A0A087XY84_POEFO Loading...

Complement component C9

Pore-forming component of the membrane attack complex (MAC), a multiprotein complex activated by the complement cascade, which inserts into a target cell membrane and forms a pore, leading to target cell membrane rupture and cell lysis. The MAC is initiated by proteolytic cleavage of C5 into complement C5b in response to the classical, alternative, lectin and GZMK complement pathways. The complement pathways consist in a cascade of proteins that leads to phagocytosis and breakdown of pathogens and signaling that strengthens the adaptive immune system. Constitutes the pore-forming subunit of the MAC complex: during MAC assembly, C9 associates with the C5b8 intermediate complex, and polymerizes to complete the pore.

AlphaFold DB , UniProt , Accession A0A087XY84, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 590 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.7	Very low	49.9	Very low	224 Å²	224	115.4 Å²	115.4	100%	1.103	64%	0.638	S	S	*	*				0	-10	0	-88.6	-175.3	-93	0	0	115.8
2	R	49.5	Very low	50.1	Low	239 Å²	239	110.4 Å²	110.4	90%	0.902	62%	0.617	S	S	*	*			trans	-94.3	-16.5	-178.8	-74.3	-176	174.3	176.8	-1.9	116.4
3	A	45.9	Very low	50.1	Low	79 Å²	79	106.2 Å²	106.2	65%	0.653	61%	0.605	S	S	*	*	H	α-helix	trans	-87.1	-32.6	-179	0	0	0	0	0	114	V5	A3-V5 PolarHBondContact O-N 3.45Å
4	A	45.6	Very low	49.9	Very low	68 Å²	68	106.8 Å²	106.8	56%	0.562	61%	0.605	S	S	*	*	H	α-helix	trans	-69.8	-33.4	-178.5	0	0	0	0	0	113	Q8	A4-Q8 PolarHBondContact O-N 3.18Å
5	V	51.1	Low	49.7	Very low	81 Å²	81	105.2 Å²	105.2	49%	0.491	60%	0.602	S	S	.	*	H	α-helix	trans	-73.5	-31.4	-179.2	-176.9	0	0	0	0	111.8	A3 L9	A3-V5 PolarHBondContact O-N 3.45Å; V5-L9 HydrophobicContact CG1-CD1 4.05Å; V5-L9 PolarHBondContact O-N 3.07Å
6	A	49.5	Very low	49.2	Very low	59 Å²	59	105.2 Å²	105.2	49%	0.488	60%	0.599	S	S	.	*	H	α-helix	trans	-70.6	-36.7	178.8	0	0	0	0	0	112.7	S10	A6-S10 PolarHBondContact O-N 3.41Å; A6-S10 VanDerWaalsContact O-N 3.11Å; A6-S10 PolarHBondContact O-OG 3.11Å
7	V	52.7	Low	48.9	Very low	85 Å²	85	104.1 Å²	104.1	52%	0.515	60%	0.595	S	S	.	*	H	α-helix	trans	-72.3	-35.7	178.2	177.4	0	0	0	0	111.5	S10 L11	V7-S10 PolarHBondContact O-N 2.99Å; V7-S10 PolarHBondContact O-OG 3.46Å; V7-L11 HydrophobicContact CG1-CD1 3.74Å; V7-L11 VanDerWaalsContact O-CD1 3.29Å; V7-L11 WeakPolarHBondContact O-CD1 3.39Å; V7-L11 PolarHBondContact O-N 3.21Å; V7-L11 VanDerWaalsContact O-N 3.08Å
8	Q	51.9	Low	48.4	Very low	143 Å²	143	105.1 Å²	105.1	67%	0.668	60%	0.597	S	S	*	*	H	α-helix	trans	-67.6	-37.7	175.6	-107.8	169.2	-27.6	0	0	112.5	A4 S12	A4-Q8 PolarHBondContact O-N 3.18Å; Q8-S12 PolarHBondContact O-N 3.37Å; Q8-S12 VanDerWaalsContact O-N 3.11Å; Q8-S12 PolarHBondContact O-OG 3.01Å
9	L	49.6	Very low	47.9	Very low	112 Å²	112	105.2 Å²	105.2	59%	0.586	60%	0.6	S	S	*	*	H	α-helix	trans	-70.9	-34.3	175.8	-78.3	160.9	0	0	0	112.6	V5 S12 A13	V5-L9 HydrophobicContact CG1-CD1 4.05Å; V5-L9 PolarHBondContact O-N 3.07Å; L9-S12 WeakPolarHBondContact CA-OG 3.43Å; L9-S12 PolarHBondContact O-OG 3.45Å; L9-A13 VanDerWaalsContact O-CB 3.29Å; L9-A13 WeakPolarHBondContact O-CB 3.29Å; L9-A13 PolarHBondContact O-N 3.32Å
10	S	52.8	Low	47.4	Very low	64 Å²	64	106.9 Å²	106.9	45%	0.448	61%	0.606	S	S	.	*	H	α-helix	trans	-72.6	-37	176	64	0	0	0	0	112.9	A6 V7 L14	A6-S10 PolarHBondContact O-N 3.41Å; A6-S10 VanDerWaalsContact O-N 3.11Å; A6-S10 PolarHBondContact O-OG 3.11Å; V7-S10 PolarHBondContact O-N 2.99Å; V7-S10 PolarHBondContact O-OG 3.46Å; S10-L14 PolarHBondContact O-N 3.23Å
11	L	51.6	Low	46.8	Very low	115 Å²	115	104.6 Å²	104.6	60%	0.602	60%	0.598	S	S	*	*	H	α-helix	trans	-70.3	-36.6	175.3	-96.6	102.5	0	0	0	112.6	V7 L14 C15	V7-L11 HydrophobicContact CG1-CD1 3.74Å; V7-L11 VanDerWaalsContact O-CD1 3.29Å; V7-L11 WeakPolarHBondContact O-CD1 3.39Å; V7-L11 PolarHBondContact O-N 3.21Å; V7-L11 VanDerWaalsContact O-N 3.08Å; L11-L14 PolarHBondContact O-N 2.8Å; L11-C15 WeakPolarHBondContact O-CB 3.43Å; L11-C15 PolarHBondContact O-N 3.42Å
12	S	51.8	Low	46.2	Very low	56 Å²	56	101.6 Å²	101.6	39%	0.392	59%	0.586	S	S	.	*	H	α-helix	trans	-74	-31.3	176.4	41.9	0	0	0	0	112.4	Q8 L9 L16	Q8-S12 PolarHBondContact O-N 3.37Å; Q8-S12 VanDerWaalsContact O-N 3.11Å; Q8-S12 PolarHBondContact O-OG 3.01Å; L9-S12 WeakPolarHBondContact CA-OG 3.43Å; L9-S12 PolarHBondContact O-OG 3.45Å; S12-L16 WeakPolarHBondContact O-CD1 3.29Å; S12-L16 PolarHBondContact O-N 3.49Å
13	A	51	Low	45.7	Very low	55 Å²	55	95.3 Å²	95.3	46%	0.455	57%	0.574	S	S	.	*	H	α-helix	trans	-67	-39.5	168.3	0	0	0	0	0	112.5	L9 L16 T17	L9-A13 VanDerWaalsContact O-CB 3.29Å; L9-A13 WeakPolarHBondContact O-CB 3.29Å; L9-A13 PolarHBondContact O-N 3.32Å; A13-L16 PolarHBondContact O-N 3.18Å; A13-T17 VanDerWaalsContact O-CG2 3.29Å; A13-T17 WeakPolarHBondContact O-CG2 3.46Å; A13-T17 PolarHBondContact O-N 3.47Å; A13-T17 PolarHBondContact O-OG1 2.92Å
14	L	47.4	Very low	45.3	Very low	115 Å²	115	94.4 Å²	94.4	60%	0.602	57%	0.572	S	S	*	*	H	α-helix	trans	-64.2	-42.2	174	-126.4	86.5	0	0	0	111.7	S10 L11 T17 L18	S10-L14 PolarHBondContact O-N 3.23Å; L11-L14 PolarHBondContact O-N 2.8Å; L14-T17 WeakPolarHBondContact CA-OG1 3.33Å; L14-T17 PolarHBondContact O-N 3Å; L14-T17 PolarHBondContact O-OG1 3.11Å; L14-L18 PolarHBondContact O-N 3.08Å
15	C	46.3	Very low	45.1	Very low	83 Å²	83	98.4 Å²	98.4	56%	0.561	58%	0.583	S	S	*	*	H	α-helix	trans	-64.8	-39.2	174.8	-108.1	0	0	0	0	112.4	L11 L18 T19	L11-C15 WeakPolarHBondContact O-CB 3.43Å; L11-C15 PolarHBondContact O-N 3.42Å; C15-L18 PolarHBondContact O-N 3.35Å; C15-T19 WeakPolarHBondContact O-CG2 3.29Å; C15-T19 PolarHBondContact O-N 3Å; C15-T19 PolarHBondContact O-OG1 2.62Å
16	L	41.4	Very low	45.3	Very low	105 Å²	105	96.6 Å²	96.6	55%	0.55	58%	0.577	S	S	.	*	H	α-helix	trans	-70	-32.1	174.4	-103.4	97.4	0	0	0	112.9	S12 A13 L18 T19 L20	S12-L16 WeakPolarHBondContact O-CD1 3.29Å; S12-L16 PolarHBondContact O-N 3.49Å; A13-L16 PolarHBondContact O-N 3.18Å; L16-L18 VanDerWaalsContact C-N 3.35Å; L16-T19 WeakPolarHBondContact CA-OG1 3.32Å; L16-T19 PolarHBondContact O-N 2.91Å; L16-T19 PolarHBondContact O-OG1 3.36Å; L16-L20 WeakPolarHBondContact O-CB 2.95Å; L16-L20 WeakPolarHBondContact O-CG 3.18Å; L16-L20 PolarHBondContact O-N 3.11Å
17	T	44.6	Very low	45.9	Very low	87 Å²	87	102 Å²	102	53%	0.534	59%	0.592	S	S	.	*	H	α-helix	trans	-70.8	-31.7	173.7	56.3	0	0	0	0	112.5	A13 L14 S21	A13-T17 VanDerWaalsContact O-CG2 3.29Å; A13-T17 WeakPolarHBondContact O-CG2 3.46Å; A13-T17 PolarHBondContact O-N 3.47Å; A13-T17 PolarHBondContact O-OG1 2.92Å; L14-T17 WeakPolarHBondContact CA-OG1 3.33Å; L14-T17 PolarHBondContact O-N 3Å; L14-T17 PolarHBondContact O-OG1 3.11Å; T17-S21 PolarHBondContact O-N 3.29Å; T17-S21 VanDerWaalsContact O-N 3.1Å; T17-S21 PolarHBondContact O-OG 2.82Å; T17-S21 VanDerWaalsContact O-OG 3.04Å
18	L	40.8	Very low	46.9	Very low	121 Å²	121	103.4 Å²	103.4	63%	0.634	60%	0.601	S	S	*	*	H	α-helix	trans	-73.8	-28.2	173.5	-82.6	156.4	0	0	0	113	L14 C15 L16 S21	L14-L18 PolarHBondContact O-N 3.08Å; C15-L18 PolarHBondContact O-N 3.35Å; L16-L18 VanDerWaalsContact C-N 3.35Å; L18-S21 PolarHBondContact O-OG 3.09Å
19	T	38.8	Very low	48.3	Very low	108 Å²	108	100.3 Å²	100.3	66%	0.663	59%	0.588	S	S	*	*	H	α-helix	trans	-85.8	-18	175.1	58	0	0	0	0	113.9	C15 L16	C15-T19 WeakPolarHBondContact O-CG2 3.29Å; C15-T19 PolarHBondContact O-N 3Å; C15-T19 PolarHBondContact O-OG1 2.62Å; L16-T19 WeakPolarHBondContact CA-OG1 3.32Å; L16-T19 PolarHBondContact O-N 2.91Å; L16-T19 PolarHBondContact O-OG1 3.36Å
20	L	37.3	Very low	49.9	Very low	138 Å²	138	100.2 Å²	100.2	72%	0.723	59%	0.594	S	S	*	*	H	α-helix	trans	-95.9	-17.4	175.5	-75.7	164	0	0	0	113.8	L16 N22	L16-L20 WeakPolarHBondContact O-CB 2.95Å; L16-L20 WeakPolarHBondContact O-CG 3.18Å; L16-L20 PolarHBondContact O-N 3.11Å; L20-N22 VanDerWaalsContact C-N 3.32Å; L20-N22 PolarHBondContact O-N 2.96Å; L20-N22 VanDerWaalsContact O-N 3.12Å
21	S	35.2	Very low	51.5	Low	60 Å²	60	102.9 Å²	102.9	42%	0.42	60%	0.6	S	S	.	*			trans	-81.8	84.8	163.7	60.6	0	0	0	0	108.6	T17 L18 V23	T17-S21 PolarHBondContact O-N 3.29Å; T17-S21 VanDerWaalsContact O-N 3.1Å; T17-S21 PolarHBondContact O-OG 2.82Å; T17-S21 VanDerWaalsContact O-OG 3.04Å; L18-S21 PolarHBondContact O-OG 3.09Å; S21-V23 PolarHBondContact O-N 3.27Å
22	N	35.3	Very low	53.2	Low	161 Å²	161	98.8 Å²	98.8	86%	0.861	58%	0.58	S	S	*	*			trans	-67.1	59.6	164.6	-138.3	-2.1	0	0	0	108.7	L20 G24	L20-N22 VanDerWaalsContact C-N 3.32Å; L20-N22 PolarHBondContact O-N 2.96Å; L20-N22 VanDerWaalsContact O-N 3.12Å; N22-G24 PolarHBondContact O-N 3.21Å
23	V	39.5	Very low	55.1	Low	106 Å²	106	103 Å²	103	64%	0.642	60%	0.598	S	S	*	*			trans	-70.1	87	163.8	-176.5	0	0	0	0	103.4	S21 L25	S21-V23 PolarHBondContact O-N 3.27Å; V23-L25 HydrophobicContact CG1-CD1 4.48Å; V23-L25 PolarHBondContact O-N 3.12Å
24	G	38.2	Very low	57.2	Low	60 Å²	60	103.3 Å²	103.3	62%	0.619	60%	0.601	S	S	*	*			trans	-58.9	92.8	170.5	0	0	0	0	0	107.5	N22 A26	N22-G24 PolarHBondContact O-N 3.21Å; G24-A26 PolarHBondContact O-N 3.1Å
25	L	41	Very low	59.5	Low	153 Å²	153	99.6 Å²	99.6	80%	0.801	58%	0.582	S	S	*	*			trans	-55.5	112.4	158.8	-97.8	85	0	0	0	104.4	V23 E27	V23-L25 HydrophobicContact CG1-CD1 4.48Å; V23-L25 PolarHBondContact O-N 3.12Å; L25-E27 PolarHBondContact O-N 3.44Å
26	A	54.8	Low	61.9	Low	42 Å²	42	100.1 Å²	100.1	35%	0.347	58%	0.58	S	S	.	*			trans	-52.7	117.7	171.7	0	0	0	0	0	107.4	G24 V28 A531	G24-A26 PolarHBondContact O-N 3.1Å; A26-V28 PolarHBondContact O-N 3.06Å; A26-A531 HydrophobicContact CB-CB 3.94Å
27	E	61.9	Low	64.6	Low	172 Å²	172	96.3 Å²	96.3	80%	0.804	56%	0.562	S	S	*	*			trans	-60.2	113.5	178	-167.8	174.2	-175.3	0	0	107.8	L25 L29	L25-E27 PolarHBondContact O-N 3.44Å; E27-L29 PolarHBondContact O-N 3.16Å
28	V	74.3	Confident	67.1	Low	116 Å²	116	97.9 Å²	97.9	70%	0.703	56%	0.561	S	S	*	*			trans	-74	109.6	177.6	-179.8	0	0	0	0	106.8	A26	A26-V28 PolarHBondContact O-N 3.06Å
29	L	80.7	Confident	69.8	Low	78 Å²	78	95.1 Å²	95.1	41%	0.408	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-71.9	144.7	176.4	-63.4	174.4	0	0	0	109.8	E27 Q527 N528	E27-L29 PolarHBondContact O-N 3.16Å; L29-Q527 HydrophobicContact CB-CG 4.05Å; L29-N528 WeakPolarHBondContact CA-OD1 3.08Å; L29-N528 WeakPolarHBondContact CB-OD1 3.42Å; L29-N528 PolarHBondContact N-OD1 3.35Å; L29-N528 PolarHBondContact O-ND2 2.03Å; L29-N528 PolarHBondContact O-OD1 3.41Å
30	P	83.9	Confident	72.5	Confident	110 Å²	110	91.5 Å²	91.5	71%	0.714	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-59.6	152.7	175.8	26.3	-34.3	0	0	0	110.9
31	E	85.2	Confident	75.3	Confident	120 Å²	120	93.4 Å²	93.4	56%	0.561	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-63.5	143.3	174.2	-63.3	-167.5	148.7	0	0	110.8	L524	E31-L524 HydrophobicContact CB-CD1 4.44Å; E31-L524 HydrophobicContact CG-CD1 4.48Å; E31-L524 VanDerWaalsContact OE2-CD1 3.25Å; E31-L524 WeakPolarHBondContact OE2-CD1 3.46Å
32	P	88.8	Confident	78.2	Confident	28 Å²	28	94.6 Å²	94.6	18%	0.182	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-58.3	148.9	172.4	-21	31.8	0	0	0	110.6	A34 F68	P32-A34 PolarHBondContact O-N 3.38Å; P32-F68 HydrophobicContact CB-CB 4.25Å; P32-F68 HydrophobicContact CB-CD1 4.3Å; P32-F68 HydrophobicContact CB-CD2 3.69Å; P32-F68 HydrophobicContact CB-CE2 4.04Å; P32-F68 HydrophobicContact CB-CG 3.82Å; P32-F68 HydrophobicContact CB-CZ 4.5Å; P32-F68 HydrophobicContact CG-CD1 4.26Å; P32-F68 HydrophobicContact CG-CD2 4.46Å; P32-F68 HydrophobicContact CG-CE1 4.44Å; P32-F68 HydrophobicContact CG-CG 4.28Å
33	N	91.4	Very high	81	Confident	146 Å²	146	89.3 Å²	89.3	78%	0.781	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-56.9	132.4	176.1	-66.5	-25.4	0	0	0	110.6	V35	N33-V35 PolarHBondContact O-N 3.39Å
34	A	95.2	Very high	83.6	Confident	61 Å²	61	92.9 Å²	92.9	50%	0.504	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-56.2	137.5	173.2	0	0	0	0	0	110.3	P32 F68	P32-A34 PolarHBondContact O-N 3.38Å; A34-F68 WeakPolarHBondContact CA-O 3.19Å
35	V	95.9	Very high	86.2	Confident	36 Å²	36	93.8 Å²	93.8	22%	0.218	49%	0.492	C	S	.	.	B	Isolated β-bridge	trans	-114	112	174	-179.2	0	0	0	0	106.6	N33 A64 G66 Q67 F68 G70 K498	N33-V35 PolarHBondContact O-N 3.39Å; V35-A64 HydrophobicContact CG1-CB 4.44Å; V35-G66 CarbonylContact O-C 3.58Å; V35-G66 WeakPolarHBondContact O-CA 3.45Å; V35-Q67 HydrophobicContact CB-CB 4.16Å; V35-Q67 PolarHBondContact N-O 2.91Å; V35-Q67 PolarHBondContact O-N 3.19Å; V35-F68 HydrophobicContact CG2-CD2 4.42Å; V35-G70 WeakPolarHBondContact O-CA 3.37Å; V35-K498 HydrophobicContact CG2-CG 4.32Å
36	D	96.9	Very high	88.5	Confident	95 Å²	95	89.2 Å²	89.2	51%	0.508	47%	0.47	S	S	.	.			trans	-81	154.4	175.1	-64.6	-36.9	0	0	0	111.3	K38 G70 E71	D36-K38 PolarHBondContact O-N 3.49Å; D36-G70 WeakPolarHBondContact OD1-CA 3.33Å; D36-E71 PolarHBondContact OD1-N 2.93Å
37	C	97.1	Very high	90	Very high	25 Å²	25	92.1 Å²	92.1	17%	0.169	49%	0.488	C	S	.	.			trans	-51.7	125.9	170.9	178.4	0	0	0	0	111.3	W39 A64 E71 C73	C37-W39 PolarHBondContact SG-NE1 2.63Å; C37-A64 WeakPolarHBondContact CA-O 3.49Å; C37-E71 VanDerWaalsContact CB-O 3.3Å; C37-E71 WeakPolarHBondContact CB-O 3.31Å; C37-E71 PolarHBondContact N-O 3.21Å; C37-C73 HydrophobicContact CB-CB 4.02Å; C37-C73 WeakPolarHBondContact CB-SG 3.44Å; C37-C73 WeakPolarHBondContact SG-CA 3.33Å; C37-C73 WeakPolarHBondContact SG-CB 3.5Å; C37-C73 CovalentContact SG-SG 2.02Å; C37-C73 PolarHBondContact SG-SG 2.05Å
38	K	97.3	Very high	91.1	Very high	120 Å²	120	85.1 Å²	85.1	52%	0.522	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.3	175	-166	-175.7	-177.5	-145.3	0	110	D36 E63 A64	D36-K38 PolarHBondContact O-N 3.49Å; K38-E63 HydrophobicContact CB-CB 4.34Å; K38-E63 HydrophobicContact CD-CB 4.24Å; K38-E63 WeakPolarHBondContact CD-OE2 3.37Å; K38-E63 WeakPolarHBondContact CE-OE2 3.46Å; K38-E63 HydrophobicContact CG-CB 4.31Å; K38-E63 IonicContact NZ-OE2 2.84Å; K38-E63 PolarHBondContact NZ-OE2 2.98Å; K38-E63 PolarHBondContact O-N 2.84Å; K38-A64 HydrophobicContact CB-CB 3.96Å; K38-A64 PolarHBondContact N-O 3.26Å; K38-A64 PolarHBondContact O-N 3.34Å
39	W	96.3	Very high	91.2	Very high	63 Å²	63	81.6 Å²	81.6	24%	0.239	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	147.1	173.8	-59.9	94.9	0	0	0	110.7	C37 R60 G61 I62 C73 G75 I77	C37-W39 PolarHBondContact SG-NE1 2.63Å; W39-R60 HydrophobicContact CE3-CG 4.13Å; W39-G61 CarbonylContact C-O 3.5Å; W39-G61 WeakPolarHBondContact CA-O 3.36Å; W39-I62 HydrophobicContact CE3-CG1 3.7Å; W39-I62 HydrophobicContact CH2-CD1 4.08Å; W39-I62 HydrophobicContact CH2-CG1 3.95Å; W39-I62 HydrophobicContact CZ3-CD1 3.87Å; W39-I62 HydrophobicContact CZ3-CG1 3.33Å; W39-C73 HydrophobicContact CH2-CB 3.91Å; W39-C73 HydrophobicContact CZ2-CB 3.7Å; W39-G75 VanDerWaalsContact CH2-O 3.26Å; W39-G75 WeakPolarHBondContact CH2-O 3.46Å; W39-I77 HydrophobicContact CZ3-CD1 3.93Å
40	S	96	Very high	90.9	Very high	32 Å²	32	79.3 Å²	79.3	22%	0.224	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-69.1	166.2	165.1	80.8	0	0	0	0	110.3	G61 E63	S40-G61 PolarHBondContact N-O 3.08Å; S40-G61 PolarHBondContact OG-N 3.2Å; S40-E63 WeakPolarHBondContact CA-OE1 3.3Å
41	Q	96.3	Very high	90.3	Very high	177 Å²	177	75.7 Å²	75.7	83%	0.827	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-58.7	147	165.3	-65.4	-176.2	-7.2	0	0	110.3
42	W	96.2	Very high	89.4	Confident	86 Å²	86	70.8 Å²	70.8	33%	0.326	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-65	142	170	-71.8	101.1	0	0	0	110	R58 R60 I77 H79	W42-R58 HydrophobicContact CD2-CG 4.46Å; W42-R58 HydrophobicContact CE3-CG 3.77Å; W42-R58 HydrophobicContact CZ3-CG 4.23Å; W42-R60 HydrophobicContact CD2-CB 4.02Å; W42-R60 HydrophobicContact CD2-CG 4.15Å; W42-R60 HydrophobicContact CE3-CB 3.79Å; W42-R60 HydrophobicContact CE3-CG 3.87Å; W42-R60 HydrophobicContact CH2-CG 3.82Å; W42-R60 VanDerWaalsContact CZ2-CD 3.44Å; W42-R60 HydrophobicContact CZ2-CG 4.11Å; W42-R60 VanDerWaalsContact CZ2-CZ 3.47Å; W42-R60 VanDerWaalsContact CZ2-NE 3.27Å; W42-R60 HydrophobicContact CZ3-CB 4.12Å; W42-R60 HydrophobicContact CZ3-CG 3.69Å; W42-I77 WeakPolarHBondContact CZ3-O 3.43Å; W42-H79 HydrophobicContact CH2-CB 3.82Å; W42-H79 HydrophobicContact CZ3-CB 3.74Å
43	S	94.9	Very high	88.3	Confident	50 Å²	50	75.9 Å²	75.9	35%	0.35	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-60.3	161.4	166.6	73.6	0	0	0	0	110.5	R58 S59	S43-R58 WeakPolarHBondContact OG-CA 3.4Å; S43-S59 WeakPolarHBondContact CB-O 3.37Å; S43-S59 PolarHBondContact N-O 3.34Å; S43-S59 PolarHBondContact OG-N 3.24Å; S43-S59 PolarHBondContact OG-O 3Å
44	Q	93.9	Very high	87.2	Confident	181 Å²	181	75 Å²	75	85%	0.846	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-58.7	150	163.6	-67.1	-175.3	-13.4	0	0	109.6
45	W	92.1	Very high	86.5	Confident	78 Å²	78	76.7 Å²	76.7	30%	0.295	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-63.2	136.9	172.3	-74.7	110	0	0	0	110	K56 L57 R58 H79 E81	W45-K56 HydrophobicContact CD2-CD 4Å; W45-K56 HydrophobicContact CD2-CG 4.23Å; W45-K56 HydrophobicContact CE3-CB 3.98Å; W45-K56 HydrophobicContact CE3-CD 3.96Å; W45-K56 HydrophobicContact CE3-CG 3.66Å; W45-K56 HydrophobicContact CG-CD 4.29Å; W45-K56 HydrophobicContact CZ3-CB 4.45Å; W45-K56 HydrophobicContact CZ3-CD 4.4Å; W45-K56 HydrophobicContact CZ3-CG 3.85Å; W45-K56 VanDerWaalsContact CZ3-O 3.32Å; W45-K56 WeakPolarHBondContact CZ3-O 3.29Å; W45-L57 CarbonylContact C-O 3.56Å; W45-L57 WeakPolarHBondContact CA-O 2.94Å; W45-L57 VanDerWaalsContact CE3-C 3.4Å; W45-R58 HydrophobicContact CD2-CB 4.05Å; W45-R58 HydrophobicContact CD2-CG 3.98Å; W45-R58 VanDerWaalsContact CE2-CD 3.48Å; W45-R58 HydrophobicContact CE3-CB 3.78Å; W45-R58 HydrophobicContact CE3-CG 3.76Å; W45-R58 HydrophobicContact CH2-CG 3.87Å; W45-R58 HydrophobicContact CZ2-CG 4.05Å; W45-R58 HydrophobicContact CZ3-CB 4.15Å; W45-R58 HydrophobicContact CZ3-CG 3.68Å; W45-H79 AromaticContact CH2-CE1 3.54Å; W45-H79 AromaticContact CH2-CG 3.93Å; W45-H79 AromaticContact CH2-ND1 3.06Å; W45-H79 WeakPolarHBondContact CH2-ND1 3.36Å; W45-H79 AromaticContact CZ2-CE1 3.81Å; W45-H79 AromaticContact CZ2-ND1 3.43Å; W45-H79 WeakPolarHBondContact CZ2-ND1 3.5Å; W45-E81 HydrophobicContact CH2-CB 3.59Å; W45-E81 WeakPolarHBondContact CH2-OE2 3.4Å; W45-E81 HydrophobicContact CZ2-CB 4.32Å; W45-E81 WeakPolarHBondContact CZ2-OE2 3.47Å; W45-E81 HydrophobicContact CZ3-CB 4.07Å
46	T	89.6	Confident	86	Confident	57 Å²	57	77.3 Å²	77.3	35%	0.35	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-65.1	161.3	167.1	65.1	0	0	0	0	110.3	L57	T46-L57 HydrophobicContact CG2-CB 4.16Å; T46-L57 WeakPolarHBondContact CG2-O 3.48Å; T46-L57 PolarHBondContact N-O 2.96Å; T46-L57 PolarHBondContact OG1-N 3.06Å; T46-L57 PolarHBondContact OG1-O 3.41Å
47	S	86.2	Confident	85.8	Confident	104 Å²	104	73.2 Å²	73.2	73%	0.727	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-57	153.4	164.6	48.6	0	0	0	0	110.6	D49	S47-D49 PolarHBondContact O-N 3.07Å
48	C	84.6	Confident	85.6	Confident	25 Å²	25	75 Å²	75	17%	0.169	36%	0.36	C	S	.	.			trans	-69	110.7	175.1	-170.9	0	0	0	0	109.1	P50 C83 T85	C48-P50 WeakPolarHBondContact O-CD 3.31Å; C48-C83 WeakPolarHBondContact CA-SG 3.39Å; C48-C83 HydrophobicContact CB-CB 3.7Å; C48-C83 WeakPolarHBondContact CB-SG 3.23Å; C48-C83 VanDerWaalsContact SG-C 3.51Å; C48-C83 WeakPolarHBondContact SG-CB 3.27Å; C48-C83 CovalentContact SG-SG 2.01Å; C48-C83 PolarHBondContact SG-SG 3.42Å; C48-T85 HydrophobicContact CB-CG2 4.49Å
49	D	76.8	Confident	85.5	Confident	41 Å²	41	70.2 Å²	70.2	22%	0.219	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-82.6	117.3	-178.3	174.6	-0.8	0	0	0	109.8	S47 C51 T52 R54 R55	S47-D49 PolarHBondContact O-N 3.07Å; D49-C51 PolarHBondContact O-N 3.17Å; D49-C51 WeakPolarHBondContact OD1-CA 3.13Å; D49-C51 VanDerWaalsContact OD1-CB 3.29Å; D49-C51 WeakPolarHBondContact OD1-CB 3.01Å; D49-C51 PolarHBondContact OD1-N 3.4Å; D49-T52 WeakPolarHBondContact CB-OG1 3.42Å; D49-T52 PolarHBondContact O-N 2.87Å; D49-T52 WeakPolarHBondContact OD2-CB 3.36Å; D49-T52 WeakPolarHBondContact OD2-CG2 3.24Å; D49-T52 PolarHBondContact OD2-OG1 3.15Å; D49-R54 WeakPolarHBondContact O-CA 3.48Å; D49-R55 PolarHBondContact N-O 3.32Å
50	P	74.5	Confident	85.5	Confident	31 Å²	31	69.4 Å²	69.4	20%	0.201	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.5	-178.7	29.1	-35.8	0	0	0	112.6	C48 T85 E87 C89	C48-P50 WeakPolarHBondContact O-CD 3.31Å; P50-T85 HydrophobicContact CB-CG2 3.71Å; P50-E87 HydrophobicContact CB-CB 4.45Å; P50-E87 WeakPolarHBondContact CB-O 3.49Å; P50-E87 HydrophobicContact CG-CB 4.27Å; P50-C89 HydrophobicContact CB-CB 4.26Å
51	C	71	Confident	85.4	Confident	33 Å²	33	68.3 Å²	68.3	22%	0.223	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-22.4	-176.4	-67.3	0	0	0	0	113.9	D49 K53 C89 R91	D49-C51 PolarHBondContact O-N 3.17Å; D49-C51 WeakPolarHBondContact OD1-CA 3.13Å; D49-C51 VanDerWaalsContact OD1-CB 3.29Å; D49-C51 WeakPolarHBondContact OD1-CB 3.01Å; D49-C51 PolarHBondContact OD1-N 3.4Å; C51-K53 PolarHBondContact O-N 3.39Å; C51-C89 WeakPolarHBondContact CA-SG 3.47Å; C51-C89 HydrophobicContact CB-CB 3.98Å; C51-C89 WeakPolarHBondContact CB-SG 3.42Å; C51-C89 WeakPolarHBondContact SG-CA 3.41Å; C51-C89 WeakPolarHBondContact SG-CB 3.07Å; C51-C89 CovalentContact SG-SG 2.03Å; C51-C89 PolarHBondContact SG-SG 3.04Å; C51-R91 PolarHBondContact O-NH2 3.33Å
52	T	67	Low	85.4	Confident	18 Å²	18	60.1 Å²	60.1	11%	0.11	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	62.4	-175.5	51.4	0	0	0	0	111.9	D49 R54 R55 S309	D49-T52 WeakPolarHBondContact CB-OG1 3.42Å; D49-T52 PolarHBondContact O-N 2.87Å; D49-T52 WeakPolarHBondContact OD2-CB 3.36Å; D49-T52 WeakPolarHBondContact OD2-CG2 3.24Å; D49-T52 PolarHBondContact OD2-OG1 3.15Å; T52-R54 PolarHBondContact O-N 3.41Å; T52-R54 VanDerWaalsContact O-N 3.08Å; T52-R55 PolarHBondContact O-N 3.04Å; T52-S309 WeakPolarHBondContact CG2-O 3.33Å
53	K	65.9	Low	85.4	Confident	135 Å²	135	60.6 Å²	60.6	59%	0.587	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	27.5	179.9	-59.9	-175.8	177.7	179.4	0	113.5	C51	C51-K53 PolarHBondContact O-N 3.39Å
54	R	67.4	Low	85.4	Confident	128 Å²	128	59.2 Å²	59.2	48%	0.483	29%	0.292	S	S	.	.	S	Bend	trans	52.6	60.2	-177.8	-53.9	-178.7	177.3	164.4	-0.8	112.4	D49 T52 F82 C83 T85	D49-R54 WeakPolarHBondContact O-CA 3.48Å; T52-R54 PolarHBondContact O-N 3.41Å; T52-R54 VanDerWaalsContact O-N 3.08Å; R54-F82 HydrophobicContact CB-CE2 4.03Å; R54-F82 HydrophobicContact CB-CZ 4.48Å; R54-F82 WeakPolarHBondContact O-CD2 3.26Å; R54-C83 VanDerWaalsContact CB-O 3.26Å; R54-C83 WeakPolarHBondContact CB-O 3.07Å; R54-C83 PolarHBondContact O-N 3.39Å; R54-C83 PolarHBondContact O-SG 3.02Å; R54-C83 VanDerWaalsContact O-SG 3.32Å; R54-T85 HydrophobicContact CG-CG2 4.34Å
55	R	79.9	Confident	85.5	Confident	95 Å²	95	50.7 Å²	50.7	36%	0.358	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.6	178.7	-65	180	177.2	179.8	-4.5	110.4	D49 T52 E81 C83	D49-R55 PolarHBondContact N-O 3.32Å; T52-R55 PolarHBondContact O-N 3.04Å; R55-E81 CarbonylContact C-O 3.57Å; R55-E81 VanDerWaalsContact CA-O 3.25Å; R55-E81 WeakPolarHBondContact CA-O 3.28Å; R55-C83 VanDerWaalsContact CA-SG 3.6Å
56	K	86.9	Confident	85.7	Confident	49 Å²	49	47 Å²	47	21%	0.213	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	145.8	164.1	57.9	179.2	-177.2	-179.4	0	107.9	W45 E81 C83	W45-K56 HydrophobicContact CD2-CD 4Å; W45-K56 HydrophobicContact CD2-CG 4.23Å; W45-K56 HydrophobicContact CE3-CB 3.98Å; W45-K56 HydrophobicContact CE3-CD 3.96Å; W45-K56 HydrophobicContact CE3-CG 3.66Å; W45-K56 HydrophobicContact CG-CD 4.29Å; W45-K56 HydrophobicContact CZ3-CB 4.45Å; W45-K56 HydrophobicContact CZ3-CD 4.4Å; W45-K56 HydrophobicContact CZ3-CG 3.85Å; W45-K56 VanDerWaalsContact CZ3-O 3.32Å; W45-K56 WeakPolarHBondContact CZ3-O 3.29Å; K56-E81 WeakPolarHBondContact CE-OE2 3.42Å; K56-E81 HydrophobicContact CG-CB 4.14Å; K56-E81 PolarHBondContact N-O 3Å; K56-E81 VanDerWaalsContact NZ-CD 3.26Å; K56-E81 IonicContact NZ-OE1 3.31Å; K56-E81 PolarHBondContact NZ-OE1 3.39Å; K56-E81 IonicContact NZ-OE2 2.92Å; K56-E81 PolarHBondContact NZ-OE2 3.08Å; K56-E81 PolarHBondContact O-N 3.09Å; K56-C83 HydrophobicContact CB-CB 4.38Å; K56-C83 HydrophobicContact CD-CB 4.3Å; K56-C83 HydrophobicContact CG-CB 4.14Å; K56-C83 PolarHBondContact N-SG 3.29Å
57	L	91.5	Very high	86	Confident	9 Å²	9	44.3 Å²	44.3	5%	0.047	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	146.2	-173	-54.4	173.8	0	0	0	109.3	W45 T46 R80 P311 D315 I318	W45-L57 CarbonylContact C-O 3.56Å; W45-L57 WeakPolarHBondContact CA-O 2.94Å; W45-L57 VanDerWaalsContact CE3-C 3.4Å; T46-L57 HydrophobicContact CG2-CB 4.16Å; T46-L57 WeakPolarHBondContact CG2-O 3.48Å; T46-L57 PolarHBondContact N-O 2.96Å; T46-L57 PolarHBondContact OG1-N 3.06Å; T46-L57 PolarHBondContact OG1-O 3.41Å; L57-R80 HydrophobicContact CD2-CB 3.95Å; L57-R80 HydrophobicContact CD2-CG 3.63Å; L57-P311 HydrophobicContact CD1-CG 3.89Å; L57-D315 HydrophobicContact CB-CB 4.34Å; L57-D315 HydrophobicContact CD1-CB 4.04Å; L57-I318 HydrophobicContact CD1-CB 4.37Å; L57-I318 HydrophobicContact CD1-CG2 3.98Å
58	R	93.4	Very high	86.4	Confident	63 Å²	63	40.3 Å²	40.3	24%	0.238	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	154.7	163.4	65.7	177.3	-176.2	-168.1	-3.7	108.7	W42 S43 W45 H79	W42-R58 HydrophobicContact CD2-CG 4.46Å; W42-R58 HydrophobicContact CE3-CG 3.77Å; W42-R58 HydrophobicContact CZ3-CG 4.23Å; S43-R58 WeakPolarHBondContact OG-CA 3.4Å; W45-R58 HydrophobicContact CD2-CB 4.05Å; W45-R58 HydrophobicContact CD2-CG 3.98Å; W45-R58 VanDerWaalsContact CE2-CD 3.48Å; W45-R58 HydrophobicContact CE3-CB 3.78Å; W45-R58 HydrophobicContact CE3-CG 3.76Å; W45-R58 HydrophobicContact CH2-CG 3.87Å; W45-R58 HydrophobicContact CZ2-CG 4.05Å; W45-R58 HydrophobicContact CZ3-CB 4.15Å; W45-R58 HydrophobicContact CZ3-CG 3.68Å; R58-H79 HydrophobicContact CG-CB 3.89Å; R58-H79 PolarHBondContact N-O 2.89Å; R58-H79 PolarHBondContact NE-ND1 3.28Å; R58-H79 PolarHBondContact NH2-ND1 2.9Å; R58-H79 PolarHBondContact O-N 2.73Å
59	S	95.4	Very high	86.7	Confident	19 Å²	19	41.7 Å²	41.7	13%	0.133	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	160.3	-179.9	45.4	0	0	0	0	111.4	S43 I77 D315	S43-S59 WeakPolarHBondContact CB-O 3.37Å; S43-S59 PolarHBondContact N-O 3.34Å; S43-S59 PolarHBondContact OG-N 3.24Å; S43-S59 PolarHBondContact OG-O 3Å; S59-I77 CarbonylContact C-O 3.54Å; S59-I77 VanDerWaalsContact CA-O 3.3Å; S59-I77 WeakPolarHBondContact CA-O 3.29Å; S59-D315 PolarHBondContact OG-OD2 2.88Å
60	R	95.4	Very high	87.5	Confident	46 Å²	46	39.9 Å²	39.9	17%	0.174	20%	0.2	C	C	.	.			trans	-133	-178.3	173.7	62.2	177.3	174	178.3	1.7	110.5	W39 W42 A76 I77 K316	W39-R60 HydrophobicContact CE3-CG 4.13Å; W42-R60 HydrophobicContact CD2-CB 4.02Å; W42-R60 HydrophobicContact CD2-CG 4.15Å; W42-R60 HydrophobicContact CE3-CB 3.79Å; W42-R60 HydrophobicContact CE3-CG 3.87Å; W42-R60 HydrophobicContact CH2-CG 3.82Å; W42-R60 VanDerWaalsContact CZ2-CD 3.44Å; W42-R60 HydrophobicContact CZ2-CG 4.11Å; W42-R60 VanDerWaalsContact CZ2-CZ 3.47Å; W42-R60 VanDerWaalsContact CZ2-NE 3.27Å; W42-R60 HydrophobicContact CZ3-CB 4.12Å; W42-R60 HydrophobicContact CZ3-CG 3.69Å; R60-A76 PolarHBondContact NE-O 3.36Å; R60-A76 PolarHBondContact NH2-O 3.26Å; R60-I77 PolarHBondContact N-O 2.86Å; R60-I77 WeakPolarHBondContact O-CG2 3.28Å; R60-K316 PolarHBondContact O-NZ 3.37Å
61	G	95.2	Very high	88.5	Confident	9 Å²	9	44.9 Å²	44.9	9%	0.093	22%	0.221	C	C	.	.			trans	-129.6	173.6	170.6	0	0	0	0	0	111.3	W39 S40 E491	W39-G61 CarbonylContact C-O 3.5Å; W39-G61 WeakPolarHBondContact CA-O 3.36Å; S40-G61 PolarHBondContact N-O 3.08Å; S40-G61 PolarHBondContact OG-N 3.2Å; G61-E491 WeakPolarHBondContact CA-OE1 3.32Å
62	I	96.1	Very high	89.7	Confident	6 Å²	6	45.1 Å²	45.1	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	120.8	173.5	-59.8	169	0	0	0	105.8	W39 A64 F65 C73 I77 E491 Y492 K496	W39-I62 HydrophobicContact CE3-CG1 3.7Å; W39-I62 HydrophobicContact CH2-CD1 4.08Å; W39-I62 HydrophobicContact CH2-CG1 3.95Å; W39-I62 HydrophobicContact CZ3-CD1 3.87Å; W39-I62 HydrophobicContact CZ3-CG1 3.33Å; I62-A64 WeakPolarHBondContact CG2-O 3.39Å; I62-F65 HydrophobicContact CB-CE1 4.24Å; I62-F65 HydrophobicContact CB-CZ 4.42Å; I62-F65 HydrophobicContact CD1-CD1 4.35Å; I62-F65 HydrophobicContact CD1-CE1 3.5Å; I62-F65 VanDerWaalsContact CD1-CE1 3.5Å; I62-F65 HydrophobicContact CD1-CZ 4.09Å; I62-F65 HydrophobicContact CG1-CE1 4.4Å; I62-F65 HydrophobicContact CG2-CD1 3.69Å; I62-F65 HydrophobicContact CG2-CE1 3.62Å; I62-F65 HydrophobicContact CG2-CE2 4.49Å; I62-F65 HydrophobicContact CG2-CG 4.2Å; I62-F65 HydrophobicContact CG2-CZ 4.01Å; I62-C73 HydrophobicContact CD1-CB 4.02Å; I62-C73 HydrophobicContact CG1-CB 4.47Å; I62-C73 VanDerWaalsContact CG2-SG 3.58Å; I62-I77 HydrophobicContact CD1-CD1 4.14Å; I62-I77 HydrophobicContact CG1-CD1 4.01Å; I62-E491 WeakPolarHBondContact CA-OE1 3.15Å; I62-E491 VanDerWaalsContact CB-OE1 3.25Å; I62-E491 WeakPolarHBondContact CB-OE1 3.34Å; I62-E491 WeakPolarHBondContact CG1-OE1 3.35Å; I62-E491 PolarHBondContact N-OE1 3.45Å; I62-Y492 HydrophobicContact CD1-CE1 4.07Å; I62-K496 VanDerWaalsContact O-CD 3.27Å; I62-K496 WeakPolarHBondContact O-CD 3.3Å; I62-K496 WeakPolarHBondContact O-CE 3.4Å; I62-K496 PolarHBondContact O-NZ 3.09Å
63	E	94.9	Very high	91	Very high	95 Å²	95	44.6 Å²	44.6	44%	0.444	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-36.2	176.6	-64.5	-175.4	175.4	0	0	111.2	K38 S40	K38-E63 HydrophobicContact CB-CB 4.34Å; K38-E63 HydrophobicContact CD-CB 4.24Å; K38-E63 WeakPolarHBondContact CD-OE2 3.37Å; K38-E63 WeakPolarHBondContact CE-OE2 3.46Å; K38-E63 HydrophobicContact CG-CB 4.31Å; K38-E63 IonicContact NZ-OE2 2.84Å; K38-E63 PolarHBondContact NZ-OE2 2.98Å; K38-E63 PolarHBondContact O-N 2.84Å; S40-E63 WeakPolarHBondContact CA-OE1 3.3Å
64	A	95.3	Very high	92.2	Very high	22 Å²	22	43.7 Å²	43.7	18%	0.182	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	142.5	175.7	0	0	0	0	0	110	V35 C37 K38 I62	V35-A64 HydrophobicContact CG1-CB 4.44Å; C37-A64 WeakPolarHBondContact CA-O 3.49Å; K38-A64 HydrophobicContact CB-CB 3.96Å; K38-A64 PolarHBondContact N-O 3.26Å; K38-A64 PolarHBondContact O-N 3.34Å; I62-A64 WeakPolarHBondContact CG2-O 3.39Å
65	F	97.1	Very high	93.2	Very high	1 Å²	1	38.8 Å²	38.8	0%	0.004	21%	0.214	C	C	.	.			trans	-91.5	156.6	175.2	-72.1	-64.5	0	0	0	111.5	I62 Q67 C73 E491 Y492 N493 K496 L508 G511 C513	I62-F65 HydrophobicContact CB-CE1 4.24Å; I62-F65 HydrophobicContact CB-CZ 4.42Å; I62-F65 HydrophobicContact CD1-CD1 4.35Å; I62-F65 HydrophobicContact CD1-CE1 3.5Å; I62-F65 VanDerWaalsContact CD1-CE1 3.5Å; I62-F65 HydrophobicContact CD1-CZ 4.09Å; I62-F65 HydrophobicContact CG1-CE1 4.4Å; I62-F65 HydrophobicContact CG2-CD1 3.69Å; I62-F65 HydrophobicContact CG2-CE1 3.62Å; I62-F65 HydrophobicContact CG2-CE2 4.49Å; I62-F65 HydrophobicContact CG2-CG 4.2Å; I62-F65 HydrophobicContact CG2-CZ 4.01Å; F65-Q67 PolarHBondContact O-N 3.47Å; F65-C73 HydrophobicContact CD1-CB 4.2Å; F65-E491 WeakPolarHBondContact CZ-O 3.32Å; F65-Y492 HydrophobicContact CE1-CD1 4.48Å; F65-Y492 HydrophobicContact CZ-CD1 4.38Å; F65-N493 WeakPolarHBondContact CE2-O 3.39Å; F65-K496 HydrophobicContact CD2-CB 3.61Å; F65-K496 HydrophobicContact CD2-CD 4.39Å; F65-K496 HydrophobicContact CE2-CB 3.69Å; F65-K496 HydrophobicContact CE2-CD 3.72Å; F65-K496 HydrophobicContact CE2-CG 4.17Å; F65-K496 HydrophobicContact CZ-CD 4.21Å; F65-L508 HydrophobicContact CB-CD1 4.07Å; F65-L508 HydrophobicContact CD1-CD1 3.72Å; F65-L508 HydrophobicContact CD2-CD1 3.51Å; F65-L508 HydrophobicContact CD2-CD2 3.88Å; F65-L508 HydrophobicContact CD2-CG 4.32Å; F65-L508 HydrophobicContact CE1-CD1 3.95Å; F65-L508 HydrophobicContact CE1-CD2 4.23Å; F65-L508 HydrophobicContact CE2-CD1 3.81Å; F65-L508 HydrophobicContact CE2-CD2 3.32Å; F65-L508 HydrophobicContact CE2-CG 4.21Å; F65-L508 HydrophobicContact CG-CD1 3.5Å; F65-L508 VanDerWaalsContact CG-CD1 3.5Å; F65-L508 HydrophobicContact CZ-CD1 4.03Å; F65-L508 HydrophobicContact CZ-CD2 3.55Å; F65-L508 HydrophobicContact CZ-CG 4.42Å; F65-G511 VanDerWaalsContact CD1-CA 3.46Å; F65-G511 WeakPolarHBondContact CD1-O 3Å; F65-C513 WeakPolarHBondContact CB-SG 3.49Å
66	G	96.6	Very high	93.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-60.1	128.2	173.3	0	0	0	0	0	111.6	V35 E71 G511 K512 C513	V35-G66 CarbonylContact O-C 3.58Å; V35-G66 WeakPolarHBondContact O-CA 3.45Å; G66-E71 WeakPolarHBondContact CA-O 3.38Å; G66-G511 PolarHBondContact N-O 3.32Å; G66-K512 CarbonylContact O-C 3.56Å; G66-K512 WeakPolarHBondContact O-CA 3.32Å; G66-C513 PolarHBondContact O-N 3.44Å
67	Q	95.6	Very high	94.2	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-149.3	157.4	-179.3	-164.7	167.8	1.8	0	0	111.6	V35 F65 G69 G70 K498 C513	V35-Q67 HydrophobicContact CB-CB 4.16Å; V35-Q67 PolarHBondContact N-O 2.91Å; V35-Q67 PolarHBondContact O-N 3.19Å; F65-Q67 PolarHBondContact O-N 3.47Å; Q67-G69 VanDerWaalsContact C-N 3.28Å; Q67-G69 PolarHBondContact O-N 3.35Å; Q67-G70 PolarHBondContact O-N 3.17Å; Q67-K498 PolarHBondContact NE2-O 3.17Å; Q67-K498 PolarHBondContact OE1-O 2.85Å; Q67-C513 HydrophobicContact CB-CB 3.92Å; Q67-C513 HydrophobicContact CG-CB 3.71Å
68	F	93.4	Very high	94.4	Very high	21 Å²	21	33.2 Å²	33.2	9%	0.092	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	42.9	176.8	-49.9	-47.1	0	0	0	113.7	P32 A34 V35 K498 L524	P32-F68 HydrophobicContact CB-CB 4.25Å; P32-F68 HydrophobicContact CB-CD1 4.3Å; P32-F68 HydrophobicContact CB-CD2 3.69Å; P32-F68 HydrophobicContact CB-CE2 4.04Å; P32-F68 HydrophobicContact CB-CG 3.82Å; P32-F68 HydrophobicContact CB-CZ 4.5Å; P32-F68 HydrophobicContact CG-CD1 4.26Å; P32-F68 HydrophobicContact CG-CD2 4.46Å; P32-F68 HydrophobicContact CG-CE1 4.44Å; P32-F68 HydrophobicContact CG-CG 4.28Å; A34-F68 WeakPolarHBondContact CA-O 3.19Å; V35-F68 HydrophobicContact CG2-CD2 4.42Å; F68-K498 HydrophobicContact CE2-CB 3.87Å; F68-K498 HydrophobicContact CE2-CG 4.47Å; F68-K498 HydrophobicContact CZ-CB 4.26Å; F68-L524 HydrophobicContact CD1-CB 4.34Å; F68-L524 WeakPolarHBondContact CD1-O 3.05Å
69	G	90.6	Very high	94.3	Very high	54 Å²	54	33.5 Å²	33.5	56%	0.557	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.3	-5.8	-179.6	0	0	0	0	0	114.9	Q67	Q67-G69 VanDerWaalsContact C-N 3.28Å; Q67-G69 PolarHBondContact O-N 3.35Å
70	G	95.1	Very high	94	Very high	3 Å²	3	34.2 Å²	34.2	3%	0.031	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-72.3	165.2	174.2	0	0	0	0	0	114.4	V35 D36 Q67	V35-G70 WeakPolarHBondContact O-CA 3.37Å; D36-G70 WeakPolarHBondContact OD1-CA 3.33Å; Q67-G70 PolarHBondContact O-N 3.17Å
71	E	95.7	Very high	93.7	Very high	136 Å²	136	36 Å²	36	64%	0.636	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-69.9	132.8	-174	-72.8	-62.3	146.5	0	0	112.6	D36 C37 G66	D36-E71 PolarHBondContact OD1-N 2.93Å; C37-E71 VanDerWaalsContact CB-O 3.3Å; C37-E71 WeakPolarHBondContact CB-O 3.31Å; C37-E71 PolarHBondContact N-O 3.21Å; G66-E71 WeakPolarHBondContact CA-O 3.38Å
72	P	95.5	Very high	93.2	Very high	37 Å²	37	41.4 Å²	41.4	24%	0.24	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-75.3	156.8	-179.3	31.8	-35.3	0	0	0	113.4	T74 K512	P72-T74 HydrophobicContact CB-CG2 4.37Å; P72-T74 HydrophobicContact CG-CG2 3.99Å; P72-T74 PolarHBondContact O-N 2.91Å; P72-K512 HydrophobicContact CB-CB 3.99Å; P72-K512 HydrophobicContact CB-CD 4.39Å; P72-K512 HydrophobicContact CB-CG 4.39Å
73	C	94.9	Very high	92.7	Very high	7 Å²	7	41.9 Å²	41.9	5%	0.047	24%	0.239	C	C	.	.			trans	-81.8	91.3	173.7	-60.2	0	0	0	0	111.7	C37 W39 I62 F65 G511	C37-C73 HydrophobicContact CB-CB 4.02Å; C37-C73 WeakPolarHBondContact CB-SG 3.44Å; C37-C73 WeakPolarHBondContact SG-CA 3.33Å; C37-C73 WeakPolarHBondContact SG-CB 3.5Å; C37-C73 CovalentContact SG-SG 2.02Å; C37-C73 PolarHBondContact SG-SG 2.05Å; W39-C73 HydrophobicContact CH2-CB 3.91Å; W39-C73 HydrophobicContact CZ2-CB 3.7Å; I62-C73 HydrophobicContact CD1-CB 4.02Å; I62-C73 HydrophobicContact CG1-CB 4.47Å; I62-C73 VanDerWaalsContact CG2-SG 3.58Å; F65-C73 HydrophobicContact CD1-CB 4.2Å; C73-G511 PolarHBondContact N-O 3.39Å
74	T	89.8	Confident	92.2	Very high	116 Å²	116	45.4 Å²	45.4	71%	0.712	26%	0.255	S	S	*	.			trans	-99	-12.2	-177	54.2	0	0	0	0	115.1	P72	P72-T74 HydrophobicContact CB-CG2 4.37Å; P72-T74 HydrophobicContact CG-CG2 3.99Å; P72-T74 PolarHBondContact O-N 2.91Å
75	G	89.6	Confident	91.5	Very high	25 Å²	25	45.7 Å²	45.7	26%	0.258	26%	0.255	S	S	.	.	S	Bend	trans	-81	166.4	-176.2	0	0	0	0	0	115	W39	W39-G75 VanDerWaalsContact CH2-O 3.26Å; W39-G75 WeakPolarHBondContact CH2-O 3.46Å
76	A	93.1	Very high	90.4	Very high	28 Å²	28	52.6 Å²	52.6	23%	0.231	30%	0.297	C	S	.	.			trans	-67.8	149	174.4	0	0	0	0	0	112.7	R60 G78 S243	R60-A76 PolarHBondContact NE-O 3.36Å; R60-A76 PolarHBondContact NH2-O 3.26Å; A76-G78 VanDerWaalsContact CB-O 3.32Å; A76-G78 WeakPolarHBondContact CB-O 3.43Å; A76-S243 WeakPolarHBondContact CB-O 2.93Å
77	I	95.1	Very high	89.5	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.327	C	S	.	.	S	Bend	trans	-80.2	-39.6	167.8	-69.2	-70.4	0	0	0	109.8	W39 W42 S59 R60 I62 E244 K316 F320 E491 Y492	W39-I77 HydrophobicContact CZ3-CD1 3.93Å; W42-I77 WeakPolarHBondContact CZ3-O 3.43Å; S59-I77 CarbonylContact C-O 3.54Å; S59-I77 VanDerWaalsContact CA-O 3.3Å; S59-I77 WeakPolarHBondContact CA-O 3.29Å; R60-I77 PolarHBondContact N-O 2.86Å; R60-I77 WeakPolarHBondContact O-CG2 3.28Å; I62-I77 HydrophobicContact CD1-CD1 4.14Å; I62-I77 HydrophobicContact CG1-CD1 4.01Å; I77-E244 WeakPolarHBondContact CA-OE1 3.49Å; I77-E244 VanDerWaalsContact CB-OE1 3.3Å; I77-E244 WeakPolarHBondContact CB-OE1 3.46Å; I77-E244 PolarHBondContact N-OE1 2.95Å; I77-K316 HydrophobicContact CG2-CD 3.83Å; I77-K316 HydrophobicContact CG2-CG 4.08Å; I77-F320 HydrophobicContact CB-CD2 4.23Å; I77-F320 HydrophobicContact CG1-CD2 4.27Å; I77-F320 HydrophobicContact CG1-CE2 4.45Å; I77-F320 HydrophobicContact CG2-CD2 3.96Å; I77-F320 HydrophobicContact CG2-CE2 4.17Å; I77-E491 HydrophobicContact CD1-CG 3.89Å; I77-E491 HydrophobicContact CG1-CG 4.46Å; I77-Y492 WeakPolarHBondContact CG1-OH 3.45Å
78	G	93.6	Very high	88.4	Confident	9 Å²	9	66.5 Å²	66.5	9%	0.093	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	146.1	177.3	0	0	0	0	0	113.7	A76 E244	A76-G78 VanDerWaalsContact CB-O 3.32Å; A76-G78 WeakPolarHBondContact CB-O 3.43Å; G78-E244 WeakPolarHBondContact CA-OE2 2.71Å; G78-E244 PolarHBondContact N-OE1 3.31Å; G78-E244 PolarHBondContact N-OE2 2.82Å
79	H	92.1	Very high	87.5	Confident	69 Å²	69	67.6 Å²	67.6	32%	0.319	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.9	165.8	-175.1	-133.5	0	0	0	109.6	W42 W45 R58	W42-H79 HydrophobicContact CH2-CB 3.82Å; W42-H79 HydrophobicContact CZ3-CB 3.74Å; W45-H79 AromaticContact CH2-CE1 3.54Å; W45-H79 AromaticContact CH2-CG 3.93Å; W45-H79 AromaticContact CH2-ND1 3.06Å; W45-H79 WeakPolarHBondContact CH2-ND1 3.36Å; W45-H79 AromaticContact CZ2-CE1 3.81Å; W45-H79 AromaticContact CZ2-ND1 3.43Å; W45-H79 WeakPolarHBondContact CZ2-ND1 3.5Å; R58-H79 HydrophobicContact CG-CB 3.89Å; R58-H79 PolarHBondContact N-O 2.89Å; R58-H79 PolarHBondContact NE-ND1 3.28Å; R58-H79 PolarHBondContact NH2-ND1 2.9Å; R58-H79 PolarHBondContact O-N 2.73Å
80	R	89.3	Confident	86.3	Confident	34 Å²	34	70.4 Å²	70.4	13%	0.128	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.4	-178.4	-43.6	-175.6	-168.5	144.4	5.2	108.1	L57 S245 I318	L57-R80 HydrophobicContact CD2-CB 3.95Å; L57-R80 HydrophobicContact CD2-CG 3.63Å; R80-S245 PolarHBondContact NH1-O 3.01Å; R80-S245 PolarHBondContact NH1-OG 3.19Å; R80-S245 VanDerWaalsContact NH1-OG 3.17Å; R80-S245 PolarHBondContact NH2-O 3.34Å; R80-I318 VanDerWaalsContact NE-CD1 3.32Å
81	E	88.5	Confident	84.9	Confident	82 Å²	82	77 Å²	77	38%	0.383	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145	178	-169	-175.3	163.6	0	0	108.9	W45 R55 K56	W45-E81 HydrophobicContact CH2-CB 3.59Å; W45-E81 WeakPolarHBondContact CH2-OE2 3.4Å; W45-E81 HydrophobicContact CZ2-CB 4.32Å; W45-E81 WeakPolarHBondContact CZ2-OE2 3.47Å; W45-E81 HydrophobicContact CZ3-CB 4.07Å; R55-E81 CarbonylContact C-O 3.57Å; R55-E81 VanDerWaalsContact CA-O 3.25Å; R55-E81 WeakPolarHBondContact CA-O 3.28Å; K56-E81 WeakPolarHBondContact CE-OE2 3.42Å; K56-E81 HydrophobicContact CG-CB 4.14Å; K56-E81 PolarHBondContact N-O 3Å; K56-E81 VanDerWaalsContact NZ-CD 3.26Å; K56-E81 IonicContact NZ-OE1 3.31Å; K56-E81 PolarHBondContact NZ-OE1 3.39Å; K56-E81 IonicContact NZ-OE2 2.92Å; K56-E81 PolarHBondContact NZ-OE2 3.08Å; K56-E81 PolarHBondContact O-N 3.09Å
82	F	86.1	Confident	83.3	Confident	123 Å²	123	74.7 Å²	74.7	54%	0.539	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	147.4	173	-174.9	-98.6	0	0	0	110.3	R54 E84	R54-F82 HydrophobicContact CB-CE2 4.03Å; R54-F82 HydrophobicContact CB-CZ 4.48Å; R54-F82 WeakPolarHBondContact O-CD2 3.26Å; F82-E84 HydrophobicContact CE1-CG 3.96Å
83	C	85.4	Confident	81.9	Confident	16 Å²	16	79 Å²	79	11%	0.108	43%	0.433	C	S	.	.			trans	-145.5	160.1	174.7	55.9	0	0	0	0	110	C48 R54 R55 K56	C48-C83 WeakPolarHBondContact CA-SG 3.39Å; C48-C83 HydrophobicContact CB-CB 3.7Å; C48-C83 WeakPolarHBondContact CB-SG 3.23Å; C48-C83 VanDerWaalsContact SG-C 3.51Å; C48-C83 WeakPolarHBondContact SG-CB 3.27Å; C48-C83 CovalentContact SG-SG 2.01Å; C48-C83 PolarHBondContact SG-SG 3.42Å; R54-C83 VanDerWaalsContact CB-O 3.26Å; R54-C83 WeakPolarHBondContact CB-O 3.07Å; R54-C83 PolarHBondContact O-N 3.39Å; R54-C83 PolarHBondContact O-SG 3.02Å; R54-C83 VanDerWaalsContact O-SG 3.32Å; R55-C83 VanDerWaalsContact CA-SG 3.6Å; K56-C83 HydrophobicContact CB-CB 4.38Å; K56-C83 HydrophobicContact CD-CB 4.3Å; K56-C83 HydrophobicContact CG-CB 4.14Å; K56-C83 PolarHBondContact N-SG 3.29Å
84	E	83.9	Confident	80.5	Confident	170 Å²	170	82.5 Å²	82.5	79%	0.794	46%	0.456	S	S	*	.			trans	-104.5	134.6	174	-65.9	-179	177.5	0	0	108.9	F82	F82-E84 HydrophobicContact CE1-CG 3.96Å
85	T	80.4	Confident	79.5	Confident	28 Å²	28	81.6 Å²	81.6	17%	0.172	45%	0.454	C	S	.	.			trans	-136.2	138.9	173.3	178.3	0	0	0	0	108.8	C48 P50 R54 E87	C48-T85 HydrophobicContact CB-CG2 4.49Å; P50-T85 HydrophobicContact CB-CG2 3.71Å; R54-T85 HydrophobicContact CG-CG2 4.34Å; T85-E87 VanDerWaalsContact C-N 3.33Å; T85-E87 PolarHBondContact OG1-N 2.96Å
86	T	74.7	Confident	79	Confident	145 Å²	145	85.4 Å²	85.4	89%	0.89	48%	0.475	S	S	*	.			trans	-84.8	-11.9	175.2	49.8	0	0	0	0	112.1
87	E	77.4	Confident	78.8	Confident	136 Å²	136	85 Å²	85	64%	0.636	47%	0.47	S	S	*	.	S	Bend	trans	-72.4	134.2	177.6	-64.5	-175.1	168.2	0	0	110.6	P50 T85	P50-E87 HydrophobicContact CB-CB 4.45Å; P50-E87 WeakPolarHBondContact CB-O 3.49Å; P50-E87 HydrophobicContact CG-CB 4.27Å; T85-E87 VanDerWaalsContact C-N 3.33Å; T85-E87 PolarHBondContact OG1-N 2.96Å
88	L	73.1	Confident	78.5	Confident	158 Å²	158	88.4 Å²	88.4	83%	0.827	49%	0.492	S	S	*	.			trans	-81.4	137.1	172.7	-71.7	168.9	0	0	0	109.3	S90	L88-S90 PolarHBondContact O-N 3.2Å; L88-S90 VanDerWaalsContact O-N 3.1Å
89	C	72.8	Confident	78.2	Confident	44 Å²	44	96.7 Å²	96.7	30%	0.297	53%	0.528	S	S	.	.			trans	-65.7	111	174.2	174.5	0	0	0	0	110.2	P50 C51 R91	P50-C89 HydrophobicContact CB-CB 4.26Å; C51-C89 WeakPolarHBondContact CA-SG 3.47Å; C51-C89 HydrophobicContact CB-CB 3.98Å; C51-C89 WeakPolarHBondContact CB-SG 3.42Å; C51-C89 WeakPolarHBondContact SG-CA 3.41Å; C51-C89 WeakPolarHBondContact SG-CB 3.07Å; C51-C89 CovalentContact SG-SG 2.03Å; C51-C89 PolarHBondContact SG-SG 3.04Å; C89-R91 PolarHBondContact O-N 3.26Å; C89-R91 VanDerWaalsContact SG-CD 3.51Å; C89-R91 WeakPolarHBondContact SG-CG 3.42Å
