 HydrophobicContact CG2-CG1 4.12Å
467	Q	89.4	Confident	80.1	Confident	35 Å²	35	51.1 Å²	51.1	16%	0.164	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	173.5	-170.4	-63.1	173.1	-49.4	0	0	110.5	S341 E456 R465 I469	S341-Q467 WeakPolarHBondContact OG-CG 3.38Å; S341-Q467 PolarHBondContact OG-NE2 3.13Å; E456-Q467 PolarHBondContact N-O 2.92Å; E456-Q467 PolarHBondContact O-N 3.22Å; R465-Q467 HydrophobicContact CB-CG 4.17Å; Q467-I469 PolarHBondContact O-N 3.03Å; Q467-I469 VanDerWaalsContact O-N 3.11Å
468	S	88.6	Confident	77.5	Confident	74 Å²	74	56.9 Å²	56.9	52%	0.517	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54	35.8	172.9	-54.5	0	0	0	0	113	E456 S470	E456-S468 WeakPolarHBondContact OE2-CB 3.34Å; E456-S468 PolarHBondContact OE2-OG 2.95Å; S468-S470 PolarHBondContact O-N 2.97Å
469	I	92.9	Very high	74.9	Confident	29 Å²	29	61.5 Å²	61.5	15%	0.149	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	125.1	-177.7	-57.6	173.9	0	0	0	108.5	L405 I408 V439 L442 V453 M454 M455 I466 Q467	L405-I469 HydrophobicContact CD2-CG2 4.31Å; I408-I469 HydrophobicContact CG1-CD1 3.85Å; V439-I469 HydrophobicContact CG1-CG2 4.09Å; V439-I469 HydrophobicContact CG2-CD1 3.86Å; V439-I469 HydrophobicContact CG2-CG2 4.03Å; L442-I469 WeakPolarHBondContact CD2-O 3.2Å; V453-I469 HydrophobicContact CG1-CG2 4.13Å; M454-I469 CarbonylContact O-C 3.56Å; M454-I469 VanDerWaalsContact O-CA 3.26Å; M454-I469 WeakPolarHBondContact O-CA 3.31Å; M455-I469 HydrophobicContact CB-CG1 4.19Å; I466-I469 HydrophobicContact CG2-CD1 4.01Å; I466-I469 HydrophobicContact CG2-CG1 4.12Å; Q467-I469 PolarHBondContact O-N 3.03Å; Q467-I469 VanDerWaalsContact O-N 3.11Å
470	S	93.3	Very high	72.9	Confident	46 Å²	46	64.7 Å²	64.7	32%	0.322	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	161.3	179.2	52.3	0	0	0	0	111.1	M454 S468	M454-S470 PolarHBondContact N-O 3.01Å; M454-S470 PolarHBondContact O-N 2.95Å; S468-S470 PolarHBondContact O-N 2.97Å
471	V	90.9	Very high	70.8	Confident	44 Å²	44	63.1 Å²	63.1	27%	0.267	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127	179.5	-175.5	0	0	0	0	108.7	L405 L442 I447 D451 H452	L405-V471 HydrophobicContact CD2-CG2 4Å; L442-V471 HydrophobicContact CD1-CG2 4.16Å; I447-V471 HydrophobicContact CB-CG1 4.45Å; I447-V471 HydrophobicContact CG2-CB 4.3Å; I447-V471 HydrophobicContact CG2-CG1 3.74Å; I447-V471 HydrophobicContact CG2-CG2 3.64Å; D451-V471 HydrophobicContact CB-CG1 3.91Å; H452-V471 WeakPolarHBondContact O-CA 3.38Å
472	L	86.7	Confident	68.7	Low	82 Å²	82	68.5 Å²	68.5	43%	0.429	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.8	177.2	-61.5	179.2	0	0	0	110.7	D451 H452 M454	D451-L472 WeakPolarHBondContact CA-O 3.28Å; H452-L472 PolarHBondContact N-O 2.79Å; H452-L472 PolarHBondContact O-N 2.83Å; M454-L472 HydrophobicContact CG-CB 4.49Å; M454-L472 HydrophobicContact CG-CD1 3.6Å; M454-L472 HydrophobicContact CG-CG 3.86Å; M454-L472 HydrophobicContact SD-CD1 4.29Å
473	D	78.4	Confident	66.8	Low	55 Å²	55	70 Å²	70	29%	0.294	37%	0.374	S	S	.	.			trans	-83.6	147.2	170.9	-163.5	-28.1	0	0	0	110.1	K448 E475 C476	K448-D473 WeakPolarHBondContact CE-OD2 3.29Å; K448-D473 IonicContact NZ-OD2 2.71Å; K448-D473 PolarHBondContact NZ-OD2 3.08Å; D473-E475 PolarHBondContact O-N 2.85Å; D473-E475 VanDerWaalsContact O-N 3.14Å; D473-C476 WeakPolarHBondContact O-CB 3.41Å; D473-C476 PolarHBondContact O-N 3.03Å
474	L	56.8	Low	64.6	Low	85 Å²	85	75.3 Å²	75.3	45%	0.445	40%	0.398	S	S	.	.	H	α-helix	trans	-53	-29.5	176.3	-105.7	149.4	0	0	0	113	G450 C476 E477	G450-L474 WeakPolarHBondContact O-CD1 3.41Å; L474-C476 VanDerWaalsContact C-N 3.26Å; L474-C476 PolarHBondContact O-N 3.05Å; L474-E477 PolarHBondContact O-N 3.1Å
475	E	51.8	Low	61.8	Low	162 Å²	162	80.8 Å²	80.8	76%	0.757	43%	0.432	S	S	*	.	H	α-helix	trans	-66.3	-26.5	176.5	-67.4	-166.8	167.2	0	0	112.8	D473	D473-E475 PolarHBondContact O-N 2.85Å; D473-E475 VanDerWaalsContact O-N 3.14Å
476	C	49.8	Very low	59	Low	69 Å²	69	86.8 Å²	86.8	47%	0.466	46%	0.462	S	S	.	.	H	α-helix	trans	-80.7	-20.7	177.8	-81.2	0	0	0	0	114	D473 L474 M478 D479 V480	D473-C476 WeakPolarHBondContact O-CB 3.41Å; D473-C476 PolarHBondContact O-N 3.03Å; L474-C476 VanDerWaalsContact C-N 3.26Å; L474-C476 PolarHBondContact O-N 3.05Å; C476-M478 PolarHBondContact O-N 3.01Å; C476-D479 PolarHBondContact O-N 2.61Å; C476-V480 WeakPolarHBondContact O-CG2 3.43Å; C476-V480 PolarHBondContact O-N 2.97Å; C476-V480 VanDerWaalsContact O-N 3.15Å
477	E	43.6	Very low	56.1	Low	109 Å²	109	92.3 Å²	92.3	51%	0.509	49%	0.491	S	S	.	.	H	α-helix	trans	-61.2	-32.2	175.5	-76.2	-163.6	143	0	0	111.9	L474 A481	L474-E477 PolarHBondContact O-N 3.1Å; E477-A481 VanDerWaalsContact O-CB 3.26Å; E477-A481 WeakPolarHBondContact O-CB 3.45Å; E477-A481 PolarHBondContact O-N 2.8Å
478	M	39.2	Very low	53.4	Low	125 Å²	125	99.5 Å²	99.5	62%	0.616	52%	0.522	S	S	*	.	H	α-helix	trans	-73.1	-28.2	-178.3	-69	-169.4	64.4	0	0	113.9	C476 R482	C476-M478 PolarHBondContact O-N 3.01Å; M478-R482 WeakPolarHBondContact O-CG 3.29Å
479	D	36.7	Very low	50.6	Low	108 Å²	108	103.4 Å²	103.4	58%	0.578	54%	0.537	S	S	*	.	H	α-helix	trans	-89.2	-32.9	178.1	-85.3	-20.7	0	0	0	112.3	C476 R482 S483	C476-D479 PolarHBondContact O-N 2.61Å; D479-R482 PolarHBondContact O-N 2.97Å; D479-S483 PolarHBondContact O-N 3.26Å
480	V	43.6	Very low	47.7	Very low	74 Å²	74	108.8 Å²	108.8	45%	0.448	57%	0.565	S	S	.	*	H	α-helix	trans	-66.9	-44.4	173.8	173.6	0	0	0	0	110.2	C476 R482 S483 F484	C476-V480 WeakPolarHBondContact O-CG2 3.43Å; C476-V480 PolarHBondContact O-N 2.97Å; C476-V480 VanDerWaalsContact O-N 3.15Å; V480-R482 VanDerWaalsContact C-N 3.29Å; V480-R482 PolarHBondContact O-N 2.92Å; V480-S483 PolarHBondContact O-N 3.23Å; V480-S483 PolarHBondContact O-OG 3.2Å; V480-F484 HydrophobicContact CB-CE2 4.5Å; V480-F484 HydrophobicContact CG1-CD2 3.66Å; V480-F484 HydrophobicContact CG1-CE2 3.15Å; V480-F484 HydrophobicContact CG1-CZ 4.13Å; V480-F484 WeakPolarHBondContact O-CD2 3.08Å; V480-F484 PolarHBondContact O-N 3.02Å
481	A	34.8	Very low	45.2	Very low	62 Å²	62	114.9 Å²	114.9	51%	0.512	59%	0.593	S	S	.	*	H	α-helix	trans	-62.7	-29.8	174.5	0	0	0	0	0	113.8	E477	E477-A481 VanDerWaalsContact O-CB 3.26Å; E477-A481 WeakPolarHBondContact O-CB 3.45Å; E477-A481 PolarHBondContact O-N 2.8Å
482	R	33.1	Very low	42.7	Very low	165 Å²	165	117.1 Å²	117.1	62%	0.623	61%	0.611	S	S	*	*	H	α-helix	trans	-75	-36.3	174.7	-80.3	176.6	174.4	167.5	1.3	112.8	M478 D479 V480 F484 T485	M478-R482 WeakPolarHBondContact O-CG 3.29Å; D479-R482 PolarHBondContact O-N 2.97Å; V480-R482 VanDerWaalsContact C-N 3.29Å; V480-R482 PolarHBondContact O-N 2.92Å; R482-F484 VanDerWaalsContact C-N 3.29Å; R482-F484 PolarHBondContact O-N 2.84Å; R482-T485 PolarHBondContact O-N 2.84Å; R482-T485 PolarHBondContact O-OG1 3.21Å
483	S	33.2	Very low	40.2	Very low	59 Å²	59	120.1 Å²	120.1	41%	0.413	63%	0.626	S	S	.	*	H	α-helix	trans	-66.7	-30.3	175.3	80.3	0	0	0	0	112.8	D479 V480 T485 Q486	D479-S483 PolarHBondContact O-N 3.26Å; V480-S483 PolarHBondContact O-N 3.23Å; V480-S483 PolarHBondContact O-OG 3.2Å; S483-T485 VanDerWaalsContact C-N 3.32Å; S483-T485 PolarHBondContact O-N 2.85Å; S483-Q486 PolarHBondContact O-N 2.72Å
484	F	38.8	Very low	38.4	Very low	150 Å²	150	120.6 Å²	120.6	66%	0.658	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-12	-179.7	-74.9	-56.9	0	0	0	115.1	V480 R482	V480-F484 HydrophobicContact CB-CE2 4.5Å; V480-F484 HydrophobicContact CG1-CD2 3.66Å; V480-F484 HydrophobicContact CG1-CE2 3.15Å; V480-F484 HydrophobicContact CG1-CZ 4.13Å; V480-F484 WeakPolarHBondContact O-CD2 3.08Å; V480-F484 PolarHBondContact O-N 3.02Å; R482-F484 VanDerWaalsContact C-N 3.29Å; R482-F484 PolarHBondContact O-N 2.84Å
485	T	32.3	Very low	37.8	Very low	115 Å²	115	122.7 Å²	122.7	71%	0.706	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-8.9	174	36.3	0	0	0	0	115.1	R482 S483	R482-T485 PolarHBondContact O-N 2.84Å; R482-T485 PolarHBondContact O-OG1 3.21Å; S483-T485 VanDerWaalsContact C-N 3.32Å; S483-T485 PolarHBondContact O-N 2.85Å
486	Q	32.3	Very low	37.2	Very low	164 Å²	164	121.7 Å²	121.7	77%	0.766	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-13.7	178.4	-84	-176.5	-13.4	0	0	115	S483 K488	S483-Q486 PolarHBondContact O-N 2.72Å; Q486-K488 PolarHBondContact O-N 3.43Å
487	N	31.9	Very low	36.8	Very low	126 Å²	126	122.1 Å²	122.1	67%	0.674	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	34.6	-178.4	-87.4	-15.8	0	0	0	114.8
488	K	32.5	Very low	36.8	Very low	186 Å²	186	124.2 Å²	124.2	81%	0.809	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-3.3	169.4	-98.1	-177.6	176.9	176	0	115	Q486	Q486-K488 PolarHBondContact O-N 3.43Å
489	D	30.3	Very low	36.8	Very low	157 Å²	157	123.7 Å²	123.7	84%	0.84	67%	0.669	S	S	*	*	S	Bend	trans	-120.5	13.6	-176.8	-83.1	-25.8	0	0	0	115.7
490	L	31.7	Very low	37	Very low	142 Å²	142	122.7 Å²	122.7	74%	0.743	67%	0.67	S	S	*	*			trans	-121	53.1	176.2	-84.1	154.6	0	0	0	112.2
491	L	40.8	Very low	37.1	Very low	174 Å²	174	122.7 Å²	122.7	91%	0.911	67%	0.673	S	S	*	*			trans	-95	66.9	160.9	-81.6	164.6	0	0	0	109.7
492	S	38.3	Very low	37.4	Very low	90 Å²	90	122.6 Å²	122.6	63%	0.629	67%	0.672	S	S	*	*			trans	-175.5	95.2	154.6	62.5	0	0	0	0	109.6
493	L	33.5	Very low	37.8	Very low	145 Å²	145	119.7 Å²	119.7	76%	0.759	67%	0.668	S	S	*	*			trans	174.8	77.1	143.5	-112.8	89.2	0	0	0	107.2
494	G	41.7	Very low	38.1	Very low	65 Å²	65	120 Å²	120	67%	0.67	67%	0.674	S	S	*	*			trans	-77.2	143.3	163.4	0	0	0	0	0	109.7
495	N	44.3	Very low	38.3	Very low	130 Å²	130	119.4 Å²	119.4	70%	0.695	68%	0.678	S	S	*	*	S	Bend	trans	99.9	-3.1	162.7	-52.4	-1.3	0	0	0	119.3
496	E	38.6	Very low	38.5	Very low	140 Å²	140	120.5 Å²	120.5	65%	0.654	68%	0.679	S	S	*	*	S	Bend	trans	-102.1	-24.2	170.4	-83.9	-175.5	158.3	0	0	114.1	C500	E496-C500 PolarHBondContact O-N 2.91Å; E496-C500 PolarHBondContact O-SG 3.06Å; E496-C500 VanDerWaalsContact O-SG 3.35Å
497	A	41.7	Very low	39	Very low	79 Å²	79	120.9 Å²	120.9	65%	0.653	68%	0.681	S	S	*	*	H	α-helix	trans	-75.5	-36.1	-179.6	0	0	0	0	0	113.2	C500 S501	A497-C500 PolarHBondContact O-N 3.5Å; A497-S501 PolarHBondContact O-N 3.27Å; A497-S501 VanDerWaalsContact O-N 3.1Å
498	E	44.3	Very low	39.2	Very low	153 Å²	153	121.2 Å²	121.2	72%	0.715	69%	0.688	S	S	*	*	H	α-helix	trans	-69.9	-34.1	176.1	-75.8	178.3	161.4	0	0	112.1	S501 A502	E498-S501 PolarHBondContact O-N 2.94Å; E498-A502 PolarHBondContact O-N 2.9Å; E498-A502 VanDerWaalsContact O-N 3.09Å
499	L	38.8	Very low	39.4	Very low	114 Å²	114	118.2 Å²	118.2	60%	0.597	69%	0.69	S	S	*	*	H	α-helix	trans	-71.1	-37.3	176.4	-128.7	103.3	0	0	0	111.9	A502 L503	L499-A502 PolarHBondContact O-N 3.41Å; L499-L503 HydrophobicContact CD2-CD1 4.26Å; L499-L503 WeakPolarHBondContact O-CB 3.35Å; L499-L503 WeakPolarHBondContact O-CG 3.39Å; L499-L503 PolarHBondContact O-N 2.77Å
500	C	39.6	Very low	39.5	Very low	87 Å²	87	119.4 Å²	119.4	59%	0.588	69%	0.688	S	S	*	*	H	α-helix	trans	-69.4	-33.2	176	-74.5	0	0	0	0	112.5	E496 A497 A504	E496-C500 PolarHBondContact O-N 2.91Å; E496-C500 PolarHBondContact O-SG 3.06Å; E496-C500 VanDerWaalsContact O-SG 3.35Å; A497-C500 PolarHBondContact O-N 3.5Å; C500-A504 WeakPolarHBondContact O-CB 3.19Å; C500-A504 PolarHBondContact O-N 3.05Å
501	S	46.4	Very low	39.8	Very low	74 Å²	74	119 Å²	119	52%	0.517	69%	0.693	S	S	.	*	H	α-helix	trans	-68.8	-41.9	173	-179.7	0	0	0	0	111.8	A497 E498 L503 A504 N505	A497-S501 PolarHBondContact O-N 3.27Å; A497-S501 VanDerWaalsContact O-N 3.1Å; E498-S501 PolarHBondContact O-N 2.94Å; S501-L503 VanDerWaalsContact C-N 3.35Å; S501-L503 PolarHBondContact O-N 3.31Å; S501-A504 PolarHBondContact O-N 2.82Å; S501-N505 PolarHBondContact O-N 3.42Å
502	A	41.1	Very low	39.8	Very low	60 Å²	60	117.7 Å²	117.7	50%	0.496	69%	0.687	S	S	.	*	H	α-helix	trans	-65.5	-34.3	174.5	0	0	0	0	0	113.2	E498 L499	E498-A502 PolarHBondContact O-N 2.9Å; E498-A502 VanDerWaalsContact O-N 3.09Å; L499-A502 PolarHBondContact O-N 3.41Å
503	L	40.8	Very low	40.3	Very low	103 Å²	103	116.7 Å²	116.7	54%	0.539	69%	0.685	S	S	.	*	H	α-helix	trans	-79.1	-29.8	177.4	-79.7	161.8	0	0	0	113.5	L499 S501 N505 L506	L499-L503 HydrophobicContact CD2-CD1 4.26Å; L499-L503 WeakPolarHBondContact O-CB 3.35Å; L499-L503 WeakPolarHBondContact O-CG 3.39Å; L499-L503 PolarHBondContact O-N 2.77Å; S501-L503 VanDerWaalsContact C-N 3.35Å; S501-L503 PolarHBondContact O-N 3.31Å; L503-N505 VanDerWaalsContact C-N 3.26Å; L503-N505 PolarHBondContact O-N 2.79Å; L503-L506 PolarHBondContact O-N 3.34Å
504	A	40.8	Very low	41.6	Very low	65 Å²	65	115.5 Å²	115.5	54%	0.537	68%	0.683	S	S	.	*	H	α-helix	trans	-65.4	-30.3	175	0	0	0	0	0	112.4	C500 S501 L506	C500-A504 WeakPolarHBondContact O-CB 3.19Å; C500-A504 PolarHBondContact O-N 3.05Å; S501-A504 PolarHBondContact O-N 2.82Å; A504-L506 PolarHBondContact O-N 2.91Å
505	N	42.6	Very low	43.4	Very low	138 Å²	138	118.2 Å²	118.2	74%	0.738	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-8	175.8	-71.5	-17.1	0	0	0	114.2	S501 L503	S501-N505 PolarHBondContact O-N 3.42Å; L503-N505 VanDerWaalsContact C-N 3.26Å; L503-N505 PolarHBondContact O-N 2.79Å
506	L	37.5	Very low	45.5	Very low	138 Å²	138	114.5 Å²	114.5	72%	0.723	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-6	-178.9	-93.9	152.5	0	0	0	114.2	L503 A504	L503-L506 PolarHBondContact O-N 3.34Å; A504-L506 PolarHBondContact O-N 2.91Å
507	Q	42.4	Very low	47.9	Very low	172 Å²	172	110.2 Å²	110.2	80%	0.804	64%	0.64	S	S	*	*	S	Bend	trans	-141.1	65.9	-175.6	-71.8	-169.5	-14.2	0	0	114.2
508	T	34.7	Very low	50.2	Low	134 Å²	134	106.5 Å²	106.5	82%	0.822	61%	0.609	S	S	*	*			trans	-153.4	111.4	145	42.5	0	0	0	0	110.4	K510	T508-K510 PolarHBondContact O-N 2.9Å
509	S	37.6	Very low	52.4	Low	123 Å²	123	101.8 Å²	101.8	86%	0.86	59%	0.591	S	S	*	*			trans	-76.7	101.5	176.8	51	0	0	0	0	111.7
510	K	33.3	Very low	55	Low	182 Å²	182	96.4 Å²	96.4	79%	0.791	56%	0.563	S	S	*	*			trans	-161.9	127.3	139.5	-96.8	179.7	-175.7	-177.8	0	106	T508 D512	T508-K510 PolarHBondContact O-N 2.9Å; K510-D512 PolarHBondContact O-N 3.01Å
511	P	36.9	Very low	57.4	Low	132 Å²	132	96.3 Å²	96.3	86%	0.857	55%	0.554	S	S	*	*			trans	-72.6	103.2	176.6	28.1	-28.5	0	0	0	107.9
512	D	40.6	Very low	59.6	Low	147 Å²	147	94.1 Å²	94.1	79%	0.786	54%	0.539	S	S	*	.			trans	-59.9	134.3	160.3	-72.9	-35.6	0	0	0	107.3	K510 V514	K510-D512 PolarHBondContact O-N 3.01Å; D512-V514 PolarHBondContact O-N 2.99Å; D512-V514 VanDerWaalsContact O-N 3.15Å
513	A	49	Very low	62	Low	70 Å²	70	94 Å²	94	58%	0.579	53%	0.531	S	S	*	.			trans	-53.9	122.5	-179.2	0	0	0	0	0	108.9	N332 E515	N332-A513 HydrophobicContact CB-CB 4.48Å; A513-E515 PolarHBondContact O-N 3.41Å
514	V	61.5	Low	64.6	Low	119 Å²	119	89.9 Å²	89.9	72%	0.721	51%	0.51	S	S	*	.			trans	-55.8	115.3	176.9	179.3	0	0	0	0	107.4	D512 Q516	D512-V514 PolarHBondContact O-N 2.99Å; D512-V514 VanDerWaalsContact O-N 3.15Å; V514-Q516 PolarHBondContact O-N 3.49Å
515	E	79.4	Confident	67.3	Low	123 Å²	123	86.8 Å²	86.8	58%	0.575	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-64.4	120.7	172.4	-70.2	-171	153.6	0	0	108.1	K334 A513	K334-E515 WeakPolarHBondContact CE-OE2 3.37Å; K334-E515 IonicContact NZ-OE1 2.67Å; K334-E515 PolarHBondContact NZ-OE1 3.34Å; K334-E515 IonicContact NZ-OE2 2.66Å; K334-E515 PolarHBondContact NZ-OE2 3.49Å; A513-E515 PolarHBondContact O-N 3.41Å
516	Q	87.4	Confident	69.8	Low	51 Å²	51	80.4 Å²	80.4	24%	0.238	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.3	-179.2	-178	63.6	40.5	0	0	109.6	N332 V333 K334 V514 I617 L621	N332-Q516 PolarHBondContact O-N 3.1Å; V333-Q516 CarbonylContact C-O 3.6Å; V333-Q516 WeakPolarHBondContact CA-O 3.3Å; K334-Q516 PolarHBondContact N-O 3.04Å; V514-Q516 PolarHBondContact O-N 3.49Å; Q516-I617 HydrophobicContact CG-CG2 3.89Å; Q516-L621 HydrophobicContact CB-CD1 3.6Å; Q516-L621 HydrophobicContact CG-CD1 4.03Å
517	T	89.1	Confident	72.7	Confident	51 Å²	51	74.7 Å²	74.7	31%	0.313	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	132.8	168.2	-57.7	0	0	0	0	110	K334 Q336 Q614	K334-T517 CarbonylContact O-C 3.55Å; K334-T517 WeakPolarHBondContact O-CA 3.44Å; Q336-T517 HydrophobicContact CB-CG2 4.5Å; Q336-T517 HydrophobicContact CG-CG2 4.17Å; T517-Q614 PolarHBondContact O-NE2 3.01Å
518	C	91.1	Very high	75.3	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	110.2	174.3	-171	0	0	0	0	109.3	V333 K334 F335 Q336 Q614 A618	V333-C518 HydrophobicContact CG1-CB 4.33Å; K334-C518 PolarHBondContact O-N 3.15Å; F335-C518 WeakPolarHBondContact CA-O 3.42Å; F335-C518 HydrophobicContact CD1-CB 3.84Å; F335-C518 HydrophobicContact CE1-CB 4.06Å; Q336-C518 PolarHBondContact N-O 3.35Å; C518-Q614 HydrophobicContact CB-CG 4.35Å; C518-A618 HydrophobicContact CB-CB 4.1Å
519	V	90.8	Very high	78.2	Confident	54 Å²	54	61.4 Å²	61.4	33%	0.327	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	127.1	174.5	-177.7	0	0	0	0	108.2	Q336 P338 Q614	Q336-V519 CarbonylContact O-C 3.58Å; Q336-V519 VanDerWaalsContact O-CA 3.31Å; Q336-V519 WeakPolarHBondContact O-CA 3.46Å; P338-V519 HydrophobicContact CG-CG1 4.38Å; V519-Q614 VanDerWaalsContact N-CD 3.3Å
520	L	91.4	Very high	81.1	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	31%	0.311	C	S	.	.			trans	-126.3	142.7	179.8	-68.7	-175.4	0	0	0	109.2	F335 Q336 S337 P338 E524 I525 L528 F591	F335-L520 HydrophobicContact CB-CD1 4.4Å; F335-L520 HydrophobicContact CD1-CD1 3.35Å; F335-L520 HydrophobicContact CD1-CG 3.93Å; F335-L520 HydrophobicContact CE1-CD1 3.82Å; F335-L520 HydrophobicContact CG-CD1 4.09Å; Q336-L520 PolarHBondContact O-N 3.25Å; S337-L520 WeakPolarHBondContact CA-O 3.38Å; P338-L520 WeakPolarHBondContact CD-O 3.37Å; L520-E524 WeakPolarHBondContact CA-OE2 3.23Å; L520-E524 HydrophobicContact CB-CB 4.05Å; L520-E524 HydrophobicContact CD2-CB 4.43Å; L520-I525 HydrophobicContact CB-CD1 4.29Å; L520-I525 HydrophobicContact CB-CG1 3.7Å; L520-I525 HydrophobicContact CD1-CG1 4.33Å; L520-L528 HydrophobicContact CD1-CD1 3.69Å; L520-F591 HydrophobicContact CD1-CD1 4.1Å; L520-F591 HydrophobicContact CD1-CE1 4.4Å; L520-F591 HydrophobicContact CD1-CG 4.43Å; L520-F591 HydrophobicContact CD2-CB 3.65Å; L520-F591 HydrophobicContact CD2-CD1 4.13Å; L520-F591 HydrophobicContact CD2-CD2 3.87Å; L520-F591 HydrophobicContact CD2-CG 3.62Å
521	E	91.4	Very high	84.1	Confident	86 Å²	86	51.1 Å²	51.1	40%	0.402	29%	0.293	S	S	.	.			trans	-60.2	154.4	171.1	-60.6	-56.7	153.4	0	0	110.7	T523 E524 I525 K612	E521-T523 PolarHBondContact O-N 2.99Å; E521-T523 VanDerWaalsContact O-N 3.12Å; E521-E524 HydrophobicContact CB-CG 4.19Å; E521-E524 PolarHBondContact N-OE2 3.43Å; E521-E524 WeakPolarHBondContact O-CB 3.46Å; E521-E524 PolarHBondContact O-N 3.37Å; E521-I525 PolarHBondContact O-N 2.84Å; E521-K612 IonicContact OE1-NZ 2.71Å
522	S	91.8	Very high	87	Confident	28 Å²	28	48.7 Å²	48.7	20%	0.196	28%	0.277	C	S	.	.	H	α-helix	trans	-57.5	-32.3	-180	-64.1	0	0	0	0	112.9	Q316 H317 A526	Q316-S522 VanDerWaalsContact O-CA 3.25Å; Q316-S522 WeakPolarHBondContact O-CA 3.19Å; H317-S522 PolarHBondContact CE1-OG 2.88Å; H317-S522 VanDerWaalsContact CE1-OG 3.31Å; S522-A526 VanDerWaalsContact O-CB 3.29Å; S522-A526 WeakPolarHBondContact O-CB 3.36Å; S522-A526 PolarHBondContact O-N 2.8Å
523	T	92.7	Very high	89.7	Confident	56 Å²	56	42.6 Å²	42.6	34%	0.344	24%	0.243	S	C	.	.	H	α-helix	trans	-67.8	-36.9	174.6	48.9	0	0	0	0	112.5	E521 A526 L527 P666	E521-T523 PolarHBondContact O-N 2.99Å; E521-T523 VanDerWaalsContact O-N 3.12Å; T523-A526 PolarHBondContact O-N 3.05Å; T523-L527 WeakPolarHBondContact O-CB 3.44Å; T523-L527 PolarHBondContact O-N 3.39Å; T523-P666 HydrophobicContact CG2-CB 4.05Å
524	E	95.4	Very high	92.1	Very high	18 Å²	18	39.3 Å²	39.3	8%	0.084	22%	0.216	C	C	.	.	H	α-helix	trans	-72.1	-37.4	177.5	-65.1	174.3	137.5	0	0	111.3	L520 E521 L527 L528 G590 F591 H615	L520-E524 WeakPolarHBondContact CA-OE2 3.23Å; L520-E524 HydrophobicContact CB-CB 4.05Å; L520-E524 HydrophobicContact CD2-CB 4.43Å; E521-E524 HydrophobicContact CB-CG 4.19Å; E521-E524 PolarHBondContact N-OE2 3.43Å; E521-E524 WeakPolarHBondContact O-CB 3.46Å; E521-E524 PolarHBondContact O-N 3.37Å; E524-L527 WeakPolarHBondContact O-CB 3.32Å; E524-L527 PolarHBondContact O-N 2.95Å; E524-L528 PolarHBondContact O-N 3.48Å; E524-G590 WeakPolarHBondContact OE1-CA 3.44Å; E524-F591 HydrophobicContact CB-CB 4.41Å; E524-F591 HydrophobicContact CG-CB 4.29Å; E524-F591 PolarHBondContact OE1-N 3.23Å; E524-H615 IonicContact OE1-CE1 3.55Å; E524-H615 PolarHBondContact OE1-CE1 2.84Å; E524-H615 IonicContact OE2-CE1 3.37Å
525	I	96	Very high	93.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.6	-44.6	172.2	-62	175	0	0	0	110.5	Q316 V319 L520 E521 L527 L528 N529	Q316-I525 WeakPolarHBondContact O-CB 3.12Å; V319-I525 HydrophobicContact CG2-CG2 4.07Å; L520-I525 HydrophobicContact CB-CD1 4.29Å; L520-I525 HydrophobicContact CB-CG1 3.7Å; L520-I525 HydrophobicContact CD1-CG1 4.33Å; E521-I525 PolarHBondContact O-N 2.84Å; I525-L527 VanDerWaalsContact C-N 3.27Å; I525-L527 PolarHBondContact O-N 2.87Å; I525-L528 PolarHBondContact O-N 3.39Å; I525-N529 PolarHBondContact O-N 2.92Å; I525-N529 PolarHBondContact O-ND2 3.17Å
526	A	96.4	Very high	94.7	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.033	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-37.6	174.5	0	0	0	0	0	112	R315 Q316 S522 T523 N529 N530 H808	R315-A526 VanDerWaalsContact O-CA 3.31Å; R315-A526 WeakPolarHBondContact O-CA 3.07Å; R315-A526 PolarHBondContact O-N 3.4Å; Q316-A526 HydrophobicContact CG-CB 4.49Å; S522-A526 VanDerWaalsContact O-CB 3.29Å; S522-A526 WeakPolarHBondContact O-CB 3.36Å; S522-A526 PolarHBondContact O-N 2.8Å; T523-A526 PolarHBondContact O-N 3.05Å; A526-N529 PolarHBondContact O-N 3.13Å; A526-N530 PolarHBondContact O-N 2.96Å; A526-N530 VanDerWaalsContact O-N 3.13Å; A526-H808 HydrophobicContact CB-CB 3.84Å
527	L	97	Very high	95.2	Very high	17 Å²	17	29.3 Å²	29.3	9%	0.089	16%	0.164	C	C	.	.	H	α-helix	trans	-58.3	-53.4	172.6	165.4	63.3	0	0	0	110	T523 E524 I525 N529 N530 Y533 H534 F591 H808	T523-L527 WeakPolarHBondContact O-CB 3.44Å; T523-L527 PolarHBondContact O-N 3.39Å; E524-L527 WeakPolarHBondContact O-CB 3.32Å; E524-L527 PolarHBondContact O-N 2.95Å; I525-L527 VanDerWaalsContact C-N 3.27Å; I525-L527 PolarHBondContact O-N 2.87Å; L527-N529 PolarHBondContact O-N 2.98Å; L527-N530 WeakPolarHBondContact O-CA 3.48Å; L527-N530 WeakPolarHBondContact O-CB 3.45Å; L527-N530 PolarHBondContact O-N 3.29Å; L527-Y533 HydrophobicContact CD1-CD1 3.64Å; L527-Y533 HydrophobicContact CD1-CD2 4.46Å; L527-Y533 HydrophobicContact CD1-CE1 3.5Å; L527-Y533 HydrophobicContact CD1-CE2 4.34Å; L527-Y533 HydrophobicContact CD1-CG 4.14Å; L527-H534 PolarHBondContact O-CE1 2.85Å; L527-F591 WeakPolarHBondContact CD2-O 3.06Å; L527-H808 HydrophobicContact CB-CB 4.16Å; L527-H808 VanDerWaalsContact CD1-CE1 3.4Å; L527-H808 WeakPolarHBondContact CD1-CE1 3.35Å
528	L	96.9	Very high	95.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-57.4	-36.6	178.9	-70.1	177.5	0	0	0	112.7	V319 I321 I324 F335 L520 E524 I525 N530 F591 I593	V319-L528 HydrophobicContact CG2-CB 4.4Å; V319-L528 HydrophobicContact CG2-CD1 3.87Å; I321-L528 WeakPolarHBondContact CD1-O 3.19Å; I324-L528 WeakPolarHBondContact CD1-O 2.87Å; F335-L528 HydrophobicContact CE1-CD1 4.41Å; F335-L528 HydrophobicContact CE2-CD1 4.43Å; F335-L528 HydrophobicContact CZ-CD1 4.34Å; L520-L528 HydrophobicContact CD1-CD1 3.69Å; E524-L528 PolarHBondContact O-N 3.48Å; I525-L528 PolarHBondContact O-N 3.39Å; L528-N530 PolarHBondContact O-N 3.15Å; L528-F591 HydrophobicContact CD1-CD1 4.3Å; L528-F591 HydrophobicContact CD1-CE1 4.02Å; L528-F591 HydrophobicContact CD2-CD1 4.35Å; L528-F591 HydrophobicContact CD2-CE1 4.06Å; L528-F591 HydrophobicContact CG-CE1 4.47Å; L528-I593 HydrophobicContact CD2-CD1 4.05Å; L528-I593 HydrophobicContact CD2-CG1 4.15Å; L528-I593 HydrophobicContact CD2-CG2 3.93Å
529	N	96.9	Very high	96	Very high	27 Å²	27	34.6 Å²	34.6	14%	0.144	19%	0.185	C	C	.	.	H	α-helix	trans	-75.2	-8.2	175.2	-72.1	-44.3	0	0	0	114.1	R315 R318 G320 I525 A526 L527 I531	R315-N529 WeakPolarHBondContact CA-ND2 3.17Å; R315-N529 HydrophobicContact CB-CB 4.32Å; R315-N529 PolarHBondContact O-ND2 2.97Å; R318-N529 PolarHBondContact O-ND2 2.69Å; G320-N529 PolarHBondContact N-OD1 2.75Å; I525-N529 PolarHBondContact O-N 2.92Å; I525-N529 PolarHBondContact O-ND2 3.17Å; A526-N529 PolarHBondContact O-N 3.13Å; L527-N529 PolarHBondContact O-N 2.98Å; N529-I531 PolarHBondContact O-N 3.38Å; N529-I531 VanDerWaalsContact O-N 3.08Å
530	N	97.5	Very high	96.3	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.032	17%	0.17	C	C	.	.			trans	-81.8	83.3	176.4	-168.5	-29.5	0	0	0	111.2	A526 L527 L528 P532 Y533 H534 A806	A526-N530 PolarHBondContact O-N 2.96Å; A526-N530 VanDerWaalsContact O-N 3.13Å; L527-N530 WeakPolarHBondContact O-CA 3.48Å; L527-N530 WeakPolarHBondContact O-CB 3.45Å; L527-N530 PolarHBondContact O-N 3.29Å; L528-N530 PolarHBondContact O-N 3.15Å; N530-P532 WeakPolarHBondContact OD1-CD 3.48Å; N530-Y533 WeakPolarHBondContact O-CB 3.37Å; N530-Y533 PolarHBondContact O-N 2.94Å; N530-Y533 VanDerWaalsContact OD1-CB 3.27Å; N530-Y533 WeakPolarHBondContact OD1-CB 3.49Å; N530-Y533 PolarHBondContact OD1-N 3.41Å; N530-H534 PolarHBondContact O-ND1 3.06Å; N530-A806 WeakPolarHBondContact CB-O 3.32Å; N530-A806 PolarHBondContact ND2-O 2.85Å
531	I	97.4	Very high	96.6	Very high	82 Å²	82	32 Å²	32	42%	0.421	17%	0.17	S	C	.	.	H	α-helix	trans	-60.5	-46.7	-180	-58.8	168	0	0	0	112.4	I321 I324 N529 Y533 H534 E535	I321-I531 HydrophobicContact CG2-CD1 4.31Å; I324-I531 HydrophobicContact CD1-CG1 4.41Å; N529-I531 PolarHBondContact O-N 3.38Å; N529-I531 VanDerWaalsContact O-N 3.08Å; I531-Y533 VanDerWaalsContact C-N 3.25Å; I531-Y533 PolarHBondContact O-N 2.89Å; I531-H534 PolarHBondContact O-N 3Å; I531-E535 HydrophobicContact CG2-CG 4.12Å; I531-E535 PolarHBondContact O-N 2.85Å
532	P	97.6	Very high	96.9	Very high	82 Å²	82	30.1 Å²	30.1	53%	0.532	17%	0.166	S	C	.	.	H	α-helix	trans	-58.3	-34.5	179.9	-26.1	35.9	0	0	0	114	N530 G536	N530-P532 WeakPolarHBondContact OD1-CD 3.48Å; P532-G536 PolarHBondContact O-N 2.79Å
533	Y	98	Very high	97	Very high	18 Å²	18	32.5 Å²	32.5	7%	0.071	17%	0.173	C	C	.	.	H	α-helix	trans	-57.7	-55.6	174.5	175.3	-88.7	0	0	0	111.5	L527 N530 I531 G536 F537 L594 L800 H808 W809	L527-Y533 HydrophobicContact CD1-CD1 3.64Å; L527-Y533 HydrophobicContact CD1-CD2 4.46Å; L527-Y533 HydrophobicContact CD1-CE1 3.5Å; L527-Y533 HydrophobicContact CD1-CE2 4.34Å; L527-Y533 HydrophobicContact CD1-CG 4.14Å; N530-Y533 WeakPolarHBondContact O-CB 3.37Å; N530-Y533 PolarHBondContact O-N 2.94Å; N530-Y533 VanDerWaalsContact OD1-CB 3.27Å; N530-Y533 WeakPolarHBondContact OD1-CB 3.49Å; N530-Y533 PolarHBondContact OD1-N 3.41Å; I531-Y533 VanDerWaalsContact C-N 3.25Å; I531-Y533 PolarHBondContact O-N 2.89Å; Y533-G536 PolarHBondContact O-N 2.84Å; Y533-F537 HydrophobicContact CD1-CD2 4.11Å; Y533-F537 HydrophobicContact CD1-CE2 4.42Å; Y533-F537 HydrophobicContact CD2-CD2 4.27Å; Y533-F537 AromaticContact CD2-CE2 3.97Å; Y533-F537 HydrophobicContact CD2-CE2 3.97Å; Y533-F537 AromaticContact CE1-CD2 3.84Å; Y533-F537 HydrophobicContact CE1-CD2 3.84Å; Y533-F537 AromaticContact CE1-CE2 3.91Å; Y533-F537 HydrophobicContact CE1-CE2 3.91Å; Y533-F537 HydrophobicContact CE2-CD2 4.02Å; Y533-F537 AromaticContact CE2-CE2 3.39Å; Y533-F537 HydrophobicContact CE2-CE2 3.39Å; Y533-F537 HydrophobicContact CE2-CZ 4.39Å; Y533-F537 HydrophobicContact CG-CD2 4.31Å; Y533-F537 HydrophobicContact CG-CE2 4.45Å; Y533-F537 AromaticContact CZ-CD2 3.8Å; Y533-F537 AromaticContact CZ-CE2 3.35Å; Y533-F537 WeakPolarHBondContact O-CD2 3.22Å; Y533-F537 PolarHBondContact O-N 2.84Å; Y533-L594 HydrophobicContact CD1-CD2 4.48Å; Y533-L594 HydrophobicContact CE1-CD1 4.05Å; Y533-L594 HydrophobicContact CE1-CD2 3.83Å; Y533-L594 HydrophobicContact CE1-CG 4.15Å; Y533-L594 WeakPolarHBondContact OH-CD1 3.46Å; Y533-L800 HydrophobicContact CD2-CD1 3.69Å; Y533-L800 HydrophobicContact CD2-CD2 4.42Å; Y533-L800 HydrophobicContact CE2-CD1 3.9Å; Y533-H808 AromaticContact CD2-CE1 3.92Å; Y533-H808 AromaticContact CE2-CE1 4Å; Y533-W809 AromaticContact CD2-CH2 3.67Å; Y533-W809 HydrophobicContact CD2-CH2 3.67Å; Y533-W809 HydrophobicContact CD2-CZ3 4.17Å; Y533-W809 AromaticContact CE2-CH2 3.55Å; Y533-W809 HydrophobicContact CE2-CH2 3.55Å; Y533-W809 HydrophobicContact CE2-CZ2 4.18Å; Y533-W809 HydrophobicContact CE2-CZ3 4.46Å
