A0A024E347_DROME Loading...

FI23518p1

Component of the post-replicative DNA mismatch repair system (MMR).

AlphaFold DB , UniProt , Accession A0A024E347, Species DROME (Drosophila melanogaster, Fruit fly), Gene spel1-RD, Length 939 aa.

						>A0A024E347_DROME|A0A024E347|spel1-RD
DFVYAETGAKLCDYFNHFKSGKMQAKATDSRQEPTLNMDTNARRNFIKFHAKLGEKPATTVRFFDHTDRYTVHGSDDCELVAKIVYKSTAFIGALLPDDKKETLQFVSMSKGNFELAVRELLLVRNYRVEVYVKNSSDWEIEYRGSPGNLLQFEDILFSNKEVLVGNSIISLLVKLDGGGQRRVGVASVEQNDCKFQLLEFLDDDFFTELEATVVLLGPKECLLPSIEGEYSAVKTLLDRNGVMITMPKKSGDNDLLQDLNRLLRFAKGQQEDATGLKELQLQLASNALKTAIKYLDLVNDAGNLGHYEIKQLDLNRFVHLDSAAVAALNIMPKPGTHPSMPSYRWQSVLGVLDHCRTPQGHRLMGQWVKQPLRSRNILNDRHNIVQCLLESPDTMETLSLDYLKRIPDILMLTKKLMRRKANLQDLFRIYQVILRTPKILKVLHELDNSTIESVICAPFKSFLKDLTGLKQMVEQVVDFEAIERGEYLVKASFDSRLMELQQMMTELYSKMEELQFKCSQELNLDGKNQVKLESVAKLGHHFRITVKDDSVLRKNKNYRIVDVIKGGVRFTSDKLEGYADEFASCRTRYEEQQLSIVEEIIHVAVGYAAPLTLLNNELAQLDCLVSFAIAARSAPTPYVRPKMLEEGARELVLEDVRHPCLELQEHVNFIANSVDFKKEECNMFIITGPNMGGKSTYIRSVGTAVLMAHIGAFVPCSLATISMVDSILGRVGASDNIIKGLSTFMVEMIETSGIIRTATDKSLVIIDELGRGTSTYEGCGIAWSIAEHLAKETKCFTLFATHFHEITKLAETLSTVKNCHMAAVADADDFTLLYQVRSGVMEKSFGIQVARLANFPEHVVQNAQEVYNEFEDEHVDKQKKEDKALLEKIQVAIQQLSTAGNNVDINVEDLTQLVTQFTKDIEQLDSDYFKSVLATSEA
					

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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	D	43.8	Very low	33.5	Very low	186 Å²	186	124 Å²	124	100%	0.995	66%	0.663	S	S	*	*				0	-2.4	0	-59	-18.2	0	0	0	117.8
2	F	25.9	Very low	33.3	Very low	198 Å²	198	120.5 Å²	120.5	87%	0.868	65%	0.654	S	S	*	*			trans	-106.1	2.1	169.6	-113	-92.8	0	0	0	114.8
3	V	32.2	Very low	33.3	Very low	119 Å²	119	120.1 Å²	120.1	72%	0.721	65%	0.651	S	S	*	*	S	Bend	trans	-106.8	-10.6	178	-179.2	0	0	0	0	112.2	T7	V3-T7 PolarHBondContact O-OG1 2.98Å
4	Y	33.8	Very low	33.3	Very low	197 Å²	197	124.4 Å²	124.4	77%	0.773	66%	0.655	S	S	*	*	S	Bend	trans	-93	-9.8	177.6	-89.6	-86.3	0	0	0	114.2
5	A	32.3	Very low	33.3	Very low	71 Å²	71	126.7 Å²	126.7	59%	0.587	66%	0.658	S	S	*	*	H	α-helix	trans	-86.2	-30.4	179.6	0	0	0	0	0	113.3
6	E	30.2	Very low	33.1	Very low	145 Å²	145	125.3 Å²	125.3	68%	0.678	65%	0.652	S	S	*	*	H	α-helix	trans	-80.1	-21.9	-179.7	-87.3	-169.7	141.5	0	0	114
7	T	36.7	Very low	33	Very low	80 Å²	80	127.8 Å²	127.8	49%	0.491	66%	0.659	S	S	.	*	H	α-helix	trans	-82.5	-30.2	175.8	28.8	0	0	0	0	112.5	V3 L11	V3-T7 PolarHBondContact O-OG1 2.98Å; T7-L11 PolarHBondContact O-N 3.26Å
8	G	33.3	Very low	33	Very low	40 Å²	40	130.8 Å²	130.8	41%	0.412	67%	0.667	S	S	.	*	H	α-helix	trans	-68.8	-37.3	174.2	0	0	0	0	0	113.7	C12	G8-C12 PolarHBondContact O-N 3.41Å
9	A	31.9	Very low	32.8	Very low	62 Å²	62	134.2 Å²	134.2	51%	0.512	68%	0.676	S	S	.	*	H	α-helix	trans	-70.3	-34.7	178.9	0	0	0	0	0	113	D13	A9-D13 PolarHBondContact O-N 2.97Å
10	K	33.7	Very low	32.6	Very low	152 Å²	152	131.8 Å²	131.8	66%	0.661	67%	0.673	S	S	*	*	H	α-helix	trans	-75.1	-24	178.4	-72.6	179	179.1	171.6	0	113.9	Y14	K10-Y14 PolarHBondContact O-N 3.45Å
11	L	34.6	Very low	32.5	Very low	114 Å²	114	129 Å²	129	60%	0.597	68%	0.676	S	S	*	*	H	α-helix	trans	-80.6	-31	176.8	-97.2	147.6	0	0	0	112.9	T7 Y14 F15	T7-L11 PolarHBondContact O-N 3.26Å; L11-Y14 PolarHBondContact O-N 2.65Å; L11-F15 PolarHBondContact O-N 3.31Å
12	C	31.9	Very low	32	Very low	82 Å²	82	129.9 Å²	129.9	55%	0.554	67%	0.671	S	S	*	*	H	α-helix	trans	-71.3	-34	172.8	-80.5	0	0	0	0	113	G8 Y14 F15 N16	G8-C12 PolarHBondContact O-N 3.41Å; C12-Y14 VanDerWaalsContact C-N 3.35Å; C12-F15 PolarHBondContact O-N 3.04Å; C12-N16 WeakPolarHBondContact O-CB 3.42Å; C12-N16 PolarHBondContact O-N 2.82Å; C12-N16 PolarHBondContact O-ND2 2.77Å
13	D	32.6	Very low	31.9	Very low	115 Å²	115	129.6 Å²	129.6	62%	0.615	68%	0.675	S	S	*	*	H	α-helix	trans	-69.1	-32.9	173.7	-79.8	-19.3	0	0	0	112.3	A9 N16 H17	A9-D13 PolarHBondContact O-N 2.97Å; D13-N16 PolarHBondContact O-N 3.42Å; D13-H17 PolarHBondContact O-N 3.45Å
14	Y	33.5	Very low	31.6	Very low	181 Å²	181	132.9 Å²	132.9	71%	0.71	68%	0.683	S	S	*	*	H	α-helix	trans	-67.5	-35.5	175.6	-135.5	-91	0	0	0	112.7	K10 L11 C12	K10-Y14 PolarHBondContact O-N 3.45Å; L11-Y14 PolarHBondContact O-N 2.65Å; C12-Y14 VanDerWaalsContact C-N 3.35Å
15	F	32.7	Very low	31.3	Very low	158 Å²	158	127.5 Å²	127.5	69%	0.693	68%	0.679	S	S	*	*	H	α-helix	trans	-78.9	-29.8	176.5	-100.3	-85.1	0	0	0	113.5	L11 C12	L11-F15 PolarHBondContact O-N 3.31Å; C12-F15 PolarHBondContact O-N 3.04Å
16	N	31	Very low	31	Very low	105 Å²	105	134 Å²	134	56%	0.561	69%	0.694	S	S	*	*	H	α-helix	trans	-78.8	-26.6	176.6	-76.7	-28	0	0	0	113	C12 D13 F18 K19	C12-N16 WeakPolarHBondContact O-CB 3.42Å; C12-N16 PolarHBondContact O-N 2.82Å; C12-N16 PolarHBondContact O-ND2 2.77Å; D13-N16 PolarHBondContact O-N 3.42Å; N16-F18 VanDerWaalsContact C-N 3.27Å; N16-F18 PolarHBondContact O-N 3.19Å; N16-K19 PolarHBondContact O-N 3.05Å
17	H	30.8	Very low	30.8	Very low	167 Å²	167	130.5 Å²	130.5	77%	0.773	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-19.3	172.8	-122.3	39.5	0	0	0	114	D13	D13-H17 PolarHBondContact O-N 3.45Å
18	F	32.6	Very low	30.2	Very low	183 Å²	183	133.2 Å²	133.2	80%	0.803	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-13.4	176.1	-116.3	-89.1	0	0	0	114	N16	N16-F18 VanDerWaalsContact C-N 3.27Å; N16-F18 PolarHBondContact O-N 3.19Å
19	K	30.3	Very low	30	Very low	194 Å²	194	136.3 Å²	136.3	84%	0.843	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	-5.2	-176.3	-91.2	-176	175.7	178.2	0	115.6	N16	N16-K19 PolarHBondContact O-N 3.05Å
20	S	28.8	Very low	29.9	Very low	87 Å²	87	138.5 Å²	138.5	61%	0.608	73%	0.725	S	S	*	*	S	Bend	trans	-137.2	88.8	178.3	68	0	0	0	0	114.1
21	G	29.8	Very low	30.3	Very low	72 Å²	72	140.8 Å²	140.8	74%	0.742	73%	0.729	S	S	*	*			trans	73.5	121.8	140.6	0	0	0	0	0	120.2
22	K	32.6	Very low	30.5	Very low	205 Å²	205	143.9 Å²	143.9	89%	0.891	74%	0.741	S	S	*	*			trans	65.6	80.9	144.5	-61.9	-180	177.4	177	0	117.3
23	M	25.4	Very low	31.1	Very low	193 Å²	193	147.1 Å²	147.1	95%	0.951	75%	0.748	S	S	*	*			trans	-107.5	98.2	138.1	-90.6	-167.8	129.3	0	0	109	A25	M23-A25 PolarHBondContact O-N 3.36Å
24	Q	26.1	Very low	32	Very low	188 Å²	188	143 Å²	143	88%	0.879	73%	0.727	S	S	*	*			trans	-62.4	90.4	154.9	-81.8	177.5	-20.7	0	0	107.2	K26	Q24-K26 PolarHBondContact O-N 3.25Å; Q24-K26 VanDerWaalsContact O-N 3.15Å
25	A	26.5	Very low	33.1	Very low	84 Å²	84	137.5 Å²	137.5	69%	0.694	71%	0.713	S	S	*	*			trans	-58.6	115.6	150.5	0	0	0	0	0	105.6	M23 A27	M23-A25 PolarHBondContact O-N 3.36Å; A25-A27 PolarHBondContact O-N 2.7Å
26	K	25.5	Very low	34.7	Very low	207 Å²	207	130.8 Å²	130.8	90%	0.9	68%	0.684	S	S	*	*			trans	-65.1	69.1	161.9	-80.9	-179.8	174	176.4	0	107.9	Q24 T28	Q24-K26 PolarHBondContact O-N 3.25Å; Q24-K26 VanDerWaalsContact O-N 3.15Å; K26-T28 PolarHBondContact O-N 3.25Å
27	A	26.4	Very low	36.3	Very low	71 Å²	71	132.9 Å²	132.9	59%	0.587	70%	0.695	S	S	*	*			trans	-63.7	115.2	145.6	0	0	0	0	0	104.1	A25 D29	A25-A27 PolarHBondContact O-N 2.7Å; A27-D29 PolarHBondContact O-N 2.86Å
28	T	25.4	Very low	38.2	Very low	137 Å²	137	126.6 Å²	126.6	84%	0.84	67%	0.666	S	S	*	*			trans	-54.9	92.9	159.5	37.3	0	0	0	0	106.7	K26 S30	K26-T28 PolarHBondContact O-N 3.25Å; T28-S30 PolarHBondContact O-N 3.44Å
29	D	28.9	Very low	40.2	Very low	106 Å²	106	122.8 Å²	122.8	57%	0.567	65%	0.654	S	S	*	*			trans	-58.3	89.2	170.6	-101	-24.8	0	0	0	107	A27 R31	A27-D29 PolarHBondContact O-N 2.86Å; D29-R31 HydrophobicContact CB-CG 4.13Å; D29-R31 VanDerWaalsContact CG-NE 3.25Å; D29-R31 PolarHBondContact O-N 2.76Å; D29-R31 VanDerWaalsContact OD1-CG 3.31Å; D29-R31 WeakPolarHBondContact OD1-CG 3.48Å; D29-R31 IonicContact OD1-NE 3.38Å; D29-R31 PolarHBondContact OD1-NE 2.93Å; D29-R31 VanDerWaalsContact OD1-NE 3.08Å; D29-R31 IonicContact OD2-CZ 2.74Å; D29-R31 IonicContact OD2-NE 3Å; D29-R31 PolarHBondContact OD2-NE 3.29Å; D29-R31 IonicContact OD2-NH2 3.35Å; D29-R31 PolarHBondContact OD2-NH2 2.94Å
30	S	29.2	Very low	42.3	Very low	107 Å²	107	117.4 Å²	117.4	75%	0.748	64%	0.638	S	S	*	*			trans	-81	67.3	142.6	63.5	0	0	0	0	106.8	T28 Q32	T28-S30 PolarHBondContact O-N 3.44Å; S30-Q32 PolarHBondContact O-N 3.38Å
31	R	41.4	Very low	44.5	Very low	201 Å²	201	118 Å²	118	76%	0.758	63%	0.634	S	S	*	*			trans	-68	73.3	159.6	-75.6	177.9	-168	-169.3	2.5	107.3	D29 E33	D29-R31 HydrophobicContact CB-CG 4.13Å; D29-R31 VanDerWaalsContact CG-NE 3.25Å; D29-R31 PolarHBondContact O-N 2.76Å; D29-R31 VanDerWaalsContact OD1-CG 3.31Å; D29-R31 WeakPolarHBondContact OD1-CG 3.48Å; D29-R31 IonicContact OD1-NE 3.38Å; D29-R31 PolarHBondContact OD1-NE 2.93Å; D29-R31 VanDerWaalsContact OD1-NE 3.08Å; D29-R31 IonicContact OD2-CZ 2.74Å; D29-R31 IonicContact OD2-NE 3Å; D29-R31 PolarHBondContact OD2-NE 3.29Å; D29-R31 IonicContact OD2-NH2 3.35Å; D29-R31 PolarHBondContact OD2-NH2 2.94Å; R31-E33 VanDerWaalsContact C-N 3.3Å; R31-E33 PolarHBondContact O-N 2.97Å; R31-E33 VanDerWaalsContact O-N 3.16Å
32	Q	39.1	Very low	46.7	Very low	179 Å²	179	115.8 Å²	115.8	84%	0.836	61%	0.609	S	S	*	*			trans	-72	101.1	155.2	-81.6	-176.8	-13.4	0	0	105.1	S30	S30-Q32 PolarHBondContact O-N 3.38Å
33	E	45.6	Very low	48.9	Very low	150 Å²	150	109.8 Å²	109.8	70%	0.701	58%	0.581	S	S	*	*			trans	-42.1	130.5	159.2	-75	178.8	167.9	0	0	107.6	R31 T35	R31-E33 VanDerWaalsContact C-N 3.3Å; R31-E33 PolarHBondContact O-N 2.97Å; R31-E33 VanDerWaalsContact O-N 3.16Å; E33-T35 HydrophobicContact CB-CG2 3.83Å; E33-T35 PolarHBondContact O-N 3.04Å
34	P	51.3	Low	51.4	Low	27 Å²	27	105.6 Å²	105.6	18%	0.175	55%	0.554	C	S	.	*			trans	-71.4	76	171.3	30	-33	0	0	0	108.1	L36	P34-L36 PolarHBondContact O-N 3.18Å
35	T	56.1	Low	54.1	Low	67 Å²	67	101.5 Å²	101.5	41%	0.411	54%	0.538	S	S	.	.			trans	-72.7	117.2	-179.8	50.3	0	0	0	0	109.1	E33 N37	E33-T35 HydrophobicContact CB-CG2 3.83Å; E33-T35 PolarHBondContact O-N 3.04Å; T35-N37 PolarHBondContact O-N 3.44Å; T35-N37 VanDerWaalsContact O-N 3.08Å
36	L	65.3	Low	56.9	Low	16 Å²	16	97.6 Å²	97.6	8%	0.084	51%	0.505	C	S	.	.			trans	-72.1	96	166.9	-169.8	68.5	0	0	0	108.1	P34 M38 T71 L95 F106	P34-L36 PolarHBondContact O-N 3.18Å; L36-M38 VanDerWaalsContact C-N 3.28Å; L36-M38 HydrophobicContact CD2-CG 4.24Å; L36-M38 HydrophobicContact CD2-SD 3.54Å; L36-M38 VanDerWaalsContact CD2-SD 3.54Å; L36-M38 HydrophobicContact CG-CG 3.97Å; L36-M38 HydrophobicContact CG-SD 3.94Å; L36-M38 PolarHBondContact O-N 3.12Å; L36-T71 HydrophobicContact CD1-CG2 3.5Å; L36-T71 HydrophobicContact CD2-CG2 4.06Å; L36-T71 HydrophobicContact CG-CG2 4.33Å; L36-L95 HydrophobicContact CD2-CD1 4.27Å; L36-F106 HydrophobicContact CB-CD2 4.4Å; L36-F106 HydrophobicContact CB-CE2 3.84Å; L36-F106 HydrophobicContact CB-CZ 4.23Å
37	N	65.1	Low	59.7	Low	149 Å²	149	89.4 Å²	89.4	80%	0.797	47%	0.471	S	S	*	.			trans	-76.9	79.1	-179.6	-78.5	-17.8	0	0	0	110.4	T35	T35-N37 PolarHBondContact O-N 3.44Å; T35-N37 VanDerWaalsContact O-N 3.08Å
38	M	70.1	Confident	62.4	Low	35 Å²	35	92.1 Å²	92.1	17%	0.172	47%	0.47	C	S	.	.			trans	-104.5	136.3	169.1	-67.8	177.5	78.8	0	0	109.9	L36 A42 R43 F46	L36-M38 VanDerWaalsContact C-N 3.28Å; L36-M38 HydrophobicContact CD2-CG 4.24Å; L36-M38 HydrophobicContact CD2-SD 3.54Å; L36-M38 VanDerWaalsContact CD2-SD 3.54Å; L36-M38 HydrophobicContact CG-CG 3.97Å; L36-M38 HydrophobicContact CG-SD 3.94Å; L36-M38 PolarHBondContact O-N 3.12Å; M38-A42 HydrophobicContact CB-CB 4.49Å; M38-A42 HydrophobicContact CE-CB 3.86Å; M38-A42 WeakPolarHBondContact CE-O 3.24Å; M38-R43 HydrophobicContact CB-CB 4.46Å; M38-F46 HydrophobicContact CE-CB 3.8Å; M38-F46 HydrophobicContact CE-CG 4.28Å
39	D	75.7	Confident	65.4	Low	104 Å²	104	86.6 Å²	86.6	56%	0.556	43%	0.434	S	S	*	.			trans	-65.2	163	169	73.6	2.2	0	0	0	111.1	N41 A42 R43	D39-N41 PolarHBondContact O-N 3.24Å; D39-A42 PolarHBondContact O-N 3.11Å; D39-A42 WeakPolarHBondContact OD1-CA 2.95Å; D39-A42 WeakPolarHBondContact OD1-CB 3.46Å; D39-A42 PolarHBondContact OD1-N 2.88Å; D39-R43 WeakPolarHBondContact O-CB 3.47Å; D39-R43 PolarHBondContact O-N 3.48Å
40	T	73.3	Confident	68.1	Low	81 Å²	81	83.7 Å²	83.7	50%	0.497	42%	0.417	S	S	.	.	H	α-helix	trans	-60.4	-35.1	-173.8	-46.4	0	0	0	0	112.3	R44	T40-R44 WeakPolarHBondContact O-CB 3.47Å; T40-R44 PolarHBondContact O-N 2.81Å; T40-R44 VanDerWaalsContact O-N 3.08Å
41	N	75.3	Confident	70.8	Confident	99 Å²	99	82.2 Å²	82.2	53%	0.529	41%	0.412	S	S	.	.	H	α-helix	trans	-73.3	-44.6	179.6	-76.9	-23.3	0	0	0	112.2	D39 R43 R44 N45	D39-N41 PolarHBondContact O-N 3.24Å; N41-R43 VanDerWaalsContact C-N 3.33Å; N41-R43 PolarHBondContact O-N 3.33Å; N41-R44 PolarHBondContact O-N 3.2Å; N41-N45 WeakPolarHBondContact O-CB 3.36Å; N41-N45 VanDerWaalsContact O-CG 3.22Å; N41-N45 PolarHBondContact O-N 3.44Å; N41-N45 PolarHBondContact O-ND2 3.49Å
42	A	76.5	Confident	73	Confident	25 Å²	25	80.8 Å²	80.8	21%	0.207	41%	0.411	C	S	.	.	H	α-helix	trans	-64	-39.9	175.5	0	0	0	0	0	111.1	M38 D39 N45 F46	M38-A42 HydrophobicContact CB-CB 4.49Å; M38-A42 HydrophobicContact CE-CB 3.86Å; M38-A42 WeakPolarHBondContact CE-O 3.24Å; D39-A42 PolarHBondContact O-N 3.11Å; D39-A42 WeakPolarHBondContact OD1-CA 2.95Å; D39-A42 WeakPolarHBondContact OD1-CB 3.46Å; D39-A42 PolarHBondContact OD1-N 2.88Å; A42-N45 PolarHBondContact O-N 2.98Å; A42-F46 VanDerWaalsContact O-CB 3.32Å; A42-F46 WeakPolarHBondContact O-CB 3.42Å; A42-F46 PolarHBondContact O-N 2.62Å
43	R	78.1	Confident	75.1	Confident	80 Å²	80	74 Å²	74	30%	0.302	38%	0.38	S	S	.	.	H	α-helix	trans	-58.1	-49.9	173.9	178.8	178.1	-59.6	-176.5	-1.2	111.3	M38 D39 N41 N45 F46 I47 L95 L96	M38-R43 HydrophobicContact CB-CB 4.46Å; D39-R43 WeakPolarHBondContact O-CB 3.47Å; D39-R43 PolarHBondContact O-N 3.48Å; N41-R43 VanDerWaalsContact C-N 3.33Å; N41-R43 PolarHBondContact O-N 3.33Å; R43-N45 VanDerWaalsContact C-N 3.35Å; R43-N45 PolarHBondContact O-N 2.88Å; R43-F46 PolarHBondContact O-N 3.38Å; R43-I47 HydrophobicContact CG-CD1 4.02Å; R43-I47 WeakPolarHBondContact O-CG1 3.49Å; R43-I47 PolarHBondContact O-N 3.37Å; R43-L95 HydrophobicContact CG-CD2 3.72Å; R43-L96 WeakPolarHBondContact CD-O 3.22Å
44	R	77.7	Confident	76.8	Confident	104 Å²	104	69.1 Å²	69.1	39%	0.392	37%	0.37	S	S	.	.	H	α-helix	trans	-62.5	-41.7	179.4	-169.3	-175.3	-67.4	154.2	-5.9	111.9	T40 N41 K48 D98	T40-R44 WeakPolarHBondContact O-CB 3.47Å; T40-R44 PolarHBondContact O-N 2.81Å; T40-R44 VanDerWaalsContact O-N 3.08Å; N41-R44 PolarHBondContact O-N 3.2Å; R44-K48 WeakPolarHBondContact O-CG 3.36Å; R44-K48 PolarHBondContact O-N 2.83Å; R44-K48 VanDerWaalsContact O-N 3.16Å; R44-D98 IonicContact CZ-OD2 3.66Å; R44-D98 IonicContact NE-OD2 3.92Å; R44-D98 IonicContact NH2-OD2 2.67Å; R44-D98 PolarHBondContact NH2-OD2 2.86Å
45	N	82.9	Confident	78.1	Confident	102 Å²	102	77.2 Å²	77.2	55%	0.545	41%	0.406	S	S	.	.	H	α-helix	trans	-67.2	-39	178.2	-70.6	-14.2	0	0	0	111.8	N41 A42 R43 K48 F49	N41-N45 WeakPolarHBondContact O-CB 3.36Å; N41-N45 VanDerWaalsContact O-CG 3.22Å; N41-N45 PolarHBondContact O-N 3.44Å; N41-N45 PolarHBondContact O-ND2 3.49Å; A42-N45 PolarHBondContact O-N 2.98Å; R43-N45 VanDerWaalsContact C-N 3.35Å; R43-N45 PolarHBondContact O-N 2.88Å; N45-K48 PolarHBondContact O-N 3.03Å; N45-F49 WeakPolarHBondContact O-CB 3.43Å; N45-F49 PolarHBondContact O-N 3.43Å
46	F	85.9	Confident	79.5	Confident	2 Å²	2	76.8 Å²	76.8	1%	0.009	40%	0.398	C	S	.	.	H	α-helix	trans	-65.6	-46.3	176.3	-178.6	-93.6	0	0	0	112.5	M38 A42 R43 K48 F49 H50 F64 H73 L104 W139	M38-F46 HydrophobicContact CE-CB 3.8Å; M38-F46 HydrophobicContact CE-CG 4.28Å; A42-F46 VanDerWaalsContact O-CB 3.32Å; A42-F46 WeakPolarHBondContact O-CB 3.42Å; A42-F46 PolarHBondContact O-N 2.62Å; R43-F46 PolarHBondContact O-N 3.38Å; F46-K48 VanDerWaalsContact C-N 3.27Å; F46-K48 PolarHBondContact O-N 2.97Å; F46-F49 WeakPolarHBondContact O-CB 3.39Å; F46-F49 PolarHBondContact O-N 2.92Å; F46-F49 VanDerWaalsContact O-N 3.07Å; F46-H50 HydrophobicContact CE1-CB 4.39Å; F46-H50 WeakPolarHBondContact O-CB 3.43Å; F46-H50 PolarHBondContact O-N 3.47Å; F46-F64 HydrophobicContact CE2-CB 4.38Å; F46-F64 AromaticContact CE2-CD1 3.7Å; F46-F64 HydrophobicContact CE2-CD1 3.7Å; F46-F64 HydrophobicContact CE2-CE1 4.15Å; F46-F64 AromaticContact CE2-CG 3.95Å; F46-F64 HydrophobicContact CE2-CG 3.95Å; F46-F64 AromaticContact CZ-CD1 3.98Å; F46-F64 HydrophobicContact CZ-CD1 3.98Å; F46-F64 HydrophobicContact CZ-CD2 4.1Å; F46-F64 HydrophobicContact CZ-CE1 4.22Å; F46-F64 HydrophobicContact CZ-CE2 4.3Å; F46-F64 AromaticContact CZ-CG 3.92Å; F46-F64 HydrophobicContact CZ-CG 3.92Å; F46-F64 HydrophobicContact CZ-CZ 4.35Å; F46-H73 AromaticContact CE1-CD2 3.79Å; F46-H73 AromaticContact CE1-CE1 3.34Å; F46-H73 WeakPolarHBondContact CE1-CE1 3.5Å; F46-H73 AromaticContact CE1-CG 3.9Å; F46-H73 AromaticContact CE1-ND1 3.62Å; F46-H73 AromaticContact CE1-NE2 3.44Å; F46-H73 WeakPolarHBondContact CE1-NE2 3.09Å; F46-H73 AromaticContact CZ-CD2 3.56Å; F46-H73 AromaticContact CZ-CE1 3.73Å; F46-H73 AromaticContact CZ-NE2 3.3Å; F46-H73 VanDerWaalsContact CZ-NE2 3.3Å; F46-H73 WeakPolarHBondContact CZ-NE2 3.45Å; F46-L104 HydrophobicContact CD1-CD2 4.4Å; F46-L104 HydrophobicContact CE1-CD2 4.07Å; F46-W139 AromaticContact CD2-CE2 3.66Å; F46-W139 AromaticContact CD2-CZ2 3.67Å; F46-W139 HydrophobicContact CD2-CZ2 3.67Å; F46-W139 AromaticContact CD2-NE1 3.54Å; F46-W139 HydrophobicContact CE2-CD2 4.49Å; F46-W139 AromaticContact CE2-CE2 3.86Å; F46-W139 HydrophobicContact CE2-CH2 4.37Å; F46-W139 AromaticContact CE2-CZ2 3.79Å; F46-W139 HydrophobicContact CE2-CZ2 3.79Å
47	I	84.3	Confident	80.4	Confident	36 Å²	36	79.3 Å²	79.3	19%	0.185	42%	0.416	C	S	.	.	H	α-helix	trans	-58.4	-43.3	176.8	-67.1	168.1	0	0	0	110.3	R43 F49 H50 A51 L95 P97 L104	R43-I47 HydrophobicContact CG-CD1 4.02Å; R43-I47 WeakPolarHBondContact O-CG1 3.49Å; R43-I47 PolarHBondContact O-N 3.37Å; I47-F49 VanDerWaalsContact C-N 3.35Å; I47-F49 PolarHBondContact O-N 3.07Å; I47-H50 PolarHBondContact O-N 3.47Å; I47-A51 WeakPolarHBondContact O-CB 3.37Å; I47-A51 PolarHBondContact O-N 3.37Å; I47-L95 HydrophobicContact CD1-CB 4.48Å; I47-P97 HydrophobicContact CD1-CB 4.21Å; I47-P97 HydrophobicContact CD1-CG 4.45Å; I47-L104 HydrophobicContact CG1-CD2 4.3Å
48	K	83.7	Confident	81.2	Confident	127 Å²	127	76 Å²	76	55%	0.552	41%	0.409	S	S	*	.	H	α-helix	trans	-62.4	-39.7	175.1	-74.9	179.1	179	-176.5	0	112.7	R44 N45 F46 K52	R44-K48 WeakPolarHBondContact O-CG 3.36Å; R44-K48 PolarHBondContact O-N 2.83Å; R44-K48 VanDerWaalsContact O-N 3.16Å; N45-K48 PolarHBondContact O-N 3.03Å; F46-K48 VanDerWaalsContact C-N 3.27Å; F46-K48 PolarHBondContact O-N 2.97Å; K48-K52 WeakPolarHBondContact O-CG 3.3Å; K48-K52 PolarHBondContact O-N 3.48Å
49	F	87.1	Confident	82	Confident	22 Å²	22	77.1 Å²	77.1	10%	0.096	42%	0.418	C	S	.	.	H	α-helix	trans	-66.2	-49.4	176.1	169.8	-95	0	0	0	111.3	N45 F46 I47 A51 K52 L53 F64 Y132 D138 W139	N45-F49 WeakPolarHBondContact O-CB 3.43Å; N45-F49 PolarHBondContact O-N 3.43Å; F46-F49 WeakPolarHBondContact O-CB 3.39Å; F46-F49 PolarHBondContact O-N 2.92Å; F46-F49 VanDerWaalsContact O-N 3.07Å; I47-F49 VanDerWaalsContact C-N 3.35Å; I47-F49 PolarHBondContact O-N 3.07Å; F49-A51 VanDerWaalsContact C-N 3.28Å; F49-A51 PolarHBondContact O-N 3.43Å; F49-K52 WeakPolarHBondContact O-CA 3.31Å; F49-K52 WeakPolarHBondContact O-CB 3.35Å; F49-K52 PolarHBondContact O-N 3.46Å; F49-L53 HydrophobicContact CD1-CD1 4.46Å; F49-L53 HydrophobicContact CE1-CD1 3.73Å; F49-L53 HydrophobicContact CE1-CD2 4.06Å; F49-L53 HydrophobicContact CE1-CG 3.93Å; F49-L53 HydrophobicContact CE2-CD2 4.33Å; F49-L53 HydrophobicContact CZ-CD1 4.17Å; F49-L53 HydrophobicContact CZ-CD2 3.62Å; F49-L53 HydrophobicContact CZ-CG 3.98Å; F49-L53 PolarHBondContact O-N 2.92Å; F49-F64 HydrophobicContact CE1-CE1 4Å; F49-Y132 HydrophobicContact CE1-CD1 4.42Å; F49-Y132 HydrophobicContact CZ-CD1 4.09Å; F49-Y132 HydrophobicContact CZ-CE1 4.15Å; F49-D138 WeakPolarHBondContact CD2-OD1 3.42Å; F49-W139 HydrophobicContact CD1-CB 3.9Å; F49-W139 AromaticContact CD1-CD1 3.69Å; F49-W139 AromaticContact CD1-CG 3.9Å; F49-W139 HydrophobicContact CD1-CG 3.9Å; F49-W139 HydrophobicContact CD2-CB 4.12Å; F49-W139 HydrophobicContact CE1-CB 3.38Å; F49-W139 AromaticContact CE1-CG 3.8Å; F49-W139 HydrophobicContact CE1-CG 3.8Å; F49-W139 HydrophobicContact CE2-CB 3.64Å; F49-W139 HydrophobicContact CG-CB 4.26Å; F49-W139 AromaticContact CG-CD1 3.84Å; F49-W139 HydrophobicContact CG-CG 4.33Å; F49-W139 HydrophobicContact CZ-CB 3.26Å; F49-W139 HydrophobicContact CZ-CG 4.15Å
50	H	87.4	Confident	82.7	Confident	45 Å²	45	72.4 Å²	72.4	21%	0.208	39%	0.393	C	S	.	.	H	α-helix	trans	-57.7	-41.4	179.8	-175.8	-83.5	0	0	0	111.7	F46 I47 K52 L53 L104	F46-H50 HydrophobicContact CE1-CB 4.39Å; F46-H50 WeakPolarHBondContact O-CB 3.43Å; F46-H50 PolarHBondContact O-N 3.47Å; I47-H50 PolarHBondContact O-N 3.47Å; H50-K52 PolarHBondContact O-N 3.23Å; H50-L53 WeakPolarHBondContact O-CB 3.4Å; H50-L53 PolarHBondContact O-N 3.1Å; H50-L53 VanDerWaalsContact O-N 3.15Å; H50-L104 HydrophobicContact CB-CD2 4.3Å
51	A	84.8	Confident	83.7	Confident	76 Å²	76	68.6 Å²	68.6	63%	0.628	37%	0.369	S	S	*	.	H	α-helix	trans	-61.3	-28	175.2	0	0	0	0	0	113.6	I47 F49	I47-A51 WeakPolarHBondContact O-CB 3.37Å; I47-A51 PolarHBondContact O-N 3.37Å; F49-A51 VanDerWaalsContact C-N 3.28Å; F49-A51 PolarHBondContact O-N 3.43Å
52	K	87	Confident	84.6	Confident	170 Å²	170	65.1 Å²	65.1	74%	0.739	35%	0.349	S	S	*	.	H	α-helix	trans	-77.6	-20.1	177	-68.6	173.8	-178.2	-177.3	0	113.8	K48 F49 H50 G54	K48-K52 WeakPolarHBondContact O-CG 3.3Å; K48-K52 PolarHBondContact O-N 3.48Å; F49-K52 WeakPolarHBondContact O-CA 3.31Å; F49-K52 WeakPolarHBondContact O-CB 3.35Å; F49-K52 PolarHBondContact O-N 3.46Å; H50-K52 PolarHBondContact O-N 3.23Å; K52-G54 PolarHBondContact O-N 3.28Å
53	L	84.3	Confident	85.5	Confident	36 Å²	36	63.9 Å²	63.9	19%	0.188	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.9	-178.6	-70.3	177.2	0	0	0	113.3	F49 H50 F64 Y132	F49-L53 HydrophobicContact CD1-CD1 4.46Å; F49-L53 HydrophobicContact CE1-CD1 3.73Å; F49-L53 HydrophobicContact CE1-CD2 4.06Å; F49-L53 HydrophobicContact CE1-CG 3.93Å; F49-L53 HydrophobicContact CE2-CD2 4.33Å; F49-L53 HydrophobicContact CZ-CD1 4.17Å; F49-L53 HydrophobicContact CZ-CD2 3.62Å; F49-L53 HydrophobicContact CZ-CG 3.98Å; F49-L53 PolarHBondContact O-N 2.92Å; H50-L53 WeakPolarHBondContact O-CB 3.4Å; H50-L53 PolarHBondContact O-N 3.1Å; H50-L53 VanDerWaalsContact O-N 3.15Å; L53-F64 HydrophobicContact CD1-CE1 4.1Å; L53-F64 HydrophobicContact CD1-CZ 3.89Å; L53-Y132 HydrophobicContact CD1-CE1 4.47Å; L53-Y132 HydrophobicContact CD2-CE1 3.76Å
54	G	80.3	Confident	86.2	Confident	49 Å²	49	60.1 Å²	60.1	51%	0.505	33%	0.325	S	S	.	.			trans	65	-175.7	-179.9	0	0	0	0	0	113.6	K52 R62	K52-G54 PolarHBondContact O-N 3.28Å; G54-R62 PolarHBondContact O-NH1 3.44Å
55	E	80.1	Confident	86.9	Confident	197 Å²	197	56.2 Å²	56.2	92%	0.921	31%	0.311	S	S	*	.			trans	-64.8	149.4	176.2	-68.3	-174.7	172.6	0	0	111.7
56	K	85.3	Confident	87.1	Confident	57 Å²	57	53.2 Å²	53.2	25%	0.248	29%	0.294	C	S	.	.			trans	-128.8	157.2	175.8	64.3	179.3	177.1	62.9	0	109.5	T60 R62 D77	K56-T60 WeakPolarHBondContact CD-O 3.41Å; K56-T60 VanDerWaalsContact CE-O 3.3Å; K56-T60 WeakPolarHBondContact CE-O 3.27Å; K56-T60 PolarHBondContact NZ-O 3.41Å; K56-R62 HydrophobicContact CD-CG 3.87Å; K56-D77 WeakPolarHBondContact CE-OD2 3.48Å; K56-D77 IonicContact NZ-OD1 3.93Å; K56-D77 PolarHBondContact NZ-OD1 2.84Å; K56-D77 IonicContact NZ-OD2 2.96Å; K56-D77 PolarHBondContact NZ-OD2 3.42Å
57	P	82.8	Confident	86.8	Confident	70 Å²	70	59.9 Å²	59.9	46%	0.455	34%	0.335	S	S	.	.			trans	-55.6	143.3	169.3	-22.7	33.6	0	0	0	111.2	T59 T60	P57-T59 PolarHBondContact O-N 2.94Å; P57-T59 VanDerWaalsContact O-N 3.09Å; P57-T60 PolarHBondContact O-N 3.45Å
58	A	83.1	Confident	86.7	Confident	79 Å²	79	64 Å²	64	65%	0.653	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-21	177.3	0	0	0	0	0	113.4
59	T	86.8	Confident	86.9	Confident	59 Å²	59	61.1 Å²	61.1	36%	0.362	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	3.3	177	53.1	0	0	0	0	113.9	P57 Y127 R128	P57-T59 PolarHBondContact O-N 2.94Å; P57-T59 VanDerWaalsContact O-N 3.09Å; T59-Y127 HydrophobicContact CG2-CD1 4.47Å; T59-Y127 HydrophobicContact CG2-CE1 4.23Å; T59-Y127 CarbonylContact O-C 3.54Å; T59-Y127 VanDerWaalsContact O-CA 3.3Å; T59-Y127 WeakPolarHBondContact O-CA 3.23Å; T59-Y127 VanDerWaalsContact O-CB 3.26Å; T59-Y127 WeakPolarHBondContact O-CB 3.43Å; T59-R128 PolarHBondContact O-N 2.93Å
60	T	90.2	Very high	87.2	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.031	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.9	174.6	-60.5	0	0	0	0	109.6	K56 P57 R128 E130	K56-T60 WeakPolarHBondContact CD-O 3.41Å; K56-T60 VanDerWaalsContact CE-O 3.3Å; K56-T60 WeakPolarHBondContact CE-O 3.27Å; K56-T60 PolarHBondContact NZ-O 3.41Å; P57-T60 PolarHBondContact O-N 3.45Å; T60-R128 CarbonylContact C-O 3.57Å; T60-R128 WeakPolarHBondContact CA-O 3.48Å; T60-R128 HydrophobicContact CG2-CB 4.23Å; T60-E130 HydrophobicContact CG2-CG 4.03Å
61	V	94.2	Very high	87.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.5	175.1	-178	0	0	0	0	109.8	F63 V72 D77 L80 V81 L121 Y127 R128 V129 E130	V61-F63 HydrophobicContact CB-CE2 4.17Å; V61-F63 HydrophobicContact CG1-CD2 4.12Å; V61-F63 HydrophobicContact CG1-CE2 3.58Å; V61-F63 HydrophobicContact CG1-CZ 4Å; V61-V72 HydrophobicContact CG1-CG1 4.26Å; V61-D77 HydrophobicContact CG1-CB 4.44Å; V61-L80 HydrophobicContact CG2-CD2 3.98Å; V61-V81 HydrophobicContact CG1-CG2 4.18Å; V61-L121 HydrophobicContact CB-CD1 3.98Å; V61-L121 HydrophobicContact CG1-CD1 4.13Å; V61-L121 HydrophobicContact CG2-CD1 3.94Å; V61-L121 HydrophobicContact CG2-CD2 3.95Å; V61-Y127 HydrophobicContact CG2-CD2 4.01Å; V61-R128 PolarHBondContact N-O 3.12Å; V61-V129 WeakPolarHBondContact O-CA 3.31Å; V61-E130 PolarHBondContact O-N 2.84Å
62	R	94.9	Very high	87.9	Confident	26 Å²	26	55.6 Å²	55.6	10%	0.098	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120	-179.9	-64.8	-179.3	175.1	149.6	-5.9	110.9	G54 K56 F64 E130 Y132	G54-R62 PolarHBondContact O-NH1 3.44Å; K56-R62 HydrophobicContact CD-CG 3.87Å; R62-F64 HydrophobicContact CB-CE2 4.12Å; R62-F64 HydrophobicContact CB-CZ 4.22Å; R62-E130 CarbonylContact C-O 3.39Å; R62-E130 WeakPolarHBondContact CA-O 3.46Å; R62-E130 HydrophobicContact CG-CB 4.24Å; R62-E130 WeakPolarHBondContact CG-OE2 3.47Å; R62-E130 IonicContact CZ-OE2 3.08Å; R62-E130 IonicContact NE-OE2 3.46Å; R62-E130 PolarHBondContact NE-OE2 3.1Å; R62-E130 IonicContact NH2-OE2 3.39Å; R62-Y132 HydrophobicContact CB-CD2 4.5Å; R62-Y132 HydrophobicContact CB-CE2 4.21Å; R62-Y132 HydrophobicContact CG-CE2 4Å
63	F	94.8	Very high	88.1	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	150	173.6	-67.4	-95.7	0	0	0	110.8	V61 T71 V72 V81 M109 F114 A117 V118 L121 V129 E130 V131 Y132	V61-F63 HydrophobicContact CB-CE2 4.17Å; V61-F63 HydrophobicContact CG1-CD2 4.12Å; V61-F63 HydrophobicContact CG1-CE2 3.58Å; V61-F63 HydrophobicContact CG1-CZ 4Å; F63-T71 CarbonylContact C-O 3.58Å; F63-T71 WeakPolarHBondContact CA-O 3.47Å; F63-V72 HydrophobicContact CD1-CG1 3.28Å; F63-V72 HydrophobicContact CD2-CG1 4.38Å; F63-V72 HydrophobicContact CE1-CG1 3.37Å; F63-V72 HydrophobicContact CE2-CG1 4.45Å; F63-V72 HydrophobicContact CG-CG1 3.83Å; F63-V72 HydrophobicContact CZ-CG1 3.99Å; F63-V81 HydrophobicContact CZ-CG2 4.35Å; F63-M109 HydrophobicContact CD1-CE 4.47Å; F63-M109 HydrophobicContact CD1-SD 4.33Å; F63-M109 HydrophobicContact CE1-CE 4.11Å; F63-M109 HydrophobicContact CE1-SD 3.85Å; F63-F114 HydrophobicContact CB-CD2 4.46Å; F63-F114 HydrophobicContact CB-CE2 3.98Å; F63-F114 AromaticContact CD1-CD2 3.54Å; F63-F114 HydrophobicContact CD1-CD2 3.54Å; F63-F114 AromaticContact CD1-CE2 3.79Å; F63-F114 HydrophobicContact CD1-CE2 3.79Å; F63-F114 HydrophobicContact CD2-CE2 4.14Å; F63-F114 AromaticContact CE1-CD2 3.83Å; F63-F114 HydrophobicContact CE1-CD2 3.83Å; F63-F114 HydrophobicContact CE1-CE2 4.28Å; F63-F114 AromaticContact CG-CD2 3.97Å; F63-F114 HydrophobicContact CG-CD2 3.97Å; F63-F114 AromaticContact CG-CE2 3.7Å; F63-F114 HydrophobicContact CG-CE2 3.7Å; F63-F114 HydrophobicContact CZ-CD2 4.47Å; F63-A117 HydrophobicContact CE1-CB 4.32Å; F63-A117 HydrophobicContact CZ-CB 4.1Å; F63-V118 HydrophobicContact CE2-CG2 4.34Å; F63-V118 HydrophobicContact CZ-CG2 4.47Å; F63-L121 HydrophobicContact CE2-CD1 3.8Å; F63-L121 HydrophobicContact CZ-CD1 3.81Å; F63-V129 HydrophobicContact CD2-CG1 3.74Å; F63-V129 HydrophobicContact CE2-CG1 3.91Å; F63-V129 HydrophobicContact CE2-CG2 4.47Å; F63-E130 PolarHBondContact N-O 3.22Å; F63-V131 HydrophobicContact CB-CG2 4.23Å; F63-V131 WeakPolarHBondContact O-CA 3.17Å; F63-Y132 PolarHBondContact O-N 3.31Å
64	F	93.4	Very high	88.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	121	179	-59	-89.8	0	0	0	109.7	F46 F49 L53 R62 H66 Y70 T71 H73 Y132 W139	F46-F64 HydrophobicContact CE2-CB 4.38Å; F46-F64 AromaticContact CE2-CD1 3.7Å; F46-F64 HydrophobicContact CE2-CD1 3.7Å; F46-F64 HydrophobicContact CE2-CE1 4.15Å; F46-F64 AromaticContact CE2-CG 3.95Å; F46-F64 HydrophobicContact CE2-CG 3.95Å; F46-F64 AromaticContact CZ-CD1 3.98Å; F46-F64 HydrophobicContact CZ-CD1 3.98Å; F46-F64 HydrophobicContact CZ-CD2 4.1Å; F46-F64 HydrophobicContact CZ-CE1 4.22Å; F46-F64 HydrophobicContact CZ-CE2 4.3Å; F46-F64 AromaticContact CZ-CG 3.92Å; F46-F64 HydrophobicContact CZ-CG 3.92Å; F46-F64 HydrophobicContact CZ-CZ 4.35Å; F49-F64 HydrophobicContact CE1-CE1 4Å; L53-F64 HydrophobicContact CD1-CE1 4.1Å; L53-F64 HydrophobicContact CD1-CZ 3.89Å; R62-F64 HydrophobicContact CB-CE2 4.12Å; R62-F64 HydrophobicContact CB-CZ 4.22Å; F64-H66 PolarHBondContact O-CD2 3.43Å; F64-Y70 CarbonylContact O-C 3.51Å; F64-Y70 WeakPolarHBondContact O-CA 3.34Å; F64-T71 PolarHBondContact N-O 2.93Å; F64-T71 PolarHBondContact O-N 3.38Å; F64-H73 AromaticContact CD2-CD2 3.41Å; F64-H73 VanDerWaalsContact CD2-CD2 3.41Å; F64-H73 WeakPolarHBondContact CD2-CD2 3.44Å; F64-H73 AromaticContact CD2-NE2 3.96Å; F64-H73 AromaticContact CE2-CD2 3.64Å; F64-Y132 WeakPolarHBondContact CA-O 3.34Å; F64-Y132 HydrophobicContact CD1-CD2 4.4Å; F64-Y132 HydrophobicContact CD1-CG 4.13Å; F64-Y132 HydrophobicContact CE1-CD1 4.48Å; F64-Y132 AromaticContact CE1-CD2 3.93Å; F64-Y132 HydrophobicContact CE1-CD2 3.93Å; F64-Y132 AromaticContact CE1-CG 3.85Å; F64-Y132 HydrophobicContact CE1-CG 3.85Å; F64-Y132 HydrophobicContact CZ-CD2 4.34Å; F64-W139 HydrophobicContact CB-CE3 4.46Å; F64-W139 HydrophobicContact CB-CH2 3.94Å; F64-W139 HydrophobicContact CB-CZ3 3.75Å; F64-W139 HydrophobicContact CD1-CD2 4.33Å; F64-W139 AromaticContact CD1-CE3 3.93Å; F64-W139 HydrophobicContact CD1-CE3 3.93Å; F64-W139 HydrophobicContact CD1-CZ3 4.07Å; F64-W139 HydrophobicContact CG-CZ3 4.43Å
65	D	91.7	Very high	88.5	Confident	22 Å²	22	47.9 Å²	47.9	12%	0.118	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	124.8	179.1	-162	-26.5	0	0	0	111	T67 Y70 Y132 V133 W139	D65-T67 WeakPolarHBondContact OD1-CA 3.21Å; D65-T67 PolarHBondContact OD1-N 2.89Å; D65-Y70 HydrophobicContact CB-CD1 4.07Å; D65-Y70 HydrophobicContact CB-CE1 3.62Å; D65-Y70 VanDerWaalsContact OD2-CE1 3.25Å; D65-Y70 WeakPolarHBondContact OD2-CE1 3.42Å; D65-Y70 VanDerWaalsContact OD2-CZ 3.28Å; D65-Y70 PolarHBondContact OD2-OH 3.37Å; D65-Y132 PolarHBondContact N-O 2.96Å; D65-V133 HydrophobicContact CB-CG2 3.61Å; D65-W139 WeakPolarHBondContact O-CH2 3.37Å; D65-W139 VanDerWaalsContact O-CZ3 3.28Å; D65-W139 WeakPolarHBondContact O-CZ3 3.46Å
66	H	86.3	Confident	88.8	Confident	39 Å²	39	43.9 Å²	43.9	18%	0.181	26%	0.255	C	S	.	.			trans	-109.5	20.2	175.5	-63.4	-89.4	0	0	0	112.9	F64 D68 R69 T71 W139	F64-H66 PolarHBondContact O-CD2 3.43Å; H66-D68 PolarHBondContact O-N 3.31Å; H66-R69 WeakPolarHBondContact CB-O 3.34Å; H66-R69 PolarHBondContact N-O 2.91Å; H66-T71 PolarHBondContact NE2-OG1 2.98Å; H66-W139 AromaticContact CE1-CH2 3.56Å; H66-W139 AromaticContact CE1-CZ2 3.76Å; H66-W139 AromaticContact ND1-CH2 3.82Å; H66-W139 AromaticContact NE2-CH2 3.94Å
67	T	81.3	Confident	89.2	Confident	142 Å²	142	41.5 Å²	41.5	87%	0.871	25%	0.245	S	C	*	.	S	Bend	trans	74.7	-45.8	-176.5	-47.2	0	0	0	0	114.4	D65	D65-T67 WeakPolarHBondContact OD1-CA 3.21Å; D65-T67 PolarHBondContact OD1-N 2.89Å
68	D	80.8	Confident	89.6	Confident	122 Å²	122	38.2 Å²	38.2	65%	0.652	22%	0.223	S	C	*	.	S	Bend	trans	-97.1	-24.6	178.9	68.2	-25.1	0	0	0	113	H66	H66-D68 PolarHBondContact O-N 3.31Å
69	R	88.9	Confident	90.1	Very high	68 Å²	68	38.5 Å²	38.5	26%	0.257	21%	0.211	S	C	.	.			trans	-149.3	160.8	-173.8	-56	-172.5	84.8	158.7	10.1	111.9	H66 S108 M109	H66-R69 WeakPolarHBondContact CB-O 3.34Å; H66-R69 PolarHBondContact N-O 2.91Å; R69-S108 PolarHBondContact NE-OG 2.81Å; R69-M109 WeakPolarHBondContact CB-O 3.36Å
70	Y	92.4	Very high	90.3	Very high	27 Å²	27	36.8 Å²	36.8	11%	0.106	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	148.3	171.1	-66.6	-88.1	0	0	0	110.8	F64 D65 S108 M109 K111 F114 V131	F64-Y70 CarbonylContact O-C 3.51Å; F64-Y70 WeakPolarHBondContact O-CA 3.34Å; D65-Y70 HydrophobicContact CB-CD1 4.07Å; D65-Y70 HydrophobicContact CB-CE1 3.62Å; D65-Y70 VanDerWaalsContact OD2-CE1 3.25Å; D65-Y70 WeakPolarHBondContact OD2-CE1 3.42Å; D65-Y70 VanDerWaalsContact OD2-CZ 3.28Å; D65-Y70 PolarHBondContact OD2-OH 3.37Å; Y70-S108 WeakPolarHBondContact O-CA 3.19Å; Y70-M109 PolarHBondContact N-O 2.84Å; Y70-M109 PolarHBondContact O-N 2.88Å; Y70-K111 HydrophobicContact CE2-CB 4.3Å; Y70-K111 HydrophobicContact CE2-CG 4.26Å; Y70-F114 HydrophobicContact CD1-CD1 4.29Å; Y70-F114 AromaticContact CD1-CD2 3.91Å; Y70-F114 HydrophobicContact CD1-CD2 3.91Å; Y70-F114 HydrophobicContact CD1-CE1 4.38Å; Y70-F114 HydrophobicContact CD1-CE2 4.03Å; Y70-F114 HydrophobicContact CD1-CG 4.03Å; Y70-F114 HydrophobicContact CD1-CZ 4.25Å; Y70-F114 HydrophobicContact CD2-CB 3.5Å; Y70-F114 VanDerWaalsContact CD2-CB 3.5Å; Y70-F114 AromaticContact CD2-CD1 3.78Å; Y70-F114 HydrophobicContact CD2-CD1 3.78Å; Y70-F114 HydrophobicContact CD2-CD2 4.22Å; Y70-F114 AromaticContact CD2-CG 3.57Å; Y70-F114 HydrophobicContact CD2-CG 3.57Å; Y70-F114 HydrophobicContact CE1-CD1 4.15Å; Y70-F114 HydrophobicContact CE1-CD2 4.46Å; Y70-F114 AromaticContact CE1-CE1 3.98Å; Y70-F114 HydrophobicContact CE1-CE1 3.98Å; Y70-F114 HydrophobicContact CE1-CE2 4.31Å; Y70-F114 HydrophobicContact CE1-CG 4.37Å; Y70-F114 HydrophobicContact CE1-CZ 4.06Å; Y70-F114 HydrophobicContact CE2-CB 4.16Å; Y70-F114 AromaticContact CE2-CD1 3.62Å; Y70-F114 HydrophobicContact CE2-CD1 3.62Å; Y70-F114 HydrophobicContact CE2-CE1 4.16Å; Y70-F114 AromaticContact CE2-CG 3.93Å; Y70-F114 HydrophobicContact CE2-CG 3.93Å; Y70-F114 HydrophobicContact CG-CB 3.81Å; Y70-F114 HydrophobicContact CG-CD1 4.13Å; Y70-F114 AromaticContact CG-CD2 3.8Å; Y70-F114 HydrophobicContact CG-CD2 3.8Å; Y70-F114 HydrophobicContact CG-CE2 4.38Å; Y70-F114 AromaticContact CG-CG 3.64Å; Y70-F114 HydrophobicContact CG-CG 3.64Å; Y70-F114 AromaticContact CZ-CD1 3.84Å; Y70-F114 AromaticContact CZ-CE1 3.88Å; Y70-V131 HydrophobicContact CE1-CG1 4.34Å
71	T	93.1	Very high	90.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151.9	171.6	62.5	0	0	0	0	112.7	L36 F63 F64 H66 H73 V107	L36-T71 HydrophobicContact CD1-CG2 3.5Å; L36-T71 HydrophobicContact CD2-CG2 4.06Å; L36-T71 HydrophobicContact CG-CG2 4.33Å; F63-T71 CarbonylContact C-O 3.58Å; F63-T71 WeakPolarHBondContact CA-O 3.47Å; F64-T71 PolarHBondContact N-O 2.93Å; F64-T71 PolarHBondContact O-N 3.38Å; H66-T71 PolarHBondContact NE2-OG1 2.98Å; T71-H73 WeakPolarHBondContact CB-NE2 3.48Å; T71-H73 PolarHBondContact OG1-NE2 3.25Å; T71-V107 VanDerWaalsContact CA-O 3.28Å; T71-V107 WeakPolarHBondContact CA-O 3.42Å
72	V	93.8	Very high	90.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	151.3	166.2	-63.4	0	0	0	0	109	V61 F63 C78 V81 F106 V107 M109	V61-V72 HydrophobicContact CG1-CG1 4.26Å; F63-V72 HydrophobicContact CD1-CG1 3.28Å; F63-V72 HydrophobicContact CD2-CG1 4.38Å; F63-V72 HydrophobicContact CE1-CG1 3.37Å; F63-V72 HydrophobicContact CE2-CG1 4.45Å; F63-V72 HydrophobicContact CG-CG1 3.83Å; F63-V72 HydrophobicContact CZ-CG1 3.99Å; V72-C78 PolarHBondContact O-SG 3.44Å; V72-V81 HydrophobicContact CG1-CG2 4.28Å; V72-V81 HydrophobicContact CG2-CB 3.95Å; V72-V81 HydrophobicContact CG2-CG1 4.17Å; V72-V81 HydrophobicContact CG2-CG2 4.16Å; V72-F106 VanDerWaalsContact O-CA 3.24Å; V72-F106 WeakPolarHBondContact O-CA 3.49Å; V72-V107 HydrophobicContact CG2-CB 3.81Å; V72-V107 PolarHBondContact N-O 3.05Å; V72-V107 VanDerWaalsContact N-O 3.07Å; V72-V107 PolarHBondContact O-N 3.07Å; V72-M109 HydrophobicContact CG1-CE 4.13Å; V72-M109 HydrophobicContact CG2-CE 4.06Å
73	H	91.8	Very high	90.2	Very high	5 Å²	5	40.2 Å²	40.2	2%	0.023	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	156.3	-173.1	-58.2	-97	0	0	0	111.6	F46 F64 T71 L104 Q105 F106	F46-H73 AromaticContact CE1-CD2 3.79Å; F46-H73 AromaticContact CE1-CE1 3.34Å; F46-H73 WeakPolarHBondContact CE1-CE1 3.5Å; F46-H73 AromaticContact CE1-CG 3.9Å; F46-H73 AromaticContact CE1-ND1 3.62Å; F46-H73 AromaticContact CE1-NE2 3.44Å; F46-H73 WeakPolarHBondContact CE1-NE2 3.09Å; F46-H73 AromaticContact CZ-CD2 3.56Å; F46-H73 AromaticContact CZ-CE1 3.73Å; F46-H73 AromaticContact CZ-NE2 3.3Å; F46-H73 VanDerWaalsContact CZ-NE2 3.3Å; F46-H73 WeakPolarHBondContact CZ-NE2 3.45Å; F64-H73 AromaticContact CD2-CD2 3.41Å; F64-H73 VanDerWaalsContact CD2-CD2 3.41Å; F64-H73 WeakPolarHBondContact CD2-CD2 3.44Å; F64-H73 AromaticContact CD2-NE2 3.96Å; F64-H73 AromaticContact CE2-CD2 3.64Å; T71-H73 WeakPolarHBondContact CB-NE2 3.48Å; T71-H73 PolarHBondContact OG1-NE2 3.25Å; H73-L104 HydrophobicContact CB-CD1 4.13Å; H73-L104 HydrophobicContact CB-CD2 4.25Å; H73-L104 HydrophobicContact CB-CG 4.2Å; H73-Q105 VanDerWaalsContact CA-O 3.25Å; H73-Q105 WeakPolarHBondContact CA-O 3.34Å; H73-F106 WeakPolarHBondContact ND1-CB 3.49Å
74	G	87.7	Confident	89.9	Confident	22 Å²	22	40.4 Å²	40.4	23%	0.227	22%	0.216	C	C	.	.	S	Bend	trans	92.5	151.5	-176.1	0	0	0	0	0	112.5	D76 C78 Q105	G74-D76 PolarHBondContact O-N 2.91Å; G74-C78 WeakPolarHBondContact O-CB 3.39Å; G74-C78 PolarHBondContact O-N 2.86Å; G74-C78 PolarHBondContact O-SG 3.49Å; G74-Q105 PolarHBondContact N-O 3.33Å; G74-Q105 VanDerWaalsContact N-O 3.14Å
75	S	84.8	Confident	89.8	Confident	66 Å²	66	41.4 Å²	41.4	46%	0.462	22%	0.222	S	C	.	.	H	α-helix	trans	-56.7	-51.7	-170.2	51.7	0	0	0	0	113.2	C78 E79 Q105	S75-C78 PolarHBondContact O-N 2.89Å; S75-E79 WeakPolarHBondContact O-CB 3.5Å; S75-E79 PolarHBondContact O-N 2.86Å; S75-Q105 VanDerWaalsContact CA-OE1 3.31Å
76	D	87.9	Confident	89.7	Confident	113 Å²	113	42.7 Å²	42.7	60%	0.604	23%	0.225	S	C	*	.	H	α-helix	trans	-72.4	-43.5	-169.2	-57.2	-1.4	0	0	0	110.8	G74 E79 L80	G74-D76 PolarHBondContact O-N 2.91Å; D76-E79 PolarHBondContact O-N 3.49Å; D76-L80 WeakPolarHBondContact O-CB 3.34Å; D76-L80 PolarHBondContact O-N 3.38Å
77	D	91.9	Very high	89.8	Confident	7 Å²	7	48.8 Å²	48.8	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-66.8	-41.2	177.7	-74.4	14.4	0	0	0	111.2	K56 V61 L80 V81	K56-D77 WeakPolarHBondContact CE-OD2 3.48Å; K56-D77 IonicContact NZ-OD1 3.93Å; K56-D77 PolarHBondContact NZ-OD1 2.84Å; K56-D77 IonicContact NZ-OD2 2.96Å; K56-D77 PolarHBondContact NZ-OD2 3.42Å; V61-D77 HydrophobicContact CG1-CB 4.44Å; D77-L80 PolarHBondContact O-N 2.87Å; D77-V81 WeakPolarHBondContact O-CB 3.43Å; D77-V81 VanDerWaalsContact O-CG2 3.29Å; D77-V81 WeakPolarHBondContact O-CG2 3.49Å; D77-V81 PolarHBondContact O-N 3.34Å
78	C	92.7	Very high	90.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.2	-46.9	176.9	-72.4	0	0	0	0	111.1	V72 G74 S75 A82 I92 Q105 F106 V107	V72-C78 PolarHBondContact O-SG 3.44Å; G74-C78 WeakPolarHBondContact O-CB 3.39Å; G74-C78 PolarHBondContact O-N 2.86Å; G74-C78 PolarHBondContact O-SG 3.49Å; S75-C78 PolarHBondContact O-N 2.89Å; C78-A82 WeakPolarHBondContact O-CB 3.41Å; C78-A82 PolarHBondContact O-N 2.89Å; C78-I92 HydrophobicContact CB-CD1 4.32Å; C78-I92 HydrophobicContact CB-CG1 4.25Å; C78-I92 HydrophobicContact CB-CG2 4.19Å; C78-Q105 PolarHBondContact SG-O 2.75Å; C78-F106 WeakPolarHBondContact SG-CA 3.35Å; C78-V107 HydrophobicContact CB-CG2 3.77Å
79	E	92.3	Very high	90.5	Very high	85 Å²	85	41.7 Å²	41.7	40%	0.397	21%	0.214	S	C	.	.	H	α-helix	trans	-63.8	-45	178.6	-170.8	178	167.1	0	0	111.7	S75 D76 K83 T89 I92	S75-E79 WeakPolarHBondContact O-CB 3.5Å; S75-E79 PolarHBondContact O-N 2.86Å; D76-E79 PolarHBondContact O-N 3.49Å; E79-K83 HydrophobicContact CG-CD 4.2Å; E79-K83 WeakPolarHBondContact O-CB 3.46Å; E79-K83 VanDerWaalsContact O-CG 3.31Å; E79-K83 WeakPolarHBondContact O-CG 3.31Å; E79-K83 PolarHBondContact O-N 3.04Å; E79-K83 WeakPolarHBondContact OE1-CE 3.41Å; E79-K83 IonicContact OE1-NZ 3.31Å; E79-K83 PolarHBondContact OE1-NZ 2.98Å; E79-T89 HydrophobicContact CG-CG2 3.97Å; E79-I92 HydrophobicContact CB-CD1 4.47Å
80	L	92.1	Very high	90.3	Very high	24 Å²	24	42.4 Å²	42.4	13%	0.126	23%	0.234	C	C	.	.	H	α-helix	trans	-58.1	-55	177.5	175	61.3	0	0	0	111.3	V61 D76 D77 K83 I84 L121 Y127	V61-L80 HydrophobicContact CG2-CD2 3.98Å; D76-L80 WeakPolarHBondContact O-CB 3.34Å; D76-L80 PolarHBondContact O-N 3.38Å; D77-L80 PolarHBondContact O-N 2.87Å; L80-K83 PolarHBondContact O-N 3.46Å; L80-I84 HydrophobicContact CD1-CD1 3.87Å; L80-I84 HydrophobicContact CD1-CG1 4.45Å; L80-I84 HydrophobicContact CG-CD1 3.97Å; L80-I84 VanDerWaalsContact O-CG1 3.3Å; L80-I84 WeakPolarHBondContact O-CG1 3.44Å; L80-I84 PolarHBondContact O-N 2.92Å; L80-L121 HydrophobicContact CD2-CD2 3.89Å; L80-L121 HydrophobicContact CG-CD2 4.45Å; L80-Y127 HydrophobicContact CD2-CD2 4.04Å; L80-Y127 HydrophobicContact CD2-CE2 3.62Å
81	V	92.9	Very high	89.9	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-72.3	-35.4	-174.4	177.4	0	0	0	0	111.5	V61 F63 V72 D77 K83 I84 V85 M109 A117	V61-V81 HydrophobicContact CG1-CG2 4.18Å; F63-V81 HydrophobicContact CZ-CG2 4.35Å; V72-V81 HydrophobicContact CG1-CG2 4.28Å; V72-V81 HydrophobicContact CG2-CB 3.95Å; V72-V81 HydrophobicContact CG2-CG1 4.17Å; V72-V81 HydrophobicContact CG2-CG2 4.16Å; D77-V81 WeakPolarHBondContact O-CB 3.43Å; D77-V81 VanDerWaalsContact O-CG2 3.29Å; D77-V81 WeakPolarHBondContact O-CG2 3.49Å; D77-V81 PolarHBondContact O-N 3.34Å; V81-K83 VanDerWaalsContact C-N 3.32Å; V81-K83 PolarHBondContact O-N 3.29Å; V81-I84 PolarHBondContact O-N 3.1Å; V81-V85 HydrophobicContact CG1-CG2 3.95Å; V81-V85 WeakPolarHBondContact O-CB 3.27Å; V81-V85 WeakPolarHBondContact O-CG2 3.31Å; V81-V85 PolarHBondContact O-N 3.33Å; V81-M109 HydrophobicContact CG1-CE 3.54Å; V81-M109 HydrophobicContact CG1-SD 4.13Å; V81-A117 HydrophobicContact CG1-CB 4.28Å
82	A	92.4	Very high	89.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-39.9	173.8	0	0	0	0	0	111.8	C78 Y86 K87 S88 I92 V107	C78-A82 WeakPolarHBondContact O-CB 3.41Å; C78-A82 PolarHBondContact O-N 2.89Å; A82-Y86 CarbonylContact O-C 3.46Å; A82-Y86 WeakPolarHBondContact O-CA 3.26Å; A82-Y86 WeakPolarHBondContact O-CB 3.18Å; A82-Y86 PolarHBondContact O-N 2.62Å; A82-K87 PolarHBondContact O-N 3.02Å; A82-K87 VanDerWaalsContact O-N 3.13Å; A82-S88 CarbonylContact C-O 3.42Å; A82-S88 WeakPolarHBondContact CB-O 3.27Å; A82-I92 HydrophobicContact CB-CD1 4.49Å; A82-I92 HydrophobicContact CB-CG1 4.1Å; A82-V107 HydrophobicContact CB-CG2 4.09Å
83	K	91.3	Very high	89.2	Confident	102 Å²	102	48.7 Å²	48.7	44%	0.443	27%	0.271	S	S	.	.	H	α-helix	trans	-67.1	-36.4	172.9	-76.2	172.7	174.2	171.8	0	112.8	E79 L80 V81 K87 T89	E79-K83 HydrophobicContact CG-CD 4.2Å; E79-K83 WeakPolarHBondContact O-CB 3.46Å; E79-K83 VanDerWaalsContact O-CG 3.31Å; E79-K83 WeakPolarHBondContact O-CG 3.31Å; E79-K83 PolarHBondContact O-N 3.04Å; E79-K83 WeakPolarHBondContact OE1-CE 3.41Å; E79-K83 IonicContact OE1-NZ 3.31Å; E79-K83 PolarHBondContact OE1-NZ 2.98Å; L80-K83 PolarHBondContact O-N 3.46Å; V81-K83 VanDerWaalsContact C-N 3.32Å; V81-K83 PolarHBondContact O-N 3.29Å; K83-K87 WeakPolarHBondContact O-CA 3.3Å; K83-K87 VanDerWaalsContact O-CD 3.26Å; K83-K87 WeakPolarHBondContact O-CD 3.49Å; K83-K87 PolarHBondContact O-N 3.35Å; K83-T89 HydrophobicContact CG-CG2 4.42Å
84	I	88.6	Confident	88.8	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-67.4	-54.3	177.8	-70.1	167.7	0	0	0	110.6	L80 V81 K87 L116 A117 E120 L121	L80-I84 HydrophobicContact CD1-CD1 3.87Å; L80-I84 HydrophobicContact CD1-CG1 4.45Å; L80-I84 HydrophobicContact CG-CD1 3.97Å; L80-I84 VanDerWaalsContact O-CG1 3.3Å; L80-I84 WeakPolarHBondContact O-CG1 3.44Å; L80-I84 PolarHBondContact O-N 2.92Å; V81-I84 PolarHBondContact O-N 3.1Å; I84-K87 PolarHBondContact O-NZ 3.29Å; I84-L116 HydrophobicContact CG2-CD2 3.86Å; I84-A117 HydrophobicContact CG2-CB 4.49Å; I84-E120 HydrophobicContact CD1-CG 3.98Å; I84-E120 HydrophobicContact CG1-CG 4.05Å; I84-E120 HydrophobicContact CG2-CB 3.92Å; I84-E120 HydrophobicContact CG2-CG 3.89Å; I84-L121 HydrophobicContact CD1-CD2 3.96Å; I84-L121 HydrophobicContact CD1-CG 4.26Å
85	V	90.3	Very high	88.4	Confident	21 Å²	21	50.2 Å²	50.2	13%	0.127	28%	0.282	C	S	.	.	H	α-helix	trans	-84.1	-49.1	-168.8	176.5	0	0	0	0	112.3	V81 N113 A117	V81-V85 HydrophobicContact CG1-CG2 3.95Å; V81-V85 WeakPolarHBondContact O-CB 3.27Å; V81-V85 WeakPolarHBondContact O-CG2 3.31Å; V81-V85 PolarHBondContact O-N 3.33Å; V85-N113 HydrophobicContact CG1-CB 3.57Å; V85-N113 VanDerWaalsContact CG1-CG 3.43Å; V85-N113 WeakPolarHBondContact CG1-ND2 3.4Å; V85-A117 HydrophobicContact CG2-CB 3.82Å
86	Y	90.1	Very high	87.7	Confident	48 Å²	48	51.8 Å²	51.8	19%	0.188	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-4.5	-170.6	-59	-62.8	0	0	0	113.8	A82 S88 F91 V107 S108 M109	A82-Y86 CarbonylContact O-C 3.46Å; A82-Y86 WeakPolarHBondContact O-CA 3.26Å; A82-Y86 WeakPolarHBondContact O-CB 3.18Å; A82-Y86 PolarHBondContact O-N 2.62Å; Y86-S88 PolarHBondContact O-N 2.78Å; Y86-F91 VanDerWaalsContact CB-CD2 3.42Å; Y86-F91 HydrophobicContact CD1-CD1 4.37Å; Y86-F91 HydrophobicContact CD1-CD2 4.34Å; Y86-F91 HydrophobicContact CD1-CE1 4.43Å; Y86-F91 HydrophobicContact CD1-CE2 4.4Å; Y86-F91 HydrophobicContact CD1-CG 4.32Å; Y86-F91 HydrophobicContact CD1-CZ 4.44Å; Y86-F91 HydrophobicContact CD2-CB 3.7Å; Y86-F91 HydrophobicContact CD2-CD1 4.42Å; Y86-F91 HydrophobicContact CD2-CD2 4.12Å; Y86-F91 AromaticContact CD2-CG 3.83Å; Y86-F91 HydrophobicContact CD2-CG 3.83Å; Y86-F91 HydrophobicContact CE2-CB 4.13Å; Y86-F91 HydrophobicContact CE2-CG 4.38Å; Y86-F91 HydrophobicContact CG-CB 4.19Å; Y86-F91 HydrophobicContact CG-CD1 4.29Å; Y86-F91 AromaticContact CG-CD2 3.72Å; Y86-F91 HydrophobicContact CG-CD2 3.72Å; Y86-F91 HydrophobicContact CG-CE2 4.14Å; Y86-F91 AromaticContact CG-CG 3.8Å; Y86-F91 HydrophobicContact CG-CG 3.8Å; Y86-V107 HydrophobicContact CD2-CG1 4.24Å; Y86-V107 HydrophobicContact CE2-CG1 3.72Å; Y86-S108 PolarHBondContact OH-O 3.31Å; Y86-M109 WeakPolarHBondContact OH-CA 3.36Å
87	K	89.3	Confident	86.4	Confident	168 Å²	168	48.2 Å²	48.2	73%	0.73	27%	0.268	S	S	*	.	S	Bend	trans	53.1	24.8	-174.2	-50.2	-50.8	-172.9	-164.9	0	113	A82 K83 I84	A82-K87 PolarHBondContact O-N 3.02Å; A82-K87 VanDerWaalsContact O-N 3.13Å; K83-K87 WeakPolarHBondContact O-CA 3.3Å; K83-K87 VanDerWaalsContact O-CD 3.26Å; K83-K87 WeakPolarHBondContact O-CD 3.49Å; K83-K87 PolarHBondContact O-N 3.35Å; I84-K87 PolarHBondContact O-NZ 3.29Å
88	S	88.6	Confident	84.8	Confident	42 Å²	42	52.7 Å²	52.7	29%	0.294	29%	0.292	S	S	.	.	S	Bend	trans	-159.1	144.3	-173.9	178.5	0	0	0	0	110.9	A82 Y86 A90	A82-S88 CarbonylContact C-O 3.42Å; A82-S88 WeakPolarHBondContact CB-O 3.27Å; Y86-S88 PolarHBondContact O-N 2.78Å; S88-A90 VanDerWaalsContact C-N 3.32Å; S88-A90 WeakPolarHBondContact OG-CB 3.47Å; S88-A90 PolarHBondContact OG-N 2.99Å; S88-A90 VanDerWaalsContact OG-N 3.16Å
89	T	87.6	Confident	83	Confident	72 Å²	72	59.2 Å²	59.2	44%	0.442	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-85.5	-2.9	173.5	54	0	0	0	0	113.1	E79 K83 F91 I92	E79-T89 HydrophobicContact CG-CG2 3.97Å; K83-T89 HydrophobicContact CG-CG2 4.42Å; T89-F91 PolarHBondContact O-N 2.97Å; T89-F91 VanDerWaalsContact O-N 3.1Å; T89-I92 HydrophobicContact CG2-CD1 4.33Å; T89-I92 WeakPolarHBondContact O-CG1 3.29Å; T89-I92 PolarHBondContact O-N 2.88Å
90	A	84.4	Confident	81.3	Confident	83 Å²	83	64.9 Å²	64.9	69%	0.686	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-65.6	-12.7	-179.6	0	0	0	0	0	114.1	S88	S88-A90 VanDerWaalsContact C-N 3.32Å; S88-A90 WeakPolarHBondContact OG-CB 3.47Å; S88-A90 PolarHBondContact OG-N 2.99Å; S88-A90 VanDerWaalsContact OG-N 3.16Å
91	F	84.7	Confident	79.6	Confident	88 Å²	88	73.1 Å²	73.1	39%	0.386	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-93.1	7	-179.3	-66	-89.4	0	0	0	113.5	Y86 T89 G93	Y86-F91 VanDerWaalsContact CB-CD2 3.42Å; Y86-F91 HydrophobicContact CD1-CD1 4.37Å; Y86-F91 HydrophobicContact CD1-CD2 4.34Å; Y86-F91 HydrophobicContact CD1-CE1 4.43Å; Y86-F91 HydrophobicContact CD1-CE2 4.4Å; Y86-F91 HydrophobicContact CD1-CG 4.32Å; Y86-F91 HydrophobicContact CD1-CZ 4.44Å; Y86-F91 HydrophobicContact CD2-CB 3.7Å; Y86-F91 HydrophobicContact CD2-CD1 4.42Å; Y86-F91 HydrophobicContact CD2-CD2 4.12Å; Y86-F91 AromaticContact CD2-CG 3.83Å; Y86-F91 HydrophobicContact CD2-CG 3.83Å; Y86-F91 HydrophobicContact CE2-CB 4.13Å; Y86-F91 HydrophobicContact CE2-CG 4.38Å; Y86-F91 HydrophobicContact CG-CB 4.19Å; Y86-F91 HydrophobicContact CG-CD1 4.29Å; Y86-F91 AromaticContact CG-CD2 3.72Å; Y86-F91 HydrophobicContact CG-CD2 3.72Å; Y86-F91 HydrophobicContact CG-CE2 4.14Å; Y86-F91 AromaticContact CG-CG 3.8Å; Y86-F91 HydrophobicContact CG-CG 3.8Å; T89-F91 PolarHBondContact O-N 2.97Å; T89-F91 VanDerWaalsContact O-N 3.1Å; F91-G93 PolarHBondContact O-N 2.92Å
92	I	87.8	Confident	77.9	Confident	47 Å²	47	81 Å²	81	24%	0.241	42%	0.421	C	S	.	.			trans	-82.4	113.9	176	-58.2	172.8	0	0	0	108.7	C78 E79 A82 T89 Q105 V107	C78-I92 HydrophobicContact CB-CD1 4.32Å; C78-I92 HydrophobicContact CB-CG1 4.25Å; C78-I92 HydrophobicContact CB-CG2 4.19Å; E79-I92 HydrophobicContact CB-CD1 4.47Å; A82-I92 HydrophobicContact CB-CD1 4.49Å; A82-I92 HydrophobicContact CB-CG1 4.1Å; T89-I92 HydrophobicContact CG2-CD1 4.33Å; T89-I92 WeakPolarHBondContact O-CG1 3.29Å; T89-I92 PolarHBondContact O-N 2.88Å; I92-Q105 HydrophobicContact CG2-CB 3.95Å; I92-Q105 HydrophobicContact CG2-CG 4.13Å; I92-V107 HydrophobicContact CB-CG2 4.45Å; I92-V107 HydrophobicContact CG1-CG2 3.84Å
93	G	84.4	Confident	77	Confident	25 Å²	25	85.2 Å²	85.2	26%	0.258	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	173.3	172.3	0	0	0	0	0	112.2	F91 Q105 F106	F91-G93 PolarHBondContact O-N 2.92Å; G93-Q105 VanDerWaalsContact O-CA 3.31Å; G93-Q105 WeakPolarHBondContact O-CA 3.26Å; G93-F106 PolarHBondContact N-O 2.93Å; G93-F106 PolarHBondContact O-N 3.24Å
94	A	82.8	Confident	76.7	Confident	56 Å²	56	81.5 Å²	81.5	46%	0.463	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.7	174.5	0	0	0	0	0	111.3
95	L	78.6	Confident	76.8	Confident	2 Å²	2	84.8 Å²	84.8	1%	0.01	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	112.1	168.8	-77.8	147.7	0	0	0	108.4	L36 R43 I47 L104 F106	L36-L95 HydrophobicContact CD2-CD1 4.27Å; R43-L95 HydrophobicContact CG-CD2 3.72Å; I47-L95 HydrophobicContact CD1-CB 4.48Å; L95-L104 HydrophobicContact CB-CB 4.28Å; L95-L104 WeakPolarHBondContact CB-O 3.48Å; L95-L104 PolarHBondContact N-O 2.87Å; L95-L104 PolarHBondContact O-N 3.46Å; L95-L104 VanDerWaalsContact O-N 3.13Å; L95-F106 HydrophobicContact CD1-CB 3.95Å; L95-F106 HydrophobicContact CD1-CD1 3.67Å; L95-F106 HydrophobicContact CD1-CE1 4.42Å; L95-F106 HydrophobicContact CD1-CG 3.94Å; L95-F106 HydrophobicContact CG-CD1 3.66Å; L95-F106 HydrophobicContact CG-CE1 4.01Å; L95-F106 HydrophobicContact CG-CG 4.41Å
96	L	70.3	Confident	76.8	Confident	100 Å²	100	85 Å²	85	52%	0.524	45%	0.447	S	S	.	.			trans	-90.5	125.3	176.2	-70.6	162.2	0	0	0	110.1	R43 T103	R43-L96 WeakPolarHBondContact CD-O 3.22Å; L96-T103 HydrophobicContact CD2-CG2 3.59Å
97	P	61.8	Low	76.9	Confident	37 Å²	37	82.7 Å²	82.7	24%	0.24	44%	0.438	C	S	.	.			trans	-73.1	151.9	158.7	22.8	-19	0	0	0	110.4	I47 D99 E102	I47-P97 HydrophobicContact CD1-CB 4.21Å; I47-P97 HydrophobicContact CD1-CG 4.45Å; P97-D99 PolarHBondContact O-N 3.45Å; P97-D99 VanDerWaalsContact O-N 3.14Å; P97-E102 WeakPolarHBondContact CD-O 3.3Å; P97-E102 WeakPolarHBondContact CG-O 3.34Å
98	D	58.4	Low	77	Confident	102 Å²	102	74.7 Å²	74.7	55%	0.545	40%	0.403	S	S	.	.	S	Bend	trans	-57.8	-26.3	178.5	-65.2	-46.8	0	0	0	112.7	R44	R44-D98 IonicContact CZ-OD2 3.66Å; R44-D98 IonicContact NE-OD2 3.92Å; R44-D98 IonicContact NH2-OD2 2.67Å; R44-D98 PolarHBondContact NH2-OD2 2.86Å
99	D	54.8	Low	77.2	Confident	136 Å²	136	72.7 Å²	72.7	73%	0.727	39%	0.389	S	S	*	.	S	Bend	trans	-101.1	111.7	171.9	-74.9	-37.9	0	0	0	110.1	P97 K101	P97-D99 PolarHBondContact O-N 3.45Å; P97-D99 VanDerWaalsContact O-N 3.14Å; D99-K101 PolarHBondContact O-N 3.08Å
100	K	56.1	Low	77.3	Confident	205 Å²	205	71.8 Å²	71.8	89%	0.891	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	35.1	-169.1	-58.8	177.8	175.8	178.3	0	117.5
101	K	56.2	Low	77.5	Confident	196 Å²	196	73.9 Å²	73.9	85%	0.852	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-31.5	-174	-76.7	-173.6	175.3	-178.8	0	115.2	D99	D99-K101 PolarHBondContact O-N 3.08Å
102	E	58.3	Low	77.6	Confident	165 Å²	165	71.6 Å²	71.6	77%	0.771	38%	0.381	S	S	*	.			trans	-149.7	132.6	175.4	-70.4	-177	164.9	0	0	112.2	P97	P97-E102 WeakPolarHBondContact CD-O 3.3Å; P97-E102 WeakPolarHBondContact CG-O 3.34Å
103	T	72.6	Confident	77.7	Confident	89 Å²	89	71.6 Å²	71.6	55%	0.546	38%	0.381	S	S	.	.			trans	-96.9	119.4	176.7	57.3	0	0	0	0	110.2	L96	L96-T103 HydrophobicContact CD2-CG2 3.59Å
104	L	85.1	Confident	78	Confident	25 Å²	25	70.6 Å²	70.6	13%	0.131	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	115.1	175.3	-175.8	63.6	0	0	0	109.7	F46 I47 H50 H73 L95	F46-L104 HydrophobicContact CD1-CD2 4.4Å; F46-L104 HydrophobicContact CE1-CD2 4.07Å; I47-L104 HydrophobicContact CG1-CD2 4.3Å; H50-L104 HydrophobicContact CB-CD2 4.3Å; H73-L104 HydrophobicContact CB-CD1 4.13Å; H73-L104 HydrophobicContact CB-CD2 4.25Å; H73-L104 HydrophobicContact CB-CG 4.2Å; L95-L104 HydrophobicContact CB-CB 4.28Å; L95-L104 WeakPolarHBondContact CB-O 3.48Å; L95-L104 PolarHBondContact N-O 2.87Å; L95-L104 PolarHBondContact O-N 3.46Å; L95-L104 VanDerWaalsContact O-N 3.13Å
105	Q	89.9	Confident	78.3	Confident	73 Å²	73	69.9 Å²	69.9	34%	0.341	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	145.4	175.1	-69.3	-178.2	-12.5	0	0	110.8	H73 G74 S75 C78 I92 G93	H73-Q105 VanDerWaalsContact CA-O 3.25Å; H73-Q105 WeakPolarHBondContact CA-O 3.34Å; G74-Q105 PolarHBondContact N-O 3.33Å; G74-Q105 VanDerWaalsContact N-O 3.14Å; S75-Q105 VanDerWaalsContact CA-OE1 3.31Å; C78-Q105 PolarHBondContact SG-O 2.75Å; I92-Q105 HydrophobicContact CG2-CB 3.95Å; I92-Q105 HydrophobicContact CG2-CG 4.13Å; G93-Q105 VanDerWaalsContact O-CA 3.31Å; G93-Q105 WeakPolarHBondContact O-CA 3.26Å
106	F	91.3	Very high	78.6	Confident	25 Å²	25	73.5 Å²	73.5	11%	0.11	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.3	175.5	77.7	-83.9	0	0	0	112.9	L36 V72 H73 C78 G93 L95	L36-F106 HydrophobicContact CB-CD2 4.4Å; L36-F106 HydrophobicContact CB-CE2 3.84Å; L36-F106 HydrophobicContact CB-CZ 4.23Å; V72-F106 VanDerWaalsContact O-CA 3.24Å; V72-F106 WeakPolarHBondContact O-CA 3.49Å; H73-F106 WeakPolarHBondContact ND1-CB 3.49Å; C78-F106 WeakPolarHBondContact SG-CA 3.35Å; G93-F106 PolarHBondContact N-O 2.93Å; G93-F106 PolarHBondContact O-N 3.24Å; L95-F106 HydrophobicContact CD1-CB 3.95Å; L95-F106 HydrophobicContact CD1-CD1 3.67Å; L95-F106 HydrophobicContact CD1-CE1 4.42Å; L95-F106 HydrophobicContact CD1-CG 3.94Å; L95-F106 HydrophobicContact CG-CD1 3.66Å; L95-F106 HydrophobicContact CG-CE1 4.01Å; L95-F106 HydrophobicContact CG-CG 4.41Å
107	V	92.9	Very high	79.6	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.3	166.6	175.8	0	0	0	0	108.1	T71 V72 C78 A82 Y86 I92 M109	T71-V107 VanDerWaalsContact CA-O 3.28Å; T71-V107 WeakPolarHBondContact CA-O 3.42Å; V72-V107 HydrophobicContact CG2-CB 3.81Å; V72-V107 PolarHBondContact N-O 3.05Å; V72-V107 VanDerWaalsContact N-O 3.07Å; V72-V107 PolarHBondContact O-N 3.07Å; C78-V107 HydrophobicContact CB-CG2 3.77Å; A82-V107 HydrophobicContact CB-CG2 4.09Å; Y86-V107 HydrophobicContact CD2-CG1 4.24Å; Y86-V107 HydrophobicContact CE2-CG1 3.72Å; I92-V107 HydrophobicContact CB-CG2 4.45Å; I92-V107 HydrophobicContact CG1-CG2 3.84Å; V107-M109 HydrophobicContact CG1-CE 4.25Å
108	S	90.8	Very high	80.9	Confident	1 Å²	1	67 Å²	67	1%	0.007	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	140.7	175.9	178.3	0	0	0	0	111	R69 Y70 Y86	R69-S108 PolarHBondContact NE-OG 2.81Å; Y70-S108 WeakPolarHBondContact O-CA 3.19Å; Y86-S108 PolarHBondContact OH-O 3.31Å
109	M	92.1	Very high	82.2	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	154.2	-177.6	70.6	-157.9	73.8	0	0	112.6	F63 R69 Y70 V72 V81 Y86 V107 N113 F114	F63-M109 HydrophobicContact CD1-CE 4.47Å; F63-M109 HydrophobicContact CD1-SD 4.33Å; F63-M109 HydrophobicContact CE1-CE 4.11Å; F63-M109 HydrophobicContact CE1-SD 3.85Å; R69-M109 WeakPolarHBondContact CB-O 3.36Å; Y70-M109 PolarHBondContact N-O 2.84Å; Y70-M109 PolarHBondContact O-N 2.88Å; V72-M109 HydrophobicContact CG1-CE 4.13Å; V72-M109 HydrophobicContact CG2-CE 4.06Å; V81-M109 HydrophobicContact CG1-CE 3.54Å; V81-M109 HydrophobicContact CG1-SD 4.13Å; Y86-M109 WeakPolarHBondContact OH-CA 3.36Å; V107-M109 HydrophobicContact CG1-CE 4.25Å; M109-N113 HydrophobicContact CB-CB 3.86Å; M109-N113 HydrophobicContact CG-CB 4.44Å; M109-F114 HydrophobicContact CG-CB 4.08Å; M109-F114 HydrophobicContact SD-CB 4.15Å
110	S	90.9	Very high	83.6	Confident	52 Å²	52	60.4 Å²	60.4	36%	0.364	30%	0.299	S	S	.	.			trans	-72.4	166.3	171.7	62.2	0	0	0	0	111	G112 N113 F114	S110-G112 VanDerWaalsContact C-N 3.35Å; S110-G112 PolarHBondContact O-N 2.88Å; S110-N113 PolarHBondContact O-N 3.41Å; S110-N113 VanDerWaalsContact O-N 3.17Å; S110-N113 PolarHBondContact OG-N 3.21Å; S110-F114 PolarHBondContact O-N 2.75Å
111	K	88.1	Confident	85.2	Confident	127 Å²	127	50.7 Å²	50.7	55%	0.552	26%	0.257	S	S	*	.	H	α-helix	trans	-52.8	-48	174.3	-174.8	173.5	179.5	175.5	0	112.8	Y70 N113 F114 E115	Y70-K111 HydrophobicContact CE2-CB 4.3Å; Y70-K111 HydrophobicContact CE2-CG 4.26Å; K111-N113 VanDerWaalsContact C-N 3.32Å; K111-N113 PolarHBondContact O-N 2.93Å; K111-F114 WeakPolarHBondContact O-CB 3.33Å; K111-F114 PolarHBondContact O-N 2.9Å; K111-F114 VanDerWaalsContact O-N 3.16Å; K111-E115 WeakPolarHBondContact CE-OE1 3.19Å; K111-E115 WeakPolarHBondContact O-CG 3.44Å; K111-E115 PolarHBondContact O-N 2.85Å
112	G	85.7	Confident	86.6	Confident	41 Å²	41	41.4 Å²	41.4	42%	0.423	22%	0.217	S	C	.	.	H	α-helix	trans	-62.2	-35.4	179	0	0	0	0	0	114	S110 E115 L116	S110-G112 VanDerWaalsContact C-N 3.35Å; S110-G112 PolarHBondContact O-N 2.88Å; G112-E115 PolarHBondContact O-N 3.27Å; G112-L116 PolarHBondContact O-N 2.9Å; G112-L116 VanDerWaalsContact O-N 3.15Å
113	N	90	Very high	87.5	Confident	47 Å²	47	36.9 Å²	36.9	25%	0.251	20%	0.197	S	C	.	.	H	α-helix	trans	-73.1	-34.2	175.8	-80.7	-2.7	0	0	0	112.5	V85 M109 S110 K111 L116 A117	V85-N113 HydrophobicContact CG1-CB 3.57Å; V85-N113 VanDerWaalsContact CG1-CG 3.43Å; V85-N113 WeakPolarHBondContact CG1-ND2 3.4Å; M109-N113 HydrophobicContact CB-CB 3.86Å; M109-N113 HydrophobicContact CG-CB 4.44Å; S110-N113 PolarHBondContact O-N 3.41Å; S110-N113 VanDerWaalsContact O-N 3.17Å; S110-N113 PolarHBondContact OG-N 3.21Å; K111-N113 VanDerWaalsContact C-N 3.32Å; K111-N113 PolarHBondContact O-N 2.93Å; N113-L116 PolarHBondContact O-N 2.91Å; N113-A117 PolarHBondContact O-N 3.2Å
114	F	91.3	Very high	87.8	Confident	3 Å²	3	36.5 Å²	36.5	1%	0.013	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-47.5	170.9	162	-105.5	0	0	0	111.1	F63 Y70 M109 S110 K111 L116 A117 V118 V131 F153 I156	F63-F114 HydrophobicContact CB-CD2 4.46Å; F63-F114 HydrophobicContact CB-CE2 3.98Å; F63-F114 AromaticContact CD1-CD2 3.54Å; F63-F114 HydrophobicContact CD1-CD2 3.54Å; F63-F114 AromaticContact CD1-CE2 3.79Å; F63-F114 HydrophobicContact CD1-CE2 3.79Å; F63-F114 HydrophobicContact CD2-CE2 4.14Å; F63-F114 AromaticContact CE1-CD2 3.83Å; F63-F114 HydrophobicContact CE1-CD2 3.83Å; F63-F114 HydrophobicContact CE1-CE2 4.28Å; F63-F114 AromaticContact CG-CD2 3.97Å; F63-F114 HydrophobicContact CG-CD2 3.97Å; F63-F114 AromaticContact CG-CE2 3.7Å; F63-F114 HydrophobicContact CG-CE2 3.7Å; F63-F114 HydrophobicContact CZ-CD2 4.47Å; Y70-F114 HydrophobicContact CD1-CD1 4.29Å; Y70-F114 AromaticContact CD1-CD2 3.91Å; Y70-F114 HydrophobicContact CD1-CD2 3.91Å; Y70-F114 HydrophobicContact CD1-CE1 4.38Å; Y70-F114 HydrophobicContact CD1-CE2 4.03Å; Y70-F114 HydrophobicContact CD1-CG 4.03Å; Y70-F114 HydrophobicContact CD1-CZ 4.25Å; Y70-F114 HydrophobicContact CD2-CB 3.5Å; Y70-F114 VanDerWaalsContact CD2-CB 3.5Å; Y70-F114 AromaticContact CD2-CD1 3.78Å; Y70-F114 HydrophobicContact CD2-CD1 3.78Å; Y70-F114 HydrophobicContact CD2-CD2 4.22Å; Y70-F114 AromaticContact CD2-CG 3.57Å; Y70-F114 HydrophobicContact CD2-CG 3.57Å; Y70-F114 HydrophobicContact CE1-CD1 4.15Å; Y70-F114 HydrophobicContact CE1-CD2 4.46Å; Y70-F114 AromaticContact CE1-CE1 3.98Å; Y70-F114 HydrophobicContact CE1-CE1 3.98Å; Y70-F114 HydrophobicContact CE1-CE2 4.31Å; Y70-F114 HydrophobicContact CE1-CG 4.37Å; Y70-F114 HydrophobicContact CE1-CZ 4.06Å; Y70-F114 HydrophobicContact CE2-CB 4.16Å; Y70-F114 AromaticContact CE2-CD1 3.62Å; Y70-F114 HydrophobicContact CE2-CD1 3.62Å; Y70-F114 HydrophobicContact CE2-CE1 4.16Å; Y70-F114 AromaticContact CE2-CG 3.93Å; Y70-F114 HydrophobicContact CE2-CG 3.93Å; Y70-F114 HydrophobicContact CG-CB 3.81Å; Y70-F114 HydrophobicContact CG-CD1 4.13Å; Y70-F114 AromaticContact CG-CD2 3.8Å; Y70-F114 HydrophobicContact CG-CD2 3.8Å; Y70-F114 HydrophobicContact CG-CE2 4.38Å; Y70-F114 AromaticContact CG-CG 3.64Å; Y70-F114 HydrophobicContact CG-CG 3.64Å; Y70-F114 AromaticContact CZ-CD1 3.84Å; Y70-F114 AromaticContact CZ-CE1 3.88Å; M109-F114 HydrophobicContact CG-CB 4.08Å; M109-F114 HydrophobicContact SD-CB 4.15Å; S110-F114 PolarHBondContact O-N 2.75Å; K111-F114 WeakPolarHBondContact O-CB 3.33Å; K111-F114 PolarHBondContact O-N 2.9Å; K111-F114 VanDerWaalsContact O-N 3.16Å; F114-L116 VanDerWaalsContact C-N 3.27Å; F114-L116 PolarHBondContact O-N 2.92Å; F114-A117 PolarHBondContact O-N 3.28Å; F114-A117 VanDerWaalsContact O-N 3.11Å; F114-V118 HydrophobicContact CD2-CG2 3.8Å; F114-V118 HydrophobicContact CE1-CG2 4.31Å; F114-V118 HydrophobicContact CE2-CG2 3.37Å; F114-V118 HydrophobicContact CG-CG2 4.42Å; F114-V118 HydrophobicContact CZ-CG2 3.68Å; F114-V118 WeakPolarHBondContact O-CG2 3.47Å; F114-V118 PolarHBondContact O-N 2.85Å; F114-V131 HydrophobicContact CE2-CG2 4.03Å; F114-V131 HydrophobicContact CZ-CG2 3.79Å; F114-F153 HydrophobicContact CZ-CE1 4.21Å; F114-I156 HydrophobicContact CE1-CD1 3.78Å; F114-I156 HydrophobicContact CZ-CD1 4.37Å
115	E	88.4	Confident	87.5	Confident	42 Å²	42	40.2 Å²	40.2	20%	0.196	21%	0.207	C	C	.	.	H	α-helix	trans	-58.5	-39.5	176.9	-64.6	175	-175.7	0	0	111.8	K111 G112 R119 I156	K111-E115 WeakPolarHBondContact CE-OE1 3.19Å; K111-E115 WeakPolarHBondContact O-CG 3.44Å; K111-E115 PolarHBondContact O-N 2.85Å; G112-E115 PolarHBondContact O-N 3.27Å; E115-R119 WeakPolarHBondContact O-CB 3.47Å; E115-R119 PolarHBondContact O-N 2.85Å; E115-R119 VanDerWaalsContact O-N 3.1Å; E115-I156 HydrophobicContact CB-CG2 3.9Å; E115-I156 HydrophobicContact CG-CB 4.45Å; E115-I156 HydrophobicContact CG-CG1 4.37Å; E115-I156 HydrophobicContact CG-CG2 3.75Å
116	L	86.4	Confident	87.2	Confident	78 Å²	78	39.6 Å²	39.6	41%	0.408	21%	0.206	S	C	.	.	H	α-helix	trans	-63.8	-46.7	173.7	-174.2	156.8	0	0	0	112.1	I84 G112 N113 F114 R119 E120	I84-L116 HydrophobicContact CG2-CD2 3.86Å; G112-L116 PolarHBondContact O-N 2.9Å; G112-L116 VanDerWaalsContact O-N 3.15Å; N113-L116 PolarHBondContact O-N 2.91Å; F114-L116 VanDerWaalsContact C-N 3.27Å; F114-L116 PolarHBondContact O-N 2.92Å; L116-R119 PolarHBondContact O-N 2.82Å; L116-E120 PolarHBondContact O-N 3.22Å; L116-E120 VanDerWaalsContact O-N 3.12Å
117	A	90.4	Very high	87.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.3	-45.7	-180	0	0	0	0	0	111.7	F63 V81 I84 V85 N113 F114 R119 E120 L121	F63-A117 HydrophobicContact CE1-CB 4.32Å; F63-A117 HydrophobicContact CZ-CB 4.1Å; V81-A117 HydrophobicContact CG1-CB 4.28Å; I84-A117 HydrophobicContact CG2-CB 4.49Å; V85-A117 HydrophobicContact CG2-CB 3.82Å; N113-A117 PolarHBondContact O-N 3.2Å; F114-A117 PolarHBondContact O-N 3.28Å; F114-A117 VanDerWaalsContact O-N 3.11Å; A117-R119 VanDerWaalsContact C-N 3.33Å; A117-R119 PolarHBondContact O-N 2.93Å; A117-E120 PolarHBondContact O-N 3.33Å; A117-L121 WeakPolarHBondContact O-CB 3.38Å; A117-L121 WeakPolarHBondContact O-CG 3.4Å; A117-L121 PolarHBondContact O-N 2.83Å
118	V	89.9	Confident	86.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.9	-42	177.7	170.8	0	0	0	0	111.3	F63 F114 L121 L122 V129 F153 I156 L157	F63-V118 HydrophobicContact CE2-CG2 4.34Å; F63-V118 HydrophobicContact CZ-CG2 4.47Å; F114-V118 HydrophobicContact CD2-CG2 3.8Å; F114-V118 HydrophobicContact CE1-CG2 4.31Å; F114-V118 HydrophobicContact CE2-CG2 3.37Å; F114-V118 HydrophobicContact CG-CG2 4.42Å; F114-V118 HydrophobicContact CZ-CG2 3.68Å; F114-V118 WeakPolarHBondContact O-CG2 3.47Å; F114-V118 PolarHBondContact O-N 2.85Å; V118-L121 PolarHBondContact O-N 2.93Å; V118-L122 HydrophobicContact CG1-CD1 3.54Å; V118-L122 HydrophobicContact CG1-CG 4.2Å; V118-L122 WeakPolarHBondContact O-CB 3.4Å; V118-L122 WeakPolarHBondContact O-CG 3.38Å; V118-L122 PolarHBondContact O-N 2.91Å; V118-V129 HydrophobicContact CG2-CG1 4.22Å; V118-F153 HydrophobicContact CG1-CD1 3.55Å; V118-F153 HydrophobicContact CG1-CE1 3.9Å; V118-F153 HydrophobicContact CG1-CG 4.19Å; V118-F153 HydrophobicContact CG2-CE1 4.28Å; V118-I156 HydrophobicContact CB-CG2 4.46Å; V118-I156 HydrophobicContact CG1-CG2 4.3Å; V118-L157 HydrophobicContact CG1-CD2 4.15Å
119	R	84.8	Confident	87	Confident	39 Å²	39	43.7 Å²	43.7	15%	0.147	22%	0.221	C	C	.	.	H	α-helix	trans	-59.5	-49.8	176.6	-173.6	-176.1	-78.6	97.2	8.3	112.1	E115 L116 A117 L121 L123 I156 L157 E162	E115-R119 WeakPolarHBondContact O-CB 3.47Å; E115-R119 PolarHBondContact O-N 2.85Å; E115-R119 VanDerWaalsContact O-N 3.1Å; L116-R119 PolarHBondContact O-N 2.82Å; A117-R119 VanDerWaalsContact C-N 3.33Å; A117-R119 PolarHBondContact O-N 2.93Å; R119-L121 PolarHBondContact O-N 2.82Å; R119-L123 HydrophobicContact CG-CD1 3.74Å; R119-L123 HydrophobicContact CG-CG 4.39Å; R119-L123 VanDerWaalsContact O-CB 3.27Å; R119-L123 WeakPolarHBondContact O-CB 3.3Å; R119-L123 WeakPolarHBondContact O-CG 3.31Å; R119-L123 PolarHBondContact O-N 2.84Å; R119-I156 PolarHBondContact NH2-O 2.91Å; R119-L157 HydrophobicContact CB-CD2 4Å; R119-L157 HydrophobicContact CG-CD2 4.34Å; R119-L157 PolarHBondContact NH2-O 3.38Å; R119-E162 WeakPolarHBondContact CD-OE2 3.46Å; R119-E162 IonicContact CZ-OE2 3.46Å; R119-E162 IonicContact NE-OE1 2.6Å; R119-E162 IonicContact NE-OE2 3.61Å; R119-E162 PolarHBondContact NE-OE2 2.83Å
120	E	84.7	Confident	87.1	Confident	61 Å²	61	45.4 Å²	45.4	29%	0.285	23%	0.229	S	C	.	.	I	π-helix	trans	-61.8	-43.6	177.8	178.6	71.5	-174.1	0	0	111.8	I84 L116 A117 V124 R125	I84-E120 HydrophobicContact CD1-CG 3.98Å; I84-E120 HydrophobicContact CG1-CG 4.05Å; I84-E120 HydrophobicContact CG2-CB 3.92Å; I84-E120 HydrophobicContact CG2-CG 3.89Å; L116-E120 PolarHBondContact O-N 3.22Å; L116-E120 VanDerWaalsContact O-N 3.12Å; A117-E120 PolarHBondContact O-N 3.33Å; E120-V124 WeakPolarHBondContact O-CB 3.34Å; E120-V124 PolarHBondContact O-N 2.86Å; E120-V124 VanDerWaalsContact O-N 3.15Å; E120-R125 HydrophobicContact CG-CG 4.47Å; E120-R125 PolarHBondContact O-N 3.02Å; E120-R125 IonicContact OE1-NE 3.97Å
121	L	89.1	Confident	87.1	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	I	π-helix	trans	-65.3	-49.6	-179.1	-71.1	170.2	0	0	0	111.7	V61 F63 L80 I84 A117 V118 R119 N126 Y127 V129	V61-L121 HydrophobicContact CB-CD1 3.98Å; V61-L121 HydrophobicContact CG1-CD1 4.13Å; V61-L121 HydrophobicContact CG2-CD1 3.94Å; V61-L121 HydrophobicContact CG2-CD2 3.95Å; F63-L121 HydrophobicContact CE2-CD1 3.8Å; F63-L121 HydrophobicContact CZ-CD1 3.81Å; L80-L121 HydrophobicContact CD2-CD2 3.89Å; L80-L121 HydrophobicContact CG-CD2 4.45Å; I84-L121 HydrophobicContact CD1-CD2 3.96Å; I84-L121 HydrophobicContact CD1-CG 4.26Å; A117-L121 WeakPolarHBondContact O-CB 3.38Å; A117-L121 WeakPolarHBondContact O-CG 3.4Å; A117-L121 PolarHBondContact O-N 2.83Å; V118-L121 PolarHBondContact O-N 2.93Å; R119-L121 PolarHBondContact O-N 2.82Å; L121-N126 PolarHBondContact O-N 3.34Å; L121-Y127 HydrophobicContact CD2-CD2 3.84Å; L121-Y127 HydrophobicContact CD2-CG 4.13Å; L121-Y127 PolarHBondContact O-N 3.07Å; L121-V129 HydrophobicContact CB-CG2 4.07Å; L121-V129 HydrophobicContact CD1-CG2 4.18Å
122	L	85.4	Confident	87.4	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.189	C	C	.	.	I	π-helix	trans	-76.8	-41.6	-175	-66.2	176.7	0	0	0	112.9	V118 Y127 V129 L150 F153 L157	V118-L122 HydrophobicContact CG1-CD1 3.54Å; V118-L122 HydrophobicContact CG1-CG 4.2Å; V118-L122 WeakPolarHBondContact O-CB 3.4Å; V118-L122 WeakPolarHBondContact O-CG 3.38Å; V118-L122 PolarHBondContact O-N 2.91Å; L122-Y127 WeakPolarHBondContact CD2-O 3.47Å; L122-V129 HydrophobicContact CD1-CG2 4.47Å; L122-V129 HydrophobicContact CD2-CB 4.2Å; L122-V129 HydrophobicContact CD2-CG2 3.78Å; L122-V129 HydrophobicContact CG-CG2 3.91Å; L122-L150 HydrophobicContact CB-CD2 3.88Å; L122-L150 HydrophobicContact CD1-CD2 3.83Å; L122-L150 HydrophobicContact CD2-CD2 4.38Å; L122-L150 HydrophobicContact CG-CD2 4.25Å; L122-F153 HydrophobicContact CD1-CB 4.23Å; L122-F153 HydrophobicContact CD1-CD2 4.22Å; L122-F153 HydrophobicContact CD1-CG 4.09Å; L122-L157 HydrophobicContact CD1-CD1 3.98Å; L122-L157 HydrophobicContact CD1-CD2 4.39Å
123	L	78.2	Confident	87.7	Confident	70 Å²	70	37.5 Å²	37.5	37%	0.366	18%	0.18	S	C	.	.	I	π-helix	trans	-96.5	-26.3	-169.7	-54.3	-174.6	0	0	0	114.3	R119 L150 L157	R119-L123 HydrophobicContact CG-CD1 3.74Å; R119-L123 HydrophobicContact CG-CG 4.39Å; R119-L123 VanDerWaalsContact O-CB 3.27Å; R119-L123 WeakPolarHBondContact O-CB 3.3Å; R119-L123 WeakPolarHBondContact O-CG 3.31Å; R119-L123 PolarHBondContact O-N 2.84Å; L123-L150 HydrophobicContact CD2-CD1 3.68Å; L123-L157 HydrophobicContact CD1-CD2 4.44Å; L123-L157 HydrophobicContact CG-CD2 4.44Å
124	V	77.4	Confident	87.4	Confident	81 Å²	81	41.1 Å²	41.1	49%	0.491	19%	0.193	S	C	.	.	I	π-helix	trans	-108.6	-51	-174.5	-177	0	0	0	0	111	E120	E120-V124 WeakPolarHBondContact O-CB 3.34Å; E120-V124 PolarHBondContact O-N 2.86Å; E120-V124 VanDerWaalsContact O-N 3.15Å
125	R	80.6	Confident	86.9	Confident	104 Å²	104	45.2 Å²	45.2	39%	0.392	22%	0.215	S	C	.	.	S	Bend	trans	-86.5	-11.4	-175	-62.2	-170.5	177.2	-130.6	-0.3	113.9	E120 Y127	E120-R125 HydrophobicContact CG-CG 4.47Å; E120-R125 PolarHBondContact O-N 3.02Å; E120-R125 IonicContact OE1-NE 3.97Å; R125-Y127 HydrophobicContact CB-CD1 3.66Å; R125-Y127 HydrophobicContact CB-CE1 3.94Å; R125-Y127 HydrophobicContact CB-CG 4.26Å; R125-Y127 WeakPolarHBondContact O-CD1 3.39Å
126	N	82.1	Confident	86	Confident	60 Å²	60	48.9 Å²	48.9	32%	0.321	25%	0.245	S	C	.	.			trans	54.1	49.4	-172.3	-62.2	-38.1	0	0	0	112.2	L121 P147 M244	L121-N126 PolarHBondContact O-N 3.34Å; N126-P147 VanDerWaalsContact CA-CG 3.45Å; N126-P147 HydrophobicContact CB-CG 3.86Å; N126-M244 HydrophobicContact CB-CE 4.47Å; N126-M244 WeakPolarHBondContact O-CE 3.28Å
127	Y	89	Confident	85.1	Confident	56 Å²	56	50.3 Å²	50.3	22%	0.22	26%	0.262	C	S	.	.			trans	-98.6	163.7	176.8	-83	35.8	0	0	0	110.4	T59 V61 L80 L121 L122 R125 P147	T59-Y127 HydrophobicContact CG2-CD1 4.47Å; T59-Y127 HydrophobicContact CG2-CE1 4.23Å; T59-Y127 CarbonylContact O-C 3.54Å; T59-Y127 VanDerWaalsContact O-CA 3.3Å; T59-Y127 WeakPolarHBondContact O-CA 3.23Å; T59-Y127 VanDerWaalsContact O-CB 3.26Å; T59-Y127 WeakPolarHBondContact O-CB 3.43Å; V61-Y127 HydrophobicContact CG2-CD2 4.01Å; L80-Y127 HydrophobicContact CD2-CD2 4.04Å; L80-Y127 HydrophobicContact CD2-CE2 3.62Å; L121-Y127 HydrophobicContact CD2-CD2 3.84Å; L121-Y127 HydrophobicContact CD2-CG 4.13Å; L121-Y127 PolarHBondContact O-N 3.07Å; L122-Y127 WeakPolarHBondContact CD2-O 3.47Å; R125-Y127 HydrophobicContact CB-CD1 3.66Å; R125-Y127 HydrophobicContact CB-CE1 3.94Å; R125-Y127 HydrophobicContact CB-CG 4.26Å; R125-Y127 WeakPolarHBondContact O-CD1 3.39Å; Y127-P147 WeakPolarHBondContact O-CD 3.35Å
128	R	90	Very high	84.6	Confident	55 Å²	55	54.2 Å²	54.2	21%	0.208	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	149.4	168.7	-61.1	-174.9	-172.7	133.8	7.9	110.3	T59 T60 V61 G145 M244 I245 T246	T59-R128 PolarHBondContact O-N 2.93Å; T60-R128 CarbonylContact C-O 3.57Å; T60-R128 WeakPolarHBondContact CA-O 3.48Å; T60-R128 HydrophobicContact CG2-CB 4.23Å; V61-R128 PolarHBondContact N-O 3.12Å; R128-G145 CarbonylContact C-O 3.57Å; R128-G145 VanDerWaalsContact CA-O 3.31Å; R128-G145 WeakPolarHBondContact CA-O 3.47Å; R128-M244 HydrophobicContact CG-CE 4.29Å; R128-M244 HydrophobicContact CG-SD 4.09Å; R128-I245 PolarHBondContact NH2-O 3.39Å; R128-T246 PolarHBondContact NH2-OG1 3.4Å
129	V	92.9	Very high	84.5	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.7	179.3	176.7	0	0	0	0	108.8	V61 F63 V118 L121 L122 V131 R144 G145 F153	V61-V129 WeakPolarHBondContact O-CA 3.31Å; F63-V129 HydrophobicContact CD2-CG1 3.74Å; F63-V129 HydrophobicContact CE2-CG1 3.91Å; F63-V129 HydrophobicContact CE2-CG2 4.47Å; V118-V129 HydrophobicContact CG2-CG1 4.22Å; L121-V129 HydrophobicContact CB-CG2 4.07Å; L121-V129 HydrophobicContact CD1-CG2 4.18Å; L122-V129 HydrophobicContact CD1-CG2 4.47Å; L122-V129 HydrophobicContact CD2-CB 4.2Å; L122-V129 HydrophobicContact CD2-CG2 3.78Å; L122-V129 HydrophobicContact CG-CG2 3.91Å; V129-V131 HydrophobicContact CG1-CG2 4.16Å; V129-R144 WeakPolarHBondContact O-CA 2.93Å; V129-G145 PolarHBondContact N-O 2.97Å; V129-G145 PolarHBondContact O-N 3.2Å; V129-F153 HydrophobicContact CB-CZ 4.27Å; V129-F153 HydrophobicContact CG1-CE1 4.08Å; V129-F153 HydrophobicContact CG1-CE2 4.48Å; V129-F153 HydrophobicContact CG1-CZ 3.69Å
130	E	93.2	Very high	84.7	Confident	36 Å²	36	58.8 Å²	58.8	17%	0.168	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.4	169.7	-61.6	179.4	152.9	0	0	108.2	T60 V61 R62 F63 Y132	T60-E130 HydrophobicContact CG2-CG 4.03Å; V61-E130 PolarHBondContact O-N 2.84Å; R62-E130 CarbonylContact C-O 3.39Å; R62-E130 WeakPolarHBondContact CA-O 3.46Å; R62-E130 HydrophobicContact CG-CB 4.24Å; R62-E130 WeakPolarHBondContact CG-OE2 3.47Å; R62-E130 IonicContact CZ-OE2 3.08Å; R62-E130 IonicContact NE-OE2 3.46Å; R62-E130 PolarHBondContact NE-OE2 3.1Å; R62-E130 IonicContact NH2-OE2 3.39Å; F63-E130 PolarHBondContact N-O 3.22Å; E130-Y132 HydrophobicContact CB-CD2 4.48Å; E130-Y132 HydrophobicContact CB-CE2 3.92Å
