A0A096MH23_POEFO Loading...

Adenosylhomocysteinase like 1

AlphaFold DB , UniProt , Accession A0A096MH23, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 550 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	33.7	Very low	29.8	Very low	234 Å²	234	144.5 Å²	144.5	100%	1.153	85%	0.849	S	S	*	*				0	87.6	0	-66.4	173.1	179.3	0	0	105.4
2	S	30.8	Very low	30	Very low	98 Å²	98	142.3 Å²	142.3	69%	0.685	84%	0.838	S	S	*	*				79.9	82.9	86.4	61.3	0	0	0	0	109.3
3	E	29.4	Very low	29.7	Very low	189 Å²	189	145.7 Å²	145.7	88%	0.883	84%	0.836	S	S	*	*				75.3	114.8	79.8	-75.6	-174.7	142.6	0	0	113.6
4	T	28.7	Very low	29.6	Very low	150 Å²	150	145.6 Å²	145.6	92%	0.92	83%	0.825	S	S	*	*			trans	-155	105.8	137.9	26.9	0	0	0	0	107
5	A	32	Very low	29.4	Very low	111 Å²	111	140.3 Å²	140.3	92%	0.917	81%	0.806	S	S	*	*			trans	-85.2	134.8	170.6	0	0	0	0	0	109.4
6	G	26.2	Very low	29.4	Very low	73 Å²	73	136.6 Å²	136.6	75%	0.753	79%	0.791	S	S	*	*			trans	-114.7	132.4	172.5	0	0	0	0	0	110.4
7	D	28.5	Very low	29.2	Very low	173 Å²	173	138.5 Å²	138.5	93%	0.925	79%	0.788	S	S	*	*			trans	-65.1	130.7	-171.8	-82.7	-63.7	0	0	0	114.3
8	A	28.7	Very low	29.4	Very low	93 Å²	93	138.6 Å²	138.6	77%	0.769	78%	0.78	S	S	*	*			trans	-105.9	80.9	177.6	0	0	0	0	0	112.1
9	K	29.5	Very low	29.7	Very low	176 Å²	176	136.1 Å²	136.1	77%	0.765	77%	0.768	S	S	*	*			trans	-172.1	140	160	-104	144.9	-169.2	171.5	0	109.1
10	P	30.3	Very low	29.9	Very low	112 Å²	112	138 Å²	138	73%	0.727	77%	0.767	S	S	*	*				-152.4	71.3	72	40.7	-19.9	0	0	0	116.6
11	E	30.4	Very low	30.1	Very low	180 Å²	180	139 Å²	139	84%	0.841	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-79.4	-13.5	177	-73.9	-176	131.1	0	0	115.3	K13	E11-K13 VanDerWaalsContact C-N 3.26Å; E11-K13 PolarHBondContact O-N 3.15Å
12	V	31.3	Very low	30.6	Very low	119 Å²	119	130.2 Å²	130.2	72%	0.721	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-81.6	5.5	-169.8	-165.4	0	0	0	0	113.9
13	K	26.7	Very low	31.4	Very low	186 Å²	186	128.9 Å²	128.9	81%	0.809	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-111.1	-0.6	-178.1	-84.8	-171.8	174.5	-179.6	0	115.8	E11	E11-K13 VanDerWaalsContact C-N 3.26Å; E11-K13 PolarHBondContact O-N 3.15Å
14	Q	27.8	Very low	32.5	Very low	145 Å²	145	126.3 Å²	126.3	68%	0.678	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-44.4	-177.1	-150	154.4	-16.6	0	0	112.2	S16 K17	Q14-S16 PolarHBondContact O-N 2.78Å; Q14-S16 VanDerWaalsContact O-N 3.12Å; Q14-K17 PolarHBondContact O-N 3.26Å
15	A	27.4	Very low	33.6	Very low	66 Å²	66	120.2 Å²	120.2	55%	0.545	67%	0.666	S	S	.	*	H	α-helix	trans	-58	-27.2	178	0	0	0	0	0	114.4	K17 V19	A15-K17 VanDerWaalsContact C-N 3.27Å; A15-K17 PolarHBondContact O-N 2.61Å; A15-V19 WeakPolarHBondContact O-CG2 3.16Å
16	S	28.4	Very low	34.5	Very low	80 Å²	80	115.4 Å²	115.4	56%	0.559	63%	0.626	S	S	*	*	H	α-helix	trans	-79.6	-3.3	178.3	51.7	0	0	0	0	114.5	Q14	Q14-S16 PolarHBondContact O-N 2.78Å; Q14-S16 VanDerWaalsContact O-N 3.12Å
17	K	27.3	Very low	35.9	Very low	170 Å²	170	114.8 Å²	114.8	74%	0.739	60%	0.604	S	S	*	*	H	α-helix	trans	-98.4	-42.4	174.8	-140.3	-176.9	-177.3	-167.2	0	112.2	Q14 A15 V19 K20	Q14-K17 PolarHBondContact O-N 3.26Å; A15-K17 VanDerWaalsContact C-N 3.27Å; A15-K17 PolarHBondContact O-N 2.61Å; K17-V19 VanDerWaalsContact C-N 3.28Å; K17-V19 PolarHBondContact O-N 3.13Å; K17-K20 PolarHBondContact O-N 3.08Å
18	E	32.5	Very low	37.6	Very low	140 Å²	140	111 Å²	111	65%	0.654	58%	0.579	S	S	*	*	H	α-helix	trans	-64.7	-29.1	-179.1	-63.4	178.6	141.1	0	0	113.1	K20 E21	E18-K20 VanDerWaalsContact C-N 3.28Å; E18-K20 PolarHBondContact O-N 3.1Å; E18-E21 PolarHBondContact O-N 3.38Å
19	V	35.4	Very low	38.8	Very low	90 Å²	90	107.1 Å²	107.1	55%	0.545	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-61.5	-33.6	176.6	172.8	0	0	0	0	112.5	A15 K17 E21 S22	A15-V19 WeakPolarHBondContact O-CG2 3.16Å; K17-V19 VanDerWaalsContact C-N 3.28Å; K17-V19 PolarHBondContact O-N 3.13Å; V19-E21 VanDerWaalsContact C-N 3.28Å; V19-E21 PolarHBondContact O-N 3.09Å; V19-S22 VanDerWaalsContact O-CB 3.3Å; V19-S22 WeakPolarHBondContact O-CB 3.42Å; V19-S22 PolarHBondContact O-N 3.12Å; V19-S22 VanDerWaalsContact O-N 3.14Å; V19-S22 PolarHBondContact O-OG 3.18Å
20	K	32.2	Very low	39.7	Very low	174 Å²	174	99.7 Å²	99.7	76%	0.757	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-74	-11	-174.1	-75.5	-163.4	169.5	-165.2	0	115.4	K17 E18	K17-K20 PolarHBondContact O-N 3.08Å; E18-K20 VanDerWaalsContact C-N 3.28Å; E18-K20 PolarHBondContact O-N 3.1Å
21	E	35.4	Very low	40.5	Very low	159 Å²	159	96.5 Å²	96.5	74%	0.743	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-104.5	-1	173.7	-66.3	178.1	159.6	0	0	111.8	E18 V19 E23	E18-E21 PolarHBondContact O-N 3.38Å; V19-E21 VanDerWaalsContact C-N 3.28Å; V19-E21 PolarHBondContact O-N 3.09Å; E21-E23 VanDerWaalsContact C-N 3.32Å; E21-E23 PolarHBondContact O-N 2.79Å
22	S	42.7	Very low	41.2	Very low	51 Å²	51	90.8 Å²	90.8	36%	0.357	47%	0.472	S	S	.	.	S	Bend	trans	-71.6	-24.3	-177.7	73	0	0	0	0	113.9	V19 R496	V19-S22 VanDerWaalsContact O-CB 3.3Å; V19-S22 WeakPolarHBondContact O-CB 3.42Å; V19-S22 PolarHBondContact O-N 3.12Å; V19-S22 VanDerWaalsContact O-N 3.14Å; V19-S22 PolarHBondContact O-OG 3.18Å; S22-R496 PolarHBondContact O-NH1 3.2Å; S22-R496 PolarHBondContact O-NH2 2.98Å
23	E	48.4	Very low	41.6	Very low	69 Å²	69	87.3 Å²	87.3	32%	0.322	45%	0.451	S	S	.	.			trans	-84.5	-31.1	-159.5	-86	169.2	145	0	0	115.5	E21 V25 A26 E27	E21-E23 VanDerWaalsContact C-N 3.32Å; E21-E23 PolarHBondContact O-N 2.79Å; E23-V25 PolarHBondContact O-N 2.88Å; E23-V25 VanDerWaalsContact O-N 3.13Å; E23-A26 PolarHBondContact O-N 2.9Å; E23-E27 HydrophobicContact CB-CG 3.74Å; E23-E27 HydrophobicContact CG-CG 4Å; E23-E27 WeakPolarHBondContact O-CB 3.38Å; E23-E27 WeakPolarHBondContact O-CG 3.35Å; E23-E27 PolarHBondContact O-N 2.72Å
24	N	51.7	Low	42	Very low	136 Å²	136	82 Å²	82	73%	0.727	43%	0.434	S	S	*	.	H	α-helix	trans	-53.3	-45.5	-156.6	-154.5	-1.7	0	0	0	116.5	K28	N24-K28 WeakPolarHBondContact O-CB 3.44Å; N24-K28 PolarHBondContact O-N 2.85Å
25	V	52.8	Low	42.1	Very low	21 Å²	21	79.8 Å²	79.8	13%	0.127	43%	0.434	C	S	.	.	H	α-helix	trans	-79.7	-45.7	-179.6	-178.3	0	0	0	0	112	E23 E27 K28 Y29 N491 M508	E23-V25 PolarHBondContact O-N 2.88Å; E23-V25 VanDerWaalsContact O-N 3.13Å; V25-E27 VanDerWaalsContact C-N 3.34Å; V25-E27 PolarHBondContact O-N 2.92Å; V25-K28 PolarHBondContact O-N 2.84Å; V25-Y29 HydrophobicContact CG1-CD2 4.18Å; V25-Y29 HydrophobicContact CG1-CE2 3.99Å; V25-Y29 WeakPolarHBondContact O-CD2 3.17Å; V25-Y29 PolarHBondContact O-N 2.91Å; V25-N491 HydrophobicContact CG2-CB 4.48Å; V25-M508 HydrophobicContact CG1-CE 4.01Å
26	A	50.4	Low	42.4	Very low	10 Å²	10	85.4 Å²	85.4	8%	0.083	45%	0.447	C	S	.	.	H	α-helix	trans	-67	-35.2	-178.6	0	0	0	0	0	112.2	E23 S30 K507 M508	E23-A26 PolarHBondContact O-N 2.9Å; A26-S30 WeakPolarHBondContact O-CB 3.48Å; A26-S30 PolarHBondContact O-N 2.66Å; A26-S30 VanDerWaalsContact O-N 3.11Å; A26-K507 HydrophobicContact CB-CB 4.42Å; A26-M508 HydrophobicContact CB-CE 4.07Å; A26-M508 HydrophobicContact CB-CG 4.32Å
27	E	56.6	Low	42.5	Very low	61 Å²	61	88.3 Å²	88.3	29%	0.285	46%	0.456	S	S	.	.	H	α-helix	trans	-70.8	-40.5	173.7	-69.3	-141.9	124.7	0	0	112.6	E23 V25 Y29 S30 A31 K507	E23-E27 HydrophobicContact CB-CG 3.74Å; E23-E27 HydrophobicContact CG-CG 4Å; E23-E27 WeakPolarHBondContact O-CB 3.38Å; E23-E27 WeakPolarHBondContact O-CG 3.35Å; E23-E27 PolarHBondContact O-N 2.72Å; V25-E27 VanDerWaalsContact C-N 3.34Å; V25-E27 PolarHBondContact O-N 2.92Å; E27-Y29 VanDerWaalsContact C-N 3.31Å; E27-Y29 PolarHBondContact O-N 2.69Å; E27-S30 PolarHBondContact O-N 3.01Å; E27-A31 WeakPolarHBondContact O-CB 3.16Å; E27-A31 PolarHBondContact O-N 3.01Å; E27-K507 IonicContact OE1-NZ 3.64Å; E27-K507 PolarHBondContact OE1-NZ 3.41Å
28	K	63.7	Low	42.5	Very low	93 Å²	93	84.8 Å²	84.8	40%	0.404	45%	0.452	S	S	.	.	H	α-helix	trans	-54.8	-45.8	179.4	-167.1	-170.2	-175.5	-152.7	0	112.3	N24 V25 M32 E160	N24-K28 WeakPolarHBondContact O-CB 3.44Å; N24-K28 PolarHBondContact O-N 2.85Å; V25-K28 PolarHBondContact O-N 2.84Å; K28-M32 WeakPolarHBondContact O-CG 3.46Å; K28-E160 WeakPolarHBondContact CE-OE1 3.25Å; K28-E160 WeakPolarHBondContact CE-OE2 3.44Å; K28-E160 IonicContact NZ-OE1 2.95Å; K28-E160 PolarHBondContact NZ-OE1 3.35Å; K28-E160 IonicContact NZ-OE2 3.31Å; K28-E160 PolarHBondContact NZ-OE2 3.15Å
29	Y	54.8	Low	42.4	Very low	12 Å²	12	86.9 Å²	86.9	5%	0.047	46%	0.462	C	S	.	.	H	α-helix	trans	-83.2	-26.2	179.7	-62.9	-61.9	0	0	0	114	V25 E27 M32 A157 E160 P162 I487 Y511	V25-Y29 HydrophobicContact CG1-CD2 4.18Å; V25-Y29 HydrophobicContact CG1-CE2 3.99Å; V25-Y29 WeakPolarHBondContact O-CD2 3.17Å; V25-Y29 PolarHBondContact O-N 2.91Å; E27-Y29 VanDerWaalsContact C-N 3.31Å; E27-Y29 PolarHBondContact O-N 2.69Å; Y29-M32 HydrophobicContact CD1-CE 4.27Å; Y29-M32 HydrophobicContact CD1-SD 4.24Å; Y29-M32 HydrophobicContact CE1-CE 4.29Å; Y29-A157 HydrophobicContact CE1-CB 4.11Å; Y29-E160 VanDerWaalsContact CE1-OE2 3.31Å; Y29-E160 WeakPolarHBondContact CE1-OE2 3.22Å; Y29-E160 PolarHBondContact OH-OE2 3.42Å; Y29-E160 VanDerWaalsContact OH-OE2 3.13Å; Y29-P162 WeakPolarHBondContact OH-CB 3.31Å; Y29-I487 HydrophobicContact CD2-CG2 4.46Å; Y29-I487 HydrophobicContact CE2-CG2 3.86Å; Y29-Y511 PolarHBondContact O-OH 3.29Å
30	S	48.1	Very low	41.9	Very low	20 Å²	20	90.7 Å²	90.7	14%	0.14	48%	0.478	C	S	.	.	H	α-helix	trans	-69.1	-48.7	172.7	176.6	0	0	0	0	111.9	A26 E27 M32 T33	A26-S30 WeakPolarHBondContact O-CB 3.48Å; A26-S30 PolarHBondContact O-N 2.66Å; A26-S30 VanDerWaalsContact O-N 3.11Å; E27-S30 PolarHBondContact O-N 3.01Å; S30-M32 VanDerWaalsContact C-N 3.25Å; S30-M32 PolarHBondContact O-N 3.34Å; S30-T33 WeakPolarHBondContact O-CB 3.5Å; S30-T33 PolarHBondContact O-N 3.15Å; S30-T33 PolarHBondContact O-OG1 3.29Å; S30-T33 VanDerWaalsContact O-OG1 3.1Å
31	A	46.8	Very low	41.6	Very low	45 Å²	45	90.1 Å²	90.1	37%	0.372	48%	0.483	S	S	.	.	H	α-helix	trans	-61.8	-28	-174.8	0	0	0	0	0	113.8	E27 T33 V34	E27-A31 WeakPolarHBondContact O-CB 3.16Å; E27-A31 PolarHBondContact O-N 3.01Å; A31-T33 PolarHBondContact O-N 2.78Å; A31-V34 PolarHBondContact O-N 3.04Å
32	M	45.2	Very low	41.1	Very low	59 Å²	59	91.6 Å²	91.6	29%	0.291	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-13.8	172.6	-70.4	-176.3	-176.9	0	0	114.2	K28 Y29 S30	K28-M32 WeakPolarHBondContact O-CG 3.46Å; Y29-M32 HydrophobicContact CD1-CE 4.27Å; Y29-M32 HydrophobicContact CD1-SD 4.24Å; Y29-M32 HydrophobicContact CE1-CE 4.29Å; S30-M32 VanDerWaalsContact C-N 3.25Å; S30-M32 PolarHBondContact O-N 3.34Å
33	T	38.3	Very low	40.3	Very low	47 Å²	47	92.9 Å²	92.9	29%	0.288	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-29.8	177.1	-49.1	0	0	0	0	112.7	S30 A31 R156	S30-T33 WeakPolarHBondContact O-CB 3.5Å; S30-T33 PolarHBondContact O-N 3.15Å; S30-T33 PolarHBondContact O-OG1 3.29Å; S30-T33 VanDerWaalsContact O-OG1 3.1Å; A31-T33 PolarHBondContact O-N 2.78Å; T33-R156 PolarHBondContact OG1-NH1 2.99Å
34	V	36.8	Very low	39.3	Very low	74 Å²	74	98.2 Å²	98.2	45%	0.448	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-77.7	-44.6	-175.7	-175.6	0	0	0	0	111.1	A31 K36	A31-V34 PolarHBondContact O-N 3.04Å; V34-K36 PolarHBondContact O-N 3.01Å
35	S	29.3	Very low	38.1	Very low	98 Å²	98	98 Å²	98	69%	0.685	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-73.8	20.2	-170.5	-48.8	0	0	0	0	116.3
36	K	33.8	Very low	36.8	Very low	185 Å²	185	102.4 Å²	102.4	80%	0.804	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-132.9	-10.5	177.1	-79.3	-162.7	172.4	-171.3	0	116.1	V34	V34-K36 PolarHBondContact O-N 3.01Å
37	N	29.6	Very low	35.6	Very low	141 Å²	141	107 Å²	107	75%	0.754	60%	0.6	S	S	*	*	S	Bend	trans	-96.4	1.2	179.3	-73.6	5.3	0	0	0	113.5
38	S	28.2	Very low	34.1	Very low	95 Å²	95	109.9 Å²	109.9	66%	0.664	62%	0.621	S	S	*	*	S	Bend	trans	-102	5.7	-168	60.5	0	0	0	0	116.2
39	E	30.1	Very low	32.3	Very low	184 Å²	184	114.4 Å²	114.4	86%	0.86	64%	0.641	S	S	*	*			trans	-121.5	52.4	-175.5	-68.2	-162.5	152.2	0	0	114.3
40	I	25.8	Very low	30.7	Very low	171 Å²	171	118.8 Å²	118.8	88%	0.877	67%	0.673	S	S	*	*			trans	-134	103.4	152.8	-55.2	-179.8	0	0	0	109.1
41	N	25.6	Very low	29.6	Very low	162 Å²	162	122.7 Å²	122.7	87%	0.866	70%	0.701	S	S	*	*			trans	-154.4	131.2	158.5	-149.1	-11.4	0	0	0	110.3
42	M	24.4	Very low	28.5	Very low	190 Å²	190	127.1 Å²	127.1	94%	0.936	72%	0.723	S	S	*	*			trans	-122	126.4	175.4	-92	-161.4	-96.1	0	0	109.6
43	G	25.5	Very low	27.8	Very low	77 Å²	77	129.5 Å²	129.5	79%	0.794	74%	0.743	S	S	*	*			trans	-173.9	121.1	176	0	0	0	0	0	111.1
44	E	28.7	Very low	27.1	Very low	182 Å²	182	132.9 Å²	132.9	85%	0.85	76%	0.764	S	S	*	*			trans	-88.6	-177.4	178.8	-50.4	-179.4	107.8	0	0	110.4
45	L	25.8	Very low	26.6	Very low	132 Å²	132	138.3 Å²	138.3	69%	0.691	78%	0.783	S	S	*	*			cis	-166.5	143.1	17.7	-146.7	158.1	0	0	0	110.4
46	S	25.7	Very low	26.4	Very low	112 Å²	112	143.4 Å²	143.4	78%	0.783	79%	0.793	S	S	*	*			trans	68.7	152.6	166.1	86.8	0	0	0	0	116.3
47	S	24.6	Very low	26	Very low	108 Å²	108	140.2 Å²	140.2	76%	0.755	79%	0.791	S	S	*	*			cis	-165.2	171.5	-2.4	82.7	0	0	0	0	108
48	V	26.4	Very low	25.8	Very low	121 Å²	121	140.5 Å²	140.5	73%	0.733	80%	0.798	S	S	*	*			cis	-167.4	174.6	-10.6	111	0	0	0	0	110.3
49	F	23.9	Very low	25.7	Very low	188 Å²	188	144.8 Å²	144.8	83%	0.825	81%	0.805	S	S	*	*			trans	80	106.6	163.4	-87.7	-51.6	0	0	0	123.8
50	S	22.6	Very low	25.5	Very low	103 Å²	103	146.1 Å²	146.1	72%	0.72	81%	0.808	S	S	*	*				110.7	127.8	122.3	76.3	0	0	0	0	122
51	S	24.3	Very low	25.3	Very low	103 Å²	103	146.3 Å²	146.3	72%	0.72	81%	0.805	S	S	*	*			trans	42.2	112.3	159.7	45.3	0	0	0	0	121
52	V	22.9	Very low	25.3	Very low	137 Å²	137	146 Å²	146	83%	0.83	80%	0.802	S	S	*	*				67.2	136.5	51.7	-178.1	0	0	0	0	112.8
53	P	31.7	Very low	25.2	Very low	109 Å²	109	145.5 Å²	145.5	71%	0.708	80%	0.797	S	S	*	*			cis	-119.4	-162.4	-0.5	44.5	-30.4	0	0	0	112.3
54	T	22.6	Very low	25.1	Very low	119 Å²	119	151.1 Å²	151.1	73%	0.73	80%	0.8	S	S	*	*			cis	-156.5	143.2	-6.3	-14.6	0	0	0	0	110.6
55	H	26.6	Very low	24.9	Very low	187 Å²	187	148.9 Å²	148.9	87%	0.866	80%	0.798	S	S	*	*				174.3	148	129.2	-106.4	-82.8	0	0	0	110.7
56	K	25.6	Very low	24.8	Very low	205 Å²	205	149.3 Å²	149.3	89%	0.891	80%	0.797	S	S	*	*			trans	-105	131.4	-179.4	-73	-178.1	177.3	177.3	0	112.2
57	P	25.9	Very low	24.7	Very low	118 Å²	118	152.7 Å²	152.7	77%	0.766	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-87.8	155.2	167.5	35.1	-33.5	0	0	0	112.2
58	V	25.4	Very low	24.8	Very low	147 Å²	147	155 Å²	155	89%	0.891	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-90.6	124.6	172.6	177.6	0	0	0	0	109.7
59	K	24.8	Very low	24.7	Very low	185 Å²	185	157.6 Å²	157.6	80%	0.804	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-83.5	140.8	173.8	-67.5	-176.2	176.8	-176.1	0	111
60	K	25.7	Very low	24.8	Very low	212 Å²	212	157.4 Å²	157.4	92%	0.922	80%	0.803	S	S	*	*			trans	-113	131.9	142.3	-81.6	-169.5	177.5	-174.8	0	107.7
61	Q	23.5	Very low	24.9	Very low	176 Å²	176	162.3 Å²	162.3	82%	0.822	81%	0.811	S	S	*	*			trans	-83.1	146.3	173.7	-77.6	167.2	-82.2	0	0	110.2
62	I	25.3	Very low	25	Very low	155 Å²	155	161.8 Å²	161.8	80%	0.795	81%	0.808	S	S	*	*			trans	-119.6	135.3	153.2	-68.9	166.2	0	0	0	105.3
63	Q	22.1	Very low	25.1	Very low	180 Å²	180	166.9 Å²	166.9	84%	0.841	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-83.3	139.3	178.3	-67.9	169.9	-80.6	0	0	109.8
64	F	23.3	Very low	25.2	Very low	194 Å²	194	171.7 Å²	171.7	85%	0.851	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-99.9	143.5	159	-75.6	-90.6	0	0	0	108.6
65	V	23.3	Very low	25.6	Very low	135 Å²	135	171.8 Å²	171.8	82%	0.818	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-94.8	125.3	168.9	177.5	0	0	0	0	107.2
66	E	24.5	Very low	25.7	Very low	142 Å²	142	168.8 Å²	168.8	66%	0.664	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-85.9	123.5	168.2	-68.7	-168.3	137.2	0	0	109.6	K68	E66-K68 VanDerWaalsContact OE1-CE 3.3Å; E66-K68 WeakPolarHBondContact OE1-CE 3.45Å; E66-K68 IonicContact OE1-NZ 2.65Å; E66-K68 PolarHBondContact OE1-NZ 3.43Å; E66-K68 WeakPolarHBondContact OE2-CE 3.27Å; E66-K68 IonicContact OE2-NZ 2.7Å; E66-K68 PolarHBondContact OE2-NZ 3.35Å
67	E	24.3	Very low	26	Very low	183 Å²	183	167.9 Å²	167.9	86%	0.855	82%	0.816	S	S	*	*			trans	-111.9	119.2	151	-72.7	-163.8	145.4	0	0	108.3
68	K	25.2	Very low	26.2	Very low	155 Å²	155	168.9 Å²	168.9	67%	0.674	82%	0.82	S	S	*	*			trans	-104.4	122.5	175.8	-75.8	168	174.8	144.7	0	108.5	E66	E66-K68 VanDerWaalsContact OE1-CE 3.3Å; E66-K68 WeakPolarHBondContact OE1-CE 3.45Å; E66-K68 IonicContact OE1-NZ 2.65Å; E66-K68 PolarHBondContact OE1-NZ 3.43Å; E66-K68 WeakPolarHBondContact OE2-CE 3.27Å; E66-K68 IonicContact OE2-NZ 2.7Å; E66-K68 PolarHBondContact OE2-NZ 3.35Å
69	Q	25.8	Very low	26.3	Very low	176 Å²	176	165.8 Å²	165.8	82%	0.822	82%	0.817	S	S	*	*			trans	-110.5	130.3	163.1	-71.6	-168	-3.7	0	0	109.6
70	E	25.5	Very low	26.7	Very low	185 Å²	185	169 Å²	169	86%	0.864	83%	0.825	S	S	*	*			trans	-82.5	118.6	-173.9	-60.1	-178.5	117.9	0	0	111.5
71	F	24.6	Very low	27	Very low	205 Å²	205	171.1 Å²	171.1	90%	0.899	83%	0.827	S	S	*	*			trans	-102.4	89.7	163.7	-97.8	-89.3	0	0	0	110.6
72	S	25.6	Very low	27.4	Very low	92 Å²	92	167.8 Å²	167.8	64%	0.643	82%	0.823	S	S	*	*			trans	-145.7	114.7	163.5	71	0	0	0	0	112.5
73	R	26.9	Very low	27.7	Very low	245 Å²	245	167.8 Å²	167.8	93%	0.925	82%	0.824	S	S	*	*			trans	170.5	99.9	151.1	-94.1	152.8	-160.7	-149	4.9	110.9
74	F	32.4	Very low	28.1	Very low	210 Å²	210	163.6 Å²	163.6	92%	0.921	81%	0.814	S	S	*	*			trans	-83.9	134.9	155.2	-84.3	-87	0	0	0	109.6
75	P	31.4	Very low	28.5	Very low	121 Å²	121	166.2 Å²	166.2	79%	0.786	82%	0.818	S	S	*	*			trans	-109.7	122.3	158.9	24.5	-8.5	0	0	0	110.8
76	T	29.7	Very low	28.8	Very low	123 Å²	123	165.2 Å²	165.2	76%	0.755	82%	0.817	S	S	*	*			trans	-96.3	137.4	168.4	54.2	0	0	0	0	110.3
77	K	30.6	Very low	29	Very low	187 Å²	187	165.6 Å²	165.6	81%	0.813	82%	0.822	S	S	*	*				158.7	128.1	126.9	-88.7	173.1	179.9	178.4	0	115.3
78	T	30.6	Very low	29.5	Very low	138 Å²	138	162.5 Å²	162.5	85%	0.847	82%	0.821	S	S	*	*			trans	38.5	122.5	139.1	63.6	0	0	0	0	121.6
79	G	27.3	Very low	29.8	Very low	82 Å²	82	163.4 Å²	163.4	85%	0.845	83%	0.828	S	S	*	*			trans	-163.4	110.3	155.5	0	0	0	0	0	113.2
80	R	34	Very low	30	Very low	253 Å²	253	160.2 Å²	160.2	96%	0.955	83%	0.825	S	S	*	*			trans	-85.3	125.9	168.5	-84.9	-176.2	173.1	176.1	-2	109.8
81	R	30.6	Very low	30.3	Very low	257 Å²	257	156 Å²	156	97%	0.97	82%	0.815	S	S	*	*			trans	-143.7	142	151.9	-86.9	-170.4	175.4	169.5	-1	110.4
82	S	31.9	Very low	30.8	Very low	105 Å²	105	152.1 Å²	152.1	73%	0.734	81%	0.809	S	S	*	*			trans	-112.1	145.2	170.3	45.3	0	0	0	0	109.2
83	L	31.6	Very low	30.8	Very low	156 Å²	156	154 Å²	154	82%	0.817	81%	0.812	S	S	*	*				172.6	130.5	123	-92.4	166.7	0	0	0	113.4
84	S	30.7	Very low	30.9	Very low	91 Å²	91	147.4 Å²	147.4	64%	0.636	80%	0.803	S	S	*	*			trans	26.1	126.4	146.5	60.8	0	0	0	0	123.3
85	R	32.3	Very low	30.6	Very low	249 Å²	249	147.3 Å²	147.3	94%	0.94	80%	0.798	S	S	*	*			trans	53.4	116.3	132.9	-64.1	-178.9	175.5	179.7	-1.8	120
86	S	29	Very low	30.5	Very low	114 Å²	114	146.8 Å²	146.8	80%	0.797	80%	0.797	S	S	*	*				-156.5	133.2	127.8	44.4	0	0	0	0	113.4
87	I	29.4	Very low	30.6	Very low	151 Å²	151	145.8 Å²	145.8	77%	0.774	80%	0.795	S	S	*	*			trans	26.6	116.2	147.1	-60.4	159.2	0	0	0	118.3	Q89	I87-Q89 HydrophobicContact CG2-CG 4.45Å
88	S	34.6	Very low	30.5	Very low	118 Å²	118	141.1 Å²	141.1	83%	0.825	79%	0.792	S	S	*	*			trans	-69	121.9	156.3	51.4	0	0	0	0	111.1
89	Q	30.3	Very low	30.5	Very low	174 Å²	174	137.5 Å²	137.5	81%	0.813	78%	0.776	S	S	*	*			trans	-93	126.7	160.1	-73.3	-170.1	-17.1	0	0	109.4	I87 S91	I87-Q89 HydrophobicContact CG2-CG 4.45Å; Q89-S91 PolarHBondContact O-N 3.2Å
90	S	30.9	Very low	30.8	Very low	108 Å²	108	139 Å²	139	76%	0.755	77%	0.773	S	S	*	*			trans	-89	95.3	171.6	52.9	0	0	0	0	109.4	T92	S90-T92 PolarHBondContact O-N 3.24Å
91	S	31	Very low	30.8	Very low	96 Å²	96	136.3 Å²	136.3	67%	0.671	76%	0.764	S	S	*	*			trans	-66.1	114.7	173.4	-57.3	0	0	0	0	110.3	Q89 D93	Q89-S91 PolarHBondContact O-N 3.2Å; S91-D93 PolarHBondContact O-N 3.4Å; S91-D93 VanDerWaalsContact O-N 3.15Å
92	T	35.7	Very low	31.4	Very low	125 Å²	125	128.8 Å²	128.8	77%	0.767	75%	0.747	S	S	*	*			trans	-87.7	58.2	177	50.7	0	0	0	0	111.3	S90 S94	S90-T92 PolarHBondContact O-N 3.24Å; T92-S94 VanDerWaalsContact C-N 3.27Å; T92-S94 PolarHBondContact O-N 3.07Å