90	S	66.9	Low	78.1	Confident	113 Å²	113	97.3 Å²	97.3	79%	0.79	54%	0.541	S	S	*	.			trans	-81.3	58.6	172.8	50.9	0	0	0	0	111.1	L88	L88-S90 PolarHBondContact O-N 3.2Å; L88-S90 VanDerWaalsContact O-N 3.1Å
91	R	65.5	Low	78.3	Confident	142 Å²	142	98.6 Å²	98.6	54%	0.536	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-67.9	136.1	166.3	-87	162.6	-171.1	-152.2	2.5	108.3	C51 C89 T93	C51-R91 PolarHBondContact O-NH2 3.33Å; C89-R91 PolarHBondContact O-N 3.26Å; C89-R91 VanDerWaalsContact SG-CD 3.51Å; C89-R91 WeakPolarHBondContact SG-CG 3.42Å; R91-T93 PolarHBondContact O-N 3.22Å; R91-T93 VanDerWaalsContact O-N 3.14Å
92	P	62.5	Low	78.5	Confident	86 Å²	86	96.8 Å²	96.8	56%	0.558	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-54.3	126.5	168.9	-10	18.8	0	0	0	107.6	P472	P92-P472 HydrophobicContact CG-CB 4.17Å; P92-P472 HydrophobicContact CG-CG 4.24Å
93	T	64.1	Low	78.9	Confident	127 Å²	127	94 Å²	94	78%	0.779	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-55.8	127.1	168.6	42.8	0	0	0	0	107.4	R91 S95	R91-T93 PolarHBondContact O-N 3.22Å; R91-T93 VanDerWaalsContact O-N 3.14Å; T93-S95 PolarHBondContact O-N 2.96Å
94	P	65.9	Low	79.2	Confident	81 Å²	81	93.3 Å²	93.3	53%	0.526	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-56.2	121.6	175.3	8.2	-10	0	0	0	107.4	K109	P94-K109 HydrophobicContact CG-CD 4.06Å
95	S	69.9	Low	79.5	Confident	97 Å²	97	90.5 Å²	90.5	68%	0.678	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-58	141	171	49.2	0	0	0	0	107.9	T93 C97	T93-S95 PolarHBondContact O-N 2.96Å; S95-C97 PolarHBondContact O-N 3.31Å
96	P	79.6	Confident	79.8	Confident	105 Å²	105	90 Å²	90	68%	0.682	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-51	144.4	170.6	-23	32.7	0	0	0	110
97	C	87.1	Confident	80.1	Confident	20 Å²	20	90.8 Å²	90.8	14%	0.135	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-56.2	144.7	174.1	-59	0	0	0	0	109.5	S95 E101 Q103 C111	S95-C97 PolarHBondContact O-N 3.31Å; C97-E101 HydrophobicContact CB-CB 3.98Å; C97-Q103 HydrophobicContact CB-CB 4.24Å; C97-Q103 WeakPolarHBondContact SG-CB 3.5Å; C97-C111 VanDerWaalsContact CA-SG 3.55Å; C97-C111 HydrophobicContact CB-CB 3.8Å; C97-C111 WeakPolarHBondContact CB-SG 3.45Å; C97-C111 WeakPolarHBondContact SG-CA 2.95Å; C97-C111 WeakPolarHBondContact SG-CB 3.44Å; C97-C111 CovalentContact SG-SG 2.03Å; C97-C111 PolarHBondContact SG-SG 3.3Å
98	P	89.6	Confident	80.3	Confident	72 Å²	72	85.1 Å²	85.1	47%	0.468	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-51.3	155.2	173.9	-24.5	32.3	0	0	0	111.8	S100 E101	P98-S100 PolarHBondContact O-N 3.44Å; P98-E101 WeakPolarHBondContact CD-OE2 3.26Å; P98-E101 PolarHBondContact O-N 3.15Å
99	E	87	Confident	80.9	Confident	182 Å²	182	82.6 Å²	82.6	85%	0.85	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-16	178.1	-68	-174	172.9	0	0	114.1	E101 K114	E99-E101 VanDerWaalsContact C-N 3.32Å; E99-K114 VanDerWaalsContact O-CD 3.3Å; E99-K114 WeakPolarHBondContact O-CD 3.37Å; E99-K114 WeakPolarHBondContact O-CE 3.37Å; E99-K114 PolarHBondContact O-NZ 3.44Å
100	S	90.9	Very high	81.6	Confident	82 Å²	82	82 Å²	82	57%	0.573	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.9	173.7	54	0	0	0	0	114.3	P98 K114	P98-S100 PolarHBondContact O-N 3.44Å; S100-K114 PolarHBondContact O-N 3.44Å; S100-K114 VanDerWaalsContact O-N 3.15Å
101	E	93.6	Very high	82.7	Confident	62 Å²	62	79.3 Å²	79.3	29%	0.29	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	154.1	-172.4	-66.2	-175.5	173.7	0	0	111.4	C97 P98 E99 C111 I112 K114	C97-E101 HydrophobicContact CB-CB 3.98Å; P98-E101 WeakPolarHBondContact CD-OE2 3.26Å; P98-E101 PolarHBondContact O-N 3.15Å; E99-E101 VanDerWaalsContact C-N 3.32Å; E101-C111 HydrophobicContact CB-CB 4.3Å; E101-C111 WeakPolarHBondContact OE2-CB 3.18Å; E101-I112 CarbonylContact C-O 3.59Å; E101-I112 WeakPolarHBondContact CA-O 3.48Å; E101-I112 VanDerWaalsContact CB-O 3.25Å; E101-I112 WeakPolarHBondContact CB-O 3.3Å; E101-K114 WeakPolarHBondContact O-CE 3.37Å
102	F	92.6	Very high	83.9	Confident	44 Å²	44	73.2 Å²	73.2	19%	0.193	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	144.2	173.3	177.9	-91.2	0	0	0	108.4	C111 I112 K114 E117 D129	F102-C111 WeakPolarHBondContact O-CA 3.47Å; F102-I112 HydrophobicContact CB-CG1 4.02Å; F102-I112 HydrophobicContact CD1-CD1 4.18Å; F102-I112 HydrophobicContact CD1-CG1 4.07Å; F102-I112 PolarHBondContact N-O 3Å; F102-I112 PolarHBondContact O-N 2.75Å; F102-K114 HydrophobicContact CB-CG 4.45Å; F102-E117 VanDerWaalsContact CD2-CD 3.41Å; F102-E117 HydrophobicContact CD2-CG 4Å; F102-E117 HydrophobicContact CE2-CG 4.19Å; F102-E117 WeakPolarHBondContact CE2-OE1 3.32Å; F102-E117 HydrophobicContact CG-CG 4.44Å; F102-D129 HydrophobicContact CD1-CB 4.21Å; F102-D129 HydrophobicContact CE1-CB 4.02Å
103	Q	93.3	Very high	85.4	Confident	64 Å²	64	74.1 Å²	74.1	30%	0.299	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	115	-175.8	-175.4	170	-11.4	0	0	109.8	C97 K109	C97-Q103 HydrophobicContact CB-CB 4.24Å; C97-Q103 WeakPolarHBondContact SG-CB 3.5Å; Q103-K109 HydrophobicContact CG-CB 4.24Å; Q103-K109 VanDerWaalsContact NE2-CB 3.35Å; Q103-K109 VanDerWaalsContact NE2-CD 3.31Å
104	C	92.4	Very high	86.7	Confident	2 Å²	2	73 Å²	73	1%	0.014	40%	0.403	C	S	.	.			trans	-63.1	154.8	175.7	-52.8	0	0	0	0	111.3	T106 T110 C124 S128	C104-T106 VanDerWaalsContact C-N 3.29Å; C104-T106 PolarHBondContact O-N 2.85Å; C104-T110 WeakPolarHBondContact CB-OG1 3.41Å; C104-T110 PolarHBondContact N-O 3.43Å; C104-T110 PolarHBondContact SG-O 2.93Å; C104-T110 VanDerWaalsContact SG-O 3.41Å; C104-T110 PolarHBondContact SG-OG1 3.29Å; C104-T110 VanDerWaalsContact SG-OG1 3.35Å; C104-C124 VanDerWaalsContact CA-SG 3.6Å; C104-C124 HydrophobicContact CB-CB 3.74Å; C104-C124 WeakPolarHBondContact CB-SG 3.26Å; C104-C124 WeakPolarHBondContact SG-CB 3.46Å; C104-C124 CovalentContact SG-SG 2.03Å; C104-C124 PolarHBondContact SG-SG 3.49Å; C104-S128 WeakPolarHBondContact CA-OG 3.27Å
105	T	90.8	Very high	88	Confident	110 Å²	110	75.3 Å²	75.3	68%	0.675	40%	0.401	S	S	*	.	S	Bend	trans	-84.1	-0.2	-177.2	63.2	0	0	0	0	114.5	D126 S128	T105-D126 VanDerWaalsContact C-OD2 3.26Å; T105-D126 WeakPolarHBondContact CA-OD2 3.38Å; T105-D126 WeakPolarHBondContact CB-OD2 3.39Å; T105-D126 PolarHBondContact N-OD2 2.97Å; T105-D126 VanDerWaalsContact N-OD2 3.11Å; T105-D126 PolarHBondContact OG1-OD2 2.84Å; T105-S128 PolarHBondContact N-OG 2.84Å; T105-S128 VanDerWaalsContact OG1-CB 3.3Å; T105-S128 WeakPolarHBondContact OG1-CB 3.46Å
106	T	85.7	Confident	89.2	Confident	17 Å²	17	70.8 Å²	70.8	10%	0.104	37%	0.369	C	S	.	.	S	Bend	trans	-61.4	159.8	177.3	68.1	0	0	0	0	112.8	C104 L108 K109 D126 E301	C104-T106 VanDerWaalsContact C-N 3.29Å; C104-T106 PolarHBondContact O-N 2.85Å; T106-L108 PolarHBondContact O-N 3.14Å; T106-L108 VanDerWaalsContact O-N 3.13Å; T106-K109 PolarHBondContact O-N 3.19Å; T106-D126 HydrophobicContact CG2-CB 3.61Å; T106-D126 VanDerWaalsContact CG2-OD2 3.23Å; T106-D126 WeakPolarHBondContact CG2-OD2 3.3Å; T106-D126 PolarHBondContact N-OD2 3.35Å; T106-E301 WeakPolarHBondContact CB-OE2 3.23Å; T106-E301 WeakPolarHBondContact CG2-OE1 3.14Å; T106-E301 VanDerWaalsContact CG2-OE2 3.24Å; T106-E301 WeakPolarHBondContact CG2-OE2 3.48Å; T106-E301 PolarHBondContact OG1-OE1 3.28Å; T106-E301 PolarHBondContact OG1-OE2 2.99Å
107	D	80.8	Confident	89.8	Confident	162 Å²	162	69.5 Å²	69.5	87%	0.866	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.6	175.7	-80	-16.2	0	0	0	112.4	K109	D107-K109 VanDerWaalsContact C-N 3.33Å
108	L	81.6	Confident	90.2	Very high	17 Å²	17	69.5 Å²	69.5	9%	0.089	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-17	177.8	-74.6	175	0	0	0	113.5	T106 T110 E301 L304 M305	T106-L108 PolarHBondContact O-N 3.14Å; T106-L108 VanDerWaalsContact O-N 3.13Å; L108-T110 VanDerWaalsContact C-N 3.26Å; L108-T110 HydrophobicContact CB-CG2 3.95Å; L108-T110 PolarHBondContact O-N 3.32Å; L108-E301 HydrophobicContact CD1-CB 3.69Å; L108-E301 HydrophobicContact CD1-CG 3.86Å; L108-E301 WeakPolarHBondContact CD1-O 3.18Å; L108-L304 HydrophobicContact CD1-CB 4.03Å; L108-M305 HydrophobicContact CD1-CG 3.71Å; L108-M305 HydrophobicContact CD2-CG 3.83Å; L108-M305 HydrophobicContact CG-CG 3.74Å
109	K	86.1	Confident	90.3	Very high	105 Å²	105	66.3 Å²	66.3	46%	0.457	33%	0.333	S	S	.	.			trans	51.5	47.1	-179	-74.2	174.6	168.4	-165.3	0	111.5	P94 Q103 T106 D107	P94-K109 HydrophobicContact CG-CD 4.06Å; Q103-K109 HydrophobicContact CG-CB 4.24Å; Q103-K109 VanDerWaalsContact NE2-CB 3.35Å; Q103-K109 VanDerWaalsContact NE2-CD 3.31Å; T106-K109 PolarHBondContact O-N 3.19Å; D107-K109 VanDerWaalsContact C-N 3.33Å
110	T	87.6	Confident	90.5	Very high	31 Å²	31	59.4 Å²	59.4	19%	0.19	31%	0.311	C	S	.	.			trans	-60.3	140	-178	42.3	0	0	0	0	110.4	C104 L108 E301	C104-T110 WeakPolarHBondContact CB-OG1 3.41Å; C104-T110 PolarHBondContact N-O 3.43Å; C104-T110 PolarHBondContact SG-O 2.93Å; C104-T110 VanDerWaalsContact SG-O 3.41Å; C104-T110 PolarHBondContact SG-OG1 3.29Å; C104-T110 VanDerWaalsContact SG-OG1 3.35Å; L108-T110 VanDerWaalsContact C-N 3.26Å; L108-T110 HydrophobicContact CB-CG2 3.95Å; L108-T110 PolarHBondContact O-N 3.32Å; T110-E301 HydrophobicContact CG2-CG 4.28Å; T110-E301 WeakPolarHBondContact CG2-OE1 3.37Å; T110-E301 PolarHBondContact OG1-OE1 3.26Å
111	C	89.9	Confident	90.5	Very high	58 Å²	58	56.7 Å²	56.7	39%	0.392	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.5	179.6	-56.5	0	0	0	0	109.6	C97 E101 F102	C97-C111 VanDerWaalsContact CA-SG 3.55Å; C97-C111 HydrophobicContact CB-CB 3.8Å; C97-C111 WeakPolarHBondContact CB-SG 3.45Å; C97-C111 WeakPolarHBondContact SG-CA 2.95Å; C97-C111 WeakPolarHBondContact SG-CB 3.44Å; C97-C111 CovalentContact SG-SG 2.03Å; C97-C111 PolarHBondContact SG-SG 3.3Å; E101-C111 HydrophobicContact CB-CB 4.3Å; E101-C111 WeakPolarHBondContact OE2-CB 3.18Å; F102-C111 WeakPolarHBondContact O-CA 3.47Å
112	I	92	Very high	90.5	Very high	14 Å²	14	62 Å²	62	7%	0.072	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	159.7	172.8	65.9	166.7	0	0	0	109.8	E101 F102 K114 L116 D123 D129	E101-I112 CarbonylContact C-O 3.59Å; E101-I112 WeakPolarHBondContact CA-O 3.48Å; E101-I112 VanDerWaalsContact CB-O 3.25Å; E101-I112 WeakPolarHBondContact CB-O 3.3Å; F102-I112 HydrophobicContact CB-CG1 4.02Å; F102-I112 HydrophobicContact CD1-CD1 4.18Å; F102-I112 HydrophobicContact CD1-CG1 4.07Å; F102-I112 PolarHBondContact N-O 3Å; F102-I112 PolarHBondContact O-N 2.75Å; I112-K114 PolarHBondContact O-N 2.73Å; I112-L116 HydrophobicContact CB-CD1 4.23Å; I112-L116 HydrophobicContact CD1-CB 4.05Å; I112-D123 HydrophobicContact CD1-CB 3.93Å; I112-D129 HydrophobicContact CD1-CB 3.63Å
113	K	93.2	Very high	90.5	Very high	105 Å²	105	60.1 Å²	60.1	46%	0.457	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	134.9	179.7	-64	178.2	178.7	177.8	0	109.6	R115 L116	K113-R115 HydrophobicContact CB-CG 3.96Å; K113-R115 PolarHBondContact O-N 2.9Å; K113-L116 HydrophobicContact CB-CD1 4.24Å; K113-L116 HydrophobicContact CB-CG 4.25Å; K113-L116 WeakPolarHBondContact O-CB 3.18Å; K113-L116 WeakPolarHBondContact O-CG 3.14Å; K113-L116 PolarHBondContact O-N 3.15Å
114	K	91.9	Very high	90.5	Very high	104 Å²	104	57.2 Å²	57.2	45%	0.452	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-52.3	-28.7	179.6	-84	-175.3	173.7	179.7	0	115.4	E99 S100 E101 F102 I112 L116 E117	E99-K114 VanDerWaalsContact O-CD 3.3Å; E99-K114 WeakPolarHBondContact O-CD 3.37Å; E99-K114 WeakPolarHBondContact O-CE 3.37Å; E99-K114 PolarHBondContact O-NZ 3.44Å; S100-K114 PolarHBondContact O-N 3.44Å; S100-K114 VanDerWaalsContact O-N 3.15Å; E101-K114 WeakPolarHBondContact O-CE 3.37Å; F102-K114 HydrophobicContact CB-CG 4.45Å; I112-K114 PolarHBondContact O-N 2.73Å; K114-L116 PolarHBondContact O-N 2.81Å; K114-L116 VanDerWaalsContact O-N 3.07Å; K114-E117 WeakPolarHBondContact O-CB 3.28Å; K114-E117 PolarHBondContact O-N 3.31Å; K114-E117 VanDerWaalsContact O-N 3.14Å
115	R	92.3	Very high	90.4	Very high	129 Å²	129	61.3 Å²	61.3	49%	0.487	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-62.9	-10.5	174.8	71	178.5	-177.8	81.3	3.2	114.4	K113 N175	K113-R115 HydrophobicContact CB-CG 3.96Å; K113-R115 PolarHBondContact O-N 2.9Å; R115-N175 PolarHBondContact NH1-O 2.86Å; R115-N175 PolarHBondContact NH2-O 3.34Å; R115-N175 PolarHBondContact NH2-OD1 3.32Å
116	L	94.4	Very high	90.4	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-94.6	-17.5	-179.9	-59.4	-179.6	0	0	0	111.6	I112 K113 K114 N119 D123 F173 N175 G176	I112-L116 HydrophobicContact CB-CD1 4.23Å; I112-L116 HydrophobicContact CD1-CB 4.05Å; K113-L116 HydrophobicContact CB-CD1 4.24Å; K113-L116 HydrophobicContact CB-CG 4.25Å; K113-L116 WeakPolarHBondContact O-CB 3.18Å; K113-L116 WeakPolarHBondContact O-CG 3.14Å; K113-L116 PolarHBondContact O-N 3.15Å; K114-L116 PolarHBondContact O-N 2.81Å; K114-L116 VanDerWaalsContact O-N 3.07Å; L116-N119 VanDerWaalsContact CA-ND2 3.31Å; L116-N119 WeakPolarHBondContact CA-ND2 3.38Å; L116-N119 PolarHBondContact O-ND2 3.08Å; L116-D123 HydrophobicContact CB-CB 4.09Å; L116-D123 WeakPolarHBondContact CB-OD2 3.5Å; L116-D123 HydrophobicContact CD1-CB 4.19Å; L116-F173 HydrophobicContact CD1-CE2 4.2Å; L116-F173 HydrophobicContact CD1-CZ 4.35Å; L116-N175 VanDerWaalsContact CD2-C 3.43Å; L116-G176 VanDerWaalsContact CD2-N 3.34Å
117	E	94.3	Very high	90.7	Very high	78 Å²	78	59.1 Å²	59.1	36%	0.364	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	137.6	175	-166.1	-177.3	175.8	0	0	110.7	F102 K114 N119	F102-E117 VanDerWaalsContact CD2-CD 3.41Å; F102-E117 HydrophobicContact CD2-CG 4Å; F102-E117 HydrophobicContact CE2-CG 4.19Å; F102-E117 WeakPolarHBondContact CE2-OE1 3.32Å; F102-E117 HydrophobicContact CG-CG 4.44Å; K114-E117 WeakPolarHBondContact O-CB 3.28Å; K114-E117 PolarHBondContact O-N 3.31Å; K114-E117 VanDerWaalsContact O-N 3.14Å; E117-N119 VanDerWaalsContact C-N 3.29Å; E117-N119 PolarHBondContact O-N 2.9Å
118	C	93.8	Very high	91.3	Very high	19 Å²	19	52.6 Å²	52.6	13%	0.128	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	41.2	178.4	-47	0	0	0	0	113.5	D129 C132 P134 V135	C118-D129 PolarHBondContact N-O 3.28Å; C118-C132 WeakPolarHBondContact CA-SG 3.49Å; C118-C132 HydrophobicContact CB-CB 3.95Å; C118-C132 WeakPolarHBondContact CB-SG 3.45Å; C118-C132 WeakPolarHBondContact SG-CB 3.44Å; C118-C132 CovalentContact SG-SG 2Å; C118-C132 PolarHBondContact SG-SG 2.72Å; C118-P134 CarbonylContact O-C 3.56Å; C118-P134 VanDerWaalsContact O-CA 3.28Å; C118-P134 WeakPolarHBondContact O-CA 3.32Å; C118-V135 HydrophobicContact CB-CG2 4.2Å; C118-V135 PolarHBondContact O-N 3.14Å
119	N	92.8	Very high	91.9	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.032	26%	0.256	C	S	.	.	S	Bend	trans	-102.2	-10.3	-179.1	91.7	53.9	0	0	0	112.5	L116 E117 D121 D123 E130 K137 P138	L116-N119 VanDerWaalsContact CA-ND2 3.31Å; L116-N119 WeakPolarHBondContact CA-ND2 3.38Å; L116-N119 PolarHBondContact O-ND2 3.08Å; E117-N119 VanDerWaalsContact C-N 3.29Å; E117-N119 PolarHBondContact O-N 2.9Å; N119-D121 WeakPolarHBondContact OD1-CB 3.34Å; N119-D121 VanDerWaalsContact OD1-CG 3.28Å; N119-D121 PolarHBondContact OD1-N 3.19Å; N119-D121 VanDerWaalsContact OD1-N 3.07Å; N119-D121 PolarHBondContact OD1-OD2 2.81Å; N119-D123 PolarHBondContact ND2-OD2 3.15Å; N119-E130 PolarHBondContact N-OE1 2.88Å; N119-K137 VanDerWaalsContact O-CA 3.27Å; N119-K137 WeakPolarHBondContact O-CA 3.4Å; N119-P138 HydrophobicContact CB-CG 4.43Å; N119-P138 VanDerWaalsContact O-CD 3.26Å; N119-P138 WeakPolarHBondContact O-CD 3.48Å; N119-P138 WeakPolarHBondContact OD1-CD 3.44Å; N119-P138 WeakPolarHBondContact OD1-CG 3.4Å
120	G	90.4	Very high	92.3	Very high	37 Å²	37	48.3 Å²	48.3	38%	0.381	24%	0.241	S	C	.	.	S	Bend	trans	86.4	10.7	-178.5	0	0	0	0	0	114	E130	G120-E130 WeakPolarHBondContact CA-OE2 3.45Å; G120-E130 PolarHBondContact N-OE1 3.41Å; G120-E130 PolarHBondContact N-OE2 3.15Å
121	D	92.1	Very high	92.5	Very high	24 Å²	24	54.3 Å²	54.3	13%	0.128	27%	0.272	C	S	.	.	S	Bend	trans	-118.1	137.1	171.3	-64.2	-30.4	0	0	0	108.4	N119 D123 E130 P138 R191	N119-D121 WeakPolarHBondContact OD1-CB 3.34Å; N119-D121 VanDerWaalsContact OD1-CG 3.28Å; N119-D121 PolarHBondContact OD1-N 3.19Å; N119-D121 VanDerWaalsContact OD1-N 3.07Å; N119-D121 PolarHBondContact OD1-OD2 2.81Å; D121-D123 PolarHBondContact O-N 2.84Å; D121-E130 PolarHBondContact N-OE1 3.07Å; D121-E130 WeakPolarHBondContact O-CG 3.16Å; D121-P138 WeakPolarHBondContact OD2-CG 3.23Å; D121-R191 VanDerWaalsContact CG-NH1 3.27Å; D121-R191 IonicContact OD1-CZ 3.82Å; D121-R191 IonicContact OD1-NH1 2.73Å; D121-R191 PolarHBondContact OD1-NH1 3.01Å; D121-R191 IonicContact OD1-NH2 2.73Å; D121-R191 IonicContact OD2-CZ 2.74Å; D121-R191 VanDerWaalsContact OD2-CZ 3.24Å; D121-R191 IonicContact OD2-NH1 3.88Å; D121-R191 PolarHBondContact OD2-NH1 2.83Å; D121-R191 VanDerWaalsContact OD2-NH1 3.08Å; D121-R191 IonicContact OD2-NH2 3.75Å; D121-R191 PolarHBondContact OD2-NH2 3.38Å
122	Y	91.7	Very high	92.5	Very high	174 Å²	174	53.8 Å²	53.8	68%	0.682	27%	0.268	S	S	*	.			trans	-72.5	91	172.5	-62.8	-61.9	0	0	0	110.2	E130	Y122-E130 HydrophobicContact CD1-CB 4.21Å; Y122-E130 HydrophobicContact CD1-CG 4.09Å; Y122-E130 HydrophobicContact CE1-CB 4.13Å; Y122-E130 HydrophobicContact CE1-CG 4.44Å
123	D	93.3	Very high	92.5	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.027	30%	0.303	C	S	.	.			trans	-86.1	-25.9	174.9	-71.7	-75.2	0	0	0	111.6	I112 L116 N119 D121 D129 F173 N175	I112-D123 HydrophobicContact CD1-CB 3.93Å; L116-D123 HydrophobicContact CB-CB 4.09Å; L116-D123 WeakPolarHBondContact CB-OD2 3.5Å; L116-D123 HydrophobicContact CD1-CB 4.19Å; N119-D123 PolarHBondContact ND2-OD2 3.15Å; D121-D123 PolarHBondContact O-N 2.84Å; D123-D129 WeakPolarHBondContact CA-OD2 3.4Å; D123-D129 VanDerWaalsContact CB-OD2 3.29Å; D123-D129 WeakPolarHBondContact CB-OD2 3.32Å; D123-D129 PolarHBondContact N-OD2 3.49Å; D123-F173 HydrophobicContact CB-CD2 4.18Å; D123-F173 HydrophobicContact CB-CE2 3.96Å; D123-F173 VanDerWaalsContact OD1-CD2 3.3Å; D123-F173 WeakPolarHBondContact OD1-CD2 3.4Å; D123-F173 WeakPolarHBondContact OD1-CE2 3.46Å; D123-N175 PolarHBondContact OD1-N 2.82Å
124	C	93	Very high	92.1	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.014	30%	0.299	C	S	.	.	S	Bend	trans	-86.4	138.5	160.7	-65	0	0	0	0	110.6	C104 D126 G127 D129	C104-C124 VanDerWaalsContact CA-SG 3.6Å; C104-C124 HydrophobicContact CB-CB 3.74Å; C104-C124 WeakPolarHBondContact CB-SG 3.26Å; C104-C124 WeakPolarHBondContact SG-CB 3.46Å; C104-C124 CovalentContact SG-SG 2.03Å; C104-C124 PolarHBondContact SG-SG 3.49Å; C124-D126 WeakPolarHBondContact CB-OD1 3.18Å; C124-D126 PolarHBondContact O-N 3.11Å; C124-G127 PolarHBondContact O-N 3.07Å; C124-D129 HydrophobicContact CB-CB 4.41Å; C124-D129 WeakPolarHBondContact CB-OD1 3.27Å; C124-D129 PolarHBondContact N-OD1 3.3Å; C124-D129 VanDerWaalsContact N-OD1 3.12Å; C124-D129 PolarHBondContact N-OD2 3.24Å
125	E	90.6	Very high	91.7	Very high	89 Å²	89	59.1 Å²	59.1	42%	0.416	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.9	179.6	-74.6	-171.6	-152.1	0	0	113.3	N170 A300 E301	E125-N170 WeakPolarHBondContact CG-ND2 3.5Å; E125-N170 WeakPolarHBondContact OE1-CB 3.44Å; E125-N170 PolarHBondContact OE1-ND2 3.41Å; E125-N170 VanDerWaalsContact OE1-ND2 3.12Å; E125-A300 WeakPolarHBondContact OE1-CA 3.35Å; E125-E301 HydrophobicContact CB-CG 4.34Å; E125-E301 HydrophobicContact CG-CG 4.2Å; E125-E301 PolarHBondContact OE1-N 2.92Å
126	D	90.8	Very high	91.4	Very high	66 Å²	66	63 Å²	63	35%	0.353	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-5.9	171.8	63.8	-2.3	0	0	0	114.1	T105 T106 C124 S128	T105-D126 VanDerWaalsContact C-OD2 3.26Å; T105-D126 WeakPolarHBondContact CA-OD2 3.38Å; T105-D126 WeakPolarHBondContact CB-OD2 3.39Å; T105-D126 PolarHBondContact N-OD2 2.97Å; T105-D126 VanDerWaalsContact N-OD2 3.11Å; T105-D126 PolarHBondContact OG1-OD2 2.84Å; T106-D126 HydrophobicContact CG2-CB 3.61Å; T106-D126 VanDerWaalsContact CG2-OD2 3.23Å; T106-D126 WeakPolarHBondContact CG2-OD2 3.3Å; T106-D126 PolarHBondContact N-OD2 3.35Å; C124-D126 WeakPolarHBondContact CB-OD1 3.18Å; C124-D126 PolarHBondContact O-N 3.11Å; D126-S128 VanDerWaalsContact C-N 3.27Å; D126-S128 VanDerWaalsContact CG-OG 3.29Å; D126-S128 PolarHBondContact O-N 2.82Å; D126-S128 VanDerWaalsContact OD1-CB 3.29Å; D126-S128 WeakPolarHBondContact OD1-CB 3.26Å; D126-S128 PolarHBondContact OD1-N 2.97Å; D126-S128 PolarHBondContact OD1-OG 3.46Å; D126-S128 PolarHBondContact OD2-OG 3.03Å
127	G	91.8	Very high	91.3	Very high	15 Å²	15	68.6 Å²	68.6	16%	0.155	35%	0.353	C	S	.	.			trans	67.7	18.5	-176	0	0	0	0	0	115.5	C124 D129 E130	C124-G127 PolarHBondContact O-N 3.07Å; G127-D129 PolarHBondContact O-N 3.37Å; G127-E130 PolarHBondContact O-N 3.34Å
128	S	94.1	Very high	91.2	Very high	24 Å²	24	66.7 Å²	66.7	17%	0.168	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-65.7	-16	-179	54.8	0	0	0	0	114.8	C104 T105 D126 E130	C104-S128 WeakPolarHBondContact CA-OG 3.27Å; T105-S128 PolarHBondContact N-OG 2.84Å; T105-S128 VanDerWaalsContact OG1-CB 3.3Å; T105-S128 WeakPolarHBondContact OG1-CB 3.46Å; D126-S128 VanDerWaalsContact C-N 3.27Å; D126-S128 VanDerWaalsContact CG-OG 3.29Å; D126-S128 PolarHBondContact O-N 2.82Å; D126-S128 VanDerWaalsContact OD1-CB 3.29Å; D126-S128 WeakPolarHBondContact OD1-CB 3.26Å; D126-S128 PolarHBondContact OD1-N 2.97Å; D126-S128 PolarHBondContact OD1-OG 3.46Å; D126-S128 PolarHBondContact OD2-OG 3.03Å; S128-E130 VanDerWaalsContact C-N 3.3Å
129	D	93.9	Very high	91.1	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.005	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-80.2	-8.8	176.1	60.7	-46.2	0	0	0	114.1	F102 I112 C118 D123 C124 G127	F102-D129 HydrophobicContact CD1-CB 4.21Å; F102-D129 HydrophobicContact CE1-CB 4.02Å; I112-D129 HydrophobicContact CD1-CB 3.63Å; C118-D129 PolarHBondContact N-O 3.28Å; D123-D129 WeakPolarHBondContact CA-OD2 3.4Å; D123-D129 VanDerWaalsContact CB-OD2 3.29Å; D123-D129 WeakPolarHBondContact CB-OD2 3.32Å; D123-D129 PolarHBondContact N-OD2 3.49Å; C124-D129 HydrophobicContact CB-CB 4.41Å; C124-D129 WeakPolarHBondContact CB-OD1 3.27Å; C124-D129 PolarHBondContact N-OD1 3.3Å; C124-D129 VanDerWaalsContact N-OD1 3.12Å; C124-D129 PolarHBondContact N-OD2 3.24Å; G127-D129 PolarHBondContact O-N 3.37Å
130	E	94.5	Very high	91	Very high	31 Å²	31	68.1 Å²	68.1	15%	0.145	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-115.7	18.4	-173.7	-65.3	-62.8	151.1	0	0	113.2	N119 G120 D121 Y122 G127 S128 C132	N119-E130 PolarHBondContact N-OE1 2.88Å; G120-E130 WeakPolarHBondContact CA-OE2 3.45Å; G120-E130 PolarHBondContact N-OE1 3.41Å; G120-E130 PolarHBondContact N-OE2 3.15Å; D121-E130 PolarHBondContact N-OE1 3.07Å; D121-E130 WeakPolarHBondContact O-CG 3.16Å; Y122-E130 HydrophobicContact CD1-CB 4.21Å; Y122-E130 HydrophobicContact CD1-CG 4.09Å; Y122-E130 HydrophobicContact CE1-CB 4.13Å; Y122-E130 HydrophobicContact CE1-CG 4.44Å; G127-E130 PolarHBondContact O-N 3.34Å; S128-E130 VanDerWaalsContact C-N 3.3Å; E130-C132 PolarHBondContact O-N 2.83Å
131	D	91.7	Very high	90.8	Very high	157 Å²	157	72.5 Å²	72.5	84%	0.84	39%	0.39	S	S	*	.	S	Bend	trans	-78.6	54.5	170.5	-166.6	21.6	0	0	0	111.8
132	C	90.9	Very high	90.6	Very high	47 Å²	47	73.6 Å²	73.6	32%	0.318	40%	0.4	S	S	.	.	S	Bend	trans	-168.2	164.2	-175.4	42.7	0	0	0	0	111.7	C118 E130	C118-C132 WeakPolarHBondContact CA-SG 3.49Å; C118-C132 HydrophobicContact CB-CB 3.95Å; C118-C132 WeakPolarHBondContact CB-SG 3.45Å; C118-C132 WeakPolarHBondContact SG-CB 3.44Å; C118-C132 CovalentContact SG-SG 2Å; C118-C132 PolarHBondContact SG-SG 2.72Å; E130-C132 PolarHBondContact O-N 2.83Å
133	D	90.5	Very high	90.3	Very high	148 Å²	148	72.5 Å²	72.5	79%	0.791	41%	0.406	S	S	*	.			trans	-72.5	131	172.6	-73.1	-44.2	0	0	0	110.8	V135	D133-V135 PolarHBondContact O-N 3.01Å; D133-V135 VanDerWaalsContact O-N 3.13Å
134	P	86.4	Confident	90.1	Very high	58 Å²	58	73.7 Å²	73.7	38%	0.377	41%	0.412	S	S	.	.			trans	-67.2	116.1	-174.4	24.7	-33.2	0	0	0	111.1	C118 K137	C118-P134 CarbonylContact O-C 3.56Å; C118-P134 VanDerWaalsContact O-CA 3.28Å; C118-P134 WeakPolarHBondContact O-CA 3.32Å; P134-K137 HydrophobicContact CB-CG 4.28Å
135	V	83.2	Confident	89.8	Confident	129 Å²	129	78.8 Å²	78.8	78%	0.782	44%	0.439	S	S	*	.	S	Bend	trans	-75.7	-41.4	-176.7	-177.1	0	0	0	0	110.7	C118 D133	C118-V135 HydrophobicContact CB-CG2 4.2Å; C118-V135 PolarHBondContact O-N 3.14Å; D133-V135 PolarHBondContact O-N 3.01Å; D133-V135 VanDerWaalsContact O-N 3.13Å
136	R	85.1	Confident	89.8	Confident	211 Å²	211	74.9 Å²	74.9	80%	0.796	42%	0.421	S	S	*	.			trans	-151.3	100.3	-178.3	-174.1	-178.7	178	171.4	0.2	112.2	P138	R136-P138 WeakPolarHBondContact O-CD 3.45Å
137	K	92	Very high	89.8	Confident	119 Å²	119	72.2 Å²	72.2	52%	0.517	41%	0.407	S	S	.	.			trans	-64.4	125	173.8	-62.3	-168	178.7	-164.7	0	112.5	N119 P134 C139 G140	N119-K137 VanDerWaalsContact O-CA 3.27Å; N119-K137 WeakPolarHBondContact O-CA 3.4Å; P134-K137 HydrophobicContact CB-CG 4.28Å; K137-C139 VanDerWaalsContact C-N 3.25Å; K137-C139 PolarHBondContact O-N 3.31Å; K137-G140 WeakPolarHBondContact CB-O 3.36Å; K137-G140 PolarHBondContact O-N 2.94Å
138	P	92.4	Very high	89.8	Confident	38 Å²	38	74.5 Å²	74.5	25%	0.247	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-36.5	178.4	-32.5	40.2	0	0	0	114.2	N119 D121 R136 C178	N119-P138 HydrophobicContact CB-CG 4.43Å; N119-P138 VanDerWaalsContact O-CD 3.26Å; N119-P138 WeakPolarHBondContact O-CD 3.48Å; N119-P138 WeakPolarHBondContact OD1-CD 3.44Å; N119-P138 WeakPolarHBondContact OD1-CG 3.4Å; D121-P138 WeakPolarHBondContact OD2-CG 3.23Å; R136-P138 WeakPolarHBondContact O-CD 3.45Å; P138-C178 WeakPolarHBondContact O-CB 3.35Å
139	C	92.8	Very high	89.7	Confident	12 Å²	12	73.6 Å²	73.6	8%	0.081	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	8.1	177.6	-70.7	0	0	0	0	114.4	K137 S141 S142 C178 R180	K137-C139 VanDerWaalsContact C-N 3.25Å; K137-C139 PolarHBondContact O-N 3.31Å; C139-S141 PolarHBondContact O-N 3.48Å; C139-S142 WeakPolarHBondContact CB-O 3.39Å; C139-S142 WeakPolarHBondContact O-CB 3.35Å; C139-S142 PolarHBondContact O-N 3.45Å; C139-C178 WeakPolarHBondContact CA-SG 3.43Å; C139-C178 HydrophobicContact CB-CB 3.97Å; C139-C178 WeakPolarHBondContact CB-SG 3.22Å; C139-C178 WeakPolarHBondContact SG-CB 3.4Å; C139-C178 CovalentContact SG-SG 2.03Å; C139-C178 PolarHBondContact SG-SG 3.38Å; C139-R180 PolarHBondContact O-NH2 3.28Å
140	G	89.9	Confident	89.7	Confident	43 Å²	43	73.6 Å²	73.6	44%	0.443	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	-129	-175.2	0	0	0	0	0	111.3	K137 S142	K137-G140 WeakPolarHBondContact CB-O 3.36Å; K137-G140 PolarHBondContact O-N 2.94Å; G140-S142 VanDerWaalsContact C-N 3.35Å
141	S	86.6	Confident	89.7	Confident	129 Å²	129	75.9 Å²	75.9	90%	0.902	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.9	176.7	63.7	0	0	0	0	114	C139	C139-S141 PolarHBondContact O-N 3.48Å
142	S	87.3	Confident	89.7	Confident	48 Å²	48	69.4 Å²	69.4	34%	0.336	38%	0.38	S	S	.	.			trans	-81	121.3	179.5	-53.6	0	0	0	0	109.4	C139 G140	C139-S142 WeakPolarHBondContact CB-O 3.39Å; C139-S142 WeakPolarHBondContact O-CB 3.35Å; C139-S142 PolarHBondContact O-N 3.45Å; G140-S142 VanDerWaalsContact C-N 3.35Å
143	D	84.8	Confident	89.9	Confident	151 Å²	151	67.2 Å²	67.2	81%	0.807	37%	0.365	S	S	*	.			trans	-87.5	111.2	167.9	-160.8	5.7	0	0	0	108.3
144	L	89.8	Confident	90.1	Very high	29 Å²	29	60.1 Å²	60.1	15%	0.152	33%	0.327	C	S	.	.			trans	-126.1	113.3	-173.6	-62	179.8	0	0	0	109.4	R180 R191	L144-R180 HydrophobicContact CD1-CG 3.75Å; L144-R180 VanDerWaalsContact CD1-NE 3.34Å; L144-R191 HydrophobicContact CB-CB 3.95Å; L144-R191 WeakPolarHBondContact O-CB 3.38Å
145	D	86.4	Confident	90.5	Very high	110 Å²	110	60.1 Å²	60.1	59%	0.588	32%	0.32	S	S	*	.			trans	-77	155.1	176	-72.2	-46.1	0	0	0	112.4	D190 R191	D145-D190 WeakPolarHBondContact O-CA 3.03Å; D145-R191 PolarHBondContact O-N 3.22Å
146	N	90.5	Very high	90.9	Very high	6 Å²	6	54 Å²	54	3%	0.032	28%	0.283	C	S	.	.			trans	-64.6	162.3	160.5	-151.4	-16.4	0	0	0	110.6	R151 N171 D172 Y174 R191 P193	N146-R151 HydrophobicContact CB-CG 3.99Å; N146-R151 WeakPolarHBondContact ND2-CG 3.44Å; N146-N171 PolarHBondContact ND2-O 2.95Å; N146-D172 PolarHBondContact ND2-OD1 3.26Å; N146-Y174 VanDerWaalsContact CB-OH 3.23Å; N146-Y174 WeakPolarHBondContact CB-OH 3.23Å; N146-R191 PolarHBondContact OD1-O 3Å; N146-P193 VanDerWaalsContact ND2-CG 3.29Å; N146-P193 WeakPolarHBondContact ND2-CG 3.48Å; N146-P193 WeakPolarHBondContact OD1-CD 2.96Å; N146-P193 VanDerWaalsContact OD1-CG 3.3Å; N146-P193 WeakPolarHBondContact OD1-CG 3.27Å
147	N	91.3	Very high	91.3	Very high	11 Å²	11	44 Å²	44	6%	0.059	25%	0.245	C	C	.	.			trans	-106	160.3	166.2	67.1	-6.6	0	0	0	111.6	Q149 G150 R151 D190 L199 Y201	N147-Q149 PolarHBondContact ND2-OE1 3.14Å; N147-Q149 PolarHBondContact O-N 2.86Å; N147-G150 PolarHBondContact O-N 3.38Å; N147-G150 VanDerWaalsContact O-N 3.1Å; N147-G150 VanDerWaalsContact OD1-CA 3.25Å; N147-G150 WeakPolarHBondContact OD1-CA 3.4Å; N147-G150 PolarHBondContact OD1-N 3.06Å; N147-R151 WeakPolarHBondContact O-CG 3.32Å; N147-R151 PolarHBondContact O-N 2.97Å; N147-D190 HydrophobicContact CB-CB 4.13Å; N147-L199 WeakPolarHBondContact ND2-CD2 3.11Å; N147-Y201 PolarHBondContact ND2-OH 2.73Å
148	E	91.9	Very high	91.2	Very high	62 Å²	62	38.3 Å²	38.3	29%	0.29	22%	0.22	S	C	.	.	H	α-helix	trans	-65.6	-29.5	-179.7	-63.8	-55.8	134	0	0	112.3	G150 R151 T152 D451 P453	E148-G150 VanDerWaalsContact C-N 3.29Å; E148-G150 PolarHBondContact O-N 3.4Å; E148-R151 IonicContact OE1-CZ 3.08Å; E148-R151 IonicContact OE1-NH1 2.71Å; E148-R151 PolarHBondContact OE1-NH1 2.78Å; E148-T152 VanDerWaalsContact O-CB 3.31Å; E148-T152 WeakPolarHBondContact O-CB 3.36Å; E148-T152 VanDerWaalsContact O-CG2 3.28Å; E148-T152 WeakPolarHBondContact O-CG2 3.44Å; E148-T152 PolarHBondContact O-N 2.95Å; E148-T152 PolarHBondContact O-OG1 3.41Å; E148-D451 WeakPolarHBondContact CG-O 3.37Å; E148-P453 HydrophobicContact CB-CG 3.89Å
149	Q	92.3	Very high	91.2	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.028	21%	0.211	C	C	.	.	H	α-helix	trans	-66.1	-32.8	175.6	-59.9	77.7	8.2	0	0	112.1	N147 A153 L199 S336 A450 P453	N147-Q149 PolarHBondContact ND2-OE1 3.14Å; N147-Q149 PolarHBondContact O-N 2.86Å; Q149-A153 PolarHBondContact O-N 2.81Å; Q149-L199 HydrophobicContact CB-CD1 4.22Å; Q149-L199 HydrophobicContact CB-CD2 4.46Å; Q149-S336 WeakPolarHBondContact CG-OG 3.45Å; Q149-A450 PolarHBondContact NE2-O 2.87Å; Q149-P453 HydrophobicContact CG-CB 4.23Å; Q149-P453 HydrophobicContact CG-CG 4.11Å
150	G	94.2	Very high	91.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-79.3	-46.1	175.5	0	0	0	0	0	111.8	N147 E148 T152 A153 N171	N147-G150 PolarHBondContact O-N 3.38Å; N147-G150 VanDerWaalsContact O-N 3.1Å; N147-G150 VanDerWaalsContact OD1-CA 3.25Å; N147-G150 WeakPolarHBondContact OD1-CA 3.4Å; N147-G150 PolarHBondContact OD1-N 3.06Å; E148-G150 VanDerWaalsContact C-N 3.29Å; E148-G150 PolarHBondContact O-N 3.4Å; G150-T152 VanDerWaalsContact C-N 3.3Å; G150-T152 PolarHBondContact O-N 2.88Å; G150-A153 WeakPolarHBondContact O-CB 3.45Å; G150-A153 PolarHBondContact O-N 3.44Å; G150-N171 PolarHBondContact O-ND2 3.41Å
151	R	93.1	Very high	90.9	Very high	80 Å²	80	34.3 Å²	34.3	30%	0.302	19%	0.186	S	C	.	.	H	α-helix	trans	-55.4	-44.8	175.8	-73.2	-175.7	174.2	124.8	3.9	112.4	N146 N147 E148 A153 N167 N171 D172	N146-R151 HydrophobicContact CB-CG 3.99Å; N146-R151 WeakPolarHBondContact ND2-CG 3.44Å; N147-R151 WeakPolarHBondContact O-CG 3.32Å; N147-R151 PolarHBondContact O-N 2.97Å; E148-R151 IonicContact OE1-CZ 3.08Å; E148-R151 IonicContact OE1-NH1 2.71Å; E148-R151 PolarHBondContact OE1-NH1 2.78Å; R151-A153 VanDerWaalsContact C-N 3.35Å; R151-N167 PolarHBondContact O-ND2 3.12Å; R151-N171 WeakPolarHBondContact O-CB 3.24Å; R151-N171 PolarHBondContact O-ND2 3.14Å; R151-D172 IonicContact NE-OD1 2.64Å; R151-D172 PolarHBondContact NE-OD1 3.03Å
152	T	92.6	Very high	90.5	Very high	21 Å²	21	28.3 Å²	28.3	13%	0.129	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-0.8	-176	63.9	0	0	0	0	114.1	E148 G150 Y155	E148-T152 VanDerWaalsContact O-CB 3.31Å; E148-T152 WeakPolarHBondContact O-CB 3.36Å; E148-T152 VanDerWaalsContact O-CG2 3.28Å; E148-T152 WeakPolarHBondContact O-CG2 3.44Å; E148-T152 PolarHBondContact O-N 2.95Å; E148-T152 PolarHBondContact O-OG1 3.41Å; G150-T152 VanDerWaalsContact C-N 3.3Å; G150-T152 PolarHBondContact O-N 2.88Å; T152-Y155 WeakPolarHBondContact CB-OH 3.26Å; T152-Y155 HydrophobicContact CG2-CE2 4.25Å; T152-Y155 WeakPolarHBondContact CG2-OH 2.98Å; T152-Y155 WeakPolarHBondContact O-CD2 3.18Å; T152-Y155 VanDerWaalsContact O-CE2 3.27Å; T152-Y155 WeakPolarHBondContact O-CE2 3.43Å
153	A	95.6	Very high	90.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	143	178.4	0	0	0	0	0	111.5	Q149 G150 R151 N167 N171 V196 Y290 M292	Q149-A153 PolarHBondContact O-N 2.81Å; G150-A153 WeakPolarHBondContact O-CB 3.45Å; G150-A153 PolarHBondContact O-N 3.44Å; R151-A153 VanDerWaalsContact C-N 3.35Å; A153-N167 PolarHBondContact O-ND2 3.1Å; A153-N171 PolarHBondContact O-ND2 2.92Å; A153-V196 HydrophobicContact CB-CG2 3.73Å; A153-Y290 HydrophobicContact CB-CD1 4.36Å; A153-Y290 HydrophobicContact CB-CD2 3.77Å; A153-Y290 HydrophobicContact CB-CE1 4.45Å; A153-Y290 HydrophobicContact CB-CE2 3.89Å; A153-Y290 HydrophobicContact CB-CG 4.02Å; A153-M292 HydrophobicContact CB-SD 3.74Å
154	G	94.9	Very high	90.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	10.7	174.1	0	0	0	0	0	115.9	G156 F169 Y290 T331	G154-G156 PolarHBondContact O-N 2.74Å; G154-F169 WeakPolarHBondContact O-CE2 3.22Å; G154-Y290 PolarHBondContact N-OH 2.88Å; G154-T331 WeakPolarHBondContact CA-O 3.34Å
155	Y	93.1	Very high	90.3	Very high	57 Å²	57	24.3 Å²	24.3	22%	0.224	12%	0.12	C	C	.	.			trans	-41.2	140.4	175.5	-80.7	-56.8	0	0	0	113.8	T152 P164 R165 N167 T331 L455	T152-Y155 WeakPolarHBondContact CB-OH 3.26Å; T152-Y155 HydrophobicContact CG2-CE2 4.25Å; T152-Y155 WeakPolarHBondContact CG2-OH 2.98Å; T152-Y155 WeakPolarHBondContact O-CD2 3.18Å; T152-Y155 VanDerWaalsContact O-CE2 3.27Å; T152-Y155 WeakPolarHBondContact O-CE2 3.43Å; Y155-P164 HydrophobicContact CD1-CB 4.36Å; Y155-P164 HydrophobicContact CD2-CB 4.24Å; Y155-P164 HydrophobicContact CG-CB 3.99Å; Y155-R165 WeakPolarHBondContact CD1-O 3Å; Y155-N167 HydrophobicContact CD1-CB 3.96Å; Y155-N167 HydrophobicContact CE1-CB 4.19Å; Y155-T331 PolarHBondContact O-N 2.9Å; Y155-T331 PolarHBondContact O-OG1 2.8Å; Y155-T331 VanDerWaalsContact O-OG1 3.05Å; Y155-L455 HydrophobicContact CD2-CB 4.37Å
156	G	93.2	Very high	90.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	146	166.1	0	0	0	0	0	112	G154 R165 M166 Y326 H329	G154-G156 PolarHBondContact O-N 2.74Å; G156-R165 PolarHBondContact O-N 3.48Å; G156-M166 PolarHBondContact N-O 2.84Å; G156-Y326 WeakPolarHBondContact CA-O 3.47Å; G156-H329 CarbonylContact C-O 3.52Å; G156-H329 WeakPolarHBondContact CA-O 3.13Å
157	V	92.1	Very high	90.7	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	142.3	174.9	-61.6	0	0	0	0	110.2	D163 G327 T328 H329 T331 L455 P460	V157-D163 HydrophobicContact CG1-CB 4.29Å; V157-G327 WeakPolarHBondContact O-CA 3.13Å; V157-T328 PolarHBondContact O-N 2.94Å; V157-H329 HydrophobicContact CG2-CB 3.76Å; V157-H329 PolarHBondContact N-O 2.93Å; V157-H329 PolarHBondContact O-N 3.06Å; V157-H329 VanDerWaalsContact O-O 3.12Å; V157-T331 WeakPolarHBondContact CG1-OG1 3.32Å; V157-L455 HydrophobicContact CG1-CD2 3.87Å; V157-P460 HydrophobicContact CG2-CB 3.88Å
158	N	91.4	Very high	90.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.			trans	-108.3	123.2	175.8	-170.7	-47	0	0	0	109.2	L160 G161 A162 L323 Y488	N158-L160 PolarHBondContact O-N 2.68Å; N158-L160 PolarHBondContact OD1-N 2.81Å; N158-G161 PolarHBondContact O-N 2.57Å; N158-A162 HydrophobicContact CB-CB 3.67Å; N158-A162 PolarHBondContact O-N 3.15Å; N158-L323 PolarHBondContact ND2-O 3.4Å; N158-Y488 WeakPolarHBondContact ND2-CE1 3.29Å; N158-Y488 PolarHBondContact ND2-OH 3.01Å
159	I	91.2	Very high	91.1	Very high	9 Å²	9	19.5 Å²	19.5	5%	0.046	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-14.5	-179.8	58.4	-178.7	0	0	0	114.7	G161 F230 T328 H329 T485 I489	I159-G161 PolarHBondContact O-N 2.91Å; I159-F230 HydrophobicContact CB-CB 4.43Å; I159-F230 HydrophobicContact CB-CD2 4.46Å; I159-F230 HydrophobicContact CB-CG 4.32Å; I159-F230 HydrophobicContact CG2-CD1 4.41Å; I159-F230 HydrophobicContact CG2-CG 4.41Å; I159-F230 WeakPolarHBondContact O-CD2 3.22Å; I159-T328 HydrophobicContact CD1-CG2 4.44Å; I159-T328 HydrophobicContact CG1-CG2 4.27Å; I159-T328 WeakPolarHBondContact CG1-OG1 3.09Å; I159-T328 PolarHBondContact N-OG1 2.83Å; I159-H329 WeakPolarHBondContact CG2-ND1 3.29Å; I159-T485 HydrophobicContact CD1-CG2 4.37Å; I159-I489 HydrophobicContact CD1-CD1 3.35Å; I159-I489 HydrophobicContact CD1-CG1 3.39Å; I159-I489 HydrophobicContact CG1-CG1 4.4Å
160	L	91.9	Very high	91.2	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	24.7	171.7	-55.5	-173.3	0	0	0	112.4	N158 A234 F238 K239 Y488 Y492	N158-L160 PolarHBondContact O-N 2.68Å; N158-L160 PolarHBondContact OD1-N 2.81Å; L160-A234 HydrophobicContact CD2-CB 4.26Å; L160-F238 WeakPolarHBondContact O-CA 2.97Å; L160-K239 HydrophobicContact CB-CB 4.01Å; L160-K239 HydrophobicContact CD1-CB 4.07Å; L160-K239 PolarHBondContact O-N 3.41Å; L160-Y488 HydrophobicContact CD1-CD1 3.81Å; L160-Y488 HydrophobicContact CD1-CE1 3.52Å; L160-Y488 HydrophobicContact CG-CD1 4.36Å; L160-Y488 HydrophobicContact CG-CE1 4.04Å; L160-Y492 HydrophobicContact CD1-CD2 4.24Å; L160-Y492 HydrophobicContact CD1-CG 4.29Å
161	G	84.4	Confident	91.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	24	169.7	0	0	0	0	0	114.9	N158 I159 D163 K228 F240	N158-G161 PolarHBondContact O-N 2.57Å; I159-G161 PolarHBondContact O-N 2.91Å; G161-D163 PolarHBondContact O-N 3.43Å; G161-K228 WeakPolarHBondContact O-CE 3.3Å; G161-K228 PolarHBondContact O-NZ 3.02Å; G161-F240 WeakPolarHBondContact O-CD1 3.28Å
162	A	78.6	Confident	91.2	Very high	3 Å²	3	20.5 Å²	20.5	3%	0.025	11%	0.106	C	C	.	.			trans	-103.5	48.9	-174.1	0	0	0	0	0	112.2	N158 R165 K239	N158-A162 HydrophobicContact CB-CB 3.67Å; N158-A162 PolarHBondContact O-N 3.15Å; A162-R165 WeakPolarHBondContact O-CD 3.43Å; A162-R165 VanDerWaalsContact O-CG 3.27Å; A162-R165 WeakPolarHBondContact O-CG 3.45Å; A162-R165 PolarHBondContact O-NE 3.38Å; A162-K239 WeakPolarHBondContact CB-O 3.19Å
163	D	80.5	Confident	91.3	Very high	37 Å²	37	20.1 Å²	20.1	20%	0.198	10%	0.103	C	C	.	.			trans	-96.8	145.1	-174.7	58.6	-75.2	0	0	0	114.3	V157 G161 K228 K417	V157-D163 HydrophobicContact CG1-CB 4.29Å; G161-D163 PolarHBondContact O-N 3.43Å; D163-K228 IonicContact OD1-NZ 2.95Å; D163-K228 PolarHBondContact OD1-NZ 3Å; D163-K417 IonicContact OD2-NZ 2.73Å; D163-K417 PolarHBondContact OD2-NZ 3.41Å; D163-K417 VanDerWaalsContact OD2-NZ 3.14Å
164	P	87.8	Confident	91.3	Very high	65 Å²	65	21.2 Å²	21.2	42%	0.422	11%	0.107	S	C	.	.	S	Bend	cis	-80.4	165.9	-13.1	34.2	-34.7	0	0	0	112.9	Y155 L455	Y155-P164 HydrophobicContact CD1-CB 4.36Å; Y155-P164 HydrophobicContact CD2-CB 4.24Å; Y155-P164 HydrophobicContact CG-CB 3.99Å; P164-L455 HydrophobicContact CB-CD2 4.48Å
165	R	90.1	Very high	91.2	Very high	42 Å²	42	21.9 Å²	21.9	16%	0.158	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-117.7	177.9	173.6	-67.4	-58.9	176.3	169.3	2.1	111.3	Y155 G156 A162 N167 N242 E324 D325 Y326	Y155-R165 WeakPolarHBondContact CD1-O 3Å; G156-R165 PolarHBondContact O-N 3.48Å; A162-R165 WeakPolarHBondContact O-CD 3.43Å; A162-R165 VanDerWaalsContact O-CG 3.27Å; A162-R165 WeakPolarHBondContact O-CG 3.45Å; A162-R165 PolarHBondContact O-NE 3.38Å; R165-N167 PolarHBondContact O-N 2.83Å; R165-N242 VanDerWaalsContact CZ-OD1 3.25Å; R165-N242 PolarHBondContact NH1-ND2 3.28Å; R165-N242 PolarHBondContact NH1-OD1 3.1Å; R165-N242 PolarHBondContact NH2-OD1 3.26Å; R165-E324 WeakPolarHBondContact CD-O 3.2Å; R165-E324 VanDerWaalsContact CZ-O 3.29Å; R165-E324 PolarHBondContact NE-O 2.78Å; R165-E324 PolarHBondContact NH1-O 3.33Å; R165-D325 WeakPolarHBondContact CB-O 3.19Å; R165-Y326 VanDerWaalsContact CB-C 3.47Å; R165-Y326 WeakPolarHBondContact CB-O 3.34Å
166	M	91.3	Very high	91.2	Very high	43 Å²	43	20.1 Å²	20.1	21%	0.212	11%	0.11	C	C	.	.			trans	-49.9	140.4	-179.4	-67.6	175.3	73.4	0	0	111	G156 P168 V252 D325 Y326	G156-M166 PolarHBondContact N-O 2.84Å; M166-P168 WeakPolarHBondContact O-CD 3.37Å; M166-V252 HydrophobicContact CG-CG2 3.98Å; M166-V252 HydrophobicContact SD-CG2 4.11Å; M166-D325 WeakPolarHBondContact CB-O 3.47Å; M166-D325 WeakPolarHBondContact CG-O 3.43Å; M166-D325 PolarHBondContact N-O 3.42Å; M166-D325 VanDerWaalsContact N-O 3.09Å; M166-D325 HydrophobicContact SD-CB 3.91Å; M166-Y326 HydrophobicContact CB-CD1 3.57Å; M166-Y326 HydrophobicContact CB-CE1 3.71Å; M166-Y326 HydrophobicContact CB-CG 4.35Å; M166-Y326 HydrophobicContact CE-CE1 4.2Å; M166-Y326 HydrophobicContact SD-CE1 4.4Å
167	N	93.2	Very high	91.2	Very high	36 Å²	36	25.8 Å²	25.8	19%	0.193	13%	0.131	C	C	.	.			trans	-77.5	119.2	178.2	-164.9	-13.2	0	0	0	109	R151 A153 Y155 R165 F169 N171	R151-N167 PolarHBondContact O-ND2 3.12Å; A153-N167 PolarHBondContact O-ND2 3.1Å; Y155-N167 HydrophobicContact CD1-CB 3.96Å; Y155-N167 HydrophobicContact CE1-CB 4.19Å; R165-N167 PolarHBondContact O-N 2.83Å; N167-F169 VanDerWaalsContact C-N 3.25Å; N167-F169 PolarHBondContact O-N 3.33Å; N167-F169 WeakPolarHBondContact OD1-CD2 3.48Å; N167-F169 PolarHBondContact OD1-N 3.46Å; N167-F169 VanDerWaalsContact OD1-N 3.15Å; N167-N171 PolarHBondContact ND2-ND2 3.22Å
168	P	95.3	Very high	91.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.14	C	C	.	.			trans	-78.9	-8	179	34	-37.9	0	0	0	113.2	M166 V299 A300 F303 Y326 I463 L466	M166-P168 WeakPolarHBondContact O-CD 3.37Å; P168-V299 CarbonylContact O-C 3.23Å; P168-V299 WeakPolarHBondContact O-CA 3.37Å; P168-V299 WeakPolarHBondContact O-CB 3.29Å; P168-A300 PolarHBondContact O-N 3.3Å; P168-F303 HydrophobicContact CB-CD2 3.49Å; P168-F303 VanDerWaalsContact CB-CD2 3.49Å; P168-F303 HydrophobicContact CB-CE2 3.67Å; P168-F303 HydrophobicContact CB-CG 3.98Å; P168-F303 HydrophobicContact CB-CZ 4.34Å; P168-Y326 HydrophobicContact CB-CD1 4.42Å; P168-I463 HydrophobicContact CB-CD1 4.18Å; P168-I463 HydrophobicContact CG-CD1 3.93Å; P168-L466 HydrophobicContact CB-CD1 3.6Å; P168-L466 HydrophobicContact CG-CD1 3.35Å
169	F	95.9	Very high	91.5	Very high	9 Å²	9	30 Å²	30	4%	0.039	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-97.9	142.8	-176.4	-62.9	-79.1	0	0	0	112.2	G154 N167 N171 N195 M292 V297 Y330 L466	G154-F169 WeakPolarHBondContact O-CE2 3.22Å; N167-F169 VanDerWaalsContact C-N 3.25Å; N167-F169 PolarHBondContact O-N 3.33Å; N167-F169 WeakPolarHBondContact OD1-CD2 3.48Å; N167-F169 PolarHBondContact OD1-N 3.46Å; N167-F169 VanDerWaalsContact OD1-N 3.15Å; F169-N171 WeakPolarHBondContact CB-OD1 3.25Å; F169-N171 PolarHBondContact O-N 2.85Å; F169-N195 HydrophobicContact CD1-CB 4.34Å; F169-M292 HydrophobicContact CB-CE 4.46Å; F169-M292 HydrophobicContact CD1-CE 4.05Å; F169-M292 HydrophobicContact CD2-CE 3.74Å; F169-M292 HydrophobicContact CE1-CE 4.18Å; F169-M292 HydrophobicContact CE2-CE 3.9Å; F169-M292 HydrophobicContact CG-CE 3.82Å; F169-M292 HydrophobicContact CZ-CE 4.1Å; F169-V297 HydrophobicContact CD1-CB 4.35Å; F169-V297 HydrophobicContact CE1-CB 3.92Å; F169-V297 HydrophobicContact CE1-CG1 4.14Å; F169-V297 HydrophobicContact CE1-CG2 4.13Å; F169-Y330 AromaticContact CE2-CD2 3.57Å; F169-Y330 HydrophobicContact CE2-CD2 3.57Å; F169-Y330 HydrophobicContact CE2-CE2 4.24Å; F169-Y330 HydrophobicContact CE2-CG 4.1Å; F169-Y330 AromaticContact CZ-CD2 3.52Å; F169-Y330 HydrophobicContact CZ-CD2 3.52Å; F169-Y330 AromaticContact CZ-CE2 3.75Å; F169-Y330 HydrophobicContact CZ-CE2 3.75Å; F169-Y330 HydrophobicContact CZ-CG 4.15Å; F169-L466 HydrophobicContact CE1-CD1 4.25Å; F169-L466 HydrophobicContact CE1-CD2 3.69Å; F169-L466 HydrophobicContact CE2-CD1 4.11Å; F169-L466 HydrophobicContact CZ-CD1 3.8Å; F169-L466 HydrophobicContact CZ-CD2 3.54Å; F169-L466 HydrophobicContact CZ-CG 4.35Å