534	H	98.3	Very high	97.2	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-67.6	-41.6	-174.9	-66.8	91.7	0	0	0	112.6	I324 A325 L527 N530 I531 G536 F537 K538 I593 I597	I324-H534 HydrophobicContact CD1-CB 3.75Å; I324-H534 VanDerWaalsContact CD1-CG 3.48Å; I324-H534 VanDerWaalsContact CD1-ND1 3.27Å; I324-H534 WeakPolarHBondContact CD1-ND1 3.38Å; I324-H534 HydrophobicContact CG1-CB 3.73Å; A325-H534 HydrophobicContact CB-CB 3.82Å; L527-H534 PolarHBondContact O-CE1 2.85Å; N530-H534 PolarHBondContact O-ND1 3.06Å; I531-H534 PolarHBondContact O-N 3Å; H534-G536 VanDerWaalsContact C-N 3.35Å; H534-F537 PolarHBondContact O-N 3.12Å; H534-K538 WeakPolarHBondContact O-CB 3.5Å; H534-K538 PolarHBondContact O-N 2.93Å; H534-I593 WeakPolarHBondContact NE2-CG1 3.22Å; H534-I597 HydrophobicContact CB-CD1 4.01Å
535	E	98	Very high	97.1	Very high	72 Å²	72	29.9 Å²	29.9	34%	0.336	16%	0.158	S	C	.	.	H	α-helix	trans	-66.2	-37.5	175.3	-69.6	-65.1	173.1	0	0	111.9	A325 I531 K538 M539	A325-E535 VanDerWaalsContact CA-OE1 3.29Å; A325-E535 WeakPolarHBondContact CA-OE1 3.26Å; A325-E535 PolarHBondContact N-OE1 2.92Å; I531-E535 HydrophobicContact CG2-CG 4.12Å; I531-E535 PolarHBondContact O-N 2.85Å; E535-K538 PolarHBondContact O-N 3.29Å; E535-K538 WeakPolarHBondContact OE2-CD 3.45Å; E535-M539 WeakPolarHBondContact O-CG 3.38Å; E535-M539 PolarHBondContact O-N 2.94Å
536	G	98	Very high	96.8	Very high	8 Å²	8	33.6 Å²	33.6	8%	0.082	18%	0.183	C	C	.	.	H	α-helix	trans	-58.5	-48.9	173.9	0	0	0	0	0	112.1	P532 Y533 H534 M539 A540	P532-G536 PolarHBondContact O-N 2.79Å; Y533-G536 PolarHBondContact O-N 2.84Å; H534-G536 VanDerWaalsContact C-N 3.35Å; G536-M539 PolarHBondContact O-N 3.24Å; G536-A540 WeakPolarHBondContact O-CB 3.33Å; G536-A540 PolarHBondContact O-N 2.82Å
537	F	98.4	Very high	96.6	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.013	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-44.5	175.5	-90	-77.9	0	0	0	112.7	Y533 H534 M539 A540 M541 L594 I660 F692 L794 L800	Y533-F537 HydrophobicContact CD1-CD2 4.11Å; Y533-F537 HydrophobicContact CD1-CE2 4.42Å; Y533-F537 HydrophobicContact CD2-CD2 4.27Å; Y533-F537 AromaticContact CD2-CE2 3.97Å; Y533-F537 HydrophobicContact CD2-CE2 3.97Å; Y533-F537 AromaticContact CE1-CD2 3.84Å; Y533-F537 HydrophobicContact CE1-CD2 3.84Å; Y533-F537 AromaticContact CE1-CE2 3.91Å; Y533-F537 HydrophobicContact CE1-CE2 3.91Å; Y533-F537 HydrophobicContact CE2-CD2 4.02Å; Y533-F537 AromaticContact CE2-CE2 3.39Å; Y533-F537 HydrophobicContact CE2-CE2 3.39Å; Y533-F537 HydrophobicContact CE2-CZ 4.39Å; Y533-F537 HydrophobicContact CG-CD2 4.31Å; Y533-F537 HydrophobicContact CG-CE2 4.45Å; Y533-F537 AromaticContact CZ-CD2 3.8Å; Y533-F537 AromaticContact CZ-CE2 3.35Å; Y533-F537 WeakPolarHBondContact O-CD2 3.22Å; Y533-F537 PolarHBondContact O-N 2.84Å; H534-F537 PolarHBondContact O-N 3.12Å; F537-M539 VanDerWaalsContact C-N 3.34Å; F537-M539 PolarHBondContact O-N 3.31Å; F537-A540 PolarHBondContact O-N 2.97Å; F537-M541 HydrophobicContact CB-CE 4.29Å; F537-M541 WeakPolarHBondContact O-CB 3.4Å; F537-M541 VanDerWaalsContact O-CG 3.27Å; F537-M541 WeakPolarHBondContact O-CG 3.4Å; F537-M541 PolarHBondContact O-N 3.15Å; F537-L594 HydrophobicContact CB-CD2 3.7Å; F537-L594 HydrophobicContact CD1-CD1 3.94Å; F537-L594 HydrophobicContact CD1-CD2 4.4Å; F537-L594 HydrophobicContact CD2-CD1 3.97Å; F537-L594 HydrophobicContact CD2-CD2 3.91Å; F537-L594 HydrophobicContact CE1-CD1 3.94Å; F537-L594 HydrophobicContact CE2-CD1 3.98Å; F537-L594 HydrophobicContact CG-CD1 3.96Å; F537-L594 HydrophobicContact CG-CD2 3.75Å; F537-L594 HydrophobicContact CZ-CD1 3.96Å; F537-I660 HydrophobicContact CD1-CD1 4.29Å; F537-I660 HydrophobicContact CE1-CD1 4.24Å; F537-I660 HydrophobicContact CE1-CG1 4.32Å; F537-I660 HydrophobicContact CE1-CG2 3.69Å; F537-I660 HydrophobicContact CZ-CG2 3.99Å; F537-F692 HydrophobicContact CD1-CD2 4.26Å; F537-F692 HydrophobicContact CE1-CB 3.88Å; F537-F692 HydrophobicContact CE1-CD2 4.25Å; F537-F692 HydrophobicContact CE1-CG 4.43Å; F537-L794 HydrophobicContact CB-CD1 4.41Å; F537-L794 HydrophobicContact CD1-CD1 3.95Å; F537-L794 HydrophobicContact CD1-CD2 4.37Å; F537-L794 HydrophobicContact CD2-CD1 3.91Å; F537-L794 HydrophobicContact CE1-CD1 4.16Å; F537-L794 HydrophobicContact CE1-CD2 3.77Å; F537-L794 HydrophobicContact CE2-CD1 4.09Å; F537-L794 HydrophobicContact CE2-CD2 4.16Å; F537-L794 HydrophobicContact CG-CD1 3.83Å; F537-L794 HydrophobicContact CZ-CD1 4.23Å; F537-L794 HydrophobicContact CZ-CD2 3.65Å; F537-L800 HydrophobicContact CD2-CD1 4.26Å; F537-L800 HydrophobicContact CE2-CD1 3.58Å; F537-L800 HydrophobicContact CZ-CD1 4.28Å
538	K	98.2	Very high	96.1	Very high	53 Å²	53	37.9 Å²	37.9	23%	0.23	21%	0.211	C	C	.	.	H	α-helix	trans	-55.2	-48.9	176.3	-175	-168	-173.4	159.9	0	111.9	A325 H534 E535 S542 I597 L601	A325-K538 VanDerWaalsContact C-NZ 3.31Å; A325-K538 HydrophobicContact CB-CB 4.35Å; A325-K538 HydrophobicContact CB-CD 4.23Å; A325-K538 VanDerWaalsContact O-CD 3.28Å; A325-K538 WeakPolarHBondContact O-CD 3.47Å; A325-K538 VanDerWaalsContact O-CE 3.28Å; A325-K538 WeakPolarHBondContact O-CE 3.26Å; A325-K538 PolarHBondContact O-NZ 3.23Å; H534-K538 WeakPolarHBondContact O-CB 3.5Å; H534-K538 PolarHBondContact O-N 2.93Å; E535-K538 PolarHBondContact O-N 3.29Å; E535-K538 WeakPolarHBondContact OE2-CD 3.45Å; K538-S542 WeakPolarHBondContact O-CB 3.25Å; K538-S542 PolarHBondContact O-N 3.48Å; K538-S542 PolarHBondContact O-OG 2.89Å; K538-I597 HydrophobicContact CB-CG2 3.82Å; K538-I597 HydrophobicContact CG-CG2 4.03Å; K538-L601 HydrophobicContact CG-CD2 3.96Å
539	M	97.8	Very high	94.7	Very high	110 Å²	110	41.7 Å²	41.7	54%	0.542	24%	0.235	S	C	.	.	H	α-helix	trans	-63.9	-47.1	178.8	-72.6	-179.3	62.1	0	0	111.6	E535 G536 F537 S542 K543 I798	E535-M539 WeakPolarHBondContact O-CG 3.38Å; E535-M539 PolarHBondContact O-N 2.94Å; G536-M539 PolarHBondContact O-N 3.24Å; F537-M539 VanDerWaalsContact C-N 3.34Å; F537-M539 PolarHBondContact O-N 3.31Å; M539-S542 PolarHBondContact O-N 2.78Å; M539-K543 WeakPolarHBondContact O-CG 3.47Å; M539-K543 PolarHBondContact O-N 3.34Å; M539-K543 VanDerWaalsContact O-N 3.07Å; M539-I798 HydrophobicContact CB-CD1 3.7Å
540	A	97.9	Very high	92.6	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-46.2	-178.6	0	0	0	0	0	112.1	G536 F537 S542 K543 V544 F692 L794 I798	G536-A540 WeakPolarHBondContact O-CB 3.33Å; G536-A540 PolarHBondContact O-N 2.82Å; F537-A540 PolarHBondContact O-N 2.97Å; A540-S542 VanDerWaalsContact C-N 3.34Å; A540-S542 PolarHBondContact O-N 3.38Å; A540-K543 PolarHBondContact O-N 3.43Å; A540-V544 PolarHBondContact O-N 2.92Å; A540-V544 VanDerWaalsContact O-N 3.16Å; A540-F692 HydrophobicContact CB-CE1 4.24Å; A540-F692 HydrophobicContact CB-CE2 3.96Å; A540-F692 HydrophobicContact CB-CZ 3.68Å; A540-L794 HydrophobicContact CB-CB 3.65Å; A540-L794 HydrophobicContact CB-CD1 4.09Å; A540-I798 HydrophobicContact CB-CD1 3.99Å
541	M	97.6	Very high	90	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.1	-44.6	175.4	-70	-170.3	-69.8	0	0	111.2	F537 K543 V544 L545 I597 A598 L601 I658 I660 F692	F537-M541 HydrophobicContact CB-CE 4.29Å; F537-M541 WeakPolarHBondContact O-CB 3.4Å; F537-M541 VanDerWaalsContact O-CG 3.27Å; F537-M541 WeakPolarHBondContact O-CG 3.4Å; F537-M541 PolarHBondContact O-N 3.15Å; M541-K543 VanDerWaalsContact C-N 3.33Å; M541-K543 PolarHBondContact O-N 2.9Å; M541-V544 PolarHBondContact O-N 3.47Å; M541-L545 VanDerWaalsContact O-CG 3.27Å; M541-L545 WeakPolarHBondContact O-CG 3.25Å; M541-L545 PolarHBondContact O-N 2.88Å; M541-I597 HydrophobicContact CE-CB 4.13Å; M541-I597 HydrophobicContact CE-CG2 3.67Å; M541-A598 HydrophobicContact CE-CB 4.06Å; M541-A598 HydrophobicContact SD-CB 3.61Å; M541-L601 HydrophobicContact CB-CD1 3.54Å; M541-L601 HydrophobicContact CE-CD1 4.19Å; M541-I658 HydrophobicContact CB-CD1 4.03Å; M541-I658 HydrophobicContact CG-CD1 3.92Å; M541-I660 HydrophobicContact SD-CD1 4.31Å; M541-F692 HydrophobicContact CB-CE2 4.49Å; M541-F692 HydrophobicContact CG-CD2 4.29Å; M541-F692 HydrophobicContact CG-CE2 3.75Å
542	S	96.3	Very high	87.6	Confident	46 Å²	46	58.6 Å²	58.6	32%	0.322	32%	0.317	S	S	.	.	H	α-helix	trans	-58.7	-41.6	178.2	-60.4	0	0	0	0	112.7	K538 M539 A540 S546 L601	K538-S542 WeakPolarHBondContact O-CB 3.25Å; K538-S542 PolarHBondContact O-N 3.48Å; K538-S542 PolarHBondContact O-OG 2.89Å; M539-S542 PolarHBondContact O-N 2.78Å; A540-S542 VanDerWaalsContact C-N 3.34Å; A540-S542 PolarHBondContact O-N 3.38Å; S542-S546 WeakPolarHBondContact O-CB 3.5Å; S542-S546 PolarHBondContact O-N 2.77Å; S542-S546 VanDerWaalsContact O-N 3.07Å; S542-S546 PolarHBondContact O-OG 3.26Å; S542-L601 WeakPolarHBondContact OG-CD2 3.15Å
543	K	95.6	Very high	84.7	Confident	78 Å²	78	61.8 Å²	61.8	34%	0.339	33%	0.329	S	S	.	.	H	α-helix	trans	-63.5	-42.9	176.6	-71.4	179.9	78.6	179.8	0	111.7	M539 A540 M541 S546 S547 D795 E797 I798	M539-K543 WeakPolarHBondContact O-CG 3.47Å; M539-K543 PolarHBondContact O-N 3.34Å; M539-K543 VanDerWaalsContact O-N 3.07Å; A540-K543 PolarHBondContact O-N 3.43Å; M541-K543 VanDerWaalsContact C-N 3.33Å; M541-K543 PolarHBondContact O-N 2.9Å; K543-S546 PolarHBondContact O-OG 2.98Å; K543-S547 WeakPolarHBondContact O-CB 3.31Å; K543-S547 PolarHBondContact O-N 2.7Å; K543-S547 VanDerWaalsContact O-N 3.07Å; K543-D795 WeakPolarHBondContact CD-OD2 3.48Å; K543-D795 WeakPolarHBondContact CE-OD2 3.33Å; K543-D795 IonicContact NZ-OD2 2.8Å; K543-D795 PolarHBondContact NZ-OD2 3.32Å; K543-E797 IonicContact NZ-OE2 2.79Å; K543-E797 PolarHBondContact NZ-OE2 2.72Å; K543-I798 HydrophobicContact CD-CD1 4.15Å
544	V	95	Very high	81.5	Confident	10 Å²	10	71.2 Å²	71.2	6%	0.061	37%	0.366	C	S	.	.	H	α-helix	trans	-65.3	-51	178.6	174.8	0	0	0	0	111	A540 M541 S546 S547 L548 I658 K690 F692	A540-V544 PolarHBondContact O-N 2.92Å; A540-V544 VanDerWaalsContact O-N 3.16Å; M541-V544 PolarHBondContact O-N 3.47Å; V544-S546 VanDerWaalsContact C-N 3.33Å; V544-S546 PolarHBondContact O-N 2.92Å; V544-S547 PolarHBondContact O-N 2.88Å; V544-S547 VanDerWaalsContact O-N 3.13Å; V544-S547 PolarHBondContact O-OG 2.97Å; V544-L548 HydrophobicContact CG1-CD1 3.76Å; V544-L548 HydrophobicContact CG1-CG 4.44Å; V544-L548 WeakPolarHBondContact O-CG 3.34Å; V544-L548 PolarHBondContact O-N 3.11Å; V544-L548 VanDerWaalsContact O-N 3.11Å; V544-I658 HydrophobicContact CB-CD1 4.05Å; V544-I658 HydrophobicContact CB-CG1 4.34Å; V544-I658 HydrophobicContact CG1-CD1 4.02Å; V544-I658 HydrophobicContact CG1-CG1 3.81Å; V544-K690 HydrophobicContact CG1-CB 4.44Å; V544-K690 HydrophobicContact CG1-CG 4.06Å; V544-K690 HydrophobicContact CG2-CB 4.11Å; V544-K690 HydrophobicContact CG2-CG 3.59Å; V544-F692 HydrophobicContact CG2-CE1 4.23Å; V544-F692 HydrophobicContact CG2-CZ 3.63Å
545	L	93.7	Very high	78.3	Confident	9 Å²	9	80.1 Å²	80.1	5%	0.047	41%	0.408	C	S	.	.	H	α-helix	trans	-62	-39.1	-176.8	-62.4	175.3	0	0	0	112.4	M541 L548 T549 F582 L601 V604 I658	M541-L545 VanDerWaalsContact O-CG 3.27Å; M541-L545 WeakPolarHBondContact O-CG 3.25Å; M541-L545 PolarHBondContact O-N 2.88Å; L545-L548 PolarHBondContact O-N 2.7Å; L545-T549 PolarHBondContact O-OG1 2.84Å; L545-F582 HydrophobicContact CB-CD2 4.43Å; L545-F582 HydrophobicContact CB-CE2 4.35Å; L545-F582 HydrophobicContact CD2-CB 3.66Å; L545-F582 HydrophobicContact CD2-CD1 4.27Å; L545-F582 HydrophobicContact CD2-CD2 3.63Å; L545-F582 HydrophobicContact CD2-CE2 4.25Å; L545-F582 HydrophobicContact CD2-CG 3.6Å; L545-L601 HydrophobicContact CD1-CB 3.93Å; L545-L601 HydrophobicContact CD1-CD1 4.45Å; L545-V604 HydrophobicContact CD1-CG2 3.71Å; L545-V604 HydrophobicContact CD2-CG2 4.5Å; L545-I658 HydrophobicContact CD2-CD1 4.12Å; L545-I658 HydrophobicContact CG-CD1 4.23Å
546	S	91.3	Very high	75.2	Confident	77 Å²	77	82.8 Å²	82.8	54%	0.538	43%	0.429	S	S	.	.	H	α-helix	trans	-68.7	-37.2	174.4	55.2	0	0	0	0	113.2	S542 K543 V544 L548 T549	S542-S546 WeakPolarHBondContact O-CB 3.5Å; S542-S546 PolarHBondContact O-N 2.77Å; S542-S546 VanDerWaalsContact O-N 3.07Å; S542-S546 PolarHBondContact O-OG 3.26Å; K543-S546 PolarHBondContact O-OG 2.98Å; V544-S546 VanDerWaalsContact C-N 3.33Å; V544-S546 PolarHBondContact O-N 2.92Å; S546-L548 VanDerWaalsContact C-N 3.28Å; S546-L548 PolarHBondContact O-N 2.85Å; S546-T549 PolarHBondContact O-N 3.4Å; S546-T549 PolarHBondContact O-OG1 2.62Å
547	S	90.6	Very high	72.2	Confident	74 Å²	74	90.6 Å²	90.6	52%	0.517	47%	0.465	S	S	.	.	H	α-helix	trans	-65.9	-30.8	176.8	77.1	0	0	0	0	113.4	K543 V544 T549	K543-S547 WeakPolarHBondContact O-CB 3.31Å; K543-S547 PolarHBondContact O-N 2.7Å; K543-S547 VanDerWaalsContact O-N 3.07Å; V544-S547 PolarHBondContact O-N 2.88Å; V544-S547 VanDerWaalsContact O-N 3.13Å; V544-S547 PolarHBondContact O-OG 2.97Å; S547-T549 PolarHBondContact O-N 3.49Å
548	L	86.9	Confident	69.2	Low	37 Å²	37	98 Å²	98	19%	0.194	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-8.3	178.5	-68.2	165.1	0	0	0	112.8	V544 L545 S546 F582 Q686 S687	V544-L548 HydrophobicContact CG1-CD1 3.76Å; V544-L548 HydrophobicContact CG1-CG 4.44Å; V544-L548 WeakPolarHBondContact O-CG 3.34Å; V544-L548 PolarHBondContact O-N 3.11Å; V544-L548 VanDerWaalsContact O-N 3.11Å; L545-L548 PolarHBondContact O-N 2.7Å; S546-L548 VanDerWaalsContact C-N 3.28Å; S546-L548 PolarHBondContact O-N 2.85Å; L548-F582 HydrophobicContact CB-CE1 3.66Å; L548-F582 HydrophobicContact CB-CZ 3.83Å; L548-F582 HydrophobicContact CD1-CD1 4.3Å; L548-F582 HydrophobicContact CD1-CE1 4Å; L548-F582 HydrophobicContact CG-CE1 4.47Å; L548-Q686 VanDerWaalsContact CD1-NE2 3.3Å; L548-S687 VanDerWaalsContact CD2-O 3.32Å; L548-S687 WeakPolarHBondContact CD2-O 3.42Å
549	T	67.9	Low	66	Low	82 Å²	82	102.4 Å²	102.4	50%	0.503	54%	0.537	S	S	.	.			trans	-122.7	70.4	179.7	32.6	0	0	0	0	113.3	L545 S546 S547 E551 F582	L545-T549 PolarHBondContact O-OG1 2.84Å; S546-T549 PolarHBondContact O-N 3.4Å; S546-T549 PolarHBondContact O-OG1 2.62Å; S547-T549 PolarHBondContact O-N 3.49Å; T549-E551 VanDerWaalsContact C-N 3.35Å; T549-E551 PolarHBondContact O-N 2.97Å; T549-F582 HydrophobicContact CG2-CE2 4.2Å; T549-F582 HydrophobicContact CG2-CZ 3.7Å
550	P	52.9	Low	62.9	Low	103 Å²	103	106.1 Å²	106.1	67%	0.669	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-73.6	-17.4	179.4	-14.9	30.1	0	0	0	115	K552	P550-K552 PolarHBondContact O-N 3.2Å
551	E	42.8	Very low	59.6	Low	184 Å²	184	111.8 Å²	111.8	86%	0.86	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-89	7	-162.9	-72.6	-171.5	164.3	0	0	117.1	T549	T549-E551 VanDerWaalsContact C-N 3.35Å; T549-E551 PolarHBondContact O-N 2.97Å
552	K	47.1	Very low	56.3	Low	182 Å²	182	121 Å²	121	79%	0.791	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-130.9	23.1	-174.2	-74.2	-173.5	179.9	175.4	0	117.2	P550	P550-K552 PolarHBondContact O-N 3.2Å
553	L	35.5	Very low	53.1	Low	150 Å²	150	126.3 Å²	126.3	79%	0.785	66%	0.659	S	S	*	*	S	Bend	trans	-110	-5.1	173	-133.3	82.4	0	0	0	115.7
554	Y	32.2	Very low	50	Low	216 Å²	216	131.8 Å²	131.8	85%	0.847	69%	0.685	S	S	*	*	S	Bend	trans	-117.4	7.9	-173.4	-77.3	-71.3	0	0	0	116.9
555	Q	30.6	Very low	47	Very low	187 Å²	187	139.7 Å²	139.7	87%	0.874	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	41.8	176.5	-76.7	-170.4	-12.5	0	0	114.1
556	T	33.7	Very low	43.9	Very low	129 Å²	129	147.1 Å²	147.1	79%	0.791	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	18.4	170.3	29.8	0	0	0	0	114.1
557	M	34.6	Very low	41.2	Very low	171 Å²	171	149.2 Å²	149.2	84%	0.842	78%	0.778	S	S	*	*	S	Bend	trans	-142	82.9	167.5	-65.1	-157.2	111.3	0	0	110.8
558	D	35.6	Very low	38.3	Very low	159 Å²	159	149.1 Å²	149.1	85%	0.85	79%	0.789	S	S	*	*			trans	163	90.2	138.2	-90.1	-20.4	0	0	0	110.3
559	T	30.1	Very low	36.1	Very low	145 Å²	145	154.9 Å²	154.9	89%	0.89	83%	0.826	S	S	*	*			trans	-152.8	79.2	149.1	45	0	0	0	0	109.4
560	H	33.4	Very low	34.3	Very low	189 Å²	189	154 Å²	154	88%	0.875	83%	0.833	S	S	*	*			trans	-110.6	135.3	146.5	-96.2	-55.3	0	0	0	108
561	C	27.8	Very low	33.5	Very low	120 Å²	120	158.9 Å²	158.9	81%	0.811	85%	0.847	S	S	*	*			trans	84.9	97.5	175.4	-57.4	0	0	0	0	116.7
562	Q	28.8	Very low	32.9	Very low	192 Å²	192	154.3 Å²	154.3	90%	0.897	84%	0.835	S	S	*	*				178.3	134	91.5	-90.2	-179.4	-6.9	0	0	111.1
563	N	29.8	Very low	32.3	Very low	159 Å²	159	153.1 Å²	153.1	85%	0.85	84%	0.838	S	S	*	*			trans	-69.4	142.7	164.7	-76.3	-29.6	0	0	0	109.9
564	E	29.9	Very low	32.2	Very low	192 Å²	192	151.4 Å²	151.4	90%	0.897	83%	0.834	S	S	*	*				178.3	158.6	113.8	-97	-177.9	-175.1	0	0	113
565	M	31.5	Very low	32.4	Very low	177 Å²	177	147 Å²	147	87%	0.872	83%	0.829	S	S	*	*			trans	-48.9	141.3	-166.4	-65.9	168.4	174.3	0	0	117.2
566	N	29.3	Very low	32.6	Very low	165 Å²	165	146.3 Å²	146.3	88%	0.882	83%	0.825	S	S	*	*				-163	128	122.6	-108.1	-23.5	0	0	0	113.1
567	S	34.2	Very low	33	Very low	121 Å²	121	147.4 Å²	147.4	85%	0.846	83%	0.827	S	S	*	*			trans	-76.6	123.9	172.4	50.8	0	0	0	0	110.9
568	G	30.2	Very low	34	Very low	71 Å²	71	146 Å²	146	73%	0.732	82%	0.821	S	S	*	*			trans	-156.5	105.5	171	0	0	0	0	0	110.3	G570	G568-G570 PolarHBondContact O-N 2.75Å
569	T	39.9	Very low	35.4	Very low	159 Å²	159	141.7 Å²	141.7	98%	0.975	80%	0.802	S	S	*	*			trans	-63.5	111.6	173.1	43.7	0	0	0	0	110.3
570	G	30.5	Very low	37.9	Very low	64 Å²	64	139.8 Å²	139.8	66%	0.66	78%	0.783	S	S	*	*			trans	-151.2	103.1	167.8	0	0	0	0	0	108.6	G568 S572	G568-G570 PolarHBondContact O-N 2.75Å; G570-S572 VanDerWaalsContact C-N 3.28Å; G570-S572 PolarHBondContact O-N 3.42Å
571	Q	36.7	Very low	40.7	Very low	204 Å²	204	132.6 Å²	132.6	95%	0.953	75%	0.753	S	S	*	*			trans	-65.9	92.3	164.4	-78.5	176.9	-27	0	0	107.7
572	S	30.4	Very low	43.9	Very low	88 Å²	88	128.7 Å²	128.7	62%	0.615	72%	0.722	S	S	*	*			trans	-90.2	109.4	156.2	70.1	0	0	0	0	107.2	G570 T574	G570-S572 VanDerWaalsContact C-N 3.28Å; G570-S572 PolarHBondContact O-N 3.42Å; S572-T574 PolarHBondContact O-N 2.78Å
573	N	33.4	Very low	47.1	Very low	158 Å²	158	120.1 Å²	120.1	85%	0.845	68%	0.682	S	S	*	*			trans	-61.8	88.2	157.5	-82.1	-15.7	0	0	0	107.3	V575	N573-V575 VanDerWaalsContact C-N 3.25Å; N573-V575 PolarHBondContact O-N 3Å
574	T	33.2	Very low	50.4	Low	114 Å²	114	112.6 Å²	112.6	70%	0.699	64%	0.642	S	S	*	*			trans	-67.3	94	159.9	38.5	0	0	0	0	106.4	S572 Q576	S572-T574 PolarHBondContact O-N 2.78Å; T574-Q576 VanDerWaalsContact C-N 3.33Å; T574-Q576 PolarHBondContact O-N 2.86Å
575	V	36.7	Very low	53.5	Low	123 Å²	123	103.5 Å²	103.5	75%	0.745	60%	0.599	S	S	*	*			trans	-54.4	106.5	156.7	178.2	0	0	0	0	105	N573 N577	N573-V575 VanDerWaalsContact C-N 3.25Å; N573-V575 PolarHBondContact O-N 3Å; V575-N577 PolarHBondContact O-N 2.87Å
576	Q	35.9	Very low	56.6	Low	172 Å²	172	95.1 Å²	95.1	80%	0.804	56%	0.558	S	S	*	*			trans	-58.8	108.2	168.6	-75.5	175.2	-26.6	0	0	105.9	T574 I578	T574-Q576 VanDerWaalsContact C-N 3.33Å; T574-Q576 PolarHBondContact O-N 2.86Å; Q576-I578 PolarHBondContact O-N 2.84Å
577	N	41	Very low	59.6	Low	153 Å²	153	87.8 Å²	87.8	82%	0.818	52%	0.519	S	S	*	.			trans	-57.6	103.2	171.1	-98.6	-13.9	0	0	0	107	V575	V575-N577 PolarHBondContact O-N 2.87Å
578	I	55.7	Low	62.1	Low	141 Å²	141	82.7 Å²	82.7	72%	0.723	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-57.3	125	166.9	-60.2	170.6	0	0	0	105	Q576	Q576-I578 PolarHBondContact O-N 2.84Å
579	P	65.4	Low	64.7	Low	69 Å²	69	84.5 Å²	84.5	45%	0.448	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-59	147.1	-178.4	-8.5	19.2	0	0	0	109.2	Q603	P579-Q603 VanDerWaalsContact CB-OE1 3.23Å; P579-Q603 VanDerWaalsContact CG-OE1 3.28Å; P579-Q603 VanDerWaalsContact O-CD 3.26Å; P579-Q603 PolarHBondContact O-NE2 2.95Å; P579-Q603 PolarHBondContact O-OE1 3.17Å
580	E	82.8	Confident	67	Low	105 Å²	105	78.5 Å²	78.5	49%	0.491	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-69	135.5	177.5	-167.8	176.1	166.6	0	0	109.9	K654	E580-K654 WeakPolarHBondContact OE1-CD 3.26Å; E580-K654 WeakPolarHBondContact OE1-CE 3.44Å; E580-K654 IonicContact OE1-NZ 3.32Å; E580-K654 PolarHBondContact OE1-NZ 3.31Å; E580-K654 IonicContact OE2-NZ 2.72Å; E580-K654 PolarHBondContact OE2-NZ 2.87Å
581	P	91.3	Very high	70	Confident	38 Å²	38	75.5 Å²	75.5	25%	0.247	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-70.3	151.8	179.8	30.2	-35.7	0	0	0	111.4	Y583 Q603 K605	P581-Y583 HydrophobicContact CG-CE2 4.45Å; P581-Q603 VanDerWaalsContact CA-O 3.29Å; P581-Q603 WeakPolarHBondContact CA-O 3.31Å; P581-Q603 HydrophobicContact CB-CG 4.25Å; P581-K605 HydrophobicContact CB-CB 4.07Å; P581-K605 HydrophobicContact CG-CB 4.19Å
582	F	95.4	Very high	72.8	Confident	38 Å²	38	66 Å²	66	17%	0.167	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	132.1	165.7	-66.5	-63.5	0	0	0	110.3	L545 L548 T549 Q603 V604 K605 S657	L545-F582 HydrophobicContact CB-CD2 4.43Å; L545-F582 HydrophobicContact CB-CE2 4.35Å; L545-F582 HydrophobicContact CD2-CB 3.66Å; L545-F582 HydrophobicContact CD2-CD1 4.27Å; L545-F582 HydrophobicContact CD2-CD2 3.63Å; L545-F582 HydrophobicContact CD2-CE2 4.25Å; L545-F582 HydrophobicContact CD2-CG 3.6Å; L548-F582 HydrophobicContact CB-CE1 3.66Å; L548-F582 HydrophobicContact CB-CZ 3.83Å; L548-F582 HydrophobicContact CD1-CD1 4.3Å; L548-F582 HydrophobicContact CD1-CE1 4Å; L548-F582 HydrophobicContact CG-CE1 4.47Å; T549-F582 HydrophobicContact CG2-CE2 4.2Å; T549-F582 HydrophobicContact CG2-CZ 3.7Å; F582-Q603 PolarHBondContact N-O 3.45Å; F582-V604 HydrophobicContact CB-CG2 4.38Å; F582-V604 CarbonylContact O-C 3.54Å; F582-V604 WeakPolarHBondContact O-CA 3.43Å; F582-K605 PolarHBondContact O-N 3.06Å; F582-S657 WeakPolarHBondContact CB-OG 3.42Å; F582-S657 WeakPolarHBondContact CD1-OG 3.33Å
583	Y	96.4	Very high	76	Confident	11 Å²	11	61.9 Å²	61.9	4%	0.043	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	120.9	178.7	-69.2	-82.5	0	0	0	109.6	P581 K605 Y607 P650 K651 K654 S657 I658	P581-Y583 HydrophobicContact CG-CE2 4.45Å; Y583-K605 HydrophobicContact CD1-CB 4.16Å; Y583-K605 HydrophobicContact CD1-CG 4.29Å; Y583-K605 HydrophobicContact CE1-CB 4.19Å; Y583-K605 HydrophobicContact CE1-CG 4.12Å; Y583-Y607 AromaticContact CD1-CE2 3.9Å; Y583-Y607 HydrophobicContact CD1-CE2 3.9Å; Y583-Y607 HydrophobicContact CE1-CE2 4.42Å; Y583-P650 HydrophobicContact CD1-CB 3.63Å; Y583-P650 HydrophobicContact CD1-CG 4.01Å; Y583-P650 HydrophobicContact CD2-CG 4.31Å; Y583-P650 HydrophobicContact CE1-CB 4.16Å; Y583-P650 HydrophobicContact CG-CB 4Å; Y583-P650 HydrophobicContact CG-CG 3.84Å; Y583-K651 WeakPolarHBondContact OH-CE 3.22Å; Y583-K651 PolarHBondContact OH-NZ 2.66Å; Y583-K654 HydrophobicContact CD2-CB 4.47Å; Y583-K654 HydrophobicContact CE2-CB 4.19Å; Y583-K654 HydrophobicContact CE2-CG 4.14Å; Y583-S657 PolarHBondContact N-OG 2.94Å; Y583-S657 WeakPolarHBondContact O-CB 3.45Å; Y583-S657 PolarHBondContact O-N 2.86Å; Y583-I658 PolarHBondContact O-N 2.87Å
584	V	97.7	Very high	79.1	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123	179.1	178.4	0	0	0	0	109	A598 V604 K605 P606 Y607 I658	V584-A598 HydrophobicContact CB-CB 4.4Å; V584-A598 HydrophobicContact CG1-CB 4.07Å; V584-A598 HydrophobicContact CG2-CB 4.49Å; V584-V604 HydrophobicContact CB-CG1 4.11Å; V584-V604 HydrophobicContact CG2-CG1 3.63Å; V584-K605 PolarHBondContact N-O 2.87Å; V584-P606 CarbonylContact O-C 3.56Å; V584-Y607 PolarHBondContact O-N 3.21Å; V584-I658 WeakPolarHBondContact CA-O 2.83Å; V584-I658 HydrophobicContact CG1-CB 4.12Å; V584-I658 HydrophobicContact CG1-CG2 4.32Å; V584-I658 HydrophobicContact CG2-CB 4.12Å; V584-I658 HydrophobicContact CG2-CD1 4.35Å
585	L	97	Very high	82.2	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.3	177.4	-180	63.3	0	0	0	110	V587 W636 L647 W656 I658 I659 I660	L585-V587 HydrophobicContact CD2-CG2 3.78Å; L585-V587 HydrophobicContact CG-CG2 3.73Å; L585-W636 HydrophobicContact CD1-CB 4.27Å; L585-W636 HydrophobicContact CD1-CD2 4.28Å; L585-W636 HydrophobicContact CD1-CG 4.05Å; L585-L647 HydrophobicContact CD2-CD2 4.14Å; L585-W656 HydrophobicContact CB-CD2 3.8Å; L585-W656 HydrophobicContact CB-CE3 3.63Å; L585-W656 HydrophobicContact CB-CH2 3.85Å; L585-W656 HydrophobicContact CB-CZ2 4Å; L585-W656 HydrophobicContact CB-CZ3 3.66Å; L585-W656 HydrophobicContact CD1-CH2 4.05Å; L585-W656 HydrophobicContact CD1-CZ2 4.22Å; L585-W656 HydrophobicContact CD2-CD2 4.48Å; L585-W656 HydrophobicContact CD2-CH2 4.42Å; L585-W656 HydrophobicContact CD2-CZ2 3.86Å; L585-W656 HydrophobicContact CG-CH2 4.32Å; L585-W656 HydrophobicContact CG-CZ2 4.25Å; L585-I658 PolarHBondContact N-O 3.19Å; L585-I659 HydrophobicContact CB-CG1 4.47Å; L585-I659 CarbonylContact O-C 3.58Å; L585-I659 WeakPolarHBondContact O-CA 3.44Å; L585-I660 PolarHBondContact O-N 3.33Å
586	D	96.5	Very high	85	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.011	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.1	168.7	-175.2	8.8	0	0	0	110.5	S588 S592 P595 Y607 S609	D586-S588 VanDerWaalsContact OD1-CB 3.24Å; D586-S588 WeakPolarHBondContact OD1-CB 3.32Å; D586-S588 PolarHBondContact OD1-N 2.86Å; D586-S588 PolarHBondContact OD1-OG 3.09Å; D586-S592 VanDerWaalsContact OD2-CB 3.25Å; D586-S592 WeakPolarHBondContact OD2-CB 3.44Å; D586-S592 PolarHBondContact OD2-OG 3.42Å; D586-P595 HydrophobicContact CB-CG 3.65Å; D586-P595 VanDerWaalsContact OD2-CD 3.31Å; D586-P595 WeakPolarHBondContact OD2-CD 3.11Å; D586-Y607 PolarHBondContact N-O 3.45Å; D586-S609 VanDerWaalsContact O-CB 3.32Å; D586-S609 WeakPolarHBondContact O-CB 3.29Å; D586-S609 PolarHBondContact O-N 2.94Å; D586-S609 PolarHBondContact O-OG 3.39Å
587	V	92	Very high	88	Confident	11 Å²	11	35 Å²	35	7%	0.067	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	27.3	178.6	-158.2	0	0	0	0	110.4	L585 M646 L647 I659 I660 L661	L585-V587 HydrophobicContact CD2-CG2 3.78Å; L585-V587 HydrophobicContact CG-CG2 3.73Å; V587-M646 HydrophobicContact CG1-SD 4.09Å; V587-L647 HydrophobicContact CG2-CD2 4Å; V587-I659 HydrophobicContact CG2-CG2 4.16Å; V587-I660 WeakPolarHBondContact CB-O 3.35Å; V587-I660 WeakPolarHBondContact CG2-O 3.47Å; V587-I660 PolarHBondContact N-O 3.32Å; V587-L661 HydrophobicContact CB-CD2 4.04Å; V587-L661 HydrophobicContact CG2-CD2 4Å
588	S	86.7	Confident	90.6	Very high	14 Å²	14	27.8 Å²	27.8	10%	0.098	15%	0.153	C	C	.	.			trans	-63.3	141.4	172.4	-58.7	0	0	0	0	111.1	D586	D586-S588 VanDerWaalsContact OD1-CB 3.24Å; D586-S588 WeakPolarHBondContact OD1-CB 3.32Å; D586-S588 PolarHBondContact OD1-N 2.86Å; D586-S588 PolarHBondContact OD1-OG 3.09Å
589	E	83.6	Confident	92.5	Very high	108 Å²	108	21.4 Å²	21.4	51%	0.505	12%	0.123	S	C	.	.	S	Bend	trans	-80.5	136.2	169.7	-66.2	179.9	-175.6	0	0	109.1	Q671 K677	E589-Q671 VanDerWaalsContact CD-NE2 3.26Å; E589-Q671 PolarHBondContact OE2-NE2 2.87Å; E589-K677 IonicContact OE1-NZ 3.8Å