93	D	26.4	Very low	31.6	Very low	132 Å²	132	131.4 Å²	131.4	71%	0.706	75%	0.753	S	S	*	*			trans	-82.5	73.7	175	-70.8	-55.6	0	0	0	110.3	S91 Y95	S91-D93 PolarHBondContact O-N 3.4Å; S91-D93 VanDerWaalsContact O-N 3.15Å; D93-Y95 PolarHBondContact O-N 3.35Å
94	S	28.5	Very low	31.9	Very low	105 Å²	105	128.6 Å²	128.6	73%	0.734	75%	0.747	S	S	*	*			trans	-72.3	68.8	177	-64.5	0	0	0	0	112.2	T92 S96	T92-S94 VanDerWaalsContact C-N 3.27Å; T92-S94 PolarHBondContact O-N 3.07Å; S94-S96 VanDerWaalsContact C-N 3.29Å; S94-S96 PolarHBondContact O-N 3.11Å
95	Y	27.1	Very low	32.3	Very low	208 Å²	208	129 Å²	129	82%	0.816	75%	0.749	S	S	*	*			trans	-67.3	94	157.3	-92.9	-85.6	0	0	0	108.7	D93 S97	D93-Y95 PolarHBondContact O-N 3.35Å; Y95-S97 PolarHBondContact O-N 2.83Å
96	S	29.1	Very low	32.9	Very low	110 Å²	110	124.1 Å²	124.1	77%	0.769	74%	0.742	S	S	*	*			trans	-66.5	77.4	173.1	-64.3	0	0	0	0	110.4	S94 A98	S94-S96 VanDerWaalsContact C-N 3.29Å; S94-S96 PolarHBondContact O-N 3.11Å; S96-A98 PolarHBondContact O-N 2.84Å
97	S	30.3	Very low	33.9	Very low	103 Å²	103	122.1 Å²	122.1	72%	0.72	72%	0.722	S	S	*	*			trans	-70.2	66.9	172.6	-64.1	0	0	0	0	110.4	Y95 A99	Y95-S97 PolarHBondContact O-N 2.83Å; S97-A99 PolarHBondContact O-N 2.64Å
98	A	30.4	Very low	35.2	Very low	89 Å²	89	123.4 Å²	123.4	74%	0.736	73%	0.725	S	S	*	*			trans	-68.1	72.8	165.3	0	0	0	0	0	108.4	S96 S100	S96-A98 PolarHBondContact O-N 2.84Å; A98-S100 PolarHBondContact O-N 2.9Å
99	A	28.7	Very low	37	Very low	62 Å²	62	120.1 Å²	120.1	51%	0.512	70%	0.702	S	S	.	*			trans	-76.4	54.2	-172.8	0	0	0	0	0	111.9	S97 Y101	S97-A99 PolarHBondContact O-N 2.64Å; A99-Y101 HydrophobicContact CB-CD2 3.74Å; A99-Y101 HydrophobicContact CB-CE2 3.59Å; A99-Y101 PolarHBondContact O-N 2.82Å
100	S	35	Very low	39.6	Very low	113 Å²	113	113.3 Å²	113.3	79%	0.79	67%	0.674	S	S	*	*			trans	-73.4	66	171.1	59.1	0	0	0	0	110.1	A98 T102	A98-S100 PolarHBondContact O-N 2.9Å; S100-T102 PolarHBondContact O-N 2.89Å
101	Y	34.1	Very low	42.5	Very low	196 Å²	196	108.4 Å²	108.4	77%	0.769	64%	0.639	S	S	*	*			trans	-78.3	115.1	-178.6	-73.1	-64.4	0	0	0	111.1	A99	A99-Y101 HydrophobicContact CB-CD2 3.74Å; A99-Y101 HydrophobicContact CB-CE2 3.59Å; A99-Y101 PolarHBondContact O-N 2.82Å
102	T	42	Very low	45.3	Very low	99 Å²	99	108.5 Å²	108.5	61%	0.607	63%	0.625	S	S	*	*			trans	55.4	57.2	164.7	60.4	0	0	0	0	116.5	S100	S100-T102 PolarHBondContact O-N 2.89Å
103	D	36.5	Very low	47.9	Very low	160 Å²	160	108.2 Å²	108.2	86%	0.856	62%	0.619	S	S	*	*			trans	-100.3	98.9	139.1	-155.9	10	0	0	0	106.7
104	S	38	Very low	50.8	Low	98 Å²	98	104.9 Å²	104.9	69%	0.685	60%	0.598	S	S	*	*			trans	-129.3	108	-166.4	-169.9	0	0	0	0	110.4
105	S	39.6	Very low	53.7	Low	98 Å²	98	106 Å²	106	69%	0.685	60%	0.6	S	S	*	*			trans	61.2	122.3	-175.7	57.5	0	0	0	0	116.4	D107	S105-D107 PolarHBondContact O-N 2.92Å
106	D	44.3	Very low	57	Low	147 Å²	147	97.7 Å²	97.7	79%	0.786	57%	0.569	S	S	*	*			trans	-62.3	82.5	164.3	-59.7	-76.8	0	0	0	110.6	E108	D106-E108 HydrophobicContact CB-CG 4.48Å; D106-E108 PolarHBondContact O-N 2.83Å
107	D	49.3	Very low	60.2	Low	73 Å²	73	96.2 Å²	96.2	39%	0.39	56%	0.555	S	S	.	*			trans	-80.7	76.9	173.4	-163.8	7.7	0	0	0	108.8	S105 S109 K114 K128	S105-D107 PolarHBondContact O-N 2.92Å; D107-S109 PolarHBondContact O-N 2.82Å; D107-K114 IonicContact OD1-NZ 3.87Å; D107-K114 PolarHBondContact OD1-NZ 2.86Å; D107-K114 IonicContact OD2-NZ 3.64Å; D107-K114 PolarHBondContact OD2-NZ 2.84Å; D107-K128 PolarHBondContact O-NZ 3.06Å
108	E	58	Low	63.4	Low	177 Å²	177	91.8 Å²	91.8	83%	0.827	52%	0.523	S	S	*	.			trans	-54.9	-4.9	-172.6	-77.7	-82.9	-160.6	0	0	116.4	D106	D106-E108 HydrophobicContact CB-CG 4.48Å; D106-E108 PolarHBondContact O-N 2.83Å
109	S	72.8	Confident	66.5	Low	50 Å²	50	92.2 Å²	92.2	35%	0.35	52%	0.521	S	S	.	.	S	Bend	trans	-100.7	136.4	176.1	30.5	0	0	0	0	111	D107 K114	D107-S109 PolarHBondContact O-N 2.82Å; S109-K114 PolarHBondContact O-NZ 2.77Å; S109-K114 VanDerWaalsContact O-NZ 3.15Å; S109-K114 WeakPolarHBondContact OG-CE 3.49Å; S109-K114 PolarHBondContact OG-NZ 3.06Å
110	S	85.2	Confident	69.6	Low	31 Å²	31	96 Å²	96	22%	0.217	53%	0.526	C	S	.	.			trans	-60.3	145.8	-175	-177.2	0	0	0	0	110.5	R112 D113	S110-R112 PolarHBondContact O-N 3.22Å; S110-R112 PolarHBondContact OG-N 3.05Å; S110-D113 WeakPolarHBondContact CB-OD2 3.47Å; S110-D113 PolarHBondContact N-OD2 2.84Å; S110-D113 WeakPolarHBondContact O-CB 3.49Å; S110-D113 PolarHBondContact O-N 2.98Å
111	P	90.7	Very high	72.5	Confident	5 Å²	5	93.3 Å²	93.3	3%	0.032	52%	0.516	C	S	.	.	G	3₁₀ helix	trans	-53.6	-25.8	170.6	-29.6	40.2	0	0	0	113.3	D113 K114 C126 K128 W220	P111-D113 VanDerWaalsContact C-N 3.27Å; P111-D113 PolarHBondContact O-N 2.97Å; P111-K114 PolarHBondContact O-N 3.41Å; P111-C126 VanDerWaalsContact C-SG 3.59Å; P111-K128 HydrophobicContact CG-CB 4.45Å; P111-K128 HydrophobicContact CG-CD 3.88Å; P111-W220 HydrophobicContact CB-CD2 4.05Å; P111-W220 HydrophobicContact CB-CE3 3.97Å; P111-W220 HydrophobicContact CB-CZ3 4.29Å; P111-W220 HydrophobicContact CG-CB 4.41Å; P111-W220 HydrophobicContact CG-CD2 3.64Å; P111-W220 HydrophobicContact CG-CE3 4.09Å; P111-W220 HydrophobicContact CG-CG 3.78Å; P111-W220 HydrophobicContact CG-CZ2 4.4Å
112	R	90.7	Very high	75.4	Confident	97 Å²	97	86.3 Å²	86.3	37%	0.366	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-62.8	-28.7	174.4	-67.9	166.7	61.4	174.7	-1	113.9	S110 K114 W220 D227 W230	S110-R112 PolarHBondContact O-N 3.22Å; S110-R112 PolarHBondContact OG-N 3.05Å; R112-K114 VanDerWaalsContact C-N 3.26Å; R112-W220 HydrophobicContact CG-CH2 3.63Å; R112-W220 HydrophobicContact CG-CZ2 4.3Å; R112-W220 HydrophobicContact CG-CZ3 4.42Å; R112-D227 WeakPolarHBondContact CD-OD1 3.42Å; R112-D227 IonicContact CZ-OD1 2.9Å; R112-D227 IonicContact NE-OD1 3.84Å; R112-D227 IonicContact NH1-OD1 2.69Å; R112-D227 PolarHBondContact NH1-OD1 2.82Å; R112-W230 HydrophobicContact CG-CD2 4.35Å; R112-W230 HydrophobicContact CG-CE3 3.99Å; R112-W230 HydrophobicContact CG-CH2 3.85Å; R112-W230 HydrophobicContact CG-CZ2 4.19Å; R112-W230 HydrophobicContact CG-CZ3 3.74Å
113	D	89.1	Confident	77.9	Confident	120 Å²	120	84.7 Å²	84.7	64%	0.642	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-83.9	-5.6	-178.7	-51.7	-44.1	0	0	0	112	S110 P111	S110-D113 WeakPolarHBondContact CB-OD2 3.47Å; S110-D113 PolarHBondContact N-OD2 2.84Å; S110-D113 WeakPolarHBondContact O-CB 3.49Å; S110-D113 PolarHBondContact O-N 2.98Å; P111-D113 VanDerWaalsContact C-N 3.27Å; P111-D113 PolarHBondContact O-N 2.97Å
114	K	88.7	Confident	80.8	Confident	61 Å²	61	80.3 Å²	80.3	27%	0.265	47%	0.466	S	S	.	.	S	Bend	trans	-123.2	91.8	-171.4	-71.2	167.1	-177.5	155.2	0	111.5	D107 S109 P111 R112 Q116	D107-K114 IonicContact OD1-NZ 3.87Å; D107-K114 PolarHBondContact OD1-NZ 2.86Å; D107-K114 IonicContact OD2-NZ 3.64Å; D107-K114 PolarHBondContact OD2-NZ 2.84Å; S109-K114 PolarHBondContact O-NZ 2.77Å; S109-K114 VanDerWaalsContact O-NZ 3.15Å; S109-K114 WeakPolarHBondContact OG-CE 3.49Å; S109-K114 PolarHBondContact OG-NZ 3.06Å; P111-K114 PolarHBondContact O-N 3.41Å; R112-K114 VanDerWaalsContact C-N 3.26Å; K114-Q116 PolarHBondContact O-N 3.29Å
115	T	89.3	Confident	83.6	Confident	128 Å²	128	76.4 Å²	76.4	79%	0.785	44%	0.436	S	S	*	.			trans	-56.4	109.9	167.8	-51.5	0	0	0	0	110.1
116	Q	95.5	Very high	86.4	Confident	34 Å²	34	72.1 Å²	72.1	16%	0.159	41%	0.406	C	S	.	.			trans	-105.5	158.6	175	-73.9	166.5	84.7	0	0	109.9	K114 S123 F125 V127 I130	K114-Q116 PolarHBondContact O-N 3.29Å; Q116-S123 WeakPolarHBondContact O-CA 3.13Å; Q116-S123 WeakPolarHBondContact O-CB 3.32Å; Q116-F125 HydrophobicContact CB-CE2 3.75Å; Q116-F125 HydrophobicContact CB-CZ 4.12Å; Q116-V127 PolarHBondContact NE2-O 3Å; Q116-I130 HydrophobicContact CB-CG2 4.21Å; Q116-I130 HydrophobicContact CG-CG2 4.33Å
117	V	96.5	Very high	88.9	Confident	80 Å²	80	65.1 Å²	65.1	49%	0.485	37%	0.369	S	S	.	.			trans	-138	134.2	-176.8	-169.5	0	0	0	0	108.6	S122	V117-S122 WeakPolarHBondContact CA-O 3.27Å
118	N	96.3	Very high	91.1	Very high	9 Å²	9	65 Å²	65	5%	0.048	36%	0.364	C	S	.	.			trans	-83	172.5	174.5	65.7	17.9	0	0	0	112.1	K120 G121 S122 F125 A211 E212	N118-K120 PolarHBondContact O-N 3.29Å; N118-K120 WeakPolarHBondContact OD1-CB 3.28Å; N118-K120 PolarHBondContact OD1-N 2.87Å; N118-G121 PolarHBondContact O-N 3.1Å; N118-G121 PolarHBondContact OD1-N 3.2Å; N118-S122 PolarHBondContact N-O 3.33Å; N118-S122 PolarHBondContact OD1-N 3.15Å; N118-S122 PolarHBondContact OD1-O 3.29Å; N118-F125 HydrophobicContact CB-CE1 3.92Å; N118-F125 HydrophobicContact CB-CZ 4.29Å; N118-A211 PolarHBondContact ND2-O 3.16Å; N118-E212 WeakPolarHBondContact CA-OE2 3.47Å; N118-E212 VanDerWaalsContact CB-OE2 3.29Å; N118-E212 WeakPolarHBondContact CB-OE2 3.43Å
119	S	95.6	Very high	92.9	Very high	99 Å²	99	59.4 Å²	59.4	69%	0.692	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-17.2	-178.9	72.6	0	0	0	0	114.7	E212	S119-E212 WeakPolarHBondContact CB-OE1 3.38Å; S119-E212 PolarHBondContact N-OE1 3.01Å; S119-E212 PolarHBondContact N-OE2 2.77Å; S119-E212 PolarHBondContact OG-OE1 3.31Å
120	K	95.4	Very high	94	Very high	140 Å²	140	57.9 Å²	57.9	61%	0.609	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	1.4	-179.7	-54.3	174.9	-170.5	176.8	0	113.4	N118 R213	N118-K120 PolarHBondContact O-N 3.29Å; N118-K120 WeakPolarHBondContact OD1-CB 3.28Å; N118-K120 PolarHBondContact OD1-N 2.87Å; K120-R213 PolarHBondContact NZ-O 3.19Å
121	G	94.7	Very high	94.6	Very high	57 Å²	57	64.9 Å²	64.9	59%	0.588	36%	0.355	S	S	*	.	S	Bend	trans	81	10	179.6	0	0	0	0	0	115.2	N118	N118-G121 PolarHBondContact O-N 3.1Å; N118-G121 PolarHBondContact OD1-N 3.2Å
122	S	94.9	Very high	94.8	Very high	49 Å²	49	67.1 Å²	67.1	34%	0.343	37%	0.365	S	S	.	.			trans	-88.9	145.7	175.4	-174.9	0	0	0	0	111.6	V117 N118 D124 F125	V117-S122 WeakPolarHBondContact CA-O 3.27Å; N118-S122 PolarHBondContact N-O 3.33Å; N118-S122 PolarHBondContact OD1-N 3.15Å; N118-S122 PolarHBondContact OD1-O 3.29Å; S122-D124 PolarHBondContact OG-N 2.97Å; S122-F125 VanDerWaalsContact O-CE1 3.29Å; S122-F125 WeakPolarHBondContact O-CE1 3.2Å
123	S	95.5	Very high	95.1	Very high	66 Å²	66	64 Å²	64	46%	0.462	36%	0.356	S	S	.	.			trans	-124	15.7	172.9	55.1	0	0	0	0	112.9	Q116 F125	Q116-S123 WeakPolarHBondContact O-CA 3.13Å; Q116-S123 WeakPolarHBondContact O-CB 3.32Å; S123-F125 PolarHBondContact O-N 3.1Å
124	D	96.1	Very high	95.5	Very high	68 Å²	68	65.5 Å²	65.5	36%	0.364	36%	0.36	S	S	.	.			trans	-79.2	57.8	177.7	-176.1	27.7	0	0	0	111.7	S122 R193 A216	S122-D124 PolarHBondContact OG-N 2.97Å; D124-R193 IonicContact OD1-CZ 2.67Å; D124-R193 IonicContact OD1-NH1 3.82Å; D124-R193 PolarHBondContact OD1-NH1 3.38Å; D124-R193 IonicContact OD1-NH2 3.67Å; D124-R193 PolarHBondContact OD1-NH2 2.71Å; D124-R193 IonicContact OD2-CZ 2.86Å; D124-R193 IonicContact OD2-NH1 3.26Å; D124-R193 PolarHBondContact OD2-NH1 2.91Å; D124-R193 IonicContact OD2-NH2 2.71Å; D124-A216 VanDerWaalsContact O-CA 3.24Å; D124-A216 WeakPolarHBondContact O-CA 3.19Å; D124-A216 WeakPolarHBondContact O-CB 3.31Å
125	F	97.3	Very high	95.8	Very high	16 Å²	16	66.8 Å²	66.8	7%	0.07	37%	0.365	C	S	.	.			trans	-161.5	166.3	176	60.4	-97.8	0	0	0	110.6	Q116 N118 S122 S123 V127 I130 A211 V217	Q116-F125 HydrophobicContact CB-CE2 3.75Å; Q116-F125 HydrophobicContact CB-CZ 4.12Å; N118-F125 HydrophobicContact CB-CE1 3.92Å; N118-F125 HydrophobicContact CB-CZ 4.29Å; S122-F125 VanDerWaalsContact O-CE1 3.29Å; S122-F125 WeakPolarHBondContact O-CE1 3.2Å; S123-F125 PolarHBondContact O-N 3.1Å; F125-V127 HydrophobicContact CD2-CG1 4.42Å; F125-V127 HydrophobicContact CD2-CG2 3.97Å; F125-V127 HydrophobicContact CE2-CG2 4.07Å; F125-I130 HydrophobicContact CE2-CB 4.27Å; F125-I130 HydrophobicContact CE2-CD1 3.93Å; F125-I130 HydrophobicContact CE2-CG1 4.22Å; F125-I130 HydrophobicContact CZ-CB 4.44Å; F125-I130 HydrophobicContact CZ-CD1 3.82Å; F125-I130 HydrophobicContact CZ-CG1 3.98Å; F125-A211 HydrophobicContact CB-CB 3.98Å; F125-A211 HydrophobicContact CD1-CB 3.96Å; F125-A211 HydrophobicContact CD2-CB 3.76Å; F125-A211 HydrophobicContact CE1-CB 4.33Å; F125-A211 HydrophobicContact CE2-CB 4.16Å; F125-A211 HydrophobicContact CG-CB 3.64Å; F125-A211 HydrophobicContact CZ-CB 4.43Å; F125-V217 CarbonylContact C-O 3.54Å; F125-V217 WeakPolarHBondContact CA-O 3.3Å; F125-V217 VanDerWaalsContact CB-O 3.29Å; F125-V217 WeakPolarHBondContact CB-O 3.29Å
126	C	97.8	Very high	96.2	Very high	7 Å²	7	60.7 Å²	60.7	5%	0.047	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-144.7	110.4	170.4	-169.4	0	0	0	0	109.7	P111 V217 F218 A219 W220 W230	P111-C126 VanDerWaalsContact C-SG 3.59Å; C126-V217 PolarHBondContact N-O 3.12Å; C126-F218 HydrophobicContact CB-CD1 3.57Å; C126-F218 HydrophobicContact CB-CE1 4.14Å; C126-F218 HydrophobicContact CB-CG 4.41Å; C126-F218 WeakPolarHBondContact O-CA 3.37Å; C126-A219 PolarHBondContact O-N 3Å; C126-W220 HydrophobicContact CB-CZ3 4.24Å; C126-W220 WeakPolarHBondContact SG-CZ3 3.34Å; C126-W230 HydrophobicContact CB-CH2 4.06Å; C126-W230 HydrophobicContact CB-CZ3 3.89Å
127	V	97.2	Very high	96.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.326	C	S	.	.			trans	-140.8	155.1	-175.1	-57.5	0	0	0	0	110.2	Q116 F125 N129 A207 A208 A211 V217 A219	Q116-V127 PolarHBondContact NE2-O 3Å; F125-V127 HydrophobicContact CD2-CG1 4.42Å; F125-V127 HydrophobicContact CD2-CG2 3.97Å; F125-V127 HydrophobicContact CE2-CG2 4.07Å; V127-N129 PolarHBondContact O-N 3.49Å; V127-A207 HydrophobicContact CB-CB 4.34Å; V127-A207 HydrophobicContact CG1-CB 3.85Å; V127-A208 HydrophobicContact CG2-CB 4.5Å; V127-A211 HydrophobicContact CG1-CB 4.25Å; V127-V217 HydrophobicContact CG1-CB 4.46Å; V127-V217 HydrophobicContact CG1-CG1 4.32Å; V127-A219 WeakPolarHBondContact CA-O 3.4Å
128	K	95.8	Very high	96.4	Very high	70 Å²	70	63 Å²	63	30%	0.304	33%	0.327	S	S	.	.	S	Bend	trans	-58.5	-42.1	-173.8	-174.4	62.8	174.9	-179.8	0	113.5	D107 P111 N204 W220	D107-K128 PolarHBondContact O-NZ 3.06Å; P111-K128 HydrophobicContact CG-CB 4.45Å; P111-K128 HydrophobicContact CG-CD 3.88Å; K128-N204 HydrophobicContact CB-CB 4.26Å; K128-W220 HydrophobicContact CB-CB 3.96Å
129	N	95.7	Very high	96.4	Very high	61 Å²	61	65.5 Å²	65.5	33%	0.326	34%	0.338	S	S	.	.			trans	-159.8	105.9	177.7	-176	-3.5	0	0	0	112.7	V127 K131 Q132 A208	V127-N129 PolarHBondContact O-N 3.49Å; N129-K131 PolarHBondContact O-N 2.85Å; N129-K131 VanDerWaalsContact OD1-CB 3.28Å; N129-K131 WeakPolarHBondContact OD1-CB 3.44Å; N129-K131 WeakPolarHBondContact OD1-CG 3.33Å; N129-K131 PolarHBondContact OD1-N 2.6Å; N129-Q132 HydrophobicContact CB-CG 4.24Å; N129-Q132 PolarHBondContact O-N 3.22Å; N129-Q132 VanDerWaalsContact O-N 3.11Å; N129-A208 WeakPolarHBondContact O-CB 3.47Å
130	I	96.6	Very high	96.5	Very high	17 Å²	17	60.9 Å²	60.9	9%	0.087	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-55.8	-26.3	179.2	-168.8	59.8	0	0	0	113.6	Q116 F125 Q132 T133 A208 A211 E212	Q116-I130 HydrophobicContact CB-CG2 4.21Å; Q116-I130 HydrophobicContact CG-CG2 4.33Å; F125-I130 HydrophobicContact CE2-CB 4.27Å; F125-I130 HydrophobicContact CE2-CD1 3.93Å; F125-I130 HydrophobicContact CE2-CG1 4.22Å; F125-I130 HydrophobicContact CZ-CB 4.44Å; F125-I130 HydrophobicContact CZ-CD1 3.82Å; F125-I130 HydrophobicContact CZ-CG1 3.98Å; I130-Q132 PolarHBondContact O-N 3.44Å; I130-T133 WeakPolarHBondContact O-CB 3.49Å; I130-T133 WeakPolarHBondContact O-CG2 3.34Å; I130-T133 PolarHBondContact O-N 2.71Å; I130-A208 WeakPolarHBondContact CD1-O 3.26Å; I130-A211 HydrophobicContact CD1-CB 3.76Å; I130-E212 HydrophobicContact CD1-CB 4.15Å
131	K	96.4	Very high	96.6	Very high	178 Å²	178	58.4 Å²	58.4	77%	0.774	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-68.7	-12.5	-179.6	-56.9	177.6	-178.8	175.2	0	113.6	N129 T133	N129-K131 PolarHBondContact O-N 2.85Å; N129-K131 VanDerWaalsContact OD1-CB 3.28Å; N129-K131 WeakPolarHBondContact OD1-CB 3.44Å; N129-K131 WeakPolarHBondContact OD1-CG 3.33Å; N129-K131 PolarHBondContact OD1-N 2.6Å; K131-T133 PolarHBondContact O-N 2.88Å
132	Q	95.6	Very high	96.6	Very high	53 Å²	53	60.1 Å²	60.1	25%	0.248	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-78.3	-1.1	175.8	-66.1	179.7	-39.2	0	0	113.6	N129 I130 E134 F135 G136 E205 A208	N129-Q132 HydrophobicContact CB-CG 4.24Å; N129-Q132 PolarHBondContact O-N 3.22Å; N129-Q132 VanDerWaalsContact O-N 3.11Å; I130-Q132 PolarHBondContact O-N 3.44Å; Q132-E134 VanDerWaalsContact C-N 3.33Å; Q132-E134 PolarHBondContact O-N 3.01Å; Q132-F135 PolarHBondContact O-N 3.02Å; Q132-G136 PolarHBondContact O-N 3.05Å; Q132-G136 VanDerWaalsContact O-N 3.1Å; Q132-E205 HydrophobicContact CB-CB 3.96Å; Q132-A208 HydrophobicContact CB-CB 4.3Å
133	T	96.9	Very high	96.7	Very high	30 Å²	30	57.9 Å²	57.9	18%	0.184	28%	0.275	C	S	.	.	H	α-helix	trans	-49	-43	-178.8	-179.9	0	0	0	0	114.8	I130 K131 F135 G136 R137 E212	I130-T133 WeakPolarHBondContact O-CB 3.49Å; I130-T133 WeakPolarHBondContact O-CG2 3.34Å; I130-T133 PolarHBondContact O-N 2.71Å; K131-T133 PolarHBondContact O-N 2.88Å; T133-F135 VanDerWaalsContact C-N 3.26Å; T133-F135 PolarHBondContact O-N 3.23Å; T133-G136 PolarHBondContact O-N 2.93Å; T133-R137 VanDerWaalsContact O-CB 3.27Å; T133-R137 WeakPolarHBondContact O-CB 3.32Å; T133-R137 PolarHBondContact O-N 3.32Å; T133-E212 HydrophobicContact CG2-CB 4.41Å; T133-E212 HydrophobicContact CG2-CG 4.15Å; T133-E212 VanDerWaalsContact OG1-CB 3.28Å; T133-E212 WeakPolarHBondContact OG1-CB 3.5Å; T133-E212 WeakPolarHBondContact OG1-CG 3.41Å
134	E	97.3	Very high	96.7	Very high	153 Å²	153	56.7 Å²	56.7	72%	0.715	26%	0.262	S	S	*	.	H	α-helix	trans	-68	-22.9	179	-67.1	-171.9	169.8	0	0	113.8	Q132 R138	Q132-E134 VanDerWaalsContact C-N 3.33Å; Q132-E134 PolarHBondContact O-N 3.01Å; E134-R138 PolarHBondContact O-NE 3.38Å; E134-R138 PolarHBondContact O-NH2 3.41Å
135	F	96.6	Very high	96.5	Very high	87 Å²	87	60.2 Å²	60.2	38%	0.382	28%	0.277	S	S	.	.	H	α-helix	trans	-82.6	-50.3	174	-177.3	-124.6	0	0	0	110.1	Q132 T133 R137 R138 E139 E205	Q132-F135 PolarHBondContact O-N 3.02Å; T133-F135 VanDerWaalsContact C-N 3.26Å; T133-F135 PolarHBondContact O-N 3.23Å; F135-R137 VanDerWaalsContact C-N 3.25Å; F135-R137 PolarHBondContact O-N 3.29Å; F135-R138 WeakPolarHBondContact O-CB 3.47Å; F135-R138 PolarHBondContact O-N 3.49Å; F135-E139 HydrophobicContact CZ-CG 4.4Å; F135-E139 PolarHBondContact O-N 2.71Å; F135-E205 HydrophobicContact CB-CB 4.49Å; F135-E205 HydrophobicContact CD1-CB 3.74Å; F135-E205 HydrophobicContact CD1-CG 3.68Å; F135-E205 HydrophobicContact CE1-CB 4.48Å; F135-E205 HydrophobicContact CE1-CG 3.95Å
136	G	97.5	Very high	96.2	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-58.8	-35.1	176.5	0	0	0	0	0	113.4	Q132 T133 R138 E139 I140 E205	Q132-G136 PolarHBondContact O-N 3.05Å; Q132-G136 VanDerWaalsContact O-N 3.1Å; T133-G136 PolarHBondContact O-N 2.93Å; G136-R138 VanDerWaalsContact C-N 3.29Å; G136-R138 PolarHBondContact O-N 2.92Å; G136-E139 PolarHBondContact O-N 2.67Å; G136-I140 WeakPolarHBondContact O-CG1 3.33Å; G136-I140 PolarHBondContact O-N 3.15Å; G136-E205 WeakPolarHBondContact CA-O 3.49Å
137	R	98.1	Very high	96.1	Very high	29 Å²	29	63.3 Å²	63.3	11%	0.109	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-34.3	176.6	-171.7	57.4	-107.3	-178.4	-7.8	113	T133 F135 E141 E144 E183 A209	T133-R137 VanDerWaalsContact O-CB 3.27Å; T133-R137 WeakPolarHBondContact O-CB 3.32Å; T133-R137 PolarHBondContact O-N 3.32Å; F135-R137 VanDerWaalsContact C-N 3.25Å; F135-R137 PolarHBondContact O-N 3.29Å; R137-E141 WeakPolarHBondContact CG-OE1 3.41Å; R137-E141 IonicContact CZ-OE1 2.67Å; R137-E141 IonicContact NE-OE1 2.69Å; R137-E141 PolarHBondContact NE-OE1 3.48Å; R137-E141 VanDerWaalsContact NE-OE1 3.14Å; R137-E141 WeakPolarHBondContact O-CB 3.45Å; R137-E141 VanDerWaalsContact O-CG 3.28Å; R137-E141 WeakPolarHBondContact O-CG 3.34Å; R137-E141 PolarHBondContact O-N 3.32Å; R137-E144 IonicContact NH2-OE2 2.74Å; R137-E144 PolarHBondContact NH2-OE2 2.7Å; R137-E183 IonicContact CZ-OE2 2.89Å; R137-E183 IonicContact NH1-OE1 3.81Å; R137-E183 PolarHBondContact NH1-OE1 2.87Å; R137-E183 IonicContact NH1-OE2 2.76Å; R137-E183 PolarHBondContact NH1-OE2 2.82Å; R137-E183 IonicContact NH2-OE2 3.09Å; R137-A209 HydrophobicContact CB-CB 4.47Å