170	N	94.6	Very high	91.6	Very high	21 Å²	21	35 Å²	35	11%	0.112	17%	0.174	C	C	.	.			trans	-89.8	99	161.6	169.3	4	0	0	0	108.2	E125 D172 F173 N195 N298 A300	E125-N170 WeakPolarHBondContact CG-ND2 3.5Å; E125-N170 WeakPolarHBondContact OE1-CB 3.44Å; E125-N170 PolarHBondContact OE1-ND2 3.41Å; E125-N170 VanDerWaalsContact OE1-ND2 3.12Å; N170-D172 VanDerWaalsContact C-N 3.32Å; N170-D172 PolarHBondContact OD1-N 3.38Å; N170-F173 PolarHBondContact OD1-N 2.84Å; N170-N195 PolarHBondContact O-ND2 2.9Å; N170-N298 WeakPolarHBondContact CB-OD1 3.47Å; N170-N298 PolarHBondContact N-O 2.99Å; N170-A300 HydrophobicContact CB-CB 4.43Å
171	N	95.1	Very high	91.6	Very high	5 Å²	5	36 Å²	36	3%	0.027	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	12.9	-179	-71.7	-27.2	0	0	0	113.6	N146 G150 R151 A153 N167 F169 P193 N195	N146-N171 PolarHBondContact ND2-O 2.95Å; G150-N171 PolarHBondContact O-ND2 3.41Å; R151-N171 WeakPolarHBondContact O-CB 3.24Å; R151-N171 PolarHBondContact O-ND2 3.14Å; A153-N171 PolarHBondContact O-ND2 2.92Å; N167-N171 PolarHBondContact ND2-ND2 3.22Å; F169-N171 WeakPolarHBondContact CB-OD1 3.25Å; F169-N171 PolarHBondContact O-N 2.85Å; N171-P193 HydrophobicContact CB-CB 4.18Å; N171-P193 HydrophobicContact CB-CG 4.25Å; N171-P193 VanDerWaalsContact O-CB 3.22Å; N171-P193 WeakPolarHBondContact O-CB 3.47Å; N171-P193 WeakPolarHBondContact O-CG 3.28Å; N171-N195 WeakPolarHBondContact OD1-CB 2.97Å; N171-N195 PolarHBondContact OD1-ND2 3.31Å; N171-N195 VanDerWaalsContact OD1-ND2 3.13Å
172	D	92.4	Very high	92	Very high	81 Å²	81	43.2 Å²	43.2	43%	0.433	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-0.2	166.6	-67.4	-47.6	0	0	0	111.8	N146 R151 N170 Y174	N146-D172 PolarHBondContact ND2-OD1 3.26Å; R151-D172 IonicContact NE-OD1 2.64Å; R151-D172 PolarHBondContact NE-OD1 3.03Å; N170-D172 VanDerWaalsContact C-N 3.32Å; N170-D172 PolarHBondContact OD1-N 3.38Å; D172-Y174 VanDerWaalsContact O-CD2 3.23Å; D172-Y174 WeakPolarHBondContact O-CD2 3.13Å; D172-Y174 WeakPolarHBondContact O-CE2 3.22Å
173	F	94.8	Very high	92.5	Very high	12 Å²	12	43.8 Å²	43.8	5%	0.053	21%	0.21	C	C	.	.			trans	-80.3	130.9	170.2	178.9	-108.4	0	0	0	112.7	L116 D123 N170 N175 W194 N298	L116-F173 HydrophobicContact CD1-CE2 4.2Å; L116-F173 HydrophobicContact CD1-CZ 4.35Å; D123-F173 HydrophobicContact CB-CD2 4.18Å; D123-F173 HydrophobicContact CB-CE2 3.96Å; D123-F173 VanDerWaalsContact OD1-CD2 3.3Å; D123-F173 WeakPolarHBondContact OD1-CD2 3.4Å; D123-F173 WeakPolarHBondContact OD1-CE2 3.46Å; N170-F173 PolarHBondContact OD1-N 2.84Å; F173-N175 HydrophobicContact CD1-CB 4.32Å; F173-N175 HydrophobicContact CE1-CB 3.49Å; F173-N175 VanDerWaalsContact CE1-CB 3.49Å; F173-N175 HydrophobicContact CE2-CB 4.44Å; F173-N175 HydrophobicContact CZ-CB 3.56Å; F173-W194 HydrophobicContact CD1-CB 3.64Å; F173-W194 AromaticContact CD1-CD1 3.72Å; F173-W194 AromaticContact CD1-CG 3.88Å; F173-W194 HydrophobicContact CD1-CG 3.88Å; F173-W194 HydrophobicContact CE1-CB 4.03Å; F173-W194 AromaticContact CE1-CD1 3.57Å; F173-W194 AromaticContact CE1-CG 3.81Å; F173-W194 HydrophobicContact CE1-CG 3.81Å; F173-W194 VanDerWaalsContact O-CB 3.25Å; F173-W194 WeakPolarHBondContact O-CB 3.47Å; F173-W194 PolarHBondContact O-N 2.98Å; F173-N298 HydrophobicContact CB-CB 4.26Å; F173-N298 HydrophobicContact CD1-CB 3.31Å; F173-N298 HydrophobicContact CE1-CB 3.79Å; F173-N298 HydrophobicContact CG-CB 3.94Å
174	Y	94.9	Very high	92.9	Very high	23 Å²	23	45.8 Å²	45.8	9%	0.09	23%	0.225	C	C	.	.			trans	-117	-8.8	-179	-60.8	-78.4	0	0	0	114.9	N146 D172 G176 R177 R191 L192	N146-Y174 VanDerWaalsContact CB-OH 3.23Å; N146-Y174 WeakPolarHBondContact CB-OH 3.23Å; D172-Y174 VanDerWaalsContact O-CD2 3.23Å; D172-Y174 WeakPolarHBondContact O-CD2 3.13Å; D172-Y174 WeakPolarHBondContact O-CE2 3.22Å; Y174-G176 PolarHBondContact O-N 3.32Å; Y174-R177 PolarHBondContact O-N 3.2Å; Y174-R191 HydrophobicContact CD1-CG 3.74Å; Y174-R191 HydrophobicContact CE1-CB 4Å; Y174-R191 HydrophobicContact CE1-CG 3.52Å; Y174-L192 WeakPolarHBondContact CD1-O 3.31Å
175	N	94.3	Very high	92.6	Very high	14 Å²	14	47.9 Å²	47.9	8%	0.075	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	32.7	178.8	-160.3	11.5	0	0	0	112.7	R115 L116 D123 F173 R177 W194	R115-N175 PolarHBondContact NH1-O 2.86Å; R115-N175 PolarHBondContact NH2-O 3.34Å; R115-N175 PolarHBondContact NH2-OD1 3.32Å; L116-N175 VanDerWaalsContact CD2-C 3.43Å; D123-N175 PolarHBondContact OD1-N 2.82Å; F173-N175 HydrophobicContact CD1-CB 4.32Å; F173-N175 HydrophobicContact CE1-CB 3.49Å; F173-N175 VanDerWaalsContact CE1-CB 3.49Å; F173-N175 HydrophobicContact CE2-CB 4.44Å; F173-N175 HydrophobicContact CZ-CB 3.56Å; N175-R177 VanDerWaalsContact C-N 3.27Å; N175-R177 PolarHBondContact O-N 3.27Å; N175-W194 HydrophobicContact CB-CB 4.13Å; N175-W194 HydrophobicContact CB-CD2 3.65Å; N175-W194 HydrophobicContact CB-CE3 3.75Å; N175-W194 HydrophobicContact CB-CG 3.81Å; N175-W194 HydrophobicContact CB-CZ3 4.47Å; N175-W194 VanDerWaalsContact ND2-CE2 3.29Å; N175-W194 WeakPolarHBondContact ND2-CH2 3.42Å; N175-W194 VanDerWaalsContact ND2-CZ2 3.3Å; N175-W194 WeakPolarHBondContact ND2-CZ2 3.25Å
176	G	92.8	Very high	92.4	Very high	21 Å²	21	49.9 Å²	49.9	22%	0.216	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	23.8	-175.9	0	0	0	0	0	114.8	L116 Y174	L116-G176 VanDerWaalsContact CD2-N 3.34Å; Y174-G176 PolarHBondContact O-N 3.32Å
177	R	93.6	Very high	92.3	Very high	119 Å²	119	49.4 Å²	49.4	45%	0.449	26%	0.255	S	S	.	.			trans	-107.2	144	175.4	-62.6	-165.1	-177.1	-161.4	4	111.6	Y174 N175 R191	Y174-R177 PolarHBondContact O-N 3.2Å; N175-R177 VanDerWaalsContact C-N 3.27Å; N175-R177 PolarHBondContact O-N 3.27Å; R177-R191 PolarHBondContact O-NE 2.89Å; R177-R191 PolarHBondContact O-NH2 2.79Å
178	C	94.3	Very high	92.2	Very high	28 Å²	28	54.9 Å²	54.9	19%	0.189	28%	0.277	C	S	.	.			trans	-111.1	61.7	174.4	-167.9	0	0	0	0	110.9	P138 C139 R180	P138-C178 WeakPolarHBondContact O-CB 3.35Å; C139-C178 WeakPolarHBondContact CA-SG 3.43Å; C139-C178 HydrophobicContact CB-CB 3.97Å; C139-C178 WeakPolarHBondContact CB-SG 3.22Å; C139-C178 WeakPolarHBondContact SG-CB 3.4Å; C139-C178 CovalentContact SG-SG 2.03Å; C139-C178 PolarHBondContact SG-SG 3.38Å; C178-R180 PolarHBondContact SG-NE 3.09Å; C178-R180 VanDerWaalsContact SG-NE 3.42Å
179	N	94.6	Very high	92	Very high	60 Å²	60	60.7 Å²	60.7	32%	0.321	30%	0.3	S	S	.	.			trans	-73.5	131.6	173.4	-71	-21.5	0	0	0	109	R191 L192	N179-R191 WeakPolarHBondContact O-CA 3.34Å; N179-L192 HydrophobicContact CB-CB 4.1Å; N179-L192 PolarHBondContact O-N 3.48Å
180	R	93.4	Very high	91.9	Very high	115 Å²	115	61.3 Å²	61.3	43%	0.434	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	140	-174	-52.5	179.6	-173.9	-169.8	-8.8	110.3	C139 L144 C178 Y189 D190	C139-R180 PolarHBondContact O-NH2 3.28Å; L144-R180 HydrophobicContact CD1-CG 3.75Å; L144-R180 VanDerWaalsContact CD1-NE 3.34Å; C178-R180 PolarHBondContact SG-NE 3.09Å; C178-R180 VanDerWaalsContact SG-NE 3.42Å; R180-Y189 HydrophobicContact CB-CD1 3.89Å; R180-D190 CarbonylContact C-O 3.57Å; R180-D190 WeakPolarHBondContact CA-O 3.44Å
181	V	93	Very high	91.9	Very high	21 Å²	21	60.8 Å²	60.8	13%	0.127	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.8	168	64	0	0	0	0	108.4	Y189 D190 L192 L199 Y201	V181-Y189 CarbonylContact O-C 3.48Å; V181-Y189 VanDerWaalsContact O-CA 3.31Å; V181-Y189 WeakPolarHBondContact O-CA 3.45Å; V181-D190 HydrophobicContact CG1-CB 3.98Å; V181-D190 PolarHBondContact N-O 3.5Å; V181-D190 PolarHBondContact O-N 3.45Å; V181-L192 HydrophobicContact CB-CD1 4.12Å; V181-L192 HydrophobicContact CB-CD2 4.08Å; V181-L192 HydrophobicContact CB-CG 4.07Å; V181-L192 HydrophobicContact CG1-CD1 4.5Å; V181-L192 HydrophobicContact CG1-CD2 3.6Å; V181-L192 HydrophobicContact CG1-CG 3.93Å; V181-L199 HydrophobicContact CG1-CD2 4.34Å; V181-Y201 HydrophobicContact CG1-CE2 3.91Å; V181-Y201 HydrophobicContact CG2-CD2 3.9Å; V181-Y201 HydrophobicContact CG2-CE2 3.92Å
182	R	92.3	Very high	92	Very high	153 Å²	153	61.5 Å²	61.5	58%	0.577	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	121.1	177.3	-168.2	174	179	-128.2	1	109.3	P184 G187 Y189 Y201	R182-P184 WeakPolarHBondContact O-CD 3.21Å; R182-G187 PolarHBondContact NE-O 3.43Å; R182-Y189 HydrophobicContact CB-CD1 3.94Å; R182-Y189 HydrophobicContact CB-CE1 3.69Å; R182-Y189 HydrophobicContact CG-CD1 4.43Å; R182-Y189 HydrophobicContact CG-CE1 4.16Å; R182-Y201 WeakPolarHBondContact O-CD2 3.46Å
183	N	89.3	Confident	92.1	Very high	14 Å²	14	57.7 Å²	57.7	8%	0.075	28%	0.283	C	S	.	.			trans	-73.4	118.1	171.7	-171.1	-39.7	0	0	0	109.4	N185 T186 G187 K188 D190 Y201	N183-N185 PolarHBondContact O-N 3.28Å; N183-N185 WeakPolarHBondContact OD1-CB 3.43Å; N183-N185 PolarHBondContact OD1-N 2.93Å; N183-T186 WeakPolarHBondContact CB-OG1 3.33Å; N183-T186 PolarHBondContact OD1-N 3.28Å; N183-G187 VanDerWaalsContact O-CA 3.22Å; N183-G187 WeakPolarHBondContact O-CA 3.48Å; N183-G187 PolarHBondContact O-N 3.48Å; N183-K188 PolarHBondContact N-O 2.93Å; N183-D190 WeakPolarHBondContact CB-OD2 3.35Å; N183-Y201 HydrophobicContact CB-CD2 4.46Å; N183-Y201 HydrophobicContact CB-CE2 3.83Å; N183-Y201 PolarHBondContact ND2-OH 2.89Å
184	P	87.6	Confident	92.2	Very high	80 Å²	80	58 Å²	58	52%	0.519	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-24.2	-178.3	28.5	-34.3	0	0	0	112.7	R182 Y201	R182-P184 WeakPolarHBondContact O-CD 3.21Å; P184-Y201 VanDerWaalsContact CD-CG 3.5Å; P184-Y201 HydrophobicContact CG-CG 4.27Å
185	N	81.3	Confident	92.3	Very high	109 Å²	109	57 Å²	57	58%	0.583	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-40.2	-177.3	-61.8	-37.2	0	0	0	112	N183	N183-N185 PolarHBondContact O-N 3.28Å; N183-N185 WeakPolarHBondContact OD1-CB 3.43Å; N183-N185 PolarHBondContact OD1-N 2.93Å
186	T	86.2	Confident	92.5	Very high	84 Å²	84	56.3 Å²	56.3	52%	0.515	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-17.2	-178.5	66.2	0	0	0	0	113	N183 K188	N183-T186 WeakPolarHBondContact CB-OG1 3.33Å; N183-T186 PolarHBondContact OD1-N 3.28Å; T186-K188 PolarHBondContact O-N 3.26Å; T186-K188 PolarHBondContact OG1-N 3.33Å
187	G	88.8	Confident	92.6	Very high	32 Å²	32	56.8 Å²	56.8	33%	0.33	28%	0.282	S	S	.	.			trans	72	-4.6	-173.2	0	0	0	0	0	114.5	R182 N183	R182-G187 PolarHBondContact NE-O 3.43Å; N183-G187 VanDerWaalsContact O-CA 3.22Å; N183-G187 WeakPolarHBondContact O-CA 3.48Å; N183-G187 PolarHBondContact O-N 3.48Å
188	K	90.9	Very high	92.6	Very high	151 Å²	151	54.4 Å²	54.4	66%	0.657	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-78.8	159.8	178.5	-63.6	-174.1	178.6	-177.1	0	111.3	N183 T186	N183-K188 PolarHBondContact N-O 2.93Å; T186-K188 PolarHBondContact O-N 3.26Å; T186-K188 PolarHBondContact OG1-N 3.33Å
189	Y	93	Very high	92.7	Very high	123 Å²	123	53.4 Å²	53.4	48%	0.482	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.3	170.9	-74.2	-86	0	0	0	109.1	R180 V181 R182	R180-Y189 HydrophobicContact CB-CD1 3.89Å; V181-Y189 CarbonylContact O-C 3.48Å; V181-Y189 VanDerWaalsContact O-CA 3.31Å; V181-Y189 WeakPolarHBondContact O-CA 3.45Å; R182-Y189 HydrophobicContact CB-CD1 3.94Å; R182-Y189 HydrophobicContact CB-CE1 3.69Å; R182-Y189 HydrophobicContact CG-CD1 4.43Å; R182-Y189 HydrophobicContact CG-CE1 4.16Å
190	D	93.8	Very high	92.7	Very high	21 Å²	21	54.9 Å²	54.9	11%	0.112	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	148	170.7	-43.8	-59.3	0	0	0	109	D145 N147 R180 V181 N183 Y201	D145-D190 WeakPolarHBondContact O-CA 3.03Å; N147-D190 HydrophobicContact CB-CB 4.13Å; R180-D190 CarbonylContact C-O 3.57Å; R180-D190 WeakPolarHBondContact CA-O 3.44Å; V181-D190 HydrophobicContact CG1-CB 3.98Å; V181-D190 PolarHBondContact N-O 3.5Å; V181-D190 PolarHBondContact O-N 3.45Å; N183-D190 WeakPolarHBondContact CB-OD2 3.35Å; D190-Y201 PolarHBondContact OD2-OH 3.25Å
191	R	94.8	Very high	92.7	Very high	10 Å²	10	51.1 Å²	51.1	4%	0.038	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	127.5	175.9	-164.9	179.7	179.3	175.3	-2.5	109.6	D121 L144 D145 N146 Y174 R177 N179	D121-R191 VanDerWaalsContact CG-NH1 3.27Å; D121-R191 IonicContact OD1-CZ 3.82Å; D121-R191 IonicContact OD1-NH1 2.73Å; D121-R191 PolarHBondContact OD1-NH1 3.01Å; D121-R191 IonicContact OD1-NH2 2.73Å; D121-R191 IonicContact OD2-CZ 2.74Å; D121-R191 VanDerWaalsContact OD2-CZ 3.24Å; D121-R191 IonicContact OD2-NH1 3.88Å; D121-R191 PolarHBondContact OD2-NH1 2.83Å; D121-R191 VanDerWaalsContact OD2-NH1 3.08Å; D121-R191 IonicContact OD2-NH2 3.75Å; D121-R191 PolarHBondContact OD2-NH2 3.38Å; L144-R191 HydrophobicContact CB-CB 3.95Å; L144-R191 WeakPolarHBondContact O-CB 3.38Å; D145-R191 PolarHBondContact O-N 3.22Å; N146-R191 PolarHBondContact OD1-O 3Å; Y174-R191 HydrophobicContact CD1-CG 3.74Å; Y174-R191 HydrophobicContact CE1-CB 4Å; Y174-R191 HydrophobicContact CE1-CG 3.52Å; R177-R191 PolarHBondContact O-NE 2.89Å; R177-R191 PolarHBondContact O-NH2 2.79Å; N179-R191 WeakPolarHBondContact O-CA 3.34Å
192	L	95.3	Very high	92.5	Very high	21 Å²	21	54.5 Å²	54.5	11%	0.11	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-84.4	128.7	179.3	-70.2	177.3	0	0	0	111.3	Y174 N179 V181 L199	Y174-L192 WeakPolarHBondContact CD1-O 3.31Å; N179-L192 HydrophobicContact CB-CB 4.1Å; N179-L192 PolarHBondContact O-N 3.48Å; V181-L192 HydrophobicContact CB-CD1 4.12Å; V181-L192 HydrophobicContact CB-CD2 4.08Å; V181-L192 HydrophobicContact CB-CG 4.07Å; V181-L192 HydrophobicContact CG1-CD1 4.5Å; V181-L192 HydrophobicContact CG1-CD2 3.6Å; V181-L192 HydrophobicContact CG1-CG 3.93Å; L192-L199 HydrophobicContact CD2-CB 3.58Å; L192-L199 HydrophobicContact CD2-CD2 3.72Å; L192-L199 HydrophobicContact CD2-CG 4.27Å
193	P	96.4	Very high	92.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-57.4	153.2	172.9	-28.3	38.4	0	0	0	112.4	N146 N171 N195 V196	N146-P193 VanDerWaalsContact ND2-CG 3.29Å; N146-P193 WeakPolarHBondContact ND2-CG 3.48Å; N146-P193 WeakPolarHBondContact OD1-CD 2.96Å; N146-P193 VanDerWaalsContact OD1-CG 3.3Å; N146-P193 WeakPolarHBondContact OD1-CG 3.27Å; N171-P193 HydrophobicContact CB-CB 4.18Å; N171-P193 HydrophobicContact CB-CG 4.25Å; N171-P193 VanDerWaalsContact O-CB 3.22Å; N171-P193 WeakPolarHBondContact O-CB 3.47Å; N171-P193 WeakPolarHBondContact O-CG 3.28Å; P193-N195 VanDerWaalsContact C-N 3.31Å; P193-N195 PolarHBondContact O-N 2.87Å; P193-V196 HydrophobicContact CB-CB 4.41Å; P193-V196 HydrophobicContact CB-CG2 4.09Å; P193-V196 HydrophobicContact CG-CG2 4.19Å; P193-V196 PolarHBondContact O-N 2.81Å
194	W	96.1	Very high	92.1	Very high	20 Å²	20	52 Å²	52	8%	0.076	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-45.8	177.7	172.3	-110.5	0	0	0	111.9	F173 N175 V196 R293 D296	F173-W194 HydrophobicContact CD1-CB 3.64Å; F173-W194 AromaticContact CD1-CD1 3.72Å; F173-W194 AromaticContact CD1-CG 3.88Å; F173-W194 HydrophobicContact CD1-CG 3.88Å; F173-W194 HydrophobicContact CE1-CB 4.03Å; F173-W194 AromaticContact CE1-CD1 3.57Å; F173-W194 AromaticContact CE1-CG 3.81Å; F173-W194 HydrophobicContact CE1-CG 3.81Å; F173-W194 VanDerWaalsContact O-CB 3.25Å; F173-W194 WeakPolarHBondContact O-CB 3.47Å; F173-W194 PolarHBondContact O-N 2.98Å; N175-W194 HydrophobicContact CB-CB 4.13Å; N175-W194 HydrophobicContact CB-CD2 3.65Å; N175-W194 HydrophobicContact CB-CE3 3.75Å; N175-W194 HydrophobicContact CB-CG 3.81Å; N175-W194 HydrophobicContact CB-CZ3 4.47Å; N175-W194 VanDerWaalsContact ND2-CE2 3.29Å; N175-W194 WeakPolarHBondContact ND2-CH2 3.42Å; N175-W194 VanDerWaalsContact ND2-CZ2 3.3Å; N175-W194 WeakPolarHBondContact ND2-CZ2 3.25Å; W194-V196 PolarHBondContact O-N 2.89Å; W194-R293 WeakPolarHBondContact O-CD 3.28Å; W194-R293 PolarHBondContact O-NE 2.85Å; W194-D296 HydrophobicContact CZ2-CB 4.46Å; W194-D296 PolarHBondContact NE1-O 3.31Å
195	N	97.2	Very high	91.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-27	-177	-63.6	-30.7	0	0	0	113.5	F169 N170 N171 P193 G197 M292 R293 N298	F169-N195 HydrophobicContact CD1-CB 4.34Å; N170-N195 PolarHBondContact O-ND2 2.9Å; N171-N195 WeakPolarHBondContact OD1-CB 2.97Å; N171-N195 PolarHBondContact OD1-ND2 3.31Å; N171-N195 VanDerWaalsContact OD1-ND2 3.13Å; P193-N195 VanDerWaalsContact C-N 3.31Å; P193-N195 PolarHBondContact O-N 2.87Å; N195-G197 PolarHBondContact O-N 3.47Å; N195-M292 HydrophobicContact CB-CE 3.67Å; N195-M292 CarbonylContact O-C 3.6Å; N195-M292 WeakPolarHBondContact O-CA 3.08Å; N195-R293 PolarHBondContact O-N 2.65Å; N195-N298 PolarHBondContact ND2-O 2.86Å; N195-N298 PolarHBondContact OD1-N 3.36Å; N195-N298 PolarHBondContact OD1-O 2.84Å
196	V	97.3	Very high	91.8	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	101.6	179.2	-178.3	0	0	0	0	108.3	A153 P193 W194 L199 M292	A153-V196 HydrophobicContact CB-CG2 3.73Å; P193-V196 HydrophobicContact CB-CB 4.41Å; P193-V196 HydrophobicContact CB-CG2 4.09Å; P193-V196 HydrophobicContact CG-CG2 4.19Å; P193-V196 PolarHBondContact O-N 2.81Å; W194-V196 PolarHBondContact O-N 2.89Å; V196-L199 HydrophobicContact CG1-CB 4.01Å; V196-M292 HydrophobicContact CG2-SD 4.17Å
197	G	94.7	Very high	91.3	Very high	31 Å²	31	49.6 Å²	49.6	32%	0.32	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	-39.3	179.9	0	0	0	0	0	112.6	N195 R291	N195-G197 PolarHBondContact O-N 3.47Å; G197-R291 WeakPolarHBondContact CA-O 3.37Å; G197-R291 PolarHBondContact N-O 2.73Å
198	V	95	Very high	90.4	Very high	69 Å²	69	52.1 Å²	52.1	42%	0.418	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	137.2	177.9	-177.9	0	0	0	0	109.1	Y290 R291	V198-Y290 CarbonylContact O-C 3.54Å; V198-Y290 VanDerWaalsContact O-CA 3.28Å; V198-Y290 WeakPolarHBondContact O-CA 3.44Å; V198-R291 HydrophobicContact CB-CB 4.37Å; V198-R291 PolarHBondContact N-O 2.95Å; V198-R291 VanDerWaalsContact N-O 3.09Å; V198-R291 PolarHBondContact O-N 2.65Å
199	L	96.1	Very high	89.3	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	125.9	167.4	-179.7	73.5	0	0	0	108.7	N147 Q149 V181 L192 V196 T289	N147-L199 WeakPolarHBondContact ND2-CD2 3.11Å; Q149-L199 HydrophobicContact CB-CD1 4.22Å; Q149-L199 HydrophobicContact CB-CD2 4.46Å; V181-L199 HydrophobicContact CG1-CD2 4.34Å; L192-L199 HydrophobicContact CD2-CB 3.58Å; L192-L199 HydrophobicContact CD2-CD2 3.72Å; L192-L199 HydrophobicContact CD2-CG 4.27Å; V196-L199 HydrophobicContact CG1-CB 4.01Å; L199-T289 WeakPolarHBondContact CA-O 3.46Å
200	N	95.1	Very high	88	Confident	91 Å²	91	41.3 Å²	41.3	49%	0.487	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.5	176.4	-64.9	-30.9	0	0	0	109.5	E202 S288 T289	N200-E202 PolarHBondContact O-N 2.96Å; N200-S288 CarbonylContact O-C 3.42Å; N200-S288 WeakPolarHBondContact O-CA 3.35Å; N200-S288 WeakPolarHBondContact O-CB 3.3Å; N200-T289 PolarHBondContact N-O 3.15Å; N200-T289 PolarHBondContact O-N 2.74Å
201	Y	92.9	Very high	86.3	Confident	36 Å²	36	51.3 Å²	51.3	14%	0.141	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	117.3	167.4	-71.1	-70	0	0	0	109.7	N147 V181 R182 N183 P184 D190	N147-Y201 PolarHBondContact ND2-OH 2.73Å; V181-Y201 HydrophobicContact CG1-CE2 3.91Å; V181-Y201 HydrophobicContact CG2-CD2 3.9Å; V181-Y201 HydrophobicContact CG2-CE2 3.92Å; R182-Y201 WeakPolarHBondContact O-CD2 3.46Å; N183-Y201 HydrophobicContact CB-CD2 4.46Å; N183-Y201 HydrophobicContact CB-CE2 3.83Å; N183-Y201 PolarHBondContact ND2-OH 2.89Å; P184-Y201 VanDerWaalsContact CD-CG 3.5Å; P184-Y201 HydrophobicContact CG-CG 4.27Å; D190-Y201 PolarHBondContact OD2-OH 3.25Å
202	E	88.2	Confident	84.8	Confident	93 Å²	93	57.9 Å²	57.9	44%	0.435	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	101.1	-178	-167.6	-166.9	-176.5	0	0	108.4	N200 V204 Q286 L287	N200-E202 PolarHBondContact O-N 2.96Å; E202-V204 HydrophobicContact CG-CG2 3.95Å; E202-V204 PolarHBondContact O-N 3.39Å; E202-Q286 CarbonylContact O-C 3.24Å; E202-Q286 PolarHBondContact O-NE2 2.95Å; E202-Q286 PolarHBondContact OE2-NE2 2.95Å; E202-L287 CarbonylContact C-O 3.42Å; E202-L287 PolarHBondContact N-O 3.46Å; E202-L287 CarbonylContact O-C 3.57Å; E202-L287 VanDerWaalsContact O-C 3.27Å
203	T	86	Confident	83.7	Confident	71 Å²	71	58 Å²	58	44%	0.436	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	104.3	-179.8	-51.7	0	0	0	0	110.5	I205 Q286 L287	T203-I205 HydrophobicContact CG2-CG1 4.49Å; T203-Q286 CarbonylContact C-O 3.58Å; T203-Q286 VanDerWaalsContact CA-O 3.23Å; T203-Q286 WeakPolarHBondContact CA-O 3.48Å; T203-L287 HydrophobicContact CG2-CD2 4.19Å
204	V	86.9	Confident	82.6	Confident	44 Å²	44	59.2 Å²	59.2	27%	0.267	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.1	177.2	-178.3	0	0	0	0	108.3	E202 E206 Q286	E202-V204 HydrophobicContact CG-CG2 3.95Å; E202-V204 PolarHBondContact O-N 3.39Å; V204-E206 HydrophobicContact CG1-CG 4.23Å; V204-Q286 HydrophobicContact CB-CB 4.14Å; V204-Q286 PolarHBondContact N-O 3.02Å; V204-Q286 WeakPolarHBondContact O-CB 3.46Å; V204-Q286 PolarHBondContact O-N 3.2Å
205	I	82.2	Confident	81.4	Confident	90 Å²	90	63.1 Å²	63.1	46%	0.462	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125	-179.5	-56.7	173.1	0	0	0	108.5	T203 V285	T203-I205 HydrophobicContact CG2-CG1 4.49Å; I205-V285 HydrophobicContact CG1-CG1 4.35Å; I205-V285 HydrophobicContact CG1-CG2 4.5Å; I205-V285 HydrophobicContact CG2-CG2 4.43Å
206	E	81.8	Confident	80.3	Confident	110 Å²	110	63.9 Å²	63.9	51%	0.514	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.4	177.4	-67	178.3	175.1	0	0	109	V204 G283 K284	V204-E206 HydrophobicContact CG1-CG 4.23Å; E206-G283 CarbonylContact O-C 3.55Å; E206-K284 PolarHBondContact N-O 3.09Å; E206-K284 PolarHBondContact O-N 2.85Å; E206-K284 VanDerWaalsContact O-O 3.13Å
207	E	74.3	Confident	79.5	Confident	21 Å²	21	64.1 Å²	64.1	10%	0.098	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	122.7	174.4	-168	-167.1	179.2	0	0	107.5	Y340 V367 I369	E207-Y340 WeakPolarHBondContact CG-OH 3.16Å; E207-Y340 PolarHBondContact OE1-OH 3.16Å; E207-V367 PolarHBondContact OE1-N 3.34Å; E207-I369 HydrophobicContact CB-CD1 3.27Å; E207-I369 HydrophobicContact CB-CG1 3.56Å; E207-I369 WeakPolarHBondContact OE2-CG1 3.41Å; E207-I369 PolarHBondContact OE2-N 3.08Å; E207-I369 VanDerWaalsContact OE2-N 3.15Å
208	T	71.6	Confident	79.1	Confident	85 Å²	85	64.8 Å²	64.8	52%	0.521	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.6	179.8	58.1	0	0	0	0	109.2	K282	T208-K282 PolarHBondContact N-O 2.96Å; T208-K282 PolarHBondContact O-N 3.03Å; T208-K282 VanDerWaalsContact O-O 3.08Å
209	V	67.6	Low	78.6	Confident	31 Å²	31	64 Å²	64	19%	0.188	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	134.2	169.4	176.7	0	0	0	0	106.2	R211 M279 V281 Q362 K366	V209-R211 PolarHBondContact O-N 3.35Å; V209-R211 VanDerWaalsContact O-N 3.15Å; V209-M279 HydrophobicContact CG1-SD 4.46Å; V209-V281 HydrophobicContact CG1-CG2 4.16Å; V209-V281 HydrophobicContact CG2-CG1 4.1Å; V209-V281 HydrophobicContact CG2-CG2 4.17Å; V209-Q362 HydrophobicContact CG1-CB 4.28Å; V209-Q362 HydrophobicContact CG1-CG 4.04Å; V209-K366 HydrophobicContact CG2-CB 4.37Å; V209-K366 HydrophobicContact CG2-CG 4.41Å
210	S	64.6	Low	78.2	Confident	17 Å²	17	63.7 Å²	63.7	12%	0.119	32%	0.315	C	S	.	.			trans	-55.9	123.9	176.8	69	0	0	0	0	109	E212 R280 Q362	S210-E212 WeakPolarHBondContact CB-O 3.21Å; S210-E212 PolarHBondContact O-N 3.48Å; S210-E212 PolarHBondContact OG-O 2.92Å; S210-R280 WeakPolarHBondContact CB-O 3.03Å; S210-R280 PolarHBondContact N-O 3.5Å; S210-R280 PolarHBondContact OG-N 2.91Å; S210-R280 VanDerWaalsContact OG-N 3.11Å; S210-R280 PolarHBondContact OG-O 3.25Å; S210-Q362 PolarHBondContact O-NE2 3.04Å
211	R	58.8	Low	77.9	Confident	230 Å²	230	59.4 Å²	59.4	87%	0.868	29%	0.293	S	S	*	.	S	Bend	trans	-68.3	-25.7	178.6	-72.3	-178.8	171	172.5	-1.7	111.5	V209 Q362	V209-R211 PolarHBondContact O-N 3.35Å; V209-R211 VanDerWaalsContact O-N 3.15Å; R211-Q362 VanDerWaalsContact C-NE2 3.27Å; R211-Q362 PolarHBondContact O-NE2 2.82Å
212	E	62.6	Low	77.7	Confident	149 Å²	149	60.9 Å²	60.9	70%	0.696	30%	0.299	S	S	*	.	S	Bend	trans	-109.1	135.4	179.9	-65.4	171.8	-167.1	0	0	108.9	S210	S210-E212 WeakPolarHBondContact CB-O 3.21Å; S210-E212 PolarHBondContact O-N 3.48Å; S210-E212 PolarHBondContact OG-O 2.92Å
213	I	72.5	Confident	77.8	Confident	22 Å²	22	59.8 Å²	59.8	11%	0.113	30%	0.295	C	S	.	.			trans	-80.9	126.2	164.8	-65.8	-170.4	0	0	0	106.2	E215 L346 D358	I213-E215 PolarHBondContact O-N 3.09Å; I213-L346 HydrophobicContact CD1-CD1 4.22Å; I213-D358 HydrophobicContact CD1-CB 3.63Å; I213-D358 WeakPolarHBondContact CD1-OD1 3.27Å; I213-D358 HydrophobicContact CG1-CB 4.08Å
214	Y	74	Confident	78	Confident	26 Å²	26	56.4 Å²	56.4	10%	0.102	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-79.2	117.8	178.6	-56.1	-97.1	0	0	0	108.8	D216 V220 E223 S277 F278 R280	Y214-D216 VanDerWaalsContact C-N 3.26Å; Y214-D216 PolarHBondContact O-N 2.72Å; Y214-V220 HydrophobicContact CD1-CG2 3.84Å; Y214-V220 HydrophobicContact CD2-CG2 3.64Å; Y214-V220 HydrophobicContact CE2-CG2 4.39Å; Y214-V220 HydrophobicContact CG-CB 4.39Å; Y214-V220 HydrophobicContact CG-CG2 3.32Å; Y214-E223 WeakPolarHBondContact CE1-OE2 3.38Å; Y214-E223 VanDerWaalsContact CZ-OE2 3.26Å; Y214-E223 PolarHBondContact OH-OE1 2.73Å; Y214-E223 PolarHBondContact OH-OE2 3.4Å; Y214-S277 CarbonylContact O-C 3.59Å; Y214-S277 VanDerWaalsContact O-CA 3.27Å; Y214-S277 WeakPolarHBondContact O-CA 3.46Å; Y214-S277 WeakPolarHBondContact O-CB 3.14Å; Y214-F278 WeakPolarHBondContact CD2-O 3.13Å; Y214-F278 PolarHBondContact N-O 3.08Å; Y214-F278 PolarHBondContact O-N 3.47Å; Y214-R280 HydrophobicContact CE2-CB 3.97Å
215	E	70.6	Confident	78.2	Confident	102 Å²	102	54.3 Å²	54.3	48%	0.477	26%	0.261	S	S	.	.	S	Bend	trans	-77.7	-13.7	-179.8	-60	-164.3	-174.2	0	0	113.8	I213	I213-E215 PolarHBondContact O-N 3.09Å
216	D	74.8	Confident	78.5	Confident	17 Å²	17	55.5 Å²	55.5	9%	0.091	26%	0.263	C	S	.	.	S	Bend	trans	-137.9	140.5	-179.7	-170.8	93.6	0	0	0	111.3	Y214 H218 S219 K530	Y214-D216 VanDerWaalsContact C-N 3.26Å; Y214-D216 PolarHBondContact O-N 2.72Å; D216-H218 VanDerWaalsContact C-N 3.28Å; D216-H218 PolarHBondContact O-N 3.22Å; D216-H218 WeakPolarHBondContact OD2-CB 3.43Å; D216-H218 IonicContact OD2-CG 3.92Å; D216-H218 PolarHBondContact OD2-N 2.87Å; D216-H218 IonicContact OD2-ND1 3.52Å; D216-H218 PolarHBondContact OD2-ND1 3.44Å; D216-S219 PolarHBondContact O-N 2.8Å; D216-K530 IonicContact OD1-NZ 3.45Å; D216-K530 PolarHBondContact OD1-NZ 2.91Å
217	T	80.1	Confident	78.8	Confident	6 Å²	6	54.3 Å²	54.3	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-58.4	-39	-178.2	-42.6	0	0	0	0	112.8	S219 V220 V221 V267 S271 F278	T217-S219 VanDerWaalsContact C-N 3.26Å; T217-S219 PolarHBondContact O-N 3.31Å; T217-V220 PolarHBondContact O-N 2.76Å; T217-V221 HydrophobicContact CG2-CG2 4.37Å; T217-V221 WeakPolarHBondContact O-CG2 3.31Å; T217-V221 PolarHBondContact O-N 3.01Å; T217-V221 VanDerWaalsContact O-N 3.1Å; T217-V267 HydrophobicContact CG2-CG1 3.64Å; T217-V267 WeakPolarHBondContact CG2-O 3.2Å; T217-S271 VanDerWaalsContact CG2-CB 3.42Å; T217-S271 WeakPolarHBondContact OG1-CA 3.33Å; T217-F278 VanDerWaalsContact CA-CE2 3.42Å; T217-F278 HydrophobicContact CG2-CE1 4.4Å; T217-F278 HydrophobicContact CG2-CE2 3.89Å; T217-F278 HydrophobicContact CG2-CZ 3.57Å; T217-F278 WeakPolarHBondContact OG1-CE2 3.3Å; T217-F278 WeakPolarHBondContact OG1-CZ 3.4Å
218	H	84.9	Confident	79.4	Confident	44 Å²	44	54.2 Å²	54.2	20%	0.204	26%	0.256	C	S	.	.	H	α-helix	trans	-66.7	-29.5	-176.4	-64.9	148.2	0	0	0	112.7	D216 K222 M516 C517	D216-H218 VanDerWaalsContact C-N 3.28Å; D216-H218 PolarHBondContact O-N 3.22Å; D216-H218 WeakPolarHBondContact OD2-CB 3.43Å; D216-H218 IonicContact OD2-CG 3.92Å; D216-H218 PolarHBondContact OD2-N 2.87Å; D216-H218 IonicContact OD2-ND1 3.52Å; D216-H218 PolarHBondContact OD2-ND1 3.44Å; H218-K222 WeakPolarHBondContact O-CB 3.17Å; H218-K222 PolarHBondContact O-N 2.03Å; H218-M516 HydrophobicContact CB-CB 3.76Å; H218-M516 HydrophobicContact CB-CG 4.16Å; H218-C517 WeakPolarHBondContact CB-O 3.39Å; H218-C517 PolarHBondContact CE1-N 2.95Å; H218-C517 PolarHBondContact ND1-N 2.82Å; H218-C517 PolarHBondContact ND1-O 3.15Å
219	S	85.1	Confident	80.1	Confident	53 Å²	53	52.5 Å²	52.5	37%	0.371	25%	0.248	S	C	.	.	H	α-helix	trans	-65.6	-44.4	176.2	-61.9	0	0	0	0	111.4	D216 T217 E223	D216-S219 PolarHBondContact O-N 2.8Å; T217-S219 VanDerWaalsContact C-N 3.26Å; T217-S219 PolarHBondContact O-N 3.31Å; S219-E223 PolarHBondContact O-N 2.89Å; S219-E223 VanDerWaalsContact O-N 3.16Å
220	V	87.3	Confident	80.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-52.5	176	-174	0	0	0	0	110.3	Y214 T217 K222 E223 L224 F278 I343	Y214-V220 HydrophobicContact CD1-CG2 3.84Å; Y214-V220 HydrophobicContact CD2-CG2 3.64Å; Y214-V220 HydrophobicContact CE2-CG2 4.39Å; Y214-V220 HydrophobicContact CG-CB 4.39Å; Y214-V220 HydrophobicContact CG-CG2 3.32Å; T217-V220 PolarHBondContact O-N 2.76Å; V220-K222 VanDerWaalsContact C-N 3.29Å; V220-K222 PolarHBondContact O-N 3.38Å; V220-E223 PolarHBondContact O-N 3.43Å; V220-E223 VanDerWaalsContact O-N 3.09Å; V220-L224 HydrophobicContact CG1-CD1 3.99Å; V220-L224 HydrophobicContact CG1-CG 4.31Å; V220-L224 WeakPolarHBondContact O-CG 3.46Å; V220-L224 PolarHBondContact O-N 3.22Å; V220-F278 HydrophobicContact CG2-CB 3.58Å; V220-F278 HydrophobicContact CG2-CD2 3.95Å; V220-F278 HydrophobicContact CG2-CG 3.84Å; V220-I343 HydrophobicContact CG1-CD1 4.15Å
221	V	89.5	Confident	81.3	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-43.9	-177.5	175.4	0	0	0	0	110.4	T217 E223 L224 L225 I264 V267 I268 M516	T217-V221 HydrophobicContact CG2-CG2 4.37Å; T217-V221 WeakPolarHBondContact O-CG2 3.31Å; T217-V221 PolarHBondContact O-N 3.01Å; T217-V221 VanDerWaalsContact O-N 3.1Å; V221-E223 VanDerWaalsContact C-N 3.29Å; V221-E223 PolarHBondContact O-N 2.98Å; V221-L224 PolarHBondContact O-N 2.87Å; V221-L225 HydrophobicContact CG1-CD1 3.79Å; V221-L225 HydrophobicContact CG1-CG 4.1Å; V221-L225 WeakPolarHBondContact O-CB 3.45Å; V221-L225 VanDerWaalsContact O-CG 3.26Å; V221-L225 WeakPolarHBondContact O-CG 3.39Å; V221-L225 PolarHBondContact O-N 2.8Å; V221-I264 HydrophobicContact CG1-CG2 4.47Å; V221-V267 HydrophobicContact CG2-CB 4.18Å; V221-V267 HydrophobicContact CG2-CG1 3.51Å; V221-I268 HydrophobicContact CB-CG1 4.39Å; V221-I268 HydrophobicContact CG1-CD1 3.9Å; V221-I268 HydrophobicContact CG1-CG1 3.69Å; V221-I268 HydrophobicContact CG2-CG1 3.76Å; V221-M516 HydrophobicContact CB-SD 4.08Å; V221-M516 HydrophobicContact CG1-SD 3.71Å
222	K	89.3	Confident	82	Confident	66 Å²	66	55 Å²	55	29%	0.287	27%	0.265	S	S	.	.	H	α-helix	trans	-58.2	-40.7	176.9	178.7	174.8	177.4	170.2	0	112.1	H218 V220 K226 T505 M516	H218-K222 WeakPolarHBondContact O-CB 3.17Å; H218-K222 PolarHBondContact O-N 2.03Å; V220-K222 VanDerWaalsContact C-N 3.29Å; V220-K222 PolarHBondContact O-N 3.38Å; K222-K226 HydrophobicContact CG-CD 4.32Å; K222-K226 WeakPolarHBondContact O-CB 3.09Å; K222-K226 VanDerWaalsContact O-CG 3.22Å; K222-K226 WeakPolarHBondContact O-CG 3.38Å; K222-K226 PolarHBondContact O-N 3.41Å; K222-T505 HydrophobicContact CD-CG2 4.17Å; K222-T505 WeakPolarHBondContact CE-OG1 3.28Å; K222-T505 HydrophobicContact CG-CG2 4.42Å; K222-T505 PolarHBondContact NZ-OG1 3.47Å; K222-M516 HydrophobicContact CB-CE 4.27Å; K222-M516 HydrophobicContact CB-SD 3.86Å
223	E	89.3	Confident	82.2	Confident	71 Å²	71	52.6 Å²	52.6	33%	0.332	26%	0.257	S	S	.	.	H	α-helix	trans	-68.1	-46.3	176.8	-166.8	177.8	142.1	0	0	111.8	Y214 S219 V220 V221 L225 K226 E227 R280	Y214-E223 WeakPolarHBondContact CE1-OE2 3.38Å; Y214-E223 VanDerWaalsContact CZ-OE2 3.26Å; Y214-E223 PolarHBondContact OH-OE1 2.73Å; Y214-E223 PolarHBondContact OH-OE2 3.4Å; S219-E223 PolarHBondContact O-N 2.89Å; S219-E223 VanDerWaalsContact O-N 3.16Å; V220-E223 PolarHBondContact O-N 3.43Å; V220-E223 VanDerWaalsContact O-N 3.09Å; V221-E223 VanDerWaalsContact C-N 3.29Å; V221-E223 PolarHBondContact O-N 2.98Å; E223-L225 VanDerWaalsContact C-N 3.33Å; E223-L225 PolarHBondContact O-N 3.27Å; E223-K226 PolarHBondContact O-N 3.03Å; E223-E227 PolarHBondContact O-N 2.9Å; E223-R280 IonicContact OE1-NH1 3.89Å; E223-R280 PolarHBondContact OE1-NH1 3.03Å
224	L	89.4	Confident	82.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.9	-44.6	177	-65.9	173.2	0	0	0	112.2	V220 V221 K228 I264 E341 I343	V220-L224 HydrophobicContact CG1-CD1 3.99Å; V220-L224 HydrophobicContact CG1-CG 4.31Å; V220-L224 WeakPolarHBondContact O-CG 3.46Å; V220-L224 PolarHBondContact O-N 3.22Å; V221-L224 PolarHBondContact O-N 2.87Å; L224-K228 PolarHBondContact O-N 3.49Å; L224-I264 HydrophobicContact CB-CD1 4.19Å; L224-I264 HydrophobicContact CB-CG1 3.93Å; L224-I264 HydrophobicContact CD1-CG1 3.94Å; L224-E341 WeakPolarHBondContact CD2-OE1 3.45Å; L224-I343 HydrophobicContact CD1-CD1 3.77Å
225	L	91.1	Very high	82.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67.1	-41.8	177.8	-67.8	178.7	0	0	0	111.2	V221 E223 E227 K228 S229 L236 F238 F240 I264 A507 I509 M516	V221-L225 HydrophobicContact CG1-CD1 3.79Å; V221-L225 HydrophobicContact CG1-CG 4.1Å; V221-L225 WeakPolarHBondContact O-CB 3.45Å; V221-L225 VanDerWaalsContact O-CG 3.26Å; V221-L225 WeakPolarHBondContact O-CG 3.39Å; V221-L225 PolarHBondContact O-N 2.8Å; E223-L225 VanDerWaalsContact C-N 3.33Å; E223-L225 PolarHBondContact O-N 3.27Å; L225-E227 PolarHBondContact O-N 3.01Å; L225-K228 CarbonylContact O-C 3.42Å; L225-K228 PolarHBondContact O-N 3.45Å; L225-K228 VanDerWaalsContact O-N 3.16Å; L225-S229 PolarHBondContact O-N 3.34Å; L225-L236 HydrophobicContact CB-CD2 4.32Å; L225-F238 HydrophobicContact CB-CE2 3.77Å; L225-F238 HydrophobicContact CB-CZ 3.92Å; L225-F238 HydrophobicContact CD1-CE2 4.28Å; L225-F238 HydrophobicContact CD2-CD2 3.73Å; L225-F238 HydrophobicContact CD2-CE2 3.62Å; L225-F238 HydrophobicContact CD2-CG 4.26Å; L225-F238 HydrophobicContact CD2-CZ 4.06Å; L225-F238 HydrophobicContact CG-CE2 4.09Å; L225-F238 WeakPolarHBondContact O-CZ 3.47Å; L225-F240 HydrophobicContact CD2-CZ 4.32Å; L225-I264 HydrophobicContact CD2-CD1 4.24Å; L225-I264 HydrophobicContact CD2-CG2 3.91Å; L225-A507 HydrophobicContact CD1-CB 3.84Å; L225-I509 HydrophobicContact CD1-CD1 4.15Å; L225-I509 HydrophobicContact CD2-CD1 4.1Å; L225-M516 HydrophobicContact CD1-CE 4.05Å; L225-M516 HydrophobicContact CD1-SD 4.07Å
226	K	89.9	Confident	83.9	Confident	114 Å²	114	48.9 Å²	48.9	50%	0.496	25%	0.254	S	S	.	.	H	α-helix	trans	-61.9	-43	176.7	-80.9	177.5	175.2	-168.9	0	112.6	K222 E223 K228 S229 L236	K222-K226 HydrophobicContact CG-CD 4.32Å; K222-K226 WeakPolarHBondContact O-CB 3.09Å; K222-K226 VanDerWaalsContact O-CG 3.22Å; K222-K226 WeakPolarHBondContact O-CG 3.38Å; K222-K226 PolarHBondContact O-N 3.41Å; E223-K226 PolarHBondContact O-N 3.03Å; K226-K228 PolarHBondContact O-N 2.9Å; K226-S229 PolarHBondContact O-N 3.06Å; K226-S229 PolarHBondContact O-OG 3.43Å; K226-L236 HydrophobicContact CG-CD2 4.31Å
227	E	88.1	Confident	84.8	Confident	86 Å²	86	48.2 Å²	48.2	40%	0.402	25%	0.251	S	S	.	.	H	α-helix	trans	-59.9	-31.5	175.9	-75.8	-175	-177.9	0	0	112.9	E223 L225 K260 R280 K282	E223-E227 PolarHBondContact O-N 2.9Å; L225-E227 PolarHBondContact O-N 3.01Å; E227-K260 IonicContact OE2-NZ 3.74Å; E227-K260 PolarHBondContact OE2-NZ 2.85Å; E227-K260 VanDerWaalsContact OE2-NZ 3.15Å; E227-R280 IonicContact OE1-CZ 2.83Å; E227-R280 VanDerWaalsContact OE1-CZ 3.29Å; E227-R280 IonicContact OE1-NH1 3.66Å; E227-R280 PolarHBondContact OE1-NH1 3.32Å; E227-R280 IonicContact OE1-NH2 3.33Å; E227-R280 PolarHBondContact OE1-NH2 2.85Å; E227-R280 IonicContact OE2-CZ 2.68Å; E227-R280 IonicContact OE2-NH1 3.24Å; E227-R280 IonicContact OE2-NH2 3.46Å; E227-R280 PolarHBondContact OE2-NH2 3.1Å; E227-K282 IonicContact OE2-NZ 3.58Å
228	K	87.4	Confident	85.4	Confident	18 Å²	18	48.1 Å²	48.1	8%	0.078	25%	0.25	C	C	.	.	H	α-helix	trans	-89.3	-14	-178.2	-161.3	168.3	169	81.9	0	113.1	G161 D163 L224 L225 K226 F238 F240 N261 I264	G161-K228 WeakPolarHBondContact O-CE 3.3Å; G161-K228 PolarHBondContact O-NZ 3.02Å; D163-K228 IonicContact OD1-NZ 2.95Å; D163-K228 PolarHBondContact OD1-NZ 3Å; L224-K228 PolarHBondContact O-N 3.49Å; L225-K228 CarbonylContact O-C 3.42Å; L225-K228 PolarHBondContact O-N 3.45Å; L225-K228 VanDerWaalsContact O-N 3.16Å; K226-K228 PolarHBondContact O-N 2.9Å; K228-F238 HydrophobicContact CB-CE1 4.12Å; K228-F238 HydrophobicContact CG-CE1 4.29Å; K228-F240 HydrophobicContact CD-CE1 4.01Å; K228-F240 HydrophobicContact CD-CZ 4.2Å; K228-N261 WeakPolarHBondContact CE-OD1 3.43Å; K228-N261 PolarHBondContact NZ-OD1 2.98Å; K228-I264 HydrophobicContact CD-CD1 4.18Å
229	S	85.5	Confident	85.7	Confident	50 Å²	50	46.5 Å²	46.5	35%	0.35	24%	0.242	S	C	.	.			trans	-69.6	133	-179.4	69.7	0	0	0	0	111.2	L225 K226	L225-S229 PolarHBondContact O-N 3.34Å; K226-S229 PolarHBondContact O-N 3.06Å; K226-S229 PolarHBondContact O-OG 3.43Å
230	F	80.7	Confident	85.9	Confident	56 Å²	56	44.6 Å²	44.6	25%	0.246	23%	0.227	C	C	.	.			trans	-85.4	157.1	169.9	-73.5	-98.9	0	0	0	110	I159 V232 P460	I159-F230 HydrophobicContact CB-CB 4.43Å; I159-F230 HydrophobicContact CB-CD2 4.46Å; I159-F230 HydrophobicContact CB-CG 4.32Å; I159-F230 HydrophobicContact CG2-CD1 4.41Å; I159-F230 HydrophobicContact CG2-CG 4.41Å; I159-F230 WeakPolarHBondContact O-CD2 3.22Å; F230-V232 HydrophobicContact CB-CG1 4.4Å; F230-V232 HydrophobicContact CB-CG2 4.29Å; F230-V232 PolarHBondContact O-N 3.12Å; F230-P460 HydrophobicContact CE1-CG 4.25Å
231	K	75.9	Confident	85.9	Confident	220 Å²	220	47 Å²	47	96%	0.957	24%	0.244	S	C	*	.	S	Bend	trans	-73.8	67.9	175.4	-65.7	-177.3	-179	177.9	0	111
232	V	73.9	Confident	85.9	Confident	55 Å²	55	50.2 Å²	50.2	33%	0.333	26%	0.261	S	S	.	.	S	Bend	trans	-127.3	152.6	178.4	-65.8	0	0	0	0	110.3	F230 A234	F230-V232 HydrophobicContact CB-CG1 4.4Å; F230-V232 HydrophobicContact CB-CG2 4.29Å; F230-V232 PolarHBondContact O-N 3.12Å; V232-A234 HydrophobicContact CG2-CB 3.79Å; V232-A234 PolarHBondContact O-N 3.44Å
233	D	67.4	Low	85.9	Confident	97 Å²	97	48.1 Å²	48.1	52%	0.519	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	50.5	176.5	-168.7	31.6	0	0	0	111.7	N493 W552	D233-N493 PolarHBondContact O-ND2 3.25Å; D233-W552 PolarHBondContact OD2-NE1 3.41Å
234	A	76.3	Confident	86	Confident	2 Å²	2	45.4 Å²	45.4	2%	0.017	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-10.6	178.2	0	0	0	0	0	112.9	L160 V232 S237 I489	L160-A234 HydrophobicContact CD2-CB 4.26Å; V232-A234 HydrophobicContact CG2-CB 3.79Å; V232-A234 PolarHBondContact O-N 3.44Å; A234-S237 VanDerWaalsContact O-CB 3.28Å; A234-S237 WeakPolarHBondContact O-CB 3.4Å; A234-S237 PolarHBondContact O-OG 2.59Å; A234-S237 VanDerWaalsContact O-OG 3.11Å; A234-I489 HydrophobicContact CB-CG2 3.9Å
235	G	84.5	Confident	85.8	Confident	47 Å²	47	48.7 Å²	48.7	49%	0.485	27%	0.265	S	S	.	.			trans	62.5	-152.3	-169.1	0	0	0	0	0	112	S237	G235-S237 PolarHBondContact O-N 3.37Å
236	L	90.8	Very high	85.6	Confident	23 Å²	23	50.9 Å²	50.9	12%	0.12	28%	0.28	C	S	.	.	S	Bend	trans	-82.1	65	175.4	-67.8	-178.6	0	0	0	110.8	L225 K226 F238 T505 A507 L508 M516	L225-L236 HydrophobicContact CB-CD2 4.32Å; K226-L236 HydrophobicContact CG-CD2 4.31Å; L236-F238 HydrophobicContact CB-CE2 3.94Å; L236-F238 HydrophobicContact CD2-CE2 4.11Å; L236-F238 HydrophobicContact CD2-CZ 4.2Å; L236-T505 HydrophobicContact CD1-CG2 3.81Å; L236-A507 HydrophobicContact CB-CB 3.86Å; L236-A507 HydrophobicContact CD1-CB 4.46Å; L236-A507 CarbonylContact O-C 3.55Å; L236-A507 WeakPolarHBondContact O-CA 3.38Å; L236-L508 PolarHBondContact O-N 3.44Å; L236-M516 HydrophobicContact CD1-CE 3.95Å
237	S	94.1	Very high	85.3	Confident	4 Å²	4	46.3 Å²	46.3	3%	0.028	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.8	-179.8	-95.2	0	0	0	0	111.5	A234 G235 Y492 N493 I494	A234-S237 VanDerWaalsContact O-CB 3.28Å; A234-S237 WeakPolarHBondContact O-CB 3.4Å; A234-S237 PolarHBondContact O-OG 2.59Å; A234-S237 VanDerWaalsContact O-OG 3.11Å; G235-S237 PolarHBondContact O-N 3.37Å; S237-Y492 WeakPolarHBondContact CB-O 3.38Å; S237-Y492 PolarHBondContact OG-O 3.5Å; S237-N493 WeakPolarHBondContact OG-CA 3.29Å; S237-I494 PolarHBondContact OG-N 3.45Å
238	F	93.2	Very high	84.5	Confident	3 Å²	3	43 Å²	43	1%	0.013	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	137	-174.6	-61.1	-80.1	0	0	0	112.6	L160 L225 K228 L236 F240 L508 I509 D510	L160-F238 WeakPolarHBondContact O-CA 2.97Å; L225-F238 HydrophobicContact CB-CE2 3.77Å; L225-F238 HydrophobicContact CB-CZ 3.92Å; L225-F238 HydrophobicContact CD1-CE2 4.28Å; L225-F238 HydrophobicContact CD2-CD2 3.73Å; L225-F238 HydrophobicContact CD2-CE2 3.62Å; L225-F238 HydrophobicContact CD2-CG 4.26Å; L225-F238 HydrophobicContact CD2-CZ 4.06Å; L225-F238 HydrophobicContact CG-CE2 4.09Å; L225-F238 WeakPolarHBondContact O-CZ 3.47Å; K228-F238 HydrophobicContact CB-CE1 4.12Å; K228-F238 HydrophobicContact CG-CE1 4.29Å; L236-F238 HydrophobicContact CB-CE2 3.94Å; L236-F238 HydrophobicContact CD2-CE2 4.11Å; L236-F238 HydrophobicContact CD2-CZ 4.2Å; F238-F240 HydrophobicContact CB-CD1 4.12Å; F238-F240 HydrophobicContact CB-CE1 3.53Å; F238-F240 HydrophobicContact CB-CE2 4.25Å; F238-F240 HydrophobicContact CB-CZ 3.6Å; F238-F240 AromaticContact CD1-CE1 3.61Å; F238-F240 HydrophobicContact CD1-CE1 3.61Å; F238-F240 AromaticContact CD1-CZ 3.84Å; F238-F240 HydrophobicContact CD1-CZ 3.84Å; F238-F240 AromaticContact CG-CE1 3.84Å; F238-F240 HydrophobicContact CG-CE1 3.84Å; F238-F240 AromaticContact CG-CZ 3.77Å; F238-F240 HydrophobicContact CG-CZ 3.77Å; F238-L508 PolarHBondContact N-O 3.28Å; F238-I509 HydrophobicContact CB-CG1 4.43Å; F238-I509 HydrophobicContact CD2-CG1 4.41Å; F238-D510 PolarHBondContact O-N 3.1Å
239	K	91.7	Very high	82.8	Confident	11 Å²	11	49.7 Å²	49.7	5%	0.048	29%	0.287	C	S	.	.			trans	-130.9	88.8	177.4	-178.4	52.3	169.8	152.4	0	108.2	L160 A162 S241 S243 E324 Y488 Y492	L160-K239 HydrophobicContact CB-CB 4.01Å; L160-K239 HydrophobicContact CD1-CB 4.07Å; L160-K239 PolarHBondContact O-N 3.41Å; A162-K239 WeakPolarHBondContact CB-O 3.19Å; K239-S241 WeakPolarHBondContact CD-O 3.28Å; K239-S241 WeakPolarHBondContact CE-O 3.31Å; K239-S241 PolarHBondContact NZ-O 3.17Å; K239-S243 VanDerWaalsContact CE-OG 3.26Å; K239-S243 WeakPolarHBondContact CE-OG 3.49Å; K239-S243 PolarHBondContact NZ-OG 3.04Å; K239-E324 VanDerWaalsContact CE-OE1 3.23Å; K239-E324 WeakPolarHBondContact CE-OE1 3.3Å; K239-E324 IonicContact NZ-OE1 3.88Å; K239-Y488 VanDerWaalsContact CG-OH 3.24Å; K239-Y488 WeakPolarHBondContact CG-OH 3.45Å; K239-Y492 HydrophobicContact CD-CD1 4.27Å; K239-Y492 HydrophobicContact CD-CE1 4.01Å; K239-Y492 HydrophobicContact CG-CD2 4.45Å; K239-Y492 HydrophobicContact CG-CE2 4.44Å