590	G	88.4	Confident	93.9	Very high	33 Å²	33	20.9 Å²	20.9	34%	0.34	12%	0.118	S	C	.	.	S	Bend	trans	79.9	-158.9	-178.5	0	0	0	0	0	115.1	E524 V610	E524-G590 WeakPolarHBondContact OE1-CA 3.44Å; G590-V610 WeakPolarHBondContact O-CG1 3.36Å
591	F	94.4	Very high	94.3	Very high	2 Å²	2	18 Å²	18	1%	0.009	11%	0.106	C	C	.	.			trans	-76	125.6	-177.4	-171	-97.3	0	0	0	112.6	F335 L520 E524 L527 L528 I593 H615 A618 L619 I622	F335-F591 HydrophobicContact CE1-CE1 4.18Å; F335-F591 AromaticContact CE1-CZ 3.92Å; F335-F591 HydrophobicContact CE1-CZ 3.92Å; F335-F591 HydrophobicContact CZ-CE1 4.42Å; F335-F591 HydrophobicContact CZ-CZ 4.21Å; L520-F591 HydrophobicContact CD1-CD1 4.1Å; L520-F591 HydrophobicContact CD1-CE1 4.4Å; L520-F591 HydrophobicContact CD1-CG 4.43Å; L520-F591 HydrophobicContact CD2-CB 3.65Å; L520-F591 HydrophobicContact CD2-CD1 4.13Å; L520-F591 HydrophobicContact CD2-CD2 3.87Å; L520-F591 HydrophobicContact CD2-CG 3.62Å; E524-F591 HydrophobicContact CB-CB 4.41Å; E524-F591 HydrophobicContact CG-CB 4.29Å; E524-F591 PolarHBondContact OE1-N 3.23Å; L527-F591 WeakPolarHBondContact CD2-O 3.06Å; L528-F591 HydrophobicContact CD1-CD1 4.3Å; L528-F591 HydrophobicContact CD1-CE1 4.02Å; L528-F591 HydrophobicContact CD2-CD1 4.35Å; L528-F591 HydrophobicContact CD2-CE1 4.06Å; L528-F591 HydrophobicContact CG-CE1 4.47Å; F591-I593 HydrophobicContact CE1-CG2 3.73Å; F591-I593 HydrophobicContact CZ-CG2 4.19Å; F591-H615 HydrophobicContact CD2-CB 3.77Å; F591-H615 AromaticContact CD2-CG 3.7Å; F591-H615 HydrophobicContact CE2-CB 4.33Å; F591-A618 HydrophobicContact CE2-CB 4.05Å; F591-A618 HydrophobicContact CZ-CB 4.45Å; F591-L619 HydrophobicContact CE2-CD2 3.96Å; F591-L619 HydrophobicContact CE2-CG 3.88Å; F591-L619 HydrophobicContact CZ-CD2 3.83Å; F591-L619 HydrophobicContact CZ-CG 4.25Å; F591-I622 HydrophobicContact CZ-CD1 4.16Å
592	S	95.9	Very high	94.1	Very high	4 Å²	4	18.6 Å²	18.6	3%	0.028	12%	0.119	C	C	.	.			trans	-140.5	135.8	177.8	170.9	0	0	0	0	112.3	D586 L594 L619	D586-S592 VanDerWaalsContact OD2-CB 3.25Å; D586-S592 WeakPolarHBondContact OD2-CB 3.44Å; D586-S592 PolarHBondContact OD2-OG 3.42Å; S592-L594 PolarHBondContact OG-N 2.98Å; S592-L619 WeakPolarHBondContact O-CD2 3.29Å
593	I	97.3	Very high	93.8	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	13%	0.13	C	C	.	.			trans	-99.7	0.8	174.1	64.7	164.6	0	0	0	113.2	I324 L528 H534 F591 P595 L596 I597 L619	I324-I593 HydrophobicContact CG2-CD1 3.44Å; I324-I593 VanDerWaalsContact CG2-CD1 3.44Å; L528-I593 HydrophobicContact CD2-CD1 4.05Å; L528-I593 HydrophobicContact CD2-CG1 4.15Å; L528-I593 HydrophobicContact CD2-CG2 3.93Å; H534-I593 WeakPolarHBondContact NE2-CG1 3.22Å; F591-I593 HydrophobicContact CE1-CG2 3.73Å; F591-I593 HydrophobicContact CZ-CG2 4.19Å; I593-P595 VanDerWaalsContact C-N 3.31Å; I593-L596 WeakPolarHBondContact O-CB 3.36Å; I593-L596 PolarHBondContact O-N 2.92Å; I593-I597 HydrophobicContact CD1-CD1 4.24Å; I593-I597 HydrophobicContact CG1-CD1 4.21Å; I593-I597 PolarHBondContact O-N 3.33Å; I593-I597 VanDerWaalsContact O-N 3.09Å; I593-L619 HydrophobicContact CG2-CD2 4.12Å
594	L	98.1	Very high	93.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-55.3	-37.3	177.4	-62.1	-174.4	0	0	0	113.8	Y533 F537 S592 L596 I597 A598 I660	Y533-L594 HydrophobicContact CD1-CD2 4.48Å; Y533-L594 HydrophobicContact CE1-CD1 4.05Å; Y533-L594 HydrophobicContact CE1-CD2 3.83Å; Y533-L594 HydrophobicContact CE1-CG 4.15Å; Y533-L594 WeakPolarHBondContact OH-CD1 3.46Å; F537-L594 HydrophobicContact CB-CD2 3.7Å; F537-L594 HydrophobicContact CD1-CD1 3.94Å; F537-L594 HydrophobicContact CD1-CD2 4.4Å; F537-L594 HydrophobicContact CD2-CD1 3.97Å; F537-L594 HydrophobicContact CD2-CD2 3.91Å; F537-L594 HydrophobicContact CE1-CD1 3.94Å; F537-L594 HydrophobicContact CE2-CD1 3.98Å; F537-L594 HydrophobicContact CG-CD1 3.96Å; F537-L594 HydrophobicContact CG-CD2 3.75Å; F537-L594 HydrophobicContact CZ-CD1 3.96Å; S592-L594 PolarHBondContact OG-N 2.98Å; L594-L596 VanDerWaalsContact C-N 3.27Å; L594-L596 PolarHBondContact O-N 2.8Å; L594-I597 HydrophobicContact CD2-CD1 4.13Å; L594-I597 PolarHBondContact O-N 3.18Å; L594-A598 WeakPolarHBondContact O-CB 3.12Å; L594-A598 PolarHBondContact O-N 3.08Å; L594-I660 HydrophobicContact CB-CD1 4.13Å; L594-I660 HydrophobicContact CD1-CD1 3.98Å; L594-I660 HydrophobicContact CD1-CG2 4.06Å
595	P	97.4	Very high	93.6	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.013	14%	0.139	C	C	.	.	H	α-helix	trans	-60.1	-38.2	175.9	-26.3	37.8	0	0	0	112.2	D586 I593 A598 G599 P606 L633	D586-P595 HydrophobicContact CB-CG 3.65Å; D586-P595 VanDerWaalsContact OD2-CD 3.31Å; D586-P595 WeakPolarHBondContact OD2-CD 3.11Å; I593-P595 VanDerWaalsContact C-N 3.31Å; P595-A598 WeakPolarHBondContact O-CB 3.32Å; P595-A598 PolarHBondContact O-N 2.95Å; P595-G599 PolarHBondContact O-N 3.14Å; P595-P606 HydrophobicContact CB-CB 3.97Å; P595-P606 WeakPolarHBondContact O-CB 3.42Å; P595-P606 WeakPolarHBondContact O-CG 3.48Å; P595-L633 HydrophobicContact CB-CD1 3.55Å
596	L	97.3	Very high	93.5	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-70.6	-45.2	178.6	-58.5	-176.5	0	0	0	110.8	I327 I593 L594 A598 G599 T600 L619 I622 S623 F628 L633	I327-L596 HydrophobicContact CD1-CB 3.82Å; I327-L596 HydrophobicContact CG1-CB 4.27Å; I593-L596 WeakPolarHBondContact O-CB 3.36Å; I593-L596 PolarHBondContact O-N 2.92Å; L594-L596 VanDerWaalsContact C-N 3.27Å; L594-L596 PolarHBondContact O-N 2.8Å; L596-A598 VanDerWaalsContact C-N 3.27Å; L596-A598 PolarHBondContact O-N 2.67Å; L596-G599 WeakPolarHBondContact O-CA 3.36Å; L596-G599 PolarHBondContact O-N 2.81Å; L596-T600 PolarHBondContact O-N 3.32Å; L596-L619 HydrophobicContact CD1-CD2 3.87Å; L596-L619 HydrophobicContact CG-CD2 4.44Å; L596-I622 HydrophobicContact CD1-CB 3.77Å; L596-I622 HydrophobicContact CD1-CG2 3.42Å; L596-I622 VanDerWaalsContact CD1-CG2 3.42Å; L596-S623 WeakPolarHBondContact CD2-OG 2.94Å; L596-F628 WeakPolarHBondContact O-CZ 3.48Å; L596-L633 HydrophobicContact CD2-CB 4.44Å; L596-L633 HydrophobicContact CD2-CD1 4.4Å; L596-L633 HydrophobicContact CD2-CD2 3.97Å
597	I	97.8	Very high	93.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-54.8	-47.8	174	-64.7	168.9	0	0	0	109.4	A325 I327 H534 K538 M541 I593 L594 G599 T600 L601	A325-I597 HydrophobicContact CB-CD1 3.65Å; A325-I597 HydrophobicContact CB-CG1 4.09Å; A325-I597 HydrophobicContact CB-CG2 4.37Å; I327-I597 HydrophobicContact CG1-CB 4.48Å; I327-I597 HydrophobicContact CG1-CG1 3.67Å; H534-I597 HydrophobicContact CB-CD1 4.01Å; K538-I597 HydrophobicContact CB-CG2 3.82Å; K538-I597 HydrophobicContact CG-CG2 4.03Å; M541-I597 HydrophobicContact CE-CB 4.13Å; M541-I597 HydrophobicContact CE-CG2 3.67Å; I593-I597 HydrophobicContact CD1-CD1 4.24Å; I593-I597 HydrophobicContact CG1-CD1 4.21Å; I593-I597 PolarHBondContact O-N 3.33Å; I593-I597 VanDerWaalsContact O-N 3.09Å; L594-I597 HydrophobicContact CD2-CD1 4.13Å; L594-I597 PolarHBondContact O-N 3.18Å; I597-G599 VanDerWaalsContact C-N 3.3Å; I597-G599 PolarHBondContact O-N 3.27Å; I597-T600 PolarHBondContact O-N 2.84Å; I597-T600 PolarHBondContact O-OG1 2.9Å; I597-L601 WeakPolarHBondContact O-CG 3.49Å
598	A	96.4	Very high	93.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-56.6	-43.2	176.9	0	0	0	0	0	112.3	M541 V584 L594 P595 L596 T600 L601 V604	M541-A598 HydrophobicContact CE-CB 4.06Å; M541-A598 HydrophobicContact SD-CB 3.61Å; V584-A598 HydrophobicContact CB-CB 4.4Å; V584-A598 HydrophobicContact CG1-CB 4.07Å; V584-A598 HydrophobicContact CG2-CB 4.49Å; L594-A598 WeakPolarHBondContact O-CB 3.12Å; L594-A598 PolarHBondContact O-N 3.08Å; P595-A598 WeakPolarHBondContact O-CB 3.32Å; P595-A598 PolarHBondContact O-N 2.95Å; L596-A598 VanDerWaalsContact C-N 3.27Å; L596-A598 PolarHBondContact O-N 2.67Å; A598-T600 PolarHBondContact O-N 2.72Å; A598-L601 WeakPolarHBondContact O-CB 3.46Å; A598-L601 PolarHBondContact O-N 3.32Å; A598-L601 VanDerWaalsContact O-N 3.1Å; A598-V604 HydrophobicContact CB-CG1 4.21Å; A598-V604 WeakPolarHBondContact O-CG2 3.33Å
599	G	94.7	Very high	93.9	Very high	8 Å²	8	22.9 Å²	22.9	8%	0.082	14%	0.138	C	C	.	.	H	α-helix	trans	-56.8	-32	176.1	0	0	0	0	0	114.1	P595 L596 I597 L601 F628	P595-G599 PolarHBondContact O-N 3.14Å; L596-G599 WeakPolarHBondContact O-CA 3.36Å; L596-G599 PolarHBondContact O-N 2.81Å; I597-G599 VanDerWaalsContact C-N 3.3Å; I597-G599 PolarHBondContact O-N 3.27Å; G599-L601 VanDerWaalsContact C-N 3.27Å; G599-L601 PolarHBondContact O-N 3.42Å; G599-F628 VanDerWaalsContact C-CE1 3.42Å
600	T	94.3	Very high	94.2	Very high	58 Å²	58	17.9 Å²	17.9	36%	0.356	11%	0.114	S	C	.	.	H	α-helix	trans	-75	-14.7	179.3	67.8	0	0	0	0	114	I327 L596 I597 A598 G602 F628	I327-T600 HydrophobicContact CD1-CG2 3.4Å; I327-T600 HydrophobicContact CG1-CG2 4.41Å; L596-T600 PolarHBondContact O-N 3.32Å; I597-T600 PolarHBondContact O-N 2.84Å; I597-T600 PolarHBondContact O-OG1 2.9Å; A598-T600 PolarHBondContact O-N 2.72Å; T600-G602 VanDerWaalsContact C-N 3.31Å; T600-G602 PolarHBondContact O-N 3.44Å; T600-F628 HydrophobicContact CG2-CE2 4.25Å; T600-F628 HydrophobicContact CG2-CZ 3.72Å
601	L	92.6	Very high	94.1	Very high	44 Å²	44	22.4 Å²	22.4	23%	0.23	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	3.1	-170.3	-59.1	-179.8	0	0	0	114.1	K538 M541 S542 L545 I597 A598 G599	K538-L601 HydrophobicContact CG-CD2 3.96Å; M541-L601 HydrophobicContact CB-CD1 3.54Å; M541-L601 HydrophobicContact CE-CD1 4.19Å; S542-L601 WeakPolarHBondContact OG-CD2 3.15Å; L545-L601 HydrophobicContact CD1-CB 3.93Å; L545-L601 HydrophobicContact CD1-CD1 4.45Å; I597-L601 WeakPolarHBondContact O-CG 3.49Å; A598-L601 WeakPolarHBondContact O-CB 3.46Å; A598-L601 PolarHBondContact O-N 3.32Å; A598-L601 VanDerWaalsContact O-N 3.1Å; G599-L601 VanDerWaalsContact C-N 3.27Å; G599-L601 PolarHBondContact O-N 3.42Å
602	G	85.6	Confident	93.7	Very high	50 Å²	50	27 Å²	27	52%	0.515	15%	0.147	S	C	.	.	S	Bend	trans	141.6	-143.8	175.1	0	0	0	0	0	112.4	T600 V604	T600-G602 VanDerWaalsContact C-N 3.31Å; T600-G602 PolarHBondContact O-N 3.44Å; G602-V604 VanDerWaalsContact C-N 3.28Å; G602-V604 PolarHBondContact O-N 3.5Å
603	Q	89.4	Confident	93.3	Very high	85 Å²	85	31.2 Å²	31.2	40%	0.397	17%	0.169	S	C	.	.	S	Bend	trans	-81.6	76.5	179.8	-163	177.9	4.5	0	0	110.8	P579 P581 F582	P579-Q603 VanDerWaalsContact CB-OE1 3.23Å; P579-Q603 VanDerWaalsContact CG-OE1 3.28Å; P579-Q603 VanDerWaalsContact O-CD 3.26Å; P579-Q603 PolarHBondContact O-NE2 2.95Å; P579-Q603 PolarHBondContact O-OE1 3.17Å; P581-Q603 VanDerWaalsContact CA-O 3.29Å; P581-Q603 WeakPolarHBondContact CA-O 3.31Å; P581-Q603 HydrophobicContact CB-CG 4.25Å; F582-Q603 PolarHBondContact N-O 3.45Å
604	V	93.8	Very high	93	Very high	13 Å²	13	34 Å²	34	8%	0.079	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.8	-177.4	178	0	0	0	0	109.9	L545 F582 V584 A598 G602 P606	L545-V604 HydrophobicContact CD1-CG2 3.71Å; L545-V604 HydrophobicContact CD2-CG2 4.5Å; F582-V604 HydrophobicContact CB-CG2 4.38Å; F582-V604 CarbonylContact O-C 3.54Å; F582-V604 WeakPolarHBondContact O-CA 3.43Å; V584-V604 HydrophobicContact CB-CG1 4.11Å; V584-V604 HydrophobicContact CG2-CG1 3.63Å; A598-V604 HydrophobicContact CB-CG1 4.21Å; A598-V604 WeakPolarHBondContact O-CG2 3.33Å; G602-V604 VanDerWaalsContact C-N 3.28Å; G602-V604 PolarHBondContact O-N 3.5Å; V604-P606 HydrophobicContact CG1-CB 4.41Å; V604-P606 WeakPolarHBondContact O-CD 3.27Å
605	K	95.6	Very high	92.8	Very high	42 Å²	42	34.1 Å²	34.1	18%	0.183	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	95.2	166.7	-176.3	69.5	177.1	173.9	0	108	P581 F582 Y583 V584 Y607 E631 E634	P581-K605 HydrophobicContact CB-CB 4.07Å; P581-K605 HydrophobicContact CG-CB 4.19Å; F582-K605 PolarHBondContact O-N 3.06Å; Y583-K605 HydrophobicContact CD1-CB 4.16Å; Y583-K605 HydrophobicContact CD1-CG 4.29Å; Y583-K605 HydrophobicContact CE1-CB 4.19Å; Y583-K605 HydrophobicContact CE1-CG 4.12Å; V584-K605 PolarHBondContact N-O 2.87Å; K605-Y607 HydrophobicContact CB-CE2 4.45Å; K605-Y607 HydrophobicContact CG-CD2 4.46Å; K605-Y607 HydrophobicContact CG-CE2 3.62Å; K605-Y607 WeakPolarHBondContact O-CD2 3.43Å; K605-E631 PolarHBondContact NZ-O 3.3Å; K605-E634 WeakPolarHBondContact CE-OE1 3.49Å; K605-E634 VanDerWaalsContact NZ-CG 3.28Å; K605-E634 IonicContact NZ-OE1 2.79Å; K605-E634 PolarHBondContact NZ-OE1 2.65Å
606	P	96.8	Very high	92.6	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	143.6	-176.6	33.4	-34.7	0	0	0	112.6	V584 P595 V604 T632 L633 E634	V584-P606 CarbonylContact O-C 3.56Å; P595-P606 HydrophobicContact CB-CB 3.97Å; P595-P606 WeakPolarHBondContact O-CB 3.42Å; P595-P606 WeakPolarHBondContact O-CG 3.48Å; V604-P606 HydrophobicContact CG1-CB 4.41Å; V604-P606 WeakPolarHBondContact O-CD 3.27Å; P606-T632 WeakPolarHBondContact CD-O 3.11Å; P606-L633 HydrophobicContact CB-CD1 4.41Å; P606-L633 HydrophobicContact CG-CD1 4.28Å; P606-E634 PolarHBondContact O-N 3.18Å; P606-E634 VanDerWaalsContact O-N 3.09Å
607	Y	96	Very high	92.4	Very high	19 Å²	19	39 Å²	39	8%	0.075	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.9	177.2	-71.4	-103.5	0	0	0	110.1	Y583 V584 D586 K605 E634 W636 W656	Y583-Y607 AromaticContact CD1-CE2 3.9Å; Y583-Y607 HydrophobicContact CD1-CE2 3.9Å; Y583-Y607 HydrophobicContact CE1-CE2 4.42Å; V584-Y607 PolarHBondContact O-N 3.21Å; D586-Y607 PolarHBondContact N-O 3.45Å; K605-Y607 HydrophobicContact CB-CE2 4.45Å; K605-Y607 HydrophobicContact CG-CD2 4.46Å; K605-Y607 HydrophobicContact CG-CE2 3.62Å; K605-Y607 WeakPolarHBondContact O-CD2 3.43Å; Y607-E634 CarbonylContact C-O 3.57Å; Y607-E634 WeakPolarHBondContact CA-O 3.45Å; Y607-E634 HydrophobicContact CD1-CB 3.39Å; Y607-E634 HydrophobicContact CD1-CG 4.17Å; Y607-E634 HydrophobicContact CE1-CB 3.45Å; Y607-E634 VanDerWaalsContact CE1-CB 3.45Å; Y607-E634 HydrophobicContact CE1-CG 3.74Å; Y607-E634 HydrophobicContact CG-CB 4.01Å; Y607-W636 AromaticContact CD1-CE3 3.56Å; Y607-W636 HydrophobicContact CD1-CE3 3.56Å; Y607-W636 HydrophobicContact CD1-CZ3 4.23Å; Y607-W636 AromaticContact CE1-CE3 3.85Å; Y607-W636 HydrophobicContact CE1-CE3 3.85Å; Y607-W636 HydrophobicContact CE1-CZ3 4.13Å; Y607-W636 HydrophobicContact CG-CE3 4.41Å; Y607-W656 HydrophobicContact CD1-CH2 4.23Å; Y607-W656 AromaticContact CD2-CH2 3.69Å; Y607-W656 HydrophobicContact CD2-CH2 3.69Å; Y607-W656 AromaticContact CD2-CZ3 3.49Å; Y607-W656 HydrophobicContact CD2-CZ3 3.49Å; Y607-W656 VanDerWaalsContact CD2-CZ3 3.49Å; Y607-W656 HydrophobicContact CE2-CH2 4.05Å; Y607-W656 AromaticContact CE2-CZ3 3.92Å; Y607-W656 HydrophobicContact CE2-CZ3 3.92Å; Y607-W656 AromaticContact CG-CH2 3.78Å; Y607-W656 HydrophobicContact CG-CH2 3.78Å; Y607-W656 AromaticContact CG-CZ3 3.99Å; Y607-W656 HydrophobicContact CG-CZ3 3.99Å
608	S	94.8	Very high	92.3	Very high	1 Å²	1	39 Å²	39	1%	0.007	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	146.7	176.2	-179.1	0	0	0	0	111.3	V610 E634 W636	S608-V610 PolarHBondContact OG-N 2.97Å; S608-E634 PolarHBondContact N-O 2.79Å; S608-W636 PolarHBondContact O-N 3.26Å
609	S	91.4	Very high	92.2	Very high	7 Å²	7	39 Å²	39	5%	0.049	21%	0.205	C	C	.	.			trans	-102.9	19	176.9	-58.1	0	0	0	0	113.7	D586 E611 L637	D586-S609 VanDerWaalsContact O-CB 3.32Å; D586-S609 WeakPolarHBondContact O-CB 3.29Å; D586-S609 PolarHBondContact O-N 2.94Å; D586-S609 PolarHBondContact O-OG 3.39Å; S609-E611 PolarHBondContact O-N 3.24Å; S609-L637 WeakPolarHBondContact O-CD1 3.24Å
610	V	89.7	Confident	92.2	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.018	22%	0.22	C	C	.	.			trans	-63.6	135.2	177.9	-66.9	0	0	0	0	112.7	G590 S608 H615 R616 L619 F635	G590-V610 WeakPolarHBondContact O-CG1 3.36Å; S608-V610 PolarHBondContact OG-N 2.97Å; V610-H615 HydrophobicContact CB-CB 4.02Å; V610-H615 HydrophobicContact CG1-CB 4.13Å; V610-H615 HydrophobicContact CG2-CB 4.4Å; V610-R616 HydrophobicContact CG2-CG 3.73Å; V610-L619 HydrophobicContact CG1-CD1 3.86Å; V610-L619 HydrophobicContact CG2-CD1 3.89Å; V610-F635 HydrophobicContact CG2-CD1 3.53Å; V610-F635 HydrophobicContact CG2-CE1 3.58Å
611	E	85.9	Confident	92.3	Very high	128 Å²	128	41 Å²	41	60%	0.598	21%	0.211	S	C	*	.			trans	-93.9	-46.1	-179.4	-70	175.6	-169.6	0	0	113	S609 R616 L637	S609-E611 PolarHBondContact O-N 3.24Å; E611-R616 PolarHBondContact O-NH1 2.94Å; E611-L637 HydrophobicContact CG-CD1 3.31Å
612	K	87.2	Confident	92.4	Very high	99 Å²	99	38.9 Å²	38.9	43%	0.43	20%	0.2	S	C	.	.	S	Bend	trans	-66.9	132.8	-174.3	-61	-175.3	-172.2	171.8	0	111.2	E521 Q614 H615 R616	E521-K612 IonicContact OE1-NZ 2.71Å; K612-Q614 VanDerWaalsContact C-N 3.27Å; K612-Q614 PolarHBondContact O-N 3.28Å; K612-H615 HydrophobicContact CB-CB 4.31Å; K612-H615 WeakPolarHBondContact O-CB 3.49Å; K612-H615 PolarHBondContact O-N 2.87Å; K612-H615 VanDerWaalsContact O-N 3.13Å; K612-R616 PolarHBondContact O-N 2.96Å
613	D	88.4	Confident	92.9	Very high	93 Å²	93	36.9 Å²	36.9	50%	0.497	18%	0.179	S	C	.	.	H	α-helix	trans	-58.4	-38.7	176.9	-93	-45.5	0	0	0	113.1	H615 R616 I617	D613-H615 VanDerWaalsContact C-N 3.28Å; D613-H615 PolarHBondContact O-N 3.45Å; D613-R616 WeakPolarHBondContact O-CB 3.5Å; D613-R616 PolarHBondContact O-N 3.25Å; D613-R616 VanDerWaalsContact O-N 3.16Å; D613-R616 IonicContact OD1-CZ 3.12Å; D613-R616 IonicContact OD1-NE 3.89Å; D613-R616 PolarHBondContact OD1-NE 2.93Å; D613-R616 IonicContact OD1-NH2 2.67Å; D613-R616 PolarHBondContact OD1-NH2 2.57Å; D613-R616 IonicContact OD2-NH2 2.76Å; D613-R616 PolarHBondContact OD2-NH2 3.48Å; D613-I617 WeakPolarHBondContact O-CG1 3.46Å; D613-I617 PolarHBondContact O-N 2.96Å
614	Q	90.4	Very high	93.1	Very high	59 Å²	59	38.1 Å²	38.1	28%	0.276	18%	0.184	S	C	.	.	H	α-helix	trans	-60.9	-38.9	177.9	-167.3	176.1	29.2	0	0	111.9	T517 C518 V519 K612 A618	T517-Q614 PolarHBondContact O-NE2 3.01Å; C518-Q614 HydrophobicContact CB-CG 4.35Å; V519-Q614 VanDerWaalsContact N-CD 3.3Å; K612-Q614 VanDerWaalsContact C-N 3.27Å; K612-Q614 PolarHBondContact O-N 3.28Å; Q614-A618 WeakPolarHBondContact O-CB 3.07Å; Q614-A618 PolarHBondContact O-N 2.92Å
615	H	93.5	Very high	93.2	Very high	3 Å²	3	39 Å²	39	1%	0.014	19%	0.193	C	C	.	.	H	α-helix	trans	-66.3	-42	175.8	-66	-170.4	0	0	0	111.1	E524 F591 V610 K612 D613 A618 L619	E524-H615 IonicContact OE1-CE1 3.55Å; E524-H615 PolarHBondContact OE1-CE1 2.84Å; E524-H615 IonicContact OE2-CE1 3.37Å; F591-H615 HydrophobicContact CD2-CB 3.77Å; F591-H615 AromaticContact CD2-CG 3.7Å; F591-H615 HydrophobicContact CE2-CB 4.33Å; V610-H615 HydrophobicContact CB-CB 4.02Å; V610-H615 HydrophobicContact CG1-CB 4.13Å; V610-H615 HydrophobicContact CG2-CB 4.4Å; K612-H615 HydrophobicContact CB-CB 4.31Å; K612-H615 WeakPolarHBondContact O-CB 3.49Å; K612-H615 PolarHBondContact O-N 2.87Å; K612-H615 VanDerWaalsContact O-N 3.13Å; D613-H615 VanDerWaalsContact C-N 3.28Å; D613-H615 PolarHBondContact O-N 3.45Å; H615-A618 PolarHBondContact O-N 2.97Å; H615-L619 WeakPolarHBondContact O-CG 3.48Å; H615-L619 PolarHBondContact O-N 3.37Å
616	R	92.8	Very high	93.1	Very high	35 Å²	35	38.3 Å²	38.3	13%	0.132	19%	0.192	C	C	.	.	H	α-helix	trans	-59.5	-49.8	176.6	-65.8	-168.9	-81	-115.3	4.2	111.7	V610 E611 K612 D613 A618 L619 D620 F635	V610-R616 HydrophobicContact CG2-CG 3.73Å; E611-R616 PolarHBondContact O-NH1 2.94Å; K612-R616 PolarHBondContact O-N 2.96Å; D613-R616 WeakPolarHBondContact O-CB 3.5Å; D613-R616 PolarHBondContact O-N 3.25Å; D613-R616 VanDerWaalsContact O-N 3.16Å; D613-R616 IonicContact OD1-CZ 3.12Å; D613-R616 IonicContact OD1-NE 3.89Å; D613-R616 PolarHBondContact OD1-NE 2.93Å; D613-R616 IonicContact OD1-NH2 2.67Å; D613-R616 PolarHBondContact OD1-NH2 2.57Å; D613-R616 IonicContact OD2-NH2 2.76Å; D613-R616 PolarHBondContact OD2-NH2 3.48Å; R616-A618 VanDerWaalsContact C-N 3.32Å; R616-A618 PolarHBondContact O-N 2.93Å; R616-L619 PolarHBondContact O-N 2.94Å; R616-D620 PolarHBondContact O-N 2.84Å; R616-F635 HydrophobicContact CB-CD1 4.48Å; R616-F635 HydrophobicContact CB-CE1 4.02Å; R616-F635 HydrophobicContact CB-CE2 4.33Å; R616-F635 HydrophobicContact CB-CZ 3.93Å; R616-F635 HydrophobicContact CG-CD1 3.82Å; R616-F635 HydrophobicContact CG-CE1 3.81Å; R616-F635 HydrophobicContact CG-CG 4.19Å; R616-F635 HydrophobicContact CG-CZ 4.17Å
617	I	93.4	Very high	92.9	Very high	71 Å²	71	46.4 Å²	46.4	36%	0.364	23%	0.229	S	C	.	.	H	α-helix	trans	-59.7	-44.5	179	-64	165	0	0	0	110.4	Q516 D613 D620 L621	Q516-I617 HydrophobicContact CG-CG2 3.89Å; D613-I617 WeakPolarHBondContact O-CG1 3.46Å; D613-I617 PolarHBondContact O-N 2.96Å; I617-D620 PolarHBondContact O-N 3.28Å; I617-L621 HydrophobicContact CG2-CD1 4.14Å; I617-L621 WeakPolarHBondContact O-CG 3.47Å; I617-L621 PolarHBondContact O-N 3.4Å
618	A	94.9	Very high	92.7	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-46	176.9	0	0	0	0	0	112	V333 C518 F591 Q614 H615 R616 D620 L621 I622	V333-A618 HydrophobicContact CG1-CB 4.06Å; C518-A618 HydrophobicContact CB-CB 4.1Å; F591-A618 HydrophobicContact CE2-CB 4.05Å; F591-A618 HydrophobicContact CZ-CB 4.45Å; Q614-A618 WeakPolarHBondContact O-CB 3.07Å; Q614-A618 PolarHBondContact O-N 2.92Å; H615-A618 PolarHBondContact O-N 2.97Å; R616-A618 VanDerWaalsContact C-N 3.32Å; R616-A618 PolarHBondContact O-N 2.93Å; A618-D620 PolarHBondContact O-N 3.11Å; A618-L621 PolarHBondContact O-N 3.02Å; A618-I622 WeakPolarHBondContact O-CD1 3.35Å; A618-I622 WeakPolarHBondContact O-CG1 3.37Å; A618-I622 PolarHBondContact O-N 3.04Å
619	L	95.9	Very high	92.4	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-65.6	-35.2	178	-70.5	176.4	0	0	0	113.1	F591 S592 I593 L596 V610 H615 R616 I622 S623 L633 F635	F591-L619 HydrophobicContact CE2-CD2 3.96Å; F591-L619 HydrophobicContact CE2-CG 3.88Å; F591-L619 HydrophobicContact CZ-CD2 3.83Å; F591-L619 HydrophobicContact CZ-CG 4.25Å; S592-L619 WeakPolarHBondContact O-CD2 3.29Å; I593-L619 HydrophobicContact CG2-CD2 4.12Å; L596-L619 HydrophobicContact CD1-CD2 3.87Å; L596-L619 HydrophobicContact CG-CD2 4.44Å; V610-L619 HydrophobicContact CG1-CD1 3.86Å; V610-L619 HydrophobicContact CG2-CD1 3.89Å; H615-L619 WeakPolarHBondContact O-CG 3.48Å; H615-L619 PolarHBondContact O-N 3.37Å; R616-L619 PolarHBondContact O-N 2.94Å; L619-I622 HydrophobicContact CD2-CD1 4.42Å; L619-S623 WeakPolarHBondContact O-CB 3.4Å; L619-S623 PolarHBondContact O-N 2.64Å; L619-S623 PolarHBondContact O-OG 3.45Å; L619-L633 HydrophobicContact CB-CD2 3.83Å; L619-L633 HydrophobicContact CD1-CD2 4.41Å; L619-F635 HydrophobicContact CB-CE1 4.35Å; L619-F635 HydrophobicContact CB-CZ 4.32Å; L619-F635 HydrophobicContact CD1-CE1 4.12Å
620	D	94.7	Very high	91.9	Very high	72 Å²	72	59.5 Å²	59.5	39%	0.385	30%	0.295	S	S	.	.	H	α-helix	trans	-64.7	-44.7	173.5	-79.9	-25.2	0	0	0	111.2	R616 I617 A618 I622 S623 E624 F635	R616-D620 PolarHBondContact O-N 2.84Å; I617-D620 PolarHBondContact O-N 3.28Å; A618-D620 PolarHBondContact O-N 3.11Å; D620-I622 PolarHBondContact O-N 2.9Å; D620-S623 WeakPolarHBondContact O-CA 3.47Å; D620-S623 VanDerWaalsContact O-CB 3.29Å; D620-S623 WeakPolarHBondContact O-CB 3.29Å; D620-S623 PolarHBondContact O-N 3.34Å; D620-S623 VanDerWaalsContact O-N 3.13Å; D620-E624 WeakPolarHBondContact O-CG 3.23Å; D620-E624 PolarHBondContact O-N 2.86Å; D620-F635 WeakPolarHBondContact OD1-CE2 3.38Å
621	L	95	Very high	91.5	Very high	34 Å²	34	67 Å²	67	18%	0.178	33%	0.33	C	S	.	.	H	α-helix	trans	-64.4	-40.3	176.8	-69.7	172.8	0	0	0	112.3	V333 Q516 I617 A618 S623 E624 A625	V333-L621 HydrophobicContact CG2-CB 3.64Å; V333-L621 HydrophobicContact CG2-CD1 3.76Å; V333-L621 HydrophobicContact CG2-CG 4.37Å; Q516-L621 HydrophobicContact CB-CD1 3.6Å; Q516-L621 HydrophobicContact CG-CD1 4.03Å; I617-L621 HydrophobicContact CG2-CD1 4.14Å; I617-L621 WeakPolarHBondContact O-CG 3.47Å; I617-L621 PolarHBondContact O-N 3.4Å; A618-L621 PolarHBondContact O-N 3.02Å; L621-S623 VanDerWaalsContact C-N 3.3Å; L621-E624 PolarHBondContact O-N 2.82Å; L621-A625 WeakPolarHBondContact O-CB 3.27Å; L621-A625 PolarHBondContact O-N 2.87Å
622	I	96.1	Very high	91.6	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.6	-39	173.3	-61.2	159.3	0	0	0	109.7	I327 L329 P330 F335 F591 L596 A618 L619 D620 E624 A625 N626	I327-I622 HydrophobicContact CG2-CG2 3.68Å; L329-I622 HydrophobicContact CD2-CD1 4.11Å; L329-I622 HydrophobicContact CD2-CG1 4.36Å; L329-I622 HydrophobicContact CD2-CG2 4.22Å; P330-I622 HydrophobicContact CG-CG1 4.5Å; F335-I622 HydrophobicContact CZ-CD1 4.15Å; F591-I622 HydrophobicContact CZ-CD1 4.16Å; L596-I622 HydrophobicContact CD1-CB 3.77Å; L596-I622 HydrophobicContact CD1-CG2 3.42Å; L596-I622 VanDerWaalsContact CD1-CG2 3.42Å; A618-I622 WeakPolarHBondContact O-CD1 3.35Å; A618-I622 WeakPolarHBondContact O-CG1 3.37Å; A618-I622 PolarHBondContact O-N 3.04Å; L619-I622 HydrophobicContact CD2-CD1 4.42Å; D620-I622 PolarHBondContact O-N 2.9Å; I622-E624 PolarHBondContact O-N 2.74Å; I622-A625 PolarHBondContact O-N 2.7Å; I622-N626 PolarHBondContact O-N 2.91Å; I622-N626 VanDerWaalsContact O-N 3.08Å; I622-N626 PolarHBondContact O-ND2 3.33Å
623	S	95.6	Very high	91.9	Very high	9 Å²	9	57.9 Å²	57.9	6%	0.063	29%	0.291	C	S	.	.	H	α-helix	trans	-59.6	-47.3	176	-60.8	0	0	0	0	111.7	L596 L619 D620 L621 A625 N626 H627 F628	L596-S623 WeakPolarHBondContact CD2-OG 2.94Å; L619-S623 WeakPolarHBondContact O-CB 3.4Å; L619-S623 PolarHBondContact O-N 2.64Å; L619-S623 PolarHBondContact O-OG 3.45Å; D620-S623 WeakPolarHBondContact O-CA 3.47Å; D620-S623 VanDerWaalsContact O-CB 3.29Å; D620-S623 WeakPolarHBondContact O-CB 3.29Å; D620-S623 PolarHBondContact O-N 3.34Å; D620-S623 VanDerWaalsContact O-N 3.13Å; L621-S623 VanDerWaalsContact C-N 3.3Å; S623-A625 PolarHBondContact O-N 2.8Å; S623-N626 CarbonylContact O-C 3.53Å; S623-N626 PolarHBondContact O-N 3.3Å; S623-H627 PolarHBondContact O-N 2.87Å; S623-F628 WeakPolarHBondContact O-CB 3.31Å; S623-F628 WeakPolarHBondContact O-CD2 3.34Å; S623-F628 PolarHBondContact O-N 2.85Å; S623-F628 VanDerWaalsContact O-N 3.08Å
624	E	94.3	Very high	92.1	Very high	110 Å²	110	55.7 Å²	55.7	51%	0.514	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-43.2	177.7	-70.2	-173.6	165.3	0	0	111.9	D620 L621 I622 N626 H627	D620-E624 WeakPolarHBondContact O-CG 3.23Å; D620-E624 PolarHBondContact O-N 2.86Å; L621-E624 PolarHBondContact O-N 2.82Å; I622-E624 PolarHBondContact O-N 2.74Å; E624-N626 PolarHBondContact O-N 3.2Å; E624-H627 PolarHBondContact O-N 3.23Å; E624-H627 VanDerWaalsContact O-N 3.1Å
625	A	93.9	Very high	92.1	Very high	31 Å²	31	53.5 Å²	53.5	26%	0.256	27%	0.267	S	S	.	.	H	α-helix	trans	-62.5	-28.3	177.5	0	0	0	0	0	113.4	P330 L621 I622 S623	P330-A625 HydrophobicContact CB-CB 3.62Å; P330-A625 HydrophobicContact CG-CB 3.69Å; L621-A625 WeakPolarHBondContact O-CB 3.27Å; L621-A625 PolarHBondContact O-N 2.87Å; I622-A625 PolarHBondContact O-N 2.7Å; S623-A625 PolarHBondContact O-N 2.8Å
626	N	94.5	Very high	91.6	Very high	29 Å²	29	54.1 Å²	54.1	16%	0.155	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	16.5	178	-71.1	-84.6	0	0	0	113.4	I327 H328 I622 S623 E624 F628	I327-N626 WeakPolarHBondContact CA-OD1 3.49Å; I327-N626 HydrophobicContact CD1-CB 4.45Å; H328-N626 PolarHBondContact N-OD1 3.31Å; H328-N626 PolarHBondContact O-ND2 3.09Å; I622-N626 PolarHBondContact O-N 2.91Å; I622-N626 VanDerWaalsContact O-N 3.08Å; I622-N626 PolarHBondContact O-ND2 3.33Å; S623-N626 CarbonylContact O-C 3.53Å; S623-N626 PolarHBondContact O-N 3.3Å; E624-N626 PolarHBondContact O-N 3.2Å; N626-F628 VanDerWaalsContact C-N 3.27Å; N626-F628 HydrophobicContact CB-CD2 3.77Å; N626-F628 HydrophobicContact CB-CE2 3.68Å; N626-F628 PolarHBondContact O-N 3.07Å