138	R	97.9	Very high	95.8	Very high	134 Å²	134	65.3 Å²	65.3	51%	0.506	31%	0.307	S	S	.	.	H	α-helix	trans	-70.9	-41.3	174.1	-76.5	174.1	-78.9	164.8	-5.7	111.7	E134 F135 G136 I140 E141 I142	E134-R138 PolarHBondContact O-NE 3.38Å; E134-R138 PolarHBondContact O-NH2 3.41Å; F135-R138 WeakPolarHBondContact O-CB 3.47Å; F135-R138 PolarHBondContact O-N 3.49Å; G136-R138 VanDerWaalsContact C-N 3.29Å; G136-R138 PolarHBondContact O-N 2.92Å; R138-I140 VanDerWaalsContact C-N 3.32Å; R138-I140 PolarHBondContact O-N 2.94Å; R138-E141 PolarHBondContact O-N 2.9Å; R138-I142 WeakPolarHBondContact O-CG1 3.34Å; R138-I142 PolarHBondContact O-N 3.28Å
139	E	96.5	Very high	95.7	Very high	62 Å²	62	62 Å²	62	29%	0.29	29%	0.293	S	S	.	.	H	α-helix	trans	-59.7	-42	173.3	-65.2	-60	114.4	0	0	111.7	F135 G136 I142 A143 A176 V206	F135-E139 HydrophobicContact CZ-CG 4.4Å; F135-E139 PolarHBondContact O-N 2.71Å; G136-E139 PolarHBondContact O-N 2.67Å; E139-I142 PolarHBondContact O-N 2.91Å; E139-A143 PolarHBondContact O-N 3.08Å; E139-A176 HydrophobicContact CB-CB 4.14Å; E139-V206 HydrophobicContact CB-CG2 4.27Å
140	I	97.6	Very high	95.7	Very high	1 Å²	1	59 Å²	59	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-65	-43	174.3	-56.1	162.6	0	0	0	110.7	G136 R138 I142 A143 E144 A176 A179 V180 V206 A209	G136-I140 WeakPolarHBondContact O-CG1 3.33Å; G136-I140 PolarHBondContact O-N 3.15Å; R138-I140 VanDerWaalsContact C-N 3.32Å; R138-I140 PolarHBondContact O-N 2.94Å; I140-I142 VanDerWaalsContact C-N 3.27Å; I140-I142 PolarHBondContact O-N 2.82Å; I140-A143 CarbonylContact O-C 3.58Å; I140-A143 PolarHBondContact O-N 2.86Å; I140-A143 VanDerWaalsContact O-N 3.1Å; I140-E144 HydrophobicContact CG2-CG 4.27Å; I140-E144 WeakPolarHBondContact O-CG 3.09Å; I140-E144 PolarHBondContact O-N 3.46Å; I140-A176 HydrophobicContact CG1-CB 4.48Å; I140-A179 HydrophobicContact CD1-CB 3.68Å; I140-A179 HydrophobicContact CG1-CB 3.72Å; I140-A179 HydrophobicContact CG2-CB 4.28Å; I140-V180 HydrophobicContact CG2-CG2 3.95Å; I140-V206 HydrophobicContact CD1-CG1 4.15Å; I140-V206 HydrophobicContact CG1-CG1 4.11Å; I140-V206 HydrophobicContact CG1-CG2 4.43Å; I140-A209 HydrophobicContact CD1-CB 3.75Å
141	E	96.8	Very high	95.7	Very high	89 Å²	89	59 Å²	59	42%	0.416	28%	0.277	S	S	.	.	H	α-helix	trans	-64.1	-28.3	177.5	-77.2	162.8	-164.2	0	0	113.8	R137 R138 Q145	R137-E141 WeakPolarHBondContact CG-OE1 3.41Å; R137-E141 IonicContact CZ-OE1 2.67Å; R137-E141 IonicContact NE-OE1 2.69Å; R137-E141 PolarHBondContact NE-OE1 3.48Å; R137-E141 VanDerWaalsContact NE-OE1 3.14Å; R137-E141 WeakPolarHBondContact O-CB 3.45Å; R137-E141 VanDerWaalsContact O-CG 3.28Å; R137-E141 WeakPolarHBondContact O-CG 3.34Å; R137-E141 PolarHBondContact O-N 3.32Å; R138-E141 PolarHBondContact O-N 2.9Å; E141-Q145 PolarHBondContact O-NE2 3.29Å
142	I	95.4	Very high	95.7	Very high	92 Å²	92	52.7 Å²	52.7	47%	0.472	26%	0.255	S	S	.	.	H	α-helix	trans	-70.7	-48.5	168.9	-66.9	163.4	0	0	0	109.5	R138 E139 I140 E144 Q145	R138-I142 WeakPolarHBondContact O-CG1 3.34Å; R138-I142 PolarHBondContact O-N 3.28Å; E139-I142 PolarHBondContact O-N 2.91Å; I140-I142 VanDerWaalsContact C-N 3.27Å; I140-I142 PolarHBondContact O-N 2.82Å; I142-E144 VanDerWaalsContact C-N 3.31Å; I142-E144 PolarHBondContact O-N 2.86Å; I142-Q145 WeakPolarHBondContact O-CB 3.37Å; I142-Q145 PolarHBondContact O-N 3.15Å; I142-Q145 VanDerWaalsContact O-N 3.13Å
143	A	95.8	Very high	95.7	Very high	2 Å²	2	50.1 Å²	50.1	2%	0.017	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-36.1	178	0	0	0	0	0	113.3	E139 I140 Q145 D146 M147 A176 Q177 V180 T472	E139-A143 PolarHBondContact O-N 3.08Å; I140-A143 CarbonylContact O-C 3.58Å; I140-A143 PolarHBondContact O-N 2.86Å; I140-A143 VanDerWaalsContact O-N 3.1Å; A143-Q145 PolarHBondContact O-N 3.46Å; A143-D146 PolarHBondContact O-N 2.83Å; A143-M147 HydrophobicContact CB-SD 4.42Å; A143-M147 WeakPolarHBondContact O-CB 3.27Å; A143-M147 WeakPolarHBondContact O-CG 3.42Å; A143-M147 PolarHBondContact O-N 2.97Å; A143-A176 HydrophobicContact CB-CB 3.91Å; A143-Q177 HydrophobicContact CB-CG 4.24Å; A143-V180 HydrophobicContact CB-CG2 3.87Å; A143-T472 HydrophobicContact CB-CG2 4.38Å
144	E	95.4	Very high	95.6	Very high	41 Å²	41	50.3 Å²	50.3	19%	0.192	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-21.5	177.7	-71.2	-163.7	124.6	0	0	113.9	R137 I140 I142 I151 R154 V180	R137-E144 IonicContact NH2-OE2 2.74Å; R137-E144 PolarHBondContact NH2-OE2 2.7Å; I140-E144 HydrophobicContact CG2-CG 4.27Å; I140-E144 WeakPolarHBondContact O-CG 3.09Å; I140-E144 PolarHBondContact O-N 3.46Å; I142-E144 VanDerWaalsContact C-N 3.31Å; I142-E144 PolarHBondContact O-N 2.86Å; E144-I151 HydrophobicContact CB-CD1 4.22Å; E144-I151 HydrophobicContact CB-CG1 4.34Å; E144-I151 HydrophobicContact CG-CD1 4.04Å; E144-I151 WeakPolarHBondContact O-CG1 3.4Å; E144-R154 IonicContact OE1-CZ 2.77Å; E144-R154 IonicContact OE1-NH1 2.77Å; E144-R154 PolarHBondContact OE1-NH1 3.22Å; E144-R154 IonicContact OE1-NH2 2.74Å; E144-R154 PolarHBondContact OE1-NH2 2.85Å; E144-V180 HydrophobicContact CB-CG2 4.49Å; E144-V180 HydrophobicContact CG-CB 4.31Å; E144-V180 HydrophobicContact CG-CG1 3.89Å; E144-V180 HydrophobicContact CG-CG2 3.51Å
145	Q	91.8	Very high	95.6	Very high	142 Å²	142	50.3 Å²	50.3	66%	0.664	24%	0.238	S	C	*	.	H	α-helix	trans	-76.6	-46.9	177	-68.2	167.8	65.6	0	0	111.1	E141 I142 A143	E141-Q145 PolarHBondContact O-NE2 3.29Å; I142-Q145 WeakPolarHBondContact O-CB 3.37Å; I142-Q145 PolarHBondContact O-N 3.15Å; I142-Q145 VanDerWaalsContact O-N 3.13Å; A143-Q145 PolarHBondContact O-N 3.46Å
146	D	91.4	Very high	95.4	Very high	89 Å²	89	50.3 Å²	50.3	48%	0.476	24%	0.235	S	C	.	.	H	α-helix	trans	-73.9	-28.2	178	-76.7	-8.7	0	0	0	112.9	A143 S148 T472	A143-D146 PolarHBondContact O-N 2.83Å; D146-S148 PolarHBondContact O-N 3.11Å; D146-S148 VanDerWaalsContact O-N 3.08Å; D146-T472 HydrophobicContact CB-CG2 3.4Å; D146-T472 VanDerWaalsContact CB-CG2 3.4Å
147	M	96.1	Very high	95.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	38.1	176.6	-59.8	179.6	86.7	0	0	113	A143 A149 L150 I151 Q177 V180 T472 A479	A143-M147 HydrophobicContact CB-SD 4.42Å; A143-M147 WeakPolarHBondContact O-CB 3.27Å; A143-M147 WeakPolarHBondContact O-CG 3.42Å; A143-M147 PolarHBondContact O-N 2.97Å; M147-A149 PolarHBondContact O-N 2.91Å; M147-A149 VanDerWaalsContact O-N 3.1Å; M147-L150 HydrophobicContact CB-CB 4.36Å; M147-L150 HydrophobicContact CE-CD2 3.6Å; M147-L150 PolarHBondContact O-N 2.7Å; M147-I151 PolarHBondContact O-N 3.08Å; M147-Q177 HydrophobicContact CE-CB 3.9Å; M147-Q177 VanDerWaalsContact SD-CA 3.55Å; M147-Q177 HydrophobicContact SD-CB 3.63Å; M147-Q177 HydrophobicContact SD-CG 3.87Å; M147-V180 HydrophobicContact CB-CG1 4.31Å; M147-V180 HydrophobicContact CE-CB 4.31Å; M147-V180 HydrophobicContact SD-CB 3.59Å; M147-V180 VanDerWaalsContact SD-CB 3.59Å; M147-V180 HydrophobicContact SD-CG1 3.97Å; M147-V180 HydrophobicContact SD-CG2 3.68Å; M147-T472 HydrophobicContact CG-CG2 3.48Å; M147-T472 VanDerWaalsContact CG-CG2 3.48Å; M147-T472 HydrophobicContact SD-CG2 4.21Å; M147-A479 HydrophobicContact CE-CB 3.77Å
148	S	90.9	Very high	95.1	Very high	41 Å²	41	53.4 Å²	53.4	29%	0.287	25%	0.251	S	S	.	.	H	α-helix	trans	-53.2	-33.5	-173.3	68.2	0	0	0	0	114.1	D146 S152 T519	D146-S148 PolarHBondContact O-N 3.11Å; D146-S148 VanDerWaalsContact O-N 3.08Å; S148-S152 VanDerWaalsContact O-CB 3.31Å; S148-S152 WeakPolarHBondContact O-CB 3.38Å; S148-S152 PolarHBondContact O-N 2.86Å; S148-S152 PolarHBondContact O-OG 3.09Å; S148-T519 PolarHBondContact OG-OG1 3.34Å
149	A	93.3	Very high	94.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70	-45.9	176.9	0	0	0	0	0	112.9	M147 S152 L153 L515 H516	M147-A149 PolarHBondContact O-N 2.91Å; M147-A149 VanDerWaalsContact O-N 3.1Å; A149-S152 CarbonylContact O-C 3.58Å; A149-S152 WeakPolarHBondContact O-CA 3.24Å; A149-S152 WeakPolarHBondContact O-CB 3.49Å; A149-S152 PolarHBondContact O-N 3.09Å; A149-S152 VanDerWaalsContact O-N 3.14Å; A149-L153 PolarHBondContact O-N 3.43Å; A149-L515 HydrophobicContact CB-CB 3.81Å; A149-L515 WeakPolarHBondContact CB-O 3.12Å; A149-H516 HydrophobicContact CB-CB 4.45Å; A149-H516 VanDerWaalsContact CB-CD2 3.48Å; A149-H516 WeakPolarHBondContact CB-CD2 3.31Å; A149-H516 WeakPolarHBondContact CB-CE1 3.37Å; A149-H516 WeakPolarHBondContact CB-ND1 3.47Å; A149-H516 VanDerWaalsContact CB-NE2 3.29Å; A149-H516 WeakPolarHBondContact CB-NE2 3.32Å
150	L	96.4	Very high	94.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66	-40.2	175.7	179.8	62.8	0	0	0	111	M147 S152 L153 R154 V180 L181 T184 A479 A483	M147-L150 HydrophobicContact CB-CB 4.36Å; M147-L150 HydrophobicContact CE-CD2 3.6Å; M147-L150 PolarHBondContact O-N 2.7Å; L150-S152 VanDerWaalsContact C-N 3.27Å; L150-S152 PolarHBondContact O-N 3.1Å; L150-L153 WeakPolarHBondContact O-CB 2.94Å; L150-L153 PolarHBondContact O-N 3.23Å; L150-R154 WeakPolarHBondContact O-CB 3.32Å; L150-R154 PolarHBondContact O-N 3.04Å; L150-V180 HydrophobicContact CD2-CB 4.32Å; L150-V180 HydrophobicContact CD2-CG1 3.78Å; L150-V180 HydrophobicContact CG-CG1 4.44Å; L150-L181 HydrophobicContact CD2-CB 4.48Å; L150-T184 HydrophobicContact CD1-CG2 3.87Å; L150-T184 HydrophobicContact CG-CG2 4.4Å; L150-A479 HydrophobicContact CD2-CB 3.73Å; L150-A483 HydrophobicContact CD1-CB 4.27Å
151	I	96.8	Very high	94.9	Very high	17 Å²	17	58.2 Å²	58.2	9%	0.087	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-33.5	172	-64.7	-55.3	0	0	0	111.5	E144 M147 R154 K155 V180	E144-I151 HydrophobicContact CB-CD1 4.22Å; E144-I151 HydrophobicContact CB-CG1 4.34Å; E144-I151 HydrophobicContact CG-CD1 4.04Å; E144-I151 WeakPolarHBondContact O-CG1 3.4Å; M147-I151 PolarHBondContact O-N 3.08Å; I151-R154 VanDerWaalsContact CD1-CZ 3.48Å; I151-K155 HydrophobicContact CG2-CD 3.98Å; I151-K155 VanDerWaalsContact CG2-CE 3.49Å; I151-K155 HydrophobicContact CG2-CG 4.49Å; I151-K155 WeakPolarHBondContact O-CB 3.29Å; I151-K155 VanDerWaalsContact O-CG 3.25Å; I151-K155 WeakPolarHBondContact O-CG 3.46Å; I151-K155 PolarHBondContact O-N 3.32Å; I151-V180 HydrophobicContact CD1-CG1 3.77Å; I151-V180 HydrophobicContact CG1-CG1 4.44Å
152	S	95.3	Very high	94.9	Very high	44 Å²	44	54.4 Å²	54.4	31%	0.308	27%	0.272	S	S	.	.	H	α-helix	trans	-69.3	-40.8	173.1	-65.1	0	0	0	0	112.3	S148 A149 L150 K155 R156	S148-S152 VanDerWaalsContact O-CB 3.31Å; S148-S152 WeakPolarHBondContact O-CB 3.38Å; S148-S152 PolarHBondContact O-N 2.86Å; S148-S152 PolarHBondContact O-OG 3.09Å; A149-S152 CarbonylContact O-C 3.58Å; A149-S152 WeakPolarHBondContact O-CA 3.24Å; A149-S152 WeakPolarHBondContact O-CB 3.49Å; A149-S152 PolarHBondContact O-N 3.09Å; A149-S152 VanDerWaalsContact O-N 3.14Å; L150-S152 VanDerWaalsContact C-N 3.27Å; L150-S152 PolarHBondContact O-N 3.1Å; S152-K155 PolarHBondContact O-N 2.8Å; S152-R156 WeakPolarHBondContact O-CB 3.41Å; S152-R156 WeakPolarHBondContact O-CG 3.36Å; S152-R156 PolarHBondContact O-N 2.96Å
153	L	95	Very high	95	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59.9	-47.9	170.9	177.3	61.3	0	0	0	111.1	A149 L150 K155 R156 A157 T480 A483 L484 Y511 L515	A149-L153 PolarHBondContact O-N 3.43Å; L150-L153 WeakPolarHBondContact O-CB 2.94Å; L150-L153 PolarHBondContact O-N 3.23Å; L153-K155 PolarHBondContact O-N 3.02Å; L153-R156 PolarHBondContact O-N 3.12Å; L153-A157 PolarHBondContact O-N 2.99Å; L153-T480 HydrophobicContact CD2-CG2 4.03Å; L153-A483 HydrophobicContact CD2-CB 3.95Å; L153-L484 HydrophobicContact CD1-CD2 3.95Å; L153-L484 HydrophobicContact CD2-CD2 4.08Å; L153-L484 HydrophobicContact CD2-CG 3.98Å; L153-Y511 HydrophobicContact CD1-CE1 4.31Å; L153-L515 HydrophobicContact CB-CD1 4.25Å
154	R	96.7	Very high	95.2	Very high	33 Å²	33	52.8 Å²	52.8	13%	0.125	27%	0.272	C	S	.	.	H	α-helix	trans	-53.2	-55	175	-165.9	-165	-69.4	175.3	-3.4	110.4	E144 L150 I151 R156 A157 Q158 V180 T184 A187	E144-R154 IonicContact OE1-CZ 2.77Å; E144-R154 IonicContact OE1-NH1 2.77Å; E144-R154 PolarHBondContact OE1-NH1 3.22Å; E144-R154 IonicContact OE1-NH2 2.74Å; E144-R154 PolarHBondContact OE1-NH2 2.85Å; L150-R154 WeakPolarHBondContact O-CB 3.32Å; L150-R154 PolarHBondContact O-N 3.04Å; I151-R154 VanDerWaalsContact CD1-CZ 3.48Å; R154-R156 VanDerWaalsContact C-N 3.33Å; R154-R156 PolarHBondContact O-N 3.45Å; R154-A157 PolarHBondContact O-N 3.45Å; R154-Q158 WeakPolarHBondContact O-CB 3.3Å; R154-Q158 PolarHBondContact O-N 3.1Å; R154-V180 PolarHBondContact NH2-O 3.4Å; R154-T184 HydrophobicContact CB-CG2 3.84Å; R154-T184 HydrophobicContact CG-CG2 4.02Å; R154-T184 PolarHBondContact NE-OG1 3.44Å; R154-T184 PolarHBondContact NH2-OG1 2.97Å; R154-A187 HydrophobicContact CG-CB 3.84Å
155	K	96	Very high	95.3	Very high	154 Å²	154	52.9 Å²	52.9	67%	0.67	28%	0.284	S	S	*	.	H	α-helix	trans	-61.2	-33.9	180	-74.2	168.3	-179.5	170.9	0	113.7	I151 S152 L153	I151-K155 HydrophobicContact CG2-CD 3.98Å; I151-K155 VanDerWaalsContact CG2-CE 3.49Å; I151-K155 HydrophobicContact CG2-CG 4.49Å; I151-K155 WeakPolarHBondContact O-CB 3.29Å; I151-K155 VanDerWaalsContact O-CG 3.25Å; I151-K155 WeakPolarHBondContact O-CG 3.46Å; I151-K155 PolarHBondContact O-N 3.32Å; S152-K155 PolarHBondContact O-N 2.8Å; L153-K155 PolarHBondContact O-N 3.02Å
156	R	93.8	Very high	95.6	Very high	86 Å²	86	46.1 Å²	46.1	33%	0.325	25%	0.253	S	S	.	.	H	α-helix	trans	-73.7	-40	179	-74.1	172.1	-175.4	-148.7	0.1	112.9	T33 S152 L153 R154 Y511	T33-R156 PolarHBondContact OG1-NH1 2.99Å; S152-R156 WeakPolarHBondContact O-CB 3.41Å; S152-R156 WeakPolarHBondContact O-CG 3.36Å; S152-R156 PolarHBondContact O-N 2.96Å; L153-R156 PolarHBondContact O-N 3.12Å; R154-R156 VanDerWaalsContact C-N 3.33Å; R154-R156 PolarHBondContact O-N 3.45Å; R156-Y511 WeakPolarHBondContact CD-OH 3.26Å; R156-Y511 PolarHBondContact NH1-OH 3.33Å
157	A	93.5	Very high	95.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-108.8	-8.4	-169.7	0	0	0	0	0	115.6	Y29 L153 R154 S159 E160 K161 P162 L188	Y29-A157 HydrophobicContact CE1-CB 4.11Å; L153-A157 PolarHBondContact O-N 2.99Å; R154-A157 PolarHBondContact O-N 3.45Å; A157-S159 PolarHBondContact O-N 3.05Å; A157-E160 PolarHBondContact O-N 3.39Å; A157-E160 VanDerWaalsContact O-N 3.08Å; A157-K161 PolarHBondContact O-N 2.9Å; A157-P162 HydrophobicContact CB-CG 4.25Å; A157-P162 WeakPolarHBondContact O-CD 3.32Å; A157-L188 HydrophobicContact CB-CD2 3.53Å
158	Q	94.6	Very high	96	Very high	94 Å²	94	44.2 Å²	44.2	44%	0.439	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.3	179.7	174.3	173.3	25.4	0	0	114.3	R154 K161 A187	R154-Q158 WeakPolarHBondContact O-CB 3.3Å; R154-Q158 PolarHBondContact O-N 3.1Å; Q158-K161 WeakPolarHBondContact O-CG 3.28Å; Q158-A187 HydrophobicContact CG-CB 4.46Å
159	S	94.8	Very high	96.4	Very high	103 Å²	103	42.3 Å²	42.3	72%	0.72	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-34.1	176.1	48.6	0	0	0	0	112.9	A157	A157-S159 PolarHBondContact O-N 3.05Å
160	E	95.4	Very high	96.7	Very high	76 Å²	76	42.3 Å²	42.3	36%	0.355	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-24.8	-177.6	-50.8	-160.4	125.1	0	0	112.9	K28 Y29 A157	K28-E160 WeakPolarHBondContact CE-OE1 3.25Å; K28-E160 WeakPolarHBondContact CE-OE2 3.44Å; K28-E160 IonicContact NZ-OE1 2.95Å; K28-E160 PolarHBondContact NZ-OE1 3.35Å; K28-E160 IonicContact NZ-OE2 3.31Å; K28-E160 PolarHBondContact NZ-OE2 3.15Å; Y29-E160 VanDerWaalsContact CE1-OE2 3.31Å; Y29-E160 WeakPolarHBondContact CE1-OE2 3.22Å; Y29-E160 PolarHBondContact OH-OE2 3.42Å; Y29-E160 VanDerWaalsContact OH-OE2 3.13Å; A157-E160 PolarHBondContact O-N 3.39Å; A157-E160 VanDerWaalsContact O-N 3.08Å
161	K	97.3	Very high	96.7	Very high	120 Å²	120	42.3 Å²	42.3	52%	0.522	23%	0.227	S	C	.	.			trans	49.1	62	-174.2	-60.6	-174.8	-180	-179.4	0	113	A157 Q158 L163 A164 L188	A157-K161 PolarHBondContact O-N 2.9Å; Q158-K161 WeakPolarHBondContact O-CG 3.28Å; K161-L163 PolarHBondContact O-N 3Å; K161-A164 HydrophobicContact CB-CB 4.21Å; K161-A164 VanDerWaalsContact O-CB 3.23Å; K161-A164 WeakPolarHBondContact O-CB 3.3Å; K161-A164 PolarHBondContact O-N 2.85Å; K161-L188 CarbonylContact C-O 3.59Å; K161-L188 WeakPolarHBondContact CA-O 3.48Å
162	P	97.4	Very high	96.7	Very high	9 Å²	9	41.7 Å²	41.7	6%	0.058	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-8.9	-175.2	28.9	-37.3	0	0	0	114.9	Y29 A157 L188 I487 Y490 N491	Y29-P162 WeakPolarHBondContact OH-CB 3.31Å; A157-P162 HydrophobicContact CB-CG 4.25Å; A157-P162 WeakPolarHBondContact O-CD 3.32Å; P162-L188 HydrophobicContact CG-CB 4.34Å; P162-L188 HydrophobicContact CG-CD2 4Å; P162-I487 HydrophobicContact CB-CG1 4.34Å; P162-I487 HydrophobicContact CB-CG2 4.22Å; P162-I487 HydrophobicContact CG-CD1 4.18Å; P162-I487 HydrophobicContact CG-CG1 4.08Å; P162-Y490 WeakPolarHBondContact O-CD1 3.43Å; P162-N491 PolarHBondContact O-ND2 2.86Å; P162-N491 PolarHBondContact O-OD1 3.23Å
163	L	98.4	Very high	96.6	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	17.4	174.2	-61.1	175.3	0	0	0	112.2	K161 G165 A166 I168 L185 L188 G189 A190 I487 Y490	K161-L163 PolarHBondContact O-N 3Å; L163-G165 PolarHBondContact O-N 2.86Å; L163-G165 VanDerWaalsContact O-N 3.09Å; L163-A166 HydrophobicContact CB-CB 4.01Å; L163-A166 HydrophobicContact CD2-CB 4.41Å; L163-A166 WeakPolarHBondContact O-CB 3.22Å; L163-A166 PolarHBondContact O-N 3.46Å; L163-I168 HydrophobicContact CD1-CD1 4.26Å; L163-L185 HydrophobicContact CD1-CB 4.42Å; L163-L185 HydrophobicContact CD1-CD2 3.51Å; L163-L188 WeakPolarHBondContact CA-O 3.31Å; L163-L188 HydrophobicContact CB-CB 4.39Å; L163-L188 HydrophobicContact CD1-CB 4.07Å; L163-L188 HydrophobicContact CD1-CD1 4.36Å; L163-L188 HydrophobicContact CG-CB 4.3Å; L163-L188 PolarHBondContact N-O 3.05Å; L163-G189 CarbonylContact O-C 3.53Å; L163-G189 VanDerWaalsContact O-C 3.26Å; L163-G189 VanDerWaalsContact O-O 3.13Å; L163-A190 HydrophobicContact CB-CB 3.92Å; L163-A190 HydrophobicContact CD1-CB 4.33Å; L163-A190 PolarHBondContact O-N 2.91Å; L163-I487 HydrophobicContact CD1-CG1 4.36Å; L163-I487 HydrophobicContact CD2-CG1 4.07Å; L163-I487 HydrophobicContact CG-CG1 4.09Å; L163-Y490 HydrophobicContact CD2-CD1 4.24Å; L163-Y490 HydrophobicContact CD2-CG 4.3Å
164	A	98.3	Very high	96.7	Very high	58 Å²	58	41.9 Å²	41.9	48%	0.479	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	115.1	175.9	0	0	0	0	0	111.6	K161 Y490	K161-A164 HydrophobicContact CB-CB 4.21Å; K161-A164 VanDerWaalsContact O-CB 3.23Å; K161-A164 WeakPolarHBondContact O-CB 3.3Å; K161-A164 PolarHBondContact O-N 2.85Å; A164-Y490 WeakPolarHBondContact O-CE1 3.42Å; A164-Y490 PolarHBondContact O-OH 3.21Å
165	G	97.3	Very high	96.6	Very high	44 Å²	44	41.5 Å²	41.5	45%	0.454	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	-2.5	-176.3	0	0	0	0	0	115	L163 K167 N244 Y490	L163-G165 PolarHBondContact O-N 2.86Å; L163-G165 VanDerWaalsContact O-N 3.09Å; G165-K167 PolarHBondContact O-N 2.92Å; G165-N244 PolarHBondContact O-ND2 2.9Å; G165-Y490 WeakPolarHBondContact CA-OH 3.35Å; G165-Y490 PolarHBondContact O-OH 2.94Å
166	A	98.4	Very high	96.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.19	C	C	.	.			trans	-66.1	132.9	167.4	0	0	0	0	0	109.3	L163 I168 A190 Q191 N244 Y490	L163-A166 HydrophobicContact CB-CB 4.01Å; L163-A166 HydrophobicContact CD2-CB 4.41Å; L163-A166 WeakPolarHBondContact O-CB 3.22Å; L163-A166 PolarHBondContact O-N 3.46Å; A166-I168 HydrophobicContact CB-CD1 4.46Å; A166-I168 HydrophobicContact CB-CG1 4.12Å; A166-A190 HydrophobicContact CB-CB 4.18Å; A166-Q191 PolarHBondContact O-N 3.19Å; A166-N244 WeakPolarHBondContact CA-OD1 3.28Å; A166-Y490 HydrophobicContact CB-CD1 4.44Å; A166-Y490 HydrophobicContact CB-CD2 3.89Å; A166-Y490 HydrophobicContact CB-CE1 4.35Å; A166-Y490 HydrophobicContact CB-CE2 3.82Å; A166-Y490 HydrophobicContact CB-CG 4.22Å; A166-Y490 PolarHBondContact N-OH 3.08Å
167	K	98.6	Very high	96.7	Very high	49 Å²	49	31.2 Å²	31.2	21%	0.213	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	88.6	174.2	-72.5	-168.8	173.2	-157.9	0	106.4	G165 Q191 G240 W241 Q242 P243 N244 M245	G165-K167 PolarHBondContact O-N 2.92Å; K167-Q191 CarbonylContact C-O 3.54Å; K167-Q191 WeakPolarHBondContact CA-O 3.3Å; K167-Q191 VanDerWaalsContact CE-OE1 3.24Å; K167-Q191 HydrophobicContact CG-CB 4.41Å; K167-G240 PolarHBondContact NZ-O 3.01Å; K167-W241 HydrophobicContact CB-CH2 4.13Å; K167-W241 HydrophobicContact CB-CZ2 3.55Å; K167-W241 HydrophobicContact CD-CD2 4.18Å; K167-W241 HydrophobicContact CD-CG 4.18Å; K167-W241 HydrophobicContact CD-CZ2 4.5Å; K167-W241 HydrophobicContact CG-CZ2 4.13Å; K167-Q242 WeakPolarHBondContact CD-O 3.39Å; K167-P243 CarbonylContact O-C 3.58Å; K167-P243 WeakPolarHBondContact O-CA 3.33Å; K167-N244 PolarHBondContact N-OD1 3.37Å; K167-N244 PolarHBondContact O-N 3Å; K167-M245 PolarHBondContact O-N 2.98Å; K167-M245 VanDerWaalsContact O-N 3.12Å