131	V	92.6	Very high	84.7	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.3	176.5	-179.8	0	0	0	0	108.6	F63 Y70 F114 V129 V133 E142 Y143 F153	F63-V131 HydrophobicContact CB-CG2 4.23Å; F63-V131 WeakPolarHBondContact O-CA 3.17Å; Y70-V131 HydrophobicContact CE1-CG1 4.34Å; F114-V131 HydrophobicContact CE2-CG2 4.03Å; F114-V131 HydrophobicContact CZ-CG2 3.79Å; V129-V131 HydrophobicContact CG1-CG2 4.16Å; V131-V133 HydrophobicContact CG1-CG2 4.4Å; V131-E142 PolarHBondContact O-N 3.35Å; V131-Y143 HydrophobicContact CB-CD2 3.97Å; V131-Y143 HydrophobicContact CG1-CD2 4.01Å; V131-Y143 PolarHBondContact N-O 2.89Å; V131-Y143 PolarHBondContact O-N 3.4Å; V131-F153 HydrophobicContact CG2-CE1 3.84Å; V131-F153 HydrophobicContact CG2-CZ 3.64Å
132	Y	93.2	Very high	84.6	Confident	14 Å²	14	62.8 Å²	62.8	6%	0.055	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.5	177.9	-71.6	-100.9	0	0	0	110.2	F49 L53 R62 F63 F64 D65 E130 W139 E140 I141	F49-Y132 HydrophobicContact CE1-CD1 4.42Å; F49-Y132 HydrophobicContact CZ-CD1 4.09Å; F49-Y132 HydrophobicContact CZ-CE1 4.15Å; L53-Y132 HydrophobicContact CD1-CE1 4.47Å; L53-Y132 HydrophobicContact CD2-CE1 3.76Å; R62-Y132 HydrophobicContact CB-CD2 4.5Å; R62-Y132 HydrophobicContact CB-CE2 4.21Å; R62-Y132 HydrophobicContact CG-CE2 4Å; F63-Y132 PolarHBondContact O-N 3.31Å; F64-Y132 WeakPolarHBondContact CA-O 3.34Å; F64-Y132 HydrophobicContact CD1-CD2 4.4Å; F64-Y132 HydrophobicContact CD1-CG 4.13Å; F64-Y132 HydrophobicContact CE1-CD1 4.48Å; F64-Y132 AromaticContact CE1-CD2 3.93Å; F64-Y132 HydrophobicContact CE1-CD2 3.93Å; F64-Y132 AromaticContact CE1-CG 3.85Å; F64-Y132 HydrophobicContact CE1-CG 3.85Å; F64-Y132 HydrophobicContact CZ-CD2 4.34Å; D65-Y132 PolarHBondContact N-O 2.96Å; E130-Y132 HydrophobicContact CB-CD2 4.48Å; E130-Y132 HydrophobicContact CB-CE2 3.92Å; Y132-W139 HydrophobicContact CD1-CB 4.47Å; Y132-W139 WeakPolarHBondContact O-CZ3 3.46Å; Y132-E140 CarbonylContact C-O 3.53Å; Y132-E140 VanDerWaalsContact CA-O 3.23Å; Y132-E140 WeakPolarHBondContact CA-O 3.31Å; Y132-I141 HydrophobicContact CD1-CG1 3.79Å; Y132-I141 HydrophobicContact CD2-CG1 4.38Å; Y132-I141 HydrophobicContact CE1-CD1 4.03Å; Y132-I141 HydrophobicContact CE1-CG1 3.3Å; Y132-I141 HydrophobicContact CE2-CD1 4.48Å; Y132-I141 HydrophobicContact CE2-CG1 3.94Å; Y132-I141 HydrophobicContact CG-CG1 4.31Å
133	V	91.1	Very high	84.3	Confident	39 Å²	39	66.4 Å²	66.4	24%	0.236	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.8	175.6	179.8	0	0	0	0	109.7	D65 V131 N135 E140 E142	D65-V133 HydrophobicContact CB-CG2 3.61Å; V131-V133 HydrophobicContact CG1-CG2 4.4Å; V133-N135 PolarHBondContact O-N 3.39Å; V133-E140 PolarHBondContact N-O 2.88Å; V133-E140 PolarHBondContact O-N 2.96Å; V133-E142 HydrophobicContact CB-CB 4.19Å; V133-E142 HydrophobicContact CG2-CB 3.8Å; V133-E142 HydrophobicContact CG2-CG 4.45Å; V133-E142 WeakPolarHBondContact CG2-OE2 3.25Å
134	K	85.1	Confident	84.8	Confident	123 Å²	123	70 Å²	70	54%	0.535	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	114.8	-177.7	-170.6	-179.7	179.1	-173.3	0	110.1	W139	K134-W139 HydrophobicContact CB-CD2 4.22Å; K134-W139 HydrophobicContact CB-CE3 4.22Å; K134-W139 HydrophobicContact CB-CH2 4.38Å; K134-W139 HydrophobicContact CB-CZ2 4.37Å; K134-W139 HydrophobicContact CB-CZ3 4.3Å
135	N	79.4	Confident	85.2	Confident	88 Å²	88	66.3 Å²	66.3	47%	0.471	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.5	175.7	-166.9	4.2	0	0	0	110	V133 S137 D138 E140	V133-N135 PolarHBondContact O-N 3.39Å; N135-S137 PolarHBondContact O-N 2.85Å; N135-D138 PolarHBondContact N-O 2.71Å; N135-D138 PolarHBondContact O-N 2.69Å; N135-D138 VanDerWaalsContact O-N 3.07Å; N135-E140 PolarHBondContact ND2-OE2 3.28Å
136	S	70.8	Confident	85.5	Confident	119 Å²	119	61.5 Å²	61.5	83%	0.832	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	-56.2	176.9	-54	0	0	0	0	116.9
137	S	67.6	Low	85.4	Confident	108 Å²	108	58.9 Å²	58.9	76%	0.755	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.1	-11.7	177.9	52	0	0	0	0	115.6	N135	N135-S137 PolarHBondContact O-N 2.85Å
138	D	78.8	Confident	85	Confident	82 Å²	82	56.2 Å²	56.2	44%	0.439	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	167	-178	-143.3	-11.8	0	0	0	111.7	F49 N135	F49-D138 WeakPolarHBondContact CD2-OD1 3.42Å; N135-D138 PolarHBondContact N-O 2.71Å; N135-D138 PolarHBondContact O-N 2.69Å; N135-D138 VanDerWaalsContact O-N 3.07Å
139	W	88	Confident	84.6	Confident	25 Å²	25	54.5 Å²	54.5	10%	0.095	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	126.9	179.2	-71.6	88.3	0	0	0	110.4	F46 F49 F64 D65 H66 Y132 K134	F46-W139 AromaticContact CD2-CE2 3.66Å; F46-W139 AromaticContact CD2-CZ2 3.67Å; F46-W139 HydrophobicContact CD2-CZ2 3.67Å; F46-W139 AromaticContact CD2-NE1 3.54Å; F46-W139 HydrophobicContact CE2-CD2 4.49Å; F46-W139 AromaticContact CE2-CE2 3.86Å; F46-W139 HydrophobicContact CE2-CH2 4.37Å; F46-W139 AromaticContact CE2-CZ2 3.79Å; F46-W139 HydrophobicContact CE2-CZ2 3.79Å; F49-W139 HydrophobicContact CD1-CB 3.9Å; F49-W139 AromaticContact CD1-CD1 3.69Å; F49-W139 AromaticContact CD1-CG 3.9Å; F49-W139 HydrophobicContact CD1-CG 3.9Å; F49-W139 HydrophobicContact CD2-CB 4.12Å; F49-W139 HydrophobicContact CE1-CB 3.38Å; F49-W139 AromaticContact CE1-CG 3.8Å; F49-W139 HydrophobicContact CE1-CG 3.8Å; F49-W139 HydrophobicContact CE2-CB 3.64Å; F49-W139 HydrophobicContact CG-CB 4.26Å; F49-W139 AromaticContact CG-CD1 3.84Å; F49-W139 HydrophobicContact CG-CG 4.33Å; F49-W139 HydrophobicContact CZ-CB 3.26Å; F49-W139 HydrophobicContact CZ-CG 4.15Å; F64-W139 HydrophobicContact CB-CE3 4.46Å; F64-W139 HydrophobicContact CB-CH2 3.94Å; F64-W139 HydrophobicContact CB-CZ3 3.75Å; F64-W139 HydrophobicContact CD1-CD2 4.33Å; F64-W139 AromaticContact CD1-CE3 3.93Å; F64-W139 HydrophobicContact CD1-CE3 3.93Å; F64-W139 HydrophobicContact CD1-CZ3 4.07Å; F64-W139 HydrophobicContact CG-CZ3 4.43Å; D65-W139 WeakPolarHBondContact O-CH2 3.37Å; D65-W139 VanDerWaalsContact O-CZ3 3.28Å; D65-W139 WeakPolarHBondContact O-CZ3 3.46Å; H66-W139 AromaticContact CE1-CH2 3.56Å; H66-W139 AromaticContact CE1-CZ2 3.76Å; H66-W139 AromaticContact ND1-CH2 3.82Å; H66-W139 AromaticContact NE2-CH2 3.94Å; Y132-W139 HydrophobicContact CD1-CB 4.47Å; Y132-W139 WeakPolarHBondContact O-CZ3 3.46Å; K134-W139 HydrophobicContact CB-CD2 4.22Å; K134-W139 HydrophobicContact CB-CE3 4.22Å; K134-W139 HydrophobicContact CB-CH2 4.38Å; K134-W139 HydrophobicContact CB-CZ2 4.37Å; K134-W139 HydrophobicContact CB-CZ3 4.3Å
140	E	88.6	Confident	84	Confident	111 Å²	111	54.5 Å²	54.5	52%	0.519	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	151.7	-179.3	-64.8	178.8	164.4	0	0	109.6	Y132 V133 N135 E142	Y132-E140 CarbonylContact C-O 3.53Å; Y132-E140 VanDerWaalsContact CA-O 3.23Å; Y132-E140 WeakPolarHBondContact CA-O 3.31Å; V133-E140 PolarHBondContact N-O 2.88Å; V133-E140 PolarHBondContact O-N 2.96Å; N135-E140 PolarHBondContact ND2-OE2 3.28Å; E140-E142 PolarHBondContact O-N 2.9Å
141	I	86	Confident	83.1	Confident	56 Å²	56	53.5 Å²	53.5	29%	0.287	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	117.8	174.7	-62.7	169	0	0	0	107.6	Y132 Y143 R144	Y132-I141 HydrophobicContact CD1-CG1 3.79Å; Y132-I141 HydrophobicContact CD2-CG1 4.38Å; Y132-I141 HydrophobicContact CE1-CD1 4.03Å; Y132-I141 HydrophobicContact CE1-CG1 3.3Å; Y132-I141 HydrophobicContact CE2-CD1 4.48Å; Y132-I141 HydrophobicContact CE2-CG1 3.94Å; Y132-I141 HydrophobicContact CG-CG1 4.31Å; I141-Y143 WeakPolarHBondContact CG2-O 3.34Å; I141-R144 HydrophobicContact CG2-CG 3.66Å
142	E	85.8	Confident	82.4	Confident	88 Å²	88	57.9 Å²	57.9	41%	0.411	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-42.6	172.9	-166.4	-177.3	-173.3	0	0	110.6	V131 V133 E140	V131-E142 PolarHBondContact O-N 3.35Å; V133-E142 HydrophobicContact CB-CB 4.19Å; V133-E142 HydrophobicContact CG2-CB 3.8Å; V133-E142 HydrophobicContact CG2-CG 4.45Å; V133-E142 WeakPolarHBondContact CG2-OE2 3.25Å; E140-E142 PolarHBondContact O-N 2.9Å
143	Y	80.5	Confident	81.7	Confident	78 Å²	78	57.2 Å²	57.2	31%	0.306	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.2	-176.9	-47.3	-71.9	0	0	0	113.3	V131 I141 Q152	V131-Y143 HydrophobicContact CB-CD2 3.97Å; V131-Y143 HydrophobicContact CG1-CD2 4.01Å; V131-Y143 PolarHBondContact N-O 2.89Å; V131-Y143 PolarHBondContact O-N 3.4Å; I141-Y143 WeakPolarHBondContact CG2-O 3.34Å; Y143-Q152 HydrophobicContact CD1-CB 4.06Å
144	R	87.6	Confident	80.9	Confident	144 Å²	144	56 Å²	56	54%	0.543	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.2	167.7	-65.6	-172.3	-178.3	161.4	4.9	110.3	V129 I141 Q152	V129-R144 WeakPolarHBondContact O-CA 2.93Å; I141-R144 HydrophobicContact CG2-CG 3.66Å; R144-Q152 PolarHBondContact O-OE1 2.78Å
145	G	87	Confident	80.2	Confident	5 Å²	5	54.2 Å²	54.2	5%	0.052	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	137.3	-178.8	0	0	0	0	0	109.6	R128 V129 N149	R128-G145 CarbonylContact C-O 3.57Å; R128-G145 VanDerWaalsContact CA-O 3.31Å; R128-G145 WeakPolarHBondContact CA-O 3.47Å; V129-G145 PolarHBondContact N-O 2.97Å; V129-G145 PolarHBondContact O-N 3.2Å; G145-N149 WeakPolarHBondContact CA-O 3.48Å
146	S	86.5	Confident	79.8	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.021	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-137.5	165	168.4	61.6	0	0	0	0	108.2	G148 N149 L150 E221	S146-G148 PolarHBondContact O-N 3.5Å; S146-G148 VanDerWaalsContact O-N 3.1Å; S146-N149 PolarHBondContact N-O 2.65Å; S146-N149 CarbonylContact O-C 3.54Å; S146-N149 PolarHBondContact O-N 3.36Å; S146-N149 VanDerWaalsContact O-O 3.11Å; S146-N149 WeakPolarHBondContact OG-CB 3.4Å; S146-N149 PolarHBondContact OG-N 3.32Å; S146-N149 VanDerWaalsContact OG-N 3.12Å; S146-L150 WeakPolarHBondContact O-CD2 3.36Å; S146-E221 VanDerWaalsContact CB-OE2 3.22Å; S146-E221 WeakPolarHBondContact CB-OE2 3.43Å; S146-E221 PolarHBondContact OG-OE2 2.68Å
147	P	80.8	Confident	79.7	Confident	4 Å²	4	45.7 Å²	45.7	3%	0.026	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.9	178.7	-27.2	39	0	0	0	113.2	N126 Y127 K220 M244	N126-P147 VanDerWaalsContact CA-CG 3.45Å; N126-P147 HydrophobicContact CB-CG 3.86Å; Y127-P147 WeakPolarHBondContact O-CD 3.35Å; P147-K220 HydrophobicContact CB-CB 4.01Å; P147-K220 WeakPolarHBondContact O-CB 3.36Å; P147-M244 VanDerWaalsContact CD-CE 3.49Å; P147-M244 HydrophobicContact CG-CE 3.64Å
148	G	78.8	Confident	79.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-13	173.5	0	0	0	0	0	115.4	S146 E221	S146-G148 PolarHBondContact O-N 3.5Å; S146-G148 VanDerWaalsContact O-N 3.1Å; G148-E221 WeakPolarHBondContact CA-OE2 3.46Å; G148-E221 PolarHBondContact N-OE2 3.17Å
149	N	82.8	Confident	78.5	Confident	19 Å²	19	41.9 Å²	41.9	10%	0.102	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-130.5	87.2	178.7	-175.5	14.6	0	0	0	110.4	G145 S146 L151 Q191 L296	G145-N149 WeakPolarHBondContact CA-O 3.48Å; S146-N149 PolarHBondContact N-O 2.65Å; S146-N149 CarbonylContact O-C 3.54Å; S146-N149 PolarHBondContact O-N 3.36Å; S146-N149 VanDerWaalsContact O-O 3.11Å; S146-N149 WeakPolarHBondContact OG-CB 3.4Å; S146-N149 PolarHBondContact OG-N 3.32Å; S146-N149 VanDerWaalsContact OG-N 3.12Å; N149-L151 WeakPolarHBondContact OD1-CB 3.44Å; N149-Q191 PolarHBondContact OD1-NE2 2.9Å; N149-L296 HydrophobicContact CB-CD2 4.03Å
150	L	79.6	Confident	76.5	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	22%	0.223	C	C	.	.			trans	-97.4	2	178.6	-53.9	-179.2	0	0	0	112.9	L122 L123 S146 Q152 F153 E154 L157 F158 N167	L122-L150 HydrophobicContact CB-CD2 3.88Å; L122-L150 HydrophobicContact CD1-CD2 3.83Å; L122-L150 HydrophobicContact CD2-CD2 4.38Å; L122-L150 HydrophobicContact CG-CD2 4.25Å; L123-L150 HydrophobicContact CD2-CD1 3.68Å; S146-L150 WeakPolarHBondContact O-CD2 3.36Å; L150-Q152 VanDerWaalsContact C-N 3.29Å; L150-Q152 PolarHBondContact O-N 3.26Å; L150-F153 CarbonylContact O-C 3.47Å; L150-F153 PolarHBondContact O-N 2.82Å; L150-E154 PolarHBondContact O-N 3.03Å; L150-E154 VanDerWaalsContact O-N 3.11Å; L150-L157 HydrophobicContact CB-CD1 3.94Å; L150-L157 HydrophobicContact CD1-CD1 4.14Å; L150-L157 HydrophobicContact CD2-CD1 3.86Å; L150-L157 HydrophobicContact CG-CD1 4.22Å; L150-F158 HydrophobicContact CD1-CZ 4Å; L150-N167 WeakPolarHBondContact CB-ND2 3.3Å; L150-N167 WeakPolarHBondContact CD1-ND2 3.3Å; L150-N167 VanDerWaalsContact CD1-OD1 3.3Å; L150-N167 WeakPolarHBondContact CD1-OD1 3.48Å
151	L	74.8	Confident	74.6	Confident	15 Å²	15	50.4 Å²	50.4	8%	0.079	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-53.2	-44.9	-168.1	-160.8	81.8	0	0	0	112.8	N149 F153 Q191	N149-L151 WeakPolarHBondContact OD1-CB 3.44Å; L151-F153 VanDerWaalsContact C-N 3.28Å; L151-F153 PolarHBondContact O-N 2.92Å; L151-Q191 HydrophobicContact CD1-CB 4.34Å
152	Q	78	Confident	72.9	Confident	93 Å²	93	50.9 Å²	50.9	44%	0.435	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-78	-13.6	-177.2	-67.1	-174.5	-9.4	0	0	113.5	Y143 R144 L150	Y143-Q152 HydrophobicContact CD1-CB 4.06Å; R144-Q152 PolarHBondContact O-OE1 2.78Å; L150-Q152 VanDerWaalsContact C-N 3.29Å; L150-Q152 PolarHBondContact O-N 3.26Å
153	F	79.1	Confident	71.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-108.7	7.6	178.5	-70.5	-87.5	0	0	0	112.6	F114 V118 L122 V129 V131 L150 L151 D155 I156 L157	F114-F153 HydrophobicContact CZ-CE1 4.21Å; V118-F153 HydrophobicContact CG1-CD1 3.55Å; V118-F153 HydrophobicContact CG1-CE1 3.9Å; V118-F153 HydrophobicContact CG1-CG 4.19Å; V118-F153 HydrophobicContact CG2-CE1 4.28Å; L122-F153 HydrophobicContact CD1-CB 4.23Å; L122-F153 HydrophobicContact CD1-CD2 4.22Å; L122-F153 HydrophobicContact CD1-CG 4.09Å; V129-F153 HydrophobicContact CB-CZ 4.27Å; V129-F153 HydrophobicContact CG1-CE1 4.08Å; V129-F153 HydrophobicContact CG1-CE2 4.48Å; V129-F153 HydrophobicContact CG1-CZ 3.69Å; V131-F153 HydrophobicContact CG2-CE1 3.84Å; V131-F153 HydrophobicContact CG2-CZ 3.64Å; L150-F153 CarbonylContact O-C 3.47Å; L150-F153 PolarHBondContact O-N 2.82Å; L151-F153 VanDerWaalsContact C-N 3.28Å; L151-F153 PolarHBondContact O-N 2.92Å; F153-D155 VanDerWaalsContact C-N 3.32Å; F153-D155 PolarHBondContact O-N 3.48Å; F153-I156 HydrophobicContact CD1-CD1 3.73Å; F153-I156 HydrophobicContact CE1-CD1 4.22Å; F153-I156 PolarHBondContact O-N 2.9Å; F153-L157 HydrophobicContact CB-CD1 3.69Å; F153-L157 HydrophobicContact CB-CG 3.96Å; F153-L157 WeakPolarHBondContact O-CB 3.12Å; F153-L157 WeakPolarHBondContact O-CG 3.28Å; F153-L157 PolarHBondContact O-N 2.94Å
154	E	73	Confident	69.9	Low	12 Å²	12	45.4 Å²	45.4	6%	0.056	22%	0.223	C	C	.	.	H	α-helix	trans	-55.2	-45.4	-176.1	-80.5	176.1	164.3	0	0	112.2	L150 I156 L157 F158 K415 R419	L150-E154 PolarHBondContact O-N 3.03Å; L150-E154 VanDerWaalsContact O-N 3.11Å; E154-I156 VanDerWaalsContact C-N 3.28Å; E154-I156 PolarHBondContact O-N 2.86Å; E154-L157 PolarHBondContact O-N 3.1Å; E154-F158 HydrophobicContact CB-CD2 4.13Å; E154-F158 HydrophobicContact CB-CE2 4.47Å; E154-F158 HydrophobicContact CG-CD2 4.23Å; E154-F158 HydrophobicContact CG-CE2 4.19Å; E154-F158 WeakPolarHBondContact O-CB 3.48Å; E154-F158 WeakPolarHBondContact O-CD2 3.28Å; E154-F158 PolarHBondContact O-N 3.22Å; E154-K415 IonicContact OE1-NZ 3.84Å; E154-K415 PolarHBondContact OE1-NZ 3.1Å; E154-R419 IonicContact OE1-NH2 2.67Å; E154-R419 IonicContact OE2-CZ 2.85Å; E154-R419 VanDerWaalsContact OE2-CZ 3.24Å; E154-R419 IonicContact OE2-NH1 3.1Å; E154-R419 PolarHBondContact OE2-NH1 3.02Å; E154-R419 IonicContact OE2-NH2 3.93Å; E154-R419 PolarHBondContact OE2-NH2 2.83Å
155	D	70.2	Confident	68.4	Low	87 Å²	87	43.2 Å²	43.2	47%	0.465	23%	0.225	S	C	.	.	H	α-helix	trans	-66.7	-29	179.4	-72.3	-46.9	0	0	0	112.9	F153 S159 K416	F153-D155 VanDerWaalsContact C-N 3.32Å; F153-D155 PolarHBondContact O-N 3.48Å; D155-S159 WeakPolarHBondContact O-CB 3.44Å; D155-K416 WeakPolarHBondContact OD1-CE 3.12Å; D155-K416 IonicContact OD1-NZ 3.77Å; D155-K416 PolarHBondContact OD1-NZ 3.31Å
156	I	72.6	Confident	67	Low	27 Å²	27	44.9 Å²	44.9	14%	0.138	24%	0.243	C	C	.	.	H	α-helix	trans	-79.7	-46.4	178.2	-73.9	160.8	0	0	0	111	F114 E115 V118 R119 F153 E154	F114-I156 HydrophobicContact CE1-CD1 3.78Å; F114-I156 HydrophobicContact CZ-CD1 4.37Å; E115-I156 HydrophobicContact CB-CG2 3.9Å; E115-I156 HydrophobicContact CG-CB 4.45Å; E115-I156 HydrophobicContact CG-CG1 4.37Å; E115-I156 HydrophobicContact CG-CG2 3.75Å; V118-I156 HydrophobicContact CB-CG2 4.46Å; V118-I156 HydrophobicContact CG1-CG2 4.3Å; R119-I156 PolarHBondContact NH2-O 2.91Å; F153-I156 HydrophobicContact CD1-CD1 3.73Å; F153-I156 HydrophobicContact CE1-CD1 4.22Å; F153-I156 PolarHBondContact O-N 2.9Å; E154-I156 VanDerWaalsContact C-N 3.28Å; E154-I156 PolarHBondContact O-N 2.86Å
157	L	68.1	Low	66.1	Low	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-73.9	-36.4	-173.9	-68.7	171	0	0	0	111.7	V118 R119 L122 L123 L150 F153 E154	V118-L157 HydrophobicContact CG1-CD2 4.15Å; R119-L157 HydrophobicContact CB-CD2 4Å; R119-L157 HydrophobicContact CG-CD2 4.34Å; R119-L157 PolarHBondContact NH2-O 3.38Å; L122-L157 HydrophobicContact CD1-CD1 3.98Å; L122-L157 HydrophobicContact CD1-CD2 4.39Å; L123-L157 HydrophobicContact CD1-CD2 4.44Å; L123-L157 HydrophobicContact CG-CD2 4.44Å; L150-L157 HydrophobicContact CB-CD1 3.94Å; L150-L157 HydrophobicContact CD1-CD1 4.14Å; L150-L157 HydrophobicContact CD2-CD1 3.86Å; L150-L157 HydrophobicContact CG-CD1 4.22Å; F153-L157 HydrophobicContact CB-CD1 3.69Å; F153-L157 HydrophobicContact CB-CG 3.96Å; F153-L157 WeakPolarHBondContact O-CB 3.12Å; F153-L157 WeakPolarHBondContact O-CG 3.28Å; F153-L157 PolarHBondContact O-N 2.94Å; E154-L157 PolarHBondContact O-N 3.1Å
158	F	64.8	Low	66.1	Low	38 Å²	38	45.3 Å²	45.3	17%	0.167	25%	0.245	C	C	.	.	S	Bend	trans	-120.8	16.9	-165	-45.3	-64.2	0	0	0	114	L150 E154 N160 L164	L150-F158 HydrophobicContact CD1-CZ 4Å; E154-F158 HydrophobicContact CB-CD2 4.13Å; E154-F158 HydrophobicContact CB-CE2 4.47Å; E154-F158 HydrophobicContact CG-CD2 4.23Å; E154-F158 HydrophobicContact CG-CE2 4.19Å; E154-F158 WeakPolarHBondContact O-CB 3.48Å; E154-F158 WeakPolarHBondContact O-CD2 3.28Å; E154-F158 PolarHBondContact O-N 3.22Å; F158-N160 CarbonylContact C-O 3.54Å; F158-N160 PolarHBondContact O-N 3.14Å; F158-L164 HydrophobicContact CD1-CB 4.39Å; F158-L164 HydrophobicContact CD1-CD1 4.49Å; F158-L164 HydrophobicContact CD2-CD1 3.87Å; F158-L164 HydrophobicContact CE1-CB 4.03Å; F158-L164 HydrophobicContact CE1-CD1 4.08Å; F158-L164 HydrophobicContact CE1-CG 3.88Å; F158-L164 HydrophobicContact CE2-CD1 3.42Å; F158-L164 VanDerWaalsContact CE2-CD1 3.42Å; F158-L164 HydrophobicContact CE2-CG 4.06Å; F158-L164 HydrophobicContact CG-CD1 4.41Å; F158-L164 HydrophobicContact CZ-CB 4.26Å; F158-L164 HydrophobicContact CZ-CD1 3.54Å; F158-L164 HydrophobicContact CZ-CG 3.61Å
159	S	56	Low	66.7	Low	72 Å²	72	45.3 Å²	45.3	50%	0.503	25%	0.245	S	C	.	.	S	Bend	trans	-59.2	-30.3	166.4	54.8	0	0	0	0	112.3	D155	D155-S159 WeakPolarHBondContact O-CB 3.44Å
160	N	45.2	Very low	67.3	Low	104 Å²	104	44.4 Å²	44.4	56%	0.556	24%	0.24	S	C	*	.	S	Bend	trans	-100.2	145.6	169.5	-70	-32.8	0	0	0	109.6	F158 E162	F158-N160 CarbonylContact C-O 3.54Å; F158-N160 PolarHBondContact O-N 3.14Å; N160-E162 PolarHBondContact O-N 2.94Å
161	K	48.7	Very low	68	Low	212 Å²	212	44.4 Å²	44.4	92%	0.922	24%	0.24	S	C	*	.			trans	-59.2	27.7	-168.9	-61.3	170.2	175.2	175.4	0	116.9
162	E	50.1	Low	68.9	Low	66 Å²	66	43.7 Å²	43.7	31%	0.308	24%	0.237	S	C	.	.			trans	-73.5	129.1	176	-74.7	175.8	179.6	0	0	110.2	R119 N160 L164 H338	R119-E162 WeakPolarHBondContact CD-OE2 3.46Å; R119-E162 IonicContact CZ-OE2 3.46Å; R119-E162 IonicContact NE-OE1 2.6Å; R119-E162 IonicContact NE-OE2 3.61Å; R119-E162 PolarHBondContact NE-OE2 2.83Å; N160-E162 PolarHBondContact O-N 2.94Å; E162-L164 PolarHBondContact O-N 2.76Å; E162-H338 IonicContact OE1-NE2 2.66Å
163	V	53.1	Low	69.7	Low	46 Å²	46	40.8 Å²	40.8	28%	0.279	22%	0.224	S	C	.	.			trans	-70.5	120.2	178.5	178.6	0	0	0	0	108.2	V165 H362 R363	V163-V165 PolarHBondContact O-N 3.5Å; V163-V165 VanDerWaalsContact O-N 3.11Å; V163-H362 HydrophobicContact CB-CB 4.16Å; V163-H362 HydrophobicContact CG1-CB 3.41Å; V163-H362 VanDerWaalsContact CG1-CB 3.41Å; V163-H362 HydrophobicContact CG2-CB 3.77Å; V163-H362 VanDerWaalsContact CG2-CD2 3.43Å; V163-H362 WeakPolarHBondContact CG2-CD2 3.35Å; V163-R363 HydrophobicContact CG1-CG 4.08Å
164	L	51.6	Low	70.4	Confident	5 Å²	5	41.7 Å²	41.7	3%	0.026	23%	0.23	C	C	.	.			trans	-64.4	109.2	172.3	-163	160.1	0	0	0	109	F158 E162 N167 N192 R363 M412	F158-L164 HydrophobicContact CD1-CB 4.39Å; F158-L164 HydrophobicContact CD1-CD1 4.49Å; F158-L164 HydrophobicContact CD2-CD1 3.87Å; F158-L164 HydrophobicContact CE1-CB 4.03Å; F158-L164 HydrophobicContact CE1-CD1 4.08Å; F158-L164 HydrophobicContact CE1-CG 3.88Å; F158-L164 HydrophobicContact CE2-CD1 3.42Å; F158-L164 VanDerWaalsContact CE2-CD1 3.42Å; F158-L164 HydrophobicContact CE2-CG 4.06Å; F158-L164 HydrophobicContact CG-CD1 4.41Å; F158-L164 HydrophobicContact CZ-CB 4.26Å; F158-L164 HydrophobicContact CZ-CD1 3.54Å; F158-L164 HydrophobicContact CZ-CG 3.61Å; E162-L164 PolarHBondContact O-N 2.76Å; L164-N167 HydrophobicContact CD2-CB 4.3Å; L164-N167 WeakPolarHBondContact CD2-OD1 3.38Å; L164-N192 WeakPolarHBondContact CD2-ND2 3.48Å; L164-R363 WeakPolarHBondContact O-CD 3.29Å; L164-R363 WeakPolarHBondContact O-CG 3.34Å; L164-M412 HydrophobicContact CD1-CE 4.46Å
165	V	55.4	Low	71.2	Confident	97 Å²	97	47 Å²	47	59%	0.588	25%	0.252	S	S	*	.			trans	-70.1	126.4	169.4	-179.1	0	0	0	0	107.2	V163 N167	V163-V165 PolarHBondContact O-N 3.5Å; V163-V165 VanDerWaalsContact O-N 3.11Å; V165-N167 PolarHBondContact O-N 2.91Å; V165-N167 PolarHBondContact O-OD1 3.38Å
166	G	58.3	Low	72	Confident	40 Å²	40	46.7 Å²	46.7	41%	0.412	25%	0.25	S	S	.	.			trans	-37.1	128.9	-165.8	0	0	0	0	0	116.4	S168	G166-S168 PolarHBondContact O-N 2.94Å
167	N	67.1	Low	72.2	Confident	9 Å²	9	48.8 Å²	48.8	5%	0.048	26%	0.262	C	S	.	.			trans	-95	72.6	177.9	-67.9	-9.2	0	0	0	110.3	L150 L164 V165	L150-N167 WeakPolarHBondContact CB-ND2 3.3Å; L150-N167 WeakPolarHBondContact CD1-ND2 3.3Å; L150-N167 VanDerWaalsContact CD1-OD1 3.3Å; L150-N167 WeakPolarHBondContact CD1-OD1 3.48Å; L164-N167 HydrophobicContact CD2-CB 4.3Å; L164-N167 WeakPolarHBondContact CD2-OD1 3.38Å; V165-N167 PolarHBondContact O-N 2.91Å; V165-N167 PolarHBondContact O-OD1 3.38Å
168	S	80.3	Confident	71.9	Confident	7 Å²	7	52.9 Å²	52.9	5%	0.049	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.9	168	57.7	0	0	0	0	109.8	G166 L217 P219 K220	G166-S168 PolarHBondContact O-N 2.94Å; S168-L217 PolarHBondContact OG-O 3.34Å; S168-P219 WeakPolarHBondContact O-CA 3.29Å; S168-P219 WeakPolarHBondContact O-CB 3.46Å; S168-P219 WeakPolarHBondContact OG-CA 3.28Å; S168-K220 PolarHBondContact O-N 3.23Å
169	I	91.4	Very high	71.8	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	139.2	165.3	-169.8	167.6	0	0	0	107.9	S188 V189 E221 L223 Y295 L296	I169-S188 WeakPolarHBondContact O-CA 3.27Å; I169-V189 HydrophobicContact CG2-CB 3.88Å; I169-V189 PolarHBondContact N-O 3.06Å; I169-V189 PolarHBondContact O-N 3.25Å; I169-E221 HydrophobicContact CD1-CB 4.17Å; I169-E221 HydrophobicContact CD1-CG 4.02Å; I169-E221 HydrophobicContact CG1-CB 4.04Å; I169-E221 HydrophobicContact CG1-CG 4.31Å; I169-E221 WeakPolarHBondContact CG1-O 3.35Å; I169-L223 HydrophobicContact CD1-CD1 4.19Å; I169-L223 HydrophobicContact CD1-CD2 3.82Å; I169-L223 HydrophobicContact CD1-CG 3.92Å; I169-L223 HydrophobicContact CG1-CG 4.26Å; I169-Y295 HydrophobicContact CD1-CD1 3.68Å; I169-Y295 HydrophobicContact CD1-CE1 3.54Å; I169-L296 HydrophobicContact CD1-CD2 4.29Å; I169-L296 HydrophobicContact CG2-CD1 3.78Å; I169-L296 HydrophobicContact CG2-CD2 4.25Å; I169-L296 HydrophobicContact CG2-CG 4.3Å
170	I	95	Very high	72.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	148.1	172.3	58.9	164.2	0	0	0	110.3	V186 A187 V214 L217 P219 E221 C222 L223 L238	I170-V186 HydrophobicContact CB-CG1 4.27Å; I170-V186 HydrophobicContact CG2-CG1 4.34Å; I170-A187 CarbonylContact C-O 3.52Å; I170-A187 VanDerWaalsContact CA-O 3.29Å; I170-A187 WeakPolarHBondContact CA-O 3.15Å; I170-V214 HydrophobicContact CD1-CG2 4.1Å; I170-L217 HydrophobicContact CG2-CD1 3.86Å; I170-P219 HydrophobicContact CB-CB 4.45Å; I170-P219 HydrophobicContact CD1-CB 4.48Å; I170-P219 HydrophobicContact CD1-CG 3.76Å; I170-P219 HydrophobicContact CG1-CB 3.94Å; I170-P219 HydrophobicContact CG1-CG 3.78Å; I170-P219 HydrophobicContact CG2-CB 3.91Å; I170-P219 HydrophobicContact CG2-CG 4.04Å; I170-E221 PolarHBondContact N-O 3.14Å; I170-C222 HydrophobicContact CD1-CB 3.99Å; I170-C222 HydrophobicContact CG1-CB 3.7Å; I170-C222 CarbonylContact O-C 3.57Å; I170-C222 VanDerWaalsContact O-CA 3.27Å; I170-C222 WeakPolarHBondContact O-CA 3.15Å; I170-L223 PolarHBondContact O-N 3.33Å; I170-L238 HydrophobicContact CD1-CD2 4.39Å
171	S	95.3	Very high	74.2	Confident	2 Å²	2	54 Å²	54	1%	0.014	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	141.5	162.8	-175.7	0	0	0	0	108.6	V186 A187 A288	S171-V186 WeakPolarHBondContact O-CA 2.99Å; S171-A187 PolarHBondContact N-O 2.93Å; S171-A187 PolarHBondContact O-N 3.26Å; S171-A288 VanDerWaalsContact CB-O 3.25Å; S171-A288 WeakPolarHBondContact CB-O 3.49Å; S171-A288 WeakPolarHBondContact O-CB 3.39Å; S171-A288 PolarHBondContact OG-O 3.13Å; S171-A288 VanDerWaalsContact OG-O 3.11Å
172	L	94.4	Very high	76.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	136.9	-171.4	-177	153.9	0	0	0	111.7	V174 V184 G185 V186 L210 L223 L224 P225 Y231 V234	L172-V174 HydrophobicContact CD2-CG2 3.52Å; L172-V184 HydrophobicContact CD1-CG1 3.84Å; L172-V184 HydrophobicContact CD2-CG1 4.23Å; L172-V184 HydrophobicContact CG-CG1 3.87Å; L172-G185 WeakPolarHBondContact CA-O 3.33Å; L172-V186 HydrophobicContact CD1-CG2 3.99Å; L172-V186 HydrophobicContact CG-CG2 4.23Å; L172-L210 HydrophobicContact CD1-CD1 3.25Å; L172-L210 HydrophobicContact CD1-CD2 3.5Å; L172-L210 VanDerWaalsContact CD1-CD2 3.5Å; L172-L210 HydrophobicContact CD1-CG 4.01Å; L172-L223 PolarHBondContact N-O 3.18Å; L172-L223 VanDerWaalsContact N-O 3.12Å; L172-L224 HydrophobicContact CB-CD2 3.9Å; L172-L224 HydrophobicContact CD2-CD2 3.95Å; L172-L224 HydrophobicContact CG-CD2 4.46Å; L172-P225 WeakPolarHBondContact O-CD 3.42Å; L172-Y231 HydrophobicContact CD2-CE1 4.04Å; L172-V234 HydrophobicContact CD1-CG1 4.37Å; L172-V234 HydrophobicContact CD2-CG1 4.22Å
173	L	93.8	Very high	78.1	Confident	32 Å²	32	47 Å²	47	17%	0.168	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.9	170.9	-64.1	178	0	0	0	110.2	G185 P225 N287 A288	L173-G185 PolarHBondContact N-O 3.4Å; L173-G185 PolarHBondContact O-N 2.76Å; L173-P225 HydrophobicContact CD2-CB 4.3Å; L173-P225 HydrophobicContact CD2-CG 3.75Å; L173-N287 HydrophobicContact CD1-CB 3.53Å; L173-A288 HydrophobicContact CD1-CB 4.31Å; L173-A288 HydrophobicContact CG-CB 4.12Å
174	V	93.2	Very high	80.1	Confident	20 Å²	20	44.9 Å²	44.9	12%	0.121	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.4	174.6	-174.5	0	0	0	0	109.4	L172 R182 R183 V184 F207 Y231 V234	L172-V174 HydrophobicContact CD2-CG2 3.52Å; V174-R182 HydrophobicContact CG1-CB 4.25Å; V174-R182 HydrophobicContact CG1-CG 4.46Å; V174-R183 WeakPolarHBondContact CA-O 3.38Å; V174-V184 HydrophobicContact CG2-CG2 4.48Å; V174-F207 HydrophobicContact CG1-CE1 4.26Å; V174-F207 HydrophobicContact CG1-CZ 4.29Å; V174-F207 HydrophobicContact CG2-CE1 4.16Å; V174-F207 HydrophobicContact CG2-CZ 4.39Å; V174-Y231 HydrophobicContact CB-CE1 4.22Å; V174-Y231 HydrophobicContact CG2-CD1 4.36Å; V174-Y231 HydrophobicContact CG2-CE1 3.86Å; V174-Y231 PolarHBondContact N-OH 3.43Å; V174-Y231 PolarHBondContact O-OH 2.8Å; V174-V234 HydrophobicContact CG2-CG2 4.17Å
175	K	91.3	Very high	82.2	Confident	123 Å²	123	44.6 Å²	44.6	54%	0.535	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.5	172.5	-176.3	-178.9	176.2	-172.4	0	109.9	R183 L284	K175-R183 PolarHBondContact N-O 2.86Å; K175-R183 PolarHBondContact O-N 2.9Å; K175-L284 HydrophobicContact CB-CD1 3.9Å; K175-L284 HydrophobicContact CB-CD2 3.94Å; K175-L284 HydrophobicContact CD-CD2 4.21Å
176	L	86.1	Confident	84.1	Confident	81 Å²	81	40 Å²	40	42%	0.424	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	124.1	167.6	-79.5	153.9	0	0	0	109.3	R182 E230	L176-R182 HydrophobicContact CD2-CG 3.89Å; L176-R182 HydrophobicContact CG-CG 4.47Å; L176-E230 HydrophobicContact CD1-CG 4.07Å; L176-E230 WeakPolarHBondContact CD1-OE1 3.31Å
177	D	77.4	Confident	86	Confident	71 Å²	71	38.1 Å²	38.1	38%	0.38	24%	0.235	S	C	.	.			trans	-81.4	162.5	172.5	-144.2	-17.9	0	0	0	110.6	G179 G180 Q181 R183	D177-G179 PolarHBondContact O-N 3.49Å; D177-G180 PolarHBondContact O-N 3.47Å; D177-Q181 PolarHBondContact N-O 3.08Å; D177-R183 IonicContact OD2-NE 3.01Å; D177-R183 IonicContact OD2-NH2 3.83Å; D177-R183 PolarHBondContact OD2-NH2 3.48Å
178	G	61.4	Low	87.3	Confident	85 Å²	85	37.7 Å²	37.7	88%	0.876	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-14.9	-174	0	0	0	0	0	115.4
179	G	63.6	Low	87.9	Confident	75 Å²	75	37.3 Å²	37.3	77%	0.773	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	8.7	175	0	0	0	0	0	115.3	D177 Q181	D177-G179 PolarHBondContact O-N 3.49Å; G179-Q181 VanDerWaalsContact C-N 3.28Å; G179-Q181 PolarHBondContact O-N 2.99Å
180	G	70.9	Confident	87.7	Confident	51 Å²	51	38.4 Å²	38.4	53%	0.526	24%	0.236	S	C	.	.	S	Bend	trans	81.1	-1.8	-179.1	0	0	0	0	0	115.2	D177	D177-G180 PolarHBondContact O-N 3.47Å
181	Q	79.4	Confident	86.9	Confident	113 Å²	113	38.5 Å²	38.5	53%	0.528	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-76.3	140.4	172.3	-69.9	-179.6	-20	0	0	110.8	D177 G179 L202	D177-Q181 PolarHBondContact N-O 3.08Å; G179-Q181 VanDerWaalsContact C-N 3.28Å; G179-Q181 PolarHBondContact O-N 2.99Å; Q181-L202 HydrophobicContact CB-CD2 4.49Å
182	R	89	Confident	86	Confident	39 Å²	39	38.8 Å²	38.8	15%	0.147	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.5	176.2	-65.5	-170.6	-171.5	77.5	3.2	109.5	V174 L176 L202 D203 D204 D205 F207 E230	V174-R182 HydrophobicContact CG1-CB 4.25Å; V174-R182 HydrophobicContact CG1-CG 4.46Å; L176-R182 HydrophobicContact CD2-CG 3.89Å; L176-R182 HydrophobicContact CG-CG 4.47Å; R182-L202 WeakPolarHBondContact O-CA 3.39Å; R182-D203 PolarHBondContact O-N 3.14Å; R182-D204 PolarHBondContact NH1-O 3.07Å; R182-D205 IonicContact CZ-OD1 3.74Å; R182-D205 VanDerWaalsContact NH1-CA 3.27Å; R182-D205 IonicContact NH1-OD1 3.55Å; R182-D205 PolarHBondContact NH1-OD1 3.27Å; R182-D205 IonicContact NH2-OD1 2.79Å; R182-D205 PolarHBondContact NH2-OD1 3.36Å; R182-D205 VanDerWaalsContact NH2-OD1 3.14Å; R182-F207 VanDerWaalsContact CD-CZ 3.45Å; R182-E230 IonicContact CZ-OE2 3.39Å; R182-E230 IonicContact NE-OE2 3.25Å; R182-E230 PolarHBondContact NE-OE2 3.3Å; R182-E230 IonicContact NH2-OE2 2.72Å
183	R	92.9	Very high	85.1	Confident	92 Å²	92	40.9 Å²	40.9	35%	0.347	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.7	168.9	-168.8	-178.7	-68.3	-121.5	-1.6	108.9	V174 K175 D177 L202 L284	V174-R183 WeakPolarHBondContact CA-O 3.38Å; K175-R183 PolarHBondContact N-O 2.86Å; K175-R183 PolarHBondContact O-N 2.9Å; D177-R183 IonicContact OD2-NE 3.01Å; D177-R183 IonicContact OD2-NH2 3.83Å; D177-R183 PolarHBondContact OD2-NH2 3.48Å; R183-L202 HydrophobicContact CB-CD2 4.08Å; R183-L202 HydrophobicContact CG-CD2 4.3Å; R183-L284 HydrophobicContact CB-CD1 4Å; R183-L284 HydrophobicContact CG-CD1 3.68Å
184	V	94.4	Very high	84.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.8	179.8	-173.2	0	0	0	0	108.5	L172 V174 V186 E200 F201 D203 F207 L210	L172-V184 HydrophobicContact CD1-CG1 3.84Å; L172-V184 HydrophobicContact CD2-CG1 4.23Å; L172-V184 HydrophobicContact CG-CG1 3.87Å; V174-V184 HydrophobicContact CG2-CG2 4.48Å; V184-V186 HydrophobicContact CG1-CG2 3.81Å; V184-E200 VanDerWaalsContact O-CA 3.29Å; V184-E200 WeakPolarHBondContact O-CA 3.39Å; V184-F201 HydrophobicContact CB-CD2 4.49Å; V184-F201 HydrophobicContact CB-CE2 4.01Å; V184-F201 HydrophobicContact CB-CZ 4.03Å; V184-F201 HydrophobicContact CG1-CE2 4.48Å; V184-F201 HydrophobicContact CG1-CZ 4.07Å; V184-F201 HydrophobicContact CG2-CE2 4.37Å; V184-F201 PolarHBondContact N-O 2.86Å; V184-F201 PolarHBondContact O-N 2.82Å; V184-F201 VanDerWaalsContact O-N 3.13Å; V184-D203 HydrophobicContact CG2-CB 3.89Å; V184-F207 HydrophobicContact CG2-CD1 4Å; V184-F207 HydrophobicContact CG2-CE1 3.83Å; V184-L210 HydrophobicContact CG1-CD1 4.44Å
185	G	95.8	Very high	84.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125	170	0	0	0	0	0	110.2	L172 L173	L172-G185 WeakPolarHBondContact CA-O 3.33Å; L173-G185 PolarHBondContact N-O 3.4Å; L173-G185 PolarHBondContact O-N 2.76Å
186	V	96.1	Very high	84.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	135.1	-177.4	-176.5	0	0	0	0	109.3	I170 S171 L172 V184 L199 F201 L210	I170-V186 HydrophobicContact CB-CG1 4.27Å; I170-V186 HydrophobicContact CG2-CG1 4.34Å; S171-V186 WeakPolarHBondContact O-CA 2.99Å; L172-V186 HydrophobicContact CD1-CG2 3.99Å; L172-V186 HydrophobicContact CG-CG2 4.23Å; V184-V186 HydrophobicContact CG1-CG2 3.81Å; V186-L199 HydrophobicContact CB-CD2 3.56Å; V186-L199 HydrophobicContact CB-CG 3.86Å; V186-L199 HydrophobicContact CG1-CD2 3.83Å; V186-L199 HydrophobicContact CG2-CG 4.46Å; V186-L199 PolarHBondContact N-O 3.29Å; V186-L199 PolarHBondContact O-N 3.48Å; V186-F201 HydrophobicContact CG2-CE1 4.11Å; V186-F201 HydrophobicContact CG2-CZ 4.37Å; V186-L210 HydrophobicContact CG2-CD1 4.15Å
187	A	96.3	Very high	85	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.5	169.4	0	0	0	0	0	109.3	I170 S171 Q197 L198 A288 L289	I170-A187 CarbonylContact C-O 3.52Å; I170-A187 VanDerWaalsContact CA-O 3.29Å; I170-A187 WeakPolarHBondContact CA-O 3.15Å; S171-A187 PolarHBondContact N-O 2.93Å; S171-A187 PolarHBondContact O-N 3.26Å; A187-Q197 WeakPolarHBondContact CA-O 3.34Å; A187-L198 HydrophobicContact CB-CD2 3.59Å; A187-A288 HydrophobicContact CB-CB 3.99Å; A187-L289 VanDerWaalsContact CB-CA 3.49Å; A187-L289 HydrophobicContact CB-CB 3.66Å; A187-L289 HydrophobicContact CB-CD1 4.23Å; A187-L289 VanDerWaalsContact CB-N 3.32Å
188	S	94.9	Very high	85.8	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	132.4	172.3	-177.5	0	0	0	0	109.7	I169 F196 Q197	I169-S188 WeakPolarHBondContact O-CA 3.27Å; S188-F196 WeakPolarHBondContact O-CA 3.3Å; S188-Q197 PolarHBondContact N-O 3.42Å; S188-Q197 PolarHBondContact O-N 2.62Å
189	V	92.8	Very high	87.4	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	111.2	174.6	-176.3	0	0	0	0	108.9	I169 Q191 F196 L289 A292 L296 L298 Y308	I169-V189 HydrophobicContact CG2-CB 3.88Å; I169-V189 PolarHBondContact N-O 3.06Å; I169-V189 PolarHBondContact O-N 3.25Å; V189-Q191 HydrophobicContact CG1-CG 4.33Å; V189-F196 HydrophobicContact CB-CD1 4.32Å; V189-F196 HydrophobicContact CB-CE1 4.47Å; V189-F196 HydrophobicContact CG1-CD1 3.93Å; V189-F196 HydrophobicContact CG1-CE1 3.71Å; V189-F196 HydrophobicContact CG2-CD1 3.89Å; V189-F196 HydrophobicContact CG2-CE1 4.1Å; V189-L289 HydrophobicContact CG2-CD1 3.91Å; V189-A292 HydrophobicContact CG2-CB 3.68Å; V189-L296 HydrophobicContact CB-CD1 4.02Å; V189-L296 HydrophobicContact CG1-CD1 3.64Å; V189-L296 HydrophobicContact CG2-CD1 4.46Å; V189-L298 HydrophobicContact CG1-CD1 4.24Å; V189-Y308 HydrophobicContact CG1-CE1 4.34Å
190	E	87.2	Confident	88.9	Confident	23 Å²	23	24 Å²	24	11%	0.107	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	92.4	171.5	-69.6	174	-177.9	0	0	108.4	N192 D193 C194 K195 Q197	E190-N192 PolarHBondContact O-N 3.24Å; E190-D193 HydrophobicContact CB-CB 4.42Å; E190-D193 PolarHBondContact O-N 3.48Å; E190-C194 WeakPolarHBondContact O-CA 3.35Å; E190-C194 PolarHBondContact O-N 2.99Å; E190-K195 HydrophobicContact CB-CB 4.27Å; E190-K195 PolarHBondContact N-O 3.34Å; E190-K195 PolarHBondContact O-N 2.97Å; E190-K195 VanDerWaalsContact O-N 3.1Å; E190-Q197 PolarHBondContact OE1-NE2 3.04Å; E190-Q197 PolarHBondContact OE2-NE2 3.41Å
191	Q	79.3	Confident	89.9	Confident	2 Å²	2	23.1 Å²	23.1	1%	0.009	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.2	-178.7	-65.4	-178.7	-57	0	0	112.8	N149 L151 V189 L296 K415	N149-Q191 PolarHBondContact OD1-NE2 2.9Å; L151-Q191 HydrophobicContact CD1-CB 4.34Å; V189-Q191 HydrophobicContact CG1-CG 4.33Å; Q191-L296 HydrophobicContact CG-CD1 3.99Å; Q191-K415 WeakPolarHBondContact O-CE 3.35Å; Q191-K415 PolarHBondContact O-NZ 2.84Å
192	N	74.9	Confident	90.4	Very high	7 Å²	7	21.6 Å²	21.6	4%	0.037	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-45.6	-178.2	-75.4	-5.4	0	0	0	112.8	L164 E190 C194 L411 K415	L164-N192 WeakPolarHBondContact CD2-ND2 3.48Å; E190-N192 PolarHBondContact O-N 3.24Å; N192-C194 VanDerWaalsContact C-N 3.32Å; N192-L411 HydrophobicContact CB-CD2 3.93Å; N192-L411 WeakPolarHBondContact O-CD1 3.29Å; N192-K415 VanDerWaalsContact CA-CE 3.45Å; N192-K415 WeakPolarHBondContact O-CE 3.48Å; N192-K415 PolarHBondContact OD1-NZ 3.28Å
193	D	76.3	Confident	90.4	Very high	44 Å²	44	20.5 Å²	20.5	24%	0.235	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	0.3	-178.5	-62.2	-64.9	0	0	0	112.9	E190 K195	E190-D193 HydrophobicContact CB-CB 4.42Å; E190-D193 PolarHBondContact O-N 3.48Å; D193-K195 HydrophobicContact CB-CD 3.95Å; D193-K195 HydrophobicContact CB-CG 4.21Å
194	C	83.2	Confident	90	Very high	16 Å²	16	18 Å²	18	11%	0.108	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	54.2	-172.6	-61.6	0	0	0	0	111	E190 N192 H307 Y308 E309	E190-C194 WeakPolarHBondContact O-CA 3.35Å; E190-C194 PolarHBondContact O-N 2.99Å; N192-C194 VanDerWaalsContact C-N 3.32Å; C194-H307 WeakPolarHBondContact CB-O 3.29Å; C194-Y308 VanDerWaalsContact C-CD1 3.41Å; C194-Y308 HydrophobicContact CB-CD1 4.1Å; C194-Y308 HydrophobicContact CB-CD2 4.27Å; C194-Y308 HydrophobicContact CB-CE1 4.25Å; C194-Y308 HydrophobicContact CB-CE2 4.38Å; C194-Y308 HydrophobicContact CB-CG 4.11Å; C194-Y308 CarbonylContact O-C 3.6Å; C194-Y308 WeakPolarHBondContact O-CA 3.26Å; C194-E309 PolarHBondContact O-N 3.17Å
195	K	89.4	Confident	89.4	Confident	48 Å²	48	22.6 Å²	22.6	21%	0.209	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.5	-178.9	-71.1	171.5	-170.3	162.7	0	112.2	E190 D193 E309	E190-K195 HydrophobicContact CB-CB 4.27Å; E190-K195 PolarHBondContact N-O 3.34Å; E190-K195 PolarHBondContact O-N 2.97Å; E190-K195 VanDerWaalsContact O-N 3.1Å; D193-K195 HydrophobicContact CB-CD 3.95Å; D193-K195 HydrophobicContact CB-CG 4.21Å; K195-E309 CarbonylContact C-O 3.5Å; K195-E309 WeakPolarHBondContact CA-O 3.37Å
196	F	94.4	Very high	88.5	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.3	163.6	-56.6	-43.5	0	0	0	108.6	S188 V189 L260 L263 L264 L289 I293 L298 Y308 E309 I310 K311	S188-F196 WeakPolarHBondContact O-CA 3.3Å; V189-F196 HydrophobicContact CB-CD1 4.32Å; V189-F196 HydrophobicContact CB-CE1 4.47Å; V189-F196 HydrophobicContact CG1-CD1 3.93Å; V189-F196 HydrophobicContact CG1-CE1 3.71Å; V189-F196 HydrophobicContact CG2-CD1 3.89Å; V189-F196 HydrophobicContact CG2-CE1 4.1Å; F196-L260 HydrophobicContact CD2-CD2 4.19Å; F196-L260 HydrophobicContact CE2-CD2 4.07Å; F196-L263 HydrophobicContact CE2-CB 4.33Å; F196-L263 HydrophobicContact CE2-CD1 4.46Å; F196-L263 HydrophobicContact CZ-CD1 4.15Å; F196-L264 HydrophobicContact CD2-CD2 3.98Å; F196-L264 HydrophobicContact CE2-CD2 4.17Å; F196-L289 HydrophobicContact CB-CD1 4.17Å; F196-L289 HydrophobicContact CB-CD2 4.28Å; F196-L289 HydrophobicContact CD1-CD1 3.68Å; F196-L289 HydrophobicContact CD2-CD2 4.35Å; F196-L289 HydrophobicContact CE1-CD1 4.17Å; F196-L289 HydrophobicContact CG-CD1 3.89Å; F196-L289 HydrophobicContact CG-CD2 4.26Å; F196-I293 HydrophobicContact CE1-CG1 4.38Å; F196-I293 HydrophobicContact CZ-CD1 4.33Å; F196-I293 HydrophobicContact CZ-CG1 4.21Å; F196-L298 HydrophobicContact CE1-CD1 3.78Å; F196-L298 HydrophobicContact CZ-CD1 3.88Å; F196-Y308 AromaticContact CD1-CD1 3.87Å; F196-Y308 HydrophobicContact CD1-CD1 3.87Å; F196-Y308 HydrophobicContact CD1-CE1 4.34Å; F196-Y308 HydrophobicContact CD2-CD1 4.24Å; F196-Y308 HydrophobicContact CD2-CG 4.45Å; F196-Y308 AromaticContact CE1-CD1 3.33Å; F196-Y308 HydrophobicContact CE1-CD1 3.33Å; F196-Y308 AromaticContact CE1-CE1 3.6Å; F196-Y308 HydrophobicContact CE1-CE1 3.6Å; F196-Y308 HydrophobicContact CE1-CG 4.12Å; F196-Y308 AromaticContact CE2-CD1 3.74Å; F196-Y308 HydrophobicContact CE2-CD1 3.74Å; F196-Y308 AromaticContact CE2-CG 3.73Å; F196-Y308 HydrophobicContact CE2-CG 3.73Å; F196-Y308 HydrophobicContact CG-CD1 4.3Å; F196-Y308 AromaticContact CZ-CD1 3.25Å; F196-Y308 HydrophobicContact CZ-CD1 3.25Å; F196-Y308 HydrophobicContact CZ-CD2 4.28Å; F196-Y308 AromaticContact CZ-CE1 3.79Å; F196-Y308 HydrophobicContact CZ-CE1 3.79Å; F196-Y308 AromaticContact CZ-CG 3.54Å; F196-Y308 HydrophobicContact CZ-CG 3.54Å; F196-E309 PolarHBondContact N-O 2.87Å; F196-I310 HydrophobicContact CB-CB 4.23Å; F196-I310 HydrophobicContact CB-CG1 4.06Å; F196-I310 CarbonylContact O-C 3.48Å; F196-I310 WeakPolarHBondContact O-CA 3.32Å; F196-K311 PolarHBondContact O-N 3.25Å
197	Q	94.6	Very high	88	Confident	23 Å²	23	26.5 Å²	26.5	11%	0.107	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.2	174.3	-64.5	171.6	3.7	0	0	108.9	A187 S188 E190 K311 L313	A187-Q197 WeakPolarHBondContact CA-O 3.34Å; S188-Q197 PolarHBondContact N-O 3.42Å; S188-Q197 PolarHBondContact O-N 2.62Å; E190-Q197 PolarHBondContact OE1-NE2 3.04Å; E190-Q197 PolarHBondContact OE2-NE2 3.41Å; Q197-K311 CarbonylContact C-O 3.6Å; Q197-K311 VanDerWaalsContact CA-O 3.29Å; Q197-K311 WeakPolarHBondContact CA-O 3.33Å; Q197-L313 HydrophobicContact CB-CB 4.42Å
198	L	95.9	Very high	87.2	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	140.2	179.8	-60.7	-169.5	0	0	0	110.9	A187 E279 L282 A285 L289 I310 K311 Q312 L313	A187-L198 HydrophobicContact CB-CD2 3.59Å; L198-E279 HydrophobicContact CD1-CB 4.24Å; L198-L282 HydrophobicContact CB-CD1 4.02Å; L198-A285 HydrophobicContact CB-CB 4.08Å; L198-A285 HydrophobicContact CD2-CB 4.24Å; L198-L289 HydrophobicContact CD1-CD2 4.46Å; L198-L289 HydrophobicContact CD2-CB 3.93Å; L198-L289 HydrophobicContact CD2-CD2 4.05Å; L198-L289 HydrophobicContact CD2-CG 4.4Å; L198-I310 HydrophobicContact CD1-CD1 3.91Å; L198-I310 HydrophobicContact CD1-CG1 4.47Å; L198-I310 HydrophobicContact CG-CD1 4.38Å; L198-I310 HydrophobicContact CG-CG1 4.49Å; L198-K311 PolarHBondContact N-O 3.02Å; L198-Q312 WeakPolarHBondContact O-CA 3.47Å; L198-L313 PolarHBondContact O-N 3.11Å
199	L	94.8	Very high	86.8	Confident	5 Å²	5	30.5 Å²	30.5	3%	0.026	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	145.4	169.1	66.4	157.8	0	0	0	112.1	V186 F201 T213 A285 L313 L315	V186-L199 HydrophobicContact CB-CD2 3.56Å; V186-L199 HydrophobicContact CB-CG 3.86Å; V186-L199 HydrophobicContact CG1-CD2 3.83Å; V186-L199 HydrophobicContact CG2-CG 4.46Å; V186-L199 PolarHBondContact N-O 3.29Å; V186-L199 PolarHBondContact O-N 3.48Å; L199-F201 HydrophobicContact CD1-CD1 3.66Å; L199-F201 HydrophobicContact CD1-CE1 3.35Å; L199-F201 HydrophobicContact CD1-CZ 4.48Å; L199-F201 HydrophobicContact CG-CD1 4.19Å; L199-F201 HydrophobicContact CG-CE1 3.94Å; L199-T213 HydrophobicContact CD1-CG2 3.71Å; L199-T213 HydrophobicContact CD2-CG2 4.24Å; L199-A285 WeakPolarHBondContact O-CB 3.45Å; L199-L313 HydrophobicContact CB-CB 4.44Å; L199-L313 HydrophobicContact CD2-CD2 4.19Å; L199-L315 HydrophobicContact CD1-CD1 4.15Å; L199-L315 HydrophobicContact CD1-CD2 4.36Å; L199-L315 HydrophobicContact CD1-CG 4.37Å
200	E	94.1	Very high	86.7	Confident	42 Å²	42	30.5 Å²	30.5	20%	0.196	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	138.3	166.2	-67.5	-177.9	179.3	0	0	110.2	V184 L282 Q283 L284 A285	V184-E200 VanDerWaalsContact O-CA 3.29Å; V184-E200 WeakPolarHBondContact O-CA 3.39Å; E200-L282 HydrophobicContact CB-CD2 4.09Å; E200-L282 HydrophobicContact CG-CB 3.89Å; E200-L282 HydrophobicContact CG-CD2 4.14Å; E200-L282 HydrophobicContact CG-CG 4.46Å; E200-L282 WeakPolarHBondContact OE1-CA 3.3Å; E200-Q283 PolarHBondContact OE1-N 2.94Å; E200-L284 HydrophobicContact CG-CB 4.41Å; E200-L284 VanDerWaalsContact OE1-CA 3.28Å; E200-L284 WeakPolarHBondContact OE1-CA 3.45Å; E200-L284 VanDerWaalsContact OE1-CB 3.31Å; E200-L284 WeakPolarHBondContact OE1-CB 3.47Å; E200-L284 PolarHBondContact OE1-N 2.92Å; E200-A285 HydrophobicContact CG-CB 3.81Å; E200-A285 PolarHBondContact OE1-N 3.22Å
201	F	92.2	Very high	86.7	Confident	31 Å²	31	30.5 Å²	30.5	14%	0.136	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	162.7	178.8	51.9	-84.2	0	0	0	110.2	V184 V186 L199 D203 E209 L210	V184-F201 HydrophobicContact CB-CD2 4.49Å; V184-F201 HydrophobicContact CB-CE2 4.01Å; V184-F201 HydrophobicContact CB-CZ 4.03Å; V184-F201 HydrophobicContact CG1-CE2 4.48Å; V184-F201 HydrophobicContact CG1-CZ 4.07Å; V184-F201 HydrophobicContact CG2-CE2 4.37Å; V184-F201 PolarHBondContact N-O 2.86Å; V184-F201 PolarHBondContact O-N 2.82Å; V184-F201 VanDerWaalsContact O-N 3.13Å; V186-F201 HydrophobicContact CG2-CE1 4.11Å; V186-F201 HydrophobicContact CG2-CZ 4.37Å; L199-F201 HydrophobicContact CD1-CD1 3.66Å; L199-F201 HydrophobicContact CD1-CE1 3.35Å; L199-F201 HydrophobicContact CD1-CZ 4.48Å; L199-F201 HydrophobicContact CG-CD1 4.19Å; L199-F201 HydrophobicContact CG-CE1 3.94Å; F201-D203 HydrophobicContact CD2-CB 4.27Å; F201-D203 HydrophobicContact CE2-CB 4.2Å; F201-D203 WeakPolarHBondContact CE2-OD2 3.46Å; F201-E209 HydrophobicContact CD2-CB 3.52Å; F201-E209 HydrophobicContact CD2-CG 4.4Å; F201-E209 HydrophobicContact CE2-CB 3.49Å; F201-E209 VanDerWaalsContact CE2-CB 3.49Å; F201-E209 HydrophobicContact CG-CB 4.49Å; F201-E209 HydrophobicContact CZ-CB 4.45Å; F201-L210 HydrophobicContact CE2-CB 4.17Å; F201-L210 HydrophobicContact CZ-CB 4.07Å; F201-L210 HydrophobicContact CZ-CD1 4.43Å
202	L	90.9	Very high	87	Confident	82 Å²	82	30.8 Å²	30.8	43%	0.429	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	142.8	168.4	-64.8	173.5	0	0	0	108.2	Q181 R182 R183	Q181-L202 HydrophobicContact CB-CD2 4.49Å; R182-L202 WeakPolarHBondContact O-CA 3.39Å; R183-L202 HydrophobicContact CB-CD2 4.08Å; R183-L202 HydrophobicContact CG-CD2 4.3Å
203	D	88.8	Confident	87.8	Confident	16 Å²	16	30.4 Å²	30.4	9%	0.086	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	163.8	-178	-146.8	-17.8	0	0	0	110.8	R182 V184 F201 F207 T208 E209 L210	R182-D203 PolarHBondContact O-N 3.14Å; V184-D203 HydrophobicContact CG2-CB 3.89Å; F201-D203 HydrophobicContact CD2-CB 4.27Å; F201-D203 HydrophobicContact CE2-CB 4.2Å; F201-D203 WeakPolarHBondContact CE2-OD2 3.46Å; D203-F207 HydrophobicContact CB-CD1 4.26Å; D203-F207 VanDerWaalsContact CG-CA 3.48Å; D203-F207 WeakPolarHBondContact OD1-CA 3.5Å; D203-F207 VanDerWaalsContact OD2-CA 3.25Å; D203-F207 WeakPolarHBondContact OD2-CA 3.43Å; D203-T208 PolarHBondContact OD1-N 3.16Å; D203-E209 PolarHBondContact OD1-N 3.23Å; D203-L210 VanDerWaalsContact OD2-CB 3.3Å; D203-L210 WeakPolarHBondContact OD2-CB 3.17Å; D203-L210 PolarHBondContact OD2-N 3.13Å
204	D	83.4	Confident	88.5	Confident	38 Å²	38	28.5 Å²	28.5	20%	0.203	14%	0.143	C	C	.	.			trans	-90.4	-170.1	-178.4	68.1	18.1	0	0	0	112.7	R182 F206 F207 T208 R757	R182-D204 PolarHBondContact NH1-O 3.07Å; D204-F206 PolarHBondContact O-N 3.4Å; D204-F206 WeakPolarHBondContact OD1-CA 3.29Å; D204-F206 PolarHBondContact OD1-N 3.05Å; D204-F207 PolarHBondContact OD1-N 2.96Å; D204-T208 PolarHBondContact OD1-N 3.25Å; D204-T208 PolarHBondContact OD1-OG1 3.21Å; D204-T208 PolarHBondContact OD2-OG1 3.08Å; D204-R757 IonicContact OD2-NH1 3.6Å
205	D	81.3	Confident	88.8	Confident	97 Å²	97	28.5 Å²	28.5	52%	0.519	14%	0.142	S	C	.	.	S	Bend	trans	-68.4	-17.8	176	-67.4	-54.8	0	0	0	114.5	R182	R182-D205 IonicContact CZ-OD1 3.74Å; R182-D205 VanDerWaalsContact NH1-CA 3.27Å; R182-D205 IonicContact NH1-OD1 3.55Å; R182-D205 PolarHBondContact NH1-OD1 3.27Å; R182-D205 IonicContact NH2-OD1 2.79Å; R182-D205 PolarHBondContact NH2-OD1 3.36Å; R182-D205 VanDerWaalsContact NH2-OD1 3.14Å
206	F	77.5	Confident	88.8	Confident	81 Å²	81	26.8 Å²	26.8	36%	0.355	14%	0.135	S	C	.	.	S	Bend	trans	-106.6	-4.7	-175.7	-59.2	-71.6	0	0	0	113.2	D204 I750	D204-F206 PolarHBondContact O-N 3.4Å; D204-F206 WeakPolarHBondContact OD1-CA 3.29Å; D204-F206 PolarHBondContact OD1-N 3.05Å; F206-I750 HydrophobicContact CD1-CD1 4.47Å; F206-I750 HydrophobicContact CD1-CG1 4.33Å; F206-I750 HydrophobicContact CD1-CG2 3.78Å; F206-I750 HydrophobicContact CE1-CD1 4.15Å; F206-I750 HydrophobicContact CE1-CG1 3.92Å; F206-I750 HydrophobicContact CE1-CG2 4.2Å; F206-I750 HydrophobicContact CG-CG2 4.17Å
207	F	86	Confident	88.6	Confident	1 Å²	1	27.2 Å²	27.2	0%	0.004	14%	0.137	C	C	.	.			trans	61.7	44.7	178.9	-68.9	-78.8	0	0	0	113.1	V174 R182 V184 D203 D204 L210 E211 A233 V234 L237	V174-F207 HydrophobicContact CG1-CE1 4.26Å; V174-F207 HydrophobicContact CG1-CZ 4.29Å; V174-F207 HydrophobicContact CG2-CE1 4.16Å; V174-F207 HydrophobicContact CG2-CZ 4.39Å; R182-F207 VanDerWaalsContact CD-CZ 3.45Å; V184-F207 HydrophobicContact CG2-CD1 4Å; V184-F207 HydrophobicContact CG2-CE1 3.83Å; D203-F207 HydrophobicContact CB-CD1 4.26Å; D203-F207 VanDerWaalsContact CG-CA 3.48Å; D203-F207 WeakPolarHBondContact OD1-CA 3.5Å; D203-F207 VanDerWaalsContact OD2-CA 3.25Å; D203-F207 WeakPolarHBondContact OD2-CA 3.43Å; D204-F207 PolarHBondContact OD1-N 2.96Å; F207-L210 HydrophobicContact CB-CB 4.06Å; F207-L210 HydrophobicContact CB-CD2 4.11Å; F207-L210 HydrophobicContact CD1-CB 4.45Å; F207-L210 HydrophobicContact CD1-CD2 3.98Å; F207-L210 HydrophobicContact CG-CD2 4.24Å; F207-L210 PolarHBondContact O-N 3.18Å; F207-E211 PolarHBondContact O-N 3.03Å; F207-A233 HydrophobicContact CD2-CB 3.94Å; F207-A233 HydrophobicContact CE2-CB 3.8Å; F207-V234 HydrophobicContact CD1-CG2 4.18Å; F207-V234 HydrophobicContact CD2-CG2 4Å; F207-V234 HydrophobicContact CE1-CG2 3.86Å; F207-V234 HydrophobicContact CE2-CG2 3.67Å; F207-V234 HydrophobicContact CG-CG2 4.23Å; F207-V234 HydrophobicContact CZ-CG2 3.57Å; F207-L237 HydrophobicContact CB-CD1 3.53Å; F207-L237 VanDerWaalsContact O-CD1 3.3Å; F207-L237 WeakPolarHBondContact O-CD1 3.46Å
208	T	80.1	Confident	88.2	Confident	22 Å²	22	27.2 Å²	27.2	14%	0.135	14%	0.144	C	C	.	.	H	α-helix	trans	-61.2	-46.1	-174.9	-53	0	0	0	0	112.3	D203 D204 E211 A212	D203-T208 PolarHBondContact OD1-N 3.16Å; D204-T208 PolarHBondContact OD1-N 3.25Å; D204-T208 PolarHBondContact OD1-OG1 3.21Å; D204-T208 PolarHBondContact OD2-OG1 3.08Å; T208-E211 PolarHBondContact O-N 3.26Å; T208-A212 PolarHBondContact O-N 2.91Å; T208-A212 VanDerWaalsContact O-N 3.17Å
209	E	86.6	Confident	87.9	Confident	63 Å²	63	27.4 Å²	27.4	29%	0.294	15%	0.145	S	C	.	.	H	α-helix	trans	-70.2	-34.1	179.5	-75.7	-64.2	146.4	0	0	112.1	F201 D203 A212 T213 H320	F201-E209 HydrophobicContact CD2-CB 3.52Å; F201-E209 HydrophobicContact CD2-CG 4.4Å; F201-E209 HydrophobicContact CE2-CB 3.49Å; F201-E209 VanDerWaalsContact CE2-CB 3.49Å; F201-E209 HydrophobicContact CG-CB 4.49Å; F201-E209 HydrophobicContact CZ-CB 4.45Å; D203-E209 PolarHBondContact OD1-N 3.23Å; E209-A212 PolarHBondContact O-N 2.81Å; E209-T213 WeakPolarHBondContact O-CB 3.48Å; E209-T213 PolarHBondContact O-N 3.28Å; E209-T213 PolarHBondContact O-OG1 2.9Å; E209-H320 IonicContact OE1-CD2 3.39Å; E209-H320 IonicContact OE1-NE2 2.71Å
210	L	90.9	Very high	87.5	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65	-39.6	172.3	173.5	61	0	0	0	111.8	L172 V184 V186 F201 D203 F207 T213 V214 V234 L237	L172-L210 HydrophobicContact CD1-CD1 3.25Å; L172-L210 HydrophobicContact CD1-CD2 3.5Å; L172-L210 VanDerWaalsContact CD1-CD2 3.5Å; L172-L210 HydrophobicContact CD1-CG 4.01Å; V184-L210 HydrophobicContact CG1-CD1 4.44Å; V186-L210 HydrophobicContact CG2-CD1 4.15Å; F201-L210 HydrophobicContact CE2-CB 4.17Å; F201-L210 HydrophobicContact CZ-CB 4.07Å; F201-L210 HydrophobicContact CZ-CD1 4.43Å; D203-L210 VanDerWaalsContact OD2-CB 3.3Å; D203-L210 WeakPolarHBondContact OD2-CB 3.17Å; D203-L210 PolarHBondContact OD2-N 3.13Å; F207-L210 HydrophobicContact CB-CB 4.06Å; F207-L210 HydrophobicContact CB-CD2 4.11Å; F207-L210 HydrophobicContact CD1-CB 4.45Å; F207-L210 HydrophobicContact CD1-CD2 3.98Å; F207-L210 HydrophobicContact CG-CD2 4.24Å; F207-L210 PolarHBondContact O-N 3.18Å; L210-T213 WeakPolarHBondContact O-CB 3.4Å; L210-T213 PolarHBondContact O-N 3.16Å; L210-V214 HydrophobicContact CD1-CG2 4.12Å; L210-V214 HydrophobicContact CG-CG2 4.46Å; L210-V214 WeakPolarHBondContact O-CG2 3.27Å; L210-V214 PolarHBondContact O-N 3Å; L210-V234 HydrophobicContact CD2-CG1 4Å; L210-V234 HydrophobicContact CD2-CG2 4.22Å; L210-L237 HydrophobicContact CD2-CD1 4.37Å; L210-L237 HydrophobicContact CG-CD1 4.37Å; L210-L237 HydrophobicContact CG-CD2 4.46Å
211	E	86.9	Confident	87.3	Confident	22 Å²	22	29 Å²	29	10%	0.103	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-47.2	174.8	175	154.6	-116.9	0	0	111.4	F207 T208 T213 V214 V215 L237 R240 N241 S323	F207-E211 PolarHBondContact O-N 3.03Å; T208-E211 PolarHBondContact O-N 3.26Å; E211-T213 VanDerWaalsContact C-N 3.28Å; E211-T213 PolarHBondContact O-N 3.27Å; E211-V214 PolarHBondContact O-N 3.35Å; E211-V214 VanDerWaalsContact O-N 3.14Å; E211-V215 HydrophobicContact CG-CG2 4.46Å; E211-V215 WeakPolarHBondContact O-CG2 3.47Å; E211-V215 PolarHBondContact O-N 3.35Å; E211-L237 HydrophobicContact CB-CD1 3.9Å; E211-L237 HydrophobicContact CB-CD2 4.47Å; E211-L237 HydrophobicContact CB-CG 4.25Å; E211-R240 IonicContact OE1-CZ 3.24Å; E211-R240 IonicContact OE1-NE 2.74Å; E211-R240 PolarHBondContact OE1-NE 3.45Å; E211-R240 IonicContact OE1-NH2 2.84Å; E211-R240 PolarHBondContact OE1-NH2 2.92Å; E211-R240 IonicContact OE2-CZ 3.58Å; E211-R240 IonicContact OE2-NH2 2.78Å; E211-R240 PolarHBondContact OE2-NH2 3.47Å; E211-N241 PolarHBondContact OE1-ND2 3.32Å; E211-S323 WeakPolarHBondContact OE1-CB 3.42Å
212	A	85.5	Confident	87.4	Confident	8 Å²	8	27.5 Å²	27.5	7%	0.066	15%	0.145	C	C	.	.	H	α-helix	trans	-59.6	-40.5	176.2	0	0	0	0	0	111.8	T208 E209 V215 L216 H320	T208-A212 PolarHBondContact O-N 2.91Å; T208-A212 VanDerWaalsContact O-N 3.17Å; E209-A212 PolarHBondContact O-N 2.81Å; A212-V215 PolarHBondContact O-N 3.03Å; A212-L216 WeakPolarHBondContact O-CB 3.16Å; A212-L216 PolarHBondContact O-N 3.23Å; A212-H320 WeakPolarHBondContact CB-NE2 3.43Å
213	T	91.3	Very high	87.5	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.7	-45.8	173.8	-61.7	0	0	0	0	111.9	L199 E209 L210 E211 L216 L217	L199-T213 HydrophobicContact CD1-CG2 3.71Å; L199-T213 HydrophobicContact CD2-CG2 4.24Å; E209-T213 WeakPolarHBondContact O-CB 3.48Å; E209-T213 PolarHBondContact O-N 3.28Å; E209-T213 PolarHBondContact O-OG1 2.9Å; L210-T213 WeakPolarHBondContact O-CB 3.4Å; L210-T213 PolarHBondContact O-N 3.16Å; E211-T213 VanDerWaalsContact C-N 3.28Å; E211-T213 PolarHBondContact O-N 3.27Å; T213-L216 PolarHBondContact O-N 2.82Å; T213-L217 HydrophobicContact CG2-CD1 3.81Å; T213-L217 HydrophobicContact CG2-CG 4.43Å; T213-L217 WeakPolarHBondContact O-CB 3.33Å; T213-L217 WeakPolarHBondContact O-CG 3.49Å; T213-L217 PolarHBondContact O-N 3.39Å
214	V	91.3	Very high	87.7	Confident	3 Å²	3	23 Å²	23	2%	0.018	12%	0.121	C	C	.	.	H	α-helix	trans	-63.9	-42.5	178.7	168.5	0	0	0	0	110.7	I170 L210 E211 G218 P219 L237 L238 N241 V243	I170-V214 HydrophobicContact CD1-CG2 4.1Å; L210-V214 HydrophobicContact CD1-CG2 4.12Å; L210-V214 HydrophobicContact CG-CG2 4.46Å; L210-V214 WeakPolarHBondContact O-CG2 3.27Å; L210-V214 PolarHBondContact O-N 3Å; E211-V214 PolarHBondContact O-N 3.35Å; E211-V214 VanDerWaalsContact O-N 3.14Å; V214-G218 VanDerWaalsContact O-CA 3.24Å; V214-G218 WeakPolarHBondContact O-CA 3.44Å; V214-G218 PolarHBondContact O-N 3.4Å; V214-P219 HydrophobicContact CG1-CG 4.42Å; V214-P219 WeakPolarHBondContact O-CD 3.33Å; V214-L237 HydrophobicContact CG2-CD2 4.2Å; V214-L238 HydrophobicContact CG2-CD2 3.93Å; V214-N241 HydrophobicContact CG1-CB 3.9Å; V214-V243 HydrophobicContact CG1-CG2 3.76Å
215	V	88.8	Confident	88	Confident	16 Å²	16	24.5 Å²	24.5	10%	0.097	13%	0.133	C	C	.	.	H	α-helix	trans	-60.1	-50.2	174.5	160.5	0	0	0	0	111.1	E211 A212 G218 L321 V326	E211-V215 HydrophobicContact CG-CG2 4.46Å; E211-V215 WeakPolarHBondContact O-CG2 3.47Å; E211-V215 PolarHBondContact O-N 3.35Å; A212-V215 PolarHBondContact O-N 3.03Å; V215-G218 PolarHBondContact O-N 3.24Å; V215-L321 HydrophobicContact CG1-CB 4.26Å; V215-V326 HydrophobicContact CG1-CG2 3.38Å; V215-V326 HydrophobicContact CG2-CG2 4.34Å
216	L	89.8	Confident	88.4	Confident	13 Å²	13	21.9 Å²	21.9	7%	0.068	12%	0.122	C	C	.	.	H	α-helix	trans	-62.6	-46.1	-175.7	-176.9	148.5	0	0	0	112.1	A212 T213 L313 L315 F318 Q371	A212-L216 WeakPolarHBondContact O-CB 3.16Å; A212-L216 PolarHBondContact O-N 3.23Å; T213-L216 PolarHBondContact O-N 2.82Å; L216-L313 HydrophobicContact CD2-CD2 4.2Å; L216-L315 HydrophobicContact CD1-CD2 4.13Å; L216-F318 HydrophobicContact CD1-CB 3.97Å; L216-F318 HydrophobicContact CD1-CD2 3.68Å; L216-F318 HydrophobicContact CD1-CE2 4.43Å; L216-F318 HydrophobicContact CD1-CG 3.99Å; L216-Q371 HydrophobicContact CD1-CG 4.41Å; L216-Q371 HydrophobicContact CD2-CG 4.03Å; L216-Q371 HydrophobicContact CG-CG 3.79Å; L216-Q371 PolarHBondContact O-NE2 3.47Å
217	L	89.1	Confident	88.8	Confident	8 Å²	8	20.3 Å²	20.3	4%	0.042	12%	0.117	C	C	.	.	H	α-helix	trans	-76.8	-33.9	178.7	-66.6	176.6	0	0	0	111.5	S168 I170 T213 L313 K370	S168-L217 PolarHBondContact OG-O 3.34Å; I170-L217 HydrophobicContact CG2-CD1 3.86Å; T213-L217 HydrophobicContact CG2-CD1 3.81Å; T213-L217 HydrophobicContact CG2-CG 4.43Å; T213-L217 WeakPolarHBondContact O-CB 3.33Å; T213-L217 WeakPolarHBondContact O-CG 3.49Å; T213-L217 PolarHBondContact O-N 3.39Å; L217-L313 HydrophobicContact CD2-CD2 3.96Å; L217-L313 HydrophobicContact CG-CD2 4.41Å; L217-K370 PolarHBondContact O-NZ 3.28Å
218	G	87.5	Confident	88.8	Confident	23 Å²	23	27.5 Å²	27.5	24%	0.237	15%	0.151	C	C	.	.			trans	52.7	50.1	-173.8	0	0	0	0	0	114.1	V214 V215	V214-G218 VanDerWaalsContact O-CA 3.24Å; V214-G218 WeakPolarHBondContact O-CA 3.44Å; V214-G218 PolarHBondContact O-N 3.4Å; V215-G218 PolarHBondContact O-N 3.24Å
219	P	89.7	Confident	89	Confident	5 Å²	5	29.6 Å²	29.6	3%	0.032	18%	0.176	C	C	.	.			trans	-67.4	151	-178	32.1	-34.4	0	0	0	111.3	S168 I170 V214 V243	S168-P219 WeakPolarHBondContact O-CA 3.29Å; S168-P219 WeakPolarHBondContact O-CB 3.46Å; S168-P219 WeakPolarHBondContact OG-CA 3.28Å; I170-P219 HydrophobicContact CB-CB 4.45Å; I170-P219 HydrophobicContact CD1-CB 4.48Å; I170-P219 HydrophobicContact CD1-CG 3.76Å; I170-P219 HydrophobicContact CG1-CB 3.94Å; I170-P219 HydrophobicContact CG1-CG 3.78Å; I170-P219 HydrophobicContact CG2-CB 3.91Å; I170-P219 HydrophobicContact CG2-CG 4.04Å; V214-P219 HydrophobicContact CG1-CG 4.42Å; V214-P219 WeakPolarHBondContact O-CD 3.33Å; P219-V243 HydrophobicContact CG-CG1 4.26Å; P219-V243 HydrophobicContact CG-CG2 4.32Å
220	K	85.1	Confident	88.8	Confident	80 Å²	80	30.2 Å²	30.2	35%	0.348	18%	0.179	S	C	.	.	S	Bend	trans	-93.1	-16.3	174.8	-63.6	-56.6	-175.7	-177	0	113.2	P147 S168 M244	P147-K220 HydrophobicContact CB-CB 4.01Å; P147-K220 WeakPolarHBondContact O-CB 3.36Å; S168-K220 PolarHBondContact O-N 3.23Å; K220-M244 WeakPolarHBondContact O-CB 3.49Å; K220-M244 PolarHBondContact O-N 2.88Å; K220-M244 VanDerWaalsContact O-N 3.11Å
221	E	90.2	Very high	88.7	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	143.3	-178.5	-170.8	173.5	-179.4	0	0	110.7	S146 G148 I169 I170 M244 T246 Y295	S146-E221 VanDerWaalsContact CB-OE2 3.22Å; S146-E221 WeakPolarHBondContact CB-OE2 3.43Å; S146-E221 PolarHBondContact OG-OE2 2.68Å; G148-E221 WeakPolarHBondContact CA-OE2 3.46Å; G148-E221 PolarHBondContact N-OE2 3.17Å; I169-E221 HydrophobicContact CD1-CB 4.17Å; I169-E221 HydrophobicContact CD1-CG 4.02Å; I169-E221 HydrophobicContact CG1-CB 4.04Å; I169-E221 HydrophobicContact CG1-CG 4.31Å; I169-E221 WeakPolarHBondContact CG1-O 3.35Å; I170-E221 PolarHBondContact N-O 3.14Å; E221-M244 CarbonylContact C-O 3.52Å; E221-M244 VanDerWaalsContact CA-O 3.29Å; E221-M244 WeakPolarHBondContact CA-O 3.33Å; E221-M244 HydrophobicContact CG-CB 4.42Å; E221-M244 HydrophobicContact CG-CG 4.49Å; E221-M244 HydrophobicContact CG-SD 4.49Å; E221-T246 WeakPolarHBondContact OE1-CB 3.39Å; E221-T246 PolarHBondContact OE1-OG1 3.14Å; E221-Y295 PolarHBondContact OE1-OH 3.47Å
222	C	93.9	Very high	88.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.4	177.1	-178	0	0	0	0	110.8	I170 L238 V243 M244 I245 T246	I170-C222 HydrophobicContact CD1-CB 3.99Å; I170-C222 HydrophobicContact CG1-CB 3.7Å; I170-C222 CarbonylContact O-C 3.57Å; I170-C222 VanDerWaalsContact O-CA 3.27Å; I170-C222 WeakPolarHBondContact O-CA 3.15Å; C222-L238 HydrophobicContact CB-CD1 3.8Å; C222-L238 HydrophobicContact CB-CD2 4Å; C222-L238 VanDerWaalsContact SG-CD1 3.58Å; C222-V243 HydrophobicContact CB-CG1 3.79Å; C222-M244 PolarHBondContact N-O 3.21Å; C222-I245 WeakPolarHBondContact O-CA 3.38Å; C222-T246 PolarHBondContact O-N 2.97Å
223	L	93.6	Very high	88.7	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	119.4	176.2	-52.3	-176.1	0	0	0	110.4	I169 I170 L172 T246 P248 T291 A292 Y295	I169-L223 HydrophobicContact CD1-CD1 4.19Å; I169-L223 HydrophobicContact CD1-CD2 3.82Å; I169-L223 HydrophobicContact CD1-CG 3.92Å; I169-L223 HydrophobicContact CG1-CG 4.26Å; I170-L223 PolarHBondContact O-N 3.33Å; L172-L223 PolarHBondContact N-O 3.18Å; L172-L223 VanDerWaalsContact N-O 3.12Å; L223-T246 WeakPolarHBondContact CA-O 3.47Å; L223-T246 HydrophobicContact CD2-CG2 4.02Å; L223-P248 HydrophobicContact CB-CG 4.44Å; L223-T291 HydrophobicContact CD1-CG2 4.46Å; L223-A292 HydrophobicContact CD1-CB 4.23Å; L223-Y295 HydrophobicContact CD1-CD1 3.76Å; L223-Y295 HydrophobicContact CD1-CG 3.71Å; L223-Y295 HydrophobicContact CD2-CD1 3.73Å; L223-Y295 HydrophobicContact CD2-CD2 4.19Å; L223-Y295 HydrophobicContact CD2-CE1 3.82Å; L223-Y295 HydrophobicContact CD2-CE2 4.3Å; L223-Y295 HydrophobicContact CD2-CG 3.9Å; L223-Y295 HydrophobicContact CG-CD1 4.32Å; L223-Y295 HydrophobicContact CG-CG 4.47Å
224	L	93.5	Very high	88.6	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	22%	0.216	C	C	.	.			trans	-121.3	143.1	178.3	-63.9	-175.7	0	0	0	112	L172 S226 Y231 V234 L238 I245 T246 M247 P248	L172-L224 HydrophobicContact CB-CD2 3.9Å; L172-L224 HydrophobicContact CD2-CD2 3.95Å; L172-L224 HydrophobicContact CG-CD2 4.46Å; L224-S226 VanDerWaalsContact C-N 3.33Å; L224-Y231 HydrophobicContact CD1-CD1 4.46Å; L224-Y231 HydrophobicContact CD2-CD1 4.08Å; L224-Y231 HydrophobicContact CD2-CE1 4.32Å; L224-V234 HydrophobicContact CD1-CG1 4.23Å; L224-V234 HydrophobicContact CD2-CG1 4.22Å; L224-L238 HydrophobicContact CD1-CD1 3.87Å; L224-L238 HydrophobicContact CD2-CD1 4.46Å; L224-L238 HydrophobicContact CG-CD1 4.34Å; L224-I245 HydrophobicContact CB-CG2 4.35Å; L224-I245 HydrophobicContact CD1-CG2 3.85Å; L224-I245 HydrophobicContact CG-CG2 4.16Å; L224-T246 PolarHBondContact N-O 3.42Å; L224-M247 WeakPolarHBondContact O-CA 3.45Å; L224-P248 WeakPolarHBondContact O-CD 3.46Å
225	P	90.5	Very high	88.5	Confident	71 Å²	71	38.8 Å²	38.8	46%	0.461	23%	0.23	S	C	.	.	S	Bend	trans	-74.5	-22.9	176.7	32	-37.2	0	0	0	113.3	L172 L173 Y231	L172-P225 WeakPolarHBondContact O-CD 3.42Å; L173-P225 HydrophobicContact CD2-CB 4.3Å; L173-P225 HydrophobicContact CD2-CG 3.75Å; P225-Y231 HydrophobicContact CG-CE1 3.78Å; P225-Y231 HydrophobicContact CG-CE2 3.88Å; P225-Y231 WeakPolarHBondContact CG-OH 3.23Å
226	S	87.9	Confident	88.3	Confident	42 Å²	42	41.5 Å²	41.5	29%	0.294	25%	0.247	S	C	.	.			trans	-155	160.8	179.2	-177.5	0	0	0	0	109.6	L224 E228 Y231	L224-S226 VanDerWaalsContact C-N 3.33Å; S226-E228 PolarHBondContact OG-N 3.32Å; S226-E228 VanDerWaalsContact OG-N 3.13Å; S226-E228 PolarHBondContact OG-O 2.83Å; S226-Y231 WeakPolarHBondContact O-CB 3.29Å
227	I	85.6	Confident	88.1	Confident	48 Å²	48	41.1 Å²	41.1	25%	0.246	25%	0.245	C	C	.	.	S	Bend	trans	-115	1.4	170.5	56.6	172.6	0	0	0	112.7	K235 I245 M247	I227-K235 HydrophobicContact CB-CD 4.13Å; I227-K235 HydrophobicContact CG2-CD 4.36Å; I227-I245 HydrophobicContact CG2-CG2 4.02Å; I227-M247 HydrophobicContact CB-SD 4.26Å; I227-M247 HydrophobicContact CD1-CE 3.84Å; I227-M247 HydrophobicContact CD1-SD 4.15Å; I227-M247 HydrophobicContact CG1-CE 4.17Å; I227-M247 HydrophobicContact CG1-SD 3.79Å; I227-M247 HydrophobicContact CG2-CE 4.43Å; I227-M247 HydrophobicContact CG2-CG 4.15Å; I227-M247 HydrophobicContact CG2-SD 3.75Å
228	E	86.3	Confident	88.1	Confident	152 Å²	152	40.8 Å²	40.8	71%	0.71	24%	0.243	S	C	*	.	S	Bend	trans	-109.8	164.2	-179.4	-62.7	-179.9	-179.1	0	0	110.9	S226 Y231	S226-E228 PolarHBondContact OG-N 3.32Å; S226-E228 VanDerWaalsContact OG-N 3.13Å; S226-E228 PolarHBondContact OG-O 2.83Å; E228-Y231 PolarHBondContact O-N 2.95Å
229	G	85.9	Confident	88	Confident	65 Å²	65	43.8 Å²	43.8	67%	0.67	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	-130.4	-179	0	0	0	0	0	112.2	Y231 S232	G229-Y231 PolarHBondContact O-N 3.46Å; G229-S232 VanDerWaalsContact O-CB 3.29Å; G229-S232 WeakPolarHBondContact O-CB 3.37Å; G229-S232 PolarHBondContact O-N 3.34Å
230	E	81.8	Confident	87.4	Confident	76 Å²	76	47.3 Å²	47.3	36%	0.355	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-22.7	179.7	-63	-59	142.7	0	0	113.8	L176 R182	L176-E230 HydrophobicContact CD1-CG 4.07Å; L176-E230 WeakPolarHBondContact CD1-OE1 3.31Å; R182-E230 IonicContact CZ-OE2 3.39Å; R182-E230 IonicContact NE-OE2 3.25Å; R182-E230 PolarHBondContact NE-OE2 3.3Å; R182-E230 IonicContact NH2-OE2 2.72Å
231	Y	89.2	Confident	87.2	Confident	28 Å²	28	45.3 Å²	45.3	11%	0.11	26%	0.26	C	S	.	.	H	α-helix	trans	-87.3	-5	-179.9	-65.9	-87.7	0	0	0	113.7	L172 V174 L224 P225 S226 E228 G229 V234 K235	L172-Y231 HydrophobicContact CD2-CE1 4.04Å; V174-Y231 HydrophobicContact CB-CE1 4.22Å; V174-Y231 HydrophobicContact CG2-CD1 4.36Å; V174-Y231 HydrophobicContact CG2-CE1 3.86Å; V174-Y231 PolarHBondContact N-OH 3.43Å; V174-Y231 PolarHBondContact O-OH 2.8Å; L224-Y231 HydrophobicContact CD1-CD1 4.46Å; L224-Y231 HydrophobicContact CD2-CD1 4.08Å; L224-Y231 HydrophobicContact CD2-CE1 4.32Å; P225-Y231 HydrophobicContact CG-CE1 3.78Å; P225-Y231 HydrophobicContact CG-CE2 3.88Å; P225-Y231 WeakPolarHBondContact CG-OH 3.23Å; S226-Y231 WeakPolarHBondContact O-CB 3.29Å; E228-Y231 PolarHBondContact O-N 2.95Å; G229-Y231 PolarHBondContact O-N 3.46Å; Y231-V234 PolarHBondContact O-N 2.82Å; Y231-K235 WeakPolarHBondContact O-CB 3.36Å; Y231-K235 PolarHBondContact O-N 3.46Å
232	S	87.1	Confident	86.8	Confident	65 Å²	65	47.6 Å²	47.6	46%	0.455	28%	0.283	S	S	.	.	H	α-helix	trans	-63.5	-43.8	179.5	-176.8	0	0	0	0	112.1	G229 K235 T236	G229-S232 VanDerWaalsContact O-CB 3.29Å; G229-S232 WeakPolarHBondContact O-CB 3.37Å; G229-S232 PolarHBondContact O-N 3.34Å; S232-K235 PolarHBondContact O-N 2.81Å; S232-T236 PolarHBondContact O-N 3.36Å; S232-T236 VanDerWaalsContact O-N 3.12Å; S232-T236 PolarHBondContact O-OG1 3.05Å
233	A	84.3	Confident	86.5	Confident	45 Å²	45	47.9 Å²	47.9	37%	0.372	28%	0.284	S	S	.	.	H	α-helix	trans	-67.2	-42.2	175.4	0	0	0	0	0	111.4	F207 K235 T236 L237	F207-A233 HydrophobicContact CD2-CB 3.94Å; F207-A233 HydrophobicContact CE2-CB 3.8Å; A233-K235 VanDerWaalsContact C-N 3.35Å; A233-K235 PolarHBondContact O-N 3.08Å; A233-T236 WeakPolarHBondContact O-CB 3.34Å; A233-T236 PolarHBondContact O-N 3.47Å; A233-L237 PolarHBondContact O-N 2.97Å
234	V	90.1	Very high	86.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.7	-44	175.1	179.1	0	0	0	0	111.6	L172 V174 F207 L210 L224 Y231 T236 L237 L238	L172-V234 HydrophobicContact CD1-CG1 4.37Å; L172-V234 HydrophobicContact CD2-CG1 4.22Å; V174-V234 HydrophobicContact CG2-CG2 4.17Å; F207-V234 HydrophobicContact CD1-CG2 4.18Å; F207-V234 HydrophobicContact CD2-CG2 4Å; F207-V234 HydrophobicContact CE1-CG2 3.86Å; F207-V234 HydrophobicContact CE2-CG2 3.67Å; F207-V234 HydrophobicContact CG-CG2 4.23Å; F207-V234 HydrophobicContact CZ-CG2 3.57Å; L210-V234 HydrophobicContact CD2-CG1 4Å; L210-V234 HydrophobicContact CD2-CG2 4.22Å; L224-V234 HydrophobicContact CD1-CG1 4.23Å; L224-V234 HydrophobicContact CD2-CG1 4.22Å; Y231-V234 PolarHBondContact O-N 2.82Å; V234-T236 VanDerWaalsContact C-N 3.33Å; V234-T236 PolarHBondContact O-N 2.85Å; V234-L237 WeakPolarHBondContact O-CB 3.25Å; V234-L237 PolarHBondContact O-N 3.35Å; V234-L238 HydrophobicContact CG1-CD1 3.87Å; V234-L238 HydrophobicContact CG1-CG 4.32Å; V234-L238 VanDerWaalsContact O-CG 3.31Å; V234-L238 WeakPolarHBondContact O-CG 3.4Å; V234-L238 PolarHBondContact O-N 3.3Å
235	K	89.3	Confident	86	Confident	76 Å²	76	50.6 Å²	50.6	33%	0.33	30%	0.298	S	S	.	.	H	α-helix	trans	-56.8	-48.8	174.9	167.6	176.8	-178.7	-163.6	0	111	I227 Y231 S232 A233 L237 L238 D239 I245	I227-K235 HydrophobicContact CB-CD 4.13Å; I227-K235 HydrophobicContact CG2-CD 4.36Å; Y231-K235 WeakPolarHBondContact O-CB 3.36Å; Y231-K235 PolarHBondContact O-N 3.46Å; S232-K235 PolarHBondContact O-N 2.81Å; A233-K235 VanDerWaalsContact C-N 3.35Å; A233-K235 PolarHBondContact O-N 3.08Å; K235-L237 VanDerWaalsContact C-N 3.29Å; K235-L237 PolarHBondContact O-N 3.39Å; K235-L238 PolarHBondContact O-N 3.33Å; K235-D239 WeakPolarHBondContact CG-OD2 3.37Å; K235-D239 WeakPolarHBondContact O-CB 3.47Å; K235-D239 PolarHBondContact O-N 3.37Å; K235-I245 HydrophobicContact CB-CD1 3.89Å; K235-I245 HydrophobicContact CD-CD1 4.47Å; K235-I245 HydrophobicContact CG-CD1 3.57Å
236	T	84	Confident	85.9	Confident	72 Å²	72	47.6 Å²	47.6	44%	0.442	28%	0.279	S	S	.	.	H	α-helix	trans	-61.2	-39.6	-179.3	-54.3	0	0	0	0	111.6	S232 A233 V234 R240	S232-T236 PolarHBondContact O-N 3.36Å; S232-T236 VanDerWaalsContact O-N 3.12Å; S232-T236 PolarHBondContact O-OG1 3.05Å; A233-T236 WeakPolarHBondContact O-CB 3.34Å; A233-T236 PolarHBondContact O-N 3.47Å; V234-T236 VanDerWaalsContact C-N 3.33Å; V234-T236 PolarHBondContact O-N 2.85Å; T236-R240 WeakPolarHBondContact O-CB 3.49Å; T236-R240 PolarHBondContact O-N 3.19Å
237	L	86.2	Confident	85.9	Confident	6 Å²	6	50.7 Å²	50.7	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-64.1	-46.6	174.8	179.2	162.7	0	0	0	112.1	F207 L210 E211 V214 A233 V234 K235 R240 N241	F207-L237 HydrophobicContact CB-CD1 3.53Å; F207-L237 VanDerWaalsContact O-CD1 3.3Å; F207-L237 WeakPolarHBondContact O-CD1 3.46Å; L210-L237 HydrophobicContact CD2-CD1 4.37Å; L210-L237 HydrophobicContact CG-CD1 4.37Å; L210-L237 HydrophobicContact CG-CD2 4.46Å; E211-L237 HydrophobicContact CB-CD1 3.9Å; E211-L237 HydrophobicContact CB-CD2 4.47Å; E211-L237 HydrophobicContact CB-CG 4.25Å; V214-L237 HydrophobicContact CG2-CD2 4.2Å; A233-L237 PolarHBondContact O-N 2.97Å; V234-L237 WeakPolarHBondContact O-CB 3.25Å; V234-L237 PolarHBondContact O-N 3.35Å; K235-L237 VanDerWaalsContact C-N 3.29Å; K235-L237 PolarHBondContact O-N 3.39Å; L237-R240 WeakPolarHBondContact O-CB 3.48Å; L237-R240 PolarHBondContact O-N 2.98Å; L237-N241 PolarHBondContact O-N 3.11Å; L237-N241 VanDerWaalsContact O-N 3.13Å; L237-N241 PolarHBondContact O-ND2 2.94Å
238	L	88.9	Confident	85.9	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.7	-43.6	179.2	-69.4	169.5	0	0	0	111.8	I170 V214 C222 L224 V234 K235 R240 N241 G242 V243 I245	I170-L238 HydrophobicContact CD1-CD2 4.39Å; V214-L238 HydrophobicContact CG2-CD2 3.93Å; C222-L238 HydrophobicContact CB-CD1 3.8Å; C222-L238 HydrophobicContact CB-CD2 4Å; C222-L238 VanDerWaalsContact SG-CD1 3.58Å; L224-L238 HydrophobicContact CD1-CD1 3.87Å; L224-L238 HydrophobicContact CD2-CD1 4.46Å; L224-L238 HydrophobicContact CG-CD1 4.34Å; V234-L238 HydrophobicContact CG1-CD1 3.87Å; V234-L238 HydrophobicContact CG1-CG 4.32Å; V234-L238 VanDerWaalsContact O-CG 3.31Å; V234-L238 WeakPolarHBondContact O-CG 3.4Å; V234-L238 PolarHBondContact O-N 3.3Å; K235-L238 PolarHBondContact O-N 3.33Å; L238-R240 VanDerWaalsContact C-N 3.27Å; L238-R240 PolarHBondContact O-N 3.48Å; L238-N241 CarbonylContact O-C 3.47Å; L238-N241 PolarHBondContact O-N 2.9Å; L238-N241 VanDerWaalsContact O-N 3.11Å; L238-G242 PolarHBondContact O-N 3.14Å; L238-G242 VanDerWaalsContact O-N 3.1Å; L238-V243 HydrophobicContact CB-CB 4.24Å; L238-V243 HydrophobicContact CD2-CB 4.03Å; L238-V243 HydrophobicContact CD2-CG1 4.08Å; L238-V243 HydrophobicContact CD2-CG2 4.3Å; L238-V243 PolarHBondContact O-N 2.96Å; L238-I245 HydrophobicContact CB-CD1 4.06Å; L238-I245 HydrophobicContact CB-CG1 4.09Å; L238-I245 HydrophobicContact CD1-CD1 4.16Å; L238-I245 HydrophobicContact CD1-CG1 3.91Å
239	D	84.1	Confident	85.5	Confident	86 Å²	86	52.3 Å²	52.3	46%	0.46	30%	0.296	S	S	.	.	H	α-helix	trans	-60.9	-38.1	174.1	-73.6	-25.3	0	0	0	110.7	K235 N241 G242	K235-D239 WeakPolarHBondContact CG-OD2 3.37Å; K235-D239 WeakPolarHBondContact O-CB 3.47Å; K235-D239 PolarHBondContact O-N 3.37Å; D239-N241 VanDerWaalsContact C-N 3.28Å; D239-N241 PolarHBondContact O-N 3.16Å; D239-G242 PolarHBondContact O-N 3.32Å
240	R	77.8	Confident	84.7	Confident	79 Å²	79	59.5 Å²	59.5	30%	0.298	31%	0.309	S	S	.	.	H	α-helix	trans	-61.6	-36.8	174.9	172.6	174.8	70.6	-161.5	-10	112.7	E211 T236 L237 L238 G242 K740	E211-R240 IonicContact OE1-CZ 3.24Å; E211-R240 IonicContact OE1-NE 2.74Å; E211-R240 PolarHBondContact OE1-NE 3.45Å; E211-R240 IonicContact OE1-NH2 2.84Å; E211-R240 PolarHBondContact OE1-NH2 2.92Å; E211-R240 IonicContact OE2-CZ 3.58Å; E211-R240 IonicContact OE2-NH2 2.78Å; E211-R240 PolarHBondContact OE2-NH2 3.47Å; T236-R240 WeakPolarHBondContact O-CB 3.49Å; T236-R240 PolarHBondContact O-N 3.19Å; L237-R240 WeakPolarHBondContact O-CB 3.48Å; L237-R240 PolarHBondContact O-N 2.98Å; L238-R240 VanDerWaalsContact C-N 3.27Å; L238-R240 PolarHBondContact O-N 3.48Å; R240-G242 VanDerWaalsContact C-N 3.33Å; R240-K740 VanDerWaalsContact CA-NZ 3.31Å
241	N	81.3	Confident	83.5	Confident	39 Å²	39	58.2 Å²	58.2	21%	0.209	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	7.7	-178.7	-72.7	-75.7	0	0	0	113.3	E211 V214 L237 L238 D239 V243 S323	E211-N241 PolarHBondContact OE1-ND2 3.32Å; V214-N241 HydrophobicContact CG1-CB 3.9Å; L237-N241 PolarHBondContact O-N 3.11Å; L237-N241 VanDerWaalsContact O-N 3.13Å; L237-N241 PolarHBondContact O-ND2 2.94Å; L238-N241 CarbonylContact O-C 3.47Å; L238-N241 PolarHBondContact O-N 2.9Å; L238-N241 VanDerWaalsContact O-N 3.11Å; D239-N241 VanDerWaalsContact C-N 3.28Å; D239-N241 PolarHBondContact O-N 3.16Å; N241-V243 VanDerWaalsContact C-N 3.3Å; N241-V243 HydrophobicContact CB-CG2 4.2Å; N241-V243 PolarHBondContact O-N 2.73Å; N241-S323 VanDerWaalsContact OD1-CB 3.28Å; N241-S323 WeakPolarHBondContact OD1-CB 3.43Å; N241-S323 PolarHBondContact OD1-OG 2.98Å
242	G	81	Confident	82.1	Confident	47 Å²	47	59.2 Å²	59.2	49%	0.485	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	26.6	177.1	0	0	0	0	0	114	L238 D239 R240	L238-G242 PolarHBondContact O-N 3.14Å; L238-G242 VanDerWaalsContact O-N 3.1Å; D239-G242 PolarHBondContact O-N 3.32Å; R240-G242 VanDerWaalsContact C-N 3.33Å