627	H	93.3	Very high	90.7	Very high	171 Å²	171	54.4 Å²	54.4	79%	0.792	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	26	174	-46.9	-46.2	0	0	0	114.9	S623 E624	S623-H627 PolarHBondContact O-N 2.87Å; E624-H627 PolarHBondContact O-N 3.23Å; E624-H627 VanDerWaalsContact O-N 3.1Å
628	F	91.5	Very high	89.1	Confident	32 Å²	32	58.8 Å²	58.8	14%	0.14	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-71.4	134	171.2	-71.5	-74.3	0	0	0	110.6	I327 L596 G599 T600 S623 N626 T632	I327-F628 HydrophobicContact CD1-CE2 4.27Å; L596-F628 WeakPolarHBondContact O-CZ 3.48Å; G599-F628 VanDerWaalsContact C-CE1 3.42Å; T600-F628 HydrophobicContact CG2-CE2 4.25Å; T600-F628 HydrophobicContact CG2-CZ 3.72Å; S623-F628 WeakPolarHBondContact O-CB 3.31Å; S623-F628 WeakPolarHBondContact O-CD2 3.34Å; S623-F628 PolarHBondContact O-N 2.85Å; S623-F628 VanDerWaalsContact O-N 3.08Å; N626-F628 VanDerWaalsContact C-N 3.27Å; N626-F628 HydrophobicContact CB-CD2 3.77Å; N626-F628 HydrophobicContact CB-CE2 3.68Å; N626-F628 PolarHBondContact O-N 3.07Å; F628-T632 HydrophobicContact CD1-CG2 3.72Å; F628-T632 HydrophobicContact CE1-CG2 4.38Å; F628-T632 HydrophobicContact CG-CG2 4.49Å
629	P	87.3	Confident	87.3	Confident	94 Å²	94	65.2 Å²	65.2	61%	0.61	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-55	149.8	166.3	-23.8	32	0	0	0	111.2	E631 T632	P629-E631 PolarHBondContact O-N 3.41Å; P629-T632 VanDerWaalsContact CD-OG1 3.29Å; P629-T632 WeakPolarHBondContact CD-OG1 3.38Å; P629-T632 VanDerWaalsContact O-CB 3.31Å; P629-T632 WeakPolarHBondContact O-CB 3.25Å; P629-T632 PolarHBondContact O-N 3.37Å; P629-T632 VanDerWaalsContact O-N 3.07Å; P629-T632 PolarHBondContact O-OG1 3.03Å
630	K	82.4	Confident	85.5	Confident	176 Å²	176	66.5 Å²	66.5	77%	0.765	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	143.2	171.8	-68.7	-166.7	173.3	-164.6	0	110.3	T632	K630-T632 PolarHBondContact O-N 3.13Å
631	E	81	Confident	83.3	Confident	160 Å²	160	73 Å²	73	75%	0.748	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	16.7	-176.7	-49.7	171	-176.2	0	0	113.8	K605 P629	K605-E631 PolarHBondContact NZ-O 3.3Å; P629-E631 PolarHBondContact O-N 3.41Å
632	T	88.2	Confident	81.3	Confident	26 Å²	26	75.9 Å²	75.9	16%	0.16	37%	0.366	C	S	.	.	S	Bend	trans	-67.6	-51	172.4	-59	0	0	0	0	110.7	P606 F628 P629 K630	P606-T632 WeakPolarHBondContact CD-O 3.11Å; F628-T632 HydrophobicContact CD1-CG2 3.72Å; F628-T632 HydrophobicContact CE1-CG2 4.38Å; F628-T632 HydrophobicContact CG-CG2 4.49Å; P629-T632 VanDerWaalsContact CD-OG1 3.29Å; P629-T632 WeakPolarHBondContact CD-OG1 3.38Å; P629-T632 VanDerWaalsContact O-CB 3.31Å; P629-T632 WeakPolarHBondContact O-CB 3.25Å; P629-T632 PolarHBondContact O-N 3.37Å; P629-T632 VanDerWaalsContact O-N 3.07Å; P629-T632 PolarHBondContact O-OG1 3.03Å; K630-T632 PolarHBondContact O-N 3.13Å
633	L	92.5	Very high	79	Confident	10 Å²	10	84.1 Å²	84.1	5%	0.052	41%	0.405	C	S	.	.	S	Bend	trans	-76.7	132.7	170.7	-178.4	65.9	0	0	0	109.8	P595 L596 P606 L619 F635	P595-L633 HydrophobicContact CB-CD1 3.55Å; L596-L633 HydrophobicContact CD2-CB 4.44Å; L596-L633 HydrophobicContact CD2-CD1 4.4Å; L596-L633 HydrophobicContact CD2-CD2 3.97Å; P606-L633 HydrophobicContact CB-CD1 4.41Å; P606-L633 HydrophobicContact CG-CD1 4.28Å; L619-L633 HydrophobicContact CB-CD2 3.83Å; L619-L633 HydrophobicContact CD1-CD2 4.41Å; L633-F635 HydrophobicContact CD2-CE1 3.83Å; L633-F635 HydrophobicContact CD2-CE2 4.46Å; L633-F635 HydrophobicContact CD2-CZ 3.68Å; L633-F635 HydrophobicContact CG-CE1 4.43Å; L633-F635 HydrophobicContact CG-CZ 4.33Å
634	E	92.6	Very high	76.7	Confident	47 Å²	47	88.6 Å²	88.6	22%	0.22	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	146.4	171.4	-67.5	-71.2	174.4	0	0	110.7	K605 P606 Y607 S608	K605-E634 WeakPolarHBondContact CE-OE1 3.49Å; K605-E634 VanDerWaalsContact NZ-CG 3.28Å; K605-E634 IonicContact NZ-OE1 2.79Å; K605-E634 PolarHBondContact NZ-OE1 2.65Å; P606-E634 PolarHBondContact O-N 3.18Å; P606-E634 VanDerWaalsContact O-N 3.09Å; Y607-E634 CarbonylContact C-O 3.57Å; Y607-E634 WeakPolarHBondContact CA-O 3.45Å; Y607-E634 HydrophobicContact CD1-CB 3.39Å; Y607-E634 HydrophobicContact CD1-CG 4.17Å; Y607-E634 HydrophobicContact CE1-CB 3.45Å; Y607-E634 VanDerWaalsContact CE1-CB 3.45Å; Y607-E634 HydrophobicContact CE1-CG 3.74Å; Y607-E634 HydrophobicContact CG-CB 4.01Å; S608-E634 PolarHBondContact N-O 2.79Å
635	F	89.9	Confident	74.7	Confident	13 Å²	13	84.3 Å²	84.3	6%	0.057	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	102.3	175.5	-61.9	-73.9	0	0	0	109.2	V610 R616 L619 D620 L633 L637 R638	V610-F635 HydrophobicContact CG2-CD1 3.53Å; V610-F635 HydrophobicContact CG2-CE1 3.58Å; R616-F635 HydrophobicContact CB-CD1 4.48Å; R616-F635 HydrophobicContact CB-CE1 4.02Å; R616-F635 HydrophobicContact CB-CE2 4.33Å; R616-F635 HydrophobicContact CB-CZ 3.93Å; R616-F635 HydrophobicContact CG-CD1 3.82Å; R616-F635 HydrophobicContact CG-CE1 3.81Å; R616-F635 HydrophobicContact CG-CG 4.19Å; R616-F635 HydrophobicContact CG-CZ 4.17Å; L619-F635 HydrophobicContact CB-CE1 4.35Å; L619-F635 HydrophobicContact CB-CZ 4.32Å; L619-F635 HydrophobicContact CD1-CE1 4.12Å; D620-F635 WeakPolarHBondContact OD1-CE2 3.38Å; L633-F635 HydrophobicContact CD2-CE1 3.83Å; L633-F635 HydrophobicContact CD2-CE2 4.46Å; L633-F635 HydrophobicContact CD2-CZ 3.68Å; L633-F635 HydrophobicContact CG-CE1 4.43Å; L633-F635 HydrophobicContact CG-CZ 4.33Å; F635-L637 VanDerWaalsContact C-N 3.33Å; F635-L637 PolarHBondContact O-N 3.16Å; F635-R638 PolarHBondContact O-N 3.05Å
636	W	83.6	Confident	73.4	Confident	16 Å²	16	84.8 Å²	84.8	6%	0.061	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-60.1	-41.5	-168.2	-177	-110.3	0	0	0	112.9	L585 Y607 S608 R638 H639 M646 Q648 W656	L585-W636 HydrophobicContact CD1-CB 4.27Å; L585-W636 HydrophobicContact CD1-CD2 4.28Å; L585-W636 HydrophobicContact CD1-CG 4.05Å; Y607-W636 AromaticContact CD1-CE3 3.56Å; Y607-W636 HydrophobicContact CD1-CE3 3.56Å; Y607-W636 HydrophobicContact CD1-CZ3 4.23Å; Y607-W636 AromaticContact CE1-CE3 3.85Å; Y607-W636 HydrophobicContact CE1-CE3 3.85Å; Y607-W636 HydrophobicContact CE1-CZ3 4.13Å; Y607-W636 HydrophobicContact CG-CE3 4.41Å; S608-W636 PolarHBondContact O-N 3.26Å; W636-R638 PolarHBondContact O-N 3.23Å; W636-R638 VanDerWaalsContact O-N 3.09Å; W636-H639 PolarHBondContact O-N 2.97Å; W636-M646 PolarHBondContact NE1-O 3.48Å; W636-Q648 HydrophobicContact CH2-CB 4.45Å; W636-Q648 HydrophobicContact CZ2-CB 4.01Å; W636-W656 HydrophobicContact CE3-CH2 4.23Å; W636-W656 HydrophobicContact CE3-CZ2 4.34Å; W636-W656 HydrophobicContact CH2-CH2 4.48Å; W636-W656 AromaticContact CH2-CZ2 3.9Å; W636-W656 HydrophobicContact CH2-CZ2 3.9Å; W636-W656 HydrophobicContact CZ2-CZ2 4.34Å; W636-W656 HydrophobicContact CZ3-CH2 4.01Å; W636-W656 AromaticContact CZ3-CZ2 3.89Å; W636-W656 HydrophobicContact CZ3-CZ2 3.89Å
637	L	73.8	Confident	72.8	Confident	40 Å²	40	84.6 Å²	84.6	21%	0.209	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-67	-8.7	-177.8	-69.2	-178.8	0	0	0	115.4	S609 E611 F635 H639 M646	S609-L637 WeakPolarHBondContact O-CD1 3.24Å; E611-L637 HydrophobicContact CG-CD1 3.31Å; F635-L637 VanDerWaalsContact C-N 3.33Å; F635-L637 PolarHBondContact O-N 3.16Å; L637-H639 PolarHBondContact O-N 3.18Å; L637-M646 HydrophobicContact CD1-CE 3.63Å; L637-M646 HydrophobicContact CD2-CE 3.53Å; L637-M646 HydrophobicContact CD2-CG 3.67Å; L637-M646 HydrophobicContact CD2-SD 4.42Å; L637-M646 HydrophobicContact CG-CE 3.94Å
638	R	60.9	Low	72.6	Confident	163 Å²	163	81.1 Å²	81.1	62%	0.615	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-72.3	-15.2	169.9	-78.9	-171.1	168.3	175.4	0.6	113.6	F635 W636	F635-R638 PolarHBondContact O-N 3.05Å; W636-R638 PolarHBondContact O-N 3.23Å; W636-R638 VanDerWaalsContact O-N 3.09Å
639	H	56	Low	72.4	Confident	136 Å²	136	85.5 Å²	85.5	63%	0.63	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-110.5	4.3	-171.3	-62	-59.6	0	0	0	113.7	W636 L637	W636-H639 PolarHBondContact O-N 2.97Å; L637-H639 PolarHBondContact O-N 3.18Å
640	V	58	Low	72.4	Confident	27 Å²	27	81.8 Å²	81.8	16%	0.164	39%	0.391	C	S	.	.			trans	-124.1	119.1	-171.8	-166.1	0	0	0	0	108.9	D642 A645	V640-D642 VanDerWaalsContact C-N 3.34Å; V640-D642 WeakPolarHBondContact CG1-O 3.39Å; V640-A645 HydrophobicContact CG1-CB 3.32Å; V640-A645 WeakPolarHBondContact CG1-O 3.36Å
641	E	49.6	Very low	72.6	Confident	209 Å²	209	78.4 Å²	78.4	98%	0.977	38%	0.376	S	S	*	.	S	Bend	trans	-83.9	-6.8	-179.6	-67.3	-178.3	168.4	0	0	113.1
642	D	52.9	Low	72.7	Confident	94 Å²	94	76.1 Å²	76.1	50%	0.503	38%	0.378	S	S	.	.	S	Bend	trans	-143.8	132.3	-171.4	-172.8	-23.3	0	0	0	110.9	V640 S644 A645	V640-D642 VanDerWaalsContact C-N 3.34Å; V640-D642 WeakPolarHBondContact CG1-O 3.39Å; D642-S644 PolarHBondContact O-N 2.98Å; D642-S644 WeakPolarHBondContact OD1-CB 3.44Å; D642-S644 PolarHBondContact OD1-N 2.82Å; D642-S644 PolarHBondContact OD1-OG 3.38Å; D642-S644 PolarHBondContact OD2-OG 3.46Å; D642-A645 HydrophobicContact CB-CB 4.26Å; D642-A645 WeakPolarHBondContact O-CB 3.36Å; D642-A645 PolarHBondContact O-N 2.97Å
643	E	47.7	Very low	72.7	Confident	174 Å²	174	79.9 Å²	79.9	81%	0.813	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-59.5	-31.7	177.5	-71.9	-178	177.9	0	0	112.5	A645 M646	E643-A645 PolarHBondContact O-N 3.09Å; E643-A645 VanDerWaalsContact O-N 3.1Å; E643-M646 PolarHBondContact O-N 3.31Å
644	S	45.9	Very low	72.7	Confident	103 Å²	103	81.7 Å²	81.7	72%	0.72	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-66.5	-11.3	175.6	71.2	0	0	0	0	113.4	D642	D642-S644 PolarHBondContact O-N 2.98Å; D642-S644 WeakPolarHBondContact OD1-CB 3.44Å; D642-S644 PolarHBondContact OD1-N 2.82Å; D642-S644 PolarHBondContact OD1-OG 3.38Å; D642-S644 PolarHBondContact OD2-OG 3.46Å
645	A	52.9	Low	72.8	Confident	19 Å²	19	82 Å²	82	16%	0.157	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-101.6	9.7	-179.8	0	0	0	0	0	114	V640 D642 E643 L647 Q648	V640-A645 HydrophobicContact CG1-CB 3.32Å; V640-A645 WeakPolarHBondContact CG1-O 3.36Å; D642-A645 HydrophobicContact CB-CB 4.26Å; D642-A645 WeakPolarHBondContact O-CB 3.36Å; D642-A645 PolarHBondContact O-N 2.97Å; E643-A645 PolarHBondContact O-N 3.09Å; E643-A645 VanDerWaalsContact O-N 3.1Å; A645-L647 VanDerWaalsContact C-N 3.27Å; A645-L647 PolarHBondContact O-N 3.1Å; A645-Q648 VanDerWaalsContact CB-NE2 3.3Å; A645-Q648 WeakPolarHBondContact O-CG 3.32Å
646	M	66.3	Low	73.2	Confident	42 Å²	42	81.4 Å²	81.4	21%	0.207	41%	0.405	C	S	.	.	S	Bend	trans	-57.9	-31.1	177.9	-109.8	-162.3	170.8	0	0	114.1	V587 W636 L637 E643	V587-M646 HydrophobicContact CG1-SD 4.09Å; W636-M646 PolarHBondContact NE1-O 3.48Å; L637-M646 HydrophobicContact CD1-CE 3.63Å; L637-M646 HydrophobicContact CD2-CE 3.53Å; L637-M646 HydrophobicContact CD2-CG 3.67Å; L637-M646 HydrophobicContact CD2-SD 4.42Å; L637-M646 HydrophobicContact CG-CE 3.94Å; E643-M646 PolarHBondContact O-N 3.31Å
647	L	83	Confident	73.8	Confident	24 Å²	24	80.7 Å²	80.7	13%	0.126	40%	0.402	C	S	.	.	S	Bend	trans	-107	91.8	-178.3	-71.3	174.2	0	0	0	111.3	L585 V587 A645 K677 I680 L684	L585-L647 HydrophobicContact CD2-CD2 4.14Å; V587-L647 HydrophobicContact CG2-CD2 4Å; A645-L647 VanDerWaalsContact C-N 3.27Å; A645-L647 PolarHBondContact O-N 3.1Å; L647-K677 HydrophobicContact CD1-CB 3.94Å; L647-K677 HydrophobicContact CD1-CG 4.2Å; L647-K677 WeakPolarHBondContact CD1-O 3.27Å; L647-I680 HydrophobicContact CB-CG2 3.69Å; L647-I680 HydrophobicContact CD1-CB 4.12Å; L647-I680 HydrophobicContact CD1-CG2 4.16Å; L647-L684 HydrophobicContact CB-CD1 4Å; L647-L684 WeakPolarHBondContact O-CD1 3.34Å
648	Q	88.2	Confident	75	Confident	99 Å²	99	78.8 Å²	78.8	46%	0.463	39%	0.392	S	S	.	.			trans	-130.6	175.6	173.7	-59.2	-178.3	6.3	0	0	111.6	W636 A645 W656	W636-Q648 HydrophobicContact CH2-CB 4.45Å; W636-Q648 HydrophobicContact CZ2-CB 4.01Å; A645-Q648 VanDerWaalsContact CB-NE2 3.3Å; A645-Q648 WeakPolarHBondContact O-CG 3.32Å; Q648-W656 PolarHBondContact O-NE1 3.47Å
649	R	88.8	Confident	76.8	Confident	124 Å²	124	71 Å²	71	47%	0.468	36%	0.363	S	S	.	.			trans	-69.3	145.6	175	-67	-175.3	178.3	-176.4	-2	110.6	K651 S652 K654 L655 L684	R649-K651 WeakPolarHBondContact CB-O 3.44Å; R649-K651 PolarHBondContact O-N 3.35Å; R649-S652 PolarHBondContact NH1-O 3.23Å; R649-K654 WeakPolarHBondContact CB-O 3.31Å; R649-K654 WeakPolarHBondContact CD-O 3.49Å; R649-L655 HydrophobicContact CG-CD2 4.24Å; R649-L684 HydrophobicContact CG-CD2 3.76Å
650	P	87.3	Confident	78.8	Confident	15 Å²	15	64.6 Å²	64.6	10%	0.097	33%	0.333	C	S	.	.	S	Bend	trans	-61.7	-31	178.7	19.7	-25.4	0	0	0	112.4	Y583 K654 W656	Y583-P650 HydrophobicContact CD1-CB 3.63Å; Y583-P650 HydrophobicContact CD1-CG 4.01Å; Y583-P650 HydrophobicContact CD2-CG 4.31Å; Y583-P650 HydrophobicContact CE1-CB 4.16Å; Y583-P650 HydrophobicContact CG-CB 4Å; Y583-P650 HydrophobicContact CG-CG 3.84Å; P650-K654 HydrophobicContact CG-CB 3.96Å; P650-W656 HydrophobicContact CB-CD2 4.31Å; P650-W656 HydrophobicContact CB-CE3 4.17Å; P650-W656 HydrophobicContact CB-CH2 3.55Å; P650-W656 HydrophobicContact CB-CZ2 3.69Å; P650-W656 HydrophobicContact CB-CZ3 3.8Å; P650-W656 VanDerWaalsContact CD-CE2 3.46Å; P650-W656 HydrophobicContact CG-CD2 3.96Å; P650-W656 HydrophobicContact CG-CE3 4.1Å; P650-W656 HydrophobicContact CG-CH2 4.27Å; P650-W656 HydrophobicContact CG-CZ2 4.14Å; P650-W656 HydrophobicContact CG-CZ3 4.24Å
651	K	86.3	Confident	80.5	Confident	105 Å²	105	63.6 Å²	63.6	46%	0.457	33%	0.327	S	S	.	.	S	Bend	trans	-147.3	161.2	171.2	-60.5	-179.1	178.9	173.4	0	108.3	Y583 R649 D653 K654	Y583-K651 WeakPolarHBondContact OH-CE 3.22Å; Y583-K651 PolarHBondContact OH-NZ 2.66Å; R649-K651 WeakPolarHBondContact CB-O 3.44Å; R649-K651 PolarHBondContact O-N 3.35Å; K651-D653 PolarHBondContact O-N 2.69Å; K651-K654 HydrophobicContact CB-CB 4.03Å; K651-K654 HydrophobicContact CB-CG 3.87Å; K651-K654 HydrophobicContact CD-CG 4.16Å; K651-K654 HydrophobicContact CG-CG 4.37Å; K651-K654 PolarHBondContact O-N 3.01Å
652	S	83.4	Confident	82.5	Confident	112 Å²	112	55.2 Å²	55.2	78%	0.783	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-36.2	-177.1	53.6	0	0	0	0	114	R649	R649-S652 PolarHBondContact NH1-O 3.23Å
653	D	88.3	Confident	84.5	Confident	106 Å²	106	50.8 Å²	50.8	57%	0.567	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	1.1	-177.8	71.1	-40.4	0	0	0	114.8	K651	K651-D653 PolarHBondContact O-N 2.69Å
654	K	91.9	Very high	86.7	Confident	48 Å²	48	42.5 Å²	42.5	21%	0.209	23%	0.226	C	C	.	.			trans	-112.5	159.8	-173.9	-57.8	-50	-177.7	170	0	113	E580 Y583 R649 P650 K651	E580-K654 WeakPolarHBondContact OE1-CD 3.26Å; E580-K654 WeakPolarHBondContact OE1-CE 3.44Å; E580-K654 IonicContact OE1-NZ 3.32Å; E580-K654 PolarHBondContact OE1-NZ 3.31Å; E580-K654 IonicContact OE2-NZ 2.72Å; E580-K654 PolarHBondContact OE2-NZ 2.87Å; Y583-K654 HydrophobicContact CD2-CB 4.47Å; Y583-K654 HydrophobicContact CE2-CB 4.19Å; Y583-K654 HydrophobicContact CE2-CG 4.14Å; R649-K654 WeakPolarHBondContact CB-O 3.31Å; R649-K654 WeakPolarHBondContact CD-O 3.49Å; P650-K654 HydrophobicContact CG-CB 3.96Å; K651-K654 HydrophobicContact CB-CB 4.03Å; K651-K654 HydrophobicContact CB-CG 3.87Å; K651-K654 HydrophobicContact CD-CG 4.16Å; K651-K654 HydrophobicContact CG-CG 4.37Å; K651-K654 PolarHBondContact O-N 3.01Å
655	L	94.9	Very high	88.9	Confident	54 Å²	54	39.7 Å²	39.7	28%	0.283	20%	0.202	S	C	.	.			trans	-131	155.2	179.9	-66.2	171.5	0	0	0	109.8	R649 L684 Q686	R649-L655 HydrophobicContact CG-CD2 4.24Å; L655-L684 WeakPolarHBondContact CA-O 3.48Å; L655-L684 WeakPolarHBondContact CB-O 3.48Å; L655-L684 WeakPolarHBondContact CD2-O 3.36Å; L655-Q686 HydrophobicContact CB-CB 3.89Å
656	W	96.7	Very high	90.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	140.5	179.9	-60.7	108.8	0	0	0	111.4	L585 Y607 W636 Q648 P650 I659 L684 L685 Q686	L585-W656 HydrophobicContact CB-CD2 3.8Å; L585-W656 HydrophobicContact CB-CE3 3.63Å; L585-W656 HydrophobicContact CB-CH2 3.85Å; L585-W656 HydrophobicContact CB-CZ2 4Å; L585-W656 HydrophobicContact CB-CZ3 3.66Å; L585-W656 HydrophobicContact CD1-CH2 4.05Å; L585-W656 HydrophobicContact CD1-CZ2 4.22Å; L585-W656 HydrophobicContact CD2-CD2 4.48Å; L585-W656 HydrophobicContact CD2-CH2 4.42Å; L585-W656 HydrophobicContact CD2-CZ2 3.86Å; L585-W656 HydrophobicContact CG-CH2 4.32Å; L585-W656 HydrophobicContact CG-CZ2 4.25Å; Y607-W656 HydrophobicContact CD1-CH2 4.23Å; Y607-W656 AromaticContact CD2-CH2 3.69Å; Y607-W656 HydrophobicContact CD2-CH2 3.69Å; Y607-W656 AromaticContact CD2-CZ3 3.49Å; Y607-W656 HydrophobicContact CD2-CZ3 3.49Å; Y607-W656 VanDerWaalsContact CD2-CZ3 3.49Å; Y607-W656 HydrophobicContact CE2-CH2 4.05Å; Y607-W656 AromaticContact CE2-CZ3 3.92Å; Y607-W656 HydrophobicContact CE2-CZ3 3.92Å; Y607-W656 AromaticContact CG-CH2 3.78Å; Y607-W656 HydrophobicContact CG-CH2 3.78Å; Y607-W656 AromaticContact CG-CZ3 3.99Å; Y607-W656 HydrophobicContact CG-CZ3 3.99Å; W636-W656 HydrophobicContact CE3-CH2 4.23Å; W636-W656 HydrophobicContact CE3-CZ2 4.34Å; W636-W656 HydrophobicContact CH2-CH2 4.48Å; W636-W656 AromaticContact CH2-CZ2 3.9Å; W636-W656 HydrophobicContact CH2-CZ2 3.9Å; W636-W656 HydrophobicContact CZ2-CZ2 4.34Å; W636-W656 HydrophobicContact CZ3-CH2 4.01Å; W636-W656 AromaticContact CZ3-CZ2 3.89Å; W636-W656 HydrophobicContact CZ3-CZ2 3.89Å; Q648-W656 PolarHBondContact O-NE1 3.47Å; P650-W656 HydrophobicContact CB-CD2 4.31Å; P650-W656 HydrophobicContact CB-CE3 4.17Å; P650-W656 HydrophobicContact CB-CH2 3.55Å; P650-W656 HydrophobicContact CB-CZ2 3.69Å; P650-W656 HydrophobicContact CB-CZ3 3.8Å; P650-W656 VanDerWaalsContact CD-CE2 3.46Å; P650-W656 HydrophobicContact CG-CD2 3.96Å; P650-W656 HydrophobicContact CG-CE3 4.1Å; P650-W656 HydrophobicContact CG-CH2 4.27Å; P650-W656 HydrophobicContact CG-CZ2 4.14Å; P650-W656 HydrophobicContact CG-CZ3 4.24Å; W656-I659 HydrophobicContact CB-CD1 3.9Å; W656-I659 HydrophobicContact CB-CG1 3.57Å; W656-I659 HydrophobicContact CG-CD1 3.94Å; W656-I659 HydrophobicContact CG-CG1 3.76Å; W656-L684 PolarHBondContact N-O 3.21Å; W656-L685 HydrophobicContact CB-CD2 4.13Å; W656-L685 WeakPolarHBondContact O-CA 3.15Å; W656-L685 WeakPolarHBondContact O-CD2 3.25Å; W656-Q686 WeakPolarHBondContact O-CG 3.1Å; W656-Q686 PolarHBondContact O-N 3.4Å
657	S	97.4	Very high	91.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-43.4	169.9	-51.7	0	0	0	0	110.8	F582 Y583 Q686 G689 K690	F582-S657 WeakPolarHBondContact CB-OG 3.42Å; F582-S657 WeakPolarHBondContact CD1-OG 3.33Å; Y583-S657 PolarHBondContact N-OG 2.94Å; Y583-S657 WeakPolarHBondContact O-CB 3.45Å; Y583-S657 PolarHBondContact O-N 2.86Å; S657-Q686 VanDerWaalsContact CB-NE2 3.33Å; S657-Q686 PolarHBondContact OG-NE2 3.3Å; S657-G689 CarbonylContact O-C 3.54Å; S657-G689 WeakPolarHBondContact O-CA 3.41Å; S657-K690 PolarHBondContact O-N 3.23Å
658	I	98.4	Very high	92.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	136.3	178	-60.4	169.5	0	0	0	108.1	M541 V544 L545 Y583 V584 L585 I660 K690 F692	M541-I658 HydrophobicContact CB-CD1 4.03Å; M541-I658 HydrophobicContact CG-CD1 3.92Å; V544-I658 HydrophobicContact CB-CD1 4.05Å; V544-I658 HydrophobicContact CB-CG1 4.34Å; V544-I658 HydrophobicContact CG1-CD1 4.02Å; V544-I658 HydrophobicContact CG1-CG1 3.81Å; L545-I658 HydrophobicContact CD2-CD1 4.12Å; L545-I658 HydrophobicContact CG-CD1 4.23Å; Y583-I658 PolarHBondContact O-N 2.87Å; V584-I658 WeakPolarHBondContact CA-O 2.83Å; V584-I658 HydrophobicContact CG1-CB 4.12Å; V584-I658 HydrophobicContact CG1-CG2 4.32Å; V584-I658 HydrophobicContact CG2-CB 4.12Å; V584-I658 HydrophobicContact CG2-CD1 4.35Å; L585-I658 PolarHBondContact N-O 3.19Å; I658-I660 HydrophobicContact CG2-CG1 4.04Å; I658-K690 VanDerWaalsContact CA-O 3.31Å; I658-K690 WeakPolarHBondContact CA-O 3.41Å; I658-F692 HydrophobicContact CD1-CE2 4.27Å; I658-F692 HydrophobicContact CG2-CD2 3.67Å; I658-F692 HydrophobicContact CG2-CE2 3.89Å; I658-F692 HydrophobicContact CG2-CG 4.42Å
659	I	98.1	Very high	92.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126	167.5	-59.7	170.7	0	0	0	107.3	L585 V587 W656 L661 S681 L684 L685 K690 I691 F692	L585-I659 HydrophobicContact CB-CG1 4.47Å; L585-I659 CarbonylContact O-C 3.58Å; L585-I659 WeakPolarHBondContact O-CA 3.44Å; V587-I659 HydrophobicContact CG2-CG2 4.16Å; W656-I659 HydrophobicContact CB-CD1 3.9Å; W656-I659 HydrophobicContact CB-CG1 3.57Å; W656-I659 HydrophobicContact CG-CD1 3.94Å; W656-I659 HydrophobicContact CG-CG1 3.76Å; I659-L661 HydrophobicContact CG2-CD2 3.83Å; I659-L661 HydrophobicContact CG2-CG 4.28Å; I659-S681 WeakPolarHBondContact CD1-O 3.18Å; I659-L684 HydrophobicContact CD1-CB 4.21Å; I659-L685 HydrophobicContact CD1-CD2 3.88Å; I659-L685 HydrophobicContact CD1-CG 4.17Å; I659-L685 HydrophobicContact CG1-CD2 3.87Å; I659-K690 PolarHBondContact N-O 3.44Å; I659-I691 CarbonylContact O-C 3.59Å; I659-I691 VanDerWaalsContact O-CA 3.27Å; I659-I691 WeakPolarHBondContact O-CA 3.44Å; I659-F692 PolarHBondContact O-N 2.99Å
660	I	98.1	Very high	92.6	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.1	177.2	-52.7	172.5	0	0	0	107.2	F537 M541 L585 V587 L594 I658 F692	F537-I660 HydrophobicContact CD1-CD1 4.29Å; F537-I660 HydrophobicContact CE1-CD1 4.24Å; F537-I660 HydrophobicContact CE1-CG1 4.32Å; F537-I660 HydrophobicContact CE1-CG2 3.69Å; F537-I660 HydrophobicContact CZ-CG2 3.99Å; M541-I660 HydrophobicContact SD-CD1 4.31Å; L585-I660 PolarHBondContact O-N 3.33Å; V587-I660 WeakPolarHBondContact CB-O 3.35Å; V587-I660 WeakPolarHBondContact CG2-O 3.47Å; V587-I660 PolarHBondContact N-O 3.32Å; L594-I660 HydrophobicContact CB-CD1 4.13Å; L594-I660 HydrophobicContact CD1-CD1 3.98Å; L594-I660 HydrophobicContact CD1-CG2 4.06Å; I658-I660 HydrophobicContact CG2-CG1 4.04Å; I660-F692 HydrophobicContact CG1-CB 4.37Å; I660-F692 HydrophobicContact CG1-CD2 4.48Å
661	L	95.4	Very high	92.7	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.031	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138	177.9	-59.8	-178	0	0	0	109.4	V587 I659 I674 K677 A678 I691 F692 L761	V587-L661 HydrophobicContact CB-CD2 4.04Å; V587-L661 HydrophobicContact CG2-CD2 4Å; I659-L661 HydrophobicContact CG2-CD2 3.83Å; I659-L661 HydrophobicContact CG2-CG 4.28Å; L661-I674 HydrophobicContact CB-CD1 3.96Å; L661-I674 HydrophobicContact CD1-CD1 4.14Å; L661-K677 HydrophobicContact CD1-CB 4.47Å; L661-A678 HydrophobicContact CD1-CB 4.11Å; L661-I691 HydrophobicContact CD1-CG2 3.75Å; L661-I691 HydrophobicContact CG-CG2 3.96Å; L661-F692 PolarHBondContact N-O 2.88Å; L661-L761 HydrophobicContact CD1-CD2 4.25Å
662	D	91.8	Very high	92.5	Very high	33 Å²	33	30 Å²	30	18%	0.176	17%	0.165	C	C	.	.			trans	-78.7	122.8	165.7	-163.9	-2.9	0	0	0	109.8	I674	D662-I674 WeakPolarHBondContact O-CD1 3.46Å
663	V	93.6	Very high	92.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.			trans	-111.2	-28.2	-171.5	-176.7	0	0	0	0	112.1	I670 Q671 I674 P693 V696 L761 M792	V663-I670 WeakPolarHBondContact O-CA 3.21Å; V663-Q671 PolarHBondContact O-N 2.83Å; V663-I674 HydrophobicContact CB-CG1 4.3Å; V663-I674 HydrophobicContact CG1-CG1 4.08Å; V663-I674 HydrophobicContact CG2-CD1 4.14Å; V663-I674 HydrophobicContact CG2-CG1 4.09Å; V663-P693 HydrophobicContact CG2-CG 3.66Å; V663-V696 HydrophobicContact CB-CG2 4.49Å; V663-V696 HydrophobicContact CG1-CG2 3.89Å; V663-L761 HydrophobicContact CG2-CD2 3.67Å; V663-M792 HydrophobicContact CB-CE 4.15Å; V663-M792 HydrophobicContact CG2-CE 4.35Å
664	I	94.5	Very high	92.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-123.6	122.6	-170.5	-56.2	-58.3	0	0	0	108.2	L669 I670 Y790 M792 T802 W809	I664-L669 CarbonylContact C-O 3.59Å; I664-L669 WeakPolarHBondContact CA-O 3.39Å; I664-I670 HydrophobicContact CD1-CG1 4.14Å; I664-Y790 HydrophobicContact CD1-CD1 3.72Å; I664-Y790 HydrophobicContact CD1-CD2 3.58Å; I664-Y790 HydrophobicContact CD1-CE1 3.84Å; I664-Y790 HydrophobicContact CD1-CE2 3.72Å; I664-Y790 HydrophobicContact CD1-CG 3.58Å; I664-Y790 HydrophobicContact CG1-CD2 3.98Å; I664-Y790 HydrophobicContact CG1-CE2 4.42Å; I664-Y790 HydrophobicContact CG1-CG 4.13Å; I664-Y790 HydrophobicContact CG2-CD2 3.9Å; I664-Y790 HydrophobicContact CG2-CE2 3.92Å; I664-M792 HydrophobicContact CG1-CG 4.46Å; I664-M792 HydrophobicContact CG1-SD 3.96Å; I664-T802 HydrophobicContact CG2-CG2 4.45Å; I664-W809 HydrophobicContact CG2-CG 4.28Å; I664-W809 PolarHBondContact O-NE1 3.33Å
665	E	91.7	Very high	92.3	Very high	45 Å²	45	24.4 Å²	24.4	21%	0.21	12%	0.124	C	C	.	.			trans	-67	152.7	174.4	-67.2	178.2	-171.4	0	0	110.7	S667 G668 L669 Q671	E665-S667 VanDerWaalsContact CB-OG 3.28Å; E665-S667 WeakPolarHBondContact CB-OG 3.43Å; E665-S667 PolarHBondContact O-N 2.81Å; E665-S667 PolarHBondContact OE2-OG 2.93Å; E665-G668 PolarHBondContact O-N 3.39Å; E665-L669 PolarHBondContact N-O 3.18Å; E665-Q671 HydrophobicContact CG-CG 3.97Å
666	P	91.7	Very high	91.9	Very high	50 Å²	50	27 Å²	27	33%	0.325	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-24.2	172.1	-26.6	35	0	0	0	113.9	T523 G668 K810	T523-P666 HydrophobicContact CG2-CB 4.05Å; P666-G668 VanDerWaalsContact C-N 3.26Å; P666-G668 PolarHBondContact O-N 2.84Å; P666-K810 WeakPolarHBondContact O-CB 2.99Å; P666-K810 PolarHBondContact O-N 2.83Å
667	S	89.8	Confident	91.6	Very high	8 Å²	8	29.5 Å²	29.5	6%	0.056	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.9	176.5	70.7	0	0	0	0	114.3	E665 L669 V738 F739	E665-S667 VanDerWaalsContact CB-OG 3.28Å; E665-S667 WeakPolarHBondContact CB-OG 3.43Å; E665-S667 PolarHBondContact O-N 2.81Å; E665-S667 PolarHBondContact OE2-OG 2.93Å; S667-L669 PolarHBondContact OG-N 3.23Å; S667-V738 WeakPolarHBondContact O-CB 3.06Å; S667-F739 PolarHBondContact O-N 2.81Å; S667-F739 VanDerWaalsContact O-N 3.12Å
668	G	92.8	Very high	91.3	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.01	15%	0.146	C	C	.	.	S	Bend	trans	91.3	10.1	-171.1	0	0	0	0	0	114.1	E665 P666 F788 Y790 K810	E665-G668 PolarHBondContact O-N 3.39Å; P666-G668 VanDerWaalsContact C-N 3.26Å; P666-G668 PolarHBondContact O-N 2.84Å; G668-F788 WeakPolarHBondContact O-CE2 3.18Å; G668-Y790 WeakPolarHBondContact O-CE2 3.45Å; G668-Y790 PolarHBondContact O-OH 3.3Å; G668-K810 VanDerWaalsContact CA-O 3.22Å; G668-K810 WeakPolarHBondContact CA-O 3.36Å
669	L	92	Very high	91	Very high	51 Å²	51	31.6 Å²	31.6	27%	0.267	16%	0.163	S	C	.	.	S	Bend	trans	-96.1	167.7	173.1	-58.5	-175.9	0	0	0	111.9	I664 E665 S667 I736 V738 F788 A812	I664-L669 CarbonylContact C-O 3.59Å; I664-L669 WeakPolarHBondContact CA-O 3.39Å; E665-L669 PolarHBondContact N-O 3.18Å; S667-L669 PolarHBondContact OG-N 3.23Å; L669-I736 HydrophobicContact CD2-CG2 3.92Å; L669-V738 HydrophobicContact CD1-CG1 3.81Å; L669-V738 HydrophobicContact CD2-CG1 3.81Å; L669-V738 HydrophobicContact CG-CG1 3.67Å; L669-F788 HydrophobicContact CD2-CE2 4.47Å; L669-F788 HydrophobicContact CD2-CZ 4.08Å; L669-A812 HydrophobicContact CD2-CB 4.26Å
670	I	91.5	Very high	90.7	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.036	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-81.7	132.8	173.1	-66.8	155.5	0	0	0	108.6	V663 I664 I674 L759 Y790 V839	V663-I670 WeakPolarHBondContact O-CA 3.21Å; I664-I670 HydrophobicContact CD1-CG1 4.14Å; I670-I674 HydrophobicContact CG2-CG2 3.6Å; I670-L759 HydrophobicContact CD1-CD1 3.81Å; I670-L759 HydrophobicContact CG1-CD1 4.32Å; I670-L759 HydrophobicContact CG2-CD1 4.36Å; I670-Y790 HydrophobicContact CD1-CE1 4.2Å; I670-Y790 HydrophobicContact CG1-CE1 3.9Å; I670-V839 HydrophobicContact CD1-CG2 3.59Å