168	I	98.7	Very high	96.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	124.9	-173.6	-53.5	175.4	0	0	0	107.9	L163 A166 L185 A190 Q191 C192 R193 W194 M245 L247 L486	L163-I168 HydrophobicContact CD1-CD1 4.26Å; A166-I168 HydrophobicContact CB-CD1 4.46Å; A166-I168 HydrophobicContact CB-CG1 4.12Å; I168-L185 HydrophobicContact CD1-CB 4.24Å; I168-L185 HydrophobicContact CD1-CD1 4.06Å; I168-L185 HydrophobicContact CD1-CD2 4.22Å; I168-L185 HydrophobicContact CD1-CG 4.4Å; I168-A190 HydrophobicContact CD1-CB 3.54Å; I168-A190 HydrophobicContact CG1-CB 4.09Å; I168-Q191 PolarHBondContact N-O 2.8Å; I168-C192 WeakPolarHBondContact O-CA 3.44Å; I168-R193 PolarHBondContact O-N 3.04Å; I168-W194 HydrophobicContact CG2-CZ3 4.24Å; I168-M245 WeakPolarHBondContact CA-O 3.5Å; I168-M245 HydrophobicContact CB-CB 4.49Å; I168-M245 HydrophobicContact CG1-CB 3.97Å; I168-L247 HydrophobicContact CG2-CB 4.47Å; I168-L486 HydrophobicContact CD1-CD1 4.28Å
169	V	98.6	Very high	97.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.8	161	57.7	0	0	0	0	108.5	R193 C235 V236 W241 P243 M245 I246 L247 L253	V169-R193 WeakPolarHBondContact CA-O 3.33Å; V169-C235 HydrophobicContact CG2-CB 3.7Å; V169-V236 HydrophobicContact CG2-CG2 4.21Å; V169-W241 HydrophobicContact CB-CH2 4.37Å; V169-P243 HydrophobicContact CB-CB 4.11Å; V169-P243 HydrophobicContact CG1-CB 3.57Å; V169-P243 HydrophobicContact CG1-CG 3.97Å; V169-M245 PolarHBondContact N-O 2.91Å; V169-M245 VanDerWaalsContact N-O 3.07Å; V169-I246 HydrophobicContact CG1-CG1 3.91Å; V169-I246 WeakPolarHBondContact O-CA 3.38Å; V169-L247 PolarHBondContact O-N 3.02Å; V169-L253 HydrophobicContact CB-CD2 4.45Å; V169-L253 HydrophobicContact CG1-CD1 4.17Å; V169-L253 HydrophobicContact CG1-CD2 4.13Å; V169-L253 HydrophobicContact CG2-CD1 3.78Å; V169-L253 HydrophobicContact CG2-CD2 3.9Å
170	G	98.4	Very high	97.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.6	-177.2	0	0	0	0	0	112.5	R193 W194 T195 L247	G170-R193 PolarHBondContact N-O 2.74Å; G170-W194 WeakPolarHBondContact O-CA 3.27Å; G170-T195 WeakPolarHBondContact O-CG2 3.37Å; G170-T195 PolarHBondContact O-N 3.08Å; G170-L247 CarbonylContact C-O 3.59Å; G170-L247 VanDerWaalsContact CA-O 3.31Å; G170-L247 WeakPolarHBondContact CA-O 3.35Å
171	C	98.1	Very high	97.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	96.7	172.6	178.2	0	0	0	0	108.6	T195 L247 D249 L253	C171-T195 WeakPolarHBondContact CA-O 3.35Å; C171-T195 HydrophobicContact CB-CG2 3.79Å; C171-L247 PolarHBondContact N-O 3.34Å; C171-D249 PolarHBondContact O-N 3.47Å; C171-L253 HydrophobicContact CB-CB 3.42Å; C171-L253 VanDerWaalsContact CB-CB 3.42Å; C171-L253 HydrophobicContact CB-CD2 3.46Å; C171-L253 VanDerWaalsContact CB-CD2 3.46Å; C171-L253 HydrophobicContact CB-CG 4.05Å
172	T	96.5	Very high	97.5	Very high	5 Å²	5	13.6 Å²	13.6	3%	0.031	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	172.5	-176	67.7	0	0	0	0	109.8	I174 T178 W194 T195 A196 C197 L247 D249	T172-I174 PolarHBondContact O-N 3.47Å; T172-T178 VanDerWaalsContact OG1-CG2 3.28Å; T172-T178 WeakPolarHBondContact OG1-CG2 3.36Å; T172-W194 HydrophobicContact CG2-CZ2 4.38Å; T172-W194 PolarHBondContact OG1-NE1 2.75Å; T172-T195 PolarHBondContact N-O 3.3Å; T172-A196 WeakPolarHBondContact O-CA 3.21Å; T172-C197 PolarHBondContact O-N 3.08Å; T172-C197 VanDerWaalsContact O-N 3.12Å; T172-L247 HydrophobicContact CG2-CD2 4.28Å; T172-L247 HydrophobicContact CG2-CG 4.22Å; T172-D249 HydrophobicContact CG2-CB 4.17Å
173	H	93.6	Very high	97.5	Very high	47 Å²	47	14.4 Å²	14.4	22%	0.218	9%	0.092	C	C	.	.			trans	-58.1	128.6	169.6	-65.8	-46.8	0	0	0	110.4	T175 T178 C197 S201 D249	H173-T175 HydrophobicContact CB-CG2 4.37Å; H173-T175 PolarHBondContact O-N 2.83Å; H173-T178 WeakPolarHBondContact O-CB 3.15Å; H173-T178 WeakPolarHBondContact O-CG2 3.33Å; H173-T178 PolarHBondContact O-OG1 2.82Å; H173-C197 PolarHBondContact CE1-SG 3.36Å; H173-C197 PolarHBondContact N-SG 2.85Å; H173-C197 PolarHBondContact ND1-SG 2.74Å; H173-S201 WeakPolarHBondContact ND1-CB 3.5Å; H173-S201 PolarHBondContact ND1-OG 3.43Å; H173-D249 IonicContact CD2-OD2 3.14Å; H173-D249 IonicContact NE2-OD2 3.98Å
174	I	95.6	Very high	97.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.092	C	C	.	.			trans	-92.5	91.3	178	-58.4	-161.9	0	0	0	109.4	T172 W194 T202 Q203 A207 L210 V217 A219	T172-I174 PolarHBondContact O-N 3.47Å; I174-W194 HydrophobicContact CD1-CB 4.48Å; I174-T202 HydrophobicContact CB-CG2 4.26Å; I174-T202 HydrophobicContact CG2-CG2 4.45Å; I174-Q203 PolarHBondContact O-N 3.21Å; I174-A207 HydrophobicContact CG2-CB 4.27Å; I174-L210 HydrophobicContact CG2-CD1 4.3Å; I174-V217 HydrophobicContact CD1-CG1 3.68Å; I174-A219 HydrophobicContact CD1-CB 3.6Å; I174-A219 HydrophobicContact CG1-CB 4.46Å
175	T	95.3	Very high	97.6	Very high	25 Å²	25	11.6 Å²	11.6	15%	0.153	7%	0.069	C	C	.	.	S	Bend	trans	-121.1	171.1	174.3	72.9	0	0	0	0	111.4	H173 Q177 T178 A179	H173-T175 HydrophobicContact CB-CG2 4.37Å; H173-T175 PolarHBondContact O-N 2.83Å; T175-Q177 PolarHBondContact O-N 2.99Å; T175-Q177 PolarHBondContact OG1-N 2.87Å; T175-Q177 PolarHBondContact OG1-OE1 2.84Å; T175-T178 WeakPolarHBondContact O-CB 3.47Å; T175-T178 PolarHBondContact O-N 3.32Å; T175-A179 PolarHBondContact O-N 2.98Å
176	A	96.6	Very high	97.6	Very high	3 Å²	3	12.7 Å²	12.7	3%	0.025	7%	0.067	C	C	.	.	H	α-helix	trans	-49.7	-40.5	174.8	0	0	0	0	0	112.4	E139 I140 A143 A179 V180 V206	E139-A176 HydrophobicContact CB-CB 4.14Å; I140-A176 HydrophobicContact CG1-CB 4.48Å; A143-A176 HydrophobicContact CB-CB 3.91Å; A176-A179 WeakPolarHBondContact O-CB 3.49Å; A176-A179 PolarHBondContact O-N 3.33Å; A176-V180 WeakPolarHBondContact O-CG2 3.26Å; A176-V180 PolarHBondContact O-N 2.77Å; A176-V180 VanDerWaalsContact O-N 3.09Å; A176-V206 HydrophobicContact CB-CG2 4.12Å
177	Q	96.4	Very high	97.6	Very high	21 Å²	21	13.7 Å²	13.7	10%	0.098	8%	0.075	C	C	.	.	H	α-helix	trans	-68.1	-41.6	178.6	-58.9	83.9	1.7	0	0	112.4	A143 M147 T175 A179 V180 L181 T472 L475	A143-Q177 HydrophobicContact CB-CG 4.24Å; M147-Q177 HydrophobicContact CE-CB 3.9Å; M147-Q177 VanDerWaalsContact SD-CA 3.55Å; M147-Q177 HydrophobicContact SD-CB 3.63Å; M147-Q177 HydrophobicContact SD-CG 3.87Å; T175-Q177 PolarHBondContact O-N 2.99Å; T175-Q177 PolarHBondContact OG1-N 2.87Å; T175-Q177 PolarHBondContact OG1-OE1 2.84Å; Q177-A179 VanDerWaalsContact C-N 3.27Å; Q177-A179 PolarHBondContact O-N 3.07Å; Q177-V180 WeakPolarHBondContact O-CB 3.36Å; Q177-V180 PolarHBondContact O-N 2.74Å; Q177-V180 VanDerWaalsContact O-N 3.14Å; Q177-L181 PolarHBondContact O-N 3.05Å; Q177-L181 VanDerWaalsContact O-N 3.1Å; Q177-T472 HydrophobicContact CG-CG2 3.73Å; Q177-T472 PolarHBondContact NE2-OG1 2.79Å; Q177-L475 HydrophobicContact CB-CB 3.86Å; Q177-L475 HydrophobicContact CB-CD1 3.83Å; Q177-L475 HydrophobicContact CB-CG 4.48Å; Q177-L475 HydrophobicContact CG-CB 3.98Å; Q177-L475 HydrophobicContact CG-CD1 3.65Å; Q177-L475 HydrophobicContact CG-CG 4.46Å
178	T	96.8	Very high	97.6	Very high	21 Å²	21	11.3 Å²	11.3	13%	0.129	7%	0.065	C	C	.	.	H	α-helix	trans	-62.9	-34.9	172.1	-57.6	0	0	0	0	111.4	T172 H173 T175 L181 I182 W194	T172-T178 VanDerWaalsContact OG1-CG2 3.28Å; T172-T178 WeakPolarHBondContact OG1-CG2 3.36Å; H173-T178 WeakPolarHBondContact O-CB 3.15Å; H173-T178 WeakPolarHBondContact O-CG2 3.33Å; H173-T178 PolarHBondContact O-OG1 2.82Å; T175-T178 WeakPolarHBondContact O-CB 3.47Å; T175-T178 PolarHBondContact O-N 3.32Å; T178-L181 WeakPolarHBondContact O-CB 3.31Å; T178-L181 PolarHBondContact O-N 2.88Å; T178-I182 HydrophobicContact CG2-CD1 3.97Å; T178-I182 HydrophobicContact CG2-CG1 4.4Å; T178-I182 VanDerWaalsContact O-CG1 3.28Å; T178-I182 WeakPolarHBondContact O-CG1 3.21Å; T178-I182 PolarHBondContact O-N 3.27Å; T178-W194 HydrophobicContact CG2-CZ2 4.3Å
179	A	98.2	Very high	97.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65	-37.2	172.8	0	0	0	0	0	112.5	I140 T175 A176 Q177 L181 I182 E183 V206 L210	I140-A179 HydrophobicContact CD1-CB 3.68Å; I140-A179 HydrophobicContact CG1-CB 3.72Å; I140-A179 HydrophobicContact CG2-CB 4.28Å; T175-A179 PolarHBondContact O-N 2.98Å; A176-A179 WeakPolarHBondContact O-CB 3.49Å; A176-A179 PolarHBondContact O-N 3.33Å; Q177-A179 VanDerWaalsContact C-N 3.27Å; Q177-A179 PolarHBondContact O-N 3.07Å; A179-L181 VanDerWaalsContact C-N 3.3Å; A179-L181 PolarHBondContact O-N 3Å; A179-I182 PolarHBondContact O-N 3.1Å; A179-E183 WeakPolarHBondContact O-CB 3.32Å; A179-E183 PolarHBondContact O-N 3.19Å; A179-V206 HydrophobicContact CB-CG1 3.58Å; A179-L210 HydrophobicContact CB-CD1 3.89Å; A179-L210 HydrophobicContact CB-CD2 3.77Å; A179-L210 HydrophobicContact CB-CG 3.88Å
180	V	98.6	Very high	97.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.6	-37.6	171.2	-174.2	0	0	0	0	111.7	I140 A143 E144 M147 L150 I151 R154 A176 Q177 T184	I140-V180 HydrophobicContact CG2-CG2 3.95Å; A143-V180 HydrophobicContact CB-CG2 3.87Å; E144-V180 HydrophobicContact CB-CG2 4.49Å; E144-V180 HydrophobicContact CG-CB 4.31Å; E144-V180 HydrophobicContact CG-CG1 3.89Å; E144-V180 HydrophobicContact CG-CG2 3.51Å; M147-V180 HydrophobicContact CB-CG1 4.31Å; M147-V180 HydrophobicContact CE-CB 4.31Å; M147-V180 HydrophobicContact SD-CB 3.59Å; M147-V180 VanDerWaalsContact SD-CB 3.59Å; M147-V180 HydrophobicContact SD-CG1 3.97Å; M147-V180 HydrophobicContact SD-CG2 3.68Å; L150-V180 HydrophobicContact CD2-CB 4.32Å; L150-V180 HydrophobicContact CD2-CG1 3.78Å; L150-V180 HydrophobicContact CG-CG1 4.44Å; I151-V180 HydrophobicContact CD1-CG1 3.77Å; I151-V180 HydrophobicContact CG1-CG1 4.44Å; R154-V180 PolarHBondContact NH2-O 3.4Å; A176-V180 WeakPolarHBondContact O-CG2 3.26Å; A176-V180 PolarHBondContact O-N 2.77Å; A176-V180 VanDerWaalsContact O-N 3.09Å; Q177-V180 WeakPolarHBondContact O-CB 3.36Å; Q177-V180 PolarHBondContact O-N 2.74Å; Q177-V180 VanDerWaalsContact O-N 3.14Å; V180-T184 VanDerWaalsContact O-CB 3.3Å; V180-T184 WeakPolarHBondContact O-CB 3.29Å; V180-T184 PolarHBondContact O-N 3.02Å; V180-T184 PolarHBondContact O-OG1 3.1Å
181	L	98.6	Very high	97.6	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.01	10%	0.1	C	C	.	.	H	α-helix	trans	-63.3	-52.4	172	175.9	58.1	0	0	0	111.3	L150 Q177 T178 A179 E183 T184 L185 L247 A479 Q482 A483	L150-L181 HydrophobicContact CD2-CB 4.48Å; Q177-L181 PolarHBondContact O-N 3.05Å; Q177-L181 VanDerWaalsContact O-N 3.1Å; T178-L181 WeakPolarHBondContact O-CB 3.31Å; T178-L181 PolarHBondContact O-N 2.88Å; A179-L181 VanDerWaalsContact C-N 3.3Å; A179-L181 PolarHBondContact O-N 3Å; L181-E183 PolarHBondContact O-N 3.12Å; L181-T184 CarbonylContact O-C 3.59Å; L181-T184 WeakPolarHBondContact O-CA 3.47Å; L181-T184 VanDerWaalsContact O-CB 3.3Å; L181-T184 WeakPolarHBondContact O-CB 3.32Å; L181-T184 PolarHBondContact O-N 3.31Å; L181-L185 HydrophobicContact CD1-CD1 4.13Å; L181-L185 HydrophobicContact CD1-CD2 4.34Å; L181-L185 HydrophobicContact CD1-CG 4.03Å; L181-L185 HydrophobicContact CG-CD1 4.12Å; L181-L185 HydrophobicContact CG-CG 4.43Å; L181-L185 WeakPolarHBondContact O-CG 3.08Å; L181-L185 PolarHBondContact O-N 2.95Å; L181-L247 HydrophobicContact CD2-CD2 3.87Å; L181-A479 HydrophobicContact CB-CB 4.02Å; L181-A479 HydrophobicContact CD1-CB 4.19Å; L181-A479 WeakPolarHBondContact CD1-O 3.29Å; L181-A479 HydrophobicContact CD2-CB 4.19Å; L181-A479 HydrophobicContact CG-CB 4.36Å; L181-Q482 HydrophobicContact CD2-CB 4.36Å; L181-Q482 VanDerWaalsContact CD2-OE1 3.25Å; L181-A483 HydrophobicContact CD1-CB 4.03Å
182	I	98.6	Very high	97.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-57.6	-49.4	-179.7	-67.8	165	0	0	0	111	T178 A179 T184 L185 V186 C192 W194 L210 V215	T178-I182 HydrophobicContact CG2-CD1 3.97Å; T178-I182 HydrophobicContact CG2-CG1 4.4Å; T178-I182 VanDerWaalsContact O-CG1 3.28Å; T178-I182 WeakPolarHBondContact O-CG1 3.21Å; T178-I182 PolarHBondContact O-N 3.27Å; A179-I182 PolarHBondContact O-N 3.1Å; I182-T184 PolarHBondContact O-N 3.04Å; I182-L185 PolarHBondContact O-N 3.16Å; I182-V186 WeakPolarHBondContact O-CG2 3.44Å; I182-V186 PolarHBondContact O-N 3.4Å; I182-C192 HydrophobicContact CG2-CB 4.34Å; I182-W194 HydrophobicContact CD1-CB 4.23Å; I182-W194 HydrophobicContact CD1-CD2 3.55Å; I182-W194 HydrophobicContact CD1-CE3 4.02Å; I182-W194 HydrophobicContact CD1-CG 3.68Å; I182-W194 HydrophobicContact CD1-CZ2 4.3Å; I182-W194 HydrophobicContact CG1-CD2 3.68Å; I182-W194 HydrophobicContact CG1-CE3 3.69Å; I182-W194 HydrophobicContact CG1-CG 4.35Å; I182-W194 HydrophobicContact CG1-CH2 3.83Å; I182-W194 HydrophobicContact CG1-CZ2 3.85Å; I182-W194 HydrophobicContact CG1-CZ3 3.77Å; I182-L210 HydrophobicContact CB-CD2 4.18Å; I182-L210 HydrophobicContact CD1-CD1 3.66Å; I182-L210 HydrophobicContact CD1-CD2 4.33Å; I182-L210 HydrophobicContact CG2-CD2 3.94Å; I182-V215 HydrophobicContact CG2-CB 4.42Å; I182-V215 HydrophobicContact CG2-CG1 3.87Å; I182-V215 HydrophobicContact CG2-CG2 3.8Å
183	E	98.5	Very high	97.7	Very high	27 Å²	27	18.2 Å²	18.2	13%	0.126	11%	0.105	C	C	.	.	H	α-helix	trans	-65	-27.6	177	-70.4	-167.5	147.4	0	0	112.2	R137 A179 L181 A187 L210 R213	R137-E183 IonicContact CZ-OE2 2.89Å; R137-E183 IonicContact NH1-OE1 3.81Å; R137-E183 PolarHBondContact NH1-OE1 2.87Å; R137-E183 IonicContact NH1-OE2 2.76Å; R137-E183 PolarHBondContact NH1-OE2 2.82Å; R137-E183 IonicContact NH2-OE2 3.09Å; A179-E183 WeakPolarHBondContact O-CB 3.32Å; A179-E183 PolarHBondContact O-N 3.19Å; L181-E183 PolarHBondContact O-N 3.12Å; E183-A187 WeakPolarHBondContact O-CB 3.47Å; E183-A187 PolarHBondContact O-N 2.97Å; E183-L210 HydrophobicContact CG-CD2 4.45Å; E183-R213 WeakPolarHBondContact OE1-CD 3.42Å; E183-R213 WeakPolarHBondContact OE1-CG 3.17Å; E183-R213 IonicContact OE1-NE 2.68Å
184	T	98.7	Very high	97.9	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-68.3	-48.4	169.7	-60.5	0	0	0	0	111.8	L150 R154 V180 L181 I182 V186 A187 L188	L150-T184 HydrophobicContact CD1-CG2 3.87Å; L150-T184 HydrophobicContact CG-CG2 4.4Å; R154-T184 HydrophobicContact CB-CG2 3.84Å; R154-T184 HydrophobicContact CG-CG2 4.02Å; R154-T184 PolarHBondContact NE-OG1 3.44Å; R154-T184 PolarHBondContact NH2-OG1 2.97Å; V180-T184 VanDerWaalsContact O-CB 3.3Å; V180-T184 WeakPolarHBondContact O-CB 3.29Å; V180-T184 PolarHBondContact O-N 3.02Å; V180-T184 PolarHBondContact O-OG1 3.1Å; L181-T184 CarbonylContact O-C 3.59Å; L181-T184 WeakPolarHBondContact O-CA 3.47Å; L181-T184 VanDerWaalsContact O-CB 3.3Å; L181-T184 WeakPolarHBondContact O-CB 3.32Å; L181-T184 PolarHBondContact O-N 3.31Å; I182-T184 PolarHBondContact O-N 3.04Å; T184-V186 VanDerWaalsContact C-N 3.31Å; T184-V186 PolarHBondContact O-N 3.44Å; T184-A187 PolarHBondContact O-N 3.48Å; T184-L188 HydrophobicContact CG2-CD1 3.78Å; T184-L188 HydrophobicContact CG2-CG 4.31Å; T184-L188 WeakPolarHBondContact O-CB 3.18Å; T184-L188 WeakPolarHBondContact O-CG 3.44Å; T184-L188 PolarHBondContact O-N 2.85Å
185	L	98.7	Very high	98	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.6	-41.4	178.7	-63.8	172.9	0	0	0	111.4	L163 I168 L181 I182 L188 G189 A190 W194 A483 L486	L163-L185 HydrophobicContact CD1-CB 4.42Å; L163-L185 HydrophobicContact CD1-CD2 3.51Å; I168-L185 HydrophobicContact CD1-CB 4.24Å; I168-L185 HydrophobicContact CD1-CD1 4.06Å; I168-L185 HydrophobicContact CD1-CD2 4.22Å; I168-L185 HydrophobicContact CD1-CG 4.4Å; L181-L185 HydrophobicContact CD1-CD1 4.13Å; L181-L185 HydrophobicContact CD1-CD2 4.34Å; L181-L185 HydrophobicContact CD1-CG 4.03Å; L181-L185 HydrophobicContact CG-CD1 4.12Å; L181-L185 HydrophobicContact CG-CG 4.43Å; L181-L185 WeakPolarHBondContact O-CG 3.08Å; L181-L185 PolarHBondContact O-N 2.95Å; I182-L185 PolarHBondContact O-N 3.16Å; L185-L188 CarbonylContact O-C 3.01Å; L185-L188 PolarHBondContact O-N 3.46Å; L185-G189 PolarHBondContact O-N 2.91Å; L185-A190 HydrophobicContact CB-CB 4.27Å; L185-A190 VanDerWaalsContact O-CB 3.24Å; L185-A190 WeakPolarHBondContact O-CB 3.4Å; L185-A190 PolarHBondContact O-N 3.37Å; L185-W194 HydrophobicContact CD1-CH2 3.76Å; L185-W194 HydrophobicContact CD1-CZ3 4.03Å; L185-A483 HydrophobicContact CD2-CB 4.34Å; L185-L486 HydrophobicContact CD1-CD1 3.84Å; L185-L486 HydrophobicContact CD2-CD1 3.66Å; L185-L486 HydrophobicContact CG-CD1 4.43Å
186	V	98.5	Very high	98	Very high	67 Å²	67	14.8 Å²	14.8	41%	0.406	9%	0.087	S	C	.	.	H	α-helix	trans	-65.5	-43.6	174.3	174.7	0	0	0	0	111.6	I182 T184 L188 G189 C192	I182-V186 WeakPolarHBondContact O-CG2 3.44Å; I182-V186 PolarHBondContact O-N 3.4Å; T184-V186 VanDerWaalsContact C-N 3.31Å; T184-V186 PolarHBondContact O-N 3.44Å; V186-L188 PolarHBondContact O-N 2.87Å; V186-G189 PolarHBondContact O-N 3.1Å; V186-C192 HydrophobicContact CG2-CB 4.22Å
187	A	98.3	Very high	97.7	Very high	20 Å²	20	15.6 Å²	15.6	17%	0.165	9%	0.092	C	C	.	.	H	α-helix	trans	-61.9	-32.4	174.8	0	0	0	0	0	112.7	R154 Q158 E183 T184 G189	R154-A187 HydrophobicContact CG-CB 3.84Å; Q158-A187 HydrophobicContact CG-CB 4.46Å; E183-A187 WeakPolarHBondContact O-CB 3.47Å; E183-A187 PolarHBondContact O-N 2.97Å; T184-A187 PolarHBondContact O-N 3.48Å; A187-G189 PolarHBondContact O-N 2.88Å
188	L	98.4	Very high	97.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	1.8	173.4	-64.4	170.9	0	0	0	113.7	A157 K161 P162 L163 T184 L185 V186 I487	A157-L188 HydrophobicContact CB-CD2 3.53Å; K161-L188 CarbonylContact C-O 3.59Å; K161-L188 WeakPolarHBondContact CA-O 3.48Å; P162-L188 HydrophobicContact CG-CB 4.34Å; P162-L188 HydrophobicContact CG-CD2 4Å; L163-L188 WeakPolarHBondContact CA-O 3.31Å; L163-L188 HydrophobicContact CB-CB 4.39Å; L163-L188 HydrophobicContact CD1-CB 4.07Å; L163-L188 HydrophobicContact CD1-CD1 4.36Å; L163-L188 HydrophobicContact CG-CB 4.3Å; L163-L188 PolarHBondContact N-O 3.05Å; T184-L188 HydrophobicContact CG2-CD1 3.78Å; T184-L188 HydrophobicContact CG2-CG 4.31Å; T184-L188 WeakPolarHBondContact O-CB 3.18Å; T184-L188 WeakPolarHBondContact O-CG 3.44Å; T184-L188 PolarHBondContact O-N 2.85Å; L185-L188 CarbonylContact O-C 3.01Å; L185-L188 PolarHBondContact O-N 3.46Å; V186-L188 PolarHBondContact O-N 2.87Å; L188-I487 HydrophobicContact CD1-CD1 4.07Å
189	G	98.1	Very high	96.7	Very high	22 Å²	22	18.2 Å²	18.2	23%	0.227	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	104	1.8	170.5	0	0	0	0	0	116.3	L163 L185 V186 A187	L163-G189 CarbonylContact O-C 3.53Å; L163-G189 VanDerWaalsContact O-C 3.26Å; L163-G189 VanDerWaalsContact O-O 3.13Å; L185-G189 PolarHBondContact O-N 2.91Å; V186-G189 PolarHBondContact O-N 3.1Å; A187-G189 PolarHBondContact O-N 2.88Å
190	A	98.5	Very high	96	Very high	7 Å²	7	24 Å²	24	6%	0.058	13%	0.128	C	C	.	.			trans	-74.5	153.6	178.2	0	0	0	0	0	112.8	L163 A166 I168 L185	L163-A190 HydrophobicContact CB-CB 3.92Å; L163-A190 HydrophobicContact CD1-CB 4.33Å; L163-A190 PolarHBondContact O-N 2.91Å; A166-A190 HydrophobicContact CB-CB 4.18Å; I168-A190 HydrophobicContact CD1-CB 3.54Å; I168-A190 HydrophobicContact CG1-CB 4.09Å; L185-A190 HydrophobicContact CB-CB 4.27Å; L185-A190 VanDerWaalsContact O-CB 3.24Å; L185-A190 WeakPolarHBondContact O-CB 3.4Å; L185-A190 PolarHBondContact O-N 3.37Å
191	Q	98.4	Very high	95.3	Very high	97 Å²	97	25.2 Å²	25.2	45%	0.453	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.2	159.1	-61.1	177.5	6.2	0	0	108	A166 K167 I168	A166-Q191 PolarHBondContact O-N 3.19Å; K167-Q191 CarbonylContact C-O 3.54Å; K167-Q191 WeakPolarHBondContact CA-O 3.3Å; K167-Q191 VanDerWaalsContact CE-OE1 3.24Å; K167-Q191 HydrophobicContact CG-CB 4.41Å; I168-Q191 PolarHBondContact N-O 2.8Å
192	C	98.3	Very high	95	Very high	13 Å²	13	25.2 Å²	25.2	9%	0.088	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.4	-175.2	-61.5	0	0	0	0	111.6	I168 I182 V186 W194 V215	I168-C192 WeakPolarHBondContact O-CA 3.44Å; I182-C192 HydrophobicContact CG2-CB 4.34Å; V186-C192 HydrophobicContact CG2-CB 4.22Å; C192-W194 HydrophobicContact CB-CE3 4.15Å; C192-W194 HydrophobicContact CB-CZ3 4.23Å; C192-V215 HydrophobicContact CB-CG1 4.31Å