243	V	87.2	Confident	80.7	Confident	6 Å²	6	63.9 Å²	63.9	4%	0.036	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-93.3	125.6	179.5	-174.4	0	0	0	0	109.5	V214 P219 C222 L238 N241	V214-V243 HydrophobicContact CG1-CG2 3.76Å; P219-V243 HydrophobicContact CG-CG1 4.26Å; P219-V243 HydrophobicContact CG-CG2 4.32Å; C222-V243 HydrophobicContact CB-CG1 3.79Å; L238-V243 HydrophobicContact CB-CB 4.24Å; L238-V243 HydrophobicContact CD2-CB 4.03Å; L238-V243 HydrophobicContact CD2-CG1 4.08Å; L238-V243 HydrophobicContact CD2-CG2 4.3Å; L238-V243 PolarHBondContact O-N 2.96Å; N241-V243 VanDerWaalsContact C-N 3.3Å; N241-V243 HydrophobicContact CB-CG2 4.2Å; N241-V243 PolarHBondContact O-N 2.73Å
244	M	86.4	Confident	79.7	Confident	28 Å²	28	65.9 Å²	65.9	14%	0.138	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	136.7	176.2	177.7	-174.9	-70.4	0	0	110.8	N126 R128 P147 K220 E221 C222	N126-M244 HydrophobicContact CB-CE 4.47Å; N126-M244 WeakPolarHBondContact O-CE 3.28Å; R128-M244 HydrophobicContact CG-CE 4.29Å; R128-M244 HydrophobicContact CG-SD 4.09Å; P147-M244 VanDerWaalsContact CD-CE 3.49Å; P147-M244 HydrophobicContact CG-CE 3.64Å; K220-M244 WeakPolarHBondContact O-CB 3.49Å; K220-M244 PolarHBondContact O-N 2.88Å; K220-M244 VanDerWaalsContact O-N 3.11Å; E221-M244 CarbonylContact C-O 3.52Å; E221-M244 VanDerWaalsContact CA-O 3.29Å; E221-M244 WeakPolarHBondContact CA-O 3.33Å; E221-M244 HydrophobicContact CG-CB 4.42Å; E221-M244 HydrophobicContact CG-CG 4.49Å; E221-M244 HydrophobicContact CG-SD 4.49Å; C222-M244 PolarHBondContact N-O 3.21Å
245	I	90.4	Very high	79.3	Confident	31 Å²	31	70.1 Å²	70.1	16%	0.159	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.4	174.3	-59.5	166.4	0	0	0	110.7	R128 C222 L224 I227 K235 L238	R128-I245 PolarHBondContact NH2-O 3.39Å; C222-I245 WeakPolarHBondContact O-CA 3.38Å; L224-I245 HydrophobicContact CB-CG2 4.35Å; L224-I245 HydrophobicContact CD1-CG2 3.85Å; L224-I245 HydrophobicContact CG-CG2 4.16Å; I227-I245 HydrophobicContact CG2-CG2 4.02Å; K235-I245 HydrophobicContact CB-CD1 3.89Å; K235-I245 HydrophobicContact CD-CD1 4.47Å; K235-I245 HydrophobicContact CG-CD1 3.57Å; L238-I245 HydrophobicContact CB-CD1 4.06Å; L238-I245 HydrophobicContact CB-CG1 4.09Å; L238-I245 HydrophobicContact CD1-CD1 4.16Å; L238-I245 HydrophobicContact CD1-CG1 3.91Å
246	T	88.9	Confident	79.3	Confident	8 Å²	8	67.4 Å²	67.4	5%	0.049	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.9	175.5	-57.5	0	0	0	0	109.8	R128 E221 C222 L223 L224 P248 Y295	R128-T246 PolarHBondContact NH2-OG1 3.4Å; E221-T246 WeakPolarHBondContact OE1-CB 3.39Å; E221-T246 PolarHBondContact OE1-OG1 3.14Å; C222-T246 PolarHBondContact O-N 2.97Å; L223-T246 WeakPolarHBondContact CA-O 3.47Å; L223-T246 HydrophobicContact CD2-CG2 4.02Å; L224-T246 PolarHBondContact N-O 3.42Å; T246-P248 WeakPolarHBondContact O-CD 3.45Å; T246-Y295 HydrophobicContact CG2-CE2 3.7Å
247	M	89.2	Confident	79.6	Confident	107 Å²	107	66.6 Å²	66.6	53%	0.527	36%	0.356	S	S	.	.			trans	-101	97.1	173.4	-68.7	-175.9	-70.8	0	0	109.5	L224 I227	L224-M247 WeakPolarHBondContact O-CA 3.45Å; I227-M247 HydrophobicContact CB-SD 4.26Å; I227-M247 HydrophobicContact CD1-CE 3.84Å; I227-M247 HydrophobicContact CD1-SD 4.15Å; I227-M247 HydrophobicContact CG1-CE 4.17Å; I227-M247 HydrophobicContact CG1-SD 3.79Å; I227-M247 HydrophobicContact CG2-CE 4.43Å; I227-M247 HydrophobicContact CG2-CG 4.15Å; I227-M247 HydrophobicContact CG2-SD 3.75Å
248	P	84.1	Confident	79.7	Confident	35 Å²	35	72.1 Å²	72.1	23%	0.227	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-66	146.7	176.5	26	-31.4	0	0	0	110.8	L223 L224 T246 T291 Y295	L223-P248 HydrophobicContact CB-CG 4.44Å; L224-P248 WeakPolarHBondContact O-CD 3.46Å; T246-P248 WeakPolarHBondContact O-CD 3.45Å; P248-T291 HydrophobicContact CB-CG2 4.33Å; P248-T291 HydrophobicContact CG-CG2 3.5Å; P248-T291 VanDerWaalsContact CG-CG2 3.5Å; P248-Y295 HydrophobicContact CB-CD2 4.4Å
249	K	78.6	Confident	79.9	Confident	200 Å²	200	72.8 Å²	72.8	87%	0.87	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-61.2	140.4	173.6	-67.9	-175.8	179.7	-179.5	0	109.5	S251	K249-S251 PolarHBondContact O-N 2.97Å
250	K	68.1	Low	80.3	Confident	216 Å²	216	68.7 Å²	68.7	94%	0.939	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-51.5	119.2	174.7	-74.5	-172.3	178.6	-178.7	0	109.7
251	S	57.8	Low	80.9	Confident	49 Å²	49	67.8 Å²	67.8	34%	0.343	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-82.9	140.1	-178.4	47.9	0	0	0	0	111	K249 K294	K249-S251 PolarHBondContact O-N 2.97Å; S251-K294 VanDerWaalsContact CB-CD 3.42Å; S251-K294 VanDerWaalsContact CB-NZ 3.31Å
252	G	59.8	Low	81.4	Confident	49 Å²	49	71.3 Å²	71.3	51%	0.505	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-60.8	167.5	165	0	0	0	0	0	113	N254	G252-N254 PolarHBondContact O-N 3.2Å
253	D	57.9	Low	81.9	Confident	163 Å²	163	69 Å²	69	87%	0.872	35%	0.352	S	S	*	.			trans	-68.5	90.1	179.7	-87.6	-26.6	0	0	0	111.8
254	N	63.2	Low	82.1	Confident	86 Å²	86	69.2 Å²	69.2	46%	0.46	35%	0.352	S	S	.	.			trans	-96.6	150.4	157.9	-75	12.8	0	0	0	109.5	G252 K290	G252-N254 PolarHBondContact O-N 3.2Å; N254-K290 WeakPolarHBondContact O-CE 3.38Å; N254-K290 PolarHBondContact O-NZ 2.98Å
255	D	81.6	Confident	82	Confident	89 Å²	89	73 Å²	73	48%	0.476	37%	0.365	S	S	.	.			trans	-86.8	117.4	177.7	-169.2	-6.2	0	0	0	110.7	L257 Q258 D259	D255-L257 PolarHBondContact O-N 3.38Å; D255-L257 WeakPolarHBondContact OD1-CB 3.09Å; D255-L257 PolarHBondContact OD1-N 2.95Å; D255-Q258 HydrophobicContact CB-CB 4.17Å; D255-Q258 WeakPolarHBondContact O-CB 3Å; D255-Q258 PolarHBondContact O-N 3.32Å; D255-D259 PolarHBondContact O-N 3.49Å
256	L	88.3	Confident	81.6	Confident	19 Å²	19	73.2 Å²	73.2	10%	0.099	37%	0.365	C	S	.	.	H	α-helix	trans	-57.1	-36.2	177.2	172.8	65	0	0	0	111.4	Q258 D259 L260 S286 K290 I293	L256-Q258 VanDerWaalsContact C-N 3.32Å; L256-Q258 PolarHBondContact O-N 2.93Å; L256-D259 PolarHBondContact O-N 3.22Å; L256-L260 HydrophobicContact CD1-CD1 4.05Å; L256-L260 HydrophobicContact CD1-CD2 4.48Å; L256-L260 HydrophobicContact CD1-CG 3.96Å; L256-L260 HydrophobicContact CD2-CD1 4.42Å; L256-L260 HydrophobicContact CG-CD1 3.88Å; L256-L260 HydrophobicContact CG-CG 4.21Å; L256-L260 WeakPolarHBondContact O-CB 3.47Å; L256-L260 VanDerWaalsContact O-CG 3.31Å; L256-L260 WeakPolarHBondContact O-CG 3.46Å; L256-L260 PolarHBondContact O-N 3.11Å; L256-S286 VanDerWaalsContact CD2-O 3.26Å; L256-S286 WeakPolarHBondContact CD2-O 3.4Å; L256-K290 HydrophobicContact CB-CB 4.4Å; L256-K290 HydrophobicContact CB-CG 4.46Å; L256-K290 HydrophobicContact CD1-CB 4.04Å; L256-I293 HydrophobicContact CD1-CD1 3.91Å
257	L	89.8	Confident	80.8	Confident	56 Å²	56	75.8 Å²	75.8	29%	0.293	39%	0.387	S	S	.	.	H	α-helix	trans	-64	-40.2	-179.6	-70.4	168.6	0	0	0	111.3	D255 L260 N261 A274 T275 L280	D255-L257 PolarHBondContact O-N 3.38Å; D255-L257 WeakPolarHBondContact OD1-CB 3.09Å; D255-L257 PolarHBondContact OD1-N 2.95Å; L257-L260 PolarHBondContact O-N 3.43Å; L257-N261 WeakPolarHBondContact O-CB 3.44Å; L257-N261 PolarHBondContact O-N 2.84Å; L257-N261 PolarHBondContact O-ND2 3.19Å; L257-A274 HydrophobicContact CD2-CB 4.23Å; L257-T275 HydrophobicContact CD1-CG2 4.03Å; L257-T275 HydrophobicContact CD2-CG2 4.06Å; L257-L280 HydrophobicContact CD2-CD1 3.62Å
258	Q	89.9	Confident	79.8	Confident	121 Å²	121	81.2 Å²	81.2	57%	0.565	41%	0.407	S	S	*	.	H	α-helix	trans	-63.9	-43.3	176.7	-172.2	-178.8	10.1	0	0	111.4	D255 L256 R262	D255-Q258 HydrophobicContact CB-CB 4.17Å; D255-Q258 WeakPolarHBondContact O-CB 3Å; D255-Q258 PolarHBondContact O-N 3.32Å; L256-Q258 VanDerWaalsContact C-N 3.32Å; L256-Q258 PolarHBondContact O-N 2.93Å; Q258-R262 WeakPolarHBondContact O-CG 3.49Å; Q258-R262 PolarHBondContact O-N 3.23Å
259	D	91.9	Very high	78.9	Confident	15 Å²	15	83.7 Å²	83.7	8%	0.08	44%	0.44	C	S	.	.	H	α-helix	trans	-65.1	-43.9	177.9	-70.2	-20.7	0	0	0	111.1	D255 L256 R262 L263 I293 V299	D255-D259 PolarHBondContact O-N 3.49Å; L256-D259 PolarHBondContact O-N 3.22Å; D259-R262 PolarHBondContact O-N 2.67Å; D259-R262 VanDerWaalsContact O-N 3.16Å; D259-L263 WeakPolarHBondContact O-CB 3.41Å; D259-L263 VanDerWaalsContact O-CG 3.29Å; D259-L263 WeakPolarHBondContact O-CG 3.23Å; D259-L263 PolarHBondContact O-N 3.45Å; D259-I293 HydrophobicContact CB-CG2 4.37Å; D259-V299 HydrophobicContact CB-CG2 3.91Å
260	L	93.1	Very high	78.9	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-64.1	-42.3	177.8	-71.9	177.6	0	0	0	112.5	F196 L256 L257 R262 L263 L264 A274 L280 L289 I293	F196-L260 HydrophobicContact CD2-CD2 4.19Å; F196-L260 HydrophobicContact CE2-CD2 4.07Å; L256-L260 HydrophobicContact CD1-CD1 4.05Å; L256-L260 HydrophobicContact CD1-CD2 4.48Å; L256-L260 HydrophobicContact CD1-CG 3.96Å; L256-L260 HydrophobicContact CD2-CD1 4.42Å; L256-L260 HydrophobicContact CG-CD1 3.88Å; L256-L260 HydrophobicContact CG-CG 4.21Å; L256-L260 WeakPolarHBondContact O-CB 3.47Å; L256-L260 VanDerWaalsContact O-CG 3.31Å; L256-L260 WeakPolarHBondContact O-CG 3.46Å; L256-L260 PolarHBondContact O-N 3.11Å; L257-L260 PolarHBondContact O-N 3.43Å; L260-R262 PolarHBondContact O-N 3.4Å; L260-R262 VanDerWaalsContact O-N 3.15Å; L260-L263 PolarHBondContact O-N 2.91Å; L260-L263 VanDerWaalsContact O-N 3.11Å; L260-L264 HydrophobicContact CB-CD1 3.96Å; L260-L264 HydrophobicContact CB-CG 4.25Å; L260-L264 HydrophobicContact CD2-CD1 4.28Å; L260-L264 HydrophobicContact CD2-CD2 4.41Å; L260-L264 HydrophobicContact CD2-CG 4.24Å; L260-L264 VanDerWaalsContact O-CB 3.27Å; L260-L264 WeakPolarHBondContact O-CB 3.36Å; L260-L264 VanDerWaalsContact O-CG 3.24Å; L260-L264 WeakPolarHBondContact O-CG 3.17Å; L260-L264 PolarHBondContact O-N 3.15Å; L260-A274 HydrophobicContact CB-CB 3.83Å; L260-A274 HydrophobicContact CD1-CB 4.42Å; L260-L280 HydrophobicContact CD1-CD1 3.99Å; L260-L280 HydrophobicContact CD1-CD2 3.6Å; L260-L280 HydrophobicContact CD1-CG 4.4Å; L260-L289 HydrophobicContact CD2-CD2 4.03Å; L260-I293 HydrophobicContact CD2-CD1 4.06Å
261	N	91.2	Very high	79.2	Confident	60 Å²	60	75.1 Å²	75.1	32%	0.321	41%	0.406	S	S	.	.	H	α-helix	trans	-60	-26	175.9	-78.3	-23.2	0	0	0	112.8	L257 D273 A274	L257-N261 WeakPolarHBondContact O-CB 3.44Å; L257-N261 PolarHBondContact O-N 2.84Å; L257-N261 PolarHBondContact O-ND2 3.19Å; N261-D273 WeakPolarHBondContact OD1-CA 3.32Å; N261-A274 WeakPolarHBondContact OD1-CB 3.4Å; N261-A274 PolarHBondContact OD1-N 3.29Å
262	R	90.6	Very high	80.2	Confident	112 Å²	112	80.5 Å²	80.5	42%	0.423	43%	0.426	S	S	.	.	H	α-helix	trans	-86.4	-31.8	175.4	-67.1	177.2	64.9	-171.4	-5.7	113.3	Q258 D259 L260 V299 L305 G306	Q258-R262 WeakPolarHBondContact O-CG 3.49Å; Q258-R262 PolarHBondContact O-N 3.23Å; D259-R262 PolarHBondContact O-N 2.67Å; D259-R262 VanDerWaalsContact O-N 3.16Å; L260-R262 PolarHBondContact O-N 3.4Å; L260-R262 VanDerWaalsContact O-N 3.15Å; R262-V299 PolarHBondContact NH2-O 3.04Å; R262-L305 HydrophobicContact CB-CD2 4.2Å; R262-L305 CarbonylContact O-C 3.55Å; R262-L305 VanDerWaalsContact O-CA 3.29Å; R262-L305 WeakPolarHBondContact O-CA 3.42Å; R262-G306 PolarHBondContact O-N 2.82Å
263	L	91.3	Very high	81.4	Confident	0 Å²	0	80.2 Å²	80.2	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-90.8	-34	-174.1	-69.7	168.7	0	0	0	113.1	F196 D259 L260 I293 L298 V299 N304 L305 G306 H307 Y308	F196-L263 HydrophobicContact CE2-CB 4.33Å; F196-L263 HydrophobicContact CE2-CD1 4.46Å; F196-L263 HydrophobicContact CZ-CD1 4.15Å; D259-L263 WeakPolarHBondContact O-CB 3.41Å; D259-L263 VanDerWaalsContact O-CG 3.29Å; D259-L263 WeakPolarHBondContact O-CG 3.23Å; D259-L263 PolarHBondContact O-N 3.45Å; L260-L263 PolarHBondContact O-N 2.91Å; L260-L263 VanDerWaalsContact O-N 3.11Å; L263-I293 HydrophobicContact CD1-CD1 4.04Å; L263-I293 HydrophobicContact CD1-CG1 4.24Å; L263-I293 HydrophobicContact CD1-CG2 3.79Å; L263-L298 HydrophobicContact CD1-CB 4.23Å; L263-L298 HydrophobicContact CD2-CB 3.94Å; L263-V299 HydrophobicContact CD1-CG2 3.85Å; L263-V299 HydrophobicContact CD2-CG2 4.39Å; L263-V299 HydrophobicContact CG-CG2 4.16Å; L263-N304 HydrophobicContact CD2-CB 3.97Å; L263-L305 HydrophobicContact CD2-CD2 4.28Å; L263-G306 CarbonylContact O-C 3.5Å; L263-G306 PolarHBondContact O-N 3.17Å; L263-H307 PolarHBondContact O-N 3.24Å; L263-Y308 HydrophobicContact CB-CD2 4.44Å; L263-Y308 HydrophobicContact CD2-CD2 4.4Å; L263-Y308 PolarHBondContact O-N 2.78Å
264	L	90.9	Very high	82.7	Confident	9 Å²	9	72.4 Å²	72.4	5%	0.047	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-77.2	141.4	-171.4	-66.6	179.2	0	0	0	112.5	F196 L260 F266 A274 L277 Y308 I310	F196-L264 HydrophobicContact CD2-CD2 3.98Å; F196-L264 HydrophobicContact CE2-CD2 4.17Å; L260-L264 HydrophobicContact CB-CD1 3.96Å; L260-L264 HydrophobicContact CB-CG 4.25Å; L260-L264 HydrophobicContact CD2-CD1 4.28Å; L260-L264 HydrophobicContact CD2-CD2 4.41Å; L260-L264 HydrophobicContact CD2-CG 4.24Å; L260-L264 VanDerWaalsContact O-CB 3.27Å; L260-L264 WeakPolarHBondContact O-CB 3.36Å; L260-L264 VanDerWaalsContact O-CG 3.24Å; L260-L264 WeakPolarHBondContact O-CG 3.17Å; L260-L264 PolarHBondContact O-N 3.15Å; L264-F266 HydrophobicContact CB-CE2 4.07Å; L264-F266 HydrophobicContact CB-CZ 4.1Å; L264-F266 HydrophobicContact CD1-CZ 4.37Å; L264-A274 HydrophobicContact CD1-CB 4.28Å; L264-L277 HydrophobicContact CD1-CD1 3.53Å; L264-Y308 CarbonylContact C-O 3.52Å; L264-Y308 WeakPolarHBondContact CA-O 3.35Å; L264-I310 HydrophobicContact CD1-CG2 3.94Å; L264-I310 HydrophobicContact CD2-CB 3.89Å; L264-I310 HydrophobicContact CD2-CG2 3.86Å
265	R	85.4	Confident	83.7	Confident	109 Å²	109	72.4 Å²	72.4	41%	0.411	37%	0.374	S	S	.	.			trans	-90.2	110.7	166.9	-170.2	-176.6	69.8	-164.6	1	109.2	G306 Y308	R265-G306 VanDerWaalsContact CB-O 3.31Å; R265-G306 WeakPolarHBondContact CB-O 3.33Å; R265-Y308 PolarHBondContact N-O 3.04Å
266	F	81.8	Confident	83.6	Confident	34 Å²	34	71.4 Å²	71.4	15%	0.149	38%	0.384	C	S	.	.			trans	-82.7	142	172.9	-62.3	-83.7	0	0	0	111	L264 Q270 Q271 E272	L264-F266 HydrophobicContact CB-CE2 4.07Å; L264-F266 HydrophobicContact CB-CZ 4.1Å; L264-F266 HydrophobicContact CD1-CZ 4.37Å; F266-Q270 HydrophobicContact CB-CB 4.45Å; F266-Q270 HydrophobicContact CD1-CG 4.34Å; F266-Q271 WeakPolarHBondContact CD1-O 3.33Å; F266-E272 HydrophobicContact CB-CG 4.1Å; F266-E272 HydrophobicContact CD2-CB 3.98Å; F266-E272 HydrophobicContact CD2-CG 4.09Å; F266-E272 HydrophobicContact CE2-CB 4.32Å; F266-E272 HydrophobicContact CG-CB 4.29Å; F266-E272 HydrophobicContact CG-CG 4.21Å
267	A	71.8	Confident	83.5	Confident	62 Å²	62	71.6 Å²	71.6	51%	0.512	39%	0.386	S	S	.	.			trans	-68.6	155.1	176.8	0	0	0	0	0	111.1	G269 Q270	A267-G269 PolarHBondContact O-N 2.87Å; A267-Q270 HydrophobicContact CB-CB 4.23Å; A267-Q270 VanDerWaalsContact O-CB 3.25Å; A267-Q270 WeakPolarHBondContact O-CB 3.46Å; A267-Q270 PolarHBondContact O-N 2.84Å
268	K	68.1	Low	83.5	Confident	221 Å²	221	76.3 Å²	76.3	96%	0.961	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	115.4	178.3	-168.5	176.2	-177	177.6	0	110.2
269	G	66.6	Low	83.4	Confident	88 Å²	88	72.5 Å²	72.5	91%	0.907	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	-0	-177	0	0	0	0	0	115.1	A267	A267-G269 PolarHBondContact O-N 2.87Å
270	Q	77.3	Confident	83.3	Confident	89 Å²	89	72.7 Å²	72.7	42%	0.416	39%	0.387	S	S	.	.	S	Bend	trans	-78.6	146.3	167.7	-170.9	179.2	-5.1	0	0	109.7	F266 A267 E272	F266-Q270 HydrophobicContact CB-CB 4.45Å; F266-Q270 HydrophobicContact CD1-CG 4.34Å; A267-Q270 HydrophobicContact CB-CB 4.23Å; A267-Q270 VanDerWaalsContact O-CB 3.25Å; A267-Q270 WeakPolarHBondContact O-CB 3.46Å; A267-Q270 PolarHBondContact O-N 2.84Å; Q270-E272 PolarHBondContact O-N 2.75Å
271	Q	75.3	Confident	83.2	Confident	146 Å²	146	79.7 Å²	79.7	68%	0.682	42%	0.42	S	S	*	.			trans	-63.3	126.2	169.2	-173.7	176.8	-18.4	0	0	108.9	F266 D273	F266-Q271 WeakPolarHBondContact CD1-O 3.33Å; Q271-D273 HydrophobicContact CG-CB 3.97Å; Q271-D273 PolarHBondContact O-N 2.92Å
272	E	79.2	Confident	83.2	Confident	162 Å²	162	78 Å²	78	76%	0.757	41%	0.41	S	S	*	.	S	Bend	trans	-75.6	57	177.1	-63.2	-179.2	174.6	0	0	110.9	F266 Q270	F266-E272 HydrophobicContact CB-CG 4.1Å; F266-E272 HydrophobicContact CD2-CB 3.98Å; F266-E272 HydrophobicContact CD2-CG 4.09Å; F266-E272 HydrophobicContact CE2-CB 4.32Å; F266-E272 HydrophobicContact CG-CB 4.29Å; F266-E272 HydrophobicContact CG-CG 4.21Å; Q270-E272 PolarHBondContact O-N 2.75Å
273	D	84.3	Confident	83.3	Confident	43 Å²	43	78.4 Å²	78.4	23%	0.23	42%	0.417	C	S	.	.			trans	-143.7	122	179.2	-170.6	5.3	0	0	0	110.7	N261 Q271 T275	N261-D273 WeakPolarHBondContact OD1-CA 3.32Å; Q271-D273 HydrophobicContact CG-CB 3.97Å; Q271-D273 PolarHBondContact O-N 2.92Å; D273-T275 PolarHBondContact O-N 3.45Å; D273-T275 VanDerWaalsContact OD1-CG2 3.31Å; D273-T275 WeakPolarHBondContact OD1-CG2 3.47Å; D273-T275 PolarHBondContact OD1-N 3.27Å; D273-T275 VanDerWaalsContact OD1-N 3.12Å; D273-T275 PolarHBondContact OD1-OG1 3.48Å; D273-T275 PolarHBondContact OD2-OG1 3.01Å
274	A	85.1	Confident	83.4	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-68.6	-20.3	178.8	0	0	0	0	0	112.6	L257 L260 N261 L264 G276 L277 L280	L257-A274 HydrophobicContact CD2-CB 4.23Å; L260-A274 HydrophobicContact CB-CB 3.83Å; L260-A274 HydrophobicContact CD1-CB 4.42Å; N261-A274 WeakPolarHBondContact OD1-CB 3.4Å; N261-A274 PolarHBondContact OD1-N 3.29Å; L264-A274 HydrophobicContact CD1-CB 4.28Å; A274-G276 PolarHBondContact O-N 2.91Å; A274-G276 VanDerWaalsContact O-N 3.11Å; A274-L277 HydrophobicContact CB-CD1 3.92Å; A274-L277 VanDerWaalsContact O-CB 3.32Å; A274-L277 WeakPolarHBondContact O-CB 3.45Å; A274-L277 VanDerWaalsContact O-CG 3.29Å; A274-L277 WeakPolarHBondContact O-CG 3.26Å; A274-L277 PolarHBondContact O-N 3.49Å; A274-L280 HydrophobicContact CB-CD1 4.27Å; A274-L280 WeakPolarHBondContact O-CD1 3.46Å
275	T	83.9	Confident	83.6	Confident	86 Å²	86	79.2 Å²	79.2	53%	0.528	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-57	-30.6	-176.3	60.8	0	0	0	0	114	L257 D273 L277	L257-T275 HydrophobicContact CD1-CG2 4.03Å; L257-T275 HydrophobicContact CD2-CG2 4.06Å; D273-T275 PolarHBondContact O-N 3.45Å; D273-T275 VanDerWaalsContact OD1-CG2 3.31Å; D273-T275 WeakPolarHBondContact OD1-CG2 3.47Å; D273-T275 PolarHBondContact OD1-N 3.27Å; D273-T275 VanDerWaalsContact OD1-N 3.12Å; D273-T275 PolarHBondContact OD1-OG1 3.48Å; D273-T275 PolarHBondContact OD2-OG1 3.01Å; T275-L277 VanDerWaalsContact C-N 3.34Å
276	G	80.9	Confident	84	Confident	67 Å²	67	74.3 Å²	74.3	69%	0.691	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-84.2	-0.5	-179.1	0	0	0	0	0	115.3	A274	A274-G276 PolarHBondContact O-N 2.91Å; A274-G276 VanDerWaalsContact O-N 3.11Å
277	L	85.8	Confident	84.5	Confident	24 Å²	24	76.4 Å²	76.4	13%	0.126	42%	0.417	C	S	.	.			trans	-75.4	128.3	-175.6	-64.9	172.7	0	0	0	111.3	L264 A274 T275 E279 L280 I310	L264-L277 HydrophobicContact CD1-CD1 3.53Å; A274-L277 HydrophobicContact CB-CD1 3.92Å; A274-L277 VanDerWaalsContact O-CB 3.32Å; A274-L277 WeakPolarHBondContact O-CB 3.45Å; A274-L277 VanDerWaalsContact O-CG 3.29Å; A274-L277 WeakPolarHBondContact O-CG 3.26Å; A274-L277 PolarHBondContact O-N 3.49Å; T275-L277 VanDerWaalsContact C-N 3.34Å; L277-E279 PolarHBondContact O-N 3.38Å; L277-L280 HydrophobicContact CB-CD1 4.36Å; L277-L280 HydrophobicContact CB-CG 4.1Å; L277-L280 PolarHBondContact O-N 2.94Å; L277-I310 HydrophobicContact CD1-CG2 3.8Å
278	K	88.4	Confident	85.5	Confident	155 Å²	155	73.5 Å²	73.5	67%	0.674	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-65.1	-31.6	-179.3	-66.2	-178.6	-179.2	179.1	0	111.5	L280 Q281	K278-L280 PolarHBondContact O-N 3.34Å; K278-Q281 WeakPolarHBondContact O-CB 3.44Å; K278-Q281 VanDerWaalsContact O-CG 3.31Å; K278-Q281 WeakPolarHBondContact O-CG 3.43Å; K278-Q281 PolarHBondContact O-N 2.86Å
279	E	89.7	Confident	86.8	Confident	40 Å²	40	63 Å²	63	19%	0.187	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-58.8	-30.4	178.1	-62.8	78.4	-174.6	0	0	111.8	L198 L277 Q281 L282 I310 Q312	L198-E279 HydrophobicContact CD1-CB 4.24Å; L277-E279 PolarHBondContact O-N 3.38Å; E279-Q281 PolarHBondContact O-N 3.25Å; E279-L282 WeakPolarHBondContact O-CB 3.22Å; E279-L282 WeakPolarHBondContact O-CG 3.48Å; E279-L282 PolarHBondContact O-N 3.44Å; E279-I310 HydrophobicContact CB-CD1 4.11Å; E279-I310 HydrophobicContact CB-CG1 4.09Å; E279-I310 HydrophobicContact CG-CG1 4.24Å; E279-Q312 HydrophobicContact CG-CB 4.27Å
280	L	89.2	Confident	88	Confident	20 Å²	20	60.7 Å²	60.7	11%	0.105	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-77.7	-7.3	178.2	-59.7	-173.6	0	0	0	113.8	L257 L260 A274 L277 K278 L282 Q283 I310	L257-L280 HydrophobicContact CD2-CD1 3.62Å; L260-L280 HydrophobicContact CD1-CD1 3.99Å; L260-L280 HydrophobicContact CD1-CD2 3.6Å; L260-L280 HydrophobicContact CD1-CG 4.4Å; A274-L280 HydrophobicContact CB-CD1 4.27Å; A274-L280 WeakPolarHBondContact O-CD1 3.46Å; L277-L280 HydrophobicContact CB-CD1 4.36Å; L277-L280 HydrophobicContact CB-CG 4.1Å; L277-L280 PolarHBondContact O-N 2.94Å; K278-L280 PolarHBondContact O-N 3.34Å; L280-L282 PolarHBondContact O-N 3.33Å; L280-Q283 PolarHBondContact O-NE2 3.2Å; L280-I310 HydrophobicContact CD2-CD1 4.19Å
281	Q	90.3	Very high	88.7	Confident	147 Å²	147	58 Å²	58	69%	0.687	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-66.1	-21.8	169	-61.2	179.7	-3	0	0	111.3	K278 E279 Q283	K278-Q281 WeakPolarHBondContact O-CB 3.44Å; K278-Q281 VanDerWaalsContact O-CG 3.31Å; K278-Q281 WeakPolarHBondContact O-CG 3.43Å; K278-Q281 PolarHBondContact O-N 2.86Å; E279-Q281 PolarHBondContact O-N 3.25Å; Q281-Q283 PolarHBondContact O-N 3.17Å
282	L	92.4	Very high	89.5	Confident	24 Å²	24	51 Å²	51	13%	0.126	27%	0.269	C	S	.	.			trans	-76.9	84.1	171.8	-54.4	179.6	0	0	0	109.8	L198 E200 E279 L280 A285 S286 Q312	L198-L282 HydrophobicContact CB-CD1 4.02Å; E200-L282 HydrophobicContact CB-CD2 4.09Å; E200-L282 HydrophobicContact CG-CB 3.89Å; E200-L282 HydrophobicContact CG-CD2 4.14Å; E200-L282 HydrophobicContact CG-CG 4.46Å; E200-L282 WeakPolarHBondContact OE1-CA 3.3Å; E279-L282 WeakPolarHBondContact O-CB 3.22Å; E279-L282 WeakPolarHBondContact O-CG 3.48Å; E279-L282 PolarHBondContact O-N 3.44Å; L280-L282 PolarHBondContact O-N 3.33Å; L282-A285 HydrophobicContact CB-CB 3.94Å; L282-A285 PolarHBondContact O-N 2.65Å; L282-S286 VanDerWaalsContact O-CB 3.22Å; L282-S286 WeakPolarHBondContact O-CB 3.24Å; L282-S286 PolarHBondContact O-N 3.06Å; L282-S286 PolarHBondContact O-OG 2.95Å; L282-Q312 HydrophobicContact CD1-CG 4.07Å
283	Q	91.9	Very high	90.1	Very high	121 Å²	121	43.4 Å²	43.4	57%	0.565	23%	0.233	S	C	*	.	H	α-helix	trans	-64.3	-43.8	-172.2	-65.6	-62.9	-49.6	0	0	114.6	E200 L280 Q281 N287	E200-Q283 PolarHBondContact OE1-N 2.94Å; L280-Q283 PolarHBondContact O-NE2 3.2Å; Q281-Q283 PolarHBondContact O-N 3.17Å; Q283-N287 WeakPolarHBondContact O-CB 3.48Å; Q283-N287 VanDerWaalsContact O-CG 3.31Å; Q283-N287 PolarHBondContact O-N 3.25Å; Q283-N287 VanDerWaalsContact O-N 3.07Å; Q283-N287 PolarHBondContact O-ND2 3.35Å
284	L	93.3	Very high	90.4	Very high	26 Å²	26	45.7 Å²	45.7	14%	0.136	24%	0.241	C	C	.	.	H	α-helix	trans	-65.5	-46.2	175.3	-66.7	172.7	0	0	0	111.1	K175 R183 E200 S286 N287 A288	K175-L284 HydrophobicContact CB-CD1 3.9Å; K175-L284 HydrophobicContact CB-CD2 3.94Å; K175-L284 HydrophobicContact CD-CD2 4.21Å; R183-L284 HydrophobicContact CB-CD1 4Å; R183-L284 HydrophobicContact CG-CD1 3.68Å; E200-L284 HydrophobicContact CG-CB 4.41Å; E200-L284 VanDerWaalsContact OE1-CA 3.28Å; E200-L284 WeakPolarHBondContact OE1-CA 3.45Å; E200-L284 VanDerWaalsContact OE1-CB 3.31Å; E200-L284 WeakPolarHBondContact OE1-CB 3.47Å; E200-L284 PolarHBondContact OE1-N 2.92Å; L284-S286 VanDerWaalsContact C-N 3.34Å; L284-S286 PolarHBondContact O-N 3.06Å; L284-N287 PolarHBondContact O-N 2.9Å; L284-A288 PolarHBondContact O-N 3.18Å
285	A	94.8	Very high	90.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-39.8	178.2	0	0	0	0	0	111.7	L198 L199 E200 L282 N287 A288 L289	L198-A285 HydrophobicContact CB-CB 4.08Å; L198-A285 HydrophobicContact CD2-CB 4.24Å; L199-A285 WeakPolarHBondContact O-CB 3.45Å; E200-A285 HydrophobicContact CG-CB 3.81Å; E200-A285 PolarHBondContact OE1-N 3.22Å; L282-A285 HydrophobicContact CB-CB 3.94Å; L282-A285 PolarHBondContact O-N 2.65Å; A285-N287 VanDerWaalsContact C-N 3.35Å; A285-N287 PolarHBondContact O-N 3.34Å; A285-A288 WeakPolarHBondContact O-CB 3.48Å; A285-A288 PolarHBondContact O-N 2.96Å; A285-L289 PolarHBondContact O-N 3.15Å
286	S	93.6	Very high	90.7	Very high	6 Å²	6	45.2 Å²	45.2	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-41.4	175.2	-62.9	0	0	0	0	112	L256 L282 L284 A288 L289 K290	L256-S286 VanDerWaalsContact CD2-O 3.26Å; L256-S286 WeakPolarHBondContact CD2-O 3.4Å; L282-S286 VanDerWaalsContact O-CB 3.22Å; L282-S286 WeakPolarHBondContact O-CB 3.24Å; L282-S286 PolarHBondContact O-N 3.06Å; L282-S286 PolarHBondContact O-OG 2.95Å; L284-S286 VanDerWaalsContact C-N 3.34Å; L284-S286 PolarHBondContact O-N 3.06Å; S286-A288 VanDerWaalsContact C-N 3.35Å; S286-L289 WeakPolarHBondContact O-CB 3.37Å; S286-L289 PolarHBondContact O-N 3.49Å; S286-K290 PolarHBondContact O-N 3.48Å
287	N	92	Very high	90.9	Very high	78 Å²	78	46.1 Å²	46.1	42%	0.417	22%	0.22	S	C	.	.	H	α-helix	trans	-67.3	-34.5	175	-75.7	-46.1	0	0	0	112.7	L173 Q283 L284 A285 K290 T291	L173-N287 HydrophobicContact CD1-CB 3.53Å; Q283-N287 WeakPolarHBondContact O-CB 3.48Å; Q283-N287 VanDerWaalsContact O-CG 3.31Å; Q283-N287 PolarHBondContact O-N 3.25Å; Q283-N287 VanDerWaalsContact O-N 3.07Å; Q283-N287 PolarHBondContact O-ND2 3.35Å; L284-N287 PolarHBondContact O-N 2.9Å; A285-N287 VanDerWaalsContact C-N 3.35Å; A285-N287 PolarHBondContact O-N 3.34Å; N287-K290 WeakPolarHBondContact O-CB 3.33Å; N287-T291 PolarHBondContact O-N 3.45Å; N287-T291 PolarHBondContact O-OG1 3.06Å
288	A	93.8	Very high	91	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-43	170.9	0	0	0	0	0	110.9	S171 L173 A187 L284 A285 S286 K290 T291 A292	S171-A288 VanDerWaalsContact CB-O 3.25Å; S171-A288 WeakPolarHBondContact CB-O 3.49Å; S171-A288 WeakPolarHBondContact O-CB 3.39Å; S171-A288 PolarHBondContact OG-O 3.13Å; S171-A288 VanDerWaalsContact OG-O 3.11Å; L173-A288 HydrophobicContact CD1-CB 4.31Å; L173-A288 HydrophobicContact CG-CB 4.12Å; A187-A288 HydrophobicContact CB-CB 3.99Å; L284-A288 PolarHBondContact O-N 3.18Å; A285-A288 WeakPolarHBondContact O-CB 3.48Å; A285-A288 PolarHBondContact O-N 2.96Å; S286-A288 VanDerWaalsContact C-N 3.35Å; A288-K290 VanDerWaalsContact C-N 3.35Å; A288-K290 PolarHBondContact O-N 3.28Å; A288-T291 WeakPolarHBondContact O-CB 3.38Å; A288-T291 PolarHBondContact O-N 3.14Å; A288-A292 PolarHBondContact O-N 3.46Å
289	L	94.6	Very high	91.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.9	-42.9	176.9	-178.4	61.5	0	0	0	112.2	A187 V189 F196 L198 L260 A285 S286 T291 A292 I293 I310	A187-L289 VanDerWaalsContact CB-CA 3.49Å; A187-L289 HydrophobicContact CB-CB 3.66Å; A187-L289 HydrophobicContact CB-CD1 4.23Å; A187-L289 VanDerWaalsContact CB-N 3.32Å; V189-L289 HydrophobicContact CG2-CD1 3.91Å; F196-L289 HydrophobicContact CB-CD1 4.17Å; F196-L289 HydrophobicContact CB-CD2 4.28Å; F196-L289 HydrophobicContact CD1-CD1 3.68Å; F196-L289 HydrophobicContact CD2-CD2 4.35Å; F196-L289 HydrophobicContact CE1-CD1 4.17Å; F196-L289 HydrophobicContact CG-CD1 3.89Å; F196-L289 HydrophobicContact CG-CD2 4.26Å; L198-L289 HydrophobicContact CD1-CD2 4.46Å; L198-L289 HydrophobicContact CD2-CB 3.93Å; L198-L289 HydrophobicContact CD2-CD2 4.05Å; L198-L289 HydrophobicContact CD2-CG 4.4Å; L260-L289 HydrophobicContact CD2-CD2 4.03Å; A285-L289 PolarHBondContact O-N 3.15Å; S286-L289 WeakPolarHBondContact O-CB 3.37Å; S286-L289 PolarHBondContact O-N 3.49Å; L289-T291 PolarHBondContact O-N 3.33Å; L289-A292 PolarHBondContact O-N 3.41Å; L289-A292 VanDerWaalsContact O-N 3.07Å; L289-I293 HydrophobicContact CD1-CD1 4.15Å; L289-I293 HydrophobicContact CD1-CG1 4.09Å; L289-I293 HydrophobicContact CD2-CD1 4.27Å; L289-I293 HydrophobicContact CG-CD1 3.8Å; L289-I293 HydrophobicContact CG-CG1 4.2Å; L289-I293 WeakPolarHBondContact O-CG1 3.36Å; L289-I293 PolarHBondContact O-N 3.47Å; L289-I310 HydrophobicContact CD2-CD1 4.18Å
290	K	92.8	Very high	90.9	Very high	40 Å²	40	42.1 Å²	42.1	17%	0.174	21%	0.208	C	C	.	.	H	α-helix	trans	-52.1	-43	173.7	-177.5	-177.1	179.8	171.3	0	111.8	N254 L256 S286 N287 A288 K294	N254-K290 WeakPolarHBondContact O-CE 3.38Å; N254-K290 PolarHBondContact O-NZ 2.98Å; L256-K290 HydrophobicContact CB-CB 4.4Å; L256-K290 HydrophobicContact CB-CG 4.46Å; L256-K290 HydrophobicContact CD1-CB 4.04Å; S286-K290 PolarHBondContact O-N 3.48Å; N287-K290 WeakPolarHBondContact O-CB 3.33Å; A288-K290 VanDerWaalsContact C-N 3.35Å; A288-K290 PolarHBondContact O-N 3.28Å; K290-K294 PolarHBondContact O-N 3.23Å
291	T	91.8	Very high	90.4	Very high	33 Å²	33	43.5 Å²	43.5	20%	0.202	22%	0.215	C	C	.	.	H	α-helix	trans	-66.8	-43.6	178.6	-56.1	0	0	0	0	111.2	L223 P248 N287 A288 L289 K294 Y295	L223-T291 HydrophobicContact CD1-CG2 4.46Å; P248-T291 HydrophobicContact CB-CG2 4.33Å; P248-T291 HydrophobicContact CG-CG2 3.5Å; P248-T291 VanDerWaalsContact CG-CG2 3.5Å; N287-T291 PolarHBondContact O-N 3.45Å; N287-T291 PolarHBondContact O-OG1 3.06Å; A288-T291 WeakPolarHBondContact O-CB 3.38Å; A288-T291 PolarHBondContact O-N 3.14Å; L289-T291 PolarHBondContact O-N 3.33Å; T291-K294 PolarHBondContact O-N 3.25Å; T291-Y295 WeakPolarHBondContact O-CB 3.48Å; T291-Y295 PolarHBondContact O-N 3.28Å
292	A	92.4	Very high	89.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.1	-46.8	177.9	0	0	0	0	0	113.1	V189 L223 A288 L289 K294 Y295 L296	V189-A292 HydrophobicContact CG2-CB 3.68Å; L223-A292 HydrophobicContact CD1-CB 4.23Å; A288-A292 PolarHBondContact O-N 3.46Å; L289-A292 PolarHBondContact O-N 3.41Å; L289-A292 VanDerWaalsContact O-N 3.07Å; A292-K294 VanDerWaalsContact C-N 3.27Å; A292-K294 PolarHBondContact O-N 2.9Å; A292-Y295 PolarHBondContact O-N 2.82Å; A292-L296 WeakPolarHBondContact O-CB 3.29Å; A292-L296 WeakPolarHBondContact O-CG 3.12Å; A292-L296 PolarHBondContact O-N 3.2Å
293	I	92.1	Very high	88.9	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-55.8	-44.8	178.6	-72	171.5	0	0	0	110.6	F196 L256 D259 L260 L263 L289 D297 L298 V299	F196-I293 HydrophobicContact CE1-CG1 4.38Å; F196-I293 HydrophobicContact CZ-CD1 4.33Å; F196-I293 HydrophobicContact CZ-CG1 4.21Å; L256-I293 HydrophobicContact CD1-CD1 3.91Å; D259-I293 HydrophobicContact CB-CG2 4.37Å; L260-I293 HydrophobicContact CD2-CD1 4.06Å; L263-I293 HydrophobicContact CD1-CD1 4.04Å; L263-I293 HydrophobicContact CD1-CG1 4.24Å; L263-I293 HydrophobicContact CD1-CG2 3.79Å; L289-I293 HydrophobicContact CD1-CD1 4.15Å; L289-I293 HydrophobicContact CD1-CG1 4.09Å; L289-I293 HydrophobicContact CD2-CD1 4.27Å; L289-I293 HydrophobicContact CG-CD1 3.8Å; L289-I293 HydrophobicContact CG-CG1 4.2Å; L289-I293 WeakPolarHBondContact O-CG1 3.36Å; L289-I293 PolarHBondContact O-N 3.47Å; I293-D297 PolarHBondContact O-N 2.96Å; I293-D297 VanDerWaalsContact O-N 3.11Å; I293-L298 HydrophobicContact CG1-CD1 4.3Å; I293-L298 HydrophobicContact CG2-CB 4.44Å; I293-L298 PolarHBondContact O-N 3.33Å; I293-L298 VanDerWaalsContact O-N 3.14Å; I293-V299 HydrophobicContact CG2-CG2 3.91Å
294	K	88.9	Confident	88.5	Confident	91 Å²	91	34 Å²	34	40%	0.396	19%	0.185	S	C	.	.	H	α-helix	trans	-71.7	-40.5	179.7	-173.4	170.9	-179.8	155.4	0	112.9	S251 K290 T291 A292 L296 D297	S251-K294 VanDerWaalsContact CB-CD 3.42Å; S251-K294 VanDerWaalsContact CB-NZ 3.31Å; K290-K294 PolarHBondContact O-N 3.23Å; T291-K294 PolarHBondContact O-N 3.25Å; A292-K294 VanDerWaalsContact C-N 3.27Å; A292-K294 PolarHBondContact O-N 2.9Å; K294-L296 VanDerWaalsContact C-N 3.31Å; K294-L296 PolarHBondContact O-N 2.97Å; K294-D297 PolarHBondContact O-N 3.28Å
295	Y	88.2	Confident	88.1	Confident	64 Å²	64	35.4 Å²	35.4	25%	0.251	19%	0.193	S	C	.	.	H	α-helix	trans	-61.3	-42.2	177.9	175.4	-103.7	0	0	0	112	I169 E221 L223 T246 P248 T291 A292 D297	I169-Y295 HydrophobicContact CD1-CD1 3.68Å; I169-Y295 HydrophobicContact CD1-CE1 3.54Å; E221-Y295 PolarHBondContact OE1-OH 3.47Å; L223-Y295 HydrophobicContact CD1-CD1 3.76Å; L223-Y295 HydrophobicContact CD1-CG 3.71Å; L223-Y295 HydrophobicContact CD2-CD1 3.73Å; L223-Y295 HydrophobicContact CD2-CD2 4.19Å; L223-Y295 HydrophobicContact CD2-CE1 3.82Å; L223-Y295 HydrophobicContact CD2-CE2 4.3Å; L223-Y295 HydrophobicContact CD2-CG 3.9Å; L223-Y295 HydrophobicContact CG-CD1 4.32Å; L223-Y295 HydrophobicContact CG-CG 4.47Å; T246-Y295 HydrophobicContact CG2-CE2 3.7Å; P248-Y295 HydrophobicContact CB-CD2 4.4Å; T291-Y295 WeakPolarHBondContact O-CB 3.48Å; T291-Y295 PolarHBondContact O-N 3.28Å; A292-Y295 PolarHBondContact O-N 2.82Å; Y295-D297 PolarHBondContact O-N 3Å
296	L	87.1	Confident	87.6	Confident	12 Å²	12	36.9 Å²	36.9	6%	0.063	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-5.6	177.8	-65.6	179.1	0	0	0	113.6	N149 I169 V189 Q191 A292 K294 L298	N149-L296 HydrophobicContact CB-CD2 4.03Å; I169-L296 HydrophobicContact CD1-CD2 4.29Å; I169-L296 HydrophobicContact CG2-CD1 3.78Å; I169-L296 HydrophobicContact CG2-CD2 4.25Å; I169-L296 HydrophobicContact CG2-CG 4.3Å; V189-L296 HydrophobicContact CB-CD1 4.02Å; V189-L296 HydrophobicContact CG1-CD1 3.64Å; V189-L296 HydrophobicContact CG2-CD1 4.46Å; Q191-L296 HydrophobicContact CG-CD1 3.99Å; A292-L296 WeakPolarHBondContact O-CB 3.29Å; A292-L296 WeakPolarHBondContact O-CG 3.12Å; A292-L296 PolarHBondContact O-N 3.2Å; K294-L296 VanDerWaalsContact C-N 3.31Å; K294-L296 PolarHBondContact O-N 2.97Å; L296-L298 HydrophobicContact CB-CD2 3.62Å; L296-L298 HydrophobicContact CB-CG 3.75Å; L296-L298 HydrophobicContact CD1-CD1 4.3Å; L296-L298 HydrophobicContact CD1-CD2 4.09Å; L296-L298 HydrophobicContact CD1-CG 4.33Å; L296-L298 PolarHBondContact O-N 3.27Å
297	D	86.8	Confident	87.1	Confident	85 Å²	85	38.7 Å²	38.7	46%	0.455	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	36.7	-178	-155	33.7	0	0	0	114.1	I293 K294 Y295 V299 N300	I293-D297 PolarHBondContact O-N 2.96Å; I293-D297 VanDerWaalsContact O-N 3.11Å; K294-D297 PolarHBondContact O-N 3.28Å; Y295-D297 PolarHBondContact O-N 3Å; D297-V299 VanDerWaalsContact C-N 3.25Å; D297-V299 PolarHBondContact O-N 3.14Å; D297-V299 VanDerWaalsContact O-N 3.17Å; D297-N300 VanDerWaalsContact CG-ND2 3.29Å; D297-N300 PolarHBondContact O-N 3.18Å; D297-N300 PolarHBondContact OD1-ND2 3.49Å; D297-N300 WeakPolarHBondContact OD2-CB 3.49Å; D297-N300 PolarHBondContact OD2-ND2 3.49Å; D297-N300 VanDerWaalsContact OD2-ND2 3.17Å
298	L	87.9	Confident	87	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-33.4	-167.8	-61.7	-177.3	0	0	0	113.3	V189 F196 L263 I293 L296 N300 N304 Y308	V189-L298 HydrophobicContact CG1-CD1 4.24Å; F196-L298 HydrophobicContact CE1-CD1 3.78Å; F196-L298 HydrophobicContact CZ-CD1 3.88Å; L263-L298 HydrophobicContact CD1-CB 4.23Å; L263-L298 HydrophobicContact CD2-CB 3.94Å; I293-L298 HydrophobicContact CG1-CD1 4.3Å; I293-L298 HydrophobicContact CG2-CB 4.44Å; I293-L298 PolarHBondContact O-N 3.33Å; I293-L298 VanDerWaalsContact O-N 3.14Å; L296-L298 HydrophobicContact CB-CD2 3.62Å; L296-L298 HydrophobicContact CB-CG 3.75Å; L296-L298 HydrophobicContact CD1-CD1 4.3Å; L296-L298 HydrophobicContact CD1-CD2 4.09Å; L296-L298 HydrophobicContact CD1-CG 4.33Å; L296-L298 PolarHBondContact O-N 3.27Å; L298-N300 VanDerWaalsContact C-N 3.33Å; L298-N300 PolarHBondContact O-N 3.39Å; L298-N304 VanDerWaalsContact O-CB 3.29Å; L298-N304 WeakPolarHBondContact O-CB 3.33Å; L298-N304 PolarHBondContact O-ND2 2.93Å; L298-N304 VanDerWaalsContact O-ND2 3.12Å; L298-Y308 HydrophobicContact CD1-CE1 4.19Å
299	V	88.7	Confident	86.8	Confident	15 Å²	15	38.1 Å²	38.1	9%	0.091	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-24.7	-174	179.2	0	0	0	0	112.5	D259 R262 L263 I293 D297	D259-V299 HydrophobicContact CB-CG2 3.91Å; R262-V299 PolarHBondContact NH2-O 3.04Å; L263-V299 HydrophobicContact CD1-CG2 3.85Å; L263-V299 HydrophobicContact CD2-CG2 4.39Å; L263-V299 HydrophobicContact CG-CG2 4.16Å; I293-V299 HydrophobicContact CG2-CG2 3.91Å; D297-V299 VanDerWaalsContact C-N 3.25Å; D297-V299 PolarHBondContact O-N 3.14Å; D297-V299 VanDerWaalsContact O-N 3.17Å
300	N	85.4	Confident	86.7	Confident	120 Å²	120	38.9 Å²	38.9	64%	0.642	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-18.2	-179.1	-72.8	-22.6	0	0	0	112.7	D297 L298	D297-N300 VanDerWaalsContact CG-ND2 3.29Å; D297-N300 PolarHBondContact O-N 3.18Å; D297-N300 PolarHBondContact OD1-ND2 3.49Å; D297-N300 WeakPolarHBondContact OD2-CB 3.49Å; D297-N300 PolarHBondContact OD2-ND2 3.49Å; D297-N300 VanDerWaalsContact OD2-ND2 3.17Å; L298-N300 VanDerWaalsContact C-N 3.33Å; L298-N300 PolarHBondContact O-N 3.39Å
301	D	79.8	Confident	86.7	Confident	49 Å²	49	41.5 Å²	41.5	26%	0.262	23%	0.226	S	C	.	.			trans	-89.2	111.7	172	-178.8	-2.2	0	0	0	110.2	G303 N304	D301-G303 PolarHBondContact O-N 3.02Å; D301-G303 VanDerWaalsContact O-N 3.1Å; D301-G303 PolarHBondContact OD1-N 3.39Å; D301-N304 WeakPolarHBondContact CB-ND2 3.26Å; D301-N304 WeakPolarHBondContact O-CB 3.36Å; D301-N304 PolarHBondContact O-N 3.47Å
302	A	76.7	Confident	86.7	Confident	76 Å²	76	45.3 Å²	45.3	63%	0.628	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-57.2	-25.8	179.3	0	0	0	0	0	113.3	N304 L305	A302-N304 PolarHBondContact O-N 2.93Å; A302-L305 PolarHBondContact O-N 3.35Å
303	G	74.6	Confident	86.6	Confident	7 Å²	7	46.4 Å²	46.4	7%	0.072	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-71.3	-8.6	178	0	0	0	0	0	114.8	D301 H307	D301-G303 PolarHBondContact O-N 3.02Å; D301-G303 VanDerWaalsContact O-N 3.1Å; D301-G303 PolarHBondContact OD1-N 3.39Å; G303-H307 PolarHBondContact O-CD2 2.97Å; G303-H307 VanDerWaalsContact O-CD2 3.31Å
304	N	83.1	Confident	86.4	Confident	10 Å²	10	49.8 Å²	49.8	5%	0.053	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-97	-16.5	178.3	-73.7	-41.5	0	0	0	113.8	L263 L298 D301 A302 Y308	L263-N304 HydrophobicContact CD2-CB 3.97Å; L298-N304 VanDerWaalsContact O-CB 3.29Å; L298-N304 WeakPolarHBondContact O-CB 3.33Å; L298-N304 PolarHBondContact O-ND2 2.93Å; L298-N304 VanDerWaalsContact O-ND2 3.12Å; D301-N304 WeakPolarHBondContact CB-ND2 3.26Å; D301-N304 WeakPolarHBondContact O-CB 3.36Å; D301-N304 PolarHBondContact O-N 3.47Å; A302-N304 PolarHBondContact O-N 2.93Å; N304-Y308 HydrophobicContact CB-CE2 3.75Å; N304-Y308 WeakPolarHBondContact O-CD2 3.38Å; N304-Y308 PolarHBondContact OD1-OH 3.46Å; N304-Y308 VanDerWaalsContact OD1-OH 3.13Å
305	L	85.7	Confident	86.3	Confident	56 Å²	56	47 Å²	47	29%	0.293	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	131.1	-169.5	-55.7	179.8	0	0	0	111.4	R262 L263 A302 H307	R262-L305 HydrophobicContact CB-CD2 4.2Å; R262-L305 CarbonylContact O-C 3.55Å; R262-L305 VanDerWaalsContact O-CA 3.29Å; R262-L305 WeakPolarHBondContact O-CA 3.42Å; L263-L305 HydrophobicContact CD2-CD2 4.28Å; A302-L305 PolarHBondContact O-N 3.35Å; L305-H307 VanDerWaalsContact C-N 3.35Å; L305-H307 PolarHBondContact O-CD2 2.82Å; L305-H307 PolarHBondContact O-N 3.42Å; L305-H307 PolarHBondContact O-NE2 3.22Å
306	G	84.4	Confident	86.2	Confident	31 Å²	31	49.5 Å²	49.5	32%	0.32	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	24.1	176.8	0	0	0	0	0	115.3	R262 L263 R265	R262-G306 PolarHBondContact O-N 2.82Å; L263-G306 CarbonylContact O-C 3.5Å; L263-G306 PolarHBondContact O-N 3.17Å; R265-G306 VanDerWaalsContact CB-O 3.31Å; R265-G306 WeakPolarHBondContact CB-O 3.33Å
307	H	82.8	Confident	86.5	Confident	43 Å²	43	56.1 Å²	56.1	20%	0.199	30%	0.296	C	S	.	.			trans	-125.9	-19.6	-170	-67	-49.2	0	0	0	115	C194 L263 G303 L305 M418	C194-H307 WeakPolarHBondContact CB-O 3.29Å; L263-H307 PolarHBondContact O-N 3.24Å; G303-H307 PolarHBondContact O-CD2 2.97Å; G303-H307 VanDerWaalsContact O-CD2 3.31Å; L305-H307 VanDerWaalsContact C-N 3.35Å; L305-H307 PolarHBondContact O-CD2 2.82Å; L305-H307 PolarHBondContact O-N 3.42Å; L305-H307 PolarHBondContact O-NE2 3.22Å; H307-M418 HydrophobicContact CB-CE 3.41Å; H307-M418 VanDerWaalsContact CB-CE 3.41Å; H307-M418 WeakPolarHBondContact CD2-CE 3.47Å
308	Y	88.9	Confident	86.8	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-80	145.4	-177.4	-75.8	-104.6	0	0	0	112.4	V189 C194 F196 L263 L264 R265 L298 N304	V189-Y308 HydrophobicContact CG1-CE1 4.34Å; C194-Y308 VanDerWaalsContact C-CD1 3.41Å; C194-Y308 HydrophobicContact CB-CD1 4.1Å; C194-Y308 HydrophobicContact CB-CD2 4.27Å; C194-Y308 HydrophobicContact CB-CE1 4.25Å; C194-Y308 HydrophobicContact CB-CE2 4.38Å; C194-Y308 HydrophobicContact CB-CG 4.11Å; C194-Y308 CarbonylContact O-C 3.6Å; C194-Y308 WeakPolarHBondContact O-CA 3.26Å; F196-Y308 AromaticContact CD1-CD1 3.87Å; F196-Y308 HydrophobicContact CD1-CD1 3.87Å; F196-Y308 HydrophobicContact CD1-CE1 4.34Å; F196-Y308 HydrophobicContact CD2-CD1 4.24Å; F196-Y308 HydrophobicContact CD2-CG 4.45Å; F196-Y308 AromaticContact CE1-CD1 3.33Å; F196-Y308 HydrophobicContact CE1-CD1 3.33Å; F196-Y308 AromaticContact CE1-CE1 3.6Å; F196-Y308 HydrophobicContact CE1-CE1 3.6Å; F196-Y308 HydrophobicContact CE1-CG 4.12Å; F196-Y308 AromaticContact CE2-CD1 3.74Å; F196-Y308 HydrophobicContact CE2-CD1 3.74Å; F196-Y308 AromaticContact CE2-CG 3.73Å; F196-Y308 HydrophobicContact CE2-CG 3.73Å; F196-Y308 HydrophobicContact CG-CD1 4.3Å; F196-Y308 AromaticContact CZ-CD1 3.25Å; F196-Y308 HydrophobicContact CZ-CD1 3.25Å; F196-Y308 HydrophobicContact CZ-CD2 4.28Å; F196-Y308 AromaticContact CZ-CE1 3.79Å; F196-Y308 HydrophobicContact CZ-CE1 3.79Å; F196-Y308 AromaticContact CZ-CG 3.54Å; F196-Y308 HydrophobicContact CZ-CG 3.54Å; L263-Y308 HydrophobicContact CB-CD2 4.44Å; L263-Y308 HydrophobicContact CD2-CD2 4.4Å; L263-Y308 PolarHBondContact O-N 2.78Å; L264-Y308 CarbonylContact C-O 3.52Å; L264-Y308 WeakPolarHBondContact CA-O 3.35Å; R265-Y308 PolarHBondContact N-O 3.04Å; L298-Y308 HydrophobicContact CD1-CE1 4.19Å; N304-Y308 HydrophobicContact CB-CE2 3.75Å; N304-Y308 WeakPolarHBondContact O-CD2 3.38Å; N304-Y308 PolarHBondContact OD1-OH 3.46Å; N304-Y308 VanDerWaalsContact OD1-OH 3.13Å
309	E	90.3	Very high	87.1	Confident	67 Å²	67	53.5 Å²	53.5	31%	0.313	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.7	167.5	-171.9	-178.5	-158.8	0	0	109.1	C194 K195 F196 K311	C194-E309 PolarHBondContact O-N 3.17Å; K195-E309 CarbonylContact C-O 3.5Å; K195-E309 WeakPolarHBondContact CA-O 3.37Å; F196-E309 PolarHBondContact N-O 2.87Å; E309-K311 HydrophobicContact CG-CG 4.37Å; E309-K311 WeakPolarHBondContact OE1-CE 3.47Å; E309-K311 IonicContact OE1-NZ 3.93Å; E309-K311 PolarHBondContact OE1-NZ 2.85Å; E309-K311 WeakPolarHBondContact OE2-CE 3.49Å; E309-K311 IonicContact OE2-NZ 2.96Å; E309-K311 PolarHBondContact OE2-NZ 3.43Å
310	I	92.4	Very high	87.3	Confident	16 Å²	16	54.2 Å²	54.2	8%	0.082	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	134.8	175.5	-173	169.1	0	0	0	109.8	F196 L198 L264 L277 E279 L280 L289	F196-I310 HydrophobicContact CB-CB 4.23Å; F196-I310 HydrophobicContact CB-CG1 4.06Å; F196-I310 CarbonylContact O-C 3.48Å; F196-I310 WeakPolarHBondContact O-CA 3.32Å; L198-I310 HydrophobicContact CD1-CD1 3.91Å; L198-I310 HydrophobicContact CD1-CG1 4.47Å; L198-I310 HydrophobicContact CG-CD1 4.38Å; L198-I310 HydrophobicContact CG-CG1 4.49Å; L264-I310 HydrophobicContact CD1-CG2 3.94Å; L264-I310 HydrophobicContact CD2-CB 3.89Å; L264-I310 HydrophobicContact CD2-CG2 3.86Å; L277-I310 HydrophobicContact CD1-CG2 3.8Å; E279-I310 HydrophobicContact CB-CD1 4.11Å; E279-I310 HydrophobicContact CB-CG1 4.09Å; E279-I310 HydrophobicContact CG-CG1 4.24Å; L280-I310 HydrophobicContact CD2-CD1 4.19Å; L289-I310 HydrophobicContact CD2-CD1 4.18Å
311	K	92.3	Very high	87.5	Confident	94 Å²	94	48.9 Å²	48.9	41%	0.409	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	148.6	-179.7	-70.8	-177.3	164.8	145.7	0	110.9	F196 Q197 L198 E309	F196-K311 PolarHBondContact O-N 3.25Å; Q197-K311 CarbonylContact C-O 3.6Å; Q197-K311 VanDerWaalsContact CA-O 3.29Å; Q197-K311 WeakPolarHBondContact CA-O 3.33Å; L198-K311 PolarHBondContact N-O 3.02Å; E309-K311 HydrophobicContact CG-CG 4.37Å; E309-K311 WeakPolarHBondContact OE1-CE 3.47Å; E309-K311 IonicContact OE1-NZ 3.93Å; E309-K311 PolarHBondContact OE1-NZ 2.85Å; E309-K311 WeakPolarHBondContact OE2-CE 3.49Å; E309-K311 IonicContact OE2-NZ 2.96Å; E309-K311 PolarHBondContact OE2-NZ 3.43Å
312	Q	93.3	Very high	87.6	Confident	113 Å²	113	47.5 Å²	47.5	53%	0.528	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	130.7	163	-174.7	173.5	-1	0	0	109.6	L198 E279 L282	L198-Q312 WeakPolarHBondContact O-CA 3.47Å; E279-Q312 HydrophobicContact CG-CB 4.27Å; L282-Q312 HydrophobicContact CD1-CG 4.07Å
313	L	89.7	Confident	87.8	Confident	23 Å²	23	45.1 Å²	45.1	12%	0.12	23%	0.227	C	C	.	.			trans	-85.2	124.5	173.2	-176.8	66.8	0	0	0	109.4	Q197 L198 L199 L216 L217 L315 F318	Q197-L313 HydrophobicContact CB-CB 4.42Å; L198-L313 PolarHBondContact O-N 3.11Å; L199-L313 HydrophobicContact CB-CB 4.44Å; L199-L313 HydrophobicContact CD2-CD2 4.19Å; L216-L313 HydrophobicContact CD2-CD2 4.2Å; L217-L313 HydrophobicContact CD2-CD2 3.96Å; L217-L313 HydrophobicContact CG-CD2 4.41Å; L313-L315 HydrophobicContact CD2-CD2 4.09Å; L313-L315 HydrophobicContact CG-CD2 4.39Å; L313-F318 HydrophobicContact CD1-CE2 4.29Å
314	D	87.8	Confident	88.2	Confident	73 Å²	73	45.8 Å²	45.8	39%	0.39	23%	0.231	S	C	.	.			trans	-106.6	107.9	174.4	178.5	17.2	0	0	0	109.7	N316 R317	D314-N316 PolarHBondContact O-N 3.38Å; D314-N316 WeakPolarHBondContact OD1-CB 3.11Å; D314-N316 PolarHBondContact OD1-N 3.19Å; D314-N316 VanDerWaalsContact OD1-N 3.1Å; D314-N316 PolarHBondContact OD1-ND2 3.33Å; D314-R317 HydrophobicContact CB-CG 4.03Å; D314-R317 PolarHBondContact O-N 2.8Å; D314-R317 WeakPolarHBondContact OD2-CG 3.35Å
315	L	85.9	Confident	88.4	Confident	34 Å²	34	45.4 Å²	45.4	18%	0.178	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-64.7	-28	-179.2	-61.3	177.1	0	0	0	111.8	L199 L216 L313 R317 F318	L199-L315 HydrophobicContact CD1-CD1 4.15Å; L199-L315 HydrophobicContact CD1-CD2 4.36Å; L199-L315 HydrophobicContact CD1-CG 4.37Å; L216-L315 HydrophobicContact CD1-CD2 4.13Å; L313-L315 HydrophobicContact CD2-CD2 4.09Å; L313-L315 HydrophobicContact CG-CD2 4.39Å; L315-R317 PolarHBondContact O-N 2.95Å; L315-R317 VanDerWaalsContact O-N 3.08Å; L315-F318 PolarHBondContact O-N 3.18Å
316	N	87.6	Confident	88.5	Confident	115 Å²	115	44.1 Å²	44.1	62%	0.615	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-67.1	-13.6	-178.4	-60.3	-59	0	0	0	113.6	D314 F318	D314-N316 PolarHBondContact O-N 3.38Å; D314-N316 WeakPolarHBondContact OD1-CB 3.11Å; D314-N316 PolarHBondContact OD1-N 3.19Å; D314-N316 VanDerWaalsContact OD1-N 3.1Å; D314-N316 PolarHBondContact OD1-ND2 3.33Å; N316-F318 PolarHBondContact O-N 2.78Å
317	R	91.6	Very high	88.5	Confident	151 Å²	151	45.8 Å²	45.8	57%	0.57	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-71.9	-16.9	174.6	-62.4	-174.1	67.2	-176	0.3	112.6	D314 L315 R374	D314-R317 HydrophobicContact CB-CG 4.03Å; D314-R317 PolarHBondContact O-N 2.8Å; D314-R317 WeakPolarHBondContact OD2-CG 3.35Å; L315-R317 PolarHBondContact O-N 2.95Å; L315-R317 VanDerWaalsContact O-N 3.08Å; R317-R374 PolarHBondContact O-N 2.95Å
318	F	94.2	Very high	88.6	Confident	26 Å²	26	44 Å²	44	11%	0.114	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-117.6	157.1	-175.1	-53.7	-72.6	0	0	0	111.2	L216 L313 L315 N316 Q371 P372 L373 R374	L216-F318 HydrophobicContact CD1-CB 3.97Å; L216-F318 HydrophobicContact CD1-CD2 3.68Å; L216-F318 HydrophobicContact CD1-CE2 4.43Å; L216-F318 HydrophobicContact CD1-CG 3.99Å; L313-F318 HydrophobicContact CD1-CE2 4.29Å; L315-F318 PolarHBondContact O-N 3.18Å; N316-F318 PolarHBondContact O-N 2.78Å; F318-Q371 HydrophobicContact CD1-CB 3.67Å; F318-Q371 HydrophobicContact CD1-CG 4.27Å; F318-Q371 HydrophobicContact CE1-CB 3.66Å; F318-Q371 HydrophobicContact CE1-CG 4.16Å; F318-Q371 HydrophobicContact CG-CB 4.4Å; F318-Q371 HydrophobicContact CZ-CB 4.37Å; F318-Q371 HydrophobicContact CZ-CG 4.41Å; F318-P372 CarbonylContact C-O 3.6Å; F318-P372 WeakPolarHBondContact CA-O 3.29Å; F318-P372 WeakPolarHBondContact CB-O 3.32Å; F318-L373 HydrophobicContact CD1-CD2 4.2Å; F318-L373 HydrophobicContact CE1-CD2 3.98Å; F318-R374 WeakPolarHBondContact O-CD 3.33Å
319	V	94.6	Very high	88.8	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.024	23%	0.228	C	C	.	.			trans	-70.9	126.2	168.1	179.2	0	0	0	0	107.5	L321 P372 R374 H710 V725 D726 I728	V319-L321 HydrophobicContact CG1-CD2 4.44Å; V319-L321 PolarHBondContact O-N 3.37Å; V319-P372 HydrophobicContact CB-CB 3.98Å; V319-P372 HydrophobicContact CB-CG 4.29Å; V319-P372 HydrophobicContact CG2-CB 3.99Å; V319-P372 PolarHBondContact N-O 3.28Å; V319-R374 HydrophobicContact CG2-CG 4.02Å; V319-H710 HydrophobicContact CG2-CB 4.03Å; V319-H710 VanDerWaalsContact CG2-ND1 3.32Å; V319-H710 WeakPolarHBondContact CG2-ND1 3.41Å; V319-V725 HydrophobicContact CG1-CG2 4.02Å; V319-V725 HydrophobicContact CG2-CG2 4.39Å; V319-D726 WeakPolarHBondContact CA-O 3.49Å; V319-I728 HydrophobicContact CG1-CD1 4.3Å; V319-I728 HydrophobicContact CG1-CG1 3.95Å
320	H	91.8	Very high	88.8	Confident	31 Å²	31	42.8 Å²	42.8	14%	0.144	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	126	177.6	177.1	-70.2	0	0	0	110.1	E209 A212 D726 S727 I728	E209-H320 IonicContact OE1-CD2 3.39Å; E209-H320 IonicContact OE1-NE2 2.71Å; A212-H320 WeakPolarHBondContact CB-NE2 3.43Å; H320-D726 PolarHBondContact N-O 2.92Å; H320-S727 CarbonylContact O-C 2.98Å; H320-S727 WeakPolarHBondContact O-CA 3.39Å; H320-I728 PolarHBondContact O-N 2.9Å
321	L	90.9	Very high	88.8	Confident	7 Å²	7	42.1 Å²	42.1	4%	0.037	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.1	177	-61.4	177.6	0	0	0	108.8	V215 V319 V326 I331 P372 L707 I728	V215-L321 HydrophobicContact CG1-CB 4.26Å; V319-L321 HydrophobicContact CG1-CD2 4.44Å; V319-L321 PolarHBondContact O-N 3.37Å; L321-V326 HydrophobicContact CB-CG2 4.32Å; L321-I331 HydrophobicContact CD1-CD1 3.82Å; L321-P372 HydrophobicContact CD1-CG 3.88Å; L321-P372 HydrophobicContact CG-CG 4.47Å; L321-L707 HydrophobicContact CD1-CD1 4.16Å; L321-L707 HydrophobicContact CD2-CD1 4.42Å; L321-I728 HydrophobicContact CD2-CB 3.78Å; L321-I728 HydrophobicContact CD2-CD1 4.25Å; L321-I728 HydrophobicContact CD2-CG1 4.34Å
322	D	81.6	Confident	88.6	Confident	20 Å²	20	40.3 Å²	40.3	11%	0.107	21%	0.213	C	C	.	.			trans	-85.5	165	168	62.2	15.7	0	0	0	111	A324 A325 V326 G730	D322-A324 PolarHBondContact O-N 3.46Å; D322-A325 PolarHBondContact O-N 2.99Å; D322-A325 WeakPolarHBondContact OD1-CA 3.36Å; D322-A325 WeakPolarHBondContact OD1-CB 3.22Å; D322-A325 PolarHBondContact OD1-N 3.5Å; D322-V326 WeakPolarHBondContact O-CG2 3.27Å; D322-V326 PolarHBondContact O-N 2.71Å; D322-V326 VanDerWaalsContact O-N 3.15Å; D322-G730 PolarHBondContact OD2-N 2.76Å
323	S	81.4	Confident	88.2	Confident	27 Å²	27	36.4 Å²	36.4	19%	0.189	20%	0.198	C	C	.	.	H	α-helix	trans	-60.7	-33.7	179.6	-171.6	0	0	0	0	111.9	E211 N241 V326 A327	E211-S323 WeakPolarHBondContact OE1-CB 3.42Å; N241-S323 VanDerWaalsContact OD1-CB 3.28Å; N241-S323 WeakPolarHBondContact OD1-CB 3.43Å; N241-S323 PolarHBondContact OD1-OG 2.98Å; S323-V326 PolarHBondContact O-N 3.39Å; S323-A327 PolarHBondContact O-N 2.87Å; S323-A327 VanDerWaalsContact O-N 3.09Å
324	A	81.8	Confident	87.7	Confident	20 Å²	20	41.3 Å²	41.3	17%	0.165	22%	0.218	C	C	.	.	H	α-helix	trans	-68	-41.2	179.4	0	0	0	0	0	112	D322 A327 A328 G730	D322-A324 PolarHBondContact O-N 3.46Å; A324-A327 PolarHBondContact O-N 3.34Å; A324-A328 WeakPolarHBondContact O-CB 3.41Å; A324-A328 PolarHBondContact O-N 3.4Å; A324-G730 WeakPolarHBondContact CB-O 3.26Å
325	A	86.6	Confident	86.8	Confident	2 Å²	2	44.2 Å²	44.2	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-41.7	173.6	0	0	0	0	0	111.6	D322 A327 A328 L329 I728	D322-A325 PolarHBondContact O-N 2.99Å; D322-A325 WeakPolarHBondContact OD1-CA 3.36Å; D322-A325 WeakPolarHBondContact OD1-CB 3.22Å; D322-A325 PolarHBondContact OD1-N 3.5Å; A325-A327 VanDerWaalsContact C-N 3.29Å; A325-A327 PolarHBondContact O-N 3.07Å; A325-A328 PolarHBondContact O-N 3.35Å; A325-L329 WeakPolarHBondContact O-CB 3.11Å; A325-L329 VanDerWaalsContact O-CG 3.3Å; A325-L329 WeakPolarHBondContact O-CG 3.45Å; A325-L329 PolarHBondContact O-N 2.96Å; A325-I728 WeakPolarHBondContact CB-O 3.21Å
326	V	88.6	Confident	85.8	Confident	29 Å²	29	45.4 Å²	45.4	18%	0.176	26%	0.261	C	S	.	.	H	α-helix	trans	-57.9	-44.9	176	174.5	0	0	0	0	111.3	V215 L321 D322 S323 N330 I331	V215-V326 HydrophobicContact CG1-CG2 3.38Å; V215-V326 HydrophobicContact CG2-CG2 4.34Å; L321-V326 HydrophobicContact CB-CG2 4.32Å; D322-V326 WeakPolarHBondContact O-CG2 3.27Å; D322-V326 PolarHBondContact O-N 2.71Å; D322-V326 VanDerWaalsContact O-N 3.15Å; S323-V326 PolarHBondContact O-N 3.39Å; V326-N330 PolarHBondContact O-N 2.88Å; V326-I331 HydrophobicContact CB-CD1 4.42Å; V326-I331 HydrophobicContact CG1-CB 4.28Å; V326-I331 HydrophobicContact CG2-CD1 4.19Å; V326-I331 PolarHBondContact O-N 3.4Å; V326-I331 VanDerWaalsContact O-N 3.08Å
327	A	85.1	Confident	84.9	Confident	66 Å²	66	41.1 Å²	41.1	55%	0.545	24%	0.239	S	C	.	.	H	α-helix	trans	-69.8	-44.6	176.6	0	0	0	0	0	111.9	S323 A324 A325 L329 N330	S323-A327 PolarHBondContact O-N 2.87Å; S323-A327 VanDerWaalsContact O-N 3.09Å; A324-A327 PolarHBondContact O-N 3.34Å; A325-A327 VanDerWaalsContact C-N 3.29Å; A325-A327 PolarHBondContact O-N 3.07Å; A327-L329 PolarHBondContact O-N 3Å; A327-N330 PolarHBondContact O-N 3.44Å; A327-N330 VanDerWaalsContact O-N 3.15Å
328	A	85.3	Confident	83.8	Confident	7 Å²	7	37.3 Å²	37.3	6%	0.058	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-46.2	-177.9	0	0	0	0	0	112.6	A324 A325 N330 R700 V732	A324-A328 WeakPolarHBondContact O-CB 3.41Å; A324-A328 PolarHBondContact O-N 3.4Å; A325-A328 PolarHBondContact O-N 3.35Å; A328-N330 PolarHBondContact O-N 3.35Å; A328-R700 VanDerWaalsContact O-CD 3.28Å; A328-R700 WeakPolarHBondContact O-CD 3.15Å; A328-V732 HydrophobicContact CB-CB 3.56Å; A328-V732 HydrophobicContact CB-CG1 4.17Å; A328-V732 HydrophobicContact CB-CG2 3.5Å; A328-V732 VanDerWaalsContact CB-CG2 3.5Å
329	L	91.4	Very high	82.6	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.01	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-0.9	-179.3	-57	-178.9	0	0	0	112.5	A325 A327 I331 V349 R700 L707 I728 I766	A325-L329 WeakPolarHBondContact O-CB 3.11Å; A325-L329 VanDerWaalsContact O-CG 3.3Å; A325-L329 WeakPolarHBondContact O-CG 3.45Å; A325-L329 PolarHBondContact O-N 2.96Å; A327-L329 PolarHBondContact O-N 3Å; L329-I331 VanDerWaalsContact C-N 3.26Å; L329-I331 HydrophobicContact CB-CD1 4.48Å; L329-I331 HydrophobicContact CB-CG1 3.87Å; L329-I331 PolarHBondContact O-N 3.42Å; L329-V349 WeakPolarHBondContact O-CG2 3.46Å; L329-R700 HydrophobicContact CD2-CB 4.5Å; L329-L707 HydrophobicContact CD1-CD2 4.36Å; L329-I728 HydrophobicContact CD1-CG2 4.08Å; L329-I766 HydrophobicContact CD2-CD1 4.24Å
330	N	91.1	Very high	81.3	Confident	39 Å²	39	44 Å²	44	21%	0.209	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	46	50.3	-173	-65.8	-64.3	0	0	0	111.6	V326 A327 A328 M332 S348 V349	V326-N330 PolarHBondContact O-N 2.88Å; A327-N330 PolarHBondContact O-N 3.44Å; A327-N330 VanDerWaalsContact O-N 3.15Å; A328-N330 PolarHBondContact O-N 3.35Å; N330-M332 VanDerWaalsContact C-N 3.31Å; N330-M332 PolarHBondContact O-N 3.1Å; N330-S348 CarbonylContact O-C 3.47Å; N330-S348 WeakPolarHBondContact O-CA 3.28Å; N330-S348 WeakPolarHBondContact O-CB 3.19Å; N330-V349 PolarHBondContact O-N 3.02Å
331	I	92.4	Very high	80.6	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	29%	0.287	C	S	.	.			trans	-62.2	-44.7	-176.7	-57.1	-173.7	0	0	0	110.2	L321 V326 L329 L350 V369 L707	L321-I331 HydrophobicContact CD1-CD1 3.82Å; V326-I331 HydrophobicContact CB-CD1 4.42Å; V326-I331 HydrophobicContact CG1-CB 4.28Å; V326-I331 HydrophobicContact CG2-CD1 4.19Å; V326-I331 PolarHBondContact O-N 3.4Å; V326-I331 VanDerWaalsContact O-N 3.08Å; L329-I331 VanDerWaalsContact C-N 3.26Å; L329-I331 HydrophobicContact CB-CD1 4.48Å; L329-I331 HydrophobicContact CB-CG1 3.87Å; L329-I331 PolarHBondContact O-N 3.42Å; I331-L350 WeakPolarHBondContact O-CB 3.19Å; I331-L350 PolarHBondContact O-N 3.48Å; I331-V369 HydrophobicContact CG2-CB 3.88Å; I331-V369 HydrophobicContact CG2-CG2 4.08Å; I331-V369 WeakPolarHBondContact CG2-O 3.28Å; I331-L707 HydrophobicContact CB-CD2 4.49Å; I331-L707 HydrophobicContact CD1-CD1 4.06Å; I331-L707 HydrophobicContact CD1-CD2 3.55Å; I331-L707 HydrophobicContact CD1-CG 4.47Å; I331-L707 HydrophobicContact CG1-CD2 3.58Å; I331-L707 HydrophobicContact CG2-CD2 4.32Å
332	M	88.2	Confident	80.1	Confident	57 Å²	57	51.2 Å²	51.2	28%	0.281	32%	0.32	S	S	.	.	S	Bend	trans	-106.2	150.1	-178.3	-63.4	-60.7	-68.9	0	0	111.6	N330 S348 L350 V369 K370	N330-M332 VanDerWaalsContact C-N 3.31Å; N330-M332 PolarHBondContact O-N 3.1Å; M332-S348 VanDerWaalsContact C-CB 3.43Å; M332-S348 WeakPolarHBondContact O-CB 3.27Å; M332-L350 HydrophobicContact CE-CD2 3.85Å; M332-L350 HydrophobicContact SD-CD2 4.05Å; M332-V369 HydrophobicContact SD-CG2 3.75Å; M332-K370 HydrophobicContact SD-CD 4.4Å; M332-K370 HydrophobicContact SD-CG 4.08Å
333	P	83.6	Confident	80	Confident	31 Å²	31	51.7 Å²	51.7	20%	0.201	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-59.5	151	173.9	-16.3	27.4	0	0	0	112	Y344 L350	P333-Y344 HydrophobicContact CB-CD2 4.49Å; P333-Y344 HydrophobicContact CB-CE2 4.28Å; P333-Y344 HydrophobicContact CG-CD2 4.27Å; P333-Y344 HydrophobicContact CG-CE2 3.62Å; P333-L350 HydrophobicContact CG-CD2 4.29Å
334	K	80	Confident	80.2	Confident	126 Å²	126	51.3 Å²	51.3	55%	0.548	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-69.1	147.6	175.1	-66.5	-176.1	179.5	-179.1	0	110.6	G336 T337	K334-G336 PolarHBondContact O-N 2.67Å; K334-T337 WeakPolarHBondContact O-CB 3.42Å; K334-T337 PolarHBondContact O-N 2.84Å; K334-T337 PolarHBondContact O-OG1 3.19Å
335	P	69.1	Low	80.3	Confident	134 Å²	134	55.2 Å²	55.2	87%	0.87	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	135.5	175.2	-26.6	34.2	0	0	0	112	T337	P335-T337 VanDerWaalsContact C-N 3.35Å
336	G	64.6	Low	80.4	Confident	58 Å²	58	59.1 Å²	59.1	60%	0.598	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-5.8	-177.4	0	0	0	0	0	115.4	K334 M341	K334-G336 PolarHBondContact O-N 2.67Å; G336-M341 WeakPolarHBondContact O-CE 3.48Å
337	T	69.4	Low	80.4	Confident	26 Å²	26	59.7 Å²	59.7	16%	0.16	35%	0.346	C	S	.	.			trans	-84.5	119.3	174.2	-47.6	0	0	0	0	110	K334 P335 Y344 Q347	K334-T337 WeakPolarHBondContact O-CB 3.42Å; K334-T337 PolarHBondContact O-N 2.84Å; K334-T337 PolarHBondContact O-OG1 3.19Å; P335-T337 VanDerWaalsContact C-N 3.35Å; T337-Y344 HydrophobicContact CG2-CD2 4.28Å; T337-Q347 PolarHBondContact OG1-NE2 2.83Å; T337-Q347 PolarHBondContact OG1-OE1 3.12Å
338	H	67.4	Low	80.8	Confident	70 Å²	70	56.5 Å²	56.5	32%	0.324	32%	0.32	S	S	.	.			trans	-102.1	144.9	-177.6	-170.1	-94.7	0	0	0	110.7	E162 S340 M341	E162-H338 IonicContact OE1-NE2 2.66Å; H338-S340 WeakPolarHBondContact ND1-CB 3.41Å; H338-S340 PolarHBondContact ND1-N 3.22Å; H338-S340 VanDerWaalsContact ND1-N 3.14Å; H338-S340 PolarHBondContact ND1-OG 3.09Å; H338-S340 PolarHBondContact O-N 2.82Å; H338-M341 HydrophobicContact CB-CE 4.13Å; H338-M341 HydrophobicContact CB-CG 4.4Å; H338-M341 WeakPolarHBondContact O-CB 3.35Å; H338-M341 PolarHBondContact O-N 2.55Å
339	P	69.1	Low	81.3	Confident	74 Å²	74	56.2 Å²	56.2	48%	0.481	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-19.1	176.5	-29	35.8	0	0	0	116	Y344	P339-Y344 HydrophobicContact CB-CD1 4.39Å; P339-Y344 HydrophobicContact CB-CD2 4.43Å; P339-Y344 HydrophobicContact CB-CE1 4.3Å; P339-Y344 HydrophobicContact CB-CE2 4.33Å; P339-Y344 HydrophobicContact CB-CG 4.46Å; P339-Y344 HydrophobicContact CG-CD2 4.31Å; P339-Y344 HydrophobicContact CG-CE2 3.89Å
340	S	68.4	Low	81.5	Confident	96 Å²	96	56.6 Å²	56.6	67%	0.671	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-14.4	175.4	65.7	0	0	0	0	114.1	H338	H338-S340 WeakPolarHBondContact ND1-CB 3.41Å; H338-S340 PolarHBondContact ND1-N 3.22Å; H338-S340 VanDerWaalsContact ND1-N 3.14Å; H338-S340 PolarHBondContact ND1-OG 3.09Å; H338-S340 PolarHBondContact O-N 2.82Å
341	M	77.3	Confident	81.5	Confident	76 Å²	76	54.8 Å²	54.8	37%	0.374	31%	0.309	S	S	.	.	S	Bend	trans	-77	137.3	176.7	-61.6	-168.4	-155.4	0	0	110	G336 H338 S343 Y344	G336-M341 WeakPolarHBondContact O-CE 3.48Å; H338-M341 HydrophobicContact CB-CE 4.13Å; H338-M341 HydrophobicContact CB-CG 4.4Å; H338-M341 WeakPolarHBondContact O-CB 3.35Å; H338-M341 PolarHBondContact O-N 2.55Å; M341-S343 PolarHBondContact O-N 3.47Å; M341-Y344 VanDerWaalsContact O-CB 3.23Å; M341-Y344 WeakPolarHBondContact O-CB 3.41Å; M341-Y344 PolarHBondContact O-N 3.47Å
342	P	78.8	Confident	81.7	Confident	114 Å²	114	54.9 Å²	54.9	74%	0.74	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-34.3	174.8	-26.3	34.7	0	0	0	113.1	Y344 R345	P342-Y344 PolarHBondContact O-N 2.89Å; P342-R345 PolarHBondContact O-N 3.39Å
343	S	81.3	Confident	82.1	Confident	31 Å²	31	52.3 Å²	52.3	22%	0.217	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-21	178.8	54.9	0	0	0	0	114.2	M341 R345 W346 Q347	M341-S343 PolarHBondContact O-N 3.47Å; S343-R345 PolarHBondContact O-N 2.96Å; S343-W346 PolarHBondContact O-N 3.23Å; S343-Q347 VanDerWaalsContact O-CB 3.3Å; S343-Q347 WeakPolarHBondContact O-CB 3.48Å; S343-Q347 PolarHBondContact O-N 2.95Å; S343-Q347 VanDerWaalsContact O-N 3.08Å
344	Y	84.4	Confident	82.6	Confident	18 Å²	18	51.2 Å²	51.2	7%	0.071	29%	0.29	C	S	.	.	H	α-helix	trans	-56.1	-37.2	179	-178.3	-95.8	0	0	0	112	P333 T337 P339 M341 P342 W346 G351	P333-Y344 HydrophobicContact CB-CD2 4.49Å; P333-Y344 HydrophobicContact CB-CE2 4.28Å; P333-Y344 HydrophobicContact CG-CD2 4.27Å; P333-Y344 HydrophobicContact CG-CE2 3.62Å; T337-Y344 HydrophobicContact CG2-CD2 4.28Å; P339-Y344 HydrophobicContact CB-CD1 4.39Å; P339-Y344 HydrophobicContact CB-CD2 4.43Å; P339-Y344 HydrophobicContact CB-CE1 4.3Å; P339-Y344 HydrophobicContact CB-CE2 4.33Å; P339-Y344 HydrophobicContact CB-CG 4.46Å; P339-Y344 HydrophobicContact CG-CD2 4.31Å; P339-Y344 HydrophobicContact CG-CE2 3.89Å; M341-Y344 VanDerWaalsContact O-CB 3.23Å; M341-Y344 WeakPolarHBondContact O-CB 3.41Å; M341-Y344 PolarHBondContact O-N 3.47Å; P342-Y344 PolarHBondContact O-N 2.89Å; Y344-W346 PolarHBondContact O-N 3.38Å; Y344-G351 WeakPolarHBondContact O-CA 3.44Å
345	R	85.1	Confident	83.2	Confident	103 Å²	103	46.8 Å²	46.8	39%	0.389	27%	0.271	S	S	.	.	H	α-helix	trans	-65.6	-18.4	-173.7	-69.8	-69.8	-177.1	-179.4	-11.3	115.3	P342 S343 G351 V352 D354 H355	P342-R345 PolarHBondContact O-N 3.39Å; S343-R345 PolarHBondContact O-N 2.96Å; R345-G351 CarbonylContact O-C 3.2Å; R345-V352 WeakPolarHBondContact O-CA 3.24Å; R345-V352 PolarHBondContact O-N 2.94Å; R345-D354 PolarHBondContact NH1-O 3.19Å; R345-H355 PolarHBondContact NH1-CE1 3.44Å; R345-H355 PolarHBondContact NH1-ND1 3.42Å; R345-H355 VanDerWaalsContact NH1-ND1 3.16Å; R345-H355 PolarHBondContact NH1-NE2 2.92Å
346	W	87.6	Confident	84.4	Confident	83 Å²	83	40.7 Å²	40.7	31%	0.314	23%	0.231	S	C	.	.	H	α-helix	trans	-135.8	-1	-174.3	52.9	-105.7	0	0	0	113	S343 Y344 C661 L664 Q665	S343-W346 PolarHBondContact O-N 3.23Å; Y344-W346 PolarHBondContact O-N 3.38Å; W346-C661 WeakPolarHBondContact O-CA 3.44Å; W346-C661 WeakPolarHBondContact O-CB 3.4Å; W346-L664 HydrophobicContact CB-CB 3.8Å; W346-Q665 HydrophobicContact CD2-CG 3.78Å; W346-Q665 HydrophobicContact CE3-CG 3.53Å; W346-Q665 VanDerWaalsContact CE3-NE2 3.32Å; W346-Q665 HydrophobicContact CG-CG 4.24Å; W346-Q665 HydrophobicContact CZ3-CG 3.95Å; W346-Q665 VanDerWaalsContact CZ3-NE2 3.34Å
347	Q	88.7	Confident	85.8	Confident	41 Å²	41	42.4 Å²	42.4	19%	0.192	22%	0.22	C	C	.	.	H	α-helix	trans	-74.5	-31.1	-179.2	-169.1	-168.8	66.2	0	0	112.9	T337 S343	T337-Q347 PolarHBondContact OG1-NE2 2.83Å; T337-Q347 PolarHBondContact OG1-OE1 3.12Å; S343-Q347 VanDerWaalsContact O-CB 3.3Å; S343-Q347 WeakPolarHBondContact O-CB 3.48Å; S343-Q347 PolarHBondContact O-N 2.95Å; S343-Q347 VanDerWaalsContact O-N 3.08Å
348	S	93.9	Very high	86.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-143.8	161.8	-174.3	64	0	0	0	0	112.2	N330 M332 L350 G351 V352 C661	N330-S348 CarbonylContact O-C 3.47Å; N330-S348 WeakPolarHBondContact O-CA 3.28Å; N330-S348 WeakPolarHBondContact O-CB 3.19Å; M332-S348 VanDerWaalsContact C-CB 3.43Å; M332-S348 WeakPolarHBondContact O-CB 3.27Å; S348-L350 VanDerWaalsContact C-N 3.27Å; S348-L350 PolarHBondContact O-N 3.43Å; S348-G351 WeakPolarHBondContact O-CA 3.13Å; S348-G351 PolarHBondContact O-N 3.3Å; S348-G351 PolarHBondContact OG-N 3.31Å; S348-V352 WeakPolarHBondContact O-CG2 3.44Å; S348-V352 PolarHBondContact O-N 3.34Å; S348-C661 VanDerWaalsContact C-SG 3.52Å
349	V	95.4	Very high	87.9	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-58.3	-41.9	176.5	-177.5	0	0	0	0	110.9	L329 N330 G351 V352 L353 T704 L707 M708	L329-V349 WeakPolarHBondContact O-CG2 3.46Å; N330-V349 PolarHBondContact O-N 3.02Å; V349-G351 VanDerWaalsContact C-N 3.3Å; V349-G351 PolarHBondContact O-N 3Å; V349-V352 PolarHBondContact O-N 3.03Å; V349-L353 HydrophobicContact CG1-CD1 3.8Å; V349-L353 HydrophobicContact CG1-CG 4.35Å; V349-L353 WeakPolarHBondContact O-CB 3.5Å; V349-L353 WeakPolarHBondContact O-CG 3.36Å; V349-L353 PolarHBondContact O-N 3.34Å; V349-T704 HydrophobicContact CG2-CG2 3.58Å; V349-L707 HydrophobicContact CG1-CD2 4.42Å; V349-L707 HydrophobicContact CG2-CD2 4.43Å; V349-M708 HydrophobicContact CG1-CG 4.21Å
350	L	94.8	Very high	88.8	Confident	10 Å²	10	35.8 Å²	35.8	5%	0.052	18%	0.183	C	C	.	.	H	α-helix	trans	-56.3	-45.8	172	179.1	59.6	0	0	0	111.6	I331 M332 P333 S348 V352 L353 D354 M365 V369	I331-L350 WeakPolarHBondContact O-CB 3.19Å; I331-L350 PolarHBondContact O-N 3.48Å; M332-L350 HydrophobicContact CE-CD2 3.85Å; M332-L350 HydrophobicContact SD-CD2 4.05Å; P333-L350 HydrophobicContact CG-CD2 4.29Å; S348-L350 VanDerWaalsContact C-N 3.27Å; S348-L350 PolarHBondContact O-N 3.43Å; L350-V352 VanDerWaalsContact C-N 3.32Å; L350-V352 PolarHBondContact O-N 2.9Å; L350-L353 PolarHBondContact O-N 3.37Å; L350-D354 HydrophobicContact CD1-CB 4.12Å; L350-D354 WeakPolarHBondContact O-CB 3.46Å; L350-D354 PolarHBondContact O-N 3.46Å; L350-M365 HydrophobicContact CD1-CB 4.24Å; L350-M365 HydrophobicContact CD1-CG 3.61Å; L350-V369 HydrophobicContact CB-CG2 4.32Å; L350-V369 HydrophobicContact CD1-CG1 4.19Å; L350-V369 HydrophobicContact CD1-CG2 4.17Å
351	G	92.9	Very high	90	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.4	-37.8	179.8	0	0	0	0	0	114.2	Y344 R345 S348 V349	Y344-G351 WeakPolarHBondContact O-CA 3.44Å; R345-G351 CarbonylContact O-C 3.2Å; S348-G351 WeakPolarHBondContact O-CA 3.13Å; S348-G351 PolarHBondContact O-N 3.3Å; S348-G351 PolarHBondContact OG-N 3.31Å; V349-G351 VanDerWaalsContact C-N 3.3Å; V349-G351 PolarHBondContact O-N 3Å
352	V	95.1	Very high	90.6	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.024	14%	0.144	C	C	.	.	H	α-helix	trans	-69.7	-40.9	176	176.4	0	0	0	0	111.5	R345 S348 V349 L350 H355 P660 L664	R345-V352 WeakPolarHBondContact O-CA 3.24Å; R345-V352 PolarHBondContact O-N 2.94Å; S348-V352 WeakPolarHBondContact O-CG2 3.44Å; S348-V352 PolarHBondContact O-N 3.34Å; V349-V352 PolarHBondContact O-N 3.03Å; L350-V352 VanDerWaalsContact C-N 3.32Å; L350-V352 PolarHBondContact O-N 2.9Å; V352-H355 PolarHBondContact O-CD2 3.09Å; V352-H355 PolarHBondContact O-NE2 3.35Å; V352-P660 HydrophobicContact CG1-CB 4.19Å; V352-L664 HydrophobicContact CB-CD1 4.34Å; V352-L664 HydrophobicContact CG1-CD1 3.84Å; V352-L664 HydrophobicContact CG2-CD1 3.84Å
353	L	96.8	Very high	91	Very high	2 Å²	2	26 Å²	26	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-86.3	-22.3	-174.5	-66.6	178.3	0	0	0	113.7	V349 L350 H355 M365 V369 S627 F628 A631 M708 A713	V349-L353 HydrophobicContact CG1-CD1 3.8Å; V349-L353 HydrophobicContact CG1-CG 4.35Å; V349-L353 WeakPolarHBondContact O-CB 3.5Å; V349-L353 WeakPolarHBondContact O-CG 3.36Å; V349-L353 PolarHBondContact O-N 3.34Å; L350-L353 PolarHBondContact O-N 3.37Å; L353-H355 PolarHBondContact O-N 3.09Å; L353-M365 HydrophobicContact CB-SD 4.25Å; L353-V369 HydrophobicContact CD1-CG1 4.38Å; L353-S627 PolarHBondContact O-OG 3.44Å; L353-F628 HydrophobicContact CB-CD1 4.32Å; L353-F628 HydrophobicContact CB-CE1 4.07Å; L353-F628 HydrophobicContact CD1-CE1 3.96Å; L353-F628 HydrophobicContact CD2-CD1 4.05Å; L353-F628 HydrophobicContact CD2-CE1 4.25Å; L353-F628 HydrophobicContact CG-CE1 4.33Å; L353-A631 HydrophobicContact CD2-CB 4.25Å; L353-M708 HydrophobicContact CD1-CG 4.45Å; L353-M708 HydrophobicContact CD2-CE 3.85Å; L353-A713 HydrophobicContact CD1-CB 4.43Å; L353-A713 HydrophobicContact CD2-CB 4.01Å
354	D	94	Very high	91.5	Very high	8 Å²	8	25.9 Å²	25.9	4%	0.043	11%	0.112	C	C	.	.			trans	-86.9	90.5	-172.3	-169.2	9.8	0	0	0	113.5	R345 L350 C356 H362 M365	R345-D354 PolarHBondContact NH1-O 3.19Å; L350-D354 HydrophobicContact CD1-CB 4.12Å; L350-D354 WeakPolarHBondContact O-CB 3.46Å; L350-D354 PolarHBondContact O-N 3.46Å; D354-C356 WeakPolarHBondContact OD1-CB 3.45Å; D354-C356 PolarHBondContact OD1-N 2.97Å; D354-H362 IonicContact OD1-CE1 2.95Å; D354-H362 PolarHBondContact OD1-CE1 3.48Å; D354-H362 IonicContact OD1-CG 3.39Å; D354-H362 IonicContact OD1-ND1 2.89Å; D354-H362 PolarHBondContact OD1-ND1 3.48Å; D354-H362 IonicContact OD2-CE1 3.62Å; D354-H362 IonicContact OD2-CG 3.71Å; D354-H362 IonicContact OD2-ND1 3.47Å; D354-H362 PolarHBondContact OD2-ND1 3.3Å; D354-M365 HydrophobicContact CB-CG 4.12Å
355	H	94.1	Very high	92	Very high	34 Å²	34	25 Å²	25	16%	0.157	11%	0.108	C	C	.	.			trans	-114.1	16.6	170.2	-65.7	-104.5	0	0	0	111.7	R345 V352 L353 S627 I630	R345-H355 PolarHBondContact NH1-CE1 3.44Å; R345-H355 PolarHBondContact NH1-ND1 3.42Å; R345-H355 VanDerWaalsContact NH1-ND1 3.16Å; R345-H355 PolarHBondContact NH1-NE2 2.92Å; V352-H355 PolarHBondContact O-CD2 3.09Å; V352-H355 PolarHBondContact O-NE2 3.35Å; L353-H355 PolarHBondContact O-N 3.09Å; H355-S627 VanDerWaalsContact CA-OG 3.28Å; H355-S627 WeakPolarHBondContact CA-OG 3.42Å; H355-S627 WeakPolarHBondContact CB-OG 3.33Å; H355-S627 PolarHBondContact N-OG 3.02Å; H355-I630 HydrophobicContact CB-CB 4.22Å; H355-I630 HydrophobicContact CB-CG2 3.94Å
356	C	94.4	Very high	92.3	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.034	10%	0.096	C	C	.	.			trans	-55.9	154	177.6	-69.3	0	0	0	0	111.2	D354 G361 H362 D623 S627	D354-C356 WeakPolarHBondContact OD1-CB 3.45Å; D354-C356 PolarHBondContact OD1-N 2.97Å; C356-G361 VanDerWaalsContact SG-C 3.52Å; C356-H362 PolarHBondContact O-CE1 2.93Å; C356-H362 PolarHBondContact O-NE2 2.89Å; C356-H362 VanDerWaalsContact O-NE2 3.16Å; C356-D623 WeakPolarHBondContact CA-OD1 3.44Å; C356-D623 WeakPolarHBondContact CB-OD2 3.48Å; C356-S627 PolarHBondContact N-OG 3.35Å
357	R	93.8	Very high	92.4	Very high	94 Å²	94	19.8 Å²	19.8	36%	0.355	10%	0.095	S	C	.	.	S	Bend	trans	-110.9	-12.7	-178.3	-60.7	-59.8	-166.9	-167.6	-3.7	112.9	S400 L404 K405 D623	R357-S400 WeakPolarHBondContact CG-O 3.38Å; R357-S400 WeakPolarHBondContact CG-OG 3.2Å; R357-S400 PolarHBondContact NE-OG 3.15Å; R357-L404 HydrophobicContact CB-CB 3.91Å; R357-L404 HydrophobicContact CG-CB 4.41Å; R357-K405 HydrophobicContact CB-CB 4.45Å; R357-D623 VanDerWaalsContact N-CG 3.34Å; R357-D623 PolarHBondContact N-OD1 3.35Å; R357-D623 PolarHBondContact N-OD2 3.14Å
358	T	92.3	Very high	92.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-118.5	145.4	-177	71.2	0	0	0	0	111	Q360 G361 H362 L404 I407 D623	T358-Q360 PolarHBondContact O-N 2.99Å; T358-Q360 WeakPolarHBondContact OG1-CG 3.5Å; T358-G361 PolarHBondContact O-N 3.05Å; T358-G361 VanDerWaalsContact O-N 3.08Å; T358-G361 PolarHBondContact OG1-N 3Å; T358-H362 PolarHBondContact O-CD2 2.81Å; T358-H362 PolarHBondContact O-N 3.21Å; T358-L404 HydrophobicContact CG2-CB 4.36Å; T358-L404 WeakPolarHBondContact CG2-O 3.49Å; T358-I407 HydrophobicContact CG2-CB 3.88Å; T358-I407 HydrophobicContact CG2-CG2 4.28Å; T358-D623 WeakPolarHBondContact CB-OD2 3.33Å; T358-D623 PolarHBondContact N-OD2 3.18Å; T358-D623 PolarHBondContact OG1-OD2 3.33Å
359	P	87.7	Confident	92.7	Very high	29 Å²	29	18.6 Å²	18.6	19%	0.188	9%	0.089	C	C	.	.	H	α-helix	trans	-57.1	-37.2	175.9	-29	38.6	0	0	0	113.5	H362 R363 D409	P359-H362 PolarHBondContact O-N 3.01Å; P359-R363 WeakPolarHBondContact O-CG 3.46Å; P359-R363 PolarHBondContact O-N 3.41Å; P359-R363 VanDerWaalsContact O-N 3.08Å; P359-D409 HydrophobicContact CB-CB 4.13Å; P359-D409 VanDerWaalsContact CB-OD2 3.31Å; P359-D409 WeakPolarHBondContact CB-OD2 3.39Å; P359-D409 HydrophobicContact CG-CB 4.04Å
360	Q	88.5	Confident	92.5	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.014	10%	0.097	C	C	.	.	H	α-helix	trans	-66.4	-36.3	175.5	61.8	-87	22.5	0	0	112.9	T358 R363 L364 N616 A620	T358-Q360 PolarHBondContact O-N 2.99Å; T358-Q360 WeakPolarHBondContact OG1-CG 3.5Å; Q360-R363 PolarHBondContact O-N 3.21Å; Q360-L364 WeakPolarHBondContact O-CB 3.28Å; Q360-L364 PolarHBondContact O-N 3.22Å; Q360-N616 WeakPolarHBondContact CB-OD1 3.3Å; Q360-N616 WeakPolarHBondContact CG-OD1 3.11Å; Q360-A620 HydrophobicContact CB-CB 3.95Å; Q360-A620 HydrophobicContact CG-CB 3.86Å; Q360-A620 WeakPolarHBondContact O-CB 3.17Å
361	G	92.9	Very high	92.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.2	-47.4	172.9	0	0	0	0	0	112.3	C356 T358 R363 L364 M365 C624	C356-G361 VanDerWaalsContact SG-C 3.52Å; T358-G361 PolarHBondContact O-N 3.05Å; T358-G361 VanDerWaalsContact O-N 3.08Å; T358-G361 PolarHBondContact OG1-N 3Å; G361-R363 VanDerWaalsContact C-N 3.31Å; G361-R363 PolarHBondContact O-N 3.41Å; G361-L364 PolarHBondContact O-N 3.05Å; G361-M365 WeakPolarHBondContact O-CB 3.24Å; G361-M365 PolarHBondContact O-N 2.64Å; G361-C624 PolarHBondContact O-SG 2.83Å
362	H	90.6	Very high	92.6	Very high	46 Å²	46	20.8 Å²	20.8	21%	0.213	10%	0.098	C	C	.	.	H	α-helix	trans	-59.1	-41.4	176.3	-67.3	-69.3	0	0	0	112.6	V163 D354 C356 T358 P359 M365 G366	V163-H362 HydrophobicContact CB-CB 4.16Å; V163-H362 HydrophobicContact CG1-CB 3.41Å; V163-H362 VanDerWaalsContact CG1-CB 3.41Å; V163-H362 HydrophobicContact CG2-CB 3.77Å; V163-H362 VanDerWaalsContact CG2-CD2 3.43Å; V163-H362 WeakPolarHBondContact CG2-CD2 3.35Å; D354-H362 IonicContact OD1-CE1 2.95Å; D354-H362 PolarHBondContact OD1-CE1 3.48Å; D354-H362 IonicContact OD1-CG 3.39Å; D354-H362 IonicContact OD1-ND1 2.89Å; D354-H362 PolarHBondContact OD1-ND1 3.48Å; D354-H362 IonicContact OD2-CE1 3.62Å; D354-H362 IonicContact OD2-CG 3.71Å; D354-H362 IonicContact OD2-ND1 3.47Å; D354-H362 PolarHBondContact OD2-ND1 3.3Å; C356-H362 PolarHBondContact O-CE1 2.93Å; C356-H362 PolarHBondContact O-NE2 2.89Å; C356-H362 VanDerWaalsContact O-NE2 3.16Å; T358-H362 PolarHBondContact O-CD2 2.81Å; T358-H362 PolarHBondContact O-N 3.21Å; P359-H362 PolarHBondContact O-N 3.01Å; H362-M365 PolarHBondContact O-N 3.24Å; H362-G366 PolarHBondContact O-N 3.37Å