671	Q	87.8	Confident	90.5	Very high	13 Å²	13	35.7 Å²	35.7	6%	0.061	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-54.4	142.6	177.3	-85.5	-76.3	14.4	0	0	112.5	E589 V663 E665 I674 S837	E589-Q671 VanDerWaalsContact CD-NE2 3.26Å; E589-Q671 PolarHBondContact OE2-NE2 2.87Å; V663-Q671 PolarHBondContact O-N 2.83Å; E665-Q671 HydrophobicContact CG-CG 3.97Å; Q671-I674 HydrophobicContact CB-CB 4.4Å; Q671-I674 WeakPolarHBondContact O-CG2 3.34Å; Q671-S837 VanDerWaalsContact O-CB 3.29Å; Q671-S837 WeakPolarHBondContact O-CB 3.49Å; Q671-S837 PolarHBondContact O-OG 2.69Å
672	Q	81.9	Confident	90.5	Very high	95 Å²	95	40.7 Å²	40.7	44%	0.444	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	143.1	177.5	-63.6	-163.4	-6.2	0	0	111.5	I674 S837	Q672-I674 PolarHBondContact O-N 3.04Å; Q672-S837 VanDerWaalsContact CA-OG 3.27Å; Q672-S837 WeakPolarHBondContact CA-OG 3.37Å
673	E	83.5	Confident	90.5	Very high	115 Å²	115	44 Å²	44	54%	0.537	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	13.4	175.7	-55.7	178.5	176	0	0	115.2	M675 E676 K677 S837	E673-M675 PolarHBondContact O-N 3.13Å; E673-M675 VanDerWaalsContact O-N 3.13Å; E673-E676 WeakPolarHBondContact O-CA 3.27Å; E673-E676 WeakPolarHBondContact O-CB 3.39Å; E673-E676 PolarHBondContact O-N 3.38Å; E673-K677 PolarHBondContact O-N 2.85Å; E673-S837 PolarHBondContact N-OG 3.3Å; E673-S837 VanDerWaalsContact N-OG 3.12Å
674	I	88.3	Confident	90.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-59.8	-32.7	-174.8	-168.8	53.6	0	0	0	113.2	L661 D662 V663 I670 Q671 Q672 E676 K677 A678	L661-I674 HydrophobicContact CB-CD1 3.96Å; L661-I674 HydrophobicContact CD1-CD1 4.14Å; D662-I674 WeakPolarHBondContact O-CD1 3.46Å; V663-I674 HydrophobicContact CB-CG1 4.3Å; V663-I674 HydrophobicContact CG1-CG1 4.08Å; V663-I674 HydrophobicContact CG2-CD1 4.14Å; V663-I674 HydrophobicContact CG2-CG1 4.09Å; I670-I674 HydrophobicContact CG2-CG2 3.6Å; Q671-I674 HydrophobicContact CB-CB 4.4Å; Q671-I674 WeakPolarHBondContact O-CG2 3.34Å; Q672-I674 PolarHBondContact O-N 3.04Å; I674-E676 VanDerWaalsContact C-N 3.33Å; I674-K677 HydrophobicContact CD1-CB 4.46Å; I674-A678 VanDerWaalsContact O-CB 3.25Å; I674-A678 WeakPolarHBondContact O-CB 3.37Å; I674-A678 PolarHBondContact O-N 3.36Å
675	M	87.8	Confident	90.7	Very high	31 Å²	31	45.3 Å²	45.3	15%	0.153	23%	0.234	C	C	.	.	H	α-helix	trans	-69.8	-32.7	177.4	-65.7	-49.8	-47.2	0	0	112.5	E673 A679 L759 P764 N767	E673-M675 PolarHBondContact O-N 3.13Å; E673-M675 VanDerWaalsContact O-N 3.13Å; M675-A679 WeakPolarHBondContact O-CB 3.27Å; M675-A679 PolarHBondContact O-N 2.77Å; M675-L759 HydrophobicContact SD-CD2 4.38Å; M675-P764 HydrophobicContact CE-CB 3.87Å; M675-N767 WeakPolarHBondContact CE-ND2 3.27Å
676	E	87.7	Confident	90.9	Very high	109 Å²	109	45.7 Å²	45.7	51%	0.509	24%	0.236	S	C	.	.	H	α-helix	trans	-73.4	-47.1	175.6	-58.9	-176.5	-168.1	0	0	109.9	E673 I674 A678 A679 I680	E673-E676 WeakPolarHBondContact O-CA 3.27Å; E673-E676 WeakPolarHBondContact O-CB 3.39Å; E673-E676 PolarHBondContact O-N 3.38Å; I674-E676 VanDerWaalsContact C-N 3.33Å; E676-A678 VanDerWaalsContact C-N 3.33Å; E676-A678 PolarHBondContact O-N 2.71Å; E676-A679 PolarHBondContact O-N 3.37Å; E676-A679 VanDerWaalsContact O-N 3.15Å; E676-I680 WeakPolarHBondContact O-CG1 3.35Å; E676-I680 PolarHBondContact O-N 3.39Å
677	K	89.8	Confident	90.9	Very high	53 Å²	53	49 Å²	49	23%	0.23	26%	0.26	C	S	.	.	H	α-helix	trans	-53.5	-49.3	172.1	-68.7	-178.8	-178.6	178	0	110.6	E589 L647 L661 E673 I674 A679 I680 S681	E589-K677 IonicContact OE1-NZ 3.8Å; L647-K677 HydrophobicContact CD1-CB 3.94Å; L647-K677 HydrophobicContact CD1-CG 4.2Å; L647-K677 WeakPolarHBondContact CD1-O 3.27Å; L661-K677 HydrophobicContact CD1-CB 4.47Å; E673-K677 PolarHBondContact O-N 2.85Å; I674-K677 HydrophobicContact CD1-CB 4.46Å; K677-A679 PolarHBondContact O-N 2.74Å; K677-I680 PolarHBondContact O-N 2.85Å; K677-S681 WeakPolarHBondContact O-CB 3.47Å; K677-S681 PolarHBondContact O-N 3.34Å; K677-S681 PolarHBondContact O-OG 2.92Å
678	A	91.9	Very high	91.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.2	-41.3	177.9	0	0	0	0	0	113.2	L661 I674 E676 S681 R682 I691 L761 P764	L661-A678 HydrophobicContact CD1-CB 4.11Å; I674-A678 VanDerWaalsContact O-CB 3.25Å; I674-A678 WeakPolarHBondContact O-CB 3.37Å; I674-A678 PolarHBondContact O-N 3.36Å; E676-A678 VanDerWaalsContact C-N 3.33Å; E676-A678 PolarHBondContact O-N 2.71Å; A678-S681 PolarHBondContact O-N 3.25Å; A678-R682 WeakPolarHBondContact O-CB 3.43Å; A678-R682 PolarHBondContact O-N 3.4Å; A678-I691 WeakPolarHBondContact O-CD1 3.49Å; A678-L761 HydrophobicContact CB-CB 4.09Å; A678-L761 HydrophobicContact CB-CD2 4.47Å; A678-L761 HydrophobicContact CB-CG 3.97Å; A678-P764 HydrophobicContact CB-CG 4.36Å
679	A	91.4	Very high	91.2	Very high	44 Å²	44	51 Å²	51	36%	0.364	28%	0.282	S	S	.	.	H	α-helix	trans	-63.3	-43.8	176.9	0	0	0	0	0	112.2	M675 E676 K677 R682 P764	M675-A679 WeakPolarHBondContact O-CB 3.27Å; M675-A679 PolarHBondContact O-N 2.77Å; E676-A679 PolarHBondContact O-N 3.37Å; E676-A679 VanDerWaalsContact O-N 3.15Å; K677-A679 PolarHBondContact O-N 2.74Å; A679-R682 PolarHBondContact O-N 3.2Å; A679-P764 HydrophobicContact CB-CB 4.49Å; A679-P764 HydrophobicContact CB-CG 4.37Å
680	I	92.1	Very high	91.5	Very high	87 Å²	87	51.6 Å²	51.6	45%	0.446	28%	0.282	S	S	.	.	H	α-helix	trans	-65.9	-50.2	176.1	-63.3	167.6	0	0	0	110.1	L647 E676 K677 R682 C683 L684	L647-I680 HydrophobicContact CB-CG2 3.69Å; L647-I680 HydrophobicContact CD1-CB 4.12Å; L647-I680 HydrophobicContact CD1-CG2 4.16Å; E676-I680 WeakPolarHBondContact O-CG1 3.35Å; E676-I680 PolarHBondContact O-N 3.39Å; K677-I680 PolarHBondContact O-N 2.85Å; I680-R682 PolarHBondContact O-N 2.85Å; I680-R682 VanDerWaalsContact O-N 3.17Å; I680-C683 WeakPolarHBondContact O-CB 3.5Å; I680-C683 PolarHBondContact O-N 2.84Å; I680-L684 HydrophobicContact CG2-CD1 4.03Å; I680-L684 WeakPolarHBondContact O-CG 3.44Å; I680-L684 PolarHBondContact O-N 3.23Å
681	S	93.6	Very high	91.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-53.3	-39.1	177.4	-63.9	0	0	0	0	111.8	I659 K677 A678 C683 L684 L685	I659-S681 WeakPolarHBondContact CD1-O 3.18Å; K677-S681 WeakPolarHBondContact O-CB 3.47Å; K677-S681 PolarHBondContact O-N 3.34Å; K677-S681 PolarHBondContact O-OG 2.92Å; A678-S681 PolarHBondContact O-N 3.25Å; S681-C683 PolarHBondContact O-N 3.01Å; S681-L684 PolarHBondContact O-N 3.06Å; S681-L685 PolarHBondContact O-N 3.13Å
682	R	94.4	Very high	92.3	Very high	112 Å²	112	50.7 Å²	50.7	42%	0.423	28%	0.278	S	S	.	.	H	α-helix	trans	-60.9	-32.2	178.9	-176	60.9	-171.8	84.3	-3.7	113.1	A678 A679 I680 L684 I691 M762	A678-R682 WeakPolarHBondContact O-CB 3.43Å; A678-R682 PolarHBondContact O-N 3.4Å; A679-R682 PolarHBondContact O-N 3.2Å; I680-R682 PolarHBondContact O-N 2.85Å; I680-R682 VanDerWaalsContact O-N 3.17Å; R682-L684 VanDerWaalsContact C-N 3.3Å; R682-I691 HydrophobicContact CB-CD1 4.25Å; R682-M762 WeakPolarHBondContact CD-O 3.21Å; R682-M762 PolarHBondContact NE-O 3.37Å
683	C	93.8	Very high	93.1	Very high	101 Å²	101	46.2 Å²	46.2	68%	0.682	26%	0.257	S	S	*	.	H	α-helix	trans	-77.5	-14.1	176.3	-65.7	0	0	0	0	113.6	I680 S681	I680-C683 WeakPolarHBondContact O-CB 3.5Å; I680-C683 PolarHBondContact O-N 2.84Å; S681-C683 PolarHBondContact O-N 3.01Å
684	L	95.4	Very high	93.7	Very high	18 Å²	18	42 Å²	42	9%	0.094	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-0.8	-176.3	-56.7	172.3	0	0	0	113.2	L647 R649 L655 W656 I659 I680 S681 R682	L647-L684 HydrophobicContact CB-CD1 4Å; L647-L684 WeakPolarHBondContact O-CD1 3.34Å; R649-L684 HydrophobicContact CG-CD2 3.76Å; L655-L684 WeakPolarHBondContact CA-O 3.48Å; L655-L684 WeakPolarHBondContact CB-O 3.48Å; L655-L684 WeakPolarHBondContact CD2-O 3.36Å; W656-L684 PolarHBondContact N-O 3.21Å; I659-L684 HydrophobicContact CD1-CB 4.21Å; I680-L684 HydrophobicContact CG2-CD1 4.03Å; I680-L684 WeakPolarHBondContact O-CG 3.44Å; I680-L684 PolarHBondContact O-N 3.23Å; S681-L684 PolarHBondContact O-N 3.06Å; R682-L684 VanDerWaalsContact C-N 3.3Å
685	L	96.3	Very high	94.1	Very high	10 Å²	10	43.7 Å²	43.7	5%	0.052	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	143	179.3	-72.7	176.1	0	0	0	113.2	W656 I659 S681 I691 M762	W656-L685 HydrophobicContact CB-CD2 4.13Å; W656-L685 WeakPolarHBondContact O-CA 3.15Å; W656-L685 WeakPolarHBondContact O-CD2 3.25Å; I659-L685 HydrophobicContact CD1-CD2 3.88Å; I659-L685 HydrophobicContact CD1-CG 4.17Å; I659-L685 HydrophobicContact CG1-CD2 3.87Å; S681-L685 PolarHBondContact O-N 3.13Å; L685-I691 HydrophobicContact CD1-CD1 4.42Å; L685-I691 HydrophobicContact CD1-CG1 3.65Å; L685-M762 HydrophobicContact CD1-CE 4.29Å; L685-M762 HydrophobicContact CD1-SD 4.37Å
686	Q	95.1	Very high	94.6	Very high	54 Å²	54	42.3 Å²	42.3	25%	0.252	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	169.8	168.4	74.5	-176.9	-3.1	0	0	111.8	L548 L655 W656 S657 G688 G689	L548-Q686 VanDerWaalsContact CD1-NE2 3.3Å; L655-Q686 HydrophobicContact CB-CB 3.89Å; W656-Q686 WeakPolarHBondContact O-CG 3.1Å; W656-Q686 PolarHBondContact O-N 3.4Å; S657-Q686 VanDerWaalsContact CB-NE2 3.33Å; S657-Q686 PolarHBondContact OG-NE2 3.3Å; Q686-G688 PolarHBondContact O-N 2.89Å; Q686-G689 PolarHBondContact O-N 2.8Å
687	S	92.3	Very high	95	Very high	119 Å²	119	37.8 Å²	37.8	83%	0.832	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59.5	124.4	172.7	-175.6	0	0	0	0	110.9	L548 G689	L548-S687 VanDerWaalsContact CD2-O 3.32Å; L548-S687 WeakPolarHBondContact CD2-O 3.42Å; S687-G689 PolarHBondContact O-N 2.81Å
688	G	93.4	Very high	95.4	Very high	45 Å²	45	35.4 Å²	35.4	46%	0.464	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	80.8	-4.5	-175.6	0	0	0	0	0	115	Q686	Q686-G688 PolarHBondContact O-N 2.89Å
689	G	96.2	Very high	95.7	Very high	6 Å²	6	37 Å²	37	6%	0.062	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	158.9	174.9	0	0	0	0	0	112.8	S657 Q686 S687	S657-G689 CarbonylContact O-C 3.54Å; S657-G689 WeakPolarHBondContact O-CA 3.41Å; Q686-G689 PolarHBondContact O-N 2.8Å; S687-G689 PolarHBondContact O-N 2.81Å
690	K	97.9	Very high	96	Very high	64 Å²	64	35 Å²	35	28%	0.278	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.1	-173.1	-63.2	-62.6	-169.4	160.5	0	112.7	V544 S657 I658 I659 F692 Q694 M762	V544-K690 HydrophobicContact CG1-CB 4.44Å; V544-K690 HydrophobicContact CG1-CG 4.06Å; V544-K690 HydrophobicContact CG2-CB 4.11Å; V544-K690 HydrophobicContact CG2-CG 3.59Å; S657-K690 PolarHBondContact O-N 3.23Å; I658-K690 VanDerWaalsContact CA-O 3.31Å; I658-K690 WeakPolarHBondContact CA-O 3.41Å; I659-K690 PolarHBondContact N-O 3.44Å; K690-F692 HydrophobicContact CB-CE1 4.11Å; K690-Q694 HydrophobicContact CD-CG 4.5Å; K690-M762 HydrophobicContact CD-CE 4.08Å; K690-M762 HydrophobicContact CD-SD 4.41Å
691	I	97.9	Very high	96.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	137.5	161.8	-55.1	-178.5	0	0	0	107.3	I659 L661 A678 R682 L685 P693 Q694 L761 M762	I659-I691 CarbonylContact O-C 3.59Å; I659-I691 VanDerWaalsContact O-CA 3.27Å; I659-I691 WeakPolarHBondContact O-CA 3.44Å; L661-I691 HydrophobicContact CD1-CG2 3.75Å; L661-I691 HydrophobicContact CG-CG2 3.96Å; A678-I691 WeakPolarHBondContact O-CD1 3.49Å; R682-I691 HydrophobicContact CB-CD1 4.25Å; L685-I691 HydrophobicContact CD1-CD1 4.42Å; L685-I691 HydrophobicContact CD1-CG1 3.65Å; I691-P693 CarbonylContact O-C 3.59Å; I691-Q694 WeakPolarHBondContact O-CA 3.42Å; I691-Q694 WeakPolarHBondContact O-CG 3.5Å; I691-Q694 PolarHBondContact O-N 2.82Å; I691-L761 HydrophobicContact CG2-CB 4.21Å; I691-L761 HydrophobicContact CG2-CD2 4.2Å; I691-M762 HydrophobicContact CB-SD 3.8Å; I691-M762 HydrophobicContact CD1-SD 4.47Å; I691-M762 HydrophobicContact CG1-SD 3.84Å; I691-M762 PolarHBondContact N-SD 3.33Å
692	F	98.3	Very high	96.5	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.8	170.2	-72.2	-26.8	0	0	0	111.7	F537 A540 M541 V544 I658 I659 I660 L661 K690 Q694 L794	F537-F692 HydrophobicContact CD1-CD2 4.26Å; F537-F692 HydrophobicContact CE1-CB 3.88Å; F537-F692 HydrophobicContact CE1-CD2 4.25Å; F537-F692 HydrophobicContact CE1-CG 4.43Å; A540-F692 HydrophobicContact CB-CE1 4.24Å; A540-F692 HydrophobicContact CB-CE2 3.96Å; A540-F692 HydrophobicContact CB-CZ 3.68Å; M541-F692 HydrophobicContact CB-CE2 4.49Å; M541-F692 HydrophobicContact CG-CD2 4.29Å; M541-F692 HydrophobicContact CG-CE2 3.75Å; V544-F692 HydrophobicContact CG2-CE1 4.23Å; V544-F692 HydrophobicContact CG2-CZ 3.63Å; I658-F692 HydrophobicContact CD1-CE2 4.27Å; I658-F692 HydrophobicContact CG2-CD2 3.67Å; I658-F692 HydrophobicContact CG2-CE2 3.89Å; I658-F692 HydrophobicContact CG2-CG 4.42Å; I659-F692 PolarHBondContact O-N 2.99Å; I660-F692 HydrophobicContact CG1-CB 4.37Å; I660-F692 HydrophobicContact CG1-CD2 4.48Å; L661-F692 PolarHBondContact N-O 2.88Å; K690-F692 HydrophobicContact CB-CE1 4.11Å; F692-Q694 HydrophobicContact CD1-CG 4.36Å; F692-Q694 HydrophobicContact CE1-CG 4.49Å; F692-L794 HydrophobicContact CB-CD2 4.1Å; F692-L794 HydrophobicContact CD1-CB 4.26Å; F692-L794 WeakPolarHBondContact CD1-O 3.37Å; F692-L794 HydrophobicContact CE1-CB 4.45Å; F692-L794 WeakPolarHBondContact CE1-O 3.5Å; F692-L794 HydrophobicContact CG-CD2 4.39Å
693	P	97.9	Very high	96.7	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.163	C	C	.	.	S	Bend	cis	-63.9	155.9	-12.2	31.3	-36.7	0	0	0	112.1	V663 I691 V696 L761 M792 L794	V663-P693 HydrophobicContact CG2-CG 3.66Å; I691-P693 CarbonylContact O-C 3.59Å; P693-V696 HydrophobicContact CB-CG2 4.34Å; P693-V696 HydrophobicContact CG-CG2 3.7Å; P693-L761 HydrophobicContact CG-CD2 4.34Å; P693-M792 HydrophobicContact CB-CB 3.98Å; P693-M792 HydrophobicContact CB-CE 4.48Å; P693-M792 HydrophobicContact CG-CB 4.2Å; P693-M792 HydrophobicContact CG-CE 3.71Å; P693-L794 HydrophobicContact CB-CD2 4.08Å
694	Q	97.3	Very high	96.9	Very high	26 Å²	26	25.5 Å²	25.5	12%	0.121	15%	0.145	C	C	.	.	S	Bend	trans	-72.7	-39.5	176.3	-72.7	-174.7	73.4	0	0	111.2	K690 I691 F692 L761 M762 Y793 L794	K690-Q694 HydrophobicContact CD-CG 4.5Å; I691-Q694 WeakPolarHBondContact O-CA 3.42Å; I691-Q694 WeakPolarHBondContact O-CG 3.5Å; I691-Q694 PolarHBondContact O-N 2.82Å; F692-Q694 HydrophobicContact CD1-CG 4.36Å; F692-Q694 HydrophobicContact CE1-CG 4.49Å; Q694-L761 PolarHBondContact O-N 2.95Å; Q694-M762 HydrophobicContact CB-CG 3.95Å; Q694-M762 HydrophobicContact CG-CG 3.92Å; Q694-M762 PolarHBondContact O-N 3.28Å; Q694-Y793 PolarHBondContact N-O 2.91Å; Q694-L794 PolarHBondContact NE2-O 3.3Å
695	Y	96.7	Very high	96.9	Very high	38 Å²	38	24.7 Å²	24.7	15%	0.149	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	161.2	172	66.3	-87.8	0	0	0	111.2	L697 L759 Y793	Y695-L697 HydrophobicContact CD2-CD2 4.06Å; Y695-L697 HydrophobicContact CD2-CG 4.14Å; Y695-L697 HydrophobicContact CE2-CD1 4.27Å; Y695-L697 HydrophobicContact CE2-CD2 4.17Å; Y695-L697 HydrophobicContact CE2-CG 3.99Å; Y695-L759 CarbonylContact C-O 3.5Å; Y695-L759 WeakPolarHBondContact CA-O 3.39Å; Y695-L759 VanDerWaalsContact CB-O 3.27Å; Y695-L759 WeakPolarHBondContact CB-O 3.5Å; Y695-Y793 AromaticContact CD2-CD2 3.94Å; Y695-Y793 HydrophobicContact CD2-CD2 3.94Å; Y695-Y793 HydrophobicContact CD2-CG 4.19Å; Y695-Y793 HydrophobicContact CE1-CD1 4.42Å; Y695-Y793 HydrophobicContact CE1-CG 4.01Å; Y695-Y793 HydrophobicContact CE2-CD1 4.12Å; Y695-Y793 AromaticContact CE2-CD2 3.3Å; Y695-Y793 HydrophobicContact CE2-CD2 3.3Å; Y695-Y793 AromaticContact CE2-CE2 3.88Å; Y695-Y793 HydrophobicContact CE2-CE2 3.88Å; Y695-Y793 AromaticContact CE2-CG 3.43Å; Y695-Y793 HydrophobicContact CE2-CG 3.43Å; Y695-Y793 VanDerWaalsContact CE2-CG 3.43Å; Y695-Y793 VanDerWaalsContact CZ-CB 3.43Å; Y695-Y793 AromaticContact CZ-CD1 3.67Å; Y695-Y793 AromaticContact CZ-CD2 3.74Å; Y695-Y793 AromaticContact CZ-CG 3.32Å; Y695-Y793 PolarHBondContact O-N 3.38Å; Y695-Y793 WeakPolarHBondContact OH-CD1 3.46Å
696	V	96.9	Very high	96.8	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.3	179.2	-176.8	0	0	0	0	109.4	V663 P693 R758 L759 L761 Y790 H791 M792	V663-V696 HydrophobicContact CB-CG2 4.49Å; V663-V696 HydrophobicContact CG1-CG2 3.89Å; P693-V696 HydrophobicContact CB-CG2 4.34Å; P693-V696 HydrophobicContact CG-CG2 3.7Å; V696-R758 CarbonylContact O-C 3.57Å; V696-R758 WeakPolarHBondContact O-CA 3.31Å; V696-L759 HydrophobicContact CB-CB 4.43Å; V696-L759 PolarHBondContact N-O 3.19Å; V696-L759 PolarHBondContact O-N 3.14Å; V696-L761 HydrophobicContact CG2-CD1 4.38Å; V696-Y790 HydrophobicContact CG1-CD1 3.91Å; V696-Y790 HydrophobicContact CG1-CG 4.24Å; V696-H791 WeakPolarHBondContact CA-O 3.4Å; V696-M792 HydrophobicContact CG1-CG 4.17Å; V696-M792 HydrophobicContact CG2-CB 4.38Å; V696-M792 HydrophobicContact CG2-CG 4.05Å
697	L	96.8	Very high	96.6	Very high	13 Å²	13	26.9 Å²	26.9	7%	0.068	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125	171.4	-58.6	-176	0	0	0	109.1	Y695 F699 E755 R758 Y790 H791 Y793	Y695-L697 HydrophobicContact CD2-CD2 4.06Å; Y695-L697 HydrophobicContact CD2-CG 4.14Å; Y695-L697 HydrophobicContact CE2-CD1 4.27Å; Y695-L697 HydrophobicContact CE2-CD2 4.17Å; Y695-L697 HydrophobicContact CE2-CG 3.99Å; L697-F699 HydrophobicContact CB-CD2 4.37Å; L697-F699 HydrophobicContact CB-CE2 3.71Å; L697-F699 HydrophobicContact CB-CZ 4.38Å; L697-F699 HydrophobicContact CD1-CE2 4.3Å; L697-F699 HydrophobicContact CD1-CZ 4.3Å; L697-E755 HydrophobicContact CD2-CG 4.46Å; L697-R758 HydrophobicContact CD2-CB 3.67Å; L697-R758 HydrophobicContact CD2-CG 3.64Å; L697-Y790 CarbonylContact O-C 3.58Å; L697-Y790 VanDerWaalsContact O-CA 3.29Å; L697-Y790 WeakPolarHBondContact O-CA 3.35Å; L697-H791 HydrophobicContact CB-CB 4.5Å; L697-H791 PolarHBondContact N-O 3.23Å; L697-H791 PolarHBondContact O-N 3.45Å; L697-Y793 HydrophobicContact CD1-CD2 4.46Å; L697-Y793 HydrophobicContact CD1-CE2 3.66Å; L697-Y793 HydrophobicContact CG-CD2 4.33Å; L697-Y793 HydrophobicContact CG-CE2 3.93Å
698	M	97.6	Very high	96.6	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.015	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	126.2	171.6	-174	179.3	75.3	0	0	109.1	L756 L757 F788 W789 Y790 V832 V839 I841	M698-L756 HydrophobicContact CE-CB 3.32Å; M698-L756 HydrophobicContact CE-CD1 3.85Å; M698-L756 HydrophobicContact CE-CG 4.26Å; M698-L756 PolarHBondContact O-N 3.09Å; M698-L757 HydrophobicContact CB-CB 4Å; M698-L757 HydrophobicContact CE-CB 3.62Å; M698-L757 HydrophobicContact CE-CD2 4.45Å; M698-L757 PolarHBondContact N-O 2.9Å; M698-L757 PolarHBondContact O-N 3.06Å; M698-L757 HydrophobicContact SD-CB 4.44Å; M698-F788 HydrophobicContact CG-CB 4.37Å; M698-F788 HydrophobicContact CG-CD2 4.39Å; M698-F788 HydrophobicContact SD-CD2 4.25Å; M698-W789 WeakPolarHBondContact CA-O 3.42Å; M698-Y790 HydrophobicContact CB-CD1 3.86Å; M698-Y790 HydrophobicContact CB-CE1 3.92Å; M698-Y790 HydrophobicContact CG-CD1 3.99Å; M698-Y790 HydrophobicContact CG-CE1 3.68Å; M698-Y790 HydrophobicContact SD-CE1 4.01Å; M698-V832 HydrophobicContact CE-CG1 4.1Å; M698-V839 HydrophobicContact CE-CG1 3.61Å; M698-V839 HydrophobicContact SD-CG1 3.97Å; M698-V839 HydrophobicContact SD-CG2 4.35Å; M698-I841 HydrophobicContact CE-CD1 4.18Å
699	F	98.3	Very high	96.5	Very high	34 Å²	34	19.6 Å²	19.6	15%	0.149	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	147.8	175.1	-74.6	-89.3	0	0	0	110.3	L697 P753 V754 E755 F788 W789 H791	L697-F699 HydrophobicContact CB-CD2 4.37Å; L697-F699 HydrophobicContact CB-CE2 3.71Å; L697-F699 HydrophobicContact CB-CZ 4.38Å; L697-F699 HydrophobicContact CD1-CE2 4.3Å; L697-F699 HydrophobicContact CD1-CZ 4.3Å; F699-P753 HydrophobicContact CD1-CB 4.43Å; F699-V754 CarbonylContact C-O 3.6Å; F699-V754 VanDerWaalsContact CA-O 3.32Å; F699-V754 WeakPolarHBondContact CA-O 3.1Å; F699-E755 HydrophobicContact CE1-CB 4.21Å; F699-F788 WeakPolarHBondContact O-CA 3.47Å; F699-F788 WeakPolarHBondContact O-CB 3.38Å; F699-W789 HydrophobicContact CB-CD2 4.15Å; F699-W789 HydrophobicContact CB-CH2 4.39Å; F699-W789 HydrophobicContact CB-CZ2 3.83Å; F699-W789 PolarHBondContact N-O 2.96Å; F699-W789 PolarHBondContact O-N 2.6Å; F699-W789 VanDerWaalsContact O-N 3.1Å; F699-H791 AromaticContact CD2-CE1 3.98Å; F699-H791 AromaticContact CD2-CG 3.97Å; F699-H791 AromaticContact CD2-ND1 3.87Å; F699-H791 HydrophobicContact CE2-CB 4.07Å; F699-H791 AromaticContact CE2-CE1 3.63Å; F699-H791 AromaticContact CE2-CG 3.62Å; F699-H791 AromaticContact CE2-ND1 3.21Å; F699-H791 WeakPolarHBondContact CE2-ND1 3.29Å; F699-H791 AromaticContact CZ-ND1 3.85Å
700	G	97.8	Very high	96.3	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.01	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	159.6	171.8	0	0	0	0	0	113	P753 V754 P787	G700-P753 CarbonylContact O-C 3.45Å; G700-P753 WeakPolarHBondContact O-CA 3.5Å; G700-V754 PolarHBondContact N-O 3.23Å; G700-V754 PolarHBondContact O-N 3.26Å; G700-P787 CarbonylContact C-O 3.51Å; G700-P787 VanDerWaalsContact CA-O 3.23Å; G700-P787 WeakPolarHBondContact CA-O 3.4Å
701	L	98.1	Very high	95.9	Very high	30 Å²	30	20 Å²	20	16%	0.157	10%	0.095	C	C	.	.			trans	-134.7	129.3	-178	-179.7	66.4	0	0	0	109.5	V703 P749 S751 P753 I786 P787 W789	L701-V703 HydrophobicContact CB-CG1 4.44Å; L701-V703 HydrophobicContact CD2-CG1 3.82Å; L701-V703 HydrophobicContact CG-CG1 3.79Å; L701-P749 HydrophobicContact CD1-CB 4.3Å; L701-P749 HydrophobicContact CD2-CB 4.23Å; L701-S751 WeakPolarHBondContact CD1-O 3.41Å; L701-P753 HydrophobicContact CD1-CG 4.44Å; L701-I786 WeakPolarHBondContact O-CA 3.38Å; L701-P787 PolarHBondContact N-O 2.97Å; L701-P787 VanDerWaalsContact O-CD 3.26Å; L701-P787 WeakPolarHBondContact O-CD 3.12Å; L701-W789 HydrophobicContact CB-CH2 4.2Å; L701-W789 HydrophobicContact CB-CZ3 4.02Å
702	L	98.3	Very high	95.5	Very high	2 Å²	2	20 Å²	20	1%	0.01	10%	0.096	C	C	.	.			trans	-77.3	127.2	172	-58.5	-177.6	0	0	0	109.2	L750 S751 V775 I777 V783 I786 L828 L830	L702-L750 HydrophobicContact CB-CB 4.31Å; L702-L750 PolarHBondContact O-N 2.99Å; L702-S751 PolarHBondContact N-OG 3.45Å; L702-V775 HydrophobicContact CD1-CB 4.11Å; L702-V775 HydrophobicContact CD1-CG1 3.69Å; L702-V775 HydrophobicContact CG-CG1 4.03Å; L702-I777 HydrophobicContact CD1-CD1 3.54Å; L702-V783 HydrophobicContact CB-CG1 4.32Å; L702-V783 HydrophobicContact CB-CG2 4.48Å; L702-V783 HydrophobicContact CD2-CG1 4.12Å; L702-I786 HydrophobicContact CD2-CD1 3.9Å; L702-I786 HydrophobicContact CD2-CG1 3.78Å; L702-I786 HydrophobicContact CD2-CG2 4.36Å; L702-L828 HydrophobicContact CD1-CB 4.4Å; L702-L828 HydrophobicContact CD1-CD2 3.81Å; L702-L828 HydrophobicContact CD2-CD2 4.48Å; L702-L830 HydrophobicContact CD2-CD1 4.3Å; L702-L830 HydrophobicContact CD2-CD2 4.39Å
703	V	98.2	Very high	95.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	152	-179.8	-53.7	0	0	0	0	113.1	L701 C747 I748 T784 A785 P787	L701-V703 HydrophobicContact CB-CG1 4.44Å; L701-V703 HydrophobicContact CD2-CG1 3.82Å; L701-V703 HydrophobicContact CG-CG1 3.79Å; V703-C747 HydrophobicContact CB-CB 4.04Å; V703-C747 HydrophobicContact CG1-CB 4.42Å; V703-C747 HydrophobicContact CG2-CB 4.19Å; V703-I748 VanDerWaalsContact CA-O 3.32Å; V703-I748 WeakPolarHBondContact CA-O 3.4Å; V703-T784 PolarHBondContact O-N 2.66Å; V703-A785 HydrophobicContact CG2-CB 3.95Å; V703-A785 PolarHBondContact N-O 2.88Å; V703-A785 PolarHBondContact O-N 3.05Å; V703-P787 HydrophobicContact CG1-CG 4.05Å; V703-P787 VanDerWaalsContact CG2-CD 3.47Å; V703-P787 HydrophobicContact CG2-CG 3.79Å
704	E	98.2	Very high	95	Very high	69 Å²	69	20.3 Å²	20.3	32%	0.322	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	113.6	159.3	-175.8	175.1	139.3	0	0	108.4	C747 I748 L750 G781 R782	E704-C747 CarbonylContact O-C 3.46Å; E704-C747 WeakPolarHBondContact O-CA 3.49Å; E704-I748 HydrophobicContact CB-CB 4.31Å; E704-I748 PolarHBondContact N-O 3.05Å; E704-I748 PolarHBondContact O-N 2.85Å; E704-L750 HydrophobicContact CB-CD1 4.12Å; E704-L750 HydrophobicContact CB-CD2 4.39Å; E704-L750 HydrophobicContact CB-CG 4.39Å; E704-G781 VanDerWaalsContact OE2-CA 3.31Å; E704-G781 WeakPolarHBondContact OE2-CA 3.08Å; E704-R782 WeakPolarHBondContact CA-O 3.45Å; E704-R782 WeakPolarHBondContact CB-O 2.83Å; E704-R782 VanDerWaalsContact CG-O 3.3Å; E704-R782 WeakPolarHBondContact CG-O 3.01Å; E704-R782 PolarHBondContact OE2-N 3.05Å
705	S	96.4	Very high	94.8	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.014	10%	0.104	C	C	.	.			trans	-138.7	110.5	175.3	-176.1	0	0	0	0	109.8	T707 L708 P746 T784	S705-T707 VanDerWaalsContact C-N 3.32Å; S705-L708 PolarHBondContact OG-N 2.95Å; S705-P746 PolarHBondContact OG-O 3.28Å; S705-T784 PolarHBondContact N-OG1 3.11Å; S705-T784 PolarHBondContact O-OG1 3.13Å
706	Q	92.5	Very high	94.6	Very high	86 Å²	86	22 Å²	22	40%	0.402	12%	0.119	S	C	.	.	H	α-helix	trans	-70.4	-34.2	172.5	-177.6	59.6	28.4	0	0	110.9	L709 E710	Q706-L709 WeakPolarHBondContact O-CB 3.48Å; Q706-L709 PolarHBondContact O-N 2.85Å; Q706-E710 HydrophobicContact CG-CG 4.45Å; Q706-E710 WeakPolarHBondContact CG-OE1 3.47Å; Q706-E710 PolarHBondContact NE2-OE1 3.36Å; Q706-E710 WeakPolarHBondContact O-CG 3.41Å; Q706-E710 PolarHBondContact O-N 3.22Å
707	T	91.8	Very high	94.6	Very high	24 Å²	24	24.7 Å²	24.7	15%	0.147	14%	0.136	C	C	.	.	H	α-helix	trans	-55	-53.6	175.3	-58.8	0	0	0	0	111.9	R359 S705 L709 E710 E711	R359-T707 VanDerWaalsContact NH1-CG2 3.27Å; S705-T707 VanDerWaalsContact C-N 3.32Å; T707-L709 PolarHBondContact O-N 3.06Å; T707-E710 PolarHBondContact O-N 3.47Å; T707-E710 VanDerWaalsContact O-N 3.15Å; T707-E711 HydrophobicContact CG2-CG 4.26Å; T707-E711 WeakPolarHBondContact CG2-OE1 3.4Å; T707-E711 VanDerWaalsContact O-CG 3.32Å; T707-E711 WeakPolarHBondContact O-CG 3.42Å; T707-E711 PolarHBondContact O-N 2.91Å
708	L	92.8	Very high	94.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.1	-33.8	179.6	-73.4	179.7	0	0	0	112.7	S705 N712 L740 L745 A785 A813 V815	S705-L708 PolarHBondContact OG-N 2.95Å; L708-N712 VanDerWaalsContact O-CB 3.22Å; L708-N712 WeakPolarHBondContact O-CB 3.39Å; L708-N712 PolarHBondContact O-N 3.31Å; L708-N712 VanDerWaalsContact O-N 3.08Å; L708-L740 HydrophobicContact CD2-CD1 4.07Å; L708-L740 HydrophobicContact CD2-CD2 4.25Å; L708-L745 HydrophobicContact CD1-CD2 3.83Å; L708-L745 HydrophobicContact CD2-CD1 3.85Å; L708-L745 HydrophobicContact CD2-CD2 4.41Å; L708-L745 HydrophobicContact CG-CD1 3.97Å; L708-L745 HydrophobicContact CG-CD2 4.18Å; L708-A785 HydrophobicContact CD1-CB 3.52Å; L708-A813 HydrophobicContact CD1-CB 3.97Å; L708-V815 HydrophobicContact CB-CG2 4.26Å
709	L	91.7	Very high	94.4	Very high	11 Å²	11	34.9 Å²	34.9	6%	0.058	18%	0.18	C	C	.	.	H	α-helix	trans	-68.2	-43.2	177.6	-170.4	67.5	0	0	0	111.1	Q706 T707 N712 A713 Q715 P819	Q706-L709 WeakPolarHBondContact O-CB 3.48Å; Q706-L709 PolarHBondContact O-N 2.85Å; T707-L709 PolarHBondContact O-N 3.06Å; L709-N712 PolarHBondContact O-N 3.41Å; L709-A713 WeakPolarHBondContact O-CB 3.47Å; L709-A713 PolarHBondContact O-N 2.81Å; L709-Q715 PolarHBondContact O-NE2 3.18Å; L709-P819 HydrophobicContact CD1-CG 4.26Å