193	R	98.4	Very high	94.8	Very high	11 Å²	11	27.9 Å²	27.9	4%	0.042	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.2	162.2	-55.5	-175.9	70.5	77.8	-4.7	108	D124 I168 V169 G170 A216 R234 C235 T238 W241	D124-R193 IonicContact OD1-CZ 2.67Å; D124-R193 IonicContact OD1-NH1 3.82Å; D124-R193 PolarHBondContact OD1-NH1 3.38Å; D124-R193 IonicContact OD1-NH2 3.67Å; D124-R193 PolarHBondContact OD1-NH2 2.71Å; D124-R193 IonicContact OD2-CZ 2.86Å; D124-R193 IonicContact OD2-NH1 3.26Å; D124-R193 PolarHBondContact OD2-NH1 2.91Å; D124-R193 IonicContact OD2-NH2 2.71Å; I168-R193 PolarHBondContact O-N 3.04Å; V169-R193 WeakPolarHBondContact CA-O 3.33Å; G170-R193 PolarHBondContact N-O 2.74Å; R193-A216 CarbonylContact C-O 3.56Å; R193-A216 WeakPolarHBondContact CA-O 3.47Å; R193-A216 HydrophobicContact CG-CB 4.15Å; R193-R234 PolarHBondContact NE-O 3.11Å; R193-R234 PolarHBondContact NH2-O 3.06Å; R193-C235 HydrophobicContact CB-CB 4.28Å; R193-C235 WeakPolarHBondContact CD-O 3.49Å; R193-T238 VanDerWaalsContact CZ-OG1 3.3Å; R193-T238 PolarHBondContact NE-OG1 2.85Å; R193-T238 VanDerWaalsContact NE-OG1 3.16Å; R193-T238 PolarHBondContact NH2-OG1 3.35Å; R193-W241 HydrophobicContact CB-CH2 4.2Å; R193-W241 VanDerWaalsContact CD-CZ3 3.41Å; R193-W241 HydrophobicContact CG-CD2 4.37Å; R193-W241 HydrophobicContact CG-CE3 4.27Å; R193-W241 HydrophobicContact CG-CH2 3.73Å; R193-W241 HydrophobicContact CG-CZ2 3.82Å; R193-W241 HydrophobicContact CG-CZ3 3.96Å
194	W	98.6	Very high	94.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	142.1	-169.7	-131.9	-87.3	0	0	0	114.8	I168 G170 T172 I174 T178 I182 L185 C192 A216 V217 F218 C235 L247	I168-W194 HydrophobicContact CG2-CZ3 4.24Å; G170-W194 WeakPolarHBondContact O-CA 3.27Å; T172-W194 HydrophobicContact CG2-CZ2 4.38Å; T172-W194 PolarHBondContact OG1-NE1 2.75Å; I174-W194 HydrophobicContact CD1-CB 4.48Å; T178-W194 HydrophobicContact CG2-CZ2 4.3Å; I182-W194 HydrophobicContact CD1-CB 4.23Å; I182-W194 HydrophobicContact CD1-CD2 3.55Å; I182-W194 HydrophobicContact CD1-CE3 4.02Å; I182-W194 HydrophobicContact CD1-CG 3.68Å; I182-W194 HydrophobicContact CD1-CZ2 4.3Å; I182-W194 HydrophobicContact CG1-CD2 3.68Å; I182-W194 HydrophobicContact CG1-CE3 3.69Å; I182-W194 HydrophobicContact CG1-CG 4.35Å; I182-W194 HydrophobicContact CG1-CH2 3.83Å; I182-W194 HydrophobicContact CG1-CZ2 3.85Å; I182-W194 HydrophobicContact CG1-CZ3 3.77Å; L185-W194 HydrophobicContact CD1-CH2 3.76Å; L185-W194 HydrophobicContact CD1-CZ3 4.03Å; C192-W194 HydrophobicContact CB-CE3 4.15Å; C192-W194 HydrophobicContact CB-CZ3 4.23Å; W194-A216 PolarHBondContact N-O 3.47Å; W194-V217 HydrophobicContact CB-CG2 4.31Å; W194-V217 WeakPolarHBondContact O-CA 3.46Å; W194-F218 PolarHBondContact O-N 3.47Å; W194-C235 PolarHBondContact O-SG 3.37Å; W194-L247 HydrophobicContact CH2-CD2 3.74Å; W194-L247 HydrophobicContact CZ2-CD2 3.79Å
195	T	98.3	Very high	94.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	160.6	174.4	-178.6	0	0	0	0	110.1	G170 C171 T172 F218 C231 I232	G170-T195 WeakPolarHBondContact O-CG2 3.37Å; G170-T195 PolarHBondContact O-N 3.08Å; C171-T195 WeakPolarHBondContact CA-O 3.35Å; C171-T195 HydrophobicContact CB-CG2 3.79Å; T172-T195 PolarHBondContact N-O 3.3Å; T195-F218 WeakPolarHBondContact CA-O 3.5Å; T195-F218 PolarHBondContact OG1-O 2.91Å; T195-C231 WeakPolarHBondContact OG1-CB 3.35Å; T195-I232 HydrophobicContact CG2-CG1 3.79Å
196	A	95.3	Very high	94.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	146	170.9	0	0	0	0	0	111.2	T172 T202 A219 F228	T172-A196 WeakPolarHBondContact O-CA 3.21Å; A196-T202 WeakPolarHBondContact CB-OG1 3.49Å; A196-A219 HydrophobicContact CB-CB 4.12Å; A196-F228 VanDerWaalsContact O-CE2 3.31Å; A196-F228 WeakPolarHBondContact O-CE2 3.41Å
197	C	90.6	Very high	94.6	Very high	20 Å²	20	26.3 Å²	26.3	14%	0.135	14%	0.138	C	C	.	.	S	Bend	trans	-86.2	-8.3	163.4	67	0	0	0	0	113	T172 H173 D249	T172-C197 PolarHBondContact O-N 3.08Å; T172-C197 VanDerWaalsContact O-N 3.12Å; H173-C197 PolarHBondContact CE1-SG 3.36Å; H173-C197 PolarHBondContact N-SG 2.85Å; H173-C197 PolarHBondContact ND1-SG 2.74Å; C197-D249 HydrophobicContact CB-CB 4.31Å; C197-D249 VanDerWaalsContact CB-O 3.28Å; C197-D249 WeakPolarHBondContact CB-O 3.45Å; C197-D249 PolarHBondContact SG-OD2 3.28Å
198	N	86.6	Confident	94.6	Very high	61 Å²	61	25.3 Å²	25.3	33%	0.326	13%	0.131	S	C	.	.	S	Bend	trans	-152.2	124.8	-177.6	-178.3	-67.9	0	0	0	111.9	Y200 S201	N198-Y200 PolarHBondContact O-N 2.85Å; N198-Y200 PolarHBondContact OD1-N 3.45Å; N198-S201 WeakPolarHBondContact O-CB 3.38Å; N198-S201 PolarHBondContact O-N 2.6Å; N198-S201 PolarHBondContact O-OG 2.84Å
199	I	84.8	Confident	94.6	Very high	35 Å²	35	25.4 Å²	25.4	18%	0.179	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-17.3	-174.8	63	175.5	0	0	0	116.4	G222 E223 F228	I199-G222 PolarHBondContact O-N 2.85Å; I199-E223 HydrophobicContact CB-CB 3.84Å; I199-E223 WeakPolarHBondContact CB-O 3.4Å; I199-E223 HydrophobicContact CG2-CB 3.69Å; I199-E223 PolarHBondContact O-N 2.84Å; I199-F228 HydrophobicContact CG2-CB 3.86Å; I199-F228 HydrophobicContact CG2-CD2 4.04Å; I199-F228 HydrophobicContact CG2-CG 4.17Å
200	Y	82.3	Confident	94.6	Very high	121 Å²	121	24.3 Å²	24.3	48%	0.475	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-7.8	178.7	-55.1	-55.4	0	0	0	113.9	N198 K221	N198-Y200 PolarHBondContact O-N 2.85Å; N198-Y200 PolarHBondContact OD1-N 3.45Å; Y200-K221 WeakPolarHBondContact O-CE 3.42Å
201	S	84.8	Confident	94.6	Very high	26 Å²	26	24 Å²	24	18%	0.182	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-17.5	-169.6	66.9	0	0	0	0	115.2	H173 N198 Q203	H173-S201 WeakPolarHBondContact ND1-CB 3.5Å; H173-S201 PolarHBondContact ND1-OG 3.43Å; N198-S201 WeakPolarHBondContact O-CB 3.38Å; N198-S201 PolarHBondContact O-N 2.6Å; N198-S201 PolarHBondContact O-OG 2.84Å; S201-Q203 PolarHBondContact O-N 2.98Å
202	T	93.3	Very high	94.6	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.018	10%	0.104	C	C	.	.			trans	-66.8	125.4	-175.7	-53.2	0	0	0	0	112.3	I174 A196 N204 A207 A219 W220 K221	I174-T202 HydrophobicContact CB-CG2 4.26Å; I174-T202 HydrophobicContact CG2-CG2 4.45Å; A196-T202 WeakPolarHBondContact CB-OG1 3.49Å; T202-N204 PolarHBondContact O-N 3.33Å; T202-A207 HydrophobicContact CG2-CB 4.05Å; T202-A219 HydrophobicContact CG2-CB 3.98Å; T202-W220 VanDerWaalsContact CB-C 3.44Å; T202-W220 WeakPolarHBondContact CB-O 3.2Å; T202-W220 PolarHBondContact OG1-O 3.38Å; T202-K221 WeakPolarHBondContact O-CB 3.4Å
203	Q	94.4	Very high	94.5	Very high	56 Å²	56	27.1 Å²	27.1	26%	0.262	13%	0.125	S	C	.	.			trans	-81.3	104.5	161.2	-78.2	178.8	-25.9	0	0	108.3	I174 S201 E205 V206 A207	I174-Q203 PolarHBondContact O-N 3.21Å; S201-Q203 PolarHBondContact O-N 2.98Å; Q203-E205 VanDerWaalsContact C-N 3.3Å; Q203-E205 WeakPolarHBondContact CB-OE1 3.3Å; Q203-E205 WeakPolarHBondContact CG-OE1 3.17Å; Q203-E205 PolarHBondContact O-N 2.81Å; Q203-V206 HydrophobicContact CB-CB 3.86Å; Q203-V206 HydrophobicContact CB-CG2 3.82Å; Q203-V206 PolarHBondContact O-N 3.05Å; Q203-V206 VanDerWaalsContact O-N 3.09Å; Q203-A207 PolarHBondContact O-N 3.49Å
204	N	96.7	Very high	94.4	Very high	26 Å²	26	29 Å²	29	14%	0.139	15%	0.147	C	C	.	.	H	α-helix	trans	-59.6	-42	-171.2	-76.8	-36.2	0	0	0	111.9	K128 T202 A207 A208 W220 K221	K128-N204 HydrophobicContact CB-CB 4.26Å; T202-N204 PolarHBondContact O-N 3.33Å; N204-A207 PolarHBondContact O-N 2.87Å; N204-A208 WeakPolarHBondContact O-CB 3.34Å; N204-A208 PolarHBondContact O-N 3.22Å; N204-W220 WeakPolarHBondContact OD1-CA 3.48Å; N204-K221 PolarHBondContact OD1-N 3.41Å
205	E	97.5	Very high	94.3	Very high	34 Å²	34	29.6 Å²	29.6	16%	0.159	15%	0.151	C	C	.	.	H	α-helix	trans	-60.2	-40.7	174.8	59.8	-72.4	164.1	0	0	112.7	Q132 F135 G136 Q203 A208 A209	Q132-E205 HydrophobicContact CB-CB 3.96Å; F135-E205 HydrophobicContact CB-CB 4.49Å; F135-E205 HydrophobicContact CD1-CB 3.74Å; F135-E205 HydrophobicContact CD1-CG 3.68Å; F135-E205 HydrophobicContact CE1-CB 4.48Å; F135-E205 HydrophobicContact CE1-CG 3.95Å; G136-E205 WeakPolarHBondContact CA-O 3.49Å; Q203-E205 VanDerWaalsContact C-N 3.3Å; Q203-E205 WeakPolarHBondContact CB-OE1 3.3Å; Q203-E205 WeakPolarHBondContact CG-OE1 3.17Å; Q203-E205 PolarHBondContact O-N 2.81Å; E205-A208 WeakPolarHBondContact O-CB 3.44Å; E205-A208 PolarHBondContact O-N 2.79Å; E205-A209 PolarHBondContact O-N 2.94Å
206	V	98	Very high	94.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-73	-40.5	177	175	0	0	0	0	111.1	E139 I140 A176 A179 Q203 A208 A209 L210	E139-V206 HydrophobicContact CB-CG2 4.27Å; I140-V206 HydrophobicContact CD1-CG1 4.15Å; I140-V206 HydrophobicContact CG1-CG1 4.11Å; I140-V206 HydrophobicContact CG1-CG2 4.43Å; A176-V206 HydrophobicContact CB-CG2 4.12Å; A179-V206 HydrophobicContact CB-CG1 3.58Å; Q203-V206 HydrophobicContact CB-CB 3.86Å; Q203-V206 HydrophobicContact CB-CG2 3.82Å; Q203-V206 PolarHBondContact O-N 3.05Å; Q203-V206 VanDerWaalsContact O-N 3.09Å; V206-A208 VanDerWaalsContact C-N 3.28Å; V206-A208 PolarHBondContact O-N 2.96Å; V206-A209 PolarHBondContact O-N 3.26Å; V206-A209 VanDerWaalsContact O-N 3.16Å; V206-L210 HydrophobicContact CG1-CD1 4.42Å; V206-L210 PolarHBondContact O-N 3.32Å
207	A	98.1	Very high	94.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59	-41.6	172.6	0	0	0	0	0	111.2	V127 I174 T202 Q203 N204 L210 A211 V217	V127-A207 HydrophobicContact CB-CB 4.34Å; V127-A207 HydrophobicContact CG1-CB 3.85Å; I174-A207 HydrophobicContact CG2-CB 4.27Å; T202-A207 HydrophobicContact CG2-CB 4.05Å; Q203-A207 PolarHBondContact O-N 3.49Å; N204-A207 PolarHBondContact O-N 2.87Å; A207-L210 PolarHBondContact O-N 3.02Å; A207-A211 WeakPolarHBondContact O-CB 3.35Å; A207-A211 PolarHBondContact O-N 3.28Å; A207-V217 HydrophobicContact CB-CG1 4.15Å
208	A	98.1	Very high	94.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.5	-42.7	172.5	0	0	0	0	0	112.8	V127 N129 I130 Q132 N204 E205 V206 L210 A211 E212	V127-A208 HydrophobicContact CG2-CB 4.5Å; N129-A208 WeakPolarHBondContact O-CB 3.47Å; I130-A208 WeakPolarHBondContact CD1-O 3.26Å; Q132-A208 HydrophobicContact CB-CB 4.3Å; N204-A208 WeakPolarHBondContact O-CB 3.34Å; N204-A208 PolarHBondContact O-N 3.22Å; E205-A208 WeakPolarHBondContact O-CB 3.44Å; E205-A208 PolarHBondContact O-N 2.79Å; V206-A208 VanDerWaalsContact C-N 3.28Å; V206-A208 PolarHBondContact O-N 2.96Å; A208-L210 PolarHBondContact O-N 2.95Å; A208-A211 PolarHBondContact O-N 3.28Å; A208-E212 WeakPolarHBondContact O-CB 3.43Å; A208-E212 PolarHBondContact O-N 3.36Å
209	A	98.5	Very high	95.2	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-63.7	-37.7	177.1	0	0	0	0	0	112.9	R137 I140 E205 V206 R213	R137-A209 HydrophobicContact CB-CB 4.47Å; I140-A209 HydrophobicContact CD1-CB 3.75Å; E205-A209 PolarHBondContact O-N 2.94Å; V206-A209 PolarHBondContact O-N 3.26Å; V206-A209 VanDerWaalsContact O-N 3.16Å; A209-R213 WeakPolarHBondContact O-CB 3.47Å; A209-R213 VanDerWaalsContact O-CG 3.25Å; A209-R213 WeakPolarHBondContact O-CG 3.2Å; A209-R213 PolarHBondContact O-N 3.46Å
210	L	98.3	Very high	95.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.7	-44.8	173.6	-74.1	171.1	0	0	0	112.5	I174 A179 I182 E183 V206 A207 A208 E212 R213 G214 V215 V217	I174-L210 HydrophobicContact CG2-CD1 4.3Å; A179-L210 HydrophobicContact CB-CD1 3.89Å; A179-L210 HydrophobicContact CB-CD2 3.77Å; A179-L210 HydrophobicContact CB-CG 3.88Å; I182-L210 HydrophobicContact CB-CD2 4.18Å; I182-L210 HydrophobicContact CD1-CD1 3.66Å; I182-L210 HydrophobicContact CD1-CD2 4.33Å; I182-L210 HydrophobicContact CG2-CD2 3.94Å; E183-L210 HydrophobicContact CG-CD2 4.45Å; V206-L210 HydrophobicContact CG1-CD1 4.42Å; V206-L210 PolarHBondContact O-N 3.32Å; A207-L210 PolarHBondContact O-N 3.02Å; A208-L210 PolarHBondContact O-N 2.95Å; L210-E212 VanDerWaalsContact C-N 3.33Å; L210-E212 PolarHBondContact O-N 2.79Å; L210-R213 PolarHBondContact O-N 3.26Å; L210-G214 PolarHBondContact O-N 3.41Å; L210-G214 VanDerWaalsContact O-N 3.08Å; L210-V215 HydrophobicContact CB-CB 4.39Å; L210-V215 HydrophobicContact CD2-CG2 4.31Å; L210-V215 PolarHBondContact O-N 3.26Å; L210-V217 HydrophobicContact CB-CG2 3.7Å; L210-V217 HydrophobicContact CD1-CG2 4.13Å
211	A	97.9	Very high	96.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.1	-39.9	175.7	0	0	0	0	0	112.2	N118 F125 V127 I130 A207 A208 G214 V215	N118-A211 PolarHBondContact ND2-O 3.16Å; F125-A211 HydrophobicContact CB-CB 3.98Å; F125-A211 HydrophobicContact CD1-CB 3.96Å; F125-A211 HydrophobicContact CD2-CB 3.76Å; F125-A211 HydrophobicContact CE1-CB 4.33Å; F125-A211 HydrophobicContact CE2-CB 4.16Å; F125-A211 HydrophobicContact CG-CB 3.64Å; F125-A211 HydrophobicContact CZ-CB 4.43Å; V127-A211 HydrophobicContact CG1-CB 4.25Å; I130-A211 HydrophobicContact CD1-CB 3.76Å; A207-A211 WeakPolarHBondContact O-CB 3.35Å; A207-A211 PolarHBondContact O-N 3.28Å; A208-A211 PolarHBondContact O-N 3.28Å; A211-G214 WeakPolarHBondContact O-CA 3.46Å; A211-G214 PolarHBondContact O-N 3Å; A211-G214 VanDerWaalsContact O-N 3.11Å; A211-V215 WeakPolarHBondContact CA-O 3.43Å
212	E	97.9	Very high	96.3	Very high	36 Å²	36	26.5 Å²	26.5	17%	0.168	14%	0.144	C	C	.	.	H	α-helix	trans	-67.9	-39.5	175.3	-178	51.3	-125.8	0	0	112.3	N118 S119 I130 T133 A208 L210 G214	N118-E212 WeakPolarHBondContact CA-OE2 3.47Å; N118-E212 VanDerWaalsContact CB-OE2 3.29Å; N118-E212 WeakPolarHBondContact CB-OE2 3.43Å; S119-E212 WeakPolarHBondContact CB-OE1 3.38Å; S119-E212 PolarHBondContact N-OE1 3.01Å; S119-E212 PolarHBondContact N-OE2 2.77Å; S119-E212 PolarHBondContact OG-OE1 3.31Å; I130-E212 HydrophobicContact CD1-CB 4.15Å; T133-E212 HydrophobicContact CG2-CB 4.41Å; T133-E212 HydrophobicContact CG2-CG 4.15Å; T133-E212 VanDerWaalsContact OG1-CB 3.28Å; T133-E212 WeakPolarHBondContact OG1-CB 3.5Å; T133-E212 WeakPolarHBondContact OG1-CG 3.41Å; A208-E212 WeakPolarHBondContact O-CB 3.43Å; A208-E212 PolarHBondContact O-N 3.36Å; L210-E212 VanDerWaalsContact C-N 3.33Å; L210-E212 PolarHBondContact O-N 2.79Å; E212-G214 PolarHBondContact O-N 3.21Å
213	R	95.9	Very high	96.1	Very high	139 Å²	139	26.6 Å²	26.6	53%	0.525	15%	0.145	S	C	.	.	H	α-helix	trans	-61	-24.6	170.4	-74.5	-81.7	174.3	171.7	2.4	112.2	K120 E183 A209 L210	K120-R213 PolarHBondContact NZ-O 3.19Å; E183-R213 WeakPolarHBondContact OE1-CD 3.42Å; E183-R213 WeakPolarHBondContact OE1-CG 3.17Å; E183-R213 IonicContact OE1-NE 2.68Å; A209-R213 WeakPolarHBondContact O-CB 3.47Å; A209-R213 VanDerWaalsContact O-CG 3.25Å; A209-R213 WeakPolarHBondContact O-CG 3.2Å; A209-R213 PolarHBondContact O-N 3.46Å; L210-R213 PolarHBondContact O-N 3.26Å
214	G	95.8	Very high	95.9	Very high	50 Å²	50	26.6 Å²	26.6	52%	0.515	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.6	21.5	176.8	0	0	0	0	0	113.7	L210 A211 E212	L210-G214 PolarHBondContact O-N 3.41Å; L210-G214 VanDerWaalsContact O-N 3.08Å; A211-G214 WeakPolarHBondContact O-CA 3.46Å; A211-G214 PolarHBondContact O-N 3Å; A211-G214 VanDerWaalsContact O-N 3.11Å; E212-G214 PolarHBondContact O-N 3.21Å
215	V	97.1	Very high	95.4	Very high	14 Å²	14	32.6 Å²	32.6	9%	0.085	18%	0.178	C	C	.	.			trans	-82.2	133.7	165.8	-177	0	0	0	0	108	I182 C192 L210 A211 V217	I182-V215 HydrophobicContact CG2-CB 4.42Å; I182-V215 HydrophobicContact CG2-CG1 3.87Å; I182-V215 HydrophobicContact CG2-CG2 3.8Å; C192-V215 HydrophobicContact CB-CG1 4.31Å; L210-V215 HydrophobicContact CB-CB 4.39Å; L210-V215 HydrophobicContact CD2-CG2 4.31Å; L210-V215 PolarHBondContact O-N 3.26Å; A211-V215 WeakPolarHBondContact CA-O 3.43Å; V215-V217 HydrophobicContact CB-CG2 4.2Å; V215-V217 HydrophobicContact CG1-CG2 3.89Å; V215-V217 PolarHBondContact O-N 3.5Å
216	A	97.7	Very high	95.2	Very high	7 Å²	7	37.1 Å²	37.1	6%	0.058	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	97.1	176.8	0	0	0	0	0	110	D124 R193 W194 F218	D124-A216 VanDerWaalsContact O-CA 3.24Å; D124-A216 WeakPolarHBondContact O-CA 3.19Å; D124-A216 WeakPolarHBondContact O-CB 3.31Å; R193-A216 CarbonylContact C-O 3.56Å; R193-A216 WeakPolarHBondContact CA-O 3.47Å; R193-A216 HydrophobicContact CG-CB 4.15Å; W194-A216 PolarHBondContact N-O 3.47Å; A216-F218 HydrophobicContact CB-CE2 4.1Å
217	V	98.1	Very high	95.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.5	-178.9	179	0	0	0	0	110	F125 C126 V127 I174 W194 A207 L210 V215 A219	F125-V217 CarbonylContact C-O 3.54Å; F125-V217 WeakPolarHBondContact CA-O 3.3Å; F125-V217 VanDerWaalsContact CB-O 3.29Å; F125-V217 WeakPolarHBondContact CB-O 3.29Å; C126-V217 PolarHBondContact N-O 3.12Å; V127-V217 HydrophobicContact CG1-CB 4.46Å; V127-V217 HydrophobicContact CG1-CG1 4.32Å; I174-V217 HydrophobicContact CD1-CG1 3.68Å; W194-V217 HydrophobicContact CB-CG2 4.31Å; W194-V217 WeakPolarHBondContact O-CA 3.46Å; A207-V217 HydrophobicContact CB-CG1 4.15Å; L210-V217 HydrophobicContact CB-CG2 3.7Å; L210-V217 HydrophobicContact CD1-CG2 4.13Å; V215-V217 HydrophobicContact CB-CG2 4.2Å; V215-V217 HydrophobicContact CG1-CG2 3.89Å; V215-V217 PolarHBondContact O-N 3.5Å; V217-A219 HydrophobicContact CG1-CB 4.18Å
218	F	98	Very high	94.9	Very high	10 Å²	10	39 Å²	39	4%	0.044	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	91.4	174.7	-62.9	-94.8	0	0	0	107.1	C126 W194 T195 A216 W230 C231 R234	C126-F218 HydrophobicContact CB-CD1 3.57Å; C126-F218 HydrophobicContact CB-CE1 4.14Å; C126-F218 HydrophobicContact CB-CG 4.41Å; C126-F218 WeakPolarHBondContact O-CA 3.37Å; W194-F218 PolarHBondContact O-N 3.47Å; T195-F218 WeakPolarHBondContact CA-O 3.5Å; T195-F218 PolarHBondContact OG1-O 2.91Å; A216-F218 HydrophobicContact CB-CE2 4.1Å; F218-W230 HydrophobicContact CD1-CH2 4.21Å; F218-W230 AromaticContact CD1-CZ3 3.99Å; F218-W230 HydrophobicContact CD1-CZ3 3.99Å; F218-C231 HydrophobicContact CB-CB 3.91Å; F218-C231 VanDerWaalsContact O-CB 3.29Å; F218-C231 WeakPolarHBondContact O-CB 3.46Å; F218-C231 PolarHBondContact O-SG 2.99Å; F218-R234 HydrophobicContact CB-CB 4.43Å; F218-R234 HydrophobicContact CD1-CB 3.55Å; F218-R234 HydrophobicContact CD1-CG 4.01Å; F218-R234 HydrophobicContact CD2-CB 4.02Å; F218-R234 HydrophobicContact CE1-CB 3.74Å; F218-R234 HydrophobicContact CE1-CG 4.13Å; F218-R234 HydrophobicContact CE2-CB 4.18Å; F218-R234 HydrophobicContact CG-CB 3.72Å; F218-R234 HydrophobicContact CZ-CB 4.06Å
219	A	97	Very high	94.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.			trans	-167.5	148.3	-179	0	0	0	0	0	112.8	C126 V127 I174 A196 T202 V217 E223	C126-A219 PolarHBondContact O-N 3Å; V127-A219 WeakPolarHBondContact CA-O 3.4Å; I174-A219 HydrophobicContact CD1-CB 3.6Å; I174-A219 HydrophobicContact CG1-CB 4.46Å; A196-A219 HydrophobicContact CB-CB 4.12Å; T202-A219 HydrophobicContact CG2-CB 3.98Å; V217-A219 HydrophobicContact CG1-CB 4.18Å; A219-E223 WeakPolarHBondContact CA-OE1 3.36Å
220	W	96.4	Very high	94.7	Very high	9 Å²	9	45 Å²	45	3%	0.034	24%	0.235	C	C	.	.			trans	-151.7	171.3	164.6	55.7	95.9	0	0	0	111.4	P111 R112 C126 K128 T202 N204 E223 D227 W230 C231	P111-W220 HydrophobicContact CB-CD2 4.05Å; P111-W220 HydrophobicContact CB-CE3 3.97Å; P111-W220 HydrophobicContact CB-CZ3 4.29Å; P111-W220 HydrophobicContact CG-CB 4.41Å; P111-W220 HydrophobicContact CG-CD2 3.64Å; P111-W220 HydrophobicContact CG-CE3 4.09Å; P111-W220 HydrophobicContact CG-CG 3.78Å; P111-W220 HydrophobicContact CG-CZ2 4.4Å; R112-W220 HydrophobicContact CG-CH2 3.63Å; R112-W220 HydrophobicContact CG-CZ2 4.3Å; R112-W220 HydrophobicContact CG-CZ3 4.42Å; C126-W220 HydrophobicContact CB-CZ3 4.24Å; C126-W220 WeakPolarHBondContact SG-CZ3 3.34Å; K128-W220 HydrophobicContact CB-CB 3.96Å; T202-W220 VanDerWaalsContact CB-C 3.44Å; T202-W220 WeakPolarHBondContact CB-O 3.2Å; T202-W220 PolarHBondContact OG1-O 3.38Å; N204-W220 WeakPolarHBondContact OD1-CA 3.48Å; W220-E223 HydrophobicContact CD2-CG 3.87Å; W220-E223 HydrophobicContact CE3-CG 4.46Å; W220-E223 HydrophobicContact CG-CG 4.09Å; W220-E223 HydrophobicContact CZ2-CG 4.14Å; W220-E223 PolarHBondContact N-OE1 3Å; W220-E223 VanDerWaalsContact O-OE1 3.08Å; W220-D227 HydrophobicContact CH2-CB 3.92Å; W220-D227 HydrophobicContact CZ2-CB 3.57Å; W220-D227 VanDerWaalsContact CZ2-CG 3.48Å; W220-W230 HydrophobicContact CZ3-CZ3 4.49Å; W220-C231 VanDerWaalsContact CZ3-SG 3.56Å
221	K	90.8	Very high	94.7	Very high	126 Å²	126	45 Å²	45	55%	0.548	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	128.8	173.1	-161.3	171.3	-175.5	173.5	0	110.1	Y200 T202 N204	Y200-K221 WeakPolarHBondContact O-CE 3.42Å; T202-K221 WeakPolarHBondContact O-CB 3.4Å; N204-K221 PolarHBondContact OD1-N 3.41Å