363	R	87.7	Confident	92.7	Very high	34 Å²	34	21.5 Å²	21.5	13%	0.128	10%	0.101	C	C	.	.	H	α-helix	trans	-60.8	-48.8	174.8	-79.9	-171.4	-64.2	-97.9	5.6	112.3	V163 L164 P359 Q360 G361 M365 G366 Q367 D409	V163-R363 HydrophobicContact CG1-CG 4.08Å; L164-R363 WeakPolarHBondContact O-CD 3.29Å; L164-R363 WeakPolarHBondContact O-CG 3.34Å; P359-R363 WeakPolarHBondContact O-CG 3.46Å; P359-R363 PolarHBondContact O-N 3.41Å; P359-R363 VanDerWaalsContact O-N 3.08Å; Q360-R363 PolarHBondContact O-N 3.21Å; G361-R363 VanDerWaalsContact C-N 3.31Å; G361-R363 PolarHBondContact O-N 3.41Å; R363-M365 VanDerWaalsContact C-N 3.32Å; R363-M365 PolarHBondContact O-N 3.39Å; R363-G366 PolarHBondContact O-N 3.4Å; R363-Q367 PolarHBondContact O-N 3.26Å; R363-D409 IonicContact CZ-OD1 2.9Å; R363-D409 IonicContact CZ-OD2 3.96Å; R363-D409 IonicContact NH1-OD1 3.36Å; R363-D409 IonicContact NH1-OD2 3.84Å; R363-D409 PolarHBondContact NH1-OD2 2.82Å; R363-D409 IonicContact NH2-OD1 2.78Å; R363-D409 PolarHBondContact NH2-OD1 3.25Å; R363-D409 IonicContact NH2-OD2 3.97Å; R363-D409 PolarHBondContact NH2-OD2 3.25Å
364	L	91.9	Very high	92.6	Very high	29 Å²	29	24.1 Å²	24.1	15%	0.152	11%	0.111	C	C	.	.	H	α-helix	trans	-66.3	-36.2	-179.6	-174.2	64.1	0	0	0	111.6	Q360 G361 Q367 W368 A620 Q621	Q360-L364 WeakPolarHBondContact O-CB 3.28Å; Q360-L364 PolarHBondContact O-N 3.22Å; G361-L364 PolarHBondContact O-N 3.05Å; L364-Q367 WeakPolarHBondContact O-CB 3.11Å; L364-Q367 PolarHBondContact O-N 3.5Å; L364-Q367 VanDerWaalsContact O-N 3.16Å; L364-W368 VanDerWaalsContact CD1-NE1 3.32Å; L364-W368 HydrophobicContact CD2-CZ2 3.73Å; L364-W368 HydrophobicContact CG-CD2 4.38Å; L364-W368 HydrophobicContact CG-CG 4.49Å; L364-W368 HydrophobicContact CG-CZ2 4.16Å; L364-W368 PolarHBondContact O-N 3.18Å; L364-A620 HydrophobicContact CB-CB 4.05Å; L364-A620 HydrophobicContact CD2-CB 3.7Å; L364-Q621 HydrophobicContact CD2-CB 4.22Å
365	M	94.3	Very high	92.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-48.6	174.4	-172.4	60.3	74.2	0	0	111.2	L350 L353 D354 G361 H362 R363 Q367 W368 V369 C624 F628	L350-M365 HydrophobicContact CD1-CB 4.24Å; L350-M365 HydrophobicContact CD1-CG 3.61Å; L353-M365 HydrophobicContact CB-SD 4.25Å; D354-M365 HydrophobicContact CB-CG 4.12Å; G361-M365 WeakPolarHBondContact O-CB 3.24Å; G361-M365 PolarHBondContact O-N 2.64Å; H362-M365 PolarHBondContact O-N 3.24Å; R363-M365 VanDerWaalsContact C-N 3.32Å; R363-M365 PolarHBondContact O-N 3.39Å; M365-Q367 PolarHBondContact O-N 2.72Å; M365-W368 PolarHBondContact O-N 3.2Å; M365-W368 VanDerWaalsContact O-N 3.16Å; M365-V369 PolarHBondContact O-N 2.97Å; M365-V369 VanDerWaalsContact O-N 3.1Å; M365-C624 HydrophobicContact CE-CB 3.77Å; M365-F628 HydrophobicContact CE-CD1 3.8Å; M365-F628 HydrophobicContact CE-CE1 3.37Å; M365-F628 HydrophobicContact CE-CZ 3.94Å; M365-F628 HydrophobicContact SD-CD1 4.3Å; M365-F628 HydrophobicContact SD-CE1 3.35Å; M365-F628 WeakPolarHBondContact SD-CE1 3.37Å; M365-F628 HydrophobicContact SD-CZ 3.76Å
366	G	90.6	Very high	92.7	Very high	13 Å²	13	27.7 Å²	27.7	13%	0.134	13%	0.129	C	C	.	.	H	α-helix	trans	-59.2	-29	174	0	0	0	0	0	113.5	H362 R363 V369 K370	H362-G366 PolarHBondContact O-N 3.37Å; R363-G366 PolarHBondContact O-N 3.4Å; G366-V369 WeakPolarHBondContact O-CG2 3.49Å; G366-K370 VanDerWaalsContact O-CE 3.22Å; G366-K370 WeakPolarHBondContact O-CE 3.38Å
367	Q	90.5	Very high	92.7	Very high	63 Å²	63	32.5 Å²	32.5	29%	0.294	16%	0.155	S	C	.	.	H	α-helix	trans	-74.3	-49.7	171.7	-178.7	-178.3	-5.9	0	0	111.8	R363 L364 M365 V369 K370 Q371	R363-Q367 PolarHBondContact O-N 3.26Å; L364-Q367 WeakPolarHBondContact O-CB 3.11Å; L364-Q367 PolarHBondContact O-N 3.5Å; L364-Q367 VanDerWaalsContact O-N 3.16Å; M365-Q367 PolarHBondContact O-N 2.72Å; Q367-V369 VanDerWaalsContact C-N 3.31Å; Q367-V369 PolarHBondContact O-N 2.95Å; Q367-K370 PolarHBondContact O-N 3.09Å; Q367-K370 VanDerWaalsContact O-N 3.09Å; Q367-Q371 VanDerWaalsContact CG-OE1 3.28Å; Q367-Q371 WeakPolarHBondContact O-CB 3.4Å; Q367-Q371 PolarHBondContact O-N 3.25Å
368	W	94.6	Very high	92.8	Very high	16 Å²	16	30.9 Å²	30.9	6%	0.061	15%	0.153	C	C	.	.	H	α-helix	trans	-59.6	-39	-176.1	-76.9	8.2	0	0	0	112.7	L364 M365 K370 Q371 R382 Q621 C624 L625 F628 I711	L364-W368 VanDerWaalsContact CD1-NE1 3.32Å; L364-W368 HydrophobicContact CD2-CZ2 3.73Å; L364-W368 HydrophobicContact CG-CD2 4.38Å; L364-W368 HydrophobicContact CG-CG 4.49Å; L364-W368 HydrophobicContact CG-CZ2 4.16Å; L364-W368 PolarHBondContact O-N 3.18Å; M365-W368 PolarHBondContact O-N 3.2Å; M365-W368 VanDerWaalsContact O-N 3.16Å; W368-K370 PolarHBondContact O-N 3.44Å; W368-Q371 CarbonylContact O-C 3.57Å; W368-Q371 VanDerWaalsContact O-C 3.26Å; W368-Q371 PolarHBondContact O-N 3.29Å; W368-Q371 VanDerWaalsContact O-N 3.09Å; W368-R382 VanDerWaalsContact CZ2-NH2 3.26Å; W368-Q621 HydrophobicContact CH2-CG 4.04Å; W368-Q621 HydrophobicContact CZ2-CB 4.39Å; W368-Q621 HydrophobicContact CZ2-CG 4.09Å; W368-C624 HydrophobicContact CE3-CB 3.85Å; W368-C624 HydrophobicContact CH2-CB 3.67Å; W368-C624 HydrophobicContact CZ2-CB 4.4Å; W368-C624 HydrophobicContact CZ3-CB 3.35Å; W368-L625 HydrophobicContact CH2-CD2 4.33Å; W368-L625 HydrophobicContact CH2-CG 4.27Å; W368-L625 HydrophobicContact CZ3-CD2 4.27Å; W368-F628 AromaticContact CE3-CE2 3.7Å; W368-F628 HydrophobicContact CE3-CE2 3.7Å; W368-F628 AromaticContact CE3-CZ 3.69Å; W368-F628 HydrophobicContact CE3-CZ 3.69Å; W368-F628 HydrophobicContact CZ3-CD2 4.48Å; W368-F628 AromaticContact CZ3-CE2 3.65Å; W368-F628 HydrophobicContact CZ3-CE2 3.65Å; W368-F628 HydrophobicContact CZ3-CZ 4.08Å; W368-I711 HydrophobicContact CB-CG2 4.15Å
369	V	94.1	Very high	93.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.4	178.1	-61.2	0	0	0	0	113.5	I331 M332 L350 L353 M365 G366 Q367 I711	I331-V369 HydrophobicContact CG2-CB 3.88Å; I331-V369 HydrophobicContact CG2-CG2 4.08Å; I331-V369 WeakPolarHBondContact CG2-O 3.28Å; M332-V369 HydrophobicContact SD-CG2 3.75Å; L350-V369 HydrophobicContact CB-CG2 4.32Å; L350-V369 HydrophobicContact CD1-CG1 4.19Å; L350-V369 HydrophobicContact CD1-CG2 4.17Å; L353-V369 HydrophobicContact CD1-CG1 4.38Å; M365-V369 PolarHBondContact O-N 2.97Å; M365-V369 VanDerWaalsContact O-N 3.1Å; G366-V369 WeakPolarHBondContact O-CG2 3.49Å; Q367-V369 VanDerWaalsContact C-N 3.31Å; Q367-V369 PolarHBondContact O-N 2.95Å; V369-I711 HydrophobicContact CB-CD1 4.2Å; V369-I711 HydrophobicContact CG1-CD1 4.14Å
370	K	91.4	Very high	93.5	Very high	41 Å²	41	31 Å²	31	18%	0.178	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-14.2	174.6	-62.6	-175.4	-65.3	162.9	0	113.1	L217 M332 G366 Q367 W368 P372	L217-K370 PolarHBondContact O-NZ 3.28Å; M332-K370 HydrophobicContact SD-CD 4.4Å; M332-K370 HydrophobicContact SD-CG 4.08Å; G366-K370 VanDerWaalsContact O-CE 3.22Å; G366-K370 WeakPolarHBondContact O-CE 3.38Å; Q367-K370 PolarHBondContact O-N 3.09Å; Q367-K370 VanDerWaalsContact O-N 3.09Å; W368-K370 PolarHBondContact O-N 3.44Å; K370-P372 VanDerWaalsContact C-CD 3.45Å; K370-P372 WeakPolarHBondContact O-CD 3.26Å
371	Q	93.4	Very high	93.9	Very high	16 Å²	16	33.5 Å²	33.5	8%	0.075	17%	0.165	C	C	.	.	S	Bend	trans	-125.8	62.3	-174	-73.9	176.3	10.6	0	0	110.9	L216 F318 Q367 W368 L373	L216-Q371 HydrophobicContact CD1-CG 4.41Å; L216-Q371 HydrophobicContact CD2-CG 4.03Å; L216-Q371 HydrophobicContact CG-CG 3.79Å; L216-Q371 PolarHBondContact O-NE2 3.47Å; F318-Q371 HydrophobicContact CD1-CB 3.67Å; F318-Q371 HydrophobicContact CD1-CG 4.27Å; F318-Q371 HydrophobicContact CE1-CB 3.66Å; F318-Q371 HydrophobicContact CE1-CG 4.16Å; F318-Q371 HydrophobicContact CG-CB 4.4Å; F318-Q371 HydrophobicContact CZ-CB 4.37Å; F318-Q371 HydrophobicContact CZ-CG 4.41Å; Q367-Q371 VanDerWaalsContact CG-OE1 3.28Å; Q367-Q371 WeakPolarHBondContact O-CB 3.4Å; Q367-Q371 PolarHBondContact O-N 3.25Å; W368-Q371 CarbonylContact O-C 3.57Å; W368-Q371 VanDerWaalsContact O-C 3.26Å; W368-Q371 PolarHBondContact O-N 3.29Å; W368-Q371 VanDerWaalsContact O-N 3.09Å; Q371-L373 PolarHBondContact O-N 2.83Å
372	P	96.1	Very high	94.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.169	C	C	.	.			trans	-64.1	138.5	176.5	-9.3	25.7	0	0	0	109	F318 V319 L321 K370 L707 H710 I711	F318-P372 CarbonylContact C-O 3.6Å; F318-P372 WeakPolarHBondContact CA-O 3.29Å; F318-P372 WeakPolarHBondContact CB-O 3.32Å; V319-P372 HydrophobicContact CB-CB 3.98Å; V319-P372 HydrophobicContact CB-CG 4.29Å; V319-P372 HydrophobicContact CG2-CB 3.99Å; V319-P372 PolarHBondContact N-O 3.28Å; L321-P372 HydrophobicContact CD1-CG 3.88Å; L321-P372 HydrophobicContact CG-CG 4.47Å; K370-P372 VanDerWaalsContact C-CD 3.45Å; K370-P372 WeakPolarHBondContact O-CD 3.26Å; P372-L707 HydrophobicContact CB-CD1 4.17Å; P372-L707 HydrophobicContact CG-CD1 3.38Å; P372-H710 CarbonylContact C-O 3.3Å; P372-H710 WeakPolarHBondContact CA-O 3.32Å; P372-H710 HydrophobicContact CB-CB 3.66Å; P372-I711 HydrophobicContact CB-CG1 4.22Å; P372-I711 HydrophobicContact CG-CG1 4.48Å
373	L	96.2	Very high	94.5	Very high	18 Å²	18	32.2 Å²	32.2	9%	0.094	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-85.2	146.5	-170.2	-62.7	172.1	0	0	0	112.3	F318 Q371 I378 L379 H710	F318-L373 HydrophobicContact CD1-CD2 4.2Å; F318-L373 HydrophobicContact CE1-CD2 3.98Å; Q371-L373 PolarHBondContact O-N 2.83Å; L373-I378 HydrophobicContact CD1-CB 4.18Å; L373-I378 HydrophobicContact CD1-CG2 3.55Å; L373-L379 HydrophobicContact CB-CD2 4.1Å; L373-L379 HydrophobicContact CB-CG 4.25Å; L373-L379 HydrophobicContact CD1-CD2 4.06Å; L373-H710 PolarHBondContact N-O 3.43Å; L373-H710 PolarHBondContact O-ND1 2.91Å
374	R	94.8	Very high	94.9	Very high	57 Å²	57	32.7 Å²	32.7	22%	0.215	16%	0.163	C	C	.	.			trans	-98.7	7.8	165.8	-83	178.4	81.3	177	7.8	114.3	R317 F318 V319 E647 M724	R317-R374 PolarHBondContact O-N 2.95Å; F318-R374 WeakPolarHBondContact O-CD 3.33Å; V319-R374 HydrophobicContact CG2-CG 4.02Å; R374-E647 IonicContact CZ-OE2 2.72Å; R374-E647 IonicContact NE-OE2 2.75Å; R374-E647 PolarHBondContact NE-OE2 2.99Å; R374-E647 IonicContact NH2-OE1 3.32Å; R374-E647 PolarHBondContact NH2-OE1 3.29Å; R374-E647 IonicContact NH2-OE2 3.39Å; R374-E647 PolarHBondContact NH2-OE2 3.27Å; R374-M724 VanDerWaalsContact CA-CE 3.42Å; R374-M724 HydrophobicContact CB-CE 4.49Å; R374-M724 WeakPolarHBondContact O-CE 3.35Å
375	S	94.8	Very high	95.2	Very high	44 Å²	44	31.4 Å²	31.4	31%	0.308	16%	0.157	S	C	.	.			trans	-99	108.5	178.1	-174.4	0	0	0	0	112.4	N377 I378 L379	S375-N377 VanDerWaalsContact C-N 3.3Å; S375-N377 PolarHBondContact O-N 2.84Å; S375-I378 PolarHBondContact O-N 3.41Å; S375-L379 WeakPolarHBondContact O-CG 3.47Å; S375-L379 PolarHBondContact O-N 2.93Å; S375-L379 VanDerWaalsContact O-N 3.1Å
376	R	95.3	Very high	95.4	Very high	73 Å²	73	31.4 Å²	31.4	28%	0.275	16%	0.157	S	C	.	.	H	α-helix	trans	-59.2	-37.9	178.3	-168.2	-178.7	69.5	93.8	-2.7	113.1	L379 N380 M644 E646 M724	R376-L379 PolarHBondContact O-N 3.35Å; R376-N380 PolarHBondContact NH1-ND2 2.71Å; R376-N380 WeakPolarHBondContact O-CB 3.37Å; R376-N380 VanDerWaalsContact O-CG 3.31Å; R376-N380 PolarHBondContact O-N 2.9Å; R376-N380 PolarHBondContact O-ND2 3.17Å; R376-M644 HydrophobicContact CG-CB 4.12Å; R376-E646 IonicContact CZ-OE1 3.99Å; R376-E646 IonicContact NE-OE1 2.78Å; R376-E646 PolarHBondContact NE-OE1 2.89Å; R376-E646 IonicContact NE-OE2 3.08Å; R376-E646 PolarHBondContact NE-OE2 3.35Å; R376-E646 IonicContact NH2-OE1 2.62Å; R376-E646 PolarHBondContact NH2-OE1 2.88Å; R376-M724 HydrophobicContact CB-CG 4.47Å; R376-M724 HydrophobicContact CB-SD 4.41Å
377	N	95.7	Very high	95.7	Very high	106 Å²	106	33.1 Å²	33.1	57%	0.567	16%	0.161	S	C	*	.	H	α-helix	trans	-63	-49.3	-179.9	-66.9	-18.7	0	0	0	111.2	S375 L379 N380 D381	S375-N377 VanDerWaalsContact C-N 3.3Å; S375-N377 PolarHBondContact O-N 2.84Å; N377-L379 VanDerWaalsContact C-N 3.3Å; N377-L379 PolarHBondContact O-N 2.82Å; N377-N380 PolarHBondContact O-N 3.2Å; N377-D381 PolarHBondContact O-N 3.29Å
378	I	96	Very high	96.1	Very high	61 Å²	61	30.8 Å²	30.8	31%	0.313	15%	0.152	S	C	.	.	H	α-helix	trans	-62.4	-40.5	178.4	-57.8	175.6	0	0	0	110.5	L373 S375 D381 R382	L373-I378 HydrophobicContact CD1-CB 4.18Å; L373-I378 HydrophobicContact CD1-CG2 3.55Å; S375-I378 PolarHBondContact O-N 3.41Å; I378-D381 PolarHBondContact O-N 2.93Å; I378-R382 WeakPolarHBondContact O-CG 3.35Å; I378-R382 PolarHBondContact O-N 3.26Å
379	L	97.2	Very high	96.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.6	-44.1	176.5	-70.1	176	0	0	0	112.4	L373 S375 R376 N377 D381 R382 H383 M644 H710 M724	L373-L379 HydrophobicContact CB-CD2 4.1Å; L373-L379 HydrophobicContact CB-CG 4.25Å; L373-L379 HydrophobicContact CD1-CD2 4.06Å; S375-L379 WeakPolarHBondContact O-CG 3.47Å; S375-L379 PolarHBondContact O-N 2.93Å; S375-L379 VanDerWaalsContact O-N 3.1Å; R376-L379 PolarHBondContact O-N 3.35Å; N377-L379 VanDerWaalsContact C-N 3.3Å; N377-L379 PolarHBondContact O-N 2.82Å; L379-D381 VanDerWaalsContact C-N 3.3Å; L379-D381 PolarHBondContact O-N 3.17Å; L379-R382 PolarHBondContact O-N 3.39Å; L379-H383 WeakPolarHBondContact O-CB 3.48Å; L379-H383 PolarHBondContact O-N 2.93Å; L379-H383 PolarHBondContact O-ND1 3.42Å; L379-H383 VanDerWaalsContact O-ND1 3.14Å; L379-M644 HydrophobicContact CD1-CE 4.09Å; L379-H710 WeakPolarHBondContact CD2-O 3.39Å; L379-M724 HydrophobicContact CD1-CE 3.68Å; L379-M724 HydrophobicContact CD1-SD 3.77Å
380	N	96.5	Very high	96.3	Very high	32 Å²	32	32.1 Å²	32.1	17%	0.171	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-39.5	175.8	-76.5	-28.7	0	0	0	112.1	R376 N377 H383 N384	R376-N380 PolarHBondContact NH1-ND2 2.71Å; R376-N380 WeakPolarHBondContact O-CB 3.37Å; R376-N380 VanDerWaalsContact O-CG 3.31Å; R376-N380 PolarHBondContact O-N 2.9Å; R376-N380 PolarHBondContact O-ND2 3.17Å; N377-N380 PolarHBondContact O-N 3.2Å; N380-H383 PolarHBondContact O-N 3.17Å; N380-N384 VanDerWaalsContact O-CB 3.28Å; N380-N384 WeakPolarHBondContact O-CB 3.27Å; N380-N384 PolarHBondContact O-N 3.22Å; N380-N384 PolarHBondContact O-ND2 3.48Å
381	D	97.2	Very high	96.5	Very high	54 Å²	54	36.3 Å²	36.3	29%	0.289	18%	0.18	S	C	.	.	H	α-helix	trans	-61.8	-46.3	175.1	-69.6	-25.9	0	0	0	111.2	N377 I378 L379 N384 I385 T451 V455	N377-D381 PolarHBondContact O-N 3.29Å; I378-D381 PolarHBondContact O-N 2.93Å; L379-D381 VanDerWaalsContact C-N 3.3Å; L379-D381 PolarHBondContact O-N 3.17Å; D381-N384 PolarHBondContact O-N 3.45Å; D381-I385 WeakPolarHBondContact O-CD1 3.3Å; D381-I385 VanDerWaalsContact O-CG1 3.26Å; D381-I385 WeakPolarHBondContact O-CG1 3.38Å; D381-I385 PolarHBondContact O-N 3.13Å; D381-T451 HydrophobicContact CB-CG2 3.97Å; D381-V455 HydrophobicContact CB-CG2 4.2Å
382	R	97.9	Very high	96.6	Very high	20 Å²	20	37.4 Å²	37.4	8%	0.075	19%	0.189	C	C	.	.	H	α-helix	trans	-58.8	-50.2	174.4	-67.8	-173.1	177.6	179	-1	111.5	W368 I378 L379 N384 I385 V386 L625 I711	W368-R382 VanDerWaalsContact CZ2-NH2 3.26Å; I378-R382 WeakPolarHBondContact O-CG 3.35Å; I378-R382 PolarHBondContact O-N 3.26Å; L379-R382 PolarHBondContact O-N 3.39Å; R382-N384 VanDerWaalsContact C-N 3.31Å; R382-N384 PolarHBondContact O-N 3.08Å; R382-I385 PolarHBondContact O-N 2.95Å; R382-V386 WeakPolarHBondContact O-CG2 3.33Å; R382-V386 PolarHBondContact O-N 2.82Å; R382-L625 HydrophobicContact CB-CD2 3.89Å; R382-L625 HydrophobicContact CG-CD2 3.92Å; R382-I711 PolarHBondContact NH1-O 3.46Å
383	H	97.8	Very high	96.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-38.3	179.2	-65.3	146.7	0	0	0	112.5	L379 N380 Q387 R641 G712 F714	L379-H383 WeakPolarHBondContact O-CB 3.48Å; L379-H383 PolarHBondContact O-N 2.93Å; L379-H383 PolarHBondContact O-ND1 3.42Å; L379-H383 VanDerWaalsContact O-ND1 3.14Å; N380-H383 PolarHBondContact O-N 3.17Å; H383-Q387 WeakPolarHBondContact O-CB 3.4Å; H383-Q387 PolarHBondContact O-N 2.96Å; H383-R641 HydrophobicContact CB-CG 4.39Å; H383-G712 VanDerWaalsContact CD2-C 3.48Å; H383-G712 PolarHBondContact CD2-O 3.05Å; H383-G712 VanDerWaalsContact CD2-O 3.28Å; H383-G712 WeakPolarHBondContact NE2-CA 3.47Å; H383-F714 HydrophobicContact CB-CE1 4.34Å
384	N	97.8	Very high	96.5	Very high	43 Å²	43	44.3 Å²	44.3	23%	0.23	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-46.2	175.8	-77.6	-23.5	0	0	0	111.4	N380 D381 R382 Q387 C388 T451 R641	N380-N384 VanDerWaalsContact O-CB 3.28Å; N380-N384 WeakPolarHBondContact O-CB 3.27Å; N380-N384 PolarHBondContact O-N 3.22Å; N380-N384 PolarHBondContact O-ND2 3.48Å; D381-N384 PolarHBondContact O-N 3.45Å; R382-N384 VanDerWaalsContact C-N 3.31Å; R382-N384 PolarHBondContact O-N 3.08Å; N384-Q387 WeakPolarHBondContact O-CB 3.31Å; N384-Q387 PolarHBondContact O-N 3.26Å; N384-C388 PolarHBondContact O-N 3.5Å; N384-C388 PolarHBondContact O-SG 3.02Å; N384-T451 HydrophobicContact CB-CG2 4.19Å; N384-R641 PolarHBondContact OD1-NH1 3.12Å; N384-R641 PolarHBondContact OD1-NH2 3.43Å
385	I	97.8	Very high	96.5	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-64.7	-45.1	179.6	-63.8	157.8	0	0	0	110.4	D381 R382 Q387 C388 L389 T451 I452 V455 I456 L625	D381-I385 WeakPolarHBondContact O-CD1 3.3Å; D381-I385 VanDerWaalsContact O-CG1 3.26Å; D381-I385 WeakPolarHBondContact O-CG1 3.38Å; D381-I385 PolarHBondContact O-N 3.13Å; R382-I385 PolarHBondContact O-N 2.95Å; I385-Q387 VanDerWaalsContact C-N 3.33Å; I385-Q387 PolarHBondContact O-N 3.03Å; I385-C388 PolarHBondContact O-N 2.88Å; I385-L389 HydrophobicContact CG2-CD1 4.11Å; I385-L389 WeakPolarHBondContact O-CG 3.49Å; I385-L389 PolarHBondContact O-N 3.03Å; I385-L389 VanDerWaalsContact O-N 3.08Å; I385-T451 HydrophobicContact CD1-CG2 4.27Å; I385-T451 HydrophobicContact CG1-CG2 4.06Å; I385-I452 HydrophobicContact CG1-CG1 4.09Å; I385-I452 HydrophobicContact CG2-CG1 4.42Å; I385-V455 HydrophobicContact CD1-CB 4.25Å; I385-V455 HydrophobicContact CD1-CG1 4.03Å; I385-I456 HydrophobicContact CD1-CD1 3.95Å; I385-I456 HydrophobicContact CD1-CG1 4.15Å; I385-I456 HydrophobicContact CG1-CD1 4.38Å; I385-I456 HydrophobicContact CG2-CD1 3.9Å; I385-L625 HydrophobicContact CB-CD1 4.28Å; I385-L625 HydrophobicContact CD1-CD1 3.85Å; I385-L625 HydrophobicContact CG2-CB 4.25Å; I385-L625 HydrophobicContact CG2-CD1 3.92Å
386	V	97.9	Very high	96.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-43.5	176.3	173.3	0	0	0	0	111.1	R382 C388 L389 L390 L625 F628 A629 F714	R382-V386 WeakPolarHBondContact O-CG2 3.33Å; R382-V386 PolarHBondContact O-N 2.82Å; V386-C388 PolarHBondContact O-N 2.88Å; V386-L389 PolarHBondContact O-N 3.35Å; V386-L390 HydrophobicContact CG1-CD1 3.93Å; V386-L390 HydrophobicContact CG1-CG 4.41Å; V386-L390 WeakPolarHBondContact O-CG 3.22Å; V386-L390 PolarHBondContact O-N 3.46Å; V386-L625 HydrophobicContact CG2-CD2 4.13Å; V386-F628 HydrophobicContact CG1-CB 4.45Å; V386-F628 HydrophobicContact CG2-CB 3.84Å; V386-F628 HydrophobicContact CG2-CD2 4.32Å; V386-A629 HydrophobicContact CG1-CB 4.21Å; V386-F714 HydrophobicContact CB-CD1 4.38Å; V386-F714 HydrophobicContact CB-CE1 3.93Å; V386-F714 HydrophobicContact CB-CZ 4.44Å; V386-F714 HydrophobicContact CG1-CD1 3.77Å; V386-F714 HydrophobicContact CG1-CE1 3.65Å; V386-F714 HydrophobicContact CG1-CE2 4.47Å; V386-F714 HydrophobicContact CG1-CG 4.23Å; V386-F714 HydrophobicContact CG1-CZ 4.01Å
387	Q	97.6	Very high	96.5	Very high	50 Å²	50	41.2 Å²	41.2	23%	0.234	22%	0.216	C	C	.	.	H	α-helix	trans	-57.3	-48.8	175.3	-175.2	65.9	37.3	0	0	111.8	H383 N384 I385 L389 L390 E391 F714	H383-Q387 WeakPolarHBondContact O-CB 3.4Å; H383-Q387 PolarHBondContact O-N 2.96Å; N384-Q387 WeakPolarHBondContact O-CB 3.31Å; N384-Q387 PolarHBondContact O-N 3.26Å; I385-Q387 VanDerWaalsContact C-N 3.33Å; I385-Q387 PolarHBondContact O-N 3.03Å; Q387-L389 VanDerWaalsContact C-N 3.28Å; Q387-L389 PolarHBondContact O-N 3.49Å; Q387-L390 PolarHBondContact O-N 2.95Å; Q387-E391 WeakPolarHBondContact CG-OE1 3.43Å; Q387-E391 PolarHBondContact NE2-OE1 2.88Å; Q387-E391 WeakPolarHBondContact O-CG 3.45Å; Q387-E391 PolarHBondContact O-N 2.75Å; Q387-F714 HydrophobicContact CB-CZ 3.98Å; Q387-F714 VanDerWaalsContact OE1-CE2 3.31Å
388	C	97.4	Very high	96.5	Very high	13 Å²	13	38.2 Å²	38.2	9%	0.088	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-38.8	-179.8	-63.7	0	0	0	0	112.2	N384 I385 V386 E391 S392 N449 I452	N384-C388 PolarHBondContact O-N 3.5Å; N384-C388 PolarHBondContact O-SG 3.02Å; I385-C388 PolarHBondContact O-N 2.88Å; V386-C388 PolarHBondContact O-N 2.88Å; C388-E391 PolarHBondContact O-N 2.78Å; C388-S392 PolarHBondContact O-N 2.93Å; C388-N449 PolarHBondContact SG-ND2 3.26Å; C388-I452 HydrophobicContact CB-CD1 3.76Å
389	L	97	Very high	96.6	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-69.2	-37.4	177.2	-68.5	170.6	0	0	0	112.2	I385 V386 Q387 E391 S392 L399 L447 V626 A629	I385-L389 HydrophobicContact CG2-CD1 4.11Å; I385-L389 WeakPolarHBondContact O-CG 3.49Å; I385-L389 PolarHBondContact O-N 3.03Å; I385-L389 VanDerWaalsContact O-N 3.08Å; V386-L389 PolarHBondContact O-N 3.35Å; Q387-L389 VanDerWaalsContact C-N 3.28Å; Q387-L389 PolarHBondContact O-N 3.49Å; L389-E391 VanDerWaalsContact C-N 3.34Å; L389-S392 CarbonylContact O-C 3.49Å; L389-S392 VanDerWaalsContact O-C 3.3Å; L389-S392 PolarHBondContact O-N 2.98Å; L389-L399 HydrophobicContact CD2-CD1 3.85Å; L389-L447 HydrophobicContact CD2-CD1 4.16Å; L389-V626 HydrophobicContact CD1-CG2 3.97Å; L389-A629 HydrophobicContact CB-CB 3.83Å; L389-A629 HydrophobicContact CD1-CB 4.4Å
390	L	96.3	Very high	96.5	Very high	43 Å²	43	35.4 Å²	35.4	23%	0.225	19%	0.188	C	C	.	.	H	α-helix	trans	-66.8	-35.5	175.3	-75.7	170.5	0	0	0	112.5	V386 Q387 S392 A629 A632 R633 F714	V386-L390 HydrophobicContact CG1-CD1 3.93Å; V386-L390 HydrophobicContact CG1-CG 4.41Å; V386-L390 WeakPolarHBondContact O-CG 3.22Å; V386-L390 PolarHBondContact O-N 3.46Å; Q387-L390 PolarHBondContact O-N 2.95Å; L390-S392 VanDerWaalsContact C-N 3.26Å; L390-S392 PolarHBondContact O-N 2.74Å; L390-A629 HydrophobicContact CD2-CB 4.23Å; L390-A629 VanDerWaalsContact CD2-O 3.23Å; L390-A629 WeakPolarHBondContact CD2-O 3.39Å; L390-A629 HydrophobicContact CG-CB 4.11Å; L390-A632 HydrophobicContact CD1-CB 4.16Å; L390-A632 HydrophobicContact CD2-CB 4.23Å; L390-R633 HydrophobicContact CD2-CB 3.9Å; L390-F714 HydrophobicContact CD1-CD2 3.54Å; L390-F714 HydrophobicContact CD1-CE2 3.28Å; L390-F714 HydrophobicContact CD1-CG 4.42Å; L390-F714 HydrophobicContact CD1-CZ 3.97Å
391	E	96.1	Very high	96.4	Very high	129 Å²	129	37.6 Å²	37.6	60%	0.603	20%	0.199	S	C	*	.	H	α-helix	trans	-72.7	-18.5	175.6	-71.3	170.3	-178.1	0	0	112.9	Q387 C388 L389 P393	Q387-E391 WeakPolarHBondContact CG-OE1 3.43Å; Q387-E391 PolarHBondContact NE2-OE1 2.88Å; Q387-E391 WeakPolarHBondContact O-CG 3.45Å; Q387-E391 PolarHBondContact O-N 2.75Å; C388-E391 PolarHBondContact O-N 2.78Å; L389-E391 VanDerWaalsContact C-N 3.34Å; E391-P393 WeakPolarHBondContact O-CD 3.31Å
392	S	96.1	Very high	96.3	Very high	39 Å²	39	38.6 Å²	38.6	27%	0.273	20%	0.204	S	C	.	.			trans	-124.9	72.3	-178.9	-62.8	0	0	0	0	112	C388 L389 L390 D394 T395 M396 L447	C388-S392 PolarHBondContact O-N 2.93Å; L389-S392 CarbonylContact O-C 3.49Å; L389-S392 VanDerWaalsContact O-C 3.3Å; L389-S392 PolarHBondContact O-N 2.98Å; L390-S392 VanDerWaalsContact C-N 3.26Å; L390-S392 PolarHBondContact O-N 2.74Å; S392-D394 VanDerWaalsContact C-N 3.32Å; S392-D394 PolarHBondContact O-N 3.46Å; S392-T395 WeakPolarHBondContact O-CB 3.38Å; S392-T395 PolarHBondContact O-N 3.4Å; S392-M396 PolarHBondContact O-N 2.9Å; S392-M396 VanDerWaalsContact O-N 3.13Å; S392-L447 VanDerWaalsContact OG-CD2 3.26Å; S392-L447 WeakPolarHBondContact OG-CD2 3.25Å
393	P	93.8	Very high	96.2	Very high	41 Å²	41	40.1 Å²	40.1	27%	0.266	21%	0.21	S	C	.	.	H	α-helix	trans	-60.5	-36.9	-173.3	22.8	-33.4	0	0	0	113.8	E391 T395 M396 E397 R633	E391-P393 WeakPolarHBondContact O-CD 3.31Å; P393-T395 PolarHBondContact O-N 3.35Å; P393-M396 PolarHBondContact O-N 3.32Å; P393-E397 WeakPolarHBondContact O-CG 3.2Å; P393-E397 PolarHBondContact O-N 3.44Å; P393-R633 VanDerWaalsContact CB-NH1 3.26Å
394	D	95.1	Very high	96.1	Very high	123 Å²	123	40.1 Å²	40.1	66%	0.658	21%	0.21	S	C	*	.	H	α-helix	trans	-63.8	-41.2	178.8	-64.2	-22.1	0	0	0	111.6	S392 E397 T398	S392-D394 VanDerWaalsContact C-N 3.32Å; S392-D394 PolarHBondContact O-N 3.46Å; D394-E397 PolarHBondContact O-N 3.34Å; D394-T398 WeakPolarHBondContact O-CB 3.48Å; D394-T398 PolarHBondContact O-N 2.89Å; D394-T398 PolarHBondContact O-OG1 2.81Å
395	T	94.9	Very high	96	Very high	20 Å²	20	44.7 Å²	44.7	12%	0.123	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-47	174.5	-65.8	0	0	0	0	110.7	S392 P393 E397 T398 L399 V443 L447	S392-T395 WeakPolarHBondContact O-CB 3.38Å; S392-T395 PolarHBondContact O-N 3.4Å; P393-T395 PolarHBondContact O-N 3.35Å; T395-E397 PolarHBondContact O-N 2.88Å; T395-T398 PolarHBondContact O-N 3.22Å; T395-L399 HydrophobicContact CG2-CD1 3.95Å; T395-L399 HydrophobicContact CG2-CG 4.44Å; T395-L399 WeakPolarHBondContact O-CB 3.21Å; T395-L399 VanDerWaalsContact O-CG 3.26Å; T395-L399 WeakPolarHBondContact O-CG 3.37Å; T395-L399 PolarHBondContact O-N 3.03Å; T395-V443 HydrophobicContact CG2-CG1 3.47Å; T395-V443 VanDerWaalsContact CG2-CG1 3.47Å; T395-L447 HydrophobicContact CG2-CD1 3.95Å; T395-L447 HydrophobicContact CG2-CD2 3.85Å; T395-L447 HydrophobicContact CG2-CG 4.05Å
396	M	95.1	Very high	95.8	Very high	5 Å²	5	52 Å²	52	3%	0.025	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-44.8	178	-177.1	-172.8	63.6	0	0	112	S392 P393 L399 S400 V626 A629 I630	S392-M396 PolarHBondContact O-N 2.9Å; S392-M396 VanDerWaalsContact O-N 3.13Å; P393-M396 PolarHBondContact O-N 3.32Å; M396-L399 PolarHBondContact O-N 3.37Å; M396-S400 WeakPolarHBondContact O-CB 3.09Å; M396-S400 PolarHBondContact O-N 3.2Å; M396-V626 HydrophobicContact CG-CG1 4.18Å; M396-A629 HydrophobicContact CG-CB 4.49Å; M396-A629 HydrophobicContact SD-CB 3.53Å; M396-A629 VanDerWaalsContact SD-CB 3.53Å; M396-I630 HydrophobicContact CE-CG1 4.18Å; M396-I630 HydrophobicContact CG-CG1 4.17Å; M396-I630 HydrophobicContact SD-CG1 3.73Å
397	E	94.8	Very high	95.6	Very high	84 Å²	84	52.3 Å²	52.3	39%	0.393	26%	0.258	S	S	.	.	H	α-helix	trans	-64.5	-44.1	177.6	-76.4	177.8	-152.2	0	0	111.7	P393 D394 T395 L399 S400 L401 R633	P393-E397 WeakPolarHBondContact O-CG 3.2Å; P393-E397 PolarHBondContact O-N 3.44Å; D394-E397 PolarHBondContact O-N 3.34Å; T395-E397 PolarHBondContact O-N 2.88Å; E397-L399 PolarHBondContact O-N 3.43Å; E397-S400 PolarHBondContact O-N 2.97Å; E397-L401 WeakPolarHBondContact O-CB 3.49Å; E397-L401 PolarHBondContact O-N 3.36Å; E397-R633 IonicContact OE1-CZ 3.88Å; E397-R633 IonicContact OE1-NH1 3.71Å; E397-R633 PolarHBondContact OE1-NH1 3.14Å; E397-R633 IonicContact OE1-NH2 3.86Å
398	T	96.8	Very high	95.3	Very high	43 Å²	43	50.8 Å²	50.8	26%	0.264	25%	0.252	S	S	.	.	I	π-helix	trans	-59.5	-46.8	175.6	-58.4	0	0	0	0	111.2	D394 T395 D402 Y403 V443	D394-T398 WeakPolarHBondContact O-CB 3.48Å; D394-T398 PolarHBondContact O-N 2.89Å; D394-T398 PolarHBondContact O-OG1 2.81Å; T395-T398 PolarHBondContact O-N 3.22Å; T398-D402 WeakPolarHBondContact O-CB 3.08Å; T398-D402 PolarHBondContact O-N 3.04Å; T398-D402 VanDerWaalsContact O-N 3.12Å; T398-Y403 HydrophobicContact CG2-CD2 3.99Å; T398-Y403 HydrophobicContact CG2-CE2 3.6Å; T398-Y403 PolarHBondContact O-N 3.42Å; T398-V443 HydrophobicContact CG2-CG2 4.44Å
399	L	96.7	Very high	94.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.255	C	S	.	.	I	π-helix	trans	-59.4	-49.5	176.4	-72.8	170.5	0	0	0	111.3	L389 T395 M396 E397 L404 I440 V443 L444 V626	L389-L399 HydrophobicContact CD2-CD1 3.85Å; T395-L399 HydrophobicContact CG2-CD1 3.95Å; T395-L399 HydrophobicContact CG2-CG 4.44Å; T395-L399 WeakPolarHBondContact O-CB 3.21Å; T395-L399 VanDerWaalsContact O-CG 3.26Å; T395-L399 WeakPolarHBondContact O-CG 3.37Å; T395-L399 PolarHBondContact O-N 3.03Å; M396-L399 PolarHBondContact O-N 3.37Å; E397-L399 PolarHBondContact O-N 3.43Å; L399-L404 WeakPolarHBondContact O-CB 3.29Å; L399-L404 VanDerWaalsContact O-CG 3.28Å; L399-L404 WeakPolarHBondContact O-CG 3.32Å; L399-L404 PolarHBondContact O-N 3.06Å; L399-I440 HydrophobicContact CD2-CG2 3.83Å; L399-V443 HydrophobicContact CD2-CG1 4.15Å; L399-V443 HydrophobicContact CG-CG1 4.09Å; L399-L444 HydrophobicContact CD1-CD2 3.82Å; L399-L444 HydrophobicContact CD2-CG 4.45Å; L399-V626 HydrophobicContact CB-CG2 4.35Å; L399-V626 HydrophobicContact CD1-CG2 4.22Å
400	S	96	Very high	94.6	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.014	26%	0.255	C	S	.	.	I	π-helix	trans	-69.1	-53.3	-176	-168.3	0	0	0	0	112.9	R357 M396 E397 K405 I630	R357-S400 WeakPolarHBondContact CG-O 3.38Å; R357-S400 WeakPolarHBondContact CG-OG 3.2Å; R357-S400 PolarHBondContact NE-OG 3.15Å; M396-S400 WeakPolarHBondContact O-CB 3.09Å; M396-S400 PolarHBondContact O-N 3.2Å; E397-S400 PolarHBondContact O-N 2.97Å; S400-K405 WeakPolarHBondContact O-CB 3.46Å; S400-K405 PolarHBondContact O-N 3.1Å; S400-I630 WeakPolarHBondContact OG-CD1 3.4Å
401	L	95.3	Very high	94.1	Very high	78 Å²	78	49.8 Å²	49.8	41%	0.408	25%	0.246	S	C	.	.	I	π-helix	trans	-87.4	-34.7	-167.3	-61.2	179.4	0	0	0	113.3	E397	E397-L401 WeakPolarHBondContact O-CB 3.49Å; E397-L401 PolarHBondContact O-N 3.36Å
402	D	94.8	Very high	93.5	Very high	75 Å²	75	45 Å²	45	40%	0.401	22%	0.224	S	C	.	.	I	π-helix	trans	-97.1	-39.7	-174.6	-66.6	-31.1	0	0	0	113.2	T398 R406	T398-D402 WeakPolarHBondContact O-CB 3.08Å; T398-D402 PolarHBondContact O-N 3.04Å; T398-D402 VanDerWaalsContact O-N 3.12Å; D402-R406 WeakPolarHBondContact O-CD 3.13Å; D402-R406 WeakPolarHBondContact O-CG 3.37Å; D402-R406 PolarHBondContact O-NE 3.41Å; D402-R406 VanDerWaalsContact O-NE 3.12Å
403	Y	96	Very high	93.1	Very high	51 Å²	51	43.5 Å²	43.5	20%	0.2	21%	0.213	C	C	.	.	I	π-helix	trans	-99.3	-64.9	-174.9	-64.3	-56.6	0	0	0	113.9	T398 K405 R406 R436 K439 I440 V443	T398-Y403 HydrophobicContact CG2-CD2 3.99Å; T398-Y403 HydrophobicContact CG2-CE2 3.6Å; T398-Y403 PolarHBondContact O-N 3.42Å; Y403-K405 PolarHBondContact O-N 3.36Å; Y403-R406 PolarHBondContact O-N 3.08Å; Y403-R436 HydrophobicContact CD1-CG 3.72Å; Y403-R436 HydrophobicContact CE1-CG 4.5Å; Y403-R436 WeakPolarHBondContact O-CD 3.35Å; Y403-K439 HydrophobicContact CD1-CB 4.41Å; Y403-K439 HydrophobicContact CE1-CB 3.66Å; Y403-K439 HydrophobicContact CE1-CD 4.04Å; Y403-K439 HydrophobicContact CE1-CG 4.5Å; Y403-I440 HydrophobicContact CD1-CG1 4.43Å; Y403-I440 HydrophobicContact CD2-CG1 4.27Å; Y403-I440 HydrophobicContact CG-CG1 3.88Å; Y403-V443 HydrophobicContact CE2-CG2 3.88Å
404	L	96	Very high	92.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-60.8	-42.5	-172.7	-68.8	170.7	0	0	0	111.9	R357 T358 L399 R406 I407 L619 L622 D623 V626	R357-L404 HydrophobicContact CB-CB 3.91Å; R357-L404 HydrophobicContact CG-CB 4.41Å; T358-L404 HydrophobicContact CG2-CB 4.36Å; T358-L404 WeakPolarHBondContact CG2-O 3.49Å; L399-L404 WeakPolarHBondContact O-CB 3.29Å; L399-L404 VanDerWaalsContact O-CG 3.28Å; L399-L404 WeakPolarHBondContact O-CG 3.32Å; L399-L404 PolarHBondContact O-N 3.06Å; L404-R406 PolarHBondContact O-N 3.07Å; L404-I407 HydrophobicContact CD2-CD1 3.9Å; L404-I407 WeakPolarHBondContact O-CB 3.5Å; L404-I407 PolarHBondContact O-N 3.32Å; L404-L619 HydrophobicContact CD2-CD2 4.48Å; L404-L622 HydrophobicContact CD2-CD2 4.42Å; L404-D623 HydrophobicContact CD1-CB 4.24Å; L404-D623 HydrophobicContact CD2-CB 4.35Å; L404-V626 HydrophobicContact CD1-CB 4.28Å; L404-V626 HydrophobicContact CD1-CG1 4.34Å; L404-V626 HydrophobicContact CD1-CG2 4.16Å
405	K	93.9	Very high	92.2	Very high	139 Å²	139	36.4 Å²	36.4	60%	0.604	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-55.1	-22.1	176	-174.7	177.5	179.2	-178.1	0	114.6	R357 S400 Y403	R357-K405 HydrophobicContact CB-CB 4.45Å; S400-K405 WeakPolarHBondContact O-CB 3.46Å; S400-K405 PolarHBondContact O-N 3.1Å; Y403-K405 PolarHBondContact O-N 3.36Å
406	R	93.9	Very high	91.7	Very high	155 Å²	155	38.6 Å²	38.6	59%	0.585	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-97.1	-1.1	-179.3	-57.3	-175	-169.9	-178.5	7	113.1	D402 Y403 L404 R436	D402-R406 WeakPolarHBondContact O-CD 3.13Å; D402-R406 WeakPolarHBondContact O-CG 3.37Å; D402-R406 PolarHBondContact O-NE 3.41Å; D402-R406 VanDerWaalsContact O-NE 3.12Å; Y403-R406 PolarHBondContact O-N 3.08Å; L404-R406 PolarHBondContact O-N 3.07Å; R406-R436 VanDerWaalsContact C-NH1 3.29Å; R406-R436 VanDerWaalsContact CB-CZ 3.47Å; R406-R436 PolarHBondContact O-NH1 3.12Å
407	I	94.3	Very high	91.4	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.041	18%	0.179	C	C	.	.			trans	-82.7	122.1	178	-58.6	-177	0	0	0	108.3	T358 L404 I410 V433 I440 L619	T358-I407 HydrophobicContact CG2-CB 3.88Å; T358-I407 HydrophobicContact CG2-CG2 4.28Å; L404-I407 HydrophobicContact CD2-CD1 3.9Å; L404-I407 WeakPolarHBondContact O-CB 3.5Å; L404-I407 PolarHBondContact O-N 3.32Å; I407-I410 HydrophobicContact CG2-CD1 3.86Å; I407-I410 HydrophobicContact CG2-CG1 4.18Å; I407-V433 HydrophobicContact CG2-CG2 4.28Å; I407-I440 HydrophobicContact CD1-CD1 3.92Å; I407-L619 HydrophobicContact CD1-CD1 3.97Å; I407-L619 HydrophobicContact CD1-CD2 3.64Å; I407-L619 HydrophobicContact CD1-CG 4.34Å; I407-L619 HydrophobicContact CG2-CD1 4.21Å
408	P	91.9	Very high	90.9	Very high	17 Å²	17	35.3 Å²	35.3	11%	0.11	17%	0.165	C	C	.	.			trans	-72.7	174.8	173.9	34.9	-35.8	0	0	0	111.1	I410 L413 V433	P408-I410 PolarHBondContact O-N 3.19Å; P408-L413 HydrophobicContact CB-CD1 3.96Å; P408-L413 HydrophobicContact CG-CD1 3.66Å; P408-V433 HydrophobicContact CG-CG2 3.74Å
409	D	88.3	Confident	90.1	Very high	28 Å²	28	35.9 Å²	35.9	15%	0.15	16%	0.162	C	C	.	.			trans	-68.9	98.2	170.4	-164.9	-33.1	0	0	0	110.2	P359 R363 L411 M412 L413	P359-D409 HydrophobicContact CB-CB 4.13Å; P359-D409 VanDerWaalsContact CB-OD2 3.31Å; P359-D409 WeakPolarHBondContact CB-OD2 3.39Å; P359-D409 HydrophobicContact CG-CB 4.04Å; R363-D409 IonicContact CZ-OD1 2.9Å; R363-D409 IonicContact CZ-OD2 3.96Å; R363-D409 IonicContact NH1-OD1 3.36Å; R363-D409 IonicContact NH1-OD2 3.84Å; R363-D409 PolarHBondContact NH1-OD2 2.82Å; R363-D409 IonicContact NH2-OD1 2.78Å; R363-D409 PolarHBondContact NH2-OD1 3.25Å; R363-D409 IonicContact NH2-OD2 3.97Å; R363-D409 PolarHBondContact NH2-OD2 3.25Å; D409-L411 VanDerWaalsContact C-N 3.32Å; D409-L411 WeakPolarHBondContact OD1-CB 3.45Å; D409-L411 PolarHBondContact OD1-N 3.47Å; D409-M412 HydrophobicContact CB-CB 4.09Å; D409-M412 HydrophobicContact CB-CG 4.1Å; D409-M412 VanDerWaalsContact CG-CG 3.42Å; D409-M412 PolarHBondContact O-N 3.22Å; D409-M412 PolarHBondContact OD1-N 2.89Å; D409-M412 VanDerWaalsContact OD1-N 3.15Å; D409-M412 WeakPolarHBondContact OD2-CG 3.4Å; D409-L413 WeakPolarHBondContact O-CG 3.36Å; D409-L413 PolarHBondContact O-N 2.96Å
410	I	91.1	Very high	89.6	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.015	19%	0.192	C	C	.	.	H	α-helix	trans	-66.6	-39.5	-176.5	-60.9	165.7	0	0	0	109.9	I407 P408 M412 L413 T414 V433 N616 L619	I407-I410 HydrophobicContact CG2-CD1 3.86Å; I407-I410 HydrophobicContact CG2-CG1 4.18Å; P408-I410 PolarHBondContact O-N 3.19Å; I410-M412 VanDerWaalsContact C-N 3.33Å; I410-M412 PolarHBondContact O-N 3.17Å; I410-L413 PolarHBondContact O-N 3.33Å; I410-T414 WeakPolarHBondContact O-CB 3.21Å; I410-T414 PolarHBondContact O-N 3.12Å; I410-T414 PolarHBondContact O-OG1 2.92Å; I410-V433 HydrophobicContact CD1-CG1 3.73Å; I410-V433 HydrophobicContact CD1-CG2 4.5Å; I410-V433 HydrophobicContact CG1-CG1 4.32Å; I410-V433 HydrophobicContact CG1-CG2 4.27Å; I410-N616 HydrophobicContact CB-CB 4Å; I410-N616 HydrophobicContact CG2-CB 3.94Å; I410-L619 HydrophobicContact CD1-CD1 3.35Å
411	L	85.5	Confident	89.1	Confident	5 Å²	5	51 Å²	51	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-59	-45.3	179.9	-168.4	61.8	0	0	0	111.5	N192 D409 T414 K415 N616	N192-L411 HydrophobicContact CB-CD2 3.93Å; N192-L411 WeakPolarHBondContact O-CD1 3.29Å; D409-L411 VanDerWaalsContact C-N 3.32Å; D409-L411 WeakPolarHBondContact OD1-CB 3.45Å; D409-L411 PolarHBondContact OD1-N 3.47Å; L411-T414 PolarHBondContact O-N 3.29Å; L411-K415 WeakPolarHBondContact O-CG 3.34Å; L411-K415 PolarHBondContact O-N 2.98Å; L411-N616 PolarHBondContact N-OD1 3.28Å
412	M	83.6	Confident	88.7	Confident	29 Å²	29	47.8 Å²	47.8	14%	0.143	21%	0.208	C	C	.	.	H	α-helix	trans	-66.6	-40.5	177.8	-67.2	-63.1	103.5	0	0	112.5	L164 D409 I410 K415 K416	L164-M412 HydrophobicContact CD1-CE 4.46Å; D409-M412 HydrophobicContact CB-CB 4.09Å; D409-M412 HydrophobicContact CB-CG 4.1Å; D409-M412 VanDerWaalsContact CG-CG 3.42Å; D409-M412 PolarHBondContact O-N 3.22Å; D409-M412 PolarHBondContact OD1-N 2.89Å; D409-M412 VanDerWaalsContact OD1-N 3.15Å; D409-M412 WeakPolarHBondContact OD2-CG 3.4Å; I410-M412 VanDerWaalsContact C-N 3.33Å; I410-M412 PolarHBondContact O-N 3.17Å; M412-K415 HydrophobicContact CE-CD 4Å; M412-K415 PolarHBondContact O-N 3.24Å; M412-K416 WeakPolarHBondContact O-CG 3.36Å; M412-K416 PolarHBondContact O-N 3.16Å
413	L	88.4	Confident	88.5	Confident	8 Å²	8	47.7 Å²	47.7	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-43.6	175.7	-68.4	172.9	0	0	0	111.5	P408 D409 I410 K415 K416 L417 D426 R429 I430	P408-L413 HydrophobicContact CB-CD1 3.96Å; P408-L413 HydrophobicContact CG-CD1 3.66Å; D409-L413 WeakPolarHBondContact O-CG 3.36Å; D409-L413 PolarHBondContact O-N 2.96Å; I410-L413 PolarHBondContact O-N 3.33Å; L413-K415 VanDerWaalsContact C-N 3.33Å; L413-K415 PolarHBondContact O-N 2.79Å; L413-K416 PolarHBondContact O-N 3.39Å; L413-L417 WeakPolarHBondContact O-CB 3.44Å; L413-L417 PolarHBondContact O-N 3.41Å; L413-D426 HydrophobicContact CD2-CB 3.93Å; L413-R429 HydrophobicContact CD1-CB 3.96Å; L413-I430 HydrophobicContact CB-CD1 4.11Å; L413-I430 HydrophobicContact CB-CG1 3.95Å; L413-I430 HydrophobicContact CD1-CG1 4.06Å
414	T	88.3	Confident	88.3	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-61.8	-40.1	176.4	-60	0	0	0	0	111.4	I410 L411 L417 M418 A609 L612	I410-T414 WeakPolarHBondContact O-CB 3.21Å; I410-T414 PolarHBondContact O-N 3.12Å; I410-T414 PolarHBondContact O-OG1 2.92Å; L411-T414 PolarHBondContact O-N 3.29Å; T414-L417 WeakPolarHBondContact O-CB 3.34Å; T414-L417 PolarHBondContact O-N 3.02Å; T414-M418 HydrophobicContact CG2-SD 4Å; T414-M418 VanDerWaalsContact O-CG 3.26Å; T414-M418 WeakPolarHBondContact O-CG 3.46Å; T414-M418 PolarHBondContact O-N 3.37Å; T414-A609 HydrophobicContact CG2-CB 3.83Å; T414-L612 HydrophobicContact CG2-CB 4.29Å; T414-L612 WeakPolarHBondContact OG1-CB 3.32Å
415	K	81.5	Confident	88.2	Confident	13 Å²	13	49.5 Å²	49.5	6%	0.057	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-45.4	173.7	-79.1	-164.9	179.2	-166.6	0	113.5	E154 Q191 N192 L411 M412 L413 L417 M418 R419	E154-K415 IonicContact OE1-NZ 3.84Å; E154-K415 PolarHBondContact OE1-NZ 3.1Å; Q191-K415 WeakPolarHBondContact O-CE 3.35Å; Q191-K415 PolarHBondContact O-NZ 2.84Å; N192-K415 VanDerWaalsContact CA-CE 3.45Å; N192-K415 WeakPolarHBondContact O-CE 3.48Å; N192-K415 PolarHBondContact OD1-NZ 3.28Å; L411-K415 WeakPolarHBondContact O-CG 3.34Å; L411-K415 PolarHBondContact O-N 2.98Å; M412-K415 HydrophobicContact CE-CD 4Å; M412-K415 PolarHBondContact O-N 3.24Å; L413-K415 VanDerWaalsContact C-N 3.33Å; L413-K415 PolarHBondContact O-N 2.79Å; K415-L417 PolarHBondContact O-N 2.92Å; K415-M418 PolarHBondContact O-N 2.66Å; K415-R419 PolarHBondContact O-N 3.32Å
416	K	84	Confident	88.2	Confident	66 Å²	66	43.5 Å²	43.5	29%	0.287	19%	0.192	S	C	.	.	H	α-helix	trans	-57.9	-38.3	176.2	-74.3	-170.4	176.4	-154.2	0	111.1	D155 M412 L413 R420 K421 A422	D155-K416 WeakPolarHBondContact OD1-CE 3.12Å; D155-K416 IonicContact OD1-NZ 3.77Å; D155-K416 PolarHBondContact OD1-NZ 3.31Å; M412-K416 WeakPolarHBondContact O-CG 3.36Å; M412-K416 PolarHBondContact O-N 3.16Å; L413-K416 PolarHBondContact O-N 3.39Å; K416-R420 PolarHBondContact O-N 3.07Å; K416-K421 PolarHBondContact O-N 3.38Å; K416-A422 HydrophobicContact CB-CB 4.16Å; K416-A422 PolarHBondContact O-N 3.21Å; K416-A422 VanDerWaalsContact O-N 3.12Å
417	L	87.9	Confident	88.2	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-63.1	-52.2	175.1	-171.8	68.8	0	0	0	111.3	L413 T414 K415 R419 R420 A422 I430 I602 A605 V606 L612	L413-L417 WeakPolarHBondContact O-CB 3.44Å; L413-L417 PolarHBondContact O-N 3.41Å; T414-L417 WeakPolarHBondContact O-CB 3.34Å; T414-L417 PolarHBondContact O-N 3.02Å; K415-L417 PolarHBondContact O-N 2.92Å; L417-R419 VanDerWaalsContact C-N 3.29Å; L417-R419 PolarHBondContact O-N 3.22Å; L417-R420 WeakPolarHBondContact O-CA 3.43Å; L417-R420 PolarHBondContact O-N 3.31Å; L417-A422 HydrophobicContact CB-CB 4.36Å; L417-A422 HydrophobicContact CD1-CB 4.24Å; L417-I430 HydrophobicContact CD2-CD1 4.43Å; L417-I602 HydrophobicContact CD1-CD1 3.99Å; L417-I602 HydrophobicContact CD1-CG2 3.95Å; L417-A605 HydrophobicContact CD1-CB 3.55Å; L417-A605 HydrophobicContact CD2-CB 4.01Å; L417-A605 WeakPolarHBondContact CD2-O 3.41Å; L417-A605 HydrophobicContact CG-CB 4.29Å; L417-V606 HydrophobicContact CG-CG2 4.08Å; L417-V606 WeakPolarHBondContact O-CG2 3.21Å; L417-L612 HydrophobicContact CD2-CD1 4.17Å
418	M	84	Confident	88.2	Confident	20 Å²	20	36.9 Å²	36.9	10%	0.099	17%	0.168	C	C	.	.	H	α-helix	trans	-58.4	-37.5	178.6	-66.4	161.2	73.1	0	0	113	H307 T414 K415 R420 A609	H307-M418 HydrophobicContact CB-CE 3.41Å; H307-M418 VanDerWaalsContact CB-CE 3.41Å; H307-M418 WeakPolarHBondContact CD2-CE 3.47Å; T414-M418 HydrophobicContact CG2-SD 4Å; T414-M418 VanDerWaalsContact O-CG 3.26Å; T414-M418 WeakPolarHBondContact O-CG 3.46Å; T414-M418 PolarHBondContact O-N 3.37Å; K415-M418 PolarHBondContact O-N 2.66Å; M418-R420 PolarHBondContact O-N 2.73Å; M418-A609 HydrophobicContact CG-CB 3.83Å; M418-A609 HydrophobicContact SD-CB 4.1Å
419	R	81.3	Confident	88.4	Confident	54 Å²	54	40.8 Å²	40.8	20%	0.204	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-0.8	175	-67.3	-172	-171.7	140.6	17.1	114.4	E154 K415 L417 K421	E154-R419 IonicContact OE1-NH2 2.67Å; E154-R419 IonicContact OE2-CZ 2.85Å; E154-R419 VanDerWaalsContact OE2-CZ 3.24Å; E154-R419 IonicContact OE2-NH1 3.1Å; E154-R419 PolarHBondContact OE2-NH1 3.02Å; E154-R419 IonicContact OE2-NH2 3.93Å; E154-R419 PolarHBondContact OE2-NH2 2.83Å; K415-R419 PolarHBondContact O-N 3.32Å; L417-R419 VanDerWaalsContact C-N 3.29Å; L417-R419 PolarHBondContact O-N 3.22Å; R419-K421 HydrophobicContact CB-CG 4.37Å; R419-K421 PolarHBondContact O-N 2.64Å
420	R	85.4	Confident	88.7	Confident	167 Å²	167	39.7 Å²	39.7	63%	0.63	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	31	-175.1	-51.9	179.8	-179.2	-160.4	-3.9	113.2	K416 L417 M418 H603	K416-R420 PolarHBondContact O-N 3.07Å; L417-R420 WeakPolarHBondContact O-CA 3.43Å; L417-R420 PolarHBondContact O-N 3.31Å; M418-R420 PolarHBondContact O-N 2.73Å; R420-H603 PolarHBondContact NH2-CD2 2.93Å
421	K	85	Confident	89	Confident	152 Å²	152	40.5 Å²	40.5	66%	0.661	18%	0.177	S	C	*	.			trans	-107	-0.5	175.6	-69.3	-171.8	176.9	-175.6	0	112.8	K416 R419	K416-K421 PolarHBondContact O-N 3.38Å; R419-K421 HydrophobicContact CB-CG 4.37Å; R419-K421 PolarHBondContact O-N 2.64Å
422	A	88.6	Confident	89.4	Confident	12 Å²	12	43.7 Å²	43.7	10%	0.099	19%	0.192	C	C	.	.			trans	-70.3	144.6	175.4	0	0	0	0	0	111.2	K416 L417 D426 I602	K416-A422 HydrophobicContact CB-CB 4.16Å; K416-A422 PolarHBondContact O-N 3.21Å; K416-A422 VanDerWaalsContact O-N 3.12Å; L417-A422 HydrophobicContact CB-CB 4.36Å; L417-A422 HydrophobicContact CD1-CB 4.24Å; A422-D426 HydrophobicContact CB-CB 4.16Å; A422-I602 HydrophobicContact CB-CD1 4.02Å
423	N	90.4	Very high	90	Very high	73 Å²	73	42.5 Å²	42.5	39%	0.39	19%	0.186	S	C	.	.			trans	-108.7	-179.7	174.1	63.6	31.5	0	0	0	111.4	Q425 D426 L427	N423-Q425 PolarHBondContact O-N 3.41Å; N423-Q425 WeakPolarHBondContact OD1-CA 3.41Å; N423-Q425 VanDerWaalsContact OD1-CB 3.3Å; N423-Q425 WeakPolarHBondContact OD1-CB 3.18Å; N423-Q425 PolarHBondContact OD1-N 3.2Å; N423-D426 PolarHBondContact N-OD2 2.83Å; N423-D426 PolarHBondContact O-N 3.44Å; N423-D426 PolarHBondContact OD1-N 3.29Å; N423-D426 PolarHBondContact OD1-OD2 3.26Å; N423-L427 PolarHBondContact O-N 3.08Å; N423-L427 VanDerWaalsContact O-N 3.11Å
424	L	92	Very high	90.4	Very high	9 Å²	9	42.4 Å²	42.4	5%	0.047	19%	0.186	C	C	.	.	H	α-helix	trans	-64.6	-29.1	-178.9	-159.4	64.7	0	0	0	113.1	L427 F428 V478 L489 V490 V598	L424-L427 HydrophobicContact CD1-CD2 4.22Å; L424-F428 WeakPolarHBondContact O-CB 3.42Å; L424-F428 PolarHBondContact O-N 3.01Å; L424-V478 HydrophobicContact CD1-CG2 3.79Å; L424-V478 HydrophobicContact CD2-CG2 4.3Å; L424-V478 HydrophobicContact CG-CG2 4.09Å; L424-L489 WeakPolarHBondContact CD2-O 3.33Å; L424-V490 HydrophobicContact CD2-CG2 4.43Å; L424-V598 HydrophobicContact CD1-CG2 4.49Å
425	Q	93.3	Very high	90.8	Very high	80 Å²	80	45.3 Å²	45.3	37%	0.374	20%	0.201	S	C	.	.	H	α-helix	trans	-66.3	-44.2	173.7	174.7	177	22.8	0	0	111.5	N423 L427 F428 R429 Y488	N423-Q425 PolarHBondContact O-N 3.41Å; N423-Q425 WeakPolarHBondContact OD1-CA 3.41Å; N423-Q425 VanDerWaalsContact OD1-CB 3.3Å; N423-Q425 WeakPolarHBondContact OD1-CB 3.18Å; N423-Q425 PolarHBondContact OD1-N 3.2Å; Q425-L427 VanDerWaalsContact C-N 3.32Å; Q425-L427 PolarHBondContact O-N 3.06Å; Q425-F428 PolarHBondContact O-N 2.91Å; Q425-R429 WeakPolarHBondContact O-CG 3.43Å; Q425-R429 PolarHBondContact O-N 3.15Å; Q425-Y488 HydrophobicContact CB-CD1 3.79Å; Q425-Y488 HydrophobicContact CB-CD2 3.85Å; Q425-Y488 HydrophobicContact CB-CE1 3.8Å; Q425-Y488 HydrophobicContact CB-CE2 3.87Å; Q425-Y488 HydrophobicContact CB-CG 3.81Å; Q425-Y488 HydrophobicContact CG-CD1 4.32Å; Q425-Y488 HydrophobicContact CG-CD2 4.29Å; Q425-Y488 HydrophobicContact CG-CE1 3.8Å; Q425-Y488 HydrophobicContact CG-CE2 3.78Å; Q425-Y488 PolarHBondContact NE2-OH 2.99Å
426	D	92.9	Very high	91.4	Very high	13 Å²	13	46.6 Å²	46.6	7%	0.07	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-43.4	176.6	-67.1	-38.5	0	0	0	111	L413 A422 N423 F428 R429 I430	L413-D426 HydrophobicContact CD2-CB 3.93Å; A422-D426 HydrophobicContact CB-CB 4.16Å; N423-D426 PolarHBondContact N-OD2 2.83Å; N423-D426 PolarHBondContact O-N 3.44Å; N423-D426 PolarHBondContact OD1-N 3.29Å; N423-D426 PolarHBondContact OD1-OD2 3.26Å; D426-F428 PolarHBondContact O-N 3.35Å; D426-R429 WeakPolarHBondContact O-CB 3.09Å; D426-R429 PolarHBondContact O-N 3.45Å; D426-I430 PolarHBondContact O-N 2.9Å
427	L	94.3	Very high	92	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-42.6	175.5	-172.9	64.2	0	0	0	112	N423 L424 Q425 R429 I430 Y431 L470 V474 I601 I602 A605	N423-L427 PolarHBondContact O-N 3.08Å; N423-L427 VanDerWaalsContact O-N 3.11Å; L424-L427 HydrophobicContact CD1-CD2 4.22Å; Q425-L427 VanDerWaalsContact C-N 3.32Å; Q425-L427 PolarHBondContact O-N 3.06Å; L427-R429 VanDerWaalsContact C-N 3.33Å; L427-R429 PolarHBondContact O-N 3.47Å; L427-I430 WeakPolarHBondContact O-CB 3.19Å; L427-I430 PolarHBondContact O-N 3.27Å; L427-Y431 PolarHBondContact O-N 2.78Å; L427-L470 HydrophobicContact CD1-CD1 3.89Å; L427-V474 HydrophobicContact CD1-CG2 4.17Å; L427-V474 HydrophobicContact CD2-CG2 3.91Å; L427-V474 HydrophobicContact CG-CG2 3.73Å; L427-I601 HydrophobicContact CD2-CG2 3.5Å; L427-I602 HydrophobicContact CB-CD1 4.4Å; L427-A605 HydrophobicContact CD1-CB 3.93Å
428	F	94.9	Very high	92.3	Very high	22 Å²	22	46.4 Å²	46.4	10%	0.096	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-36.8	174.9	179.6	-109.6	0	0	0	112.4	L424 Q425 D426 Y431 Q432 F480 I483 Y488	L424-F428 WeakPolarHBondContact O-CB 3.42Å; L424-F428 PolarHBondContact O-N 3.01Å; Q425-F428 PolarHBondContact O-N 2.91Å; D426-F428 PolarHBondContact O-N 3.35Å; F428-Y431 AromaticContact CD2-CD1 3.82Å; F428-Y431 HydrophobicContact CD2-CD1 3.82Å; F428-Y431 HydrophobicContact CD2-CE1 4.43Å; F428-Y431 AromaticContact CE2-CD1 3.87Å; F428-Y431 HydrophobicContact CE2-CD1 3.87Å; F428-Y431 HydrophobicContact CE2-CE1 4.11Å; F428-Y431 WeakPolarHBondContact O-CB 3.46Å; F428-Y431 PolarHBondContact O-N 3.01Å; F428-Q432 HydrophobicContact CD1-CG 4.34Å; F428-Q432 HydrophobicContact CE1-CG 4.02Å; F428-Q432 HydrophobicContact CE2-CG 4.46Å; F428-Q432 HydrophobicContact CZ-CG 4.08Å; F428-Q432 WeakPolarHBondContact O-CG 3.28Å; F428-Q432 PolarHBondContact O-N 2.69Å; F428-F480 HydrophobicContact CD2-CE1 4.12Å; F428-F480 AromaticContact CE2-CD1 3.91Å; F428-F480 HydrophobicContact CE2-CD1 3.91Å; F428-F480 AromaticContact CE2-CE1 3.72Å; F428-F480 HydrophobicContact CE2-CE1 3.72Å; F428-I483 HydrophobicContact CD1-CD1 4.17Å; F428-I483 HydrophobicContact CD2-CD1 3.67Å; F428-I483 HydrophobicContact CE1-CD1 4.24Å; F428-I483 HydrophobicContact CE1-CG2 3.9Å; F428-I483 HydrophobicContact CE2-CD1 3.8Å; F428-I483 HydrophobicContact CG-CD1 3.86Å; F428-I483 HydrophobicContact CZ-CD1 4.07Å; F428-I483 HydrophobicContact CZ-CG2 4.03Å; F428-Y488 HydrophobicContact CB-CD1 4.43Å; F428-Y488 HydrophobicContact CB-CE1 4.29Å; F428-Y488 AromaticContact CD1-CE1 3.84Å; F428-Y488 HydrophobicContact CD1-CE1 3.84Å; F428-Y488 HydrophobicContact CG-CE1 4.32Å
429	R	94.8	Very high	92.9	Very high	98 Å²	98	51.1 Å²	51.1	37%	0.37	23%	0.231	S	C	.	.	H	α-helix	trans	-64	-40.4	174.2	-70.5	173.6	74.8	-174.5	4.7	112	L413 Q425 D426 L427 Y431 Q432 V433	L413-R429 HydrophobicContact CD1-CB 3.96Å; Q425-R429 WeakPolarHBondContact O-CG 3.43Å; Q425-R429 PolarHBondContact O-N 3.15Å; D426-R429 WeakPolarHBondContact O-CB 3.09Å; D426-R429 PolarHBondContact O-N 3.45Å; L427-R429 VanDerWaalsContact C-N 3.33Å; L427-R429 PolarHBondContact O-N 3.47Å; R429-Y431 VanDerWaalsContact C-N 3.35Å; R429-Q432 PolarHBondContact O-N 2.82Å; R429-V433 PolarHBondContact O-N 3.24Å
430	I	95.7	Very high	93.6	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-46.5	172.7	-66.5	170.3	0	0	0	110.1	L413 L417 D426 L427 Q432 V433 I434 L470 L612	L413-I430 HydrophobicContact CB-CD1 4.11Å; L413-I430 HydrophobicContact CB-CG1 3.95Å; L413-I430 HydrophobicContact CD1-CG1 4.06Å; L417-I430 HydrophobicContact CD2-CD1 4.43Å; D426-I430 PolarHBondContact O-N 2.9Å; L427-I430 WeakPolarHBondContact O-CB 3.19Å; L427-I430 PolarHBondContact O-N 3.27Å; I430-Q432 VanDerWaalsContact C-N 3.32Å; I430-Q432 PolarHBondContact O-N 2.68Å; I430-V433 WeakPolarHBondContact O-CB 3.33Å; I430-V433 PolarHBondContact O-N 2.92Å; I430-I434 HydrophobicContact CG2-CD1 4.12Å; I430-I434 PolarHBondContact O-N 2.96Å; I430-I434 VanDerWaalsContact O-N 3.15Å; I430-L470 HydrophobicContact CG2-CD2 3.98Å; I430-L612 HydrophobicContact CD1-CD1 4.26Å; I430-L612 HydrophobicContact CG2-CD1 4.12Å; I430-L612 HydrophobicContact CG2-CD2 3.56Å
431	Y	96.4	Very high	94.1	Very high	20 Å²	20	41.1 Å²	41.1	8%	0.078	19%	0.194	C	C	.	.	H	α-helix	trans	-57	-42.4	176.1	167	-104.2	0	0	0	113	L427 F428 R429 V433 I434 L435 K471 V474 E475 F480	L427-Y431 PolarHBondContact O-N 2.78Å; F428-Y431 AromaticContact CD2-CD1 3.82Å; F428-Y431 HydrophobicContact CD2-CD1 3.82Å; F428-Y431 HydrophobicContact CD2-CE1 4.43Å; F428-Y431 AromaticContact CE2-CD1 3.87Å; F428-Y431 HydrophobicContact CE2-CD1 3.87Å; F428-Y431 HydrophobicContact CE2-CE1 4.11Å; F428-Y431 WeakPolarHBondContact O-CB 3.46Å; F428-Y431 PolarHBondContact O-N 3.01Å; R429-Y431 VanDerWaalsContact C-N 3.35Å; Y431-V433 VanDerWaalsContact C-N 3.26Å; Y431-V433 PolarHBondContact O-N 3.5Å; Y431-I434 PolarHBondContact O-N 3.38Å; Y431-I434 VanDerWaalsContact O-N 3.11Å; Y431-L435 HydrophobicContact CD1-CD1 4.19Å; Y431-L435 HydrophobicContact CD2-CG 4.42Å; Y431-L435 HydrophobicContact CE1-CD1 3.47Å; Y431-L435 VanDerWaalsContact CE1-CD1 3.47Å; Y431-L435 HydrophobicContact CE1-CG 4.08Å; Y431-L435 HydrophobicContact CE2-CD1 4.15Å; Y431-L435 HydrophobicContact CE2-CD2 4.02Å; Y431-L435 HydrophobicContact CE2-CG 3.95Å; Y431-L435 VanDerWaalsContact CZ-CD1 3.45Å; Y431-L435 PolarHBondContact O-N 2.65Å; Y431-K471 HydrophobicContact CD2-CG 4.11Å; Y431-K471 HydrophobicContact CE2-CG 3.75Å; Y431-V474 HydrophobicContact CD1-CG1 4.07Å; Y431-V474 HydrophobicContact CD2-CB 4Å; Y431-V474 HydrophobicContact CD2-CG1 3.92Å; Y431-V474 HydrophobicContact CG-CB 4.19Å; Y431-V474 HydrophobicContact CG-CG1 3.66Å; Y431-E475 HydrophobicContact CE2-CG 3.68Å; Y431-E475 VanDerWaalsContact OH-CG 3.32Å; Y431-E475 WeakPolarHBondContact OH-CG 3.47Å; Y431-E475 PolarHBondContact OH-OE1 2.84Å; Y431-F480 HydrophobicContact CD1-CE1 4.49Å; Y431-F480 AromaticContact CE1-CE1 3.86Å; Y431-F480 HydrophobicContact CE1-CE1 3.86Å; Y431-F480 HydrophobicContact CE1-CZ 4.03Å
432	Q	95.3	Very high	94.6	Very high	72 Å²	72	40.5 Å²	40.5	34%	0.336	19%	0.192	S	C	.	.	H	α-helix	trans	-60.9	-32.9	175.6	-73.5	-176.3	-25.3	0	0	113.2	F428 R429 I430 R436	F428-Q432 HydrophobicContact CD1-CG 4.34Å; F428-Q432 HydrophobicContact CE1-CG 4.02Å; F428-Q432 HydrophobicContact CE2-CG 4.46Å; F428-Q432 HydrophobicContact CZ-CG 4.08Å; F428-Q432 WeakPolarHBondContact O-CG 3.28Å; F428-Q432 PolarHBondContact O-N 2.69Å; R429-Q432 PolarHBondContact O-N 2.82Å; I430-Q432 VanDerWaalsContact C-N 3.32Å; I430-Q432 PolarHBondContact O-N 2.68Å; Q432-R436 WeakPolarHBondContact O-CB 3.49Å; Q432-R436 PolarHBondContact O-N 3.49Å
433	V	96.4	Very high	94.9	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.018	19%	0.191	C	C	.	.	H	α-helix	trans	-65.3	-49.3	172.7	177.4	0	0	0	0	110	I407 P408 I410 R429 I430 Y431 L435 R436 T437 L615 L619	I407-V433 HydrophobicContact CG2-CG2 4.28Å; P408-V433 HydrophobicContact CG-CG2 3.74Å; I410-V433 HydrophobicContact CD1-CG1 3.73Å; I410-V433 HydrophobicContact CD1-CG2 4.5Å; I410-V433 HydrophobicContact CG1-CG1 4.32Å; I410-V433 HydrophobicContact CG1-CG2 4.27Å; R429-V433 PolarHBondContact O-N 3.24Å; I430-V433 WeakPolarHBondContact O-CB 3.33Å; I430-V433 PolarHBondContact O-N 2.92Å; Y431-V433 VanDerWaalsContact C-N 3.26Å; Y431-V433 PolarHBondContact O-N 3.5Å; V433-L435 PolarHBondContact O-N 3.32Å; V433-R436 PolarHBondContact O-N 2.95Å; V433-T437 PolarHBondContact O-N 3.33Å; V433-T437 PolarHBondContact O-OG1 3.1Å; V433-L615 HydrophobicContact CG1-CD2 3.98Å; V433-L619 HydrophobicContact CG1-CD1 4.03Å
434	I	96.4	Very high	95.1	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.036	17%	0.173	C	C	.	.	H	α-helix	trans	-58.1	-37.7	-179.9	-60.8	167.2	0	0	0	111.3	I430 Y431 R436 P438 L464 L467 L470 K471	I430-I434 HydrophobicContact CG2-CD1 4.12Å; I430-I434 PolarHBondContact O-N 2.96Å; I430-I434 VanDerWaalsContact O-N 3.15Å; Y431-I434 PolarHBondContact O-N 3.38Å; Y431-I434 VanDerWaalsContact O-N 3.11Å; I434-R436 VanDerWaalsContact C-N 3.32Å; I434-R436 PolarHBondContact O-N 3.29Å; I434-P438 WeakPolarHBondContact O-CD 3.48Å; I434-L464 HydrophobicContact CG2-CD2 4.22Å; I434-L467 HydrophobicContact CD1-CB 4.18Å; I434-L467 HydrophobicContact CG1-CB 4.46Å; I434-L467 HydrophobicContact CG1-CD1 4.24Å; I434-L470 HydrophobicContact CD1-CD2 3.83Å; I434-L470 HydrophobicContact CD1-CG 4.12Å; I434-K471 HydrophobicContact CG2-CB 4.2Å; I434-K471 HydrophobicContact CG2-CG 4.45Å
435	L	95.4	Very high	95	Very high	62 Å²	62	40 Å²	40	33%	0.325	19%	0.185	S	C	.	.	H	α-helix	trans	-70.7	-26	175.2	-71.7	-172.4	0	0	0	114.2	Y431 V433 K471	Y431-L435 HydrophobicContact CD1-CD1 4.19Å; Y431-L435 HydrophobicContact CD2-CG 4.42Å; Y431-L435 HydrophobicContact CE1-CD1 3.47Å; Y431-L435 VanDerWaalsContact CE1-CD1 3.47Å; Y431-L435 HydrophobicContact CE1-CG 4.08Å; Y431-L435 HydrophobicContact CE2-CD1 4.15Å; Y431-L435 HydrophobicContact CE2-CD2 4.02Å; Y431-L435 HydrophobicContact CE2-CG 3.95Å; Y431-L435 VanDerWaalsContact CZ-CD1 3.45Å; Y431-L435 PolarHBondContact O-N 2.65Å; V433-L435 PolarHBondContact O-N 3.32Å; L435-K471 HydrophobicContact CD2-CD 4.37Å
436	R	95.3	Very high	95	Very high	39 Å²	39	42 Å²	42	15%	0.147	19%	0.194	C	C	.	.	H	α-helix	trans	-87.5	-36.7	-175.2	-167.3	171.4	-63.1	121.9	0.3	112.2	Y403 R406 Q432 V433 I434 K439 I440	Y403-R436 HydrophobicContact CD1-CG 3.72Å; Y403-R436 HydrophobicContact CE1-CG 4.5Å; Y403-R436 WeakPolarHBondContact O-CD 3.35Å; R406-R436 VanDerWaalsContact C-NH1 3.29Å; R406-R436 VanDerWaalsContact CB-CZ 3.47Å; R406-R436 PolarHBondContact O-NH1 3.12Å; Q432-R436 WeakPolarHBondContact O-CB 3.49Å; Q432-R436 PolarHBondContact O-N 3.49Å; V433-R436 PolarHBondContact O-N 2.95Å; I434-R436 VanDerWaalsContact C-N 3.32Å; I434-R436 PolarHBondContact O-N 3.29Å; R436-K439 WeakPolarHBondContact O-CA 3.24Å; R436-K439 WeakPolarHBondContact O-CB 3.26Å; R436-K439 PolarHBondContact O-N 3.33Å; R436-I440 HydrophobicContact CG-CD1 4.5Å; R436-I440 PolarHBondContact O-N 3.43Å; R436-I440 VanDerWaalsContact O-N 3.17Å
437	T	95.6	Very high	94.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-54.4	-41.4	-179	-50.5	0	0	0	0	113.7	V433 K439 I440 L441 F460 L464 L615	V433-T437 PolarHBondContact O-N 3.33Å; V433-T437 PolarHBondContact O-OG1 3.1Å; T437-K439 VanDerWaalsContact C-N 3.25Å; T437-K439 PolarHBondContact O-N 3.24Å; T437-I440 WeakPolarHBondContact O-CB 3.44Å; T437-I440 PolarHBondContact O-N 3.15Å; T437-L441 PolarHBondContact O-N 2.69Å; T437-F460 HydrophobicContact CG2-CD1 3.38Å; T437-F460 HydrophobicContact CG2-CE1 3.69Å; T437-F460 HydrophobicContact CG2-CG 4.27Å; T437-L464 HydrophobicContact CG2-CD1 3.83Å; T437-L464 HydrophobicContact CG2-CD2 4.14Å; T437-L464 HydrophobicContact CG2-CG 4.17Å; T437-L615 HydrophobicContact CG2-CD1 3.92Å
438	P	95.7	Very high	94.7	Very high	64 Å²	64	50 Å²	50	42%	0.416	24%	0.238	S	C	.	.	H	α-helix	trans	-59.8	-31.8	173.5	-24.9	33.1	0	0	0	114.3	I434 L441 K442 L464	I434-P438 WeakPolarHBondContact O-CD 3.48Å; P438-L441 PolarHBondContact O-N 3.29Å; P438-K442 PolarHBondContact O-N 3.44Å; P438-L464 HydrophobicContact CG-CD1 4.03Å
439	K	95.7	Very high	94.7	Very high	119 Å²	119	51.1 Å²	51.1	52%	0.517	24%	0.244	S	C	.	.	H	α-helix	trans	-72.1	-39	177	-55.8	-177.7	-178.4	-177.7	0	111.1	Y403 R436 T437 L441 K442 V443	Y403-K439 HydrophobicContact CD1-CB 4.41Å; Y403-K439 HydrophobicContact CE1-CB 3.66Å; Y403-K439 HydrophobicContact CE1-CD 4.04Å; Y403-K439 HydrophobicContact CE1-CG 4.5Å; R436-K439 WeakPolarHBondContact O-CA 3.24Å; R436-K439 WeakPolarHBondContact O-CB 3.26Å; R436-K439 PolarHBondContact O-N 3.33Å; T437-K439 VanDerWaalsContact C-N 3.25Å; T437-K439 PolarHBondContact O-N 3.24Å; K439-L441 VanDerWaalsContact C-N 3.33Å; K439-K442 PolarHBondContact O-N 3.16Å; K439-V443 PolarHBondContact O-N 3.31Å
440	I	96.3	Very high	94.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.9	-47.2	171.3	-66	171.7	0	0	0	109.9	L399 Y403 I407 R436 T437 K442 V443 L444 L619 L622	L399-I440 HydrophobicContact CD2-CG2 3.83Å; Y403-I440 HydrophobicContact CD1-CG1 4.43Å; Y403-I440 HydrophobicContact CD2-CG1 4.27Å; Y403-I440 HydrophobicContact CG-CG1 3.88Å; I407-I440 HydrophobicContact CD1-CD1 3.92Å; R436-I440 HydrophobicContact CG-CD1 4.5Å; R436-I440 PolarHBondContact O-N 3.43Å; R436-I440 VanDerWaalsContact O-N 3.17Å; T437-I440 WeakPolarHBondContact O-CB 3.44Å; T437-I440 PolarHBondContact O-N 3.15Å; I440-K442 VanDerWaalsContact C-N 3.32Å; I440-K442 PolarHBondContact O-N 3.38Å; I440-V443 PolarHBondContact O-N 3.01Å; I440-L444 HydrophobicContact CG2-CD1 3.87Å; I440-L444 HydrophobicContact CG2-CG 4.43Å; I440-L444 WeakPolarHBondContact O-CG 3.44Å; I440-L444 PolarHBondContact O-N 3.48Å; I440-L619 HydrophobicContact CD1-CD2 4.09Å; I440-L622 HydrophobicContact CG2-CD2 3.54Å
441	L	95.4	Very high	94.7	Very high	10 Å²	10	51.5 Å²	51.5	5%	0.052	26%	0.262	C	S	.	.	H	α-helix	trans	-60.1	-40.6	177.2	-72.7	179.8	0	0	0	113	T437 P438 K439 V443 L444 H445 C457 F460 K461 L464	T437-L441 PolarHBondContact O-N 2.69Å; P438-L441 PolarHBondContact O-N 3.29Å; K439-L441 VanDerWaalsContact C-N 3.33Å; L441-V443 VanDerWaalsContact C-N 3.34Å; L441-V443 PolarHBondContact O-N 3.04Å; L441-L444 PolarHBondContact O-N 3.45Å; L441-H445 WeakPolarHBondContact O-CB 3.36Å; L441-H445 PolarHBondContact O-CD2 3.02Å; L441-H445 VanDerWaalsContact O-CG 3.32Å; L441-H445 PolarHBondContact O-N 3.38Å; L441-C457 HydrophobicContact CD2-CB 3.98Å; L441-F460 HydrophobicContact CD1-CB 4.02Å; L441-F460 HydrophobicContact CD2-CB 3.66Å; L441-F460 HydrophobicContact CD2-CD2 4.15Å; L441-F460 HydrophobicContact CD2-CG 4.1Å; L441-F460 HydrophobicContact CG-CB 4.19Å; L441-K461 HydrophobicContact CD1-CG 4.07Å; L441-L464 HydrophobicContact CD1-CD1 3.78Å
442	K	95.3	Very high	94.6	Very high	140 Å²	140	50.7 Å²	50.7	61%	0.609	26%	0.259	S	S	*	.	H	α-helix	trans	-58.4	-48.2	176.9	-173	-173.5	172.5	-169.3	0	111.3	P438 K439 I440 L444 H445 E446	P438-K442 PolarHBondContact O-N 3.44Å; K439-K442 PolarHBondContact O-N 3.16Å; I440-K442 VanDerWaalsContact C-N 3.32Å; I440-K442 PolarHBondContact O-N 3.38Å; K442-L444 VanDerWaalsContact C-N 3.33Å; K442-L444 PolarHBondContact O-N 2.67Å; K442-H445 PolarHBondContact O-N 3.04Å; K442-E446 WeakPolarHBondContact O-CG 3.08Å; K442-E446 PolarHBondContact O-N 3.33Å
443	V	95.3	Very high	94.6	Very high	14 Å²	14	50.4 Å²	50.4	9%	0.085	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-38.5	178.1	170.3	0	0	0	0	111.7	T395 T398 L399 Y403 K439 I440 L441 E446	T395-V443 HydrophobicContact CG2-CG1 3.47Å; T395-V443 VanDerWaalsContact CG2-CG1 3.47Å; T398-V443 HydrophobicContact CG2-CG2 4.44Å; L399-V443 HydrophobicContact CD2-CG1 4.15Å; L399-V443 HydrophobicContact CG-CG1 4.09Å; Y403-V443 HydrophobicContact CE2-CG2 3.88Å; K439-V443 PolarHBondContact O-N 3.31Å; I440-V443 PolarHBondContact O-N 3.01Å; L441-V443 VanDerWaalsContact C-N 3.34Å; L441-V443 PolarHBondContact O-N 3.04Å; V443-E446 PolarHBondContact O-N 2.93Å
444	L	94.2	Very high	94.5	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-68.6	-35.6	176.3	-70.9	171.2	0	0	0	112.9	L399 I440 L441 K442 E446 L447 I452 I456 L622	L399-L444 HydrophobicContact CD1-CD2 3.82Å; L399-L444 HydrophobicContact CD2-CG 4.45Å; I440-L444 HydrophobicContact CG2-CD1 3.87Å; I440-L444 HydrophobicContact CG2-CG 4.43Å; I440-L444 WeakPolarHBondContact O-CG 3.44Å; I440-L444 PolarHBondContact O-N 3.48Å; L441-L444 PolarHBondContact O-N 3.45Å; K442-L444 VanDerWaalsContact C-N 3.33Å; K442-L444 PolarHBondContact O-N 2.67Å; L444-E446 VanDerWaalsContact C-N 3.25Å; L444-E446 PolarHBondContact O-N 3.16Å; L444-L447 HydrophobicContact CD2-CD1 4.21Å; L444-L447 WeakPolarHBondContact O-CB 3.49Å; L444-L447 PolarHBondContact O-N 2.83Å; L444-I452 HydrophobicContact CB-CG2 4.06Å; L444-I452 HydrophobicContact CD2-CG2 4.29Å; L444-I456 HydrophobicContact CD1-CG2 3.74Å; L444-L622 HydrophobicContact CD1-CD1 4.21Å; L444-L622 HydrophobicContact CD1-CD2 4.09Å; L444-L622 HydrophobicContact CD2-CD1 4.14Å
445	H	91.4	Very high	94.4	Very high	67 Å²	67	55 Å²	55	31%	0.31	29%	0.289	S	S	.	.	H	α-helix	trans	-65.5	-28.3	175.4	-75.8	-48.3	0	0	0	112.9	L441 K442 L447 D448 E453 K461	L441-H445 WeakPolarHBondContact O-CB 3.36Å; L441-H445 PolarHBondContact O-CD2 3.02Å; L441-H445 VanDerWaalsContact O-CG 3.32Å; L441-H445 PolarHBondContact O-N 3.38Å; K442-H445 PolarHBondContact O-N 3.04Å; H445-L447 PolarHBondContact O-N 3.48Å; H445-D448 PolarHBondContact O-N 3.32Å; H445-E453 IonicContact CE1-OE1 3.69Å; H445-E453 PolarHBondContact CE1-OE1 3.32Å; H445-E453 IonicContact CE1-OE2 2.76Å; H445-E453 PolarHBondContact CE1-OE2 3.49Å; H445-E453 IonicContact ND1-OE2 2.81Å; H445-E453 PolarHBondContact ND1-OE2 2.93Å; H445-K461 VanDerWaalsContact CE1-CE 3.43Å; H445-K461 WeakPolarHBondContact CE1-CE 3.38Å; H445-K461 PolarHBondContact CE1-NZ 3.23Å; H445-K461 WeakPolarHBondContact NE2-CE 3.28Å; H445-K461 PolarHBondContact NE2-NZ 2.93Å
446	E	91.6	Very high	94.3	Very high	121 Å²	121	52.2 Å²	52.2	57%	0.565	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.3	177.3	-70.6	166.5	-173.3	0	0	112.7	K442 V443 L444 D448	K442-E446 WeakPolarHBondContact O-CG 3.08Å; K442-E446 PolarHBondContact O-N 3.33Å; V443-E446 PolarHBondContact O-N 2.93Å; L444-E446 VanDerWaalsContact C-N 3.25Å; L444-E446 PolarHBondContact O-N 3.16Å; E446-D448 VanDerWaalsContact C-N 3.3Å
447	L	92.3	Very high	94.2	Very high	26 Å²	26	50.3 Å²	50.3	14%	0.136	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-11	175.2	-61.3	172.2	0	0	0	113.9	L389 S392 T395 L444 H445 N449 I452	L389-L447 HydrophobicContact CD2-CD1 4.16Å; S392-L447 VanDerWaalsContact OG-CD2 3.26Å; S392-L447 WeakPolarHBondContact OG-CD2 3.25Å; T395-L447 HydrophobicContact CG2-CD1 3.95Å; T395-L447 HydrophobicContact CG2-CD2 3.85Å; T395-L447 HydrophobicContact CG2-CG 4.05Å; L444-L447 HydrophobicContact CD2-CD1 4.21Å; L444-L447 WeakPolarHBondContact O-CB 3.49Å; L444-L447 PolarHBondContact O-N 2.83Å; H445-L447 PolarHBondContact O-N 3.48Å; L447-N449 VanDerWaalsContact C-N 3.3Å; L447-N449 PolarHBondContact O-N 3.09Å; L447-N449 VanDerWaalsContact O-N 3.16Å; L447-I452 HydrophobicContact CB-CD1 3.97Å; L447-I452 HydrophobicContact CD1-CD1 3.41Å; L447-I452 VanDerWaalsContact CD1-CD1 3.41Å; L447-I452 HydrophobicContact CG-CD1 4.33Å
448	D	90.6	Very high	94.1	Very high	159 Å²	159	52.6 Å²	52.6	85%	0.85	29%	0.286	S	S	*	.			trans	44.2	47.4	177.9	-162.2	24.6	0	0	0	114.6	H445 E446	H445-D448 PolarHBondContact O-N 3.32Å; E446-D448 VanDerWaalsContact C-N 3.3Å
449	N	94.4	Very high	94	Very high	45 Å²	45	51.1 Å²	51.1	24%	0.241	28%	0.277	C	S	.	.			trans	-118.2	128.7	-177.4	-175.1	-83.2	0	0	0	112.2	C388 L447 T451 I452 E453	C388-N449 PolarHBondContact SG-ND2 3.26Å; L447-N449 VanDerWaalsContact C-N 3.3Å; L447-N449 PolarHBondContact O-N 3.09Å; L447-N449 VanDerWaalsContact O-N 3.16Å; N449-T451 VanDerWaalsContact C-N 3.34Å; N449-T451 PolarHBondContact O-N 3.07Å; N449-T451 WeakPolarHBondContact OD1-CA 3.45Å; N449-T451 VanDerWaalsContact OD1-CB 3.29Å; N449-T451 WeakPolarHBondContact OD1-CB 3.45Å; N449-T451 PolarHBondContact OD1-N 3.41Å; N449-I452 HydrophobicContact CB-CB 4.2Å; N449-I452 HydrophobicContact CB-CD1 4.03Å; N449-I452 HydrophobicContact CB-CG1 4.04Å; N449-I452 PolarHBondContact O-N 3.01Å; N449-I452 PolarHBondContact OD1-N 3.33Å; N449-I452 VanDerWaalsContact OD1-N 3.16Å; N449-E453 PolarHBondContact O-N 3.09Å
450	S	94.4	Very high	93.8	Very high	97 Å²	97	45.5 Å²	45.5	68%	0.678	25%	0.252	S	S	*	.	H	α-helix	trans	-63.7	-34	-177.2	58.8	0	0	0	0	114.2	S454	S450-S454 WeakPolarHBondContact O-CB 3.09Å; S450-S454 PolarHBondContact O-N 3.27Å; S450-S454 PolarHBondContact O-OG 3.42Å; S450-S454 VanDerWaalsContact O-OG 3.08Å
451	T	95.1	Very high	93.7	Very high	15 Å²	15	49.9 Å²	49.9	9%	0.092	27%	0.271	C	S	.	.	H	α-helix	trans	-72.1	-40.5	178	-59.2	0	0	0	0	110.6	D381 N384 I385 N449 E453 S454 V455	D381-T451 HydrophobicContact CB-CG2 3.97Å; N384-T451 HydrophobicContact CB-CG2 4.19Å; I385-T451 HydrophobicContact CD1-CG2 4.27Å; I385-T451 HydrophobicContact CG1-CG2 4.06Å; N449-T451 VanDerWaalsContact C-N 3.34Å; N449-T451 PolarHBondContact O-N 3.07Å; N449-T451 WeakPolarHBondContact OD1-CA 3.45Å; N449-T451 VanDerWaalsContact OD1-CB 3.29Å; N449-T451 WeakPolarHBondContact OD1-CB 3.45Å; N449-T451 PolarHBondContact OD1-N 3.41Å; T451-E453 VanDerWaalsContact C-N 3.31Å; T451-E453 PolarHBondContact O-N 2.88Å; T451-S454 PolarHBondContact O-N 3.03Å; T451-S454 PolarHBondContact O-OG 3.47Å; T451-V455 HydrophobicContact CG2-CG2 3.84Å; T451-V455 WeakPolarHBondContact O-CB 3.35Å; T451-V455 WeakPolarHBondContact O-CG2 3.12Å; T451-V455 PolarHBondContact O-N 3.22Å
452	I	94.9	Very high	93.4	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-61.7	-43	173.5	-64.8	-178.3	0	0	0	110.2	I385 C388 L444 L447 N449 I456 C457	I385-I452 HydrophobicContact CG1-CG1 4.09Å; I385-I452 HydrophobicContact CG2-CG1 4.42Å; C388-I452 HydrophobicContact CB-CD1 3.76Å; L444-I452 HydrophobicContact CB-CG2 4.06Å; L444-I452 HydrophobicContact CD2-CG2 4.29Å; L447-I452 HydrophobicContact CB-CD1 3.97Å; L447-I452 HydrophobicContact CD1-CD1 3.41Å; L447-I452 VanDerWaalsContact CD1-CD1 3.41Å; L447-I452 HydrophobicContact CG-CD1 4.33Å; N449-I452 HydrophobicContact CB-CB 4.2Å; N449-I452 HydrophobicContact CB-CD1 4.03Å; N449-I452 HydrophobicContact CB-CG1 4.04Å; N449-I452 PolarHBondContact O-N 3.01Å; N449-I452 PolarHBondContact OD1-N 3.33Å; N449-I452 VanDerWaalsContact OD1-N 3.16Å; I452-I456 WeakPolarHBondContact O-CA 3.28Å; I452-I456 WeakPolarHBondContact O-CB 3.37Å; I452-I456 PolarHBondContact O-N 3.35Å; I452-C457 PolarHBondContact O-N 3.44Å
453	E	94.5	Very high	93.1	Very high	66 Å²	66	47 Å²	47	31%	0.308	27%	0.266	S	S	.	.	I	π-helix	trans	-60.9	-48.6	178.7	-172.6	61.9	-153.4	0	0	112.1	H445 N449 T451 C457 A458 K461	H445-E453 IonicContact CE1-OE1 3.69Å; H445-E453 PolarHBondContact CE1-OE1 3.32Å; H445-E453 IonicContact CE1-OE2 2.76Å; H445-E453 PolarHBondContact CE1-OE2 3.49Å; H445-E453 IonicContact ND1-OE2 2.81Å; H445-E453 PolarHBondContact ND1-OE2 2.93Å; N449-E453 PolarHBondContact O-N 3.09Å; T451-E453 VanDerWaalsContact C-N 3.31Å; T451-E453 PolarHBondContact O-N 2.88Å; E453-C457 PolarHBondContact O-N 2.95Å; E453-A458 WeakPolarHBondContact O-CB 3.45Å; E453-A458 PolarHBondContact O-N 3.08Å; E453-K461 IonicContact OE1-NZ 2.73Å; E453-K461 PolarHBondContact OE1-NZ 3.28Å
454	S	94.4	Very high	92.9	Very high	74 Å²	74	47.5 Å²	47.5	52%	0.517	27%	0.268	S	S	.	.	I	π-helix	trans	-78	-42	-173.7	65	0	0	0	0	113.5	S450 T451	S450-S454 WeakPolarHBondContact O-CB 3.09Å; S450-S454 PolarHBondContact O-N 3.27Å; S450-S454 PolarHBondContact O-OG 3.42Å; S450-S454 VanDerWaalsContact O-OG 3.08Å; T451-S454 PolarHBondContact O-N 3.03Å; T451-S454 PolarHBondContact O-OG 3.47Å
455	V	94	Very high	92.9	Very high	33 Å²	33	55.2 Å²	55.2	20%	0.2	30%	0.301	C	S	.	.	I	π-helix	trans	-85.2	-32.4	-174.5	-179.9	0	0	0	0	111.8	D381 I385 T451	D381-V455 HydrophobicContact CB-CG2 4.2Å; I385-V455 HydrophobicContact CD1-CB 4.25Å; I385-V455 HydrophobicContact CD1-CG1 4.03Å; T451-V455 HydrophobicContact CG2-CG2 3.84Å; T451-V455 WeakPolarHBondContact O-CB 3.35Å; T451-V455 WeakPolarHBondContact O-CG2 3.12Å; T451-V455 PolarHBondContact O-N 3.22Å
456	I	93.5	Very high	92.9	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.015	31%	0.309	C	S	.	.	I	π-helix	trans	-112	-63	-175.3	-57.1	-172.5	0	0	0	110.9	I385 L444 I452 A458 P459 F460 L622 L625	I385-I456 HydrophobicContact CD1-CD1 3.95Å; I385-I456 HydrophobicContact CD1-CG1 4.15Å; I385-I456 HydrophobicContact CG1-CD1 4.38Å; I385-I456 HydrophobicContact CG2-CD1 3.9Å; L444-I456 HydrophobicContact CD1-CG2 3.74Å; I452-I456 WeakPolarHBondContact O-CA 3.28Å; I452-I456 WeakPolarHBondContact O-CB 3.37Å; I452-I456 PolarHBondContact O-N 3.35Å; I456-A458 PolarHBondContact O-N 3.12Å; I456-P459 WeakPolarHBondContact O-CD 3.34Å; I456-F460 HydrophobicContact CG2-CD2 3.63Å; I456-F460 HydrophobicContact CG2-CE2 3.59Å; I456-F460 WeakPolarHBondContact O-CD2 3.33Å; I456-F460 PolarHBondContact O-N 3.18Å; I456-L622 HydrophobicContact CD1-CD1 4.09Å; I456-L625 HydrophobicContact CD1-CD1 4.25Å
457	C	93.9	Very high	93.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.282	C	S	.	.	I	π-helix	trans	-66.3	-40.4	-166.9	-61.7	0	0	0	0	113.8	L441 I452 E453 F460 K461	L441-C457 HydrophobicContact CD2-CB 3.98Å; I452-C457 PolarHBondContact O-N 3.44Å; E453-C457 PolarHBondContact O-N 2.95Å; C457-F460 PolarHBondContact O-N 2.85Å; C457-K461 VanDerWaalsContact O-CG 3.29Å; C457-K461 WeakPolarHBondContact O-CG 3.41Å; C457-K461 PolarHBondContact O-N 3.32Å
458	A	93.3	Very high	93.2	Very high	48 Å²	48	52 Å²	52	40%	0.397	29%	0.293	S	S	.	.	H	α-helix	trans	-62.7	-49.5	-179.2	0	0	0	0	0	113.3	E453 I456 F460 K461 S462	E453-A458 WeakPolarHBondContact O-CB 3.45Å; E453-A458 PolarHBondContact O-N 3.08Å; I456-A458 PolarHBondContact O-N 3.12Å; A458-F460 PolarHBondContact O-N 3.27Å; A458-K461 PolarHBondContact O-N 3.22Å; A458-S462 PolarHBondContact O-N 3.43Å; A458-S462 VanDerWaalsContact O-N 3.15Å
459	P	92.6	Very high	93.4	Very high	33 Å²	33	45.7 Å²	45.7	21%	0.214	27%	0.265	C	S	.	.	H	α-helix	trans	-53.8	-50	171.6	-28.8	33.9	0	0	0	113.4	I456 K461 S462 F463 E618	I456-P459 WeakPolarHBondContact O-CD 3.34Å; P459-K461 VanDerWaalsContact C-N 3.35Å; P459-K461 PolarHBondContact O-N 3.44Å; P459-S462 WeakPolarHBondContact O-CB 3.41Å; P459-S462 PolarHBondContact O-N 3.13Å; P459-S462 VanDerWaalsContact O-N 3.1Å; P459-F463 HydrophobicContact CB-CE2 3.79Å; P459-F463 HydrophobicContact CB-CZ 4.26Å; P459-F463 WeakPolarHBondContact O-CD2 3.25Å; P459-F463 WeakPolarHBondContact O-CE2 3.4Å; P459-F463 WeakPolarHBondContact O-CG 3.14Å; P459-F463 PolarHBondContact O-N 3.35Å; P459-E618 HydrophobicContact CB-CG 4.28Å
460	F	92.8	Very high	93.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.8	-43.5	178.8	-89.6	-66.5	0	0	0	113.2	T437 L441 I456 C457 A458 S462 F463 L464 L615 E618 L619	T437-F460 HydrophobicContact CG2-CD1 3.38Å; T437-F460 HydrophobicContact CG2-CE1 3.69Å; T437-F460 HydrophobicContact CG2-CG 4.27Å; L441-F460 HydrophobicContact CD1-CB 4.02Å; L441-F460 HydrophobicContact CD2-CB 3.66Å; L441-F460 HydrophobicContact CD2-CD2 4.15Å; L441-F460 HydrophobicContact CD2-CG 4.1Å; L441-F460 HydrophobicContact CG-CB 4.19Å; I456-F460 HydrophobicContact CG2-CD2 3.63Å; I456-F460 HydrophobicContact CG2-CE2 3.59Å; I456-F460 WeakPolarHBondContact O-CD2 3.33Å; I456-F460 PolarHBondContact O-N 3.18Å; C457-F460 PolarHBondContact O-N 2.85Å; A458-F460 PolarHBondContact O-N 3.27Å; F460-S462 VanDerWaalsContact C-N 3.3Å; F460-S462 PolarHBondContact O-N 3.5Å; F460-F463 PolarHBondContact O-N 3.25Å; F460-L464 WeakPolarHBondContact O-CB 2.98Å; F460-L464 VanDerWaalsContact O-CG 3.31Å; F460-L464 WeakPolarHBondContact O-CG 3.4Å; F460-L464 PolarHBondContact O-N 3.33Å; F460-L615 HydrophobicContact CD1-CD1 3.63Å; F460-L615 HydrophobicContact CE1-CD1 3.53Å; F460-E618 HydrophobicContact CD1-CB 4.34Å; F460-E618 HydrophobicContact CD2-CB 4.33Å; F460-E618 HydrophobicContact CE1-CB 3.83Å; F460-E618 HydrophobicContact CE2-CB 3.79Å; F460-E618 HydrophobicContact CZ-CB 3.51Å; F460-L619 HydrophobicContact CE1-CD2 3.78Å; F460-L619 HydrophobicContact CE1-CG 3.74Å; F460-L619 HydrophobicContact CZ-CD2 3.7Å; F460-L619 HydrophobicContact CZ-CG 3.86Å
461	K	93	Very high	93.5	Very high	93 Å²	93	42.3 Å²	42.3	40%	0.404	24%	0.236	S	C	.	.	H	α-helix	trans	-60	-41.3	176.4	-75.3	170.1	-178.2	173.4	0	111.5	L441 H445 E453 C457 A458 P459 K465	L441-K461 HydrophobicContact CD1-CG 4.07Å; H445-K461 VanDerWaalsContact CE1-CE 3.43Å; H445-K461 WeakPolarHBondContact CE1-CE 3.38Å; H445-K461 PolarHBondContact CE1-NZ 3.23Å; H445-K461 WeakPolarHBondContact NE2-CE 3.28Å; H445-K461 PolarHBondContact NE2-NZ 2.93Å; E453-K461 IonicContact OE1-NZ 2.73Å; E453-K461 PolarHBondContact OE1-NZ 3.28Å; C457-K461 VanDerWaalsContact O-CG 3.29Å; C457-K461 WeakPolarHBondContact O-CG 3.41Å; C457-K461 PolarHBondContact O-N 3.32Å; A458-K461 PolarHBondContact O-N 3.22Å; P459-K461 VanDerWaalsContact C-N 3.35Å; P459-K461 PolarHBondContact O-N 3.44Å; K461-K465 PolarHBondContact O-N 3.18Å
462	S	91	Very high	93.6	Very high	62 Å²	62	46.4 Å²	46.4	43%	0.434	26%	0.255	S	S	.	.	H	α-helix	trans	-61.7	-50.9	176.5	-168.4	0	0	0	0	111.3	A458 P459 F460 L464 K465 D466	A458-S462 PolarHBondContact O-N 3.43Å; A458-S462 VanDerWaalsContact O-N 3.15Å; P459-S462 WeakPolarHBondContact O-CB 3.41Å; P459-S462 PolarHBondContact O-N 3.13Å; P459-S462 VanDerWaalsContact O-N 3.1Å; F460-S462 VanDerWaalsContact C-N 3.3Å; F460-S462 PolarHBondContact O-N 3.5Å; S462-L464 PolarHBondContact O-N 3.1Å; S462-K465 VanDerWaalsContact O-CB 3.31Å; S462-K465 WeakPolarHBondContact O-CB 3.4Å; S462-K465 PolarHBondContact O-N 3.2Å; S462-D466 PolarHBondContact O-N 3.08Å