710	E	90.4	Very high	94.4	Very high	45 Å²	45	33.2 Å²	33.2	21%	0.21	17%	0.173	C	C	.	.	H	α-helix	trans	-71.8	-34.5	178.5	-71.3	178	-157	0	0	113.1	N158 Q706 T707 N712 Q715 R719	N158-E710 HydrophobicContact CB-CB 4.43Å; N158-E710 WeakPolarHBondContact ND2-CA 3.35Å; N158-E710 PolarHBondContact ND2-O 3.37Å; Q706-E710 HydrophobicContact CG-CG 4.45Å; Q706-E710 WeakPolarHBondContact CG-OE1 3.47Å; Q706-E710 PolarHBondContact NE2-OE1 3.36Å; Q706-E710 WeakPolarHBondContact O-CG 3.41Å; Q706-E710 PolarHBondContact O-N 3.22Å; T707-E710 PolarHBondContact O-N 3.47Å; T707-E710 VanDerWaalsContact O-N 3.15Å; E710-N712 VanDerWaalsContact C-N 3.3Å; E710-Q715 HydrophobicContact CG-CG 3.98Å; E710-R719 VanDerWaalsContact CD-CZ 3.45Å; E710-R719 IonicContact OE1-CZ 3.73Å; E710-R719 IonicContact OE1-NH1 3.68Å; E710-R719 PolarHBondContact OE1-NH1 3.44Å; E710-R719 IonicContact OE1-NH2 3.94Å; E710-R719 PolarHBondContact OE1-NH2 3.46Å; E710-R719 IonicContact OE2-CZ 3.5Å; E710-R719 IonicContact OE2-NH1 3.58Å; E710-R719 PolarHBondContact OE2-NH1 3.45Å; E710-R719 IonicContact OE2-NH2 2.61Å; E710-R719 PolarHBondContact OE2-NH2 3.2Å
711	E	89.4	Confident	94.4	Very high	32 Å²	32	35.8 Å²	35.8	15%	0.15	19%	0.186	C	C	.	.	H	α-helix	trans	-73.6	-28.2	176.8	-65	177.4	-172.2	0	0	111.6	F154 I155 R359 T707 R737	F154-E711 WeakPolarHBondContact CB-O 3.17Å; I155-E711 HydrophobicContact CD1-CB 4.33Å; I155-E711 HydrophobicContact CD1-CG 3.9Å; I155-E711 HydrophobicContact CG1-CB 4.14Å; I155-E711 HydrophobicContact CG1-CG 3.93Å; R359-E711 IonicContact NH1-OE1 2.65Å; R359-E711 PolarHBondContact NH1-OE1 2.71Å; T707-E711 HydrophobicContact CG2-CG 4.26Å; T707-E711 WeakPolarHBondContact CG2-OE1 3.4Å; T707-E711 VanDerWaalsContact O-CG 3.32Å; T707-E711 WeakPolarHBondContact O-CG 3.42Å; T707-E711 PolarHBondContact O-N 2.91Å; E711-R737 PolarHBondContact O-NH1 2.94Å; E711-R737 IonicContact OE2-CZ 3.34Å; E711-R737 IonicContact OE2-NH2 3.5Å; E711-R737 PolarHBondContact OE2-NH2 2.91Å
712	N	89.6	Confident	94.4	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.011	20%	0.201	C	C	.	.	H	α-helix	trans	-87.9	-27	-179.7	-157.4	40.7	0	0	0	113.7	F154 L708 L709 E710 Q733 V734 V815	F154-N712 WeakPolarHBondContact CD1-O 3.31Å; L708-N712 VanDerWaalsContact O-CB 3.22Å; L708-N712 WeakPolarHBondContact O-CB 3.39Å; L708-N712 PolarHBondContact O-N 3.31Å; L708-N712 VanDerWaalsContact O-N 3.08Å; L709-N712 PolarHBondContact O-N 3.41Å; E710-N712 VanDerWaalsContact C-N 3.3Å; N712-Q733 VanDerWaalsContact O-CG 3.3Å; N712-Q733 WeakPolarHBondContact O-CG 3.16Å; N712-V734 PolarHBondContact ND2-O 3.02Å; N712-V734 PolarHBondContact OD1-O 3.08Å; N712-V815 HydrophobicContact CB-CB 4.49Å; N712-V815 HydrophobicContact CB-CG1 4.13Å; N712-V815 HydrophobicContact CB-CG2 4.43Å
713	A	92.4	Very high	94.4	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.033	20%	0.201	C	C	.	.	S	Bend	trans	-151.1	139.9	-164.2	0	0	0	0	0	112.7	N158 L709 Q715 Q733	N158-A713 PolarHBondContact ND2-O 3.27Å; L709-A713 WeakPolarHBondContact O-CB 3.47Å; L709-A713 PolarHBondContact O-N 2.81Å; A713-Q715 VanDerWaalsContact CB-NE2 3.29Å; A713-Q715 PolarHBondContact O-N 2.84Å; A713-Q715 PolarHBondContact O-NE2 3.21Å; A713-Q733 VanDerWaalsContact CB-CD 3.48Å; A713-Q733 HydrophobicContact CB-CG 4.27Å
714	V	94.9	Very high	94.3	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.018	22%	0.215	C	C	.	.			trans	-73.8	124.6	171	-177.1	0	0	0	0	109.9	F154 L157 N158 G716 T720 A726 I729 N730	F154-V714 HydrophobicContact CD1-CG2 4.01Å; L157-V714 HydrophobicContact CB-CG1 4.23Å; L157-V714 HydrophobicContact CB-CG2 3.68Å; L157-V714 HydrophobicContact CD1-CG2 3.71Å; L157-V714 HydrophobicContact CG-CG2 4.36Å; N158-V714 WeakPolarHBondContact OD1-CA 3.25Å; V714-G716 PolarHBondContact O-N 3.3Å; V714-T720 HydrophobicContact CG1-CG2 4.13Å; V714-A726 HydrophobicContact CB-CB 3.92Å; V714-A726 HydrophobicContact CG1-CB 3.9Å; V714-I729 HydrophobicContact CB-CG2 4.21Å; V714-I729 HydrophobicContact CG2-CG2 3.53Å; V714-N730 PolarHBondContact N-OD1 3.05Å; V714-N730 PolarHBondContact O-ND2 2.66Å
715	Q	92.8	Very high	94.3	Very high	53 Å²	53	35.9 Å²	35.9	25%	0.248	20%	0.2	C	C	.	.			trans	-91.4	93	-172.6	-57.2	-56.3	-59.3	0	0	111.4	N158 L709 E710 A713	N158-Q715 PolarHBondContact OD1-N 3.3Å; L709-Q715 PolarHBondContact O-NE2 3.18Å; E710-Q715 HydrophobicContact CG-CG 3.98Å; A713-Q715 VanDerWaalsContact CB-NE2 3.29Å; A713-Q715 PolarHBondContact O-N 2.84Å; A713-Q715 PolarHBondContact O-NE2 3.21Å
716	G	91.9	Very high	94.3	Very high	45 Å²	45	36.1 Å²	36.1	46%	0.464	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	-160.3	177.1	0	0	0	0	0	113.5	V714	V714-G716 PolarHBondContact O-N 3.3Å
717	T	96.4	Very high	94.5	Very high	60 Å²	60	35.2 Å²	35.2	37%	0.368	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-9.1	179.5	57	0	0	0	0	113.3	T720 L721 G722	T717-T720 PolarHBondContact O-N 3.29Å; T717-T720 PolarHBondContact O-OG1 3.31Å; T717-T720 VanDerWaalsContact O-OG1 3.08Å; T717-L721 PolarHBondContact O-N 3.03Å; T717-G722 VanDerWaalsContact O-CA 3.3Å; T717-G722 WeakPolarHBondContact O-CA 3.21Å; T717-G722 PolarHBondContact O-N 3.44Å
718	E	96.3	Very high	94.6	Very high	169 Å²	169	36 Å²	36	79%	0.79	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-41.7	-177.2	-65.1	-176.1	173.6	0	0	111.1	T720 L721	E718-T720 PolarHBondContact O-N 3.42Å; E718-L721 PolarHBondContact O-N 3.46Å
719	R	94.5	Very high	94.6	Very high	60 Å²	60	36 Å²	36	23%	0.226	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-27.3	-179.7	-62.1	-171.1	169.7	-124.9	6.2	113.8	N158 T160 N163 E710 L721	N158-R719 WeakPolarHBondContact O-CD 3.4Å; N158-R719 PolarHBondContact O-NH1 3.39Å; N158-R719 WeakPolarHBondContact OD1-CD 3.42Å; T160-R719 WeakPolarHBondContact OG1-CA 3.3Å; T160-R719 WeakPolarHBondContact OG1-CG 3.43Å; N163-R719 PolarHBondContact ND2-O 3Å; E710-R719 VanDerWaalsContact CD-CZ 3.45Å; E710-R719 IonicContact OE1-CZ 3.73Å; E710-R719 IonicContact OE1-NH1 3.68Å; E710-R719 PolarHBondContact OE1-NH1 3.44Å; E710-R719 IonicContact OE1-NH2 3.94Å; E710-R719 PolarHBondContact OE1-NH2 3.46Å; E710-R719 IonicContact OE2-CZ 3.5Å; E710-R719 IonicContact OE2-NH1 3.58Å; E710-R719 PolarHBondContact OE2-NH1 3.45Å; E710-R719 IonicContact OE2-NH2 2.61Å; E710-R719 PolarHBondContact OE2-NH2 3.2Å; R719-L721 VanDerWaalsContact C-N 3.34Å
720	T	97.5	Very high	94.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	19.9	176.2	57.2	0	0	0	0	112.3	L157 I190 V714 T717 E718 G722 L723 I725	L157-T720 HydrophobicContact CB-CG2 4.34Å; L157-T720 HydrophobicContact CD2-CG2 4.14Å; I190-T720 HydrophobicContact CD1-CG2 4.38Å; V714-T720 HydrophobicContact CG1-CG2 4.13Å; T717-T720 PolarHBondContact O-N 3.29Å; T717-T720 PolarHBondContact O-OG1 3.31Å; T717-T720 VanDerWaalsContact O-OG1 3.08Å; E718-T720 PolarHBondContact O-N 3.42Å; T720-G722 VanDerWaalsContact C-N 3.29Å; T720-G722 PolarHBondContact O-N 2.97Å; T720-L723 WeakPolarHBondContact O-CB 3.46Å; T720-L723 WeakPolarHBondContact O-CG 3.38Å; T720-L723 PolarHBondContact O-N 3.46Å; T720-L723 VanDerWaalsContact O-N 3.15Å; T720-L723 PolarHBondContact OG1-O 3.14Å; T720-I725 HydrophobicContact CG2-CB 4.34Å; T720-I725 HydrophobicContact CG2-CD1 3.97Å; T720-I725 HydrophobicContact CG2-CG1 4.42Å
721	L	97.9	Very high	94.5	Very high	54 Å²	54	39.6 Å²	39.6	28%	0.283	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	40.7	176.5	-47.5	-177.1	0	0	0	113.4	T160 N163 N167 F194 T717 E718 R719	T160-L721 HydrophobicContact CG2-CD2 4.32Å; N163-L721 HydrophobicContact CB-CD1 4.47Å; N163-L721 HydrophobicContact CB-CG 4.45Å; N167-L721 HydrophobicContact CB-CD1 3.78Å; F194-L721 HydrophobicContact CE1-CB 4.14Å; F194-L721 HydrophobicContact CE1-CD1 3.91Å; F194-L721 HydrophobicContact CE1-CG 4.33Å; F194-L721 HydrophobicContact CZ-CB 4.46Å; F194-L721 HydrophobicContact CZ-CD1 3.73Å; F194-L721 HydrophobicContact CZ-CG 4.19Å; T717-L721 PolarHBondContact O-N 3.03Å; E718-L721 PolarHBondContact O-N 3.46Å; R719-L721 VanDerWaalsContact C-N 3.34Å
722	G	97.4	Very high	94.5	Very high	46 Å²	46	39.4 Å²	39.4	47%	0.474	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	9.5	178.4	0	0	0	0	0	114.7	T717 T720	T717-G722 VanDerWaalsContact O-CA 3.3Å; T717-G722 WeakPolarHBondContact O-CA 3.21Å; T717-G722 PolarHBondContact O-N 3.44Å; T720-G722 VanDerWaalsContact C-N 3.29Å; T720-G722 PolarHBondContact O-N 2.97Å
723	L	98.3	Very high	94.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.229	C	C	.	.			trans	-82.4	131.4	174.2	-65.6	168.1	0	0	0	110.8	I190 M193 F194 K197 T720 I725	I190-L723 HydrophobicContact CG1-CD1 3.77Å; M193-L723 HydrophobicContact CB-CD1 4.04Å; M193-L723 HydrophobicContact CB-CD2 3.92Å; M193-L723 HydrophobicContact CE-CB 4.4Å; M193-L723 HydrophobicContact CE-CD1 4.04Å; M193-L723 HydrophobicContact CE-CD2 4.17Å; M193-L723 HydrophobicContact CE-CG 4.45Å; M193-L723 HydrophobicContact CG-CD2 4.47Å; M193-L723 HydrophobicContact SD-CD2 3.81Å; F194-L723 HydrophobicContact CD1-CD1 3.83Å; F194-L723 HydrophobicContact CE1-CD1 3.43Å; F194-L723 VanDerWaalsContact CE1-CD1 3.43Å; F194-L723 HydrophobicContact CE1-CG 4.44Å; F194-L723 HydrophobicContact CZ-CD1 4.21Å; K197-L723 HydrophobicContact CD-CD2 4.27Å; T720-L723 WeakPolarHBondContact O-CB 3.46Å; T720-L723 WeakPolarHBondContact O-CG 3.38Å; T720-L723 PolarHBondContact O-N 3.46Å; T720-L723 VanDerWaalsContact O-N 3.15Å; T720-L723 PolarHBondContact OG1-O 3.14Å; L723-I725 VanDerWaalsContact C-N 3.34Å; L723-I725 HydrophobicContact CB-CD1 4.01Å; L723-I725 HydrophobicContact CB-CG1 3.93Å; L723-I725 HydrophobicContact CD1-CD1 4.49Å; L723-I725 PolarHBondContact O-N 3.14Å
724	N	97.9	Very high	93.8	Very high	57 Å²	57	41.1 Å²	41.1	31%	0.305	23%	0.23	S	C	.	.			trans	-79.1	81	179.9	-169.6	22.8	0	0	0	110.8	N223 P727	N223-N724 PolarHBondContact ND2-N 3.21Å; N223-N724 PolarHBondContact ND2-O 3.42Å; N223-N724 PolarHBondContact OD1-N 3.35Å; N724-P727 WeakPolarHBondContact OD1-CD 3.39Å; N724-P727 VanDerWaalsContact OD1-CG 3.24Å; N724-P727 WeakPolarHBondContact OD1-CG 3.47Å
725	I	98.1	Very high	93.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.24	C	C	.	.			trans	-109.2	-42.5	-177.6	-54.8	-177	0	0	0	111	L157 T188 I190 M193 V219 T720 L723 P727 F728 I729	L157-I725 HydrophobicContact CD1-CG2 4Å; L157-I725 HydrophobicContact CD2-CD1 4.01Å; L157-I725 HydrophobicContact CD2-CG2 4.33Å; T188-I725 HydrophobicContact CG2-CG2 3.94Å; I190-I725 HydrophobicContact CB-CD1 3.91Å; I190-I725 HydrophobicContact CD1-CD1 3.93Å; I190-I725 HydrophobicContact CG1-CD1 3.93Å; M193-I725 HydrophobicContact CE-CD1 4.09Å; M193-I725 HydrophobicContact CE-CG1 4.24Å; V219-I725 HydrophobicContact CG1-CB 4.48Å; V219-I725 HydrophobicContact CG1-CG1 3.84Å; V219-I725 HydrophobicContact CG2-CG2 4.39Å; T720-I725 HydrophobicContact CG2-CB 4.34Å; T720-I725 HydrophobicContact CG2-CD1 3.97Å; T720-I725 HydrophobicContact CG2-CG1 4.42Å; L723-I725 VanDerWaalsContact C-N 3.34Å; L723-I725 HydrophobicContact CB-CD1 4.01Å; L723-I725 HydrophobicContact CB-CG1 3.93Å; L723-I725 HydrophobicContact CD1-CD1 4.49Å; L723-I725 PolarHBondContact O-N 3.14Å; I725-P727 VanDerWaalsContact C-CD 3.48Å; I725-F728 PolarHBondContact O-N 2.94Å; I725-I729 HydrophobicContact CG2-CG2 4.27Å; I725-I729 PolarHBondContact O-N 2.82Å
726	A	96.4	Very high	93	Very high	7 Å²	7	42 Å²	42	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-49.4	-47.2	-173.4	0	0	0	0	0	113.9	V714 F728 N730	V714-A726 HydrophobicContact CB-CB 3.92Å; V714-A726 HydrophobicContact CG1-CB 3.9Å; A726-F728 PolarHBondContact O-N 3.23Å; A726-N730 WeakPolarHBondContact O-CB 3.48Å; A726-N730 PolarHBondContact O-N 3.44Å; A726-N730 PolarHBondContact O-ND2 3.17Å
727	P	95.4	Very high	92.9	Very high	68 Å²	68	41.3 Å²	41.3	44%	0.442	22%	0.221	S	C	.	.	H	α-helix	trans	-62.3	-17.1	-177.8	-24.7	37.2	0	0	0	115.7	N724 I725 Q731	N724-P727 WeakPolarHBondContact OD1-CD 3.39Å; N724-P727 VanDerWaalsContact OD1-CG 3.24Å; N724-P727 WeakPolarHBondContact OD1-CG 3.47Å; I725-P727 VanDerWaalsContact C-CD 3.48Å; P727-Q731 PolarHBondContact O-NE2 3.2Å; P727-Q731 VanDerWaalsContact O-NE2 3.08Å
728	F	94.3	Very high	92.6	Very high	40 Å²	40	40 Å²	40	18%	0.175	21%	0.213	C	C	.	.	H	α-helix	trans	-94	-57.8	-179.3	-58	-84.2	0	0	0	110.2	L215 D218 V219 A222 I725 A726 N730 Q731	L215-F728 HydrophobicContact CG-CB 4.42Å; D218-F728 HydrophobicContact CB-CD1 3.75Å; D218-F728 HydrophobicContact CB-CE1 3.95Å; V219-F728 HydrophobicContact CG2-CB 3.67Å; V219-F728 HydrophobicContact CG2-CD2 3.71Å; V219-F728 HydrophobicContact CG2-CG 3.75Å; A222-F728 HydrophobicContact CB-CE1 4.33Å; A222-F728 HydrophobicContact CB-CE2 3.48Å; A222-F728 VanDerWaalsContact CB-CE2 3.48Å; A222-F728 HydrophobicContact CB-CZ 3.28Å; I725-F728 PolarHBondContact O-N 2.94Å; A726-F728 PolarHBondContact O-N 3.23Å; F728-N730 VanDerWaalsContact C-N 3.26Å; F728-N730 PolarHBondContact O-N 2.96Å; F728-Q731 WeakPolarHBondContact O-CB 3.39Å; F728-Q731 WeakPolarHBondContact O-CG 3.34Å; F728-Q731 PolarHBondContact O-N 3.42Å; F728-Q731 VanDerWaalsContact O-N 3.12Å
729	I	93.9	Very high	92.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-28.8	-178.9	-160.3	171.3	0	0	0	112.7	V149 H153 F154 L157 T188 L215 V714 I725 Q731 F732	V149-I729 HydrophobicContact CG1-CD1 4.29Å; V149-I729 HydrophobicContact CG1-CG1 4.31Å; H153-I729 HydrophobicContact CB-CD1 3.78Å; F154-I729 HydrophobicContact CE1-CG1 3.96Å; F154-I729 HydrophobicContact CE1-CG2 4.22Å; F154-I729 WeakPolarHBondContact CE1-O 3.42Å; F154-I729 HydrophobicContact CZ-CG1 3.96Å; F154-I729 WeakPolarHBondContact CZ-O 3.26Å; L157-I729 HydrophobicContact CD1-CD1 3.56Å; L157-I729 HydrophobicContact CD1-CG2 4.17Å; T188-I729 HydrophobicContact CG2-CD1 4.01Å; L215-I729 HydrophobicContact CD1-CB 4.04Å; L215-I729 HydrophobicContact CD1-CG1 4.05Å; V714-I729 HydrophobicContact CB-CG2 4.21Å; V714-I729 HydrophobicContact CG2-CG2 3.53Å; I725-I729 HydrophobicContact CG2-CG2 4.27Å; I725-I729 PolarHBondContact O-N 2.82Å; I729-Q731 PolarHBondContact O-N 3.28Å; I729-Q731 VanDerWaalsContact O-N 3.11Å; I729-F732 PolarHBondContact O-N 3.07Å
730	N	92.7	Very high	92.2	Very high	43 Å²	43	36 Å²	36	23%	0.23	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-68.9	-6.5	176.7	-70.4	-11.4	0	0	0	113.7	V714 A726 F728 F732 Q733	V714-N730 PolarHBondContact N-OD1 3.05Å; V714-N730 PolarHBondContact O-ND2 2.66Å; A726-N730 WeakPolarHBondContact O-CB 3.48Å; A726-N730 PolarHBondContact O-N 3.44Å; A726-N730 PolarHBondContact O-ND2 3.17Å; F728-N730 VanDerWaalsContact C-N 3.26Å; F728-N730 PolarHBondContact O-N 2.96Å; N730-F732 PolarHBondContact O-N 3.03Å; N730-Q733 HydrophobicContact CB-CG 4.16Å; N730-Q733 PolarHBondContact ND2-NE2 3.05Å; N730-Q733 VanDerWaalsContact O-CG 3.22Å; N730-Q733 WeakPolarHBondContact O-CG 3.35Å; N730-Q733 PolarHBondContact OD1-NE2 2.86Å
731	Q	86.9	Confident	92	Very high	89 Å²	89	37.7 Å²	37.7	42%	0.416	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-70.4	-21	169.3	-61.8	177.2	33.2	0	0	111.6	H125 F141 P727 F728 I729	H125-Q731 PolarHBondContact CE1-OE1 3.24Å; F141-Q731 VanDerWaalsContact CE1-O 3.29Å; F141-Q731 WeakPolarHBondContact CE1-O 3.48Å; P727-Q731 PolarHBondContact O-NE2 3.2Å; P727-Q731 VanDerWaalsContact O-NE2 3.08Å; F728-Q731 WeakPolarHBondContact O-CB 3.39Å; F728-Q731 WeakPolarHBondContact O-CG 3.34Å; F728-Q731 PolarHBondContact O-N 3.42Å; F728-Q731 VanDerWaalsContact O-N 3.12Å; I729-Q731 PolarHBondContact O-N 3.28Å; I729-Q731 VanDerWaalsContact O-N 3.11Å
732	F	87.8	Confident	91.7	Very high	27 Å²	27	36.9 Å²	36.9	12%	0.118	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-99.2	16	-179.8	-60.2	-88.9	0	0	0	113.2	F141 L148 V149 R151 F154 T211 L215 I729 N730	F141-F732 HydrophobicContact CE2-CD1 4.49Å; F141-F732 HydrophobicContact CE2-CE1 4.34Å; F141-F732 AromaticContact CZ-CD1 3.75Å; F141-F732 HydrophobicContact CZ-CD1 3.75Å; F141-F732 AromaticContact CZ-CE1 3.9Å; F141-F732 HydrophobicContact CZ-CE1 3.9Å; L148-F732 HydrophobicContact CD1-CD1 4.45Å; L148-F732 HydrophobicContact CD1-CE1 4.21Å; V149-F732 HydrophobicContact CB-CB 4.29Å; V149-F732 HydrophobicContact CG2-CB 4.01Å; V149-F732 HydrophobicContact CG2-CD1 3.85Å; V149-F732 HydrophobicContact CG2-CD2 4.08Å; V149-F732 HydrophobicContact CG2-CE1 4.33Å; V149-F732 HydrophobicContact CG2-CG 3.71Å; R151-F732 PolarHBondContact NH1-O 3.4Å; R151-F732 PolarHBondContact NH2-O 2.95Å; F154-F732 HydrophobicContact CZ-CB 4.46Å; T211-F732 HydrophobicContact CG2-CE1 3.77Å; T211-F732 HydrophobicContact CG2-CZ 3.71Å; L215-F732 HydrophobicContact CD1-CD2 4.12Å; L215-F732 HydrophobicContact CD1-CE2 3.9Å; I729-F732 PolarHBondContact O-N 3.07Å; N730-F732 PolarHBondContact O-N 3.03Å
733	Q	86.4	Confident	91.5	Very high	34 Å²	34	39.3 Å²	39.3	16%	0.159	21%	0.21	C	C	.	.			trans	-63.8	151.2	173.1	-63.3	-179.7	5.3	0	0	110.6	Y142 F154 N712 A713 N730	Y142-Q733 WeakPolarHBondContact CD1-O 3.47Å; Y142-Q733 WeakPolarHBondContact CE1-O 3.47Å; F154-Q733 HydrophobicContact CE1-CG 4.12Å; N712-Q733 VanDerWaalsContact O-CG 3.3Å; N712-Q733 WeakPolarHBondContact O-CG 3.16Å; A713-Q733 VanDerWaalsContact CB-CD 3.48Å; A713-Q733 HydrophobicContact CB-CG 4.27Å; N730-Q733 HydrophobicContact CB-CG 4.16Å; N730-Q733 PolarHBondContact ND2-NE2 3.05Å; N730-Q733 VanDerWaalsContact O-CG 3.22Å; N730-Q733 WeakPolarHBondContact O-CG 3.35Å; N730-Q733 PolarHBondContact OD1-NE2 2.86Å
734	V	82.1	Confident	91.2	Very high	8 Å²	8	41 Å²	41	5%	0.048	22%	0.222	C	C	.	.			trans	-116.9	132.5	178.1	177.7	0	0	0	0	108.5	A145 N146 N712 I736	A145-V734 HydrophobicContact CB-CG2 4.06Å; N146-V734 WeakPolarHBondContact OD1-CG2 3.23Å; N712-V734 PolarHBondContact ND2-O 3.02Å; N712-V734 PolarHBondContact OD1-O 3.08Å; V734-I736 VanDerWaalsContact CG1-O 3.28Å; V734-I736 WeakPolarHBondContact CG1-O 3.5Å; V734-I736 PolarHBondContact O-N 2.96Å
735	P	82.1	Confident	91	Very high	35 Å²	35	39.4 Å²	39.4	23%	0.227	21%	0.213	C	C	.	.	S	Bend	trans	-69.5	-23.8	-176	27.6	-36.5	0	0	0	112.8	Y142 V814 V815	Y142-P735 HydrophobicContact CD2-CG 3.47Å; Y142-P735 VanDerWaalsContact CD2-CG 3.47Å; Y142-P735 HydrophobicContact CE2-CG 3.59Å; Y142-P735 HydrophobicContact CG-CG 4.02Å; P735-V814 CarbonylContact O-C 3.46Å; P735-V814 WeakPolarHBondContact O-CA 3.47Å; P735-V815 PolarHBondContact O-N 2.79Å
736	I	88.3	Confident	90.8	Very high	41 Å²	41	41.9 Å²	41.9	21%	0.21	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	117.4	-178.4	-53.3	179	0	0	0	109.4	L669 V734 V738 F788 A812 A813 V814	L669-I736 HydrophobicContact CD2-CG2 3.92Å; V734-I736 VanDerWaalsContact CG1-O 3.28Å; V734-I736 WeakPolarHBondContact CG1-O 3.5Å; V734-I736 PolarHBondContact O-N 2.96Å; I736-V738 HydrophobicContact CG2-CG1 4.31Å; I736-F788 HydrophobicContact CG2-CE1 4.01Å; I736-F788 HydrophobicContact CG2-CZ 3.91Å; I736-A812 HydrophobicContact CG2-CB 4.13Å; I736-A813 WeakPolarHBondContact CA-O 3.27Å; I736-V814 HydrophobicContact CG1-CG2 4.29Å
737	R	89.7	Confident	90.8	Very high	30 Å²	30	43.8 Å²	43.8	11%	0.113	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	130.8	169.3	-71.1	-67.7	-63.2	-126.5	-9.7	109.1	E711 L740 A812 A813 V815	E711-R737 PolarHBondContact O-NH1 2.94Å; E711-R737 IonicContact OE2-CZ 3.34Å; E711-R737 IonicContact OE2-NH2 3.5Å; E711-R737 PolarHBondContact OE2-NH2 2.91Å; R737-L740 HydrophobicContact CB-CD1 4Å; R737-L740 HydrophobicContact CB-CD2 4.34Å; R737-L740 HydrophobicContact CB-CG 4.4Å; R737-A812 CarbonylContact O-C 3.56Å; R737-A812 WeakPolarHBondContact O-CA 3.45Å; R737-A812 WeakPolarHBondContact O-CB 3.43Å; R737-A813 PolarHBondContact N-O 2.96Å; R737-A813 PolarHBondContact O-N 2.71Å; R737-V815 HydrophobicContact CB-CG2 4.37Å; R737-V815 HydrophobicContact CG-CG2 3.62Å
738	V	90.9	Very high	90.9	Very high	32 Å²	32	43.7 Å²	43.7	19%	0.194	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	173.6	-179.9	-67.9	0	0	0	0	110.3	S667 L669 I736 L740 A812	S667-V738 WeakPolarHBondContact O-CB 3.06Å; L669-V738 HydrophobicContact CD1-CG1 3.81Å; L669-V738 HydrophobicContact CD2-CG1 3.81Å; L669-V738 HydrophobicContact CG-CG1 3.67Å; I736-V738 HydrophobicContact CG2-CG1 4.31Å; V738-L740 VanDerWaalsContact C-N 3.27Å; V738-L740 PolarHBondContact O-N 3.07Å; V738-A812 HydrophobicContact CG1-CB 4.23Å
739	F	89.8	Confident	91.1	Very high	132 Å²	132	45.3 Å²	45.3	58%	0.579	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	58.3	35.9	-179.1	-60.2	-71.1	0	0	0	113.6	S667 K810 Q811	S667-F739 PolarHBondContact O-N 2.81Å; S667-F739 VanDerWaalsContact O-N 3.12Å; F739-K810 HydrophobicContact CD1-CB 4.43Å; F739-K810 HydrophobicContact CD1-CG 4.24Å; F739-Q811 PolarHBondContact N-O 3.35Å
740	L	92.4	Very high	91.3	Very high	14 Å²	14	45.3 Å²	45.3	7%	0.073	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	140.8	178.5	-56.8	178.9	0	0	0	111.5	L708 R737 V738 L742 Q811 A813	L708-L740 HydrophobicContact CD2-CD1 4.07Å; L708-L740 HydrophobicContact CD2-CD2 4.25Å; R737-L740 HydrophobicContact CB-CD1 4Å; R737-L740 HydrophobicContact CB-CD2 4.34Å; R737-L740 HydrophobicContact CB-CG 4.4Å; V738-L740 VanDerWaalsContact C-N 3.27Å; V738-L740 PolarHBondContact O-N 3.07Å; L740-L742 HydrophobicContact CB-CD2 4.25Å; L740-L742 HydrophobicContact CD1-CD2 4.45Å; L740-Q811 WeakPolarHBondContact CB-O 3.38Å; L740-Q811 PolarHBondContact N-O 2.78Å; L740-Q811 PolarHBondContact O-N 3.21Å; L740-Q811 PolarHBondContact O-OE1 3.38Å; L740-A813 HydrophobicContact CD1-CB 3.55Å
741	D	92.9	Very high	91.6	Very high	34 Å²	34	43.7 Å²	43.7	18%	0.182	24%	0.243	C	C	.	.			trans	-97.4	99.2	161.7	-70	-66.3	0	0	0	109.6	P361 S743 S744 L745 K810	P361-D741 HydrophobicContact CG-CB 4.01Å; D741-S743 PolarHBondContact O-N 2.87Å; D741-S744 PolarHBondContact O-N 3.39Å; D741-S744 PolarHBondContact O-OG 3.04Å; D741-L745 PolarHBondContact O-N 3.27Å; D741-L745 VanDerWaalsContact O-N 3.15Å; D741-K810 VanDerWaalsContact OD1-CD 3.26Å; D741-K810 WeakPolarHBondContact OD1-CD 3.27Å; D741-K810 IonicContact OD1-NZ 2.91Å; D741-K810 PolarHBondContact OD1-NZ 2.69Å; D741-K810 IonicContact OD2-NZ 3.84Å; D741-K810 PolarHBondContact OD2-NZ 3.07Å
742	L	92.8	Very high	92.1	Very high	37 Å²	37	47 Å²	47	19%	0.194	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.3	-177.3	-61.1	-176.3	0	0	0	113	L740 S744 L745 P787 W789 Q811	L740-L742 HydrophobicContact CB-CD2 4.25Å; L740-L742 HydrophobicContact CD1-CD2 4.45Å; L742-S744 PolarHBondContact O-N 2.98Å; L742-L745 HydrophobicContact CD2-CD2 3.89Å; L742-L745 PolarHBondContact O-N 2.79Å; L742-P787 HydrophobicContact CD1-CB 3.85Å; L742-P787 HydrophobicContact CD2-CB 3.75Å; L742-P787 HydrophobicContact CD2-CG 4.29Å; L742-P787 HydrophobicContact CG-CB 4.46Å; L742-W789 HydrophobicContact CD1-CE3 3.9Å; L742-W789 HydrophobicContact CD1-CZ3 4.44Å; L742-Q811 HydrophobicContact CD1-CB 3.71Å; L742-Q811 HydrophobicContact CD1-CG 3.85Å; L742-Q811 HydrophobicContact CD2-CB 4.28Å; L742-Q811 HydrophobicContact CG-CB 3.61Å; L742-Q811 HydrophobicContact CG-CG 3.91Å
743	S	92.5	Very high	92.6	Very high	98 Å²	98	49.3 Å²	49.3	69%	0.685	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.8	179.3	62.5	0	0	0	0	113	D741	D741-S743 PolarHBondContact O-N 2.87Å
744	S	92.4	Very high	93.1	Very high	35 Å²	35	49.2 Å²	49.2	25%	0.245	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-2.1	179.4	65.5	0	0	0	0	113.9	R359 D741 L742 P746	R359-S744 WeakPolarHBondContact O-CB 3.39Å; R359-S744 PolarHBondContact O-OG 2.87Å; D741-S744 PolarHBondContact O-N 3.39Å; D741-S744 PolarHBondContact O-OG 3.04Å; L742-S744 PolarHBondContact O-N 2.98Å; S744-P746 VanDerWaalsContact O-CD 3.25Å; S744-P746 WeakPolarHBondContact O-CD 3.32Å
745	L	93.1	Very high	93.9	Very high	23 Å²	23	51.6 Å²	51.6	12%	0.12	29%	0.286	C	S	.	.			trans	-64.1	119.8	178.2	-178.6	69.1	0	0	0	111.4	L708 D741 L742 C747 P787	L708-L745 HydrophobicContact CD1-CD2 3.83Å; L708-L745 HydrophobicContact CD2-CD1 3.85Å; L708-L745 HydrophobicContact CD2-CD2 4.41Å; L708-L745 HydrophobicContact CG-CD1 3.97Å; L708-L745 HydrophobicContact CG-CD2 4.18Å; D741-L745 PolarHBondContact O-N 3.27Å; D741-L745 VanDerWaalsContact O-N 3.15Å; L742-L745 HydrophobicContact CD2-CD2 3.89Å; L742-L745 PolarHBondContact O-N 2.79Å; L745-C747 HydrophobicContact CD2-CB 4.47Å; L745-C747 HydrophobicContact CG-CB 4.48Å; L745-C747 PolarHBondContact O-N 2.84Å; L745-P787 HydrophobicContact CD2-CG 4.39Å
746	P	93.8	Very high	94.5	Very high	53 Å²	53	49.9 Å²	49.9	34%	0.344	28%	0.275	S	S	.	.			trans	-67.8	105.6	174.4	-18.1	32.2	0	0	0	110.6	S705 S744	S705-P746 PolarHBondContact OG-O 3.28Å; S744-P746 VanDerWaalsContact O-CD 3.25Å; S744-P746 WeakPolarHBondContact O-CD 3.32Å
747	C	96.5	Very high	94.8	Very high	47 Å²	47	48.1 Å²	48.1	32%	0.318	27%	0.266	S	S	.	.			trans	-154.8	159.3	178.3	68.1	0	0	0	0	112.1	V703 E704 L745	V703-C747 HydrophobicContact CB-CB 4.04Å; V703-C747 HydrophobicContact CG1-CB 4.42Å; V703-C747 HydrophobicContact CG2-CB 4.19Å; E704-C747 CarbonylContact O-C 3.46Å; E704-C747 WeakPolarHBondContact O-CA 3.49Å; L745-C747 HydrophobicContact CD2-CB 4.47Å; L745-C747 HydrophobicContact CG-CB 4.48Å; L745-C747 PolarHBondContact O-N 2.84Å
748	I	97.9	Very high	95	Very high	66 Å²	66	51.7 Å²	51.7	34%	0.338	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.1	174.4	-58.5	174.2	0	0	0	107.7	V703 E704 L750 K779	V703-I748 VanDerWaalsContact CA-O 3.32Å; V703-I748 WeakPolarHBondContact CA-O 3.4Å; E704-I748 HydrophobicContact CB-CB 4.31Å; E704-I748 PolarHBondContact N-O 3.05Å; E704-I748 PolarHBondContact O-N 2.85Å; I748-L750 HydrophobicContact CG2-CD2 4.31Å; I748-L750 PolarHBondContact O-N 3.22Å; I748-K779 HydrophobicContact CG2-CD 3.91Å; I748-K779 VanDerWaalsContact CG2-NZ 3.27Å
749	P	98	Very high	95.1	Very high	73 Å²	73	50.4 Å²	50.4	47%	0.474	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	129.7	175.2	27.8	-33.5	0	0	0	110.5	L701	L701-P749 HydrophobicContact CD1-CB 4.3Å; L701-P749 HydrophobicContact CD2-CB 4.23Å
750	L	98.4	Very high	95.4	Very high	1 Å²	1	45 Å²	45	1%	0.005	25%	0.249	C	C	.	.			trans	-105.8	-17.1	178.1	-56.7	-179.4	0	0	0	112.3	L702 E704 I748 C778 K779 V783 V822	L702-L750 HydrophobicContact CB-CB 4.31Å; L702-L750 PolarHBondContact O-N 2.99Å; E704-L750 HydrophobicContact CB-CD1 4.12Å; E704-L750 HydrophobicContact CB-CD2 4.39Å; E704-L750 HydrophobicContact CB-CG 4.39Å; I748-L750 HydrophobicContact CG2-CD2 4.31Å; I748-L750 PolarHBondContact O-N 3.22Å; L750-C778 PolarHBondContact O-N 3.04Å; L750-K779 HydrophobicContact CD2-CB 4.31Å; L750-K779 PolarHBondContact O-N 3.04Å; L750-V783 HydrophobicContact CD1-CB 4.38Å; L750-V783 HydrophobicContact CD1-CG2 3.77Å; L750-V822 HydrophobicContact CD1-CG2 4.1Å
751	S	98.3	Very high	95.5	Very high	9 Å²	9	44.4 Å²	44.4	6%	0.063	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-130.2	177.5	174.8	75.4	0	0	0	0	111.8	L701 L702	L701-S751 WeakPolarHBondContact CD1-O 3.41Å; L702-S751 PolarHBondContact N-OG 3.45Å
752	K	98.1	Very high	95.6	Very high	159 Å²	159	44 Å²	44	69%	0.691	24%	0.243	S	C	*	.			trans	-82.2	160.2	157.5	-67.9	-178.1	-179.2	-179.2	0	109.7	V754	K752-V754 PolarHBondContact O-N 3.29Å
753	P	98.1	Very high	95.6	Very high	75 Å²	75	43.8 Å²	43.8	49%	0.487	24%	0.243	S	C	.	.			trans	-55.9	138.1	168.4	-24.2	34.4	0	0	0	111	F699 G700 L701 W789	F699-P753 HydrophobicContact CD1-CB 4.43Å; G700-P753 CarbonylContact O-C 3.45Å; G700-P753 WeakPolarHBondContact O-CA 3.5Å; L701-P753 HydrophobicContact CD1-CG 4.44Å; P753-W789 HydrophobicContact CB-CH2 3.82Å; P753-W789 HydrophobicContact CB-CZ2 3.87Å; P753-W789 HydrophobicContact CG-CH2 3.9Å; P753-W789 HydrophobicContact CG-CZ2 4.08Å
754	V	97.8	Very high	95.1	Very high	31 Å²	31	40.3 Å²	40.3	19%	0.188	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142.8	179.6	67.6	0	0	0	0	110.1	F699 G700 K752 L756 V773 V775	F699-V754 CarbonylContact C-O 3.6Å; F699-V754 VanDerWaalsContact CA-O 3.32Å; F699-V754 WeakPolarHBondContact CA-O 3.1Å; G700-V754 PolarHBondContact N-O 3.23Å; G700-V754 PolarHBondContact O-N 3.26Å; K752-V754 PolarHBondContact O-N 3.29Å; V754-L756 HydrophobicContact CG1-CD2 3.84Å; V754-L756 HydrophobicContact CG1-CG 4.46Å; V754-L756 PolarHBondContact O-N 3.35Å; V754-V773 HydrophobicContact CB-CG1 4.49Å; V754-V773 HydrophobicContact CG1-CG1 4.21Å; V754-V773 HydrophobicContact CG2-CG1 3.47Å; V754-V773 VanDerWaalsContact CG2-CG1 3.47Å; V754-V775 HydrophobicContact CG1-CG1 4.4Å; V754-V775 HydrophobicContact CG1-CG2 3.89Å