222	G	86.1	Confident	94.7	Very high	45 Å²	45	45 Å²	45	46%	0.464	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	37.5	-176.9	0	0	0	0	0	113.5	I199	I199-G222 PolarHBondContact O-N 2.85Å
223	E	89.3	Confident	94.7	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.028	23%	0.234	C	C	.	.			trans	-61.9	144.1	166.8	-75.5	160.9	-155.6	0	0	111.2	I199 A219 W220 D227	I199-E223 HydrophobicContact CB-CB 3.84Å; I199-E223 WeakPolarHBondContact CB-O 3.4Å; I199-E223 HydrophobicContact CG2-CB 3.69Å; I199-E223 PolarHBondContact O-N 2.84Å; A219-E223 WeakPolarHBondContact CA-OE1 3.36Å; W220-E223 HydrophobicContact CD2-CG 3.87Å; W220-E223 HydrophobicContact CE3-CG 4.46Å; W220-E223 HydrophobicContact CG-CG 4.09Å; W220-E223 HydrophobicContact CZ2-CG 4.14Å; W220-E223 PolarHBondContact N-OE1 3Å; W220-E223 VanDerWaalsContact O-OE1 3.08Å; E223-D227 HydrophobicContact CB-CB 4.03Å; E223-D227 HydrophobicContact CG-CB 4.19Å
224	S	90.5	Very high	94.7	Very high	55 Å²	55	43.7 Å²	43.7	39%	0.385	23%	0.23	S	C	.	.			trans	-78.2	167.6	161.6	70.1	0	0	0	0	111.1	D226 D227 F228	S224-D226 PolarHBondContact O-N 2.93Å; S224-D227 WeakPolarHBondContact CB-OD2 3.28Å; S224-D227 PolarHBondContact N-OD2 3.4Å; S224-D227 WeakPolarHBondContact O-CB 3.35Å; S224-D227 PolarHBondContact O-N 2.93Å; S224-D227 VanDerWaalsContact O-N 3.1Å; S224-D227 PolarHBondContact OG-N 2.72Å; S224-D227 PolarHBondContact OG-OD2 3.39Å; S224-F228 PolarHBondContact O-N 2.73Å
225	E	86.1	Confident	94.7	Very high	152 Å²	152	41.3 Å²	41.3	71%	0.71	21%	0.206	S	C	*	.	H	α-helix	trans	-60.3	-35.4	175.2	-62.3	-171	171.4	0	0	112.1	W229	E225-W229 PolarHBondContact O-N 2.81Å
226	D	94	Very high	94.6	Very high	130 Å²	130	40.8 Å²	40.8	70%	0.695	20%	0.202	S	C	*	.	H	α-helix	trans	-70.1	-31.9	174.8	-80.6	-30.7	0	0	0	112.7	S224 W230	S224-D226 PolarHBondContact O-N 2.93Å; D226-W230 VanDerWaalsContact O-CB 3.24Å; D226-W230 WeakPolarHBondContact O-CB 3.28Å; D226-W230 PolarHBondContact O-N 2.82Å; D226-W230 VanDerWaalsContact O-N 3.15Å
227	D	95.6	Very high	94.4	Very high	19 Å²	19	44.7 Å²	44.7	10%	0.102	22%	0.222	C	C	.	.	H	α-helix	trans	-70.6	-46.7	175.1	-64.3	-49.2	0	0	0	111.5	R112 W220 E223 S224 W229 W230 C231	R112-D227 WeakPolarHBondContact CD-OD1 3.42Å; R112-D227 IonicContact CZ-OD1 2.9Å; R112-D227 IonicContact NE-OD1 3.84Å; R112-D227 IonicContact NH1-OD1 2.69Å; R112-D227 PolarHBondContact NH1-OD1 2.82Å; W220-D227 HydrophobicContact CH2-CB 3.92Å; W220-D227 HydrophobicContact CZ2-CB 3.57Å; W220-D227 VanDerWaalsContact CZ2-CG 3.48Å; E223-D227 HydrophobicContact CB-CB 4.03Å; E223-D227 HydrophobicContact CG-CB 4.19Å; S224-D227 WeakPolarHBondContact CB-OD2 3.28Å; S224-D227 PolarHBondContact N-OD2 3.4Å; S224-D227 WeakPolarHBondContact O-CB 3.35Å; S224-D227 PolarHBondContact O-N 2.93Å; S224-D227 VanDerWaalsContact O-N 3.1Å; S224-D227 PolarHBondContact OG-N 2.72Å; S224-D227 PolarHBondContact OG-OD2 3.39Å; D227-W229 VanDerWaalsContact C-N 3.35Å; D227-W229 PolarHBondContact O-N 2.65Å; D227-W230 CarbonylContact O-C 3.57Å; D227-W230 WeakPolarHBondContact O-CA 3.46Å; D227-W230 WeakPolarHBondContact O-CB 3.33Å; D227-W230 PolarHBondContact O-N 3.11Å; D227-C231 WeakPolarHBondContact O-CB 3.4Å; D227-C231 PolarHBondContact O-N 3.34Å; D227-C231 PolarHBondContact O-SG 2.98Å; D227-C231 VanDerWaalsContact O-SG 3.35Å
228	F	93.9	Very high	94	Very high	19 Å²	19	46.3 Å²	46.3	8%	0.083	23%	0.233	C	C	.	.	H	α-helix	trans	-52.2	-51.6	177.2	173.7	-104.3	0	0	0	111.8	A196 I199 S224 W230 C231 I232	A196-F228 VanDerWaalsContact O-CE2 3.31Å; A196-F228 WeakPolarHBondContact O-CE2 3.41Å; I199-F228 HydrophobicContact CG2-CB 3.86Å; I199-F228 HydrophobicContact CG2-CD2 4.04Å; I199-F228 HydrophobicContact CG2-CG 4.17Å; S224-F228 PolarHBondContact O-N 2.73Å; F228-W230 VanDerWaalsContact C-N 3.34Å; F228-W230 PolarHBondContact O-N 3.07Å; F228-C231 PolarHBondContact O-N 3.37Å; F228-I232 HydrophobicContact CD1-CD1 4.05Å; F228-I232 HydrophobicContact CE1-CD1 3.62Å; F228-I232 HydrophobicContact CE2-CD1 4.18Å; F228-I232 HydrophobicContact CZ-CD1 3.7Å; F228-I232 WeakPolarHBondContact O-CG1 3.42Å; F228-I232 PolarHBondContact O-N 2.86Å; F228-I232 VanDerWaalsContact O-N 3.1Å
229	W	96.2	Very high	93.5	Very high	77 Å²	77	55.2 Å²	55.2	29%	0.292	27%	0.274	S	S	.	.	H	α-helix	trans	-68.3	-30.7	177.5	-71.6	123.2	0	0	0	113.3	E225 D227 I232 D233 D252 W256	E225-W229 PolarHBondContact O-N 2.81Å; D227-W229 VanDerWaalsContact C-N 3.35Å; D227-W229 PolarHBondContact O-N 2.65Å; W229-I232 HydrophobicContact CE3-CD1 3.62Å; W229-I232 HydrophobicContact CZ3-CD1 3.74Å; W229-D233 PolarHBondContact O-N 3.17Å; W229-D233 VanDerWaalsContact O-N 3.1Å; W229-D252 HydrophobicContact CH2-CB 3.93Å; W229-D252 HydrophobicContact CZ3-CB 4.18Å; W229-W256 HydrophobicContact CB-CH2 3.61Å; W229-W256 HydrophobicContact CB-CZ2 4.36Å; W229-W256 HydrophobicContact CB-CZ3 3.92Å; W229-W256 HydrophobicContact CD2-CE3 4.01Å; W229-W256 HydrophobicContact CD2-CH2 4.25Å; W229-W256 AromaticContact CD2-CZ3 3.59Å; W229-W256 HydrophobicContact CD2-CZ3 3.59Å; W229-W256 AromaticContact CE3-CD2 3.99Å; W229-W256 HydrophobicContact CE3-CD2 3.99Å; W229-W256 AromaticContact CE3-CE3 3.23Å; W229-W256 HydrophobicContact CE3-CE3 3.23Å; W229-W256 HydrophobicContact CE3-CH2 4.1Å; W229-W256 AromaticContact CE3-CZ3 3.31Å; W229-W256 HydrophobicContact CE3-CZ3 3.31Å; W229-W256 HydrophobicContact CG-CH2 4.08Å; W229-W256 AromaticContact CG-CZ3 3.86Å; W229-W256 HydrophobicContact CG-CZ3 3.86Å; W229-W256 HydrophobicContact CZ3-CD2 4.38Å; W229-W256 AromaticContact CZ3-CE3 3.61Å; W229-W256 HydrophobicContact CZ3-CE3 3.61Å; W229-W256 HydrophobicContact CZ3-CZ3 4.08Å; W229-W256 WeakPolarHBondContact O-CZ2 3.46Å
230	W	97.2	Very high	93.2	Very high	52 Å²	52	58.9 Å²	58.9	20%	0.197	31%	0.312	C	S	.	.	H	α-helix	trans	-69.5	-39.4	173.5	178.6	96.6	0	0	0	112.1	R112 C126 F218 W220 D226 D227 F228 D233 R234	R112-W230 HydrophobicContact CG-CD2 4.35Å; R112-W230 HydrophobicContact CG-CE3 3.99Å; R112-W230 HydrophobicContact CG-CH2 3.85Å; R112-W230 HydrophobicContact CG-CZ2 4.19Å; R112-W230 HydrophobicContact CG-CZ3 3.74Å; C126-W230 HydrophobicContact CB-CH2 4.06Å; C126-W230 HydrophobicContact CB-CZ3 3.89Å; F218-W230 HydrophobicContact CD1-CH2 4.21Å; F218-W230 AromaticContact CD1-CZ3 3.99Å; F218-W230 HydrophobicContact CD1-CZ3 3.99Å; W220-W230 HydrophobicContact CZ3-CZ3 4.49Å; D226-W230 VanDerWaalsContact O-CB 3.24Å; D226-W230 WeakPolarHBondContact O-CB 3.28Å; D226-W230 PolarHBondContact O-N 2.82Å; D226-W230 VanDerWaalsContact O-N 3.15Å; D227-W230 CarbonylContact O-C 3.57Å; D227-W230 WeakPolarHBondContact O-CA 3.46Å; D227-W230 WeakPolarHBondContact O-CB 3.33Å; D227-W230 PolarHBondContact O-N 3.11Å; F228-W230 VanDerWaalsContact C-N 3.34Å; F228-W230 PolarHBondContact O-N 3.07Å; W230-D233 PolarHBondContact O-N 3.37Å; W230-R234 HydrophobicContact CD2-CG 3.91Å; W230-R234 HydrophobicContact CE3-CG 4.01Å; W230-R234 HydrophobicContact CH2-CG 3.95Å; W230-R234 HydrophobicContact CZ2-CG 3.85Å; W230-R234 HydrophobicContact CZ3-CG 4.02Å; W230-R234 VanDerWaalsContact O-CG 3.26Å; W230-R234 WeakPolarHBondContact O-CG 3.4Å; W230-R234 PolarHBondContact O-N 3.39Å
231	C	97.8	Very high	93.1	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-45.1	175.1	-73.8	0	0	0	0	111.8	T195 F218 W220 D227 F228 D233 R234 C235	T195-C231 WeakPolarHBondContact OG1-CB 3.35Å; F218-C231 HydrophobicContact CB-CB 3.91Å; F218-C231 VanDerWaalsContact O-CB 3.29Å; F218-C231 WeakPolarHBondContact O-CB 3.46Å; F218-C231 PolarHBondContact O-SG 2.99Å; W220-C231 VanDerWaalsContact CZ3-SG 3.56Å; D227-C231 WeakPolarHBondContact O-CB 3.4Å; D227-C231 PolarHBondContact O-N 3.34Å; D227-C231 PolarHBondContact O-SG 2.98Å; D227-C231 VanDerWaalsContact O-SG 3.35Å; F228-C231 PolarHBondContact O-N 3.37Å; C231-D233 VanDerWaalsContact C-N 3.32Å; C231-D233 PolarHBondContact O-N 2.89Å; C231-R234 PolarHBondContact O-N 3.12Å; C231-C235 PolarHBondContact O-N 3.04Å; C231-C235 PolarHBondContact O-SG 2.85Å
232	I	97.6	Very high	93.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58	-44.3	171.7	-65.9	164.5	0	0	0	110.9	T195 F228 W229 R234 C235 V236 L253 W256	T195-I232 HydrophobicContact CG2-CG1 3.79Å; F228-I232 HydrophobicContact CD1-CD1 4.05Å; F228-I232 HydrophobicContact CE1-CD1 3.62Å; F228-I232 HydrophobicContact CE2-CD1 4.18Å; F228-I232 HydrophobicContact CZ-CD1 3.7Å; F228-I232 WeakPolarHBondContact O-CG1 3.42Å; F228-I232 PolarHBondContact O-N 2.86Å; F228-I232 VanDerWaalsContact O-N 3.1Å; W229-I232 HydrophobicContact CE3-CD1 3.62Å; W229-I232 HydrophobicContact CZ3-CD1 3.74Å; I232-R234 PolarHBondContact O-N 3.33Å; I232-C235 PolarHBondContact O-N 3.49Å; I232-V236 WeakPolarHBondContact O-CG2 3.42Å; I232-V236 PolarHBondContact O-N 2.85Å; I232-L253 HydrophobicContact CG2-CD1 4.03Å; I232-W256 HydrophobicContact CG2-CB 3.73Å; I232-W256 HydrophobicContact CG2-CD2 4.25Å; I232-W256 HydrophobicContact CG2-CG 3.61Å
233	D	97.3	Very high	93.9	Very high	28 Å²	28	56.2 Å²	56.2	15%	0.15	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-44.5	178.6	-152.2	75.7	0	0	0	112.3	W229 W230 C231 C235 V236 N237 W256 Y261	W229-D233 PolarHBondContact O-N 3.17Å; W229-D233 VanDerWaalsContact O-N 3.1Å; W230-D233 PolarHBondContact O-N 3.37Å; C231-D233 VanDerWaalsContact C-N 3.32Å; C231-D233 PolarHBondContact O-N 2.89Å; D233-C235 PolarHBondContact O-N 2.94Å; D233-V236 PolarHBondContact O-N 2.8Å; D233-N237 VanDerWaalsContact O-CB 3.28Å; D233-N237 WeakPolarHBondContact O-CB 3.5Å; D233-N237 PolarHBondContact O-N 2.78Å; D233-N237 PolarHBondContact OD2-ND2 2.79Å; D233-W256 HydrophobicContact CB-CZ2 3.99Å; D233-W256 PolarHBondContact OD1-NE1 2.7Å; D233-Y261 VanDerWaalsContact CG-OH 3.24Å; D233-Y261 VanDerWaalsContact OD1-CE2 3.3Å; D233-Y261 WeakPolarHBondContact OD1-CE2 3.43Å; D233-Y261 PolarHBondContact OD1-OH 3.46Å; D233-Y261 PolarHBondContact OD2-OH 3.03Å; D233-Y261 VanDerWaalsContact OD2-OH 3.09Å
234	R	96.1	Very high	94.3	Very high	118 Å²	118	57.4 Å²	57.4	45%	0.445	30%	0.295	S	S	.	.	H	α-helix	trans	-64.6	-23.6	179.6	-69.8	-75.5	157.6	140.6	-5.2	114.2	R193 F218 W230 C231 I232 T238	R193-R234 PolarHBondContact NE-O 3.11Å; R193-R234 PolarHBondContact NH2-O 3.06Å; F218-R234 HydrophobicContact CB-CB 4.43Å; F218-R234 HydrophobicContact CD1-CB 3.55Å; F218-R234 HydrophobicContact CD1-CG 4.01Å; F218-R234 HydrophobicContact CD2-CB 4.02Å; F218-R234 HydrophobicContact CE1-CB 3.74Å; F218-R234 HydrophobicContact CE1-CG 4.13Å; F218-R234 HydrophobicContact CE2-CB 4.18Å; F218-R234 HydrophobicContact CG-CB 3.72Å; F218-R234 HydrophobicContact CZ-CB 4.06Å; W230-R234 HydrophobicContact CD2-CG 3.91Å; W230-R234 HydrophobicContact CE3-CG 4.01Å; W230-R234 HydrophobicContact CH2-CG 3.95Å; W230-R234 HydrophobicContact CZ2-CG 3.85Å; W230-R234 HydrophobicContact CZ3-CG 4.02Å; W230-R234 VanDerWaalsContact O-CG 3.26Å; W230-R234 WeakPolarHBondContact O-CG 3.4Å; W230-R234 PolarHBondContact O-N 3.39Å; C231-R234 PolarHBondContact O-N 3.12Å; I232-R234 PolarHBondContact O-N 3.33Å; R234-T238 PolarHBondContact O-OG1 2.89Å
235	C	96.4	Very high	94.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-82.1	-22.6	173.9	-75.1	0	0	0	0	113.7	V169 R193 W194 C231 I232 D233	V169-C235 HydrophobicContact CG2-CB 3.7Å; R193-C235 HydrophobicContact CB-CB 4.28Å; R193-C235 WeakPolarHBondContact CD-O 3.49Å; W194-C235 PolarHBondContact O-SG 3.37Å; C231-C235 PolarHBondContact O-N 3.04Å; C231-C235 PolarHBondContact O-SG 2.85Å; I232-C235 PolarHBondContact O-N 3.49Å; D233-C235 PolarHBondContact O-N 2.94Å
236	V	95.5	Very high	95.2	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-102.2	-40.2	-176.9	174.4	0	0	0	0	112.4	V169 I232 D233 L253 V257 Y261	V169-V236 HydrophobicContact CG2-CG2 4.21Å; I232-V236 WeakPolarHBondContact O-CG2 3.42Å; I232-V236 PolarHBondContact O-N 2.85Å; D233-V236 PolarHBondContact O-N 2.8Å; V236-L253 HydrophobicContact CG2-CD1 3.59Å; V236-V257 HydrophobicContact CB-CG2 4.47Å; V236-V257 HydrophobicContact CG1-CG2 3.92Å; V236-V257 HydrophobicContact CG2-CG2 3.63Å; V236-Y261 HydrophobicContact CG1-CD2 3.64Å; V236-Y261 HydrophobicContact CG1-CE2 4.1Å; V236-Y261 HydrophobicContact CG1-CG 3.99Å
237	N	92	Very high	95.5	Very high	89 Å²	89	41.4 Å²	41.4	48%	0.476	21%	0.21	S	C	.	.			trans	-104.2	88.8	-168.8	-173.9	20.6	0	0	0	109.9	D233 Y261	D233-N237 VanDerWaalsContact O-CB 3.28Å; D233-N237 WeakPolarHBondContact O-CB 3.5Å; D233-N237 PolarHBondContact O-N 2.78Å; D233-N237 PolarHBondContact OD2-ND2 2.79Å; N237-Y261 HydrophobicContact CB-CE1 4.08Å; N237-Y261 PolarHBondContact ND2-OH 2.97Å; N237-Y261 VanDerWaalsContact ND2-OH 3.09Å
238	T	90.3	Very high	95.6	Very high	35 Å²	35	40.5 Å²	40.5	22%	0.215	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-136.9	135.6	-174.5	-51.6	0	0	0	0	110.5	R193 R234 W241	R193-T238 VanDerWaalsContact CZ-OG1 3.3Å; R193-T238 PolarHBondContact NE-OG1 2.85Å; R193-T238 VanDerWaalsContact NE-OG1 3.16Å; R193-T238 PolarHBondContact NH2-OG1 3.35Å; R234-T238 PolarHBondContact O-OG1 2.89Å; T238-W241 HydrophobicContact CG2-CB 4.11Å; T238-W241 PolarHBondContact O-N 3.44Å
239	E	88.1	Confident	95.6	Very high	197 Å²	197	41 Å²	41	92%	0.921	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	136.6	178.8	-169.2	167.9	-166.3	0	0	111	W241	E239-W241 PolarHBondContact O-N 3.06Å
240	G	89.5	Confident	95.1	Very high	77 Å²	77	38 Å²	38	79%	0.794	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	-6.9	-174.8	0	0	0	0	0	116	K167	K167-G240 PolarHBondContact NZ-O 3.01Å
241	W	95.6	Very high	94.9	Very high	25 Å²	25	35.8 Å²	35.8	10%	0.095	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-128.3	114.6	-177	-162.1	103.3	0	0	0	112	K167 V169 R193 T238 E239 P243	K167-W241 HydrophobicContact CB-CH2 4.13Å; K167-W241 HydrophobicContact CB-CZ2 3.55Å; K167-W241 HydrophobicContact CD-CD2 4.18Å; K167-W241 HydrophobicContact CD-CG 4.18Å; K167-W241 HydrophobicContact CD-CZ2 4.5Å; K167-W241 HydrophobicContact CG-CZ2 4.13Å; V169-W241 HydrophobicContact CB-CH2 4.37Å; R193-W241 HydrophobicContact CB-CH2 4.2Å; R193-W241 VanDerWaalsContact CD-CZ3 3.41Å; R193-W241 HydrophobicContact CG-CD2 4.37Å; R193-W241 HydrophobicContact CG-CE3 4.27Å; R193-W241 HydrophobicContact CG-CH2 3.73Å; R193-W241 HydrophobicContact CG-CZ2 3.82Å; R193-W241 HydrophobicContact CG-CZ3 3.96Å; T238-W241 HydrophobicContact CG2-CB 4.11Å; T238-W241 PolarHBondContact O-N 3.44Å; E239-W241 PolarHBondContact O-N 3.06Å; W241-P243 HydrophobicContact CH2-CB 3.92Å; W241-P243 HydrophobicContact CZ3-CB 3.7Å; W241-P243 HydrophobicContact CZ3-CG 4.08Å
242	Q	95.4	Very high	94.7	Very high	96 Å²	96	37.7 Å²	37.7	45%	0.449	21%	0.206	S	C	.	.			trans	-116.4	133.5	170.2	-65.3	-174.2	-12.1	0	0	108.2	K167	K167-Q242 WeakPolarHBondContact CD-O 3.39Å
243	P	97.4	Very high	94.7	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.019	21%	0.206	C	C	.	.			trans	-64.3	151.3	174.8	25.9	-32	0	0	0	110.8	K167 V169 W241 V264 I268	K167-P243 CarbonylContact O-C 3.58Å; K167-P243 WeakPolarHBondContact O-CA 3.33Å; V169-P243 HydrophobicContact CB-CB 4.11Å; V169-P243 HydrophobicContact CG1-CB 3.57Å; V169-P243 HydrophobicContact CG1-CG 3.97Å; W241-P243 HydrophobicContact CH2-CB 3.92Å; W241-P243 HydrophobicContact CZ3-CB 3.7Å; W241-P243 HydrophobicContact CZ3-CG 4.08Å; P243-V264 HydrophobicContact CG-CG1 3.71Å; P243-I268 HydrophobicContact CB-CD1 4.05Å; P243-I268 HydrophobicContact CG-CD1 4.17Å; P243-I268 WeakPolarHBondContact O-CD1 3.32Å
244	N	97.6	Very high	94.7	Very high	30 Å²	30	36.6 Å²	36.6	16%	0.16	20%	0.2	C	C	.	.	S	Bend	trans	-127.2	-1.7	169.7	68.2	20.2	0	0	0	112.8	G165 A166 K167 R269	G165-N244 PolarHBondContact O-ND2 2.9Å; A166-N244 WeakPolarHBondContact CA-OD1 3.28Å; K167-N244 PolarHBondContact N-OD1 3.37Å; K167-N244 PolarHBondContact O-N 3Å; N244-R269 WeakPolarHBondContact O-CB 3.25Å; N244-R269 PolarHBondContact O-N 2.68Å
245	M	98.5	Very high	94.6	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	146.7	173.3	-69.8	-59.7	-61.7	0	0	109.2	K167 I168 V169 R269 G270 L486 L489 Y490	K167-M245 PolarHBondContact O-N 2.98Å; K167-M245 VanDerWaalsContact O-N 3.12Å; I168-M245 WeakPolarHBondContact CA-O 3.5Å; I168-M245 HydrophobicContact CB-CB 4.49Å; I168-M245 HydrophobicContact CG1-CB 3.97Å; V169-M245 PolarHBondContact N-O 2.91Å; V169-M245 VanDerWaalsContact N-O 3.07Å; M245-R269 HydrophobicContact SD-CB 3.79Å; M245-G270 WeakPolarHBondContact CE-O 3.36Å; M245-L486 HydrophobicContact CB-CD2 4.43Å; M245-L486 HydrophobicContact CE-CD2 3.79Å; M245-L489 HydrophobicContact CE-CB 3.75Å; M245-L489 HydrophobicContact CE-CD1 4.26Å; M245-Y490 HydrophobicContact CG-CD2 4.05Å; M245-Y490 HydrophobicContact SD-CD2 4.23Å
246	I	98.6	Very high	94.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.9	173	-65.6	175.8	0	0	0	109	V169 D248 L253 V257 I268 G270 I271 V272	V169-I246 HydrophobicContact CG1-CG1 3.91Å; V169-I246 WeakPolarHBondContact O-CA 3.38Å; I246-D248 HydrophobicContact CG2-CB 3.99Å; I246-L253 HydrophobicContact CG2-CD2 3.85Å; I246-L253 HydrophobicContact CG2-CG 4.13Å; I246-V257 HydrophobicContact CD1-CB 4.31Å; I246-V257 HydrophobicContact CD1-CG2 4.16Å; I246-I268 HydrophobicContact CD1-CD1 4.22Å; I246-I268 HydrophobicContact CD1-CG1 4.01Å; I246-I268 HydrophobicContact CD1-CG2 4.32Å; I246-I268 HydrophobicContact CG1-CD1 4.04Å; I246-I268 HydrophobicContact CG1-CG1 4.29Å; I246-I268 HydrophobicContact CG1-CG2 4.18Å; I246-G270 PolarHBondContact N-O 2.88Å; I246-G270 VanDerWaalsContact N-O 3.08Å; I246-I271 HydrophobicContact CB-CG1 4.22Å; I246-I271 HydrophobicContact CB-CG2 4.33Å; I246-I271 HydrophobicContact CD1-CG1 4.33Å; I246-I271 HydrophobicContact CG2-CG2 4.15Å; I246-V272 PolarHBondContact O-N 2.7Å
247	L	98.8	Very high	94.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.1	159.3	179.1	65.3	0	0	0	108.3	I168 V169 G170 C171 T172 L181 W194 V272 Q482 L486	I168-L247 HydrophobicContact CG2-CB 4.47Å; V169-L247 PolarHBondContact O-N 3.02Å; G170-L247 CarbonylContact C-O 3.59Å; G170-L247 VanDerWaalsContact CA-O 3.31Å; G170-L247 WeakPolarHBondContact CA-O 3.35Å; C171-L247 PolarHBondContact N-O 3.34Å; T172-L247 HydrophobicContact CG2-CD2 4.28Å; T172-L247 HydrophobicContact CG2-CG 4.22Å; L181-L247 HydrophobicContact CD2-CD2 3.87Å; W194-L247 HydrophobicContact CH2-CD2 3.74Å; W194-L247 HydrophobicContact CZ2-CD2 3.79Å; L247-V272 WeakPolarHBondContact CA-O 3.27Å; L247-V272 HydrophobicContact CD1-CB 3.69Å; L247-V272 HydrophobicContact CD1-CG1 3.56Å; L247-Q482 HydrophobicContact CD1-CB 4.06Å; L247-Q482 HydrophobicContact CD1-CG 3.84Å; L247-Q482 HydrophobicContact CD2-CB 4.38Å; L247-L486 HydrophobicContact CB-CD1 4.43Å; L247-L486 HydrophobicContact CD2-CD1 4.27Å
248	D	98	Very high	94.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	149.5	-168.9	-151	-14.9	0	0	0	111.9	I246 G251 L253 T254 V272 E273 E274	I246-D248 HydrophobicContact CG2-CB 3.99Å; D248-G251 VanDerWaalsContact CG-CA 3.47Å; D248-G251 PolarHBondContact OD1-N 2.86Å; D248-G251 VanDerWaalsContact OD2-C 3.28Å; D248-G251 WeakPolarHBondContact OD2-CA 3.29Å; D248-L253 PolarHBondContact OD2-N 2.84Å; D248-T254 WeakPolarHBondContact OD2-CA 3.38Å; D248-T254 WeakPolarHBondContact OD2-CB 3.33Å; D248-T254 PolarHBondContact OD2-N 3.26Å; D248-T254 PolarHBondContact OD2-OG1 3.1Å; D248-V272 PolarHBondContact N-O 2.89Å; D248-E273 WeakPolarHBondContact O-CA 3.44Å; D248-E274 PolarHBondContact O-N 3.31Å
249	D	94	Very high	95.1	Very high	30 Å²	30	39.1 Å²	39.1	16%	0.16	21%	0.206	C	C	.	.	S	Bend	trans	-139.5	97.4	177.7	172.8	29.4	0	0	0	107.4	C171 T172 H173 C197 E274	C171-D249 PolarHBondContact O-N 3.47Å; T172-D249 HydrophobicContact CG2-CB 4.17Å; H173-D249 IonicContact CD2-OD2 3.14Å; H173-D249 IonicContact NE2-OD2 3.98Å; C197-D249 HydrophobicContact CB-CB 4.31Å; C197-D249 VanDerWaalsContact CB-O 3.28Å; C197-D249 WeakPolarHBondContact CB-O 3.45Å; C197-D249 PolarHBondContact SG-OD2 3.28Å; D249-E274 HydrophobicContact CB-CB 4.45Å
250	G	86.8	Confident	95.5	Very high	15 Å²	15	35.3 Å²	35.3	16%	0.155	19%	0.186	C	C	.	.	S	Bend	trans	113.2	-24.5	-175.1	0	0	0	0	0	112.8	E273 S275 G278 R281	G250-E273 PolarHBondContact N-OE1 3.33Å; G250-S275 WeakPolarHBondContact CA-OG 3.32Å; G250-S275 PolarHBondContact N-OG 3.25Å; G250-G278 WeakPolarHBondContact O-CA 3.43Å; G250-R281 WeakPolarHBondContact O-CD 3.28Å; G250-R281 PolarHBondContact O-NH1 2.88Å