240	F	88.5	Confident	80.7	Confident	12 Å²	12	51.5 Å²	51.5	5%	0.053	30%	0.296	C	S	.	.			trans	-88.9	-39.3	-174.9	-59.8	-28.7	0	0	0	112.2	G161 L225 K228 F238 N261 I264 I509 D510	G161-F240 WeakPolarHBondContact O-CD1 3.28Å; L225-F240 HydrophobicContact CD2-CZ 4.32Å; K228-F240 HydrophobicContact CD-CE1 4.01Å; K228-F240 HydrophobicContact CD-CZ 4.2Å; F238-F240 HydrophobicContact CB-CD1 4.12Å; F238-F240 HydrophobicContact CB-CE1 3.53Å; F238-F240 HydrophobicContact CB-CE2 4.25Å; F238-F240 HydrophobicContact CB-CZ 3.6Å; F238-F240 AromaticContact CD1-CE1 3.61Å; F238-F240 HydrophobicContact CD1-CE1 3.61Å; F238-F240 AromaticContact CD1-CZ 3.84Å; F238-F240 HydrophobicContact CD1-CZ 3.84Å; F238-F240 AromaticContact CG-CE1 3.84Å; F238-F240 HydrophobicContact CG-CE1 3.84Å; F238-F240 AromaticContact CG-CZ 3.77Å; F238-F240 HydrophobicContact CG-CZ 3.77Å; F240-N261 HydrophobicContact CB-CB 3.95Å; F240-N261 HydrophobicContact CD1-CB 4.27Å; F240-N261 HydrophobicContact CD2-CB 3.75Å; F240-N261 HydrophobicContact CE2-CB 4.28Å; F240-N261 HydrophobicContact CG-CB 3.75Å; F240-I264 HydrophobicContact CE2-CG2 4.44Å; F240-I264 HydrophobicContact CZ-CD1 4.33Å; F240-I509 HydrophobicContact CD2-CG2 3.86Å; F240-I509 HydrophobicContact CE2-CG2 3.82Å; F240-D510 PolarHBondContact N-OD1 3.06Å
241	S	87.3	Confident	78.5	Confident	51 Å²	51	52.6 Å²	52.6	36%	0.357	31%	0.31	S	S	.	.	S	Bend	trans	-89.3	144.9	178.4	-70.3	0	0	0	0	111.4	K239 R265 D510	K239-S241 WeakPolarHBondContact CD-O 3.28Å; K239-S241 WeakPolarHBondContact CE-O 3.31Å; K239-S241 PolarHBondContact NZ-O 3.17Å; S241-R265 PolarHBondContact OG-NH2 2.98Å; S241-D510 PolarHBondContact N-OD1 3.49Å
242	N	88.8	Confident	76.5	Confident	68 Å²	68	46.9 Å²	46.9	36%	0.364	29%	0.293	S	S	.	.			trans	-76	137.2	168.8	-67	17.6	0	0	0	109.1	R165 E324	R165-N242 VanDerWaalsContact CZ-OD1 3.25Å; R165-N242 PolarHBondContact NH1-ND2 3.28Å; R165-N242 PolarHBondContact NH1-OD1 3.1Å; R165-N242 PolarHBondContact NH2-OD1 3.26Å; N242-E324 VanDerWaalsContact CA-OE2 3.23Å; N242-E324 WeakPolarHBondContact CA-OE2 3.22Å; N242-E324 HydrophobicContact CB-CB 4.43Å; N242-E324 WeakPolarHBondContact CB-OE2 3Å; N242-E324 PolarHBondContact ND2-O 2.83Å
243	S	89.1	Confident	74.3	Confident	22 Å²	22	52.3 Å²	52.3	15%	0.154	32%	0.315	C	S	.	.			trans	-111.2	-20.6	172.7	35.1	0	0	0	0	112.4	A76 K239 E324 Y492	A76-S243 WeakPolarHBondContact CB-O 2.93Å; K239-S243 VanDerWaalsContact CE-OG 3.26Å; K239-S243 WeakPolarHBondContact CE-OG 3.49Å; K239-S243 PolarHBondContact NZ-OG 3.04Å; S243-E324 PolarHBondContact N-OE1 3.43Å; S243-E324 PolarHBondContact N-OE2 3.36Å; S243-E324 PolarHBondContact OG-OE1 3.21Å; S243-Y492 PolarHBondContact OG-OH 3.29Å
244	E	91.3	Very high	72.7	Confident	15 Å²	15	51 Å²	51	7%	0.07	32%	0.318	C	S	.	.	S	Bend	trans	-89	156.6	-179.8	-63.6	-60.1	137.1	0	0	112.2	I77 G78 S246 F320 A321 E324	I77-E244 WeakPolarHBondContact CA-OE1 3.49Å; I77-E244 VanDerWaalsContact CB-OE1 3.3Å; I77-E244 WeakPolarHBondContact CB-OE1 3.46Å; I77-E244 PolarHBondContact N-OE1 2.95Å; G78-E244 WeakPolarHBondContact CA-OE2 2.71Å; G78-E244 PolarHBondContact N-OE1 3.31Å; G78-E244 PolarHBondContact N-OE2 2.82Å; E244-S246 PolarHBondContact O-N 2.9Å; E244-F320 HydrophobicContact CG-CB 4.13Å; E244-A321 HydrophobicContact CB-CB 3.45Å; E244-A321 VanDerWaalsContact CB-CB 3.45Å; E244-A321 HydrophobicContact CG-CB 4.02Å; E244-E324 PolarHBondContact N-OE2 3.22Å
245	S	87.3	Confident	70.6	Confident	69 Å²	69	54.2 Å²	54.2	48%	0.483	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-71.4	122.1	169.2	49.5	0	0	0	0	110.3	R80	R80-S245 PolarHBondContact NH1-O 3.01Å; R80-S245 PolarHBondContact NH1-OG 3.19Å; R80-S245 VanDerWaalsContact NH1-OG 3.17Å; R80-S245 PolarHBondContact NH2-O 3.34Å
246	S	86.8	Confident	68.3	Low	45 Å²	45	55 Å²	55	32%	0.315	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-53.8	145.9	176.9	-169.6	0	0	0	0	111.2	E244 G248 D325	E244-S246 PolarHBondContact O-N 2.9Å; S246-G248 PolarHBondContact OG-N 2.84Å; S246-D325 WeakPolarHBondContact CA-OD2 3.43Å; S246-D325 WeakPolarHBondContact CB-OD1 3.1Å; S246-D325 PolarHBondContact OG-OD1 3Å; S246-D325 PolarHBondContact OG-OD2 3.43Å; S246-D325 VanDerWaalsContact OG-OD2 3.04Å
247	L	83.6	Confident	66.1	Low	18 Å²	18	58.9 Å²	58.9	9%	0.094	37%	0.365	C	S	.	.	S	Bend	trans	-79.1	-24.5	176.6	-82.4	73.9	0	0	0	112	H306 L310 I318 A321 F322 D325	L247-H306 HydrophobicContact CB-CB 4.44Å; L247-H306 HydrophobicContact CD2-CB 4.08Å; L247-H306 PolarHBondContact O-NE2 2.8Å; L247-L310 HydrophobicContact CD2-CD2 3.93Å; L247-I318 HydrophobicContact CD1-CD1 4.21Å; L247-I318 HydrophobicContact CD2-CD1 4.33Å; L247-I318 HydrophobicContact CG-CD1 4.24Å; L247-A321 HydrophobicContact CD1-CB 3.4Å; L247-F322 HydrophobicContact CD2-CB 4.45Å; L247-F322 HydrophobicContact CD2-CD2 4.31Å; L247-D325 PolarHBondContact N-OD2 3.47Å
248	G	70.9	Confident	64.4	Low	17 Å²	17	60.2 Å²	60.2	18%	0.175	37%	0.37	C	S	.	.	S	Bend	trans	-80	151.9	178.5	0	0	0	0	0	113.1	S246 H306	S246-G248 PolarHBondContact OG-N 2.84Å; G248-H306 VanDerWaalsContact CA-CE1 3.44Å; G248-H306 WeakPolarHBondContact CA-CE1 3.48Å; G248-H306 PolarHBondContact N-CE1 2.91Å
249	N	52.1	Low	63.4	Low	158 Å²	158	62.7 Å²	62.7	85%	0.845	39%	0.385	S	S	*	.	S	Bend	trans	-73.8	-18.3	165	-70	-9.7	0	0	0	111.6	S251	N249-S251 PolarHBondContact O-N 2.87Å
250	V	41.5	Very low	62.9	Low	89 Å²	89	62.8 Å²	62.8	54%	0.539	39%	0.386	S	S	.	.	S	Bend	trans	-81.2	101.7	171	-177	0	0	0	0	106.2	V252	V250-V252 PolarHBondContact O-N 3.42Å
251	S	32.7	Very low	62.8	Low	78 Å²	78	63 Å²	63	55%	0.545	39%	0.388	S	S	.	.			trans	-54.4	115	146	50	0	0	0	0	104.6	N249 E253	N249-S251 PolarHBondContact O-N 2.87Å; S251-E253 PolarHBondContact O-N 3.2Å
252	V	35	Very low	62.6	Low	100 Å²	100	62.8 Å²	62.8	61%	0.606	38%	0.381	S	S	*	.			trans	-63.9	82.1	162.7	-178.1	0	0	0	0	105.1	M166 V250 A254	M166-V252 HydrophobicContact CG-CG2 3.98Å; M166-V252 HydrophobicContact SD-CG2 4.11Å; V250-V252 PolarHBondContact O-N 3.42Å; V252-A254 PolarHBondContact O-N 2.89Å
253	E	27.9	Very low	62.5	Low	169 Å²	169	59.8 Å²	59.8	79%	0.79	37%	0.365	S	S	*	.			trans	-70.9	110.6	170.1	-97.3	-171.5	156.4	0	0	106.2	S251	S251-E253 PolarHBondContact O-N 3.2Å
254	A	33	Very low	62.4	Low	70 Å²	70	58.7 Å²	58.7	58%	0.579	36%	0.358	S	S	*	.			trans	60.7	79.2	140.9	0	0	0	0	0	116.8	V252 L256	V252-A254 PolarHBondContact O-N 2.89Å; A254-L256 PolarHBondContact O-N 3.44Å
255	G	33.3	Very low	62.2	Low	69 Å²	69	61.5 Å²	61.5	71%	0.711	37%	0.367	S	S	*	.	S	Bend		-63.1	113.6	125.4	0	0	0	0	0	107
256	L	36.6	Very low	62.1	Low	63 Å²	63	60.6 Å²	60.6	33%	0.33	36%	0.357	S	S	.	.			trans	-41.7	149.2	-175.4	-76.1	173.6	0	0	0	114.1	A254 F258 L421 V425	A254-L256 PolarHBondContact O-N 3.44Å; L256-F258 HydrophobicContact CB-CD2 3.62Å; L256-F258 HydrophobicContact CB-CE2 3.43Å; L256-F258 VanDerWaalsContact CB-CE2 3.43Å; L256-F258 HydrophobicContact CB-CZ 4.18Å; L256-F258 HydrophobicContact CD1-CD2 4.46Å; L256-F258 HydrophobicContact CD1-CE2 3.61Å; L256-F258 HydrophobicContact CD1-CZ 4.29Å; L256-F258 HydrophobicContact CG-CE2 4.11Å; L256-F258 PolarHBondContact O-N 2.69Å; L256-L421 HydrophobicContact CB-CD1 4.04Å; L256-L421 HydrophobicContact CD1-CD1 3.23Å; L256-L421 HydrophobicContact CD1-CD2 3.86Å; L256-L421 HydrophobicContact CD1-CG 3.5Å; L256-L421 VanDerWaalsContact CD1-CG 3.5Å; L256-L421 HydrophobicContact CG-CD1 3.58Å; L256-L421 HydrophobicContact CG-CD2 4.34Å; L256-L421 HydrophobicContact CG-CG 4.25Å; L256-V425 HydrophobicContact CD1-CG2 3.32Å
257	N	44.3	Very low	62.1	Low	106 Å²	106	58.4 Å²	58.4	57%	0.567	34%	0.342	S	S	*	.	S	Bend	trans	-53.5	48.9	178.5	-65.6	-5.7	0	0	0	116.3	E262 R428	N257-E262 WeakPolarHBondContact CA-OE1 3.49Å; N257-E262 WeakPolarHBondContact CA-OE2 3.34Å; N257-E262 WeakPolarHBondContact CB-OE1 3.12Å; N257-E262 PolarHBondContact OD1-OE1 2.87Å; N257-R428 PolarHBondContact O-NH1 2.75Å
258	F	57.4	Low	62.2	Low	32 Å²	32	59.3 Å²	59.3	14%	0.14	35%	0.347	C	S	.	.			trans	-122.4	24.9	-179.8	-50.4	-42.6	0	0	0	112.1	L256 E262 S415 V416 V425 R428	L256-F258 HydrophobicContact CB-CD2 3.62Å; L256-F258 HydrophobicContact CB-CE2 3.43Å; L256-F258 VanDerWaalsContact CB-CE2 3.43Å; L256-F258 HydrophobicContact CB-CZ 4.18Å; L256-F258 HydrophobicContact CD1-CD2 4.46Å; L256-F258 HydrophobicContact CD1-CE2 3.61Å; L256-F258 HydrophobicContact CD1-CZ 4.29Å; L256-F258 HydrophobicContact CG-CE2 4.11Å; L256-F258 PolarHBondContact O-N 2.69Å; F258-E262 PolarHBondContact N-OE2 3.19Å; F258-E262 VanDerWaalsContact N-OE2 3.12Å; F258-S415 WeakPolarHBondContact O-CA 3.06Å; F258-S415 PolarHBondContact O-OG 3.25Å; F258-V416 PolarHBondContact O-N 3.23Å; F258-V425 HydrophobicContact CE2-CG2 3.62Å; F258-V425 HydrophobicContact CZ-CG2 4.12Å; F258-R428 HydrophobicContact CE1-CG 4.49Å
259	T	71.9	Confident	62.7	Low	54 Å²	54	64.9 Å²	64.9	33%	0.331	37%	0.368	S	S	.	.			trans	-77.5	150.3	-175.7	67	0	0	0	0	111	N261 E262 L263	T259-N261 PolarHBondContact O-N 3.05Å; T259-N261 VanDerWaalsContact O-N 3.1Å; T259-E262 PolarHBondContact N-OE2 3.26Å; T259-E262 PolarHBondContact O-N 3.09Å; T259-E262 VanDerWaalsContact O-N 3.08Å; T259-E262 WeakPolarHBondContact OG1-CG 3.08Å; T259-E262 PolarHBondContact OG1-N 3.33Å; T259-E262 PolarHBondContact OG1-OE2 3.17Å; T259-L263 PolarHBondContact O-N 3.13Å; T259-L263 VanDerWaalsContact O-N 3.1Å
260	K	81.2	Confident	64	Low	14 Å²	14	59.1 Å²	59.1	6%	0.061	34%	0.335	C	S	.	.	H	α-helix	trans	-57.4	-25.4	173.2	-176.2	163.7	178.1	152.3	0	112.1	E227 L263 I264 E341 S415	E227-K260 IonicContact OE2-NZ 3.74Å; E227-K260 PolarHBondContact OE2-NZ 2.85Å; E227-K260 VanDerWaalsContact OE2-NZ 3.15Å; K260-L263 PolarHBondContact O-N 3.33Å; K260-I264 HydrophobicContact CG-CD1 4.22Å; K260-I264 WeakPolarHBondContact O-CD1 3.46Å; K260-I264 VanDerWaalsContact O-CG1 3.25Å; K260-I264 WeakPolarHBondContact O-CG1 3.48Å; K260-I264 PolarHBondContact O-N 2.95Å; K260-E341 WeakPolarHBondContact CD-OE2 3.48Å; K260-E341 WeakPolarHBondContact CE-OE2 3.29Å; K260-E341 IonicContact NZ-OE1 3.09Å; K260-E341 IonicContact NZ-OE2 3.29Å; K260-E341 PolarHBondContact NZ-OE2 3.27Å; K260-S415 WeakPolarHBondContact CA-OG 3.3Å; K260-S415 PolarHBondContact N-OG 2.95Å
261	N	85.9	Confident	65.2	Low	17 Å²	17	56.7 Å²	56.7	9%	0.091	32%	0.322	C	S	.	.	H	α-helix	trans	-68.1	-42.4	177.8	-60.5	-2.8	0	0	0	111.2	K228 F240 T259 I264 R265	K228-N261 WeakPolarHBondContact CE-OD1 3.43Å; K228-N261 PolarHBondContact NZ-OD1 2.98Å; F240-N261 HydrophobicContact CB-CB 3.95Å; F240-N261 HydrophobicContact CD1-CB 4.27Å; F240-N261 HydrophobicContact CD2-CB 3.75Å; F240-N261 HydrophobicContact CE2-CB 4.28Å; F240-N261 HydrophobicContact CG-CB 3.75Å; T259-N261 PolarHBondContact O-N 3.05Å; T259-N261 VanDerWaalsContact O-N 3.1Å; N261-I264 PolarHBondContact O-N 2.89Å; N261-R265 WeakPolarHBondContact O-CG 3.44Å; N261-R265 PolarHBondContact O-N 2.77Å; N261-R265 VanDerWaalsContact O-N 3.13Å
262	E	83.7	Confident	66.9	Low	45 Å²	45	61.5 Å²	61.5	21%	0.21	33%	0.333	C	S	.	.	H	α-helix	trans	-69.8	-40.1	174.6	-67.3	159.9	133.9	0	0	111.2	N257 F258 T259 I264 R265 D266	N257-E262 WeakPolarHBondContact CA-OE1 3.49Å; N257-E262 WeakPolarHBondContact CA-OE2 3.34Å; N257-E262 WeakPolarHBondContact CB-OE1 3.12Å; N257-E262 PolarHBondContact OD1-OE1 2.87Å; F258-E262 PolarHBondContact N-OE2 3.19Å; F258-E262 VanDerWaalsContact N-OE2 3.12Å; T259-E262 PolarHBondContact N-OE2 3.26Å; T259-E262 PolarHBondContact O-N 3.09Å; T259-E262 VanDerWaalsContact O-N 3.08Å; T259-E262 WeakPolarHBondContact OG1-CG 3.08Å; T259-E262 PolarHBondContact OG1-N 3.33Å; T259-E262 PolarHBondContact OG1-OE2 3.17Å; E262-I264 VanDerWaalsContact C-N 3.28Å; E262-I264 PolarHBondContact O-N 2.82Å; E262-R265 PolarHBondContact O-N 2.83Å; E262-R265 VanDerWaalsContact O-N 3.08Å; E262-D266 WeakPolarHBondContact O-CB 3.4Å; E262-D266 PolarHBondContact O-N 3.23Å
263	L	86.3	Confident	68.5	Low	5 Å²	5	60.5 Å²	60.5	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-53.8	-46.4	172.6	179.4	66.7	0	0	0	111.4	T259 K260 R265 D266 V267 E341 I343 M413	T259-L263 PolarHBondContact O-N 3.13Å; T259-L263 VanDerWaalsContact O-N 3.1Å; K260-L263 PolarHBondContact O-N 3.33Å; L263-R265 PolarHBondContact O-N 3.16Å; L263-D266 PolarHBondContact O-N 3.32Å; L263-V267 HydrophobicContact CD1-CG2 4.5Å; L263-V267 WeakPolarHBondContact O-CG2 3.04Å; L263-V267 PolarHBondContact O-N 3.48Å; L263-E341 HydrophobicContact CD2-CB 4.26Å; L263-E341 HydrophobicContact CD2-CG 3.94Å; L263-I343 HydrophobicContact CD1-CB 4.46Å; L263-I343 HydrophobicContact CD1-CD1 3.93Å; L263-I343 HydrophobicContact CD1-CG1 4.3Å; L263-I343 HydrophobicContact CD2-CD1 3.83Å; L263-I343 HydrophobicContact CD2-CG1 4.3Å; L263-I343 HydrophobicContact CG-CD1 3.85Å; L263-M413 HydrophobicContact CD1-CB 3.32Å
264	I	88.5	Confident	70.5	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61.7	-43.9	177.3	-70.9	162.1	0	0	0	111.1	V221 L224 L225 K228 F240 K260 N261 E262 V267 I268 I509	V221-I264 HydrophobicContact CG1-CG2 4.47Å; L224-I264 HydrophobicContact CB-CD1 4.19Å; L224-I264 HydrophobicContact CB-CG1 3.93Å; L224-I264 HydrophobicContact CD1-CG1 3.94Å; L225-I264 HydrophobicContact CD2-CD1 4.24Å; L225-I264 HydrophobicContact CD2-CG2 3.91Å; K228-I264 HydrophobicContact CD-CD1 4.18Å; F240-I264 HydrophobicContact CE2-CG2 4.44Å; F240-I264 HydrophobicContact CZ-CD1 4.33Å; K260-I264 HydrophobicContact CG-CD1 4.22Å; K260-I264 WeakPolarHBondContact O-CD1 3.46Å; K260-I264 VanDerWaalsContact O-CG1 3.25Å; K260-I264 WeakPolarHBondContact O-CG1 3.48Å; K260-I264 PolarHBondContact O-N 2.95Å; N261-I264 PolarHBondContact O-N 2.89Å; E262-I264 VanDerWaalsContact C-N 3.28Å; E262-I264 PolarHBondContact O-N 2.82Å; I264-V267 PolarHBondContact O-N 3.13Å; I264-I268 HydrophobicContact CG2-CD1 3.7Å; I264-I268 WeakPolarHBondContact O-CD1 3.47Å; I264-I268 WeakPolarHBondContact O-CG1 3.45Å; I264-I268 PolarHBondContact O-N 3.28Å; I264-I509 HydrophobicContact CG2-CD1 4.41Å
265	R	86.5	Confident	72.5	Confident	73 Å²	73	59.3 Å²	59.3	28%	0.275	31%	0.306	S	S	.	.	H	α-helix	trans	-63.2	-47.6	177.6	-70.9	179.7	-173.2	151.1	0.4	112	S241 N261 E262 L263 V267 I268 E269 D510	S241-R265 PolarHBondContact OG-NH2 2.98Å; N261-R265 WeakPolarHBondContact O-CG 3.44Å; N261-R265 PolarHBondContact O-N 2.77Å; N261-R265 VanDerWaalsContact O-N 3.13Å; E262-R265 PolarHBondContact O-N 2.83Å; E262-R265 VanDerWaalsContact O-N 3.08Å; L263-R265 PolarHBondContact O-N 3.16Å; R265-V267 VanDerWaalsContact C-N 3.3Å; R265-V267 PolarHBondContact O-N 3.32Å; R265-I268 WeakPolarHBondContact O-CB 3.34Å; R265-I268 PolarHBondContact O-N 3.14Å; R265-I268 VanDerWaalsContact O-N 3.12Å; R265-E269 WeakPolarHBondContact O-CG 3.28Å; R265-E269 PolarHBondContact O-N 3.02Å; R265-D510 IonicContact CZ-OD2 3.34Å; R265-D510 IonicContact NE-OD2 3.03Å; R265-D510 PolarHBondContact NE-OD2 3.11Å; R265-D510 IonicContact NH2-OD1 3.78Å; R265-D510 IonicContact NH2-OD2 3.17Å; R265-D510 PolarHBondContact NH2-OD2 2.87Å
266	D	85.9	Confident	74.8	Confident	50 Å²	50	56.4 Å²	56.4	27%	0.267	27%	0.274	S	S	.	.	H	α-helix	trans	-56	-45.5	177.2	-87.4	28.8	0	0	0	111.1	E262 L263 E269 Y270 K411 M413	E262-D266 WeakPolarHBondContact O-CB 3.4Å; E262-D266 PolarHBondContact O-N 3.23Å; L263-D266 PolarHBondContact O-N 3.32Å; D266-E269 PolarHBondContact O-N 3.23Å; D266-Y270 WeakPolarHBondContact O-CB 3.48Å; D266-Y270 PolarHBondContact O-N 2.81Å; D266-K411 IonicContact OD2-NZ 3.38Å; D266-K411 PolarHBondContact OD2-NZ 2.9Å; D266-M413 HydrophobicContact CB-SD 3.87Å
267	V	86.5	Confident	77	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-43.5	177.4	177	0	0	0	0	110.8	T217 V221 L263 I264 R265 E269 Y270 S271 F278 I343 M413	T217-V267 HydrophobicContact CG2-CG1 3.64Å; T217-V267 WeakPolarHBondContact CG2-O 3.2Å; V221-V267 HydrophobicContact CG2-CB 4.18Å; V221-V267 HydrophobicContact CG2-CG1 3.51Å; L263-V267 HydrophobicContact CD1-CG2 4.5Å; L263-V267 WeakPolarHBondContact O-CG2 3.04Å; L263-V267 PolarHBondContact O-N 3.48Å; I264-V267 PolarHBondContact O-N 3.13Å; R265-V267 VanDerWaalsContact C-N 3.3Å; R265-V267 PolarHBondContact O-N 3.32Å; V267-E269 VanDerWaalsContact C-N 3.32Å; V267-E269 PolarHBondContact O-N 3.25Å; V267-Y270 PolarHBondContact O-N 2.75Å; V267-S271 PolarHBondContact O-N 3.1Å; V267-F278 HydrophobicContact CG1-CE1 4.31Å; V267-I343 HydrophobicContact CG2-CD1 3.57Å; V267-I343 HydrophobicContact CG2-CG2 4.23Å; V267-M413 HydrophobicContact CB-SD 4.27Å; V267-M413 HydrophobicContact CG2-SD 3.45Å; V267-M413 WeakPolarHBondContact CG2-SD 3.44Å
268	I	85.4	Confident	78.9	Confident	37 Å²	37	48.7 Å²	48.7	19%	0.19	23%	0.233	C	C	.	.	H	α-helix	trans	-60.6	-42.1	177.1	-69.8	161.8	0	0	0	110.9	V221 I264 R265 Y270 S271 I509 I514	V221-I268 HydrophobicContact CB-CG1 4.39Å; V221-I268 HydrophobicContact CG1-CD1 3.9Å; V221-I268 HydrophobicContact CG1-CG1 3.69Å; V221-I268 HydrophobicContact CG2-CG1 3.76Å; I264-I268 HydrophobicContact CG2-CD1 3.7Å; I264-I268 WeakPolarHBondContact O-CD1 3.47Å; I264-I268 WeakPolarHBondContact O-CG1 3.45Å; I264-I268 PolarHBondContact O-N 3.28Å; R265-I268 WeakPolarHBondContact O-CB 3.34Å; R265-I268 PolarHBondContact O-N 3.14Å; R265-I268 VanDerWaalsContact O-N 3.12Å; I268-Y270 VanDerWaalsContact C-N 3.33Å; I268-Y270 PolarHBondContact O-N 2.03Å; I268-S271 VanDerWaalsContact O-CB 3.26Å; I268-S271 WeakPolarHBondContact O-CB 3.25Å; I268-S271 PolarHBondContact O-N 2.82Å; I268-S271 PolarHBondContact O-OG 3.08Å; I268-I509 HydrophobicContact CD1-CD1 3.42Å; I268-I509 VanDerWaalsContact CD1-CD1 3.42Å; I268-I514 HydrophobicContact CD1-CD1 3.8Å; I268-I514 HydrophobicContact CG1-CD1 4.25Å; I268-I514 HydrophobicContact CG2-CD1 4.46Å
269	E	82.2	Confident	80.2	Confident	134 Å²	134	47.1 Å²	47.1	63%	0.626	23%	0.226	S	C	*	.	H	α-helix	trans	-67.2	-36	178.2	-72	-176.6	179.9	0	0	112.5	R265 D266 V267 S271	R265-E269 WeakPolarHBondContact O-CG 3.28Å; R265-E269 PolarHBondContact O-N 3.02Å; D266-E269 PolarHBondContact O-N 3.23Å; V267-E269 VanDerWaalsContact C-N 3.32Å; V267-E269 PolarHBondContact O-N 3.25Å; E269-S271 PolarHBondContact O-N 3.38Å
270	Y	78.1	Confident	80.9	Confident	36 Å²	36	45.2 Å²	45.2	14%	0.141	21%	0.213	C	C	.	.	H	α-helix	trans	-70.7	-15.9	178.6	-141.4	-89.9	0	0	0	113.6	D266 V267 I268 K272 I273 I276 V345 D410 K411 M413	D266-Y270 WeakPolarHBondContact O-CB 3.48Å; D266-Y270 PolarHBondContact O-N 2.81Å; V267-Y270 PolarHBondContact O-N 2.75Å; I268-Y270 VanDerWaalsContact C-N 3.33Å; I268-Y270 PolarHBondContact O-N 2.03Å; Y270-K272 PolarHBondContact O-N 2.91Å; Y270-I273 HydrophobicContact CD1-CD1 4.06Å; Y270-I273 HydrophobicContact CE1-CD1 3.64Å; Y270-I273 HydrophobicContact CE2-CD1 4.18Å; Y270-I273 HydrophobicContact CG-CD1 4.48Å; Y270-I273 PolarHBondContact O-N 3.13Å; Y270-I276 HydrophobicContact CD1-CD1 3.68Å; Y270-I276 HydrophobicContact CE1-CD1 4.13Å; Y270-V345 HydrophobicContact CD1-CG1 3.91Å; Y270-V345 HydrophobicContact CD1-CG2 4.17Å; Y270-V345 HydrophobicContact CE1-CB 4.19Å; Y270-V345 HydrophobicContact CE1-CG1 3.29Å; Y270-V345 HydrophobicContact CE1-CG2 4.06Å; Y270-D410 PolarHBondContact OH-OD2 3.42Å; Y270-K411 HydrophobicContact CE2-CB 4.49Å; Y270-K411 HydrophobicContact CE2-CD 4.06Å; Y270-M413 VanDerWaalsContact CB-CE 3.5Å; Y270-M413 HydrophobicContact CD1-CE 4.24Å; Y270-M413 HydrophobicContact CD2-CE 3.5Å; Y270-M413 VanDerWaalsContact CD2-CE 3.5Å; Y270-M413 HydrophobicContact CE2-CE 4.25Å; Y270-M413 HydrophobicContact CG-CE 3.47Å; Y270-M413 VanDerWaalsContact CG-CE 3.47Å
271	S	67.9	Low	81.2	Confident	38 Å²	38	44.6 Å²	44.6	27%	0.266	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-16.8	178.7	70.3	0	0	0	0	115.2	T217 V267 I268 E269 I273	T217-S271 VanDerWaalsContact CG2-CB 3.42Å; T217-S271 WeakPolarHBondContact OG1-CA 3.33Å; V267-S271 PolarHBondContact O-N 3.1Å; I268-S271 VanDerWaalsContact O-CB 3.26Å; I268-S271 WeakPolarHBondContact O-CB 3.25Å; I268-S271 PolarHBondContact O-N 2.82Å; I268-S271 PolarHBondContact O-OG 3.08Å; E269-S271 PolarHBondContact O-N 3.38Å; S271-I273 PolarHBondContact O-N 3.1Å
272	K	66.8	Low	81.3	Confident	180 Å²	180	46.1 Å²	46.1	78%	0.783	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-14.5	-179.5	-63	178.2	-178.5	175.8	0	113.6	Y270	Y270-K272 PolarHBondContact O-N 2.91Å
273	I	69.1	Low	81.5	Confident	78 Å²	78	44 Å²	44	40%	0.4	21%	0.207	S	C	.	.	S	Bend	trans	-90.7	130.9	-176	-54.7	-179.3	0	0	0	109.8	Y270 S271 I276	Y270-I273 HydrophobicContact CD1-CD1 4.06Å; Y270-I273 HydrophobicContact CE1-CD1 3.64Å; Y270-I273 HydrophobicContact CE2-CD1 4.18Å; Y270-I273 HydrophobicContact CG-CD1 4.48Å; Y270-I273 PolarHBondContact O-N 3.13Å; S271-I273 PolarHBondContact O-N 3.1Å; I273-I276 HydrophobicContact CB-CD1 4.28Å; I273-I276 HydrophobicContact CB-CG2 4.37Å; I273-I276 HydrophobicContact CG2-CG2 3.88Å
274	K	69.1	Low	81.7	Confident	145 Å²	145	45.3 Å²	45.3	63%	0.63	21%	0.212	S	C	*	.	S	Bend	trans	-82.3	152.9	178	-64.1	-166.3	173.7	-158.1	0	111.4	E522	K274-E522 IonicContact NZ-OE1 2.67Å; K274-E522 IonicContact NZ-OE2 3.37Å; K274-E522 PolarHBondContact NZ-OE2 2.83Å
275	N	75.9	Confident	81.8	Confident	70 Å²	70	45.6 Å²	45.6	37%	0.374	21%	0.214	S	C	.	.	S	Bend	trans	62.7	38.7	175.4	-53.3	-29.7	0	0	0	114.8	Q348	N275-Q348 HydrophobicContact CB-CB 4.42Å; N275-Q348 WeakPolarHBondContact O-CB 3.28Å; N275-Q348 PolarHBondContact O-N 3Å
276	I	81	Confident	82.2	Confident	8 Å²	8	42.5 Å²	42.5	4%	0.041	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	153.3	170.9	61.5	175.9	0	0	0	109.9	Y270 I273 F278 V345 L346 Q348	Y270-I276 HydrophobicContact CD1-CD1 3.68Å; Y270-I276 HydrophobicContact CE1-CD1 4.13Å; I273-I276 HydrophobicContact CB-CD1 4.28Å; I273-I276 HydrophobicContact CB-CG2 4.37Å; I273-I276 HydrophobicContact CG2-CG2 3.88Å; I276-F278 HydrophobicContact CD1-CE1 4.28Å; I276-F278 HydrophobicContact CD1-CE2 3.81Å; I276-F278 HydrophobicContact CD1-CZ 3.39Å; I276-F278 HydrophobicContact CG1-CE2 3.98Å; I276-F278 HydrophobicContact CG1-CZ 4.08Å; I276-V345 HydrophobicContact CB-CG1 4.19Å; I276-V345 HydrophobicContact CD1-CG1 4.48Å; I276-V345 HydrophobicContact CG2-CG1 4.17Å; I276-L346 CarbonylContact C-O 3.54Å; I276-L346 WeakPolarHBondContact CA-O 3.02Å; I276-Q348 PolarHBondContact O-NE2 3.41Å
277	S	83	Confident	82.4	Confident	6 Å²	6	40.9 Å²	40.9	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	155.6	171.6	53.2	0	0	0	0	109	Y214 L346	Y214-S277 CarbonylContact O-C 3.59Å; Y214-S277 VanDerWaalsContact O-CA 3.27Å; Y214-S277 WeakPolarHBondContact O-CA 3.46Å; Y214-S277 WeakPolarHBondContact O-CB 3.14Å; S277-L346 PolarHBondContact N-O 3.02Å; S277-L346 PolarHBondContact O-N 3.01Å; S277-L346 WeakPolarHBondContact OG-CB 3.26Å; S277-L346 PolarHBondContact OG-O 3.08Å
278	F	85.6	Confident	82.8	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.8	-175.9	-56.8	-95.6	0	0	0	110.4	Y214 T217 V220 V267 I276 I343 Y344 V345	Y214-F278 WeakPolarHBondContact CD2-O 3.13Å; Y214-F278 PolarHBondContact N-O 3.08Å; Y214-F278 PolarHBondContact O-N 3.47Å; T217-F278 VanDerWaalsContact CA-CE2 3.42Å; T217-F278 HydrophobicContact CG2-CE1 4.4Å; T217-F278 HydrophobicContact CG2-CE2 3.89Å; T217-F278 HydrophobicContact CG2-CZ 3.57Å; T217-F278 WeakPolarHBondContact OG1-CE2 3.3Å; T217-F278 WeakPolarHBondContact OG1-CZ 3.4Å; V220-F278 HydrophobicContact CG2-CB 3.58Å; V220-F278 HydrophobicContact CG2-CD2 3.95Å; V220-F278 HydrophobicContact CG2-CG 3.84Å; V267-F278 HydrophobicContact CG1-CE1 4.31Å; I276-F278 HydrophobicContact CD1-CE1 4.28Å; I276-F278 HydrophobicContact CD1-CE2 3.81Å; I276-F278 HydrophobicContact CD1-CZ 3.39Å; I276-F278 HydrophobicContact CG1-CE2 3.98Å; I276-F278 HydrophobicContact CG1-CZ 4.08Å; F278-I343 HydrophobicContact CB-CG2 4.25Å; F278-I343 HydrophobicContact CD1-CG2 3.64Å; F278-I343 HydrophobicContact CG-CG2 4.39Å; F278-Y344 VanDerWaalsContact CA-O 3.28Å; F278-Y344 WeakPolarHBondContact CA-O 3.43Å; F278-V345 HydrophobicContact CD1-CG2 4.15Å; F278-V345 HydrophobicContact CE1-CG2 3.93Å
279	M	84.4	Confident	83.3	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.5	167.5	178	-176.8	68.9	0	0	108.9	V209 I343 Y344 L346 I361 Q362 V365	V209-M279 HydrophobicContact CG1-SD 4.46Å; M279-I343 WeakPolarHBondContact O-CA 3.4Å; M279-Y344 HydrophobicContact CE-CD2 3.74Å; M279-Y344 HydrophobicContact CE-CE2 4.37Å; M279-Y344 HydrophobicContact CE-CG 3.87Å; M279-Y344 PolarHBondContact N-O 2.7Å; M279-Y344 PolarHBondContact O-N 3.12Å; M279-L346 HydrophobicContact CB-CD1 4.02Å; M279-I361 HydrophobicContact CE-CG2 3.52Å; M279-I361 HydrophobicContact SD-CG2 3.56Å; M279-I361 VanDerWaalsContact SD-CG2 3.56Å; M279-Q362 HydrophobicContact SD-CG 4.19Å; M279-V365 HydrophobicContact CE-CB 3.75Å; M279-V365 HydrophobicContact CE-CG1 3.93Å; M279-V365 HydrophobicContact CE-CG2 3.47Å; M279-V365 VanDerWaalsContact CE-CG2 3.47Å
280	R	86.9	Confident	84	Confident	13 Å²	13	34.7 Å²	34.7	5%	0.049	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.2	-174.7	-179.2	-175.2	-179.6	-149.3	-4.5	109.5	S210 Y214 E223 E227 E341 L342	S210-R280 WeakPolarHBondContact CB-O 3.03Å; S210-R280 PolarHBondContact N-O 3.5Å; S210-R280 PolarHBondContact OG-N 2.91Å; S210-R280 VanDerWaalsContact OG-N 3.11Å; S210-R280 PolarHBondContact OG-O 3.25Å; Y214-R280 HydrophobicContact CE2-CB 3.97Å; E223-R280 IonicContact OE1-NH1 3.89Å; E223-R280 PolarHBondContact OE1-NH1 3.03Å; E227-R280 IonicContact OE1-CZ 2.83Å; E227-R280 VanDerWaalsContact OE1-CZ 3.29Å; E227-R280 IonicContact OE1-NH1 3.66Å; E227-R280 PolarHBondContact OE1-NH1 3.32Å; E227-R280 IonicContact OE1-NH2 3.33Å; E227-R280 PolarHBondContact OE1-NH2 2.85Å; E227-R280 IonicContact OE2-CZ 2.68Å; E227-R280 IonicContact OE2-NH1 3.24Å; E227-R280 IonicContact OE2-NH2 3.46Å; E227-R280 PolarHBondContact OE2-NH2 3.1Å; R280-E341 IonicContact CZ-OE1 3.44Å; R280-E341 IonicContact NE-OE1 3.49Å; R280-E341 PolarHBondContact NE-OE1 3.32Å; R280-E341 IonicContact NH2-OE1 3.74Å; R280-E341 PolarHBondContact NH2-OE1 3.11Å; R280-E341 IonicContact NH2-OE2 3.47Å; R280-L342 CarbonylContact C-O 3.45Å; R280-L342 WeakPolarHBondContact CA-O 3.4Å
281	V	86	Confident	84.9	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.1	174.8	-178.5	0	0	0	0	108.4	V209 Y340 E341 L342 Y344 V365	V209-V281 HydrophobicContact CG1-CG2 4.16Å; V209-V281 HydrophobicContact CG2-CG1 4.1Å; V209-V281 HydrophobicContact CG2-CG2 4.17Å; V281-Y340 HydrophobicContact CG1-CE2 4.26Å; V281-E341 CarbonylContact O-C 3.52Å; V281-E341 WeakPolarHBondContact O-CA 3.4Å; V281-L342 HydrophobicContact CB-CB 4.25Å; V281-L342 PolarHBondContact N-O 3.28Å; V281-L342 PolarHBondContact O-N 2.93Å; V281-Y344 HydrophobicContact CG2-CD2 4.28Å; V281-Y344 HydrophobicContact CG2-CE2 4.03Å; V281-V365 HydrophobicContact CG2-CG1 3.72Å
282	K	88.1	Confident	86.3	Confident	49 Å²	49	35.9 Å²	35.9	21%	0.213	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	123.4	-178.9	-175.9	179.1	-177.1	177.2	0	109	T208 E227 E339 Y340	T208-K282 PolarHBondContact N-O 2.96Å; T208-K282 PolarHBondContact O-N 3.03Å; T208-K282 VanDerWaalsContact O-O 3.08Å; E227-K282 IonicContact OE2-NZ 3.58Å; K282-E339 VanDerWaalsContact CE-CD 3.46Å; K282-E339 WeakPolarHBondContact CE-OE2 3.42Å; K282-E339 IonicContact NZ-OE2 3.76Å; K282-E339 PolarHBondContact NZ-OE2 3.36Å; K282-Y340 WeakPolarHBondContact CA-O 3.23Å
283	G	87.8	Confident	87.7	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.8	172.7	0	0	0	0	0	110.8	E206 E339 Y340	E206-G283 CarbonylContact O-C 3.55Å; G283-E339 CarbonylContact O-C 3.56Å; G283-E339 VanDerWaalsContact O-CA 3.27Å; G283-E339 WeakPolarHBondContact O-CA 3.36Å; G283-Y340 PolarHBondContact N-O 2.83Å; G283-Y340 PolarHBondContact O-N 2.9Å
284	K	90.4	Very high	88.7	Confident	33 Å²	33	30.6 Å²	30.6	14%	0.143	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	130.8	-179.2	-177	177	173.8	172.4	0	109.6	E206 G338 L456	E206-K284 PolarHBondContact N-O 3.09Å; E206-K284 PolarHBondContact O-N 2.85Å; E206-K284 VanDerWaalsContact O-O 3.13Å; K284-G338 WeakPolarHBondContact CA-O 3.4Å; K284-L456 HydrophobicContact CD-CD1 4.35Å; K284-L456 HydrophobicContact CG-CD1 3.95Å
285	V	91.7	Very high	89.6	Confident	6 Å²	6	29.2 Å²	29.2	4%	0.036	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	95.3	173.1	179.8	0	0	0	0	106.7	I205 L287 G337 G338 W445 I449	I205-V285 HydrophobicContact CG1-CG1 4.35Å; I205-V285 HydrophobicContact CG1-CG2 4.5Å; I205-V285 HydrophobicContact CG2-CG2 4.43Å; V285-L287 HydrophobicContact CG1-CD2 3.98Å; V285-G337 CarbonylContact O-C 3.58Å; V285-G337 VanDerWaalsContact O-CA 3.23Å; V285-G337 WeakPolarHBondContact O-CA 3.49Å; V285-G338 PolarHBondContact N-O 2.97Å; V285-G338 PolarHBondContact O-N 2.92Å; V285-W445 HydrophobicContact CG2-CH2 4.29Å; V285-W445 HydrophobicContact CG2-CZ3 3.99Å; V285-I449 HydrophobicContact CB-CD1 3.81Å; V285-I449 HydrophobicContact CG1-CD1 4.02Å; V285-I449 HydrophobicContact CG2-CD1 4.31Å
286	Q	93.6	Very high	90.2	Very high	8 Å²	8	32.5 Å²	32.5	4%	0.037	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	132.8	170.4	-176.2	-172.1	-64.2	0	0	108.2	E202 T203 V204 K335 L456	E202-Q286 CarbonylContact O-C 3.24Å; E202-Q286 PolarHBondContact O-NE2 2.95Å; E202-Q286 PolarHBondContact OE2-NE2 2.95Å; T203-Q286 CarbonylContact C-O 3.58Å; T203-Q286 VanDerWaalsContact CA-O 3.23Å; T203-Q286 WeakPolarHBondContact CA-O 3.48Å; V204-Q286 HydrophobicContact CB-CB 4.14Å; V204-Q286 PolarHBondContact N-O 3.02Å; V204-Q286 WeakPolarHBondContact O-CB 3.46Å; V204-Q286 PolarHBondContact O-N 3.2Å; Q286-K335 HydrophobicContact CG-CB 4.48Å; Q286-K335 VanDerWaalsContact OE1-CD 3.24Å; Q286-L456 HydrophobicContact CB-CD1 4.3Å
287	L	91.9	Very high	90.8	Very high	16 Å²	16	33.9 Å²	33.9	8%	0.084	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-33.7	174.8	-67.8	-170.4	0	0	0	112.8	E202 T203 V285 S336 I449 A450	E202-L287 CarbonylContact C-O 3.42Å; E202-L287 PolarHBondContact N-O 3.46Å; E202-L287 CarbonylContact O-C 3.57Å; E202-L287 VanDerWaalsContact O-C 3.27Å; T203-L287 HydrophobicContact CG2-CD2 4.19Å; V285-L287 HydrophobicContact CG1-CD2 3.98Å; L287-S336 PolarHBondContact N-O 2.92Å; L287-I449 HydrophobicContact CD1-CB 3.89Å; L287-I449 HydrophobicContact CD1-CG2 3.47Å; L287-I449 VanDerWaalsContact CD1-CG2 3.47Å; L287-I449 HydrophobicContact CG-CG2 3.97Å; L287-A450 HydrophobicContact CD1-CB 4.16Å
288	S	94.2	Very high	91.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	162.6	-179	74.5	0	0	0	0	113.2	N200 K335 S336	N200-S288 CarbonylContact O-C 3.42Å; N200-S288 WeakPolarHBondContact O-CA 3.35Å; N200-S288 WeakPolarHBondContact O-CB 3.3Å; S288-K335 WeakPolarHBondContact O-CA 3.34Å; S288-S336 PolarHBondContact N-O 2.48Å; S288-S336 PolarHBondContact O-N 2.74Å; S288-S336 PolarHBondContact OG-OG 3.02Å
289	T	96.6	Very high	91.8	Very high	30 Å²	30	36 Å²	36	18%	0.184	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.6	167	63.7	0	0	0	0	109.1	L199 N200 G334 K335	L199-T289 WeakPolarHBondContact CA-O 3.46Å; N200-T289 PolarHBondContact N-O 3.15Å; N200-T289 PolarHBondContact O-N 2.74Å; T289-G334 WeakPolarHBondContact CA-O 3.29Å; T289-K335 HydrophobicContact CG2-CG 4.07Å
290	Y	96.4	Very high	92.2	Very high	10 Å²	10	36.8 Å²	36.8	4%	0.039	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.9	-179.9	68.9	-96.8	0	0	0	112	A153 G154 V198 M292 T331 S333 G334	A153-Y290 HydrophobicContact CB-CD1 4.36Å; A153-Y290 HydrophobicContact CB-CD2 3.77Å; A153-Y290 HydrophobicContact CB-CE1 4.45Å; A153-Y290 HydrophobicContact CB-CE2 3.89Å; A153-Y290 HydrophobicContact CB-CG 4.02Å; G154-Y290 PolarHBondContact N-OH 2.88Å; V198-Y290 CarbonylContact O-C 3.54Å; V198-Y290 VanDerWaalsContact O-CA 3.28Å; V198-Y290 WeakPolarHBondContact O-CA 3.44Å; Y290-M292 HydrophobicContact CD2-CG 4.46Å; Y290-M292 HydrophobicContact CD2-SD 4.08Å; Y290-M292 HydrophobicContact CE2-CG 4.36Å; Y290-M292 HydrophobicContact CE2-SD 4.2Å; Y290-T331 HydrophobicContact CE2-CG2 4.19Å; Y290-T331 WeakPolarHBondContact OH-CG2 3.03Å; Y290-S333 WeakPolarHBondContact O-CA 3.25Å; Y290-G334 PolarHBondContact N-O 2.69Å; Y290-G334 PolarHBondContact O-N 3.27Å
291	R	97.2	Very high	92.4	Very high	96 Å²	96	37.2 Å²	37.2	36%	0.362	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	124	172.5	178.2	172	-177.4	87.3	3	110	G197 V198 R332 S333	G197-R291 WeakPolarHBondContact CA-O 3.37Å; G197-R291 PolarHBondContact N-O 2.73Å; V198-R291 HydrophobicContact CB-CB 4.37Å; V198-R291 PolarHBondContact N-O 2.95Å; V198-R291 VanDerWaalsContact N-O 3.09Å; V198-R291 PolarHBondContact O-N 2.65Å; R291-R332 WeakPolarHBondContact CA-O 3.44Å; R291-S333 WeakPolarHBondContact CG-OG 3.13Å; R291-S333 PolarHBondContact NH1-OG 3.11Å; R291-S333 VanDerWaalsContact NH1-OG 3.13Å
292	M	97.4	Very high	92.6	Very high	3 Å²	3	41 Å²	41	2%	0.015	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	152.6	174.8	-55	-54.6	-78.1	0	0	110.9	A153 F169 N195 V196 Y290 R332	A153-M292 HydrophobicContact CB-SD 3.74Å; F169-M292 HydrophobicContact CB-CE 4.46Å; F169-M292 HydrophobicContact CD1-CE 4.05Å; F169-M292 HydrophobicContact CD2-CE 3.74Å; F169-M292 HydrophobicContact CE1-CE 4.18Å; F169-M292 HydrophobicContact CE2-CE 3.9Å; F169-M292 HydrophobicContact CG-CE 3.82Å; F169-M292 HydrophobicContact CZ-CE 4.1Å; N195-M292 HydrophobicContact CB-CE 3.67Å; N195-M292 CarbonylContact O-C 3.6Å; N195-M292 WeakPolarHBondContact O-CA 3.08Å; V196-M292 HydrophobicContact CG2-SD 4.17Å; Y290-M292 HydrophobicContact CD2-CG 4.46Å; Y290-M292 HydrophobicContact CD2-SD 4.08Å; Y290-M292 HydrophobicContact CE2-CG 4.36Å; Y290-M292 HydrophobicContact CE2-SD 4.2Å; M292-R332 WeakPolarHBondContact CG-O 3.37Å; M292-R332 PolarHBondContact N-O 2.9Å
293	R	95.6	Very high	92.9	Very high	65 Å²	65	38.7 Å²	38.7	25%	0.245	20%	0.2	C	C	.	.			trans	-65.1	150.2	166.8	-69	-172.3	-177.9	-86.2	-13	109.9	W194 N195 V297	W194-R293 WeakPolarHBondContact O-CD 3.28Å; W194-R293 PolarHBondContact O-NE 2.85Å; N195-R293 PolarHBondContact O-N 2.65Å; R293-V297 HydrophobicContact CB-CG1 4.15Å; R293-V297 VanDerWaalsContact O-CG1 3.31Å; R293-V297 WeakPolarHBondContact O-CG1 3.24Å
294	T	89.8	Confident	93	Very high	83 Å²	83	39.5 Å²	39.5	51%	0.509	20%	0.204	S	C	.	.	S	Bend	trans	-92.5	-26.2	-179.6	53.4	0	0	0	0	113.1
295	N	87.8	Confident	92.9	Very high	116 Å²	116	41 Å²	41	62%	0.62	21%	0.212	S	C	*	.	S	Bend	trans	-130.3	158.3	-176.5	-58.7	-31.1	0	0	0	109.8	V297	N295-V297 PolarHBondContact O-N 3.46Å
296	D	88.4	Confident	92.9	Very high	138 Å²	138	41.6 Å²	41.6	74%	0.738	22%	0.215	S	C	*	.	S	Bend	trans	52.9	35.9	178	-52.3	-34.9	0	0	0	113	W194	W194-D296 HydrophobicContact CZ2-CB 4.46Å; W194-D296 PolarHBondContact NE1-O 3.31Å
297	V	93.8	Very high	92.9	Very high	38 Å²	38	41.4 Å²	41.4	23%	0.23	21%	0.214	C	C	.	.			trans	-70.6	143	176	-65.7	0	0	0	0	110.2	F169 R293 N295 V299 L466	F169-V297 HydrophobicContact CD1-CB 4.35Å; F169-V297 HydrophobicContact CE1-CB 3.92Å; F169-V297 HydrophobicContact CE1-CG1 4.14Å; F169-V297 HydrophobicContact CE1-CG2 4.13Å; R293-V297 HydrophobicContact CB-CG1 4.15Å; R293-V297 VanDerWaalsContact O-CG1 3.31Å; R293-V297 WeakPolarHBondContact O-CG1 3.24Å; N295-V297 PolarHBondContact O-N 3.46Å; V297-V299 HydrophobicContact CG2-CG1 4.4Å; V297-L466 HydrophobicContact CG2-CD2 4.15Å
298	N	94.4	Very high	92.6	Very high	37 Å²	37	45 Å²	45	20%	0.198	23%	0.227	C	C	.	.			trans	-95.7	112.5	173.3	-173.6	-72.5	0	0	0	108.7	N170 F173 N195	N170-N298 WeakPolarHBondContact CB-OD1 3.47Å; N170-N298 PolarHBondContact N-O 2.99Å; F173-N298 HydrophobicContact CB-CB 4.26Å; F173-N298 HydrophobicContact CD1-CB 3.31Å; F173-N298 HydrophobicContact CE1-CB 3.79Å; F173-N298 HydrophobicContact CG-CB 3.94Å; N195-N298 PolarHBondContact ND2-O 2.86Å; N195-N298 PolarHBondContact OD1-N 3.36Å; N195-N298 PolarHBondContact OD1-O 2.84Å
299	V	94.6	Very high	92.2	Very high	14 Å²	14	46.5 Å²	46.5	9%	0.085	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-95.3	151	178.9	-67.6	0	0	0	0	109.9	P168 V297 F303 L304 L466	P168-V299 CarbonylContact O-C 3.23Å; P168-V299 WeakPolarHBondContact O-CA 3.37Å; P168-V299 WeakPolarHBondContact O-CB 3.29Å; V297-V299 HydrophobicContact CG2-CG1 4.4Å; V299-F303 HydrophobicContact CB-CD1 4.05Å; V299-F303 HydrophobicContact CG1-CD1 4.44Å; V299-F303 HydrophobicContact CG2-CD1 4.32Å; V299-L304 HydrophobicContact CG2-CD1 3.74Å; V299-L304 HydrophobicContact CG2-CD2 3.61Å; V299-L304 HydrophobicContact CG2-CG 3.56Å; V299-L466 HydrophobicContact CG1-CB 4.01Å
300	A	93.5	Very high	91.9	Very high	16 Å²	16	45.1 Å²	45.1	13%	0.132	23%	0.229	C	C	.	.			trans	-62.4	144.5	180	0	0	0	0	0	111.7	E125 P168 N170 D302 F303 L304	E125-A300 WeakPolarHBondContact OE1-CA 3.35Å; P168-A300 PolarHBondContact O-N 3.3Å; N170-A300 HydrophobicContact CB-CB 4.43Å; A300-D302 VanDerWaalsContact C-N 3.31Å; A300-D302 PolarHBondContact O-N 2.94Å; A300-F303 HydrophobicContact CB-CB 4.36Å; A300-F303 WeakPolarHBondContact O-CB 3.41Å; A300-F303 PolarHBondContact O-N 3.3Å; A300-F303 VanDerWaalsContact O-N 3.11Å; A300-L304 PolarHBondContact O-N 2.99Å
301	E	90.7	Very high	91.5	Very high	21 Å²	21	45.2 Å²	45.2	10%	0.098	23%	0.23	C	C	.	.	H	α-helix	trans	-59.2	-42	177.6	-77.6	-156.8	171.9	0	0	112.1	T106 L108 T110 E125 F303 L304 M305	T106-E301 WeakPolarHBondContact CB-OE2 3.23Å; T106-E301 WeakPolarHBondContact CG2-OE1 3.14Å; T106-E301 VanDerWaalsContact CG2-OE2 3.24Å; T106-E301 WeakPolarHBondContact CG2-OE2 3.48Å; T106-E301 PolarHBondContact OG1-OE1 3.28Å; T106-E301 PolarHBondContact OG1-OE2 2.99Å; L108-E301 HydrophobicContact CD1-CB 3.69Å; L108-E301 HydrophobicContact CD1-CG 3.86Å; L108-E301 WeakPolarHBondContact CD1-O 3.18Å; T110-E301 HydrophobicContact CG2-CG 4.28Å; T110-E301 WeakPolarHBondContact CG2-OE1 3.37Å; T110-E301 PolarHBondContact OG1-OE1 3.26Å; E125-E301 HydrophobicContact CB-CG 4.34Å; E125-E301 HydrophobicContact CG-CG 4.2Å; E125-E301 PolarHBondContact OE1-N 2.92Å; E301-F303 VanDerWaalsContact C-N 3.27Å; E301-F303 PolarHBondContact O-N 2.82Å; E301-L304 PolarHBondContact O-N 2.82Å; E301-L304 VanDerWaalsContact O-N 3.1Å; E301-M305 WeakPolarHBondContact O-CG 3.28Å; E301-M305 PolarHBondContact O-N 3.44Å
302	D	90.4	Very high	91.1	Very high	80 Å²	80	43.9 Å²	43.9	43%	0.428	23%	0.23	S	C	.	.	H	α-helix	trans	-57	-39.2	175.1	-82.1	-14.5	0	0	0	112.9	A300 M305 H306 Y326	A300-D302 VanDerWaalsContact C-N 3.31Å; A300-D302 PolarHBondContact O-N 2.94Å; D302-M305 PolarHBondContact O-N 2.86Å; D302-M305 WeakPolarHBondContact OD1-CE 3.1Å; D302-H306 WeakPolarHBondContact O-CB 3.2Å; D302-H306 PolarHBondContact O-CD2 2.62Å; D302-H306 VanDerWaalsContact O-CG 3.24Å; D302-H306 PolarHBondContact O-N 2.73Å; D302-Y326 PolarHBondContact O-OH 2.94Å
303	F	93.9	Very high	90.7	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-47.5	175.8	173.9	-92.7	0	0	0	110.7	P168 V299 A300 E301 M305 H306 V307 F322 Y326 I463 L466	P168-F303 HydrophobicContact CB-CD2 3.49Å; P168-F303 VanDerWaalsContact CB-CD2 3.49Å; P168-F303 HydrophobicContact CB-CE2 3.67Å; P168-F303 HydrophobicContact CB-CG 3.98Å; P168-F303 HydrophobicContact CB-CZ 4.34Å; V299-F303 HydrophobicContact CB-CD1 4.05Å; V299-F303 HydrophobicContact CG1-CD1 4.44Å; V299-F303 HydrophobicContact CG2-CD1 4.32Å; A300-F303 HydrophobicContact CB-CB 4.36Å; A300-F303 WeakPolarHBondContact O-CB 3.41Å; A300-F303 PolarHBondContact O-N 3.3Å; A300-F303 VanDerWaalsContact O-N 3.11Å; E301-F303 VanDerWaalsContact C-N 3.27Å; E301-F303 PolarHBondContact O-N 2.82Å; F303-M305 PolarHBondContact O-N 2.92Å; F303-H306 PolarHBondContact O-N 2.77Å; F303-V307 HydrophobicContact CD1-CG2 4.22Å; F303-V307 HydrophobicContact CE1-CG2 3.84Å; F303-V307 HydrophobicContact CE2-CG2 4.41Å; F303-V307 HydrophobicContact CZ-CG2 3.94Å; F303-V307 WeakPolarHBondContact O-CG2 3.27Å; F303-V307 PolarHBondContact O-N 3.44Å; F303-F322 HydrophobicContact CD2-CE2 4.49Å; F303-F322 AromaticContact CD2-CZ 3.92Å; F303-F322 HydrophobicContact CD2-CZ 3.92Å; F303-F322 HydrophobicContact CE2-CE1 4.11Å; F303-F322 HydrophobicContact CE2-CE2 4.36Å; F303-F322 AromaticContact CE2-CZ 3.41Å; F303-F322 HydrophobicContact CE2-CZ 3.41Å; F303-F322 VanDerWaalsContact CE2-CZ 3.41Å; F303-F322 AromaticContact CZ-CZ 3.98Å; F303-F322 HydrophobicContact CZ-CZ 3.98Å; F303-Y326 WeakPolarHBondContact CA-OH 2.98Å; F303-Y326 HydrophobicContact CB-CE1 4.13Å; F303-Y326 AromaticContact CD2-CD1 3.78Å; F303-Y326 HydrophobicContact CD2-CD1 3.78Å; F303-Y326 HydrophobicContact CD2-CD2 4.21Å; F303-Y326 AromaticContact CD2-CE1 3.78Å; F303-Y326 HydrophobicContact CD2-CE1 3.78Å; F303-Y326 HydrophobicContact CD2-CE2 4.17Å; F303-Y326 HydrophobicContact CD2-CG 4.02Å; F303-Y326 AromaticContact CD2-CZ 3.98Å; F303-Y326 HydrophobicContact CE2-CD1 4.43Å; F303-Y326 HydrophobicContact CE2-CG 4.36Å; F303-Y326 HydrophobicContact CG-CE1 4.46Å; F303-Y326 PolarHBondContact N-OH 3.05Å; F303-I463 HydrophobicContact CE2-CD1 4.18Å; F303-I463 HydrophobicContact CE2-CG1 4.01Å; F303-I463 HydrophobicContact CZ-CG1 4.32Å; F303-L466 HydrophobicContact CE1-CB 3.94Å; F303-L466 HydrophobicContact CZ-CB 3.89Å; F303-L466 HydrophobicContact CZ-CD1 4.46Å
304	L	91.3	Very high	90.5	Very high	18 Å²	18	46.4 Å²	46.4	9%	0.094	26%	0.256	C	S	.	.	H	α-helix	trans	-64.5	-39.5	177.8	-70.2	178.7	0	0	0	112.4	L108 V299 A300 E301 V307 R308 P468	L108-L304 HydrophobicContact CD1-CB 4.03Å; V299-L304 HydrophobicContact CG2-CD1 3.74Å; V299-L304 HydrophobicContact CG2-CD2 3.61Å; V299-L304 HydrophobicContact CG2-CG 3.56Å; A300-L304 PolarHBondContact O-N 2.99Å; E301-L304 PolarHBondContact O-N 2.82Å; E301-L304 VanDerWaalsContact O-N 3.1Å; L304-V307 PolarHBondContact O-N 3.4Å; L304-R308 WeakPolarHBondContact O-CB 3.34Å; L304-R308 VanDerWaalsContact O-CG 3.27Å; L304-R308 WeakPolarHBondContact O-CG 3.27Å; L304-R308 PolarHBondContact O-N 2.84Å; L304-P468 HydrophobicContact CD2-CG 3.82Å
305	M	88.7	Confident	90.6	Very high	64 Å²	64	43 Å²	43	32%	0.315	24%	0.235	S	C	.	.	H	α-helix	trans	-60.2	-46.8	174	-74.6	-162.8	-72.7	0	0	111.1	L108 E301 D302 F303 R308 S309	L108-M305 HydrophobicContact CD1-CG 3.71Å; L108-M305 HydrophobicContact CD2-CG 3.83Å; L108-M305 HydrophobicContact CG-CG 3.74Å; E301-M305 WeakPolarHBondContact O-CG 3.28Å; E301-M305 PolarHBondContact O-N 3.44Å; D302-M305 PolarHBondContact O-N 2.86Å; D302-M305 WeakPolarHBondContact OD1-CE 3.1Å; F303-M305 PolarHBondContact O-N 2.92Å; M305-R308 PolarHBondContact O-N 3.33Å; M305-S309 WeakPolarHBondContact O-CB 3.15Å; M305-S309 PolarHBondContact O-N 2.88Å
306	H	91.3	Very high	90.8	Very high	19 Å²	19	38.8 Å²	38.8	9%	0.088	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-44.8	177.5	-68.8	175.4	0	0	0	111.3	L247 G248 D302 F303 R308 S309 L310 F322 Y326	L247-H306 HydrophobicContact CB-CB 4.44Å; L247-H306 HydrophobicContact CD2-CB 4.08Å; L247-H306 PolarHBondContact O-NE2 2.8Å; G248-H306 VanDerWaalsContact CA-CE1 3.44Å; G248-H306 WeakPolarHBondContact CA-CE1 3.48Å; G248-H306 PolarHBondContact N-CE1 2.91Å; D302-H306 WeakPolarHBondContact O-CB 3.2Å; D302-H306 PolarHBondContact O-CD2 2.62Å; D302-H306 VanDerWaalsContact O-CG 3.24Å; D302-H306 PolarHBondContact O-N 2.73Å; F303-H306 PolarHBondContact O-N 2.77Å; H306-R308 PolarHBondContact O-N 2.63Å; H306-S309 PolarHBondContact O-N 3.42Å; H306-S309 PolarHBondContact O-OG 2.95Å; H306-L310 PolarHBondContact O-N 3.12Å; H306-F322 HydrophobicContact CB-CD2 4.15Å; H306-F322 HydrophobicContact CB-CE2 4.03Å; H306-Y326 HydrophobicContact CB-CE2 3.99Å; H306-Y326 AromaticContact ND1-CE2 3.36Å; H306-Y326 WeakPolarHBondContact ND1-CE2 3.4Å; H306-Y326 AromaticContact ND1-CZ 3.63Å; H306-Y326 PolarHBondContact ND1-OH 3.35Å; H306-Y326 VanDerWaalsContact ND1-OH 3.09Å