755	E	97.4	Very high	94.4	Very high	58 Å²	58	47.7 Å²	47.7	27%	0.271	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	117.7	173.9	-173.6	-165.1	119.9	0	0	109.8	L697 F699 R771	L697-E755 HydrophobicContact CD2-CG 4.46Å; F699-E755 HydrophobicContact CE1-CB 4.21Å; E755-R771 IonicContact OE1-CZ 3.21Å; E755-R771 VanDerWaalsContact OE1-CZ 3.31Å; E755-R771 IonicContact OE1-NH1 3.89Å; E755-R771 PolarHBondContact OE1-NH1 2.94Å; E755-R771 IonicContact OE1-NH2 3.49Å; E755-R771 PolarHBondContact OE1-NH2 3.44Å
756	L	95.8	Very high	93.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-43.4	-177.6	-66.8	-177.3	0	0	0	112.4	M698 V754 R771 V773 L830 V832 I841	M698-L756 HydrophobicContact CE-CB 3.32Å; M698-L756 HydrophobicContact CE-CD1 3.85Å; M698-L756 HydrophobicContact CE-CG 4.26Å; M698-L756 PolarHBondContact O-N 3.09Å; V754-L756 HydrophobicContact CG1-CD2 3.84Å; V754-L756 HydrophobicContact CG1-CG 4.46Å; V754-L756 PolarHBondContact O-N 3.35Å; L756-R771 WeakPolarHBondContact O-CD 3.21Å; L756-V773 HydrophobicContact CD2-CG1 4.37Å; L756-L830 HydrophobicContact CD2-CD1 3.71Å; L756-V832 HydrophobicContact CB-CG2 4.16Å; L756-V832 HydrophobicContact CD2-CG2 4.1Å; L756-I841 HydrophobicContact CD1-CD1 3.63Å
757	L	94.2	Very high	93.4	Very high	4 Å²	4	51 Å²	51	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	147.9	-174.8	-175.9	64.1	0	0	0	110.1	M698 L759 V832 H834 V839	M698-L757 HydrophobicContact CB-CB 4Å; M698-L757 HydrophobicContact CE-CB 3.62Å; M698-L757 HydrophobicContact CE-CD2 4.45Å; M698-L757 PolarHBondContact N-O 2.9Å; M698-L757 PolarHBondContact O-N 3.06Å; M698-L757 HydrophobicContact SD-CB 4.44Å; L757-L759 HydrophobicContact CD2-CD2 3.95Å; L757-L759 HydrophobicContact CD2-CG 4.23Å; L757-L759 HydrophobicContact CG-CD2 4.12Å; L757-L759 HydrophobicContact CG-CG 4.35Å; L757-V832 HydrophobicContact CB-CG1 4.41Å; L757-H834 HydrophobicContact CD1-CB 4.06Å; L757-H834 HydrophobicContact CD2-CB 3.96Å; L757-V839 HydrophobicContact CD2-CG2 3.85Å
758	R	94.1	Very high	92.7	Very high	104 Å²	104	52.2 Å²	52.2	39%	0.392	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.7	169.2	172.1	172.5	172.5	150.9	0.2	108.5	V696 L697 D760 N767	V696-R758 CarbonylContact O-C 3.57Å; V696-R758 WeakPolarHBondContact O-CA 3.31Å; L697-R758 HydrophobicContact CD2-CB 3.67Å; L697-R758 HydrophobicContact CD2-CG 3.64Å; R758-D760 IonicContact CZ-OD2 3.17Å; R758-D760 IonicContact NE-OD2 2.62Å; R758-D760 IonicContact NH2-OD2 2.74Å; R758-D760 PolarHBondContact NH2-OD2 3.19Å; R758-N767 PolarHBondContact O-OD1 3.13Å
759	L	93.6	Very high	92	Very high	5 Å²	5	53 Å²	53	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	113.2	173.3	-60.1	179.7	0	0	0	108.9	I670 M675 Y695 V696 L757 L761 N767	I670-L759 HydrophobicContact CD1-CD1 3.81Å; I670-L759 HydrophobicContact CG1-CD1 4.32Å; I670-L759 HydrophobicContact CG2-CD1 4.36Å; M675-L759 HydrophobicContact SD-CD2 4.38Å; Y695-L759 CarbonylContact C-O 3.5Å; Y695-L759 WeakPolarHBondContact CA-O 3.39Å; Y695-L759 VanDerWaalsContact CB-O 3.27Å; Y695-L759 WeakPolarHBondContact CB-O 3.5Å; V696-L759 HydrophobicContact CB-CB 4.43Å; V696-L759 PolarHBondContact N-O 3.19Å; V696-L759 PolarHBondContact O-N 3.14Å; L757-L759 HydrophobicContact CD2-CD2 3.95Å; L757-L759 HydrophobicContact CD2-CG 4.23Å; L757-L759 HydrophobicContact CG-CD2 4.12Å; L757-L759 HydrophobicContact CG-CG 4.35Å; L759-L761 HydrophobicContact CB-CD1 4.32Å; L759-N767 WeakPolarHBondContact CA-OD1 3.07Å
760	D	94.8	Very high	91.5	Very high	20 Å²	20	55.2 Å²	55.2	11%	0.107	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	110.5	176.7	-157.7	-65.9	0	0	0	109.6	R758 M762 T763 P764 N767	R758-D760 IonicContact CZ-OD2 3.17Å; R758-D760 IonicContact NE-OD2 2.62Å; R758-D760 IonicContact NH2-OD2 2.74Å; R758-D760 PolarHBondContact NH2-OD2 3.19Å; D760-M762 PolarHBondContact OD1-N 3.09Å; D760-T763 CarbonylContact O-C 3.57Å; D760-T763 PolarHBondContact OD1-N 3.08Å; D760-T763 PolarHBondContact OD1-OG1 3.37Å; D760-P764 WeakPolarHBondContact O-CA 3.28Å; D760-N767 PolarHBondContact N-OD1 2.85Å; D760-N767 PolarHBondContact O-ND2 3.32Å
761	L	94.8	Very high	91.2	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.29	C	S	.	.	S	Bend	trans	-83.3	-27.1	-177.1	-80.5	69	0	0	0	111.1	L661 V663 A678 I691 P693 Q694 V696 L759 P764	L661-L761 HydrophobicContact CD1-CD2 4.25Å; V663-L761 HydrophobicContact CG2-CD2 3.67Å; A678-L761 HydrophobicContact CB-CB 4.09Å; A678-L761 HydrophobicContact CB-CD2 4.47Å; A678-L761 HydrophobicContact CB-CG 3.97Å; I691-L761 HydrophobicContact CG2-CB 4.21Å; I691-L761 HydrophobicContact CG2-CD2 4.2Å; P693-L761 HydrophobicContact CG-CD2 4.34Å; Q694-L761 PolarHBondContact O-N 2.95Å; V696-L761 HydrophobicContact CG2-CD1 4.38Å; L759-L761 HydrophobicContact CB-CD1 4.32Å; L761-P764 WeakPolarHBondContact O-CD 3.37Å; L761-P764 WeakPolarHBondContact O-CG 3.5Å
762	M	95.3	Very high	91	Very high	26 Å²	26	63.4 Å²	63.4	13%	0.128	31%	0.31	C	S	.	.	S	Bend	trans	-74.1	-27.9	175.4	-72.9	-60.5	-60.2	0	0	112.8	R682 L685 K690 I691 Q694 D760	R682-M762 WeakPolarHBondContact CD-O 3.21Å; R682-M762 PolarHBondContact NE-O 3.37Å; L685-M762 HydrophobicContact CD1-CE 4.29Å; L685-M762 HydrophobicContact CD1-SD 4.37Å; K690-M762 HydrophobicContact CD-CE 4.08Å; K690-M762 HydrophobicContact CD-SD 4.41Å; I691-M762 HydrophobicContact CB-SD 3.8Å; I691-M762 HydrophobicContact CD1-SD 4.47Å; I691-M762 HydrophobicContact CG1-SD 3.84Å; I691-M762 PolarHBondContact N-SD 3.33Å; Q694-M762 HydrophobicContact CB-CG 3.95Å; Q694-M762 HydrophobicContact CG-CG 3.92Å; Q694-M762 PolarHBondContact O-N 3.28Å; D760-M762 PolarHBondContact OD1-N 3.09Å
763	T	91.9	Very high	90.9	Very high	33 Å²	33	56.2 Å²	56.2	20%	0.202	28%	0.279	C	S	.	.	S	Bend	trans	-131.7	70.1	177.8	49.2	0	0	0	0	112.6	D760 Y765 L766	D760-T763 CarbonylContact O-C 3.57Å; D760-T763 PolarHBondContact OD1-N 3.08Å; D760-T763 PolarHBondContact OD1-OG1 3.37Å; T763-Y765 HydrophobicContact CG2-CE1 4.46Å; T763-Y765 PolarHBondContact O-N 3.15Å; T763-L766 HydrophobicContact CG2-CD1 4.37Å; T763-L766 PolarHBondContact O-N 2.6Å; T763-L766 WeakPolarHBondContact OG1-CD1 3.4Å
764	P	81.9	Confident	90.9	Very high	25 Å²	25	59.1 Å²	59.1	16%	0.162	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-55.1	-30.2	-172.1	-30.2	38	0	0	0	115.6	M675 A678 A679 D760 L761 L766 N767	M675-P764 HydrophobicContact CE-CB 3.87Å; A678-P764 HydrophobicContact CB-CG 4.36Å; A679-P764 HydrophobicContact CB-CB 4.49Å; A679-P764 HydrophobicContact CB-CG 4.37Å; D760-P764 WeakPolarHBondContact O-CA 3.28Å; L761-P764 WeakPolarHBondContact O-CD 3.37Å; L761-P764 WeakPolarHBondContact O-CG 3.5Å; P764-L766 VanDerWaalsContact C-N 3.27Å; P764-L766 PolarHBondContact O-N 2.71Å; P764-N767 WeakPolarHBondContact CA-ND2 3.19Å; P764-N767 PolarHBondContact O-N 3.07Å; P764-N767 PolarHBondContact O-ND2 2.72Å
765	Y	79	Confident	90.8	Very high	189 Å²	189	57.9 Å²	57.9	74%	0.741	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-74.4	-9.5	-179.6	54.1	-94.8	0	0	0	114.6	T763	T763-Y765 HydrophobicContact CG2-CE1 4.46Å; T763-Y765 PolarHBondContact O-N 3.15Å
766	L	79.6	Confident	90.8	Very high	114 Å²	114	60.3 Å²	60.3	60%	0.597	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-88.2	-5.4	175.2	-64.5	-176.4	0	0	0	113	T763 P764 T768	T763-L766 HydrophobicContact CG2-CD1 4.37Å; T763-L766 PolarHBondContact O-N 2.6Å; T763-L766 WeakPolarHBondContact OG1-CD1 3.4Å; P764-L766 VanDerWaalsContact C-N 3.27Å; P764-L766 PolarHBondContact O-N 2.71Å; L766-T768 PolarHBondContact O-N 3.49Å
767	N	85.6	Confident	90.9	Very high	31 Å²	31	60.3 Å²	60.3	17%	0.166	29%	0.288	C	S	.	.			trans	-71.7	125.8	-177.1	-68.2	-54	0	0	0	111.7	M675 R758 L759 D760 P764	M675-N767 WeakPolarHBondContact CE-ND2 3.27Å; R758-N767 PolarHBondContact O-OD1 3.13Å; L759-N767 WeakPolarHBondContact CA-OD1 3.07Å; D760-N767 PolarHBondContact N-OD1 2.85Å; D760-N767 PolarHBondContact O-ND2 3.32Å; P764-N767 WeakPolarHBondContact CA-ND2 3.19Å; P764-N767 PolarHBondContact O-N 3.07Å; P764-N767 PolarHBondContact O-ND2 2.72Å
768	T	82.1	Confident	91.1	Very high	73 Å²	73	62.8 Å²	62.8	45%	0.448	31%	0.305	S	S	.	.			trans	-80.8	127.8	177	55	0	0	0	0	110.4	L766 K770	L766-T768 PolarHBondContact O-N 3.49Å; T768-K770 VanDerWaalsContact C-N 3.3Å; T768-K770 PolarHBondContact O-N 3.03Å
769	S	82.4	Confident	91.3	Very high	82 Å²	82	62.8 Å²	62.8	57%	0.573	31%	0.308	S	S	*	.	S	Bend	trans	-76.5	-16	174.3	-44.6	0	0	0	0	113.5	Q833 H834	S769-Q833 CarbonylContact O-C 3.57Å; S769-Q833 WeakPolarHBondContact O-CA 3.48Å; S769-H834 WeakPolarHBondContact CA-O 3.42Å; S769-H834 PolarHBondContact O-N 3.35Å
770	K	88.3	Confident	91.5	Very high	121 Å²	121	65 Å²	65	53%	0.526	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	137	179.7	-176.7	168.2	-178.2	170	0	111.2	T768 V832 Q833	T768-K770 VanDerWaalsContact C-N 3.3Å; T768-K770 PolarHBondContact O-N 3.03Å; K770-V832 CarbonylContact C-O 3.59Å; K770-V832 WeakPolarHBondContact CA-O 3.44Å; K770-Q833 HydrophobicContact CD-CG 4.25Å; K770-Q833 HydrophobicContact CG-CG 4.09Å
771	R	91.8	Very high	91.6	Very high	78 Å²	78	64.4 Å²	64.4	29%	0.294	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	138.9	178	-174.7	177.5	176.6	174.3	2.1	110.6	E755 L756 V773 V832	E755-R771 IonicContact OE1-CZ 3.21Å; E755-R771 VanDerWaalsContact OE1-CZ 3.31Å; E755-R771 IonicContact OE1-NH1 3.89Å; E755-R771 PolarHBondContact OE1-NH1 2.94Å; E755-R771 IonicContact OE1-NH2 3.49Å; E755-R771 PolarHBondContact OE1-NH2 3.44Å; L756-R771 WeakPolarHBondContact O-CD 3.21Å; R771-V773 HydrophobicContact CG-CG2 3.89Å; R771-V832 PolarHBondContact N-O 3.07Å; R771-V832 PolarHBondContact O-N 3.4Å
772	E	94.7	Very high	91.7	Very high	104 Å²	104	69.2 Å²	69.2	49%	0.486	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129	167.2	-64.7	-171.3	177.6	0	0	108.9	V829 L830 K844	E772-V829 HydrophobicContact CB-CG1 4.27Å; E772-L830 CarbonylContact C-O 3.53Å; E772-L830 WeakPolarHBondContact CA-O 3.49Å; E772-K844 VanDerWaalsContact CD-NZ 3.33Å; E772-K844 IonicContact OE1-NZ 3.48Å; E772-K844 PolarHBondContact OE1-NZ 2.98Å; E772-K844 IonicContact OE2-NZ 2.68Å; E772-K844 PolarHBondContact OE2-NZ 2.94Å
773	V	96.3	Very high	91.8	Very high	8 Å²	8	68 Å²	68	5%	0.048	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.1	-176.6	-176.5	0	0	0	0	108.4	V754 L756 R771 V775 L830 V832	V754-V773 HydrophobicContact CB-CG1 4.49Å; V754-V773 HydrophobicContact CG1-CG1 4.21Å; V754-V773 HydrophobicContact CG2-CG1 3.47Å; V754-V773 VanDerWaalsContact CG2-CG1 3.47Å; L756-V773 HydrophobicContact CD2-CG1 4.37Å; R771-V773 HydrophobicContact CG-CG2 3.89Å; V773-V775 HydrophobicContact CG1-CG2 4.24Å; V773-L830 HydrophobicContact CB-CB 4.4Å; V773-L830 PolarHBondContact N-O 2.79Å; V773-L830 PolarHBondContact O-N 3.02Å; V773-V832 HydrophobicContact CG2-CG2 4.14Å
774	K	96.7	Very high	92	Very high	136 Å²	136	66.5 Å²	66.5	59%	0.591	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	129.5	176.4	-59.7	-173.3	167.7	-156.3	0	110	E827 V829	K774-E827 HydrophobicContact CB-CG 4.06Å; K774-E827 WeakPolarHBondContact CB-OE1 3.37Å; K774-E827 WeakPolarHBondContact CD-OE1 3.48Å; K774-E827 IonicContact NZ-OE2 3.25Å; K774-V829 HydrophobicContact CG-CG2 4.35Å
775	V	97.5	Very high	92.7	Very high	4 Å²	4	65.3 Å²	65.3	2%	0.024	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.4	-173.7	-168.1	0	0	0	0	109.5	L702 V754 V773 E827 L828 L830	L702-V775 HydrophobicContact CD1-CB 4.11Å; L702-V775 HydrophobicContact CD1-CG1 3.69Å; L702-V775 HydrophobicContact CG-CG1 4.03Å; V754-V775 HydrophobicContact CG1-CG1 4.4Å; V754-V775 HydrophobicContact CG1-CG2 3.89Å; V773-V775 HydrophobicContact CG1-CG2 4.24Å; V775-E827 WeakPolarHBondContact O-CA 3.29Å; V775-L828 PolarHBondContact N-O 3.2Å; V775-L828 PolarHBondContact O-N 3.38Å; V775-L830 HydrophobicContact CG2-CD1 3.75Å; V775-L830 HydrophobicContact CG2-CG 3.9Å
776	H	97.3	Very high	93.6	Very high	110 Å²	110	56.3 Å²	56.3	51%	0.509	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.5	178.4	-172.6	64.9	0	0	0	111.4	C778 G825 E826	H776-C778 PolarHBondContact O-N 3.15Å; H776-G825 PolarHBondContact CE1-O 2.79Å; H776-E826 PolarHBondContact ND1-O 3.48Å
777	I	98.1	Very high	94.5	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-81.1	115.2	178.9	-54.8	-56.6	0	0	0	109.6	L702 K779 V822 E823 G825 E826 L828	L702-I777 HydrophobicContact CD1-CD1 3.54Å; I777-K779 WeakPolarHBondContact CG2-O 3.44Å; I777-V822 HydrophobicContact CD1-CB 4.26Å; I777-V822 HydrophobicContact CD1-CG1 4.29Å; I777-V822 HydrophobicContact CD1-CG2 4.23Å; I777-V822 HydrophobicContact CG1-CB 4.11Å; I777-V822 HydrophobicContact CG1-CG1 4.45Å; I777-V822 HydrophobicContact CG1-CG2 4.41Å; I777-V822 HydrophobicContact CG2-CB 4.14Å; I777-V822 HydrophobicContact CG2-CG2 3.83Å; I777-E823 WeakPolarHBondContact CB-O 3.42Å; I777-E823 VanDerWaalsContact CG2-O 3.3Å; I777-E823 WeakPolarHBondContact CG2-O 3.47Å; I777-G825 PolarHBondContact O-N 3.32Å; I777-E826 HydrophobicContact CB-CB 4.39Å; I777-E826 HydrophobicContact CG1-CB 4.07Å; I777-E826 PolarHBondContact N-O 3.36Å; I777-L828 HydrophobicContact CD1-CB 4.24Å
778	C	97.6	Very high	95.1	Very high	55 Å²	55	49.8 Å²	49.8	37%	0.372	25%	0.247	S	C	.	.	S	Bend	trans	-90.3	-18.2	-178.2	-60.5	0	0	0	0	112.6	L750 H776	L750-C778 PolarHBondContact O-N 3.04Å; H776-C778 PolarHBondContact O-N 3.15Å
779	K	98	Very high	95.9	Very high	105 Å²	105	47.5 Å²	47.5	46%	0.457	23%	0.231	S	C	.	.	S	Bend	trans	-150	133.6	-179.2	-171.5	179.9	178	-176.3	0	110	I748 L750 I777	I748-K779 HydrophobicContact CG2-CD 3.91Å; I748-K779 VanDerWaalsContact CG2-NZ 3.27Å; L750-K779 HydrophobicContact CD2-CB 4.31Å; L750-K779 PolarHBondContact O-N 3.04Å; I777-K779 WeakPolarHBondContact CG2-O 3.44Å
780	S	98.3	Very high	96.6	Very high	50 Å²	50	43.8 Å²	43.8	35%	0.35	20%	0.204	S	C	.	.			trans	-64	143.5	172.5	-55.1	0	0	0	0	110.7	V822 E823 M824	S780-V822 WeakPolarHBondContact CA-O 3.35Å; S780-E823 WeakPolarHBondContact CB-OE2 3.41Å; S780-E823 WeakPolarHBondContact OG-CA 3.4Å; S780-E823 PolarHBondContact OG-OE2 3.47Å; S780-M824 PolarHBondContact OG-N 3.1Å
781	G	97.1	Very high	97.1	Very high	8 Å²	8	39.2 Å²	39.2	8%	0.082	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.6	-164.3	-177.8	0	0	0	0	0	111.6	E704 Q821 V822	E704-G781 VanDerWaalsContact OE2-CA 3.31Å; E704-G781 WeakPolarHBondContact OE2-CA 3.08Å; G781-Q821 PolarHBondContact O-NE2 2.65Å; G781-Q821 VanDerWaalsContact O-NE2 3.16Å; G781-V822 PolarHBondContact N-O 3.08Å; G781-V822 WeakPolarHBondContact O-CG2 3.5Å; G781-V822 PolarHBondContact O-N 3.49Å
782	R	97.1	Very high	97.4	Very high	101 Å²	101	35.8 Å²	35.8	38%	0.381	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	109.8	178.6	179.6	174.8	144.3	173.2	1.2	109.3	E704 T784 P819 I820	E704-R782 WeakPolarHBondContact CA-O 3.45Å; E704-R782 WeakPolarHBondContact CB-O 2.83Å; E704-R782 VanDerWaalsContact CG-O 3.3Å; E704-R782 WeakPolarHBondContact CG-O 3.01Å; E704-R782 PolarHBondContact OE2-N 3.05Å; R782-T784 HydrophobicContact CG-CG2 4.28Å; R782-T784 PolarHBondContact O-N 2.73Å; R782-T784 VanDerWaalsContact O-N 3.08Å; R782-P819 HydrophobicContact CG-CB 3.69Å; R782-I820 CarbonylContact C-O 3.58Å; R782-I820 WeakPolarHBondContact CA-O 3.12Å
783	V	97.2	Very high	97.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	111.2	174.3	-173.5	0	0	0	0	107.8	L702 L750 L816 P819 I820 V822	L702-V783 HydrophobicContact CB-CG1 4.32Å; L702-V783 HydrophobicContact CB-CG2 4.48Å; L702-V783 HydrophobicContact CD2-CG1 4.12Å; L750-V783 HydrophobicContact CD1-CB 4.38Å; L750-V783 HydrophobicContact CD1-CG2 3.77Å; V783-L816 HydrophobicContact CB-CD1 4.34Å; V783-L816 HydrophobicContact CG1-CD1 3.78Å; V783-P819 CarbonylContact O-C 3.42Å; V783-P819 WeakPolarHBondContact O-CA 3.28Å; V783-P819 WeakPolarHBondContact O-CB 3.44Å; V783-I820 PolarHBondContact N-O 3.48Å; V783-I820 PolarHBondContact O-N 3.32Å; V783-V822 HydrophobicContact CG2-CB 4.39Å; V783-V822 HydrophobicContact CG2-CG1 3.71Å; V783-V822 HydrophobicContact CG2-CG2 3.71Å
784	T	96.1	Very high	97.6	Very high	2 Å²	2	32 Å²	32	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-26.2	175.4	63.2	0	0	0	0	112	V703 S705 R782 L816 P819	V703-T784 PolarHBondContact O-N 2.66Å; S705-T784 PolarHBondContact N-OG1 3.11Å; S705-T784 PolarHBondContact O-OG1 3.13Å; R782-T784 HydrophobicContact CG-CG2 4.28Å; R782-T784 PolarHBondContact O-N 2.73Å; R782-T784 VanDerWaalsContact O-N 3.08Å; T784-L816 PolarHBondContact O-N 3.28Å; T784-P819 HydrophobicContact CG2-CB 4Å; T784-P819 HydrophobicContact CG2-CG 4.11Å
785	A	97	Very high	97.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	165.4	-177.3	0	0	0	0	0	112.6	V703 L708 V814	V703-A785 HydrophobicContact CG2-CB 3.95Å; V703-A785 PolarHBondContact N-O 2.88Å; V703-A785 PolarHBondContact O-N 3.05Å; L708-A785 HydrophobicContact CD1-CB 3.52Å; A785-V814 CarbonylContact C-O 3.59Å; A785-V814 WeakPolarHBondContact CA-O 3.46Å; A785-V814 WeakPolarHBondContact CB-O 3.48Å
786	I	97.6	Very high	97.1	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	84.3	174.5	-45.2	178.9	0	0	0	108.4	L701 L702 A813 V814 L830 I841	L701-I786 WeakPolarHBondContact O-CA 3.38Å; L702-I786 HydrophobicContact CD2-CD1 3.9Å; L702-I786 HydrophobicContact CD2-CG1 3.78Å; L702-I786 HydrophobicContact CD2-CG2 4.36Å; I786-A813 WeakPolarHBondContact O-CA 3.32Å; I786-V814 HydrophobicContact CB-CB 4.34Å; I786-V814 PolarHBondContact N-O 3.36Å; I786-V814 PolarHBondContact O-N 2.76Å; I786-L830 HydrophobicContact CD1-CD1 4.2Å; I786-L830 HydrophobicContact CD1-CD2 3.84Å; I786-I841 HydrophobicContact CD1-CG2 3.79Å
787	P	97.7	Very high	96.9	Very high	3 Å²	3	37 Å²	37	2%	0.019	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	141.4	165.7	-28.5	35.9	0	0	0	112	G700 L701 V703 L742 L745 A812 A813	G700-P787 CarbonylContact C-O 3.51Å; G700-P787 VanDerWaalsContact CA-O 3.23Å; G700-P787 WeakPolarHBondContact CA-O 3.4Å; L701-P787 PolarHBondContact N-O 2.97Å; L701-P787 VanDerWaalsContact O-CD 3.26Å; L701-P787 WeakPolarHBondContact O-CD 3.12Å; V703-P787 HydrophobicContact CG1-CG 4.05Å; V703-P787 VanDerWaalsContact CG2-CD 3.47Å; V703-P787 HydrophobicContact CG2-CG 3.79Å; L742-P787 HydrophobicContact CD1-CB 3.85Å; L742-P787 HydrophobicContact CD2-CB 3.75Å; L742-P787 HydrophobicContact CD2-CG 4.29Å; L742-P787 HydrophobicContact CG-CB 4.46Å; L745-P787 HydrophobicContact CD2-CG 4.39Å; P787-A812 CarbonylContact C-O 3.53Å; P787-A812 WeakPolarHBondContact CA-O 3.29Å; P787-A813 HydrophobicContact CB-CB 4.26Å; P787-A813 HydrophobicContact CG-CB 4.1Å
788	F	97.7	Very high	96.8	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	154.2	176.9	63.8	-93.8	0	0	0	112.7	G668 L669 M698 F699 I736 Y790 A812 V814 I841	G668-F788 WeakPolarHBondContact O-CE2 3.18Å; L669-F788 HydrophobicContact CD2-CE2 4.47Å; L669-F788 HydrophobicContact CD2-CZ 4.08Å; M698-F788 HydrophobicContact CG-CB 4.37Å; M698-F788 HydrophobicContact CG-CD2 4.39Å; M698-F788 HydrophobicContact SD-CD2 4.25Å; F699-F788 WeakPolarHBondContact O-CA 3.47Å; F699-F788 WeakPolarHBondContact O-CB 3.38Å; I736-F788 HydrophobicContact CG2-CE1 4.01Å; I736-F788 HydrophobicContact CG2-CZ 3.91Å; F788-Y790 HydrophobicContact CD2-CE2 4.42Å; F788-Y790 VanDerWaalsContact CE2-OH 3.31Å; F788-Y790 WeakPolarHBondContact CE2-OH 3.46Å; F788-A812 HydrophobicContact CD2-CB 4.39Å; F788-A812 HydrophobicContact CE1-CB 3.81Å; F788-A812 HydrophobicContact CE2-CB 3.64Å; F788-A812 HydrophobicContact CZ-CB 3.31Å; F788-A812 PolarHBondContact N-O 2.8Å; F788-A812 PolarHBondContact O-N 2.79Å; F788-V814 HydrophobicContact CD1-CG2 4.26Å; F788-V814 HydrophobicContact CE1-CG2 3.94Å; F788-I841 HydrophobicContact CD1-CD1 4.35Å
789	W	98.4	Very high	96.8	Very high	26 Å²	26	42 Å²	42	10%	0.098	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	179.5	179.3	67.1	96.8	0	0	0	109.3	M698 F699 L701 L742 P753 H791 Q811	M698-W789 WeakPolarHBondContact CA-O 3.42Å; F699-W789 HydrophobicContact CB-CD2 4.15Å; F699-W789 HydrophobicContact CB-CH2 4.39Å; F699-W789 HydrophobicContact CB-CZ2 3.83Å; F699-W789 PolarHBondContact N-O 2.96Å; F699-W789 PolarHBondContact O-N 2.6Å; F699-W789 VanDerWaalsContact O-N 3.1Å; L701-W789 HydrophobicContact CB-CH2 4.2Å; L701-W789 HydrophobicContact CB-CZ3 4.02Å; L742-W789 HydrophobicContact CD1-CE3 3.9Å; L742-W789 HydrophobicContact CD1-CZ3 4.44Å; P753-W789 HydrophobicContact CB-CH2 3.82Å; P753-W789 HydrophobicContact CB-CZ2 3.87Å; P753-W789 HydrophobicContact CG-CH2 3.9Å; P753-W789 HydrophobicContact CG-CZ2 4.08Å; W789-H791 AromaticContact NE1-NE2 3.7Å; W789-Q811 HydrophobicContact CB-CG 4.07Å
790	Y	98.4	Very high	96.8	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	145.2	-172.2	-47.7	-91.7	0	0	0	113	I664 G668 I670 V696 L697 M698 F788 T802	I664-Y790 HydrophobicContact CD1-CD1 3.72Å; I664-Y790 HydrophobicContact CD1-CD2 3.58Å; I664-Y790 HydrophobicContact CD1-CE1 3.84Å; I664-Y790 HydrophobicContact CD1-CE2 3.72Å; I664-Y790 HydrophobicContact CD1-CG 3.58Å; I664-Y790 HydrophobicContact CG1-CD2 3.98Å; I664-Y790 HydrophobicContact CG1-CE2 4.42Å; I664-Y790 HydrophobicContact CG1-CG 4.13Å; I664-Y790 HydrophobicContact CG2-CD2 3.9Å; I664-Y790 HydrophobicContact CG2-CE2 3.92Å; G668-Y790 WeakPolarHBondContact O-CE2 3.45Å; G668-Y790 PolarHBondContact O-OH 3.3Å; I670-Y790 HydrophobicContact CD1-CE1 4.2Å; I670-Y790 HydrophobicContact CG1-CE1 3.9Å; V696-Y790 HydrophobicContact CG1-CD1 3.91Å; V696-Y790 HydrophobicContact CG1-CG 4.24Å; L697-Y790 CarbonylContact O-C 3.58Å; L697-Y790 VanDerWaalsContact O-CA 3.29Å; L697-Y790 WeakPolarHBondContact O-CA 3.35Å; M698-Y790 HydrophobicContact CB-CD1 3.86Å; M698-Y790 HydrophobicContact CB-CE1 3.92Å; M698-Y790 HydrophobicContact CG-CD1 3.99Å; M698-Y790 HydrophobicContact CG-CE1 3.68Å; M698-Y790 HydrophobicContact SD-CE1 4.01Å; F788-Y790 HydrophobicContact CD2-CE2 4.42Å; F788-Y790 VanDerWaalsContact CE2-OH 3.31Å; F788-Y790 WeakPolarHBondContact CE2-OH 3.46Å; Y790-T802 HydrophobicContact CD2-CG2 4.24Å; Y790-T802 PolarHBondContact N-OG1 3.18Å; Y790-T802 PolarHBondContact O-N 3.16Å; Y790-T802 PolarHBondContact O-OG1 2.86Å
791	H	98.4	Very high	96.8	Very high	24 Å²	24	37.3 Å²	37.3	11%	0.111	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.4	158.4	-65.8	174.1	0	0	0	109	V696 L697 F699 W789 Y793 L800 D801	V696-H791 WeakPolarHBondContact CA-O 3.4Å; L697-H791 HydrophobicContact CB-CB 4.5Å; L697-H791 PolarHBondContact N-O 3.23Å; L697-H791 PolarHBondContact O-N 3.45Å; F699-H791 AromaticContact CD2-CE1 3.98Å; F699-H791 AromaticContact CD2-CG 3.97Å; F699-H791 AromaticContact CD2-ND1 3.87Å; F699-H791 HydrophobicContact CE2-CB 4.07Å; F699-H791 AromaticContact CE2-CE1 3.63Å; F699-H791 AromaticContact CE2-CG 3.62Å; F699-H791 AromaticContact CE2-ND1 3.21Å; F699-H791 WeakPolarHBondContact CE2-ND1 3.29Å; F699-H791 AromaticContact CZ-ND1 3.85Å; W789-H791 AromaticContact NE1-NE2 3.7Å; H791-Y793 HydrophobicContact CB-CD2 4.25Å; H791-Y793 HydrophobicContact CB-CE2 3.62Å; H791-L800 CarbonylContact C-O 3.43Å; H791-L800 VanDerWaalsContact CA-O 3.27Å; H791-L800 WeakPolarHBondContact CA-O 3.37Å; H791-D801 IonicContact CD2-OD1 2.97Å; H791-D801 IonicContact CD2-OD2 3.31Å; H791-D801 IonicContact NE2-OD1 2.7Å; H791-D801 IonicContact NE2-OD2 3.26Å
792	M	98.3	Very high	96.8	Very high	6 Å²	6	37 Å²	37	3%	0.03	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	114.2	178	-58	167	68.4	0	0	109.1	V663 I664 P693 V696 R799 L800 T802 W809	V663-M792 HydrophobicContact CB-CE 4.15Å; V663-M792 HydrophobicContact CG2-CE 4.35Å; I664-M792 HydrophobicContact CG1-CG 4.46Å; I664-M792 HydrophobicContact CG1-SD 3.96Å; P693-M792 HydrophobicContact CB-CB 3.98Å; P693-M792 HydrophobicContact CB-CE 4.48Å; P693-M792 HydrophobicContact CG-CB 4.2Å; P693-M792 HydrophobicContact CG-CE 3.71Å; V696-M792 HydrophobicContact CG1-CG 4.17Å; V696-M792 HydrophobicContact CG2-CB 4.38Å; V696-M792 HydrophobicContact CG2-CG 4.05Å; M792-R799 CarbonylContact O-C 3.5Å; M792-R799 VanDerWaalsContact O-CA 3.23Å; M792-R799 WeakPolarHBondContact O-CA 3.19Å; M792-L800 HydrophobicContact CB-CB 4.23Å; M792-L800 PolarHBondContact N-O 2.97Å; M792-L800 PolarHBondContact O-N 3.42Å; M792-T802 HydrophobicContact SD-CG2 4.29Å; M792-W809 HydrophobicContact SD-CH2 4.19Å; M792-W809 HydrophobicContact SD-CZ2 4.27Å
793	Y	98.3	Very high	96.8	Very high	32 Å²	32	34.3 Å²	34.3	13%	0.125	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	107.6	-177.2	-74.2	-101.7	0	0	0	109.8	Q694 Y695 L697 H791 D795 R799	Q694-Y793 PolarHBondContact N-O 2.91Å; Y695-Y793 AromaticContact CD2-CD2 3.94Å; Y695-Y793 HydrophobicContact CD2-CD2 3.94Å; Y695-Y793 HydrophobicContact CD2-CG 4.19Å; Y695-Y793 HydrophobicContact CE1-CD1 4.42Å; Y695-Y793 HydrophobicContact CE1-CG 4.01Å; Y695-Y793 HydrophobicContact CE2-CD1 4.12Å; Y695-Y793 AromaticContact CE2-CD2 3.3Å; Y695-Y793 HydrophobicContact CE2-CD2 3.3Å; Y695-Y793 AromaticContact CE2-CE2 3.88Å; Y695-Y793 HydrophobicContact CE2-CE2 3.88Å; Y695-Y793 AromaticContact CE2-CG 3.43Å; Y695-Y793 HydrophobicContact CE2-CG 3.43Å; Y695-Y793 VanDerWaalsContact CE2-CG 3.43Å; Y695-Y793 VanDerWaalsContact CZ-CB 3.43Å; Y695-Y793 AromaticContact CZ-CD1 3.67Å; Y695-Y793 AromaticContact CZ-CD2 3.74Å; Y695-Y793 AromaticContact CZ-CG 3.32Å; Y695-Y793 PolarHBondContact O-N 3.38Å; Y695-Y793 WeakPolarHBondContact OH-CD1 3.46Å; L697-Y793 HydrophobicContact CD1-CD2 4.46Å; L697-Y793 HydrophobicContact CD1-CE2 3.66Å; L697-Y793 HydrophobicContact CG-CD2 4.33Å; L697-Y793 HydrophobicContact CG-CE2 3.93Å; H791-Y793 HydrophobicContact CB-CD2 4.25Å; H791-Y793 HydrophobicContact CB-CE2 3.62Å; Y793-D795 VanDerWaalsContact C-N 3.31Å; Y793-D795 WeakPolarHBondContact CD1-O 3.48Å; Y793-R799 HydrophobicContact CD1-CB 3.88Å; Y793-R799 HydrophobicContact CD2-CB 4.32Å; Y793-R799 HydrophobicContact CE1-CB 3.92Å; Y793-R799 HydrophobicContact CE2-CB 4.33Å; Y793-R799 HydrophobicContact CG-CB 4.11Å
794	L	97.8	Very high	96.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-72.3	-34.8	169.9	-51.8	-176.4	0	0	0	109.8	F537 A540 F692 P693 Q694 I798 L800	F537-L794 HydrophobicContact CB-CD1 4.41Å; F537-L794 HydrophobicContact CD1-CD1 3.95Å; F537-L794 HydrophobicContact CD1-CD2 4.37Å; F537-L794 HydrophobicContact CD2-CD1 3.91Å; F537-L794 HydrophobicContact CE1-CD1 4.16Å; F537-L794 HydrophobicContact CE1-CD2 3.77Å; F537-L794 HydrophobicContact CE2-CD1 4.09Å; F537-L794 HydrophobicContact CE2-CD2 4.16Å; F537-L794 HydrophobicContact CG-CD1 3.83Å; F537-L794 HydrophobicContact CZ-CD1 4.23Å; F537-L794 HydrophobicContact CZ-CD2 3.65Å; A540-L794 HydrophobicContact CB-CB 3.65Å; A540-L794 HydrophobicContact CB-CD1 4.09Å; F692-L794 HydrophobicContact CB-CD2 4.1Å; F692-L794 HydrophobicContact CD1-CB 4.26Å; F692-L794 WeakPolarHBondContact CD1-O 3.37Å; F692-L794 HydrophobicContact CE1-CB 4.45Å; F692-L794 WeakPolarHBondContact CE1-O 3.5Å; F692-L794 HydrophobicContact CG-CD2 4.39Å; P693-L794 HydrophobicContact CB-CD2 4.08Å; Q694-L794 PolarHBondContact NE2-O 3.3Å; L794-I798 HydrophobicContact CB-CG2 4.26Å; L794-I798 HydrophobicContact CD1-CG2 4.18Å; L794-I798 HydrophobicContact CG-CG2 4.5Å; L794-I798 PolarHBondContact N-O 3.05Å; L794-L800 HydrophobicContact CD1-CD1 4.24Å; L794-L800 HydrophobicContact CD1-CD2 4.36Å; L794-L800 HydrophobicContact CD1-CG 4.27Å; L794-L800 HydrophobicContact CD2-CD1 4.12Å; L794-L800 HydrophobicContact CG-CD1 4.32Å; L794-L800 HydrophobicContact CG-CG 4.3Å