463	F	88.6	Confident	93.6	Very high	27 Å²	27	47.7 Å²	47.7	12%	0.118	26%	0.261	C	S	.	.	H	α-helix	trans	-68	-34.9	-176.7	-53	-38.4	0	0	0	112.8	P459 F460 K465 D466 L467 L614 E618	P459-F463 HydrophobicContact CB-CE2 3.79Å; P459-F463 HydrophobicContact CB-CZ 4.26Å; P459-F463 WeakPolarHBondContact O-CD2 3.25Å; P459-F463 WeakPolarHBondContact O-CE2 3.4Å; P459-F463 WeakPolarHBondContact O-CG 3.14Å; P459-F463 PolarHBondContact O-N 3.35Å; F460-F463 PolarHBondContact O-N 3.25Å; F463-K465 VanDerWaalsContact C-N 3.29Å; F463-K465 PolarHBondContact O-N 3.24Å; F463-D466 PolarHBondContact O-N 3.12Å; F463-L467 WeakPolarHBondContact O-CG 3.41Å; F463-L467 PolarHBondContact O-N 3.36Å; F463-L467 VanDerWaalsContact O-N 3.13Å; F463-L614 HydrophobicContact CD1-CB 3.98Å; F463-L614 HydrophobicContact CD1-CD1 3.9Å; F463-L614 HydrophobicContact CD2-CB 4.08Å; F463-L614 HydrophobicContact CE1-CB 3.9Å; F463-L614 HydrophobicContact CE1-CD1 3.52Å; F463-L614 HydrophobicContact CE1-CG 4.23Å; F463-L614 HydrophobicContact CE2-CB 3.97Å; F463-L614 HydrophobicContact CG-CB 4.1Å; F463-L614 HydrophobicContact CZ-CB 3.89Å; F463-L614 HydrophobicContact CZ-CD1 4.11Å; F463-L614 HydrophobicContact CZ-CG 4.4Å; F463-E618 HydrophobicContact CD2-CG 3.97Å; F463-E618 HydrophobicContact CE2-CG 3.52Å
464	L	90.9	Very high	93.6	Very high	25 Å²	25	44.6 Å²	44.6	13%	0.131	25%	0.246	C	C	.	.	H	α-helix	trans	-64.6	-34.6	174.4	-75.4	173.7	0	0	0	112.7	I434 T437 P438 L441 F460 S462 D466 L467 T468	I434-L464 HydrophobicContact CG2-CD2 4.22Å; T437-L464 HydrophobicContact CG2-CD1 3.83Å; T437-L464 HydrophobicContact CG2-CD2 4.14Å; T437-L464 HydrophobicContact CG2-CG 4.17Å; P438-L464 HydrophobicContact CG-CD1 4.03Å; L441-L464 HydrophobicContact CD1-CD1 3.78Å; F460-L464 WeakPolarHBondContact O-CB 2.98Å; F460-L464 VanDerWaalsContact O-CG 3.31Å; F460-L464 WeakPolarHBondContact O-CG 3.4Å; F460-L464 PolarHBondContact O-N 3.33Å; S462-L464 PolarHBondContact O-N 3.1Å; L464-D466 VanDerWaalsContact C-N 3.31Å; L464-D466 PolarHBondContact O-N 2.92Å; L464-L467 PolarHBondContact O-N 3.4Å; L464-T468 PolarHBondContact O-N 3.42Å; L464-T468 PolarHBondContact O-OG1 2.76Å
465	K	93.4	Very high	93.6	Very high	163 Å²	163	44.5 Å²	44.5	71%	0.709	24%	0.238	S	C	*	.	H	α-helix	trans	-60.1	-45.8	174	-171.5	-177.9	177.1	-176.2	0	110.5	K461 S462 F463 L467 T468	K461-K465 PolarHBondContact O-N 3.18Å; S462-K465 VanDerWaalsContact O-CB 3.31Å; S462-K465 WeakPolarHBondContact O-CB 3.4Å; S462-K465 PolarHBondContact O-N 3.2Å; F463-K465 VanDerWaalsContact C-N 3.29Å; F463-K465 PolarHBondContact O-N 3.24Å; K465-L467 PolarHBondContact O-N 3.03Å; K465-T468 WeakPolarHBondContact O-CB 3Å; K465-T468 PolarHBondContact O-N 3.17Å; K465-T468 PolarHBondContact O-OG1 2.98Å
466	D	92.1	Very high	93.6	Very high	87 Å²	87	48.9 Å²	48.9	47%	0.465	26%	0.256	S	S	.	.	H	α-helix	trans	-65.7	-25.9	179	-61.5	-25.3	0	0	0	112.8	S462 F463 L464 Y608 P611	S462-D466 PolarHBondContact O-N 3.08Å; F463-D466 PolarHBondContact O-N 3.12Å; L464-D466 VanDerWaalsContact C-N 3.31Å; L464-D466 PolarHBondContact O-N 2.92Å; D466-Y608 VanDerWaalsContact O-CE1 3.3Å; D466-Y608 WeakPolarHBondContact O-CE1 3.23Å; D466-P611 HydrophobicContact CB-CB 4.06Å; D466-P611 HydrophobicContact CB-CG 4.45Å
467	L	95	Very high	93.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	1	178.8	-65.6	170.2	0	0	0	114.3	I434 F463 L464 K465 G469 L470 K471 Y608 P611 L612 L615	I434-L467 HydrophobicContact CD1-CB 4.18Å; I434-L467 HydrophobicContact CG1-CB 4.46Å; I434-L467 HydrophobicContact CG1-CD1 4.24Å; F463-L467 WeakPolarHBondContact O-CG 3.41Å; F463-L467 PolarHBondContact O-N 3.36Å; F463-L467 VanDerWaalsContact O-N 3.13Å; L464-L467 PolarHBondContact O-N 3.4Å; K465-L467 PolarHBondContact O-N 3.03Å; L467-G469 VanDerWaalsContact C-N 3.31Å; L467-G469 PolarHBondContact O-N 2.94Å; L467-L470 HydrophobicContact CD2-CD2 4.18Å; L467-L470 PolarHBondContact O-N 3.32Å; L467-K471 PolarHBondContact O-N 2.8Å; L467-Y608 HydrophobicContact CD2-CD1 4.18Å; L467-P611 HydrophobicContact CD2-CB 3.99Å; L467-P611 HydrophobicContact CD2-CG 3.88Å; L467-P611 HydrophobicContact CG-CB 4.14Å; L467-P611 HydrophobicContact CG-CG 4.49Å; L467-L612 HydrophobicContact CD1-CD2 4.21Å; L467-L612 HydrophobicContact CD2-CD2 3.84Å; L467-L612 HydrophobicContact CD2-CG 3.96Å; L467-L615 HydrophobicContact CD1-CD2 3.81Å
468	T	94.9	Very high	93.5	Very high	60 Å²	60	49 Å²	49	37%	0.368	26%	0.257	S	S	.	.	H	α-helix	trans	-60.4	-40.2	-178.2	-55.6	0	0	0	0	112.1	L464 K465 K471 Q472	L464-T468 PolarHBondContact O-N 3.42Å; L464-T468 PolarHBondContact O-OG1 2.76Å; K465-T468 WeakPolarHBondContact O-CB 3Å; K465-T468 PolarHBondContact O-N 3.17Å; K465-T468 PolarHBondContact O-OG1 2.98Å; T468-K471 WeakPolarHBondContact O-CB 2.99Å; T468-K471 PolarHBondContact O-N 3.16Å; T468-Q472 WeakPolarHBondContact O-CG 3.39Å; T468-Q472 PolarHBondContact O-N 3.38Å
469	G	95.4	Very high	93.5	Very high	26 Å²	26	48.3 Å²	48.3	27%	0.268	25%	0.246	S	C	.	.	H	α-helix	trans	-64.6	-42	178.5	0	0	0	0	0	112.6	L467 K471 Q472 M473 Y608	L467-G469 VanDerWaalsContact C-N 3.31Å; L467-G469 PolarHBondContact O-N 2.94Å; G469-K471 VanDerWaalsContact C-N 3.35Å; G469-K471 PolarHBondContact O-N 3.07Å; G469-Q472 PolarHBondContact O-N 3.07Å; G469-M473 WeakPolarHBondContact O-CB 3.43Å; G469-M473 PolarHBondContact O-N 2.82Å; G469-Y608 WeakPolarHBondContact CA-OH 2.94Å
470	L	95.3	Very high	93.5	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-43.8	174.8	179.4	58.3	0	0	0	111.5	L427 I430 I434 L467 M473 V474 A605 Y608 L612	L427-L470 HydrophobicContact CD1-CD1 3.89Å; I430-L470 HydrophobicContact CG2-CD2 3.98Å; I434-L470 HydrophobicContact CD1-CD2 3.83Å; I434-L470 HydrophobicContact CD1-CG 4.12Å; L467-L470 HydrophobicContact CD2-CD2 4.18Å; L467-L470 PolarHBondContact O-N 3.32Å; L470-M473 HydrophobicContact CD1-CE 3.45Å; L470-M473 VanDerWaalsContact CD1-CE 3.45Å; L470-M473 PolarHBondContact O-N 2.76Å; L470-V474 HydrophobicContact CD1-CG2 4.45Å; L470-V474 WeakPolarHBondContact O-CG2 3.38Å; L470-V474 PolarHBondContact O-N 3.04Å; L470-V474 VanDerWaalsContact O-N 3.12Å; L470-A605 HydrophobicContact CD1-CB 4.04Å; L470-Y608 HydrophobicContact CB-CD1 4.03Å; L470-Y608 HydrophobicContact CB-CD2 3.99Å; L470-Y608 HydrophobicContact CB-CE1 4.11Å; L470-Y608 HydrophobicContact CB-CE2 4.07Å; L470-Y608 HydrophobicContact CB-CG 3.96Å; L470-Y608 HydrophobicContact CD1-CD2 4.31Å; L470-Y608 HydrophobicContact CD2-CG 4.23Å; L470-L612 HydrophobicContact CD2-CD1 4.35Å; L470-L612 HydrophobicContact CD2-CD2 4.45Å
471	K	96	Very high	93.4	Very high	71 Å²	71	56.7 Å²	56.7	31%	0.309	28%	0.282	S	S	.	.	H	α-helix	trans	-57	-52.3	176	-176.3	-165.5	163.6	-173.6	0	111.5	Y431 I434 L435 L467 T468 G469 M473 V474 E475	Y431-K471 HydrophobicContact CD2-CG 4.11Å; Y431-K471 HydrophobicContact CE2-CG 3.75Å; I434-K471 HydrophobicContact CG2-CB 4.2Å; I434-K471 HydrophobicContact CG2-CG 4.45Å; L435-K471 HydrophobicContact CD2-CD 4.37Å; L467-K471 PolarHBondContact O-N 2.8Å; T468-K471 WeakPolarHBondContact O-CB 2.99Å; T468-K471 PolarHBondContact O-N 3.16Å; G469-K471 VanDerWaalsContact C-N 3.35Å; G469-K471 PolarHBondContact O-N 3.07Å; K471-M473 VanDerWaalsContact C-N 3.34Å; K471-M473 PolarHBondContact O-N 3.45Å; K471-V474 PolarHBondContact O-N 3.07Å; K471-E475 WeakPolarHBondContact CE-OE1 3.49Å; K471-E475 IonicContact NZ-OE1 3.58Å; K471-E475 WeakPolarHBondContact O-CG 3.41Å; K471-E475 PolarHBondContact O-N 3.28Å; K471-E475 VanDerWaalsContact O-N 3.09Å
472	Q	95.8	Very high	93.2	Very high	101 Å²	101	52.3 Å²	52.3	47%	0.472	26%	0.263	S	S	.	.	H	α-helix	trans	-63.5	-39.6	-178.5	-71.6	175.1	-12.6	0	0	112.3	T468 G469 V474 E475 Q476	T468-Q472 WeakPolarHBondContact O-CG 3.39Å; T468-Q472 PolarHBondContact O-N 3.38Å; G469-Q472 PolarHBondContact O-N 3.07Å; Q472-V474 PolarHBondContact O-N 2.96Å; Q472-E475 PolarHBondContact O-N 3.43Å; Q472-Q476 WeakPolarHBondContact O-CG 3.4Å; Q472-Q476 PolarHBondContact O-N 3.49Å; Q472-Q476 VanDerWaalsContact O-N 3.08Å
473	M	95	Very high	93.2	Very high	29 Å²	29	50.5 Å²	50.5	14%	0.143	25%	0.248	C	C	.	.	H	α-helix	trans	-59	-46.7	176.4	-178	179.6	66.6	0	0	111.4	G469 L470 K471 Q476 V477 I601 V604 A605	G469-M473 WeakPolarHBondContact O-CB 3.43Å; G469-M473 PolarHBondContact O-N 2.82Å; L470-M473 HydrophobicContact CD1-CE 3.45Å; L470-M473 VanDerWaalsContact CD1-CE 3.45Å; L470-M473 PolarHBondContact O-N 2.76Å; K471-M473 VanDerWaalsContact C-N 3.34Å; K471-M473 PolarHBondContact O-N 3.45Å; M473-Q476 PolarHBondContact O-N 3.36Å; M473-V477 VanDerWaalsContact O-CG2 3.26Å; M473-V477 WeakPolarHBondContact O-CG2 3.31Å; M473-V477 PolarHBondContact O-N 3.08Å; M473-V477 VanDerWaalsContact O-N 3.12Å; M473-I601 HydrophobicContact CE-CG2 3.81Å; M473-I601 HydrophobicContact CG-CG2 4.43Å; M473-I601 HydrophobicContact SD-CG2 3.99Å; M473-V604 HydrophobicContact CE-CG1 4.4Å; M473-V604 HydrophobicContact SD-CB 3.96Å; M473-V604 HydrophobicContact SD-CG1 3.65Å; M473-A605 HydrophobicContact CE-CB 4.06Å
474	V	95.2	Very high	93.2	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-42.5	178	174.9	0	0	0	0	111.4	L427 Y431 L470 K471 Q472 Q476 V477 V478	L427-V474 HydrophobicContact CD1-CG2 4.17Å; L427-V474 HydrophobicContact CD2-CG2 3.91Å; L427-V474 HydrophobicContact CG-CG2 3.73Å; Y431-V474 HydrophobicContact CD1-CG1 4.07Å; Y431-V474 HydrophobicContact CD2-CB 4Å; Y431-V474 HydrophobicContact CD2-CG1 3.92Å; Y431-V474 HydrophobicContact CG-CB 4.19Å; Y431-V474 HydrophobicContact CG-CG1 3.66Å; L470-V474 HydrophobicContact CD1-CG2 4.45Å; L470-V474 WeakPolarHBondContact O-CG2 3.38Å; L470-V474 PolarHBondContact O-N 3.04Å; L470-V474 VanDerWaalsContact O-N 3.12Å; K471-V474 PolarHBondContact O-N 3.07Å; Q472-V474 PolarHBondContact O-N 2.96Å; V474-Q476 VanDerWaalsContact C-N 3.26Å; V474-Q476 PolarHBondContact O-N 3.47Å; V474-V477 PolarHBondContact O-N 3.08Å; V474-V478 HydrophobicContact CG1-CB 4.28Å; V474-V478 HydrophobicContact CG1-CG2 3.8Å; V474-V478 WeakPolarHBondContact O-CB 3.42Å; V474-V478 PolarHBondContact O-N 3.04Å
475	E	94.8	Very high	93.1	Very high	72 Å²	72	63.7 Å²	63.7	34%	0.336	30%	0.303	S	S	.	.	H	α-helix	trans	-62.5	-29.5	178.5	-73.7	172.5	164.2	0	0	113.8	Y431 K471 Q472 F480	Y431-E475 HydrophobicContact CE2-CG 3.68Å; Y431-E475 VanDerWaalsContact OH-CG 3.32Å; Y431-E475 WeakPolarHBondContact OH-CG 3.47Å; Y431-E475 PolarHBondContact OH-OE1 2.84Å; K471-E475 WeakPolarHBondContact CE-OE1 3.49Å; K471-E475 IonicContact NZ-OE1 3.58Å; K471-E475 WeakPolarHBondContact O-CG 3.41Å; K471-E475 PolarHBondContact O-N 3.28Å; K471-E475 VanDerWaalsContact O-N 3.09Å; Q472-E475 PolarHBondContact O-N 3.43Å; E475-F480 HydrophobicContact CG-CZ 4.31Å
476	Q	93.6	Very high	92.8	Very high	125 Å²	125	58.5 Å²	58.5	58%	0.584	30%	0.296	S	S	*	.	H	α-helix	trans	-84.8	-37.4	179.9	-71.8	176.6	0.9	0	0	113.1	Q472 M473 V474	Q472-Q476 WeakPolarHBondContact O-CG 3.4Å; Q472-Q476 PolarHBondContact O-N 3.49Å; Q472-Q476 VanDerWaalsContact O-N 3.08Å; M473-Q476 PolarHBondContact O-N 3.36Å; V474-Q476 VanDerWaalsContact C-N 3.26Å; V474-Q476 PolarHBondContact O-N 3.47Å
477	V	92.8	Very high	92.7	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.018	30%	0.296	C	S	.	.	H	α-helix	trans	-87.6	-46.3	-173.5	174.7	0	0	0	0	111.5	M473 V474 V490 K491 F494 I601	M473-V477 VanDerWaalsContact O-CG2 3.26Å; M473-V477 WeakPolarHBondContact O-CG2 3.31Å; M473-V477 PolarHBondContact O-N 3.08Å; M473-V477 VanDerWaalsContact O-N 3.12Å; V474-V477 PolarHBondContact O-N 3.08Å; V477-V490 HydrophobicContact CG1-CB 4.43Å; V477-V490 HydrophobicContact CG1-CG1 3.89Å; V477-V490 HydrophobicContact CG1-CG2 4.07Å; V477-K491 WeakPolarHBondContact O-CB 3.25Å; V477-K491 PolarHBondContact O-N 3.48Å; V477-F494 HydrophobicContact CG2-CD1 4.42Å; V477-F494 HydrophobicContact CG2-CD2 3.93Å; V477-F494 HydrophobicContact CG2-CE1 4.1Å; V477-F494 HydrophobicContact CG2-CE2 3.58Å; V477-F494 HydrophobicContact CG2-CG 4.34Å; V477-F494 HydrophobicContact CG2-CZ 3.68Å; V477-I601 HydrophobicContact CB-CD1 3.78Å; V477-I601 HydrophobicContact CG1-CD1 3.08Å; V477-I601 HydrophobicContact CG2-CD1 3.47Å; V477-I601 VanDerWaalsContact CG2-CD1 3.47Å; V477-I601 HydrophobicContact CG2-CG1 4.32Å
478	V	92.6	Very high	92.5	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.018	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-78.6	135.6	-165.2	177.7	0	0	0	0	111.3	L424 V474 F480 I483	L424-V478 HydrophobicContact CD1-CG2 3.79Å; L424-V478 HydrophobicContact CD2-CG2 4.3Å; L424-V478 HydrophobicContact CG-CG2 4.09Å; V474-V478 HydrophobicContact CG1-CB 4.28Å; V474-V478 HydrophobicContact CG1-CG2 3.8Å; V474-V478 WeakPolarHBondContact O-CB 3.42Å; V474-V478 PolarHBondContact O-N 3.04Å; V478-F480 HydrophobicContact CB-CE1 4.49Å; V478-F480 HydrophobicContact CG1-CD1 4.43Å; V478-F480 HydrophobicContact CG1-CE1 4.35Å; V478-F480 PolarHBondContact O-N 3.34Å; V478-I483 HydrophobicContact CG1-CD1 3.38Å; V478-I483 HydrophobicContact CG1-CG1 4.37Å
479	D	93.1	Very high	92.4	Very high	32 Å²	32	62.2 Å²	62.2	17%	0.171	31%	0.305	C	S	.	.			trans	-82.1	99.7	172.4	-171.8	-17	0	0	0	110.7	E481 A482 I483 L489 K491	D479-E481 VanDerWaalsContact C-N 3.31Å; D479-E481 PolarHBondContact O-N 3.09Å; D479-E481 WeakPolarHBondContact OD1-CB 3.44Å; D479-E481 PolarHBondContact OD1-N 3.28Å; D479-A482 HydrophobicContact CB-CB 3.88Å; D479-A482 PolarHBondContact O-N 3.09Å; D479-A482 PolarHBondContact OD1-N 2.94Å; D479-A482 VanDerWaalsContact OD1-N 3.08Å; D479-I483 WeakPolarHBondContact O-CG1 3.31Å; D479-I483 PolarHBondContact O-N 3.23Å; D479-L489 HydrophobicContact CB-CB 4.43Å; D479-L489 WeakPolarHBondContact CB-O 3.21Å; D479-L489 PolarHBondContact N-O 3.24Å; D479-K491 HydrophobicContact CB-CB 4.38Å
480	F	92.3	Very high	92.3	Very high	73 Å²	73	61 Å²	61	32%	0.32	29%	0.292	S	S	.	.	H	α-helix	trans	-68.2	-28	178.4	-61.8	-61.3	0	0	0	113.4	F428 Y431 E475 V478 I483 E484	F428-F480 HydrophobicContact CD2-CE1 4.12Å; F428-F480 AromaticContact CE2-CD1 3.91Å; F428-F480 HydrophobicContact CE2-CD1 3.91Å; F428-F480 AromaticContact CE2-CE1 3.72Å; F428-F480 HydrophobicContact CE2-CE1 3.72Å; Y431-F480 HydrophobicContact CD1-CE1 4.49Å; Y431-F480 AromaticContact CE1-CE1 3.86Å; Y431-F480 HydrophobicContact CE1-CE1 3.86Å; Y431-F480 HydrophobicContact CE1-CZ 4.03Å; E475-F480 HydrophobicContact CG-CZ 4.31Å; V478-F480 HydrophobicContact CB-CE1 4.49Å; V478-F480 HydrophobicContact CG1-CD1 4.43Å; V478-F480 HydrophobicContact CG1-CE1 4.35Å; V478-F480 PolarHBondContact O-N 3.34Å; F480-I483 HydrophobicContact CD1-CD1 4.28Å; F480-I483 PolarHBondContact O-N 3.39Å; F480-E484 PolarHBondContact O-N 3.26Å
481	E	91.1	Very high	92.2	Very high	137 Å²	137	65.4 Å²	65.4	64%	0.64	31%	0.311	S	S	*	.	H	α-helix	trans	-70.8	-35.9	177	-61.6	-177.2	-177.8	0	0	110.8	D479 I483 E484 R485	D479-E481 VanDerWaalsContact C-N 3.31Å; D479-E481 PolarHBondContact O-N 3.09Å; D479-E481 WeakPolarHBondContact OD1-CB 3.44Å; D479-E481 PolarHBondContact OD1-N 3.28Å; E481-I483 VanDerWaalsContact C-N 3.32Å; E481-E484 PolarHBondContact O-N 2.71Å; E481-R485 PolarHBondContact O-NH1 3.3Å; E481-R485 VanDerWaalsContact O-NH1 3.11Å
482	A	89.5	Confident	92	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.2	-39	171.6	0	0	0	0	0	112.1	D479 E484 R485 G486 E487 L489	D479-A482 HydrophobicContact CB-CB 3.88Å; D479-A482 PolarHBondContact O-N 3.09Å; D479-A482 PolarHBondContact OD1-N 2.94Å; D479-A482 VanDerWaalsContact OD1-N 3.08Å; A482-E484 VanDerWaalsContact C-N 3.3Å; A482-E484 PolarHBondContact O-N 3.39Å; A482-R485 CarbonylContact O-C 3.52Å; A482-R485 WeakPolarHBondContact O-CA 3.23Å; A482-R485 WeakPolarHBondContact O-CB 3.3Å; A482-R485 PolarHBondContact O-N 3.42Å; A482-G486 PolarHBondContact O-N 3.17Å; A482-E487 CarbonylContact C-O 3.55Å; A482-E487 HydrophobicContact CB-CB 4.28Å; A482-E487 PolarHBondContact O-N 3.26Å; A482-E487 VanDerWaalsContact O-O 3.06Å; A482-L489 HydrophobicContact CB-CB 4.07Å; A482-L489 HydrophobicContact CB-CD1 3.96Å; A482-L489 HydrophobicContact CB-CG 4.09Å
483	I	89.9	Confident	91.8	Very high	25 Å²	25	61.1 Å²	61.1	13%	0.128	30%	0.302	C	S	.	.	H	α-helix	trans	-63.1	-36.6	179.2	-70	175.2	0	0	0	111.7	F428 V478 D479 F480 E481 R485 G486 E487 Y488	F428-I483 HydrophobicContact CD1-CD1 4.17Å; F428-I483 HydrophobicContact CD2-CD1 3.67Å; F428-I483 HydrophobicContact CE1-CD1 4.24Å; F428-I483 HydrophobicContact CE1-CG2 3.9Å; F428-I483 HydrophobicContact CE2-CD1 3.8Å; F428-I483 HydrophobicContact CG-CD1 3.86Å; F428-I483 HydrophobicContact CZ-CD1 4.07Å; F428-I483 HydrophobicContact CZ-CG2 4.03Å; V478-I483 HydrophobicContact CG1-CD1 3.38Å; V478-I483 HydrophobicContact CG1-CG1 4.37Å; D479-I483 WeakPolarHBondContact O-CG1 3.31Å; D479-I483 PolarHBondContact O-N 3.23Å; F480-I483 HydrophobicContact CD1-CD1 4.28Å; F480-I483 PolarHBondContact O-N 3.39Å; E481-I483 VanDerWaalsContact C-N 3.32Å; I483-R485 PolarHBondContact O-N 3.29Å; I483-G486 WeakPolarHBondContact O-CA 3.36Å; I483-G486 PolarHBondContact O-N 3.5Å; I483-E487 VanDerWaalsContact CA-O 3.23Å; I483-E487 WeakPolarHBondContact CA-O 3.32Å; I483-E487 PolarHBondContact N-O 2.94Å; I483-Y488 HydrophobicContact CD1-CD1 3.95Å; I483-Y488 HydrophobicContact CD1-CE1 4.19Å; I483-Y488 HydrophobicContact CG1-CD1 3.82Å; I483-Y488 HydrophobicContact CG1-CE1 4.1Å; I483-Y488 HydrophobicContact CG1-CG 4.49Å; I483-Y488 HydrophobicContact CG2-CE1 4.32Å
484	E	89.2	Confident	91.7	Very high	176 Å²	176	64.3 Å²	64.3	82%	0.822	32%	0.315	S	S	*	.	H	α-helix	trans	-62.1	-26.3	174.7	-68.2	-176.3	172.4	0	0	112.7	F480 E481 A482 G486	F480-E484 PolarHBondContact O-N 3.26Å; E481-E484 PolarHBondContact O-N 2.71Å; A482-E484 VanDerWaalsContact C-N 3.3Å; A482-E484 PolarHBondContact O-N 3.39Å; E484-G486 VanDerWaalsContact C-N 3.34Å
485	R	89.2	Confident	91.6	Very high	152 Å²	152	65.8 Å²	65.8	57%	0.574	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-3.8	172.5	-58.9	-173.9	-65.1	-89.1	6.3	113.5	E481 A482 I483	E481-R485 PolarHBondContact O-NH1 3.3Å; E481-R485 VanDerWaalsContact O-NH1 3.11Å; A482-R485 CarbonylContact O-C 3.52Å; A482-R485 WeakPolarHBondContact O-CA 3.23Å; A482-R485 WeakPolarHBondContact O-CB 3.3Å; A482-R485 PolarHBondContact O-N 3.42Å; I483-R485 PolarHBondContact O-N 3.29Å
486	G	86.8	Confident	91.5	Very high	55 Å²	55	66.4 Å²	66.4	57%	0.567	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	12.2	-177.1	0	0	0	0	0	114.6	A482 I483 E484	A482-G486 PolarHBondContact O-N 3.17Å; I483-G486 WeakPolarHBondContact O-CA 3.36Å; I483-G486 PolarHBondContact O-N 3.5Å; E484-G486 VanDerWaalsContact C-N 3.34Å
487	E	88.6	Confident	91.5	Very high	101 Å²	101	66.7 Å²	66.7	47%	0.472	33%	0.331	S	S	.	.			trans	-108	135	-179.9	-63	178	161	0	0	110.5	A482 I483 L489	A482-E487 CarbonylContact C-O 3.55Å; A482-E487 HydrophobicContact CB-CB 4.28Å; A482-E487 PolarHBondContact O-N 3.26Å; A482-E487 VanDerWaalsContact O-O 3.06Å; I483-E487 VanDerWaalsContact CA-O 3.23Å; I483-E487 WeakPolarHBondContact CA-O 3.32Å; I483-E487 PolarHBondContact N-O 2.94Å; E487-L489 HydrophobicContact CB-CD1 4.28Å; E487-L489 HydrophobicContact CB-CG 4.14Å
488	Y	91.6	Very high	91.5	Very high	76 Å²	76	66.6 Å²	66.6	30%	0.298	33%	0.33	S	S	.	.			trans	-105.2	94.3	178.1	-64	-92	0	0	0	109	Q425 F428 I483	Q425-Y488 HydrophobicContact CB-CD1 3.79Å; Q425-Y488 HydrophobicContact CB-CD2 3.85Å; Q425-Y488 HydrophobicContact CB-CE1 3.8Å; Q425-Y488 HydrophobicContact CB-CE2 3.87Å; Q425-Y488 HydrophobicContact CB-CG 3.81Å; Q425-Y488 HydrophobicContact CG-CD1 4.32Å; Q425-Y488 HydrophobicContact CG-CD2 4.29Å; Q425-Y488 HydrophobicContact CG-CE1 3.8Å; Q425-Y488 HydrophobicContact CG-CE2 3.78Å; Q425-Y488 PolarHBondContact NE2-OH 2.99Å; F428-Y488 HydrophobicContact CB-CD1 4.43Å; F428-Y488 HydrophobicContact CB-CE1 4.29Å; F428-Y488 AromaticContact CD1-CE1 3.84Å; F428-Y488 HydrophobicContact CD1-CE1 3.84Å; F428-Y488 HydrophobicContact CG-CE1 4.32Å; I483-Y488 HydrophobicContact CD1-CD1 3.95Å; I483-Y488 HydrophobicContact CD1-CE1 4.19Å; I483-Y488 HydrophobicContact CG1-CD1 3.82Å; I483-Y488 HydrophobicContact CG1-CE1 4.1Å; I483-Y488 HydrophobicContact CG1-CG 4.49Å; I483-Y488 HydrophobicContact CG2-CE1 4.32Å
489	L	93.1	Very high	91.6	Very high	47 Å²	47	71.5 Å²	71.5	25%	0.246	35%	0.354	C	S	.	.			trans	-117.9	154.9	-174.7	-56.9	177.9	0	0	0	112.3	L424 D479 A482 E487 Q594	L424-L489 WeakPolarHBondContact CD2-O 3.33Å; D479-L489 HydrophobicContact CB-CB 4.43Å; D479-L489 WeakPolarHBondContact CB-O 3.21Å; D479-L489 PolarHBondContact N-O 3.24Å; A482-L489 HydrophobicContact CB-CB 4.07Å; A482-L489 HydrophobicContact CB-CD1 3.96Å; A482-L489 HydrophobicContact CB-CG 4.09Å; E487-L489 HydrophobicContact CB-CD1 4.28Å; E487-L489 HydrophobicContact CB-CG 4.14Å; L489-Q594 VanDerWaalsContact CA-OE1 3.23Å
490	V	93.9	Very high	91.6	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-76.8	134.4	166.1	176.4	0	0	0	0	108.5	L424 V477 A492 F494 L498 Q594 I597 V598	L424-V490 HydrophobicContact CD2-CG2 4.43Å; V477-V490 HydrophobicContact CG1-CB 4.43Å; V477-V490 HydrophobicContact CG1-CG1 3.89Å; V477-V490 HydrophobicContact CG1-CG2 4.07Å; V490-A492 PolarHBondContact O-N 3.11Å; V490-F494 HydrophobicContact CG1-CB 4.45Å; V490-F494 HydrophobicContact CG1-CD1 4.31Å; V490-L498 HydrophobicContact CB-CD1 4.12Å; V490-L498 HydrophobicContact CG1-CD1 3.72Å; V490-Q594 HydrophobicContact CB-CG 4.18Å; V490-Q594 HydrophobicContact CG2-CG 3.93Å; V490-I597 HydrophobicContact CG1-CG2 4.1Å; V490-I597 HydrophobicContact CG2-CG2 4.23Å; V490-V598 HydrophobicContact CG2-CG2 3.77Å
491	K	93.2	Very high	91.7	Very high	94 Å²	94	72.5 Å²	72.5	41%	0.409	36%	0.359	S	S	.	.			trans	-61.1	119.1	175.6	-169.6	-179.5	-173.2	179.4	0	109.1	V477 D479 S493 F494	V477-K491 WeakPolarHBondContact O-CB 3.25Å; V477-K491 PolarHBondContact O-N 3.48Å; D479-K491 HydrophobicContact CB-CB 4.38Å; K491-S493 WeakPolarHBondContact CD-OG 3.43Å; K491-S493 WeakPolarHBondContact CE-OG 3.48Å; K491-S493 WeakPolarHBondContact CG-OG 3.39Å; K491-S493 PolarHBondContact O-N 3.05Å; K491-S493 VanDerWaalsContact O-N 3.1Å; K491-F494 WeakPolarHBondContact O-CB 3.5Å; K491-F494 PolarHBondContact O-N 3.28Å
492	A	90.6	Very high	91.7	Very high	6 Å²	6	70 Å²	70	5%	0.05	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-58.8	-29.7	-176.4	0	0	0	0	0	113.3	V490 F494 M499 Q502	V490-A492 PolarHBondContact O-N 3.11Å; A492-F494 PolarHBondContact O-N 3.15Å; A492-M499 PolarHBondContact O-N 3.3Å; A492-Q502 HydrophobicContact CB-CB 4.34Å
493	S	91.6	Very high	91.9	Very high	77 Å²	77	75.2 Å²	75.2	54%	0.538	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-71.1	-8.9	176.5	73	0	0	0	0	114.5	K491	K491-S493 WeakPolarHBondContact CD-OG 3.43Å; K491-S493 WeakPolarHBondContact CE-OG 3.48Å; K491-S493 WeakPolarHBondContact CG-OG 3.39Å; K491-S493 PolarHBondContact O-N 3.05Å; K491-S493 VanDerWaalsContact O-N 3.1Å
494	F	92.3	Very high	92.1	Very high	96 Å²	96	77.7 Å²	77.7	42%	0.421	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-74	-36.5	178.5	177.9	-101	0	0	0	111.6	V477 V490 K491 A492 I597	V477-F494 HydrophobicContact CG2-CD1 4.42Å; V477-F494 HydrophobicContact CG2-CD2 3.93Å; V477-F494 HydrophobicContact CG2-CE1 4.1Å; V477-F494 HydrophobicContact CG2-CE2 3.58Å; V477-F494 HydrophobicContact CG2-CG 4.34Å; V477-F494 HydrophobicContact CG2-CZ 3.68Å; V490-F494 HydrophobicContact CG1-CB 4.45Å; V490-F494 HydrophobicContact CG1-CD1 4.31Å; K491-F494 WeakPolarHBondContact O-CB 3.5Å; K491-F494 PolarHBondContact O-N 3.28Å; A492-F494 PolarHBondContact O-N 3.15Å; F494-I597 HydrophobicContact CD1-CG2 4.17Å; F494-I597 HydrophobicContact CE1-CG2 3.92Å
495	D	93.9	Very high	92.3	Very high	31 Å²	31	70.5 Å²	70.5	17%	0.166	35%	0.351	C	S	.	.	S	Bend	trans	-123.2	128.4	-178.6	174.9	44.5	0	0	0	110.9	R497 L498 M499 Q593 I597	D495-R497 PolarHBondContact O-N 3.02Å; D495-R497 WeakPolarHBondContact OD2-CB 3.22Å; D495-R497 PolarHBondContact OD2-N 3.02Å; D495-L498 HydrophobicContact CB-CB 4.15Å; D495-L498 HydrophobicContact CB-CD1 4.15Å; D495-L498 HydrophobicContact CB-CG 4.03Å; D495-L498 PolarHBondContact O-N 3.05Å; D495-L498 PolarHBondContact OD2-N 3.35Å; D495-L498 VanDerWaalsContact OD2-N 3.12Å; D495-M499 PolarHBondContact O-N 2.88Å; D495-Q593 PolarHBondContact OD2-NE2 2.98Å; D495-I597 HydrophobicContact CB-CD1 3.66Å
496	S	92.9	Very high	92.5	Very high	86 Å²	86	67.2 Å²	67.2	60%	0.601	35%	0.348	S	S	*	.	H	α-helix	trans	-55.9	-38.6	179.9	54.6	0	0	0	0	112.7	M499 E500	S496-M499 WeakPolarHBondContact O-CB 3.38Å; S496-M499 PolarHBondContact O-N 2.76Å; S496-E500 WeakPolarHBondContact O-CG 3.38Å; S496-E500 PolarHBondContact O-N 2.96Å
497	R	92.8	Very high	92.8	Very high	131 Å²	131	69 Å²	69	49%	0.494	34%	0.341	S	S	.	.	H	α-helix	trans	-73.2	-38.9	-178.9	-170.7	176.3	-176.7	-173.4	2.2	112.3	D495 M499 E500 L501 Q593	D495-R497 PolarHBondContact O-N 3.02Å; D495-R497 WeakPolarHBondContact OD2-CB 3.22Å; D495-R497 PolarHBondContact OD2-N 3.02Å; R497-M499 VanDerWaalsContact C-N 3.32Å; R497-E500 PolarHBondContact O-N 3.5Å; R497-L501 HydrophobicContact CG-CD1 4.13Å; R497-L501 WeakPolarHBondContact O-CB 3.41Å; R497-L501 WeakPolarHBondContact O-CD1 3.47Å; R497-L501 VanDerWaalsContact O-CG 3.32Å; R497-L501 WeakPolarHBondContact O-CG 3.5Å; R497-L501 PolarHBondContact O-N 3.13Å; R497-Q593 HydrophobicContact CG-CG 4.48Å
498	L	93.5	Very high	93.1	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.1	-43	170.2	-72.4	-175.4	0	0	0	111.6	V490 D495 L501 Q502 Y590 Q593 Q594 I597	V490-L498 HydrophobicContact CB-CD1 4.12Å; V490-L498 HydrophobicContact CG1-CD1 3.72Å; D495-L498 HydrophobicContact CB-CB 4.15Å; D495-L498 HydrophobicContact CB-CD1 4.15Å; D495-L498 HydrophobicContact CB-CG 4.03Å; D495-L498 PolarHBondContact O-N 3.05Å; D495-L498 PolarHBondContact OD2-N 3.35Å; D495-L498 VanDerWaalsContact OD2-N 3.12Å; L498-L501 PolarHBondContact O-N 3.39Å; L498-Q502 WeakPolarHBondContact O-CB 3.33Å; L498-Q502 PolarHBondContact O-N 3.37Å; L498-Y590 HydrophobicContact CB-CE2 4.05Å; L498-Y590 HydrophobicContact CD2-CD2 3.78Å; L498-Y590 HydrophobicContact CD2-CE2 3.74Å; L498-Y590 HydrophobicContact CD2-CG 4.21Å; L498-Y590 HydrophobicContact CG-CE2 4.43Å; L498-Q593 HydrophobicContact CD2-CB 3.86Å; L498-Q593 HydrophobicContact CD2-CG 3.7Å; L498-Q593 HydrophobicContact CG-CG 4Å; L498-Q594 HydrophobicContact CD2-CB 4.24Å; L498-I597 HydrophobicContact CD1-CD1 3.51Å; L498-I597 HydrophobicContact CG-CD1 3.91Å
499	M	93.9	Very high	93.1	Very high	106 Å²	106	65 Å²	65	52%	0.522	32%	0.322	S	S	.	.	H	α-helix	trans	-61.2	-46.7	177.6	-170.6	173	-179.9	0	0	111.9	A492 D495 S496 R497 Q502 Q503	A492-M499 PolarHBondContact O-N 3.3Å; D495-M499 PolarHBondContact O-N 2.88Å; S496-M499 WeakPolarHBondContact O-CB 3.38Å; S496-M499 PolarHBondContact O-N 2.76Å; R497-M499 VanDerWaalsContact C-N 3.32Å; M499-Q502 PolarHBondContact O-N 2.99Å; M499-Q503 WeakPolarHBondContact O-CB 2.91Å; M499-Q503 PolarHBondContact O-N 3.37Å
500	E	94.2	Very high	93.1	Very high	118 Å²	118	65.2 Å²	65.2	55%	0.551	33%	0.327	S	S	*	.	H	α-helix	trans	-59.5	-47.4	175.6	-74.3	174	-173	0	0	112	S496 R497 Q502 Q503 M504	S496-E500 WeakPolarHBondContact O-CG 3.38Å; S496-E500 PolarHBondContact O-N 2.96Å; R497-E500 PolarHBondContact O-N 3.5Å; E500-Q502 PolarHBondContact O-N 2.89Å; E500-Q503 PolarHBondContact O-N 2.93Å; E500-M504 WeakPolarHBondContact O-CG 3.32Å; E500-M504 PolarHBondContact O-N 3.36Å
501	L	93	Very high	93.1	Very high	8 Å²	8	69.1 Å²	69.1	4%	0.042	34%	0.344	C	S	.	.	H	α-helix	trans	-63.3	-40.8	178.4	-74.2	163.3	0	0	0	111.9	R497 L498 M504 M505 R589 Y590	R497-L501 HydrophobicContact CG-CD1 4.13Å; R497-L501 WeakPolarHBondContact O-CB 3.41Å; R497-L501 WeakPolarHBondContact O-CD1 3.47Å; R497-L501 VanDerWaalsContact O-CG 3.32Å; R497-L501 WeakPolarHBondContact O-CG 3.5Å; R497-L501 PolarHBondContact O-N 3.13Å; L498-L501 PolarHBondContact O-N 3.39Å; L501-M504 HydrophobicContact CB-CE 4.48Å; L501-M504 HydrophobicContact CD2-CE 3.63Å; L501-M504 HydrophobicContact CG-CE 4.11Å; L501-M504 PolarHBondContact O-N 2.96Å; L501-M505 WeakPolarHBondContact O-CB 3.35Å; L501-M505 VanDerWaalsContact O-CG 3.31Å; L501-M505 WeakPolarHBondContact O-CG 3.44Å; L501-M505 PolarHBondContact O-N 3.38Å; L501-R589 HydrophobicContact CD1-CB 4.27Å; L501-R589 HydrophobicContact CD2-CB 4Å; L501-Y590 HydrophobicContact CB-CD2 3.85Å
502	Q	92.8	Very high	93	Very high	86 Å²	86	64.7 Å²	64.7	40%	0.402	33%	0.325	S	S	.	.	H	α-helix	trans	-63.9	-41.4	175.7	-171	-178.9	46.5	0	0	111.7	A492 L498 M499 E500 M505 T506 Y590	A492-Q502 HydrophobicContact CB-CB 4.34Å; L498-Q502 WeakPolarHBondContact O-CB 3.33Å; L498-Q502 PolarHBondContact O-N 3.37Å; M499-Q502 PolarHBondContact O-N 2.99Å; E500-Q502 PolarHBondContact O-N 2.89Å; Q502-M505 HydrophobicContact CB-CE 4.48Å; Q502-M505 PolarHBondContact O-N 2.88Å; Q502-T506 WeakPolarHBondContact O-CB 3.49Å; Q502-T506 PolarHBondContact O-N 3.37Å; Q502-T506 PolarHBondContact O-OG1 3.25Å; Q502-Y590 HydrophobicContact CB-CE2 4.15Å
503	Q	94.1	Very high	93	Very high	109 Å²	109	68.9 Å²	68.9	51%	0.509	34%	0.344	S	S	.	.	H	α-helix	trans	-63.9	-47.1	176.4	-171.4	179.1	-16.5	0	0	111.1	M499 E500 M505 T506 E507	M499-Q503 WeakPolarHBondContact O-CB 2.91Å; M499-Q503 PolarHBondContact O-N 3.37Å; E500-Q503 PolarHBondContact O-N 2.93Å; Q503-M505 VanDerWaalsContact C-N 3.35Å; Q503-M505 PolarHBondContact O-N 3.37Å; Q503-T506 WeakPolarHBondContact O-CB 3.42Å; Q503-T506 PolarHBondContact O-N 3.17Å; Q503-T506 VanDerWaalsContact O-N 3.14Å; Q503-E507 PolarHBondContact NE2-OE1 3.33Å; Q503-E507 VanDerWaalsContact NE2-OE1 3.12Å; Q503-E507 WeakPolarHBondContact O-CG 3.21Å; Q503-E507 PolarHBondContact O-N 2.94Å
504	M	93.4	Very high	93	Very high	76 Å²	76	70.5 Å²	70.5	37%	0.374	34%	0.343	S	S	.	.	H	α-helix	trans	-59	-43.9	175.7	-72.9	-172.5	-67.3	0	0	112.2	E500 L501 T506 E507 L508	E500-M504 WeakPolarHBondContact O-CG 3.32Å; E500-M504 PolarHBondContact O-N 3.36Å; L501-M504 HydrophobicContact CB-CE 4.48Å; L501-M504 HydrophobicContact CD2-CE 3.63Å; L501-M504 HydrophobicContact CG-CE 4.11Å; L501-M504 PolarHBondContact O-N 2.96Å; M504-T506 VanDerWaalsContact C-N 3.33Å; M504-T506 PolarHBondContact O-N 3.42Å; M504-E507 PolarHBondContact O-N 3.37Å; M504-L508 WeakPolarHBondContact O-CB 3.44Å; M504-L508 VanDerWaalsContact O-CG 3.3Å; M504-L508 WeakPolarHBondContact O-CG 3.28Å; M504-L508 PolarHBondContact O-N 2.91Å
505	M	92.8	Very high	92.8	Very high	26 Å²	26	67 Å²	67	13%	0.128	33%	0.329	C	S	.	.	H	α-helix	trans	-61.1	-41.7	175.5	-74.9	-173.2	-61.1	0	0	111.8	L501 Q502 Q503 L508 Y509 F583 C586 R587 Y590	L501-M505 WeakPolarHBondContact O-CB 3.35Å; L501-M505 VanDerWaalsContact O-CG 3.31Å; L501-M505 WeakPolarHBondContact O-CG 3.44Å; L501-M505 PolarHBondContact O-N 3.38Å; Q502-M505 HydrophobicContact CB-CE 4.48Å; Q502-M505 PolarHBondContact O-N 2.88Å; Q503-M505 VanDerWaalsContact C-N 3.35Å; Q503-M505 PolarHBondContact O-N 3.37Å; M505-L508 PolarHBondContact O-N 3.26Å; M505-Y509 WeakPolarHBondContact O-CB 3.32Å; M505-Y509 PolarHBondContact O-N 2.95Å; M505-F583 HydrophobicContact CB-CD2 4.15Å; M505-F583 HydrophobicContact CB-CE2 3.71Å; M505-F583 HydrophobicContact CB-CZ 4.46Å; M505-F583 HydrophobicContact CG-CD2 4.25Å; M505-F583 HydrophobicContact CG-CE2 4.06Å; M505-F583 WeakPolarHBondContact O-CE2 3.37Å; M505-C586 HydrophobicContact CG-CB 3.82Å; M505-R587 HydrophobicContact SD-CB 4.05Å; M505-Y590 HydrophobicContact CE-CD1 4.29Å; M505-Y590 HydrophobicContact CE-CD2 3.57Å; M505-Y590 HydrophobicContact CE-CE2 4.13Å; M505-Y590 HydrophobicContact CE-CG 3.67Å
506	T	93.4	Very high	92.6	Very high	83 Å²	83	67.8 Å²	67.8	51%	0.509	33%	0.331	S	S	.	.	H	α-helix	trans	-65.1	-41.7	178.2	-54.8	0	0	0	0	111.7	Q502 Q503 M504 Y509 S510	Q502-T506 WeakPolarHBondContact O-CB 3.49Å; Q502-T506 PolarHBondContact O-N 3.37Å; Q502-T506 PolarHBondContact O-OG1 3.25Å; Q503-T506 WeakPolarHBondContact O-CB 3.42Å; Q503-T506 PolarHBondContact O-N 3.17Å; Q503-T506 VanDerWaalsContact O-N 3.14Å; M504-T506 VanDerWaalsContact C-N 3.33Å; M504-T506 PolarHBondContact O-N 3.42Å; T506-Y509 PolarHBondContact O-N 3.14Å; T506-S510 WeakPolarHBondContact O-CB 3.45Å; T506-S510 PolarHBondContact O-N 3.33Å; T506-S510 PolarHBondContact O-OG 3.1Å
507	E	94.3	Very high	92.3	Very high	91 Å²	91	70 Å²	70	43%	0.425	33%	0.33	S	S	.	.	H	α-helix	trans	-65.8	-43.8	175.9	-72	177.3	-164.7	0	0	112.1	Q503 M504 S510 K511	Q503-E507 PolarHBondContact NE2-OE1 3.33Å; Q503-E507 VanDerWaalsContact NE2-OE1 3.12Å; Q503-E507 WeakPolarHBondContact O-CG 3.21Å; Q503-E507 PolarHBondContact O-N 2.94Å; M504-E507 PolarHBondContact O-N 3.37Å; E507-S510 PolarHBondContact O-N 3.07Å; E507-K511 WeakPolarHBondContact O-CG 3.39Å; E507-K511 PolarHBondContact O-N 3.34Å
508	L	92.9	Very high	92	Very high	4 Å²	4	68.7 Å²	68.7	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-63.4	-42.7	176	-74.7	169.1	0	0	0	111.5	M504 M505 S510 K511 M512 Y579 E582 F583	M504-L508 WeakPolarHBondContact O-CB 3.44Å; M504-L508 VanDerWaalsContact O-CG 3.3Å; M504-L508 WeakPolarHBondContact O-CG 3.28Å; M504-L508 PolarHBondContact O-N 2.91Å; M505-L508 PolarHBondContact O-N 3.26Å; L508-S510 VanDerWaalsContact C-N 3.35Å; L508-S510 PolarHBondContact O-N 3.36Å; L508-K511 WeakPolarHBondContact O-CB 3.35Å; L508-K511 PolarHBondContact O-N 3.37Å; L508-M512 WeakPolarHBondContact O-CG 3.39Å; L508-M512 PolarHBondContact O-N 3.12Å; L508-Y579 HydrophobicContact CD2-CD1 4.13Å; L508-E582 HydrophobicContact CD1-CB 4.21Å; L508-E582 HydrophobicContact CD1-CG 3.88Å; L508-E582 HydrophobicContact CD2-CB 4.43Å; L508-E582 HydrophobicContact CD2-CG 4.34Å; L508-E582 WeakPolarHBondContact CD2-OE2 3.14Å; L508-F583 HydrophobicContact CB-CB 4.48Å; L508-F583 HydrophobicContact CB-CD2 4.12Å; L508-F583 HydrophobicContact CD1-CB 4.28Å
509	Y	92.9	Very high	91.6	Very high	90 Å²	90	68.7 Å²	68.7	35%	0.353	33%	0.328	S	S	.	.	H	α-helix	trans	-62.1	-43.3	176.4	-162.8	-94	0	0	0	111.5	M505 T506 K511 M512 E513 L533 H541 F583	M505-Y509 WeakPolarHBondContact O-CB 3.32Å; M505-Y509 PolarHBondContact O-N 2.95Å; T506-Y509 PolarHBondContact O-N 3.14Å; Y509-K511 VanDerWaalsContact C-N 3.32Å; Y509-K511 PolarHBondContact O-N 3.39Å; Y509-M512 WeakPolarHBondContact O-CA 3.46Å; Y509-M512 WeakPolarHBondContact O-CB 3.18Å; Y509-M512 PolarHBondContact O-N 2.9Å; Y509-E513 HydrophobicContact CD1-CG 4.12Å; Y509-E513 HydrophobicContact CE1-CG 3.98Å; Y509-E513 WeakPolarHBondContact CE1-OE1 3.49Å; Y509-E513 PolarHBondContact O-N 2.82Å; Y509-L533 HydrophobicContact CE2-CD2 4.21Å; Y509-H541 AromaticContact CE2-CE1 3.94Å; Y509-F583 HydrophobicContact CD2-CE2 4.36Å
510	S	93.3	Very high	91.1	Very high	51 Å²	51	64.3 Å²	64.3	36%	0.357	31%	0.308	S	S	.	.	H	α-helix	trans	-59.5	-41.7	174.9	-56.7	0	0	0	0	111.9	T506 E507 L508 M512 E513 E514	T506-S510 WeakPolarHBondContact O-CB 3.45Å; T506-S510 PolarHBondContact O-N 3.33Å; T506-S510 PolarHBondContact O-OG 3.1Å; E507-S510 PolarHBondContact O-N 3.07Å; L508-S510 VanDerWaalsContact C-N 3.35Å; L508-S510 PolarHBondContact O-N 3.36Å; S510-M512 VanDerWaalsContact C-N 3.32Å; S510-M512 PolarHBondContact O-N 3.35Å; S510-E513 PolarHBondContact O-N 3.26Å; S510-E514 PolarHBondContact O-N 2.72Å
511	K	93.1	Very high	90.6	Very high	83 Å²	83	63.5 Å²	63.5	36%	0.361	30%	0.304	S	S	.	.	H	α-helix	trans	-62.9	-35.7	173.9	-70.5	170.3	-174.8	166.4	0	112.3	E507 L508 Y509 E514 L515 Y579	E507-K511 WeakPolarHBondContact O-CG 3.39Å; E507-K511 PolarHBondContact O-N 3.34Å; L508-K511 WeakPolarHBondContact O-CB 3.35Å; L508-K511 PolarHBondContact O-N 3.37Å; Y509-K511 VanDerWaalsContact C-N 3.32Å; Y509-K511 PolarHBondContact O-N 3.39Å; K511-E514 PolarHBondContact O-N 2.91Å; K511-L515 WeakPolarHBondContact O-CG 3.4Å; K511-L515 PolarHBondContact O-N 2.87Å; K511-Y579 HydrophobicContact CB-CD2 4.08Å; K511-Y579 HydrophobicContact CB-CE2 3.87Å; K511-Y579 HydrophobicContact CD-CE1 4.29Å
512	M	91.8	Very high	90.1	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-68.5	-39.4	174.6	-64.3	178	-165.6	0	0	112.2	L508 Y509 S510 E514 L515 Q516 L533 H541 L576 Y579 A580 F583	L508-M512 WeakPolarHBondContact O-CG 3.39Å; L508-M512 PolarHBondContact O-N 3.12Å; Y509-M512 WeakPolarHBondContact O-CA 3.46Å; Y509-M512 WeakPolarHBondContact O-CB 3.18Å; Y509-M512 PolarHBondContact O-N 2.9Å; S510-M512 VanDerWaalsContact C-N 3.32Å; S510-M512 PolarHBondContact O-N 3.35Å; M512-E514 VanDerWaalsContact C-N 3.35Å; M512-L515 WeakPolarHBondContact O-CB 3.39Å; M512-L515 PolarHBondContact O-N 3.03Å; M512-Q516 PolarHBondContact O-N 3.25Å; M512-L533 HydrophobicContact CB-CD2 3.84Å; M512-H541 HydrophobicContact SD-CB 4Å; M512-L576 HydrophobicContact CB-CD1 4.13Å; M512-L576 HydrophobicContact CG-CD1 3.91Å; M512-L576 HydrophobicContact SD-CD1 4.39Å; M512-Y579 WeakPolarHBondContact CE-O 3.3Å; M512-A580 HydrophobicContact CE-CB 4.34Å; M512-F583 HydrophobicContact CE-CB 3.57Å; M512-F583 HydrophobicContact CE-CD2 4.41Å; M512-F583 HydrophobicContact CE-CG 4.09Å
513	E	90.2	Very high	89.6	Confident	94 Å²	94	64.1 Å²	64.1	44%	0.439	31%	0.307	S	S	.	.	H	α-helix	trans	-64.3	-39	174	-69.4	-174	146.5	0	0	111.6	Y509 S510 L515 Q516 F517	Y509-E513 HydrophobicContact CD1-CG 4.12Å; Y509-E513 HydrophobicContact CE1-CG 3.98Å; Y509-E513 WeakPolarHBondContact CE1-OE1 3.49Å; Y509-E513 PolarHBondContact O-N 2.82Å; S510-E513 PolarHBondContact O-N 3.26Å; E513-L515 VanDerWaalsContact C-N 3.33Å; E513-L515 PolarHBondContact O-N 2.83Å; E513-Q516 WeakPolarHBondContact O-CB 3.42Å; E513-Q516 PolarHBondContact O-N 2.74Å; E513-F517 PolarHBondContact O-N 2.9Å
514	E	90.5	Very high	88.8	Confident	111 Å²	111	65.1 Å²	65.1	52%	0.519	32%	0.316	S	S	.	.	H	α-helix	trans	-61.8	-40.1	171.7	-73.6	-175.2	-164.9	0	0	112.3	S510 K511 M512 Q516 F517 K518	S510-E514 PolarHBondContact O-N 2.72Å; K511-E514 PolarHBondContact O-N 2.91Å; M512-E514 VanDerWaalsContact C-N 3.35Å; E514-Q516 VanDerWaalsContact C-N 3.35Å; E514-F517 PolarHBondContact O-N 2.92Å; E514-K518 WeakPolarHBondContact O-CG 3.18Å; E514-K518 PolarHBondContact O-N 2.87Å; E514-K518 IonicContact OE2-NZ 2.99Å
515	L	89	Confident	88	Confident	24 Å²	24	62 Å²	62	13%	0.126	30%	0.3	C	S	.	.	H	α-helix	trans	-66.2	-37.3	174	-73.5	-178.4	0	0	0	111.8	K511 M512 E513 F517 K518 C519 F543 K575 L576 Y579	K511-L515 WeakPolarHBondContact O-CG 3.4Å; K511-L515 PolarHBondContact O-N 2.87Å; M512-L515 WeakPolarHBondContact O-CB 3.39Å; M512-L515 PolarHBondContact O-N 3.03Å; E513-L515 VanDerWaalsContact C-N 3.33Å; E513-L515 PolarHBondContact O-N 2.83Å; L515-F517 VanDerWaalsContact C-N 3.32Å; L515-F517 PolarHBondContact O-N 3.13Å; L515-K518 PolarHBondContact O-N 3.4Å; L515-C519 WeakPolarHBondContact O-CB 3.49Å; L515-C519 PolarHBondContact O-N 3.07Å; L515-F543 HydrophobicContact CB-CZ 4.05Å; L515-K575 HydrophobicContact CD1-CB 3.97Å; L515-K575 HydrophobicContact CD2-CD 4.45Å; L515-L576 HydrophobicContact CD1-CB 4.37Å; L515-Y579 HydrophobicContact CD1-CD2 3.61Å; L515-Y579 HydrophobicContact CD1-CE2 3.69Å; L515-Y579 HydrophobicContact CG-CE2 4.28Å
516	Q	89.3	Confident	86.5	Confident	47 Å²	47	66 Å²	66	22%	0.22	32%	0.322	C	S	.	.	H	α-helix	trans	-59.5	-45.3	173.9	-174	-163.8	-6.1	0	0	110.5	M512 E513 E514 C519 S520 V531 F543	M512-Q516 PolarHBondContact O-N 3.25Å; E513-Q516 WeakPolarHBondContact O-CB 3.42Å; E513-Q516 PolarHBondContact O-N 2.74Å; E514-Q516 VanDerWaalsContact C-N 3.35Å; Q516-C519 PolarHBondContact O-N 3.33Å; Q516-S520 WeakPolarHBondContact O-CB 3.47Å; Q516-S520 PolarHBondContact O-N 3.23Å; Q516-V531 HydrophobicContact CG-CG1 4.29Å; Q516-V531 PolarHBondContact NE2-O 3.35Å; Q516-F543 HydrophobicContact CB-CD1 4.45Å; Q516-F543 HydrophobicContact CB-CE1 3.69Å; Q516-F543 HydrophobicContact CB-CZ 4.27Å; Q516-F543 HydrophobicContact CG-CD1 4.42Å; Q516-F543 HydrophobicContact CG-CE1 4.14Å
517	F	86.6	Confident	84.9	Confident	133 Å²	133	63.7 Å²	63.7	58%	0.583	32%	0.315	S	S	*	.	H	α-helix	trans	-65.9	-43.1	178.3	-175.8	-113.8	0	0	0	112.4	E513 E514 L515 S520 Q521	E513-F517 PolarHBondContact O-N 2.9Å; E514-F517 PolarHBondContact O-N 2.92Å; L515-F517 VanDerWaalsContact C-N 3.32Å; L515-F517 PolarHBondContact O-N 3.13Å; F517-S520 WeakPolarHBondContact O-CB 3.48Å; F517-S520 PolarHBondContact O-N 3.39Å; F517-Q521 PolarHBondContact O-N 3.14Å; F517-Q521 VanDerWaalsContact O-N 3.17Å
518	K	86.3	Confident	82.9	Confident	103 Å²	103	69 Å²	69	45%	0.448	34%	0.337	S	S	.	.	H	α-helix	trans	-61.7	-42.9	173.9	-73.2	168.7	-176.3	158.2	0	111.7	E514 L515 Q521 E522	E514-K518 WeakPolarHBondContact O-CG 3.18Å; E514-K518 PolarHBondContact O-N 2.87Å; E514-K518 IonicContact OE2-NZ 2.99Å; L515-K518 PolarHBondContact O-N 3.4Å; K518-Q521 PolarHBondContact O-N 2.96Å; K518-E522 WeakPolarHBondContact O-CG 3.3Å; K518-E522 PolarHBondContact O-N 2.92Å
519	C	85.1	Confident	81.3	Confident	0 Å²	0	75 Å²	75	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-62.9	-42.6	177.6	-178	0	0	0	0	112	L515 Q516 Q521 E522 L523 F543 Y559	L515-C519 WeakPolarHBondContact O-CB 3.49Å; L515-C519 PolarHBondContact O-N 3.07Å; Q516-C519 PolarHBondContact O-N 3.33Å; C519-Q521 VanDerWaalsContact C-N 3.32Å; C519-Q521 PolarHBondContact O-N 2.96Å; C519-E522 PolarHBondContact O-N 3.01Å; C519-L523 WeakPolarHBondContact O-CB 3.25Å; C519-L523 WeakPolarHBondContact O-CG 3.3Å; C519-L523 PolarHBondContact O-N 3.39Å; C519-F543 HydrophobicContact CB-CE2 4.19Å; C519-Y559 WeakPolarHBondContact CA-OH 3.25Å; C519-Y559 HydrophobicContact CB-CE1 4.27Å
520	S	85.1	Confident	80.4	Confident	14 Å²	14	74.2 Å²	74.2	10%	0.098	37%	0.369	C	S	.	.	H	α-helix	trans	-56.5	-44.4	174.3	170.4	0	0	0	0	111.6	Q516 F517 N524 L525	Q516-S520 WeakPolarHBondContact O-CB 3.47Å; Q516-S520 PolarHBondContact O-N 3.23Å; F517-S520 WeakPolarHBondContact O-CB 3.48Å; F517-S520 PolarHBondContact O-N 3.39Å; S520-N524 PolarHBondContact O-N 2.89Å; S520-L525 CarbonylContact O-C 3.59Å; S520-L525 PolarHBondContact O-N 2.99Å; S520-L525 PolarHBondContact OG-O 2.75Å
521	Q	82.3	Confident	80	Confident	100 Å²	100	72 Å²	72	47%	0.467	35%	0.353	S	S	.	.	H	α-helix	trans	-68.1	-45.7	175.7	-68.2	-177.7	36.1	0	0	113.3	F517 K518 C519 L523 N524	F517-Q521 PolarHBondContact O-N 3.14Å; F517-Q521 VanDerWaalsContact O-N 3.17Å; K518-Q521 PolarHBondContact O-N 2.96Å; C519-Q521 VanDerWaalsContact C-N 3.32Å; C519-Q521 PolarHBondContact O-N 2.96Å; Q521-L523 PolarHBondContact O-N 2.98Å; Q521-N524 PolarHBondContact O-N 3.32Å
522	E	83.2	Confident	79.7	Confident	102 Å²	102	72 Å²	72	48%	0.477	35%	0.353	S	S	.	.	H	α-helix	trans	-63	-32.2	-178.7	-76.1	-180	-174.7	0	0	113	K518 C519 N524 Y559	K518-E522 WeakPolarHBondContact O-CG 3.3Å; K518-E522 PolarHBondContact O-N 2.92Å; C519-E522 PolarHBondContact O-N 3.01Å; E522-N524 VanDerWaalsContact C-N 3.34Å; E522-Y559 PolarHBondContact OE2-OH 3.05Å
523	L	81.1	Confident	79.6	Confident	5 Å²	5	73.1 Å²	73.1	3%	0.026	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-1.3	177.2	-61.6	177	0	0	0	112.7	C519 Q521 L525 V552 L553 N556 Y559 F571	C519-L523 WeakPolarHBondContact O-CB 3.25Å; C519-L523 WeakPolarHBondContact O-CG 3.3Å; C519-L523 PolarHBondContact O-N 3.39Å; Q521-L523 PolarHBondContact O-N 2.98Å; L523-L525 HydrophobicContact CB-CB 4.36Å; L523-L525 HydrophobicContact CB-CD1 3.77Å; L523-L525 HydrophobicContact CB-CG 3.83Å; L523-L525 HydrophobicContact CD1-CD1 4.13Å; L523-L525 PolarHBondContact O-N 2.98Å; L523-V552 HydrophobicContact CB-CG1 4.39Å; L523-V552 HydrophobicContact CD2-CG1 4.39Å; L523-V552 WeakPolarHBondContact O-CG1 3.31Å; L523-L553 HydrophobicContact CD1-CD1 4.41Å; L523-N556 HydrophobicContact CD2-CB 4.16Å; L523-Y559 HydrophobicContact CD2-CD2 4.4Å; L523-Y559 HydrophobicContact CD2-CE2 4.35Å; L523-F571 HydrophobicContact CD1-CE2 4.41Å; L523-F571 HydrophobicContact CD1-CZ 4.13Å
524	N	77.9	Confident	79.6	Confident	130 Å²	130	71 Å²	71	70%	0.695	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	37.6	-171	-55	-76.9	0	0	0	112.4	S520 Q521 E522	S520-N524 PolarHBondContact O-N 2.89Å; Q521-N524 PolarHBondContact O-N 3.32Å; E522-N524 VanDerWaalsContact C-N 3.34Å
525	L	76.8	Confident	79.4	Confident	10 Å²	10	68.6 Å²	68.6	5%	0.052	34%	0.344	C	S	.	.			trans	-108	58	179	-64.3	177.6	0	0	0	108.6	S520 L523 G527 Q530 V531 I545 D549	S520-L525 CarbonylContact O-C 3.59Å; S520-L525 PolarHBondContact O-N 2.99Å; S520-L525 PolarHBondContact OG-O 2.75Å; L523-L525 HydrophobicContact CB-CB 4.36Å; L523-L525 HydrophobicContact CB-CD1 3.77Å; L523-L525 HydrophobicContact CB-CG 3.83Å; L523-L525 HydrophobicContact CD1-CD1 4.13Å; L523-L525 PolarHBondContact O-N 2.98Å; L525-G527 PolarHBondContact O-N 2.98Å; L525-G527 VanDerWaalsContact O-N 3.16Å; L525-Q530 VanDerWaalsContact CA-OE1 3.24Å; L525-Q530 HydrophobicContact CB-CB 4.14Å; L525-V531 HydrophobicContact CB-CG2 4.19Å; L525-V531 HydrophobicContact CD1-CG2 4.03Å; L525-I545 HydrophobicContact CD1-CG2 3.99Å; L525-D549 HydrophobicContact CD1-CB 4.27Å; L525-D549 HydrophobicContact CD2-CB 4.22Å
526	D	61.4	Low	79.3	Confident	110 Å²	110	69.6 Å²	69.6	59%	0.588	35%	0.351	S	S	*	.			trans	-75.8	0.8	-167.5	-59.2	-33	0	0	0	114.4	K528	D526-K528 PolarHBondContact O-N 3.36Å
527	G	59.9	Low	78.6	Confident	35 Å²	35	72.7 Å²	72.7	36%	0.361	39%	0.385	S	S	.	.	S	Bend	trans	-70.9	123.1	171.4	0	0	0	0	0	110.1	L525 N529 Q530	L525-G527 PolarHBondContact O-N 2.98Å; L525-G527 VanDerWaalsContact O-N 3.16Å; G527-N529 PolarHBondContact O-N 3.12Å; G527-Q530 PolarHBondContact O-N 2.97Å
528	K	52	Low	78.2	Confident	204 Å²	204	76 Å²	76	89%	0.887	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.9	-7.2	179.7	-85.9	-173.5	174	-176.1	0	116.9	D526	D526-K528 PolarHBondContact O-N 3.36Å
529	N	58.9	Low	77.8	Confident	129 Å²	129	74.6 Å²	74.6	69%	0.69	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.2	8.6	-177.3	-77.9	-28.6	0	0	0	115	G527 K532	G527-N529 PolarHBondContact O-N 3.12Å; N529-K532 WeakPolarHBondContact O-CE 3.39Å
530	Q	74.4	Confident	77.8	Confident	74 Å²	74	76 Å²	76	35%	0.346	41%	0.41	S	S	.	.	S	Bend	trans	-85.2	-42.5	-176	-75.1	-174.2	-16.4	0	0	113.7	L525 G527	L525-Q530 VanDerWaalsContact CA-OE1 3.24Å; L525-Q530 HydrophobicContact CB-CB 4.14Å; G527-Q530 PolarHBondContact O-N 2.97Å
531	V	84.4	Confident	78.1	Confident	4 Å²	4	76.4 Å²	76.4	2%	0.024	41%	0.411	C	S	.	.	S	Bend	trans	-101.2	117	169.7	-174.5	0	0	0	0	107.9	Q516 L525 F543 I545 F571	Q516-V531 HydrophobicContact CG-CG1 4.29Å; Q516-V531 PolarHBondContact NE2-O 3.35Å; L525-V531 HydrophobicContact CB-CG2 4.19Å; L525-V531 HydrophobicContact CD1-CG2 4.03Å; V531-F543 HydrophobicContact CG1-CB 4.02Å; V531-F543 HydrophobicContact CG1-CD1 4.21Å; V531-F543 HydrophobicContact CG1-CG 4.1Å; V531-I545 HydrophobicContact CB-CG2 4.3Å; V531-I545 HydrophobicContact CG1-CG2 4.48Å; V531-I545 HydrophobicContact CG2-CG2 3.76Å; V531-F571 HydrophobicContact CG1-CZ 4.15Å
532	K	88.1	Confident	78.5	Confident	83 Å²	83	71.8 Å²	71.8	36%	0.361	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.8	179.5	-65.5	-175.2	176.3	-171.9	0	110.9	N529 E534 F543 R544	N529-K532 WeakPolarHBondContact O-CE 3.39Å; K532-E534 HydrophobicContact CB-CG 4.35Å; K532-F543 CarbonylContact O-C 3.56Å; K532-F543 VanDerWaalsContact O-CA 3.28Å; K532-F543 WeakPolarHBondContact O-CA 3.47Å; K532-R544 PolarHBondContact N-O 3.15Å; K532-R544 PolarHBondContact O-N 2.96Å
533	L	90.3	Very high	78.9	Confident	24 Å²	24	67 Å²	67	13%	0.126	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	117	166.3	-177.9	63.2	0	0	0	108.7	Y509 M512 H541 F543 L576	Y509-L533 HydrophobicContact CE2-CD2 4.21Å; M512-L533 HydrophobicContact CB-CD2 3.84Å; L533-H541 HydrophobicContact CD1-CB 4.3Å; L533-F543 HydrophobicContact CD1-CD1 4.04Å; L533-F543 HydrophobicContact CD1-CE1 3.9Å; L533-L576 HydrophobicContact CD1-CD1 4.3Å
534	E	88.9	Confident	79.4	Confident	49 Å²	49	69.1 Å²	69.1	23%	0.229	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	156.8	179.5	-70.9	-175.1	176.4	0	0	110.7	K532 H541 H542 R544	K532-E534 HydrophobicContact CB-CG 4.35Å; E534-H541 CarbonylContact O-C 3.52Å; E534-H541 WeakPolarHBondContact O-CA 2.94Å; E534-H542 PolarHBondContact N-O 2.91Å; E534-H542 PolarHBondContact O-N 3.44Å; E534-H542 PolarHBondContact O-ND1 3.23Å; E534-R544 IonicContact OE1-CZ 3.98Å; E534-R544 IonicContact OE1-NE 2.76Å; E534-R544 PolarHBondContact OE1-NE 2.81Å; E534-R544 IonicContact OE1-NH2 3.78Å; E534-R544 PolarHBondContact OE1-NH2 2.79Å; E534-R544 VanDerWaalsContact OE2-CD 3.31Å; E534-R544 WeakPolarHBondContact OE2-CD 3.25Å; E534-R544 IonicContact OE2-CZ 3.95Å; E534-R544 IonicContact OE2-NE 2.82Å; E534-R544 PolarHBondContact OE2-NE 3.2Å
535	S	86.3	Confident	79.9	Confident	61 Å²	61	63.1 Å²	63.1	43%	0.427	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	132.4	175.2	-169.3	0	0	0	0	110.1	G540	S535-G540 WeakPolarHBondContact CA-O 3.44Å
536	V	86.4	Confident	80.4	Confident	44 Å²	44	65.5 Å²	65.5	27%	0.267	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	133.6	175.6	168.2	0	0	0	0	108.1	K538 L539 G540	V536-K538 PolarHBondContact O-N 3.26Å; V536-L539 HydrophobicContact CB-CB 4.35Å; V536-L539 PolarHBondContact O-N 2.97Å; V536-G540 PolarHBondContact N-O 3.06Å; V536-G540 PolarHBondContact O-N 3.26Å
537	A	76.1	Confident	81.4	Confident	113 Å²	113	64.2 Å²	64.2	93%	0.934	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-34.7	-172.5	0	0	0	0	0	115.2
538	K	78.4	Confident	82.5	Confident	203 Å²	203	71.2 Å²	71.2	88%	0.883	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-21.6	178.1	-70	-172	178.2	-176.1	0	115.1	V536	V536-K538 PolarHBondContact O-N 3.26Å
539	L	77.4	Confident	83.9	Confident	73 Å²	73	63 Å²	63	38%	0.382	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-11.8	-170.3	-64.1	176.2	0	0	0	113.3	V536 V562	V536-L539 HydrophobicContact CB-CB 4.35Å; V536-L539 PolarHBondContact O-N 2.97Å; L539-V562 HydrophobicContact CD1-CG1 4.03Å; L539-V562 HydrophobicContact CD2-CG1 3.62Å; L539-V562 HydrophobicContact CG-CG1 4.35Å
540	G	84.6	Confident	85	Confident	29 Å²	29	58.1 Å²	58.1	30%	0.299	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	66.5	-157.3	-172.7	0	0	0	0	0	112.9	S535 V536 H542	S535-G540 WeakPolarHBondContact CA-O 3.44Å; V536-G540 PolarHBondContact N-O 3.06Å; V536-G540 PolarHBondContact O-N 3.26Å; G540-H542 PolarHBondContact O-ND1 3.24Å
541	H	90.7	Very high	85.3	Confident	22 Å²	22	58 Å²	58	10%	0.102	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	127.1	177.6	-71.6	-87.3	0	0	0	111	Y509 M512 L533 E534 A580 F583	Y509-H541 AromaticContact CE2-CE1 3.94Å; M512-H541 HydrophobicContact SD-CB 4Å; L533-H541 HydrophobicContact CD1-CB 4.3Å; E534-H541 CarbonylContact O-C 3.52Å; E534-H541 WeakPolarHBondContact O-CA 2.94Å; H541-A580 HydrophobicContact CB-CB 4.07Å; H541-F583 AromaticContact CD2-CD1 3.81Å; H541-F583 AromaticContact NE2-CD1 3.63Å; H541-F583 AromaticContact NE2-CE1 3.4Å; H541-F583 WeakPolarHBondContact NE2-CE1 3.36Å
542	H	91.6	Very high	85.1	Confident	3 Å²	3	60.1 Å²	60.1	1%	0.014	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	162.9	-178.3	59.1	-79.9	0	0	0	110.7	E534 G540 R570	E534-H542 PolarHBondContact N-O 2.91Å; E534-H542 PolarHBondContact O-N 3.44Å; E534-H542 PolarHBondContact O-ND1 3.23Å; G540-H542 PolarHBondContact O-ND1 3.24Å; H542-R570 WeakPolarHBondContact NE2-CD 3.29Å; H542-R570 WeakPolarHBondContact NE2-CG 3.29Å; H542-R570 PolarHBondContact NE2-NE 2.92Å
543	F	91.8	Very high	84.9	Confident	1 Å²	1	56.2 Å²	56.2	0%	0.004	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	146.6	172.4	-60.9	-43.4	0	0	0	111.3	L515 Q516 C519 V531 K532 L533 R570 F571 L576	L515-F543 HydrophobicContact CB-CZ 4.05Å; Q516-F543 HydrophobicContact CB-CD1 4.45Å; Q516-F543 HydrophobicContact CB-CE1 3.69Å; Q516-F543 HydrophobicContact CB-CZ 4.27Å; Q516-F543 HydrophobicContact CG-CD1 4.42Å; Q516-F543 HydrophobicContact CG-CE1 4.14Å; C519-F543 HydrophobicContact CB-CE2 4.19Å; V531-F543 HydrophobicContact CG1-CB 4.02Å; V531-F543 HydrophobicContact CG1-CD1 4.21Å; V531-F543 HydrophobicContact CG1-CG 4.1Å; K532-F543 CarbonylContact O-C 3.56Å; K532-F543 VanDerWaalsContact O-CA 3.28Å; K532-F543 WeakPolarHBondContact O-CA 3.47Å; L533-F543 HydrophobicContact CD1-CD1 4.04Å; L533-F543 HydrophobicContact CD1-CE1 3.9Å; F543-R570 CarbonylContact O-C 3.26Å; F543-R570 VanDerWaalsContact O-CA 3.28Å; F543-R570 WeakPolarHBondContact O-CA 3.49Å; F543-F571 HydrophobicContact CB-CD1 4.06Å; F543-F571 HydrophobicContact CB-CD2 4.14Å; F543-F571 HydrophobicContact CB-CE1 3.62Å; F543-F571 HydrophobicContact CB-CE2 3.75Å; F543-F571 HydrophobicContact CB-CG 4.3Å; F543-F571 HydrophobicContact CB-CZ 3.47Å; F543-F571 VanDerWaalsContact CB-CZ 3.47Å; F543-F571 HydrophobicContact CD2-CD2 4.29Å; F543-F571 AromaticContact CD2-CE2 3.75Å; F543-F571 HydrophobicContact CD2-CE2 3.75Å; F543-F571 HydrophobicContact CD2-CZ 4.19Å; F543-F571 HydrophobicContact CG-CE2 4.21Å; F543-F571 HydrophobicContact CG-CZ 4.22Å; F543-F571 PolarHBondContact N-O 3.4Å; F543-F571 PolarHBondContact O-N 2.86Å; F543-L576 HydrophobicContact CD1-CD2 4.12Å; F543-L576 HydrophobicContact CD2-CD2 3.74Å; F543-L576 HydrophobicContact CE1-CD1 4.21Å; F543-L576 HydrophobicContact CE1-CD2 4Å; F543-L576 HydrophobicContact CE2-CB 4.41Å; F543-L576 HydrophobicContact CE2-CD2 3.64Å; F543-L576 HydrophobicContact CE2-CG 4.41Å; F543-L576 HydrophobicContact CG-CD2 3.98Å; F543-L576 HydrophobicContact CZ-CD1 3.93Å; F543-L576 HydrophobicContact CZ-CD2 3.77Å; F543-L576 HydrophobicContact CZ-CG 4.31Å
544	R	90.6	Very high	84.5	Confident	51 Å²	51	62.3 Å²	62.3	19%	0.192	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.3	171.6	-175.4	176.8	66.1	111.2	-8.8	110.9	K532 E534 G567 V569 R570	K532-R544 PolarHBondContact N-O 3.15Å; K532-R544 PolarHBondContact O-N 2.96Å; E534-R544 IonicContact OE1-CZ 3.98Å; E534-R544 IonicContact OE1-NE 2.76Å; E534-R544 PolarHBondContact OE1-NE 2.81Å; E534-R544 IonicContact OE1-NH2 3.78Å; E534-R544 PolarHBondContact OE1-NH2 2.79Å; E534-R544 VanDerWaalsContact OE2-CD 3.31Å; E534-R544 WeakPolarHBondContact OE2-CD 3.25Å; E534-R544 IonicContact OE2-CZ 3.95Å; E534-R544 IonicContact OE2-NE 2.82Å; E534-R544 PolarHBondContact OE2-NE 3.2Å; R544-G567 PolarHBondContact NH1-O 3.47Å; R544-V569 WeakPolarHBondContact CA-O 3.18Å; R544-R570 HydrophobicContact CG-CG 4.47Å
545	I	89.9	Confident	84.1	Confident	3 Å²	3	68.2 Å²	68.2	2%	0.015	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	168.4	169.4	56	170	0	0	0	111.1	L525 V531 D549 L553 G568 V569 F571	L525-I545 HydrophobicContact CD1-CG2 3.99Å; V531-I545 HydrophobicContact CB-CG2 4.3Å; V531-I545 HydrophobicContact CG1-CG2 4.48Å; V531-I545 HydrophobicContact CG2-CG2 3.76Å; I545-D549 HydrophobicContact CB-CB 4.48Å; I545-D549 HydrophobicContact CD1-CB 4.14Å; I545-L553 HydrophobicContact CD1-CB 3.7Å; I545-L553 HydrophobicContact CD1-CD2 3.8Å; I545-L553 HydrophobicContact CD1-CG 4.29Å; I545-L553 HydrophobicContact CG1-CD2 4.44Å; I545-G568 CarbonylContact O-C 3.48Å; I545-G568 WeakPolarHBondContact O-CA 3.31Å; I545-V569 HydrophobicContact CG1-CB 4.19Å; I545-V569 PolarHBondContact N-O 3.37Å; I545-V569 PolarHBondContact O-N 2.97Å; I545-F571 HydrophobicContact CB-CE1 4.2Å; I545-F571 HydrophobicContact CD1-CE1 4.21Å; I545-F571 HydrophobicContact CG1-CD1 4.19Å; I545-F571 HydrophobicContact CG1-CE1 3.82Å; I545-F571 HydrophobicContact CG2-CE1 3.65Å; I545-F571 HydrophobicContact CG2-CZ 4.12Å
546	T	86.3	Confident	83.7	Confident	60 Å²	60	67.2 Å²	67.2	37%	0.368	35%	0.352	S	S	.	.			trans	-73.2	156.2	175.1	83.9	0	0	0	0	111.4	K548 D549	T546-K548 PolarHBondContact O-N 2.69Å; T546-K548 VanDerWaalsContact O-N 3.17Å; T546-K548 PolarHBondContact OG1-N 2.9Å; T546-D549 PolarHBondContact O-N 2.91Å; T546-D549 PolarHBondContact OG1-OD2 2.95Å
547	V	83.4	Confident	83.2	Confident	83 Å²	83	74.9 Å²	74.9	50%	0.503	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-60.8	-25.8	178.4	-177.3	0	0	0	0	112.2	D549 D550	V547-D549 PolarHBondContact O-N 3.08Å; V547-D550 WeakPolarHBondContact O-CB 3.22Å; V547-D550 PolarHBondContact O-N 3.46Å
548	K	81.5	Confident	83.5	Confident	183 Å²	183	74.8 Å²	74.8	80%	0.796	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-66.2	-29.8	177.6	-63.4	-177.4	179.2	-179.6	0	112.3	T546	T546-K548 PolarHBondContact O-N 2.69Å; T546-K548 VanDerWaalsContact O-N 3.17Å; T546-K548 PolarHBondContact OG1-N 2.9Å
549	D	81.4	Confident	83.9	Confident	30 Å²	30	66.6 Å²	66.6	16%	0.16	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-95.4	-1.8	-173.4	-50.5	-45.6	0	0	0	112.5	L525 I545 T546 V547 S551 V552 L553	L525-D549 HydrophobicContact CD1-CB 4.27Å; L525-D549 HydrophobicContact CD2-CB 4.22Å; I545-D549 HydrophobicContact CB-CB 4.48Å; I545-D549 HydrophobicContact CD1-CB 4.14Å; T546-D549 PolarHBondContact O-N 2.91Å; T546-D549 PolarHBondContact OG1-OD2 2.95Å; V547-D549 PolarHBondContact O-N 3.08Å; D549-S551 PolarHBondContact O-N 3.35Å; D549-S551 VanDerWaalsContact O-N 3.17Å; D549-V552 WeakPolarHBondContact O-CB 3.4Å; D549-V552 PolarHBondContact O-N 3.31Å; D549-L553 PolarHBondContact O-N 3.09Å
550	D	82.7	Confident	84.3	Confident	28 Å²	28	68.8 Å²	68.8	15%	0.15	33%	0.333	C	S	.	.	H	α-helix	trans	-55	-35.1	178.1	-176.1	47	0	0	0	112.5	V547 V552 L553 R554 V569	V547-D550 WeakPolarHBondContact O-CB 3.22Å; V547-D550 PolarHBondContact O-N 3.46Å; D550-V552 PolarHBondContact O-N 3.12Å; D550-L553 PolarHBondContact O-N 3.05Å; D550-R554 WeakPolarHBondContact O-CG 3.39Å; D550-R554 PolarHBondContact O-N 3.33Å; D550-R554 IonicContact OD1-CZ 3.8Å; D550-R554 IonicContact OD1-NE 3.39Å; D550-R554 PolarHBondContact OD1-NE 3.42Å; D550-R554 IonicContact OD1-NH2 3.75Å; D550-R554 IonicContact OD2-CZ 2.76Å; D550-R554 IonicContact OD2-NE 3.02Å; D550-R554 PolarHBondContact OD2-NE 3.48Å; D550-R554 IonicContact OD2-NH2 3.53Å; D550-R554 PolarHBondContact OD2-NH2 3.31Å; D550-V569 HydrophobicContact CB-CG2 3.85Å
551	S	80.5	Confident	84.5	Confident	70 Å²	70	69.9 Å²	69.9	49%	0.49	33%	0.332	S	S	.	.	H	α-helix	trans	-64.3	-27.5	179.1	70.3	0	0	0	0	113.5	D549 K555	D549-S551 PolarHBondContact O-N 3.35Å; D549-S551 VanDerWaalsContact O-N 3.17Å; S551-K555 WeakPolarHBondContact O-CD 3.33Å; S551-K555 WeakPolarHBondContact O-CG 3.42Å
552	V	81.3	Confident	84.4	Confident	49 Å²	49	71.6 Å²	71.6	30%	0.297	34%	0.344	S	S	.	.	H	α-helix	trans	-80.2	-41.1	177.3	-177.5	0	0	0	0	109.9	L523 D549 D550 K555	L523-V552 HydrophobicContact CB-CG1 4.39Å; L523-V552 HydrophobicContact CD2-CG1 4.39Å; L523-V552 WeakPolarHBondContact O-CG1 3.31Å; D549-V552 WeakPolarHBondContact O-CB 3.4Å; D549-V552 PolarHBondContact O-N 3.31Å; D550-V552 PolarHBondContact O-N 3.12Å; V552-K555 PolarHBondContact O-N 3.37Å
553	L	82.4	Confident	84.2	Confident	2 Å²	2	74.9 Å²	74.9	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-60.3	-47.4	176.3	-179.8	65.8	0	0	0	112.2	L523 I545 D549 D550 K555 N556 Y559 I561 V569 F571	L523-L553 HydrophobicContact CD1-CD1 4.41Å; I545-L553 HydrophobicContact CD1-CB 3.7Å; I545-L553 HydrophobicContact CD1-CD2 3.8Å; I545-L553 HydrophobicContact CD1-CG 4.29Å; I545-L553 HydrophobicContact CG1-CD2 4.44Å; D549-L553 PolarHBondContact O-N 3.09Å; D550-L553 PolarHBondContact O-N 3.05Å; L553-K555 PolarHBondContact O-N 3.47Å; L553-K555 VanDerWaalsContact O-N 3.13Å; L553-N556 PolarHBondContact O-N 3.07Å; L553-Y559 HydrophobicContact CD1-CG 4.2Å; L553-I561 HydrophobicContact CD2-CD1 4.21Å; L553-I561 HydrophobicContact CD2-CG1 3.78Å; L553-I561 HydrophobicContact CG-CG1 4.35Å; L553-V569 HydrophobicContact CD2-CG1 3.9Å; L553-F571 HydrophobicContact CD1-CB 4.29Å; L553-F571 HydrophobicContact CD1-CD1 4.09Å; L553-F571 HydrophobicContact CD1-CD2 3.53Å; L553-F571 HydrophobicContact CD1-CE1 4.29Å; L553-F571 HydrophobicContact CD1-CE2 3.72Å; L553-F571 HydrophobicContact CD1-CG 3.71Å; L553-F571 HydrophobicContact CD1-CZ 4.11Å; L553-F571 HydrophobicContact CD2-CB 3.77Å; L553-F571 HydrophobicContact CD2-CD1 3.61Å; L553-F571 HydrophobicContact CD2-CD2 4.36Å; L553-F571 HydrophobicContact CD2-CE1 4.28Å; L553-F571 HydrophobicContact CD2-CG 3.65Å; L553-F571 HydrophobicContact CG-CG 4.34Å
554	R	81.6	Confident	84	Confident	151 Å²	151	78.5 Å²	78.5	57%	0.57	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.3	-179.5	-70	-179	-169	-83.9	-8	114.4	D550 I561	D550-R554 WeakPolarHBondContact O-CG 3.39Å; D550-R554 PolarHBondContact O-N 3.33Å; D550-R554 IonicContact OD1-CZ 3.8Å; D550-R554 IonicContact OD1-NE 3.39Å; D550-R554 PolarHBondContact OD1-NE 3.42Å; D550-R554 IonicContact OD1-NH2 3.75Å; D550-R554 IonicContact OD2-CZ 2.76Å; D550-R554 IonicContact OD2-NE 3.02Å; D550-R554 PolarHBondContact OD2-NE 3.48Å; D550-R554 IonicContact OD2-NH2 3.53Å; D550-R554 PolarHBondContact OD2-NH2 3.31Å; R554-I561 HydrophobicContact CG-CD1 3.81Å
555	K	80.9	Confident	83.8	Confident	173 Å²	173	78.5 Å²	78.5	75%	0.752	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-20.6	176.4	-71.3	172.2	-177.1	177.8	0	112.5	S551 V552 L553	S551-K555 WeakPolarHBondContact O-CD 3.33Å; S551-K555 WeakPolarHBondContact O-CG 3.42Å; V552-K555 PolarHBondContact O-N 3.37Å; L553-K555 PolarHBondContact O-N 3.47Å; L553-K555 VanDerWaalsContact O-N 3.13Å
556	N	78	Confident	83.3	Confident	40 Å²	40	88.9 Å²	88.9	21%	0.214	43%	0.431	C	S	.	.			trans	-99.7	119.7	-178.1	-163.8	-22	0	0	0	110.5	L523 L553 N558 Y559	L523-N556 HydrophobicContact CD2-CB 4.16Å; L553-N556 PolarHBondContact O-N 3.07Å; N556-N558 VanDerWaalsContact C-N 3.27Å; N556-N558 PolarHBondContact O-N 2.94Å; N556-N558 WeakPolarHBondContact OD1-CB 3.4Å; N556-N558 PolarHBondContact OD1-N 3.23Å; N556-Y559 HydrophobicContact CB-CD2 4.19Å
557	K	76.9	Confident	83	Confident	206 Å²	206	88.2 Å²	88.2	90%	0.896	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-10.7	-176.9	-66.2	-175.5	179.6	-178.9	0	113.8	Y559	K557-Y559 VanDerWaalsContact C-N 3.26Å; K557-Y559 PolarHBondContact O-N 3.44Å
558	N	81.2	Confident	83.2	Confident	111 Å²	111	84.2 Å²	84.2	59%	0.594	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-6.4	-176.5	-63.8	-11.6	0	0	0	113.6	N556	N556-N558 VanDerWaalsContact C-N 3.27Å; N556-N558 PolarHBondContact O-N 2.94Å; N556-N558 WeakPolarHBondContact OD1-CB 3.4Å; N556-N558 PolarHBondContact OD1-N 3.23Å
559	Y	86.3	Confident	83.5	Confident	31 Å²	31	75.5 Å²	75.5	12%	0.122	37%	0.374	C	S	.	.			trans	-124.2	137.7	-175	-63.2	-75.9	0	0	0	111.3	C519 E522 L523 L553 N556 K557 F571 T572	C519-Y559 WeakPolarHBondContact CA-OH 3.25Å; C519-Y559 HydrophobicContact CB-CE1 4.27Å; E522-Y559 PolarHBondContact OE2-OH 3.05Å; L523-Y559 HydrophobicContact CD2-CD2 4.4Å; L523-Y559 HydrophobicContact CD2-CE2 4.35Å; L553-Y559 HydrophobicContact CD1-CG 4.2Å; N556-Y559 HydrophobicContact CB-CD2 4.19Å; K557-Y559 VanDerWaalsContact C-N 3.26Å; K557-Y559 PolarHBondContact O-N 3.44Å; Y559-F571 AromaticContact CD1-CD2 3.85Å; Y559-F571 HydrophobicContact CD1-CD2 3.85Å; Y559-F571 AromaticContact CD1-CE2 3.77Å; Y559-F571 HydrophobicContact CD1-CE2 3.77Å; Y559-F571 HydrophobicContact CE1-CE2 4.28Å; Y559-F571 HydrophobicContact CG-CD2 4.1Å; Y559-F571 HydrophobicContact CG-CE2 4.13Å; Y559-T572 CarbonylContact C-O 3.49Å; Y559-T572 WeakPolarHBondContact CA-O 3.38Å
560	R	87.5	Confident	84	Confident	119 Å²	119	75.9 Å²	75.9	45%	0.449	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123	-178.8	-170.9	176.8	78.1	-148.8	4.7	110.2	F571 T572 E577	R560-F571 CarbonylContact O-C 3.58Å; R560-F571 WeakPolarHBondContact O-CA 3.43Å; R560-F571 VanDerWaalsContact O-CB 3.32Å; R560-F571 WeakPolarHBondContact O-CB 3.45Å; R560-T572 HydrophobicContact CB-CG2 4.34Å; R560-T572 PolarHBondContact N-O 3.1Å; R560-T572 PolarHBondContact O-N 3.09Å; R560-E577 IonicContact CZ-OE1 3.71Å; R560-E577 IonicContact CZ-OE2 3.3Å; R560-E577 VanDerWaalsContact CZ-OE2 3.3Å; R560-E577 IonicContact NH1-OE1 3.74Å; R560-E577 IonicContact NH1-OE2 2.91Å; R560-E577 PolarHBondContact NH1-OE2 2.82Å; R560-E577 IonicContact NH2-OE1 2.74Å; R560-E577 PolarHBondContact NH2-OE1 3.48Å; R560-E577 IonicContact NH2-OE2 2.98Å; R560-E577 PolarHBondContact NH2-OE2 2.78Å
561	I	89	Confident	84.4	Confident	52 Å²	52	74.6 Å²	74.6	27%	0.267	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	129.4	175	-61.1	171.7	0	0	0	108.9	L553 R554 V564 V569	L553-I561 HydrophobicContact CD2-CD1 4.21Å; L553-I561 HydrophobicContact CD2-CG1 3.78Å; L553-I561 HydrophobicContact CG-CG1 4.35Å; R554-I561 HydrophobicContact CG-CD1 3.81Å; I561-V564 HydrophobicContact CG2-CG2 4.27Å; I561-V569 HydrophobicContact CD1-CG1 4.49Å; I561-V569 HydrophobicContact CG1-CG1 4.33Å; I561-V569 HydrophobicContact CG2-CG1 3.82Å
562	V	87.6	Confident	84.9	Confident	58 Å²	58	71.7 Å²	71.7	35%	0.352	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-50.1	-178.4	178.3	0	0	0	0	110.6	L539 R570 T572	L539-V562 HydrophobicContact CD1-CG1 4.03Å; L539-V562 HydrophobicContact CD2-CG1 3.62Å; L539-V562 HydrophobicContact CG-CG1 4.35Å; V562-R570 PolarHBondContact N-O 3.01Å; V562-T572 HydrophobicContact CG2-CG2 3.81Å
563	D	87.9	Confident	85.4	Confident	71 Å²	71	70 Å²	70	38%	0.38	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	154.9	-177.5	-171.9	20.3	0	0	0	111.1	I565 R570	D563-I565 WeakPolarHBondContact OD2-CG2 2.97Å; D563-R570 PolarHBondContact N-O 3.06Å; D563-R570 PolarHBondContact O-N 3.3Å
564	V	86.5	Confident	85.6	Confident	77 Å²	77	76.2 Å²	76.2	47%	0.467	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	111.1	176.7	-179.7	0	0	0	0	108.9	I561 V569	I561-V564 HydrophobicContact CG2-CG2 4.27Å; V564-V569 HydrophobicContact CG1-CG2 4.22Å; V564-V569 HydrophobicContact CG2-CG1 4.22Å; V564-V569 HydrophobicContact CG2-CG2 4.29Å
565	I	86.9	Confident	86	Confident	51 Å²	51	76 Å²	76	26%	0.262	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	161.2	179.3	57.3	165.4	0	0	0	111	D563 G567 G568	D563-I565 WeakPolarHBondContact OD2-CG2 2.97Å; I565-G567 PolarHBondContact O-N 3.48Å; I565-G568 WeakPolarHBondContact CG1-O 3.45Å; I565-G568 PolarHBondContact N-O 2.87Å; I565-G568 PolarHBondContact O-N 2.99Å
566	K	79.9	Confident	86.5	Confident	221 Å²	221	67.8 Å²	67.8	96%	0.961	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-26.7	176.3	-72.9	-174.6	178.4	179.6	0	113.3
567	G	78.9	Confident	87	Confident	46 Å²	46	68.9 Å²	68.9	47%	0.474	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-2.6	178.9	0	0	0	0	0	116	R544 I565	R544-G567 PolarHBondContact NH1-O 3.47Å; I565-G567 PolarHBondContact O-N 3.48Å
568	G	87.4	Confident	87.7	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.1	176.9	-177.1	0	0	0	0	0	114.7	I545 I565	I545-G568 CarbonylContact O-C 3.48Å; I545-G568 WeakPolarHBondContact O-CA 3.31Å; I565-G568 WeakPolarHBondContact CG1-O 3.45Å; I565-G568 PolarHBondContact N-O 2.87Å; I565-G568 PolarHBondContact O-N 2.99Å
569	V	89.1	Confident	88.2	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126	176	-178.8	0	0	0	0	109.1	R544 I545 D550 L553 I561 V564	R544-V569 WeakPolarHBondContact CA-O 3.18Å; I545-V569 HydrophobicContact CG1-CB 4.19Å; I545-V569 PolarHBondContact N-O 3.37Å; I545-V569 PolarHBondContact O-N 2.97Å; D550-V569 HydrophobicContact CB-CG2 3.85Å; L553-V569 HydrophobicContact CD2-CG1 3.9Å; I561-V569 HydrophobicContact CD1-CG1 4.49Å; I561-V569 HydrophobicContact CG1-CG1 4.33Å; I561-V569 HydrophobicContact CG2-CG1 3.82Å; V564-V569 HydrophobicContact CG1-CG2 4.22Å; V564-V569 HydrophobicContact CG2-CG1 4.22Å; V564-V569 HydrophobicContact CG2-CG2 4.29Å
570	R	91.3	Very high	88.4	Confident	38 Å²	38	58 Å²	58	14%	0.143	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.1	177.3	-67.8	177.1	167.7	158.3	-0.8	109.9	H542 F543 R544 V562 D563	H542-R570 WeakPolarHBondContact NE2-CD 3.29Å; H542-R570 WeakPolarHBondContact NE2-CG 3.29Å; H542-R570 PolarHBondContact NE2-NE 2.92Å; F543-R570 CarbonylContact O-C 3.26Å; F543-R570 VanDerWaalsContact O-CA 3.28Å; F543-R570 WeakPolarHBondContact O-CA 3.49Å; R544-R570 HydrophobicContact CG-CG 4.47Å; V562-R570 PolarHBondContact N-O 3.01Å; D563-R570 PolarHBondContact N-O 3.06Å; D563-R570 PolarHBondContact O-N 3.3Å
571	F	90.8	Very high	88.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	164.2	-177.9	68.3	-81.2	0	0	0	111.7	L523 V531 F543 I545 L553 Y559 R560	L523-F571 HydrophobicContact CD1-CE2 4.41Å; L523-F571 HydrophobicContact CD1-CZ 4.13Å; V531-F571 HydrophobicContact CG1-CZ 4.15Å; F543-F571 HydrophobicContact CB-CD1 4.06Å; F543-F571 HydrophobicContact CB-CD2 4.14Å; F543-F571 HydrophobicContact CB-CE1 3.62Å; F543-F571 HydrophobicContact CB-CE2 3.75Å; F543-F571 HydrophobicContact CB-CG 4.3Å; F543-F571 HydrophobicContact CB-CZ 3.47Å; F543-F571 VanDerWaalsContact CB-CZ 3.47Å; F543-F571 HydrophobicContact CD2-CD2 4.29Å; F543-F571 AromaticContact CD2-CE2 3.75Å; F543-F571 HydrophobicContact CD2-CE2 3.75Å; F543-F571 HydrophobicContact CD2-CZ 4.19Å; F543-F571 HydrophobicContact CG-CE2 4.21Å; F543-F571 HydrophobicContact CG-CZ 4.22Å; F543-F571 PolarHBondContact N-O 3.4Å; F543-F571 PolarHBondContact O-N 2.86Å; I545-F571 HydrophobicContact CB-CE1 4.2Å; I545-F571 HydrophobicContact CD1-CE1 4.21Å; I545-F571 HydrophobicContact CG1-CD1 4.19Å; I545-F571 HydrophobicContact CG1-CE1 3.82Å; I545-F571 HydrophobicContact CG2-CE1 3.65Å; I545-F571 HydrophobicContact CG2-CZ 4.12Å; L553-F571 HydrophobicContact CD1-CB 4.29Å; L553-F571 HydrophobicContact CD1-CD1 4.09Å; L553-F571 HydrophobicContact CD1-CD2 3.53Å; L553-F571 HydrophobicContact CD1-CE1 4.29Å; L553-F571 HydrophobicContact CD1-CE2 3.72Å; L553-F571 HydrophobicContact CD1-CG 3.71Å; L553-F571 HydrophobicContact CD1-CZ 4.11Å; L553-F571 HydrophobicContact CD2-CB 3.77Å; L553-F571 HydrophobicContact CD2-CD1 3.61Å; L553-F571 HydrophobicContact CD2-CD2 4.36Å; L553-F571 HydrophobicContact CD2-CE1 4.28Å; L553-F571 HydrophobicContact CD2-CG 3.65Å; L553-F571 HydrophobicContact CG-CG 4.34Å; Y559-F571 AromaticContact CD1-CD2 3.85Å; Y559-F571 HydrophobicContact CD1-CD2 3.85Å; Y559-F571 AromaticContact CD1-CE2 3.77Å; Y559-F571 HydrophobicContact CD1-CE2 3.77Å; Y559-F571 HydrophobicContact CE1-CE2 4.28Å; Y559-F571 HydrophobicContact CG-CD2 4.1Å; Y559-F571 HydrophobicContact CG-CE2 4.13Å; R560-F571 CarbonylContact O-C 3.58Å; R560-F571 WeakPolarHBondContact O-CA 3.43Å; R560-F571 VanDerWaalsContact O-CB 3.32Å; R560-F571 WeakPolarHBondContact O-CB 3.45Å
572	T	91.9	Very high	88.7	Confident	9 Å²	9	59.7 Å²	59.7	6%	0.055	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	175.6	-179.7	-167	0	0	0	0	110.8	Y559 R560 V562	Y559-T572 CarbonylContact C-O 3.49Å; Y559-T572 WeakPolarHBondContact CA-O 3.38Å; R560-T572 HydrophobicContact CB-CG2 4.34Å; R560-T572 PolarHBondContact N-O 3.1Å; R560-T572 PolarHBondContact O-N 3.09Å; V562-T572 HydrophobicContact CG2-CG2 3.81Å
573	S	90.5	Very high	89	Confident	15 Å²	15	58.1 Å²	58.1	11%	0.105	30%	0.304	C	S	.	.			trans	-133.7	158.8	169.5	68.5	0	0	0	0	109.3	K575 L576 E577	S573-K575 PolarHBondContact O-N 2.9Å; S573-K575 VanDerWaalsContact O-N 3.11Å; S573-L576 PolarHBondContact O-N 3.39Å; S573-L576 PolarHBondContact OG-N 3.03Å; S573-E577 WeakPolarHBondContact O-CB 3.49Å; S573-E577 PolarHBondContact O-N 2.86Å
574	D	88.3	Confident	89.1	Confident	132 Å²	132	57 Å²	57	71%	0.706	30%	0.304	S	S	*	.	H	α-helix	trans	-56.1	-33.2	-179.5	-59.7	-20.9	0	0	0	112.3	G578	D574-G578 PolarHBondContact O-N 2.91Å
575	K	90.1	Very high	89.3	Confident	146 Å²	146	55.8 Å²	55.8	64%	0.635	30%	0.299	S	S	*	.	H	α-helix	trans	-72.2	-41.5	175.8	-66.8	-176.7	-179.2	176.8	0	112.6	L515 S573 Y579	L515-K575 HydrophobicContact CD1-CB 3.97Å; L515-K575 HydrophobicContact CD2-CD 4.45Å; S573-K575 PolarHBondContact O-N 2.9Å; S573-K575 VanDerWaalsContact O-N 3.11Å; K575-Y579 PolarHBondContact O-N 2.83Å; K575-Y579 VanDerWaalsContact O-N 3.13Å
576	L	90.6	Very high	89.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-67.5	-42.8	177.2	-178.5	69	0	0	0	110.5	M512 L515 L533 F543 S573 Y579 A580	M512-L576 HydrophobicContact CB-CD1 4.13Å; M512-L576 HydrophobicContact CG-CD1 3.91Å; M512-L576 HydrophobicContact SD-CD1 4.39Å; L515-L576 HydrophobicContact CD1-CB 4.37Å; L533-L576 HydrophobicContact CD1-CD1 4.3Å; F543-L576 HydrophobicContact CD1-CD2 4.12Å; F543-L576 HydrophobicContact CD2-CD2 3.74Å; F543-L576 HydrophobicContact CE1-CD1 4.21Å; F543-L576 HydrophobicContact CE1-CD2 4Å; F543-L576 HydrophobicContact CE2-CB 4.41Å; F543-L576 HydrophobicContact CE2-CD2 3.64Å; F543-L576 HydrophobicContact CE2-CG 4.41Å; F543-L576 HydrophobicContact CG-CD2 3.98Å; F543-L576 HydrophobicContact CZ-CD1 3.93Å; F543-L576 HydrophobicContact CZ-CD2 3.77Å; F543-L576 HydrophobicContact CZ-CG 4.31Å; S573-L576 PolarHBondContact O-N 3.39Å; S573-L576 PolarHBondContact OG-N 3.03Å; L576-Y579 PolarHBondContact O-N 3.14Å; L576-A580 WeakPolarHBondContact O-CB 3.45Å; L576-A580 PolarHBondContact O-N 2.63Å
577	E	89.3	Confident	90.1	Very high	63 Å²	63	49 Å²	49	29%	0.294	27%	0.265	S	S	.	.	H	α-helix	trans	-58.5	-47.1	176.2	-169.8	165.1	-152	0	0	110.4	R560 S573 Y579 A580 D581	R560-E577 IonicContact CZ-OE1 3.71Å; R560-E577 IonicContact CZ-OE2 3.3Å; R560-E577 VanDerWaalsContact CZ-OE2 3.3Å; R560-E577 IonicContact NH1-OE1 3.74Å; R560-E577 IonicContact NH1-OE2 2.91Å; R560-E577 PolarHBondContact NH1-OE2 2.82Å; R560-E577 IonicContact NH2-OE1 2.74Å; R560-E577 PolarHBondContact NH2-OE1 3.48Å; R560-E577 IonicContact NH2-OE2 2.98Å; R560-E577 PolarHBondContact NH2-OE2 2.78Å; S573-E577 WeakPolarHBondContact O-CB 3.49Å; S573-E577 PolarHBondContact O-N 2.86Å; E577-Y579 PolarHBondContact O-N 3Å; E577-A580 PolarHBondContact O-N 2.88Å; E577-D581 WeakPolarHBondContact O-CB 3.24Å; E577-D581 VanDerWaalsContact O-CG 3.32Å; E577-D581 PolarHBondContact O-N 2.88Å
578	G	90.5	Very high	90.8	Very high	38 Å²	38	50.2 Å²	50.2	39%	0.392	26%	0.263	S	S	.	.	H	α-helix	trans	-58.1	-47.1	174.8	0	0	0	0	0	114.2	D574 E582	D574-G578 PolarHBondContact O-N 2.91Å; G578-E582 WeakPolarHBondContact O-CB 3.42Å; G578-E582 PolarHBondContact O-N 2.72Å; G578-E582 VanDerWaalsContact O-N 3.13Å
579	Y	92.4	Very high	91.1	Very high	73 Å²	73	56.5 Å²	56.5	29%	0.286	29%	0.287	S	S	.	.	H	α-helix	trans	-68.4	-35	175.7	-65	-29.7	0	0	0	112.6	L508 K511 M512 L515 K575 L576 E577 E582 F583	L508-Y579 HydrophobicContact CD2-CD1 4.13Å; K511-Y579 HydrophobicContact CB-CD2 4.08Å; K511-Y579 HydrophobicContact CB-CE2 3.87Å; K511-Y579 HydrophobicContact CD-CE1 4.29Å; M512-Y579 WeakPolarHBondContact CE-O 3.3Å; L515-Y579 HydrophobicContact CD1-CD2 3.61Å; L515-Y579 HydrophobicContact CD1-CE2 3.69Å; L515-Y579 HydrophobicContact CG-CE2 4.28Å; K575-Y579 PolarHBondContact O-N 2.83Å; K575-Y579 VanDerWaalsContact O-N 3.13Å; L576-Y579 PolarHBondContact O-N 3.14Å; E577-Y579 PolarHBondContact O-N 3Å; Y579-E582 PolarHBondContact O-N 2.85Å; Y579-F583 VanDerWaalsContact O-CB 3.25Å; Y579-F583 WeakPolarHBondContact O-CB 3.38Å; Y579-F583 PolarHBondContact O-N 3.28Å