307	V	92.1	Very high	91	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.024	18%	0.176	C	C	.	.	H	α-helix	trans	-58.3	-47.7	175.1	170.6	0	0	0	0	111.2	F303 L304 S309 L310 F322 I467 R477 F481	F303-V307 HydrophobicContact CD1-CG2 4.22Å; F303-V307 HydrophobicContact CE1-CG2 3.84Å; F303-V307 HydrophobicContact CE2-CG2 4.41Å; F303-V307 HydrophobicContact CZ-CG2 3.94Å; F303-V307 WeakPolarHBondContact O-CG2 3.27Å; F303-V307 PolarHBondContact O-N 3.44Å; L304-V307 PolarHBondContact O-N 3.4Å; V307-S309 VanDerWaalsContact C-N 3.26Å; V307-S309 PolarHBondContact O-N 2.8Å; V307-L310 WeakPolarHBondContact O-CB 3.33Å; V307-L310 PolarHBondContact O-N 3.47Å; V307-F322 HydrophobicContact CG2-CE2 3.56Å; V307-F322 HydrophobicContact CG2-CZ 3.62Å; V307-I467 HydrophobicContact CG1-CD1 4.32Å; V307-I467 HydrophobicContact CG1-CG1 4.21Å; V307-I467 HydrophobicContact CG1-CG2 4.35Å; V307-I467 HydrophobicContact CG2-CG1 4.48Å; V307-R477 PolarHBondContact O-NH1 3.29Å; V307-F481 HydrophobicContact CG1-CE2 4.38Å; V307-F481 HydrophobicContact CG2-CE2 4.42Å; V307-F481 HydrophobicContact CG2-CZ 4.4Å
308	R	86.7	Confident	90.9	Very high	92 Å²	92	31 Å²	31	35%	0.347	17%	0.168	S	C	.	.	H	α-helix	trans	-66.4	-27.4	179.7	-72.4	176.6	-177.3	-174.7	3.3	112.5	L304 M305 H306 L310 R477	L304-R308 WeakPolarHBondContact O-CB 3.34Å; L304-R308 VanDerWaalsContact O-CG 3.27Å; L304-R308 WeakPolarHBondContact O-CG 3.27Å; L304-R308 PolarHBondContact O-N 2.84Å; M305-R308 PolarHBondContact O-N 3.33Å; H306-R308 PolarHBondContact O-N 2.63Å; R308-L310 VanDerWaalsContact C-N 3.26Å; R308-L310 PolarHBondContact O-N 2.76Å; R308-R477 PolarHBondContact O-NH1 2.7Å; R308-R477 PolarHBondContact O-NH2 3.28Å
309	S	86.3	Confident	91	Very high	32 Å²	32	29.3 Å²	29.3	22%	0.224	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-10.9	177.5	81.5	0	0	0	0	114.5	T52 M305 H306 V307	T52-S309 WeakPolarHBondContact CG2-O 3.33Å; M305-S309 WeakPolarHBondContact O-CB 3.15Å; M305-S309 PolarHBondContact O-N 2.88Å; H306-S309 PolarHBondContact O-N 3.42Å; H306-S309 PolarHBondContact O-OG 2.95Å; V307-S309 VanDerWaalsContact C-N 3.26Å; V307-S309 PolarHBondContact O-N 2.8Å
310	L	89.6	Confident	91	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.155	C	C	.	.	S	Bend	trans	-73.8	144.4	177.1	-59.9	175.3	0	0	0	110.8	L247 H306 V307 R308 I318 Y319 F322 R477 F481	L247-L310 HydrophobicContact CD2-CD2 3.93Å; H306-L310 PolarHBondContact O-N 3.12Å; V307-L310 WeakPolarHBondContact O-CB 3.33Å; V307-L310 PolarHBondContact O-N 3.47Å; R308-L310 VanDerWaalsContact C-N 3.26Å; R308-L310 PolarHBondContact O-N 2.76Å; L310-I318 HydrophobicContact CD2-CD1 4.4Å; L310-I318 HydrophobicContact CD2-CG1 3.64Å; L310-Y319 HydrophobicContact CB-CE1 4.48Å; L310-Y319 HydrophobicContact CB-CE2 4.19Å; L310-Y319 HydrophobicContact CD1-CD1 4.06Å; L310-Y319 HydrophobicContact CD1-CE1 3.82Å; L310-F322 HydrophobicContact CD1-CD2 4.15Å; L310-F322 HydrophobicContact CD1-CG 4.43Å; L310-R477 PolarHBondContact O-NH1 2.75Å; L310-R477 PolarHBondContact O-NH2 2.82Å; L310-F481 HydrophobicContact CD1-CE1 3.87Å; L310-F481 HydrophobicContact CD1-CE2 3.7Å; L310-F481 HydrophobicContact CD1-CZ 3.17Å
311	P	88.8	Confident	91.1	Very high	11 Å²	11	27.9 Å²	27.9	7%	0.071	15%	0.149	C	C	.	.			trans	-70.4	148.5	173.7	30.3	-35.3	0	0	0	111.1	L57 A313 I318 Y319	L57-P311 HydrophobicContact CD1-CG 3.89Å; P311-A313 WeakPolarHBondContact CB-O 3.32Å; P311-A313 WeakPolarHBondContact CG-O 3.48Å; P311-I318 HydrophobicContact CG-CG2 3.77Å; P311-Y319 HydrophobicContact CG-CE2 4.31Å; P311-Y319 PolarHBondContact O-OH 2.87Å
312	L	87.6	Confident	91.3	Very high	68 Å²	68	27 Å²	27	36%	0.356	15%	0.145	S	C	.	.	S	Bend	trans	-72.2	-38	173.2	-60.6	-177.9	0	0	0	111.5	Y314 D473 T476 R477 N480	L312-Y314 PolarHBondContact O-N 2.92Å; L312-D473 HydrophobicContact CD1-CB 4.11Å; L312-D473 WeakPolarHBondContact CD1-OD2 3.46Å; L312-D473 HydrophobicContact CD2-CB 3.4Å; L312-D473 VanDerWaalsContact CD2-CB 3.4Å; L312-D473 HydrophobicContact CG-CB 4.41Å; L312-T476 HydrophobicContact CB-CG2 4.47Å; L312-R477 HydrophobicContact CD2-CG 4.21Å; L312-N480 PolarHBondContact O-ND2 3.44Å
313	A	88.9	Confident	91.5	Very high	78 Å²	78	23.2 Å²	23.2	65%	0.645	12%	0.124	S	C	*	.	S	Bend	trans	-68.5	123.9	166.2	0	0	0	0	0	108.6	P311 D315	P311-A313 WeakPolarHBondContact CB-O 3.32Å; P311-A313 WeakPolarHBondContact CG-O 3.48Å; A313-D315 PolarHBondContact O-N 3Å
314	Y	91.6	Very high	91.5	Very high	44 Å²	44	23.2 Å²	23.2	17%	0.173	12%	0.124	C	C	.	.			trans	-66.4	118.9	-176.9	178.8	-105.7	0	0	0	111.5	L312 K316 Y319 N480 R483 A484 D487	L312-Y314 PolarHBondContact O-N 2.92Å; Y314-K316 HydrophobicContact CE1-CB 4.42Å; Y314-Y319 HydrophobicContact CD2-CD2 4.14Å; Y314-Y319 HydrophobicContact CD2-CE2 4.29Å; Y314-Y319 HydrophobicContact CD2-CG 4.4Å; Y314-Y319 HydrophobicContact CE2-CD2 4.33Å; Y314-Y319 HydrophobicContact CE2-CG 4.22Å; Y314-N480 HydrophobicContact CD2-CB 4.05Å; Y314-R483 HydrophobicContact CE1-CG 4.17Å; Y314-R483 VanDerWaalsContact CE1-NE 3.32Å; Y314-R483 HydrophobicContact CE2-CG 4.31Å; Y314-A484 HydrophobicContact CE2-CB 3.97Å; Y314-A484 WeakPolarHBondContact OH-CA 3.42Å; Y314-D487 VanDerWaalsContact CE1-OD2 3.32Å; Y314-D487 WeakPolarHBondContact CE1-OD2 3.31Å; Y314-D487 VanDerWaalsContact CZ-OD2 3.32Å; Y314-D487 WeakPolarHBondContact OH-CB 3.42Å; Y314-D487 PolarHBondContact OH-OD2 2.94Å
315	D	91.8	Very high	91.5	Very high	10 Å²	10	22.9 Å²	22.9	5%	0.053	12%	0.123	C	C	.	.			trans	-121.2	127.8	162.8	175.9	-98.7	0	0	0	109.5	L57 S59 A313 G317 I318 Y319	L57-D315 HydrophobicContact CB-CB 4.34Å; L57-D315 HydrophobicContact CD1-CB 4.04Å; S59-D315 PolarHBondContact OG-OD2 2.88Å; A313-D315 PolarHBondContact O-N 3Å; D315-G317 PolarHBondContact O-N 3.09Å; D315-G317 PolarHBondContact OD1-N 3.13Å; D315-G317 VanDerWaalsContact OD1-N 3.09Å; D315-I318 HydrophobicContact CB-CG2 4.11Å; D315-I318 WeakPolarHBondContact O-CG2 2.98Å; D315-I318 PolarHBondContact OD1-N 2.99Å; D315-Y319 VanDerWaalsContact O-CD2 3.26Å; D315-Y319 WeakPolarHBondContact O-CD2 3.41Å
316	K	92.6	Very high	91.8	Very high	28 Å²	28	20 Å²	20	12%	0.122	11%	0.108	C	C	.	.	H	α-helix	trans	-61	-41.7	-172.8	-177.3	-174.7	-179.9	-175.1	0	113	R60 I77 Y314 Y319 F320 E491	R60-K316 PolarHBondContact O-NZ 3.37Å; I77-K316 HydrophobicContact CG2-CD 3.83Å; I77-K316 HydrophobicContact CG2-CG 4.08Å; Y314-K316 HydrophobicContact CE1-CB 4.42Å; K316-Y319 PolarHBondContact O-N 3.48Å; K316-F320 HydrophobicContact CD-CE1 4.38Å; K316-F320 HydrophobicContact CD-CE2 4.17Å; K316-F320 HydrophobicContact CD-CZ 3.92Å; K316-F320 HydrophobicContact CG-CD1 3.87Å; K316-F320 HydrophobicContact CG-CD2 4.22Å; K316-F320 HydrophobicContact CG-CE1 3.5Å; K316-F320 HydrophobicContact CG-CE2 3.91Å; K316-F320 HydrophobicContact CG-CG 4.21Å; K316-F320 HydrophobicContact CG-CZ 3.51Å; K316-F320 WeakPolarHBondContact O-CB 3.09Å; K316-F320 WeakPolarHBondContact O-CD1 3.44Å; K316-F320 VanDerWaalsContact O-CG 3.3Å; K316-F320 WeakPolarHBondContact O-CG 3.39Å; K316-F320 PolarHBondContact O-N 3.01Å; K316-E491 IonicContact NZ-OE1 3.44Å; K316-E491 IonicContact NZ-OE2 2.69Å; K316-E491 PolarHBondContact NZ-OE2 2.82Å
317	G	92.6	Very high	91.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.6	-45.5	-170.1	0	0	0	0	0	113.3	D315 F320 A321	D315-G317 PolarHBondContact O-N 3.09Å; D315-G317 PolarHBondContact OD1-N 3.13Å; D315-G317 VanDerWaalsContact OD1-N 3.09Å; G317-F320 PolarHBondContact O-N 2.8Å; G317-A321 PolarHBondContact O-N 3.48Å; G317-A321 VanDerWaalsContact O-N 3.15Å
318	I	92.3	Very high	92.1	Very high	14 Å²	14	18.9 Å²	18.9	7%	0.072	10%	0.103	C	C	.	.	H	α-helix	trans	-68.1	-37.2	178.6	-174	65.6	0	0	0	112.4	L57 R80 L247 L310 P311 D315 A321 F322	L57-I318 HydrophobicContact CD1-CB 4.37Å; L57-I318 HydrophobicContact CD1-CG2 3.98Å; R80-I318 VanDerWaalsContact NE-CD1 3.32Å; L247-I318 HydrophobicContact CD1-CD1 4.21Å; L247-I318 HydrophobicContact CD2-CD1 4.33Å; L247-I318 HydrophobicContact CG-CD1 4.24Å; L310-I318 HydrophobicContact CD2-CD1 4.4Å; L310-I318 HydrophobicContact CD2-CG1 3.64Å; P311-I318 HydrophobicContact CG-CG2 3.77Å; D315-I318 HydrophobicContact CB-CG2 4.11Å; D315-I318 WeakPolarHBondContact O-CG2 2.98Å; D315-I318 PolarHBondContact OD1-N 2.99Å; I318-A321 PolarHBondContact O-N 2.81Å; I318-F322 PolarHBondContact O-N 3.05Å
319	Y	95.4	Very high	92.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-69.7	-37.8	175.1	-81.4	-101	0	0	0	111.5	L310 P311 Y314 D315 K316 A321 F322 L323 N480 F481 A484	L310-Y319 HydrophobicContact CB-CE1 4.48Å; L310-Y319 HydrophobicContact CB-CE2 4.19Å; L310-Y319 HydrophobicContact CD1-CD1 4.06Å; L310-Y319 HydrophobicContact CD1-CE1 3.82Å; P311-Y319 HydrophobicContact CG-CE2 4.31Å; P311-Y319 PolarHBondContact O-OH 2.87Å; Y314-Y319 HydrophobicContact CD2-CD2 4.14Å; Y314-Y319 HydrophobicContact CD2-CE2 4.29Å; Y314-Y319 HydrophobicContact CD2-CG 4.4Å; Y314-Y319 HydrophobicContact CE2-CD2 4.33Å; Y314-Y319 HydrophobicContact CE2-CG 4.22Å; D315-Y319 VanDerWaalsContact O-CD2 3.26Å; D315-Y319 WeakPolarHBondContact O-CD2 3.41Å; K316-Y319 PolarHBondContact O-N 3.48Å; Y319-A321 VanDerWaalsContact C-N 3.28Å; Y319-A321 PolarHBondContact O-N 3.42Å; Y319-F322 WeakPolarHBondContact O-CB 3.33Å; Y319-F322 PolarHBondContact O-N 2.9Å; Y319-L323 WeakPolarHBondContact O-CG 3.34Å; Y319-L323 PolarHBondContact O-N 2.81Å; Y319-L323 VanDerWaalsContact O-N 3.09Å; Y319-N480 HydrophobicContact CD1-CB 4.33Å; Y319-N480 HydrophobicContact CE1-CB 3.45Å; Y319-N480 VanDerWaalsContact CE1-CB 3.45Å; Y319-N480 HydrophobicContact CE2-CB 4.38Å; Y319-N480 VanDerWaalsContact CZ-CB 3.49Å; Y319-N480 WeakPolarHBondContact OH-CB 3.18Å; Y319-N480 PolarHBondContact OH-ND2 2.87Å; Y319-F481 AromaticContact CD1-CD1 3.93Å; Y319-F481 HydrophobicContact CD1-CD1 3.93Å; Y319-F481 HydrophobicContact CD1-CE1 4Å; Y319-F481 HydrophobicContact CD1-CG 4.29Å; Y319-F481 HydrophobicContact CD1-CZ 4.47Å; Y319-F481 HydrophobicContact CE1-CD1 4.32Å; Y319-F481 HydrophobicContact CE1-CD2 4.25Å; Y319-F481 HydrophobicContact CE1-CE1 4.39Å; Y319-F481 HydrophobicContact CE1-CE2 4.35Å; Y319-F481 HydrophobicContact CE1-CG 4.26Å; Y319-F481 HydrophobicContact CE1-CZ 4.45Å; Y319-A484 HydrophobicContact CD1-CB 4.04Å; Y319-A484 HydrophobicContact CG-CB 4.2Å
320	F	95.7	Very high	92.9	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.3	-38.7	176.1	-82.6	22.1	0	0	0	112.2	I77 E244 K316 G317 F322 L323 E324 A484 D487 Y488 E491 Y492	I77-F320 HydrophobicContact CB-CD2 4.23Å; I77-F320 HydrophobicContact CG1-CD2 4.27Å; I77-F320 HydrophobicContact CG1-CE2 4.45Å; I77-F320 HydrophobicContact CG2-CD2 3.96Å; I77-F320 HydrophobicContact CG2-CE2 4.17Å; E244-F320 HydrophobicContact CG-CB 4.13Å; K316-F320 HydrophobicContact CD-CE1 4.38Å; K316-F320 HydrophobicContact CD-CE2 4.17Å; K316-F320 HydrophobicContact CD-CZ 3.92Å; K316-F320 HydrophobicContact CG-CD1 3.87Å; K316-F320 HydrophobicContact CG-CD2 4.22Å; K316-F320 HydrophobicContact CG-CE1 3.5Å; K316-F320 HydrophobicContact CG-CE2 3.91Å; K316-F320 HydrophobicContact CG-CG 4.21Å; K316-F320 HydrophobicContact CG-CZ 3.51Å; K316-F320 WeakPolarHBondContact O-CB 3.09Å; K316-F320 WeakPolarHBondContact O-CD1 3.44Å; K316-F320 VanDerWaalsContact O-CG 3.3Å; K316-F320 WeakPolarHBondContact O-CG 3.39Å; K316-F320 PolarHBondContact O-N 3.01Å; G317-F320 PolarHBondContact O-N 2.8Å; F320-F322 VanDerWaalsContact C-N 3.33Å; F320-F322 PolarHBondContact O-N 2.74Å; F320-L323 CarbonylContact O-C 3.46Å; F320-L323 PolarHBondContact O-N 2.83Å; F320-L323 VanDerWaalsContact O-N 3.12Å; F320-E324 WeakPolarHBondContact O-CG 3.19Å; F320-E324 PolarHBondContact O-N 2.75Å; F320-A484 WeakPolarHBondContact CE1-O 3.31Å; F320-D487 HydrophobicContact CE1-CB 4.07Å; F320-D487 HydrophobicContact CZ-CB 4.16Å; F320-Y488 HydrophobicContact CB-CD2 4.33Å; F320-Y488 AromaticContact CD1-CD2 3.89Å; F320-Y488 HydrophobicContact CD1-CD2 3.89Å; F320-Y488 AromaticContact CD2-CD2 3.66Å; F320-Y488 HydrophobicContact CD2-CD2 3.66Å; F320-Y488 HydrophobicContact CD2-CE2 4.2Å; F320-Y488 HydrophobicContact CE1-CD2 4.03Å; F320-Y488 HydrophobicContact CE1-CG 4.4Å; F320-Y488 AromaticContact CE2-CD2 3.77Å; F320-Y488 HydrophobicContact CE2-CD2 3.77Å; F320-Y488 AromaticContact CG-CD2 3.71Å; F320-Y488 HydrophobicContact CG-CD2 3.71Å; F320-Y488 HydrophobicContact CG-CE2 4.34Å; F320-Y488 AromaticContact CZ-CD2 3.97Å; F320-Y488 HydrophobicContact CZ-CD2 3.97Å; F320-Y488 HydrophobicContact CZ-CG 4.39Å; F320-E491 HydrophobicContact CE2-CB 3.87Å; F320-E491 HydrophobicContact CE2-CG 3.94Å; F320-E491 HydrophobicContact CZ-CB 4.03Å; F320-Y492 HydrophobicContact CD2-CE2 4.31Å; F320-Y492 HydrophobicContact CE2-CE2 4.14Å
321	A	93.9	Very high	93.2	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-62.6	-41.1	176.4	0	0	0	0	0	112.8	E244 L247 G317 I318 Y319 L323 E324 D325	E244-A321 HydrophobicContact CB-CB 3.45Å; E244-A321 VanDerWaalsContact CB-CB 3.45Å; E244-A321 HydrophobicContact CG-CB 4.02Å; L247-A321 HydrophobicContact CD1-CB 3.4Å; G317-A321 PolarHBondContact O-N 3.48Å; G317-A321 VanDerWaalsContact O-N 3.15Å; I318-A321 PolarHBondContact O-N 2.81Å; Y319-A321 VanDerWaalsContact C-N 3.28Å; Y319-A321 PolarHBondContact O-N 3.42Å; A321-L323 VanDerWaalsContact C-N 3.3Å; A321-L323 PolarHBondContact O-N 2.03Å; A321-E324 PolarHBondContact O-N 3.5Å; A321-D325 PolarHBondContact O-N 2.79Å
322	F	95.3	Very high	93.6	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.009	9%	0.09	C	C	.	.	H	α-helix	trans	-59	-44	172	-176	-76.1	0	0	0	111.4	L247 F303 H306 V307 L310 I318 Y319 F320 E324 D325 Y326 I463 F481	L247-F322 HydrophobicContact CD2-CB 4.45Å; L247-F322 HydrophobicContact CD2-CD2 4.31Å; F303-F322 HydrophobicContact CD2-CE2 4.49Å; F303-F322 AromaticContact CD2-CZ 3.92Å; F303-F322 HydrophobicContact CD2-CZ 3.92Å; F303-F322 HydrophobicContact CE2-CE1 4.11Å; F303-F322 HydrophobicContact CE2-CE2 4.36Å; F303-F322 AromaticContact CE2-CZ 3.41Å; F303-F322 HydrophobicContact CE2-CZ 3.41Å; F303-F322 VanDerWaalsContact CE2-CZ 3.41Å; F303-F322 AromaticContact CZ-CZ 3.98Å; F303-F322 HydrophobicContact CZ-CZ 3.98Å; H306-F322 HydrophobicContact CB-CD2 4.15Å; H306-F322 HydrophobicContact CB-CE2 4.03Å; V307-F322 HydrophobicContact CG2-CE2 3.56Å; V307-F322 HydrophobicContact CG2-CZ 3.62Å; L310-F322 HydrophobicContact CD1-CD2 4.15Å; L310-F322 HydrophobicContact CD1-CG 4.43Å; I318-F322 PolarHBondContact O-N 3.05Å; Y319-F322 WeakPolarHBondContact O-CB 3.33Å; Y319-F322 PolarHBondContact O-N 2.9Å; F320-F322 VanDerWaalsContact C-N 3.33Å; F320-F322 PolarHBondContact O-N 2.74Å; F322-E324 VanDerWaalsContact C-N 3.28Å; F322-E324 PolarHBondContact O-N 2.78Å; F322-D325 PolarHBondContact O-N 3.1Å; F322-Y326 HydrophobicContact CD1-CD2 4.2Å; F322-Y326 AromaticContact CD2-CD2 3.95Å; F322-Y326 HydrophobicContact CD2-CD2 3.95Å; F322-Y326 HydrophobicContact CD2-CE2 4.24Å; F322-Y326 AromaticContact CE1-CD2 3.97Å; F322-Y326 HydrophobicContact CE1-CD2 3.97Å; F322-Y326 HydrophobicContact CE1-CG 4.36Å; F322-Y326 AromaticContact CE2-CD2 3.68Å; F322-Y326 HydrophobicContact CE2-CD2 3.68Å; F322-Y326 AromaticContact CE2-CE2 3.88Å; F322-Y326 HydrophobicContact CE2-CE2 3.88Å; F322-Y326 HydrophobicContact CG-CD2 4.21Å; F322-Y326 AromaticContact CZ-CD2 3.72Å; F322-Y326 HydrophobicContact CZ-CD2 3.72Å; F322-Y326 HydrophobicContact CZ-CE2 4.27Å; F322-Y326 HydrophobicContact CZ-CG 4.3Å; F322-Y326 PolarHBondContact O-N 3.46Å; F322-I463 HydrophobicContact CE1-CG1 4.35Å; F322-I463 HydrophobicContact CE1-CG2 4.47Å; F322-F481 HydrophobicContact CB-CE1 4.32Å; F322-F481 HydrophobicContact CD1-CD1 4.41Å; F322-F481 AromaticContact CD1-CE1 3.31Å; F322-F481 HydrophobicContact CD1-CE1 3.31Å; F322-F481 AromaticContact CD1-CZ 3.73Å; F322-F481 HydrophobicContact CD1-CZ 3.73Å; F322-F481 HydrophobicContact CD2-CE1 4.38Å; F322-F481 HydrophobicContact CD2-CZ 4.08Å; F322-F481 AromaticContact CE1-CE1 3.55Å; F322-F481 HydrophobicContact CE1-CE1 3.55Å; F322-F481 AromaticContact CE1-CZ 3.64Å; F322-F481 HydrophobicContact CE1-CZ 3.64Å; F322-F481 HydrophobicContact CE2-CZ 4.02Å; F322-F481 AromaticContact CG-CE1 3.76Å; F322-F481 HydrophobicContact CG-CE1 3.76Å; F322-F481 AromaticContact CG-CZ 3.93Å; F322-F481 HydrophobicContact CG-CZ 3.93Å; F322-F481 HydrophobicContact CZ-CE1 4.17Å; F322-F481 AromaticContact CZ-CZ 3.77Å; F322-F481 HydrophobicContact CZ-CZ 3.77Å
323	L	95.6	Very high	94.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-68.4	-24.8	178.2	-59.8	177.7	0	0	0	113	N158 Y319 F320 A321 G327 T328 I463 F481 A484 Y488	N158-L323 PolarHBondContact ND2-O 3.4Å; Y319-L323 WeakPolarHBondContact O-CG 3.34Å; Y319-L323 PolarHBondContact O-N 2.81Å; Y319-L323 VanDerWaalsContact O-N 3.09Å; F320-L323 CarbonylContact O-C 3.46Å; F320-L323 PolarHBondContact O-N 2.83Å; F320-L323 VanDerWaalsContact O-N 3.12Å; A321-L323 VanDerWaalsContact C-N 3.3Å; A321-L323 PolarHBondContact O-N 2.03Å; L323-G327 WeakPolarHBondContact CD2-O 3.23Å; L323-G327 CarbonylContact O-C 3.59Å; L323-G327 WeakPolarHBondContact O-CA 3.35Å; L323-G327 PolarHBondContact O-N 3.29Å; L323-T328 HydrophobicContact CB-CG2 4.31Å; L323-T328 HydrophobicContact CD1-CG2 4.28Å; L323-T328 HydrophobicContact CD2-CG2 4.16Å; L323-T328 HydrophobicContact CG-CG2 4.48Å; L323-I463 HydrophobicContact CD2-CG2 4.36Å; L323-F481 HydrophobicContact CD2-CD1 4.32Å; L323-A484 HydrophobicContact CD1-CB 3.99Å; L323-Y488 HydrophobicContact CD1-CD2 4.42Å; L323-Y488 HydrophobicContact CD1-CG 4.2Å
324	E	92.9	Very high	94.3	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-79.9	-29.6	172.7	-73.5	-171	172.3	0	0	112.6	R165 K239 N242 S243 E244 F320 A321 F322 Y488	R165-E324 WeakPolarHBondContact CD-O 3.2Å; R165-E324 VanDerWaalsContact CZ-O 3.29Å; R165-E324 PolarHBondContact NE-O 2.78Å; R165-E324 PolarHBondContact NH1-O 3.33Å; K239-E324 VanDerWaalsContact CE-OE1 3.23Å; K239-E324 WeakPolarHBondContact CE-OE1 3.3Å; K239-E324 IonicContact NZ-OE1 3.88Å; N242-E324 VanDerWaalsContact CA-OE2 3.23Å; N242-E324 WeakPolarHBondContact CA-OE2 3.22Å; N242-E324 HydrophobicContact CB-CB 4.43Å; N242-E324 WeakPolarHBondContact CB-OE2 3Å; N242-E324 PolarHBondContact ND2-O 2.83Å; S243-E324 PolarHBondContact N-OE1 3.43Å; S243-E324 PolarHBondContact N-OE2 3.36Å; S243-E324 PolarHBondContact OG-OE1 3.21Å; E244-E324 PolarHBondContact N-OE2 3.22Å; F320-E324 WeakPolarHBondContact O-CG 3.19Å; F320-E324 PolarHBondContact O-N 2.75Å; A321-E324 PolarHBondContact O-N 3.5Å; F322-E324 VanDerWaalsContact C-N 3.28Å; F322-E324 PolarHBondContact O-N 2.78Å; E324-Y488 HydrophobicContact CG-CE2 4.21Å
325	D	92.4	Very high	94.5	Very high	11 Å²	11	11.8 Å²	11.8	6%	0.059	6%	0.055	C	C	.	.	H	α-helix	trans	-78.9	-54.5	176.9	-73.4	-23.3	0	0	0	111.9	R165 M166 S246 L247 A321 F322	R165-D325 WeakPolarHBondContact CB-O 3.19Å; M166-D325 WeakPolarHBondContact CB-O 3.47Å; M166-D325 WeakPolarHBondContact CG-O 3.43Å; M166-D325 PolarHBondContact N-O 3.42Å; M166-D325 VanDerWaalsContact N-O 3.09Å; M166-D325 HydrophobicContact SD-CB 3.91Å; S246-D325 WeakPolarHBondContact CA-OD2 3.43Å; S246-D325 WeakPolarHBondContact CB-OD1 3.1Å; S246-D325 PolarHBondContact OG-OD1 3Å; S246-D325 PolarHBondContact OG-OD2 3.43Å; S246-D325 VanDerWaalsContact OG-OD2 3.04Å; L247-D325 PolarHBondContact N-OD2 3.47Å; A321-D325 PolarHBondContact O-N 2.79Å; F322-D325 PolarHBondContact O-N 3.1Å
326	Y	94	Very high	94.6	Very high	4 Å²	4	11.5 Å²	11.5	2%	0.016	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-14.2	-175.2	-68.5	-76.4	0	0	0	114.1	G156 R165 M166 P168 D302 F303 H306 F322	G156-Y326 WeakPolarHBondContact CA-O 3.47Å; R165-Y326 VanDerWaalsContact CB-C 3.47Å; R165-Y326 WeakPolarHBondContact CB-O 3.34Å; M166-Y326 HydrophobicContact CB-CD1 3.57Å; M166-Y326 HydrophobicContact CB-CE1 3.71Å; M166-Y326 HydrophobicContact CB-CG 4.35Å; M166-Y326 HydrophobicContact CE-CE1 4.2Å; M166-Y326 HydrophobicContact SD-CE1 4.4Å; P168-Y326 HydrophobicContact CB-CD1 4.42Å; D302-Y326 PolarHBondContact O-OH 2.94Å; F303-Y326 WeakPolarHBondContact CA-OH 2.98Å; F303-Y326 HydrophobicContact CB-CE1 4.13Å; F303-Y326 AromaticContact CD2-CD1 3.78Å; F303-Y326 HydrophobicContact CD2-CD1 3.78Å; F303-Y326 HydrophobicContact CD2-CD2 4.21Å; F303-Y326 AromaticContact CD2-CE1 3.78Å; F303-Y326 HydrophobicContact CD2-CE1 3.78Å; F303-Y326 HydrophobicContact CD2-CE2 4.17Å; F303-Y326 HydrophobicContact CD2-CG 4.02Å; F303-Y326 AromaticContact CD2-CZ 3.98Å; F303-Y326 HydrophobicContact CE2-CD1 4.43Å; F303-Y326 HydrophobicContact CE2-CG 4.36Å; F303-Y326 HydrophobicContact CG-CE1 4.46Å; F303-Y326 PolarHBondContact N-OH 3.05Å; H306-Y326 HydrophobicContact CB-CE2 3.99Å; H306-Y326 AromaticContact ND1-CE2 3.36Å; H306-Y326 WeakPolarHBondContact ND1-CE2 3.4Å; H306-Y326 AromaticContact ND1-CZ 3.63Å; H306-Y326 PolarHBondContact ND1-OH 3.35Å; H306-Y326 VanDerWaalsContact ND1-OH 3.09Å; F322-Y326 HydrophobicContact CD1-CD2 4.2Å; F322-Y326 AromaticContact CD2-CD2 3.95Å; F322-Y326 HydrophobicContact CD2-CD2 3.95Å; F322-Y326 HydrophobicContact CD2-CE2 4.24Å; F322-Y326 AromaticContact CE1-CD2 3.97Å; F322-Y326 HydrophobicContact CE1-CD2 3.97Å; F322-Y326 HydrophobicContact CE1-CG 4.36Å; F322-Y326 AromaticContact CE2-CD2 3.68Å; F322-Y326 HydrophobicContact CE2-CD2 3.68Å; F322-Y326 AromaticContact CE2-CE2 3.88Å; F322-Y326 HydrophobicContact CE2-CE2 3.88Å; F322-Y326 HydrophobicContact CG-CD2 4.21Å; F322-Y326 AromaticContact CZ-CD2 3.72Å; F322-Y326 HydrophobicContact CZ-CD2 3.72Å; F322-Y326 HydrophobicContact CZ-CE2 4.27Å; F322-Y326 HydrophobicContact CZ-CG 4.3Å; F322-Y326 PolarHBondContact O-N 3.46Å
327	G	94.1	Very high	94.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.048	C	C	.	.			trans	89.1	178.7	-172.3	0	0	0	0	0	113.5	V157 L323	V157-G327 WeakPolarHBondContact O-CA 3.13Å; L323-G327 WeakPolarHBondContact CD2-O 3.23Å; L323-G327 CarbonylContact O-C 3.59Å; L323-G327 WeakPolarHBondContact O-CA 3.35Å; L323-G327 PolarHBondContact O-N 3.29Å
328	T	95.2	Very high	94.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.048	C	C	.	.	S	Bend	trans	-92.7	-21.2	177.3	56.9	0	0	0	0	112.5	V157 I159 L323 I463 T485 Y488	V157-T328 PolarHBondContact O-N 2.94Å; I159-T328 HydrophobicContact CD1-CG2 4.44Å; I159-T328 HydrophobicContact CG1-CG2 4.27Å; I159-T328 WeakPolarHBondContact CG1-OG1 3.09Å; I159-T328 PolarHBondContact N-OG1 2.83Å; L323-T328 HydrophobicContact CB-CG2 4.31Å; L323-T328 HydrophobicContact CD1-CG2 4.28Å; L323-T328 HydrophobicContact CD2-CG2 4.16Å; L323-T328 HydrophobicContact CG-CG2 4.48Å; T328-I463 WeakPolarHBondContact O-CB 3.42Å; T328-I463 WeakPolarHBondContact O-CG2 3.41Å; T328-I463 PolarHBondContact O-N 3.04Å; T328-T485 HydrophobicContact CG2-CG2 4.17Å; T328-Y488 HydrophobicContact CG2-CD1 4.26Å
329	H	95.6	Very high	94.5	Very high	33 Å²	33	10.5 Å²	10.5	15%	0.153	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	164.2	-177.9	-65.8	68.6	0	0	0	109.4	G156 V157 I159 P460 E461	G156-H329 CarbonylContact C-O 3.52Å; G156-H329 WeakPolarHBondContact CA-O 3.13Å; V157-H329 HydrophobicContact CG2-CB 3.76Å; V157-H329 PolarHBondContact N-O 2.93Å; V157-H329 PolarHBondContact O-N 3.06Å; V157-H329 VanDerWaalsContact O-O 3.12Å; I159-H329 WeakPolarHBondContact CG2-ND1 3.29Å; H329-P460 HydrophobicContact CB-CB 3.61Å; H329-E461 CarbonylContact C-O 3.27Å; H329-E461 WeakPolarHBondContact CA-O 3.3Å; H329-E461 WeakPolarHBondContact CB-O 3.41Å; H329-E461 VanDerWaalsContact CD2-C 3.4Å
330	Y	95.8	Very high	94.3	Very high	8 Å²	8	10.7 Å²	10.7	3%	0.031	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	158.1	166.5	72.9	-82.7	0	0	0	109.8	F169 R332 P460 E461 M465 L466	F169-Y330 AromaticContact CE2-CD2 3.57Å; F169-Y330 HydrophobicContact CE2-CD2 3.57Å; F169-Y330 HydrophobicContact CE2-CE2 4.24Å; F169-Y330 HydrophobicContact CE2-CG 4.1Å; F169-Y330 AromaticContact CZ-CD2 3.52Å; F169-Y330 HydrophobicContact CZ-CD2 3.52Å; F169-Y330 AromaticContact CZ-CE2 3.75Å; F169-Y330 HydrophobicContact CZ-CE2 3.75Å; F169-Y330 HydrophobicContact CZ-CG 4.15Å; Y330-R332 HydrophobicContact CE2-CB 3.86Å; Y330-R332 HydrophobicContact CE2-CG 4.36Å; Y330-R332 PolarHBondContact O-N 3.5Å; Y330-P460 CarbonylContact O-C 3.51Å; Y330-P460 VanDerWaalsContact O-CA 3.3Å; Y330-P460 WeakPolarHBondContact O-CA 3.38Å; Y330-E461 HydrophobicContact CD1-CB 4.24Å; Y330-E461 VanDerWaalsContact CD1-O 3.23Å; Y330-E461 WeakPolarHBondContact CD1-O 3.45Å; Y330-E461 HydrophobicContact CE1-CB 3.51Å; Y330-E461 HydrophobicContact CE2-CB 4.5Å; Y330-E461 PolarHBondContact N-O 3.49Å; Y330-E461 PolarHBondContact O-N 3.37Å; Y330-E461 PolarHBondContact OH-OE2 2.77Å; Y330-M465 HydrophobicContact CE1-CB 4.47Å; Y330-L466 HydrophobicContact CD1-CD1 3.97Å; Y330-L466 HydrophobicContact CD1-CD2 4.05Å; Y330-L466 HydrophobicContact CD1-CG 3.9Å; Y330-L466 HydrophobicContact CE1-CD2 3.86Å; Y330-L466 HydrophobicContact CE1-CG 4.11Å; Y330-L466 HydrophobicContact CE2-CD2 4.37Å; Y330-L466 HydrophobicContact CG-CD1 4.01Å; Y330-L466 HydrophobicContact CG-CD2 4.41Å; Y330-L466 HydrophobicContact CG-CG 4.39Å
331	T	96.3	Very high	93.9	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	98.2	179.8	-56.4	0	0	0	0	111.3	G154 Y155 V157 Y290 S333 L455 S458	G154-T331 WeakPolarHBondContact CA-O 3.34Å; Y155-T331 PolarHBondContact O-N 2.9Å; Y155-T331 PolarHBondContact O-OG1 2.8Å; Y155-T331 VanDerWaalsContact O-OG1 3.05Å; V157-T331 WeakPolarHBondContact CG1-OG1 3.32Å; Y290-T331 HydrophobicContact CE2-CG2 4.19Å; Y290-T331 WeakPolarHBondContact OH-CG2 3.03Å; T331-S333 VanDerWaalsContact CG2-O 3.25Å; T331-S333 WeakPolarHBondContact CG2-O 3.1Å; T331-L455 HydrophobicContact CG2-CD1 4.05Å; T331-S458 WeakPolarHBondContact CB-OG 3.3Å; T331-S458 VanDerWaalsContact CG2-OG 3.26Å; T331-S458 WeakPolarHBondContact CG2-OG 3.37Å; T331-S458 PolarHBondContact OG1-OG 2.8Å
332	R	96.4	Very high	93.7	Very high	51 Å²	51	10.8 Å²	10.8	19%	0.192	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-38.7	177.8	-174.6	-158.2	70.4	159.2	-5.4	112.7	R291 M292 Y330 E459 E461	R291-R332 WeakPolarHBondContact CA-O 3.44Å; M292-R332 WeakPolarHBondContact CG-O 3.37Å; M292-R332 PolarHBondContact N-O 2.9Å; Y330-R332 HydrophobicContact CE2-CB 3.86Å; Y330-R332 HydrophobicContact CE2-CG 4.36Å; Y330-R332 PolarHBondContact O-N 3.5Å; R332-E459 PolarHBondContact N-O 2.79Å; R332-E459 IonicContact NH2-OE2 3.81Å; R332-E459 PolarHBondContact NH2-OE2 2.69Å; R332-E461 HydrophobicContact CB-CB 4.36Å; R332-E461 HydrophobicContact CB-CG 4.2Å; R332-E461 VanDerWaalsContact CD-CD 3.42Å; R332-E461 WeakPolarHBondContact CD-OE1 3.34Å; R332-E461 IonicContact CZ-OE1 3.91Å; R332-E461 IonicContact NE-OE1 3.15Å; R332-E461 IonicContact NH1-OE1 2.65Å
333	S	96.8	Very high	93.3	Very high	13 Å²	13	10.7 Å²	10.7	9%	0.091	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	135.6	174.9	-60.7	0	0	0	0	108.6	Y290 R291 T331 E459	Y290-S333 WeakPolarHBondContact O-CA 3.25Å; R291-S333 WeakPolarHBondContact CG-OG 3.13Å; R291-S333 PolarHBondContact NH1-OG 3.11Å; R291-S333 VanDerWaalsContact NH1-OG 3.13Å; T331-S333 VanDerWaalsContact CG2-O 3.25Å; T331-S333 WeakPolarHBondContact CG2-O 3.1Å; S333-E459 PolarHBondContact N-O 3.22Å; S333-E459 WeakPolarHBondContact O-CB 3.38Å; S333-E459 PolarHBondContact O-N 2.92Å
334	G	94.9	Very high	92.8	Very high	6 Å²	6	10.7 Å²	10.7	6%	0.062	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	163.5	-169.9	0	0	0	0	0	113.4	T289 Y290 Q457	T289-G334 WeakPolarHBondContact CA-O 3.29Å; Y290-G334 PolarHBondContact N-O 2.69Å; Y290-G334 PolarHBondContact O-N 3.27Å; G334-Q457 WeakPolarHBondContact CA-O 3.14Å
335	K	95.2	Very high	92.5	Very high	66 Å²	66	10.7 Å²	10.7	29%	0.287	5%	0.05	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.3	171.8	-57.8	-173.4	164.6	-158.4	0	108.5	Q286 S288 T289 L456 Q457	Q286-K335 HydrophobicContact CG-CB 4.48Å; Q286-K335 VanDerWaalsContact OE1-CD 3.24Å; S288-K335 WeakPolarHBondContact O-CA 3.34Å; T289-K335 HydrophobicContact CG2-CG 4.07Å; K335-L456 HydrophobicContact CB-CB 4.38Å; K335-L456 WeakPolarHBondContact O-CB 3.41Å; K335-L456 PolarHBondContact O-N 2.91Å; K335-Q457 HydrophobicContact CB-CB 4.07Å; K335-Q457 HydrophobicContact CD-CB 4.13Å; K335-Q457 HydrophobicContact CG-CB 4.07Å; K335-Q457 PolarHBondContact N-O 2.63Å; K335-Q457 PolarHBondContact O-N 3.11Å
336	S	93.5	Very high	92	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.021	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	150.6	178.8	90.6	0	0	0	0	111.3	Q149 L287 S288 A454	Q149-S336 WeakPolarHBondContact CG-OG 3.45Å; L287-S336 PolarHBondContact N-O 2.92Å; S288-S336 PolarHBondContact N-O 2.48Å; S288-S336 PolarHBondContact O-N 2.74Å; S288-S336 PolarHBondContact OG-OG 3.02Å; S336-A454 WeakPolarHBondContact CA-O 3.17Å
337	G	93.4	Very high	91.4	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.7	-140.5	177.8	0	0	0	0	0	111.4	V285 I449 A454	V285-G337 CarbonylContact O-C 3.58Å; V285-G337 VanDerWaalsContact O-CA 3.23Å; V285-G337 WeakPolarHBondContact O-CA 3.49Å; G337-I449 VanDerWaalsContact CA-CG2 3.49Å; G337-I449 WeakPolarHBondContact O-CG2 3.37Å; G337-A454 PolarHBondContact N-O 3.49Å; G337-A454 WeakPolarHBondContact O-CA 3.22Å; G337-A454 PolarHBondContact O-N 3.47Å
338	G	91.9	Very high	90.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149.8	179.1	0	0	0	0	0	112.7	K284 V285 K417	K284-G338 WeakPolarHBondContact CA-O 3.4Å; V285-G338 PolarHBondContact N-O 2.97Å; V285-G338 PolarHBondContact O-N 2.92Å; G338-K417 CarbonylContact C-O 3.57Å; G338-K417 VanDerWaalsContact CA-O 3.24Å; G338-K417 WeakPolarHBondContact CA-O 3.49Å
339	E	91.3	Very high	89.9	Confident	22 Å²	22	15 Å²	15	10%	0.103	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	134.2	174.9	179.5	174.3	99.8	0	0	109	K282 G283 K417 L456	K282-E339 VanDerWaalsContact CE-CD 3.46Å; K282-E339 WeakPolarHBondContact CE-OE2 3.42Å; K282-E339 IonicContact NZ-OE2 3.76Å; K282-E339 PolarHBondContact NZ-OE2 3.36Å; G283-E339 CarbonylContact O-C 3.56Å; G283-E339 VanDerWaalsContact O-CA 3.27Å; G283-E339 WeakPolarHBondContact O-CA 3.36Å; E339-K417 PolarHBondContact N-O 3.11Å; E339-K417 PolarHBondContact O-N 3.48Å; E339-L456 HydrophobicContact CB-CD2 3.8Å
340	Y	89.5	Confident	88.9	Confident	3 Å²	3	13.8 Å²	13.8	1%	0.012	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	146.1	165.1	68	-93	0	0	0	109.8	E207 V281 K282 G283 L342 V367 S415 M427 M437 Y442 W445	E207-Y340 WeakPolarHBondContact CG-OH 3.16Å; E207-Y340 PolarHBondContact OE1-OH 3.16Å; V281-Y340 HydrophobicContact CG1-CE2 4.26Å; K282-Y340 WeakPolarHBondContact CA-O 3.23Å; G283-Y340 PolarHBondContact N-O 2.83Å; G283-Y340 PolarHBondContact O-N 2.9Å; Y340-L342 HydrophobicContact CD2-CD1 4.34Å; Y340-L342 HydrophobicContact CD2-CD2 4.23Å; Y340-L342 HydrophobicContact CD2-CG 3.95Å; Y340-L342 HydrophobicContact CE2-CD1 4.4Å; Y340-L342 HydrophobicContact CE2-CG 4.39Å; Y340-V367 PolarHBondContact OH-O 3.24Å; Y340-S415 CarbonylContact C-O 3.55Å; Y340-S415 WeakPolarHBondContact CA-O 3.44Å; Y340-M427 HydrophobicContact CD1-CE 3.89Å; Y340-M427 HydrophobicContact CD2-CE 4.2Å; Y340-M427 HydrophobicContact CG-CE 3.67Å; Y340-M437 HydrophobicContact CD1-CE 4.42Å; Y340-M437 HydrophobicContact CD2-CE 3.6Å; Y340-M437 HydrophobicContact CE1-CE 4.28Å; Y340-M437 HydrophobicContact CE1-SD 4.5Å; Y340-M437 HydrophobicContact CE2-CE 3.42Å; Y340-M437 VanDerWaalsContact CE2-CE 3.42Å; Y340-M437 HydrophobicContact CE2-SD 4.41Å; Y340-M437 HydrophobicContact CG-CE 4.1Å; Y340-Y442 HydrophobicContact CE1-CD2 4.09Å; Y340-Y442 AromaticContact CE1-CE2 3.85Å; Y340-Y442 HydrophobicContact CE1-CE2 3.85Å; Y340-W445 HydrophobicContact CD1-CE3 4.37Å; Y340-W445 AromaticContact CD1-CH2 3.72Å; Y340-W445 HydrophobicContact CD1-CH2 3.72Å; Y340-W445 HydrophobicContact CD1-CZ2 4.47Å; Y340-W445 AromaticContact CD1-CZ3 3.67Å; Y340-W445 HydrophobicContact CD1-CZ3 3.67Å; Y340-W445 HydrophobicContact CE1-CH2 4.48Å; Y340-W445 HydrophobicContact CE1-CZ3 4.1Å
341	E	89	Confident	87.8	Confident	2 Å²	2	14.9 Å²	14.9	1%	0.009	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	119.9	179.2	-173.5	162.7	-167.1	0	0	109.3	L224 K260 L263 R280 V281 S415	L224-E341 WeakPolarHBondContact CD2-OE1 3.45Å; K260-E341 WeakPolarHBondContact CD-OE2 3.48Å; K260-E341 WeakPolarHBondContact CE-OE2 3.29Å; K260-E341 IonicContact NZ-OE1 3.09Å; K260-E341 IonicContact NZ-OE2 3.29Å; K260-E341 PolarHBondContact NZ-OE2 3.27Å; L263-E341 HydrophobicContact CD2-CB 4.26Å; L263-E341 HydrophobicContact CD2-CG 3.94Å; R280-E341 IonicContact CZ-OE1 3.44Å; R280-E341 IonicContact NE-OE1 3.49Å; R280-E341 PolarHBondContact NE-OE1 3.32Å; R280-E341 IonicContact NH2-OE1 3.74Å; R280-E341 PolarHBondContact NH2-OE1 3.11Å; R280-E341 IonicContact NH2-OE2 3.47Å; V281-E341 CarbonylContact O-C 3.52Å; V281-E341 WeakPolarHBondContact O-CA 3.4Å; E341-S415 PolarHBondContact N-O 3.37Å; E341-S415 PolarHBondContact O-N 2.85Å
342	L	88.1	Confident	86.8	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.1	-177.4	-45.3	-176.6	0	0	0	109.3	R280 V281 Y340 Y344 V412 M413 T414 L431 M437	R280-L342 CarbonylContact C-O 3.45Å; R280-L342 WeakPolarHBondContact CA-O 3.4Å; V281-L342 HydrophobicContact CB-CB 4.25Å; V281-L342 PolarHBondContact N-O 3.28Å; V281-L342 PolarHBondContact O-N 2.93Å; Y340-L342 HydrophobicContact CD2-CD1 4.34Å; Y340-L342 HydrophobicContact CD2-CD2 4.23Å; Y340-L342 HydrophobicContact CD2-CG 3.95Å; Y340-L342 HydrophobicContact CE2-CD1 4.4Å; Y340-L342 HydrophobicContact CE2-CG 4.39Å; L342-Y344 HydrophobicContact CB-CD2 4.3Å; L342-Y344 HydrophobicContact CB-CE2 3.69Å; L342-Y344 HydrophobicContact CD1-CE2 3.97Å; L342-Y344 WeakPolarHBondContact CD1-OH 3.45Å; L342-V412 HydrophobicContact CB-CG1 4.41Å; L342-M413 CarbonylContact C-O 3.59Å; L342-M413 WeakPolarHBondContact CA-O 3.42Å; L342-T414 HydrophobicContact CD2-CG2 3.92Å; L342-L431 HydrophobicContact CD1-CD1 4.19Å; L342-L431 HydrophobicContact CD1-CD2 3.94Å; L342-L431 HydrophobicContact CD2-CD1 3.56Å; L342-M437 HydrophobicContact CD1-CE 3.77Å
343	I	88.1	Confident	85.8	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	107.8	173	-62	175.8	0	0	0	107.6	V220 L224 L263 V267 F278 M279 M413	V220-I343 HydrophobicContact CG1-CD1 4.15Å; L224-I343 HydrophobicContact CD1-CD1 3.77Å; L263-I343 HydrophobicContact CD1-CB 4.46Å; L263-I343 HydrophobicContact CD1-CD1 3.93Å; L263-I343 HydrophobicContact CD1-CG1 4.3Å; L263-I343 HydrophobicContact CD2-CD1 3.83Å; L263-I343 HydrophobicContact CD2-CG1 4.3Å; L263-I343 HydrophobicContact CG-CD1 3.85Å; V267-I343 HydrophobicContact CG2-CD1 3.57Å; V267-I343 HydrophobicContact CG2-CG2 4.23Å; F278-I343 HydrophobicContact CB-CG2 4.25Å; F278-I343 HydrophobicContact CD1-CG2 3.64Å; F278-I343 HydrophobicContact CG-CG2 4.39Å; M279-I343 WeakPolarHBondContact O-CA 3.4Å; I343-M413 HydrophobicContact CB-CB 4.32Å; I343-M413 PolarHBondContact N-O 3.09Å; I343-M413 PolarHBondContact O-N 3.48Å
344	Y	85.6	Confident	84.6	Confident	1 Å²	1	30.8 Å²	30.8	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	120.5	175.4	-70.2	-91.6	0	0	0	109.1	F278 M279 V281 L342 V365 V409 V412 G435	F278-Y344 VanDerWaalsContact CA-O 3.28Å; F278-Y344 WeakPolarHBondContact CA-O 3.43Å; M279-Y344 HydrophobicContact CE-CD2 3.74Å; M279-Y344 HydrophobicContact CE-CE2 4.37Å; M279-Y344 HydrophobicContact CE-CG 3.87Å; M279-Y344 PolarHBondContact N-O 2.7Å; M279-Y344 PolarHBondContact O-N 3.12Å; V281-Y344 HydrophobicContact CG2-CD2 4.28Å; V281-Y344 HydrophobicContact CG2-CE2 4.03Å; L342-Y344 HydrophobicContact CB-CD2 4.3Å; L342-Y344 HydrophobicContact CB-CE2 3.69Å; L342-Y344 HydrophobicContact CD1-CE2 3.97Å; L342-Y344 WeakPolarHBondContact CD1-OH 3.45Å; Y344-V365 HydrophobicContact CD2-CG1 4.06Å; Y344-V365 HydrophobicContact CE1-CG1 4.21Å; Y344-V365 HydrophobicContact CE2-CG1 3.26Å; Y344-V365 WeakPolarHBondContact OH-CG1 3.44Å; Y344-V409 HydrophobicContact CD1-CG1 4.06Å; Y344-V409 HydrophobicContact CD1-CG2 4.47Å; Y344-V412 HydrophobicContact CD1-CG1 4.29Å; Y344-V412 HydrophobicContact CD1-CG2 3.59Å; Y344-V412 HydrophobicContact CE1-CB 4.35Å; Y344-V412 HydrophobicContact CE1-CG1 3.93Å; Y344-V412 HydrophobicContact CE1-CG2 3.44Å; Y344-V412 VanDerWaalsContact CE1-CG2 3.44Å; Y344-V412 HydrophobicContact CE2-CG1 4.39Å; Y344-G435 WeakPolarHBondContact CE1-O 3.41Å
345	V	85.8	Confident	83.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	114.4	169.8	-176.9	0	0	0	0	108	Y270 I276 F278 V409 D410 K411 M413	Y270-V345 HydrophobicContact CD1-CG1 3.91Å; Y270-V345 HydrophobicContact CD1-CG2 4.17Å; Y270-V345 HydrophobicContact CE1-CB 4.19Å; Y270-V345 HydrophobicContact CE1-CG1 3.29Å; Y270-V345 HydrophobicContact CE1-CG2 4.06Å; I276-V345 HydrophobicContact CB-CG1 4.19Å; I276-V345 HydrophobicContact CD1-CG1 4.48Å; I276-V345 HydrophobicContact CG2-CG1 4.17Å; F278-V345 HydrophobicContact CD1-CG2 4.15Å; F278-V345 HydrophobicContact CE1-CG2 3.93Å; V345-V409 WeakPolarHBondContact O-CA 3.42Å; V345-D410 HydrophobicContact CB-CB 4.38Å; V345-D410 HydrophobicContact CG1-CB 4.07Å; V345-D410 PolarHBondContact O-N 2.76Å; V345-K411 HydrophobicContact CB-CB 4.42Å; V345-K411 WeakPolarHBondContact CB-O 3.14Å; V345-K411 HydrophobicContact CG2-CB 4.24Å; V345-K411 PolarHBondContact N-O 2.78Å; V345-M413 HydrophobicContact CG2-CE 3.85Å
346	L	82.6	Confident	82.4	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.3	-176.9	-55	177.2	0	0	0	109.8	I213 I276 S277 M279 Q348 I361 V409	I213-L346 HydrophobicContact CD1-CD1 4.22Å; I276-L346 CarbonylContact C-O 3.54Å; I276-L346 WeakPolarHBondContact CA-O 3.02Å; S277-L346 PolarHBondContact N-O 3.02Å; S277-L346 PolarHBondContact O-N 3.01Å; S277-L346 WeakPolarHBondContact OG-CB 3.26Å; S277-L346 PolarHBondContact OG-O 3.08Å; M279-L346 HydrophobicContact CB-CD1 4.02Å; L346-Q348 PolarHBondContact O-N 2.77Å; L346-I361 HydrophobicContact CD1-CD1 4.09Å; L346-I361 HydrophobicContact CD1-CG2 4.48Å; L346-V409 HydrophobicContact CD2-CG2 3.92Å
347	N	81.1	Confident	81.4	Confident	22 Å²	22	38.7 Å²	38.7	12%	0.118	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	117.3	176.5	-176.9	-45.9	0	0	0	110.1	N349 T350 F351 L408	N347-N349 VanDerWaalsContact C-N 3.26Å; N347-N349 PolarHBondContact O-N 2.01Å; N347-N349 WeakPolarHBondContact OD1-CB 3.11Å; N347-N349 PolarHBondContact OD1-N 3.47Å; N347-T350 HydrophobicContact CB-CG2 4.36Å; N347-T350 WeakPolarHBondContact CB-OG1 3.34Å; N347-T350 PolarHBondContact O-N 2.67Å; N347-T350 PolarHBondContact O-OG1 2.93Å; N347-T350 VanDerWaalsContact O-OG1 3.08Å; N347-T350 PolarHBondContact OD1-N 2.7Å; N347-F351 VanDerWaalsContact O-CB 3.26Å; N347-F351 WeakPolarHBondContact O-CB 3.45Å; N347-F351 PolarHBondContact O-N 2.88Å; N347-L408 PolarHBondContact N-O 3.26Å; N347-L408 VanDerWaalsContact N-O 3.15Å
348	Q	78.9	Confident	80.5	Confident	17 Å²	17	42.1 Å²	42.1	8%	0.079	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-29.6	-175.5	-68.9	-175.3	-19.2	0	0	112.8	N275 I276 L346 R352	N275-Q348 HydrophobicContact CB-CB 4.42Å; N275-Q348 WeakPolarHBondContact O-CB 3.28Å; N275-Q348 PolarHBondContact O-N 3Å; I276-Q348 PolarHBondContact O-NE2 3.41Å; L346-Q348 PolarHBondContact O-N 2.77Å; Q348-R352 WeakPolarHBondContact O-CB 3.13Å; Q348-R352 VanDerWaalsContact O-CG 3.24Å; Q348-R352 WeakPolarHBondContact O-CG 3.43Å; Q348-R352 PolarHBondContact O-N 3.05Å; Q348-R352 VanDerWaalsContact O-N 3.09Å
349	N	78.4	Confident	79.5	Confident	68 Å²	68	50.7 Å²	50.7	36%	0.364	23%	0.233	S	C	.	.	H	α-helix	trans	-70.9	-49.3	179.9	-65	-14	0	0	0	110.6	N347 F351 R352 E353	N347-N349 VanDerWaalsContact C-N 3.26Å; N347-N349 PolarHBondContact O-N 2.01Å; N347-N349 WeakPolarHBondContact OD1-CB 3.11Å; N347-N349 PolarHBondContact OD1-N 3.47Å; N349-F351 VanDerWaalsContact C-N 3.27Å; N349-F351 PolarHBondContact O-N 2.76Å; N349-R352 PolarHBondContact O-N 3.38Å; N349-E353 WeakPolarHBondContact O-CB 3.01Å; N349-E353 VanDerWaalsContact O-CG 3.29Å; N349-E353 WeakPolarHBondContact O-CG 3.23Å; N349-E353 PolarHBondContact O-N 3.2Å
350	T	74.3	Confident	78.5	Confident	6 Å²	6	51.7 Å²	51.7	4%	0.037	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-33.5	178.8	60.6	0	0	0	0	111.5	N347 R354 K406	N347-T350 HydrophobicContact CB-CG2 4.36Å; N347-T350 WeakPolarHBondContact CB-OG1 3.34Å; N347-T350 PolarHBondContact O-N 2.67Å; N347-T350 PolarHBondContact O-OG1 2.93Å; N347-T350 VanDerWaalsContact O-OG1 3.08Å; N347-T350 PolarHBondContact OD1-N 2.7Å; T350-R354 WeakPolarHBondContact O-CB 3.24Å; T350-R354 WeakPolarHBondContact O-CG 3.41Å; T350-R354 PolarHBondContact O-N 2.92Å; T350-K406 HydrophobicContact CG2-CB 4.03Å
351	F	72.4	Confident	77.7	Confident	31 Å²	31	51.5 Å²	51.5	14%	0.136	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-45.9	172.7	-176.2	-94.4	0	0	0	112.2	N347 N349 N355 I356 D358 I361 L408	N347-F351 VanDerWaalsContact O-CB 3.26Å; N347-F351 WeakPolarHBondContact O-CB 3.45Å; N347-F351 PolarHBondContact O-N 2.88Å; N349-F351 VanDerWaalsContact C-N 3.27Å; N349-F351 PolarHBondContact O-N 2.76Å; F351-N355 PolarHBondContact O-N 2.84Å; F351-I356 HydrophobicContact CD2-CB 4.13Å; F351-I356 HydrophobicContact CD2-CG2 4.25Å; F351-I356 WeakPolarHBondContact CE1-O 3.45Å; F351-I356 HydrophobicContact CE2-CB 4.05Å; F351-I356 HydrophobicContact CE2-CG2 3.86Å; F351-I356 WeakPolarHBondContact CE2-O 3.45Å; F351-I356 WeakPolarHBondContact CZ-O 3.36Å; F351-I356 PolarHBondContact O-N 2.86Å; F351-D358 WeakPolarHBondContact CZ-OD1 3.45Å; F351-I361 HydrophobicContact CD2-CD1 3.6Å; F351-I361 HydrophobicContact CE2-CD1 3.39Å; F351-I361 HydrophobicContact CE2-CG1 4.13Å; F351-L408 HydrophobicContact CB-CD1 4.07Å; F351-L408 HydrophobicContact CD2-CD1 4.34Å
352	R	74.8	Confident	76.9	Confident	180 Å²	180	53.4 Å²	53.4	68%	0.679	25%	0.251	S	S	*	.	H	α-helix	trans	-69.8	-44.5	176.9	-72	172.8	-177.1	-173.4	1.9	112.4	Q348 N349 R354 N355	Q348-R352 WeakPolarHBondContact O-CB 3.13Å; Q348-R352 VanDerWaalsContact O-CG 3.24Å; Q348-R352 WeakPolarHBondContact O-CG 3.43Å; Q348-R352 PolarHBondContact O-N 3.05Å; Q348-R352 VanDerWaalsContact O-N 3.09Å; N349-R352 PolarHBondContact O-N 3.38Å; R352-R354 VanDerWaalsContact C-N 3.31Å; R352-R354 PolarHBondContact O-N 3.24Å; R352-N355 PolarHBondContact O-N 2.95Å; R352-N355 VanDerWaalsContact O-N 3.15Å
353	E	76.4	Confident	76	Confident	142 Å²	142	58.6 Å²	58.6	66%	0.664	27%	0.274	S	S	*	.	H	α-helix	trans	-59.2	-40.6	178.8	-75.6	166.4	-165.6	0	0	112.4	N349 N355	N349-E353 WeakPolarHBondContact O-CB 3.01Å; N349-E353 VanDerWaalsContact O-CG 3.29Å; N349-E353 WeakPolarHBondContact O-CG 3.23Å; N349-E353 PolarHBondContact O-N 3.2Å; E353-N355 VanDerWaalsContact C-N 3.29Å; E353-N355 PolarHBondContact O-N 3.19Å
354	R	72.1	Confident	75.2	Confident	76 Å²	76	59.2 Å²	59.2	29%	0.287	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	1.7	-179.5	-63.3	-175.6	-174.5	-160.1	1.8	113.5	T350 R352 I356 T400	T350-R354 WeakPolarHBondContact O-CB 3.24Å; T350-R354 WeakPolarHBondContact O-CG 3.41Å; T350-R354 PolarHBondContact O-N 2.92Å; R352-R354 VanDerWaalsContact C-N 3.31Å; R352-R354 PolarHBondContact O-N 3.24Å; R354-I356 HydrophobicContact CB-CD1 3.62Å; R354-I356 HydrophobicContact CB-CG1 3.74Å; R354-I356 HydrophobicContact CG-CD1 4.48Å; R354-I356 PolarHBondContact O-N 3.25Å; R354-T400 PolarHBondContact NH1-OG1 3.32Å; R354-T400 PolarHBondContact NH2-O 2.66Å
355	N	70.3	Confident	74.4	Confident	144 Å²	144	59.3 Å²	59.3	77%	0.77	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	42.5	-177.7	-161.7	16.5	0	0	0	113	F351 R352 E353	F351-N355 PolarHBondContact O-N 2.84Å; R352-N355 PolarHBondContact O-N 2.95Å; R352-N355 VanDerWaalsContact O-N 3.15Å; E353-N355 VanDerWaalsContact C-N 3.29Å; E353-N355 PolarHBondContact O-N 3.19Å