795	D	92.7	Very high	96.6	Very high	32 Å²	32	45.1 Å²	45.1	17%	0.171	22%	0.215	C	C	.	.	S	Bend	trans	-148.1	169.6	173.3	-165.3	4.2	0	0	0	109.2	K543 Y793 E797 I798	K543-D795 WeakPolarHBondContact CD-OD2 3.48Å; K543-D795 WeakPolarHBondContact CE-OD2 3.33Å; K543-D795 IonicContact NZ-OD2 2.8Å; K543-D795 PolarHBondContact NZ-OD2 3.32Å; Y793-D795 VanDerWaalsContact C-N 3.31Å; Y793-D795 WeakPolarHBondContact CD1-O 3.48Å; D795-E797 PolarHBondContact O-N 2.97Å; D795-E797 VanDerWaalsContact O-N 3.14Å; D795-I798 HydrophobicContact CB-CB 4.13Å; D795-I798 HydrophobicContact CB-CD1 4.27Å; D795-I798 HydrophobicContact CB-CG1 4.28Å; D795-I798 PolarHBondContact N-O 3.4Å; D795-I798 CarbonylContact O-C 3.5Å; D795-I798 PolarHBondContact O-N 3.07Å; D795-I798 VanDerWaalsContact O-N 3.14Å
796	E	89.9	Confident	96.5	Very high	162 Å²	162	46.5 Å²	46.5	76%	0.757	23%	0.227	S	C	*	.	S	Bend	trans	-57.9	-30.1	179.2	-65.9	-173.4	175.8	0	0	112.7
797	E	92.6	Very high	96.4	Very high	163 Å²	163	46.7 Å²	46.7	76%	0.762	23%	0.228	S	C	*	.	S	Bend	trans	-97.5	-16.2	-179.8	-61.7	174	158.5	0	0	113.4	K543 D795	K543-E797 IonicContact NZ-OE2 2.79Å; K543-E797 PolarHBondContact NZ-OE2 2.72Å; D795-E797 PolarHBondContact O-N 2.97Å; D795-E797 VanDerWaalsContact O-N 3.14Å
798	I	97	Very high	96.3	Very high	16 Å²	16	47.5 Å²	47.5	8%	0.082	23%	0.232	C	C	.	.			trans	-119.6	110.7	-170.5	-55.4	170.8	0	0	0	108.8	M539 A540 K543 L794 D795	M539-I798 HydrophobicContact CB-CD1 3.7Å; A540-I798 HydrophobicContact CB-CD1 3.99Å; K543-I798 HydrophobicContact CD-CD1 4.15Å; L794-I798 HydrophobicContact CB-CG2 4.26Å; L794-I798 HydrophobicContact CD1-CG2 4.18Å; L794-I798 HydrophobicContact CG-CG2 4.5Å; L794-I798 PolarHBondContact N-O 3.05Å; D795-I798 HydrophobicContact CB-CB 4.13Å; D795-I798 HydrophobicContact CB-CD1 4.27Å; D795-I798 HydrophobicContact CB-CG1 4.28Å; D795-I798 PolarHBondContact N-O 3.4Å; D795-I798 CarbonylContact O-C 3.5Å; D795-I798 PolarHBondContact O-N 3.07Å; D795-I798 VanDerWaalsContact O-N 3.14Å
799	R	97.3	Very high	96.3	Very high	143 Å²	143	47.8 Å²	47.8	54%	0.54	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	150.6	176.6	74.3	173.6	-174	-92.9	-1.5	112.5	M792 Y793	M792-R799 CarbonylContact O-C 3.5Å; M792-R799 VanDerWaalsContact O-CA 3.23Å; M792-R799 WeakPolarHBondContact O-CA 3.19Å; Y793-R799 HydrophobicContact CD1-CB 3.88Å; Y793-R799 HydrophobicContact CD2-CB 4.32Å; Y793-R799 HydrophobicContact CE1-CB 3.92Å; Y793-R799 HydrophobicContact CE2-CB 4.33Å; Y793-R799 HydrophobicContact CG-CB 4.11Å
800	L	98	Very high	96.1	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.052	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	142.1	167.6	-49.4	175.3	0	0	0	108.6	Y533 F537 H791 M792 L794	Y533-L800 HydrophobicContact CD2-CD1 3.69Å; Y533-L800 HydrophobicContact CD2-CD2 4.42Å; Y533-L800 HydrophobicContact CE2-CD1 3.9Å; F537-L800 HydrophobicContact CD2-CD1 4.26Å; F537-L800 HydrophobicContact CE2-CD1 3.58Å; F537-L800 HydrophobicContact CZ-CD1 4.28Å; H791-L800 CarbonylContact C-O 3.43Å; H791-L800 VanDerWaalsContact CA-O 3.27Å; H791-L800 WeakPolarHBondContact CA-O 3.37Å; M792-L800 HydrophobicContact CB-CB 4.23Å; M792-L800 PolarHBondContact N-O 2.97Å; M792-L800 PolarHBondContact O-N 3.42Å; L794-L800 HydrophobicContact CD1-CD1 4.24Å; L794-L800 HydrophobicContact CD1-CD2 4.36Å; L794-L800 HydrophobicContact CD1-CG 4.27Å; L794-L800 HydrophobicContact CD2-CD1 4.12Å; L794-L800 HydrophobicContact CG-CD1 4.32Å; L794-L800 HydrophobicContact CG-CG 4.3Å
801	D	97.9	Very high	96.1	Very high	46 Å²	46	48.6 Å²	48.6	25%	0.246	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	115.1	-179.8	-175.7	-15	0	0	0	109.5	H791 S803 S804	H791-D801 IonicContact CD2-OD1 2.97Å; H791-D801 IonicContact CD2-OD2 3.31Å; H791-D801 IonicContact NE2-OD1 2.7Å; H791-D801 IonicContact NE2-OD2 3.26Å; D801-S803 PolarHBondContact O-N 2.96Å; D801-S803 WeakPolarHBondContact OD1-CB 3.13Å; D801-S803 PolarHBondContact OD1-N 2.95Å; D801-S803 PolarHBondContact OD1-OG 2.95Å; D801-S804 WeakPolarHBondContact O-CB 3.46Å; D801-S804 PolarHBondContact O-N 2.95Å; D801-S804 PolarHBondContact O-OG 3.34Å
802	T	98.1	Very high	95.9	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-2.3	-177.3	72	0	0	0	0	113.1	I664 Y790 M792 S807 W809 Q811	I664-T802 HydrophobicContact CG2-CG2 4.45Å; Y790-T802 HydrophobicContact CD2-CG2 4.24Å; Y790-T802 PolarHBondContact N-OG1 3.18Å; Y790-T802 PolarHBondContact O-N 3.16Å; Y790-T802 PolarHBondContact O-OG1 2.86Å; M792-T802 HydrophobicContact SD-CG2 4.29Å; T802-S807 PolarHBondContact O-OG 2.96Å; T802-W809 HydrophobicContact CG2-CD2 4.19Å; T802-W809 HydrophobicContact CG2-CE3 3.98Å; T802-W809 HydrophobicContact CG2-CG 4.47Å; T802-W809 HydrophobicContact CG2-CZ3 4.44Å; T802-Q811 PolarHBondContact O-NE2 3.44Å
803	S	97	Very high	95.8	Very high	45 Å²	45	47.1 Å²	47.1	32%	0.315	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	3.1	173.9	71.8	0	0	0	0	113.4	D801	D801-S803 PolarHBondContact O-N 2.96Å; D801-S803 WeakPolarHBondContact OD1-CB 3.13Å; D801-S803 PolarHBondContact OD1-N 2.95Å; D801-S803 PolarHBondContact OD1-OG 2.95Å
804	S	96.1	Very high	95.6	Very high	44 Å²	44	46.1 Å²	46.1	31%	0.308	23%	0.227	S	C	.	.	S	Bend	trans	-66.2	156	177.7	63.6	0	0	0	0	112.3	D801 A806 S807	D801-S804 WeakPolarHBondContact O-CB 3.46Å; D801-S804 PolarHBondContact O-N 2.95Å; D801-S804 PolarHBondContact O-OG 3.34Å; S804-A806 PolarHBondContact O-N 2.84Å; S804-S807 WeakPolarHBondContact O-CB 3.38Å; S804-S807 PolarHBondContact O-N 2.79Å
805	E	92.9	Very high	95.4	Very high	185 Å²	185	46.3 Å²	46.3	86%	0.864	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-36.1	179.7	-174.7	-178.9	175.4	0	0	113	S807	E805-S807 VanDerWaalsContact C-N 3.3Å
806	A	93.7	Very high	95.3	Very high	30 Å²	30	45.7 Å²	45.7	25%	0.248	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	0.9	177.9	0	0	0	0	0	113.5	N530 S804 H808	N530-A806 WeakPolarHBondContact CB-O 3.32Å; N530-A806 PolarHBondContact ND2-O 2.85Å; S804-A806 PolarHBondContact O-N 2.84Å; A806-H808 PolarHBondContact O-N 2.94Å
807	S	96.4	Very high	94.9	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.028	22%	0.216	C	C	.	.			trans	-57.1	134.1	-176.8	-174.8	0	0	0	0	110.9	R315 T802 S804 E805 W809	R315-S807 PolarHBondContact NH1-O 3.34Å; R315-S807 PolarHBondContact NH2-O 3.06Å; T802-S807 PolarHBondContact O-OG 2.96Å; S804-S807 WeakPolarHBondContact O-CB 3.38Å; S804-S807 PolarHBondContact O-N 2.79Å; E805-S807 VanDerWaalsContact C-N 3.3Å; S807-W809 PolarHBondContact OG-N 3.25Å; S807-W809 VanDerWaalsContact OG-N 3.14Å; S807-W809 PolarHBondContact OG-O 3.1Å
808	H	95.9	Very high	94.6	Very high	21 Å²	21	41.3 Å²	41.3	10%	0.097	21%	0.213	C	C	.	.	S	Bend	trans	-92.3	-10.1	170.1	60.4	-86.8	0	0	0	111.7	A526 L527 Y533 A806	A526-H808 HydrophobicContact CB-CB 3.84Å; L527-H808 HydrophobicContact CB-CB 4.16Å; L527-H808 VanDerWaalsContact CD1-CE1 3.4Å; L527-H808 WeakPolarHBondContact CD1-CE1 3.35Å; Y533-H808 AromaticContact CD2-CE1 3.92Å; Y533-H808 AromaticContact CE2-CE1 4Å; A806-H808 PolarHBondContact O-N 2.94Å
809	W	96.6	Very high	94.4	Very high	10 Å²	10	42.2 Å²	42.2	4%	0.038	22%	0.219	C	C	.	.	S	Bend	trans	-87.2	138	169.2	-58	-84.9	0	0	0	110.4	Y533 I664 M792 T802 S807 Q811	Y533-W809 AromaticContact CD2-CH2 3.67Å; Y533-W809 HydrophobicContact CD2-CH2 3.67Å; Y533-W809 HydrophobicContact CD2-CZ3 4.17Å; Y533-W809 AromaticContact CE2-CH2 3.55Å; Y533-W809 HydrophobicContact CE2-CH2 3.55Å; Y533-W809 HydrophobicContact CE2-CZ2 4.18Å; Y533-W809 HydrophobicContact CE2-CZ3 4.46Å; I664-W809 HydrophobicContact CG2-CG 4.28Å; I664-W809 PolarHBondContact O-NE1 3.33Å; M792-W809 HydrophobicContact SD-CH2 4.19Å; M792-W809 HydrophobicContact SD-CZ2 4.27Å; T802-W809 HydrophobicContact CG2-CD2 4.19Å; T802-W809 HydrophobicContact CG2-CE3 3.98Å; T802-W809 HydrophobicContact CG2-CG 4.47Å; T802-W809 HydrophobicContact CG2-CZ3 4.44Å; S807-W809 PolarHBondContact OG-N 3.25Å; S807-W809 VanDerWaalsContact OG-N 3.14Å; S807-W809 PolarHBondContact OG-O 3.1Å; W809-Q811 PolarHBondContact O-NE2 2.77Å; W809-Q811 VanDerWaalsContact O-NE2 3.09Å
810	K	95.5	Very high	94.3	Very high	37 Å²	37	37.3 Å²	37.3	16%	0.161	20%	0.204	C	C	.	.			trans	-80.4	171.3	161.8	-58.2	-65.7	179	171.8	0	109.6	E312 P666 G668 F739 D741	E312-K810 IonicContact OE1-NZ 2.62Å; P666-K810 WeakPolarHBondContact O-CB 2.99Å; P666-K810 PolarHBondContact O-N 2.83Å; G668-K810 VanDerWaalsContact CA-O 3.22Å; G668-K810 WeakPolarHBondContact CA-O 3.36Å; F739-K810 HydrophobicContact CD1-CB 4.43Å; F739-K810 HydrophobicContact CD1-CG 4.24Å; D741-K810 VanDerWaalsContact OD1-CD 3.26Å; D741-K810 WeakPolarHBondContact OD1-CD 3.27Å; D741-K810 IonicContact OD1-NZ 2.91Å; D741-K810 PolarHBondContact OD1-NZ 2.69Å; D741-K810 IonicContact OD2-NZ 3.84Å; D741-K810 PolarHBondContact OD2-NZ 3.07Å
811	Q	97	Very high	94.3	Very high	9 Å²	9	42.6 Å²	42.6	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	175.2	179.4	-59.7	85.7	60	0	0	110.7	F739 L740 L742 W789 T802 W809	F739-Q811 PolarHBondContact N-O 3.35Å; L740-Q811 WeakPolarHBondContact CB-O 3.38Å; L740-Q811 PolarHBondContact N-O 2.78Å; L740-Q811 PolarHBondContact O-N 3.21Å; L740-Q811 PolarHBondContact O-OE1 3.38Å; L742-Q811 HydrophobicContact CD1-CB 3.71Å; L742-Q811 HydrophobicContact CD1-CG 3.85Å; L742-Q811 HydrophobicContact CD2-CB 4.28Å; L742-Q811 HydrophobicContact CG-CB 3.61Å; L742-Q811 HydrophobicContact CG-CG 3.91Å; W789-Q811 HydrophobicContact CB-CG 4.07Å; T802-Q811 PolarHBondContact O-NE2 3.44Å; W809-Q811 PolarHBondContact O-NE2 2.77Å; W809-Q811 VanDerWaalsContact O-NE2 3.09Å
812	A	95.2	Very high	94.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	164.4	-179.9	0	0	0	0	0	111.4	L669 I736 R737 V738 P787 F788	L669-A812 HydrophobicContact CD2-CB 4.26Å; I736-A812 HydrophobicContact CG2-CB 4.13Å; R737-A812 CarbonylContact O-C 3.56Å; R737-A812 WeakPolarHBondContact O-CA 3.45Å; R737-A812 WeakPolarHBondContact O-CB 3.43Å; V738-A812 HydrophobicContact CG1-CB 4.23Å; P787-A812 CarbonylContact C-O 3.53Å; P787-A812 WeakPolarHBondContact CA-O 3.29Å; F788-A812 HydrophobicContact CD2-CB 4.39Å; F788-A812 HydrophobicContact CE1-CB 3.81Å; F788-A812 HydrophobicContact CE2-CB 3.64Å; F788-A812 HydrophobicContact CZ-CB 3.31Å; F788-A812 PolarHBondContact N-O 2.8Å; F788-A812 PolarHBondContact O-N 2.79Å
813	A	95.4	Very high	94.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	134	177.6	0	0	0	0	0	111.2	L708 I736 R737 L740 I786 P787 V815	L708-A813 HydrophobicContact CD1-CB 3.97Å; I736-A813 WeakPolarHBondContact CA-O 3.27Å; R737-A813 PolarHBondContact N-O 2.96Å; R737-A813 PolarHBondContact O-N 2.71Å; L740-A813 HydrophobicContact CD1-CB 3.55Å; I786-A813 WeakPolarHBondContact O-CA 3.32Å; P787-A813 HydrophobicContact CB-CB 4.26Å; P787-A813 HydrophobicContact CG-CB 4.1Å; A813-V815 PolarHBondContact O-N 3.08Å
814	V	94.4	Very high	94.2	Very high	10 Å²	10	49.1 Å²	49.1	6%	0.061	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	121.4	165.9	179.1	0	0	0	0	108.1	P735 I736 A785 I786 F788 L816 I841	P735-V814 CarbonylContact O-C 3.46Å; P735-V814 WeakPolarHBondContact O-CA 3.47Å; I736-V814 HydrophobicContact CG1-CG2 4.29Å; A785-V814 CarbonylContact C-O 3.59Å; A785-V814 WeakPolarHBondContact CA-O 3.46Å; A785-V814 WeakPolarHBondContact CB-O 3.48Å; I786-V814 HydrophobicContact CB-CB 4.34Å; I786-V814 PolarHBondContact N-O 3.36Å; I786-V814 PolarHBondContact O-N 2.76Å; F788-V814 HydrophobicContact CD1-CG2 4.26Å; F788-V814 HydrophobicContact CE1-CG2 3.94Å; V814-L816 HydrophobicContact CG1-CD2 4.45Å; V814-I841 HydrophobicContact CG2-CB 4.12Å; V814-I841 HydrophobicContact CG2-CD1 3.81Å; V814-I841 HydrophobicContact CG2-CG1 4.29Å
815	V	93.3	Very high	94.1	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.03	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127	175.1	-175	0	0	0	0	108.2	L708 N712 P735 R737 A813	L708-V815 HydrophobicContact CB-CG2 4.26Å; N712-V815 HydrophobicContact CB-CB 4.49Å; N712-V815 HydrophobicContact CB-CG1 4.13Å; N712-V815 HydrophobicContact CB-CG2 4.43Å; P735-V815 PolarHBondContact O-N 2.79Å; R737-V815 HydrophobicContact CB-CG2 4.37Å; R737-V815 HydrophobicContact CG-CG2 3.62Å; A813-V815 PolarHBondContact O-N 3.08Å
816	L	90.8	Very high	94.3	Very high	19 Å²	19	44.8 Å²	44.8	10%	0.099	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	123.5	-179	-58.5	-176	0	0	0	110.2	V783 T784 V814 N818 I820 V843	V783-L816 HydrophobicContact CB-CD1 4.34Å; V783-L816 HydrophobicContact CG1-CD1 3.78Å; T784-L816 PolarHBondContact O-N 3.28Å; V814-L816 HydrophobicContact CG1-CD2 4.45Å; L816-N818 PolarHBondContact O-N 3.2Å; L816-I820 HydrophobicContact CD1-CD1 4.27Å; L816-I820 HydrophobicContact CD1-CG1 4.35Å; L816-V843 HydrophobicContact CD1-CG2 4.24Å; L816-V843 HydrophobicContact CD2-CG2 4.42Å
817	D	82.1	Confident	94.3	Very high	103 Å²	103	48.8 Å²	48.8	55%	0.551	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.8	-39.7	173.5	-57.3	-23.4	0	0	0	111.7	P819	D817-P819 WeakPolarHBondContact O-CD 3.5Å
818	N	86.5	Confident	94.3	Very high	130 Å²	130	49.6 Å²	49.6	70%	0.695	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	94.2	178.7	-64.8	-73.8	0	0	0	108.9	L816 I820	L816-N818 PolarHBondContact O-N 3.2Å; N818-I820 WeakPolarHBondContact O-CG1 3.28Å
819	P	92.6	Very high	94.3	Very high	35 Å²	35	50.2 Å²	50.2	23%	0.227	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	146.1	177.1	-32	41.7	0	0	0	112.8	L709 R782 V783 T784 D817	L709-P819 HydrophobicContact CD1-CG 4.26Å; R782-P819 HydrophobicContact CG-CB 3.69Å; V783-P819 CarbonylContact O-C 3.42Å; V783-P819 WeakPolarHBondContact O-CA 3.28Å; V783-P819 WeakPolarHBondContact O-CB 3.44Å; T784-P819 HydrophobicContact CG2-CB 4Å; T784-P819 HydrophobicContact CG2-CG 4.11Å; D817-P819 WeakPolarHBondContact O-CD 3.5Å
820	I	95.3	Very high	94.3	Very high	40 Å²	40	49.8 Å²	49.8	21%	0.205	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125	-168.1	-55.9	177.1	0	0	0	109.4	R782 V783 L816 N818 V822 V843	R782-I820 CarbonylContact C-O 3.58Å; R782-I820 WeakPolarHBondContact CA-O 3.12Å; V783-I820 PolarHBondContact N-O 3.48Å; V783-I820 PolarHBondContact O-N 3.32Å; L816-I820 HydrophobicContact CD1-CD1 4.27Å; L816-I820 HydrophobicContact CD1-CG1 4.35Å; N818-I820 WeakPolarHBondContact O-CG1 3.28Å; I820-V822 HydrophobicContact CG2-CG1 4.21Å; I820-V843 HydrophobicContact CD1-CB 3.6Å; I820-V843 HydrophobicContact CD1-CG1 3.53Å; I820-V843 HydrophobicContact CD1-CG2 3.71Å
821	Q	97.1	Very high	94.2	Very high	121 Å²	121	48.4 Å²	48.4	57%	0.565	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	131	171.4	-170.8	64.8	36.1	0	0	109.4	G781	G781-Q821 PolarHBondContact O-NE2 2.65Å; G781-Q821 VanDerWaalsContact O-NE2 3.16Å
822	V	96.8	Very high	94	Very high	2 Å²	2	48 Å²	48	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	150.4	178.7	-63.7	0	0	0	0	111.2	L750 I777 S780 G781 V783 I820 E826	L750-V822 HydrophobicContact CD1-CG2 4.1Å; I777-V822 HydrophobicContact CD1-CB 4.26Å; I777-V822 HydrophobicContact CD1-CG1 4.29Å; I777-V822 HydrophobicContact CD1-CG2 4.23Å; I777-V822 HydrophobicContact CG1-CB 4.11Å; I777-V822 HydrophobicContact CG1-CG1 4.45Å; I777-V822 HydrophobicContact CG1-CG2 4.41Å; I777-V822 HydrophobicContact CG2-CB 4.14Å; I777-V822 HydrophobicContact CG2-CG2 3.83Å; S780-V822 WeakPolarHBondContact CA-O 3.35Å; G781-V822 PolarHBondContact N-O 3.08Å; G781-V822 WeakPolarHBondContact O-CG2 3.5Å; G781-V822 PolarHBondContact O-N 3.49Å; V783-V822 HydrophobicContact CG2-CB 4.39Å; V783-V822 HydrophobicContact CG2-CG1 3.71Å; V783-V822 HydrophobicContact CG2-CG2 3.71Å; I820-V822 HydrophobicContact CG2-CG1 4.21Å; V822-E826 WeakPolarHBondContact CA-OE2 3.28Å
823	E	97.3	Very high	93.6	Very high	92 Å²	92	52.1 Å²	52.1	43%	0.43	28%	0.275	S	S	.	.			trans	-113.7	146	176.6	-66.1	-63.8	159.2	0	0	112.1	I777 S780 G825 E826	I777-E823 WeakPolarHBondContact CB-O 3.42Å; I777-E823 VanDerWaalsContact CG2-O 3.3Å; I777-E823 WeakPolarHBondContact CG2-O 3.47Å; S780-E823 WeakPolarHBondContact CB-OE2 3.41Å; S780-E823 WeakPolarHBondContact OG-CA 3.4Å; S780-E823 PolarHBondContact OG-OE2 3.47Å; E823-G825 PolarHBondContact O-N 3.28Å; E823-E826 HydrophobicContact CB-CG 4.05Å; E823-E826 PolarHBondContact N-OE2 3.07Å; E823-E826 VanDerWaalsContact O-CB 3.28Å; E823-E826 WeakPolarHBondContact O-CB 3.42Å; E823-E826 WeakPolarHBondContact O-CG 3.45Å; E823-E826 PolarHBondContact O-N 3.39Å
824	M	97.5	Very high	93	Very high	134 Å²	134	52.8 Å²	52.8	66%	0.66	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	128.5	175.4	-175.6	-176.7	75.8	0	0	110.6	S780	S780-M824 PolarHBondContact OG-N 3.1Å
825	G	94.8	Very high	92.1	Very high	48 Å²	48	58 Å²	58	50%	0.495	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.3	-14.3	-177.5	0	0	0	0	0	114.3	H776 I777 E823	H776-G825 PolarHBondContact CE1-O 2.79Å; I777-G825 PolarHBondContact O-N 3.32Å; E823-G825 PolarHBondContact O-N 3.28Å
826	E	95.6	Very high	91.1	Very high	91 Å²	91	64.3 Å²	64.3	43%	0.425	33%	0.329	S	S	.	.			trans	-67.4	161.3	173.6	-68	-178.1	162.3	0	0	112.1	H776 I777 V822 E823	H776-E826 PolarHBondContact ND1-O 3.48Å; I777-E826 HydrophobicContact CB-CB 4.39Å; I777-E826 HydrophobicContact CG1-CB 4.07Å; I777-E826 PolarHBondContact N-O 3.36Å; V822-E826 WeakPolarHBondContact CA-OE2 3.28Å; E823-E826 HydrophobicContact CB-CG 4.05Å; E823-E826 PolarHBondContact N-OE2 3.07Å; E823-E826 VanDerWaalsContact O-CB 3.28Å; E823-E826 WeakPolarHBondContact O-CB 3.42Å; E823-E826 WeakPolarHBondContact O-CG 3.45Å; E823-E826 PolarHBondContact O-N 3.39Å
827	E	95.3	Very high	90.1	Very high	113 Å²	113	63.9 Å²	63.9	53%	0.528	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117.8	173.8	-171.4	174.4	-131.7	0	0	108.5	K774 V775	K774-E827 HydrophobicContact CB-CG 4.06Å; K774-E827 WeakPolarHBondContact CB-OE1 3.37Å; K774-E827 WeakPolarHBondContact CD-OE1 3.48Å; K774-E827 IonicContact NZ-OE2 3.25Å; V775-E827 WeakPolarHBondContact O-CA 3.29Å
828	L	95.3	Very high	89.8	Confident	22 Å²	22	61.6 Å²	61.6	12%	0.115	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	139.3	176.8	-160.5	71.2	0	0	0	109.4	L702 V775 I777 L830 V843	L702-L828 HydrophobicContact CD1-CB 4.4Å; L702-L828 HydrophobicContact CD1-CD2 3.81Å; L702-L828 HydrophobicContact CD2-CD2 4.48Å; V775-L828 PolarHBondContact N-O 3.2Å; V775-L828 PolarHBondContact O-N 3.38Å; I777-L828 HydrophobicContact CD1-CB 4.24Å; L828-L830 HydrophobicContact CD2-CD2 4.31Å; L828-V843 HydrophobicContact CD1-CG1 3.64Å; L828-V843 HydrophobicContact CD2-CG1 3.88Å; L828-V843 HydrophobicContact CD2-CG2 4.16Å; L828-V843 HydrophobicContact CG-CG1 3.74Å
829	V	96.3	Very high	89.6	Confident	34 Å²	34	56.3 Å²	56.3	21%	0.206	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	118.7	177.9	-174.9	0	0	0	0	109.6	E772 K774 K844	E772-V829 HydrophobicContact CB-CG1 4.27Å; K774-V829 HydrophobicContact CG-CG2 4.35Å; V829-K844 HydrophobicContact CB-CB 4.27Å; V829-K844 HydrophobicContact CG1-CB 4.33Å; V829-K844 HydrophobicContact CG1-CD 4.34Å; V829-K844 WeakPolarHBondContact O-CB 3.49Å; V829-K844 PolarHBondContact O-N 2.84Å
830	L	95.6	Very high	89.2	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	132.7	171.8	-55.5	-178.8	0	0	0	109.6	L702 L756 E772 V773 V775 I786 L828 I841 T842 V843	L702-L830 HydrophobicContact CD2-CD1 4.3Å; L702-L830 HydrophobicContact CD2-CD2 4.39Å; L756-L830 HydrophobicContact CD2-CD1 3.71Å; E772-L830 CarbonylContact C-O 3.53Å; E772-L830 WeakPolarHBondContact CA-O 3.49Å; V773-L830 HydrophobicContact CB-CB 4.4Å; V773-L830 PolarHBondContact N-O 2.79Å; V773-L830 PolarHBondContact O-N 3.02Å; V775-L830 HydrophobicContact CG2-CD1 3.75Å; V775-L830 HydrophobicContact CG2-CG 3.9Å; I786-L830 HydrophobicContact CD1-CD1 4.2Å; I786-L830 HydrophobicContact CD1-CD2 3.84Å; L828-L830 HydrophobicContact CD2-CD2 4.31Å; L830-I841 HydrophobicContact CB-CG2 4.45Å; L830-I841 HydrophobicContact CD1-CG2 4.31Å; L830-T842 CarbonylContact C-O 3.59Å; L830-T842 WeakPolarHBondContact CA-O 3.29Å; L830-V843 HydrophobicContact CD2-CG2 3.79Å
831	S	93.7	Very high	89	Confident	8 Å²	8	55.9 Å²	55.9	6%	0.056	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	107.8	165.9	168.8	0	0	0	0	108.2	T842	S831-T842 PolarHBondContact N-O 2.97Å; S831-T842 PolarHBondContact O-N 2.88Å; S831-T842 PolarHBondContact O-OG1 2.97Å
832	V	92.8	Very high	88.6	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.7	175.4	-173.6	0	0	0	0	108.2	M698 L756 L757 K770 R771 V773 V839 S840 I841	M698-V832 HydrophobicContact CE-CG1 4.1Å; L756-V832 HydrophobicContact CB-CG2 4.16Å; L756-V832 HydrophobicContact CD2-CG2 4.1Å; L757-V832 HydrophobicContact CB-CG1 4.41Å; K770-V832 CarbonylContact C-O 3.59Å; K770-V832 WeakPolarHBondContact CA-O 3.44Å; R771-V832 PolarHBondContact N-O 3.07Å; R771-V832 PolarHBondContact O-N 3.4Å; V773-V832 HydrophobicContact CG2-CG2 4.14Å; V832-V839 HydrophobicContact CG1-CG1 4.16Å; V832-S840 CarbonylContact C-O 3.55Å; V832-S840 WeakPolarHBondContact CA-O 3.31Å; V832-I841 HydrophobicContact CG1-CG1 4.43Å; V832-I841 HydrophobicContact CG2-CG1 4.48Å; V832-I841 HydrophobicContact CG2-CG2 4.45Å
833	Q	87.8	Confident	88.1	Confident	85 Å²	85	54.3 Å²	54.3	40%	0.397	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138	174.9	-61.5	-174.6	21.5	0	0	109.3	S769 K770 V839 S840	S769-Q833 CarbonylContact O-C 3.57Å; S769-Q833 WeakPolarHBondContact O-CA 3.48Å; K770-Q833 HydrophobicContact CD-CG 4.25Å; K770-Q833 HydrophobicContact CG-CG 4.09Å; Q833-V839 WeakPolarHBondContact O-CA 3.41Å; Q833-S840 PolarHBondContact N-O 3.42Å; Q833-S840 PolarHBondContact O-N 3.39Å
834	H	82.5	Confident	87.5	Confident	14 Å²	14	55 Å²	55	7%	0.065	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	118.8	179.6	174.7	-111.4	0	0	0	108.9	L757 S769 K836 N838	L757-H834 HydrophobicContact CD1-CB 4.06Å; L757-H834 HydrophobicContact CD2-CB 3.96Å; S769-H834 WeakPolarHBondContact CA-O 3.42Å; S769-H834 PolarHBondContact O-N 3.35Å; H834-K836 PolarHBondContact CE1-O 2.89Å; H834-K836 PolarHBondContact NE2-O 3.39Å; H834-N838 WeakPolarHBondContact CA-O 3.4Å
835	H	74.9	Confident	85.7	Confident	119 Å²	119	60 Å²	60	55%	0.551	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.6	122.4	175.3	-170.8	72.2	0	0	0	109.2	S837 N838	H835-S837 PolarHBondContact O-N 2.87Å; H835-S837 VanDerWaalsContact O-N 3.08Å; H835-N838 PolarHBondContact N-O 3.4Å; H835-N838 PolarHBondContact O-N 3.32Å
836	K	72.2	Confident	85.3	Confident	139 Å²	139	60.6 Å²	60.6	60%	0.604	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	-104.9	-171.3	-60.9	180	179.2	-178.3	0	111.9	H834	H834-K836 PolarHBondContact CE1-O 2.89Å; H834-K836 PolarHBondContact NE2-O 3.39Å
837	S	70.8	Confident	84.7	Confident	10 Å²	10	59 Å²	59	7%	0.07	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	0.3	175.6	-61.7	0	0	0	0	112.8	Q671 Q672 E673 H835	Q671-S837 VanDerWaalsContact O-CB 3.29Å; Q671-S837 WeakPolarHBondContact O-CB 3.49Å; Q671-S837 PolarHBondContact O-OG 2.69Å; Q672-S837 VanDerWaalsContact CA-OG 3.27Å; Q672-S837 WeakPolarHBondContact CA-OG 3.37Å; E673-S837 PolarHBondContact N-OG 3.3Å; E673-S837 VanDerWaalsContact N-OG 3.12Å; H835-S837 PolarHBondContact O-N 2.87Å; H835-S837 VanDerWaalsContact O-N 3.08Å
838	N	75.1	Confident	84.2	Confident	55 Å²	55	56 Å²	56	29%	0.294	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	139	-176	-58.1	-47.2	0	0	0	111.1	E139 H834 H835	E139-N838 PolarHBondContact OE1-ND2 3.04Å; E139-N838 PolarHBondContact OE1-OD1 2.94Å; E139-N838 VanDerWaalsContact OE2-CG 3.32Å; E139-N838 PolarHBondContact OE2-ND2 3.04Å; H834-N838 WeakPolarHBondContact CA-O 3.4Å; H835-N838 PolarHBondContact N-O 3.4Å; H835-N838 PolarHBondContact O-N 3.32Å
839	V	82.6	Confident	83.5	Confident	19 Å²	19	58 Å²	58	12%	0.115	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.7	177.1	176.6	0	0	0	0	108.7	I670 M698 L757 V832 Q833 I841	I670-V839 HydrophobicContact CD1-CG2 3.59Å; M698-V839 HydrophobicContact CE-CG1 3.61Å; M698-V839 HydrophobicContact SD-CG1 3.97Å; M698-V839 HydrophobicContact SD-CG2 4.35Å; L757-V839 HydrophobicContact CD2-CG2 3.85Å; V832-V839 HydrophobicContact CG1-CG1 4.16Å; Q833-V839 WeakPolarHBondContact O-CA 3.41Å; V839-I841 HydrophobicContact CG1-CD1 4.29Å; V839-I841 HydrophobicContact CG1-CG1 3.93Å
840	S	85.2	Confident	82.7	Confident	58 Å²	58	59.5 Å²	59.5	41%	0.406	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126.6	169.6	-179.4	0	0	0	0	109.5	V832 Q833	V832-S840 CarbonylContact C-O 3.55Å; V832-S840 WeakPolarHBondContact CA-O 3.31Å; Q833-S840 PolarHBondContact N-O 3.42Å; Q833-S840 PolarHBondContact O-N 3.39Å
841	I	90	Very high	81.8	Confident	8 Å²	8	63.4 Å²	63.4	4%	0.041	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	116.3	174.9	-53.5	165.1	0	0	0	107.2	M698 L756 I786 F788 V814 L830 V832 V839	M698-I841 HydrophobicContact CE-CD1 4.18Å; L756-I841 HydrophobicContact CD1-CD1 3.63Å; I786-I841 HydrophobicContact CD1-CG2 3.79Å; F788-I841 HydrophobicContact CD1-CD1 4.35Å; V814-I841 HydrophobicContact CG2-CB 4.12Å; V814-I841 HydrophobicContact CG2-CD1 3.81Å; V814-I841 HydrophobicContact CG2-CG1 4.29Å; L830-I841 HydrophobicContact CB-CG2 4.45Å; L830-I841 HydrophobicContact CD1-CG2 4.31Å; V832-I841 HydrophobicContact CG1-CG1 4.43Å; V832-I841 HydrophobicContact CG2-CG1 4.48Å; V832-I841 HydrophobicContact CG2-CG2 4.45Å; V839-I841 HydrophobicContact CG1-CD1 4.29Å; V839-I841 HydrophobicContact CG1-CG1 3.93Å
842	T	88.6	Confident	81	Confident	62 Å²	62	67.4 Å²	67.4	38%	0.38	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	148	179.8	51.5	0	0	0	0	110.4	L830 S831	L830-T842 CarbonylContact C-O 3.59Å; L830-T842 WeakPolarHBondContact CA-O 3.29Å; S831-T842 PolarHBondContact N-O 2.97Å; S831-T842 PolarHBondContact O-N 2.88Å; S831-T842 PolarHBondContact O-OG1 2.97Å
843	V	86.9	Confident	80.1	Confident	27 Å²	27	72.5 Å²	72.5	16%	0.164	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124.2	172.5	-177.2	0	0	0	0	108.4	L816 I820 L828 L830 Q845	L816-V843 HydrophobicContact CD1-CG2 4.24Å; L816-V843 HydrophobicContact CD2-CG2 4.42Å; I820-V843 HydrophobicContact CD1-CB 3.6Å; I820-V843 HydrophobicContact CD1-CG1 3.53Å; I820-V843 HydrophobicContact CD1-CG2 3.71Å; L828-V843 HydrophobicContact CD1-CG1 3.64Å; L828-V843 HydrophobicContact CD2-CG1 3.88Å; L828-V843 HydrophobicContact CD2-CG2 4.16Å; L828-V843 HydrophobicContact CG-CG1 3.74Å; L830-V843 HydrophobicContact CD2-CG2 3.79Å; V843-Q845 PolarHBondContact O-N 3.23Å
844	K	84.4	Confident	79.4	Confident	106 Å²	106	71.4 Å²	71.4	46%	0.461	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	108.9	175.7	-164.5	176	-179.9	-177.1	0	107.8	E772 V829	E772-K844 VanDerWaalsContact CD-NZ 3.33Å; E772-K844 IonicContact OE1-NZ 3.48Å; E772-K844 PolarHBondContact OE1-NZ 2.98Å; E772-K844 IonicContact OE2-NZ 2.68Å; E772-K844 PolarHBondContact OE2-NZ 2.94Å; V829-K844 HydrophobicContact CB-CB 4.27Å; V829-K844 HydrophobicContact CG1-CB 4.33Å; V829-K844 HydrophobicContact CG1-CD 4.34Å; V829-K844 WeakPolarHBondContact O-CB 3.49Å; V829-K844 PolarHBondContact O-N 2.84Å
845	Q	60.3	Low	79.2	Confident	240 Å²	240	76.6 Å²	76.6	100%	1.122	38%	0.382	S	S	*	.			trans	-71.1	0	175.1	-69.7	-173.8	-1.4	0	0	111.9	V843	V843-Q845 PolarHBondContact O-N 3.23Å

Retrieved 845 of 845 residues in 257.7 ms (Link to these results)

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