580	A	90.3	Very high	91.3	Very high	9 Å²	9	57.6 Å²	57.6	7%	0.074	29%	0.292	C	S	.	.	H	α-helix	trans	-68.5	-40.4	-179.5	0	0	0	0	0	111.4	M512 H541 L576 E577 F583 A584	M512-A580 HydrophobicContact CE-CB 4.34Å; H541-A580 HydrophobicContact CB-CB 4.07Å; L576-A580 WeakPolarHBondContact O-CB 3.45Å; L576-A580 PolarHBondContact O-N 2.63Å; E577-A580 PolarHBondContact O-N 2.88Å; A580-F583 PolarHBondContact O-N 3.38Å; A580-A584 VanDerWaalsContact O-CB 3.3Å; A580-A584 WeakPolarHBondContact O-CB 3.39Å; A580-A584 PolarHBondContact O-N 2.86Å
581	D	90.8	Very high	91.3	Very high	105 Å²	105	59.6 Å²	59.6	56%	0.561	30%	0.302	S	S	*	.	H	α-helix	trans	-66.2	-42.7	174.7	-72	-15.8	0	0	0	111.3	E577 A584 S585	E577-D581 WeakPolarHBondContact O-CB 3.24Å; E577-D581 VanDerWaalsContact O-CG 3.32Å; E577-D581 PolarHBondContact O-N 2.88Å; D581-A584 PolarHBondContact O-N 2.79Å; D581-S585 WeakPolarHBondContact O-CB 3.14Å; D581-S585 PolarHBondContact O-N 2.78Å
582	E	92.4	Very high	91.4	Very high	102 Å²	102	65.3 Å²	65.3	48%	0.477	33%	0.329	S	S	.	.	H	α-helix	trans	-63.9	-44.5	175.2	-166.5	177.7	-176.6	0	0	111.4	L508 G578 Y579 A584 S585 C586	L508-E582 HydrophobicContact CD1-CB 4.21Å; L508-E582 HydrophobicContact CD1-CG 3.88Å; L508-E582 HydrophobicContact CD2-CB 4.43Å; L508-E582 HydrophobicContact CD2-CG 4.34Å; L508-E582 WeakPolarHBondContact CD2-OE2 3.14Å; G578-E582 WeakPolarHBondContact O-CB 3.42Å; G578-E582 PolarHBondContact O-N 2.72Å; G578-E582 VanDerWaalsContact O-N 3.13Å; Y579-E582 PolarHBondContact O-N 2.85Å; E582-A584 PolarHBondContact O-N 2.87Å; E582-S585 PolarHBondContact O-N 3.47Å; E582-C586 WeakPolarHBondContact O-CB 3.34Å; E582-C586 PolarHBondContact O-N 2.94Å; E582-C586 PolarHBondContact O-SG 3.33Å
583	F	92.4	Very high	91.5	Very high	25 Å²	25	66.6 Å²	66.6	11%	0.11	34%	0.335	C	S	.	.	H	α-helix	trans	-61.6	-43.3	175.4	-177.5	-85.4	0	0	0	111.6	M505 L508 Y509 M512 H541 Y579 A580 S585 C586 R587	M505-F583 HydrophobicContact CB-CD2 4.15Å; M505-F583 HydrophobicContact CB-CE2 3.71Å; M505-F583 HydrophobicContact CB-CZ 4.46Å; M505-F583 HydrophobicContact CG-CD2 4.25Å; M505-F583 HydrophobicContact CG-CE2 4.06Å; M505-F583 WeakPolarHBondContact O-CE2 3.37Å; L508-F583 HydrophobicContact CB-CB 4.48Å; L508-F583 HydrophobicContact CB-CD2 4.12Å; L508-F583 HydrophobicContact CD1-CB 4.28Å; Y509-F583 HydrophobicContact CD2-CE2 4.36Å; M512-F583 HydrophobicContact CE-CB 3.57Å; M512-F583 HydrophobicContact CE-CD2 4.41Å; M512-F583 HydrophobicContact CE-CG 4.09Å; H541-F583 AromaticContact CD2-CD1 3.81Å; H541-F583 AromaticContact NE2-CD1 3.63Å; H541-F583 AromaticContact NE2-CE1 3.4Å; H541-F583 WeakPolarHBondContact NE2-CE1 3.36Å; Y579-F583 VanDerWaalsContact O-CB 3.25Å; Y579-F583 WeakPolarHBondContact O-CB 3.38Å; Y579-F583 PolarHBondContact O-N 3.28Å; A580-F583 PolarHBondContact O-N 3.38Å; F583-S585 VanDerWaalsContact C-N 3.34Å; F583-S585 PolarHBondContact O-N 2.91Å; F583-C586 PolarHBondContact O-N 2.64Å; F583-R587 VanDerWaalsContact O-CB 3.28Å; F583-R587 WeakPolarHBondContact O-CB 3.42Å; F583-R587 PolarHBondContact O-N 2.93Å
584	A	90.1	Very high	91.7	Very high	46 Å²	46	67 Å²	67	38%	0.38	34%	0.335	S	S	.	.	H	α-helix	trans	-61.5	-42.7	175.7	0	0	0	0	0	111.3	A580 D581 E582 R587 T588	A580-A584 VanDerWaalsContact O-CB 3.3Å; A580-A584 WeakPolarHBondContact O-CB 3.39Å; A580-A584 PolarHBondContact O-N 2.86Å; D581-A584 PolarHBondContact O-N 2.79Å; E582-A584 PolarHBondContact O-N 2.87Å; A584-R587 PolarHBondContact O-N 2.83Å; A584-T588 PolarHBondContact O-N 3.19Å; A584-T588 PolarHBondContact O-OG1 2.93Å; A584-T588 VanDerWaalsContact O-OG1 3.13Å
585	S	91.8	Very high	91.8	Very high	53 Å²	53	65.9 Å²	65.9	37%	0.371	33%	0.328	S	S	.	.	H	α-helix	trans	-63.8	-45	175.8	-169.3	0	0	0	0	112.5	D581 E582 F583 R587 T588 R589	D581-S585 WeakPolarHBondContact O-CB 3.14Å; D581-S585 PolarHBondContact O-N 2.78Å; E582-S585 PolarHBondContact O-N 3.47Å; F583-S585 VanDerWaalsContact C-N 3.34Å; F583-S585 PolarHBondContact O-N 2.91Å; S585-R587 VanDerWaalsContact C-N 3.32Å; S585-R587 PolarHBondContact O-N 3.37Å; S585-T588 PolarHBondContact O-N 3.06Å; S585-R589 WeakPolarHBondContact O-CG 3.44Å; S585-R589 PolarHBondContact O-N 2.95Å
586	C	92.2	Very high	92	Very high	7 Å²	7	61.3 Å²	61.3	5%	0.047	32%	0.315	C	S	.	.	H	α-helix	trans	-60	-42.4	174	-74.7	0	0	0	0	111.7	M505 E582 F583 R589 Y590	M505-C586 HydrophobicContact CG-CB 3.82Å; E582-C586 WeakPolarHBondContact O-CB 3.34Å; E582-C586 PolarHBondContact O-N 2.94Å; E582-C586 PolarHBondContact O-SG 3.33Å; F583-C586 PolarHBondContact O-N 2.64Å; C586-R589 PolarHBondContact O-N 3.33Å; C586-Y590 WeakPolarHBondContact O-CB 3.45Å; C586-Y590 PolarHBondContact O-N 3.31Å
587	R	91.5	Very high	92.1	Very high	122 Å²	122	61.7 Å²	61.7	46%	0.46	32%	0.317	S	S	.	.	H	α-helix	trans	-63.2	-46.2	177.5	179.9	178.5	174	163.7	5.1	112	M505 F583 A584 S585 R589 Y590 E591	M505-R587 HydrophobicContact SD-CB 4.05Å; F583-R587 VanDerWaalsContact O-CB 3.28Å; F583-R587 WeakPolarHBondContact O-CB 3.42Å; F583-R587 PolarHBondContact O-N 2.93Å; A584-R587 PolarHBondContact O-N 2.83Å; S585-R587 VanDerWaalsContact C-N 3.32Å; S585-R587 PolarHBondContact O-N 3.37Å; R587-R589 VanDerWaalsContact C-N 3.32Å; R587-R589 PolarHBondContact O-N 3.06Å; R587-Y590 WeakPolarHBondContact O-CB 3.45Å; R587-Y590 PolarHBondContact O-N 3.43Å; R587-Y590 VanDerWaalsContact O-N 3.17Å; R587-E591 HydrophobicContact CG-CG 4.47Å; R587-E591 WeakPolarHBondContact CG-OE1 3.4Å; R587-E591 IonicContact CZ-OE1 2.88Å; R587-E591 IonicContact NE-OE1 3.98Å; R587-E591 PolarHBondContact NE-OE1 2.9Å; R587-E591 IonicContact NH2-OE1 2.7Å; R587-E591 PolarHBondContact NH2-OE1 3.25Å; R587-E591 WeakPolarHBondContact O-CG 3.32Å; R587-E591 PolarHBondContact O-N 3.11Å
588	T	92.2	Very high	92.3	Very high	71 Å²	71	59.8 Å²	59.8	44%	0.436	31%	0.309	S	S	.	.	H	α-helix	trans	-59.1	-45	175.6	-60	0	0	0	0	111.1	A584 S585 Y590 E591 E592	A584-T588 PolarHBondContact O-N 3.19Å; A584-T588 PolarHBondContact O-OG1 2.93Å; A584-T588 VanDerWaalsContact O-OG1 3.13Å; S585-T588 PolarHBondContact O-N 3.06Å; T588-Y590 VanDerWaalsContact C-N 3.32Å; T588-Y590 PolarHBondContact O-N 3.4Å; T588-E591 PolarHBondContact O-N 3.45Å; T588-E592 HydrophobicContact CG2-CG 4.49Å; T588-E592 WeakPolarHBondContact O-CG 3.21Å; T588-E592 PolarHBondContact O-N 3.11Å
589	R	93.8	Very high	92.4	Very high	133 Å²	133	64.8 Å²	64.8	50%	0.502	32%	0.322	S	S	.	.	H	α-helix	trans	-63.3	-36.5	175.8	-69.7	175	-176.1	176	4.6	112.9	L501 S585 C586 R587 Q593	L501-R589 HydrophobicContact CD1-CB 4.27Å; L501-R589 HydrophobicContact CD2-CB 4Å; S585-R589 WeakPolarHBondContact O-CG 3.44Å; S585-R589 PolarHBondContact O-N 2.95Å; C586-R589 PolarHBondContact O-N 3.33Å; R587-R589 VanDerWaalsContact C-N 3.32Å; R587-R589 PolarHBondContact O-N 3.06Å; R589-Q593 VanDerWaalsContact O-CB 3.32Å; R589-Q593 WeakPolarHBondContact O-CB 3.49Å; R589-Q593 PolarHBondContact O-N 2.68Å
590	Y	93.3	Very high	92.4	Very high	23 Å²	23	67.3 Å²	67.3	9%	0.09	34%	0.337	C	S	.	.	H	α-helix	trans	-65	-45.2	174.9	-176.1	-85.4	0	0	0	111	L498 L501 Q502 M505 C586 R587 T588 Q594	L498-Y590 HydrophobicContact CB-CE2 4.05Å; L498-Y590 HydrophobicContact CD2-CD2 3.78Å; L498-Y590 HydrophobicContact CD2-CE2 3.74Å; L498-Y590 HydrophobicContact CD2-CG 4.21Å; L498-Y590 HydrophobicContact CG-CE2 4.43Å; L501-Y590 HydrophobicContact CB-CD2 3.85Å; Q502-Y590 HydrophobicContact CB-CE2 4.15Å; M505-Y590 HydrophobicContact CE-CD1 4.29Å; M505-Y590 HydrophobicContact CE-CD2 3.57Å; M505-Y590 HydrophobicContact CE-CE2 4.13Å; M505-Y590 HydrophobicContact CE-CG 3.67Å; C586-Y590 WeakPolarHBondContact O-CB 3.45Å; C586-Y590 PolarHBondContact O-N 3.31Å; R587-Y590 WeakPolarHBondContact O-CB 3.45Å; R587-Y590 PolarHBondContact O-N 3.43Å; R587-Y590 VanDerWaalsContact O-N 3.17Å; T588-Y590 VanDerWaalsContact C-N 3.32Å; T588-Y590 PolarHBondContact O-N 3.4Å; Y590-Q594 WeakPolarHBondContact O-CB 3.46Å; Y590-Q594 PolarHBondContact O-N 2.8Å
591	E	91.9	Very high	92.5	Very high	79 Å²	79	67.4 Å²	67.4	37%	0.369	34%	0.336	S	S	.	.	H	α-helix	trans	-63.4	-44.1	177	-71.4	171.8	-177.1	0	0	111.4	R587 T588 Q594 L595	R587-E591 HydrophobicContact CG-CG 4.47Å; R587-E591 WeakPolarHBondContact CG-OE1 3.4Å; R587-E591 IonicContact CZ-OE1 2.88Å; R587-E591 IonicContact NE-OE1 3.98Å; R587-E591 PolarHBondContact NE-OE1 2.9Å; R587-E591 IonicContact NH2-OE1 2.7Å; R587-E591 PolarHBondContact NH2-OE1 3.25Å; R587-E591 WeakPolarHBondContact O-CG 3.32Å; R587-E591 PolarHBondContact O-N 3.11Å; T588-E591 PolarHBondContact O-N 3.45Å; E591-Q594 PolarHBondContact O-N 3.36Å; E591-L595 VanDerWaalsContact O-CG 3.3Å; E591-L595 WeakPolarHBondContact O-CG 3.34Å; E591-L595 PolarHBondContact O-N 3.28Å
592	E	93.4	Very high	92.6	Very high	121 Å²	121	62.8 Å²	62.8	57%	0.565	31%	0.311	S	S	*	.	H	α-helix	trans	-61.8	-48	175.5	-73.8	172.7	174.5	0	0	112.7	T588 Q594 L595 S596	T588-E592 HydrophobicContact CG2-CG 4.49Å; T588-E592 WeakPolarHBondContact O-CG 3.21Å; T588-E592 PolarHBondContact O-N 3.11Å; E592-Q594 VanDerWaalsContact C-N 3.31Å; E592-Q594 PolarHBondContact O-N 3.18Å; E592-L595 PolarHBondContact O-N 2.96Å; E592-S596 PolarHBondContact O-N 3.47Å
593	Q	93.9	Very high	92.5	Very high	36 Å²	36	63 Å²	63	17%	0.168	31%	0.312	C	S	.	.	H	α-helix	trans	-63.3	-40.4	178.1	-178.7	66.1	16.5	0	0	111.2	D495 R497 L498 R589 S596 I597	D495-Q593 PolarHBondContact OD2-NE2 2.98Å; R497-Q593 HydrophobicContact CG-CG 4.48Å; L498-Q593 HydrophobicContact CD2-CB 3.86Å; L498-Q593 HydrophobicContact CD2-CG 3.7Å; L498-Q593 HydrophobicContact CG-CG 4Å; R589-Q593 VanDerWaalsContact O-CB 3.32Å; R589-Q593 WeakPolarHBondContact O-CB 3.49Å; R589-Q593 PolarHBondContact O-N 2.68Å; Q593-S596 WeakPolarHBondContact O-CB 3.36Å; Q593-S596 PolarHBondContact O-N 3.32Å; Q593-I597 HydrophobicContact CG-CD1 4.24Å; Q593-I597 WeakPolarHBondContact O-CG1 3.37Å; Q593-I597 PolarHBondContact O-N 2.68Å; Q593-I597 VanDerWaalsContact O-N 3.12Å
594	Q	93.9	Very high	92.5	Very high	22 Å²	22	65.3 Å²	65.3	10%	0.103	33%	0.328	C	S	.	.	H	α-helix	trans	-63.8	-42.9	176	175.6	168.5	-146	0	0	111.7	L489 V490 L498 Y590 E591 E592 S596 I597 V598	L489-Q594 VanDerWaalsContact CA-OE1 3.23Å; V490-Q594 HydrophobicContact CB-CG 4.18Å; V490-Q594 HydrophobicContact CG2-CG 3.93Å; L498-Q594 HydrophobicContact CD2-CB 4.24Å; Y590-Q594 WeakPolarHBondContact O-CB 3.46Å; Y590-Q594 PolarHBondContact O-N 2.8Å; E591-Q594 PolarHBondContact O-N 3.36Å; E592-Q594 VanDerWaalsContact C-N 3.31Å; E592-Q594 PolarHBondContact O-N 3.18Å; Q594-S596 VanDerWaalsContact C-N 3.33Å; Q594-S596 PolarHBondContact O-N 3.49Å; Q594-I597 PolarHBondContact O-N 3.08Å; Q594-V598 VanDerWaalsContact O-CG2 3.31Å; Q594-V598 WeakPolarHBondContact O-CG2 3.34Å; Q594-V598 PolarHBondContact O-N 3.39Å
595	L	91.9	Very high	92.7	Very high	109 Å²	109	63.1 Å²	63.1	57%	0.571	31%	0.31	S	S	*	.	H	α-helix	trans	-59.9	-44	175.2	-75.2	170.5	0	0	0	111.5	E591 E592 I597 V598 E599	E591-L595 VanDerWaalsContact O-CG 3.3Å; E591-L595 WeakPolarHBondContact O-CG 3.34Å; E591-L595 PolarHBondContact O-N 3.28Å; E592-L595 PolarHBondContact O-N 2.96Å; L595-I597 VanDerWaalsContact C-N 3.33Å; L595-I597 PolarHBondContact O-N 3.46Å; L595-V598 PolarHBondContact O-N 3.27Å; L595-E599 WeakPolarHBondContact O-CG 3.19Å; L595-E599 PolarHBondContact O-N 3.45Å
596	S	93.6	Very high	92.6	Very high	50 Å²	50	61.9 Å²	61.9	35%	0.35	30%	0.3	S	S	.	.	H	α-helix	trans	-56.8	-45.5	176	-171.1	0	0	0	0	112.2	E592 Q593 Q594 E599 E600	E592-S596 PolarHBondContact O-N 3.47Å; Q593-S596 WeakPolarHBondContact O-CB 3.36Å; Q593-S596 PolarHBondContact O-N 3.32Å; Q594-S596 VanDerWaalsContact C-N 3.33Å; Q594-S596 PolarHBondContact O-N 3.49Å; S596-E599 PolarHBondContact O-N 3.19Å; S596-E600 WeakPolarHBondContact O-CG 3.47Å; S596-E600 PolarHBondContact O-N 3.49Å; S596-E600 VanDerWaalsContact O-N 3.13Å
597	I	93.1	Very high	92.3	Very high	9 Å²	9	64.6 Å²	64.6	5%	0.046	33%	0.33	C	S	.	.	H	α-helix	trans	-66.4	-41	178.9	-66.6	160.8	0	0	0	110.8	V490 F494 D495 L498 Q593 Q594 L595 E599 E600 I601	V490-I597 HydrophobicContact CG1-CG2 4.1Å; V490-I597 HydrophobicContact CG2-CG2 4.23Å; F494-I597 HydrophobicContact CD1-CG2 4.17Å; F494-I597 HydrophobicContact CE1-CG2 3.92Å; D495-I597 HydrophobicContact CB-CD1 3.66Å; L498-I597 HydrophobicContact CD1-CD1 3.51Å; L498-I597 HydrophobicContact CG-CD1 3.91Å; Q593-I597 HydrophobicContact CG-CD1 4.24Å; Q593-I597 WeakPolarHBondContact O-CG1 3.37Å; Q593-I597 PolarHBondContact O-N 2.68Å; Q593-I597 VanDerWaalsContact O-N 3.12Å; Q594-I597 PolarHBondContact O-N 3.08Å; L595-I597 VanDerWaalsContact C-N 3.33Å; L595-I597 PolarHBondContact O-N 3.46Å; I597-E599 VanDerWaalsContact C-N 3.35Å; I597-E599 PolarHBondContact O-N 3.28Å; I597-E600 PolarHBondContact O-N 3.3Å; I597-I601 HydrophobicContact CG2-CD1 3.64Å; I597-I601 HydrophobicContact CG2-CG1 4.41Å; I597-I601 WeakPolarHBondContact O-CD1 3.5Å; I597-I601 VanDerWaalsContact O-CG1 3.24Å; I597-I601 WeakPolarHBondContact O-CG1 3.45Å; I597-I601 PolarHBondContact O-N 3.44Å
598	V	93.4	Very high	92.3	Very high	23 Å²	23	61.4 Å²	61.4	14%	0.139	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-44.7	176.5	171.7	0	0	0	0	110.6	L424 V490 Q594 L595 E600 I601 I602	L424-V598 HydrophobicContact CD1-CG2 4.49Å; V490-V598 HydrophobicContact CG2-CG2 3.77Å; Q594-V598 VanDerWaalsContact O-CG2 3.31Å; Q594-V598 WeakPolarHBondContact O-CG2 3.34Å; Q594-V598 PolarHBondContact O-N 3.39Å; L595-V598 PolarHBondContact O-N 3.27Å; V598-E600 PolarHBondContact O-N 3.06Å; V598-I601 PolarHBondContact O-N 3.3Å; V598-I602 HydrophobicContact CG1-CG1 4.23Å; V598-I602 WeakPolarHBondContact O-CB 3.49Å; V598-I602 VanDerWaalsContact O-CG1 3.27Å; V598-I602 WeakPolarHBondContact O-CG1 3.44Å; V598-I602 PolarHBondContact O-N 2.93Å
599	E	91.9	Very high	92.1	Very high	142 Å²	142	58.3 Å²	58.3	66%	0.664	30%	0.299	S	S	*	.	H	α-helix	trans	-59.3	-43.4	177.1	-73.9	-179.6	179	0	0	112.5	L595 S596 I597 I601 I602 H603	L595-E599 WeakPolarHBondContact O-CG 3.19Å; L595-E599 PolarHBondContact O-N 3.45Å; S596-E599 PolarHBondContact O-N 3.19Å; I597-E599 VanDerWaalsContact C-N 3.35Å; I597-E599 PolarHBondContact O-N 3.28Å; E599-I601 PolarHBondContact O-N 3.41Å; E599-I602 PolarHBondContact O-N 3.4Å; E599-H603 WeakPolarHBondContact O-CB 3.32Å; E599-H603 PolarHBondContact O-N 3.01Å
600	E	92.2	Very high	91.6	Very high	126 Å²	126	53.4 Å²	53.4	59%	0.589	29%	0.287	S	S	*	.	H	α-helix	trans	-62.4	-42.2	176.1	-73.2	-179.6	-175	0	0	112.2	S596 I597 V598 H603 V604	S596-E600 WeakPolarHBondContact O-CG 3.47Å; S596-E600 PolarHBondContact O-N 3.49Å; S596-E600 VanDerWaalsContact O-N 3.13Å; I597-E600 PolarHBondContact O-N 3.3Å; V598-E600 PolarHBondContact O-N 3.06Å; E600-H603 WeakPolarHBondContact O-CB 3.31Å; E600-H603 PolarHBondContact O-N 3.11Å; E600-V604 WeakPolarHBondContact O-CG2 3.38Å; E600-V604 PolarHBondContact O-N 3.32Å
601	I	93.5	Very high	91.4	Very high	12 Å²	12	53.1 Å²	53.1	6%	0.062	29%	0.288	C	S	.	.	H	α-helix	trans	-69.3	-41.3	-179.7	-69.4	167.4	0	0	0	111.2	L427 M473 V477 I597 V598 E599 H603 V604 A605	L427-I601 HydrophobicContact CD2-CG2 3.5Å; M473-I601 HydrophobicContact CE-CG2 3.81Å; M473-I601 HydrophobicContact CG-CG2 4.43Å; M473-I601 HydrophobicContact SD-CG2 3.99Å; V477-I601 HydrophobicContact CB-CD1 3.78Å; V477-I601 HydrophobicContact CG1-CD1 3.08Å; V477-I601 HydrophobicContact CG2-CD1 3.47Å; V477-I601 VanDerWaalsContact CG2-CD1 3.47Å; V477-I601 HydrophobicContact CG2-CG1 4.32Å; I597-I601 HydrophobicContact CG2-CD1 3.64Å; I597-I601 HydrophobicContact CG2-CG1 4.41Å; I597-I601 WeakPolarHBondContact O-CD1 3.5Å; I597-I601 VanDerWaalsContact O-CG1 3.24Å; I597-I601 WeakPolarHBondContact O-CG1 3.45Å; I597-I601 PolarHBondContact O-N 3.44Å; V598-I601 PolarHBondContact O-N 3.3Å; E599-I601 PolarHBondContact O-N 3.41Å; I601-H603 VanDerWaalsContact C-N 3.26Å; I601-H603 PolarHBondContact O-N 3.25Å; I601-V604 PolarHBondContact O-N 3.1Å; I601-A605 VanDerWaalsContact O-CB 3.31Å; I601-A605 WeakPolarHBondContact O-CB 3.32Å; I601-A605 PolarHBondContact O-N 3.45Å
602	I	92.9	Very high	91.5	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.041	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-41.4	173.3	-67.6	-58.6	0	0	0	109.7	L417 A422 L427 V598 E599 V604 A605 V606	L417-I602 HydrophobicContact CD1-CD1 3.99Å; L417-I602 HydrophobicContact CD1-CG2 3.95Å; A422-I602 HydrophobicContact CB-CD1 4.02Å; L427-I602 HydrophobicContact CB-CD1 4.4Å; V598-I602 HydrophobicContact CG1-CG1 4.23Å; V598-I602 WeakPolarHBondContact O-CB 3.49Å; V598-I602 VanDerWaalsContact O-CG1 3.27Å; V598-I602 WeakPolarHBondContact O-CG1 3.44Å; V598-I602 PolarHBondContact O-N 2.93Å; E599-I602 PolarHBondContact O-N 3.4Å; I602-V604 PolarHBondContact O-N 2.97Å; I602-A605 PolarHBondContact O-N 3.32Å; I602-V606 WeakPolarHBondContact O-CG2 3.22Å; I602-V606 PolarHBondContact O-N 3.48Å
603	H	89.8	Confident	91.2	Very high	106 Å²	106	45 Å²	45	49%	0.491	25%	0.253	S	S	.	.	H	α-helix	trans	-58.5	-44.9	174.6	-178.7	-78.5	0	0	0	112.6	R420 E599 E600 I601	R420-H603 PolarHBondContact NH2-CD2 2.93Å; E599-H603 WeakPolarHBondContact O-CB 3.32Å; E599-H603 PolarHBondContact O-N 3.01Å; E600-H603 WeakPolarHBondContact O-CB 3.31Å; E600-H603 PolarHBondContact O-N 3.11Å; I601-H603 VanDerWaalsContact C-N 3.26Å; I601-H603 PolarHBondContact O-N 3.25Å
604	V	92.3	Very high	91	Very high	74 Å²	74	46.5 Å²	46.5	45%	0.448	26%	0.261	S	S	.	.	H	α-helix	trans	-65.7	-41	175.4	176.2	0	0	0	0	111.3	M473 E600 I601 I602 V606 G607 Y608	M473-V604 HydrophobicContact CE-CG1 4.4Å; M473-V604 HydrophobicContact SD-CB 3.96Å; M473-V604 HydrophobicContact SD-CG1 3.65Å; E600-V604 WeakPolarHBondContact O-CG2 3.38Å; E600-V604 PolarHBondContact O-N 3.32Å; I601-V604 PolarHBondContact O-N 3.1Å; I602-V604 PolarHBondContact O-N 2.97Å; V604-V606 VanDerWaalsContact C-N 3.29Å; V604-V606 PolarHBondContact O-N 3.11Å; V604-G607 PolarHBondContact O-N 2.75Å; V604-G607 VanDerWaalsContact O-N 3.16Å; V604-Y608 HydrophobicContact CG1-CE2 4.49Å
605	A	93.7	Very high	91	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-31.9	-178.9	0	0	0	0	0	112.7	L417 L427 L470 M473 I601 I602 G607 Y608	L417-A605 HydrophobicContact CD1-CB 3.55Å; L417-A605 HydrophobicContact CD2-CB 4.01Å; L417-A605 WeakPolarHBondContact CD2-O 3.41Å; L417-A605 HydrophobicContact CG-CB 4.29Å; L427-A605 HydrophobicContact CD1-CB 3.93Å; L470-A605 HydrophobicContact CD1-CB 4.04Å; M473-A605 HydrophobicContact CE-CB 4.06Å; I601-A605 VanDerWaalsContact O-CB 3.31Å; I601-A605 WeakPolarHBondContact O-CB 3.32Å; I601-A605 PolarHBondContact O-N 3.45Å; I602-A605 PolarHBondContact O-N 3.32Å; A605-G607 PolarHBondContact O-N 2.94Å; A605-G607 VanDerWaalsContact O-N 3.15Å; A605-Y608 WeakPolarHBondContact O-CB 3.31Å; A605-Y608 PolarHBondContact O-N 3.03Å
606	V	89.4	Confident	91	Very high	26 Å²	26	40.5 Å²	40.5	16%	0.158	23%	0.23	C	C	.	.	H	α-helix	trans	-53.4	-34	174.6	171.3	0	0	0	0	112.2	L417 I602 V604 Y608 A609	L417-V606 HydrophobicContact CG-CG2 4.08Å; L417-V606 WeakPolarHBondContact O-CG2 3.21Å; I602-V606 WeakPolarHBondContact O-CG2 3.22Å; I602-V606 PolarHBondContact O-N 3.48Å; V604-V606 VanDerWaalsContact C-N 3.29Å; V604-V606 PolarHBondContact O-N 3.11Å; V606-Y608 PolarHBondContact O-N 3.37Å; V606-A609 VanDerWaalsContact O-CB 3.31Å; V606-A609 WeakPolarHBondContact O-CB 3.28Å; V606-A609 PolarHBondContact O-N 2.68Å
607	G	87.6	Confident	90.9	Very high	65 Å²	65	40.4 Å²	40.4	67%	0.67	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.9	176.3	0	0	0	0	0	114.4	V604 A605	V604-G607 PolarHBondContact O-N 2.75Å; V604-G607 VanDerWaalsContact O-N 3.16Å; A605-G607 PolarHBondContact O-N 2.94Å; A605-G607 VanDerWaalsContact O-N 3.15Å
608	Y	91.4	Very high	91	Very high	55 Å²	55	41.5 Å²	41.5	22%	0.216	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	7.1	178	-61.1	-87.9	0	0	0	113.5	D466 L467 G469 L470 V604 A605 V606 A610 P611 L612	D466-Y608 VanDerWaalsContact O-CE1 3.3Å; D466-Y608 WeakPolarHBondContact O-CE1 3.23Å; L467-Y608 HydrophobicContact CD2-CD1 4.18Å; G469-Y608 WeakPolarHBondContact CA-OH 2.94Å; L470-Y608 HydrophobicContact CB-CD1 4.03Å; L470-Y608 HydrophobicContact CB-CD2 3.99Å; L470-Y608 HydrophobicContact CB-CE1 4.11Å; L470-Y608 HydrophobicContact CB-CE2 4.07Å; L470-Y608 HydrophobicContact CB-CG 3.96Å; L470-Y608 HydrophobicContact CD1-CD2 4.31Å; L470-Y608 HydrophobicContact CD2-CG 4.23Å; V604-Y608 HydrophobicContact CG1-CE2 4.49Å; A605-Y608 WeakPolarHBondContact O-CB 3.31Å; A605-Y608 PolarHBondContact O-N 3.03Å; V606-Y608 PolarHBondContact O-N 3.37Å; Y608-A610 VanDerWaalsContact C-N 3.3Å; Y608-A610 PolarHBondContact O-N 3.39Å; Y608-P611 HydrophobicContact CD1-CG 4.44Å; Y608-P611 WeakPolarHBondContact O-CD 3.29Å; Y608-P611 VanDerWaalsContact O-CG 3.25Å; Y608-P611 WeakPolarHBondContact O-CG 3.35Å; Y608-L612 WeakPolarHBondContact O-CB 3.16Å; Y608-L612 WeakPolarHBondContact O-CG 3.06Å; Y608-L612 PolarHBondContact O-N 2.97Å; Y608-L612 VanDerWaalsContact O-N 3.1Å
609	A	86.7	Confident	91.1	Very high	5 Å²	5	40.4 Å²	40.4	4%	0.041	22%	0.224	C	C	.	.	H	α-helix	trans	-57.3	-41.7	179.8	0	0	0	0	0	112.6	T414 M418 V606 L612 T613	T414-A609 HydrophobicContact CG2-CB 3.83Å; M418-A609 HydrophobicContact CG-CB 3.83Å; M418-A609 HydrophobicContact SD-CB 4.1Å; V606-A609 VanDerWaalsContact O-CB 3.31Å; V606-A609 WeakPolarHBondContact O-CB 3.28Å; V606-A609 PolarHBondContact O-N 2.68Å; A609-L612 PolarHBondContact O-N 3.11Å; A609-T613 PolarHBondContact O-N 3.4Å; A609-T613 PolarHBondContact O-OG1 2.93Å; A609-T613 VanDerWaalsContact O-OG1 3.09Å
610	A	83.9	Confident	91.3	Very high	31 Å²	31	33.8 Å²	33.8	26%	0.256	19%	0.194	S	C	.	.	H	α-helix	trans	-59.5	-56.3	179	0	0	0	0	0	113.7	Y608 L612 T613 L614	Y608-A610 VanDerWaalsContact C-N 3.3Å; Y608-A610 PolarHBondContact O-N 3.39Å; A610-L612 VanDerWaalsContact C-N 3.27Å; A610-L612 PolarHBondContact O-N 3.13Å; A610-T613 PolarHBondContact O-N 3.26Å; A610-L614 WeakPolarHBondContact O-CG 3.47Å; A610-L614 PolarHBondContact O-N 3.23Å; A610-L614 VanDerWaalsContact O-N 3.12Å
611	P	89.8	Confident	91.5	Very high	16 Å²	16	30 Å²	30	10%	0.104	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-29.5	176.8	22.9	-32.9	0	0	0	113.1	D466 L467 Y608 L614 L615	D466-P611 HydrophobicContact CB-CB 4.06Å; D466-P611 HydrophobicContact CB-CG 4.45Å; L467-P611 HydrophobicContact CD2-CB 3.99Å; L467-P611 HydrophobicContact CD2-CG 3.88Å; L467-P611 HydrophobicContact CG-CB 4.14Å; L467-P611 HydrophobicContact CG-CG 4.49Å; Y608-P611 HydrophobicContact CD1-CG 4.44Å; Y608-P611 WeakPolarHBondContact O-CD 3.29Å; Y608-P611 VanDerWaalsContact O-CG 3.25Å; Y608-P611 WeakPolarHBondContact O-CG 3.35Å; P611-L614 PolarHBondContact O-N 3.23Å; P611-L615 WeakPolarHBondContact O-CB 3.23Å; P611-L615 PolarHBondContact O-N 3.27Å
612	L	92.6	Very high	91.7	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-65.2	-41.4	173	-71.2	172.2	0	0	0	112.4	T414 L417 I430 L467 L470 Y608 A609 A610 L614 L615 N616	T414-L612 HydrophobicContact CG2-CB 4.29Å; T414-L612 WeakPolarHBondContact OG1-CB 3.32Å; L417-L612 HydrophobicContact CD2-CD1 4.17Å; I430-L612 HydrophobicContact CD1-CD1 4.26Å; I430-L612 HydrophobicContact CG2-CD1 4.12Å; I430-L612 HydrophobicContact CG2-CD2 3.56Å; L467-L612 HydrophobicContact CD1-CD2 4.21Å; L467-L612 HydrophobicContact CD2-CD2 3.84Å; L467-L612 HydrophobicContact CD2-CG 3.96Å; L470-L612 HydrophobicContact CD2-CD1 4.35Å; L470-L612 HydrophobicContact CD2-CD2 4.45Å; Y608-L612 WeakPolarHBondContact O-CB 3.16Å; Y608-L612 WeakPolarHBondContact O-CG 3.06Å; Y608-L612 PolarHBondContact O-N 2.97Å; Y608-L612 VanDerWaalsContact O-N 3.1Å; A609-L612 PolarHBondContact O-N 3.11Å; A610-L612 VanDerWaalsContact C-N 3.27Å; A610-L612 PolarHBondContact O-N 3.13Å; L612-L614 VanDerWaalsContact C-N 3.34Å; L612-L615 PolarHBondContact O-N 2.94Å; L612-N616 WeakPolarHBondContact O-CB 3.44Å; L612-N616 PolarHBondContact O-N 3.12Å
613	T	87.6	Confident	92	Very high	29 Å²	29	29.2 Å²	29.2	18%	0.178	17%	0.172	C	C	.	.	H	α-helix	trans	-64.8	-38.1	174.8	-60.2	0	0	0	0	111.8	A609 A610 N616 N617	A609-T613 PolarHBondContact O-N 3.4Å; A609-T613 PolarHBondContact O-OG1 2.93Å; A609-T613 VanDerWaalsContact O-OG1 3.09Å; A610-T613 PolarHBondContact O-N 3.26Å; T613-N616 WeakPolarHBondContact O-CB 3.48Å; T613-N616 PolarHBondContact O-N 3.01Å; T613-N617 PolarHBondContact O-N 3.45Å; T613-N617 VanDerWaalsContact O-N 3.13Å; T613-N617 PolarHBondContact O-ND2 2.95Å; T613-N617 PolarHBondContact O-OD1 2.87Å
614	L	89.1	Confident	92.4	Very high	67 Å²	67	24.2 Å²	24.2	35%	0.351	15%	0.149	S	C	.	.	H	α-helix	trans	-64.9	-46	174.5	-65.6	173.2	0	0	0	111.2	F463 A610 P611 L612 N616 N617 E618	F463-L614 HydrophobicContact CD1-CB 3.98Å; F463-L614 HydrophobicContact CD1-CD1 3.9Å; F463-L614 HydrophobicContact CD2-CB 4.08Å; F463-L614 HydrophobicContact CE1-CB 3.9Å; F463-L614 HydrophobicContact CE1-CD1 3.52Å; F463-L614 HydrophobicContact CE1-CG 4.23Å; F463-L614 HydrophobicContact CE2-CB 3.97Å; F463-L614 HydrophobicContact CG-CB 4.1Å; F463-L614 HydrophobicContact CZ-CB 3.89Å; F463-L614 HydrophobicContact CZ-CD1 4.11Å; F463-L614 HydrophobicContact CZ-CG 4.4Å; A610-L614 WeakPolarHBondContact O-CG 3.47Å; A610-L614 PolarHBondContact O-N 3.23Å; A610-L614 VanDerWaalsContact O-N 3.12Å; P611-L614 PolarHBondContact O-N 3.23Å; L612-L614 VanDerWaalsContact C-N 3.34Å; L614-N616 VanDerWaalsContact C-N 3.29Å; L614-N616 PolarHBondContact O-N 3.38Å; L614-N617 PolarHBondContact O-N 2.97Å; L614-N617 VanDerWaalsContact O-N 3.12Å; L614-E618 PolarHBondContact O-N 3.29Å; L614-E618 VanDerWaalsContact O-N 3.08Å
615	L	93.9	Very high	92.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.7	-39.8	174.6	-179.1	66.7	0	0	0	112.4	V433 T437 F460 L467 P611 L612 N617 L619	V433-L615 HydrophobicContact CG1-CD2 3.98Å; T437-L615 HydrophobicContact CG2-CD1 3.92Å; F460-L615 HydrophobicContact CD1-CD1 3.63Å; F460-L615 HydrophobicContact CE1-CD1 3.53Å; L467-L615 HydrophobicContact CD1-CD2 3.81Å; P611-L615 WeakPolarHBondContact O-CB 3.23Å; P611-L615 PolarHBondContact O-N 3.27Å; L612-L615 PolarHBondContact O-N 2.94Å; L615-N617 VanDerWaalsContact C-N 3.34Å; L615-N617 PolarHBondContact O-N 2.98Å; L615-L619 HydrophobicContact CD1-CD1 4.16Å; L615-L619 HydrophobicContact CD1-CG 4.41Å; L615-L619 HydrophobicContact CG-CD1 3.98Å; L615-L619 WeakPolarHBondContact O-CB 3.33Å; L615-L619 WeakPolarHBondContact O-CG 3.46Å; L615-L619 PolarHBondContact O-N 3.2Å
616	N	93	Very high	92.9	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-57.2	-46.8	174	171.1	84.1	0	0	0	111.7	Q360 I410 L411 L612 T613 L614 L619 A620	Q360-N616 WeakPolarHBondContact CB-OD1 3.3Å; Q360-N616 WeakPolarHBondContact CG-OD1 3.11Å; I410-N616 HydrophobicContact CB-CB 4Å; I410-N616 HydrophobicContact CG2-CB 3.94Å; L411-N616 PolarHBondContact N-OD1 3.28Å; L612-N616 WeakPolarHBondContact O-CB 3.44Å; L612-N616 PolarHBondContact O-N 3.12Å; T613-N616 WeakPolarHBondContact O-CB 3.48Å; T613-N616 PolarHBondContact O-N 3.01Å; L614-N616 VanDerWaalsContact C-N 3.29Å; L614-N616 PolarHBondContact O-N 3.38Å; N616-L619 PolarHBondContact O-N 3.21Å; N616-A620 WeakPolarHBondContact O-CB 3.41Å; N616-A620 PolarHBondContact O-N 3.06Å
617	N	91.5	Very high	93.3	Very high	49 Å²	49	19.5 Å²	19.5	26%	0.262	12%	0.12	S	C	.	.	H	α-helix	trans	-67.2	-42.6	-176.9	-62.8	-16.5	0	0	0	111.8	T613 L614 L615 A620 Q621	T613-N617 PolarHBondContact O-N 3.45Å; T613-N617 VanDerWaalsContact O-N 3.13Å; T613-N617 PolarHBondContact O-ND2 2.95Å; T613-N617 PolarHBondContact O-OD1 2.87Å; L614-N617 PolarHBondContact O-N 2.97Å; L614-N617 VanDerWaalsContact O-N 3.12Å; L615-N617 VanDerWaalsContact C-N 3.34Å; L615-N617 PolarHBondContact O-N 2.98Å; N617-A620 PolarHBondContact O-N 3.44Å; N617-Q621 PolarHBondContact O-N 3.17Å
618	E	94.6	Very high	93.8	Very high	32 Å²	32	16.5 Å²	16.5	15%	0.15	9%	0.089	C	C	.	.	H	α-helix	trans	-66.1	-40.2	176.8	-64.3	-53.9	145.5	0	0	112.4	P459 F460 F463 L614 A620 Q621 L622	P459-E618 HydrophobicContact CB-CG 4.28Å; F460-E618 HydrophobicContact CD1-CB 4.34Å; F460-E618 HydrophobicContact CD2-CB 4.33Å; F460-E618 HydrophobicContact CE1-CB 3.83Å; F460-E618 HydrophobicContact CE2-CB 3.79Å; F460-E618 HydrophobicContact CZ-CB 3.51Å; F463-E618 HydrophobicContact CD2-CG 3.97Å; F463-E618 HydrophobicContact CE2-CG 3.52Å; L614-E618 PolarHBondContact O-N 3.29Å; L614-E618 VanDerWaalsContact O-N 3.08Å; E618-A620 VanDerWaalsContact C-N 3.34Å; E618-Q621 PolarHBondContact O-N 2.95Å; E618-L622 PolarHBondContact O-N 3.42Å
619	L	96.6	Very high	94.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.8	-38.8	175.1	-76.6	168.9	0	0	0	111.9	L404 I407 I410 V433 I440 F460 L615 N616 L622 D623	L404-L619 HydrophobicContact CD2-CD2 4.48Å; I407-L619 HydrophobicContact CD1-CD1 3.97Å; I407-L619 HydrophobicContact CD1-CD2 3.64Å; I407-L619 HydrophobicContact CD1-CG 4.34Å; I407-L619 HydrophobicContact CG2-CD1 4.21Å; I410-L619 HydrophobicContact CD1-CD1 3.35Å; V433-L619 HydrophobicContact CG1-CD1 4.03Å; I440-L619 HydrophobicContact CD1-CD2 4.09Å; F460-L619 HydrophobicContact CE1-CD2 3.78Å; F460-L619 HydrophobicContact CE1-CG 3.74Å; F460-L619 HydrophobicContact CZ-CD2 3.7Å; F460-L619 HydrophobicContact CZ-CG 3.86Å; L615-L619 HydrophobicContact CD1-CD1 4.16Å; L615-L619 HydrophobicContact CD1-CG 4.41Å; L615-L619 HydrophobicContact CG-CD1 3.98Å; L615-L619 WeakPolarHBondContact O-CB 3.33Å; L615-L619 WeakPolarHBondContact O-CG 3.46Å; L615-L619 PolarHBondContact O-N 3.2Å; N616-L619 PolarHBondContact O-N 3.21Å; L619-L622 PolarHBondContact O-N 3.27Å; L619-D623 WeakPolarHBondContact O-CB 3.35Å; L619-D623 PolarHBondContact O-N 3.43Å
620	A	95.4	Very high	94.7	Very high	3 Å²	3	14.9 Å²	14.9	3%	0.025	8%	0.083	C	C	.	.	H	α-helix	trans	-62.3	-44.3	173.9	0	0	0	0	0	111.2	Q360 L364 N616 N617 E618 D623 C624	Q360-A620 HydrophobicContact CB-CB 3.95Å; Q360-A620 HydrophobicContact CG-CB 3.86Å; Q360-A620 WeakPolarHBondContact O-CB 3.17Å; L364-A620 HydrophobicContact CB-CB 4.05Å; L364-A620 HydrophobicContact CD2-CB 3.7Å; N616-A620 WeakPolarHBondContact O-CB 3.41Å; N616-A620 PolarHBondContact O-N 3.06Å; N617-A620 PolarHBondContact O-N 3.44Å; E618-A620 VanDerWaalsContact C-N 3.34Å; A620-D623 PolarHBondContact O-N 3.46Å; A620-C624 PolarHBondContact O-N 3.05Å; A620-C624 PolarHBondContact O-SG 3.19Å; A620-C624 VanDerWaalsContact O-SG 3.33Å
621	Q	97.1	Very high	95.3	Very high	47 Å²	47	13.6 Å²	13.6	22%	0.22	7%	0.072	C	C	.	.	H	α-helix	trans	-61.3	-46.6	177	175.6	171.4	-12.9	0	0	111.7	L364 W368 N617 E618 D623 C624 L625	L364-Q621 HydrophobicContact CD2-CB 4.22Å; W368-Q621 HydrophobicContact CH2-CG 4.04Å; W368-Q621 HydrophobicContact CZ2-CB 4.39Å; W368-Q621 HydrophobicContact CZ2-CG 4.09Å; N617-Q621 PolarHBondContact O-N 3.17Å; E618-Q621 PolarHBondContact O-N 2.95Å; Q621-D623 PolarHBondContact O-N 2.83Å; Q621-C624 PolarHBondContact O-N 3.15Å; Q621-L625 HydrophobicContact CG-CD1 4.08Å; Q621-L625 VanDerWaalsContact O-CG 3.31Å; Q621-L625 WeakPolarHBondContact O-CG 3.2Å; Q621-L625 PolarHBondContact O-N 3.16Å; Q621-L625 VanDerWaalsContact O-N 3.08Å
622	L	97.8	Very high	95.6	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-59.4	-45.9	175.8	175.1	63	0	0	0	111.6	L404 I440 L444 I456 E618 L619 C624 L625 V626	L404-L622 HydrophobicContact CD2-CD2 4.42Å; I440-L622 HydrophobicContact CG2-CD2 3.54Å; L444-L622 HydrophobicContact CD1-CD1 4.21Å; L444-L622 HydrophobicContact CD1-CD2 4.09Å; L444-L622 HydrophobicContact CD2-CD1 4.14Å; I456-L622 HydrophobicContact CD1-CD1 4.09Å; E618-L622 PolarHBondContact O-N 3.42Å; L619-L622 PolarHBondContact O-N 3.27Å; L622-C624 PolarHBondContact O-N 3.12Å; L622-L625 PolarHBondContact O-N 3.23Å; L622-V626 HydrophobicContact CD1-CG2 4.17Å; L622-V626 WeakPolarHBondContact O-CG2 3.48Å; L622-V626 PolarHBondContact O-N 2.87Å
623	D	98.1	Very high	95.8	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-61.3	-42.7	179.2	-165.6	20.9	0	0	0	111.5	C356 R357 T358 L404 L619 A620 Q621 L625 V626 S627	C356-D623 WeakPolarHBondContact CA-OD1 3.44Å; C356-D623 WeakPolarHBondContact CB-OD2 3.48Å; R357-D623 VanDerWaalsContact N-CG 3.34Å; R357-D623 PolarHBondContact N-OD1 3.35Å; R357-D623 PolarHBondContact N-OD2 3.14Å; T358-D623 WeakPolarHBondContact CB-OD2 3.33Å; T358-D623 PolarHBondContact N-OD2 3.18Å; T358-D623 PolarHBondContact OG1-OD2 3.33Å; L404-D623 HydrophobicContact CD1-CB 4.24Å; L404-D623 HydrophobicContact CD2-CB 4.35Å; L619-D623 WeakPolarHBondContact O-CB 3.35Å; L619-D623 PolarHBondContact O-N 3.43Å; A620-D623 PolarHBondContact O-N 3.46Å; Q621-D623 PolarHBondContact O-N 2.83Å; D623-L625 PolarHBondContact O-N 3.44Å; D623-V626 PolarHBondContact O-N 2.81Å; D623-S627 VanDerWaalsContact O-CB 3.24Å; D623-S627 WeakPolarHBondContact O-CB 3.06Å; D623-S627 PolarHBondContact O-N 2.8Å
624	C	98.1	Very high	96.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.9	-40	174.2	-69.5	0	0	0	0	113.1	G361 M365 W368 A620 Q621 L622 S627 F628	G361-C624 PolarHBondContact O-SG 2.83Å; M365-C624 HydrophobicContact CE-CB 3.77Å; W368-C624 HydrophobicContact CE3-CB 3.85Å; W368-C624 HydrophobicContact CH2-CB 3.67Å; W368-C624 HydrophobicContact CZ2-CB 4.4Å; W368-C624 HydrophobicContact CZ3-CB 3.35Å; A620-C624 PolarHBondContact O-N 3.05Å; A620-C624 PolarHBondContact O-SG 3.19Å; A620-C624 VanDerWaalsContact O-SG 3.33Å; Q621-C624 PolarHBondContact O-N 3.15Å; L622-C624 PolarHBondContact O-N 3.12Å; C624-S627 VanDerWaalsContact O-CB 3.26Å; C624-S627 WeakPolarHBondContact O-CB 3.48Å; C624-S627 PolarHBondContact O-N 3.12Å; C624-F628 WeakPolarHBondContact O-CG 3.45Å; C624-F628 PolarHBondContact O-N 2.86Å
625	L	98.3	Very high	96.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-70.9	-39.6	179.3	-66.8	170	0	0	0	112	W368 R382 I385 V386 I456 Q621 L622 D623 S627 F628 A629	W368-L625 HydrophobicContact CH2-CD2 4.33Å; W368-L625 HydrophobicContact CH2-CG 4.27Å; W368-L625 HydrophobicContact CZ3-CD2 4.27Å; R382-L625 HydrophobicContact CB-CD2 3.89Å; R382-L625 HydrophobicContact CG-CD2 3.92Å; I385-L625 HydrophobicContact CB-CD1 4.28Å; I385-L625 HydrophobicContact CD1-CD1 3.85Å; I385-L625 HydrophobicContact CG2-CB 4.25Å; I385-L625 HydrophobicContact CG2-CD1 3.92Å; V386-L625 HydrophobicContact CG2-CD2 4.13Å; I456-L625 HydrophobicContact CD1-CD1 4.25Å; Q621-L625 HydrophobicContact CG-CD1 4.08Å; Q621-L625 VanDerWaalsContact O-CG 3.31Å; Q621-L625 WeakPolarHBondContact O-CG 3.2Å; Q621-L625 PolarHBondContact O-N 3.16Å; Q621-L625 VanDerWaalsContact O-N 3.08Å; L622-L625 PolarHBondContact O-N 3.23Å; D623-L625 PolarHBondContact O-N 3.44Å; L625-S627 VanDerWaalsContact C-N 3.26Å; L625-S627 PolarHBondContact O-N 2.91Å; L625-F628 HydrophobicContact CD2-CD2 4.37Å; L625-F628 PolarHBondContact O-N 2.93Å; L625-A629 PolarHBondContact O-N 3.48Å; L625-A629 VanDerWaalsContact O-N 3.15Å
626	V	98.3	Very high	96.2	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-60.9	-40.6	169.7	171.1	0	0	0	0	110.2	L389 M396 L399 L404 L622 D623 A629 I630	L389-V626 HydrophobicContact CD1-CG2 3.97Å; M396-V626 HydrophobicContact CG-CG1 4.18Å; L399-V626 HydrophobicContact CB-CG2 4.35Å; L399-V626 HydrophobicContact CD1-CG2 4.22Å; L404-V626 HydrophobicContact CD1-CB 4.28Å; L404-V626 HydrophobicContact CD1-CG1 4.34Å; L404-V626 HydrophobicContact CD1-CG2 4.16Å; L622-V626 HydrophobicContact CD1-CG2 4.17Å; L622-V626 WeakPolarHBondContact O-CG2 3.48Å; L622-V626 PolarHBondContact O-N 2.87Å; D623-V626 PolarHBondContact O-N 2.81Å; V626-A629 PolarHBondContact O-N 3.31Å; V626-I630 HydrophobicContact CG1-CD1 3.86Å; V626-I630 HydrophobicContact CG1-CG1 4.44Å; V626-I630 WeakPolarHBondContact O-CG1 3.49Å; V626-I630 PolarHBondContact O-N 3.46Å
627	S	97.9	Very high	96.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.4	-44.2	176.5	-170.9	0	0	0	0	112.7	L353 H355 C356 D623 C624 L625 A629 I630 A631	L353-S627 PolarHBondContact O-OG 3.44Å; H355-S627 VanDerWaalsContact CA-OG 3.28Å; H355-S627 WeakPolarHBondContact CA-OG 3.42Å; H355-S627 WeakPolarHBondContact CB-OG 3.33Å; H355-S627 PolarHBondContact N-OG 3.02Å; C356-S627 PolarHBondContact N-OG 3.35Å; D623-S627 VanDerWaalsContact O-CB 3.24Å; D623-S627 WeakPolarHBondContact O-CB 3.06Å; D623-S627 PolarHBondContact O-N 2.8Å; C624-S627 VanDerWaalsContact O-CB 3.26Å; C624-S627 WeakPolarHBondContact O-CB 3.48Å; C624-S627 PolarHBondContact O-N 3.12Å; L625-S627 VanDerWaalsContact C-N 3.26Å; L625-S627 PolarHBondContact O-N 2.91Å; S627-A629 PolarHBondContact O-N 2.85Å; S627-I630 PolarHBondContact O-N 3.2Å; S627-A631 WeakPolarHBondContact O-CB 3.26Å; S627-A631 PolarHBondContact O-N 2.93Å
628	F	98.4	Very high	96.4	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.009	15%	0.15	C	C	.	.	H	α-helix	trans	-61.7	-41.7	174.4	-69.4	-20.4	0	0	0	113	L353 M365 W368 V386 C624 L625 A631 A632 I711 A713	L353-F628 HydrophobicContact CB-CD1 4.32Å; L353-F628 HydrophobicContact CB-CE1 4.07Å; L353-F628 HydrophobicContact CD1-CE1 3.96Å; L353-F628 HydrophobicContact CD2-CD1 4.05Å; L353-F628 HydrophobicContact CD2-CE1 4.25Å; L353-F628 HydrophobicContact CG-CE1 4.33Å; M365-F628 HydrophobicContact CE-CD1 3.8Å; M365-F628 HydrophobicContact CE-CE1 3.37Å; M365-F628 HydrophobicContact CE-CZ 3.94Å; M365-F628 HydrophobicContact SD-CD1 4.3Å; M365-F628 HydrophobicContact SD-CE1 3.35Å; M365-F628 WeakPolarHBondContact SD-CE1 3.37Å; M365-F628 HydrophobicContact SD-CZ 3.76Å; W368-F628 AromaticContact CE3-CE2 3.7Å; W368-F628 HydrophobicContact CE3-CE2 3.7Å; W368-F628 AromaticContact CE3-CZ 3.69Å; W368-F628 HydrophobicContact CE3-CZ 3.69Å; W368-F628 HydrophobicContact CZ3-CD2 4.48Å; W368-F628 AromaticContact CZ3-CE2 3.65Å; W368-F628 HydrophobicContact CZ3-CE2 3.65Å; W368-F628 HydrophobicContact CZ3-CZ 4.08Å; V386-F628 HydrophobicContact CG1-CB 4.45Å; V386-F628 HydrophobicContact CG2-CB 3.84Å; V386-F628 HydrophobicContact CG2-CD2 4.32Å; C624-F628 WeakPolarHBondContact O-CG 3.45Å; C624-F628 PolarHBondContact O-N 2.86Å; L625-F628 HydrophobicContact CD2-CD2 4.37Å; L625-F628 PolarHBondContact O-N 2.93Å; F628-A631 PolarHBondContact O-N 2.95Å; F628-A632 VanDerWaalsContact O-CB 3.3Å; F628-A632 WeakPolarHBondContact O-CB 3.34Å; F628-A632 PolarHBondContact O-N 2.83Å; F628-I711 HydrophobicContact CE1-CG2 4.24Å; F628-I711 HydrophobicContact CE2-CG2 4.07Å; F628-I711 HydrophobicContact CZ-CG2 3.42Å; F628-I711 VanDerWaalsContact CZ-CG2 3.42Å; F628-A713 HydrophobicContact CB-CB 4.49Å; F628-A713 HydrophobicContact CD1-CB 3.86Å; F628-A713 HydrophobicContact CD2-CB 4.07Å; F628-A713 HydrophobicContact CE1-CB 4.01Å; F628-A713 HydrophobicContact CE2-CB 4.24Å; F628-A713 HydrophobicContact CG-CB 3.9Å; F628-A713 HydrophobicContact CZ-CB 4.24Å
629	A	98.2	Very high	96.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.6	-41.4	175.8	0	0	0	0	0	111.6	V386 L389 L390 M396 L625 V626 S627 A632 R633	V386-A629 HydrophobicContact CG1-CB 4.21Å; L389-A629 HydrophobicContact CB-CB 3.83Å; L389-A629 HydrophobicContact CD1-CB 4.4Å; L390-A629 HydrophobicContact CD2-CB 4.23Å; L390-A629 VanDerWaalsContact CD2-O 3.23Å; L390-A629 WeakPolarHBondContact CD2-O 3.39Å; L390-A629 HydrophobicContact CG-CB 4.11Å; M396-A629 HydrophobicContact CG-CB 4.49Å; M396-A629 HydrophobicContact SD-CB 3.53Å; M396-A629 VanDerWaalsContact SD-CB 3.53Å; L625-A629 PolarHBondContact O-N 3.48Å; L625-A629 VanDerWaalsContact O-N 3.15Å; V626-A629 PolarHBondContact O-N 3.31Å; S627-A629 PolarHBondContact O-N 2.85Å; A629-A632 PolarHBondContact O-N 2.85Å; A629-R633 WeakPolarHBondContact O-CB 3.48Å; A629-R633 PolarHBondContact O-N 3.23Å
630	I	97.6	Very high	96.7	Very high	27 Å²	27	27.3 Å²	27.3	14%	0.138	16%	0.156	C	C	.	.	H	α-helix	trans	-63.3	-48.1	175.4	-67.5	168.2	0	0	0	110.9	H355 M396 S400 V626 S627 A632 R633 S634	H355-I630 HydrophobicContact CB-CB 4.22Å; H355-I630 HydrophobicContact CB-CG2 3.94Å; M396-I630 HydrophobicContact CE-CG1 4.18Å; M396-I630 HydrophobicContact CG-CG1 4.17Å; M396-I630 HydrophobicContact SD-CG1 3.73Å; S400-I630 WeakPolarHBondContact OG-CD1 3.4Å; V626-I630 HydrophobicContact CG1-CD1 3.86Å; V626-I630 HydrophobicContact CG1-CG1 4.44Å; V626-I630 WeakPolarHBondContact O-CG1 3.49Å; V626-I630 PolarHBondContact O-N 3.46Å; S627-I630 PolarHBondContact O-N 3.2Å; I630-A632 VanDerWaalsContact C-N 3.34Å; I630-A632 PolarHBondContact O-N 3.11Å; I630-R633 PolarHBondContact O-N 3.15Å; I630-S634 VanDerWaalsContact O-CB 3.24Å; I630-S634 WeakPolarHBondContact O-CB 3.33Å; I630-S634 PolarHBondContact O-N 3.07Å; I630-S634 PolarHBondContact O-OG 3.48Å
631	A	96.6	Very high	96.8	Very high	3 Å²	3	31.7 Å²	31.7	3%	0.025	17%	0.172	C	C	.	.	H	α-helix	trans	-57.4	-48.6	178.8	0	0	0	0	0	110.8	L353 S627 F628 R633 S634 A635	L353-A631 HydrophobicContact CD2-CB 4.25Å; S627-A631 WeakPolarHBondContact O-CB 3.26Å; S627-A631 PolarHBondContact O-N 2.93Å; F628-A631 PolarHBondContact O-N 2.95Å; A631-R633 PolarHBondContact O-N 3.28Å; A631-S634 PolarHBondContact O-N 2.98Å; A631-S634 PolarHBondContact O-OG 3.48Å; A631-A635 PolarHBondContact O-N 2.97Å
632	A	97.3	Very high	96.9	Very high	2 Å²	2	29.6 Å²	29.6	2%	0.017	16%	0.162	C	C	.	.	H	α-helix	trans	-60.6	-38.8	178.2	0	0	0	0	0	113.6	L390 F628 A629 I630 P638 Y639 F714	L390-A632 HydrophobicContact CD1-CB 4.16Å; L390-A632 HydrophobicContact CD2-CB 4.23Å; F628-A632 VanDerWaalsContact O-CB 3.3Å; F628-A632 WeakPolarHBondContact O-CB 3.34Å; F628-A632 PolarHBondContact O-N 2.83Å; A629-A632 PolarHBondContact O-N 2.85Å; I630-A632 VanDerWaalsContact C-N 3.34Å; I630-A632 PolarHBondContact O-N 3.11Å; A632-P638 VanDerWaalsContact O-CA 3.29Å; A632-P638 WeakPolarHBondContact O-CA 3.26Å; A632-Y639 HydrophobicContact CB-CD2 4.29Å; A632-Y639 HydrophobicContact CB-CG 4.38Å; A632-Y639 PolarHBondContact O-N 3.37Å; A632-Y639 VanDerWaalsContact O-N 3.08Å; A632-F714 HydrophobicContact CB-CB 4.07Å
633	R	95.9	Very high	96.9	Very high	114 Å²	114	35.8 Å²	35.8	43%	0.43	19%	0.189	S	C	.	.	H	α-helix	trans	-77.2	-35	178.7	-174	-178.5	177.6	-158.2	-3.7	113.1	L390 P393 E397 A629 I630 A631	L390-R633 HydrophobicContact CD2-CB 3.9Å; P393-R633 VanDerWaalsContact CB-NH1 3.26Å; E397-R633 IonicContact OE1-CZ 3.88Å; E397-R633 IonicContact OE1-NH1 3.71Å; E397-R633 PolarHBondContact OE1-NH1 3.14Å; E397-R633 IonicContact OE1-NH2 3.86Å; A629-R633 WeakPolarHBondContact O-CB 3.48Å; A629-R633 PolarHBondContact O-N 3.23Å; I630-R633 PolarHBondContact O-N 3.15Å; A631-R633 PolarHBondContact O-N 3.28Å
634	S	94.1	Very high	96.8	Very high	70 Å²	70	36.2 Å²	36.2	49%	0.49	19%	0.191	S	C	.	.	H	α-helix	trans	-83.9	-11.5	-173.6	68.4	0	0	0	0	114.5	I630 A631	I630-S634 VanDerWaalsContact O-CB 3.24Å; I630-S634 WeakPolarHBondContact O-CB 3.33Å; I630-S634 PolarHBondContact O-N 3.07Å; I630-S634 PolarHBondContact O-OG 3.48Å; A631-S634 PolarHBondContact O-N 2.98Å; A631-S634 PolarHBondContact O-OG 3.48Å
635	A	93.8	Very high	96.8	Very high	9 Å²	9	37.5 Å²	37.5	7%	0.074	20%	0.198	C	C	.	.	S	Bend	trans	-61.6	154.1	175.6	0	0	0	0	0	112.2	A631 T637 Y639	A631-A635 PolarHBondContact O-N 2.97Å; A635-T637 PolarHBondContact O-N 2.85Å; A635-Y639 HydrophobicContact CB-CD1 3.74Å; A635-Y639 HydrophobicContact CB-CE1 3.25Å; A635-Y639 HydrophobicContact CB-CE2 4.36Å; A635-Y639 HydrophobicContact CB-CG 4.47Å
636	P	92.4	Very high	96.6	Very high	83 Å²	83	42.5 Å²	42.5	54%	0.539	22%	0.221	S	C	.	.	S	Bend	trans	-56.8	-36.1	-179.3	-24.4	33.5	0	0	0	113.4	E663 L664	P636-E663 HydrophobicContact CG-CG 4.37Å; P636-L664 HydrophobicContact CG-CD2 4.28Å
637	T	93.6	Very high	96.1	Very high	80 Å²	80	45.8 Å²	45.8	49%	0.491	24%	0.237	S	C	.	.	S	Bend	trans	-127.2	125.8	165.7	-64	0	0	0	0	107.3	A635 R658	A635-T637 PolarHBondContact O-N 2.85Å; T637-R658 PolarHBondContact O-NH1 2.77Å
638	P	95.3	Very high	95.5	Very high	81 Å²	81	47.1 Å²	47.1	53%	0.526	25%	0.25	S	S	.	.			trans	-51.7	142.8	-173.8	-29.3	34.8	0	0	0	113	A632	A632-P638 VanDerWaalsContact O-CA 3.29Å; A632-P638 WeakPolarHBondContact O-CA 3.26Å
639	Y	97.9	Very high	95.2	Very high	11 Å²	11	49 Å²	49	4%	0.043	27%	0.266	C	S	.	.			trans	-74.8	153.6	176.5	-62.8	-11	0	0	0	110.9	A632 A635 P660 E663 M708 V715 P716	A632-Y639 HydrophobicContact CB-CD2 4.29Å; A632-Y639 HydrophobicContact CB-CG 4.38Å; A632-Y639 PolarHBondContact O-N 3.37Å; A632-Y639 VanDerWaalsContact O-N 3.08Å; A635-Y639 HydrophobicContact CB-CD1 3.74Å; A635-Y639 HydrophobicContact CB-CE1 3.25Å; A635-Y639 HydrophobicContact CB-CE2 4.36Å; A635-Y639 HydrophobicContact CB-CG 4.47Å; Y639-P660 WeakPolarHBondContact OH-CB 3.37Å; Y639-E663 WeakPolarHBondContact CE1-OE1 3.41Å; Y639-E663 VanDerWaalsContact CZ-OE1 3.31Å; Y639-E663 PolarHBondContact OH-OE1 3.29Å; Y639-M708 HydrophobicContact CD2-CE 3.92Å; Y639-M708 HydrophobicContact CE2-CE 3.67Å; Y639-V715 WeakPolarHBondContact CA-O 3.48Å; Y639-V715 WeakPolarHBondContact CB-O 3.49Å; Y639-P716 HydrophobicContact CD1-CB 3.85Å; Y639-P716 HydrophobicContact CE1-CB 3.53Å
640	V	97.9	Very high	94.9	Very high	38 Å²	38	50.4 Å²	50.4	23%	0.23	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-110.9	149.7	-175.7	-61.4	0	0	0	0	111.3	P642 F714 V715 C717	V640-P642 WeakPolarHBondContact O-CD 3.44Å; V640-F714 WeakPolarHBondContact O-CA 3.5Å; V640-F714 WeakPolarHBondContact O-CB 3.31Å; V640-V715 HydrophobicContact CG2-CG2 4.03Å; V640-V715 PolarHBondContact N-O 3.39Å; V640-V715 PolarHBondContact O-N 2.94Å; V640-C717 VanDerWaalsContact CG1-O 3.3Å; V640-C717 WeakPolarHBondContact CG1-O 3.31Å; V640-C717 HydrophobicContact CG2-CB 3.95Å; V640-C717 VanDerWaalsContact CG2-O 3.3Å; V640-C717 WeakPolarHBondContact CG2-O 3.35Å
641	R	98.4	Very high	94.9	Very high	95 Å²	95	52.3 Å²	52.3	36%	0.358	28%	0.28	S	S	.	.			trans	-68	121.2	175.8	-177.3	176.9	169.8	159	3.9	110	H383 N384 F714	H383-R641 HydrophobicContact CB-CG 4.39Å; N384-R641 PolarHBondContact OD1-NH1 3.12Å; N384-R641 PolarHBondContact OD1-NH2 3.43Å; R641-F714 HydrophobicContact CB-CD1 4.32Å; R641-F714 HydrophobicContact CB-CD2 4.23Å; R641-F714 HydrophobicContact CB-CE1 3.84Å; R641-F714 HydrophobicContact CB-CE2 3.71Å; R641-F714 HydrophobicContact CB-CZ 3.52Å; R641-F714 HydrophobicContact CG-CE1 3.88Å; R641-F714 HydrophobicContact CG-CZ 3.89Å
642	P	98	Very high	94.9	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.019	28%	0.279	C	S	.	.			trans	-74.9	141	175.1	31.1	-34.5	0	0	0	111.3	V640 M644 A709 V715 A720 I722	V640-P642 WeakPolarHBondContact O-CD 3.44Å; P642-M644 HydrophobicContact CB-SD 4.14Å; P642-M644 HydrophobicContact CG-SD 4.22Å; P642-M644 PolarHBondContact O-N 3.45Å; P642-A709 HydrophobicContact CB-CB 4.06Å; P642-A709 HydrophobicContact CG-CB 3.87Å; P642-V715 HydrophobicContact CB-CG1 4.36Å; P642-V715 HydrophobicContact CB-CG2 4.2Å; P642-V715 HydrophobicContact CG-CG1 4.27Å; P642-A720 HydrophobicContact CB-CB 4.18Å; P642-I722 HydrophobicContact CB-CD1 4.04Å
643	K	97.9	Very high	95	Very high	132 Å²	132	53 Å²	53	57%	0.574	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	103.4	168.8	-177.1	-174.4	177	-168.4	0	109.2	L645 A720 T721 I722	K643-L645 HydrophobicContact CD-CD2 4.37Å; K643-L645 HydrophobicContact CG-CD2 4.34Å; K643-A720 PolarHBondContact N-O 3.06Å; K643-T721 HydrophobicContact CD-CG2 4.33Å; K643-I722 PolarHBondContact O-N 3.36Å
644	M	97.6	Very high	95.1	Very high	9 Å²	9	47.6 Å²	47.6	4%	0.044	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	117.9	178.6	-56.5	-53.4	-64.2	0	0	111.2	R376 L379 P642 A709 I722 M724	R376-M644 HydrophobicContact CG-CB 4.12Å; L379-M644 HydrophobicContact CD1-CE 4.09Å; P642-M644 HydrophobicContact CB-SD 4.14Å; P642-M644 HydrophobicContact CG-SD 4.22Å; P642-M644 PolarHBondContact O-N 3.45Å; M644-A709 HydrophobicContact CE-CB 4.38Å; M644-A709 HydrophobicContact SD-CB 3.87Å; M644-I722 CarbonylContact C-O 3.46Å; M644-I722 WeakPolarHBondContact CA-O 3.41Å; M644-I722 HydrophobicContact CE-CB 4.39Å; M644-I722 HydrophobicContact CE-CG2 4.16Å; M644-I722 HydrophobicContact SD-CB 4.21Å; M644-M724 HydrophobicContact CE-SD 3.49Å; M644-M724 WeakPolarHBondContact CE-SD 3.31Å
645	L	96.9	Very high	95.3	Very high	28 Å²	28	48.4 Å²	48.4	15%	0.147	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	159.9	173.8	-53.5	177.3	0	0	0	111	K643 A649 E651 T721 I722 M724	K643-L645 HydrophobicContact CD-CD2 4.37Å; K643-L645 HydrophobicContact CG-CD2 4.34Å; L645-A649 HydrophobicContact CB-CB 3.87Å; L645-A649 HydrophobicContact CD1-CB 4.17Å; L645-E651 HydrophobicContact CD1-CB 3.84Å; L645-E651 HydrophobicContact CD1-CG 4.2Å; L645-E651 VanDerWaalsContact CD1-OE2 3.31Å; L645-E651 WeakPolarHBondContact CD1-OE2 3.46Å; L645-T721 HydrophobicContact CD1-CG2 3.49Å; L645-T721 VanDerWaalsContact CD1-CG2 3.49Å; L645-T721 HydrophobicContact CD2-CG2 4.17Å; L645-T721 HydrophobicContact CG-CG2 3.78Å; L645-I722 PolarHBondContact N-O 3.43Å; L645-M724 VanDerWaalsContact O-CG 3.29Å; L645-M724 WeakPolarHBondContact O-CG 3.34Å; L645-M724 PolarHBondContact O-N 3.4Å; L645-M724 VanDerWaalsContact O-N 3.16Å
646	E	93.5	Very high	95.5	Very high	105 Å²	105	51.6 Å²	51.6	49%	0.491	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-62.7	155.9	177.8	-64.6	-66.7	174.7	0	0	112.5	R376 G648 A649	R376-E646 IonicContact CZ-OE1 3.99Å; R376-E646 IonicContact NE-OE1 2.78Å; R376-E646 PolarHBondContact NE-OE1 2.89Å; R376-E646 IonicContact NE-OE2 3.08Å; R376-E646 PolarHBondContact NE-OE2 3.35Å; R376-E646 IonicContact NH2-OE1 2.62Å; R376-E646 PolarHBondContact NH2-OE1 2.88Å; E646-G648 PolarHBondContact O-N 3.47Å; E646-A649 WeakPolarHBondContact O-CB 3.16Å; E646-A649 PolarHBondContact O-N 2.99Å; E646-A649 VanDerWaalsContact O-N 3.17Å
647	E	87.9	Confident	95.7	Very high	69 Å²	69	47.7 Å²	47.7	32%	0.322	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	130.2	174.8	-166.9	178.3	135.1	0	0	110.2	R374 M724 K762	R374-E647 IonicContact CZ-OE2 2.72Å; R374-E647 IonicContact NE-OE2 2.75Å; R374-E647 PolarHBondContact NE-OE2 2.99Å; R374-E647 IonicContact NH2-OE1 3.32Å; R374-E647 PolarHBondContact NH2-OE1 3.29Å; R374-E647 IonicContact NH2-OE2 3.39Å; R374-E647 PolarHBondContact NH2-OE2 3.27Å; E647-M724 HydrophobicContact CB-CB 4.07Å; E647-K762 HydrophobicContact CG-CD 3.83Å; E647-K762 HydrophobicContact CG-CG 4.06Å; E647-K762 VanDerWaalsContact OE1-CD 3.25Å; E647-K762 WeakPolarHBondContact OE1-CD 3.38Å; E647-K762 WeakPolarHBondContact OE1-CE 3.31Å; E647-K762 IonicContact OE1-NZ 2.94Å; E647-K762 PolarHBondContact OE1-NZ 3.47Å
648	G	87.2	Confident	95.9	Very high	28 Å²	28	45 Å²	45	29%	0.289	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	-2	-177.2	0	0	0	0	0	115.7	E646 R650	E646-G648 PolarHBondContact O-N 3.47Å; G648-R650 PolarHBondContact O-N 3.36Å
649	A	91.7	Very high	96	Very high	41 Å²	41	41.3 Å²	41.3	34%	0.339	21%	0.206	S	C	.	.			trans	-61.2	-29.2	169.3	0	0	0	0	0	112.1	L645 E646 E651	L645-A649 HydrophobicContact CB-CB 3.87Å; L645-A649 HydrophobicContact CD1-CB 4.17Å; E646-A649 WeakPolarHBondContact O-CB 3.16Å; E646-A649 PolarHBondContact O-N 2.99Å; E646-A649 VanDerWaalsContact O-N 3.17Å; A649-E651 VanDerWaalsContact C-N 3.32Å; A649-E651 PolarHBondContact O-N 2.9Å
650	R	91.9	Very high	95.8	Very high	31 Å²	31	40.8 Å²	40.8	12%	0.117	20%	0.204	C	C	.	.			trans	56	43.1	173.6	-66.8	-177	67.3	-146.1	-14.8	113.4	G648 K679 S723 D761 K795 F797	G648-R650 PolarHBondContact O-N 3.36Å; R650-K679 HydrophobicContact CB-CB 3.97Å; R650-K679 HydrophobicContact CB-CD 4.45Å; R650-K679 HydrophobicContact CB-CG 4.13Å; R650-K679 PolarHBondContact O-N 3.24Å; R650-S723 PolarHBondContact N-OG 3.45Å; R650-D761 PolarHBondContact NE-O 2.82Å; R650-K795 PolarHBondContact NH2-O 3.36Å; R650-F797 VanDerWaalsContact C-CZ 3.49Å; R650-F797 HydrophobicContact CB-CZ 4.39Å
651	E	96.4	Very high	95.7	Very high	66 Å²	66	39.2 Å²	39.2	31%	0.308	19%	0.194	S	C	.	.			trans	-124.6	129	174	-178.7	178.2	-172.9	0	0	110.2	L645 A649 V653 F677 T721 S723	L645-E651 HydrophobicContact CD1-CB 3.84Å; L645-E651 HydrophobicContact CD1-CG 4.2Å; L645-E651 VanDerWaalsContact CD1-OE2 3.31Å; L645-E651 WeakPolarHBondContact CD1-OE2 3.46Å; A649-E651 VanDerWaalsContact C-N 3.32Å; A649-E651 PolarHBondContact O-N 2.9Å; E651-V653 HydrophobicContact CG-CG2 3.91Å; E651-F677 WeakPolarHBondContact CA-O 3.4Å; E651-T721 HydrophobicContact CG-CG2 4.36Å; E651-S723 PolarHBondContact N-OG 3.37Å; E651-S723 VanDerWaalsContact O-CB 3.31Å; E651-S723 WeakPolarHBondContact O-CB 3.5Å; E651-S723 PolarHBondContact O-N 3.49Å; E651-S723 PolarHBondContact O-OG 2.96Å
652	L	98.1	Very high	95.4	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.016	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	101.6	175.1	170.1	62.3	0	0	0	108.3	L654 F677 V702 V706 T721 I722 L764 F797	L652-L654 HydrophobicContact CD1-CD1 4.33Å; L652-L654 HydrophobicContact CD1-CD2 4.08Å; L652-L654 HydrophobicContact CD1-CG 4.02Å; L652-F677 HydrophobicContact CB-CB 4.12Å; L652-F677 HydrophobicContact CB-CD2 4.08Å; L652-F677 HydrophobicContact CD2-CD2 3.82Å; L652-F677 HydrophobicContact CD2-CE2 4.13Å; L652-F677 HydrophobicContact CG-CD2 4.08Å; L652-F677 PolarHBondContact N-O 2.94Å; L652-F677 PolarHBondContact O-N 3.33Å; L652-V702 HydrophobicContact CD2-CG1 4.14Å; L652-V706 HydrophobicContact CD1-CG2 3.74Å; L652-V706 HydrophobicContact CD2-CG2 4.07Å; L652-T721 WeakPolarHBondContact CA-O 3.47Å; L652-I722 HydrophobicContact CD1-CB 4.36Å; L652-I722 HydrophobicContact CD1-CG1 3.86Å; L652-I722 HydrophobicContact CD1-CG2 4.24Å; L652-L764 HydrophobicContact CD2-CD1 4.35Å; L652-F797 HydrophobicContact CB-CD1 4.39Å; L652-F797 HydrophobicContact CB-CE1 4.06Å; L652-F797 HydrophobicContact CB-CZ 4.11Å
653	V	98.3	Very high	95.2	Very high	17 Å²	17	37.7 Å²	37.7	10%	0.103	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	115.5	-179.2	-174	0	0	0	0	108.5	E651 V675 D676 L719 A720 T721	E651-V653 HydrophobicContact CG-CG2 3.91Å; V653-V675 WeakPolarHBondContact CA-O 3.43Å; V653-D676 WeakPolarHBondContact CG2-OD1 3.31Å; V653-L719 HydrophobicContact CG1-CD2 4.45Å; V653-A720 CarbonylContact O-C 3.58Å; V653-A720 WeakPolarHBondContact O-CA 3.29Å; V653-T721 PolarHBondContact N-O 3.12Å; V653-T721 PolarHBondContact O-N 3.15Å
654	L	98.5	Very high	94.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	117.7	172.1	-46.8	172.9	0	0	0	108.2	L652 V657 S674 V675 V702 A705 L719 A720 I722	L652-L654 HydrophobicContact CD1-CD1 4.33Å; L652-L654 HydrophobicContact CD1-CD2 4.08Å; L652-L654 HydrophobicContact CD1-CG 4.02Å; L654-V657 HydrophobicContact CB-CB 4.1Å; L654-V657 HydrophobicContact CD1-CB 4.39Å; L654-V657 HydrophobicContact CD1-CG2 4.2Å; L654-S674 CarbonylContact O-C 3.56Å; L654-S674 WeakPolarHBondContact O-CA 3.26Å; L654-S674 WeakPolarHBondContact O-CB 3.47Å; L654-V675 HydrophobicContact CB-CG1 3.86Å; L654-V675 HydrophobicContact CD1-CG1 3.93Å; L654-V675 HydrophobicContact CG-CG1 3.88Å; L654-V675 PolarHBondContact N-O 2.99Å; L654-V675 PolarHBondContact O-N 3.15Å; L654-V702 HydrophobicContact CD1-CB 4.41Å; L654-V702 HydrophobicContact CD1-CG1 3.95Å; L654-V702 HydrophobicContact CD1-CG2 4.48Å; L654-A705 HydrophobicContact CD1-CB 3.84Å; L654-L719 WeakPolarHBondContact CA-O 3.48Å; L654-A720 HydrophobicContact CD2-CB 3.72Å; L654-I722 HydrophobicContact CD2-CD1 3.92Å; L654-I722 HydrophobicContact CD2-CG1 3.86Å
655	E	98.3	Very high	94.5	Very high	88 Å²	88	36.3 Å²	36.3	41%	0.411	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.9	173.7	-63.4	-175.5	171.8	0	0	109.7	V657 S674 C717 S718 L719	E655-V657 VanDerWaalsContact C-N 3.29Å; E655-V657 PolarHBondContact O-N 2.98Å; E655-S674 WeakPolarHBondContact CA-OG 3.33Å; E655-C717 WeakPolarHBondContact O-CA 3.29Å; E655-C717 WeakPolarHBondContact O-CB 3.41Å; E655-S718 VanDerWaalsContact C-OG 3.3Å; E655-S718 VanDerWaalsContact CB-OG 3.26Å; E655-S718 WeakPolarHBondContact CB-OG 3.16Å; E655-S718 PolarHBondContact O-N 2.87Å; E655-S718 PolarHBondContact O-OG 3.42Å; E655-S718 VanDerWaalsContact O-OG 3.08Å; E655-L719 HydrophobicContact CB-CB 4.05Å; E655-L719 HydrophobicContact CG-CB 4.14Å; E655-L719 HydrophobicContact CG-CD2 4.42Å; E655-L719 PolarHBondContact N-O 3.31Å
656	D	97.3	Very high	93.8	Very high	76 Å²	76	42.9 Å²	42.9	41%	0.406	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	47.5	48.8	179.7	-55.3	-47.1	0	0	0	113	R658 A672 N673 S674 S718	D656-R658 PolarHBondContact O-N 3.5Å; D656-A672 HydrophobicContact CB-CB 3.71Å; D656-N673 CarbonylContact C-O 3.59Å; D656-S674 PolarHBondContact N-OG 3.1Å; D656-S674 VanDerWaalsContact N-OG 3.07Å; D656-S718 WeakPolarHBondContact CB-OG 3.29Å; D656-S718 PolarHBondContact OD2-OG 3.36Å
657	V	98	Very high	93.4	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	134.6	175.9	66.8	0	0	0	0	110.6	L654 E655 N673 V702 A705 P716	L654-V657 HydrophobicContact CB-CB 4.1Å; L654-V657 HydrophobicContact CD1-CB 4.39Å; L654-V657 HydrophobicContact CD1-CG2 4.2Å; E655-V657 VanDerWaalsContact C-N 3.29Å; E655-V657 PolarHBondContact O-N 2.98Å; V657-N673 WeakPolarHBondContact CG1-O 3.31Å; V657-N673 PolarHBondContact N-O 3.11Å; V657-N673 PolarHBondContact O-N 3.19Å; V657-V702 HydrophobicContact CG1-CG2 4.15Å; V657-A705 HydrophobicContact CG2-CB 3.98Å; V657-P716 WeakPolarHBondContact CA-O 3.45Å
658	R	96.8	Very high	93.4	Very high	22 Å²	22	46.2 Å²	46.2	8%	0.083	24%	0.238	C	C	.	.			trans	-119.4	152.8	178.7	-61.4	158.8	-73.3	144.3	-13.7	110.3	T637 D656 P660 E663 F670 A672 P716 C717	T637-R658 PolarHBondContact O-NH1 2.77Å; D656-R658 PolarHBondContact O-N 3.5Å; R658-P660 WeakPolarHBondContact O-CD 3.46Å; R658-E663 WeakPolarHBondContact CB-OE2 3.47Å; R658-E663 WeakPolarHBondContact CD-OE2 3.42Å; R658-E663 IonicContact CZ-OE2 2.74Å; R658-E663 IonicContact NE-OE2 2.68Å; R658-E663 IonicContact NH1-OE2 3.5Å; R658-E663 PolarHBondContact NH1-OE2 3.23Å; R658-F670 VanDerWaalsContact CA-CE1 3.5Å; R658-F670 HydrophobicContact CB-CD1 3.95Å; R658-F670 HydrophobicContact CB-CE1 4.06Å; R658-F670 HydrophobicContact CG-CD1 3.98Å; R658-F670 HydrophobicContact CG-CE1 4.32Å; R658-A672 HydrophobicContact CG-CB 3.76Å; R658-P716 HydrophobicContact CB-CB 4.24Å; R658-P716 PolarHBondContact N-O 3.07Å; R658-P716 PolarHBondContact NE-O 3.2Å; R658-P716 VanDerWaalsContact NH2-C 3.34Å; R658-P716 WeakPolarHBondContact O-CG 3.25Å; R658-C717 PolarHBondContact NH2-O 3.37Å
659	H	96.6	Very high	93.4	Very high	5 Å²	5	52.4 Å²	52.4	2%	0.023	27%	0.265	C	S	.	.			trans	-84.5	115.3	173.9	-164.7	-63.3	0	0	0	109.7	C661 L662 E663 F670 T697 S701	H659-C661 VanDerWaalsContact C-N 3.29Å; H659-C661 VanDerWaalsContact CE1-CB 3.5Å; H659-C661 WeakPolarHBondContact CE1-CB 3.44Å; H659-C661 WeakPolarHBondContact ND1-CB 3.42Å; H659-C661 PolarHBondContact ND1-N 3.18Å; H659-C661 PolarHBondContact O-N 2.87Å; H659-L662 HydrophobicContact CB-CB 4.08Å; H659-L662 HydrophobicContact CB-CD1 4.04Å; H659-L662 HydrophobicContact CB-CG 4.15Å; H659-L662 PolarHBondContact O-N 3.06Å; H659-E663 PolarHBondContact O-N 3.31Å; H659-F670 HydrophobicContact CB-CD2 4.31Å; H659-F670 HydrophobicContact CB-CE2 3.46Å; H659-F670 VanDerWaalsContact CB-CE2 3.46Å; H659-F670 HydrophobicContact CB-CZ 3.71Å; H659-F670 VanDerWaalsContact N-CZ 3.29Å; H659-T697 HydrophobicContact CB-CG2 4.49Å; H659-S701 WeakPolarHBondContact CB-OG 3.49Å
660	P	95.4	Very high	93.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-35.5	-170.7	24.7	-33.2	0	0	0	112.6	V352 Y639 R658 L664 T704 M708 P716	V352-P660 HydrophobicContact CG1-CB 4.19Å; Y639-P660 WeakPolarHBondContact OH-CB 3.37Å; R658-P660 WeakPolarHBondContact O-CD 3.46Å; P660-L664 WeakPolarHBondContact O-CD1 3.24Å; P660-L664 WeakPolarHBondContact O-CG 3.27Å; P660-T704 HydrophobicContact CG-CG2 3.47Å; P660-T704 VanDerWaalsContact CG-CG2 3.47Å; P660-M708 HydrophobicContact CB-SD 4.21Å; P660-M708 HydrophobicContact CG-SD 3.84Å; P660-P716 HydrophobicContact CB-CG 4.28Å; P660-P716 HydrophobicContact CG-CG 4.37Å
661	C	94.3	Very high	93.6	Very high	4 Å²	4	54.6 Å²	54.6	3%	0.027	27%	0.27	C	S	.	.	H	α-helix	trans	-70.7	-34.8	176	-58	0	0	0	0	114.2	W346 S348 H659	W346-C661 WeakPolarHBondContact O-CA 3.44Å; W346-C661 WeakPolarHBondContact O-CB 3.4Å; S348-C661 VanDerWaalsContact C-SG 3.52Å; H659-C661 VanDerWaalsContact C-N 3.29Å; H659-C661 VanDerWaalsContact CE1-CB 3.5Å; H659-C661 WeakPolarHBondContact CE1-CB 3.44Å; H659-C661 WeakPolarHBondContact ND1-CB 3.42Å; H659-C661 PolarHBondContact ND1-N 3.18Å; H659-C661 PolarHBondContact O-N 2.87Å
662	L	93.4	Very high	93.6	Very high	47 Å²	47	53 Å²	53	25%	0.246	27%	0.268	C	S	.	.	H	α-helix	trans	-86.9	-35.3	-173.1	-63.9	176.4	0	0	0	111.8	H659 L664 Q665 F670 T697	H659-L662 HydrophobicContact CB-CB 4.08Å; H659-L662 HydrophobicContact CB-CD1 4.04Å; H659-L662 HydrophobicContact CB-CG 4.15Å; H659-L662 PolarHBondContact O-N 3.06Å; L662-L664 PolarHBondContact O-N 3.29Å; L662-Q665 WeakPolarHBondContact O-CB 3.47Å; L662-Q665 PolarHBondContact O-N 2.78Å; L662-Q665 VanDerWaalsContact O-N 3.14Å; L662-F670 HydrophobicContact CB-CD2 3.95Å; L662-F670 HydrophobicContact CB-CE2 4.14Å; L662-F670 HydrophobicContact CD1-CE2 4.07Å; L662-T697 HydrophobicContact CD1-CG2 3.43Å; L662-T697 VanDerWaalsContact CD1-CG2 3.43Å
663	E	93.5	Very high	93.6	Very high	19 Å²	19	53.6 Å²	53.6	9%	0.089	27%	0.272	C	S	.	.	H	α-helix	trans	-64.5	-21.3	178.9	71.8	176.8	-177	0	0	113.1	P636 Y639 R658 H659 F670	P636-E663 HydrophobicContact CG-CG 4.37Å; Y639-E663 WeakPolarHBondContact CE1-OE1 3.41Å; Y639-E663 VanDerWaalsContact CZ-OE1 3.31Å; Y639-E663 PolarHBondContact OH-OE1 3.29Å; R658-E663 WeakPolarHBondContact CB-OE2 3.47Å; R658-E663 WeakPolarHBondContact CD-OE2 3.42Å; R658-E663 IonicContact CZ-OE2 2.74Å; R658-E663 IonicContact NE-OE2 2.68Å; R658-E663 IonicContact NH1-OE2 3.5Å; R658-E663 PolarHBondContact NH1-OE2 3.23Å; H659-E663 PolarHBondContact O-N 3.31Å; E663-F670 HydrophobicContact CB-CB 4.22Å
664	L	91.4	Very high	93.5	Very high	57 Å²	57	55.7 Å²	55.7	30%	0.298	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-7.1	178.1	-71.5	173.1	0	0	0	113.7	W346 V352 P636 P660 L662	W346-L664 HydrophobicContact CB-CB 3.8Å; V352-L664 HydrophobicContact CB-CD1 4.34Å; V352-L664 HydrophobicContact CG1-CD1 3.84Å; V352-L664 HydrophobicContact CG2-CD1 3.84Å; P636-L664 HydrophobicContact CG-CD2 4.28Å; P660-L664 WeakPolarHBondContact O-CD1 3.24Å; P660-L664 WeakPolarHBondContact O-CG 3.27Å; L662-L664 PolarHBondContact O-N 3.29Å
665	Q	89.7	Confident	93.5	Very high	56 Å²	56	55.9 Å²	55.9	26%	0.262	29%	0.288	S	S	.	.	S	Bend	trans	-73.8	137.4	178.9	-69.6	-176.1	11.9	0	0	111.1	W346 L662 H667 V668	W346-Q665 HydrophobicContact CD2-CG 3.78Å; W346-Q665 HydrophobicContact CE3-CG 3.53Å; W346-Q665 VanDerWaalsContact CE3-NE2 3.32Å; W346-Q665 HydrophobicContact CG-CG 4.24Å; W346-Q665 HydrophobicContact CZ3-CG 3.95Å; W346-Q665 VanDerWaalsContact CZ3-NE2 3.34Å; L662-Q665 WeakPolarHBondContact O-CB 3.47Å; L662-Q665 PolarHBondContact O-N 2.78Å; L662-Q665 VanDerWaalsContact O-N 3.14Å; Q665-H667 PolarHBondContact O-N 2.84Å; Q665-V668 HydrophobicContact CB-CB 4.09Å; Q665-V668 HydrophobicContact CB-CG2 3.67Å; Q665-V668 PolarHBondContact O-N 2.74Å
666	E	82.4	Confident	93.4	Very high	166 Å²	166	54.3 Å²	54.3	78%	0.776	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	137.3	172.1	-65.5	-178.6	179.5	0	0	109.9	V668	E666-V668 VanDerWaalsContact C-N 3.27Å; E666-V668 PolarHBondContact O-N 2.79Å
667	H	84.8	Confident	93.4	Very high	189 Å²	189	50.7 Å²	50.7	88%	0.875	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	13.4	179.8	-46.1	-66.4	0	0	0	116.4	Q665	Q665-H667 PolarHBondContact O-N 2.84Å
668	V	86.6	Confident	93.2	Very high	55 Å²	55	54 Å²	54	33%	0.333	28%	0.277	S	S	.	.			trans	-104.9	120	173.1	179	0	0	0	0	110.3	Q665 E666	Q665-V668 HydrophobicContact CB-CB 4.09Å; Q665-V668 HydrophobicContact CB-CG2 3.67Å; Q665-V668 PolarHBondContact O-N 2.74Å; E666-V668 VanDerWaalsContact C-N 3.27Å; E666-V668 PolarHBondContact O-N 2.79Å
669	N	87.8	Confident	93	Very high	158 Å²	158	58 Å²	58	85%	0.845	30%	0.295	S	S	*	.			trans	-96.2	111.3	167.3	-73.4	-21.1	0	0	0	108.7
670	F	93.7	Very high	92.5	Very high	50 Å²	50	64.8 Å²	64.8	22%	0.219	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-88.4	130	-178.1	-163.8	-81.8	0	0	0	111.4	R658 H659 L662 E663 T697	R658-F670 VanDerWaalsContact CA-CE1 3.5Å; R658-F670 HydrophobicContact CB-CD1 3.95Å; R658-F670 HydrophobicContact CB-CE1 4.06Å; R658-F670 HydrophobicContact CG-CD1 3.98Å; R658-F670 HydrophobicContact CG-CE1 4.32Å; H659-F670 HydrophobicContact CB-CD2 4.31Å; H659-F670 HydrophobicContact CB-CE2 3.46Å; H659-F670 VanDerWaalsContact CB-CE2 3.46Å; H659-F670 HydrophobicContact CB-CZ 3.71Å; H659-F670 VanDerWaalsContact N-CZ 3.29Å; L662-F670 HydrophobicContact CB-CD2 3.95Å; L662-F670 HydrophobicContact CB-CE2 4.14Å; L662-F670 HydrophobicContact CD1-CE2 4.07Å; E663-F670 HydrophobicContact CB-CB 4.22Å; F670-T697 HydrophobicContact CE2-CG2 3.72Å; F670-T697 HydrophobicContact CZ-CG2 4.02Å
671	I	94.8	Very high	92.4	Very high	68 Å²	68	70 Å²	70	35%	0.349	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-95.1	116.3	173.7	-55.5	-58.3	0	0	0	109.1	N673 Q836	I671-N673 PolarHBondContact O-ND2 2.93Å; I671-N673 VanDerWaalsContact O-ND2 3.14Å; I671-Q836 HydrophobicContact CG2-CG 3.85Å
672	A	96.3	Very high	92.5	Very high	32 Å²	32	69.9 Å²	69.9	26%	0.264	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-73.1	149.3	-179.9	0	0	0	0	0	111.8	D656 R658	D656-A672 HydrophobicContact CB-CB 3.71Å; R658-A672 HydrophobicContact CG-CB 3.76Å
673	N	97.4	Very high	92.6	Very high	16 Å²	16	68 Å²	68	9%	0.086	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	154.2	-178.8	-71.2	-76.6	0	0	0	110.5	D656 V657 I671 Y698 Y835 Q836 V837	D656-N673 CarbonylContact C-O 3.59Å; V657-N673 WeakPolarHBondContact CG1-O 3.31Å; V657-N673 PolarHBondContact N-O 3.11Å; V657-N673 PolarHBondContact O-N 3.19Å; I671-N673 PolarHBondContact O-ND2 2.93Å; I671-N673 VanDerWaalsContact O-ND2 3.14Å; N673-Y698 HydrophobicContact CB-CD2 3.8Å; N673-Y698 HydrophobicContact CB-CE2 3.79Å; N673-Y835 PolarHBondContact ND2-O 3.37Å; N673-Q836 WeakPolarHBondContact OD1-CA 3.47Å; N673-V837 HydrophobicContact CB-CB 4.37Å; N673-V837 HydrophobicContact CB-CG2 3.93Å; N673-V837 PolarHBondContact OD1-N 2.94Å
674	S	97.4	Very high	92.8	Very high	60 Å²	60	67 Å²	67	42%	0.42	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	151.3	-177.8	-55.7	0	0	0	0	112.4	L654 E655 D656 Y698	L654-S674 CarbonylContact O-C 3.56Å; L654-S674 WeakPolarHBondContact O-CA 3.26Å; L654-S674 WeakPolarHBondContact O-CB 3.47Å; E655-S674 WeakPolarHBondContact CA-OG 3.33Å; D656-S674 PolarHBondContact N-OG 3.1Å; D656-S674 VanDerWaalsContact N-OG 3.07Å; S674-Y698 PolarHBondContact O-OH 3.12Å; S674-Y698 VanDerWaalsContact O-OH 3.05Å
675	V	97.3	Very high	93.1	Very high	4 Å²	4	65.5 Å²	65.5	2%	0.024	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	137.1	171.2	70.3	0	0	0	0	109.7	V653 L654 F677 F685 Y698 V702 L799	V653-V675 WeakPolarHBondContact CA-O 3.43Å; L654-V675 HydrophobicContact CB-CG1 3.86Å; L654-V675 HydrophobicContact CD1-CG1 3.93Å; L654-V675 HydrophobicContact CG-CG1 3.88Å; L654-V675 PolarHBondContact N-O 2.99Å; L654-V675 PolarHBondContact O-N 3.15Å; V675-F677 HydrophobicContact CG2-CD2 3.75Å; V675-F677 HydrophobicContact CG2-CE2 3.49Å; V675-F677 VanDerWaalsContact CG2-CE2 3.49Å; V675-F677 HydrophobicContact CG2-CZ 4.31Å; V675-F685 HydrophobicContact CG2-CD2 3.95Å; V675-F685 HydrophobicContact CG2-CE2 3.69Å; V675-Y698 WeakPolarHBondContact CB-OH 3.48Å; V675-V702 HydrophobicContact CB-CG2 4.18Å; V675-V702 HydrophobicContact CG1-CG1 4.05Å; V675-V702 HydrophobicContact CG1-CG2 3.85Å; V675-L799 HydrophobicContact CG2-CD2 4.26Å
676	D	97.1	Very high	93.5	Very high	56 Å²	56	62.8 Å²	62.8	30%	0.299	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	93.8	-179.1	-176.3	5.3	0	0	0	110.4	V653 K678 F685	V653-D676 WeakPolarHBondContact CG2-OD1 3.31Å; D676-K678 WeakPolarHBondContact OD1-CD 3.37Å; D676-K678 WeakPolarHBondContact OD1-CE 3.47Å; D676-K678 WeakPolarHBondContact OD1-CG 3.43Å; D676-K678 IonicContact OD1-NZ 2.75Å; D676-K678 PolarHBondContact OD1-NZ 3.39Å; D676-K678 WeakPolarHBondContact OD2-CE 3.49Å; D676-K678 IonicContact OD2-NZ 3.83Å; D676-K678 PolarHBondContact OD2-NZ 3.11Å; D676-F685 VanDerWaalsContact O-CZ 3.3Å; D676-F685 WeakPolarHBondContact O-CZ 3.43Å
677	F	97.3	Very high	94.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.4	166.7	-65.5	-81.1	0	0	0	109.8	E651 L652 V675 C682 N683 F685 F797 T798 L799	E651-F677 WeakPolarHBondContact CA-O 3.4Å; L652-F677 HydrophobicContact CB-CB 4.12Å; L652-F677 HydrophobicContact CB-CD2 4.08Å; L652-F677 HydrophobicContact CD2-CD2 3.82Å; L652-F677 HydrophobicContact CD2-CE2 4.13Å; L652-F677 HydrophobicContact CG-CD2 4.08Å; L652-F677 PolarHBondContact N-O 2.94Å; L652-F677 PolarHBondContact O-N 3.33Å; V675-F677 HydrophobicContact CG2-CD2 3.75Å; V675-F677 HydrophobicContact CG2-CE2 3.49Å; V675-F677 VanDerWaalsContact CG2-CE2 3.49Å; V675-F677 HydrophobicContact CG2-CZ 4.31Å; F677-C682 WeakPolarHBondContact CD1-O 3.33Å; F677-N683 VanDerWaalsContact CE1-O 3.27Å; F677-N683 WeakPolarHBondContact CE1-O 3.49Å; F677-F685 HydrophobicContact CD1-CD2 4.05Å; F677-F685 AromaticContact CD1-CE2 3.84Å; F677-F685 HydrophobicContact CD1-CE2 3.84Å; F677-F685 HydrophobicContact CD2-CE2 4.23Å; F677-F685 AromaticContact CE1-CD2 3.43Å; F677-F685 HydrophobicContact CE1-CD2 3.43Å; F677-F685 VanDerWaalsContact CE1-CD2 3.43Å; F677-F685 AromaticContact CE1-CE2 3.72Å; F677-F685 HydrophobicContact CE1-CE2 3.72Å; F677-F685 HydrophobicContact CE1-CG 4.49Å; F677-F685 HydrophobicContact CE2-CD2 4.01Å; F677-F685 HydrophobicContact CE2-CE2 4.14Å; F677-F685 HydrophobicContact CG-CE2 4.12Å; F677-F685 AromaticContact CZ-CD2 3.44Å; F677-F685 HydrophobicContact CZ-CD2 3.44Å; F677-F685 VanDerWaalsContact CZ-CD2 3.44Å; F677-F685 AromaticContact CZ-CE2 3.91Å; F677-F685 HydrophobicContact CZ-CE2 3.91Å; F677-F797 HydrophobicContact CB-CD1 3.55Å; F677-F797 HydrophobicContact CB-CE1 3.66Å; F677-F797 HydrophobicContact CD1-CD1 4.05Å; F677-F797 HydrophobicContact CD2-CD1 4.16Å; F677-F797 HydrophobicContact CE2-CB 4.46Å; F677-F797 AromaticContact CG-CD1 3.68Å; F677-F797 HydrophobicContact CG-CD1 3.68Å; F677-F797 HydrophobicContact CG-CE1 4.31Å; F677-F797 HydrophobicContact CZ-CB 4.45Å; F677-T798 WeakPolarHBondContact CZ-O 3.31Å; F677-L799 HydrophobicContact CE2-CD2 3.99Å; F677-L799 HydrophobicContact CE2-CG 4.3Å; F677-L799 HydrophobicContact CZ-CD2 3.7Å; F677-L799 HydrophobicContact CZ-CG 4.03Å
678	K	94.1	Very high	94.5	Very high	69 Å²	69	46.3 Å²	46.3	30%	0.3	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-128.6	138.5	176	-81.3	166.4	-177.4	151.2	0	109.4	D676 E680 E681 C682	D676-K678 WeakPolarHBondContact OD1-CD 3.37Å; D676-K678 WeakPolarHBondContact OD1-CE 3.47Å; D676-K678 WeakPolarHBondContact OD1-CG 3.43Å; D676-K678 IonicContact OD1-NZ 2.75Å; D676-K678 PolarHBondContact OD1-NZ 3.39Å; D676-K678 WeakPolarHBondContact OD2-CE 3.49Å; D676-K678 IonicContact OD2-NZ 3.83Å; D676-K678 PolarHBondContact OD2-NZ 3.11Å; K678-E680 PolarHBondContact O-N 2.91Å; K678-E681 HydrophobicContact CB-CB 3.94Å; K678-E681 HydrophobicContact CB-CG 4.23Å; K678-E681 VanDerWaalsContact CD-OE2 3.31Å; K678-E681 WeakPolarHBondContact CD-OE2 3.19Å; K678-E681 PolarHBondContact O-N 3.44Å; K678-E681 VanDerWaalsContact O-N 3.1Å; K678-C682 PolarHBondContact N-O 3.1Å; K678-C682 PolarHBondContact O-N 2.9Å; K678-C682 VanDerWaalsContact O-O 3.1Å
679	K	90.9	Very high	94.5	Very high	107 Å²	107	44.5 Å²	44.5	47%	0.465	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	132.1	178.1	-175.9	179.8	173.9	-173.6	0	109.9	R650 E681	R650-K679 HydrophobicContact CB-CB 3.97Å; R650-K679 HydrophobicContact CB-CD 4.45Å; R650-K679 HydrophobicContact CB-CG 4.13Å; R650-K679 PolarHBondContact O-N 3.24Å; K679-E681 PolarHBondContact O-N 3.24Å
680	E	86.9	Confident	94.2	Very high	148 Å²	148	37.6 Å²	37.6	69%	0.692	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	-9.4	179.6	-66.9	163.3	-153.4	0	0	116	K678	K678-E680 PolarHBondContact O-N 2.91Å
681	E	94.2	Very high	93.6	Very high	108 Å²	108	40 Å²	40	51%	0.505	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-43.3	175.2	-65	-175.8	-168.3	0	0	113.1	K678 K679	K678-E681 HydrophobicContact CB-CB 3.94Å; K678-E681 HydrophobicContact CB-CG 4.23Å; K678-E681 VanDerWaalsContact CD-OE2 3.31Å; K678-E681 WeakPolarHBondContact CD-OE2 3.19Å; K678-E681 PolarHBondContact O-N 3.44Å; K678-E681 VanDerWaalsContact O-N 3.1Å; K679-E681 PolarHBondContact O-N 3.24Å
682	C	95.4	Very high	92.9	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.014	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-154.8	119.2	-177.9	-172	0	0	0	0	110.7	F677 K678 F685 T816 K818	F677-C682 WeakPolarHBondContact CD1-O 3.33Å; K678-C682 PolarHBondContact N-O 3.1Å; K678-C682 PolarHBondContact O-N 2.9Å; K678-C682 VanDerWaalsContact O-O 3.1Å; C682-F685 WeakPolarHBondContact SG-CZ 3.34Å; C682-T816 VanDerWaalsContact CA-O 3.31Å; C682-T816 WeakPolarHBondContact CA-O 3.27Å; C682-K818 HydrophobicContact CB-CD 3.95Å; C682-K818 HydrophobicContact CB-CG 4.41Å
683	N	96.1	Very high	92.2	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.037	22%	0.221	C	C	.	.	S	Bend	trans	-119.4	-13.2	172.3	66.1	-5.7	0	0	0	112.9	F677 A791 K795 F797 T798 T816	F677-N683 VanDerWaalsContact CE1-O 3.27Å; F677-N683 WeakPolarHBondContact CE1-O 3.49Å; N683-A791 PolarHBondContact ND2-O 2.86Å; N683-K795 WeakPolarHBondContact ND2-CA 3.45Å; N683-F797 CarbonylContact O-C 3.57Å; N683-F797 WeakPolarHBondContact O-CA 3.3Å; N683-T798 PolarHBondContact O-N 2.99Å; N683-T816 PolarHBondContact N-O 2.9Å; N683-T816 VanDerWaalsContact OD1-CB 3.25Å; N683-T816 WeakPolarHBondContact OD1-CB 3.36Å; N683-T816 PolarHBondContact OD1-O 2.99Å; N683-T816 VanDerWaalsContact OD1-O 3.07Å; N683-T816 PolarHBondContact OD1-OG1 2.9Å
684	M	97.9	Very high	91.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	132.1	178.5	179.7	174.5	-72.5	0	0	111.6	I686 A787 L790 A791 T798 L810 T816 V817 K818	M684-I686 HydrophobicContact CG-CG1 4.44Å; M684-I686 HydrophobicContact SD-CG1 4.36Å; M684-A787 HydrophobicContact CE-CB 4.31Å; M684-A787 WeakPolarHBondContact CE-O 3.2Å; M684-A787 HydrophobicContact SD-CB 4.11Å; M684-L790 HydrophobicContact CE-CB 3.84Å; M684-A791 HydrophobicContact CB-CB 4.41Å; M684-A791 HydrophobicContact CE-CB 3.81Å; M684-A791 HydrophobicContact SD-CB 4.05Å; M684-T798 CarbonylContact C-O 3.58Å; M684-T798 WeakPolarHBondContact CA-O 3.43Å; M684-T798 HydrophobicContact CE-CG2 3.49Å; M684-T798 VanDerWaalsContact CE-CG2 3.49Å; M684-T798 HydrophobicContact CG-CG2 4.24Å; M684-L810 HydrophobicContact SD-CD2 4.38Å; M684-T816 PolarHBondContact N-O 2.89Å; M684-V817 HydrophobicContact CB-CG1 4.37Å; M684-V817 HydrophobicContact CB-CG2 4.13Å; M684-V817 HydrophobicContact CG-CG1 4.25Å; M684-V817 WeakPolarHBondContact O-CA 3.42Å; M684-V817 HydrophobicContact SD-CG1 4.3Å; M684-V817 HydrophobicContact SD-CG2 4.35Å; M684-K818 PolarHBondContact O-N 2.92Å