356	I	72.3	Confident	73.3	Confident	24 Å²	24	63.7 Å²	63.7	12%	0.123	30%	0.297	C	S	.	.			trans	-85.5	139.9	179.8	-61.9	168.9	0	0	0	108	F351 R354 I361 T395 L408	F351-I356 HydrophobicContact CD2-CB 4.13Å; F351-I356 HydrophobicContact CD2-CG2 4.25Å; F351-I356 WeakPolarHBondContact CE1-O 3.45Å; F351-I356 HydrophobicContact CE2-CB 4.05Å; F351-I356 HydrophobicContact CE2-CG2 3.86Å; F351-I356 WeakPolarHBondContact CE2-O 3.45Å; F351-I356 WeakPolarHBondContact CZ-O 3.36Å; F351-I356 PolarHBondContact O-N 2.86Å; R354-I356 HydrophobicContact CB-CD1 3.62Å; R354-I356 HydrophobicContact CB-CG1 3.74Å; R354-I356 HydrophobicContact CG-CD1 4.48Å; R354-I356 PolarHBondContact O-N 3.25Å; I356-I361 HydrophobicContact CG2-CD1 3.86Å; I356-I361 HydrophobicContact CG2-CG1 3.5Å; I356-I361 VanDerWaalsContact CG2-CG1 3.5Å; I356-T395 HydrophobicContact CD1-CG2 3.78Å; I356-T395 HydrophobicContact CG1-CG2 4.4Å; I356-T395 HydrophobicContact CG2-CG2 4.45Å; I356-L408 HydrophobicContact CD1-CD1 4.02Å; I356-L408 HydrophobicContact CD1-CD2 3.45Å; I356-L408 VanDerWaalsContact CD1-CD2 3.45Å; I356-L408 HydrophobicContact CD1-CG 4.36Å
357	T	73.8	Confident	72.1	Confident	74 Å²	74	64.4 Å²	64.4	45%	0.454	30%	0.302	S	S	.	.			trans	-98.6	150.6	175.4	72.7	0	0	0	0	111.1	R359 S360 I361	T357-R359 PolarHBondContact O-N 2.79Å; T357-S360 WeakPolarHBondContact O-CA 3.34Å; T357-S360 WeakPolarHBondContact O-CB 3.23Å; T357-S360 PolarHBondContact O-N 3.25Å; T357-S360 PolarHBondContact OG1-N 3.21Å; T357-S360 PolarHBondContact OG1-OG 2.82Å; T357-I361 PolarHBondContact O-N 2.91Å
358	D	73	Confident	70.6	Confident	71 Å²	71	64.2 Å²	64.2	38%	0.38	31%	0.305	S	S	.	.	H	α-helix	trans	-51.8	-43	177.9	-60.4	9.9	0	0	0	111.2	I213 F351 S360 I361 Q362	I213-D358 HydrophobicContact CD1-CB 3.63Å; I213-D358 WeakPolarHBondContact CD1-OD1 3.27Å; I213-D358 HydrophobicContact CG1-CB 4.08Å; F351-D358 WeakPolarHBondContact CZ-OD1 3.45Å; D358-S360 VanDerWaalsContact C-N 3.29Å; D358-S360 PolarHBondContact O-N 3.45Å; D358-I361 PolarHBondContact O-N 3.29Å; D358-Q362 VanDerWaalsContact O-CG 3.31Å; D358-Q362 WeakPolarHBondContact O-CG 3.21Å; D358-Q362 PolarHBondContact O-N 3.34Å
359	R	72.7	Confident	68.9	Low	180 Å²	180	66.8 Å²	66.8	68%	0.679	32%	0.319	S	S	*	.	H	α-helix	trans	-64.9	-31.4	179.6	-167.4	172.8	-172	166.9	1.5	113	T357 K363	T357-R359 PolarHBondContact O-N 2.79Å; R359-K363 WeakPolarHBondContact O-CG 3.4Å; R359-K363 PolarHBondContact O-N 3.27Å
360	S	70.3	Confident	67.1	Low	43 Å²	43	66.4 Å²	66.4	30%	0.301	32%	0.321	S	S	.	.	H	α-helix	trans	-68	-43.7	175.1	-63	0	0	0	0	110.8	T357 D358 K363 C364	T357-S360 WeakPolarHBondContact O-CA 3.34Å; T357-S360 WeakPolarHBondContact O-CB 3.23Å; T357-S360 PolarHBondContact O-N 3.25Å; T357-S360 PolarHBondContact OG1-N 3.21Å; T357-S360 PolarHBondContact OG1-OG 2.82Å; D358-S360 VanDerWaalsContact C-N 3.29Å; D358-S360 PolarHBondContact O-N 3.45Å; S360-K363 PolarHBondContact O-N 3.23Å; S360-C364 PolarHBondContact O-N 3.25Å
361	I	72	Confident	65.1	Low	0 Å²	0	70 Å²	70	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-66.3	-47.3	177.3	-63.4	-167.4	0	0	0	111	M279 L346 F351 I356 T357 D358 K363 C364 V365 L396 L408	M279-I361 HydrophobicContact CE-CG2 3.52Å; M279-I361 HydrophobicContact SD-CG2 3.56Å; M279-I361 VanDerWaalsContact SD-CG2 3.56Å; L346-I361 HydrophobicContact CD1-CD1 4.09Å; L346-I361 HydrophobicContact CD1-CG2 4.48Å; F351-I361 HydrophobicContact CD2-CD1 3.6Å; F351-I361 HydrophobicContact CE2-CD1 3.39Å; F351-I361 HydrophobicContact CE2-CG1 4.13Å; I356-I361 HydrophobicContact CG2-CD1 3.86Å; I356-I361 HydrophobicContact CG2-CG1 3.5Å; I356-I361 VanDerWaalsContact CG2-CG1 3.5Å; T357-I361 PolarHBondContact O-N 2.91Å; D358-I361 PolarHBondContact O-N 3.29Å; I361-K363 PolarHBondContact O-N 2.85Å; I361-C364 PolarHBondContact O-N 3.47Å; I361-V365 HydrophobicContact CG2-CG2 4.35Å; I361-V365 PolarHBondContact O-N 2.99Å; I361-L396 HydrophobicContact CG2-CD2 4.18Å; I361-L408 HydrophobicContact CD1-CD2 4.16Å
362	Q	72.1	Confident	63.1	Low	41 Å²	41	76.1 Å²	76.1	19%	0.192	39%	0.386	C	S	.	.	H	α-helix	trans	-56.1	-37.1	179.2	-74.4	172.4	-14.7	0	0	112.7	V209 S210 R211 M279 D358 C364	V209-Q362 HydrophobicContact CG1-CB 4.28Å; V209-Q362 HydrophobicContact CG1-CG 4.04Å; S210-Q362 PolarHBondContact O-NE2 3.04Å; R211-Q362 VanDerWaalsContact C-NE2 3.27Å; R211-Q362 PolarHBondContact O-NE2 2.82Å; M279-Q362 HydrophobicContact SD-CG 4.19Å; D358-Q362 VanDerWaalsContact O-CG 3.31Å; D358-Q362 WeakPolarHBondContact O-CG 3.21Å; D358-Q362 PolarHBondContact O-N 3.34Å; Q362-C364 VanDerWaalsContact C-N 3.34Å
363	K	69.6	Low	61.1	Low	111 Å²	111	74.3 Å²	74.3	48%	0.483	38%	0.383	S	S	.	.	H	α-helix	trans	-68.2	-32.2	175.5	-78.3	179.6	179.1	-178.4	0	112.9	R359 S360 I361	R359-K363 WeakPolarHBondContact O-CG 3.4Å; R359-K363 PolarHBondContact O-N 3.27Å; S360-K363 PolarHBondContact O-N 3.23Å; I361-K363 PolarHBondContact O-N 2.85Å
364	C	70.1	Confident	58.7	Low	12 Å²	12	73.7 Å²	73.7	8%	0.081	39%	0.389	C	S	.	.	H	α-helix	trans	-80.3	-23	-176.9	-75.3	0	0	0	0	114.1	S360 I361 Q362 C392 L396	S360-C364 PolarHBondContact O-N 3.25Å; I361-C364 PolarHBondContact O-N 3.47Å; Q362-C364 VanDerWaalsContact C-N 3.34Å; C364-C392 WeakPolarHBondContact CA-SG 3.34Å; C364-C392 HydrophobicContact CB-CB 3.62Å; C364-C392 WeakPolarHBondContact CB-SG 3.34Å; C364-C392 VanDerWaalsContact SG-CA 3.52Å; C364-C392 WeakPolarHBondContact SG-CB 3.23Å; C364-C392 CovalentContact SG-SG 2.05Å; C364-C392 PolarHBondContact SG-SG 2.03Å; C364-L396 HydrophobicContact CB-CD1 3.44Å; C364-L396 VanDerWaalsContact CB-CD1 3.44Å; C364-L396 HydrophobicContact CB-CG 4.36Å
365	V	69.5	Low	56.5	Low	4 Å²	4	74.2 Å²	74.2	2%	0.024	40%	0.404	C	S	.	.	H	α-helix	trans	-99.7	-8.6	-176	-172.5	0	0	0	0	113.1	M279 V281 Y344 I361 V367 L396	M279-V365 HydrophobicContact CE-CB 3.75Å; M279-V365 HydrophobicContact CE-CG1 3.93Å; M279-V365 HydrophobicContact CE-CG2 3.47Å; M279-V365 VanDerWaalsContact CE-CG2 3.47Å; V281-V365 HydrophobicContact CG2-CG1 3.72Å; Y344-V365 HydrophobicContact CD2-CG1 4.06Å; Y344-V365 HydrophobicContact CE1-CG1 4.21Å; Y344-V365 HydrophobicContact CE2-CG1 3.26Å; Y344-V365 WeakPolarHBondContact OH-CG1 3.44Å; I361-V365 HydrophobicContact CG2-CG2 4.35Å; I361-V365 PolarHBondContact O-N 2.99Å; V365-V367 PolarHBondContact O-N 2.03Å; V365-V367 VanDerWaalsContact O-N 3.14Å; V365-L396 HydrophobicContact CG2-CD1 3.55Å
366	K	62.3	Low	54.3	Low	91 Å²	91	72 Å²	72	40%	0.396	40%	0.398	S	S	.	.			trans	-70.6	109.6	174.6	-164.6	177.6	-175	-177.5	0	110	V209	V209-K366 HydrophobicContact CG2-CB 4.37Å; V209-K366 HydrophobicContact CG2-CG 4.41Å
367	V	57.4	Low	52.1	Low	16 Å²	16	77.5 Å²	77.5	10%	0.097	44%	0.435	C	S	.	.			trans	-133.3	110.9	-178.3	179.8	0	0	0	0	108.3	E207 Y340 V365 V436 M437 M439	E207-V367 PolarHBondContact OE1-N 3.34Å; Y340-V367 PolarHBondContact OH-O 3.24Å; V365-V367 PolarHBondContact O-N 2.03Å; V365-V367 VanDerWaalsContact O-N 3.14Å; V367-V436 HydrophobicContact CG2-CG1 4.39Å; V367-M437 HydrophobicContact CB-CB 3.95Å; V367-M437 HydrophobicContact CB-CG 4.48Å; V367-M437 HydrophobicContact CG1-CB 4Å; V367-M437 HydrophobicContact CG1-CG 4.13Å; V367-M437 WeakPolarHBondContact CG1-O 3.49Å; V367-M437 HydrophobicContact CG1-SD 4.44Å; V367-M437 HydrophobicContact CG2-CB 4.1Å; V367-M437 WeakPolarHBondContact CG2-O 3.26Å; V367-M439 HydrophobicContact CG1-CE 4.41Å
368	G	49.7	Very low	50	Low	17 Å²	17	77.6 Å²	77.6	18%	0.175	45%	0.45	C	S	.	.	S	Bend	trans	136.9	-40.1	175	0	0	0	0	0	113.8
369	I	43.5	Very low	47.8	Very low	72 Å²	72	82.9 Å²	82.9	37%	0.369	47%	0.47	S	S	.	.	S	Bend	trans	-96.4	-12.1	-176.5	-65.9	-164.9	0	0	0	114.8	E207 A371	E207-I369 HydrophobicContact CB-CD1 3.27Å; E207-I369 HydrophobicContact CB-CG1 3.56Å; E207-I369 WeakPolarHBondContact OE2-CG1 3.41Å; E207-I369 PolarHBondContact OE2-N 3.08Å; E207-I369 VanDerWaalsContact OE2-N 3.15Å; I369-A371 PolarHBondContact O-N 2.71Å; I369-A371 VanDerWaalsContact O-N 3.15Å
370	S	40.6	Very low	46.1	Very low	59 Å²	59	81.3 Å²	81.3	41%	0.413	48%	0.475	S	S	.	.			trans	-86.4	39.1	178	55.8	0	0	0	0	113.8	N372 F373	S370-N372 PolarHBondContact O-N 3.23Å; S370-F373 PolarHBondContact O-N 2.82Å
371	A	32.9	Very low	44	Very low	83 Å²	83	83.9 Å²	83.9	69%	0.686	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	62.1	160.9	0	0	0	0	0	110.1	I369	I369-A371 PolarHBondContact O-N 2.71Å; I369-A371 VanDerWaalsContact O-N 3.15Å
372	N	30.6	Very low	42.2	Very low	159 Å²	159	92.4 Å²	92.4	85%	0.85	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-159.9	26.7	159.5	-93.9	-19.8	0	0	0	110.9	S370	S370-N372 PolarHBondContact O-N 3.23Å
373	F	31.3	Very low	40	Very low	141 Å²	141	93.4 Å²	93.4	62%	0.618	56%	0.56	S	S	*	*			trans	-107	41	163.8	-115.4	-84.8	0	0	0	110.6	S370 S375 H386	S370-F373 PolarHBondContact O-N 2.82Å; F373-S375 PolarHBondContact O-N 2.86Å; F373-S375 VanDerWaalsContact O-N 3.11Å; F373-H386 AromaticContact CZ-ND1 3.71Å
374	V	26.6	Very low	38	Very low	130 Å²	130	97.8 Å²	97.8	79%	0.788	58%	0.579	S	S	*	*			trans	-76.5	88.4	155.5	-177.8	0	0	0	0	105.6	P376	V374-P376 WeakPolarHBondContact O-CD 3.25Å
375	S	26	Very low	36.1	Very low	86 Å²	86	100.3 Å²	100.3	60%	0.601	61%	0.607	S	S	*	*			trans	-59.3	125.6	156.1	-72.3	0	0	0	0	106.6	F373	F373-S375 PolarHBondContact O-N 2.86Å; F373-S375 VanDerWaalsContact O-N 3.11Å
376	P	23.8	Very low	34.3	Very low	99 Å²	99	106.7 Å²	106.7	64%	0.643	64%	0.636	S	S	*	*			trans	-54	140.1	169.2	-17.3	28.3	0	0	0	108.2	V374 G378	V374-P376 WeakPolarHBondContact O-CD 3.25Å; P376-G378 PolarHBondContact O-N 3.13Å
377	P	25.8	Very low	33	Very low	138 Å²	138	105.2 Å²	105.2	90%	0.896	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	114.8	175.8	26	-31	0	0	0	108
378	G	30.4	Very low	32.1	Very low	76 Å²	76	112.8 Å²	112.8	78%	0.784	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	118.4	24.8	167.9	0	0	0	0	0	119.3	P376	P376-G378 PolarHBondContact O-N 3.13Å
379	K	27.3	Very low	31.7	Very low	182 Å²	182	118.5 Å²	118.5	79%	0.791	69%	0.693	S	S	*	*			trans	-126.8	91	165.4	-82.8	-171.3	177.5	177.8	0	113.3	S381	K379-S381 PolarHBondContact O-N 3.44Å; K379-S381 PolarHBondContact O-OG 2.9Å
380	D	35.5	Very low	31.7	Very low	147 Å²	147	117 Å²	117	79%	0.786	70%	0.695	S	S	*	*			trans	-59	105.4	153.5	-77.5	-42.7	0	0	0	108.6	R388	D380-R388 IonicContact OD1-NH2 3.42Å; D380-R388 PolarHBondContact OD1-NH2 2.75Å
381	S	28	Very low	32.3	Very low	98 Å²	98	117.6 Å²	117.6	69%	0.685	69%	0.694	S	S	*	*			trans	-111	96.3	173.9	-48.2	0	0	0	0	107.8	K379 G383	K379-S381 PolarHBondContact O-N 3.44Å; K379-S381 PolarHBondContact O-OG 2.9Å; S381-G383 PolarHBondContact O-N 3.03Å
382	N	33.4	Very low	33.5	Very low	179 Å²	179	114.7 Å²	114.7	96%	0.957	67%	0.668	S	S	*	*			trans	-55.1	113.1	163.4	-98.3	-4.3	0	0	0	109.1
383	G	26.2	Very low	34.5	Very low	61 Å²	61	113.9 Å²	113.9	63%	0.629	66%	0.66	S	S	*	*			trans	154.5	96.5	170	0	0	0	0	0	115.1	S381	S381-G383 PolarHBondContact O-N 3.03Å
384	K	27.5	Very low	35.6	Very low	203 Å²	203	114.2 Å²	114.2	88%	0.883	66%	0.661	S	S	*	*	S	Bend	trans	60.8	93.7	159	-63.7	-177.7	178.5	178.2	0	117.6
385	G	29.4	Very low	36.9	Very low	66 Å²	66	109.8 Å²	109.8	68%	0.68	63%	0.634	S	S	*	*			trans	84.3	30.1	137.1	0	0	0	0	0	118.5
386	H	31.9	Very low	38.3	Very low	137 Å²	137	105.7 Å²	105.7	63%	0.634	61%	0.605	S	S	*	*			trans	-100	108.3	168.8	-70.8	-66.7	0	0	0	110.1	F373 R388	F373-H386 AromaticContact CZ-ND1 3.71Å; H386-R388 PolarHBondContact O-N 3.48Å
387	V	35.7	Very low	39.7	Very low	61 Å²	61	101.9 Å²	101.9	37%	0.37	58%	0.581	S	S	.	*			trans	-59.7	121	171.4	179.2	0	0	0	0	107.5	D391	V387-D391 HydrophobicContact CG1-CB 3.78Å
388	R	37.8	Very low	40.9	Very low	174 Å²	174	97.9 Å²	97.9	66%	0.657	55%	0.552	S	S	*	*			trans	-73.7	148.3	176.3	-73.9	176.8	162.9	166.1	-7.8	108.5	D380 H386 G390 D391	D380-R388 IonicContact OD1-NH2 3.42Å; D380-R388 PolarHBondContact OD1-NH2 2.75Å; H386-R388 PolarHBondContact O-N 3.48Å; R388-G390 PolarHBondContact O-N 2.76Å; R388-G390 VanDerWaalsContact O-N 3.09Å; R388-D391 PolarHBondContact N-OD2 3.36Å; R388-D391 WeakPolarHBondContact O-CB 3.42Å; R388-D391 PolarHBondContact O-N 2.99Å
389	V	40.9	Very low	41.4	Very low	137 Å²	137	101.9 Å²	101.9	83%	0.83	55%	0.548	S	S	*	.	H	α-helix	trans	-53.7	-33.2	179.2	176.3	0	0	0	0	112.1	D391 C392	V389-D391 VanDerWaalsContact C-N 3.31Å; V389-D391 PolarHBondContact O-N 2.96Å; V389-C392 PolarHBondContact O-N 2.96Å
390	G	44.8	Very low	42.1	Very low	41 Å²	41	95.6 Å²	95.6	42%	0.423	53%	0.525	S	S	.	.	H	α-helix	trans	-71.4	-13.6	173.9	0	0	0	0	0	116.1	R388	R388-G390 PolarHBondContact O-N 2.76Å; R388-G390 VanDerWaalsContact O-N 3.09Å
391	D	52.1	Low	42.3	Very low	72 Å²	72	93.5 Å²	93.5	39%	0.385	52%	0.517	S	S	.	.	H	α-helix	trans	-79.3	-29	173.7	-68.7	-35.3	0	0	0	111.5	V387 R388 V389 K394 T395	V387-D391 HydrophobicContact CG1-CB 3.78Å; R388-D391 PolarHBondContact N-OD2 3.36Å; R388-D391 WeakPolarHBondContact O-CB 3.42Å; R388-D391 PolarHBondContact O-N 2.99Å; V389-D391 VanDerWaalsContact C-N 3.31Å; V389-D391 PolarHBondContact O-N 2.96Å; D391-K394 PolarHBondContact O-N 3.42Å; D391-T395 VanDerWaalsContact O-CB 3.3Å; D391-T395 WeakPolarHBondContact O-CB 3.47Å; D391-T395 PolarHBondContact O-N 3.46Å; D391-T395 PolarHBondContact O-OG1 3.39Å
392	C	58.5	Low	42.9	Very low	21 Å²	21	91.7 Å²	91.7	14%	0.142	50%	0.504	C	S	.	.	H	α-helix	trans	-71.3	-35.1	178.9	-67.7	0	0	0	0	112.3	C364 V389 T395 L396	C364-C392 WeakPolarHBondContact CA-SG 3.34Å; C364-C392 HydrophobicContact CB-CB 3.62Å; C364-C392 WeakPolarHBondContact CB-SG 3.34Å; C364-C392 VanDerWaalsContact SG-CA 3.52Å; C364-C392 WeakPolarHBondContact SG-CB 3.23Å; C364-C392 CovalentContact SG-SG 2.05Å; C364-C392 PolarHBondContact SG-SG 2.03Å; V389-C392 PolarHBondContact O-N 2.96Å; C392-T395 PolarHBondContact O-N 3.04Å; C392-T395 VanDerWaalsContact O-N 3.17Å; C392-L396 PolarHBondContact O-N 3.09Å
393	E	51.8	Low	43.2	Very low	143 Å²	143	88.3 Å²	88.3	67%	0.668	50%	0.502	S	S	*	.	H	α-helix	trans	-65.1	-38.7	176.3	-157.4	176.3	-174	0	0	111.6	S397	E393-S397 WeakPolarHBondContact O-CB 3.02Å; E393-S397 PolarHBondContact O-N 3.34Å
394	K	53.6	Low	43.9	Very low	148 Å²	148	92.4 Å²	92.4	64%	0.643	51%	0.509	S	S	*	.	H	α-helix	trans	-72.4	-27.6	172.6	-67	-179.5	-177.8	176.8	0	113.4	D391 T400	D391-K394 PolarHBondContact O-N 3.42Å; K394-T400 PolarHBondContact O-OG1 3.24Å
395	T	54.1	Low	44.7	Very low	37 Å²	37	85.1 Å²	85.1	23%	0.227	49%	0.492	C	S	.	.	H	α-helix	trans	-84.9	-41.2	-174.1	-57.8	0	0	0	0	112.2	I356 D391 C392 L408	I356-T395 HydrophobicContact CD1-CG2 3.78Å; I356-T395 HydrophobicContact CG1-CG2 4.4Å; I356-T395 HydrophobicContact CG2-CG2 4.45Å; D391-T395 VanDerWaalsContact O-CB 3.3Å; D391-T395 WeakPolarHBondContact O-CB 3.47Å; D391-T395 PolarHBondContact O-N 3.46Å; D391-T395 PolarHBondContact O-OG1 3.39Å; C392-T395 PolarHBondContact O-N 3.04Å; C392-T395 VanDerWaalsContact O-N 3.17Å; T395-L408 HydrophobicContact CG2-CD2 4.19Å; T395-L408 WeakPolarHBondContact O-CD2 3.26Å
396	L	56.7	Low	45.8	Very low	0 Å²	0	88.4 Å²	88.4	0%	0	49%	0.487	C	S	.	.	H	α-helix	trans	-106.1	-18.1	-172.4	-67.5	171.2	0	0	0	114.7	I361 C364 V365 C392 N398 L408 V409 V436	I361-L396 HydrophobicContact CG2-CD2 4.18Å; C364-L396 HydrophobicContact CB-CD1 3.44Å; C364-L396 VanDerWaalsContact CB-CD1 3.44Å; C364-L396 HydrophobicContact CB-CG 4.36Å; V365-L396 HydrophobicContact CG2-CD1 3.55Å; C392-L396 PolarHBondContact O-N 3.09Å; L396-N398 PolarHBondContact O-N 3.31Å; L396-L408 HydrophobicContact CD2-CD2 4.27Å; L396-V409 HydrophobicContact CD2-CG2 3.87Å; L396-V436 HydrophobicContact CB-CG2 4.01Å; L396-V436 HydrophobicContact CD1-CG2 4Å
397	S	52.8	Low	47.3	Very low	19 Å²	19	83.3 Å²	83.3	13%	0.133	47%	0.469	C	S	.	.			trans	-65.9	130.3	-174.5	-174.4	0	0	0	0	111.9	E393 K399 T400	E393-S397 WeakPolarHBondContact O-CB 3.02Å; E393-S397 PolarHBondContact O-N 3.34Å; S397-K399 PolarHBondContact O-N 3.47Å; S397-K399 WeakPolarHBondContact OG-CB 3.41Å; S397-K399 PolarHBondContact OG-N 3.46Å; S397-T400 PolarHBondContact O-N 3.15Å; S397-T400 PolarHBondContact O-OG1 3.38Å
398	N	49.5	Very low	49	Very low	53 Å²	53	80.5 Å²	80.5	28%	0.283	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-10.3	168.5	-67.5	-8	0	0	0	113.3	L396 V409	L396-N398 PolarHBondContact O-N 3.31Å; N398-V409 PolarHBondContact OD1-O 2.99Å; N398-V409 VanDerWaalsContact OD1-O 3.08Å
399	K	41.2	Very low	50.8	Low	161 Å²	161	72.2 Å²	72.2	70%	0.7	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-15	-179.1	-62.2	-179.5	-179.4	173.4	0	114.3	S397 V401	S397-K399 PolarHBondContact O-N 3.47Å; S397-K399 WeakPolarHBondContact OG-CB 3.41Å; S397-K399 PolarHBondContact OG-N 3.46Å; K399-V401 VanDerWaalsContact C-N 3.31Å; K399-V401 PolarHBondContact O-N 3.19Å; K399-V401 VanDerWaalsContact O-N 3.08Å
400	T	42.2	Very low	52.5	Low	49 Å²	49	69.5 Å²	69.5	30%	0.301	40%	0.401	S	S	.	.			trans	-88.6	72.3	179.2	57.7	0	0	0	0	111.4	R354 K394 S397 S402	R354-T400 PolarHBondContact NH1-OG1 3.32Å; R354-T400 PolarHBondContact NH2-O 2.66Å; K394-T400 PolarHBondContact O-OG1 3.24Å; S397-T400 PolarHBondContact O-N 3.15Å; S397-T400 PolarHBondContact O-OG1 3.38Å; T400-S402 PolarHBondContact O-N 2.8Å
401	V	40.1	Very low	54.4	Low	104 Å²	104	71.1 Å²	71.1	63%	0.63	40%	0.396	S	S	*	.			trans	-65.3	111.3	170.5	-176.2	0	0	0	0	107.9	K399	K399-V401 VanDerWaalsContact C-N 3.31Å; K399-V401 PolarHBondContact O-N 3.19Å; K399-V401 VanDerWaalsContact O-N 3.08Å
402	S	40	Very low	55.9	Low	59 Å²	59	67.9 Å²	67.9	41%	0.413	38%	0.379	S	S	.	.			trans	-64.7	163.7	165.9	-175.9	0	0	0	0	109.3	T400 D404 G405	T400-S402 PolarHBondContact O-N 2.8Å; S402-D404 PolarHBondContact O-N 3.17Å; S402-G405 PolarHBondContact O-N 3.03Å
403	A	41.2	Very low	57.2	Low	109 Å²	109	67 Å²	67	90%	0.901	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-16.2	175.5	0	0	0	0	0	114.2
404	D	39.7	Very low	58.9	Low	146 Å²	146	60.6 Å²	60.6	78%	0.781	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	9.1	175.7	-68.1	-44.2	0	0	0	116	S402 K406	S402-D404 PolarHBondContact O-N 3.17Å; D404-K406 PolarHBondContact O-N 2.76Å
405	G	44.2	Very low	60.7	Low	51 Å²	51	53.7 Å²	53.7	53%	0.526	31%	0.314	S	S	.	.			trans	86.4	0.3	158.9	0	0	0	0	0	119.9	S402	S402-G405 PolarHBondContact O-N 3.03Å
406	K	53.4	Low	62.3	Low	135 Å²	135	52.6 Å²	52.6	59%	0.587	31%	0.307	S	S	*	.			trans	-112.5	132.5	-176.5	-64.6	-174.5	-177.8	179.6	0	114.3	T350 D404	T350-K406 HydrophobicContact CG2-CB 4.03Å; D404-K406 PolarHBondContact O-N 2.76Å
407	A	63.9	Low	63.8	Low	29 Å²	29	54.2 Å²	54.2	24%	0.24	31%	0.314	C	S	.	.			trans	-74.6	155.9	175.7	0	0	0	0	0	112.1	V409	A407-V409 WeakPolarHBondContact CB-O 3.28Å
408	L	70.8	Confident	65.5	Low	2 Å²	2	54 Å²	54	1%	0.01	32%	0.315	C	S	.	.	S	Bend	trans	-71.4	-46.2	174.9	179.1	67.7	0	0	0	111.5	N347 F351 I356 I361 T395 L396	N347-L408 PolarHBondContact N-O 3.26Å; N347-L408 VanDerWaalsContact N-O 3.15Å; F351-L408 HydrophobicContact CB-CD1 4.07Å; F351-L408 HydrophobicContact CD2-CD1 4.34Å; I356-L408 HydrophobicContact CD1-CD1 4.02Å; I356-L408 HydrophobicContact CD1-CD2 3.45Å; I356-L408 VanDerWaalsContact CD1-CD2 3.45Å; I356-L408 HydrophobicContact CD1-CG 4.36Å; I361-L408 HydrophobicContact CD1-CD2 4.16Å; T395-L408 HydrophobicContact CG2-CD2 4.19Å; T395-L408 WeakPolarHBondContact O-CD2 3.26Å; L396-L408 HydrophobicContact CD2-CD2 4.27Å
409	V	75.6	Confident	67.4	Low	0 Å²	0	52 Å²	52	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	118.5	171.9	-178.7	0	0	0	0	107	Y344 V345 L346 L396 N398 A407 V412	Y344-V409 HydrophobicContact CD1-CG1 4.06Å; Y344-V409 HydrophobicContact CD1-CG2 4.47Å; V345-V409 WeakPolarHBondContact O-CA 3.42Å; L346-V409 HydrophobicContact CD2-CG2 3.92Å; L396-V409 HydrophobicContact CD2-CG2 3.87Å; N398-V409 PolarHBondContact OD1-O 2.99Å; N398-V409 VanDerWaalsContact OD1-O 3.08Å; A407-V409 WeakPolarHBondContact CB-O 3.28Å; V409-V412 HydrophobicContact CG1-CG2 3.76Å
410	D	77.3	Confident	69.7	Low	80 Å²	80	46.3 Å²	46.3	43%	0.428	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-43.8	-179.3	-159.6	9.4	0	0	0	110.5	Y270 V345	Y270-D410 PolarHBondContact OH-OD2 3.42Å; V345-D410 HydrophobicContact CB-CB 4.38Å; V345-D410 HydrophobicContact CG1-CB 4.07Å; V345-D410 PolarHBondContact O-N 2.76Å
411	K	82.8	Confident	71.9	Confident	75 Å²	75	49 Å²	49	33%	0.326	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	146.4	178	-173.9	174.8	174.1	-167	0	110.3	D266 Y270 V345 M413	D266-K411 IonicContact OD2-NZ 3.38Å; D266-K411 PolarHBondContact OD2-NZ 2.9Å; Y270-K411 HydrophobicContact CE2-CB 4.49Å; Y270-K411 HydrophobicContact CE2-CD 4.06Å; V345-K411 HydrophobicContact CB-CB 4.42Å; V345-K411 WeakPolarHBondContact CB-O 3.14Å; V345-K411 HydrophobicContact CG2-CB 4.24Å; V345-K411 PolarHBondContact N-O 2.78Å; K411-M413 HydrophobicContact CD-CE 4.25Å; K411-M413 HydrophobicContact CD-CG 4.23Å; K411-M413 HydrophobicContact CG-CG 4.3Å
412	V	83.9	Confident	74.3	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.03	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.6	164.2	-172.6	0	0	0	0	107.6	L342 Y344 V409 T414 N432	L342-V412 HydrophobicContact CB-CG1 4.41Å; Y344-V412 HydrophobicContact CD1-CG1 4.29Å; Y344-V412 HydrophobicContact CD1-CG2 3.59Å; Y344-V412 HydrophobicContact CE1-CB 4.35Å; Y344-V412 HydrophobicContact CE1-CG1 3.93Å; Y344-V412 HydrophobicContact CE1-CG2 3.44Å; Y344-V412 VanDerWaalsContact CE1-CG2 3.44Å; Y344-V412 HydrophobicContact CE2-CG1 4.39Å; V409-V412 HydrophobicContact CG1-CG2 3.76Å; V412-T414 HydrophobicContact CG1-CG2 4.01Å; V412-N432 PolarHBondContact O-OD1 3.23Å
413	M	87.2	Confident	76.7	Confident	3 Å²	3	50 Å²	50	2%	0.015	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	133.7	172.8	-50.5	-180	-179	0	0	108.6	L263 D266 V267 Y270 L342 I343 V345 K411	L263-M413 HydrophobicContact CD1-CB 3.32Å; D266-M413 HydrophobicContact CB-SD 3.87Å; V267-M413 HydrophobicContact CB-SD 4.27Å; V267-M413 HydrophobicContact CG2-SD 3.45Å; V267-M413 WeakPolarHBondContact CG2-SD 3.44Å; Y270-M413 VanDerWaalsContact CB-CE 3.5Å; Y270-M413 HydrophobicContact CD1-CE 4.24Å; Y270-M413 HydrophobicContact CD2-CE 3.5Å; Y270-M413 VanDerWaalsContact CD2-CE 3.5Å; Y270-M413 HydrophobicContact CE2-CE 4.25Å; Y270-M413 HydrophobicContact CG-CE 3.47Å; Y270-M413 VanDerWaalsContact CG-CE 3.47Å; L342-M413 CarbonylContact C-O 3.59Å; L342-M413 WeakPolarHBondContact CA-O 3.42Å; I343-M413 HydrophobicContact CB-CB 4.32Å; I343-M413 PolarHBondContact N-O 3.09Å; I343-M413 PolarHBondContact O-N 3.48Å; V345-M413 HydrophobicContact CG2-CE 3.85Å; K411-M413 HydrophobicContact CD-CE 4.25Å; K411-M413 HydrophobicContact CD-CG 4.23Å; K411-M413 HydrophobicContact CG-CG 4.3Å
414	T	87.7	Confident	78.9	Confident	7 Å²	7	45.2 Å²	45.2	4%	0.043	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128.8	-168.4	64.4	0	0	0	0	110.9	L342 V412 R428 L431	L342-T414 HydrophobicContact CD2-CG2 3.92Å; V412-T414 HydrophobicContact CG1-CG2 4.01Å; T414-R428 VanDerWaalsContact OG1-CD 3.32Å; T414-R428 WeakPolarHBondContact OG1-CD 3.48Å; T414-R428 VanDerWaalsContact OG1-CG 3.27Å; T414-R428 WeakPolarHBondContact OG1-CG 3.39Å; T414-L431 HydrophobicContact CG2-CB 4.01Å; T414-L431 HydrophobicContact CG2-CD1 3.88Å
415	S	89.7	Confident	81.2	Confident	4 Å²	4	41 Å²	41	3%	0.028	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133	159.7	-176.2	0	0	0	0	109	F258 K260 Y340 E341	F258-S415 WeakPolarHBondContact O-CA 3.06Å; F258-S415 PolarHBondContact O-OG 3.25Å; K260-S415 WeakPolarHBondContact CA-OG 3.3Å; K260-S415 PolarHBondContact N-OG 2.95Å; Y340-S415 CarbonylContact C-O 3.55Å; Y340-S415 WeakPolarHBondContact CA-O 3.44Å; E341-S415 PolarHBondContact N-O 3.37Å; E341-S415 PolarHBondContact O-N 2.85Å
416	V	88.9	Confident	83.4	Confident	13 Å²	13	41.6 Å²	41.6	8%	0.079	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	123.2	177	-177.4	0	0	0	0	107.1	F258 A424 M427 W445	F258-V416 PolarHBondContact O-N 3.23Å; V416-A424 HydrophobicContact CG1-CB 4.06Å; V416-M427 HydrophobicContact CG1-SD 3.99Å; V416-M427 HydrophobicContact CG2-CE 4.49Å; V416-M427 HydrophobicContact CG2-CG 4.49Å; V416-M427 HydrophobicContact CG2-SD 3.81Å; V416-W445 HydrophobicContact CG1-CZ2 4.41Å; V416-W445 VanDerWaalsContact CG1-NE1 3.34Å
417	K	87.8	Confident	85	Confident	34 Å²	34	35.2 Å²	35.2	15%	0.148	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.8	175.5	-70.1	-170.1	172.2	-165	0	108.9	D163 G338 E339 A454	D163-K417 IonicContact OD2-NZ 2.73Å; D163-K417 PolarHBondContact OD2-NZ 3.41Å; D163-K417 VanDerWaalsContact OD2-NZ 3.14Å; G338-K417 CarbonylContact C-O 3.57Å; G338-K417 VanDerWaalsContact CA-O 3.24Å; G338-K417 WeakPolarHBondContact CA-O 3.49Å; E339-K417 PolarHBondContact N-O 3.11Å; E339-K417 PolarHBondContact O-N 3.48Å; K417-A454 HydrophobicContact CB-CB 3.91Å
418	G	87.6	Confident	86	Confident	15 Å²	15	37.3 Å²	37.3	16%	0.155	20%	0.201	C	C	.	.	S	Bend	trans	80.6	164.7	-177.8	0	0	0	0	0	112.2	W445 A452 A454	G418-W445 PolarHBondContact O-NE1 3.33Å; G418-A452 CarbonylContact C-O 3.59Å; G418-A452 VanDerWaalsContact CA-O 3.28Å; G418-A452 WeakPolarHBondContact CA-O 3.31Å; G418-A454 VanDerWaalsContact N-CB 3.3Å
419	G	89.8	Confident	86.7	Confident	10 Å²	10	39.9 Å²	39.9	10%	0.103	22%	0.223	C	C	.	.	S	Bend	trans	84	154.7	-166.6	0	0	0	0	0	111.9	S448 A452	G419-S448 WeakPolarHBondContact CA-OG 3.41Å; G419-A452 PolarHBondContact N-O 3.15Å; G419-A452 WeakPolarHBondContact O-CB 3.48Å
420	T	90.9	Very high	87.2	Confident	43 Å²	43	40.5 Å²	40.5	26%	0.264	23%	0.225	S	C	.	.			trans	-63.3	152.1	179.4	59.2	0	0	0	0	110.8	E422 T423 A424 S448 D451 A452	T420-E422 PolarHBondContact O-N 2.86Å; T420-T423 PolarHBondContact N-OG1 3.42Å; T420-T423 PolarHBondContact O-N 2.78Å; T420-T423 PolarHBondContact O-OG1 3.04Å; T420-T423 WeakPolarHBondContact OG1-CG2 3.46Å; T420-T423 PolarHBondContact OG1-OG1 3.36Å; T420-A424 PolarHBondContact O-N 2.84Å; T420-S448 PolarHBondContact N-OG 3.38Å; T420-D451 HydrophobicContact CG2-CB 4.26Å; T420-A452 HydrophobicContact CG2-CB 4.35Å
421	L	87.7	Confident	87.4	Confident	104 Å²	104	36.7 Å²	36.7	55%	0.545	21%	0.205	S	C	.	.	H	α-helix	trans	-50.7	-45.3	-177.1	-161.9	66.2	0	0	0	112.9	L256 A424 V425	L256-L421 HydrophobicContact CB-CD1 4.04Å; L256-L421 HydrophobicContact CD1-CD1 3.23Å; L256-L421 HydrophobicContact CD1-CD2 3.86Å; L256-L421 HydrophobicContact CD1-CG 3.5Å; L256-L421 VanDerWaalsContact CD1-CG 3.5Å; L256-L421 HydrophobicContact CG-CD1 3.58Å; L256-L421 HydrophobicContact CG-CD2 4.34Å; L256-L421 HydrophobicContact CG-CG 4.25Å; L421-A424 PolarHBondContact O-N 2.89Å; L421-V425 WeakPolarHBondContact O-CB 3.38Å; L421-V425 VanDerWaalsContact O-CG2 3.22Å; L421-V425 WeakPolarHBondContact O-CG2 3.45Å; L421-V425 PolarHBondContact O-N 3.17Å
422	E	89.9	Confident	87.3	Confident	160 Å²	160	36.6 Å²	36.6	75%	0.748	21%	0.208	S	C	*	.	H	α-helix	trans	-58.2	-49.4	179.3	-176	-178.2	178	0	0	111.9	T420 V425 S426	T420-E422 PolarHBondContact O-N 2.86Å; E422-V425 PolarHBondContact O-N 2.88Å; E422-S426 VanDerWaalsContact O-CB 3.26Å; E422-S426 WeakPolarHBondContact O-CB 3.26Å; E422-S426 PolarHBondContact O-N 2.77Å
423	T	91.1	Very high	87	Confident	24 Å²	24	44.3 Å²	44.3	15%	0.147	24%	0.237	C	C	.	.	H	α-helix	trans	-68.6	-37.8	-178.7	60.6	0	0	0	0	112.4	T420 M427 S448	T420-T423 PolarHBondContact N-OG1 3.42Å; T420-T423 PolarHBondContact O-N 2.78Å; T420-T423 PolarHBondContact O-OG1 3.04Å; T420-T423 WeakPolarHBondContact OG1-CG2 3.46Å; T420-T423 PolarHBondContact OG1-OG1 3.36Å; T423-M427 VanDerWaalsContact O-CB 3.27Å; T423-M427 WeakPolarHBondContact O-CB 3.37Å; T423-M427 PolarHBondContact O-N 3.31Å; T423-S448 PolarHBondContact OG1-OG 3.21Å
424	A	87.8	Confident	86.4	Confident	9 Å²	9	46.1 Å²	46.1	7%	0.074	25%	0.245	C	C	.	.	H	α-helix	trans	-67.1	-42.6	177	0	0	0	0	0	112.2	V416 T420 L421 M427 R428	V416-A424 HydrophobicContact CG1-CB 4.06Å; T420-A424 PolarHBondContact O-N 2.84Å; L421-A424 PolarHBondContact O-N 2.89Å; A424-M427 PolarHBondContact O-N 3.3Å; A424-R428 PolarHBondContact O-N 2.92Å; A424-R428 VanDerWaalsContact O-N 3.09Å
425	V	88.1	Confident	85.6	Confident	58 Å²	58	45.8 Å²	45.8	35%	0.352	24%	0.243	S	C	.	.	H	α-helix	trans	-63.8	-46.9	175	171.4	0	0	0	0	110.8	L256 F258 L421 E422 M427 R428 A429	L256-V425 HydrophobicContact CD1-CG2 3.32Å; F258-V425 HydrophobicContact CE2-CG2 3.62Å; F258-V425 HydrophobicContact CZ-CG2 4.12Å; L421-V425 WeakPolarHBondContact O-CB 3.38Å; L421-V425 VanDerWaalsContact O-CG2 3.22Å; L421-V425 WeakPolarHBondContact O-CG2 3.45Å; L421-V425 PolarHBondContact O-N 3.17Å; E422-V425 PolarHBondContact O-N 2.88Å; V425-M427 VanDerWaalsContact C-N 3.31Å; V425-M427 PolarHBondContact O-N 2.92Å; V425-R428 PolarHBondContact O-N 2.99Å; V425-A429 WeakPolarHBondContact O-CB 3.25Å; V425-A429 PolarHBondContact O-N 3.29Å
426	S	88.9	Confident	84.9	Confident	64 Å²	64	47.2 Å²	47.2	45%	0.448	25%	0.252	S	S	.	.	H	α-helix	trans	-58	-45	177.7	-178.6	0	0	0	0	111.3	E422 R428 A429 Q430	E422-S426 VanDerWaalsContact O-CB 3.26Å; E422-S426 WeakPolarHBondContact O-CB 3.26Å; E422-S426 PolarHBondContact O-N 2.77Å; S426-R428 PolarHBondContact O-N 3.34Å; S426-A429 PolarHBondContact O-N 3.05Å; S426-Q430 VanDerWaalsContact O-CB 3.3Å; S426-Q430 WeakPolarHBondContact O-CB 3.42Å; S426-Q430 PolarHBondContact O-N 2.02Å
427	M	87.6	Confident	84.4	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-58.2	-48.4	176.1	-175.8	-178.7	-172.5	0	0	112.5	Y340 V416 T423 A424 V425 Q430 L431 M437 T441 W445	Y340-M427 HydrophobicContact CD1-CE 3.89Å; Y340-M427 HydrophobicContact CD2-CE 4.2Å; Y340-M427 HydrophobicContact CG-CE 3.67Å; V416-M427 HydrophobicContact CG1-SD 3.99Å; V416-M427 HydrophobicContact CG2-CE 4.49Å; V416-M427 HydrophobicContact CG2-CG 4.49Å; V416-M427 HydrophobicContact CG2-SD 3.81Å; T423-M427 VanDerWaalsContact O-CB 3.27Å; T423-M427 WeakPolarHBondContact O-CB 3.37Å; T423-M427 PolarHBondContact O-N 3.31Å; A424-M427 PolarHBondContact O-N 3.3Å; V425-M427 VanDerWaalsContact C-N 3.31Å; V425-M427 PolarHBondContact O-N 2.92Å; M427-Q430 PolarHBondContact O-N 2.78Å; M427-L431 HydrophobicContact CE-CD1 4.48Å; M427-L431 HydrophobicContact CG-CD1 3.96Å; M427-L431 WeakPolarHBondContact O-CB 3.47Å; M427-L431 WeakPolarHBondContact O-CD1 3.45Å; M427-L431 VanDerWaalsContact O-CG 3.26Å; M427-L431 WeakPolarHBondContact O-CG 3.33Å; M427-L431 PolarHBondContact O-N 3.11Å; M427-M437 HydrophobicContact CE-CE 3.1Å; M427-M437 HydrophobicContact CE-SD 3.66Å; M427-T441 HydrophobicContact CB-CG2 3.92Å; M427-T441 HydrophobicContact CG-CG2 4.13Å; M427-W445 HydrophobicContact SD-CB 4.23Å; M427-W445 HydrophobicContact SD-CD2 4.15Å; M427-W445 HydrophobicContact SD-CG 3.91Å
428	R	84.8	Confident	84.1	Confident	73 Å²	73	49.5 Å²	49.5	28%	0.275	26%	0.262	S	S	.	.	H	α-helix	trans	-64.3	-43.4	176.2	173.4	170.5	167.6	153.9	-10.6	112.2	N257 F258 T414 A424 V425 S426 Q430 L431 N432	N257-R428 PolarHBondContact O-NH1 2.75Å; F258-R428 HydrophobicContact CE1-CG 4.49Å; T414-R428 VanDerWaalsContact OG1-CD 3.32Å; T414-R428 WeakPolarHBondContact OG1-CD 3.48Å; T414-R428 VanDerWaalsContact OG1-CG 3.27Å; T414-R428 WeakPolarHBondContact OG1-CG 3.39Å; A424-R428 PolarHBondContact O-N 2.92Å; A424-R428 VanDerWaalsContact O-N 3.09Å; V425-R428 PolarHBondContact O-N 2.99Å; S426-R428 PolarHBondContact O-N 3.34Å; R428-Q430 VanDerWaalsContact C-N 3.33Å; R428-Q430 PolarHBondContact O-N 3.04Å; R428-L431 PolarHBondContact O-N 3.2Å; R428-N432 WeakPolarHBondContact CG-ND2 3.27Å; R428-N432 VanDerWaalsContact O-CB 3.32Å; R428-N432 WeakPolarHBondContact O-CB 3.42Å; R428-N432 PolarHBondContact O-N 2.84Å; R428-N432 PolarHBondContact O-ND2 2.71Å
429	A	86.3	Confident	83.8	Confident	57 Å²	57	52.4 Å²	52.4	47%	0.471	27%	0.273	S	S	.	.	H	α-helix	trans	-61.9	-43	179.9	0	0	0	0	0	111.6	V425 S426 R433	V425-A429 WeakPolarHBondContact O-CB 3.25Å; V425-A429 PolarHBondContact O-N 3.29Å; S426-A429 PolarHBondContact O-N 3.05Å; A429-R433 WeakPolarHBondContact O-CB 3.17Å; A429-R433 PolarHBondContact O-N 3.36Å; A429-R433 VanDerWaalsContact O-N 3.1Å
430	Q	86.1	Confident	83.6	Confident	12 Å²	12	55.1 Å²	55.1	6%	0.056	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-49	176.2	-176	-84.3	-32.4	0	0	111.2	S426 M427 R428 N432 R433 E434 V436	S426-Q430 VanDerWaalsContact O-CB 3.3Å; S426-Q430 WeakPolarHBondContact O-CB 3.42Å; S426-Q430 PolarHBondContact O-N 2.02Å; M427-Q430 PolarHBondContact O-N 2.78Å; R428-Q430 VanDerWaalsContact C-N 3.33Å; R428-Q430 PolarHBondContact O-N 3.04Å; Q430-N432 PolarHBondContact O-N 2.63Å; Q430-R433 PolarHBondContact O-N 3.22Å; Q430-R433 VanDerWaalsContact O-N 3.12Å; Q430-E434 PolarHBondContact NE2-OE2 3.46Å; Q430-E434 PolarHBondContact O-N 3.38Å; Q430-V436 PolarHBondContact NE2-O 3.26Å; Q430-V436 PolarHBondContact OE1-O 2.9Å
431	L	81.5	Confident	83.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-40.4	177.2	-75.9	166.3	0	0	0	113.1	L342 T414 M427 R428 R433 G435 M437	L342-L431 HydrophobicContact CD1-CD1 4.19Å; L342-L431 HydrophobicContact CD1-CD2 3.94Å; L342-L431 HydrophobicContact CD2-CD1 3.56Å; T414-L431 HydrophobicContact CG2-CB 4.01Å; T414-L431 HydrophobicContact CG2-CD1 3.88Å; M427-L431 HydrophobicContact CE-CD1 4.48Å; M427-L431 HydrophobicContact CG-CD1 3.96Å; M427-L431 WeakPolarHBondContact O-CB 3.47Å; M427-L431 WeakPolarHBondContact O-CD1 3.45Å; M427-L431 VanDerWaalsContact O-CG 3.26Å; M427-L431 WeakPolarHBondContact O-CG 3.33Å; M427-L431 PolarHBondContact O-N 3.11Å; R428-L431 PolarHBondContact O-N 3.2Å; L431-R433 VanDerWaalsContact C-N 3.29Å; L431-R433 PolarHBondContact O-N 3.37Å; L431-G435 VanDerWaalsContact O-CA 3.31Å; L431-G435 WeakPolarHBondContact O-CA 3.49Å; L431-G435 PolarHBondContact O-N 2.76Å; L431-M437 HydrophobicContact CD1-CE 4.33Å; L431-M437 HydrophobicContact CD2-CB 3.94Å
432	N	79.4	Confident	83.5	Confident	74 Å²	74	49.9 Å²	49.9	40%	0.396	26%	0.26	S	S	.	.	H	α-helix	trans	-65.3	-33.6	176.2	-75.1	-22	0	0	0	112.4	V412 R428 Q430	V412-N432 PolarHBondContact O-OD1 3.23Å; R428-N432 WeakPolarHBondContact CG-ND2 3.27Å; R428-N432 VanDerWaalsContact O-CB 3.32Å; R428-N432 WeakPolarHBondContact O-CB 3.42Å; R428-N432 PolarHBondContact O-N 2.84Å; R428-N432 PolarHBondContact O-ND2 2.71Å; Q430-N432 PolarHBondContact O-N 2.63Å
433	R	79.1	Confident	83.4	Confident	167 Å²	167	46.2 Å²	46.2	63%	0.63	24%	0.243	S	C	*	.	H	α-helix	trans	-79.8	-44.5	-179.2	-174.9	177.9	74.9	-176	0.5	112.5	A429 Q430 L431	A429-R433 WeakPolarHBondContact O-CB 3.17Å; A429-R433 PolarHBondContact O-N 3.36Å; A429-R433 VanDerWaalsContact O-N 3.1Å; Q430-R433 PolarHBondContact O-N 3.22Å; Q430-R433 VanDerWaalsContact O-N 3.12Å; L431-R433 VanDerWaalsContact C-N 3.29Å; L431-R433 PolarHBondContact O-N 3.37Å
434	E	73.1	Confident	83.5	Confident	40 Å²	40	48.1 Å²	48.1	19%	0.187	26%	0.257	C	S	.	.	H	α-helix	trans	-107.1	-22.6	-166.1	-71.7	169.5	-161.4	0	0	113.6	Q430 V436	Q430-E434 PolarHBondContact NE2-OE2 3.46Å; Q430-E434 PolarHBondContact O-N 3.38Å; E434-V436 PolarHBondContact O-N 2.78Å
435	G	71.3	Confident	83.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	69.9	12.9	-179.9	0	0	0	0	0	114.1	Y344 L431	Y344-G435 WeakPolarHBondContact CE1-O 3.41Å; L431-G435 VanDerWaalsContact O-CA 3.31Å; L431-G435 WeakPolarHBondContact O-CA 3.49Å; L431-G435 PolarHBondContact O-N 2.76Å
436	V	74.4	Confident	83.8	Confident	35 Å²	35	46 Å²	46	21%	0.212	25%	0.246	C	C	.	.	S	Bend	trans	-146	142.5	175.2	-166.4	0	0	0	0	107.6	V367 L396 Q430 E434	V367-V436 HydrophobicContact CG2-CG1 4.39Å; L396-V436 HydrophobicContact CB-CG2 4.01Å; L396-V436 HydrophobicContact CD1-CG2 4Å; Q430-V436 PolarHBondContact NE2-O 3.26Å; Q430-V436 PolarHBondContact OE1-O 2.9Å; E434-V436 PolarHBondContact O-N 2.78Å
437	M	79.4	Confident	83.9	Confident	10 Å²	10	51.6 Å²	51.6	5%	0.049	26%	0.258	C	S	.	.			trans	-75.8	127.8	177.9	-170.2	175.8	-58.3	0	0	110.8	Y340 L342 V367 M427 L431 Y442	Y340-M437 HydrophobicContact CD1-CE 4.42Å; Y340-M437 HydrophobicContact CD2-CE 3.6Å; Y340-M437 HydrophobicContact CE1-CE 4.28Å; Y340-M437 HydrophobicContact CE1-SD 4.5Å; Y340-M437 HydrophobicContact CE2-CE 3.42Å; Y340-M437 VanDerWaalsContact CE2-CE 3.42Å; Y340-M437 HydrophobicContact CE2-SD 4.41Å; Y340-M437 HydrophobicContact CG-CE 4.1Å; L342-M437 HydrophobicContact CD1-CE 3.77Å; V367-M437 HydrophobicContact CB-CB 3.95Å; V367-M437 HydrophobicContact CB-CG 4.48Å; V367-M437 HydrophobicContact CG1-CB 4Å; V367-M437 HydrophobicContact CG1-CG 4.13Å; V367-M437 WeakPolarHBondContact CG1-O 3.49Å; V367-M437 HydrophobicContact CG1-SD 4.44Å; V367-M437 HydrophobicContact CG2-CB 4.1Å; V367-M437 WeakPolarHBondContact CG2-O 3.26Å; M427-M437 HydrophobicContact CE-CE 3.1Å; M427-M437 HydrophobicContact CE-SD 3.66Å; L431-M437 HydrophobicContact CD1-CE 4.33Å; L431-M437 HydrophobicContact CD2-CB 3.94Å; M437-Y442 HydrophobicContact SD-CD2 3.88Å; M437-Y442 HydrophobicContact SD-CG 4.24Å
438	E	81.4	Confident	84.1	Confident	85 Å²	85	52 Å²	52	40%	0.397	26%	0.261	S	S	.	.			trans	-78.1	142.5	169.3	-81.6	-175.2	173.5	0	0	111.6	S440 T441 Y442	E438-S440 VanDerWaalsContact C-N 3.33Å; E438-S440 PolarHBondContact O-N 3.01Å; E438-S440 PolarHBondContact OE2-OG 3.09Å; E438-T441 PolarHBondContact O-N 2.81Å; E438-Y442 PolarHBondContact O-N 3.37Å
439	M	82.2	Confident	84.4	Confident	76 Å²	76	48.6 Å²	48.6	37%	0.374	25%	0.248	S	C	.	.	H	α-helix	trans	-63.4	-37.5	178.5	-177	61.8	73.2	0	0	112.5	V367 Y442 Q443	V367-M439 HydrophobicContact CG1-CE 4.41Å; M439-Y442 PolarHBondContact O-N 3.33Å; M439-Y442 HydrophobicContact SD-CD1 4.09Å; M439-Q443 HydrophobicContact CG-CG 4.5Å; M439-Q443 WeakPolarHBondContact O-CB 3.17Å; M439-Q443 VanDerWaalsContact O-CG 3.28Å; M439-Q443 WeakPolarHBondContact O-CG 3.21Å; M439-Q443 PolarHBondContact O-N 2.81Å; M439-Q443 HydrophobicContact SD-CG 4.36Å
440	S	85.3	Confident	84.6	Confident	66 Å²	66	47.5 Å²	47.5	46%	0.462	24%	0.238	S	C	.	.	H	α-helix	trans	-59.3	-48.1	174.3	44.7	0	0	0	0	111.2	E438 Q443 S444	E438-S440 VanDerWaalsContact C-N 3.33Å; E438-S440 PolarHBondContact O-N 3.01Å; E438-S440 PolarHBondContact OE2-OG 3.09Å; S440-Q443 PolarHBondContact O-N 3.47Å; S440-S444 PolarHBondContact O-N 3.16Å; S440-S444 PolarHBondContact O-OG 3.22Å
441	T	88.1	Confident	84.8	Confident	18 Å²	18	52.2 Å²	52.2	11%	0.11	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-46.4	178.1	-60.9	0	0	0	0	111.3	M427 E438 Q443 S444 W445	M427-T441 HydrophobicContact CB-CG2 3.92Å; M427-T441 HydrophobicContact CG-CG2 4.13Å; E438-T441 PolarHBondContact O-N 2.81Å; T441-Q443 PolarHBondContact O-N 2.84Å; T441-S444 PolarHBondContact O-N 3.41Å; T441-W445 PolarHBondContact O-N 3.43Å
442	Y	87.8	Confident	85.3	Confident	20 Å²	20	53.8 Å²	53.8	8%	0.078	28%	0.277	C	S	.	.	H	α-helix	trans	-57.8	-47.8	174.2	171.7	-102.2	0	0	0	112.2	Y340 M437 E438 M439 S444 W445 A446	Y340-Y442 HydrophobicContact CE1-CD2 4.09Å; Y340-Y442 AromaticContact CE1-CE2 3.85Å; Y340-Y442 HydrophobicContact CE1-CE2 3.85Å; M437-Y442 HydrophobicContact SD-CD2 3.88Å; M437-Y442 HydrophobicContact SD-CG 4.24Å; E438-Y442 PolarHBondContact O-N 3.37Å; M439-Y442 PolarHBondContact O-N 3.33Å; M439-Y442 HydrophobicContact SD-CD1 4.09Å; Y442-S444 PolarHBondContact O-N 2.9Å; Y442-W445 HydrophobicContact CD2-CE3 4.08Å; Y442-W445 HydrophobicContact CD2-CZ3 4.26Å; Y442-W445 HydrophobicContact CE2-CE3 4.1Å; Y442-W445 AromaticContact CE2-CZ3 3.87Å; Y442-W445 HydrophobicContact CE2-CZ3 3.87Å; Y442-W445 PolarHBondContact O-N 3.35Å; Y442-A446 HydrophobicContact CE1-CB 4.48Å; Y442-A446 VanDerWaalsContact O-CB 3.28Å; Y442-A446 WeakPolarHBondContact O-CB 3.21Å; Y442-A446 PolarHBondContact O-N 3.12Å
443	Q	88.9	Confident	85.9	Confident	82 Å²	82	50.7 Å²	50.7	38%	0.383	26%	0.261	S	S	.	.	H	α-helix	trans	-64.7	-39.7	-179.5	-74.4	177.2	0.3	0	0	112.5	M439 S440 T441 A446 R447	M439-Q443 HydrophobicContact CG-CG 4.5Å; M439-Q443 WeakPolarHBondContact O-CB 3.17Å; M439-Q443 VanDerWaalsContact O-CG 3.28Å; M439-Q443 WeakPolarHBondContact O-CG 3.21Å; M439-Q443 PolarHBondContact O-N 2.81Å; M439-Q443 HydrophobicContact SD-CG 4.36Å; S440-Q443 PolarHBondContact O-N 3.47Å; T441-Q443 PolarHBondContact O-N 2.84Å; Q443-A446 PolarHBondContact O-N 2.87Å; Q443-R447 WeakPolarHBondContact O-CB 3.37Å; Q443-R447 VanDerWaalsContact O-CG 3.3Å; Q443-R447 WeakPolarHBondContact O-CG 3.48Å; Q443-R447 PolarHBondContact O-N 3.43Å
444	S	91.8	Very high	86.5	Confident	64 Å²	64	43.6 Å²	43.6	45%	0.448	24%	0.238	S	C	.	.	H	α-helix	trans	-63.3	-45.3	176.3	-67.6	0	0	0	0	111.6	S440 T441 Y442 S448	S440-S444 PolarHBondContact O-N 3.16Å; S440-S444 PolarHBondContact O-OG 3.22Å; T441-S444 PolarHBondContact O-N 3.41Å; Y442-S444 PolarHBondContact O-N 2.9Å; S444-S448 PolarHBondContact O-N 3.07Å
445	W	92.1	Very high	87.4	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-49.9	172.5	170	74.8	0	0	0	111.8	V285 Y340 V416 G418 M427 T441 Y442 R447 S448 I449	V285-W445 HydrophobicContact CG2-CH2 4.29Å; V285-W445 HydrophobicContact CG2-CZ3 3.99Å; Y340-W445 HydrophobicContact CD1-CE3 4.37Å; Y340-W445 AromaticContact CD1-CH2 3.72Å; Y340-W445 HydrophobicContact CD1-CH2 3.72Å; Y340-W445 HydrophobicContact CD1-CZ2 4.47Å; Y340-W445 AromaticContact CD1-CZ3 3.67Å; Y340-W445 HydrophobicContact CD1-CZ3 3.67Å; Y340-W445 HydrophobicContact CE1-CH2 4.48Å; Y340-W445 HydrophobicContact CE1-CZ3 4.1Å; V416-W445 HydrophobicContact CG1-CZ2 4.41Å; V416-W445 VanDerWaalsContact CG1-NE1 3.34Å; G418-W445 PolarHBondContact O-NE1 3.33Å; M427-W445 HydrophobicContact SD-CB 4.23Å; M427-W445 HydrophobicContact SD-CD2 4.15Å; M427-W445 HydrophobicContact SD-CG 3.91Å; T441-W445 PolarHBondContact O-N 3.43Å; Y442-W445 HydrophobicContact CD2-CE3 4.08Å; Y442-W445 HydrophobicContact CD2-CZ3 4.26Å; Y442-W445 HydrophobicContact CE2-CE3 4.1Å; Y442-W445 AromaticContact CE2-CZ3 3.87Å; Y442-W445 HydrophobicContact CE2-CZ3 3.87Å; Y442-W445 PolarHBondContact O-N 3.35Å; W445-R447 VanDerWaalsContact C-N 3.27Å; W445-R447 PolarHBondContact O-N 3.12Å; W445-S448 PolarHBondContact O-N 3.09Å; W445-S448 PolarHBondContact O-OG 2.79Å; W445-I449 HydrophobicContact CD2-CD1 4.29Å; W445-I449 HydrophobicContact CE3-CD1 4.2Å; W445-I449 HydrophobicContact CH2-CD1 3.74Å; W445-I449 HydrophobicContact CZ2-CD1 3.83Å; W445-I449 HydrophobicContact CZ2-CG1 4.28Å; W445-I449 HydrophobicContact CZ3-CD1 3.92Å; W445-I449 WeakPolarHBondContact O-CG1 3.35Å; W445-I449 PolarHBondContact O-N 2.64Å
446	A	90.6	Very high	88.3	Confident	24 Å²	24	43.8 Å²	43.8	20%	0.198	24%	0.24	C	C	.	.	H	α-helix	trans	-60.1	-35.9	-176.4	0	0	0	0	0	113	Y442 Q443	Y442-A446 HydrophobicContact CE1-CB 4.48Å; Y442-A446 VanDerWaalsContact O-CB 3.28Å; Y442-A446 WeakPolarHBondContact O-CB 3.21Å; Y442-A446 PolarHBondContact O-N 3.12Å; Q443-A446 PolarHBondContact O-N 2.87Å
447	R	89.9	Confident	89.1	Confident	181 Å²	181	46.4 Å²	46.4	68%	0.683	25%	0.25	S	S	*	.	H	α-helix	trans	-69.6	-35.1	175.7	-74.8	174.6	-178.9	151.6	3.1	112.7	Q443 W445 I449	Q443-R447 WeakPolarHBondContact O-CB 3.37Å; Q443-R447 VanDerWaalsContact O-CG 3.3Å; Q443-R447 WeakPolarHBondContact O-CG 3.48Å; Q443-R447 PolarHBondContact O-N 3.43Å; W445-R447 VanDerWaalsContact C-N 3.27Å; W445-R447 PolarHBondContact O-N 3.12Å; R447-I449 VanDerWaalsContact C-N 3.28Å; R447-I449 PolarHBondContact O-N 3.48Å
448	S	92.7	Very high	89.7	Confident	9 Å²	9	47.3 Å²	47.3	6%	0.063	26%	0.258	C	S	.	.	H	α-helix	trans	-77.9	-12	-177.5	78.4	0	0	0	0	113.5	G419 T420 T423 S444 W445 A450 D451 A452	G419-S448 WeakPolarHBondContact CA-OG 3.41Å; T420-S448 PolarHBondContact N-OG 3.38Å; T423-S448 PolarHBondContact OG1-OG 3.21Å; S444-S448 PolarHBondContact O-N 3.07Å; W445-S448 PolarHBondContact O-N 3.09Å; W445-S448 PolarHBondContact O-OG 2.79Å; S448-A450 PolarHBondContact O-N 3.48Å; S448-D451 PolarHBondContact O-N 3.09Å; S448-D451 VanDerWaalsContact O-N 3.13Å; S448-A452 PolarHBondContact O-N 3.46Å