251	G	91.2	Very high	95.8	Very high	5 Å²	5	33.8 Å²	33.8	5%	0.052	16%	0.157	C	C	.	.	S	Bend	trans	84.5	10.3	178.2	0	0	0	0	0	114.4	D248 H255 E273 R281	D248-G251 VanDerWaalsContact CG-CA 3.47Å; D248-G251 PolarHBondContact OD1-N 2.86Å; D248-G251 VanDerWaalsContact OD2-C 3.28Å; D248-G251 WeakPolarHBondContact OD2-CA 3.29Å; G251-H255 WeakPolarHBondContact O-CB 3.44Å; G251-H255 PolarHBondContact O-N 3.36Å; G251-E273 WeakPolarHBondContact CA-OE2 3.49Å; G251-E273 PolarHBondContact N-OE2 2.94Å; G251-E273 VanDerWaalsContact N-OE2 3.08Å; G251-R281 VanDerWaalsContact C-NH1 3.31Å; G251-R281 PolarHBondContact O-NH1 3.19Å
252	D	93.8	Very high	95.8	Very high	39 Å²	39	35.5 Å²	35.5	21%	0.209	17%	0.171	C	C	.	.	H	α-helix	trans	-77.6	-34	-175.4	-76.1	-40.1	0	0	0	112.3	W229 H255 W256 R281	W229-D252 HydrophobicContact CH2-CB 3.93Å; W229-D252 HydrophobicContact CZ3-CB 4.18Å; D252-H255 PolarHBondContact O-N 2.84Å; D252-W256 WeakPolarHBondContact O-CB 3.5Å; D252-W256 PolarHBondContact O-N 3.37Å; D252-R281 VanDerWaalsContact CG-NH1 3.33Å; D252-R281 IonicContact OD1-CZ 2.71Å; D252-R281 VanDerWaalsContact OD1-CZ 3.26Å; D252-R281 IonicContact OD1-NH1 2.99Å; D252-R281 PolarHBondContact OD1-NH1 3.09Å; D252-R281 IonicContact OD1-NH2 3.79Å; D252-R281 PolarHBondContact OD1-NH2 3.49Å; D252-R281 IonicContact OD2-NH1 3.81Å
253	L	97.4	Very high	95.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.5	-47.5	169.6	163.3	64.3	0	0	0	110.6	V169 C171 I232 V236 I246 D248 H255 W256 V257	V169-L253 HydrophobicContact CB-CD2 4.45Å; V169-L253 HydrophobicContact CG1-CD1 4.17Å; V169-L253 HydrophobicContact CG1-CD2 4.13Å; V169-L253 HydrophobicContact CG2-CD1 3.78Å; V169-L253 HydrophobicContact CG2-CD2 3.9Å; C171-L253 HydrophobicContact CB-CB 3.42Å; C171-L253 VanDerWaalsContact CB-CB 3.42Å; C171-L253 HydrophobicContact CB-CD2 3.46Å; C171-L253 VanDerWaalsContact CB-CD2 3.46Å; C171-L253 HydrophobicContact CB-CG 4.05Å; I232-L253 HydrophobicContact CG2-CD1 4.03Å; V236-L253 HydrophobicContact CG2-CD1 3.59Å; I246-L253 HydrophobicContact CG2-CD2 3.85Å; I246-L253 HydrophobicContact CG2-CG 4.13Å; D248-L253 PolarHBondContact OD2-N 2.84Å; L253-H255 VanDerWaalsContact C-N 3.28Å; L253-H255 PolarHBondContact O-N 3.28Å; L253-W256 WeakPolarHBondContact O-CB 3.36Å; L253-W256 PolarHBondContact O-N 2.93Å; L253-W256 VanDerWaalsContact O-N 3.1Å; L253-V257 HydrophobicContact CD1-CG2 3.93Å; L253-V257 WeakPolarHBondContact O-CG2 3.48Å; L253-V257 PolarHBondContact O-N 2.92Å
254	T	97.4	Very high	95.5	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-55.3	-45	173.7	-66.7	0	0	0	0	110.8	D248 Y258 F265 I271 L282	D248-T254 WeakPolarHBondContact OD2-CA 3.38Å; D248-T254 WeakPolarHBondContact OD2-CB 3.33Å; D248-T254 PolarHBondContact OD2-N 3.26Å; D248-T254 PolarHBondContact OD2-OG1 3.1Å; T254-Y258 WeakPolarHBondContact O-CB 3.48Å; T254-Y258 PolarHBondContact O-N 2.72Å; T254-F265 HydrophobicContact CG2-CE2 4.19Å; T254-I271 HydrophobicContact CG2-CD1 3.87Å; T254-L282 HydrophobicContact CG2-CD2 4.11Å
255	H	95.2	Very high	95.4	Very high	81 Å²	81	35.9 Å²	35.9	38%	0.375	18%	0.177	S	C	.	.	H	α-helix	trans	-62.6	-44	175.6	-162.9	98.2	0	0	0	111.9	G251 D252 L253 Y258 K259	G251-H255 WeakPolarHBondContact O-CB 3.44Å; G251-H255 PolarHBondContact O-N 3.36Å; D252-H255 PolarHBondContact O-N 2.84Å; L253-H255 VanDerWaalsContact C-N 3.28Å; L253-H255 PolarHBondContact O-N 3.28Å; H255-Y258 PolarHBondContact O-N 3.45Å; H255-K259 VanDerWaalsContact NE2-CE 3.25Å; H255-K259 WeakPolarHBondContact NE2-CE 3.31Å; H255-K259 WeakPolarHBondContact NE2-CG 3.18Å; H255-K259 VanDerWaalsContact O-CB 3.3Å; H255-K259 WeakPolarHBondContact O-CB 3.19Å; H255-K259 WeakPolarHBondContact O-CG 3.29Å; H255-K259 PolarHBondContact O-N 2.98Å
256	W	96.8	Very high	95.1	Very high	32 Å²	32	42.9 Å²	42.9	12%	0.121	21%	0.207	C	C	.	.	H	α-helix	trans	-62.8	-49.3	179.3	-166.4	-101	0	0	0	112.4	W229 I232 D233 D252 L253 Y258 K259 K260 Y261	W229-W256 HydrophobicContact CB-CH2 3.61Å; W229-W256 HydrophobicContact CB-CZ2 4.36Å; W229-W256 HydrophobicContact CB-CZ3 3.92Å; W229-W256 HydrophobicContact CD2-CE3 4.01Å; W229-W256 HydrophobicContact CD2-CH2 4.25Å; W229-W256 AromaticContact CD2-CZ3 3.59Å; W229-W256 HydrophobicContact CD2-CZ3 3.59Å; W229-W256 AromaticContact CE3-CD2 3.99Å; W229-W256 HydrophobicContact CE3-CD2 3.99Å; W229-W256 AromaticContact CE3-CE3 3.23Å; W229-W256 HydrophobicContact CE3-CE3 3.23Å; W229-W256 HydrophobicContact CE3-CH2 4.1Å; W229-W256 AromaticContact CE3-CZ3 3.31Å; W229-W256 HydrophobicContact CE3-CZ3 3.31Å; W229-W256 HydrophobicContact CG-CH2 4.08Å; W229-W256 AromaticContact CG-CZ3 3.86Å; W229-W256 HydrophobicContact CG-CZ3 3.86Å; W229-W256 HydrophobicContact CZ3-CD2 4.38Å; W229-W256 AromaticContact CZ3-CE3 3.61Å; W229-W256 HydrophobicContact CZ3-CE3 3.61Å; W229-W256 HydrophobicContact CZ3-CZ3 4.08Å; W229-W256 WeakPolarHBondContact O-CZ2 3.46Å; I232-W256 HydrophobicContact CG2-CB 3.73Å; I232-W256 HydrophobicContact CG2-CD2 4.25Å; I232-W256 HydrophobicContact CG2-CG 3.61Å; D233-W256 HydrophobicContact CB-CZ2 3.99Å; D233-W256 PolarHBondContact OD1-NE1 2.7Å; D252-W256 WeakPolarHBondContact O-CB 3.5Å; D252-W256 PolarHBondContact O-N 3.37Å; L253-W256 WeakPolarHBondContact O-CB 3.36Å; L253-W256 PolarHBondContact O-N 2.93Å; L253-W256 VanDerWaalsContact O-N 3.1Å; W256-Y258 PolarHBondContact O-N 2.64Å; W256-K259 PolarHBondContact O-N 2.59Å; W256-K260 HydrophobicContact CD2-CD 4.06Å; W256-K260 HydrophobicContact CD2-CG 4.48Å; W256-K260 HydrophobicContact CE3-CD 4.39Å; W256-K260 HydrophobicContact CH2-CD 4.12Å; W256-K260 HydrophobicContact CZ2-CD 3.7Å; W256-K260 VanDerWaalsContact CZ2-CE 3.47Å; W256-K260 HydrophobicContact CZ3-CD 4.41Å; W256-K260 PolarHBondContact O-N 2.99Å; W256-Y261 AromaticContact CD1-CE2 3.99Å; W256-Y261 AromaticContact NE1-CE2 3.78Å
257	V	96.6	Very high	94.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.7	-43.7	177.2	-172.7	0	0	0	0	110.5	V236 I246 L253 K259 Y261 V264 F265	V236-V257 HydrophobicContact CB-CG2 4.47Å; V236-V257 HydrophobicContact CG1-CG2 3.92Å; V236-V257 HydrophobicContact CG2-CG2 3.63Å; I246-V257 HydrophobicContact CD1-CB 4.31Å; I246-V257 HydrophobicContact CD1-CG2 4.16Å; L253-V257 HydrophobicContact CD1-CG2 3.93Å; L253-V257 WeakPolarHBondContact O-CG2 3.48Å; L253-V257 PolarHBondContact O-N 2.92Å; V257-K259 PolarHBondContact O-N 2.91Å; V257-Y261 CarbonylContact O-C 3.34Å; V257-Y261 VanDerWaalsContact O-CA 3.3Å; V257-Y261 WeakPolarHBondContact O-CA 3.44Å; V257-Y261 PolarHBondContact O-N 2.87Å; V257-V264 HydrophobicContact CG1-CB 4.33Å; V257-V264 HydrophobicContact CG1-CG1 4.23Å; V257-F265 HydrophobicContact CB-CD2 4.13Å; V257-F265 HydrophobicContact CG1-CB 4Å; V257-F265 HydrophobicContact CG1-CD2 3.95Å; V257-F265 HydrophobicContact CG1-CG 4.5Å
258	Y	95.5	Very high	94.8	Very high	59 Å²	59	48.9 Å²	48.9	23%	0.231	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-42.5	176.4	173.3	-111	0	0	0	113	T254 H255 W256 F265 L285	T254-Y258 WeakPolarHBondContact O-CB 3.48Å; T254-Y258 PolarHBondContact O-N 2.72Å; H255-Y258 PolarHBondContact O-N 3.45Å; W256-Y258 PolarHBondContact O-N 2.64Å; Y258-F265 AromaticContact CD2-CD1 3.77Å; Y258-F265 HydrophobicContact CD2-CD1 3.77Å; Y258-F265 AromaticContact CD2-CE1 3.64Å; Y258-F265 HydrophobicContact CD2-CE1 3.64Å; Y258-F265 HydrophobicContact CD2-CG 4.39Å; Y258-F265 HydrophobicContact CD2-CZ 4.16Å; Y258-F265 HydrophobicContact CE2-CE1 4.45Å; Y258-F265 HydrophobicContact CG-CE1 4.42Å; Y258-L285 HydrophobicContact CE1-CD2 4Å
259	K	95.1	Very high	94.7	Very high	127 Å²	127	55.3 Å²	55.3	55%	0.552	26%	0.258	S	S	*	.	H	α-helix	trans	-81.3	-51.7	-175.8	-71.1	-65.7	-170.3	169.1	0	114	H255 W256 V257	H255-K259 VanDerWaalsContact NE2-CE 3.25Å; H255-K259 WeakPolarHBondContact NE2-CE 3.31Å; H255-K259 WeakPolarHBondContact NE2-CG 3.18Å; H255-K259 VanDerWaalsContact O-CB 3.3Å; H255-K259 WeakPolarHBondContact O-CB 3.19Å; H255-K259 WeakPolarHBondContact O-CG 3.29Å; H255-K259 PolarHBondContact O-N 2.98Å; W256-K259 PolarHBondContact O-N 2.59Å; V257-K259 PolarHBondContact O-N 2.91Å
260	K	96.8	Very high	94.9	Very high	116 Å²	116	53.9 Å²	53.9	50%	0.504	25%	0.25	S	C	.	.	H	α-helix	trans	-89.9	-31.5	-173.7	-69.4	-161	179.8	-175.8	0	113.2	W256 P262	W256-K260 HydrophobicContact CD2-CD 4.06Å; W256-K260 HydrophobicContact CD2-CG 4.48Å; W256-K260 HydrophobicContact CE3-CD 4.39Å; W256-K260 HydrophobicContact CH2-CD 4.12Å; W256-K260 HydrophobicContact CZ2-CD 3.7Å; W256-K260 VanDerWaalsContact CZ2-CE 3.47Å; W256-K260 HydrophobicContact CZ3-CD 4.41Å; W256-K260 PolarHBondContact O-N 2.99Å; K260-P262 WeakPolarHBondContact O-CD 3.17Å
261	Y	96	Very high	95.4	Very high	46 Å²	46	53.1 Å²	53.1	18%	0.18	24%	0.243	C	C	.	.			trans	-123.6	52.2	-172.7	-57.7	-78.7	0	0	0	112.9	D233 V236 N237 W256 V257 N263 V264 F265	D233-Y261 VanDerWaalsContact CG-OH 3.24Å; D233-Y261 VanDerWaalsContact OD1-CE2 3.3Å; D233-Y261 WeakPolarHBondContact OD1-CE2 3.43Å; D233-Y261 PolarHBondContact OD1-OH 3.46Å; D233-Y261 PolarHBondContact OD2-OH 3.03Å; D233-Y261 VanDerWaalsContact OD2-OH 3.09Å; V236-Y261 HydrophobicContact CG1-CD2 3.64Å; V236-Y261 HydrophobicContact CG1-CE2 4.1Å; V236-Y261 HydrophobicContact CG1-CG 3.99Å; N237-Y261 HydrophobicContact CB-CE1 4.08Å; N237-Y261 PolarHBondContact ND2-OH 2.97Å; N237-Y261 VanDerWaalsContact ND2-OH 3.09Å; W256-Y261 AromaticContact CD1-CE2 3.99Å; W256-Y261 AromaticContact NE1-CE2 3.78Å; V257-Y261 CarbonylContact O-C 3.34Å; V257-Y261 VanDerWaalsContact O-CA 3.3Å; V257-Y261 WeakPolarHBondContact O-CA 3.44Å; V257-Y261 PolarHBondContact O-N 2.87Å; Y261-N263 PolarHBondContact O-N 3.25Å; Y261-V264 CarbonylContact O-C 3.6Å; Y261-V264 WeakPolarHBondContact O-CA 3.49Å; Y261-V264 WeakPolarHBondContact O-CB 3.4Å; Y261-V264 PolarHBondContact O-N 3.46Å; Y261-F265 PolarHBondContact O-N 3.25Å
262	P	94.6	Very high	95.8	Very high	60 Å²	60	52.9 Å²	52.9	39%	0.39	24%	0.24	S	C	.	.	H	α-helix	trans	-60.4	-23.8	-175.2	25.6	-35.7	0	0	0	113.9	K260 K266	K260-P262 WeakPolarHBondContact O-CD 3.17Å; P262-K266 VanDerWaalsContact O-CG 3.31Å; P262-K266 WeakPolarHBondContact O-CG 3.28Å; P262-K266 PolarHBondContact O-N 3.02Å
263	N	93.1	Very high	96	Very high	121 Å²	121	51 Å²	51	65%	0.647	23%	0.23	S	C	*	.	H	α-helix	trans	-78.3	-18.7	173.9	-68.2	-22.4	0	0	0	113.8	Y261	Y261-N263 PolarHBondContact O-N 3.25Å
264	V	94.4	Very high	95.7	Very high	15 Å²	15	52.2 Å²	52.2	9%	0.091	24%	0.235	C	C	.	.	H	α-helix	trans	-87.4	-42.7	167.9	-179.4	0	0	0	0	109.4	P243 V257 Y261 K266 K267 I268	P243-V264 HydrophobicContact CG-CG1 3.71Å; V257-V264 HydrophobicContact CG1-CB 4.33Å; V257-V264 HydrophobicContact CG1-CG1 4.23Å; Y261-V264 CarbonylContact O-C 3.6Å; Y261-V264 WeakPolarHBondContact O-CA 3.49Å; Y261-V264 WeakPolarHBondContact O-CB 3.4Å; Y261-V264 PolarHBondContact O-N 3.46Å; V264-K266 VanDerWaalsContact C-N 3.29Å; V264-K266 PolarHBondContact O-N 2.93Å; V264-K267 WeakPolarHBondContact O-CA 3.45Å; V264-K267 WeakPolarHBondContact O-CB 3.46Å; V264-K267 PolarHBondContact O-N 3.03Å; V264-I268 PolarHBondContact O-N 3.02Å
265	F	95.1	Very high	95.3	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.009	24%	0.239	C	C	.	.	H	α-helix	trans	-53.2	-44.8	177.9	-164.4	-108.5	0	0	0	112.2	T254 V257 Y258 Y261 K267 I268 I271 L291 C292 V293	T254-F265 HydrophobicContact CG2-CE2 4.19Å; V257-F265 HydrophobicContact CB-CD2 4.13Å; V257-F265 HydrophobicContact CG1-CB 4Å; V257-F265 HydrophobicContact CG1-CD2 3.95Å; V257-F265 HydrophobicContact CG1-CG 4.5Å; Y258-F265 AromaticContact CD2-CD1 3.77Å; Y258-F265 HydrophobicContact CD2-CD1 3.77Å; Y258-F265 AromaticContact CD2-CE1 3.64Å; Y258-F265 HydrophobicContact CD2-CE1 3.64Å; Y258-F265 HydrophobicContact CD2-CG 4.39Å; Y258-F265 HydrophobicContact CD2-CZ 4.16Å; Y258-F265 HydrophobicContact CE2-CE1 4.45Å; Y258-F265 HydrophobicContact CG-CE1 4.42Å; Y261-F265 PolarHBondContact O-N 3.25Å; F265-K267 PolarHBondContact O-N 3.13Å; F265-K267 VanDerWaalsContact O-N 3.09Å; F265-I268 WeakPolarHBondContact O-CB 3.36Å; F265-I268 PolarHBondContact O-N 2.93Å; F265-I268 VanDerWaalsContact O-N 3.1Å; F265-I271 HydrophobicContact CE2-CD1 3.98Å; F265-I271 HydrophobicContact CZ-CD1 4.02Å; F265-L291 HydrophobicContact CZ-CD1 4.42Å; F265-C292 VanDerWaalsContact CD1-SG 3.52Å; F265-V293 HydrophobicContact CE1-CG2 4.23Å; F265-V293 HydrophobicContact CE2-CG2 4.44Å; F265-V293 HydrophobicContact CZ-CG2 3.97Å; F265-V293 VanDerWaalsContact O-CG1 3.27Å; F265-V293 WeakPolarHBondContact O-CG1 3.49Å
266	K	93	Very high	94.8	Very high	148 Å²	148	53.1 Å²	53.1	64%	0.643	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-9.8	174.4	-72.6	171.9	-179.1	177.9	0	115.6	P262 V264	P262-K266 VanDerWaalsContact O-CG 3.31Å; P262-K266 WeakPolarHBondContact O-CG 3.28Å; P262-K266 PolarHBondContact O-N 3.02Å; V264-K266 VanDerWaalsContact C-N 3.29Å; V264-K266 PolarHBondContact O-N 2.93Å
267	K	93.2	Very high	94.1	Very high	120 Å²	120	53.3 Å²	53.3	52%	0.522	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-5.9	176.4	-58.6	-178.4	-173.1	-177.4	0	113.2	V264 F265 R269	V264-K267 WeakPolarHBondContact O-CA 3.45Å; V264-K267 WeakPolarHBondContact O-CB 3.46Å; V264-K267 PolarHBondContact O-N 3.03Å; F265-K267 PolarHBondContact O-N 3.13Å; F265-K267 VanDerWaalsContact O-N 3.09Å; K267-R269 PolarHBondContact O-N 3.23Å
268	I	96.6	Very high	93.7	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.031	25%	0.252	C	S	.	.			trans	-66.6	125.3	173.6	-59.2	-58.8	0	0	0	108.1	P243 I246 V264 F265 G270 I271 V293	P243-I268 HydrophobicContact CB-CD1 4.05Å; P243-I268 HydrophobicContact CG-CD1 4.17Å; P243-I268 WeakPolarHBondContact O-CD1 3.32Å; I246-I268 HydrophobicContact CD1-CD1 4.22Å; I246-I268 HydrophobicContact CD1-CG1 4.01Å; I246-I268 HydrophobicContact CD1-CG2 4.32Å; I246-I268 HydrophobicContact CG1-CD1 4.04Å; I246-I268 HydrophobicContact CG1-CG1 4.29Å; I246-I268 HydrophobicContact CG1-CG2 4.18Å; V264-I268 PolarHBondContact O-N 3.02Å; F265-I268 WeakPolarHBondContact O-CB 3.36Å; F265-I268 PolarHBondContact O-N 2.93Å; F265-I268 VanDerWaalsContact O-N 3.1Å; I268-G270 VanDerWaalsContact CG2-O 3.23Å; I268-G270 WeakPolarHBondContact CG2-O 3.34Å; I268-I271 HydrophobicContact CG2-CG1 4.22Å; I268-V293 HydrophobicContact CB-CG1 4.23Å; I268-V293 WeakPolarHBondContact O-CG1 3.08Å
269	R	96.1	Very high	93.7	Very high	134 Å²	134	50.8 Å²	50.8	51%	0.506	24%	0.243	S	C	.	.			trans	-76.3	-29.5	176	-70.1	-178.2	169.2	-158.9	-3.3	112.2	N244 M245 K267 P294 Y490	N244-R269 WeakPolarHBondContact O-CB 3.25Å; N244-R269 PolarHBondContact O-N 2.68Å; M245-R269 HydrophobicContact SD-CB 3.79Å; K267-R269 PolarHBondContact O-N 3.23Å; R269-P294 WeakPolarHBondContact O-CD 3.45Å; R269-P294 WeakPolarHBondContact O-CG 3.4Å; R269-Y490 PolarHBondContact NH1-O 3.34Å
270	G	97.4	Very high	93.4	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	151.8	178	0	0	0	0	0	113.9	M245 I246 I268 P294	M245-G270 WeakPolarHBondContact CE-O 3.36Å; I246-G270 PolarHBondContact N-O 2.88Å; I246-G270 VanDerWaalsContact N-O 3.08Å; I268-G270 VanDerWaalsContact CG2-O 3.23Å; I268-G270 WeakPolarHBondContact CG2-O 3.34Å; G270-P294 WeakPolarHBondContact CA-O 3.31Å
271	I	98.6	Very high	93.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.3	172.1	-57.3	166.9	0	0	0	108	I246 T254 F265 I268 L282 L291 V293 P294 A295 M296 L489	I246-I271 HydrophobicContact CB-CG1 4.22Å; I246-I271 HydrophobicContact CB-CG2 4.33Å; I246-I271 HydrophobicContact CD1-CG1 4.33Å; I246-I271 HydrophobicContact CG2-CG2 4.15Å; T254-I271 HydrophobicContact CG2-CD1 3.87Å; F265-I271 HydrophobicContact CE2-CD1 3.98Å; F265-I271 HydrophobicContact CZ-CD1 4.02Å; I268-I271 HydrophobicContact CG2-CG1 4.22Å; I271-L282 HydrophobicContact CD1-CD2 4.01Å; I271-L282 HydrophobicContact CG2-CD1 4.41Å; I271-L291 HydrophobicContact CD1-CD1 4.33Å; I271-V293 HydrophobicContact CD1-CG2 3.55Å; I271-V293 HydrophobicContact CG1-CG2 3.95Å; I271-P294 PolarHBondContact N-O 3.15Å; I271-A295 HydrophobicContact CB-CB 4.05Å; I271-A295 CarbonylContact O-C 3.01Å; I271-A295 VanDerWaalsContact O-CA 3.3Å; I271-A295 WeakPolarHBondContact O-CA 3.44Å; I271-M296 PolarHBondContact O-N 3.32Å; I271-L489 VanDerWaalsContact O-CD1 3.31Å; I271-L489 WeakPolarHBondContact O-CD1 3.22Å
272	V	98.6	Very high	93.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.7	165.3	179.1	0	0	0	0	107.7	I246 L247 D248 V298 Q482 A485 L486 L489	I246-V272 PolarHBondContact O-N 2.7Å; L247-V272 WeakPolarHBondContact CA-O 3.27Å; L247-V272 HydrophobicContact CD1-CB 3.69Å; L247-V272 HydrophobicContact CD1-CG1 3.56Å; D248-V272 PolarHBondContact N-O 2.89Å; V272-V298 HydrophobicContact CG1-CG1 3.84Å; V272-V298 HydrophobicContact CG1-CG2 3.83Å; V272-Q482 HydrophobicContact CG1-CG 4.44Å; V272-A485 HydrophobicContact CB-CB 4.42Å; V272-A485 HydrophobicContact CG1-CB 3.76Å; V272-A485 HydrophobicContact CG2-CB 3.69Å; V272-L486 HydrophobicContact CB-CD2 4.36Å; V272-L486 HydrophobicContact CB-CG 4.47Å; V272-L486 HydrophobicContact CG2-CD2 3.8Å; V272-L486 HydrophobicContact CG2-CG 3.9Å; V272-L489 HydrophobicContact CG2-CD1 3.73Å
273	E	97.8	Very high	93.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.1	-176.2	169.8	70	-128.7	0	0	111.2	D248 G250 G251 S275 G278 V279 L282 M296 V298	D248-E273 WeakPolarHBondContact O-CA 3.44Å; G250-E273 PolarHBondContact N-OE1 3.33Å; G251-E273 WeakPolarHBondContact CA-OE2 3.49Å; G251-E273 PolarHBondContact N-OE2 2.94Å; G251-E273 VanDerWaalsContact N-OE2 3.08Å; E273-S275 VanDerWaalsContact OE1-CB 3.28Å; E273-S275 WeakPolarHBondContact OE1-CB 3.43Å; E273-S275 PolarHBondContact OE1-N 2.98Å; E273-S275 PolarHBondContact OE1-OG 2.92Å; E273-G278 VanDerWaalsContact CD-CA 3.47Å; E273-G278 WeakPolarHBondContact OE2-CA 3.39Å; E273-V279 HydrophobicContact CB-CG2 4.4Å; E273-V279 HydrophobicContact CG-CG2 3.8Å; E273-L282 HydrophobicContact CB-CD1 3.58Å; E273-L282 HydrophobicContact CG-CD1 3.91Å; E273-M296 PolarHBondContact N-O 2.78Å; E273-M296 VanDerWaalsContact N-O 3.08Å; E273-V298 VanDerWaalsContact O-CG2 3.27Å; E273-V298 WeakPolarHBondContact O-CG2 3.4Å; E273-V298 PolarHBondContact O-N 2.92Å; E273-V298 VanDerWaalsContact O-N 3.1Å
274	E	92.1	Very high	93.2	Very high	24 Å²	24	45.8 Å²	45.8	11%	0.112	21%	0.21	C	C	.	.			trans	-91.5	-28.9	-176	-161.7	-169.2	148.5	0	0	114.5	D248 D249 V298 N299 K304 T478 Q482	D248-E274 PolarHBondContact O-N 3.31Å; D249-E274 HydrophobicContact CB-CB 4.45Å; E274-V298 HydrophobicContact CB-CG2 4.45Å; E274-N299 WeakPolarHBondContact O-CA 3.33Å; E274-N299 WeakPolarHBondContact O-CB 3.2Å; E274-N299 PolarHBondContact O-OD1 3.01Å; E274-N299 VanDerWaalsContact O-OD1 3.12Å; E274-K304 WeakPolarHBondContact OE1-CE 3.3Å; E274-K304 IonicContact OE1-NZ 3.16Å; E274-K304 PolarHBondContact OE1-NZ 2.78Å; E274-T478 HydrophobicContact CG-CG2 4.13Å; E274-T478 WeakPolarHBondContact OE1-CG2 3.27Å; E274-T478 WeakPolarHBondContact OE2-CG2 3.4Å; E274-Q482 PolarHBondContact OE2-NE2 3.06Å
275	S	88.4	Confident	93.2	Very high	16 Å²	16	46.7 Å²	46.7	11%	0.112	21%	0.214	C	C	.	.	S	Bend	trans	-96	148.3	-167.2	79	0	0	0	0	113.7	G250 E273 T277 G278 V279	G250-S275 WeakPolarHBondContact CA-OG 3.32Å; G250-S275 PolarHBondContact N-OG 3.25Å; E273-S275 VanDerWaalsContact OE1-CB 3.28Å; E273-S275 WeakPolarHBondContact OE1-CB 3.43Å; E273-S275 PolarHBondContact OE1-N 2.98Å; E273-S275 PolarHBondContact OE1-OG 2.92Å; S275-T277 PolarHBondContact O-N 3.07Å; S275-G278 PolarHBondContact O-N 2.87Å; S275-G278 PolarHBondContact OG-N 2.63Å; S275-V279 VanDerWaalsContact O-CB 3.27Å; S275-V279 WeakPolarHBondContact O-CB 3.43Å; S275-V279 VanDerWaalsContact O-CG2 3.24Å; S275-V279 WeakPolarHBondContact O-CG2 3.26Å; S275-V279 PolarHBondContact O-N 3.37Å
276	V	85.3	Confident	93.2	Very high	89 Å²	89	47.9 Å²	47.9	54%	0.539	22%	0.222	S	C	.	.	H	α-helix	trans	-52.1	-41.2	169.3	179	0	0	0	0	111.8	H280 N299	V276-H280 VanDerWaalsContact O-CB 3.3Å; V276-H280 WeakPolarHBondContact O-CB 3.5Å; V276-H280 PolarHBondContact O-N 2.86Å; V276-N299 WeakPolarHBondContact CG2-OD1 3.44Å; V276-N299 PolarHBondContact N-OD1 2.99Å
277	T	81.6	Confident	93.3	Very high	36 Å²	36	49.2 Å²	49.2	22%	0.221	23%	0.228	C	C	.	.	H	α-helix	trans	-76.4	-41	-173.5	-68.3	0	0	0	0	112.5	S275 H280 R281 H419	S275-T277 PolarHBondContact O-N 3.07Å; T277-H280 PolarHBondContact O-N 3.32Å; T277-R281 WeakPolarHBondContact O-CD 3.48Å; T277-R281 VanDerWaalsContact O-CG 3.26Å; T277-R281 WeakPolarHBondContact O-CG 3.49Å; T277-R281 PolarHBondContact O-N 2.98Å; T277-H419 PolarHBondContact OG1-CE1 3.29Å; T277-H419 PolarHBondContact OG1-NE2 2.67Å