685	F	97.8	Very high	91.6	Very high	24 Å²	24	40.6 Å²	40.6	11%	0.105	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.3	163.8	-70.5	-75.8	0	0	0	110.3	V675 D676 F677 C682 I687 T798 L799 F800 K818	V675-F685 HydrophobicContact CG2-CD2 3.95Å; V675-F685 HydrophobicContact CG2-CE2 3.69Å; D676-F685 VanDerWaalsContact O-CZ 3.3Å; D676-F685 WeakPolarHBondContact O-CZ 3.43Å; F677-F685 HydrophobicContact CD1-CD2 4.05Å; F677-F685 AromaticContact CD1-CE2 3.84Å; F677-F685 HydrophobicContact CD1-CE2 3.84Å; F677-F685 HydrophobicContact CD2-CE2 4.23Å; F677-F685 AromaticContact CE1-CD2 3.43Å; F677-F685 HydrophobicContact CE1-CD2 3.43Å; F677-F685 VanDerWaalsContact CE1-CD2 3.43Å; F677-F685 AromaticContact CE1-CE2 3.72Å; F677-F685 HydrophobicContact CE1-CE2 3.72Å; F677-F685 HydrophobicContact CE1-CG 4.49Å; F677-F685 HydrophobicContact CE2-CD2 4.01Å; F677-F685 HydrophobicContact CE2-CE2 4.14Å; F677-F685 HydrophobicContact CG-CE2 4.12Å; F677-F685 AromaticContact CZ-CD2 3.44Å; F677-F685 HydrophobicContact CZ-CD2 3.44Å; F677-F685 VanDerWaalsContact CZ-CD2 3.44Å; F677-F685 AromaticContact CZ-CE2 3.91Å; F677-F685 HydrophobicContact CZ-CE2 3.91Å; C682-F685 WeakPolarHBondContact SG-CZ 3.34Å; F685-I687 HydrophobicContact CB-CG1 4.35Å; F685-T798 PolarHBondContact N-O 3.45Å; F685-L799 HydrophobicContact CB-CD2 4.16Å; F685-L799 HydrophobicContact CD2-CD2 4.14Å; F685-F800 PolarHBondContact O-N 3.12Å; F685-K818 CarbonylContact C-O 3.49Å; F685-K818 VanDerWaalsContact CA-O 3.31Å; F685-K818 WeakPolarHBondContact CA-O 3.05Å; F685-K818 HydrophobicContact CD1-CB 3.79Å; F685-K818 HydrophobicContact CE1-CB 3.78Å; F685-K818 HydrophobicContact CE1-CD 4.12Å
686	I	97	Very high	91.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	120.2	166.6	-63.1	166.3	0	0	0	107.3	M684 F800 T802 I807 T808 L810 V817 K818 N819 C820	M684-I686 HydrophobicContact CG-CG1 4.44Å; M684-I686 HydrophobicContact SD-CG1 4.36Å; I686-F800 WeakPolarHBondContact CA-O 3.4Å; I686-T802 HydrophobicContact CG2-CG2 4.01Å; I686-I807 HydrophobicContact CD1-CG2 3.98Å; I686-I807 WeakPolarHBondContact CD1-O 3.48Å; I686-I807 HydrophobicContact CG1-CG2 4.47Å; I686-I807 HydrophobicContact CG2-CG2 4.47Å; I686-T808 HydrophobicContact CG2-CG2 4.17Å; I686-L810 HydrophobicContact CD1-CB 4.02Å; I686-L810 HydrophobicContact CD1-CD2 4.37Å; I686-V817 HydrophobicContact CD1-CG1 3.42Å; I686-V817 VanDerWaalsContact CD1-CG1 3.42Å; I686-V817 HydrophobicContact CG1-CG1 3.87Å; I686-K818 PolarHBondContact N-O 2.97Å; I686-N819 WeakPolarHBondContact CB-OD1 3.3Å; I686-C820 PolarHBondContact O-N 2.99Å; I686-C820 VanDerWaalsContact O-O 3.09Å; I686-C820 PolarHBondContact O-SG 3.01Å; I686-C820 VanDerWaalsContact O-SG 3.4Å
687	I	95.5	Very high	91.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	111.2	-173.4	-55.4	147.5	0	0	0	108.8	F685 K695 Y698 I699 L799 F800 A801 T802 C820	F685-I687 HydrophobicContact CB-CG1 4.35Å; I687-K695 HydrophobicContact CG2-CB 4.44Å; I687-K695 HydrophobicContact CG2-CG 4.17Å; I687-Y698 HydrophobicContact CD1-CD1 4Å; I687-Y698 HydrophobicContact CD1-CE1 3.99Å; I687-Y698 HydrophobicContact CG1-CE1 4.39Å; I687-I699 HydrophobicContact CD1-CG2 3.34Å; I687-L799 HydrophobicContact CD1-CB 4.17Å; I687-L799 HydrophobicContact CD1-CD2 4.16Å; I687-F800 PolarHBondContact N-O 3.3Å; I687-A801 HydrophobicContact CB-CB 4.38Å; I687-A801 WeakPolarHBondContact O-CA 3.45Å; I687-T802 PolarHBondContact O-N 3.32Å; I687-C820 WeakPolarHBondContact CA-O 3.44Å; I687-C820 WeakPolarHBondContact CG1-SG 3.44Å
688	T	92.4	Very high	91.1	Very high	9 Å²	9	42.1 Å²	42.1	6%	0.055	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	168	173.2	58	0	0	0	0	110.7	T802 T808 C820 H821 M822	T688-T802 HydrophobicContact CG2-CG2 4.23Å; T688-T808 HydrophobicContact CG2-CG2 3.62Å; T688-C820 PolarHBondContact N-O 3.47Å; T688-C820 PolarHBondContact OG1-O 3.23Å; T688-H821 CarbonylContact O-C 3.48Å; T688-H821 WeakPolarHBondContact O-CA 3.35Å; T688-H821 WeakPolarHBondContact OG1-CB 3.29Å; T688-M822 PolarHBondContact O-N 3.42Å
689	G	86.8	Confident	91.2	Very high	16 Å²	16	38.8 Å²	38.8	17%	0.165	20%	0.201	C	C	.	.			trans	161.7	149.4	-169.5	0	0	0	0	0	112.8	K695	G689-K695 PolarHBondContact O-NZ 2.97Å
690	P	81.8	Confident	91.4	Very high	14 Å²	14	36.5 Å²	36.5	9%	0.091	19%	0.189	C	C	.	.			trans	-59.2	158.7	167.5	31.4	-37.5	0	0	0	110.4	G693 K695 A824 F831 L833	P690-G693 PolarHBondContact O-N 2.96Å; P690-K695 PolarHBondContact O-NZ 3.49Å; P690-A824 HydrophobicContact CG-CB 4.09Å; P690-F831 HydrophobicContact CB-CE1 4.48Å; P690-F831 HydrophobicContact CB-CZ 3.84Å; P690-F831 HydrophobicContact CG-CZ 3.93Å; P690-L833 HydrophobicContact CB-CD2 4.41Å; P690-L833 HydrophobicContact CG-CD2 3.57Å
691	N	80.4	Confident	91.8	Very high	101 Å²	101	29.5 Å²	29.5	54%	0.54	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	149.9	168.4	-70.9	-13.8	0	0	0	109.4	G693	N691-G693 PolarHBondContact O-N 3.2Å
692	M	81.1	Confident	92	Very high	168 Å²	168	24.4 Å²	24.4	83%	0.828	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	-4.3	-171.3	-54.9	178.2	168.8	0	0	115.7	G694 L833 Y835	M692-G694 PolarHBondContact O-N 3.3Å; M692-L833 HydrophobicContact CB-CD1 3.97Å; M692-L833 WeakPolarHBondContact O-CD1 3.4Å; M692-Y835 WeakPolarHBondContact O-CE1 3.38Å
693	G	81.9	Confident	92.1	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.01	13%	0.132	C	C	.	.	S	Bend	trans	-67.3	-0.4	180	0	0	0	0	0	116	P690 N691 M822	P690-G693 PolarHBondContact O-N 2.96Å; N691-G693 PolarHBondContact O-N 3.2Å; G693-M822 WeakPolarHBondContact O-CB 3.41Å; G693-M822 WeakPolarHBondContact O-CE 3.37Å; G693-M822 WeakPolarHBondContact O-CG 3.46Å
694	G	89	Confident	92.1	Very high	11 Å²	11	24 Å²	24	11%	0.113	13%	0.131	C	C	.	.	S	Bend	trans	97.6	9	175.3	0	0	0	0	0	116	M692 S696 T697 Y698	M692-G694 PolarHBondContact O-N 3.3Å; G694-S696 PolarHBondContact O-N 3.39Å; G694-T697 WeakPolarHBondContact O-CB 3.15Å; G694-T697 PolarHBondContact O-N 2.75Å; G694-T697 VanDerWaalsContact O-N 3.15Å; G694-Y698 PolarHBondContact O-N 2.88Å
695	K	92.2	Very high	92.1	Very high	7 Å²	7	24 Å²	24	3%	0.03	13%	0.131	C	C	.	.	H	α-helix	trans	-50.7	-57.8	178.7	-61.5	-171.3	-62.8	-80.5	0	112.5	I687 G689 P690 T697 Y698 I699 E769 A801 M822	I687-K695 HydrophobicContact CG2-CB 4.44Å; I687-K695 HydrophobicContact CG2-CG 4.17Å; G689-K695 PolarHBondContact O-NZ 2.97Å; P690-K695 PolarHBondContact O-NZ 3.49Å; K695-T697 VanDerWaalsContact C-N 3.27Å; K695-T697 PolarHBondContact O-N 3.02Å; K695-Y698 PolarHBondContact O-N 3.44Å; K695-I699 PolarHBondContact O-N 2.91Å; K695-I699 VanDerWaalsContact O-N 3.17Å; K695-E769 IonicContact NZ-OE1 3.65Å; K695-A801 HydrophobicContact CB-CB 4.19Å; K695-M822 HydrophobicContact CB-CG 4.43Å; K695-M822 HydrophobicContact CG-CG 3.59Å
696	S	92	Very high	92.1	Very high	34 Å²	34	22.8 Å²	22.8	24%	0.238	13%	0.126	C	C	.	.	H	α-helix	trans	-62.2	-35.4	179.7	-45.3	0	0	0	0	112.4	G694 I699 R700 D768	G694-S696 PolarHBondContact O-N 3.39Å; S696-I699 WeakPolarHBondContact O-CG1 3.12Å; S696-R700 WeakPolarHBondContact O-CB 3.45Å; S696-R700 VanDerWaalsContact O-CD 3.3Å; S696-R700 WeakPolarHBondContact O-CD 3.43Å; S696-R700 WeakPolarHBondContact O-CG 3.43Å; S696-R700 PolarHBondContact O-N 2.99Å; S696-D768 WeakPolarHBondContact CB-OD2 3.48Å; S696-D768 PolarHBondContact OG-OD1 3.24Å; S696-D768 PolarHBondContact OG-OD2 3Å
697	T	93.8	Very high	92.2	Very high	48 Å²	48	22.8 Å²	22.8	29%	0.294	13%	0.126	S	C	.	.	H	α-helix	trans	-66.6	-44	177.2	-57.6	0	0	0	0	111.3	H659 L662 F670 G694 K695 R700 S701	H659-T697 HydrophobicContact CB-CG2 4.49Å; L662-T697 HydrophobicContact CD1-CG2 3.43Å; L662-T697 VanDerWaalsContact CD1-CG2 3.43Å; F670-T697 HydrophobicContact CE2-CG2 3.72Å; F670-T697 HydrophobicContact CZ-CG2 4.02Å; G694-T697 WeakPolarHBondContact O-CB 3.15Å; G694-T697 PolarHBondContact O-N 2.75Å; G694-T697 VanDerWaalsContact O-N 3.15Å; K695-T697 VanDerWaalsContact C-N 3.27Å; K695-T697 PolarHBondContact O-N 3.02Å; T697-R700 PolarHBondContact O-N 3.35Å; T697-S701 WeakPolarHBondContact O-CB 3.27Å; T697-S701 PolarHBondContact O-N 3.32Å; T697-S701 PolarHBondContact O-OG 3.13Å
698	Y	95.8	Very high	92.3	Very high	10 Å²	10	22.8 Å²	22.8	4%	0.039	13%	0.126	C	C	.	.	H	α-helix	trans	-61.3	-52	179.4	171.2	-118.3	0	0	0	111.5	N673 S674 V675 I687 G694 K695 R700 S701 V702 L799 V837	N673-Y698 HydrophobicContact CB-CD2 3.8Å; N673-Y698 HydrophobicContact CB-CE2 3.79Å; S674-Y698 PolarHBondContact O-OH 3.12Å; S674-Y698 VanDerWaalsContact O-OH 3.05Å; V675-Y698 WeakPolarHBondContact CB-OH 3.48Å; I687-Y698 HydrophobicContact CD1-CD1 4Å; I687-Y698 HydrophobicContact CD1-CE1 3.99Å; I687-Y698 HydrophobicContact CG1-CE1 4.39Å; G694-Y698 PolarHBondContact O-N 2.88Å; K695-Y698 PolarHBondContact O-N 3.44Å; Y698-R700 VanDerWaalsContact C-N 3.32Å; Y698-R700 PolarHBondContact O-N 2.94Å; Y698-S701 WeakPolarHBondContact O-CB 3.5Å; Y698-S701 PolarHBondContact O-N 3.3Å; Y698-V702 HydrophobicContact CE2-CG2 4.23Å; Y698-V702 PolarHBondContact O-N 3.45Å; Y698-L799 HydrophobicContact CE1-CD2 4.49Å; Y698-V837 HydrophobicContact CD1-CG2 3.89Å; Y698-V837 HydrophobicContact CD2-CG2 3.8Å; Y698-V837 HydrophobicContact CE1-CG1 4.43Å; Y698-V837 HydrophobicContact CE1-CG2 3.99Å; Y698-V837 HydrophobicContact CE2-CG2 3.91Å; Y698-V837 HydrophobicContact CG-CG2 3.79Å
699	I	95.6	Very high	92.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.9	-37.4	-178.4	66.9	-172.6	0	0	0	112.6	I687 K695 S696 S701 V702 G703 I766 D768 L799 A801	I687-I699 HydrophobicContact CD1-CG2 3.34Å; K695-I699 PolarHBondContact O-N 2.91Å; K695-I699 VanDerWaalsContact O-N 3.17Å; S696-I699 WeakPolarHBondContact O-CG1 3.12Å; I699-S701 VanDerWaalsContact C-N 3.33Å; I699-V702 PolarHBondContact O-N 3.12Å; I699-G703 PolarHBondContact O-N 2.98Å; I699-G703 VanDerWaalsContact O-N 3.14Å; I699-I766 HydrophobicContact CB-CG2 3.79Å; I699-I766 HydrophobicContact CD1-CG2 3.62Å; I699-I766 HydrophobicContact CG1-CG2 3.65Å; I699-D768 HydrophobicContact CD1-CB 3.76Å; I699-L799 HydrophobicContact CB-CB 4.17Å; I699-L799 HydrophobicContact CB-CD1 4.19Å; I699-L799 HydrophobicContact CG2-CB 3.78Å; I699-L799 HydrophobicContact CG2-CD1 4.33Å; I699-A801 HydrophobicContact CD1-CB 4.03Å; I699-A801 HydrophobicContact CG2-CB 4.46Å
700	R	95.2	Very high	93.1	Very high	58 Å²	58	21.6 Å²	21.6	22%	0.219	12%	0.115	C	C	.	.	H	α-helix	trans	-67.7	-33.3	174.5	-69.5	170.7	-162.9	-154.3	10	112.2	A328 L329 S696 T697 Y698 G703 T704 V732	A328-R700 VanDerWaalsContact O-CD 3.28Å; A328-R700 WeakPolarHBondContact O-CD 3.15Å; L329-R700 HydrophobicContact CD2-CB 4.5Å; S696-R700 WeakPolarHBondContact O-CB 3.45Å; S696-R700 VanDerWaalsContact O-CD 3.3Å; S696-R700 WeakPolarHBondContact O-CD 3.43Å; S696-R700 WeakPolarHBondContact O-CG 3.43Å; S696-R700 PolarHBondContact O-N 2.99Å; T697-R700 PolarHBondContact O-N 3.35Å; Y698-R700 VanDerWaalsContact C-N 3.32Å; Y698-R700 PolarHBondContact O-N 2.94Å; R700-G703 PolarHBondContact O-N 3.23Å; R700-T704 VanDerWaalsContact O-CB 3.29Å; R700-T704 WeakPolarHBondContact O-CB 3.48Å; R700-T704 PolarHBondContact O-N 3.32Å; R700-T704 PolarHBondContact O-OG1 3.47Å; R700-V732 VanDerWaalsContact CZ-CG1 3.45Å
701	S	96.4	Very high	93.8	Very high	2 Å²	2	21 Å²	21	1%	0.014	11%	0.111	C	C	.	.	H	α-helix	trans	-62.8	-45.3	177.2	-55.8	0	0	0	0	110.9	H659 T697 Y698 I699 T704 A705	H659-S701 WeakPolarHBondContact CB-OG 3.49Å; T697-S701 WeakPolarHBondContact O-CB 3.27Å; T697-S701 PolarHBondContact O-N 3.32Å; T697-S701 PolarHBondContact O-OG 3.13Å; Y698-S701 WeakPolarHBondContact O-CB 3.5Å; Y698-S701 PolarHBondContact O-N 3.3Å; I699-S701 VanDerWaalsContact C-N 3.33Å; S701-T704 PolarHBondContact O-N 3.31Å; S701-A705 WeakPolarHBondContact O-CB 3.39Å; S701-A705 PolarHBondContact O-N 3.05Å
702	V	97.9	Very high	94.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.8	-50.6	175.6	178.3	0	0	0	0	111	L652 L654 V657 V675 Y698 I699 T704 A705 V706 L799	L652-V702 HydrophobicContact CD2-CG1 4.14Å; L654-V702 HydrophobicContact CD1-CB 4.41Å; L654-V702 HydrophobicContact CD1-CG1 3.95Å; L654-V702 HydrophobicContact CD1-CG2 4.48Å; V657-V702 HydrophobicContact CG1-CG2 4.15Å; V675-V702 HydrophobicContact CB-CG2 4.18Å; V675-V702 HydrophobicContact CG1-CG1 4.05Å; V675-V702 HydrophobicContact CG1-CG2 3.85Å; Y698-V702 HydrophobicContact CE2-CG2 4.23Å; Y698-V702 PolarHBondContact O-N 3.45Å; I699-V702 PolarHBondContact O-N 3.12Å; V702-T704 VanDerWaalsContact C-N 3.29Å; V702-T704 PolarHBondContact O-N 3.05Å; V702-A705 PolarHBondContact O-N 3.47Å; V702-V706 WeakPolarHBondContact O-CG2 3.29Å; V702-V706 PolarHBondContact O-N 3.29Å; V702-L799 HydrophobicContact CB-CD1 3.66Å; V702-L799 HydrophobicContact CG1-CD1 3.77Å; V702-L799 HydrophobicContact CG2-CD1 4Å
703	G	96.8	Very high	95.5	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-58.7	-39.8	178.5	0	0	0	0	0	113.3	I699 R700 V706 L707	I699-G703 PolarHBondContact O-N 2.98Å; I699-G703 VanDerWaalsContact O-N 3.14Å; R700-G703 PolarHBondContact O-N 3.23Å; G703-V706 PolarHBondContact O-N 3.47Å; G703-L707 WeakPolarHBondContact O-CB 3.29Å; G703-L707 PolarHBondContact O-N 3.25Å
704	T	97.1	Very high	96.3	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-69.2	-39.8	178.5	-55.3	0	0	0	0	111.9	V349 P660 R700 S701 V702 L707 M708	V349-T704 HydrophobicContact CG2-CG2 3.58Å; P660-T704 HydrophobicContact CG-CG2 3.47Å; P660-T704 VanDerWaalsContact CG-CG2 3.47Å; R700-T704 VanDerWaalsContact O-CB 3.29Å; R700-T704 WeakPolarHBondContact O-CB 3.48Å; R700-T704 PolarHBondContact O-N 3.32Å; R700-T704 PolarHBondContact O-OG1 3.47Å; S701-T704 PolarHBondContact O-N 3.31Å; V702-T704 VanDerWaalsContact C-N 3.29Å; V702-T704 PolarHBondContact O-N 3.05Å; T704-L707 WeakPolarHBondContact O-CB 3.27Å; T704-L707 PolarHBondContact O-N 2.99Å; T704-M708 HydrophobicContact CG2-CG 4.4Å; T704-M708 HydrophobicContact CG2-SD 4.14Å; T704-M708 WeakPolarHBondContact O-CB 3.24Å; T704-M708 VanDerWaalsContact O-CG 3.28Å; T704-M708 WeakPolarHBondContact O-CG 3.46Å; T704-M708 PolarHBondContact O-N 3.01Å
705	A	98	Very high	96.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-62.7	-43.1	175.8	0	0	0	0	0	111.7	L654 V657 S701 V702 M708 A709 V715	L654-A705 HydrophobicContact CD1-CB 3.84Å; V657-A705 HydrophobicContact CG2-CB 3.98Å; S701-A705 WeakPolarHBondContact O-CB 3.39Å; S701-A705 PolarHBondContact O-N 3.05Å; V702-A705 PolarHBondContact O-N 3.47Å; A705-M708 PolarHBondContact O-N 3.45Å; A705-A709 PolarHBondContact O-N 3.27Å; A705-V715 HydrophobicContact CB-CB 4.45Å; A705-V715 VanDerWaalsContact O-CG1 3.24Å; A705-V715 WeakPolarHBondContact O-CG1 3.41Å
706	V	98.1	Very high	97	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-63.3	-44.5	175.4	175.4	0	0	0	0	111.1	L652 V702 G703 M708 A709 H710 I722 V725 I728 L764	L652-V706 HydrophobicContact CD1-CG2 3.74Å; L652-V706 HydrophobicContact CD2-CG2 4.07Å; V702-V706 WeakPolarHBondContact O-CG2 3.29Å; V702-V706 PolarHBondContact O-N 3.29Å; G703-V706 PolarHBondContact O-N 3.47Å; V706-M708 PolarHBondContact O-N 2.87Å; V706-A709 PolarHBondContact O-N 2.98Å; V706-H710 PolarHBondContact O-CD2 3.06Å; V706-H710 PolarHBondContact O-N 3.07Å; V706-I722 HydrophobicContact CG1-CG2 4.37Å; V706-I722 HydrophobicContact CG2-CG2 4.41Å; V706-V725 HydrophobicContact CG1-CG1 4.23Å; V706-V725 HydrophobicContact CG1-CG2 3.87Å; V706-I728 HydrophobicContact CG1-CD1 4.1Å; V706-L764 HydrophobicContact CB-CD2 4.06Å; V706-L764 HydrophobicContact CG1-CD2 4.25Å; V706-L764 HydrophobicContact CG2-CD2 3.99Å
707	L	97.8	Very high	97.2	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-56.8	-50.3	174.6	178.4	74.5	0	0	0	111.8	L321 L329 I331 V349 P372 G703 T704 A709 H710 I711 I728	L321-L707 HydrophobicContact CD1-CD1 4.16Å; L321-L707 HydrophobicContact CD2-CD1 4.42Å; L329-L707 HydrophobicContact CD1-CD2 4.36Å; I331-L707 HydrophobicContact CB-CD2 4.49Å; I331-L707 HydrophobicContact CD1-CD1 4.06Å; I331-L707 HydrophobicContact CD1-CD2 3.55Å; I331-L707 HydrophobicContact CD1-CG 4.47Å; I331-L707 HydrophobicContact CG1-CD2 3.58Å; I331-L707 HydrophobicContact CG2-CD2 4.32Å; V349-L707 HydrophobicContact CG1-CD2 4.42Å; V349-L707 HydrophobicContact CG2-CD2 4.43Å; P372-L707 HydrophobicContact CB-CD1 4.17Å; P372-L707 HydrophobicContact CG-CD1 3.38Å; G703-L707 WeakPolarHBondContact O-CB 3.29Å; G703-L707 PolarHBondContact O-N 3.25Å; T704-L707 WeakPolarHBondContact O-CB 3.27Å; T704-L707 PolarHBondContact O-N 2.99Å; L707-A709 VanDerWaalsContact C-N 3.32Å; L707-A709 PolarHBondContact O-N 3.36Å; L707-H710 CarbonylContact O-C 3.49Å; L707-H710 PolarHBondContact O-N 3.06Å; L707-H710 VanDerWaalsContact O-N 3.13Å; L707-I711 HydrophobicContact CD1-CD1 4.19Å; L707-I711 HydrophobicContact CD2-CD1 4.35Å; L707-I711 HydrophobicContact CG-CD1 3.77Å; L707-I711 WeakPolarHBondContact O-CD1 3.47Å; L707-I711 VanDerWaalsContact O-CG1 3.27Å; L707-I711 WeakPolarHBondContact O-CG1 3.18Å; L707-I711 PolarHBondContact O-N 3.4Å; L707-I728 HydrophobicContact CB-CD1 4.11Å; L707-I728 HydrophobicContact CD1-CD1 4.41Å
708	M	98.4	Very high	97.4	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-58.6	-42.3	179.4	-74	172.5	76.7	0	0	112	V349 L353 Y639 P660 T704 A705 V706 H710 I711 G712 A713 F714 V715 P716	V349-M708 HydrophobicContact CG1-CG 4.21Å; L353-M708 HydrophobicContact CD1-CG 4.45Å; L353-M708 HydrophobicContact CD2-CE 3.85Å; Y639-M708 HydrophobicContact CD2-CE 3.92Å; Y639-M708 HydrophobicContact CE2-CE 3.67Å; P660-M708 HydrophobicContact CB-SD 4.21Å; P660-M708 HydrophobicContact CG-SD 3.84Å; T704-M708 HydrophobicContact CG2-CG 4.4Å; T704-M708 HydrophobicContact CG2-SD 4.14Å; T704-M708 WeakPolarHBondContact O-CB 3.24Å; T704-M708 VanDerWaalsContact O-CG 3.28Å; T704-M708 WeakPolarHBondContact O-CG 3.46Å; T704-M708 PolarHBondContact O-N 3.01Å; A705-M708 PolarHBondContact O-N 3.45Å; V706-M708 PolarHBondContact O-N 2.87Å; M708-H710 PolarHBondContact O-N 3.29Å; M708-I711 PolarHBondContact O-N 3.39Å; M708-I711 VanDerWaalsContact O-N 3.14Å; M708-G712 PolarHBondContact O-N 3.11Å; M708-A713 HydrophobicContact CB-CB 4.45Å; M708-A713 PolarHBondContact O-N 3.28Å; M708-F714 VanDerWaalsContact CE-O 3.22Å; M708-F714 WeakPolarHBondContact CE-O 3.48Å; M708-V715 HydrophobicContact CB-CG1 4.15Å; M708-P716 HydrophobicContact SD-CG 4.37Å
709	A	98.2	Very high	97.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.3	-41.8	175.5	0	0	0	0	0	112.2	P642 M644 A705 V706 L707 I711 G712 V715 I722	P642-A709 HydrophobicContact CB-CB 4.06Å; P642-A709 HydrophobicContact CG-CB 3.87Å; M644-A709 HydrophobicContact CE-CB 4.38Å; M644-A709 HydrophobicContact SD-CB 3.87Å; A705-A709 PolarHBondContact O-N 3.27Å; V706-A709 PolarHBondContact O-N 2.98Å; L707-A709 VanDerWaalsContact C-N 3.32Å; L707-A709 PolarHBondContact O-N 3.36Å; A709-I711 PolarHBondContact O-N 3.16Å; A709-G712 PolarHBondContact O-N 3.17Å; A709-G712 VanDerWaalsContact O-N 3.11Å; A709-V715 HydrophobicContact CB-CG1 3.9Å; A709-I722 HydrophobicContact CB-CD1 3.46Å; A709-I722 VanDerWaalsContact CB-CD1 3.46Å
710	H	98.1	Very high	97.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-73.3	-12.3	175.4	-85	-88.6	0	0	0	114.1	V319 P372 L373 L379 V706 L707 M708 M724 V725	V319-H710 HydrophobicContact CG2-CB 4.03Å; V319-H710 VanDerWaalsContact CG2-ND1 3.32Å; V319-H710 WeakPolarHBondContact CG2-ND1 3.41Å; P372-H710 CarbonylContact C-O 3.3Å; P372-H710 WeakPolarHBondContact CA-O 3.32Å; P372-H710 HydrophobicContact CB-CB 3.66Å; L373-H710 PolarHBondContact N-O 3.43Å; L373-H710 PolarHBondContact O-ND1 2.91Å; L379-H710 WeakPolarHBondContact CD2-O 3.39Å; V706-H710 PolarHBondContact O-CD2 3.06Å; V706-H710 PolarHBondContact O-N 3.07Å; L707-H710 CarbonylContact O-C 3.49Å; L707-H710 PolarHBondContact O-N 3.06Å; L707-H710 VanDerWaalsContact O-N 3.13Å; M708-H710 PolarHBondContact O-N 3.29Å; H710-M724 VanDerWaalsContact CE1-CE 3.47Å; H710-M724 WeakPolarHBondContact CE1-CE 3.46Å; H710-M724 VanDerWaalsContact CE1-SD 3.59Å; H710-V725 PolarHBondContact CE1-N 3.29Å; H710-V725 VanDerWaalsContact CE1-N 3.33Å; H710-V725 PolarHBondContact NE2-N 3.27Å; H710-V725 VanDerWaalsContact NE2-N 3.19Å
711	I	97.1	Very high	97.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-86.4	-19.6	169.4	-67.1	161	0	0	0	110.7	W368 V369 P372 R382 F628 L707 M708 A709	W368-I711 HydrophobicContact CB-CG2 4.15Å; V369-I711 HydrophobicContact CB-CD1 4.2Å; V369-I711 HydrophobicContact CG1-CD1 4.14Å; P372-I711 HydrophobicContact CB-CG1 4.22Å; P372-I711 HydrophobicContact CG-CG1 4.48Å; R382-I711 PolarHBondContact NH1-O 3.46Å; F628-I711 HydrophobicContact CE1-CG2 4.24Å; F628-I711 HydrophobicContact CE2-CG2 4.07Å; F628-I711 HydrophobicContact CZ-CG2 3.42Å; F628-I711 VanDerWaalsContact CZ-CG2 3.42Å; L707-I711 HydrophobicContact CD1-CD1 4.19Å; L707-I711 HydrophobicContact CD2-CD1 4.35Å; L707-I711 HydrophobicContact CG-CD1 3.77Å; L707-I711 WeakPolarHBondContact O-CD1 3.47Å; L707-I711 VanDerWaalsContact O-CG1 3.27Å; L707-I711 WeakPolarHBondContact O-CG1 3.18Å; L707-I711 PolarHBondContact O-N 3.4Å; M708-I711 PolarHBondContact O-N 3.39Å; M708-I711 VanDerWaalsContact O-N 3.14Å; A709-I711 PolarHBondContact O-N 3.16Å
712	G	97.4	Very high	97.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.9	16.3	-175.8	0	0	0	0	0	113.9	H383 M708 A709	H383-G712 VanDerWaalsContact CD2-C 3.48Å; H383-G712 PolarHBondContact CD2-O 3.05Å; H383-G712 VanDerWaalsContact CD2-O 3.28Å; H383-G712 WeakPolarHBondContact NE2-CA 3.47Å; M708-G712 PolarHBondContact O-N 3.11Å; A709-G712 PolarHBondContact O-N 3.17Å; A709-G712 VanDerWaalsContact O-N 3.11Å
713	A	98.1	Very high	97.9	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.008	5%	0.048	C	C	.	.			trans	-93.8	157.3	174.9	0	0	0	0	0	111	L353 F628 M708	L353-A713 HydrophobicContact CD1-CB 4.43Å; L353-A713 HydrophobicContact CD2-CB 4.01Å; F628-A713 HydrophobicContact CB-CB 4.49Å; F628-A713 HydrophobicContact CD1-CB 3.86Å; F628-A713 HydrophobicContact CD2-CB 4.07Å; F628-A713 HydrophobicContact CE1-CB 4.01Å; F628-A713 HydrophobicContact CE2-CB 4.24Å; F628-A713 HydrophobicContact CG-CB 3.9Å; F628-A713 HydrophobicContact CZ-CB 4.24Å; M708-A713 HydrophobicContact CB-CB 4.45Å; M708-A713 PolarHBondContact O-N 3.28Å
714	F	98.6	Very high	97.9	Very high	6 Å²	6	8.1 Å²	8.1	3%	0.026	5%	0.049	C	C	.	.			trans	-73.5	153.4	171.2	-77.8	22.5	0	0	0	110.1	H383 V386 Q387 L390 A632 V640 R641 M708	H383-F714 HydrophobicContact CB-CE1 4.34Å; V386-F714 HydrophobicContact CB-CD1 4.38Å; V386-F714 HydrophobicContact CB-CE1 3.93Å; V386-F714 HydrophobicContact CB-CZ 4.44Å; V386-F714 HydrophobicContact CG1-CD1 3.77Å; V386-F714 HydrophobicContact CG1-CE1 3.65Å; V386-F714 HydrophobicContact CG1-CE2 4.47Å; V386-F714 HydrophobicContact CG1-CG 4.23Å; V386-F714 HydrophobicContact CG1-CZ 4.01Å; Q387-F714 HydrophobicContact CB-CZ 3.98Å; Q387-F714 VanDerWaalsContact OE1-CE2 3.31Å; L390-F714 HydrophobicContact CD1-CD2 3.54Å; L390-F714 HydrophobicContact CD1-CE2 3.28Å; L390-F714 HydrophobicContact CD1-CG 4.42Å; L390-F714 HydrophobicContact CD1-CZ 3.97Å; A632-F714 HydrophobicContact CB-CB 4.07Å; V640-F714 WeakPolarHBondContact O-CA 3.5Å; V640-F714 WeakPolarHBondContact O-CB 3.31Å; R641-F714 HydrophobicContact CB-CD1 4.32Å; R641-F714 HydrophobicContact CB-CD2 4.23Å; R641-F714 HydrophobicContact CB-CE1 3.84Å; R641-F714 HydrophobicContact CB-CE2 3.71Å; R641-F714 HydrophobicContact CB-CZ 3.52Å; R641-F714 HydrophobicContact CG-CE1 3.88Å; R641-F714 HydrophobicContact CG-CZ 3.89Å; M708-F714 VanDerWaalsContact CE-O 3.22Å; M708-F714 WeakPolarHBondContact CE-O 3.48Å
715	V	98.4	Very high	97.8	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.049	C	C	.	.	B	Isolated β-bridge	trans	-109.3	149.9	-168.9	-61.9	0	0	0	0	112.5	Y639 V640 P642 A705 M708 A709 C717 A720	Y639-V715 WeakPolarHBondContact CA-O 3.48Å; Y639-V715 WeakPolarHBondContact CB-O 3.49Å; V640-V715 HydrophobicContact CG2-CG2 4.03Å; V640-V715 PolarHBondContact N-O 3.39Å; V640-V715 PolarHBondContact O-N 2.94Å; P642-V715 HydrophobicContact CB-CG1 4.36Å; P642-V715 HydrophobicContact CB-CG2 4.2Å; P642-V715 HydrophobicContact CG-CG1 4.27Å; A705-V715 HydrophobicContact CB-CB 4.45Å; A705-V715 VanDerWaalsContact O-CG1 3.24Å; A705-V715 WeakPolarHBondContact O-CG1 3.41Å; M708-V715 HydrophobicContact CB-CG1 4.15Å; A709-V715 HydrophobicContact CB-CG1 3.9Å; V715-C717 HydrophobicContact CG2-CB 4.25Å; V715-C717 PolarHBondContact O-N 3.46Å; V715-A720 HydrophobicContact CG2-CB 3.42Å; V715-A720 VanDerWaalsContact CG2-CB 3.42Å
716	P	97.5	Very high	97.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	-79.8	64.3	-177.2	34.4	-38.2	0	0	0	111.8	Y639 V657 R658 P660 M708	Y639-P716 HydrophobicContact CD1-CB 3.85Å; Y639-P716 HydrophobicContact CE1-CB 3.53Å; V657-P716 WeakPolarHBondContact CA-O 3.45Å; R658-P716 HydrophobicContact CB-CB 4.24Å; R658-P716 PolarHBondContact N-O 3.07Å; R658-P716 PolarHBondContact NE-O 3.2Å; R658-P716 VanDerWaalsContact NH2-C 3.34Å; R658-P716 WeakPolarHBondContact O-CG 3.25Å; P660-P716 HydrophobicContact CB-CG 4.28Å; P660-P716 HydrophobicContact CG-CG 4.37Å; M708-P716 HydrophobicContact SD-CG 4.37Å
717	C	97.7	Very high	97.5	Very high	1 Å²	1	9 Å²	9	1%	0.007	5%	0.054	C	C	.	.	S	Bend	trans	-132.1	172	-178.5	-58.7	0	0	0	0	110.1	V640 E655 R658 V715 L719 A720	V640-C717 VanDerWaalsContact CG1-O 3.3Å; V640-C717 WeakPolarHBondContact CG1-O 3.31Å; V640-C717 HydrophobicContact CG2-CB 3.95Å; V640-C717 VanDerWaalsContact CG2-O 3.3Å; V640-C717 WeakPolarHBondContact CG2-O 3.35Å; E655-C717 WeakPolarHBondContact O-CA 3.29Å; E655-C717 WeakPolarHBondContact O-CB 3.41Å; R658-C717 PolarHBondContact NH2-O 3.37Å; V715-C717 HydrophobicContact CG2-CB 4.25Å; V715-C717 PolarHBondContact O-N 3.46Å; C717-L719 WeakPolarHBondContact CB-O 3.29Å; C717-A720 HydrophobicContact CB-CB 4.35Å
718	S	97.1	Very high	97.4	Very high	59 Å²	59	9 Å²	9	41%	0.413	5%	0.054	S	C	.	.	S	Bend	trans	-87.3	-34.3	162.9	55.7	0	0	0	0	111.4	E655 D656	E655-S718 VanDerWaalsContact C-OG 3.3Å; E655-S718 VanDerWaalsContact CB-OG 3.26Å; E655-S718 WeakPolarHBondContact CB-OG 3.16Å; E655-S718 PolarHBondContact O-N 2.87Å; E655-S718 PolarHBondContact O-OG 3.42Å; E655-S718 VanDerWaalsContact O-OG 3.08Å; D656-S718 WeakPolarHBondContact CB-OG 3.29Å; D656-S718 PolarHBondContact OD2-OG 3.36Å
719	L	98.3	Very high	97.1	Very high	75 Å²	75	9.2 Å²	9.2	39%	0.393	6%	0.055	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	143.7	172	-178.1	147.5	0	0	0	110.1	V653 L654 E655 C717	V653-L719 HydrophobicContact CG1-CD2 4.45Å; L654-L719 WeakPolarHBondContact CA-O 3.48Å; E655-L719 HydrophobicContact CB-CB 4.05Å; E655-L719 HydrophobicContact CG-CB 4.14Å; E655-L719 HydrophobicContact CG-CD2 4.42Å; E655-L719 PolarHBondContact N-O 3.31Å; C717-L719 WeakPolarHBondContact CB-O 3.29Å
720	A	98.4	Very high	96.6	Very high	5 Å²	5	9.3 Å²	9.3	4%	0.041	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	122.4	176.4	0	0	0	0	0	112.5	P642 K643 V653 L654 V715 C717 I722	P642-A720 HydrophobicContact CB-CB 4.18Å; K643-A720 PolarHBondContact N-O 3.06Å; V653-A720 CarbonylContact O-C 3.58Å; V653-A720 WeakPolarHBondContact O-CA 3.29Å; L654-A720 HydrophobicContact CD2-CB 3.72Å; V715-A720 HydrophobicContact CG2-CB 3.42Å; V715-A720 VanDerWaalsContact CG2-CB 3.42Å; C717-A720 HydrophobicContact CB-CB 4.35Å; A720-I722 HydrophobicContact CB-CD1 4.43Å
721	T	98.4	Very high	96.1	Very high	16 Å²	16	10.5 Å²	10.5	10%	0.098	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120	168.4	-61.6	0	0	0	0	108.3	K643 L645 E651 L652 V653	K643-T721 HydrophobicContact CD-CG2 4.33Å; L645-T721 HydrophobicContact CD1-CG2 3.49Å; L645-T721 VanDerWaalsContact CD1-CG2 3.49Å; L645-T721 HydrophobicContact CD2-CG2 4.17Å; L645-T721 HydrophobicContact CG-CG2 3.78Å; E651-T721 HydrophobicContact CG-CG2 4.36Å; L652-T721 WeakPolarHBondContact CA-O 3.47Å; V653-T721 PolarHBondContact N-O 3.12Å; V653-T721 PolarHBondContact O-N 3.15Å
722	I	98.2	Very high	94.8	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.005	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	118.6	-168.5	-58.2	173.6	0	0	0	108.5	P642 K643 M644 L645 L652 L654 V706 A709 A720	P642-I722 HydrophobicContact CB-CD1 4.04Å; K643-I722 PolarHBondContact O-N 3.36Å; M644-I722 CarbonylContact C-O 3.46Å; M644-I722 WeakPolarHBondContact CA-O 3.41Å; M644-I722 HydrophobicContact CE-CB 4.39Å; M644-I722 HydrophobicContact CE-CG2 4.16Å; M644-I722 HydrophobicContact SD-CB 4.21Å; L645-I722 PolarHBondContact N-O 3.43Å; L652-I722 HydrophobicContact CD1-CB 4.36Å; L652-I722 HydrophobicContact CD1-CG1 3.86Å; L652-I722 HydrophobicContact CD1-CG2 4.24Å; L654-I722 HydrophobicContact CD2-CD1 3.92Å; L654-I722 HydrophobicContact CD2-CG1 3.86Å; V706-I722 HydrophobicContact CG1-CG2 4.37Å; V706-I722 HydrophobicContact CG2-CG2 4.41Å; A709-I722 HydrophobicContact CB-CD1 3.46Å; A709-I722 VanDerWaalsContact CB-CD1 3.46Å; A720-I722 HydrophobicContact CB-CD1 4.43Å
723	S	97.4	Very high	93.2	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.014	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	141.9	166.2	-59.6	0	0	0	0	110.8	R650 E651 V725	R650-S723 PolarHBondContact N-OG 3.45Å; E651-S723 PolarHBondContact N-OG 3.37Å; E651-S723 VanDerWaalsContact O-CB 3.31Å; E651-S723 WeakPolarHBondContact O-CB 3.5Å; E651-S723 PolarHBondContact O-N 3.49Å; E651-S723 PolarHBondContact O-OG 2.96Å; S723-V725 PolarHBondContact O-N 3.1Å; S723-V725 VanDerWaalsContact O-N 3.14Å
724	M	96.8	Very high	90.6	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.02	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-55.3	122.3	173.2	-67.1	-59.1	-73.7	0	0	110.1	R374 R376 L379 M644 L645 E647 H710	R374-M724 VanDerWaalsContact CA-CE 3.42Å; R374-M724 HydrophobicContact CB-CE 4.49Å; R374-M724 WeakPolarHBondContact O-CE 3.35Å; R376-M724 HydrophobicContact CB-CG 4.47Å; R376-M724 HydrophobicContact CB-SD 4.41Å; L379-M724 HydrophobicContact CD1-CE 3.68Å; L379-M724 HydrophobicContact CD1-SD 3.77Å; M644-M724 HydrophobicContact CE-SD 3.49Å; M644-M724 WeakPolarHBondContact CE-SD 3.31Å; L645-M724 VanDerWaalsContact O-CG 3.29Å; L645-M724 WeakPolarHBondContact O-CG 3.34Å; L645-M724 PolarHBondContact O-N 3.4Å; L645-M724 VanDerWaalsContact O-N 3.16Å; E647-M724 HydrophobicContact CB-CB 4.07Å; H710-M724 VanDerWaalsContact CE1-CE 3.47Å; H710-M724 WeakPolarHBondContact CE1-CE 3.46Å; H710-M724 VanDerWaalsContact CE1-SD 3.59Å
725	V	96.6	Very high	88.1	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.006	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-95	151.5	173.3	-57.4	0	0	0	0	111.2	V319 V706 H710 S723 I728 K762 L764 F797	V319-V725 HydrophobicContact CG1-CG2 4.02Å; V319-V725 HydrophobicContact CG2-CG2 4.39Å; V706-V725 HydrophobicContact CG1-CG1 4.23Å; V706-V725 HydrophobicContact CG1-CG2 3.87Å; H710-V725 PolarHBondContact CE1-N 3.29Å; H710-V725 VanDerWaalsContact CE1-N 3.33Å; H710-V725 PolarHBondContact NE2-N 3.27Å; H710-V725 VanDerWaalsContact NE2-N 3.19Å; S723-V725 PolarHBondContact O-N 3.1Å; S723-V725 VanDerWaalsContact O-N 3.14Å; V725-I728 HydrophobicContact CG2-CG1 4.1Å; V725-K762 VanDerWaalsContact CA-O 3.27Å; V725-K762 WeakPolarHBondContact CA-O 3.5Å; V725-K762 WeakPolarHBondContact CB-O 3.4Å; V725-L764 HydrophobicContact CG1-CB 4.46Å; V725-F797 HydrophobicContact CG1-CD2 4.38Å; V725-F797 HydrophobicContact CG1-CE2 4.34Å
726	D	94.9	Very high	85.2	Confident	16 Å²	16	27.1 Å²	27.1	9%	0.086	18%	0.179	C	C	.	.	S	Bend	trans	-88.4	-28.5	175	70.3	-14.3	0	0	0	113.4	V319 H320 T760 K762 S763	V319-D726 WeakPolarHBondContact CA-O 3.49Å; H320-D726 PolarHBondContact N-O 2.92Å; D726-T760 VanDerWaalsContact CG-OG1 3.29Å; D726-T760 WeakPolarHBondContact OD2-CB 3.42Å; D726-T760 WeakPolarHBondContact OD2-CG2 3.48Å; D726-T760 PolarHBondContact OD2-OG1 3.46Å; D726-K762 HydrophobicContact CB-CB 4.35Å; D726-K762 PolarHBondContact N-O 3.36Å; D726-S763 WeakPolarHBondContact OD1-CA 3.45Å; D726-S763 WeakPolarHBondContact OD1-CB 3.42Å; D726-S763 PolarHBondContact OD1-N 2.96Å; D726-S763 PolarHBondContact OD1-OG 3.37Å
727	S	94.1	Very high	82.5	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.014	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	150.2	-174.6	58.8	0	0	0	0	111.1	H320 S763 L764	H320-S727 CarbonylContact O-C 2.98Å; H320-S727 WeakPolarHBondContact O-CA 3.39Å; S727-S763 WeakPolarHBondContact OG-CB 3.44Å; S727-S763 PolarHBondContact OG-OG 3.5Å; S727-L764 PolarHBondContact O-N 3.05Å
728	I	95.3	Very high	79.8	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	109.8	165.8	-55.8	169	0	0	0	106.2	V319 H320 L321 A325 L329 V706 L707 V725 L764 I766	V319-I728 HydrophobicContact CG1-CD1 4.3Å; V319-I728 HydrophobicContact CG1-CG1 3.95Å; H320-I728 PolarHBondContact O-N 2.9Å; L321-I728 HydrophobicContact CD2-CB 3.78Å; L321-I728 HydrophobicContact CD2-CD1 4.25Å; L321-I728 HydrophobicContact CD2-CG1 4.34Å; A325-I728 WeakPolarHBondContact CB-O 3.21Å; L329-I728 HydrophobicContact CD1-CG2 4.08Å; V706-I728 HydrophobicContact CG1-CD1 4.1Å; L707-I728 HydrophobicContact CB-CD1 4.11Å; L707-I728 HydrophobicContact CD1-CD1 4.41Å; V725-I728 HydrophobicContact CG2-CG1 4.1Å; I728-L764 WeakPolarHBondContact CA-O 3.39Å; I728-L764 HydrophobicContact CG1-CB 4.42Å; I728-L764 HydrophobicContact CG1-CD2 4.5Å; I728-L764 HydrophobicContact CG2-CD2 4.29Å; I728-I766 HydrophobicContact CG2-CD1 4.46Å
729	L	92.3	Very high	77.3	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134.8	-173.6	-54.6	174.4	0	0	0	108.5	I755 T758 A759 L764 V765 I766	L729-I755 HydrophobicContact CB-CG1 4.17Å; L729-I755 HydrophobicContact CB-CG2 4.42Å; L729-T758 HydrophobicContact CD1-CG2 4.22Å; L729-T758 HydrophobicContact CD2-CG2 4.26Å; L729-A759 HydrophobicContact CD1-CB 3.87Å; L729-L764 PolarHBondContact N-O 3.13Å; L729-V765 HydrophobicContact CB-CG2 4.42Å; L729-V765 WeakPolarHBondContact O-CA 3.49Å; L729-I766 PolarHBondContact O-N 3.48Å
730	G	88.4	Confident	74.9	Confident	2 Å²	2	44.2 Å²	44.2	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	122.3	-167.4	0	0	0	0	0	113	D322 A324 I766	D322-G730 PolarHBondContact OD2-N 2.76Å; A324-G730 WeakPolarHBondContact CB-O 3.26Å; G730-I766 CarbonylContact C-O 3.58Å; G730-I766 WeakPolarHBondContact CA-O 3.18Å
731	R	86.1	Confident	72.8	Confident	25 Å²	25	48 Å²	48	9%	0.094	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	100.3	160	175.3	63	-174.4	87	11.7	108	G733 E751 I755 I766 I767 D768	R731-G733 VanDerWaalsContact NH1-N 3.12Å; R731-E751 WeakPolarHBondContact CD-OE2 3.41Å; R731-E751 IonicContact CZ-OE2 3.75Å; R731-E751 IonicContact NE-OE2 2.78Å; R731-E751 PolarHBondContact NE-OE2 2.83Å; R731-I755 HydrophobicContact CB-CD1 3.79Å; R731-I766 PolarHBondContact N-O 2.9Å; R731-I767 CarbonylContact O-C 3.57Å; R731-D768 PolarHBondContact O-N 2.88Å
732	V	71.4	Confident	71	Confident	13 Å²	13	51.6 Å²	51.6	8%	0.079	32%	0.315	C	S	.	.			trans	-125.4	123.1	178.3	-178.3	0	0	0	0	108.7	A328 R700 A734 I766 D768	A328-V732 HydrophobicContact CB-CB 3.56Å; A328-V732 HydrophobicContact CB-CG1 4.17Å; A328-V732 HydrophobicContact CB-CG2 3.5Å; A328-V732 VanDerWaalsContact CB-CG2 3.5Å; R700-V732 VanDerWaalsContact CZ-CG1 3.45Å; V732-A734 PolarHBondContact O-N 3.02Å; V732-I766 HydrophobicContact CG2-CG2 3.99Å; V732-D768 HydrophobicContact CB-CB 4.36Å; V732-D768 HydrophobicContact CG1-CB 4.19Å; V732-D768 HydrophobicContact CG2-CB 4.28Å
733	G	62.3	Low	69.6	Low	46 Å²	46	55 Å²	55	47%	0.474	34%	0.34	S	S	.	.			trans	-27	105.4	-177.2	0	0	0	0	0	114	R731	R731-G733 VanDerWaalsContact NH1-N 3.12Å
734	A	45.3	Very low	68.4	Low	71 Å²	71	58.8 Å²	58.8	59%	0.587	36%	0.363	S	S	*	.			trans	-76.3	138.4	172.6	0	0	0	0	0	109	V732 D736	V732-A734 PolarHBondContact O-N 3.02Å; A734-D736 PolarHBondContact O-N 3.28Å
735	S	44.5	Very low	67.6	Low	103 Å²	103	60.6 Å²	60.6	72%	0.72	37%	0.371	S	S	*	.			trans	-54.4	127.2	163	46.4	0	0	0	0	109.2	N737	S735-N737 PolarHBondContact O-N 2.78Å
736	D	38.8	Very low	66.6	Low	123 Å²	123	65.1 Å²	65.1	66%	0.658	39%	0.393	S	S	*	.			trans	-40	108.7	-177.7	-70.9	-41.9	0	0	0	111.9	A734 I738	A734-D736 PolarHBondContact O-N 3.28Å; D736-I738 HydrophobicContact CB-CG1 4.17Å; D736-I738 PolarHBondContact O-N 2.81Å
737	N	41.2	Very low	65.7	Low	94 Å²	94	66.5 Å²	66.5	50%	0.503	40%	0.401	S	S	.	.			trans	-97.6	71.7	174.4	-116.9	-29.8	0	0	0	108.6	S735 I739 K740	S735-N737 PolarHBondContact O-N 2.78Å; N737-I739 PolarHBondContact O-N 2.95Å; N737-K740 PolarHBondContact O-N 3.12Å
738	I	40.5	Very low	65.1	Low	155 Å²	155	66.8 Å²	66.8	80%	0.795	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-54.3	-21.1	179.4	-61.7	169.3	0	0	0	112	D736 K740	D736-I738 HydrophobicContact CB-CG1 4.17Å; D736-I738 PolarHBondContact O-N 2.81Å; I738-K740 VanDerWaalsContact C-N 3.26Å; I738-K740 PolarHBondContact O-N 3.29Å
739	I	43.6	Very low	64.5	Low	156 Å²	156	68.8 Å²	68.8	80%	0.8	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-69.8	-13.9	-170.7	-58.6	173.6	0	0	0	113.5	N737	N737-I739 PolarHBondContact O-N 2.95Å
740	K	49.3	Very low	63.9	Low	90 Å²	90	70.3 Å²	70.3	39%	0.391	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-104.6	3.5	-163.6	-66.9	-175.3	-178.9	172	0	117.4	R240 N737 I738 L742	R240-K740 VanDerWaalsContact CA-NZ 3.31Å; N737-K740 PolarHBondContact O-N 3.12Å; I738-K740 VanDerWaalsContact C-N 3.26Å; I738-K740 PolarHBondContact O-N 3.29Å; K740-L742 PolarHBondContact O-N 3.36Å
741	G	53.2	Low	63.5	Low	83 Å²	83	72 Å²	72	86%	0.856	43%	0.428	S	S	*	.	S	Bend	trans	66.6	4.2	172.7	0	0	0	0	0	116.6
742	L	60.7	Low	63.5	Low	92 Å²	92	70.9 Å²	70.9	48%	0.482	42%	0.424	S	S	.	.	S	Bend	trans	-102.8	144.6	169.7	-67.1	173.7	0	0	0	109.7	K740 V747	K740-L742 PolarHBondContact O-N 3.36Å; L742-V747 HydrophobicContact CB-CG2 4.01Å; L742-V747 HydrophobicContact CD1-CG2 4.38Å
743	S	68.3	Low	64.2	Low	73 Å²	73	71.9 Å²	71.9	51%	0.51	43%	0.431	S	S	.	.			trans	-60.6	140.4	171.2	173.7	0	0	0	0	110.2	F745 M746 V747	S743-F745 PolarHBondContact O-N 3.07Å; S743-F745 PolarHBondContact OG-N 3.35Å; S743-M746 WeakPolarHBondContact O-CB 3.41Å; S743-M746 PolarHBondContact O-N 2.98Å; S743-V747 PolarHBondContact O-N 3.45Å; S743-V747 VanDerWaalsContact O-N 3.12Å
744	T	73.3	Confident	65.1	Low	81 Å²	81	70.4 Å²	70.4	50%	0.497	42%	0.416	S	S	.	.	H	α-helix	trans	-54.6	-39.4	175.5	48.1	0	0	0	0	111.5	V747 E748	T744-V747 PolarHBondContact O-N 3.44Å; T744-E748 WeakPolarHBondContact O-CB 3.4Å; T744-E748 PolarHBondContact O-N 3.23Å; T744-E748 VanDerWaalsContact O-N 3.09Å
745	F	78.9	Confident	67.3	Low	43 Å²	43	67 Å²	67	19%	0.189	39%	0.388	C	S	.	.	H	α-helix	trans	-65.3	-38.2	175.1	-175.2	-109.1	0	0	0	112.8	S743 V747 E748 M749 T774 I782	S743-F745 PolarHBondContact O-N 3.07Å; S743-F745 PolarHBondContact OG-N 3.35Å; F745-V747 PolarHBondContact O-N 2.54Å; F745-E748 WeakPolarHBondContact O-CB 3.22Å; F745-E748 PolarHBondContact O-N 3.22Å; F745-M749 HydrophobicContact CD1-CG 4.2Å; F745-M749 HydrophobicContact CD2-CE 4.45Å; F745-M749 HydrophobicContact CE1-CG 3.79Å; F745-M749 HydrophobicContact CE1-SD 4.3Å; F745-M749 HydrophobicContact CE2-CE 3.81Å; F745-M749 HydrophobicContact CE2-CG 4.27Å; F745-M749 HydrophobicContact CE2-SD 4.17Å; F745-M749 HydrophobicContact CZ-CE 4.05Å; F745-M749 HydrophobicContact CZ-CG 3.83Å; F745-M749 HydrophobicContact CZ-SD 3.78Å; F745-M749 WeakPolarHBondContact O-CG 3.42Å; F745-M749 PolarHBondContact O-N 3.28Å; F745-T774 HydrophobicContact CD2-CG2 4.31Å; F745-T774 HydrophobicContact CE2-CG2 3.55Å; F745-T774 HydrophobicContact CZ-CG2 3.72Å; F745-I782 HydrophobicContact CZ-CD1 4.01Å
746	M	76.1	Confident	69.5	Low	95 Å²	95	64.5 Å²	64.5	47%	0.468	37%	0.366	S	S	.	.	H	α-helix	trans	-65.6	-41.2	177.9	-175.8	64.8	171.4	0	0	111.4	S743 E748 M749 I750	S743-M746 WeakPolarHBondContact O-CB 3.41Å; S743-M746 PolarHBondContact O-N 2.98Å; M746-E748 VanDerWaalsContact C-N 3.32Å; M746-M749 PolarHBondContact O-N 3.29Å; M746-I750 HydrophobicContact CE-CD1 4.2Å; M746-I750 HydrophobicContact CE-CG1 4.43Å; M746-I750 HydrophobicContact CG-CD1 4.08Å; M746-I750 VanDerWaalsContact O-CG1 3.32Å; M746-I750 WeakPolarHBondContact O-CG1 3.26Å; M746-I750 PolarHBondContact O-N 3.48Å
747	V	75.6	Confident	71.8	Confident	45 Å²	45	65.5 Å²	65.5	27%	0.273	36%	0.36	S	S	.	.	H	α-helix	trans	-61.1	-45.1	175	175.8	0	0	0	0	110.4	L742 S743 T744 F745 M749 I750 E751	L742-V747 HydrophobicContact CB-CG2 4.01Å; L742-V747 HydrophobicContact CD1-CG2 4.38Å; S743-V747 PolarHBondContact O-N 3.45Å; S743-V747 VanDerWaalsContact O-N 3.12Å; T744-V747 PolarHBondContact O-N 3.44Å; F745-V747 PolarHBondContact O-N 2.54Å; V747-M749 VanDerWaalsContact C-N 3.32Å; V747-M749 PolarHBondContact O-N 3.36Å; V747-I750 PolarHBondContact O-N 3.01Å; V747-E751 HydrophobicContact CG1-CG 4.38Å; V747-E751 WeakPolarHBondContact CG1-OE1 2.8Å; V747-E751 WeakPolarHBondContact O-CG 3.3Å; V747-E751 PolarHBondContact O-N 3.38Å
748	E	81.1	Confident	74	Confident	8 Å²	8	62.5 Å²	62.5	4%	0.037	35%	0.345	C	S	.	.	H	α-helix	trans	-58.1	-41.5	175.9	176	178.5	-167	0	0	112.6	T744 F745 M746 T752 L770 G771	T744-E748 WeakPolarHBondContact O-CB 3.4Å; T744-E748 PolarHBondContact O-N 3.23Å; T744-E748 VanDerWaalsContact O-N 3.09Å; F745-E748 WeakPolarHBondContact O-CB 3.22Å; F745-E748 PolarHBondContact O-N 3.22Å; M746-E748 VanDerWaalsContact C-N 3.32Å; E748-T752 WeakPolarHBondContact O-CB 3.21Å; E748-T752 PolarHBondContact O-N 3.12Å; E748-T752 PolarHBondContact O-OG1 3.2Å; E748-L770 HydrophobicContact CG-CD1 3.69Å; E748-L770 VanDerWaalsContact OE1-CA 3.28Å; E748-L770 WeakPolarHBondContact OE1-CA 3.48Å; E748-L770 WeakPolarHBondContact OE1-CD1 3.36Å; E748-G771 PolarHBondContact OE1-N 2.6Å
749	M	84.6	Confident	76.5	Confident	44 Å²	44	55.7 Å²	55.7	22%	0.217	31%	0.312	C	S	.	.	H	α-helix	trans	-69.4	-39	176.5	-67	-60	95.3	0	0	112.9	F745 M746 V747 T752 S753 L770 I782	F745-M749 HydrophobicContact CD1-CG 4.2Å; F745-M749 HydrophobicContact CD2-CE 4.45Å; F745-M749 HydrophobicContact CE1-CG 3.79Å; F745-M749 HydrophobicContact CE1-SD 4.3Å; F745-M749 HydrophobicContact CE2-CE 3.81Å; F745-M749 HydrophobicContact CE2-CG 4.27Å; F745-M749 HydrophobicContact CE2-SD 4.17Å; F745-M749 HydrophobicContact CZ-CE 4.05Å; F745-M749 HydrophobicContact CZ-CG 3.83Å; F745-M749 HydrophobicContact CZ-SD 3.78Å; F745-M749 WeakPolarHBondContact O-CG 3.42Å; F745-M749 PolarHBondContact O-N 3.28Å; M746-M749 PolarHBondContact O-N 3.29Å; V747-M749 VanDerWaalsContact C-N 3.32Å; V747-M749 PolarHBondContact O-N 3.36Å; M749-T752 PolarHBondContact O-N 3.35Å; M749-S753 VanDerWaalsContact O-CB 3.25Å; M749-S753 WeakPolarHBondContact O-CB 3.42Å; M749-S753 PolarHBondContact O-N 3.39Å; M749-L770 HydrophobicContact CE-CD1 4.07Å; M749-I782 HydrophobicContact CE-CG2 4.23Å; M749-I782 HydrophobicContact SD-CD1 4.49Å; M749-I782 HydrophobicContact SD-CG2 4.06Å
750	I	78.2	Confident	78.9	Confident	35 Å²	35	50.6 Å²	50.6	18%	0.179	29%	0.289	C	S	.	.	H	α-helix	trans	-64.2	-48	176.4	-68.6	166.9	0	0	0	110.4	F206 M746 V747 T752 S753 G754	F206-I750 HydrophobicContact CD1-CD1 4.47Å; F206-I750 HydrophobicContact CD1-CG1 4.33Å; F206-I750 HydrophobicContact CD1-CG2 3.78Å; F206-I750 HydrophobicContact CE1-CD1 4.15Å; F206-I750 HydrophobicContact CE1-CG1 3.92Å; F206-I750 HydrophobicContact CE1-CG2 4.2Å; F206-I750 HydrophobicContact CG-CG2 4.17Å; M746-I750 HydrophobicContact CE-CD1 4.2Å; M746-I750 HydrophobicContact CE-CG1 4.43Å; M746-I750 HydrophobicContact CG-CD1 4.08Å; M746-I750 VanDerWaalsContact O-CG1 3.32Å; M746-I750 WeakPolarHBondContact O-CG1 3.26Å; M746-I750 PolarHBondContact O-N 3.48Å; V747-I750 PolarHBondContact O-N 3.01Å; I750-T752 VanDerWaalsContact C-N 3.31Å; I750-T752 PolarHBondContact O-N 2.91Å; I750-S753 PolarHBondContact O-N 3.2Å; I750-G754 PolarHBondContact O-N 2.97Å
751	E	79.9	Confident	81.1	Confident	37 Å²	37	49.3 Å²	49.3	17%	0.173	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-45.1	177.8	-72.7	174	176.5	0	0	110.8	R731 V747 G754 I755	R731-E751 WeakPolarHBondContact CD-OE2 3.41Å; R731-E751 IonicContact CZ-OE2 3.75Å; R731-E751 IonicContact NE-OE2 2.78Å; R731-E751 PolarHBondContact NE-OE2 2.83Å; V747-E751 HydrophobicContact CG1-CG 4.38Å; V747-E751 WeakPolarHBondContact CG1-OE1 2.8Å; V747-E751 WeakPolarHBondContact O-CG 3.3Å; V747-E751 PolarHBondContact O-N 3.38Å; E751-G754 PolarHBondContact O-N 3.12Å; E751-I755 WeakPolarHBondContact O-CG1 3.43Å; E751-I755 PolarHBondContact O-N 2.64Å
752	T	87.6	Confident	83.1	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-71.1	-35.1	-178.9	-44.9	0	0	0	0	112.8	E748 M749 I750 G754 I755 I756 L770 I786	E748-T752 WeakPolarHBondContact O-CB 3.21Å; E748-T752 PolarHBondContact O-N 3.12Å; E748-T752 PolarHBondContact O-OG1 3.2Å; M749-T752 PolarHBondContact O-N 3.35Å; I750-T752 VanDerWaalsContact C-N 3.31Å; I750-T752 PolarHBondContact O-N 2.91Å; T752-G754 VanDerWaalsContact C-N 3.31Å; T752-G754 PolarHBondContact O-N 3.38Å; T752-I755 WeakPolarHBondContact O-CB 3.19Å; T752-I755 PolarHBondContact O-N 2.57Å; T752-I756 HydrophobicContact CG2-CD1 4.41Å; T752-I756 WeakPolarHBondContact O-CG1 3.31Å; T752-I756 PolarHBondContact O-N 3.49Å; T752-L770 HydrophobicContact CG2-CD1 4.19Å; T752-L770 HydrophobicContact CG2-CD2 4.03Å; T752-L770 VanDerWaalsContact OG1-CD1 3.23Å; T752-L770 WeakPolarHBondContact OG1-CD1 3.47Å; T752-I786 HydrophobicContact CG2-CD1 3.7Å; T752-I786 HydrophobicContact CG2-CG2 3.88Å
753	S	84.6	Confident	84.8	Confident	34 Å²	34	43.8 Å²	43.8	24%	0.238	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-41.1	170.9	176.9	0	0	0	0	111.5	M749 I750 I756 R757	M749-S753 VanDerWaalsContact O-CB 3.25Å; M749-S753 WeakPolarHBondContact O-CB 3.42Å; M749-S753 PolarHBondContact O-N 3.39Å; I750-S753 PolarHBondContact O-N 3.2Å; S753-I756 PolarHBondContact O-N 3.23Å; S753-R757 VanDerWaalsContact O-CG 3.32Å; S753-R757 WeakPolarHBondContact O-CG 3.35Å; S753-R757 PolarHBondContact O-N 2.96Å; S753-R757 VanDerWaalsContact O-N 3.14Å
754	G	83	Confident	86.2	Confident	14 Å²	14	40.3 Å²	40.3	14%	0.144	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-48.3	172.3	0	0	0	0	0	112	I750 E751 T752 I756 R757 T758	I750-G754 PolarHBondContact O-N 2.97Å; E751-G754 PolarHBondContact O-N 3.12Å; T752-G754 VanDerWaalsContact C-N 3.31Å; T752-G754 PolarHBondContact O-N 3.38Å; G754-I756 PolarHBondContact O-N 3.45Å; G754-R757 PolarHBondContact O-N 3.13Å; G754-T758 WeakPolarHBondContact O-CB 3.33Å; G754-T758 PolarHBondContact O-N 3.1Å; G754-T758 PolarHBondContact O-OG1 3.24Å
755	I	89.6	Confident	87.3	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-54.7	-50.3	176.7	-66	169.3	0	0	0	111.1	L729 R731 E751 T752 R757 T758 A759 V765	L729-I755 HydrophobicContact CB-CG1 4.17Å; L729-I755 HydrophobicContact CB-CG2 4.42Å; R731-I755 HydrophobicContact CB-CD1 3.79Å; E751-I755 WeakPolarHBondContact O-CG1 3.43Å; E751-I755 PolarHBondContact O-N 2.64Å; T752-I755 WeakPolarHBondContact O-CB 3.19Å; T752-I755 PolarHBondContact O-N 2.57Å; I755-R757 VanDerWaalsContact C-N 3.3Å; I755-R757 PolarHBondContact O-N 2.71Å; I755-T758 PolarHBondContact O-N 2.92Å; I755-A759 WeakPolarHBondContact O-CB 3.22Å; I755-A759 PolarHBondContact O-N 3.17Å; I755-V765 HydrophobicContact CG2-CG1 3.63Å; I755-V765 HydrophobicContact CG2-CG2 4.06Å
756	I	91.3	Very high	88	Confident	50 Å²	50	34.6 Å²	34.6	26%	0.256	18%	0.178	S	C	.	.	H	α-helix	trans	-62.9	-36.6	-177.1	-68.3	165.4	0	0	0	112	T752 S753 G754 I786	T752-I756 HydrophobicContact CG2-CD1 4.41Å; T752-I756 WeakPolarHBondContact O-CG1 3.31Å; T752-I756 PolarHBondContact O-N 3.49Å; S753-I756 PolarHBondContact O-N 3.23Å; G754-I756 PolarHBondContact O-N 3.45Å; I756-I786 HydrophobicContact CD1-CB 4.44Å; I756-I786 HydrophobicContact CD1-CD1 4.26Å; I756-I786 HydrophobicContact CD1-CG1 3.83Å; I756-I786 HydrophobicContact CD1-CG2 4.02Å; I756-I786 HydrophobicContact CG1-CG2 4.32Å
757	R	86.7	Confident	88.9	Confident	144 Å²	144	30.1 Å²	30.1	54%	0.543	16%	0.156	S	C	.	.	H	α-helix	trans	-76.9	-36.8	-178.7	-71.5	173.6	-179.4	-169.3	-1.8	113.1	D204 S753 G754 I755	D204-R757 IonicContact OD2-NH1 3.6Å; S753-R757 VanDerWaalsContact O-CG 3.32Å; S753-R757 WeakPolarHBondContact O-CG 3.35Å; S753-R757 PolarHBondContact O-N 2.96Å; S753-R757 VanDerWaalsContact O-N 3.14Å; G754-R757 PolarHBondContact O-N 3.13Å; I755-R757 VanDerWaalsContact C-N 3.3Å; I755-R757 PolarHBondContact O-N 2.71Å
758	T	87.9	Confident	89.6	Confident	30 Å²	30	28.2 Å²	28.2	18%	0.184	15%	0.145	C	C	.	.	H	α-helix	trans	-89.4	-31.1	-174.9	-56.6	0	0	0	0	112.4	L729 G754 I755 T760	L729-T758 HydrophobicContact CD1-CG2 4.22Å; L729-T758 HydrophobicContact CD2-CG2 4.26Å; G754-T758 WeakPolarHBondContact O-CB 3.33Å; G754-T758 PolarHBondContact O-N 3.1Å; G754-T758 PolarHBondContact O-OG1 3.24Å; I755-T758 PolarHBondContact O-N 2.92Å; T758-T760 PolarHBondContact O-N 3.25Å
759	A	93.1	Very high	89.9	Confident	12 Å²	12	29.9 Å²	29.9	10%	0.099	15%	0.152	C	C	.	.			trans	-63	136.1	-177	0	0	0	0	0	112.1	L729 I755 V765 L790 T794	L729-A759 HydrophobicContact CD1-CB 3.87Å; I755-A759 WeakPolarHBondContact O-CB 3.22Å; I755-A759 PolarHBondContact O-N 3.17Å; A759-V765 HydrophobicContact CB-CG2 4.01Å; A759-L790 HydrophobicContact CB-CD2 4.36Å; A759-T794 HydrophobicContact CB-CG2 3.87Å; A759-T794 WeakPolarHBondContact O-CG2 3.49Å
760	T	94.9	Very high	90.1	Very high	50 Å²	50	27.8 Å²	27.8	31%	0.307	14%	0.142	S	C	.	.			trans	-119.3	176.3	172.4	81.4	0	0	0	0	109.8	D726 T758 K762 S763 C796	D726-T760 VanDerWaalsContact CG-OG1 3.29Å; D726-T760 WeakPolarHBondContact OD2-CB 3.42Å; D726-T760 WeakPolarHBondContact OD2-CG2 3.48Å; D726-T760 PolarHBondContact OD2-OG1 3.46Å; T758-T760 PolarHBondContact O-N 3.25Å; T760-K762 PolarHBondContact O-N 3.17Å; T760-K762 PolarHBondContact OG1-N 3.11Å; T760-S763 PolarHBondContact N-OG 3.14Å; T760-S763 WeakPolarHBondContact O-CB 3.44Å; T760-S763 PolarHBondContact O-N 3.13Å; T760-S763 VanDerWaalsContact O-N 3.09Å; T760-S763 PolarHBondContact O-OG 3.49Å; T760-S763 PolarHBondContact OG1-OG 2.72Å; T760-C796 WeakPolarHBondContact O-CB 3.4Å
761	D	94.9	Very high	90.3	Very high	63 Å²	63	26.1 Å²	26.1	34%	0.337	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-6.2	176.8	72.7	-37.9	0	0	0	114.7	R650 T794	R650-D761 PolarHBondContact NE-O 2.82Å; D761-T794 VanDerWaalsContact CA-O 3.23Å; D761-T794 WeakPolarHBondContact CA-O 3.47Å; D761-T794 VanDerWaalsContact CB-O 3.31Å; D761-T794 WeakPolarHBondContact CB-O 3.5Å; D761-T794 PolarHBondContact N-O 3.26Å
762	K	95.3	Very high	90.4	Very high	58 Å²	58	28.9 Å²	28.9	25%	0.252	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-1.1	179	-60.4	142.2	173.1	-164	0	113.4	E647 V725 D726 T760	E647-K762 HydrophobicContact CG-CD 3.83Å; E647-K762 HydrophobicContact CG-CG 4.06Å; E647-K762 VanDerWaalsContact OE1-CD 3.25Å; E647-K762 WeakPolarHBondContact OE1-CD 3.38Å; E647-K762 WeakPolarHBondContact OE1-CE 3.31Å; E647-K762 IonicContact OE1-NZ 2.94Å; E647-K762 PolarHBondContact OE1-NZ 3.47Å; V725-K762 VanDerWaalsContact CA-O 3.27Å; V725-K762 WeakPolarHBondContact CA-O 3.5Å; V725-K762 WeakPolarHBondContact CB-O 3.4Å; D726-K762 HydrophobicContact CB-CB 4.35Å; D726-K762 PolarHBondContact N-O 3.36Å; T760-K762 PolarHBondContact O-N 3.17Å; T760-K762 PolarHBondContact OG1-N 3.11Å
763	S	95.9	Very high	89.9	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.			trans	-80.5	152.9	-177.2	-49.2	0	0	0	0	112	D726 S727 T760 C796 F797	D726-S763 WeakPolarHBondContact OD1-CA 3.45Å; D726-S763 WeakPolarHBondContact OD1-CB 3.42Å; D726-S763 PolarHBondContact OD1-N 2.96Å; D726-S763 PolarHBondContact OD1-OG 3.37Å; S727-S763 WeakPolarHBondContact OG-CB 3.44Å; S727-S763 PolarHBondContact OG-OG 3.5Å; T760-S763 PolarHBondContact N-OG 3.14Å; T760-S763 WeakPolarHBondContact O-CB 3.44Å; T760-S763 PolarHBondContact O-N 3.13Å; T760-S763 VanDerWaalsContact O-N 3.09Å; T760-S763 PolarHBondContact O-OG 3.49Å; T760-S763 PolarHBondContact OG1-OG 2.72Å; S763-C796 WeakPolarHBondContact O-CB 3.37Å; S763-F797 PolarHBondContact O-N 2.87Å
764	L	96.8	Very high	89.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.7	162.9	175.8	63.5	0	0	0	109.1	L652 V706 V725 S727 I728 L729 I766 F797	L652-L764 HydrophobicContact CD2-CD1 4.35Å; V706-L764 HydrophobicContact CB-CD2 4.06Å; V706-L764 HydrophobicContact CG1-CD2 4.25Å; V706-L764 HydrophobicContact CG2-CD2 3.99Å; V725-L764 HydrophobicContact CG1-CB 4.46Å; S727-L764 PolarHBondContact O-N 3.05Å; I728-L764 WeakPolarHBondContact CA-O 3.39Å; I728-L764 HydrophobicContact CG1-CB 4.42Å; I728-L764 HydrophobicContact CG1-CD2 4.5Å; I728-L764 HydrophobicContact CG2-CD2 4.29Å; L729-L764 PolarHBondContact N-O 3.13Å; L764-I766 HydrophobicContact CD2-CD1 4.49Å; L764-I766 HydrophobicContact CG-CG1 4.38Å; L764-F797 CarbonylContact C-O 3.58Å; L764-F797 WeakPolarHBondContact CA-O 3.48Å; L764-F797 HydrophobicContact CD1-CB 3.86Å
765	V	96.5	Very high	89.9	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.2	179.2	177.7	0	0	0	0	110	L729 I755 A759 I767 L790 C796 F797 T798 L799	L729-V765 HydrophobicContact CB-CG2 4.42Å; L729-V765 WeakPolarHBondContact O-CA 3.49Å; I755-V765 HydrophobicContact CG2-CG1 3.63Å; I755-V765 HydrophobicContact CG2-CG2 4.06Å; A759-V765 HydrophobicContact CB-CG2 4.01Å; V765-I767 HydrophobicContact CG1-CD1 3.98Å; V765-I767 HydrophobicContact CG1-CG1 3.91Å; V765-L790 HydrophobicContact CG1-CD1 3.99Å; V765-C796 HydrophobicContact CG2-CB 4.4Å; V765-C796 VanDerWaalsContact CG2-SG 3.53Å; V765-F797 PolarHBondContact N-O 2.83Å; V765-T798 HydrophobicContact CB-CG2 4.38Å; V765-T798 HydrophobicContact CG1-CG2 4.33Å; V765-T798 WeakPolarHBondContact O-CA 3.41Å; V765-L799 PolarHBondContact O-N 3.17Å
766	I	95.1	Very high	89.4	Confident	4 Å²	4	38 Å²	38	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	116.4	178.6	-59.3	172	0	0	0	108.4	L329 I699 I728 L729 G730 R731 V732 L764	L329-I766 HydrophobicContact CD2-CD1 4.24Å; I699-I766 HydrophobicContact CB-CG2 3.79Å; I699-I766 HydrophobicContact CD1-CG2 3.62Å; I699-I766 HydrophobicContact CG1-CG2 3.65Å; I728-I766 HydrophobicContact CG2-CD1 4.46Å; L729-I766 PolarHBondContact O-N 3.48Å; G730-I766 CarbonylContact C-O 3.58Å; G730-I766 WeakPolarHBondContact CA-O 3.18Å; R731-I766 PolarHBondContact N-O 2.9Å; V732-I766 HydrophobicContact CG2-CG2 3.99Å; L764-I766 HydrophobicContact CD2-CD1 4.49Å; L764-I766 HydrophobicContact CG-CG1 4.38Å
767	I	93.8	Very high	89	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.1	178.8	-64.6	173	0	0	0	108.9	R731 V765 L770 I786 L790 L799 F800 A801	R731-I767 CarbonylContact O-C 3.57Å; V765-I767 HydrophobicContact CG1-CD1 3.98Å; V765-I767 HydrophobicContact CG1-CG1 3.91Å; I767-L770 HydrophobicContact CG2-CB 3.65Å; I767-L770 HydrophobicContact CG2-CD2 4.27Å; I767-I786 HydrophobicContact CD1-CG2 4.43Å; I767-L790 HydrophobicContact CD1-CD1 3.61Å; I767-L799 PolarHBondContact N-O 2.7Å; I767-F800 HydrophobicContact CB-CD2 4.1Å; I767-F800 HydrophobicContact CB-CE2 4.27Å; I767-F800 HydrophobicContact CB-CG 4.33Å; I767-F800 HydrophobicContact CD1-CD2 3.8Å; I767-F800 HydrophobicContact CD1-CE2 3.69Å; I767-F800 HydrophobicContact CG2-CD1 4.38Å; I767-F800 HydrophobicContact CG2-CD2 4.17Å; I767-F800 HydrophobicContact CG2-CE1 4.11Å; I767-F800 HydrophobicContact CG2-CE2 3.9Å; I767-F800 HydrophobicContact CG2-CG 4.4Å; I767-F800 HydrophobicContact CG2-CZ 3.87Å; I767-A801 PolarHBondContact O-N 3.07Å
768	D	91.7	Very high	89.1	Confident	6 Å²	6	42.5 Å²	42.5	3%	0.032	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	108.9	179.3	-158.8	13.8	0	0	0	110.1	S696 I699 R731 V732 L770	S696-D768 WeakPolarHBondContact CB-OD2 3.48Å; S696-D768 PolarHBondContact OG-OD1 3.24Å; S696-D768 PolarHBondContact OG-OD2 3Å; I699-D768 HydrophobicContact CD1-CB 3.76Å; R731-D768 PolarHBondContact O-N 2.88Å; V732-D768 HydrophobicContact CB-CB 4.36Å; V732-D768 HydrophobicContact CG1-CB 4.19Å; V732-D768 HydrophobicContact CG2-CB 4.28Å; D768-L770 PolarHBondContact O-N 3.44Å
769	E	87.6	Confident	89.1	Confident	42 Å²	42	41 Å²	41	20%	0.196	22%	0.217	C	C	.	.	S	Bend	trans	60.1	42.2	168.5	-57.8	-172.9	150	0	0	114.9	K695 R772 A801	K695-E769 IonicContact NZ-OE1 3.65Å; E769-R772 VanDerWaalsContact CG-NH2 3.32Å; E769-R772 WeakPolarHBondContact O-CG 3.44Å; E769-R772 IonicContact OE1-CZ 3.07Å; E769-R772 IonicContact OE1-NH1 2.69Å; E769-R772 PolarHBondContact OE1-NH1 3.18Å; E769-R772 IonicContact OE1-NH2 2.91Å; E769-R772 PolarHBondContact OE1-NH2 3.06Å; E769-R772 IonicContact OE2-CZ 3.33Å; E769-R772 IonicContact OE2-NE 2.63Å; E769-R772 IonicContact OE2-NH1 3.14Å; E769-R772 PolarHBondContact OE2-NH1 3.33Å; E769-R772 IonicContact OE2-NH2 2.84Å; E769-R772 PolarHBondContact OE2-NH2 3.17Å; E769-A801 PolarHBondContact N-O 2.97Å
770	L	87.3	Confident	88.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	142.9	175.6	-175.3	71.6	0	0	0	112.5	E748 M749 T752 I767 D768 A783 I786 F800 F804	E748-L770 HydrophobicContact CG-CD1 3.69Å; E748-L770 VanDerWaalsContact OE1-CA 3.28Å; E748-L770 WeakPolarHBondContact OE1-CA 3.48Å; E748-L770 WeakPolarHBondContact OE1-CD1 3.36Å; M749-L770 HydrophobicContact CE-CD1 4.07Å; T752-L770 HydrophobicContact CG2-CD1 4.19Å; T752-L770 HydrophobicContact CG2-CD2 4.03Å; T752-L770 VanDerWaalsContact OG1-CD1 3.23Å; T752-L770 WeakPolarHBondContact OG1-CD1 3.47Å; I767-L770 HydrophobicContact CG2-CB 3.65Å; I767-L770 HydrophobicContact CG2-CD2 4.27Å; D768-L770 PolarHBondContact O-N 3.44Å; L770-A783 HydrophobicContact CD2-CB 4.31Å; L770-A783 HydrophobicContact CG-CB 4.48Å; L770-I786 HydrophobicContact CD2-CB 4.39Å; L770-I786 HydrophobicContact CD2-CD1 3.89Å; L770-I786 HydrophobicContact CD2-CG2 4.25Å; L770-F800 HydrophobicContact CB-CZ 4.27Å; L770-F800 HydrophobicContact CD2-CE2 4.47Å; L770-F800 HydrophobicContact CD2-CZ 4.09Å; L770-F804 WeakPolarHBondContact O-CE2 2.94Å
771	G	82.4	Confident	88.6	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.01	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	13.5	172.3	0	0	0	0	0	114.9	E748 G779	E748-G771 PolarHBondContact OE1-N 2.6Å; G771-G779 WeakPolarHBondContact O-CA 3.31Å
772	R	81.9	Confident	88.5	Confident	94 Å²	94	40 Å²	40	36%	0.355	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-23.4	-175.7	-76.9	-171.5	170.7	-175.5	17.4	115.5	E769 T774 H803	E769-R772 VanDerWaalsContact CG-NH2 3.32Å; E769-R772 WeakPolarHBondContact O-CG 3.44Å; E769-R772 IonicContact OE1-CZ 3.07Å; E769-R772 IonicContact OE1-NH1 2.69Å; E769-R772 PolarHBondContact OE1-NH1 3.18Å; E769-R772 IonicContact OE1-NH2 2.91Å; E769-R772 PolarHBondContact OE1-NH2 3.06Å; E769-R772 IonicContact OE2-CZ 3.33Å; E769-R772 IonicContact OE2-NE 2.63Å; E769-R772 IonicContact OE2-NH1 3.14Å; E769-R772 PolarHBondContact OE2-NH1 3.33Å; E769-R772 IonicContact OE2-NH2 2.84Å; E769-R772 PolarHBondContact OE2-NH2 3.17Å; R772-T774 VanDerWaalsContact C-N 3.26Å; R772-T774 PolarHBondContact O-N 3.46Å; R772-H803 WeakPolarHBondContact CG-CE1 3.4Å; R772-H803 PolarHBondContact NE-CE1 2.93Å; R772-H803 PolarHBondContact NE-ND1 3.15Å; R772-H803 PolarHBondContact NH2-ND1 2.74Å
773	G	76.9	Confident	88.3	Confident	43 Å²	43	37.2 Å²	37.2	44%	0.443	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	7.7	-174.6	0	0	0	0	0	115.8
774	T	83.1	Confident	88.3	Confident	46 Å²	46	40.3 Å²	40.3	28%	0.282	22%	0.216	S	C	.	.	S	Bend	trans	-138.8	-176	-175.1	-165.9	0	0	0	0	112	F745 R772 E778	F745-T774 HydrophobicContact CD2-CG2 4.31Å; F745-T774 HydrophobicContact CE2-CG2 3.55Å; F745-T774 HydrophobicContact CZ-CG2 3.72Å; R772-T774 VanDerWaalsContact C-N 3.26Å; R772-T774 PolarHBondContact O-N 3.46Å; T774-E778 HydrophobicContact CG2-CB 4.3Å; T774-E778 PolarHBondContact OG1-OE2 3.32Å
775	S	84.8	Confident	88.2	Confident	59 Å²	59	43.7 Å²	43.7	41%	0.413	24%	0.239	S	C	.	.			trans	-56.9	140.8	176.2	77.6	0	0	0	0	111.1	Y777 E778 G779	S775-Y777 VanDerWaalsContact C-N 3.3Å; S775-Y777 PolarHBondContact O-N 3.38Å; S775-E778 PolarHBondContact O-N 3.11Å; S775-E778 VanDerWaalsContact O-N 3.17Å; S775-E778 VanDerWaalsContact OG-CB 3.25Å; S775-E778 WeakPolarHBondContact OG-CB 3.38Å; S775-E778 WeakPolarHBondContact OG-CG 3.4Å; S775-E778 PolarHBondContact OG-OE2 3.49Å; S775-G779 PolarHBondContact O-N 2.96Å
776	T	79.4	Confident	88.1	Confident	94 Å²	94	44.5 Å²	44.5	58%	0.577	24%	0.244	S	C	*	.	H	α-helix	trans	-55	-44	-169.6	-41.3	0	0	0	0	112.8	C780 F804	T776-C780 VanDerWaalsContact O-CB 3.26Å; T776-C780 WeakPolarHBondContact O-CB 3.4Å; T776-C780 PolarHBondContact O-N 3.16Å; T776-F804 HydrophobicContact CG2-CE1 3.91Å
777	Y	83.8	Confident	88.1	Confident	170 Å²	170	44.3 Å²	44.3	67%	0.667	24%	0.243	S	C	*	.	H	α-helix	trans	-72.8	-39.6	-179.1	-67.5	-69.9	0	0	0	113	S775 G781	S775-Y777 VanDerWaalsContact C-N 3.3Å; S775-Y777 PolarHBondContact O-N 3.38Å; Y777-G781 PolarHBondContact O-N 2.97Å
778	E	87.6	Confident	88.3	Confident	119 Å²	119	47.3 Å²	47.3	56%	0.556	26%	0.257	S	S	*	.	H	α-helix	trans	-67.1	-42.9	174.8	-68.3	173.9	147.1	0	0	110.9	T774 S775 G781 I782	T774-E778 HydrophobicContact CG2-CB 4.3Å; T774-E778 PolarHBondContact OG1-OE2 3.32Å; S775-E778 PolarHBondContact O-N 3.11Å; S775-E778 VanDerWaalsContact O-N 3.17Å; S775-E778 VanDerWaalsContact OG-CB 3.25Å; S775-E778 WeakPolarHBondContact OG-CB 3.38Å; S775-E778 WeakPolarHBondContact OG-CG 3.4Å; S775-E778 PolarHBondContact OG-OE2 3.49Å; E778-G781 PolarHBondContact O-N 2.91Å; E778-I782 WeakPolarHBondContact O-CB 3.38Å; E778-I782 VanDerWaalsContact O-CG1 3.25Å; E778-I782 WeakPolarHBondContact O-CG1 3.45Å; E778-I782 PolarHBondContact O-N 3.37Å
779	G	87.6	Confident	88.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60	-46.5	176.7	0	0	0	0	0	111.9	G771 S775 I782 A783	G771-G779 WeakPolarHBondContact O-CA 3.31Å; S775-G779 PolarHBondContact O-N 2.96Å; G779-I782 PolarHBondContact O-N 2.99Å; G779-A783 VanDerWaalsContact O-CB 3.31Å; G779-A783 WeakPolarHBondContact O-CB 3.3Å; G779-A783 PolarHBondContact O-N 3.49Å
780	C	88.8	Confident	88.9	Confident	15 Å²	15	48.5 Å²	48.5	10%	0.101	26%	0.262	C	S	.	.	H	α-helix	trans	-62.5	-44.5	174.2	-176.1	0	0	0	0	112	T776 I782 A783 W784 F804	T776-C780 VanDerWaalsContact O-CB 3.26Å; T776-C780 WeakPolarHBondContact O-CB 3.4Å; T776-C780 PolarHBondContact O-N 3.16Å; C780-I782 PolarHBondContact O-N 2.97Å; C780-A783 PolarHBondContact O-N 3.45Å; C780-W784 VanDerWaalsContact O-CB 3.29Å; C780-W784 WeakPolarHBondContact O-CB 3.17Å; C780-W784 PolarHBondContact O-N 2.9Å; C780-F804 HydrophobicContact CB-CD1 3.9Å; C780-F804 HydrophobicContact CB-CD2 4.24Å; C780-F804 HydrophobicContact CB-CE1 4.1Å; C780-F804 HydrophobicContact CB-CE2 4.4Å; C780-F804 HydrophobicContact CB-CG 3.98Å; C780-F804 HydrophobicContact CB-CZ 4.34Å
781	G	90.6	Very high	89.3	Confident	34 Å²	34	48.5 Å²	48.5	35%	0.351	26%	0.262	S	S	.	.	H	α-helix	trans	-63.4	-40.1	179.2	0	0	0	0	0	113.1	Y777 E778 S785	Y777-G781 PolarHBondContact O-N 2.97Å; E778-G781 PolarHBondContact O-N 2.91Å; G781-S785 WeakPolarHBondContact O-CB 3.38Å; G781-S785 PolarHBondContact O-N 2.82Å; G781-S785 PolarHBondContact O-OG 3.49Å
782	I	90.8	Very high	89.9	Confident	53 Å²	53	53.3 Å²	53.3	27%	0.272	28%	0.282	S	S	.	.	H	α-helix	trans	-64.8	-50.1	174.2	-69.7	166.1	0	0	0	110	F745 M749 E778 G779 C780 W784 S785 I786	F745-I782 HydrophobicContact CZ-CD1 4.01Å; M749-I782 HydrophobicContact CE-CG2 4.23Å; M749-I782 HydrophobicContact SD-CD1 4.49Å; M749-I782 HydrophobicContact SD-CG2 4.06Å; E778-I782 WeakPolarHBondContact O-CB 3.38Å; E778-I782 VanDerWaalsContact O-CG1 3.25Å; E778-I782 WeakPolarHBondContact O-CG1 3.45Å; E778-I782 PolarHBondContact O-N 3.37Å; G779-I782 PolarHBondContact O-N 2.99Å; C780-I782 PolarHBondContact O-N 2.97Å; I782-W784 VanDerWaalsContact C-N 3.34Å; I782-W784 PolarHBondContact O-N 3.44Å; I782-S785 PolarHBondContact O-N 3.36Å; I782-I786 HydrophobicContact CG2-CD1 3.57Å; I782-I786 HydrophobicContact CG2-CG1 4.49Å; I782-I786 WeakPolarHBondContact O-CD1 3.45Å; I782-I786 VanDerWaalsContact O-CG1 3.22Å; I782-I786 WeakPolarHBondContact O-CG1 3.48Å; I782-I786 PolarHBondContact O-N 2.91Å
783	A	92.7	Very high	90.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.5	-41.6	-179.7	0	0	0	0	0	112.3	L770 G779 C780 I786 A787 F800 F804 I807	L770-A783 HydrophobicContact CD2-CB 4.31Å; L770-A783 HydrophobicContact CG-CB 4.48Å; G779-A783 VanDerWaalsContact O-CB 3.31Å; G779-A783 WeakPolarHBondContact O-CB 3.3Å; G779-A783 PolarHBondContact O-N 3.49Å; C780-A783 PolarHBondContact O-N 3.45Å; A783-I786 PolarHBondContact O-N 3.14Å; A783-A787 WeakPolarHBondContact O-CB 3.35Å; A783-A787 PolarHBondContact O-N 2.95Å; A783-F800 HydrophobicContact CB-CZ 4.06Å; A783-F804 HydrophobicContact CB-CD2 4.26Å; A783-F804 HydrophobicContact CB-CE2 4.4Å; A783-I807 HydrophobicContact CB-CD1 3.55Å
784	W	94.9	Very high	91.5	Very high	65 Å²	65	53.5 Å²	53.5	25%	0.246	28%	0.277	C	S	.	.	H	α-helix	trans	-57.3	-53.9	172.5	-179.9	-71.7	0	0	0	111.5	C780 I782 I786 A787 E788 E806 I807 K809 L810	C780-W784 VanDerWaalsContact O-CB 3.29Å; C780-W784 WeakPolarHBondContact O-CB 3.17Å; C780-W784 PolarHBondContact O-N 2.9Å; I782-W784 VanDerWaalsContact C-N 3.34Å; I782-W784 PolarHBondContact O-N 3.44Å; W784-I786 PolarHBondContact O-N 3.46Å; W784-A787 PolarHBondContact O-N 2.85Å; W784-A787 VanDerWaalsContact O-N 3.17Å; W784-E788 WeakPolarHBondContact O-CB 3.49Å; W784-E788 PolarHBondContact O-N 2.81Å; W784-E806 VanDerWaalsContact CZ3-O 3.29Å; W784-E806 WeakPolarHBondContact CZ3-O 3.3Å; W784-I807 HydrophobicContact CB-CG1 4.5Å; W784-I807 HydrophobicContact CE3-CB 4.45Å; W784-I807 HydrophobicContact CE3-CG1 4.36Å; W784-K809 HydrophobicContact CH2-CB 3.8Å; W784-K809 HydrophobicContact CZ3-CB 3.96Å; W784-L810 HydrophobicContact CH2-CB 4.03Å; W784-L810 HydrophobicContact CH2-CD1 4.49Å; W784-L810 VanDerWaalsContact CH2-N 3.35Å; W784-L810 HydrophobicContact CZ2-CB 4.16Å; W784-L810 HydrophobicContact CZ2-CD1 3.79Å; W784-L810 HydrophobicContact CZ3-CB 4.35Å
785	S	94.6	Very high	92	Very high	71 Å²	71	56.2 Å²	56.2	50%	0.497	29%	0.285	S	S	.	.	H	α-helix	trans	-60	-36.5	-176.2	-57.9	0	0	0	0	111.8	G781 I782 H789	G781-S785 WeakPolarHBondContact O-CB 3.38Å; G781-S785 PolarHBondContact O-N 2.82Å; G781-S785 PolarHBondContact O-OG 3.49Å; I782-S785 PolarHBondContact O-N 3.36Å; S785-H789 WeakPolarHBondContact O-CB 3.34Å; S785-H789 PolarHBondContact O-N 3.09Å
786	I	95.1	Very high	92.6	Very high	18 Å²	18	53.4 Å²	53.4	9%	0.092	27%	0.265	C	S	.	.	H	α-helix	trans	-73	-43.8	178.5	-66.4	170.1	0	0	0	110.8	T752 I756 I767 L770 I782 A783 W784 E788 H789 L790	T752-I786 HydrophobicContact CG2-CD1 3.7Å; T752-I786 HydrophobicContact CG2-CG2 3.88Å; I756-I786 HydrophobicContact CD1-CB 4.44Å; I756-I786 HydrophobicContact CD1-CD1 4.26Å; I756-I786 HydrophobicContact CD1-CG1 3.83Å; I756-I786 HydrophobicContact CD1-CG2 4.02Å; I756-I786 HydrophobicContact CG1-CG2 4.32Å; I767-I786 HydrophobicContact CD1-CG2 4.43Å; L770-I786 HydrophobicContact CD2-CB 4.39Å; L770-I786 HydrophobicContact CD2-CD1 3.89Å; L770-I786 HydrophobicContact CD2-CG2 4.25Å; I782-I786 HydrophobicContact CG2-CD1 3.57Å; I782-I786 HydrophobicContact CG2-CG1 4.49Å; I782-I786 WeakPolarHBondContact O-CD1 3.45Å; I782-I786 VanDerWaalsContact O-CG1 3.22Å; I782-I786 WeakPolarHBondContact O-CG1 3.48Å; I782-I786 PolarHBondContact O-N 2.91Å; A783-I786 PolarHBondContact O-N 3.14Å; W784-I786 PolarHBondContact O-N 3.46Å; I786-E788 VanDerWaalsContact C-N 3.34Å; I786-E788 PolarHBondContact O-N 2.83Å; I786-H789 PolarHBondContact O-N 2.93Å; I786-L790 HydrophobicContact CG2-CD1 4.09Å; I786-L790 WeakPolarHBondContact O-CG 3.37Å; I786-L790 PolarHBondContact O-N 3.41Å
787	A	96	Very high	93.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.9	-46.4	173.6	0	0	0	0	0	111.1	M684 A783 W784 H789 L790 A791 F800 L810	M684-A787 HydrophobicContact CE-CB 4.31Å; M684-A787 WeakPolarHBondContact CE-O 3.2Å; M684-A787 HydrophobicContact SD-CB 4.11Å; A783-A787 WeakPolarHBondContact O-CB 3.35Å; A783-A787 PolarHBondContact O-N 2.95Å; W784-A787 PolarHBondContact O-N 2.85Å; W784-A787 VanDerWaalsContact O-N 3.17Å; A787-H789 PolarHBondContact O-N 3.43Å; A787-L790 PolarHBondContact O-N 3.42Å; A787-A791 WeakPolarHBondContact O-CB 3.49Å; A787-A791 PolarHBondContact O-N 2.87Å; A787-F800 HydrophobicContact CB-CD2 3.89Å; A787-F800 HydrophobicContact CB-CE2 3.73Å; A787-F800 HydrophobicContact CB-CZ 4.39Å; A787-L810 HydrophobicContact CB-CD2 3.74Å
788	E	96.4	Very high	94.1	Very high	64 Å²	64	41.1 Å²	41.1	30%	0.299	21%	0.207	S	C	.	.	H	α-helix	trans	-59.4	-47.4	176.6	-174.6	178.4	-174.1	0	0	111.5	W784 I786 L790 A791 K792 L810 L814	W784-E788 WeakPolarHBondContact O-CB 3.49Å; W784-E788 PolarHBondContact O-N 2.81Å; I786-E788 VanDerWaalsContact C-N 3.34Å; I786-E788 PolarHBondContact O-N 2.83Å; E788-L790 PolarHBondContact O-N 2.97Å; E788-A791 PolarHBondContact O-N 3.48Å; E788-K792 HydrophobicContact CG-CD 4.48Å; E788-K792 WeakPolarHBondContact O-CB 3.36Å; E788-K792 PolarHBondContact O-N 3.41Å; E788-K792 IonicContact OE1-NZ 3.51Å; E788-L810 HydrophobicContact CB-CD1 4.06Å; E788-L810 HydrophobicContact CG-CD1 4.26Å; E788-L814 HydrophobicContact CG-CD1 4.38Å
789	H	96.7	Very high	94.6	Very high	72 Å²	72	35.5 Å²	35.5	33%	0.333	18%	0.181	S	C	.	.	H	α-helix	trans	-58.5	-48.5	178.1	-176.5	81.3	0	0	0	112.3	S785 I786 A787 A791 E793 T794	S785-H789 WeakPolarHBondContact O-CB 3.34Å; S785-H789 PolarHBondContact O-N 3.09Å; I786-H789 PolarHBondContact O-N 2.93Å; A787-H789 PolarHBondContact O-N 3.43Å; H789-A791 PolarHBondContact O-N 3.17Å; H789-E793 WeakPolarHBondContact O-CA 3.45Å; H789-E793 WeakPolarHBondContact O-CB 3.42Å; H789-E793 PolarHBondContact O-N 3.4Å; H789-T794 PolarHBondContact O-N 2.91Å; H789-T794 VanDerWaalsContact O-N 3.11Å
790	L	96.5	Very high	95	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	I	π-helix	trans	-65.3	-38	-179.7	-69.5	173.7	0	0	0	112.4	M684 A759 V765 I767 I786 A787 E788 K795 T798	M684-L790 HydrophobicContact CE-CB 3.84Å; A759-L790 HydrophobicContact CB-CD2 4.36Å; V765-L790 HydrophobicContact CG1-CD1 3.99Å; I767-L790 HydrophobicContact CD1-CD1 3.61Å; I786-L790 HydrophobicContact CG2-CD1 4.09Å; I786-L790 WeakPolarHBondContact O-CG 3.37Å; I786-L790 PolarHBondContact O-N 3.41Å; A787-L790 PolarHBondContact O-N 3.42Å; E788-L790 PolarHBondContact O-N 2.97Å; L790-K795 WeakPolarHBondContact O-CA 3.37Å; L790-K795 PolarHBondContact O-N 2.93Å; L790-T798 HydrophobicContact CD1-CG2 4.3Å
791	A	95.6	Very high	95.3	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	18%	0.176	C	C	.	.	I	π-helix	trans	-73.7	-42.1	179.3	0	0	0	0	0	112.5	N683 M684 A787 E788 H789 L814 V817	N683-A791 PolarHBondContact ND2-O 2.86Å; M684-A791 HydrophobicContact CB-CB 4.41Å; M684-A791 HydrophobicContact CE-CB 3.81Å; M684-A791 HydrophobicContact SD-CB 4.05Å; A787-A791 WeakPolarHBondContact O-CB 3.49Å; A787-A791 PolarHBondContact O-N 2.87Å; E788-A791 PolarHBondContact O-N 3.48Å; H789-A791 PolarHBondContact O-N 3.17Å; A791-L814 HydrophobicContact CB-CD1 3.86Å; A791-V817 HydrophobicContact CB-CG2 3.64Å
792	K	94.9	Very high	95.3	Very high	101 Å²	101	33.1 Å²	33.1	44%	0.439	16%	0.159	S	C	.	.	I	π-helix	trans	-95.3	-48.7	-168.8	-172.4	-179.1	-179.7	178.4	0	113.5	E788 K795 L814	E788-K792 HydrophobicContact CG-CD 4.48Å; E788-K792 WeakPolarHBondContact O-CB 3.36Å; E788-K792 PolarHBondContact O-N 3.41Å; E788-K792 IonicContact OE1-NZ 3.51Å; K792-K795 WeakPolarHBondContact O-CE 3.4Å; K792-K795 WeakPolarHBondContact O-CG 3.44Å; K792-L814 HydrophobicContact CB-CD1 4.28Å; K792-L814 HydrophobicContact CD-CD2 4.4Å; K792-L814 HydrophobicContact CG-CD2 4.45Å
793	E	95.5	Very high	95.1	Very high	125 Å²	125	34.3 Å²	34.3	58%	0.584	16%	0.164	S	C	*	.	I	π-helix	trans	-87.4	-57.2	-175.3	-57.7	-59.6	149.7	0	0	110.5	H789	H789-E793 WeakPolarHBondContact O-CA 3.45Å; H789-E793 WeakPolarHBondContact O-CB 3.42Å; H789-E793 PolarHBondContact O-N 3.4Å
794	T	95.6	Very high	94.9	Very high	17 Å²	17	34.7 Å²	34.7	10%	0.104	17%	0.165	C	C	.	.	I	π-helix	trans	-72.9	-42.2	-177.8	-43.3	0	0	0	0	112.2	A759 D761 H789 C796	A759-T794 HydrophobicContact CB-CG2 3.87Å; A759-T794 WeakPolarHBondContact O-CG2 3.49Å; D761-T794 VanDerWaalsContact CA-O 3.23Å; D761-T794 WeakPolarHBondContact CA-O 3.47Å; D761-T794 VanDerWaalsContact CB-O 3.31Å; D761-T794 WeakPolarHBondContact CB-O 3.5Å; D761-T794 PolarHBondContact N-O 3.26Å; H789-T794 PolarHBondContact O-N 2.91Å; H789-T794 VanDerWaalsContact O-N 3.11Å; T794-C796 HydrophobicContact CG2-CB 3.95Å; T794-C796 PolarHBondContact O-N 2.87Å
795	K	95.4	Very high	94.4	Very high	102 Å²	102	36.3 Å²	36.3	44%	0.443	18%	0.175	S	C	.	.			trans	58.9	28.4	-176.3	-48.9	179.8	179.9	178.3	0	114.2	R650 N683 L790 K792	R650-K795 PolarHBondContact NH2-O 3.36Å; N683-K795 WeakPolarHBondContact ND2-CA 3.45Å; L790-K795 WeakPolarHBondContact O-CA 3.37Å; L790-K795 PolarHBondContact O-N 2.93Å; K792-K795 WeakPolarHBondContact O-CE 3.4Å; K792-K795 WeakPolarHBondContact O-CG 3.44Å
796	C	95.8	Very high	94.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.17	C	C	.	.			trans	-71.6	166.2	177	66.7	0	0	0	0	112.5	T760 S763 V765 T794 T798	T760-C796 WeakPolarHBondContact O-CB 3.4Å; S763-C796 WeakPolarHBondContact O-CB 3.37Å; V765-C796 HydrophobicContact CG2-CB 4.4Å; V765-C796 VanDerWaalsContact CG2-SG 3.53Å; T794-C796 HydrophobicContact CG2-CB 3.95Å; T794-C796 PolarHBondContact O-N 2.87Å; C796-T798 PolarHBondContact O-N 2.99Å; C796-T798 PolarHBondContact O-OG1 2.93Å; C796-T798 PolarHBondContact SG-OG1 3.02Å
797	F	97.7	Very high	93.9	Very high	7 Å²	7	35.9 Å²	35.9	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	116.4	168.7	-57.1	-65.6	0	0	0	109	R650 L652 F677 N683 V725 S763 L764 V765	R650-F797 VanDerWaalsContact C-CZ 3.49Å; R650-F797 HydrophobicContact CB-CZ 4.39Å; L652-F797 HydrophobicContact CB-CD1 4.39Å; L652-F797 HydrophobicContact CB-CE1 4.06Å; L652-F797 HydrophobicContact CB-CZ 4.11Å; F677-F797 HydrophobicContact CB-CD1 3.55Å; F677-F797 HydrophobicContact CB-CE1 3.66Å; F677-F797 HydrophobicContact CD1-CD1 4.05Å; F677-F797 HydrophobicContact CD2-CD1 4.16Å; F677-F797 HydrophobicContact CE2-CB 4.46Å; F677-F797 AromaticContact CG-CD1 3.68Å; F677-F797 HydrophobicContact CG-CD1 3.68Å; F677-F797 HydrophobicContact CG-CE1 4.31Å; F677-F797 HydrophobicContact CZ-CB 4.45Å; N683-F797 CarbonylContact O-C 3.57Å; N683-F797 WeakPolarHBondContact O-CA 3.3Å; V725-F797 HydrophobicContact CG1-CD2 4.38Å; V725-F797 HydrophobicContact CG1-CE2 4.34Å; S763-F797 PolarHBondContact O-N 2.87Å; L764-F797 CarbonylContact C-O 3.58Å; L764-F797 WeakPolarHBondContact CA-O 3.48Å; L764-F797 HydrophobicContact CD1-CB 3.86Å; V765-F797 PolarHBondContact N-O 2.83Å
798	T	97.5	Very high	93.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127	-176.2	-50.1	0	0	0	0	112.1	F677 N683 M684 F685 V765 L790 C796 F800	F677-T798 WeakPolarHBondContact CZ-O 3.31Å; N683-T798 PolarHBondContact O-N 2.99Å; M684-T798 CarbonylContact C-O 3.58Å; M684-T798 WeakPolarHBondContact CA-O 3.43Å; M684-T798 HydrophobicContact CE-CG2 3.49Å; M684-T798 VanDerWaalsContact CE-CG2 3.49Å; M684-T798 HydrophobicContact CG-CG2 4.24Å; F685-T798 PolarHBondContact N-O 3.45Å; V765-T798 HydrophobicContact CB-CG2 4.38Å; V765-T798 HydrophobicContact CG1-CG2 4.33Å; V765-T798 WeakPolarHBondContact O-CA 3.41Å; L790-T798 HydrophobicContact CD1-CG2 4.3Å; C796-T798 PolarHBondContact O-N 2.99Å; C796-T798 PolarHBondContact O-OG1 2.93Å; C796-T798 PolarHBondContact SG-OG1 3.02Å; T798-F800 HydrophobicContact CG2-CB 4.34Å; T798-F800 HydrophobicContact CG2-CD2 4.5Å