449	I	91.8	Very high	90.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-32.9	177.2	-62.5	168.9	0	0	0	111.4	V285 L287 G337 W445 R447 D451 A452 P453	V285-I449 HydrophobicContact CB-CD1 3.81Å; V285-I449 HydrophobicContact CG1-CD1 4.02Å; V285-I449 HydrophobicContact CG2-CD1 4.31Å; L287-I449 HydrophobicContact CD1-CB 3.89Å; L287-I449 HydrophobicContact CD1-CG2 3.47Å; L287-I449 VanDerWaalsContact CD1-CG2 3.47Å; L287-I449 HydrophobicContact CG-CG2 3.97Å; G337-I449 VanDerWaalsContact CA-CG2 3.49Å; G337-I449 WeakPolarHBondContact O-CG2 3.37Å; W445-I449 HydrophobicContact CD2-CD1 4.29Å; W445-I449 HydrophobicContact CE3-CD1 4.2Å; W445-I449 HydrophobicContact CH2-CD1 3.74Å; W445-I449 HydrophobicContact CZ2-CD1 3.83Å; W445-I449 HydrophobicContact CZ2-CG1 4.28Å; W445-I449 HydrophobicContact CZ3-CD1 3.92Å; W445-I449 WeakPolarHBondContact O-CG1 3.35Å; W445-I449 PolarHBondContact O-N 2.64Å; R447-I449 VanDerWaalsContact C-N 3.28Å; R447-I449 PolarHBondContact O-N 3.48Å; I449-D451 PolarHBondContact O-N 3.37Å; I449-A452 CarbonylContact O-C 3.54Å; I449-A452 VanDerWaalsContact O-C 3.23Å; I449-A452 PolarHBondContact O-N 3.36Å; I449-P453 VanDerWaalsContact O-CA 3.31Å; I449-P453 WeakPolarHBondContact O-CA 3.38Å
450	A	89.3	Confident	91	Very high	34 Å²	34	46.5 Å²	46.5	28%	0.281	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-32.8	179.5	0	0	0	0	0	112.5	Q149 L287 S448	Q149-A450 PolarHBondContact NE2-O 2.87Å; L287-A450 HydrophobicContact CD1-CB 4.16Å; S448-A450 PolarHBondContact O-N 3.48Å
451	D	89.9	Confident	91.5	Very high	112 Å²	112	45.7 Å²	45.7	60%	0.599	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-13.7	-178.7	-51.4	-44.8	0	0	0	112.8	E148 T420 S448 I449	E148-D451 WeakPolarHBondContact CG-O 3.37Å; T420-D451 HydrophobicContact CG2-CB 4.26Å; S448-D451 PolarHBondContact O-N 3.09Å; S448-D451 VanDerWaalsContact O-N 3.13Å; I449-D451 PolarHBondContact O-N 3.37Å
452	A	92	Very high	91.8	Very high	32 Å²	32	46 Å²	46	26%	0.264	25%	0.248	S	C	.	.	S	Bend	trans	-149.3	69.4	178.3	0	0	0	0	0	110.3	G418 G419 T420 S448 I449	G418-A452 CarbonylContact C-O 3.59Å; G418-A452 VanDerWaalsContact CA-O 3.28Å; G418-A452 WeakPolarHBondContact CA-O 3.31Å; G419-A452 PolarHBondContact N-O 3.15Å; G419-A452 WeakPolarHBondContact O-CB 3.48Å; T420-A452 HydrophobicContact CG2-CB 4.35Å; S448-A452 PolarHBondContact O-N 3.46Å; I449-A452 CarbonylContact O-C 3.54Å; I449-A452 VanDerWaalsContact O-C 3.23Å; I449-A452 PolarHBondContact O-N 3.36Å
453	P	92.3	Very high	92.2	Very high	10 Å²	10	45.1 Å²	45.1	7%	0.065	25%	0.245	C	C	.	.			trans	-73	144	-178	30.4	-34.2	0	0	0	110.8	E148 Q149 I449	E148-P453 HydrophobicContact CB-CG 3.89Å; Q149-P453 HydrophobicContact CG-CB 4.23Å; Q149-P453 HydrophobicContact CG-CG 4.11Å; I449-P453 VanDerWaalsContact O-CA 3.31Å; I449-P453 WeakPolarHBondContact O-CA 3.38Å
454	A	91.8	Very high	92.5	Very high	18 Å²	18	43 Å²	43	15%	0.149	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	154	170.3	0	0	0	0	0	111.9	S336 G337 K417 G418 L456	S336-A454 WeakPolarHBondContact CA-O 3.17Å; G337-A454 PolarHBondContact N-O 3.49Å; G337-A454 WeakPolarHBondContact O-CA 3.22Å; G337-A454 PolarHBondContact O-N 3.47Å; K417-A454 HydrophobicContact CB-CB 3.91Å; G418-A454 VanDerWaalsContact N-CB 3.3Å; A454-L456 PolarHBondContact O-N 3.4Å
455	L	92	Very high	92.7	Very high	17 Å²	17	44.8 Å²	44.8	9%	0.089	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	114.8	170.4	179.3	62.4	0	0	0	110.2	Y155 V157 P164 T331 Q457	Y155-L455 HydrophobicContact CD2-CB 4.37Å; V157-L455 HydrophobicContact CG1-CD2 3.87Å; P164-L455 HydrophobicContact CB-CD2 4.48Å; T331-L455 HydrophobicContact CG2-CD1 4.05Å; L455-Q457 VanDerWaalsContact CD1-O 3.28Å; L455-Q457 WeakPolarHBondContact CD1-O 3.32Å
456	L	90.8	Very high	92.9	Very high	26 Å²	26	45.1 Å²	45.1	14%	0.136	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-33	-179.1	-57.5	-179.9	0	0	0	113.1	K284 Q286 K335 E339 A454	K284-L456 HydrophobicContact CD-CD1 4.35Å; K284-L456 HydrophobicContact CG-CD1 3.95Å; Q286-L456 HydrophobicContact CB-CD1 4.3Å; K335-L456 HydrophobicContact CB-CB 4.38Å; K335-L456 WeakPolarHBondContact O-CB 3.41Å; K335-L456 PolarHBondContact O-N 2.91Å; E339-L456 HydrophobicContact CB-CD2 3.8Å; A454-L456 PolarHBondContact O-N 3.4Å
457	Q	91.8	Very high	93	Very high	91 Å²	91	44.2 Å²	44.2	43%	0.425	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	137.8	178.8	-176.5	178.3	-0.9	0	0	108.6	G334 K335 L455	G334-Q457 WeakPolarHBondContact CA-O 3.14Å; K335-Q457 HydrophobicContact CB-CB 4.07Å; K335-Q457 HydrophobicContact CD-CB 4.13Å; K335-Q457 HydrophobicContact CG-CB 4.07Å; K335-Q457 PolarHBondContact N-O 2.63Å; K335-Q457 PolarHBondContact O-N 3.11Å; L455-Q457 VanDerWaalsContact CD1-O 3.28Å; L455-Q457 WeakPolarHBondContact CD1-O 3.32Å
458	S	92.3	Very high	93	Very high	29 Å²	29	37.5 Å²	37.5	20%	0.203	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.2	179.2	180	0	0	0	0	110.7	T331 P460	T331-S458 WeakPolarHBondContact CB-OG 3.3Å; T331-S458 VanDerWaalsContact CG2-OG 3.26Å; T331-S458 WeakPolarHBondContact CG2-OG 3.37Å; T331-S458 PolarHBondContact OG1-OG 2.8Å; S458-P460 WeakPolarHBondContact O-CD 3.36Å
459	E	94.9	Very high	92.8	Very high	95 Å²	95	43.5 Å²	43.5	44%	0.444	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	100.1	158.2	-64.9	-175.8	-178.1	0	0	108.2	R332 S333	R332-E459 PolarHBondContact N-O 2.79Å; R332-E459 IonicContact NH2-OE2 3.81Å; R332-E459 PolarHBondContact NH2-OE2 2.69Å; S333-E459 PolarHBondContact N-O 3.22Å; S333-E459 WeakPolarHBondContact O-CB 3.38Å; S333-E459 PolarHBondContact O-N 2.92Å
460	P	94.6	Very high	92.4	Very high	48 Å²	48	50.4 Å²	50.4	31%	0.312	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	146.5	-171.2	30.1	-35.1	0	0	0	113.4	V157 F230 H329 Y330 S458	V157-P460 HydrophobicContact CG2-CB 3.88Å; F230-P460 HydrophobicContact CE1-CG 4.25Å; H329-P460 HydrophobicContact CB-CB 3.61Å; Y330-P460 CarbonylContact O-C 3.51Å; Y330-P460 VanDerWaalsContact O-CA 3.3Å; Y330-P460 WeakPolarHBondContact O-CA 3.38Å; S458-P460 WeakPolarHBondContact O-CD 3.36Å
461	E	95.4	Very high	92.1	Very high	49 Å²	49	49.6 Å²	49.6	23%	0.229	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	150.6	161.8	-85.5	-168.7	-173.1	0	0	110.9	H329 Y330 R332 I463 M465	H329-E461 CarbonylContact C-O 3.27Å; H329-E461 WeakPolarHBondContact CA-O 3.3Å; H329-E461 WeakPolarHBondContact CB-O 3.41Å; H329-E461 VanDerWaalsContact CD2-C 3.4Å; Y330-E461 HydrophobicContact CD1-CB 4.24Å; Y330-E461 VanDerWaalsContact CD1-O 3.23Å; Y330-E461 WeakPolarHBondContact CD1-O 3.45Å; Y330-E461 HydrophobicContact CE1-CB 3.51Å; Y330-E461 HydrophobicContact CE2-CB 4.5Å; Y330-E461 PolarHBondContact N-O 3.49Å; Y330-E461 PolarHBondContact O-N 3.37Å; Y330-E461 PolarHBondContact OH-OE2 2.77Å; R332-E461 HydrophobicContact CB-CB 4.36Å; R332-E461 HydrophobicContact CB-CG 4.2Å; R332-E461 VanDerWaalsContact CD-CD 3.42Å; R332-E461 WeakPolarHBondContact CD-OE1 3.34Å; R332-E461 IonicContact CZ-OE1 3.91Å; R332-E461 IonicContact NE-OE1 3.15Å; R332-E461 IonicContact NH1-OE1 2.65Å; E461-I463 PolarHBondContact O-N 3.04Å; E461-M465 HydrophobicContact CB-SD 4.41Å
462	P	96.1	Very high	91.7	Very high	25 Å²	25	47.4 Å²	47.4	16%	0.162	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	135.8	-173.7	-24.2	33.3	0	0	0	113.6	Y464 M465	P462-Y464 HydrophobicContact CB-CD1 3.66Å; P462-Y464 HydrophobicContact CB-CE1 3.23Å; P462-Y464 HydrophobicContact CB-CE2 4.17Å; P462-Y464 HydrophobicContact CB-CG 4.3Å; P462-Y464 HydrophobicContact CG-CE1 4.02Å; P462-Y464 PolarHBondContact O-N 2.82Å; P462-M465 HydrophobicContact CB-CG 4.46Å; P462-M465 HydrophobicContact CG-CE 4.2Å; P462-M465 WeakPolarHBondContact O-CB 3.41Å; P462-M465 PolarHBondContact O-N 3.38Å; P462-M465 VanDerWaalsContact O-N 3.11Å
463	I	96.2	Very high	91.5	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-63.8	-29	-173.7	-163.8	67.6	0	0	0	112.9	P168 F303 F322 L323 T328 E461 M465 L466	P168-I463 HydrophobicContact CB-CD1 4.18Å; P168-I463 HydrophobicContact CG-CD1 3.93Å; F303-I463 HydrophobicContact CE2-CD1 4.18Å; F303-I463 HydrophobicContact CE2-CG1 4.01Å; F303-I463 HydrophobicContact CZ-CG1 4.32Å; F322-I463 HydrophobicContact CE1-CG1 4.35Å; F322-I463 HydrophobicContact CE1-CG2 4.47Å; L323-I463 HydrophobicContact CD2-CG2 4.36Å; T328-I463 WeakPolarHBondContact O-CB 3.42Å; T328-I463 WeakPolarHBondContact O-CG2 3.41Å; T328-I463 PolarHBondContact O-N 3.04Å; E461-I463 PolarHBondContact O-N 3.04Å; I463-M465 PolarHBondContact O-N 2.72Å; I463-M465 VanDerWaalsContact O-N 3.13Å; I463-L466 HydrophobicContact CD1-CD1 3.75Å; I463-L466 WeakPolarHBondContact O-CB 3.36Å; I463-L466 PolarHBondContact O-N 3.2Å; I463-L466 VanDerWaalsContact O-N 3.09Å
464	Y	95.3	Very high	91.4	Very high	37 Å²	37	49.3 Å²	49.3	15%	0.145	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-65.1	-15.9	179	64	-107.4	0	0	0	113.5	P462 L466 I467 I478 R482	P462-Y464 HydrophobicContact CB-CD1 3.66Å; P462-Y464 HydrophobicContact CB-CE1 3.23Å; P462-Y464 HydrophobicContact CB-CE2 4.17Å; P462-Y464 HydrophobicContact CB-CG 4.3Å; P462-Y464 HydrophobicContact CG-CE1 4.02Å; P462-Y464 PolarHBondContact O-N 2.82Å; Y464-L466 PolarHBondContact O-N 3.28Å; Y464-I467 WeakPolarHBondContact O-CB 3.12Å; Y464-I467 WeakPolarHBondContact O-CG1 3.44Å; Y464-I467 PolarHBondContact O-N 2.91Å; Y464-I478 HydrophobicContact CD2-CG2 3.87Å; Y464-I478 HydrophobicContact CE2-CG2 4.43Å; Y464-I478 HydrophobicContact CG-CG2 4.45Å; Y464-R482 HydrophobicContact CE1-CB 4.47Å
465	M	95.1	Very high	91.4	Very high	102 Å²	102	53.8 Å²	53.8	50%	0.502	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-68.3	-17.3	174.8	-66.9	-174.5	169.3	0	0	112.6	Y330 E461 P462 I463 I467	Y330-M465 HydrophobicContact CE1-CB 4.47Å; E461-M465 HydrophobicContact CB-SD 4.41Å; P462-M465 HydrophobicContact CB-CG 4.46Å; P462-M465 HydrophobicContact CG-CE 4.2Å; P462-M465 WeakPolarHBondContact O-CB 3.41Å; P462-M465 PolarHBondContact O-N 3.38Å; P462-M465 VanDerWaalsContact O-N 3.11Å; I463-M465 PolarHBondContact O-N 2.72Å; I463-M465 VanDerWaalsContact O-N 3.13Å; M465-I467 VanDerWaalsContact C-N 3.28Å
466	L	95.6	Very high	91.5	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.037	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-83.3	-3.1	177.4	-57.1	-174.1	0	0	0	113.2	P168 F169 V297 V299 F303 Y330 I463 Y464 P468	P168-L466 HydrophobicContact CB-CD1 3.6Å; P168-L466 HydrophobicContact CG-CD1 3.35Å; F169-L466 HydrophobicContact CE1-CD1 4.25Å; F169-L466 HydrophobicContact CE1-CD2 3.69Å; F169-L466 HydrophobicContact CE2-CD1 4.11Å; F169-L466 HydrophobicContact CZ-CD1 3.8Å; F169-L466 HydrophobicContact CZ-CD2 3.54Å; F169-L466 HydrophobicContact CZ-CG 4.35Å; V297-L466 HydrophobicContact CG2-CD2 4.15Å; V299-L466 HydrophobicContact CG1-CB 4.01Å; F303-L466 HydrophobicContact CE1-CB 3.94Å; F303-L466 HydrophobicContact CZ-CB 3.89Å; F303-L466 HydrophobicContact CZ-CD1 4.46Å; Y330-L466 HydrophobicContact CD1-CD1 3.97Å; Y330-L466 HydrophobicContact CD1-CD2 4.05Å; Y330-L466 HydrophobicContact CD1-CG 3.9Å; Y330-L466 HydrophobicContact CE1-CD2 3.86Å; Y330-L466 HydrophobicContact CE1-CG 4.11Å; Y330-L466 HydrophobicContact CE2-CD2 4.37Å; Y330-L466 HydrophobicContact CG-CD1 4.01Å; Y330-L466 HydrophobicContact CG-CD2 4.41Å; Y330-L466 HydrophobicContact CG-CG 4.39Å; I463-L466 HydrophobicContact CD1-CD1 3.75Å; I463-L466 WeakPolarHBondContact O-CB 3.36Å; I463-L466 PolarHBondContact O-N 3.2Å; I463-L466 VanDerWaalsContact O-N 3.09Å; Y464-L466 PolarHBondContact O-N 3.28Å; L466-P468 VanDerWaalsContact O-CD 3.31Å; L466-P468 WeakPolarHBondContact O-CD 3.42Å
467	I	93.9	Very high	91.6	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	30%	0.299	C	S	.	.	S	Bend	trans	-78.5	118.6	178.3	-59.4	172.5	0	0	0	108.5	V307 Y464 M465 L469 A474 I478 F481	V307-I467 HydrophobicContact CG1-CD1 4.32Å; V307-I467 HydrophobicContact CG1-CG1 4.21Å; V307-I467 HydrophobicContact CG1-CG2 4.35Å; V307-I467 HydrophobicContact CG2-CG1 4.48Å; Y464-I467 WeakPolarHBondContact O-CB 3.12Å; Y464-I467 WeakPolarHBondContact O-CG1 3.44Å; Y464-I467 PolarHBondContact O-N 2.91Å; M465-I467 VanDerWaalsContact C-N 3.28Å; I467-L469 PolarHBondContact O-N 3.04Å; I467-A474 HydrophobicContact CG2-CB 4.38Å; I467-I478 HydrophobicContact CB-CG1 4.15Å; I467-I478 HydrophobicContact CD1-CG1 3.98Å; I467-I478 HydrophobicContact CG2-CG1 4.33Å; I467-F481 HydrophobicContact CD1-CD2 3.33Å; I467-F481 HydrophobicContact CD1-CE2 3.46Å; I467-F481 VanDerWaalsContact CD1-CE2 3.46Å; I467-F481 HydrophobicContact CD1-CG 4.41Å
468	P	89.8	Confident	91.8	Very high	40 Å²	40	52.5 Å²	52.5	26%	0.26	29%	0.285	S	S	.	.			trans	-62	130.9	179.1	-22.8	34.8	0	0	0	111.5	L304 L466 D470 S471 A474	L304-P468 HydrophobicContact CD2-CG 3.82Å; L466-P468 VanDerWaalsContact O-CD 3.31Å; L466-P468 WeakPolarHBondContact O-CD 3.42Å; P468-D470 VanDerWaalsContact C-N 3.27Å; P468-D470 WeakPolarHBondContact CB-OD1 3.49Å; P468-D470 PolarHBondContact O-N 2.84Å; P468-S471 VanDerWaalsContact O-CB 3.32Å; P468-S471 WeakPolarHBondContact O-CB 3.35Å; P468-S471 PolarHBondContact O-N 3.01Å; P468-S471 VanDerWaalsContact O-N 3.14Å; P468-S471 PolarHBondContact O-OG 3.43Å; P468-A474 WeakPolarHBondContact O-CB 3.32Å
469	L	88.9	Confident	91.9	Very high	134 Å²	134	55.7 Å²	55.7	70%	0.702	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-22.5	-174.9	-65.4	178.6	0	0	0	113.6	I467 S471 I478	I467-L469 PolarHBondContact O-N 3.04Å; L469-S471 VanDerWaalsContact C-N 3.27Å; L469-I478 HydrophobicContact CD2-CD1 3.78Å
470	D	82.8	Confident	92	Very high	145 Å²	145	52.1 Å²	52.1	78%	0.775	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-11.4	173.5	62.7	-32.9	0	0	0	112.8	P468	P468-D470 VanDerWaalsContact C-N 3.27Å; P468-D470 WeakPolarHBondContact CB-OD1 3.49Å; P468-D470 PolarHBondContact O-N 2.84Å
471	S	82.2	Confident	92.1	Very high	17 Å²	17	49.9 Å²	49.9	12%	0.119	27%	0.269	C	S	.	.	S	Bend	trans	-71	146.1	178.3	71.2	0	0	0	0	112.5	P468 L469 D473 A474	P468-S471 VanDerWaalsContact O-CB 3.32Å; P468-S471 WeakPolarHBondContact O-CB 3.35Å; P468-S471 PolarHBondContact O-N 3.01Å; P468-S471 VanDerWaalsContact O-N 3.14Å; P468-S471 PolarHBondContact O-OG 3.43Å; L469-S471 VanDerWaalsContact C-N 3.27Å; S471-D473 PolarHBondContact O-N 2.9Å; S471-A474 VanDerWaalsContact O-CB 3.31Å; S471-A474 WeakPolarHBondContact O-CB 3.44Å; S471-A474 PolarHBondContact O-N 2.95Å
472	P	82.1	Confident	92.1	Very high	66 Å²	66	53.2 Å²	53.2	43%	0.429	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	130.4	177.4	-25.8	33.9	0	0	0	112.3	P92 A474	P92-P472 HydrophobicContact CG-CB 4.17Å; P92-P472 HydrophobicContact CG-CG 4.24Å; P472-A474 PolarHBondContact O-N 3.44Å
473	D	87.3	Confident	92	Very high	79 Å²	79	58.3 Å²	58.3	42%	0.422	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	23.4	179.6	-51.1	-67.6	0	0	0	114.9	L312 S471 N475 T476 R477	L312-D473 HydrophobicContact CD1-CB 4.11Å; L312-D473 WeakPolarHBondContact CD1-OD2 3.46Å; L312-D473 HydrophobicContact CD2-CB 3.4Å; L312-D473 VanDerWaalsContact CD2-CB 3.4Å; L312-D473 HydrophobicContact CG-CB 4.41Å; S471-D473 PolarHBondContact O-N 2.9Å; D473-N475 VanDerWaalsContact C-N 3.31Å; D473-N475 PolarHBondContact O-N 3.49Å; D473-T476 WeakPolarHBondContact O-CB 3.49Å; D473-T476 PolarHBondContact O-N 2.79Å; D473-R477 PolarHBondContact O-N 3.13Å
474	A	90.1	Very high	92	Very high	3 Å²	3	58.3 Å²	58.3	3%	0.025	30%	0.295	C	S	.	.	H	α-helix	trans	-47.6	-50.4	180	0	0	0	0	0	112.7	I467 P468 S471 P472 T476 R477 I478	I467-A474 HydrophobicContact CG2-CB 4.38Å; P468-A474 WeakPolarHBondContact O-CB 3.32Å; S471-A474 VanDerWaalsContact O-CB 3.31Å; S471-A474 WeakPolarHBondContact O-CB 3.44Å; S471-A474 PolarHBondContact O-N 2.95Å; P472-A474 PolarHBondContact O-N 3.44Å; A474-T476 VanDerWaalsContact C-N 3.33Å; A474-T476 PolarHBondContact O-N 2.84Å; A474-R477 PolarHBondContact O-N 3.44Å; A474-I478 WeakPolarHBondContact O-CB 3.31Å; A474-I478 VanDerWaalsContact O-CG1 3.24Å; A474-I478 WeakPolarHBondContact O-CG1 3.39Å; A474-I478 PolarHBondContact O-N 2.95Å
475	N	93.1	Very high	92	Very high	112 Å²	112	57.3 Å²	57.3	60%	0.599	29%	0.293	S	S	*	.	H	α-helix	trans	-59.6	-40.9	-178.9	-70	-43.5	0	0	0	112.7	D473 I478 N479	D473-N475 VanDerWaalsContact C-N 3.31Å; D473-N475 PolarHBondContact O-N 3.49Å; N475-I478 PolarHBondContact O-N 2.93Å; N475-N479 WeakPolarHBondContact O-CB 3.46Å; N475-N479 VanDerWaalsContact O-CG 3.29Å; N475-N479 PolarHBondContact O-N 2.96Å; N475-N479 PolarHBondContact O-ND2 2.87Å
476	T	93.1	Very high	91.9	Very high	59 Å²	59	57.1 Å²	57.1	36%	0.362	29%	0.291	S	S	.	.	H	α-helix	trans	-64.9	-45.8	177.2	-56	0	0	0	0	110.6	L312 D473 A474 N479 N480	L312-T476 HydrophobicContact CB-CG2 4.47Å; D473-T476 WeakPolarHBondContact O-CB 3.49Å; D473-T476 PolarHBondContact O-N 2.79Å; A474-T476 VanDerWaalsContact C-N 3.33Å; A474-T476 PolarHBondContact O-N 2.84Å; T476-N479 PolarHBondContact O-N 3.32Å; T476-N480 WeakPolarHBondContact O-CB 3.48Å; T476-N480 PolarHBondContact O-N 2.73Å
477	R	93.4	Very high	91.8	Very high	24 Å²	24	59.2 Å²	59.2	9%	0.091	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-43.7	177.6	-66	178	-171.8	-80.2	-8.9	111.6	V307 R308 L310 L312 D473 A474 N479 N480 F481	V307-R477 PolarHBondContact O-NH1 3.29Å; R308-R477 PolarHBondContact O-NH1 2.7Å; R308-R477 PolarHBondContact O-NH2 3.28Å; L310-R477 PolarHBondContact O-NH1 2.75Å; L310-R477 PolarHBondContact O-NH2 2.82Å; L312-R477 HydrophobicContact CD2-CG 4.21Å; D473-R477 PolarHBondContact O-N 3.13Å; A474-R477 PolarHBondContact O-N 3.44Å; R477-N479 VanDerWaalsContact C-N 3.34Å; R477-N479 PolarHBondContact O-N 2.74Å; R477-N480 CarbonylContact O-C 3.59Å; R477-N480 PolarHBondContact O-N 3.33Å; R477-F481 WeakPolarHBondContact O-CD2 3.1Å; R477-F481 PolarHBondContact O-N 2.97Å
478	I	95.6	Very high	91.8	Very high	24 Å²	24	58.9 Å²	58.9	12%	0.123	30%	0.301	C	S	.	.	H	α-helix	trans	-57.8	-47.2	176.2	-71.5	164.7	0	0	0	110.6	Y464 I467 L469 A474 N475 N480 F481 R482	Y464-I478 HydrophobicContact CD2-CG2 3.87Å; Y464-I478 HydrophobicContact CE2-CG2 4.43Å; Y464-I478 HydrophobicContact CG-CG2 4.45Å; I467-I478 HydrophobicContact CB-CG1 4.15Å; I467-I478 HydrophobicContact CD1-CG1 3.98Å; I467-I478 HydrophobicContact CG2-CG1 4.33Å; L469-I478 HydrophobicContact CD2-CD1 3.78Å; A474-I478 WeakPolarHBondContact O-CB 3.31Å; A474-I478 VanDerWaalsContact O-CG1 3.24Å; A474-I478 WeakPolarHBondContact O-CG1 3.39Å; A474-I478 PolarHBondContact O-N 2.95Å; N475-I478 PolarHBondContact O-N 2.93Å; I478-N480 VanDerWaalsContact C-N 3.35Å; I478-N480 PolarHBondContact O-N 3.5Å; I478-F481 PolarHBondContact O-N 3.33Å; I478-R482 PolarHBondContact O-N 3.48Å
479	N	95.1	Very high	91.9	Very high	96 Å²	96	58.6 Å²	58.6	51%	0.513	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-42	176.8	-73.2	-29.1	0	0	0	112	N475 T476 R477 F481 R482 R483	N475-N479 WeakPolarHBondContact O-CB 3.46Å; N475-N479 VanDerWaalsContact O-CG 3.29Å; N475-N479 PolarHBondContact O-N 2.96Å; N475-N479 PolarHBondContact O-ND2 2.87Å; T476-N479 PolarHBondContact O-N 3.32Å; R477-N479 VanDerWaalsContact C-N 3.34Å; R477-N479 PolarHBondContact O-N 2.74Å; N479-F481 PolarHBondContact O-N 3.13Å; N479-R482 PolarHBondContact O-N 2.86Å; N479-R483 PolarHBondContact O-N 2.79Å
480	N	95.9	Very high	92.1	Very high	20 Å²	20	54.7 Å²	54.7	11%	0.107	28%	0.284	C	S	.	.	H	α-helix	trans	-64.5	-37.9	175.9	-75.1	-15.9	0	0	0	112.4	L312 Y314 Y319 T476 R477 I478 R483 A484	L312-N480 PolarHBondContact O-ND2 3.44Å; Y314-N480 HydrophobicContact CD2-CB 4.05Å; Y319-N480 HydrophobicContact CD1-CB 4.33Å; Y319-N480 HydrophobicContact CE1-CB 3.45Å; Y319-N480 VanDerWaalsContact CE1-CB 3.45Å; Y319-N480 HydrophobicContact CE2-CB 4.38Å; Y319-N480 VanDerWaalsContact CZ-CB 3.49Å; Y319-N480 WeakPolarHBondContact OH-CB 3.18Å; Y319-N480 PolarHBondContact OH-ND2 2.87Å; T476-N480 WeakPolarHBondContact O-CB 3.48Å; T476-N480 PolarHBondContact O-N 2.73Å; R477-N480 CarbonylContact O-C 3.59Å; R477-N480 PolarHBondContact O-N 3.33Å; I478-N480 VanDerWaalsContact C-N 3.35Å; I478-N480 PolarHBondContact O-N 3.5Å; N480-R483 PolarHBondContact O-N 2.96Å; N480-A484 VanDerWaalsContact O-CB 3.25Å; N480-A484 WeakPolarHBondContact O-CB 3.44Å; N480-A484 PolarHBondContact O-N 3.3Å
481	F	96.8	Very high	92.6	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	25%	0.25	C	S	.	.	H	α-helix	trans	-68.3	-38.3	174.9	-86.3	-65.7	0	0	0	113	V307 L310 Y319 F322 L323 I467 R477 I478 N479 R483 A484 T485	V307-F481 HydrophobicContact CG1-CE2 4.38Å; V307-F481 HydrophobicContact CG2-CE2 4.42Å; V307-F481 HydrophobicContact CG2-CZ 4.4Å; L310-F481 HydrophobicContact CD1-CE1 3.87Å; L310-F481 HydrophobicContact CD1-CE2 3.7Å; L310-F481 HydrophobicContact CD1-CZ 3.17Å; Y319-F481 AromaticContact CD1-CD1 3.93Å; Y319-F481 HydrophobicContact CD1-CD1 3.93Å; Y319-F481 HydrophobicContact CD1-CE1 4Å; Y319-F481 HydrophobicContact CD1-CG 4.29Å; Y319-F481 HydrophobicContact CD1-CZ 4.47Å; Y319-F481 HydrophobicContact CE1-CD1 4.32Å; Y319-F481 HydrophobicContact CE1-CD2 4.25Å; Y319-F481 HydrophobicContact CE1-CE1 4.39Å; Y319-F481 HydrophobicContact CE1-CE2 4.35Å; Y319-F481 HydrophobicContact CE1-CG 4.26Å; Y319-F481 HydrophobicContact CE1-CZ 4.45Å; F322-F481 HydrophobicContact CB-CE1 4.32Å; F322-F481 HydrophobicContact CD1-CD1 4.41Å; F322-F481 AromaticContact CD1-CE1 3.31Å; F322-F481 HydrophobicContact CD1-CE1 3.31Å; F322-F481 AromaticContact CD1-CZ 3.73Å; F322-F481 HydrophobicContact CD1-CZ 3.73Å; F322-F481 HydrophobicContact CD2-CE1 4.38Å; F322-F481 HydrophobicContact CD2-CZ 4.08Å; F322-F481 AromaticContact CE1-CE1 3.55Å; F322-F481 HydrophobicContact CE1-CE1 3.55Å; F322-F481 AromaticContact CE1-CZ 3.64Å; F322-F481 HydrophobicContact CE1-CZ 3.64Å; F322-F481 HydrophobicContact CE2-CZ 4.02Å; F322-F481 AromaticContact CG-CE1 3.76Å; F322-F481 HydrophobicContact CG-CE1 3.76Å; F322-F481 AromaticContact CG-CZ 3.93Å; F322-F481 HydrophobicContact CG-CZ 3.93Å; F322-F481 HydrophobicContact CZ-CE1 4.17Å; F322-F481 AromaticContact CZ-CZ 3.77Å; F322-F481 HydrophobicContact CZ-CZ 3.77Å; L323-F481 HydrophobicContact CD2-CD1 4.32Å; I467-F481 HydrophobicContact CD1-CD2 3.33Å; I467-F481 HydrophobicContact CD1-CE2 3.46Å; I467-F481 VanDerWaalsContact CD1-CE2 3.46Å; I467-F481 HydrophobicContact CD1-CG 4.41Å; R477-F481 WeakPolarHBondContact O-CD2 3.1Å; R477-F481 PolarHBondContact O-N 2.97Å; I478-F481 PolarHBondContact O-N 3.33Å; N479-F481 PolarHBondContact O-N 3.13Å; F481-R483 VanDerWaalsContact C-N 3.34Å; F481-A484 PolarHBondContact O-N 2.85Å; F481-T485 WeakPolarHBondContact O-CB 3.4Å; F481-T485 PolarHBondContact O-N 2.93Å; F481-T485 PolarHBondContact O-OG1 3.17Å
482	R	95.5	Very high	93.2	Very high	120 Å²	120	48 Å²	48	45%	0.453	25%	0.245	S	C	.	.	H	α-helix	trans	-60.6	-48.3	174	-167.3	-179.6	-81.6	172.3	-7.3	109.9	Y464 I478 N479 T485 E486	Y464-R482 HydrophobicContact CE1-CB 4.47Å; I478-R482 PolarHBondContact O-N 3.48Å; N479-R482 PolarHBondContact O-N 2.86Å; R482-T485 PolarHBondContact O-N 3.12Å; R482-E486 PolarHBondContact O-N 3.1Å; R482-E486 VanDerWaalsContact O-N 3.16Å
483	R	94.3	Very high	93.7	Very high	132 Å²	132	45.8 Å²	45.8	50%	0.498	23%	0.23	S	C	.	.	H	α-helix	trans	-59.8	-45.7	173	-178.5	-179.9	177.1	177.9	-0.8	112.6	Y314 N479 N480 F481 T485 E486 D487	Y314-R483 HydrophobicContact CE1-CG 4.17Å; Y314-R483 VanDerWaalsContact CE1-NE 3.32Å; Y314-R483 HydrophobicContact CE2-CG 4.31Å; N479-R483 PolarHBondContact O-N 2.79Å; N480-R483 PolarHBondContact O-N 2.96Å; F481-R483 VanDerWaalsContact C-N 3.34Å; R483-T485 VanDerWaalsContact C-N 3.27Å; R483-T485 PolarHBondContact O-N 3.38Å; R483-E486 PolarHBondContact O-N 3.29Å; R483-D487 IonicContact NE-OD2 2.63Å; R483-D487 WeakPolarHBondContact O-CB 3.3Å; R483-D487 PolarHBondContact O-N 2.89Å
484	A	96.2	Very high	94	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.8	-41.1	179.1	0	0	0	0	0	111.8	Y314 Y319 F320 L323 N480 F481 D487 Y488	Y314-A484 HydrophobicContact CE2-CB 3.97Å; Y314-A484 WeakPolarHBondContact OH-CA 3.42Å; Y319-A484 HydrophobicContact CD1-CB 4.04Å; Y319-A484 HydrophobicContact CG-CB 4.2Å; F320-A484 WeakPolarHBondContact CE1-O 3.31Å; L323-A484 HydrophobicContact CD1-CB 3.99Å; N480-A484 VanDerWaalsContact O-CB 3.25Å; N480-A484 WeakPolarHBondContact O-CB 3.44Å; N480-A484 PolarHBondContact O-N 3.3Å; F481-A484 PolarHBondContact O-N 2.85Å; A484-D487 PolarHBondContact O-N 3.41Å; A484-Y488 WeakPolarHBondContact O-CB 3.2Å; A484-Y488 PolarHBondContact O-N 2.97Å
485	T	95.2	Very high	94.2	Very high	17 Å²	17	43.4 Å²	43.4	10%	0.104	22%	0.218	C	C	.	.	H	α-helix	trans	-65.5	-44.4	178.8	-55.9	0	0	0	0	110.8	I159 T328 F481 R482 R483 Y488 I489	I159-T485 HydrophobicContact CD1-CG2 4.37Å; T328-T485 HydrophobicContact CG2-CG2 4.17Å; F481-T485 WeakPolarHBondContact O-CB 3.4Å; F481-T485 PolarHBondContact O-N 2.93Å; F481-T485 PolarHBondContact O-OG1 3.17Å; R482-T485 PolarHBondContact O-N 3.12Å; R483-T485 VanDerWaalsContact C-N 3.27Å; R483-T485 PolarHBondContact O-N 3.38Å; T485-Y488 PolarHBondContact O-N 3.11Å; T485-I489 HydrophobicContact CG2-CD1 4.35Å; T485-I489 VanDerWaalsContact O-CG1 3.29Å; T485-I489 WeakPolarHBondContact O-CG1 3.36Å; T485-I489 PolarHBondContact O-N 3.41Å; T485-I489 VanDerWaalsContact O-N 3.09Å
486	E	92.1	Very high	94.2	Very high	98 Å²	98	39.9 Å²	39.9	46%	0.458	20%	0.197	S	C	.	.	H	α-helix	trans	-62.6	-47.2	175.3	-69.6	175	-167.7	0	0	111.8	R482 R483 Y488 I489 A490	R482-E486 PolarHBondContact O-N 3.1Å; R482-E486 VanDerWaalsContact O-N 3.16Å; R483-E486 PolarHBondContact O-N 3.29Å; E486-Y488 VanDerWaalsContact C-N 3.3Å; E486-Y488 PolarHBondContact O-N 3.49Å; E486-I489 PolarHBondContact O-N 2.94Å; E486-A490 WeakPolarHBondContact O-CB 3.25Å; E486-A490 PolarHBondContact O-N 3.18Å
487	D	93.8	Very high	94.3	Very high	50 Å²	50	37.1 Å²	37.1	27%	0.267	18%	0.18	S	C	.	.	H	α-helix	trans	-62.8	-37	177.3	-76.8	-11.5	0	0	0	111.2	Y314 F320 R483 A484 A490 E491	Y314-D487 VanDerWaalsContact CE1-OD2 3.32Å; Y314-D487 WeakPolarHBondContact CE1-OD2 3.31Å; Y314-D487 VanDerWaalsContact CZ-OD2 3.32Å; Y314-D487 WeakPolarHBondContact OH-CB 3.42Å; Y314-D487 PolarHBondContact OH-OD2 2.94Å; F320-D487 HydrophobicContact CE1-CB 4.07Å; F320-D487 HydrophobicContact CZ-CB 4.16Å; R483-D487 IonicContact NE-OD2 2.63Å; R483-D487 WeakPolarHBondContact O-CB 3.3Å; R483-D487 PolarHBondContact O-N 2.89Å; A484-D487 PolarHBondContact O-N 3.41Å; D487-A490 PolarHBondContact O-N 2.94Å; D487-E491 WeakPolarHBondContact O-CB 3.28Å; D487-E491 PolarHBondContact O-N 2.62Å
488	Y	94.5	Very high	94.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.3	-44.6	178.2	-171	-100.5	0	0	0	111.7	N158 L160 K239 F320 L323 E324 T328 A484 T485 E486 E491 Y492	N158-Y488 WeakPolarHBondContact ND2-CE1 3.29Å; N158-Y488 PolarHBondContact ND2-OH 3.01Å; L160-Y488 HydrophobicContact CD1-CD1 3.81Å; L160-Y488 HydrophobicContact CD1-CE1 3.52Å; L160-Y488 HydrophobicContact CG-CD1 4.36Å; L160-Y488 HydrophobicContact CG-CE1 4.04Å; K239-Y488 VanDerWaalsContact CG-OH 3.24Å; K239-Y488 WeakPolarHBondContact CG-OH 3.45Å; F320-Y488 HydrophobicContact CB-CD2 4.33Å; F320-Y488 AromaticContact CD1-CD2 3.89Å; F320-Y488 HydrophobicContact CD1-CD2 3.89Å; F320-Y488 AromaticContact CD2-CD2 3.66Å; F320-Y488 HydrophobicContact CD2-CD2 3.66Å; F320-Y488 HydrophobicContact CD2-CE2 4.2Å; F320-Y488 HydrophobicContact CE1-CD2 4.03Å; F320-Y488 HydrophobicContact CE1-CG 4.4Å; F320-Y488 AromaticContact CE2-CD2 3.77Å; F320-Y488 HydrophobicContact CE2-CD2 3.77Å; F320-Y488 AromaticContact CG-CD2 3.71Å; F320-Y488 HydrophobicContact CG-CD2 3.71Å; F320-Y488 HydrophobicContact CG-CE2 4.34Å; F320-Y488 AromaticContact CZ-CD2 3.97Å; F320-Y488 HydrophobicContact CZ-CD2 3.97Å; F320-Y488 HydrophobicContact CZ-CG 4.39Å; L323-Y488 HydrophobicContact CD1-CD2 4.42Å; L323-Y488 HydrophobicContact CD1-CG 4.2Å; E324-Y488 HydrophobicContact CG-CE2 4.21Å; T328-Y488 HydrophobicContact CG2-CD1 4.26Å; A484-Y488 WeakPolarHBondContact O-CB 3.2Å; A484-Y488 PolarHBondContact O-N 2.97Å; T485-Y488 PolarHBondContact O-N 3.11Å; E486-Y488 VanDerWaalsContact C-N 3.3Å; E486-Y488 PolarHBondContact O-N 3.49Å; Y488-E491 PolarHBondContact O-N 3.19Å; Y488-Y492 HydrophobicContact CD2-CD2 4.08Å; Y488-Y492 AromaticContact CD2-CE2 3.88Å; Y488-Y492 HydrophobicContact CD2-CE2 3.88Å; Y488-Y492 HydrophobicContact CE1-CD2 4.47Å; Y488-Y492 AromaticContact CE2-CD2 3.93Å; Y488-Y492 HydrophobicContact CE2-CD2 3.93Å; Y488-Y492 AromaticContact CE2-CE2 3.57Å; Y488-Y492 HydrophobicContact CE2-CE2 3.57Å; Y488-Y492 HydrophobicContact CG-CD2 4.42Å; Y488-Y492 WeakPolarHBondContact O-CD2 3.18Å; Y488-Y492 PolarHBondContact O-N 3.22Å
489	I	92.8	Very high	94.1	Very high	34 Å²	34	38.9 Å²	38.9	17%	0.174	19%	0.188	C	C	.	.	H	α-helix	trans	-63.1	-46.1	174.7	-63.7	163.5	0	0	0	110.6	I159 A234 T485 E486 E491 Y492 N493	I159-I489 HydrophobicContact CD1-CD1 3.35Å; I159-I489 HydrophobicContact CD1-CG1 3.39Å; I159-I489 HydrophobicContact CG1-CG1 4.4Å; A234-I489 HydrophobicContact CB-CG2 3.9Å; T485-I489 HydrophobicContact CG2-CD1 4.35Å; T485-I489 VanDerWaalsContact O-CG1 3.29Å; T485-I489 WeakPolarHBondContact O-CG1 3.36Å; T485-I489 PolarHBondContact O-N 3.41Å; T485-I489 VanDerWaalsContact O-N 3.09Å; E486-I489 PolarHBondContact O-N 2.94Å; I489-E491 VanDerWaalsContact C-N 3.29Å; I489-E491 PolarHBondContact O-N 3.23Å; I489-Y492 CarbonylContact O-C 3.56Å; I489-N493 WeakPolarHBondContact O-CB 3.32Å; I489-N493 PolarHBondContact O-N 2.94Å
490	A	92.1	Very high	93.9	Very high	52 Å²	52	34.5 Å²	34.5	43%	0.43	17%	0.165	S	C	.	.	H	α-helix	trans	-66.2	-33.9	180	0	0	0	0	0	112.1	E486 D487 N493	E486-A490 WeakPolarHBondContact O-CB 3.25Å; E486-A490 PolarHBondContact O-N 3.18Å; D487-A490 PolarHBondContact O-N 2.94Å; A490-N493 WeakPolarHBondContact O-CB 3.43Å
491	E	94.2	Very high	93.6	Very high	16 Å²	16	35.5 Å²	35.5	8%	0.075	17%	0.169	C	C	.	.	H	α-helix	trans	-67.6	-47.3	-178.7	-171.4	55.8	-149.5	0	0	111.9	G61 I62 F65 I77 K316 F320 D487 Y488 I489 N493 K496	G61-E491 WeakPolarHBondContact CA-OE1 3.32Å; I62-E491 WeakPolarHBondContact CA-OE1 3.15Å; I62-E491 VanDerWaalsContact CB-OE1 3.25Å; I62-E491 WeakPolarHBondContact CB-OE1 3.34Å; I62-E491 WeakPolarHBondContact CG1-OE1 3.35Å; I62-E491 PolarHBondContact N-OE1 3.45Å; F65-E491 WeakPolarHBondContact CZ-O 3.32Å; I77-E491 HydrophobicContact CD1-CG 3.89Å; I77-E491 HydrophobicContact CG1-CG 4.46Å; K316-E491 IonicContact NZ-OE1 3.44Å; K316-E491 IonicContact NZ-OE2 2.69Å; K316-E491 PolarHBondContact NZ-OE2 2.82Å; F320-E491 HydrophobicContact CE2-CB 3.87Å; F320-E491 HydrophobicContact CE2-CG 3.94Å; F320-E491 HydrophobicContact CZ-CB 4.03Å; D487-E491 WeakPolarHBondContact O-CB 3.28Å; D487-E491 PolarHBondContact O-N 2.62Å; Y488-E491 PolarHBondContact O-N 3.19Å; I489-E491 VanDerWaalsContact C-N 3.29Å; I489-E491 PolarHBondContact O-N 3.23Å; E491-N493 VanDerWaalsContact C-N 3.32Å; E491-N493 PolarHBondContact O-N 3.48Å; E491-K496 WeakPolarHBondContact O-CE 3.49Å; E491-K496 PolarHBondContact O-NZ 2.89Å; E491-K496 IonicContact OE1-NZ 2.92Å; E491-K496 PolarHBondContact OE1-NZ 2.98Å; E491-K496 IonicContact OE2-NZ 3.14Å; E491-K496 PolarHBondContact OE2-NZ 3.37Å; E491-K496 VanDerWaalsContact OE2-NZ 3.17Å
492	Y	93.9	Very high	93.2	Very high	5 Å²	5	36.5 Å²	36.5	2%	0.02	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	42.8	179.4	-61.1	-73.8	0	0	0	111.7	I62 F65 I77 L160 S237 K239 S243 F320 Y488 I489 L508	I62-Y492 HydrophobicContact CD1-CE1 4.07Å; F65-Y492 HydrophobicContact CE1-CD1 4.48Å; F65-Y492 HydrophobicContact CZ-CD1 4.38Å; I77-Y492 WeakPolarHBondContact CG1-OH 3.45Å; L160-Y492 HydrophobicContact CD1-CD2 4.24Å; L160-Y492 HydrophobicContact CD1-CG 4.29Å; S237-Y492 WeakPolarHBondContact CB-O 3.38Å; S237-Y492 PolarHBondContact OG-O 3.5Å; K239-Y492 HydrophobicContact CD-CD1 4.27Å; K239-Y492 HydrophobicContact CD-CE1 4.01Å; K239-Y492 HydrophobicContact CG-CD2 4.45Å; K239-Y492 HydrophobicContact CG-CE2 4.44Å; S243-Y492 PolarHBondContact OG-OH 3.29Å; F320-Y492 HydrophobicContact CD2-CE2 4.31Å; F320-Y492 HydrophobicContact CE2-CE2 4.14Å; Y488-Y492 HydrophobicContact CD2-CD2 4.08Å; Y488-Y492 AromaticContact CD2-CE2 3.88Å; Y488-Y492 HydrophobicContact CD2-CE2 3.88Å; Y488-Y492 HydrophobicContact CE1-CD2 4.47Å; Y488-Y492 AromaticContact CE2-CD2 3.93Å; Y488-Y492 HydrophobicContact CE2-CD2 3.93Å; Y488-Y492 AromaticContact CE2-CE2 3.57Å; Y488-Y492 HydrophobicContact CE2-CE2 3.57Å; Y488-Y492 HydrophobicContact CG-CD2 4.42Å; Y488-Y492 WeakPolarHBondContact O-CD2 3.18Å; Y488-Y492 PolarHBondContact O-N 3.22Å; I489-Y492 CarbonylContact O-C 3.56Å; Y492-L508 VanDerWaalsContact O-CD2 3.32Å; Y492-L508 WeakPolarHBondContact O-CD2 3.24Å
493	N	93.2	Very high	92.8	Very high	20 Å²	20	31.8 Å²	31.8	11%	0.107	16%	0.163	C	C	.	.			trans	-96.9	137	179.3	-164.1	-62.3	0	0	0	111.9	F65 D233 S237 I489 A490 E491 C495 K496	F65-N493 WeakPolarHBondContact CE2-O 3.39Å; D233-N493 PolarHBondContact O-ND2 3.25Å; S237-N493 WeakPolarHBondContact OG-CA 3.29Å; I489-N493 WeakPolarHBondContact O-CB 3.32Å; I489-N493 PolarHBondContact O-N 2.94Å; A490-N493 WeakPolarHBondContact O-CB 3.43Å; E491-N493 VanDerWaalsContact C-N 3.32Å; E491-N493 PolarHBondContact O-N 3.48Å; N493-C495 VanDerWaalsContact CB-SG 3.51Å; N493-C495 PolarHBondContact O-N 3.35Å; N493-C495 VanDerWaalsContact OD1-CB 3.24Å; N493-C495 WeakPolarHBondContact OD1-CB 3.41Å; N493-C495 PolarHBondContact OD1-N 2.7Å; N493-C495 PolarHBondContact OD1-SG 3.19Å; N493-K496 PolarHBondContact O-N 3.39Å
494	I	93.4	Very high	92.6	Very high	17 Å²	17	26.2 Å²	26.2	9%	0.087	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-58.8	-15.5	177.2	-160.9	173.2	0	0	0	114.1	S237 K496 C497 L506 L508 N548	S237-I494 PolarHBondContact OG-N 3.45Å; I494-K496 PolarHBondContact O-N 3.47Å; I494-K496 VanDerWaalsContact O-N 3.11Å; I494-C497 HydrophobicContact CG1-CB 4.43Å; I494-C497 WeakPolarHBondContact O-CB 2.95Å; I494-C497 PolarHBondContact O-N 3.45Å; I494-C497 PolarHBondContact O-SG 3.42Å; I494-L506 VanDerWaalsContact CD1-C 3.46Å; I494-L506 HydrophobicContact CD1-CB 3.86Å; I494-L506 HydrophobicContact CD1-CD2 4.12Å; I494-L506 HydrophobicContact CD1-CG 3.68Å; I494-L506 WeakPolarHBondContact CD1-O 3.24Å; I494-L506 HydrophobicContact CG1-CB 4.47Å; I494-L506 HydrophobicContact CG1-CD2 3.88Å; I494-L506 HydrophobicContact CG1-CG 3.77Å; I494-L508 HydrophobicContact CB-CB 4.41Å; I494-L508 HydrophobicContact CG1-CB 4.37Å; I494-N548 PolarHBondContact O-ND2 2.94Å; I494-N548 VanDerWaalsContact O-ND2 3.11Å
495	C	93.2	Very high	92.4	Very high	15 Å²	15	27.7 Å²	27.7	10%	0.101	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-60.4	-18.2	176	67	0	0	0	0	114.5	N493 C497 W549 C551	N493-C495 VanDerWaalsContact CB-SG 3.51Å; N493-C495 PolarHBondContact O-N 3.35Å; N493-C495 VanDerWaalsContact OD1-CB 3.24Å; N493-C495 WeakPolarHBondContact OD1-CB 3.41Å; N493-C495 PolarHBondContact OD1-N 2.7Å; N493-C495 PolarHBondContact OD1-SG 3.19Å; C495-C497 VanDerWaalsContact C-N 3.28Å; C495-W549 VanDerWaalsContact CA-O 3.29Å; C495-W549 WeakPolarHBondContact CA-O 3.38Å; C495-W549 WeakPolarHBondContact CB-O 3.31Å; C495-C551 HydrophobicContact CB-CB 3.93Å; C495-C551 WeakPolarHBondContact CB-SG 3.47Å; C495-C551 WeakPolarHBondContact SG-CA 3.48Å; C495-C551 WeakPolarHBondContact SG-CB 3.45Å; C495-C551 CovalentContact SG-SG 2.03Å; C495-C551 PolarHBondContact SG-SG 2.91Å
496	K	94.1	Very high	92.3	Very high	37 Å²	37	27.8 Å²	27.8	16%	0.161	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-84.7	-0.5	175	-57.3	178.1	179.6	-177.8	0	113.1	I62 F65 E491 N493 I494 C551	I62-K496 VanDerWaalsContact O-CD 3.27Å; I62-K496 WeakPolarHBondContact O-CD 3.3Å; I62-K496 WeakPolarHBondContact O-CE 3.4Å; I62-K496 PolarHBondContact O-NZ 3.09Å; F65-K496 HydrophobicContact CD2-CB 3.61Å; F65-K496 HydrophobicContact CD2-CD 4.39Å; F65-K496 HydrophobicContact CE2-CB 3.69Å; F65-K496 HydrophobicContact CE2-CD 3.72Å; F65-K496 HydrophobicContact CE2-CG 4.17Å; F65-K496 HydrophobicContact CZ-CD 4.21Å; E491-K496 WeakPolarHBondContact O-CE 3.49Å; E491-K496 PolarHBondContact O-NZ 2.89Å; E491-K496 IonicContact OE1-NZ 2.92Å; E491-K496 PolarHBondContact OE1-NZ 2.98Å; E491-K496 IonicContact OE2-NZ 3.14Å; E491-K496 PolarHBondContact OE2-NZ 3.37Å; E491-K496 VanDerWaalsContact OE2-NZ 3.17Å; N493-K496 PolarHBondContact O-N 3.39Å; I494-K496 PolarHBondContact O-N 3.47Å; I494-K496 VanDerWaalsContact O-N 3.11Å; K496-C551 WeakPolarHBondContact CG-SG 3.38Å
497	C	94.5	Very high	92.4	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.014	13%	0.134	C	C	.	.	S	Bend	trans	-92.7	154.9	175.8	-58.5	0	0	0	0	112.1	I494 C495 L506 C513 N548	I494-C497 HydrophobicContact CG1-CB 4.43Å; I494-C497 WeakPolarHBondContact O-CB 2.95Å; I494-C497 PolarHBondContact O-N 3.45Å; I494-C497 PolarHBondContact O-SG 3.42Å; C495-C497 VanDerWaalsContact C-N 3.28Å; C497-L506 HydrophobicContact CB-CD1 4.05Å; C497-L506 HydrophobicContact CB-CD2 3.7Å; C497-L506 HydrophobicContact CB-CG 4.15Å; C497-C513 VanDerWaalsContact CA-SG 3.58Å; C497-C513 HydrophobicContact CB-CB 3.71Å; C497-C513 WeakPolarHBondContact CB-SG 3.38Å; C497-C513 WeakPolarHBondContact SG-CB 3.43Å; C497-C513 CovalentContact SG-SG 2.01Å; C497-C513 PolarHBondContact SG-SG 3.34Å; C497-N548 PolarHBondContact O-ND2 3.13Å
498	K	92.6	Very high	92.4	Very high	79 Å²	79	20.8 Å²	20.8	34%	0.343	12%	0.121	S	C	.	.	P	Polyproline II helix	trans	-76.3	151.1	165.9	-63.8	-62.2	-167.4	-180	0	111	V35 Q67 F68 L506 D572	V35-K498 HydrophobicContact CG2-CG 4.32Å; Q67-K498 PolarHBondContact NE2-O 3.17Å; Q67-K498 PolarHBondContact OE1-O 2.85Å; F68-K498 HydrophobicContact CE2-CB 3.87Å; F68-K498 HydrophobicContact CE2-CG 4.47Å; F68-K498 HydrophobicContact CZ-CB 4.26Å; K498-L506 WeakPolarHBondContact O-CD1 3.45Å; K498-L506 WeakPolarHBondContact O-CD2 3.47Å; K498-D572 HydrophobicContact CD-CB 4.48Å; K498-D572 IonicContact NZ-OD2 2.63Å; K498-D572 PolarHBondContact NZ-OD2 3.23Å
499	P	92.3	Very high	92.3	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.032	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-69	157	178.4	30.3	-36	0	0	0	112.5	N548 D572 L574	P499-N548 HydrophobicContact CB-CB 4Å; P499-D572 VanDerWaalsContact CG-O 3.29Å; P499-D572 WeakPolarHBondContact CG-O 3.43Å; P499-L574 HydrophobicContact CB-CD1 3.81Å; P499-L574 HydrophobicContact CB-CG 4.27Å; P499-L574 HydrophobicContact CG-CD1 3.96Å; P499-L574 HydrophobicContact CG-CG 3.99Å
500	C	91.9	Very high	92.3	Very high	4 Å²	4	21 Å²	21	3%	0.027	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-91.8	151	172.5	-55	0	0	0	0	111	L506 C515 Q545	C500-L506 VanDerWaalsContact SG-CD1 3.51Å; C500-C515 VanDerWaalsContact CA-SG 3.54Å; C500-C515 HydrophobicContact CB-CB 3.76Å; C500-C515 WeakPolarHBondContact CB-SG 3.06Å; C500-C515 WeakPolarHBondContact SG-CA 2.97Å; C500-C515 WeakPolarHBondContact SG-CB 2.91Å; C500-C515 CovalentContact SG-SG 2.03Å; C500-C515 PolarHBondContact SG-SG 3.2Å; C500-Q545 PolarHBondContact O-NE2 3.06Å
501	H	89.8	Confident	92.3	Very high	41 Å²	41	18.6 Å²	18.6	19%	0.19	10%	0.102	C	C	.	.	S	Bend	trans	-83.6	168.3	176	-55.8	-92.5	0	0	0	112.2	G503 G504 G525 C526 Q527 G573	H501-G503 VanDerWaalsContact C-N 3.26Å; H501-G503 PolarHBondContact O-N 3.26Å; H501-G503 VanDerWaalsContact O-N 3.09Å; H501-G504 PolarHBondContact O-N 3.28Å; H501-G525 WeakPolarHBondContact CA-O 2.92Å; H501-G525 VanDerWaalsContact CB-O 3.28Å; H501-G525 WeakPolarHBondContact CB-O 3.48Å; H501-G525 PolarHBondContact CD2-O 3.19Å; H501-G525 VanDerWaalsContact CD2-O 3.27Å; H501-G525 PolarHBondContact N-O 3.01Å; H501-C526 WeakPolarHBondContact O-CB 3.42Å; H501-Q527 HydrophobicContact CB-CB 4.43Å; H501-G573 PolarHBondContact CE1-O 2.73Å; H501-G573 PolarHBondContact ND1-O 3.43Å
502	N	88.4	Confident	92.3	Very high	23 Å²	23	21.9 Å²	21.9	12%	0.123	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.7	40.7	175.5	-59.9	-57.6	0	0	0	115.7	G504 P518 F521 C526 Q527 P543 Q545	N502-G504 VanDerWaalsContact C-N 3.32Å; N502-G504 PolarHBondContact O-N 3.37Å; N502-P518 WeakPolarHBondContact O-CG 3.47Å; N502-F521 HydrophobicContact CB-CB 4.4Å; N502-F521 HydrophobicContact CB-CD1 3.4Å; N502-F521 HydrophobicContact CB-CD2 3.91Å; N502-F521 HydrophobicContact CB-CE1 3.48Å; N502-F521 VanDerWaalsContact CB-CE1 3.48Å; N502-F521 HydrophobicContact CB-CE2 3.99Å; N502-F521 HydrophobicContact CB-CG 3.63Å; N502-F521 HydrophobicContact CB-CZ 3.79Å; N502-F521 VanDerWaalsContact CG-CD1 3.48Å; N502-F521 WeakPolarHBondContact ND2-CD1 3.37Å; N502-C526 WeakPolarHBondContact CB-O 2.97Å; N502-C526 PolarHBondContact ND2-O 3.34Å; N502-Q527 PolarHBondContact ND2-O 2.82Å; N502-Q527 VanDerWaalsContact ND2-O 3.08Å; N502-P543 VanDerWaalsContact C-CG 3.44Å; N502-P543 HydrophobicContact CB-CG 3.84Å; N502-P543 WeakPolarHBondContact O-CB 3.17Å; N502-P543 WeakPolarHBondContact O-CG 3.46Å; N502-Q545 VanDerWaalsContact CA-OE1 3.3Å
503	G	86.8	Confident	92.4	Very high	21 Å²	21	21.8 Å²	21.8	22%	0.216	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	18.3	179	0	0	0	0	0	114.5	H501 L544	H501-G503 VanDerWaalsContact C-N 3.26Å; H501-G503 PolarHBondContact O-N 3.26Å; H501-G503 VanDerWaalsContact O-N 3.09Å; G503-L544 WeakPolarHBondContact CA-O 3.34Å
504	G	90	Very high	92.4	Very high	14 Å²	14	22.3 Å²	22.3	14%	0.144	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-57	137.4	172.7	0	0	0	0	0	112.3	H501 N502 M516	H501-G504 PolarHBondContact O-N 3.28Å; N502-G504 VanDerWaalsContact C-N 3.32Å; N502-G504 PolarHBondContact O-N 3.37Å; G504-M516 CarbonylContact C-O 3.46Å; G504-M516 WeakPolarHBondContact CA-O 3.05Å
505	T	91.1	Very high	92.3	Very high	31 Å²	31	22 Å²	22	19%	0.19	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	120.8	176	-54.2	0	0	0	0	109.2	K222 L236 M516	K222-T505 HydrophobicContact CD-CG2 4.17Å; K222-T505 WeakPolarHBondContact CE-OG1 3.28Å; K222-T505 HydrophobicContact CG-CG2 4.42Å; K222-T505 PolarHBondContact NZ-OG1 3.47Å; L236-T505 HydrophobicContact CD1-CG2 3.81Å; T505-M516 HydrophobicContact CG2-CE 3.72Å; T505-M516 PolarHBondContact N-O 3.07Å; T505-M516 WeakPolarHBondContact O-CB 3.07Å; T505-M516 PolarHBondContact O-N 3.27Å
506	L	92.6	Very high	92.2	Very high	20 Å²	20	21.5 Å²	21.5	11%	0.105	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	141.7	177.9	-169.5	60.7	0	0	0	109.8	I494 C497 K498 C500 C513 N548	I494-L506 VanDerWaalsContact CD1-C 3.46Å; I494-L506 HydrophobicContact CD1-CB 3.86Å; I494-L506 HydrophobicContact CD1-CD2 4.12Å; I494-L506 HydrophobicContact CD1-CG 3.68Å; I494-L506 WeakPolarHBondContact CD1-O 3.24Å; I494-L506 HydrophobicContact CG1-CB 4.47Å; I494-L506 HydrophobicContact CG1-CD2 3.88Å; I494-L506 HydrophobicContact CG1-CG 3.77Å; C497-L506 HydrophobicContact CB-CD1 4.05Å; C497-L506 HydrophobicContact CB-CD2 3.7Å; C497-L506 HydrophobicContact CB-CG 4.15Å; K498-L506 WeakPolarHBondContact O-CD1 3.45Å; K498-L506 WeakPolarHBondContact O-CD2 3.47Å; C500-L506 VanDerWaalsContact SG-CD1 3.51Å; L506-C513 HydrophobicContact CD1-CB 4.31Å; L506-N548 HydrophobicContact CD2-CB 4.23Å; L506-N548 WeakPolarHBondContact CD2-ND2 3.38Å
507	A	94	Very high	91.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	151.1	167	0	0	0	0	0	110.9	L225 L236 C513 I514 M516	L225-A507 HydrophobicContact CD1-CB 3.84Å; L236-A507 HydrophobicContact CB-CB 3.86Å; L236-A507 HydrophobicContact CD1-CB 4.46Å; L236-A507 CarbonylContact O-C 3.55Å; L236-A507 WeakPolarHBondContact O-CA 3.38Å; A507-C513 CarbonylContact O-C 3.56Å; A507-C513 WeakPolarHBondContact O-CA 3.25Å; A507-I514 HydrophobicContact CB-CD1 4.48Å; A507-I514 HydrophobicContact CB-CG1 4.02Å; A507-I514 PolarHBondContact N-O 3.5Å; A507-I514 PolarHBondContact O-N 3.5Å; A507-M516 HydrophobicContact CB-CE 3.74Å
508	L	94.8	Very high	91.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	125.1	171.7	171.3	69.4	0	0	0	108.8	F65 L236 F238 Y492 I494 K512	F65-L508 HydrophobicContact CB-CD1 4.07Å; F65-L508 HydrophobicContact CD1-CD1 3.72Å; F65-L508 HydrophobicContact CD2-CD1 3.51Å; F65-L508 HydrophobicContact CD2-CD2 3.88Å; F65-L508 HydrophobicContact CD2-CG 4.32Å; F65-L508 HydrophobicContact CE1-CD1 3.95Å; F65-L508 HydrophobicContact CE1-CD2 4.23Å; F65-L508 HydrophobicContact CE2-CD1 3.81Å; F65-L508 HydrophobicContact CE2-CD2 3.32Å; F65-L508 HydrophobicContact CE2-CG 4.21Å; F65-L508 HydrophobicContact CG-CD1 3.5Å; F65-L508 VanDerWaalsContact CG-CD1 3.5Å; F65-L508 HydrophobicContact CZ-CD1 4.03Å; F65-L508 HydrophobicContact CZ-CD2 3.55Å; F65-L508 HydrophobicContact CZ-CG 4.42Å; L236-L508 PolarHBondContact O-N 3.44Å; F238-L508 PolarHBondContact N-O 3.28Å; Y492-L508 VanDerWaalsContact O-CD2 3.32Å; Y492-L508 WeakPolarHBondContact O-CD2 3.24Å; I494-L508 HydrophobicContact CB-CB 4.41Å; I494-L508 HydrophobicContact CG1-CB 4.37Å; L508-K512 WeakPolarHBondContact CA-O 3.18Å
509	I	93.4	Very high	90.9	Very high	14 Å²	14	22.1 Å²	22.1	7%	0.072	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	118.6	176.8	-55.8	175.1	0	0	0	108.2	L225 F238 F240 I264 I268 G511 K512 I514	L225-I509 HydrophobicContact CD1-CD1 4.15Å; L225-I509 HydrophobicContact CD2-CD1 4.1Å; F238-I509 HydrophobicContact CB-CG1 4.43Å; F238-I509 HydrophobicContact CD2-CG1 4.41Å; F240-I509 HydrophobicContact CD2-CG2 3.86Å; F240-I509 HydrophobicContact CE2-CG2 3.82Å; I264-I509 HydrophobicContact CG2-CD1 4.41Å; I268-I509 HydrophobicContact CD1-CD1 3.42Å; I268-I509 VanDerWaalsContact CD1-CD1 3.42Å; I509-G511 VanDerWaalsContact C-N 3.26Å; I509-G511 PolarHBondContact O-N 2.04Å; I509-G511 VanDerWaalsContact O-N 3.12Å; I509-K512 PolarHBondContact N-O 3.02Å; I509-K512 PolarHBondContact O-N 3.44Å; I509-I514 HydrophobicContact CD1-CD1 3.74Å
510	D	91.4	Very high	90.5	Very high	25 Å²	25	24 Å²	24	13%	0.134	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	44.2	174.4	-61.3	-55.7	0	0	0	114.6	F238 F240 S241 R265	F238-D510 PolarHBondContact O-N 3.1Å; F240-D510 PolarHBondContact N-OD1 3.06Å; S241-D510 PolarHBondContact N-OD1 3.49Å; R265-D510 IonicContact CZ-OD2 3.34Å; R265-D510 IonicContact NE-OD2 3.03Å; R265-D510 PolarHBondContact NE-OD2 3.11Å; R265-D510 IonicContact NH2-OD1 3.78Å; R265-D510 IonicContact NH2-OD2 3.17Å; R265-D510 PolarHBondContact NH2-OD2 2.87Å
511	G	92.3	Very high	90.2	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.01	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	10.5	177.3	0	0	0	0	0	115.3	F65 G66 C73 I509	F65-G511 VanDerWaalsContact CD1-CA 3.46Å; F65-G511 WeakPolarHBondContact CD1-O 3Å; G66-G511 PolarHBondContact N-O 3.32Å; C73-G511 PolarHBondContact N-O 3.39Å; I509-G511 VanDerWaalsContact C-N 3.26Å; I509-G511 PolarHBondContact O-N 2.04Å; I509-G511 VanDerWaalsContact O-N 3.12Å
512	K	94.8	Very high	90	Very high	85 Å²	85	25.3 Å²	25.3	37%	0.37	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.8	174.4	-163.8	171	-176.5	165.1	0	112	G66 P72 L508 I509	G66-K512 CarbonylContact O-C 3.56Å; G66-K512 WeakPolarHBondContact O-CA 3.32Å; P72-K512 HydrophobicContact CB-CB 3.99Å; P72-K512 HydrophobicContact CB-CD 4.39Å; P72-K512 HydrophobicContact CB-CG 4.39Å; L508-K512 WeakPolarHBondContact CA-O 3.18Å; I509-K512 PolarHBondContact N-O 3.02Å; I509-K512 PolarHBondContact O-N 3.44Å
513	C	95.5	Very high	89.9	Confident	3 Å²	3	25.5 Å²	25.5	2%	0.02	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	131.7	171.9	-51.7	0	0	0	0	110.1	F65 G66 Q67 C497 L506 A507	F65-C513 WeakPolarHBondContact CB-SG 3.49Å; G66-C513 PolarHBondContact O-N 3.44Å; Q67-C513 HydrophobicContact CB-CB 3.92Å; Q67-C513 HydrophobicContact CG-CB 3.71Å; C497-C513 VanDerWaalsContact CA-SG 3.58Å; C497-C513 HydrophobicContact CB-CB 3.71Å; C497-C513 WeakPolarHBondContact CB-SG 3.38Å; C497-C513 WeakPolarHBondContact SG-CB 3.43Å; C497-C513 CovalentContact SG-SG 2.01Å; C497-C513 PolarHBondContact SG-SG 3.34Å; L506-C513 HydrophobicContact CD1-CB 4.31Å; A507-C513 CarbonylContact O-C 3.56Å; A507-C513 WeakPolarHBondContact O-CA 3.25Å
514	I	93.1	Very high	90	Very high	32 Å²	32	27.9 Å²	27.9	16%	0.164	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	143.4	177.3	63.1	169.1	0	0	0	110.7	I268 A507 I509	I268-I514 HydrophobicContact CD1-CD1 3.8Å; I268-I514 HydrophobicContact CG1-CD1 4.25Å; I268-I514 HydrophobicContact CG2-CD1 4.46Å; A507-I514 HydrophobicContact CB-CD1 4.48Å; A507-I514 HydrophobicContact CB-CG1 4.02Å; A507-I514 PolarHBondContact N-O 3.5Å; A507-I514 PolarHBondContact O-N 3.5Å; I509-I514 HydrophobicContact CD1-CD1 3.74Å
515	C	92.3	Very high	90	Very high	11 Å²	11	27.2 Å²	27.2	7%	0.074	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	112.6	174.7	-74.8	0	0	0	0	110.2	C500 C517	C500-C515 VanDerWaalsContact CA-SG 3.54Å; C500-C515 HydrophobicContact CB-CB 3.76Å; C500-C515 WeakPolarHBondContact CB-SG 3.06Å; C500-C515 WeakPolarHBondContact SG-CA 2.97Å; C500-C515 WeakPolarHBondContact SG-CB 2.91Å; C500-C515 CovalentContact SG-SG 2.03Å; C500-C515 PolarHBondContact SG-SG 3.2Å; C515-C517 PolarHBondContact O-N 3.14Å
516	M	91.1	Very high	89.9	Confident	4 Å²	4	25.7 Å²	25.7	2%	0.02	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	99.4	175.4	-72.7	178.8	-66.1	0	0	109.4	H218 V221 K222 L225 L236 G504 T505 A507	H218-M516 HydrophobicContact CB-CB 3.76Å; H218-M516 HydrophobicContact CB-CG 4.16Å; V221-M516 HydrophobicContact CB-SD 4.08Å; V221-M516 HydrophobicContact CG1-SD 3.71Å; K222-M516 HydrophobicContact CB-CE 4.27Å; K222-M516 HydrophobicContact CB-SD 3.86Å; L225-M516 HydrophobicContact CD1-CE 4.05Å; L225-M516 HydrophobicContact CD1-SD 4.07Å; L236-M516 HydrophobicContact CD1-CE 3.95Å; G504-M516 CarbonylContact C-O 3.46Å; G504-M516 WeakPolarHBondContact CA-O 3.05Å; T505-M516 HydrophobicContact CG2-CE 3.72Å; T505-M516 PolarHBondContact N-O 3.07Å; T505-M516 WeakPolarHBondContact O-CB 3.07Å; T505-M516 PolarHBondContact O-N 3.27Å; A507-M516 HydrophobicContact CB-CE 3.74Å
517	C	88.3	Confident	89.7	Confident	4 Å²	4	25.1 Å²	25.1	3%	0.027	13%	0.134	C	C	.	.			trans	-73.2	142.7	-175.2	-50.6	0	0	0	0	112.9	H218 C515 F521 C526	H218-C517 WeakPolarHBondContact CB-O 3.39Å; H218-C517 PolarHBondContact CE1-N 2.95Å; H218-C517 PolarHBondContact ND1-N 2.82Å; H218-C517 PolarHBondContact ND1-O 3.15Å; C515-C517 PolarHBondContact O-N 3.14Å; C517-F521 HydrophobicContact CB-CB 4.48Å; C517-C526 WeakPolarHBondContact CA-SG 3.23Å; C517-C526 HydrophobicContact CB-CB 3.6Å; C517-C526 WeakPolarHBondContact CB-SG 3.36Å; C517-C526 PolarHBondContact N-SG 2.92Å; C517-C526 VanDerWaalsContact N-SG 3.38Å; C517-C526 WeakPolarHBondContact SG-CA 3.35Å; C517-C526 WeakPolarHBondContact SG-CB 3.27Å; C517-C526 CovalentContact SG-SG 2.03Å; C517-C526 PolarHBondContact SG-SG 2Å
518	P	86.7	Confident	89.3	Confident	46 Å²	46	26 Å²	26	30%	0.299	14%	0.139	S	C	.	.			trans	-64.3	159.4	166.3	-14	29.3	0	0	0	110.7	N502 L520 F521	N502-P518 WeakPolarHBondContact O-CG 3.47Å; P518-L520 VanDerWaalsContact C-N 3.26Å; P518-L520 PolarHBondContact O-N 2.65Å; P518-L520 VanDerWaalsContact O-N 3.07Å; P518-F521 HydrophobicContact CB-CD2 4.12Å; P518-F521 HydrophobicContact CG-CD2 4.15Å; P518-F521 PolarHBondContact O-N 3.48Å
519	E	79.1	Confident	88.8	Confident	80 Å²	80	27.8 Å²	27.8	37%	0.374	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-42.6	-171.1	-167	-163.7	138.8	0	0	114.4	F521 K530	E519-F521 VanDerWaalsContact C-N 3.26Å; E519-F521 PolarHBondContact O-N 2.77Å; E519-K530 WeakPolarHBondContact O-CD 3.26Å; E519-K530 PolarHBondContact O-NZ 3.36Å
520	L	83.4	Confident	88.1	Confident	46 Å²	46	28.1 Å²	28.1	24%	0.241	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	3.4	-177	-60.6	176.8	0	0	0	114.4	P518 F529 K530 K533 P541	P518-L520 VanDerWaalsContact C-N 3.26Å; P518-L520 PolarHBondContact O-N 2.65Å; P518-L520 VanDerWaalsContact O-N 3.07Å; L520-F529 HydrophobicContact CB-CD2 4.29Å; L520-F529 HydrophobicContact CB-CE2 3.92Å; L520-F529 HydrophobicContact CD1-CE2 4.4Å; L520-F529 VanDerWaalsContact O-CD2 3.29Å; L520-F529 WeakPolarHBondContact O-CD2 3.43Å; L520-K530 PolarHBondContact O-N 2.8Å; L520-K533 HydrophobicContact CD2-CB 4.18Å; L520-P541 HydrophobicContact CD1-CG 3.71Å
521	F	86.5	Confident	86.9	Confident	5 Å²	5	29.3 Å²	29.3	2%	0.022	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	151.3	-177.4	-60.4	-82.4	0	0	0	112.6	N502 C517 P518 E519 C526 N528 F529 K530 P541 P543	N502-F521 HydrophobicContact CB-CB 4.4Å; N502-F521 HydrophobicContact CB-CD1 3.4Å; N502-F521 HydrophobicContact CB-CD2 3.91Å; N502-F521 HydrophobicContact CB-CE1 3.48Å; N502-F521 VanDerWaalsContact CB-CE1 3.48Å; N502-F521 HydrophobicContact CB-CE2 3.99Å; N502-F521 HydrophobicContact CB-CG 3.63Å; N502-F521 HydrophobicContact CB-CZ 3.79Å; N502-F521 VanDerWaalsContact CG-CD1 3.48Å; N502-F521 WeakPolarHBondContact ND2-CD1 3.37Å; C517-F521 HydrophobicContact CB-CB 4.48Å; P518-F521 HydrophobicContact CB-CD2 4.12Å; P518-F521 HydrophobicContact CG-CD2 4.15Å; P518-F521 PolarHBondContact O-N 3.48Å; E519-F521 VanDerWaalsContact C-N 3.26Å; E519-F521 PolarHBondContact O-N 2.77Å; F521-C526 HydrophobicContact CB-CB 4.41Å; F521-N528 CarbonylContact C-O 3.56Å; F521-N528 WeakPolarHBondContact CA-O 3.34Å; F521-F529 HydrophobicContact CD1-CB 4.31Å; F521-F529 HydrophobicContact CD1-CD2 4.25Å; F521-F529 HydrophobicContact CE1-CB 4.21Å; F521-F529 AromaticContact CE1-CD2 3.82Å; F521-F529 HydrophobicContact CE1-CD2 3.82Å; F521-F529 HydrophobicContact CE1-CG 4.49Å; F521-F529 HydrophobicContact CZ-CD2 4.14Å; F521-K530 VanDerWaalsContact O-CE 3.23Å; F521-K530 WeakPolarHBondContact O-CE 3.33Å; F521-K530 PolarHBondContact O-NZ 2.68Å; F521-P541 HydrophobicContact CZ-CG 4.44Å; F521-P543 HydrophobicContact CE2-CB 4.24Å; F521-P543 HydrophobicContact CE2-CG 4Å; F521-P543 HydrophobicContact CZ-CG 3.86Å
522	E	85.3	Confident	85.5	Confident	66 Å²	66	35.5 Å²	35.5	31%	0.308	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	-179	176.2	57.7	178.1	-151.3	0	0	112.9	K274 C526 Q527 N528 K530	K274-E522 IonicContact NZ-OE1 2.67Å; K274-E522 IonicContact NZ-OE2 3.37Å; K274-E522 PolarHBondContact NZ-OE2 2.83Å; E522-C526 CarbonylContact O-C 3.52Å; E522-C526 VanDerWaalsContact O-C 3.24Å; E522-C526 WeakPolarHBondContact O-CA 3.29Å; E522-Q527 PolarHBondContact O-N 3.14Å; E522-Q527 VanDerWaalsContact O-N 3.14Å; E522-N528 HydrophobicContact CG-CB 4Å; E522-N528 PolarHBondContact N-O 2.9Å; E522-N528 WeakPolarHBondContact O-CB 3.3Å; E522-N528 PolarHBondContact O-N 3.34Å; E522-K530 VanDerWaalsContact CB-CE 3.47Å; E522-K530 HydrophobicContact CB-CG 4.32Å; E522-K530 HydrophobicContact CG-CD 4.49Å; E522-K530 HydrophobicContact CG-CG 3.83Å; E522-K530 WeakPolarHBondContact OE2-CE 3.46Å
523	G	86.6	Confident	83.8	Confident	27 Å²	27	34.3 Å²	34.3	28%	0.278	19%	0.188	S	C	.	.	S	Bend	trans	95.2	162	-172.8	0	0	0	0	0	111.8	G525 C526	G523-G525 PolarHBondContact O-N 3.18Å; G523-G525 VanDerWaalsContact O-N 3.1Å; G523-C526 PolarHBondContact O-N 3.06Å
524	L	88.3	Confident	82.1	Confident	71 Å²	71	35.7 Å²	35.7	37%	0.372	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-28	-176.2	-64.3	178.7	0	0	0	114.1	E31 F68	E31-L524 HydrophobicContact CB-CD1 4.44Å; E31-L524 HydrophobicContact CG-CD1 4.48Å; E31-L524 VanDerWaalsContact OE2-CD1 3.25Å; E31-L524 WeakPolarHBondContact OE2-CD1 3.46Å; F68-L524 HydrophobicContact CD1-CB 4.34Å; F68-L524 WeakPolarHBondContact CD1-O 3.05Å
525	G	89.4	Confident	80	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	13.5	175.7	0	0	0	0	0	113.9	H501 G523 Q527	H501-G525 WeakPolarHBondContact CA-O 2.92Å; H501-G525 VanDerWaalsContact CB-O 3.28Å; H501-G525 WeakPolarHBondContact CB-O 3.48Å; H501-G525 PolarHBondContact CD2-O 3.19Å; H501-G525 VanDerWaalsContact CD2-O 3.27Å; H501-G525 PolarHBondContact N-O 3.01Å; G523-G525 PolarHBondContact O-N 3.18Å; G523-G525 VanDerWaalsContact O-N 3.1Å; G525-Q527 VanDerWaalsContact C-N 3.27Å; G525-Q527 PolarHBondContact O-N 2.91Å
526	C	90.4	Very high	78	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	63.6	28.7	-175.1	-44.3	0	0	0	0	113.9	H501 N502 C517 F521 E522 G523	H501-C526 WeakPolarHBondContact O-CB 3.42Å; N502-C526 WeakPolarHBondContact CB-O 2.97Å; N502-C526 PolarHBondContact ND2-O 3.34Å; C517-C526 WeakPolarHBondContact CA-SG 3.23Å; C517-C526 HydrophobicContact CB-CB 3.6Å; C517-C526 WeakPolarHBondContact CB-SG 3.36Å; C517-C526 PolarHBondContact N-SG 2.92Å; C517-C526 VanDerWaalsContact N-SG 3.38Å; C517-C526 WeakPolarHBondContact SG-CA 3.35Å; C517-C526 WeakPolarHBondContact SG-CB 3.27Å; C517-C526 CovalentContact SG-SG 2.03Å; C517-C526 PolarHBondContact SG-SG 2Å; F521-C526 HydrophobicContact CB-CB 4.41Å; E522-C526 CarbonylContact O-C 3.52Å; E522-C526 VanDerWaalsContact O-C 3.24Å; E522-C526 WeakPolarHBondContact O-CA 3.29Å; G523-C526 PolarHBondContact O-N 3.06Å
527	Q	87.7	Confident	76	Confident	8 Å²	8	56 Å²	56	4%	0.037	31%	0.305	C	S	.	.			trans	-76.6	-28.2	-173.3	71.5	-77.8	7.1	0	0	113.8	L29 H501 N502 E522 G525	L29-Q527 HydrophobicContact CB-CG 4.05Å; H501-Q527 HydrophobicContact CB-CB 4.43Å; N502-Q527 PolarHBondContact ND2-O 2.82Å; N502-Q527 VanDerWaalsContact ND2-O 3.08Å; E522-Q527 PolarHBondContact O-N 3.14Å; E522-Q527 VanDerWaalsContact O-N 3.14Å; G525-Q527 VanDerWaalsContact C-N 3.27Å; G525-Q527 PolarHBondContact O-N 2.91Å
528	N	85.2	Confident	74.4	Confident	17 Å²	17	59.4 Å²	59.4	9%	0.091	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	142.4	-171.9	-69.1	-30.7	0	0	0	111.8	L29 F521 E522	L29-N528 WeakPolarHBondContact CA-OD1 3.08Å; L29-N528 WeakPolarHBondContact CB-OD1 3.42Å; L29-N528 PolarHBondContact N-OD1 3.35Å; L29-N528 PolarHBondContact O-ND2 2.03Å; L29-N528 PolarHBondContact O-OD1 3.41Å; F521-N528 CarbonylContact C-O 3.56Å; F521-N528 WeakPolarHBondContact CA-O 3.34Å; E522-N528 HydrophobicContact CG-CB 4Å; E522-N528 PolarHBondContact N-O 2.9Å; E522-N528 WeakPolarHBondContact O-CB 3.3Å; E522-N528 PolarHBondContact O-N 3.34Å
529	F	84.3	Confident	72.9	Confident	39 Å²	39	66.3 Å²	66.3	17%	0.171	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.8	177.5	176.2	-110.1	0	0	0	110.7	L520 F521 A531 A534 K540 P541	L520-F529 HydrophobicContact CB-CD2 4.29Å; L520-F529 HydrophobicContact CB-CE2 3.92Å; L520-F529 HydrophobicContact CD1-CE2 4.4Å; L520-F529 VanDerWaalsContact O-CD2 3.29Å; L520-F529 WeakPolarHBondContact O-CD2 3.43Å; F521-F529 HydrophobicContact CD1-CB 4.31Å; F521-F529 HydrophobicContact CD1-CD2 4.25Å; F521-F529 HydrophobicContact CE1-CB 4.21Å; F521-F529 AromaticContact CE1-CD2 3.82Å; F521-F529 HydrophobicContact CE1-CD2 3.82Å; F521-F529 HydrophobicContact CE1-CG 4.49Å; F521-F529 HydrophobicContact CZ-CD2 4.14Å; F529-A531 HydrophobicContact CD1-CB 4.15Å; F529-A531 HydrophobicContact CE1-CB 4.1Å; F529-A531 PolarHBondContact O-N 3.45Å; F529-A531 VanDerWaalsContact O-N 3.14Å; F529-A534 HydrophobicContact CE1-CB 4.46Å; F529-A534 HydrophobicContact CZ-CB 3.96Å; F529-K540 HydrophobicContact CD2-CG 4.16Å; F529-K540 HydrophobicContact CG-CG 4.19Å; F529-P541 VanDerWaalsContact CE2-CD 3.43Å; F529-P541 HydrophobicContact CE2-CG 4.14Å
530	K	78.4	Confident	72.3	Confident	21 Å²	21	67.5 Å²	67.5	9%	0.091	37%	0.37	C	S	.	.			trans	-81.6	84.3	176.9	-64.2	-176.5	-165.4	153	0	110.3	D216 E519 L520 F521 E522 D532 K533	D216-K530 IonicContact OD1-NZ 3.45Å; D216-K530 PolarHBondContact OD1-NZ 2.91Å; E519-K530 WeakPolarHBondContact O-CD 3.26Å; E519-K530 PolarHBondContact O-NZ 3.36Å; L520-K530 PolarHBondContact O-N 2.8Å; F521-K530 VanDerWaalsContact O-CE 3.23Å; F521-K530 WeakPolarHBondContact O-CE 3.33Å; F521-K530 PolarHBondContact O-NZ 2.68Å; E522-K530 VanDerWaalsContact CB-CE 3.47Å; E522-K530 HydrophobicContact CB-CG 4.32Å; E522-K530 HydrophobicContact CG-CD 4.49Å; E522-K530 HydrophobicContact CG-CG 3.83Å; E522-K530 WeakPolarHBondContact OE2-CE 3.46Å; K530-D532 VanDerWaalsContact C-OD1 3.29Å; K530-D532 WeakPolarHBondContact CA-OD1 3.45Å; K530-D532 WeakPolarHBondContact CB-OD1 3.25Å; K530-D532 PolarHBondContact O-N 2.7Å; K530-K533 HydrophobicContact CB-CB 4.38Å; K530-K533 HydrophobicContact CD-CD 4.14Å; K530-K533 PolarHBondContact O-N 3.38Å
531	A	66.6	Low	71.6	Confident	49 Å²	49	67.9 Å²	67.9	41%	0.405	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-64.7	-24.2	-178.8	0	0	0	0	0	113.7	A26 F529 K533 A534	A26-A531 HydrophobicContact CB-CB 3.94Å; F529-A531 HydrophobicContact CD1-CB 4.15Å; F529-A531 HydrophobicContact CE1-CB 4.1Å; F529-A531 PolarHBondContact O-N 3.45Å; F529-A531 VanDerWaalsContact O-N 3.14Å; A531-K533 VanDerWaalsContact C-N 3.33Å; A531-A534 PolarHBondContact O-N 3.26Å
532	D	63.8	Low	70.7	Confident	131 Å²	131	74.2 Å²	74.2	70%	0.701	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-68.8	-25.1	176.2	59.3	-35.7	0	0	0	114	K530	K530-D532 VanDerWaalsContact C-OD1 3.29Å; K530-D532 WeakPolarHBondContact CA-OD1 3.45Å; K530-D532 WeakPolarHBondContact CB-OD1 3.25Å; K530-D532 PolarHBondContact O-N 2.7Å
533	K	58.3	Low	70.2	Confident	60 Å²	60	72.7 Å²	72.7	26%	0.261	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-96.9	-3	177.7	-70	-165.4	173.2	-162.2	0	114.3	L520 K530 A531 S535	L520-K533 HydrophobicContact CD2-CB 4.18Å; K530-K533 HydrophobicContact CB-CB 4.38Å; K530-K533 HydrophobicContact CD-CD 4.14Å; K530-K533 PolarHBondContact O-N 3.38Å; A531-K533 VanDerWaalsContact C-N 3.33Å; K533-S535 PolarHBondContact O-N 2.76Å
534	A	59	Low	69.7	Low	32 Å²	32	78.3 Å²	78.3	26%	0.264	43%	0.434	S	S	.	.			trans	-75.7	114.1	178.4	0	0	0	0	0	110.6	F529 A531 H536	F529-A534 HydrophobicContact CE1-CB 4.46Å; F529-A534 HydrophobicContact CZ-CB 3.96Å; A531-A534 PolarHBondContact O-N 3.26Å; A534-H536 PolarHBondContact O-N 3.02Å
535	S	49.6	Very low	69.5	Low	113 Å²	113	76.9 Å²	76.9	79%	0.79	43%	0.425	S	S	*	.	S	Bend	trans	-58.8	-13.9	177.4	-172.4	0	0	0	0	114.3	K533	K533-S535 PolarHBondContact O-N 2.76Å
536	H	49.6	Very low	69.2	Low	154 Å²	154	81 Å²	81	71%	0.713	44%	0.444	S	S	*	.	S	Bend	trans	-127.4	122.4	174.4	-66.1	-62	0	0	0	109.6	A534 G538	A534-H536 PolarHBondContact O-N 3.02Å; H536-G538 PolarHBondContact O-N 2.84Å
537	Q	49.8	Very low	68.9	Low	207 Å²	207	81.6 Å²	81.6	97%	0.967	45%	0.45	S	S	*	.	S	Bend	trans	-58.4	106.6	164.8	-83.8	179.9	-17.5	0	0	108.5
538	G	55.1	Low	69	Low	75 Å²	75	82.2 Å²	82.2	77%	0.773	45%	0.454	S	S	*	.	S	Bend	trans	100.9	73.5	166.4	0	0	0	0	0	116.2	H536	H536-G538 PolarHBondContact O-N 2.84Å
539	K	54.8	Low	69.3	Low	192 Å²	192	83.1 Å²	83.1	84%	0.835	46%	0.456	S	S	*	.				-174.2	126.6	122	-137	168.4	178.2	175.8	0	108.4	P541	K539-P541 WeakPolarHBondContact O-CD 3.32Å; K539-P541 VanDerWaalsContact O-N 3.13Å
540	K	65.4	Low	69.6	Low	104 Å²	104	82.9 Å²	82.9	45%	0.452	46%	0.459	S	S	.	.			trans	-57.6	117.4	168.9	-175.7	-179.8	-178.7	-179.4	0	107.3	F529	F529-K540 HydrophobicContact CD2-CG 4.16Å; F529-K540 HydrophobicContact CG-CG 4.19Å
541	P	68.8	Low	70.2	Confident	54 Å²	54	84 Å²	84	35%	0.351	47%	0.47	S	S	.	.			trans	-59.9	146.2	174.4	23.6	-28.8	0	0	0	108.2	L520 F521 F529 K539 P543	L520-P541 HydrophobicContact CD1-CG 3.71Å; F521-P541 HydrophobicContact CZ-CG 4.44Å; F529-P541 VanDerWaalsContact CE2-CD 3.43Å; F529-P541 HydrophobicContact CE2-CG 4.14Å; K539-P541 WeakPolarHBondContact O-CD 3.32Å; K539-P541 VanDerWaalsContact O-N 3.13Å; P541-P543 WeakPolarHBondContact O-CD 2.99Å
542	T	69.3	Low	71.3	Confident	139 Å²	139	84.1 Å²	84.1	85%	0.853	46%	0.46	S	S	*	.			trans	-90.3	93.7	172.7	-45.7	0	0	0	0	107.2
543	P	72.9	Confident	72.5	Confident	34 Å²	34	81.2 Å²	81.2	22%	0.221	45%	0.447	C	S	.	.			trans	-63.6	149.1	178.7	28.3	-35.9	0	0	0	109.5	N502 F521 P541 Q545	N502-P543 VanDerWaalsContact C-CG 3.44Å; N502-P543 HydrophobicContact CB-CG 3.84Å; N502-P543 WeakPolarHBondContact O-CB 3.17Å; N502-P543 WeakPolarHBondContact O-CG 3.46Å; F521-P543 HydrophobicContact CE2-CB 4.24Å; F521-P543 HydrophobicContact CE2-CG 4Å; F521-P543 HydrophobicContact CZ-CG 3.86Å; P541-P543 WeakPolarHBondContact O-CD 2.99Å; P543-Q545 PolarHBondContact O-N 2.65Å
544	L	77.3	Confident	73.6	Confident	145 Å²	145	83.7 Å²	83.7	76%	0.759	47%	0.471	S	S	*	.			trans	-64.3	105.7	168.5	-177.1	67.8	0	0	0	107.9	G503	G503-L544 WeakPolarHBondContact CA-O 3.34Å
545	Q	82.9	Confident	74.8	Confident	40 Å²	40	85.3 Å²	85.3	19%	0.187	47%	0.471	C	S	.	.			trans	-99.5	124.4	179.1	179.1	67.7	57.4	0	0	109.5	C500 N502 P543 L574 V578	C500-Q545 PolarHBondContact O-NE2 3.06Å; N502-Q545 VanDerWaalsContact CA-OE1 3.3Å; P543-Q545 PolarHBondContact O-N 2.65Å; Q545-L574 HydrophobicContact CG-CD1 4.09Å; Q545-L574 HydrophobicContact CG-CD2 4.37Å; Q545-V578 HydrophobicContact CB-CG2 4.06Å; Q545-V578 HydrophobicContact CG-CB 4.42Å; Q545-V578 HydrophobicContact CG-CG1 3.96Å; Q545-V578 HydrophobicContact CG-CG2 3.53Å
546	E	84.3	Confident	76.6	Confident	86 Å²	86	82.2 Å²	82.2	40%	0.402	45%	0.449	S	S	.	.	B	Isolated β-bridge	trans	-112.5	152.1	171.5	-62.4	-170.8	-178.6	0	0	110.2
547	G	84.4	Confident	78.4	Confident	13 Å²	13	79.9 Å²	79.9	13%	0.134	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-77.6	167.3	169.2	0	0	0	0	0	111.4	N570 V578 R579 C580	G547-N570 WeakPolarHBondContact CA-O 3.3Å; G547-V578 VanDerWaalsContact N-CG1 3.32Å; G547-R579 PolarHBondContact N-O 3.46Å; G547-R579 VanDerWaalsContact N-O 3.11Å; G547-C580 VanDerWaalsContact CA-SG 3.58Å; G547-C580 PolarHBondContact O-SG 3.24Å
548	N	89.6	Confident	80.3	Confident	22 Å²	22	73.4 Å²	73.4	12%	0.118	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	140.7	170.9	-169.5	27.4	0	0	0	109.8	I494 C497 P499 L506 N570 C580	I494-N548 PolarHBondContact O-ND2 2.94Å; I494-N548 VanDerWaalsContact O-ND2 3.11Å; C497-N548 PolarHBondContact O-ND2 3.13Å; P499-N548 HydrophobicContact CB-CB 4Å; L506-N548 HydrophobicContact CD2-CB 4.23Å; L506-N548 WeakPolarHBondContact CD2-ND2 3.38Å; N548-N570 PolarHBondContact N-O 3.11Å; N548-N570 WeakPolarHBondContact O-CA 3.16Å; N548-N570 VanDerWaalsContact O-CB 3.23Å; N548-N570 WeakPolarHBondContact O-CB 3.02Å; N548-N570 PolarHBondContact O-N 3.07Å; N548-C580 PolarHBondContact O-SG 3.17Å; N548-C580 VanDerWaalsContact O-SG 3.4Å
549	W	90.3	Very high	82	Confident	35 Å²	35	73.4 Å²	73.4	13%	0.133	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	135.9	172.9	-78.3	114.2	0	0	0	110.5	C495 R567 C569 C580 K581 G582 L584	C495-W549 VanDerWaalsContact CA-O 3.29Å; C495-W549 WeakPolarHBondContact CA-O 3.38Å; C495-W549 WeakPolarHBondContact CB-O 3.31Å; W549-R567 HydrophobicContact CD2-CG 4.29Å; W549-R567 HydrophobicContact CE3-CB 4.45Å; W549-R567 HydrophobicContact CE3-CG 3.66Å; W549-R567 HydrophobicContact CZ3-CG 4.02Å; W549-C569 HydrophobicContact CE3-CB 4.35Å; W549-C569 HydrophobicContact CZ3-CB 4.03Å; W549-C580 HydrophobicContact CD2-CB 3.72Å; W549-C580 HydrophobicContact CE3-CB 4.1Å; W549-C580 HydrophobicContact CG-CB 4.32Å; W549-C580 HydrophobicContact CH2-CB 3.85Å; W549-C580 HydrophobicContact CZ2-CB 3.44Å; W549-C580 VanDerWaalsContact CZ2-CB 3.44Å; W549-C580 HydrophobicContact CZ3-CB 4.15Å; W549-K581 PolarHBondContact NE1-O 3.32Å; W549-G582 WeakPolarHBondContact CZ2-O 2.92Å; W549-L584 HydrophobicContact CH2-CD2 3.79Å; W549-L584 HydrophobicContact CH2-CG 4.08Å; W549-L584 HydrophobicContact CZ3-CD2 3.61Å; W549-L584 HydrophobicContact CZ3-CG 4.35Å
550	S	90.5	Very high	83.6	Confident	34 Å²	34	76.1 Å²	76.1	24%	0.238	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-66.7	161.9	164.6	82.8	0	0	0	0	109.8	R568	S550-R568 VanDerWaalsContact CB-O 3.29Å; S550-R568 WeakPolarHBondContact CB-O 3.49Å; S550-R568 PolarHBondContact N-O 2.87Å; S550-R568 PolarHBondContact OG-N 3.31Å; S550-R568 PolarHBondContact OG-O 3.2Å
551	C	91.1	Very high	84.7	Confident	46 Å²	46	72.7 Å²	72.7	31%	0.311	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-61.4	146.7	175.2	-55.4	0	0	0	0	110.4	C495 K496	C495-C551 HydrophobicContact CB-CB 3.93Å; C495-C551 WeakPolarHBondContact CB-SG 3.47Å; C495-C551 WeakPolarHBondContact SG-CA 3.48Å; C495-C551 WeakPolarHBondContact SG-CB 3.45Å; C495-C551 CovalentContact SG-SG 2.03Å; C495-C551 PolarHBondContact SG-SG 2.91Å; K496-C551 WeakPolarHBondContact CG-SG 3.38Å
552	W	89.9	Confident	85.8	Confident	51 Å²	51	74.2 Å²	74.2	19%	0.193	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-59.6	139.4	170.5	-73.5	111.7	0	0	0	109.9	D233 R565 T566 R567	D233-W552 PolarHBondContact OD2-NE1 3.41Å; W552-R565 HydrophobicContact CD2-CG 4.15Å; W552-R565 HydrophobicContact CE3-CB 4.26Å; W552-R565 HydrophobicContact CE3-CG 3.65Å; W552-R565 HydrophobicContact CZ3-CG 4.12Å; W552-R565 WeakPolarHBondContact CZ3-O 3.05Å; W552-T566 VanDerWaalsContact CE3-C 3.46Å; W552-R567 HydrophobicContact CD2-CB 4.14Å; W552-R567 HydrophobicContact CD2-CG 4.11Å; W552-R567 HydrophobicContact CE3-CB 3.83Å; W552-R567 HydrophobicContact CE3-CG 3.8Å; W552-R567 HydrophobicContact CH2-CG 3.84Å; W552-R567 HydrophobicContact CZ2-CG 4.16Å; W552-R567 VanDerWaalsContact CZ2-NE 3.33Å; W552-R567 HydrophobicContact CZ3-CB 4.16Å; W552-R567 HydrophobicContact CZ3-CG 3.66Å
553	T	88.6	Confident	86.8	Confident	70 Å²	70	70.9 Å²	70.9	43%	0.429	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-64.5	160.5	166.6	61.4	0	0	0	0	110.2	R565 T566	T553-R565 WeakPolarHBondContact O-CB 3.41Å; T553-T566 WeakPolarHBondContact CG2-O 3.13Å; T553-T566 PolarHBondContact N-O 3.34Å; T553-T566 PolarHBondContact OG1-N 2.83Å; T553-T566 PolarHBondContact OG1-O 2.57Å
554	S	83.4	Confident	87.7	Confident	111 Å²	111	71.7 Å²	71.7	78%	0.776	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-52.1	147.4	164.9	-54.5	0	0	0	0	110.4	S556	S554-S556 PolarHBondContact O-N 2.99Å
555	W	83.8	Confident	88.3	Confident	66 Å²	66	67.6 Å²	67.6	25%	0.25	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-56.8	138.1	171.4	-72.8	108.8	0	0	0	110.4	R563 R565 D588	W555-R563 HydrophobicContact CD2-CG 4.15Å; W555-R563 HydrophobicContact CE3-CB 4.02Å; W555-R563 HydrophobicContact CE3-CG 3.62Å; W555-R563 HydrophobicContact CZ3-CG 4.05Å; W555-R565 HydrophobicContact CD2-CB 4.28Å; W555-R565 HydrophobicContact CD2-CG 4.2Å; W555-R565 HydrophobicContact CE3-CB 3.97Å; W555-R565 HydrophobicContact CE3-CG 3.88Å; W555-R565 HydrophobicContact CH2-CG 3.84Å; W555-R565 HydrophobicContact CZ2-CG 4.16Å; W555-R565 HydrophobicContact CZ3-CB 4.25Å; W555-R565 HydrophobicContact CZ3-CG 3.7Å; W555-D588 HydrophobicContact CH2-CB 3.41Å; W555-D588 VanDerWaalsContact CH2-CB 3.41Å; W555-D588 HydrophobicContact CZ2-CB 4.04Å; W555-D588 HydrophobicContact CZ3-CB 3.76Å
556	S	87.8	Confident	88.8	Confident	49 Å²	49	68.6 Å²	68.6	34%	0.343	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-61.4	161.4	169.5	71.8	0	0	0	0	110.7	S554 S564	S554-S556 PolarHBondContact O-N 2.99Å; S556-S564 WeakPolarHBondContact CB-O 3.43Å; S556-S564 PolarHBondContact N-O 3.4Å; S556-S564 PolarHBondContact OG-N 3.31Å; S556-S564 PolarHBondContact OG-O 3.24Å
557	S	87.3	Confident	89.1	Confident	104 Å²	104	66.1 Å²	66.1	73%	0.727	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-55.2	148.9	164.2	50.8	0	0	0	0	110.3	S559	S557-S559 PolarHBondContact O-N 3.03Å
558	C	88.4	Confident	89.5	Confident	71 Å²	71	75.1 Å²	75.1	48%	0.48	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-67.5	124.9	178.1	-163	0	0	0	0	109.8	C590	C558-C590 WeakPolarHBondContact CA-SG 3.14Å; C558-C590 HydrophobicContact CB-CB 3.95Å; C558-C590 WeakPolarHBondContact CB-SG 3.38Å; C558-C590 WeakPolarHBondContact SG-CB 3.41Å; C558-C590 PolarHBondContact SG-O 3.14Å; C558-C590 CovalentContact SG-SG 2.04Å; C558-C590 PolarHBondContact SG-SG 3.1Å
559	S	90.5	Very high	89.5	Confident	75 Å²	75	76 Å²	76	52%	0.524	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-134.2	121.2	178.4	-176.2	0	0	0	0	109.1	S557 G561 K562	S557-S559 PolarHBondContact O-N 3.03Å; S559-G561 VanDerWaalsContact C-N 3.26Å; S559-G561 PolarHBondContact O-N 2.83Å; S559-K562 PolarHBondContact N-O 3.06Å; S559-K562 PolarHBondContact O-N 2.89Å; S559-K562 VanDerWaalsContact O-N 3.11Å; S559-K562 VanDerWaalsContact O-O 3.05Å
560	R	89.6	Confident	89.4	Confident	250 Å²	250	75.7 Å²	75.7	94%	0.943	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	38.7	-179.7	-56	-179.2	175.7	179.5	-1.7	114	K562	R560-K562 VanDerWaalsContact C-N 3.31Å; R560-K562 PolarHBondContact O-N 3.4Å
561	G	88.6	Confident	89.3	Confident	31 Å²	31	76.2 Å²	76.2	32%	0.32	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	18.4	179	0	0	0	0	0	114.6	S559 Y589 C590	S559-G561 VanDerWaalsContact C-N 3.26Å; S559-G561 PolarHBondContact O-N 2.83Å; G561-Y589 WeakPolarHBondContact O-CD1 3.29Å; G561-C590 WeakPolarHBondContact CA-OXT 3.5Å; G561-C590 PolarHBondContact O-N 2.93Å
562	K	91.5	Very high	89	Confident	87 Å²	87	78.3 Å²	78.3	38%	0.378	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.8	179.8	-70.4	-173.2	167.2	-159.9	0	111.2	S559 R560 E587 D588 Y589 C590	S559-K562 PolarHBondContact N-O 3.06Å; S559-K562 PolarHBondContact O-N 2.89Å; S559-K562 VanDerWaalsContact O-N 3.11Å; S559-K562 VanDerWaalsContact O-O 3.05Å; R560-K562 VanDerWaalsContact C-N 3.31Å; R560-K562 PolarHBondContact O-N 3.4Å; K562-E587 IonicContact NZ-OE2 3.56Å; K562-E587 PolarHBondContact NZ-OE2 3.48Å; K562-D588 WeakPolarHBondContact CA-O 3.45Å; K562-Y589 HydrophobicContact CG-CD1 4.42Å; K562-Y589 HydrophobicContact CG-CE1 4.48Å; K562-C590 PolarHBondContact O-SG 3.22Å
563	R	90.3	Very high	88.5	Confident	69 Å²	69	78.9 Å²	78.9	26%	0.26	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	151.2	168.1	55.2	179.9	-175.2	172.8	4.2	108.9	W555 E587 D588 C590	W555-R563 HydrophobicContact CD2-CG 4.15Å; W555-R563 HydrophobicContact CE3-CB 4.02Å; W555-R563 HydrophobicContact CE3-CG 3.62Å; W555-R563 HydrophobicContact CZ3-CG 4.05Å; R563-E587 WeakPolarHBondContact O-CA 3.03Å; R563-D588 HydrophobicContact CG-CB 4.23Å; R563-D588 WeakPolarHBondContact CG-O 2.99Å; R563-D588 IonicContact CZ-OD2 2.79Å; R563-D588 PolarHBondContact N-O 3.03Å; R563-D588 IonicContact NE-OD2 3.68Å; R563-D588 PolarHBondContact NE-OD2 2.03Å; R563-D588 IonicContact NH2-OD2 3.44Å; R563-D588 PolarHBondContact NH2-OD2 2.81Å; R563-D588 PolarHBondContact O-N 3.04Å; R563-C590 HydrophobicContact CG-CB 4.12Å; R563-C590 PolarHBondContact N-SG 2.92Å; R563-C590 VanDerWaalsContact N-SG 3.43Å
564	S	91.1	Very high	88.3	Confident	50 Å²	50	76.8 Å²	76.8	35%	0.35	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	153.3	-179.5	65.4	0	0	0	0	111.4	S556 S586	S556-S564 WeakPolarHBondContact CB-O 3.43Å; S556-S564 PolarHBondContact N-O 3.4Å; S556-S564 PolarHBondContact OG-N 3.31Å; S556-S564 PolarHBondContact OG-O 3.24Å; S564-S586 CarbonylContact C-O 3.58Å; S564-S586 VanDerWaalsContact CA-O 3.28Å; S564-S586 WeakPolarHBondContact CA-O 3.41Å
565	R	90.8	Very high	88.1	Confident	60 Å²	60	73.2 Å²	73.2	23%	0.226	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	155.5	170.7	60.9	-178.1	-175.6	171	3.7	109.9	W552 T553 W555 T585 S586	W552-R565 HydrophobicContact CD2-CG 4.15Å; W552-R565 HydrophobicContact CE3-CB 4.26Å; W552-R565 HydrophobicContact CE3-CG 3.65Å; W552-R565 HydrophobicContact CZ3-CG 4.12Å; W552-R565 WeakPolarHBondContact CZ3-O 3.05Å; T553-R565 WeakPolarHBondContact O-CB 3.41Å; W555-R565 HydrophobicContact CD2-CB 4.28Å; W555-R565 HydrophobicContact CD2-CG 4.2Å; W555-R565 HydrophobicContact CE3-CB 3.97Å; W555-R565 HydrophobicContact CE3-CG 3.88Å; W555-R565 HydrophobicContact CH2-CG 3.84Å; W555-R565 HydrophobicContact CZ2-CG 4.16Å; W555-R565 HydrophobicContact CZ3-CB 4.25Å; W555-R565 HydrophobicContact CZ3-CG 3.7Å; R565-T585 WeakPolarHBondContact O-CA 3.45Å; R565-S586 PolarHBondContact N-O 2.93Å; R565-S586 PolarHBondContact O-N 2.67Å
566	T	92.4	Very high	87.7	Confident	61 Å²	61	76 Å²	76	37%	0.374	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	157.2	-175.1	66.9	0	0	0	0	111.2	W552 T553 L584 T585	W552-T566 VanDerWaalsContact CE3-C 3.46Å; T553-T566 WeakPolarHBondContact CG2-O 3.13Å; T553-T566 PolarHBondContact N-O 3.34Å; T553-T566 PolarHBondContact OG1-N 2.83Å; T553-T566 PolarHBondContact OG1-O 2.57Å; T566-L584 CarbonylContact C-O 3.54Å; T566-L584 WeakPolarHBondContact CA-O 3.02Å; T566-T585 HydrophobicContact CG2-CG2 4.02Å
567	R	91.9	Very high	87.4	Confident	33 Å²	33	78.6 Å²	78.6	13%	0.125	45%	0.445	C	S	.	.			trans	-142	161.5	171	61.1	179.4	178.9	-169	-3.1	110.1	W549 W552 E583 L584	W549-R567 HydrophobicContact CD2-CG 4.29Å; W549-R567 HydrophobicContact CE3-CB 4.45Å; W549-R567 HydrophobicContact CE3-CG 3.66Å; W549-R567 HydrophobicContact CZ3-CG 4.02Å; W552-R567 HydrophobicContact CD2-CB 4.14Å; W552-R567 HydrophobicContact CD2-CG 4.11Å; W552-R567 HydrophobicContact CE3-CB 3.83Å; W552-R567 HydrophobicContact CE3-CG 3.8Å; W552-R567 HydrophobicContact CH2-CG 3.84Å; W552-R567 HydrophobicContact CZ2-CG 4.16Å; W552-R567 VanDerWaalsContact CZ2-NE 3.33Å; W552-R567 HydrophobicContact CZ3-CB 4.16Å; W552-R567 HydrophobicContact CZ3-CG 3.66Å; R567-E583 PolarHBondContact NE-O 3.29Å; R567-E583 PolarHBondContact NH2-O 3.17Å; R567-L584 PolarHBondContact N-O 2.01Å; R567-L584 WeakPolarHBondContact O-CD2 2.91Å
568	R	91.9	Very high	87.2	Confident	203 Å²	203	74.1 Å²	74.1	77%	0.766	41%	0.413	S	S	*	.			trans	-116	150.2	-179.8	-62.4	-177.1	-178.4	-176.5	0.5	109.8	S550 N570	S550-R568 VanDerWaalsContact CB-O 3.29Å; S550-R568 WeakPolarHBondContact CB-O 3.49Å; S550-R568 PolarHBondContact N-O 2.87Å; S550-R568 PolarHBondContact OG-N 3.31Å; S550-R568 PolarHBondContact OG-O 3.2Å; R568-N570 PolarHBondContact O-N 2.03Å
569	C	90.6	Very high	87.2	Confident	41 Å²	41	78.7 Å²	78.7	28%	0.277	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	118.3	172.9	-177.6	0	0	0	0	109.6	W549 C580	W549-C569 HydrophobicContact CE3-CB 4.35Å; W549-C569 HydrophobicContact CZ3-CB 4.03Å; C569-C580 WeakPolarHBondContact CA-SG 3.47Å; C569-C580 HydrophobicContact CB-CB 3.73Å; C569-C580 WeakPolarHBondContact CB-SG 3.26Å; C569-C580 WeakPolarHBondContact SG-CB 3.4Å; C569-C580 PolarHBondContact SG-N 3.44Å; C569-C580 CovalentContact SG-SG 2.03Å; C569-C580 PolarHBondContact SG-SG 2.91Å
570	N	88.3	Confident	87	Confident	27 Å²	27	76.1 Å²	76.1	14%	0.144	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	113.7	173.3	-177.1	-2.8	0	0	0	109.4	G547 N548 R568 D572	G547-N570 WeakPolarHBondContact CA-O 3.3Å; N548-N570 PolarHBondContact N-O 3.11Å; N548-N570 WeakPolarHBondContact O-CA 3.16Å; N548-N570 VanDerWaalsContact O-CB 3.23Å; N548-N570 WeakPolarHBondContact O-CB 3.02Å; N548-N570 PolarHBondContact O-N 3.07Å; R568-N570 PolarHBondContact O-N 2.03Å; N570-D572 VanDerWaalsContact OD1-CB 3.28Å; N570-D572 WeakPolarHBondContact OD1-CB 3.48Å; N570-D572 PolarHBondContact OD1-N 3.42Å; N570-D572 PolarHBondContact OD1-OD1 3.4Å; N570-D572 PolarHBondContact OD1-OD2 3.31Å
571	T	87.9	Confident	86.8	Confident	45 Å²	45	71.8 Å²	71.8	28%	0.276	39%	0.39	S	S	.	.			trans	-118.5	21.2	177.2	61.2	0	0	0	0	111.8	G573 L574 V578	T571-G573 PolarHBondContact O-N 2.92Å; T571-L574 WeakPolarHBondContact O-CB 3.32Å; T571-L574 PolarHBondContact O-N 2.68Å; T571-V578 HydrophobicContact CG2-CB 4.41Å; T571-V578 HydrophobicContact CG2-CG1 4.24Å
572	D	84.4	Confident	86.7	Confident	90 Å²	90	72.9 Å²	72.9	48%	0.481	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	127.8	-179.2	-69.9	-10.1	0	0	0	110.6	K498 P499 N570 L574	K498-D572 HydrophobicContact CD-CB 4.48Å; K498-D572 IonicContact NZ-OD2 2.63Å; K498-D572 PolarHBondContact NZ-OD2 3.23Å; P499-D572 VanDerWaalsContact CG-O 3.29Å; P499-D572 WeakPolarHBondContact CG-O 3.43Å; N570-D572 VanDerWaalsContact OD1-CB 3.28Å; N570-D572 WeakPolarHBondContact OD1-CB 3.48Å; N570-D572 PolarHBondContact OD1-N 3.42Å; N570-D572 PolarHBondContact OD1-OD1 3.4Å; N570-D572 PolarHBondContact OD1-OD2 3.31Å; D572-L574 PolarHBondContact O-N 3.49Å
573	G	79.8	Confident	86.4	Confident	63 Å²	63	75.1 Å²	75.1	65%	0.649	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	-1.9	-177.5	0	0	0	0	0	114.9	H501 T571	H501-G573 PolarHBondContact CE1-O 2.73Å; H501-G573 PolarHBondContact ND1-O 3.43Å; T571-G573 PolarHBondContact O-N 2.92Å
574	L	84.5	Confident	86.4	Confident	27 Å²	27	76.7 Å²	76.7	14%	0.141	43%	0.426	C	S	.	.	S	Bend	trans	-99.7	164.6	177.8	-54	-174.6	0	0	0	112.2	P499 Q545 T571 D572 V578	P499-L574 HydrophobicContact CB-CD1 3.81Å; P499-L574 HydrophobicContact CB-CG 4.27Å; P499-L574 HydrophobicContact CG-CD1 3.96Å; P499-L574 HydrophobicContact CG-CG 3.99Å; Q545-L574 HydrophobicContact CG-CD1 4.09Å; Q545-L574 HydrophobicContact CG-CD2 4.37Å; T571-L574 WeakPolarHBondContact O-CB 3.32Å; T571-L574 PolarHBondContact O-N 2.68Å; D572-L574 PolarHBondContact O-N 3.49Å; L574-V578 HydrophobicContact CB-CB 4.23Å; L574-V578 HydrophobicContact CB-CG1 4.42Å; L574-V578 HydrophobicContact CB-CG2 4.08Å; L574-V578 HydrophobicContact CD1-CB 4.44Å; L574-V578 HydrophobicContact CD1-CG1 3.75Å
575	G	79.4	Confident	86.3	Confident	36 Å²	36	78.3 Å²	78.3	37%	0.371	43%	0.434	S	S	.	.			trans	-65.6	156.1	178	0	0	0	0	0	113.5	S577 V578	G575-S577 PolarHBondContact O-N 3.38Å; G575-S577 VanDerWaalsContact O-N 3.13Å; G575-V578 WeakPolarHBondContact O-CB 3.45Å; G575-V578 WeakPolarHBondContact O-CG2 3.18Å; G575-V578 PolarHBondContact O-N 3.08Å; G575-V578 VanDerWaalsContact O-N 3.09Å
576	P	74.9	Confident	86.3	Confident	123 Å²	123	76.6 Å²	76.6	80%	0.799	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.2	-171.7	25.6	-35	0	0	0	114.6	V578 R579	P576-V578 VanDerWaalsContact C-N 3.35Å; P576-R579 PolarHBondContact O-NH1 3.24Å
577	S	80.3	Confident	86.2	Confident	104 Å²	104	79.6 Å²	79.6	73%	0.727	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-8.4	178.7	53.2	0	0	0	0	113.9	G575	G575-S577 PolarHBondContact O-N 3.38Å; G575-S577 VanDerWaalsContact O-N 3.13Å
578	V	84.7	Confident	85.9	Confident	11 Å²	11	81.1 Å²	81.1	7%	0.067	45%	0.451	C	S	.	.			trans	-73.3	139.9	-176	178.2	0	0	0	0	111.1	Q545 G547 T571 L574 G575 P576	Q545-V578 HydrophobicContact CB-CG2 4.06Å; Q545-V578 HydrophobicContact CG-CB 4.42Å; Q545-V578 HydrophobicContact CG-CG1 3.96Å; Q545-V578 HydrophobicContact CG-CG2 3.53Å; G547-V578 VanDerWaalsContact N-CG1 3.32Å; T571-V578 HydrophobicContact CG2-CB 4.41Å; T571-V578 HydrophobicContact CG2-CG1 4.24Å; L574-V578 HydrophobicContact CB-CB 4.23Å; L574-V578 HydrophobicContact CB-CG1 4.42Å; L574-V578 HydrophobicContact CB-CG2 4.08Å; L574-V578 HydrophobicContact CD1-CB 4.44Å; L574-V578 HydrophobicContact CD1-CG1 3.75Å; G575-V578 WeakPolarHBondContact O-CB 3.45Å; G575-V578 WeakPolarHBondContact O-CG2 3.18Å; G575-V578 PolarHBondContact O-N 3.08Å; G575-V578 VanDerWaalsContact O-N 3.09Å; P576-V578 VanDerWaalsContact C-N 3.35Å
579	R	87	Confident	85.7	Confident	167 Å²	167	80.1 Å²	80.1	63%	0.63	45%	0.449	S	S	*	.	B	Isolated β-bridge	trans	-136.3	161.6	177.4	-61.1	-65.8	179.6	-102.6	2.4	109.8	G547 P576	G547-R579 PolarHBondContact N-O 3.46Å; G547-R579 VanDerWaalsContact N-O 3.11Å; P576-R579 PolarHBondContact O-NH1 3.24Å
580	C	87.6	Confident	85	Confident	20 Å²	20	82.1 Å²	82.1	14%	0.135	46%	0.462	C	S	.	.			trans	-96.4	143.2	173.6	-59.3	0	0	0	0	109.1	G547 N548 W549 C569	G547-C580 VanDerWaalsContact CA-SG 3.58Å; G547-C580 PolarHBondContact O-SG 3.24Å; N548-C580 PolarHBondContact O-SG 3.17Å; N548-C580 VanDerWaalsContact O-SG 3.4Å; W549-C580 HydrophobicContact CD2-CB 3.72Å; W549-C580 HydrophobicContact CE3-CB 4.1Å; W549-C580 HydrophobicContact CG-CB 4.32Å; W549-C580 HydrophobicContact CH2-CB 3.85Å; W549-C580 HydrophobicContact CZ2-CB 3.44Å; W549-C580 VanDerWaalsContact CZ2-CB 3.44Å; W549-C580 HydrophobicContact CZ3-CB 4.15Å; C569-C580 WeakPolarHBondContact CA-SG 3.47Å; C569-C580 HydrophobicContact CB-CB 3.73Å; C569-C580 WeakPolarHBondContact CB-SG 3.26Å; C569-C580 WeakPolarHBondContact SG-CB 3.4Å; C569-C580 PolarHBondContact SG-N 3.44Å; C569-C580 CovalentContact SG-SG 2.03Å; C569-C580 PolarHBondContact SG-SG 2.91Å
581	K	85.4	Confident	84.9	Confident	160 Å²	160	84.9 Å²	84.9	70%	0.696	48%	0.478	S	S	*	.			trans	-90.8	127.8	175.4	-171	177.7	-179.9	179.2	0	110.5	W549	W549-K581 PolarHBondContact NE1-O 3.32Å
582	G	85.2	Confident	84.7	Confident	53 Å²	53	86.9 Å²	86.9	55%	0.546	49%	0.489	S	S	.	.	S	Bend	trans	128.3	-174.4	178.5	0	0	0	0	0	113.2	W549	W549-G582 WeakPolarHBondContact CZ2-O 2.92Å
583	E	86.8	Confident	84.7	Confident	134 Å²	134	86.8 Å²	86.8	63%	0.626	49%	0.489	S	S	*	.			trans	-84.9	142.3	-175.2	-63.8	177.2	178.6	0	0	112.4	R567	R567-E583 PolarHBondContact NE-O 3.29Å; R567-E583 PolarHBondContact NH2-O 3.17Å
584	L	89.4	Confident	85	Confident	102 Å²	102	88.2 Å²	88.2	53%	0.534	48%	0.48	S	S	.	.	S	Bend	trans	-81.2	-27.3	174.5	-75.6	161.1	0	0	0	112.6	W549 T566 R567	W549-L584 HydrophobicContact CH2-CD2 3.79Å; W549-L584 HydrophobicContact CH2-CG 4.08Å; W549-L584 HydrophobicContact CZ3-CD2 3.61Å; W549-L584 HydrophobicContact CZ3-CG 4.35Å; T566-L584 CarbonylContact C-O 3.54Å; T566-L584 WeakPolarHBondContact CA-O 3.02Å; R567-L584 PolarHBondContact N-O 2.01Å; R567-L584 WeakPolarHBondContact O-CD2 2.91Å
585	T	90.1	Very high	85	Confident	85 Å²	85	92 Å²	92	52%	0.521	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.3	-172.6	53	0	0	0	0	108.7	R565 T566	R565-T585 WeakPolarHBondContact O-CA 3.45Å; T566-T585 HydrophobicContact CG2-CG2 4.02Å
586	S	90.1	Very high	85.4	Confident	23 Å²	23	95.7 Å²	95.7	16%	0.161	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.2	174.5	166.8	0	0	0	0	108.4	S564 R565	S564-S586 CarbonylContact C-O 3.58Å; S564-S586 VanDerWaalsContact CA-O 3.28Å; S564-S586 WeakPolarHBondContact CA-O 3.41Å; R565-S586 PolarHBondContact N-O 2.93Å; R565-S586 PolarHBondContact O-N 2.67Å
587	E	89.3	Confident	86.2	Confident	125 Å²	125	93.8 Å²	93.8	58%	0.584	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	142.7	174.4	-65.7	-170.5	175	0	0	109.9	K562 R563	K562-E587 IonicContact NZ-OE2 3.56Å; K562-E587 PolarHBondContact NZ-OE2 3.48Å; R563-E587 WeakPolarHBondContact O-CA 3.03Å
588	D	86.8	Confident	86.6	Confident	64 Å²	64	93 Å²	93	34%	0.342	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	157.1	174.3	-171.9	24.6	0	0	0	109.9	W555 K562 R563	W555-D588 HydrophobicContact CH2-CB 3.41Å; W555-D588 VanDerWaalsContact CH2-CB 3.41Å; W555-D588 HydrophobicContact CZ2-CB 4.04Å; W555-D588 HydrophobicContact CZ3-CB 3.76Å; K562-D588 WeakPolarHBondContact CA-O 3.45Å; R563-D588 HydrophobicContact CG-CB 4.23Å; R563-D588 WeakPolarHBondContact CG-O 2.99Å; R563-D588 IonicContact CZ-OD2 2.79Å; R563-D588 PolarHBondContact N-O 3.03Å; R563-D588 IonicContact NE-OD2 3.68Å; R563-D588 PolarHBondContact NE-OD2 2.03Å; R563-D588 IonicContact NH2-OD2 3.44Å; R563-D588 PolarHBondContact NH2-OD2 2.81Å; R563-D588 PolarHBondContact O-N 3.04Å
589	Y	86.4	Confident	86.8	Confident	183 Å²	183	99.8 Å²	99.8	72%	0.718	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	136.8	178	-66.9	-82.4	0	0	0	110.4	G561 K562	G561-Y589 WeakPolarHBondContact O-CD1 3.29Å; K562-Y589 HydrophobicContact CG-CD1 4.42Å; K562-Y589 HydrophobicContact CG-CE1 4.48Å
590	C	77.2	Confident	86.7	Confident	82 Å²	82	93.7 Å²	93.7	55%	0.554	49%	0.493	S	S	*	.			trans	-142.2	0	168.2	59.3	0	0	0	0	106.4	C558 G561 K562 R563	C558-C590 WeakPolarHBondContact CA-SG 3.14Å; C558-C590 HydrophobicContact CB-CB 3.95Å; C558-C590 WeakPolarHBondContact CB-SG 3.38Å; C558-C590 WeakPolarHBondContact SG-CB 3.41Å; C558-C590 PolarHBondContact SG-O 3.14Å; C558-C590 CovalentContact SG-SG 2.04Å; C558-C590 PolarHBondContact SG-SG 3.1Å; G561-C590 WeakPolarHBondContact CA-OXT 3.5Å; G561-C590 PolarHBondContact O-N 2.93Å; K562-C590 PolarHBondContact O-SG 3.22Å; R563-C590 HydrophobicContact CG-CB 4.12Å; R563-C590 PolarHBondContact N-SG 2.92Å; R563-C590 VanDerWaalsContact N-SG 3.43Å

Retrieved 590 of 590 residues in 233.5 ms (Link to these results)

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