799	L	97.5	Very high	93.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	107.7	166.4	-64.8	169.3	0	0	0	108.1	V675 F677 F685 I687 Y698 I699 V702 V765 I767	V675-L799 HydrophobicContact CG2-CD2 4.26Å; F677-L799 HydrophobicContact CE2-CD2 3.99Å; F677-L799 HydrophobicContact CE2-CG 4.3Å; F677-L799 HydrophobicContact CZ-CD2 3.7Å; F677-L799 HydrophobicContact CZ-CG 4.03Å; F685-L799 HydrophobicContact CB-CD2 4.16Å; F685-L799 HydrophobicContact CD2-CD2 4.14Å; I687-L799 HydrophobicContact CD1-CB 4.17Å; I687-L799 HydrophobicContact CD1-CD2 4.16Å; Y698-L799 HydrophobicContact CE1-CD2 4.49Å; I699-L799 HydrophobicContact CB-CB 4.17Å; I699-L799 HydrophobicContact CB-CD1 4.19Å; I699-L799 HydrophobicContact CG2-CB 3.78Å; I699-L799 HydrophobicContact CG2-CD1 4.33Å; V702-L799 HydrophobicContact CB-CD1 3.66Å; V702-L799 HydrophobicContact CG1-CD1 3.77Å; V702-L799 HydrophobicContact CG2-CD1 4Å; V765-L799 PolarHBondContact O-N 3.17Å; I767-L799 PolarHBondContact N-O 2.7Å
800	F	96.4	Very high	93.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	92.5	-174.7	-157.4	-62.8	0	0	0	110.2	F685 I686 I687 I767 L770 A783 A787 T798 T802 I807	F685-F800 PolarHBondContact O-N 3.12Å; I686-F800 WeakPolarHBondContact CA-O 3.4Å; I687-F800 PolarHBondContact N-O 3.3Å; I767-F800 HydrophobicContact CB-CD2 4.1Å; I767-F800 HydrophobicContact CB-CE2 4.27Å; I767-F800 HydrophobicContact CB-CG 4.33Å; I767-F800 HydrophobicContact CD1-CD2 3.8Å; I767-F800 HydrophobicContact CD1-CE2 3.69Å; I767-F800 HydrophobicContact CG2-CD1 4.38Å; I767-F800 HydrophobicContact CG2-CD2 4.17Å; I767-F800 HydrophobicContact CG2-CE1 4.11Å; I767-F800 HydrophobicContact CG2-CE2 3.9Å; I767-F800 HydrophobicContact CG2-CG 4.4Å; I767-F800 HydrophobicContact CG2-CZ 3.87Å; L770-F800 HydrophobicContact CB-CZ 4.27Å; L770-F800 HydrophobicContact CD2-CE2 4.47Å; L770-F800 HydrophobicContact CD2-CZ 4.09Å; A783-F800 HydrophobicContact CB-CZ 4.06Å; A787-F800 HydrophobicContact CB-CD2 3.89Å; A787-F800 HydrophobicContact CB-CE2 3.73Å; A787-F800 HydrophobicContact CB-CZ 4.39Å; T798-F800 HydrophobicContact CG2-CB 4.34Å; T798-F800 HydrophobicContact CG2-CD2 4.5Å; F800-T802 HydrophobicContact CD1-CG2 4.46Å; F800-I807 HydrophobicContact CE1-CD1 4.35Å
801	A	94.3	Very high	93.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	125.3	173.2	0	0	0	0	0	110.7	I687 K695 I699 I767 E769	I687-A801 HydrophobicContact CB-CB 4.38Å; I687-A801 WeakPolarHBondContact O-CA 3.45Å; K695-A801 HydrophobicContact CB-CB 4.19Å; I699-A801 HydrophobicContact CD1-CB 4.03Å; I699-A801 HydrophobicContact CG2-CB 4.46Å; I767-A801 PolarHBondContact O-N 3.07Å; E769-A801 PolarHBondContact N-O 2.97Å
802	T	91.4	Very high	92.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.198	C	C	.	.			trans	-142.1	163.4	-176.5	-169.5	0	0	0	0	112.8	I686 I687 T688 F800 F804	I686-T802 HydrophobicContact CG2-CG2 4.01Å; I687-T802 PolarHBondContact O-N 3.32Å; T688-T802 HydrophobicContact CG2-CG2 4.23Å; F800-T802 HydrophobicContact CD1-CG2 4.46Å; T802-F804 WeakPolarHBondContact CG2-O 3.38Å; T802-F804 PolarHBondContact OG1-N 2.75Å
803	H	86.9	Confident	92.6	Very high	78 Å²	78	41.5 Å²	41.5	36%	0.361	20%	0.203	S	C	.	.	S	Bend	trans	-108.2	-13.1	168.3	62.2	-54.2	0	0	0	112.7	R772 H805	R772-H803 WeakPolarHBondContact CG-CE1 3.4Å; R772-H803 PolarHBondContact NE-CE1 2.93Å; R772-H803 PolarHBondContact NE-ND1 3.15Å; R772-H803 PolarHBondContact NH2-ND1 2.74Å; H803-H805 PolarHBondContact O-N 3.39Å
804	F	88.6	Confident	92.6	Very high	7 Å²	7	37 Å²	37	3%	0.031	18%	0.182	C	C	.	.			trans	-75.5	108.2	174.1	-61.1	-55.2	0	0	0	108.6	L770 T776 C780 A783 T802 E806 I807	L770-F804 WeakPolarHBondContact O-CE2 2.94Å; T776-F804 HydrophobicContact CG2-CE1 3.91Å; C780-F804 HydrophobicContact CB-CD1 3.9Å; C780-F804 HydrophobicContact CB-CD2 4.24Å; C780-F804 HydrophobicContact CB-CE1 4.1Å; C780-F804 HydrophobicContact CB-CE2 4.4Å; C780-F804 HydrophobicContact CB-CG 3.98Å; C780-F804 HydrophobicContact CB-CZ 4.34Å; A783-F804 HydrophobicContact CB-CD2 4.26Å; A783-F804 HydrophobicContact CB-CE2 4.4Å; T802-F804 WeakPolarHBondContact CG2-O 3.38Å; T802-F804 PolarHBondContact OG1-N 2.75Å; F804-E806 WeakPolarHBondContact CA-OE2 3.45Å; F804-E806 PolarHBondContact O-N 3.16Å; F804-I807 HydrophobicContact CB-CD1 3.77Å; F804-I807 HydrophobicContact CB-CG1 3.86Å; F804-I807 HydrophobicContact CD2-CD1 3.93Å; F804-I807 HydrophobicContact CG-CD1 4.31Å
805	H	85.1	Confident	92.5	Very high	99 Å²	99	41.3 Å²	41.3	46%	0.458	21%	0.213	S	C	.	.	S	Bend	trans	-69.3	-29.1	178.5	-175.9	85.2	0	0	0	110.9	H803 I807 T808 V841 M842	H803-H805 PolarHBondContact O-N 3.39Å; H805-I807 PolarHBondContact O-N 2.96Å; H805-T808 VanDerWaalsContact O-CB 3.3Å; H805-T808 WeakPolarHBondContact O-CB 3.32Å; H805-T808 VanDerWaalsContact O-CG2 3.27Å; H805-T808 WeakPolarHBondContact O-CG2 3.42Å; H805-T808 PolarHBondContact O-N 2.67Å; H805-T808 PolarHBondContact O-OG1 2.7Å; H805-V841 WeakPolarHBondContact CE1-CG1 3.25Å; H805-M842 PolarHBondContact CE1-O 2.88Å
806	E	87	Confident	92.5	Very high	81 Å²	81	37.8 Å²	37.8	38%	0.379	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-54.3	-42.6	178.9	-60.7	81.8	175.5	0	0	111.1	W784 F804 T808 K809	W784-E806 VanDerWaalsContact CZ3-O 3.29Å; W784-E806 WeakPolarHBondContact CZ3-O 3.3Å; F804-E806 WeakPolarHBondContact CA-OE2 3.45Å; F804-E806 PolarHBondContact O-N 3.16Å; E806-T808 PolarHBondContact O-N 2.75Å; E806-K809 WeakPolarHBondContact O-CB 3.46Å; E806-K809 WeakPolarHBondContact O-CG 3.32Å; E806-K809 PolarHBondContact O-N 2.96Å; E806-K809 VanDerWaalsContact O-N 3.07Å
807	I	90.9	Very high	92.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-57.5	-25.1	-179.1	-60.6	179.4	0	0	0	112.6	I686 A783 W784 F800 F804 H805 K809 L810	I686-I807 HydrophobicContact CD1-CG2 3.98Å; I686-I807 WeakPolarHBondContact CD1-O 3.48Å; I686-I807 HydrophobicContact CG1-CG2 4.47Å; I686-I807 HydrophobicContact CG2-CG2 4.47Å; A783-I807 HydrophobicContact CB-CD1 3.55Å; W784-I807 HydrophobicContact CB-CG1 4.5Å; W784-I807 HydrophobicContact CE3-CB 4.45Å; W784-I807 HydrophobicContact CE3-CG1 4.36Å; F800-I807 HydrophobicContact CE1-CD1 4.35Å; F804-I807 HydrophobicContact CB-CD1 3.77Å; F804-I807 HydrophobicContact CB-CG1 3.86Å; F804-I807 HydrophobicContact CD2-CD1 3.93Å; F804-I807 HydrophobicContact CG-CD1 4.31Å; H805-I807 PolarHBondContact O-N 2.96Å; I807-K809 PolarHBondContact O-N 3.49Å; I807-K809 VanDerWaalsContact O-N 3.14Å; I807-L810 WeakPolarHBondContact O-CB 3.43Å; I807-L810 PolarHBondContact O-N 2.67Å
808	T	91.1	Very high	92.5	Very high	6 Å²	6	41.6 Å²	41.6	4%	0.037	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-61.8	-23.5	179	67.5	0	0	0	0	113	I686 T688 H805 E806 L810 A811 N819 V841	I686-T808 HydrophobicContact CG2-CG2 4.17Å; T688-T808 HydrophobicContact CG2-CG2 3.62Å; H805-T808 VanDerWaalsContact O-CB 3.3Å; H805-T808 WeakPolarHBondContact O-CB 3.32Å; H805-T808 VanDerWaalsContact O-CG2 3.27Å; H805-T808 WeakPolarHBondContact O-CG2 3.42Å; H805-T808 PolarHBondContact O-N 2.67Å; H805-T808 PolarHBondContact O-OG1 2.7Å; E806-T808 PolarHBondContact O-N 2.75Å; T808-L810 PolarHBondContact O-N 3.16Å; T808-A811 PolarHBondContact O-N 2.78Å; T808-N819 WeakPolarHBondContact CA-OD1 3.47Å; T808-N819 PolarHBondContact O-ND2 3.47Å; T808-V841 HydrophobicContact CG2-CG1 3.78Å; T808-V841 HydrophobicContact CG2-CG2 4.25Å
809	K	91.4	Very high	92.5	Very high	93 Å²	93	42.8 Å²	42.8	40%	0.404	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-64.5	-16.6	173.5	-63.8	179	179	-179.6	0	113.1	W784 E806 I807 A811 E812	W784-K809 HydrophobicContact CH2-CB 3.8Å; W784-K809 HydrophobicContact CZ3-CB 3.96Å; E806-K809 WeakPolarHBondContact O-CB 3.46Å; E806-K809 WeakPolarHBondContact O-CG 3.32Å; E806-K809 PolarHBondContact O-N 2.96Å; E806-K809 VanDerWaalsContact O-N 3.07Å; I807-K809 PolarHBondContact O-N 3.49Å; I807-K809 VanDerWaalsContact O-N 3.14Å; K809-A811 PolarHBondContact O-N 3.2Å; K809-E812 VanDerWaalsContact O-CB 3.28Å; K809-E812 WeakPolarHBondContact O-CB 3.45Å; K809-E812 PolarHBondContact O-N 3.45Å
810	L	92.8	Very high	92.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-27	174.9	-171.7	66.8	0	0	0	112.2	M684 I686 W784 A787 E788 I807 T808 E812 T813 L814 V817	M684-L810 HydrophobicContact SD-CD2 4.38Å; I686-L810 HydrophobicContact CD1-CB 4.02Å; I686-L810 HydrophobicContact CD1-CD2 4.37Å; W784-L810 HydrophobicContact CH2-CB 4.03Å; W784-L810 HydrophobicContact CH2-CD1 4.49Å; W784-L810 VanDerWaalsContact CH2-N 3.35Å; W784-L810 HydrophobicContact CZ2-CB 4.16Å; W784-L810 HydrophobicContact CZ2-CD1 3.79Å; W784-L810 HydrophobicContact CZ3-CB 4.35Å; A787-L810 HydrophobicContact CB-CD2 3.74Å; E788-L810 HydrophobicContact CB-CD1 4.06Å; E788-L810 HydrophobicContact CG-CD1 4.26Å; I807-L810 WeakPolarHBondContact O-CB 3.43Å; I807-L810 PolarHBondContact O-N 2.67Å; T808-L810 PolarHBondContact O-N 3.16Å; L810-E812 PolarHBondContact O-N 3.38Å; L810-T813 PolarHBondContact O-N 3.49Å; L810-T813 PolarHBondContact O-OG1 2.96Å; L810-T813 VanDerWaalsContact O-OG1 3.1Å; L810-L814 HydrophobicContact CD1-CD1 3.82Å; L810-L814 HydrophobicContact CD1-CG 4.3Å; L810-L814 HydrophobicContact CG-CD1 4.1Å; L810-L814 PolarHBondContact O-N 2.86Å; L810-V817 HydrophobicContact CD2-CG2 4.45Å; L810-V817 HydrophobicContact CG-CG2 4.41Å
811	A	93.2	Very high	92.2	Very high	26 Å²	26	44.6 Å²	44.6	22%	0.215	23%	0.233	C	C	.	.	H	α-helix	trans	-70.4	-17.5	174	0	0	0	0	0	113.5	T808 K809 V817 N819	T808-A811 PolarHBondContact O-N 2.78Å; K809-A811 PolarHBondContact O-N 3.2Å; A811-V817 HydrophobicContact CB-CB 4.45Å; A811-V817 HydrophobicContact CB-CG1 4.2Å; A811-V817 WeakPolarHBondContact CB-O 3.45Å; A811-N819 VanDerWaalsContact CB-ND2 3.34Å; A811-N819 WeakPolarHBondContact CB-ND2 3.32Å
812	E	90.8	Very high	92.2	Very high	143 Å²	143	44.7 Å²	44.7	67%	0.668	23%	0.233	S	C	*	.	H	α-helix	trans	-77.9	-34.4	175	-57.5	173.8	176	0	0	110.5	K809 L810	K809-E812 VanDerWaalsContact O-CB 3.28Å; K809-E812 WeakPolarHBondContact O-CB 3.45Å; K809-E812 PolarHBondContact O-N 3.45Å; L810-E812 PolarHBondContact O-N 3.38Å
813	T	90.7	Very high	92	Very high	88 Å²	88	44.9 Å²	44.9	54%	0.54	24%	0.235	S	C	.	.	H	α-helix	trans	-90.5	-30.3	-178.3	58.4	0	0	0	0	113.6	L810	L810-T813 PolarHBondContact O-N 3.49Å; L810-T813 PolarHBondContact O-OG1 2.96Å; L810-T813 VanDerWaalsContact O-OG1 3.1Å
814	L	93.9	Very high	92	Very high	29 Å²	29	42.2 Å²	42.2	15%	0.152	23%	0.226	C	C	.	.			trans	-119.8	110	-178.3	-62.8	179.3	0	0	0	111.2	E788 A791 K792 L810 T816 V817	E788-L814 HydrophobicContact CG-CD1 4.38Å; A791-L814 HydrophobicContact CB-CD1 3.86Å; K792-L814 HydrophobicContact CB-CD1 4.28Å; K792-L814 HydrophobicContact CD-CD2 4.4Å; K792-L814 HydrophobicContact CG-CD2 4.45Å; L810-L814 HydrophobicContact CD1-CD1 3.82Å; L810-L814 HydrophobicContact CD1-CG 4.3Å; L810-L814 HydrophobicContact CG-CD1 4.1Å; L810-L814 PolarHBondContact O-N 2.86Å; L814-T816 PolarHBondContact O-N 3.22Å; L814-T816 VanDerWaalsContact O-N 3.12Å; L814-V817 HydrophobicContact CB-CB 4.27Å; L814-V817 HydrophobicContact CB-CG2 3.63Å; L814-V817 HydrophobicContact CD1-CG2 4.03Å; L814-V817 HydrophobicContact CG-CG2 4.49Å; L814-V817 WeakPolarHBondContact O-CB 3.34Å; L814-V817 PolarHBondContact O-N 3.5Å
815	S	93.4	Very high	91.7	Very high	108 Å²	108	45.8 Å²	45.8	76%	0.755	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.5	-177.8	58.9	0	0	0	0	114.9	V817	S815-V817 VanDerWaalsContact C-N 3.3Å
816	T	95.2	Very high	91	Very high	29 Å²	29	42.7 Å²	42.7	18%	0.178	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-4.1	177.9	64.1	0	0	0	0	113.3	C682 N683 M684 L814	C682-T816 VanDerWaalsContact CA-O 3.31Å; C682-T816 WeakPolarHBondContact CA-O 3.27Å; N683-T816 PolarHBondContact N-O 2.9Å; N683-T816 VanDerWaalsContact OD1-CB 3.25Å; N683-T816 WeakPolarHBondContact OD1-CB 3.36Å; N683-T816 PolarHBondContact OD1-O 2.99Å; N683-T816 VanDerWaalsContact OD1-O 3.07Å; N683-T816 PolarHBondContact OD1-OG1 2.9Å; M684-T816 PolarHBondContact N-O 2.89Å; L814-T816 PolarHBondContact O-N 3.22Å; L814-T816 VanDerWaalsContact O-N 3.12Å
817	V	97.3	Very high	90.3	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.03	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.5	177.6	-178.7	0	0	0	0	108.6	M684 I686 A791 L810 A811 L814 S815	M684-V817 HydrophobicContact CB-CG1 4.37Å; M684-V817 HydrophobicContact CB-CG2 4.13Å; M684-V817 HydrophobicContact CG-CG1 4.25Å; M684-V817 WeakPolarHBondContact O-CA 3.42Å; M684-V817 HydrophobicContact SD-CG1 4.3Å; M684-V817 HydrophobicContact SD-CG2 4.35Å; I686-V817 HydrophobicContact CD1-CG1 3.42Å; I686-V817 VanDerWaalsContact CD1-CG1 3.42Å; I686-V817 HydrophobicContact CG1-CG1 3.87Å; A791-V817 HydrophobicContact CB-CG2 3.64Å; L810-V817 HydrophobicContact CD2-CG2 4.45Å; L810-V817 HydrophobicContact CG-CG2 4.41Å; A811-V817 HydrophobicContact CB-CB 4.45Å; A811-V817 HydrophobicContact CB-CG1 4.2Å; A811-V817 WeakPolarHBondContact CB-O 3.45Å; L814-V817 HydrophobicContact CB-CB 4.27Å; L814-V817 HydrophobicContact CB-CG2 3.63Å; L814-V817 HydrophobicContact CD1-CG2 4.03Å; L814-V817 HydrophobicContact CG-CG2 4.49Å; L814-V817 WeakPolarHBondContact O-CB 3.34Å; L814-V817 PolarHBondContact O-N 3.5Å; S815-V817 VanDerWaalsContact C-N 3.3Å
818	K	97.1	Very high	89.2	Confident	81 Å²	81	47.7 Å²	47.7	35%	0.352	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.3	178.8	-66.8	-173.8	-176.5	172.6	0	111.1	C682 M684 F685 I686	C682-K818 HydrophobicContact CB-CD 3.95Å; C682-K818 HydrophobicContact CB-CG 4.41Å; M684-K818 PolarHBondContact O-N 2.92Å; F685-K818 CarbonylContact C-O 3.49Å; F685-K818 VanDerWaalsContact CA-O 3.31Å; F685-K818 WeakPolarHBondContact CA-O 3.05Å; F685-K818 HydrophobicContact CD1-CB 3.79Å; F685-K818 HydrophobicContact CE1-CB 3.78Å; F685-K818 HydrophobicContact CE1-CD 4.12Å; I686-K818 PolarHBondContact N-O 2.97Å
819	N	96.8	Very high	88	Confident	26 Å²	26	54.4 Å²	54.4	14%	0.139	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	137.7	173.4	-71.6	-40.7	0	0	0	111.3	I686 T808 A811 G840 V841	I686-N819 WeakPolarHBondContact CB-OD1 3.3Å; T808-N819 WeakPolarHBondContact CA-OD1 3.47Å; T808-N819 PolarHBondContact O-ND2 3.47Å; A811-N819 VanDerWaalsContact CB-ND2 3.34Å; A811-N819 WeakPolarHBondContact CB-ND2 3.32Å; N819-G840 PolarHBondContact O-N 2.96Å; N819-V841 HydrophobicContact CB-CG2 3.76Å; N819-V841 WeakPolarHBondContact ND2-CG2 3.28Å
820	C	95.6	Very high	87	Confident	6 Å²	6	54.5 Å²	54.5	4%	0.041	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	162.6	167.6	59.5	0	0	0	0	110.5	I686 I687 T688 V837 R838 G840	I686-C820 PolarHBondContact O-N 2.99Å; I686-C820 VanDerWaalsContact O-O 3.09Å; I686-C820 PolarHBondContact O-SG 3.01Å; I686-C820 VanDerWaalsContact O-SG 3.4Å; I687-C820 WeakPolarHBondContact CA-O 3.44Å; I687-C820 WeakPolarHBondContact CG1-SG 3.44Å; T688-C820 PolarHBondContact N-O 3.47Å; T688-C820 PolarHBondContact OG1-O 3.23Å; C820-V837 HydrophobicContact CB-CG1 3.9Å; C820-R838 CarbonylContact C-O 3.38Å; C820-R838 WeakPolarHBondContact CA-O 3.49Å; C820-R838 WeakPolarHBondContact CB-O 3.3Å; C820-G840 CarbonylContact C-O 3.52Å; C820-G840 WeakPolarHBondContact CA-O 3.41Å
821	H	93.6	Very high	86.2	Confident	31 Å²	31	55.9 Å²	55.9	14%	0.144	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	153	178.5	66.5	-82.7	0	0	0	112.8	T688 A823 R838 G840 M842	T688-H821 CarbonylContact O-C 3.48Å; T688-H821 WeakPolarHBondContact O-CA 3.35Å; T688-H821 WeakPolarHBondContact OG1-CB 3.29Å; H821-A823 PolarHBondContact O-N 2.96Å; H821-R838 PolarHBondContact N-O 2.83Å; H821-R838 PolarHBondContact ND1-O 3.39Å; H821-R838 PolarHBondContact O-N 2.79Å; H821-G840 PolarHBondContact ND1-O 3.27Å; H821-M842 HydrophobicContact CB-CB 4.13Å; H821-M842 HydrophobicContact CB-CE 4.41Å
822	M	92.5	Very high	85.7	Confident	2 Å²	2	58 Å²	58	1%	0.01	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	120.5	168.9	-59.2	-53.8	-63	0	0	109.7	T688 G693 K695 V837	T688-M822 PolarHBondContact O-N 3.42Å; G693-M822 WeakPolarHBondContact O-CB 3.41Å; G693-M822 WeakPolarHBondContact O-CE 3.37Å; G693-M822 WeakPolarHBondContact O-CG 3.46Å; K695-M822 HydrophobicContact CB-CG 4.43Å; K695-M822 HydrophobicContact CG-CG 3.59Å; M822-V837 HydrophobicContact CE-CG2 4.14Å; M822-V837 HydrophobicContact SD-CG2 3.59Å; M822-V837 VanDerWaalsContact SD-CG2 3.59Å
823	A	89.1	Confident	85.5	Confident	5 Å²	5	52.6 Å²	52.6	4%	0.041	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	135.5	-178.6	0	0	0	0	0	111.7	H821 L834 Q836 R838	H821-A823 PolarHBondContact O-N 2.96Å; A823-L834 HydrophobicContact CB-CB 4.24Å; A823-L834 HydrophobicContact CB-CD1 4.02Å; A823-L834 WeakPolarHBondContact O-CB 3.37Å; A823-L834 PolarHBondContact O-N 3.49Å; A823-L834 VanDerWaalsContact O-N 3.1Å; A823-Q836 HydrophobicContact CB-CB 4.38Å; A823-Q836 WeakPolarHBondContact CB-O 3.39Å; A823-Q836 PolarHBondContact N-O 2.8Å; A823-R838 HydrophobicContact CB-CG 4.09Å
824	A	85.5	Confident	85.4	Confident	22 Å²	22	50.8 Å²	50.8	18%	0.182	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	147.4	172.5	0	0	0	0	0	109.1	P690 F831 L833 F846	P690-A824 HydrophobicContact CG-CB 4.09Å; A824-F831 HydrophobicContact CB-CE2 3.73Å; A824-F831 HydrophobicContact CB-CZ 3.82Å; A824-L833 HydrophobicContact CB-CD2 4.06Å; A824-F846 HydrophobicContact CB-CE2 4.28Å
825	V	81.9	Confident	85.3	Confident	81 Å²	81	54.3 Å²	54.3	49%	0.491	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.9	173.5	179.2	0	0	0	0	107.2	T832 L834	V825-T832 PolarHBondContact N-O 2.9Å; V825-T832 PolarHBondContact O-N 3.05Å; V825-L834 HydrophobicContact CG2-CD1 3.74Å; V825-L834 HydrophobicContact CG2-CD2 4.11Å; V825-L834 HydrophobicContact CG2-CG 4.01Å
826	A	70.7	Confident	85.3	Confident	34 Å²	34	53.1 Å²	53.1	28%	0.281	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.7	178.2	0	0	0	0	0	108.4	F831 F846 Q849	A826-F831 HydrophobicContact CB-CD2 3.79Å; A826-F831 HydrophobicContact CB-CE2 4.41Å; A826-F846 HydrophobicContact CB-CD1 3.86Å; A826-F846 HydrophobicContact CB-CE1 3.65Å; A826-Q849 HydrophobicContact CB-CG 4.48Å
827	D	73.2	Confident	85.3	Confident	116 Å²	116	53.3 Å²	53.3	62%	0.62	29%	0.294	S	S	*	.			trans	-100.2	178	167.6	-157.1	-5.3	0	0	0	109.4	D829 D830 Q849	D827-D829 PolarHBondContact O-N 3.41Å; D827-D830 PolarHBondContact N-O 3Å; D827-Q849 PolarHBondContact O-NE2 2.7Å
828	A	66.9	Low	85.1	Confident	70 Å²	70	59 Å²	59	58%	0.579	32%	0.315	S	S	*	.	S	Bend	trans	-57.8	-37.6	179.7	0	0	0	0	0	112.6
829	D	67.4	Low	84.9	Confident	148 Å²	148	60.5 Å²	60.5	79%	0.791	34%	0.336	S	S	*	.	S	Bend	trans	-114.6	-7	-173	-64.3	-34.4	0	0	0	114.3	D827 L853	D827-D829 PolarHBondContact O-N 3.41Å; D829-L853 WeakPolarHBondContact O-CD2 3.5Å
830	D	68.5	Low	84.6	Confident	95 Å²	95	60.9 Å²	60.9	51%	0.508	35%	0.345	S	S	.	.			trans	-144	147.3	-173.6	-158.1	-0.8	0	0	0	113	D827	D827-D830 PolarHBondContact N-O 3Å
831	F	77.9	Confident	84.2	Confident	29 Å²	29	63 Å²	63	13%	0.127	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	107.8	175	178.1	-105.7	0	0	0	109.2	P690 A824 A826 L833 F846 V850 L853	P690-F831 HydrophobicContact CB-CE1 4.48Å; P690-F831 HydrophobicContact CB-CZ 3.84Å; P690-F831 HydrophobicContact CG-CZ 3.93Å; A824-F831 HydrophobicContact CB-CE2 3.73Å; A824-F831 HydrophobicContact CB-CZ 3.82Å; A826-F831 HydrophobicContact CB-CD2 3.79Å; A826-F831 HydrophobicContact CB-CE2 4.41Å; F831-L833 HydrophobicContact CD1-CD2 4.34Å; F831-L833 HydrophobicContact CD1-CG 4.44Å; F831-L833 HydrophobicContact CE1-CD2 3.43Å; F831-L833 VanDerWaalsContact CE1-CD2 3.43Å; F831-L833 HydrophobicContact CE1-CG 3.94Å; F831-L833 HydrophobicContact CZ-CD2 3.72Å; F831-F846 HydrophobicContact CD2-CB 4.5Å; F831-F846 HydrophobicContact CD2-CD1 4.32Å; F831-F846 HydrophobicContact CD2-CG 4.46Å; F831-F846 HydrophobicContact CE2-CB 3.61Å; F831-F846 AromaticContact CE2-CD1 3.75Å; F831-F846 HydrophobicContact CE2-CD1 3.75Å; F831-F846 HydrophobicContact CE2-CD2 4.01Å; F831-F846 HydrophobicContact CE2-CE1 4.41Å; F831-F846 AromaticContact CE2-CG 3.52Å; F831-F846 HydrophobicContact CE2-CG 3.52Å; F831-F846 HydrophobicContact CZ-CB 3.94Å; F831-F846 HydrophobicContact CZ-CD2 4.42Å; F831-F846 HydrophobicContact CZ-CG 4.16Å; F831-V850 HydrophobicContact CD1-CG2 4.16Å; F831-V850 HydrophobicContact CE1-CG2 3.9Å; F831-V850 HydrophobicContact CZ-CG2 4.24Å; F831-L853 HydrophobicContact CB-CD1 3.03Å; F831-L853 HydrophobicContact CB-CG 4.48Å; F831-L853 HydrophobicContact CG-CD1 4.09Å
832	T	82	Confident	83.3	Confident	69 Å²	69	62.6 Å²	62.6	42%	0.423	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.5	-179.7	-59	0	0	0	0	110.2	V825 L834	V825-T832 PolarHBondContact N-O 2.9Å; V825-T832 PolarHBondContact O-N 3.05Å; T832-L834 HydrophobicContact CG2-CD2 4.44Å
833	L	85.4	Confident	82	Confident	30 Å²	30	71.5 Å²	71.5	16%	0.157	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120.4	170.5	-64.4	172.5	0	0	0	109	P690 M692 A824 F831 Y835	P690-L833 HydrophobicContact CB-CD2 4.41Å; P690-L833 HydrophobicContact CG-CD2 3.57Å; M692-L833 HydrophobicContact CB-CD1 3.97Å; M692-L833 WeakPolarHBondContact O-CD1 3.4Å; A824-L833 HydrophobicContact CB-CD2 4.06Å; F831-L833 HydrophobicContact CD1-CD2 4.34Å; F831-L833 HydrophobicContact CD1-CG 4.44Å; F831-L833 HydrophobicContact CE1-CD2 3.43Å; F831-L833 VanDerWaalsContact CE1-CD2 3.43Å; F831-L833 HydrophobicContact CE1-CG 3.94Å; F831-L833 HydrophobicContact CZ-CD2 3.72Å; L833-Y835 VanDerWaalsContact C-N 3.34Å; L833-Y835 HydrophobicContact CB-CD1 4.33Å; L833-Y835 HydrophobicContact CB-CE1 3.87Å; L833-Y835 HydrophobicContact CB-CE2 4.18Å; L833-Y835 HydrophobicContact CD1-CE1 4.09Å
834	L	89.6	Confident	80.9	Confident	50 Å²	50	78.5 Å²	78.5	26%	0.262	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-17	-179.1	-61.2	-175.9	0	0	0	112.8	A823 V825 T832 Q836	A823-L834 HydrophobicContact CB-CB 4.24Å; A823-L834 HydrophobicContact CB-CD1 4.02Å; A823-L834 WeakPolarHBondContact O-CB 3.37Å; A823-L834 PolarHBondContact O-N 3.49Å; A823-L834 VanDerWaalsContact O-N 3.1Å; V825-L834 HydrophobicContact CG2-CD1 3.74Å; V825-L834 HydrophobicContact CG2-CD2 4.11Å; V825-L834 HydrophobicContact CG2-CG 4.01Å; T832-L834 HydrophobicContact CG2-CD2 4.44Å; L834-Q836 HydrophobicContact CB-CB 4.45Å; L834-Q836 HydrophobicContact CB-CG 4.45Å; L834-Q836 PolarHBondContact O-N 2.84Å; L834-Q836 VanDerWaalsContact O-N 3.1Å
835	Y	91.9	Very high	80	Confident	104 Å²	104	81.1 Å²	81.1	41%	0.408	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.8	22.6	-174.9	-54.6	-64.6	0	0	0	114.4	N673 M692 L833	N673-Y835 PolarHBondContact ND2-O 3.37Å; M692-Y835 WeakPolarHBondContact O-CE1 3.38Å; L833-Y835 VanDerWaalsContact C-N 3.34Å; L833-Y835 HydrophobicContact CB-CD1 4.33Å; L833-Y835 HydrophobicContact CB-CE1 3.87Å; L833-Y835 HydrophobicContact CB-CE2 4.18Å; L833-Y835 HydrophobicContact CD1-CE1 4.09Å
836	Q	93.4	Very high	79.6	Confident	82 Å²	82	79 Å²	79	38%	0.383	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132.4	177.3	-70.8	179.2	-12.7	0	0	110.7	I671 N673 A823 L834	I671-Q836 HydrophobicContact CG2-CG 3.85Å; N673-Q836 WeakPolarHBondContact OD1-CA 3.47Å; A823-Q836 HydrophobicContact CB-CB 4.38Å; A823-Q836 WeakPolarHBondContact CB-O 3.39Å; A823-Q836 PolarHBondContact N-O 2.8Å; L834-Q836 HydrophobicContact CB-CB 4.45Å; L834-Q836 HydrophobicContact CB-CG 4.45Å; L834-Q836 PolarHBondContact O-N 2.84Å; L834-Q836 VanDerWaalsContact O-N 3.1Å
837	V	94.7	Very high	79.8	Confident	33 Å²	33	80 Å²	80	20%	0.2	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	125.4	170.7	-180	0	0	0	0	108.4	N673 Y698 C820 M822	N673-V837 HydrophobicContact CB-CB 4.37Å; N673-V837 HydrophobicContact CB-CG2 3.93Å; N673-V837 PolarHBondContact OD1-N 2.94Å; Y698-V837 HydrophobicContact CD1-CG2 3.89Å; Y698-V837 HydrophobicContact CD2-CG2 3.8Å; Y698-V837 HydrophobicContact CE1-CG1 4.43Å; Y698-V837 HydrophobicContact CE1-CG2 3.99Å; Y698-V837 HydrophobicContact CE2-CG2 3.91Å; Y698-V837 HydrophobicContact CG-CG2 3.79Å; C820-V837 HydrophobicContact CB-CG1 3.9Å; M822-V837 HydrophobicContact CE-CG2 4.14Å; M822-V837 HydrophobicContact SD-CG2 3.59Å; M822-V837 VanDerWaalsContact SD-CG2 3.59Å
838	R	93.6	Very high	80.1	Confident	124 Å²	124	75.9 Å²	75.9	47%	0.468	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.8	175.1	-66.2	-173.8	-177.5	-178.2	1	110.5	C820 H821 A823	C820-R838 CarbonylContact C-O 3.38Å; C820-R838 WeakPolarHBondContact CA-O 3.49Å; C820-R838 WeakPolarHBondContact CB-O 3.3Å; H821-R838 PolarHBondContact N-O 2.83Å; H821-R838 PolarHBondContact ND1-O 3.39Å; H821-R838 PolarHBondContact O-N 2.79Å; A823-R838 HydrophobicContact CB-CG 4.09Å
839	S	93.2	Very high	80.5	Confident	114 Å²	114	75.1 Å²	75.1	80%	0.797	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	153.5	175.7	-55	0	0	0	0	111.6
840	G	90.5	Very high	80.9	Confident	33 Å²	33	71.2 Å²	71.2	34%	0.34	39%	0.386	S	S	.	.	S	Bend	trans	89.5	179.8	179.6	0	0	0	0	0	113.2	N819 C820 H821	N819-G840 PolarHBondContact O-N 2.96Å; C820-G840 CarbonylContact C-O 3.52Å; C820-G840 WeakPolarHBondContact CA-O 3.41Å; H821-G840 PolarHBondContact ND1-O 3.27Å
841	V	85.8	Confident	81.5	Confident	50 Å²	50	67.9 Å²	67.9	30%	0.303	37%	0.372	S	S	.	.			trans	-93.5	149.2	-179	-164.9	0	0	0	0	109.8	H805 T808 N819	H805-V841 WeakPolarHBondContact CE1-CG1 3.25Å; T808-V841 HydrophobicContact CG2-CG1 3.78Å; T808-V841 HydrophobicContact CG2-CG2 4.25Å; N819-V841 HydrophobicContact CB-CG2 3.76Å; N819-V841 WeakPolarHBondContact ND2-CG2 3.28Å
842	M	75.5	Confident	81.6	Confident	24 Å²	24	71.1 Å²	71.1	12%	0.118	38%	0.383	C	S	.	.			trans	-75	127.6	171.9	-173.6	-167.9	-61.5	0	0	111	H805 H821 K844 F846	H805-M842 PolarHBondContact CE1-O 2.88Å; H821-M842 HydrophobicContact CB-CB 4.13Å; H821-M842 HydrophobicContact CB-CE 4.41Å; M842-K844 WeakPolarHBondContact CG-O 3.25Å; M842-F846 HydrophobicContact CE-CE2 4.4Å; M842-F846 HydrophobicContact CG-CE2 4.21Å; M842-F846 HydrophobicContact SD-CD2 3.78Å; M842-F846 HydrophobicContact SD-CE2 3.56Å; M842-F846 VanDerWaalsContact SD-CE2 3.56Å
843	E	65.2	Low	81.2	Confident	188 Å²	188	71 Å²	71	88%	0.879	38%	0.379	S	S	*	.	S	Bend	trans	-74.3	-24.3	-176.4	-66.5	-178.4	171.2	0	0	114.7
844	K	66.2	Low	81	Confident	152 Å²	152	72.5 Å²	72.5	66%	0.661	40%	0.396	S	S	*	.	S	Bend	trans	-139.2	140.9	-175	-65.3	-174.1	-179.2	-178	0	112.6	M842	M842-K844 WeakPolarHBondContact CG-O 3.25Å
845	S	66.2	Low	80.7	Confident	78 Å²	78	77 Å²	77	55%	0.545	42%	0.421	S	S	.	.			trans	-84.9	134.6	173	62.4	0	0	0	0	110.9
846	F	72.9	Confident	80.3	Confident	35 Å²	35	77.1 Å²	77.1	15%	0.154	42%	0.424	C	S	.	.			trans	-98.2	9.1	-173.7	-63.4	-76.5	0	0	0	114.2	A824 A826 F831 M842 I848 Q849 V850	A824-F846 HydrophobicContact CB-CE2 4.28Å; A826-F846 HydrophobicContact CB-CD1 3.86Å; A826-F846 HydrophobicContact CB-CE1 3.65Å; F831-F846 HydrophobicContact CD2-CB 4.5Å; F831-F846 HydrophobicContact CD2-CD1 4.32Å; F831-F846 HydrophobicContact CD2-CG 4.46Å; F831-F846 HydrophobicContact CE2-CB 3.61Å; F831-F846 AromaticContact CE2-CD1 3.75Å; F831-F846 HydrophobicContact CE2-CD1 3.75Å; F831-F846 HydrophobicContact CE2-CD2 4.01Å; F831-F846 HydrophobicContact CE2-CE1 4.41Å; F831-F846 AromaticContact CE2-CG 3.52Å; F831-F846 HydrophobicContact CE2-CG 3.52Å; F831-F846 HydrophobicContact CZ-CB 3.94Å; F831-F846 HydrophobicContact CZ-CD2 4.42Å; F831-F846 HydrophobicContact CZ-CG 4.16Å; M842-F846 HydrophobicContact CE-CE2 4.4Å; M842-F846 HydrophobicContact CG-CE2 4.21Å; M842-F846 HydrophobicContact SD-CD2 3.78Å; M842-F846 HydrophobicContact SD-CE2 3.56Å; M842-F846 VanDerWaalsContact SD-CE2 3.56Å; F846-I848 PolarHBondContact O-N 2.69Å; F846-Q849 PolarHBondContact O-N 3.42Å; F846-Q849 VanDerWaalsContact O-N 3.14Å; F846-V850 WeakPolarHBondContact O-CG2 3.42Å; F846-V850 PolarHBondContact O-N 3.44Å
847	G	75.6	Confident	80.1	Confident	55 Å²	55	76.5 Å²	76.5	57%	0.567	43%	0.427	S	S	*	.	H	α-helix	trans	-57.4	-44.8	-172.1	0	0	0	0	0	113.7	V850 A851	G847-V850 PolarHBondContact O-N 3.35Å; G847-A851 PolarHBondContact O-N 3.05Å; G847-A851 VanDerWaalsContact O-N 3.09Å
848	I	79.4	Confident	79.8	Confident	30 Å²	30	79 Å²	79	15%	0.154	44%	0.436	C	S	.	.	H	α-helix	trans	-68.4	-36.6	179.5	-61.9	172	0	0	0	111.1	F846 A851 R852 V861 Q865 Y868	F846-I848 PolarHBondContact O-N 2.69Å; I848-A851 WeakPolarHBondContact O-CB 3.46Å; I848-A851 PolarHBondContact O-N 3.4Å; I848-R852 PolarHBondContact O-N 2.93Å; I848-V861 HydrophobicContact CG2-CG1 3.69Å; I848-Q865 HydrophobicContact CD1-CB 4.35Å; I848-Y868 HydrophobicContact CD1-CD2 4.43Å; I848-Y868 HydrophobicContact CD1-CG 3.98Å
849	Q	75	Confident	79.7	Confident	55 Å²	55	78.5 Å²	78.5	26%	0.257	44%	0.439	S	S	.	.	H	α-helix	trans	-70.2	-36.2	178.9	-155.9	156.4	3.7	0	0	111.7	A826 D827 F846 A851 R852 L853	A826-Q849 HydrophobicContact CB-CG 4.48Å; D827-Q849 PolarHBondContact O-NE2 2.7Å; F846-Q849 PolarHBondContact O-N 3.42Å; F846-Q849 VanDerWaalsContact O-N 3.14Å; Q849-A851 VanDerWaalsContact C-N 3.33Å; Q849-R852 PolarHBondContact O-N 3.47Å; Q849-L853 PolarHBondContact O-N 3.13Å; Q849-L853 VanDerWaalsContact O-N 3.12Å
850	V	77.4	Confident	79.5	Confident	66 Å²	66	75.8 Å²	75.8	40%	0.4	42%	0.417	S	S	.	.	H	α-helix	trans	-63.4	-38.5	169.8	174.1	0	0	0	0	111.2	F831 F846 G847 L853 A854	F831-V850 HydrophobicContact CD1-CG2 4.16Å; F831-V850 HydrophobicContact CE1-CG2 3.9Å; F831-V850 HydrophobicContact CZ-CG2 4.24Å; F846-V850 WeakPolarHBondContact O-CG2 3.42Å; F846-V850 PolarHBondContact O-N 3.44Å; G847-V850 PolarHBondContact O-N 3.35Å; V850-L853 PolarHBondContact O-N 2.89Å; V850-A854 PolarHBondContact O-N 2.99Å
851	A	79.8	Confident	79.4	Confident	25 Å²	25	74.3 Å²	74.3	21%	0.207	40%	0.402	C	S	.	.	H	α-helix	trans	-64.3	-40.5	175.2	0	0	0	0	0	112.2	G847 I848 Q849 L853 A854 F856	G847-A851 PolarHBondContact O-N 3.05Å; G847-A851 VanDerWaalsContact O-N 3.09Å; I848-A851 WeakPolarHBondContact O-CB 3.46Å; I848-A851 PolarHBondContact O-N 3.4Å; Q849-A851 VanDerWaalsContact C-N 3.33Å; A851-L853 VanDerWaalsContact C-N 3.32Å; A851-L853 PolarHBondContact O-N 3.32Å; A851-A854 PolarHBondContact O-N 2.86Å; A851-F856 HydrophobicContact CB-CD1 4.27Å; A851-F856 HydrophobicContact CB-CD2 4.39Å; A851-F856 HydrophobicContact CB-CG 4.14Å; A851-F856 WeakPolarHBondContact O-CB 2.96Å; A851-F856 WeakPolarHBondContact O-CD1 3.3Å; A851-F856 PolarHBondContact O-N 2.96Å
852	R	80	Confident	79.5	Confident	96 Å²	96	76.9 Å²	76.9	36%	0.362	41%	0.411	S	S	.	.	H	α-helix	trans	-58.7	-43	173.6	-173.2	176	-79.7	142.1	-0.7	111.6	I848 Q849 A854 N855 E858 V861	I848-R852 PolarHBondContact O-N 2.93Å; Q849-R852 PolarHBondContact O-N 3.47Å; R852-A854 VanDerWaalsContact C-N 3.34Å; R852-A854 PolarHBondContact O-N 3.32Å; R852-N855 WeakPolarHBondContact O-CA 3.45Å; R852-N855 PolarHBondContact O-N 2.86Å; R852-E858 IonicContact CZ-OE1 3.84Å; R852-E858 IonicContact NE-OE1 4Å; R852-E858 PolarHBondContact NE-OE1 2.82Å; R852-E858 IonicContact NE-OE2 2.98Å; R852-E858 IonicContact NH2-OE1 2.81Å; R852-E858 PolarHBondContact NH2-OE1 3.08Å; R852-V861 HydrophobicContact CB-CG1 4.25Å; R852-V861 HydrophobicContact CB-CG2 4.45Å
853	L	73.3	Confident	80.1	Confident	66 Å²	66	79.9 Å²	79.9	35%	0.346	43%	0.427	S	S	.	.	H	α-helix	trans	-70.7	-28	177.5	-71.5	165.4	0	0	0	114.3	D829 F831 Q849 V850 A851 N855	D829-L853 WeakPolarHBondContact O-CD2 3.5Å; F831-L853 HydrophobicContact CB-CD1 3.03Å; F831-L853 HydrophobicContact CB-CG 4.48Å; F831-L853 HydrophobicContact CG-CD1 4.09Å; Q849-L853 PolarHBondContact O-N 3.13Å; Q849-L853 VanDerWaalsContact O-N 3.12Å; V850-L853 PolarHBondContact O-N 2.89Å; A851-L853 VanDerWaalsContact C-N 3.32Å; A851-L853 PolarHBondContact O-N 3.32Å; L853-N855 PolarHBondContact O-N 2.88Å; L853-N855 VanDerWaalsContact O-N 3.12Å
854	A	81.3	Confident	81.2	Confident	62 Å²	62	73 Å²	73	51%	0.512	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	8.9	168.7	0	0	0	0	0	113	V850 A851 R852 F856	V850-A854 PolarHBondContact O-N 2.99Å; A851-A854 PolarHBondContact O-N 2.86Å; R852-A854 VanDerWaalsContact C-N 3.34Å; R852-A854 PolarHBondContact O-N 3.32Å; A854-F856 VanDerWaalsContact C-N 3.3Å; A854-F856 HydrophobicContact CB-CD1 3.78Å; A854-F856 HydrophobicContact CB-CE1 3.83Å; A854-F856 PolarHBondContact O-N 3.46Å
855	N	83	Confident	82.1	Confident	146 Å²	146	69.1 Å²	69.1	78%	0.781	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	39.5	-178.7	-61.8	-62	0	0	0	113	R852 L853	R852-N855 WeakPolarHBondContact O-CA 3.45Å; R852-N855 PolarHBondContact O-N 2.86Å; L853-N855 PolarHBondContact O-N 2.88Å; L853-N855 VanDerWaalsContact O-N 3.12Å
856	F	84.1	Confident	82.9	Confident	106 Å²	106	70.9 Å²	70.9	47%	0.465	39%	0.386	S	S	.	.			trans	-61.2	146.1	169	-85	54.1	0	0	0	109.6	A851 A854 E858 V860 V861	A851-F856 HydrophobicContact CB-CD1 4.27Å; A851-F856 HydrophobicContact CB-CD2 4.39Å; A851-F856 HydrophobicContact CB-CG 4.14Å; A851-F856 WeakPolarHBondContact O-CB 2.96Å; A851-F856 WeakPolarHBondContact O-CD1 3.3Å; A851-F856 PolarHBondContact O-N 2.96Å; A854-F856 VanDerWaalsContact C-N 3.3Å; A854-F856 HydrophobicContact CB-CD1 3.78Å; A854-F856 HydrophobicContact CB-CE1 3.83Å; A854-F856 PolarHBondContact O-N 3.46Å; F856-E858 PolarHBondContact O-N 2.67Å; F856-V860 HydrophobicContact CD2-CG1 4.14Å; F856-V861 HydrophobicContact CB-CG2 3.76Å
857	P	90.4	Very high	83.4	Confident	69 Å²	69	72.4 Å²	72.4	45%	0.448	40%	0.398	S	S	.	.			trans	-56.1	132.9	175.8	-23.6	33.4	0	0	0	111	H859 V860 V861	P857-H859 WeakPolarHBondContact CB-CE1 3.49Å; P857-H859 WeakPolarHBondContact CB-ND1 3.33Å; P857-H859 PolarHBondContact O-N 2.64Å; P857-H859 VanDerWaalsContact O-N 3.07Å; P857-V860 HydrophobicContact CB-CG2 4.09Å; P857-V860 HydrophobicContact CG-CG2 4.24Å; P857-V860 WeakPolarHBondContact O-CA 2.87Å; P857-V860 WeakPolarHBondContact O-CB 3.31Å; P857-V860 PolarHBondContact O-N 3.36Å; P857-V861 PolarHBondContact O-N 2.91Å
858	E	87.8	Confident	83.7	Confident	84 Å²	84	73.4 Å²	73.4	39%	0.393	39%	0.385	S	S	.	.	H	α-helix	trans	-57.3	-33.2	-171.8	-166.6	61.1	-149.9	0	0	112.9	R852 F856 V860 V861 Q862	R852-E858 IonicContact CZ-OE1 3.84Å; R852-E858 IonicContact NE-OE1 4Å; R852-E858 PolarHBondContact NE-OE1 2.82Å; R852-E858 IonicContact NE-OE2 2.98Å; R852-E858 IonicContact NH2-OE1 2.81Å; R852-E858 PolarHBondContact NH2-OE1 3.08Å; F856-E858 PolarHBondContact O-N 2.67Å; E858-V860 VanDerWaalsContact C-N 3.3Å; E858-V860 PolarHBondContact O-N 3.45Å; E858-V861 PolarHBondContact O-N 2.99Å; E858-Q862 HydrophobicContact CG-CG 4.38Å; E858-Q862 WeakPolarHBondContact O-CB 3.38Å; E858-Q862 WeakPolarHBondContact O-CG 3.43Å; E858-Q862 PolarHBondContact O-N 3.28Å
859	H	90.6	Very high	83.6	Confident	115 Å²	115	75.1 Å²	75.1	53%	0.532	40%	0.395	S	S	.	.	H	α-helix	trans	-63.9	-31.9	174.9	76	-82.8	0	0	0	113.3	P857 N863	P857-H859 WeakPolarHBondContact CB-CE1 3.49Å; P857-H859 WeakPolarHBondContact CB-ND1 3.33Å; P857-H859 PolarHBondContact O-N 2.64Å; P857-H859 VanDerWaalsContact O-N 3.07Å; H859-N863 WeakPolarHBondContact O-CB 3.35Å; H859-N863 PolarHBondContact O-N 3.27Å; H859-N863 PolarHBondContact O-OD1 2.84Å
860	V	90.1	Very high	83.8	Confident	56 Å²	56	78.5 Å²	78.5	34%	0.339	41%	0.411	S	S	.	.	H	α-helix	trans	-71.6	-41.9	175.1	178.7	0	0	0	0	109.9	F856 P857 E858 A864	F856-V860 HydrophobicContact CD2-CG1 4.14Å; P857-V860 HydrophobicContact CB-CG2 4.09Å; P857-V860 HydrophobicContact CG-CG2 4.24Å; P857-V860 WeakPolarHBondContact O-CA 2.87Å; P857-V860 WeakPolarHBondContact O-CB 3.31Å; P857-V860 PolarHBondContact O-N 3.36Å; E858-V860 VanDerWaalsContact C-N 3.3Å; E858-V860 PolarHBondContact O-N 3.45Å; V860-A864 VanDerWaalsContact O-CB 3.29Å; V860-A864 WeakPolarHBondContact O-CB 3.1Å; V860-A864 PolarHBondContact O-N 3.29Å
861	V	88.3	Confident	83.6	Confident	3 Å²	3	81.5 Å²	81.5	2%	0.018	42%	0.419	C	S	.	.	H	α-helix	trans	-64.9	-44.3	177.7	-178.6	0	0	0	0	110.7	I848 R852 F856 P857 E858 A864 Q865	I848-V861 HydrophobicContact CG2-CG1 3.69Å; R852-V861 HydrophobicContact CB-CG1 4.25Å; R852-V861 HydrophobicContact CB-CG2 4.45Å; F856-V861 HydrophobicContact CB-CG2 3.76Å; P857-V861 PolarHBondContact O-N 2.91Å; E858-V861 PolarHBondContact O-N 2.99Å; V861-A864 PolarHBondContact O-N 3.02Å; V861-Q865 WeakPolarHBondContact O-CB 3.31Å; V861-Q865 PolarHBondContact O-N 2.86Å
862	Q	87.1	Confident	83.1	Confident	104 Å²	104	84.7 Å²	84.7	49%	0.486	43%	0.429	S	S	.	.	H	α-helix	trans	-60.7	-50.7	175.6	-76.5	177.5	-3.8	0	0	111.4	E858 A864 Q865 E866	E858-Q862 HydrophobicContact CG-CG 4.38Å; E858-Q862 WeakPolarHBondContact O-CB 3.38Å; E858-Q862 WeakPolarHBondContact O-CG 3.43Å; E858-Q862 PolarHBondContact O-N 3.28Å; Q862-A864 VanDerWaalsContact C-N 3.3Å; Q862-A864 PolarHBondContact O-N 2.96Å; Q862-Q865 WeakPolarHBondContact O-CB 3.17Å; Q862-Q865 PolarHBondContact O-N 3Å; Q862-Q865 VanDerWaalsContact O-N 3.09Å; Q862-E866 WeakPolarHBondContact O-CG 3.17Å; Q862-E866 PolarHBondContact O-N 2.74Å
863	N	88.9	Confident	82.1	Confident	86 Å²	86	85 Å²	85	46%	0.46	44%	0.438	S	S	.	.	H	α-helix	trans	-59.8	-40.8	176.6	-73.5	8.8	0	0	0	112	H859 Q865 E866 V867	H859-N863 WeakPolarHBondContact O-CB 3.35Å; H859-N863 PolarHBondContact O-N 3.27Å; H859-N863 PolarHBondContact O-OD1 2.84Å; N863-Q865 VanDerWaalsContact C-N 3.29Å; N863-Q865 PolarHBondContact O-N 3.17Å; N863-E866 PolarHBondContact O-N 3.34Å; N863-V867 WeakPolarHBondContact O-CB 3.5Å; N863-V867 VanDerWaalsContact O-CG2 3.27Å; N863-V867 WeakPolarHBondContact O-CG2 3.28Å; N863-V867 PolarHBondContact O-N 2.86Å
864	A	87.3	Confident	81.4	Confident	44 Å²	44	88.1 Å²	88.1	36%	0.364	45%	0.451	S	S	.	.	H	α-helix	trans	-64	-35.8	176.8	0	0	0	0	0	112.1	V860 V861 Q862 Y868	V860-A864 VanDerWaalsContact O-CB 3.29Å; V860-A864 WeakPolarHBondContact O-CB 3.1Å; V860-A864 PolarHBondContact O-N 3.29Å; V861-A864 PolarHBondContact O-N 3.02Å; Q862-A864 VanDerWaalsContact C-N 3.3Å; Q862-A864 PolarHBondContact O-N 2.96Å; A864-Y868 VanDerWaalsContact O-CB 3.28Å; A864-Y868 WeakPolarHBondContact O-CB 3.49Å; A864-Y868 PolarHBondContact O-N 3.42Å
865	Q	84.7	Confident	80.3	Confident	71 Å²	71	89.7 Å²	89.7	33%	0.332	45%	0.447	S	S	.	.	H	α-helix	trans	-69.6	-41.4	174.8	-169.8	66.3	62.9	0	0	112.3	I848 V861 Q862 N863 Y868 N869	I848-Q865 HydrophobicContact CD1-CB 4.35Å; V861-Q865 WeakPolarHBondContact O-CB 3.31Å; V861-Q865 PolarHBondContact O-N 2.86Å; Q862-Q865 WeakPolarHBondContact O-CB 3.17Å; Q862-Q865 PolarHBondContact O-N 3Å; Q862-Q865 VanDerWaalsContact O-N 3.09Å; N863-Q865 VanDerWaalsContact C-N 3.29Å; N863-Q865 PolarHBondContact O-N 3.17Å; Q865-Y868 PolarHBondContact O-N 2.93Å; Q865-N869 PolarHBondContact NE2-OD1 2.93Å; Q865-N869 WeakPolarHBondContact O-CB 3.28Å; Q865-N869 PolarHBondContact O-N 3.37Å; Q865-N869 PolarHBondContact O-ND2 3.09Å; Q865-N869 PolarHBondContact O-OD1 3.47Å
866	E	84.2	Confident	79	Confident	114 Å²	114	85.3 Å²	85.3	53%	0.533	43%	0.426	S	S	.	.	H	α-helix	trans	-59.5	-50.9	174.4	-71.7	175.3	-179.4	0	0	110.6	Q862 N863 Y868 N869 E870	Q862-E866 WeakPolarHBondContact O-CG 3.17Å; Q862-E866 PolarHBondContact O-N 2.74Å; N863-E866 PolarHBondContact O-N 3.34Å; E866-Y868 VanDerWaalsContact C-N 3.33Å; E866-Y868 PolarHBondContact O-N 3.39Å; E866-N869 PolarHBondContact O-N 2.84Å; E866-E870 WeakPolarHBondContact O-CG 3.42Å; E866-E870 PolarHBondContact O-N 2.78Å
867	V	83.6	Confident	77.6	Confident	67 Å²	67	84.6 Å²	84.6	41%	0.406	43%	0.427	S	S	.	.	H	α-helix	trans	-62	-39.2	177.8	172	0	0	0	0	111.9	N863 E870 F871	N863-V867 WeakPolarHBondContact O-CB 3.5Å; N863-V867 VanDerWaalsContact O-CG2 3.27Å; N863-V867 WeakPolarHBondContact O-CG2 3.28Å; N863-V867 PolarHBondContact O-N 2.86Å; V867-E870 PolarHBondContact O-N 3.1Å; V867-F871 HydrophobicContact CG1-CD2 3.72Å; V867-F871 HydrophobicContact CG1-CE2 3.36Å; V867-F871 HydrophobicContact CG1-CZ 4.39Å; V867-F871 WeakPolarHBondContact O-CD2 3.35Å; V867-F871 PolarHBondContact O-N 2.97Å; V867-F871 VanDerWaalsContact O-N 3.11Å
868	Y	80.5	Confident	76	Confident	76 Å²	76	88.2 Å²	88.2	30%	0.298	44%	0.436	S	S	.	.	H	α-helix	trans	-61.7	-46.7	174.8	173.2	-89.3	0	0	0	111.7	I848 A864 Q865 E866 E870 F871 E872	I848-Y868 HydrophobicContact CD1-CD2 4.43Å; I848-Y868 HydrophobicContact CD1-CG 3.98Å; A864-Y868 VanDerWaalsContact O-CB 3.28Å; A864-Y868 WeakPolarHBondContact O-CB 3.49Å; A864-Y868 PolarHBondContact O-N 3.42Å; Q865-Y868 PolarHBondContact O-N 2.93Å; E866-Y868 VanDerWaalsContact C-N 3.33Å; E866-Y868 PolarHBondContact O-N 3.39Å; Y868-E870 VanDerWaalsContact C-N 3.29Å; Y868-E870 PolarHBondContact O-N 3.24Å; Y868-F871 PolarHBondContact O-N 3.07Å; Y868-E872 HydrophobicContact CE1-CB 4.4Å; Y868-E872 WeakPolarHBondContact CE1-OE2 3.33Å; Y868-E872 WeakPolarHBondContact O-CB 3.36Å; Y868-E872 PolarHBondContact O-N 2.87Å; Y868-E872 PolarHBondContact OH-OE1 3.37Å
869	N	79.3	Confident	74.3	Confident	67 Å²	67	88.8 Å²	88.8	36%	0.358	44%	0.438	S	S	.	.	H	α-helix	trans	-62.4	-39.3	179	-63.6	-11.2	0	0	0	110.8	Q865 E866 F871 E872 D873	Q865-N869 PolarHBondContact NE2-OD1 2.93Å; Q865-N869 WeakPolarHBondContact O-CB 3.28Å; Q865-N869 PolarHBondContact O-N 3.37Å; Q865-N869 PolarHBondContact O-ND2 3.09Å; Q865-N869 PolarHBondContact O-OD1 3.47Å; E866-N869 PolarHBondContact O-N 2.84Å; N869-F871 PolarHBondContact O-N 2.87Å; N869-E872 PolarHBondContact O-N 2.95Å; N869-D873 VanDerWaalsContact O-CB 3.3Å; N869-D873 WeakPolarHBondContact O-CB 3.46Å; N869-D873 PolarHBondContact O-N 3.19Å
870	E	78.6	Confident	72.5	Confident	126 Å²	126	89.3 Å²	89.3	59%	0.589	44%	0.439	S	S	*	.	H	α-helix	trans	-59.4	-45.3	174.4	-73.4	178.8	176.7	0	0	112.1	E866 V867 Y868 D873 E874	E866-E870 WeakPolarHBondContact O-CG 3.42Å; E866-E870 PolarHBondContact O-N 2.78Å; V867-E870 PolarHBondContact O-N 3.1Å; Y868-E870 VanDerWaalsContact C-N 3.29Å; Y868-E870 PolarHBondContact O-N 3.24Å; E870-D873 PolarHBondContact O-N 3.26Å; E870-E874 WeakPolarHBondContact O-CB 3.19Å; E870-E874 WeakPolarHBondContact O-CG 3.5Å; E870-E874 PolarHBondContact O-N 3.4Å
871	F	73.2	Confident	71	Confident	128 Å²	128	93.9 Å²	93.9	56%	0.561	45%	0.454	S	S	*	.	H	α-helix	trans	-68.9	-34.4	177.6	-74	-55.4	0	0	0	113.3	V867 Y868 N869 H875	V867-F871 HydrophobicContact CG1-CD2 3.72Å; V867-F871 HydrophobicContact CG1-CE2 3.36Å; V867-F871 HydrophobicContact CG1-CZ 4.39Å; V867-F871 WeakPolarHBondContact O-CD2 3.35Å; V867-F871 PolarHBondContact O-N 2.97Å; V867-F871 VanDerWaalsContact O-N 3.11Å; Y868-F871 PolarHBondContact O-N 3.07Å; N869-F871 PolarHBondContact O-N 2.87Å; F871-H875 PolarHBondContact O-N 3Å
872	E	69.3	Low	69.3	Low	93 Å²	93	100 Å²	100	44%	0.435	48%	0.483	S	S	.	.	H	α-helix	trans	-68.6	-44.4	175.3	-162.5	173.9	-132.9	0	0	110.7	Y868 N869 H875 V876	Y868-E872 HydrophobicContact CE1-CB 4.4Å; Y868-E872 WeakPolarHBondContact CE1-OE2 3.33Å; Y868-E872 WeakPolarHBondContact O-CB 3.36Å; Y868-E872 PolarHBondContact O-N 2.87Å; Y868-E872 PolarHBondContact OH-OE1 3.37Å; N869-E872 PolarHBondContact O-N 2.95Å; E872-H875 WeakPolarHBondContact O-CB 3.24Å; E872-H875 PolarHBondContact O-N 3.48Å; E872-V876 VanDerWaalsContact O-CG2 3.28Å; E872-V876 WeakPolarHBondContact O-CG2 3.49Å; E872-V876 PolarHBondContact O-N 3.33Å
873	D	59.5	Low	67.7	Low	101 Å²	101	99.5 Å²	99.5	54%	0.54	48%	0.483	S	S	.	.	H	α-helix	trans	-64.9	-40.7	176.1	-78.3	-24.8	0	0	0	112	N869 E870 H875 V876 D877	N869-D873 VanDerWaalsContact O-CB 3.3Å; N869-D873 WeakPolarHBondContact O-CB 3.46Å; N869-D873 PolarHBondContact O-N 3.19Å; E870-D873 PolarHBondContact O-N 3.26Å; D873-H875 VanDerWaalsContact C-N 3.32Å; D873-H875 PolarHBondContact O-N 3.05Å; D873-V876 PolarHBondContact O-N 2.81Å; D873-D877 VanDerWaalsContact O-CB 3.28Å; D873-D877 WeakPolarHBondContact O-CB 3.16Å; D873-D877 PolarHBondContact O-N 3.03Å
874	E	58.8	Low	66.4	Low	132 Å²	132	101.7 Å²	101.7	62%	0.617	49%	0.489	S	S	*	.	H	α-helix	trans	-62.4	-37.1	173.7	-81.3	-166.4	165.1	0	0	112.7	E870 K878	E870-E874 WeakPolarHBondContact O-CB 3.19Å; E870-E874 WeakPolarHBondContact O-CG 3.5Å; E870-E874 PolarHBondContact O-N 3.4Å; E874-K878 WeakPolarHBondContact O-CB 3.28Å; E874-K878 PolarHBondContact O-N 3.07Å
875	H	56.7	Low	65.1	Low	95 Å²	95	101.8 Å²	101.8	44%	0.44	49%	0.49	S	S	.	.	H	α-helix	trans	-67	-46.8	174.7	-107.8	-80.4	0	0	0	111.6	F871 E872 D873 D877 K878 Q879	F871-H875 PolarHBondContact O-N 3Å; E872-H875 WeakPolarHBondContact O-CB 3.24Å; E872-H875 PolarHBondContact O-N 3.48Å; D873-H875 VanDerWaalsContact C-N 3.32Å; D873-H875 PolarHBondContact O-N 3.05Å; H875-D877 VanDerWaalsContact C-N 3.34Å; H875-D877 PolarHBondContact O-N 2.9Å; H875-K878 PolarHBondContact O-N 3.48Å; H875-Q879 WeakPolarHBondContact O-CB 3.46Å; H875-Q879 PolarHBondContact O-N 2.79Å
876	V	56.6	Low	63.6	Low	55 Å²	55	100.9 Å²	100.9	33%	0.333	49%	0.487	S	S	.	.	H	α-helix	trans	-64.7	-38.1	178	172.8	0	0	0	0	111.2	E872 D873 Q879 K880	E872-V876 VanDerWaalsContact O-CG2 3.28Å; E872-V876 WeakPolarHBondContact O-CG2 3.49Å; E872-V876 PolarHBondContact O-N 3.33Å; D873-V876 PolarHBondContact O-N 2.81Å; V876-Q879 PolarHBondContact O-N 2.88Å; V876-K880 HydrophobicContact CG1-CD 4.01Å; V876-K880 HydrophobicContact CG1-CG 4.44Å; V876-K880 WeakPolarHBondContact O-CB 3.3Å; V876-K880 VanDerWaalsContact O-CG 3.29Å; V876-K880 WeakPolarHBondContact O-CG 3.44Å; V876-K880 PolarHBondContact O-N 2.98Å
877	D	54.5	Low	62.2	Low	90 Å²	90	100.2 Å²	100.2	48%	0.481	49%	0.486	S	S	.	.	H	α-helix	trans	-73.3	-34.2	178.1	-91.1	-3.9	0	0	0	113.2	D873 H875 K881	D873-D877 VanDerWaalsContact O-CB 3.28Å; D873-D877 WeakPolarHBondContact O-CB 3.16Å; D873-D877 PolarHBondContact O-N 3.03Å; H875-D877 VanDerWaalsContact C-N 3.34Å; H875-D877 PolarHBondContact O-N 2.9Å; D877-K881 VanDerWaalsContact O-CB 3.29Å; D877-K881 WeakPolarHBondContact O-CB 3.15Å; D877-K881 WeakPolarHBondContact O-CG 3.11Å; D877-K881 PolarHBondContact O-N 2.86Å
878	K	56.8	Low	61.3	Low	146 Å²	146	102 Å²	102	64%	0.635	49%	0.49	S	S	*	.	H	α-helix	trans	-62.2	-46.7	169.2	-103	179.2	175.3	172.7	0	111.1	E874 H875 K881 E882	E874-K878 WeakPolarHBondContact O-CB 3.28Å; E874-K878 PolarHBondContact O-N 3.07Å; H875-K878 PolarHBondContact O-N 3.48Å; K878-K881 PolarHBondContact O-N 3.14Å; K878-E882 WeakPolarHBondContact O-CG 3.5Å; K878-E882 PolarHBondContact O-N 2.97Å
879	Q	53	Low	60.2	Low	96 Å²	96	105.2 Å²	105.2	45%	0.449	51%	0.506	S	S	.	.	H	α-helix	trans	-66.7	-42.9	-178.8	-151.8	161.6	-6.7	0	0	111.4	H875 V876 K881 E882 D883	H875-Q879 WeakPolarHBondContact O-CB 3.46Å; H875-Q879 PolarHBondContact O-N 2.79Å; V876-Q879 PolarHBondContact O-N 2.88Å; Q879-K881 VanDerWaalsContact C-N 3.34Å; Q879-K881 PolarHBondContact O-N 2.85Å; Q879-E882 PolarHBondContact O-N 2.93Å; Q879-D883 WeakPolarHBondContact O-CB 3.41Å; Q879-D883 VanDerWaalsContact O-CG 3.26Å; Q879-D883 PolarHBondContact O-N 3.41Å
880	K	52.6	Low	59	Low	126 Å²	126	104 Å²	104	55%	0.548	50%	0.499	S	S	.	.	H	α-helix	trans	-62.2	-36	171.3	-77.3	173.9	-176.7	165.3	0	113.2	V876 K884	V876-K880 HydrophobicContact CG1-CD 4.01Å; V876-K880 HydrophobicContact CG1-CG 4.44Å; V876-K880 WeakPolarHBondContact O-CB 3.3Å; V876-K880 VanDerWaalsContact O-CG 3.29Å; V876-K880 WeakPolarHBondContact O-CG 3.44Å; V876-K880 PolarHBondContact O-N 2.98Å; K880-K884 WeakPolarHBondContact O-CB 3.38Å; K880-K884 PolarHBondContact O-N 3.45Å
881	K	57.3	Low	58.1	Low	152 Å²	152	103.9 Å²	103.9	66%	0.661	50%	0.498	S	S	*	.	H	α-helix	trans	-69.7	-39.7	175.3	-86.4	176.5	178.8	167.6	0	111.9	D877 K878 Q879 K884 A885	D877-K881 VanDerWaalsContact O-CB 3.29Å; D877-K881 WeakPolarHBondContact O-CB 3.15Å; D877-K881 WeakPolarHBondContact O-CG 3.11Å; D877-K881 PolarHBondContact O-N 2.86Å; K878-K881 PolarHBondContact O-N 3.14Å; Q879-K881 VanDerWaalsContact C-N 3.34Å; Q879-K881 PolarHBondContact O-N 2.85Å; K881-K884 PolarHBondContact O-N 3.48Å; K881-A885 VanDerWaalsContact O-CB 3.23Å; K881-A885 WeakPolarHBondContact O-CB 3.36Å; K881-A885 PolarHBondContact O-N 3.49Å
882	E	53.7	Low	57.6	Low	132 Å²	132	101.5 Å²	101.5	62%	0.617	49%	0.494	S	S	*	.	H	α-helix	trans	-64.2	-46.9	174	-75.7	178	171.1	0	0	111	K878 Q879 K884 A885 L886	K878-E882 WeakPolarHBondContact O-CG 3.5Å; K878-E882 PolarHBondContact O-N 2.97Å; Q879-E882 PolarHBondContact O-N 2.93Å; E882-K884 VanDerWaalsContact C-N 3.35Å; E882-K884 PolarHBondContact O-N 2.86Å; E882-A885 PolarHBondContact O-N 3.13Å; E882-L886 WeakPolarHBondContact O-CB 3.45Å; E882-L886 PolarHBondContact O-N 2.86Å
883	D	53.4	Low	57	Low	93 Å²	93	98 Å²	98	50%	0.497	48%	0.481	S	S	.	.	H	α-helix	trans	-61.7	-41.6	175.5	-70.5	-19.7	0	0	0	111.9	Q879 L886 L887	Q879-D883 WeakPolarHBondContact O-CB 3.41Å; Q879-D883 VanDerWaalsContact O-CG 3.26Å; Q879-D883 PolarHBondContact O-N 3.41Å; D883-L886 WeakPolarHBondContact O-CB 3.47Å; D883-L886 PolarHBondContact O-N 3.18Å; D883-L887 WeakPolarHBondContact O-CB 3.48Å; D883-L887 WeakPolarHBondContact O-CD1 3.45Å; D883-L887 VanDerWaalsContact O-CG 3.31Å; D883-L887 WeakPolarHBondContact O-CG 3.47Å; D883-L887 PolarHBondContact O-N 3.38Å
884	K	60.4	Low	56.8	Low	131 Å²	131	97.9 Å²	97.9	57%	0.57	48%	0.48	S	S	*	.	H	α-helix	trans	-68.9	-38.3	177.5	-168.3	176.9	-178.3	-177.1	0	112.2	K880 K881 E882 L886 L887 E888	K880-K884 WeakPolarHBondContact O-CB 3.38Å; K880-K884 PolarHBondContact O-N 3.45Å; K881-K884 PolarHBondContact O-N 3.48Å; E882-K884 VanDerWaalsContact C-N 3.35Å; E882-K884 PolarHBondContact O-N 2.86Å; K884-L886 VanDerWaalsContact C-N 3.32Å; K884-L887 PolarHBondContact O-N 2.74Å; K884-E888 WeakPolarHBondContact O-CB 3.25Å; K884-E888 WeakPolarHBondContact O-CG 3.3Å; K884-E888 PolarHBondContact O-N 2.92Å
885	A	59.7	Low	56.9	Low	47 Å²	47	97.6 Å²	97.6	39%	0.388	48%	0.478	S	S	.	.	H	α-helix	trans	-67.2	-34.5	173.7	0	0	0	0	0	111.8	K881 E882 K889	K881-A885 VanDerWaalsContact O-CB 3.23Å; K881-A885 WeakPolarHBondContact O-CB 3.36Å; K881-A885 PolarHBondContact O-N 3.49Å; E882-A885 PolarHBondContact O-N 3.13Å; A885-K889 WeakPolarHBondContact O-CB 3.35Å; A885-K889 WeakPolarHBondContact O-CG 3.28Å; A885-K889 PolarHBondContact O-N 2.88Å
886	L	53.3	Low	57	Low	52 Å²	52	98.9 Å²	98.9	27%	0.272	48%	0.484	S	S	.	.	H	α-helix	trans	-66.6	-46.1	172.2	-133.4	88.5	0	0	0	111.2	E882 D883 K884 E888 K889 I890 L925 F930	E882-L886 WeakPolarHBondContact O-CB 3.45Å; E882-L886 PolarHBondContact O-N 2.86Å; D883-L886 WeakPolarHBondContact O-CB 3.47Å; D883-L886 PolarHBondContact O-N 3.18Å; K884-L886 VanDerWaalsContact C-N 3.32Å; L886-E888 PolarHBondContact O-N 2.86Å; L886-K889 PolarHBondContact O-N 3.47Å; L886-I890 VanDerWaalsContact O-CG1 3.27Å; L886-I890 WeakPolarHBondContact O-CG1 3.45Å; L886-I890 PolarHBondContact O-N 3.33Å; L886-L925 HydrophobicContact CD1-CD2 4.06Å; L886-L925 HydrophobicContact CG-CD2 4.46Å; L886-F930 HydrophobicContact CD2-CE2 4.33Å
887	L	55.4	Low	56.9	Low	99 Å²	99	99.2 Å²	99.2	52%	0.518	48%	0.484	S	S	.	.	H	α-helix	trans	-62.9	-39.5	176.9	-78.6	162.6	0	0	0	112.4	D883 K884 I890 Q891	D883-L887 WeakPolarHBondContact O-CB 3.48Å; D883-L887 WeakPolarHBondContact O-CD1 3.45Å; D883-L887 VanDerWaalsContact O-CG 3.31Å; D883-L887 WeakPolarHBondContact O-CG 3.47Å; D883-L887 PolarHBondContact O-N 3.38Å; K884-L887 PolarHBondContact O-N 2.74Å; L887-I890 PolarHBondContact O-N 2.88Å; L887-Q891 WeakPolarHBondContact O-CB 3.23Å; L887-Q891 WeakPolarHBondContact O-CG 3.45Å; L887-Q891 PolarHBondContact O-N 3.23Å
888	E	64.6	Low	56.9	Low	104 Å²	104	98.1 Å²	98.1	49%	0.486	48%	0.483	S	S	.	.	H	α-helix	trans	-66.8	-41.5	174.6	-81.3	177.8	-176.2	0	0	111.6	K884 L886 I890 Q891 V892	K884-E888 WeakPolarHBondContact O-CB 3.25Å; K884-E888 WeakPolarHBondContact O-CG 3.3Å; K884-E888 PolarHBondContact O-N 2.92Å; L886-E888 PolarHBondContact O-N 2.86Å; E888-I890 VanDerWaalsContact C-N 3.32Å; E888-I890 PolarHBondContact O-N 2.97Å; E888-Q891 PolarHBondContact O-N 3.5Å; E888-V892 WeakPolarHBondContact O-CB 3.39Å; E888-V892 VanDerWaalsContact O-CG2 3.27Å; E888-V892 WeakPolarHBondContact O-CG2 3.44Å; E888-V892 PolarHBondContact O-N 3.17Å
889	K	58.5	Low	57	Low	145 Å²	145	95.7 Å²	95.7	63%	0.63	48%	0.481	S	S	*	.	H	α-helix	trans	-59	-44.9	172.4	-78.6	177.6	-180	-179.7	0	111.2	A885 L886 V892 A893	A885-K889 WeakPolarHBondContact O-CB 3.35Å; A885-K889 WeakPolarHBondContact O-CG 3.28Å; A885-K889 PolarHBondContact O-N 2.88Å; L886-K889 PolarHBondContact O-N 3.47Å; K889-V892 PolarHBondContact O-N 3.22Å; K889-A893 WeakPolarHBondContact O-CB 3.38Å; K889-A893 PolarHBondContact O-N 3Å
890	I	53.7	Low	57.1	Low	41 Å²	41	92.9 Å²	92.9	21%	0.21	47%	0.474	C	S	.	.	H	α-helix	trans	-65.4	-41.3	177.9	-68.6	166.3	0	0	0	111.4	L886 L887 E888 A893 I894 F930	L886-I890 VanDerWaalsContact O-CG1 3.27Å; L886-I890 WeakPolarHBondContact O-CG1 3.45Å; L886-I890 PolarHBondContact O-N 3.33Å; L887-I890 PolarHBondContact O-N 2.88Å; E888-I890 VanDerWaalsContact C-N 3.32Å; E888-I890 PolarHBondContact O-N 2.97Å; I890-A893 PolarHBondContact O-N 3.17Å; I890-I894 HydrophobicContact CG2-CD1 3.7Å; I890-I894 HydrophobicContact CG2-CG1 4.32Å; I890-I894 WeakPolarHBondContact O-CB 3.2Å; I890-I894 VanDerWaalsContact O-CG1 3.24Å; I890-I894 WeakPolarHBondContact O-CG1 3.45Å; I890-I894 PolarHBondContact O-N 3.48Å; I890-F930 HydrophobicContact CD1-CE1 3.81Å; I890-F930 HydrophobicContact CD1-CE2 3.74Å; I890-F930 HydrophobicContact CD1-CZ 3.18Å
891	Q	58.7	Low	57	Low	124 Å²	124	89.3 Å²	89.3	58%	0.579	47%	0.473	S	S	*	.	H	α-helix	trans	-64.3	-43.7	176.3	-82.3	-179.5	-16.4	0	0	112.3	L887 E888 A893 I894 Q895	L887-Q891 WeakPolarHBondContact O-CB 3.23Å; L887-Q891 WeakPolarHBondContact O-CG 3.45Å; L887-Q891 PolarHBondContact O-N 3.23Å; E888-Q891 PolarHBondContact O-N 3.5Å; Q891-A893 VanDerWaalsContact C-N 3.28Å; Q891-A893 PolarHBondContact O-N 3.35Å; Q891-I894 PolarHBondContact O-N 3.17Å; Q891-Q895 WeakPolarHBondContact O-CB 3.31Å; Q891-Q895 PolarHBondContact O-N 3.02Å
892	V	64.3	Low	56.7	Low	77 Å²	77	88.7 Å²	88.7	47%	0.467	48%	0.477	S	S	.	.	H	α-helix	trans	-61.3	-41.3	175.2	169.9	0	0	0	0	110.6	E888 K889 Q895 Q896	E888-V892 WeakPolarHBondContact O-CB 3.39Å; E888-V892 VanDerWaalsContact O-CG2 3.27Å; E888-V892 WeakPolarHBondContact O-CG2 3.44Å; E888-V892 PolarHBondContact O-N 3.17Å; K889-V892 PolarHBondContact O-N 3.22Å; V892-Q895 PolarHBondContact O-N 2.96Å; V892-Q896 WeakPolarHBondContact O-CG 3.45Å; V892-Q896 PolarHBondContact O-N 3.38Å
893	A	55.2	Low	56.5	Low	20 Å²	20	88.9 Å²	88.9	17%	0.165	48%	0.482	C	S	.	.	H	α-helix	trans	-68.5	-43.1	-179.5	0	0	0	0	0	111.4	K889 I890 Q891 Q895 Q896 L897 F918	K889-A893 WeakPolarHBondContact O-CB 3.38Å; K889-A893 PolarHBondContact O-N 3Å; I890-A893 PolarHBondContact O-N 3.17Å; Q891-A893 VanDerWaalsContact C-N 3.28Å; Q891-A893 PolarHBondContact O-N 3.35Å; A893-Q895 VanDerWaalsContact C-N 3.31Å; A893-Q895 PolarHBondContact O-N 3.16Å; A893-Q896 PolarHBondContact O-N 3.39Å; A893-L897 PolarHBondContact O-N 3.07Å; A893-L897 VanDerWaalsContact O-N 3.12Å; A893-F918 VanDerWaalsContact C-CE2 3.46Å; A893-F918 HydrophobicContact CB-CD2 4.21Å; A893-F918 HydrophobicContact CB-CE2 3.14Å; A893-F918 HydrophobicContact CB-CZ 3.38Å; A893-F918 WeakPolarHBondContact O-CE2 3.32Å
894	I	56	Low	56.5	Low	99 Å²	99	91.4 Å²	91.4	51%	0.508	50%	0.501	S	S	.	.	H	α-helix	trans	-61.4	-39.7	171	-70.6	168.7	0	0	0	111.2	I890 Q891 L897 S898	I890-I894 HydrophobicContact CG2-CD1 3.7Å; I890-I894 HydrophobicContact CG2-CG1 4.32Å; I890-I894 WeakPolarHBondContact O-CB 3.2Å; I890-I894 VanDerWaalsContact O-CG1 3.24Å; I890-I894 WeakPolarHBondContact O-CG1 3.45Å; I890-I894 PolarHBondContact O-N 3.48Å; Q891-I894 PolarHBondContact O-N 3.17Å; I894-L897 PolarHBondContact O-N 3.04Å; I894-S898 WeakPolarHBondContact O-CB 3.5Å; I894-S898 PolarHBondContact O-N 3.3Å
895	Q	60.5	Low	56.3	Low	126 Å²	126	93 Å²	93	59%	0.589	52%	0.516	S	S	*	.	H	α-helix	trans	-69.4	-40.2	-178.5	-161.2	159.7	11.3	0	0	111.5	Q891 V892 A893 S898 T899	Q891-Q895 WeakPolarHBondContact O-CB 3.31Å; Q891-Q895 PolarHBondContact O-N 3.02Å; V892-Q895 PolarHBondContact O-N 2.96Å; A893-Q895 VanDerWaalsContact C-N 3.31Å; A893-Q895 PolarHBondContact O-N 3.16Å; Q895-S898 WeakPolarHBondContact CA-OG 3.45Å; Q895-S898 PolarHBondContact O-N 2.64Å; Q895-S898 PolarHBondContact O-OG 2.86Å; Q895-T899 PolarHBondContact O-N 3.35Å; Q895-T899 PolarHBondContact O-OG1 2.85Å
896	Q	58.8	Low	56	Low	121 Å²	121	94.4 Å²	94.4	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-60.2	-43.2	172.3	-76.1	176.9	-10.2	0	0	112.2	V892 A893 T899 A900	V892-Q896 WeakPolarHBondContact O-CG 3.45Å; V892-Q896 PolarHBondContact O-N 3.38Å; A893-Q896 PolarHBondContact O-N 3.39Å; Q896-T899 PolarHBondContact O-N 2.73Å; Q896-T899 PolarHBondContact O-OG1 3.33Å; Q896-T899 VanDerWaalsContact O-OG1 3.11Å; Q896-A900 PolarHBondContact O-N 2.85Å
897	L	54.6	Low	56.2	Low	62 Å²	62	96 Å²	96	33%	0.325	53%	0.525	S	S	.	.	H	α-helix	trans	-62.6	-39.1	173.2	-78.1	165.4	0	0	0	112.4	A893 I894 L914 F918	A893-L897 PolarHBondContact O-N 3.07Å; A893-L897 VanDerWaalsContact O-N 3.12Å; I894-L897 PolarHBondContact O-N 3.04Å; L897-L914 HydrophobicContact CD2-CD2 3.97Å; L897-F918 HydrophobicContact CD1-CD1 4.12Å; L897-F918 HydrophobicContact CD1-CD2 3.78Å; L897-F918 HydrophobicContact CD1-CE1 3.81Å; L897-F918 HydrophobicContact CD1-CE2 3.37Å; L897-F918 HydrophobicContact CD1-CG 4.1Å; L897-F918 HydrophobicContact CD1-CZ 3.43Å; L897-F918 VanDerWaalsContact CD1-CZ 3.43Å; L897-F918 HydrophobicContact CG-CD2 4.27Å; L897-F918 HydrophobicContact CG-CE2 4.02Å
898	S	55.3	Low	56.2	Low	67 Å²	67	96.6 Å²	96.6	47%	0.469	53%	0.532	S	S	.	.	H	α-helix	trans	-72.4	-32.8	179.9	76.6	0	0	0	0	113.9	I894 Q895	I894-S898 WeakPolarHBondContact O-CB 3.5Å; I894-S898 PolarHBondContact O-N 3.3Å; Q895-S898 WeakPolarHBondContact CA-OG 3.45Å; Q895-S898 PolarHBondContact O-N 2.64Å; Q895-S898 PolarHBondContact O-OG 2.86Å
899	T	58	Low	55.9	Low	95 Å²	95	98.2 Å²	98.2	58%	0.583	54%	0.54	S	S	*	.	H	α-helix	trans	-79	-23.2	178.3	41.2	0	0	0	0	113.6	Q895 Q896 G901	Q895-T899 PolarHBondContact O-N 3.35Å; Q895-T899 PolarHBondContact O-OG1 2.85Å; Q896-T899 PolarHBondContact O-N 2.73Å; Q896-T899 PolarHBondContact O-OG1 3.33Å; Q896-T899 VanDerWaalsContact O-OG1 3.11Å; T899-G901 PolarHBondContact O-N 3.23Å
900	A	55	Low	55.7	Low	38 Å²	38	95.8 Å²	95.8	31%	0.314	53%	0.533	S	S	.	.	H	α-helix	trans	-67.4	-26.1	174.9	0	0	0	0	0	112.3	Q896 N902 I906	Q896-A900 PolarHBondContact O-N 2.85Å; A900-N902 PolarHBondContact O-N 2.86Å; A900-I906 WeakPolarHBondContact O-CD1 3.34Å
901	G	50	Low	55.9	Low	51 Å²	51	97.5 Å²	97.5	53%	0.526	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-3.9	-174.7	0	0	0	0	0	117.2	T899	T899-G901 PolarHBondContact O-N 3.23Å
902	N	51.4	Low	55.8	Low	139 Å²	139	95.4 Å²	95.4	74%	0.743	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	8.8	-169.1	-83.5	-19.8	0	0	0	116	A900	A900-N902 PolarHBondContact O-N 2.86Å
903	N	50.2	Low	55.7	Low	136 Å²	136	98.1 Å²	98.1	73%	0.727	55%	0.546	S	S	*	.	S	Bend	trans	-122.2	132.6	169.3	-83.7	-25.9	0	0	0	110.9	D905	N903-D905 PolarHBondContact O-N 3.08Å
904	V	53	Low	55.8	Low	145 Å²	145	101 Å²	101	88%	0.879	56%	0.558	S	S	*	*	S	Bend	trans	-75.4	19.4	-157.8	177.2	0	0	0	0	115.6
905	D	55.6	Low	55.9	Low	165 Å²	165	99.5 Å²	99.5	88%	0.882	55%	0.554	S	S	*	*			trans	-143.6	88.6	170.1	-85.3	-46.3	0	0	0	109.4	N903	N903-D905 PolarHBondContact O-N 3.08Å
906	I	53.9	Low	55.9	Low	77 Å²	77	97 Å²	97	40%	0.395	55%	0.547	S	S	.	.			trans	-106.5	116.7	174.5	-50.7	164.7	0	0	0	108.2	A900 V908 L911	A900-I906 WeakPolarHBondContact O-CD1 3.34Å; I906-V908 PolarHBondContact O-N 2.94Å; I906-L911 HydrophobicContact CD1-CD1 4.27Å; I906-L911 HydrophobicContact CG2-CB 4.14Å; I906-L911 HydrophobicContact CG2-CD1 3.68Å
907	N	56.6	Low	56	Low	86 Å²	86	96.1 Å²	96.1	46%	0.46	54%	0.543	S	S	.	.			trans	-63.8	122.6	170.2	-175	9.8	0	0	0	109.2	E909 D910 L911	N907-E909 PolarHBondContact O-N 2.77Å; N907-D910 HydrophobicContact CB-CB 4.46Å; N907-D910 WeakPolarHBondContact CB-OD2 3.45Å; N907-D910 PolarHBondContact ND2-OD2 3.11Å; N907-D910 PolarHBondContact O-N 2.99Å; N907-L911 PolarHBondContact O-N 3.13Å
908	V	56.6	Low	56.3	Low	110 Å²	110	95.5 Å²	95.5	67%	0.667	54%	0.538	S	S	*	.	H	α-helix	trans	-60.9	-29.3	-174.3	179.1	0	0	0	0	111.6	I906 T912	I906-V908 PolarHBondContact O-N 2.94Å; V908-T912 WeakPolarHBondContact O-CB 3.49Å; V908-T912 PolarHBondContact O-N 3.07Å; V908-T912 VanDerWaalsContact O-N 3.07Å; V908-T912 PolarHBondContact O-OG1 2.89Å
909	E	57.7	Low	56.2	Low	139 Å²	139	95.5 Å²	95.5	65%	0.65	54%	0.535	S	S	*	.	H	α-helix	trans	-65.8	-39.4	175	-77.2	-177.9	150.3	0	0	112.9	N907 T912 Q913	N907-E909 PolarHBondContact O-N 2.77Å; E909-T912 PolarHBondContact O-N 2.84Å; E909-Q913 WeakPolarHBondContact O-CG 3.49Å; E909-Q913 PolarHBondContact O-N 3.15Å
910	D	55.4	Low	56.3	Low	93 Å²	93	96.2 Å²	96.2	50%	0.497	53%	0.53	S	S	.	.	H	α-helix	trans	-71.8	-37.5	-178.8	-67.4	-34.3	0	0	0	111.3	N907 Q913 L914	N907-D910 HydrophobicContact CB-CB 4.46Å; N907-D910 WeakPolarHBondContact CB-OD2 3.45Å; N907-D910 PolarHBondContact ND2-OD2 3.11Å; N907-D910 PolarHBondContact O-N 2.99Å; D910-Q913 PolarHBondContact O-N 3.42Å; D910-L914 WeakPolarHBondContact O-CB 3.47Å; D910-L914 PolarHBondContact O-N 3.27Å
911	L	56.8	Low	56.4	Low	78 Å²	78	97.8 Å²	97.8	41%	0.408	53%	0.533	S	S	.	.	H	α-helix	trans	-67	-38.9	174.6	-153.7	103.7	0	0	0	111.3	I906 N907 L914 V915	I906-L911 HydrophobicContact CD1-CD1 4.27Å; I906-L911 HydrophobicContact CG2-CB 4.14Å; I906-L911 HydrophobicContact CG2-CD1 3.68Å; N907-L911 PolarHBondContact O-N 3.13Å; L911-L914 PolarHBondContact O-N 2.92Å; L911-V915 VanDerWaalsContact O-CG2 3.3Å; L911-V915 WeakPolarHBondContact O-CG2 3.5Å; L911-V915 PolarHBondContact O-N 3.29Å
912	T	57.5	Low	56.6	Low	79 Å²	79	98.2 Å²	98.2	49%	0.485	52%	0.523	S	S	.	.	H	α-helix	trans	-68.3	-39.9	178.1	-49.6	0	0	0	0	110.9	V908 E909 V915 T916	V908-T912 WeakPolarHBondContact O-CB 3.49Å; V908-T912 PolarHBondContact O-N 3.07Å; V908-T912 VanDerWaalsContact O-N 3.07Å; V908-T912 PolarHBondContact O-OG1 2.89Å; E909-T912 PolarHBondContact O-N 2.84Å; T912-V915 PolarHBondContact O-N 2.63Å; T912-T916 WeakPolarHBondContact O-CB 3.34Å; T912-T916 PolarHBondContact O-N 3.02Å; T912-T916 PolarHBondContact O-OG1 3.28Å
913	Q	61.3	Low	56.6	Low	134 Å²	134	98.3 Å²	98.3	63%	0.626	52%	0.518	S	S	*	.	H	α-helix	trans	-64	-41.5	173.3	-78	-175.2	8.5	0	0	112.3	E909 D910 T916 Q917	E909-Q913 WeakPolarHBondContact O-CG 3.49Å; E909-Q913 PolarHBondContact O-N 3.15Å; D910-Q913 PolarHBondContact O-N 3.42Å; Q913-T916 PolarHBondContact O-N 3.05Å; Q913-Q917 WeakPolarHBondContact O-CB 3.46Å; Q913-Q917 PolarHBondContact O-N 3.01Å
914	L	57.9	Low	56.8	Low	81 Å²	81	99 Å²	99	42%	0.424	52%	0.517	S	S	.	.	H	α-helix	trans	-63.7	-44.7	178.1	-149.7	96.9	0	0	0	111.4	L897 D910 L911 Q917 F918	L897-L914 HydrophobicContact CD2-CD2 3.97Å; D910-L914 WeakPolarHBondContact O-CB 3.47Å; D910-L914 PolarHBondContact O-N 3.27Å; L911-L914 PolarHBondContact O-N 2.92Å; L914-Q917 PolarHBondContact O-N 3.47Å; L914-F918 WeakPolarHBondContact O-CB 3.44Å; L914-F918 PolarHBondContact O-N 3.27Å
915	V	58.1	Low	56.7	Low	68 Å²	68	95.3 Å²	95.3	41%	0.412	49%	0.492	S	S	.	.	H	α-helix	trans	-64.3	-42.6	175.4	172.7	0	0	0	0	110.7	L911 T912 Q917 F918 T919	L911-V915 VanDerWaalsContact O-CG2 3.3Å; L911-V915 WeakPolarHBondContact O-CG2 3.5Å; L911-V915 PolarHBondContact O-N 3.29Å; T912-V915 PolarHBondContact O-N 2.63Å; V915-Q917 VanDerWaalsContact C-N 3.34Å; V915-Q917 PolarHBondContact O-N 3.07Å; V915-F918 WeakPolarHBondContact O-CB 3.49Å; V915-F918 PolarHBondContact O-N 3.29Å; V915-T919 WeakPolarHBondContact O-CB 3.34Å; V915-T919 PolarHBondContact O-N 2.76Å; V915-T919 PolarHBondContact O-OG1 3.19Å
916	T	60.6	Low	56.5	Low	73 Å²	73	93.6 Å²	93.6	45%	0.448	48%	0.483	S	S	.	.	H	α-helix	trans	-65.6	-37.2	178.8	-49.8	0	0	0	0	112.1	T912 Q913 K920	T912-T916 WeakPolarHBondContact O-CB 3.34Å; T912-T916 PolarHBondContact O-N 3.02Å; T912-T916 PolarHBondContact O-OG1 3.28Å; Q913-T916 PolarHBondContact O-N 3.05Å; T916-K920 WeakPolarHBondContact O-CB 3.36Å; T916-K920 PolarHBondContact O-N 3.41Å
917	Q	60.5	Low	56.4	Low	103 Å²	103	91.7 Å²	91.7	48%	0.481	48%	0.477	S	S	.	.	H	α-helix	trans	-68	-41.2	174	-171.1	61.5	39.1	0	0	110.8	Q913 L914 V915 K920 D921	Q913-Q917 WeakPolarHBondContact O-CB 3.46Å; Q913-Q917 PolarHBondContact O-N 3.01Å; L914-Q917 PolarHBondContact O-N 3.47Å; V915-Q917 VanDerWaalsContact C-N 3.34Å; V915-Q917 PolarHBondContact O-N 3.07Å; Q917-K920 WeakPolarHBondContact O-CB 3.48Å; Q917-K920 PolarHBondContact O-N 2.84Å; Q917-D921 PolarHBondContact NE2-OD1 3.41Å; Q917-D921 WeakPolarHBondContact O-CB 3.4Å; Q917-D921 PolarHBondContact O-N 3.13Å
918	F	60.1	Low	56	Low	49 Å²	49	92.3 Å²	92.3	22%	0.215	48%	0.48	C	S	.	.	H	α-helix	trans	-62.2	-43	174.6	-151.6	-92.7	0	0	0	112.7	A893 L897 L914 V915 D921 I922	A893-F918 VanDerWaalsContact C-CE2 3.46Å; A893-F918 HydrophobicContact CB-CD2 4.21Å; A893-F918 HydrophobicContact CB-CE2 3.14Å; A893-F918 HydrophobicContact CB-CZ 3.38Å; A893-F918 WeakPolarHBondContact O-CE2 3.32Å; L897-F918 HydrophobicContact CD1-CD1 4.12Å; L897-F918 HydrophobicContact CD1-CD2 3.78Å; L897-F918 HydrophobicContact CD1-CE1 3.81Å; L897-F918 HydrophobicContact CD1-CE2 3.37Å; L897-F918 HydrophobicContact CD1-CG 4.1Å; L897-F918 HydrophobicContact CD1-CZ 3.43Å; L897-F918 VanDerWaalsContact CD1-CZ 3.43Å; L897-F918 HydrophobicContact CG-CD2 4.27Å; L897-F918 HydrophobicContact CG-CE2 4.02Å; L914-F918 WeakPolarHBondContact O-CB 3.44Å; L914-F918 PolarHBondContact O-N 3.27Å; V915-F918 WeakPolarHBondContact O-CB 3.49Å; V915-F918 PolarHBondContact O-N 3.29Å; F918-D921 PolarHBondContact O-N 3.39Å; F918-I922 HydrophobicContact CD1-CD1 3.59Å; F918-I922 HydrophobicContact CD1-CG1 4.25Å; F918-I922 HydrophobicContact CE1-CD1 3.56Å; F918-I922 HydrophobicContact CE1-CG1 4.38Å; F918-I922 WeakPolarHBondContact O-CB 3.36Å; F918-I922 WeakPolarHBondContact O-CG1 3.1Å; F918-I922 PolarHBondContact O-N 2.92Å
919	T	54	Low	55.6	Low	66 Å²	66	94.6 Å²	94.6	41%	0.405	48%	0.478	S	S	.	.	H	α-helix	trans	-63.3	-42.4	175	-53.1	0	0	0	0	110.5	V915 I922 E923	V915-T919 WeakPolarHBondContact O-CB 3.34Å; V915-T919 PolarHBondContact O-N 2.76Å; V915-T919 PolarHBondContact O-OG1 3.19Å; T919-I922 PolarHBondContact O-N 3.13Å; T919-E923 HydrophobicContact CG2-CG 4.45Å; T919-E923 WeakPolarHBondContact O-CB 3.39Å; T919-E923 WeakPolarHBondContact O-CG 3.2Å; T919-E923 PolarHBondContact O-N 2.91Å
920	K	59.4	Low	55.3	Low	110 Å²	110	90.7 Å²	90.7	48%	0.478	46%	0.459	S	S	.	.	H	α-helix	trans	-63.5	-40.5	173.6	-88.9	-177.2	174.5	176.9	0	113.5	T916 Q917 I922 E923 Q924	T916-K920 WeakPolarHBondContact O-CB 3.36Å; T916-K920 PolarHBondContact O-N 3.41Å; Q917-K920 WeakPolarHBondContact O-CB 3.48Å; Q917-K920 PolarHBondContact O-N 2.84Å; K920-I922 VanDerWaalsContact C-N 3.32Å; K920-E923 PolarHBondContact O-N 2.74Å; K920-Q924 WeakPolarHBondContact O-CB 3.44Å; K920-Q924 VanDerWaalsContact O-CG 3.27Å; K920-Q924 WeakPolarHBondContact O-CG 3.32Å; K920-Q924 PolarHBondContact O-N 3.5Å
921	D	57.7	Low	55.2	Low	71 Å²	71	91.2 Å²	91.2	38%	0.38	46%	0.457	S	S	.	.	H	α-helix	trans	-70.4	-32.9	-179.6	-66.1	-14	0	0	0	110.6	Q917 F918 L925	Q917-D921 PolarHBondContact NE2-OD1 3.41Å; Q917-D921 WeakPolarHBondContact O-CB 3.4Å; Q917-D921 PolarHBondContact O-N 3.13Å; F918-D921 PolarHBondContact O-N 3.39Å; D921-L925 WeakPolarHBondContact O-CD1 3.41Å; D921-L925 VanDerWaalsContact O-CG 3.3Å; D921-L925 WeakPolarHBondContact O-CG 3.47Å; D921-L925 PolarHBondContact O-N 3.38Å
922	I	55.1	Low	54.7	Low	61 Å²	61	90.6 Å²	90.6	31%	0.313	46%	0.459	S	S	.	.	H	α-helix	trans	-72.3	-40.8	170.3	-71.8	179.7	0	0	0	111.9	F918 T919 K920 Q924 L925 L934	F918-I922 HydrophobicContact CD1-CD1 3.59Å; F918-I922 HydrophobicContact CD1-CG1 4.25Å; F918-I922 HydrophobicContact CE1-CD1 3.56Å; F918-I922 HydrophobicContact CE1-CG1 4.38Å; F918-I922 WeakPolarHBondContact O-CB 3.36Å; F918-I922 WeakPolarHBondContact O-CG1 3.1Å; F918-I922 PolarHBondContact O-N 2.92Å; T919-I922 PolarHBondContact O-N 3.13Å; K920-I922 VanDerWaalsContact C-N 3.32Å; I922-Q924 PolarHBondContact O-N 2.98Å; I922-L925 WeakPolarHBondContact O-CB 3.47Å; I922-L925 PolarHBondContact O-N 2.87Å; I922-L934 HydrophobicContact CG2-CD1 4.22Å
923	E	51.5	Low	54.1	Low	140 Å²	140	90.2 Å²	90.2	65%	0.654	46%	0.456	S	S	*	.	H	α-helix	trans	-64.1	-24.4	174.8	-76.6	171.8	172.6	0	0	112.4	T919 K920	T919-E923 HydrophobicContact CG2-CG 4.45Å; T919-E923 WeakPolarHBondContact O-CB 3.39Å; T919-E923 WeakPolarHBondContact O-CG 3.2Å; T919-E923 PolarHBondContact O-N 2.91Å; K920-E923 PolarHBondContact O-N 2.74Å
924	Q	53.9	Low	53.3	Low	151 Å²	151	88.2 Å²	88.2	71%	0.706	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-14.9	172.5	-74	176.6	17	0	0	113.7	K920 I922 D926	K920-Q924 WeakPolarHBondContact O-CB 3.44Å; K920-Q924 VanDerWaalsContact O-CG 3.27Å; K920-Q924 WeakPolarHBondContact O-CG 3.32Å; K920-Q924 PolarHBondContact O-N 3.5Å; I922-Q924 PolarHBondContact O-N 2.98Å; Q924-D926 PolarHBondContact O-N 3Å
925	L	50.9	Low	52.6	Low	67 Å²	67	87.9 Å²	87.9	35%	0.351	46%	0.458	S	S	.	.	S	Bend	trans	-91.2	77.4	174.4	-72.6	161.4	0	0	0	108.5	L886 D921 I922 S927	L886-L925 HydrophobicContact CD1-CD2 4.06Å; L886-L925 HydrophobicContact CG-CD2 4.46Å; D921-L925 WeakPolarHBondContact O-CD1 3.41Å; D921-L925 VanDerWaalsContact O-CG 3.3Å; D921-L925 WeakPolarHBondContact O-CG 3.47Å; D921-L925 PolarHBondContact O-N 3.38Å; I922-L925 WeakPolarHBondContact O-CB 3.47Å; I922-L925 PolarHBondContact O-N 2.87Å; L925-S927 VanDerWaalsContact C-N 3.28Å; L925-S927 PolarHBondContact O-N 3.07Å
926	D	50.3	Low	51.8	Low	130 Å²	130	89.8 Å²	89.8	70%	0.695	47%	0.47	S	S	*	.			trans	-68	77.5	-176.8	-160.5	19.6	0	0	0	111.9	Q924 K931	Q924-D926 PolarHBondContact O-N 3Å; D926-K931 VanDerWaalsContact OD1-CE 3.26Å; D926-K931 WeakPolarHBondContact OD1-CE 2.91Å; D926-K931 IonicContact OD1-NZ 3.46Å; D926-K931 PolarHBondContact OD1-NZ 3.04Å
927	S	53.7	Low	50.5	Low	37 Å²	37	90.1 Å²	90.1	26%	0.259	48%	0.475	S	S	.	.			trans	-126.4	122.4	-177.4	173.8	0	0	0	0	111.5	L925 Y929 F930 K931	L925-S927 VanDerWaalsContact C-N 3.28Å; L925-S927 PolarHBondContact O-N 3.07Å; S927-Y929 VanDerWaalsContact C-N 3.25Å; S927-Y929 PolarHBondContact O-N 3.32Å; S927-F930 PolarHBondContact O-N 3.46Å; S927-F930 VanDerWaalsContact O-N 3.1Å; S927-K931 PolarHBondContact O-N 3.43Å
928	D	47.4	Very low	49.2	Very low	99 Å²	99	94 Å²	94	53%	0.529	49%	0.494	S	S	.	.	H	α-helix	trans	-65.1	-26.6	-176.9	-68.4	-34.2	0	0	0	113.7	F930 K931 S932	D928-F930 VanDerWaalsContact C-N 3.33Å; D928-F930 PolarHBondContact O-N 2.81Å; D928-K931 PolarHBondContact O-N 3.35Å; D928-K931 IonicContact OD1-NZ 3.74Å; D928-S932 WeakPolarHBondContact O-CB 3.38Å; D928-S932 PolarHBondContact O-N 3.43Å
929	Y	47.1	Very low	47.6	Very low	158 Å²	158	99 Å²	99	62%	0.62	54%	0.543	S	S	*	.	H	α-helix	trans	-60.3	-43.5	172.6	-177.7	-99.1	0	0	0	111.1	S927 S932 V933	S927-Y929 VanDerWaalsContact C-N 3.25Å; S927-Y929 PolarHBondContact O-N 3.32Å; Y929-S932 PolarHBondContact O-N 3.48Å; Y929-S932 PolarHBondContact O-OG 2.72Å; Y929-V933 HydrophobicContact CE1-CG2 4.43Å; Y929-V933 WeakPolarHBondContact O-CG2 3.43Å; Y929-V933 PolarHBondContact O-N 3.08Å
930	F	53.1	Low	47.3	Very low	56 Å²	56	100.6 Å²	100.6	25%	0.246	55%	0.55	C	S	.	*	H	α-helix	trans	-77.4	-33.5	-179.5	-76.2	-76.9	0	0	0	113.4	L886 I890 S927 D928 S932 V933 L934	L886-F930 HydrophobicContact CD2-CE2 4.33Å; I890-F930 HydrophobicContact CD1-CE1 3.81Å; I890-F930 HydrophobicContact CD1-CE2 3.74Å; I890-F930 HydrophobicContact CD1-CZ 3.18Å; S927-F930 PolarHBondContact O-N 3.46Å; S927-F930 VanDerWaalsContact O-N 3.1Å; D928-F930 VanDerWaalsContact C-N 3.33Å; D928-F930 PolarHBondContact O-N 2.81Å; F930-S932 VanDerWaalsContact C-N 3.28Å; F930-S932 PolarHBondContact O-N 2.94Å; F930-V933 PolarHBondContact O-N 3.32Å; F930-L934 PolarHBondContact O-N 3.16Å
931	K	52.1	Low	46.7	Very low	105 Å²	105	100.1 Å²	100.1	46%	0.457	55%	0.554	S	S	.	*	H	α-helix	trans	-61.5	-37.3	170.8	-68.2	177.8	-175.1	166	0	111.7	D926 S927 D928 A935	D926-K931 VanDerWaalsContact OD1-CE 3.26Å; D926-K931 WeakPolarHBondContact OD1-CE 2.91Å; D926-K931 IonicContact OD1-NZ 3.46Å; D926-K931 PolarHBondContact OD1-NZ 3.04Å; S927-K931 PolarHBondContact O-N 3.43Å; D928-K931 PolarHBondContact O-N 3.35Å; D928-K931 IonicContact OD1-NZ 3.74Å; K931-A935 WeakPolarHBondContact O-CB 3.42Å; K931-A935 PolarHBondContact O-N 3.24Å
932	S	47.3	Very low	46.1	Very low	65 Å²	65	101.7 Å²	101.7	46%	0.455	56%	0.564	S	S	.	*	H	α-helix	trans	-68.6	-33.6	175.8	79.7	0	0	0	0	113.7	D928 Y929 F930 T936	D928-S932 WeakPolarHBondContact O-CB 3.38Å; D928-S932 PolarHBondContact O-N 3.43Å; Y929-S932 PolarHBondContact O-N 3.48Å; Y929-S932 PolarHBondContact O-OG 2.72Å; F930-S932 VanDerWaalsContact C-N 3.28Å; F930-S932 PolarHBondContact O-N 2.94Å; S932-T936 PolarHBondContact O-N 2.93Å; S932-T936 PolarHBondContact O-OG1 3.43Å
933	V	44.2	Very low	45.5	Very low	71 Å²	71	104.1 Å²	104.1	43%	0.43	58%	0.579	S	S	.	*	H	α-helix	trans	-76.1	-36.3	176.9	173	0	0	0	0	111.7	Y929 F930 T936	Y929-V933 HydrophobicContact CE1-CG2 4.43Å; Y929-V933 WeakPolarHBondContact O-CG2 3.43Å; Y929-V933 PolarHBondContact O-N 3.08Å; F930-V933 PolarHBondContact O-N 3.32Å; V933-T936 WeakPolarHBondContact CA-OG1 3.36Å; V933-T936 PolarHBondContact O-N 3.14Å; V933-T936 PolarHBondContact O-OG1 2.94Å
934	L	43.6	Very low	45.2	Very low	91 Å²	91	101.9 Å²	101.9	48%	0.476	57%	0.574	S	S	.	*	H	α-helix	trans	-69.4	-40.1	174.3	-80	161.1	0	0	0	112	I922 F930 T936 S937	I922-L934 HydrophobicContact CG2-CD1 4.22Å; F930-L934 PolarHBondContact O-N 3.16Å; L934-T936 PolarHBondContact O-N 2.74Å; L934-S937 PolarHBondContact O-N 3.33Å; L934-S937 PolarHBondContact O-OG 2.67Å
935	A	44.5	Very low	44.6	Very low	74 Å²	74	98.6 Å²	98.6	61%	0.612	57%	0.565	S	S	*	*	H	α-helix	trans	-65.3	-21.4	176.1	0	0	0	0	0	113.9	K931	K931-A935 WeakPolarHBondContact O-CB 3.42Å; K931-A935 PolarHBondContact O-N 3.24Å
936	T	40	Very low	44.1	Very low	108 Å²	108	100.9 Å²	100.9	66%	0.663	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-9.4	172.3	23.3	0	0	0	0	113.3	S932 V933 L934	S932-T936 PolarHBondContact O-N 2.93Å; S932-T936 PolarHBondContact O-OG1 3.43Å; V933-T936 WeakPolarHBondContact CA-OG1 3.36Å; V933-T936 PolarHBondContact O-N 3.14Å; V933-T936 PolarHBondContact O-OG1 2.94Å; L934-T936 PolarHBondContact O-N 2.74Å
937	S	34	Very low	43.7	Very low	80 Å²	80	98.6 Å²	98.6	56%	0.559	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-8.1	-178.5	74	0	0	0	0	114.9	L934 A939	L934-S937 PolarHBondContact O-N 3.33Å; L934-S937 PolarHBondContact O-OG 2.67Å; S937-A939 VanDerWaalsContact C-N 3.33Å
938	E	33.2	Very low	42.8	Very low	186 Å²	186	103.8 Å²	103.8	87%	0.869	60%	0.598	S	S	*	*			trans	-89.2	10.9	172.4	-72.6	-169.9	152.3	0	0	113.8
939	A	27.6	Very low	42.4	Very low	152 Å²	152	104.2 Å²	104.2	100%	1.256	60%	0.604	S	S	*	*			trans	-103.3	0	174.9	0	0	0	0	0	113	S937	S937-A939 VanDerWaalsContact C-N 3.33Å

Retrieved 939 of 939 residues in 2812.5 ms (Link to these results)

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