278	G	89.5	Confident	93.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.3	-41.7	172.1	0	0	0	0	0	112.1	G250 E273 S275 H280 R281 L282	G250-G278 WeakPolarHBondContact O-CA 3.43Å; E273-G278 VanDerWaalsContact CD-CA 3.47Å; E273-G278 WeakPolarHBondContact OE2-CA 3.39Å; S275-G278 PolarHBondContact O-N 2.87Å; S275-G278 PolarHBondContact OG-N 2.63Å; G278-H280 VanDerWaalsContact C-N 3.3Å; G278-H280 PolarHBondContact O-N 2.99Å; G278-R281 WeakPolarHBondContact O-CB 3.1Å; G278-R281 PolarHBondContact O-N 3.27Å; G278-R281 VanDerWaalsContact O-N 3.16Å; G278-L282 WeakPolarHBondContact O-CG 3.36Å; G278-L282 PolarHBondContact O-N 3.42Å
279	V	93.8	Very high	93.3	Very high	7 Å²	7	49.2 Å²	49.2	4%	0.042	26%	0.259	C	S	.	.	H	α-helix	trans	-57.6	-44	172	164.6	0	0	0	0	110.8	E273 S275 L282 Y283 N297 N299	E273-V279 HydrophobicContact CB-CG2 4.4Å; E273-V279 HydrophobicContact CG-CG2 3.8Å; S275-V279 VanDerWaalsContact O-CB 3.27Å; S275-V279 WeakPolarHBondContact O-CB 3.43Å; S275-V279 VanDerWaalsContact O-CG2 3.24Å; S275-V279 WeakPolarHBondContact O-CG2 3.26Å; S275-V279 PolarHBondContact O-N 3.37Å; V279-L282 PolarHBondContact O-N 3.02Å; V279-Y283 HydrophobicContact CG1-CD2 3.66Å; V279-Y283 HydrophobicContact CG1-CE2 3.35Å; V279-Y283 VanDerWaalsContact O-CD2 3.27Å; V279-Y283 WeakPolarHBondContact O-CD2 3.41Å; V279-Y283 PolarHBondContact O-N 2.88Å; V279-N297 HydrophobicContact CG1-CB 4.33Å; V279-N297 WeakPolarHBondContact CG1-ND2 3.22Å; V279-N297 HydrophobicContact CG2-CB 3.96Å; V279-N297 WeakPolarHBondContact CG2-OD1 3.43Å; V279-N299 HydrophobicContact CG2-CB 4.06Å
280	H	89.6	Confident	93.2	Very high	109 Å²	109	48.6 Å²	48.6	51%	0.505	26%	0.26	S	S	.	.	H	α-helix	trans	-64.7	-41.7	176.2	-178.6	-122.4	0	0	0	112.5	V276 T277 G278 L282 Y283 Q284	V276-H280 VanDerWaalsContact O-CB 3.3Å; V276-H280 WeakPolarHBondContact O-CB 3.5Å; V276-H280 PolarHBondContact O-N 2.86Å; T277-H280 PolarHBondContact O-N 3.32Å; G278-H280 VanDerWaalsContact C-N 3.3Å; G278-H280 PolarHBondContact O-N 2.99Å; H280-L282 VanDerWaalsContact C-N 3.34Å; H280-L282 PolarHBondContact O-N 3.14Å; H280-Y283 PolarHBondContact O-N 3.11Å; H280-Q284 PolarHBondContact CE1-NE2 2.92Å; H280-Q284 WeakPolarHBondContact O-CG 3.31Å; H280-Q284 PolarHBondContact O-N 2.97Å
281	R	91.3	Very high	93	Very high	80 Å²	80	48.9 Å²	48.9	30%	0.302	26%	0.261	S	S	.	.	H	α-helix	trans	-59.8	-41.1	172.5	-72	159.2	162	-156.5	-6.5	111.6	G250 G251 D252 T277 G278 Q284 L285	G250-R281 WeakPolarHBondContact O-CD 3.28Å; G250-R281 PolarHBondContact O-NH1 2.88Å; G251-R281 VanDerWaalsContact C-NH1 3.31Å; G251-R281 PolarHBondContact O-NH1 3.19Å; D252-R281 VanDerWaalsContact CG-NH1 3.33Å; D252-R281 IonicContact OD1-CZ 2.71Å; D252-R281 VanDerWaalsContact OD1-CZ 3.26Å; D252-R281 IonicContact OD1-NH1 2.99Å; D252-R281 PolarHBondContact OD1-NH1 3.09Å; D252-R281 IonicContact OD1-NH2 3.79Å; D252-R281 PolarHBondContact OD1-NH2 3.49Å; D252-R281 IonicContact OD2-NH1 3.81Å; T277-R281 WeakPolarHBondContact O-CD 3.48Å; T277-R281 VanDerWaalsContact O-CG 3.26Å; T277-R281 WeakPolarHBondContact O-CG 3.49Å; T277-R281 PolarHBondContact O-N 2.98Å; G278-R281 WeakPolarHBondContact O-CB 3.1Å; G278-R281 PolarHBondContact O-N 3.27Å; G278-R281 VanDerWaalsContact O-N 3.16Å; R281-Q284 WeakPolarHBondContact O-CB 3.44Å; R281-Q284 PolarHBondContact O-N 3.1Å; R281-L285 WeakPolarHBondContact O-CG 3.48Å; R281-L285 PolarHBondContact O-N 3.42Å
282	L	96.5	Very high	92.7	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-65.3	-44.6	175.6	-74.4	166.5	0	0	0	112.2	T254 I271 E273 G278 V279 H280 Q284 L285 S286 L291 A295 V501	T254-L282 HydrophobicContact CG2-CD2 4.11Å; I271-L282 HydrophobicContact CD1-CD2 4.01Å; I271-L282 HydrophobicContact CG2-CD1 4.41Å; E273-L282 HydrophobicContact CB-CD1 3.58Å; E273-L282 HydrophobicContact CG-CD1 3.91Å; G278-L282 WeakPolarHBondContact O-CG 3.36Å; G278-L282 PolarHBondContact O-N 3.42Å; V279-L282 PolarHBondContact O-N 3.02Å; H280-L282 VanDerWaalsContact C-N 3.34Å; H280-L282 PolarHBondContact O-N 3.14Å; L282-Q284 VanDerWaalsContact C-N 3.27Å; L282-Q284 PolarHBondContact O-N 3.42Å; L282-L285 PolarHBondContact O-N 3.38Å; L282-L285 VanDerWaalsContact O-N 3.12Å; L282-S286 PolarHBondContact O-N 3.16Å; L282-L291 HydrophobicContact CD2-CD1 4.06Å; L282-A295 HydrophobicContact CD1-CB 3.91Å; L282-A295 HydrophobicContact CD2-CB 3.96Å; L282-A295 HydrophobicContact CG-CB 4.44Å; L282-V501 HydrophobicContact CB-CG2 3.79Å
283	Y	95.8	Very high	92.5	Very high	68 Å²	68	50.8 Å²	50.8	27%	0.267	27%	0.274	S	S	.	.	H	α-helix	trans	-62.4	-33.1	173.8	-78.1	-54.7	0	0	0	112.6	V279 H280 K287 N297 V501	V279-Y283 HydrophobicContact CG1-CD2 3.66Å; V279-Y283 HydrophobicContact CG1-CE2 3.35Å; V279-Y283 VanDerWaalsContact O-CD2 3.27Å; V279-Y283 WeakPolarHBondContact O-CD2 3.41Å; V279-Y283 PolarHBondContact O-N 2.88Å; H280-Y283 PolarHBondContact O-N 3.11Å; Y283-K287 WeakPolarHBondContact O-CB 3.37Å; Y283-K287 VanDerWaalsContact O-CG 3.25Å; Y283-K287 WeakPolarHBondContact O-CG 3.49Å; Y283-K287 PolarHBondContact O-N 3.09Å; Y283-N297 PolarHBondContact OH-ND2 3.36Å; Y283-V501 HydrophobicContact CD1-CB 3.82Å; Y283-V501 HydrophobicContact CD1-CG1 4.22Å; Y283-V501 HydrophobicContact CD1-CG2 3.95Å; Y283-V501 HydrophobicContact CE1-CB 3.54Å; Y283-V501 HydrophobicContact CE1-CG1 3.73Å; Y283-V501 HydrophobicContact CE1-CG2 4.2Å; Y283-V501 HydrophobicContact CE2-CG1 4.37Å; Y283-V501 HydrophobicContact CG-CG2 4.49Å
284	Q	93	Very high	92.5	Very high	105 Å²	105	51.7 Å²	51.7	49%	0.491	28%	0.279	S	S	.	.	H	α-helix	trans	-66.3	-40.6	171.9	-72.1	177.6	-6.8	0	0	112	H280 R281 L282 A288	H280-Q284 PolarHBondContact CE1-NE2 2.92Å; H280-Q284 WeakPolarHBondContact O-CG 3.31Å; H280-Q284 PolarHBondContact O-N 2.97Å; R281-Q284 WeakPolarHBondContact O-CB 3.44Å; R281-Q284 PolarHBondContact O-N 3.1Å; L282-Q284 VanDerWaalsContact C-N 3.27Å; L282-Q284 PolarHBondContact O-N 3.42Å; Q284-A288 WeakPolarHBondContact O-CB 3.41Å; Q284-A288 PolarHBondContact O-N 3.45Å; Q284-A288 VanDerWaalsContact O-N 3.1Å
285	L	93.9	Very high	92.7	Very high	33 Å²	33	50.5 Å²	50.5	17%	0.173	27%	0.274	C	S	.	.	H	α-helix	trans	-66.8	-41.4	175.9	-70.7	172.4	0	0	0	112.2	Y258 R281 L282 A288 G289 K290 L291	Y258-L285 HydrophobicContact CE1-CD2 4Å; R281-L285 WeakPolarHBondContact O-CG 3.48Å; R281-L285 PolarHBondContact O-N 3.42Å; L282-L285 PolarHBondContact O-N 3.38Å; L282-L285 VanDerWaalsContact O-N 3.12Å; L285-A288 PolarHBondContact O-N 2.93Å; L285-G289 PolarHBondContact O-N 3.37Å; L285-K290 HydrophobicContact CD2-CB 3.96Å; L285-K290 PolarHBondContact O-N 3.44Å; L285-L291 HydrophobicContact CB-CB 3.88Å; L285-L291 PolarHBondContact O-N 2.96Å
286	S	95.9	Very high	93.2	Very high	27 Å²	27	49.8 Å²	49.8	19%	0.189	27%	0.269	C	S	.	.	H	α-helix	trans	-60.2	-56.4	173.7	159.2	0	0	0	0	111.2	L282 A288 G289 D500	L282-S286 PolarHBondContact O-N 3.16Å; S286-A288 PolarHBondContact O-N 3.35Å; S286-G289 PolarHBondContact O-N 2.65Å; S286-D500 VanDerWaalsContact CB-OD1 3.32Å; S286-D500 WeakPolarHBondContact CB-OD1 3.49Å; S286-D500 PolarHBondContact OG-OD1 2.92Å
287	K	95	Very high	93.7	Very high	177 Å²	177	45.5 Å²	45.5	77%	0.77	24%	0.243	S	C	*	.	H	α-helix	trans	-59.2	-24.4	179.6	-71.8	171.8	-178.1	175.1	0	113.9	Y283	Y283-K287 WeakPolarHBondContact O-CB 3.37Å; Y283-K287 VanDerWaalsContact O-CG 3.25Å; Y283-K287 WeakPolarHBondContact O-CG 3.49Å; Y283-K287 PolarHBondContact O-N 3.09Å
288	A	95.3	Very high	94.4	Very high	55 Å²	55	43.9 Å²	43.9	46%	0.455	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	1.1	176.5	0	0	0	0	0	114.4	Q284 L285 S286 K290	Q284-A288 WeakPolarHBondContact O-CB 3.41Å; Q284-A288 PolarHBondContact O-N 3.45Å; Q284-A288 VanDerWaalsContact O-N 3.1Å; L285-A288 PolarHBondContact O-N 2.93Å; S286-A288 PolarHBondContact O-N 3.35Å; A288-K290 VanDerWaalsContact C-N 3.26Å; A288-K290 HydrophobicContact CB-CB 4.41Å; A288-K290 HydrophobicContact CB-CD 3.94Å; A288-K290 HydrophobicContact CB-CG 4.22Å; A288-K290 PolarHBondContact O-N 3.03Å
289	G	94.1	Very high	94.5	Very high	71 Å²	71	44.2 Å²	44.2	73%	0.732	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	28.1	-174.9	0	0	0	0	0	113.7	L285 S286	L285-G289 PolarHBondContact O-N 3.37Å; S286-G289 PolarHBondContact O-N 2.65Å
290	K	93.5	Very high	94.4	Very high	121 Å²	121	46.8 Å²	46.8	53%	0.526	25%	0.248	S	C	.	.			trans	-115.5	-18.9	-171.9	-74.7	173.1	-172.2	174.1	0	114.2	L285 A288	L285-K290 HydrophobicContact CD2-CB 3.96Å; L285-K290 PolarHBondContact O-N 3.44Å; A288-K290 VanDerWaalsContact C-N 3.26Å; A288-K290 HydrophobicContact CB-CB 4.41Å; A288-K290 HydrophobicContact CB-CD 3.94Å; A288-K290 HydrophobicContact CB-CG 4.22Å; A288-K290 PolarHBondContact O-N 3.03Å
291	L	94.5	Very high	94.5	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.026	23%	0.226	C	C	.	.			trans	-68	127	164	-175.9	60.9	0	0	0	107.5	F265 I271 L282 L285 V293 A295 V501	F265-L291 HydrophobicContact CZ-CD1 4.42Å; I271-L291 HydrophobicContact CD1-CD1 4.33Å; L282-L291 HydrophobicContact CD2-CD1 4.06Å; L285-L291 HydrophobicContact CB-CB 3.88Å; L285-L291 PolarHBondContact O-N 2.96Å; L291-V293 HydrophobicContact CD1-CG2 4.16Å; L291-V293 WeakPolarHBondContact CD1-O 3.28Å; L291-V293 VanDerWaalsContact CG-O 3.22Å; L291-V293 WeakPolarHBondContact CG-O 3.35Å; L291-A295 HydrophobicContact CD2-CB 4.46Å; L291-V501 HydrophobicContact CD2-CG2 3.91Å
292	C	91.1	Very high	94.5	Very high	37 Å²	37	39.3 Å²	39.3	25%	0.25	22%	0.219	C	C	.	.			trans	-121.5	10.2	-178.3	71.8	0	0	0	0	113.7	F265 Q499	F265-C292 VanDerWaalsContact CD1-SG 3.52Å; C292-Q499 PolarHBondContact O-NE2 2.96Å
293	V	94.2	Very high	94.2	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.024	22%	0.222	C	C	.	.	S	Bend	trans	-141.5	150.3	-179.3	-60	0	0	0	0	108.3	F265 I268 I271 L291	F265-V293 HydrophobicContact CE1-CG2 4.23Å; F265-V293 HydrophobicContact CE2-CG2 4.44Å; F265-V293 HydrophobicContact CZ-CG2 3.97Å; F265-V293 VanDerWaalsContact O-CG1 3.27Å; F265-V293 WeakPolarHBondContact O-CG1 3.49Å; I268-V293 HydrophobicContact CB-CG1 4.23Å; I268-V293 WeakPolarHBondContact O-CG1 3.08Å; I271-V293 HydrophobicContact CD1-CG2 3.55Å; I271-V293 HydrophobicContact CG1-CG2 3.95Å; L291-V293 HydrophobicContact CD1-CG2 4.16Å; L291-V293 WeakPolarHBondContact CD1-O 3.28Å; L291-V293 VanDerWaalsContact CG-O 3.22Å; L291-V293 WeakPolarHBondContact CG-O 3.35Å
294	P	97.3	Very high	93.9	Very high	18 Å²	18	36.9 Å²	36.9	12%	0.117	21%	0.211	C	C	.	.			trans	-67.4	144.8	177	29.5	-35	0	0	0	110.8	R269 G270 I271 L489 K498	R269-P294 WeakPolarHBondContact O-CD 3.45Å; R269-P294 WeakPolarHBondContact O-CG 3.4Å; G270-P294 WeakPolarHBondContact CA-O 3.31Å; I271-P294 PolarHBondContact N-O 3.15Å; P294-L489 HydrophobicContact CB-CD2 4.38Å; P294-L489 HydrophobicContact CG-CD2 4.49Å; P294-K498 VanDerWaalsContact CA-O 3.31Å; P294-K498 WeakPolarHBondContact CA-O 3.36Å; P294-K498 VanDerWaalsContact CB-O 3.29Å; P294-K498 WeakPolarHBondContact CB-O 3.47Å
295	A	98.1	Very high	93.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.8	170.5	0	0	0	0	0	110.8	I271 L282 L291 D500 V501 Y502	I271-A295 HydrophobicContact CB-CB 4.05Å; I271-A295 CarbonylContact O-C 3.01Å; I271-A295 VanDerWaalsContact O-CA 3.3Å; I271-A295 WeakPolarHBondContact O-CA 3.44Å; L282-A295 HydrophobicContact CD1-CB 3.91Å; L282-A295 HydrophobicContact CD2-CB 3.96Å; L282-A295 HydrophobicContact CG-CB 4.44Å; L291-A295 HydrophobicContact CD2-CB 4.46Å; A295-D500 PolarHBondContact N-O 3.44Å; A295-V501 HydrophobicContact CB-CG2 4.37Å; A295-V501 WeakPolarHBondContact O-CA 3.32Å; A295-Y502 PolarHBondContact O-N 3.34Å
296	M	97.9	Very high	93.5	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	113.5	172.8	-169.1	167.7	-71.4	0	0	110	I271 E273 V298 A485 E488 L489 Y497 Y502 L504	I271-M296 PolarHBondContact O-N 3.32Å; E273-M296 PolarHBondContact N-O 2.78Å; E273-M296 VanDerWaalsContact N-O 3.08Å; M296-V298 HydrophobicContact CG-CG1 4.26Å; M296-V298 PolarHBondContact O-N 2.97Å; M296-A485 HydrophobicContact CG-CB 4.24Å; M296-A485 HydrophobicContact SD-CB 3.49Å; M296-A485 WeakPolarHBondContact SD-CB 3.11Å; M296-E488 HydrophobicContact CE-CB 4.47Å; M296-E488 HydrophobicContact CE-CG 3.91Å; M296-L489 HydrophobicContact CB-CD1 3.8Å; M296-L489 HydrophobicContact CB-CD2 4.46Å; M296-L489 HydrophobicContact CB-CG 4.26Å; M296-L489 HydrophobicContact CE-CD2 4.03Å; M296-L489 HydrophobicContact CE-CG 4.11Å; M296-Y497 HydrophobicContact CE-CE1 4.33Å; M296-Y497 HydrophobicContact CE-CE2 4.38Å; M296-Y502 CarbonylContact C-O 3.42Å; M296-Y502 WeakPolarHBondContact CA-O 3.49Å; M296-L504 HydrophobicContact SD-CB 4.12Å; M296-L504 HydrophobicContact SD-CD1 3.54Å; M296-L504 VanDerWaalsContact SD-CD1 3.54Å; M296-L504 HydrophobicContact SD-CG 4.44Å
297	N	96.8	Very high	93.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	107.8	170	169.5	-1.4	0	0	0	107.9	V279 Y283 N299 D300 V501 Y502 L503	V279-N297 HydrophobicContact CG1-CB 4.33Å; V279-N297 WeakPolarHBondContact CG1-ND2 3.22Å; V279-N297 HydrophobicContact CG2-CB 3.96Å; V279-N297 WeakPolarHBondContact CG2-OD1 3.43Å; Y283-N297 PolarHBondContact OH-ND2 3.36Å; N297-N299 WeakPolarHBondContact OD1-CB 3.18Å; N297-N299 PolarHBondContact OD1-N 2.97Å; N297-D300 PolarHBondContact ND2-OD2 3.32Å; N297-D300 PolarHBondContact OD1-N 2.99Å; N297-V501 HydrophobicContact CB-CG1 3.92Å; N297-Y502 PolarHBondContact N-O 3.43Å; N297-L503 HydrophobicContact CB-CD2 4.34Å
298	V	95.5	Very high	93	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	17%	0.174	C	C	.	.			trans	-99.3	-11	171.9	-63	0	0	0	0	112.9	V272 E273 E274 M296 D300 S301 K304 T481 Q482 A485	V272-V298 HydrophobicContact CG1-CG1 3.84Å; V272-V298 HydrophobicContact CG1-CG2 3.83Å; E273-V298 VanDerWaalsContact O-CG2 3.27Å; E273-V298 WeakPolarHBondContact O-CG2 3.4Å; E273-V298 PolarHBondContact O-N 2.92Å; E273-V298 VanDerWaalsContact O-N 3.1Å; E274-V298 HydrophobicContact CB-CG2 4.45Å; M296-V298 HydrophobicContact CG-CG1 4.26Å; M296-V298 PolarHBondContact O-N 2.97Å; V298-D300 VanDerWaalsContact C-N 3.26Å; V298-D300 PolarHBondContact O-N 3.2Å; V298-S301 WeakPolarHBondContact O-CB 3.26Å; V298-S301 PolarHBondContact O-N 3.21Å; V298-K304 WeakPolarHBondContact O-CB 3.24Å; V298-K304 WeakPolarHBondContact O-CG 3.49Å; V298-T481 HydrophobicContact CB-CG2 3.8Å; V298-T481 HydrophobicContact CG1-CG2 3.93Å; V298-Q482 HydrophobicContact CG2-CG 4.1Å; V298-A485 HydrophobicContact CG1-CB 3.62Å
299	N	91.8	Very high	92.6	Very high	8 Å²	8	28 Å²	28	4%	0.043	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-46.4	169.1	-173.3	79.7	0	0	0	111.8	E274 V276 V279 N297 S301	E274-N299 WeakPolarHBondContact O-CA 3.33Å; E274-N299 WeakPolarHBondContact O-CB 3.2Å; E274-N299 PolarHBondContact O-OD1 3.01Å; E274-N299 VanDerWaalsContact O-OD1 3.12Å; V276-N299 WeakPolarHBondContact CG2-OD1 3.44Å; V276-N299 PolarHBondContact N-OD1 2.99Å; V279-N299 HydrophobicContact CG2-CB 4.06Å; N297-N299 WeakPolarHBondContact OD1-CB 3.18Å; N297-N299 PolarHBondContact OD1-N 2.97Å; N299-S301 VanDerWaalsContact C-N 3.32Å
300	D	91.4	Very high	92.5	Very high	61 Å²	61	25.7 Å²	25.7	33%	0.326	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	13.9	-175.6	-59.6	-22	0	0	0	112.9	N297 V298 L503	N297-D300 PolarHBondContact ND2-OD2 3.32Å; N297-D300 PolarHBondContact OD1-N 2.99Å; V298-D300 VanDerWaalsContact C-N 3.26Å; V298-D300 PolarHBondContact O-N 3.2Å; D300-L503 HydrophobicContact CB-CD2 3.73Å
301	S	91.8	Very high	92.6	Very high	4 Å²	4	24.8 Å²	24.8	3%	0.028	12%	0.124	C	C	.	.	S	Bend	trans	-64.9	137	161.9	-152.8	0	0	0	0	108.3	V298 N299 T303 K304 Q305 D509	V298-S301 WeakPolarHBondContact O-CB 3.26Å; V298-S301 PolarHBondContact O-N 3.21Å; N299-S301 VanDerWaalsContact C-N 3.32Å; S301-T303 VanDerWaalsContact C-N 3.29Å; S301-T303 PolarHBondContact O-N 2.94Å; S301-K304 PolarHBondContact O-N 2.9Å; S301-Q305 WeakPolarHBondContact O-CB 3.29Å; S301-Q305 PolarHBondContact O-N 2.95Å; S301-D509 PolarHBondContact OG-OD1 3.24Å
302	V	91.1	Very high	92.5	Very high	28 Å²	28	24.5 Å²	24.5	17%	0.17	12%	0.123	C	C	.	.	H	α-helix	trans	-63.9	-39.2	-171.8	-178.2	0	0	0	0	110.8	K306 D509 Y550	V302-K306 HydrophobicContact CG1-CG 4.14Å; V302-K306 WeakPolarHBondContact O-CB 3.36Å; V302-K306 VanDerWaalsContact O-CG 3.28Å; V302-K306 WeakPolarHBondContact O-CG 3.46Å; V302-K306 PolarHBondContact O-N 2.83Å; V302-D509 WeakPolarHBondContact CB-OD2 3.39Å; V302-D509 VanDerWaalsContact CG2-OD2 3.31Å; V302-D509 WeakPolarHBondContact CG2-OD2 3.14Å; V302-D509 PolarHBondContact N-OD1 3.41Å; V302-D509 PolarHBondContact N-OD2 2.67Å; V302-Y550 HydrophobicContact CB-CD2 4.26Å; V302-Y550 HydrophobicContact CB-CE2 4.3Å; V302-Y550 HydrophobicContact CG1-CD1 4.16Å; V302-Y550 HydrophobicContact CG1-CD2 3.49Å; V302-Y550 VanDerWaalsContact CG1-CD2 3.49Å; V302-Y550 HydrophobicContact CG1-CE2 3.94Å; V302-Y550 HydrophobicContact CG1-CG 3.62Å; V302-Y550 HydrophobicContact CG2-CD2 3.79Å; V302-Y550 HydrophobicContact CG2-CE2 3.65Å
303	T	89.8	Confident	92.6	Very high	11 Å²	11	23 Å²	23	7%	0.067	11%	0.112	C	C	.	.	H	α-helix	trans	-61.8	-49.9	175.2	52.2	0	0	0	0	111.9	S301 F307 D509 V512 A513	S301-T303 VanDerWaalsContact C-N 3.29Å; S301-T303 PolarHBondContact O-N 2.94Å; T303-F307 WeakPolarHBondContact O-CB 3.25Å; T303-F307 VanDerWaalsContact O-CD2 3.32Å; T303-F307 WeakPolarHBondContact O-CD2 3.29Å; T303-F307 PolarHBondContact O-N 3.18Å; T303-D509 WeakPolarHBondContact CB-OD1 3.43Å; T303-D509 WeakPolarHBondContact CG2-O 3.38Å; T303-D509 WeakPolarHBondContact CG2-OD1 3.3Å; T303-D509 PolarHBondContact N-OD1 3.19Å; T303-D509 PolarHBondContact OG1-OD1 3.14Å; T303-V512 HydrophobicContact CG2-CB 4.28Å; T303-V512 HydrophobicContact CG2-CG1 4.19Å; T303-A513 HydrophobicContact CG2-CB 3.97Å
304	K	89.8	Confident	92.7	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.035	13%	0.126	C	C	.	.	H	α-helix	trans	-57.1	-53.2	174.8	-154.4	-72.6	-172.3	-178	0	111	E274 V298 S301 K306 F307 D308	E274-K304 WeakPolarHBondContact OE1-CE 3.3Å; E274-K304 IonicContact OE1-NZ 3.16Å; E274-K304 PolarHBondContact OE1-NZ 2.78Å; V298-K304 WeakPolarHBondContact O-CB 3.24Å; V298-K304 WeakPolarHBondContact O-CG 3.49Å; S301-K304 PolarHBondContact O-N 2.9Å; K304-K306 PolarHBondContact O-N 3.05Å; K304-F307 PolarHBondContact O-N 2.97Å; K304-D308 HydrophobicContact CD-CB 3.96Å; K304-D308 IonicContact NZ-OD2 2.8Å; K304-D308 PolarHBondContact NZ-OD2 3.22Å; K304-D308 WeakPolarHBondContact O-CB 3.39Å; K304-D308 PolarHBondContact O-N 3.38Å
305	Q	88.2	Confident	92.6	Very high	63 Å²	63	31.6 Å²	31.6	29%	0.294	15%	0.147	S	C	.	.	I	π-helix	trans	-60.9	-40.6	-175.2	-171	-178.9	79.5	0	0	112.9	S301 N309 E341	S301-Q305 WeakPolarHBondContact O-CB 3.29Å; S301-Q305 PolarHBondContact O-N 2.95Å; Q305-N309 VanDerWaalsContact O-CB 3.28Å; Q305-N309 WeakPolarHBondContact O-CB 3.42Å; Q305-N309 PolarHBondContact O-N 3.22Å; Q305-N309 PolarHBondContact O-ND2 2.95Å; Q305-E341 HydrophobicContact CG-CG 4.46Å
306	K	91.2	Very high	92.4	Very high	35 Å²	35	31.7 Å²	31.7	15%	0.152	15%	0.147	C	C	.	.	I	π-helix	trans	-80	-39.6	179.7	-60.1	-69.5	175	171.4	0	112.2	V302 K304 L310 Y311 E341 Y550	V302-K306 HydrophobicContact CG1-CG 4.14Å; V302-K306 WeakPolarHBondContact O-CB 3.36Å; V302-K306 VanDerWaalsContact O-CG 3.28Å; V302-K306 WeakPolarHBondContact O-CG 3.46Å; V302-K306 PolarHBondContact O-N 2.83Å; K304-K306 PolarHBondContact O-N 3.05Å; K306-L310 VanDerWaalsContact O-CB 3.28Å; K306-L310 WeakPolarHBondContact O-CB 3.33Å; K306-L310 PolarHBondContact O-N 2.57Å; K306-Y311 WeakPolarHBondContact O-CD2 3.29Å; K306-Y311 PolarHBondContact O-N 3.15Å; K306-E341 IonicContact NZ-OE1 2.66Å; K306-E341 PolarHBondContact NZ-OE1 2.99Å; K306-Y550 VanDerWaalsContact CE-O 3.29Å; K306-Y550 WeakPolarHBondContact CE-O 3.46Å; K306-Y550 PolarHBondContact NZ-O 2.73Å
307	F	91.1	Very high	92.4	Very high	59 Å²	59	31.7 Å²	31.7	26%	0.259	15%	0.147	S	C	.	.	I	π-helix	trans	-81.8	-37.2	-175.2	-73.8	-95	0	0	0	114	T303 K304 Y311 C312 F473 V474 I477	T303-F307 WeakPolarHBondContact O-CB 3.25Å; T303-F307 VanDerWaalsContact O-CD2 3.32Å; T303-F307 WeakPolarHBondContact O-CD2 3.29Å; T303-F307 PolarHBondContact O-N 3.18Å; K304-F307 PolarHBondContact O-N 2.97Å; F307-Y311 AromaticContact CD1-CD2 3.81Å; F307-Y311 HydrophobicContact CD1-CD2 3.81Å; F307-Y311 HydrophobicContact CD1-CE2 4.48Å; F307-Y311 HydrophobicContact CD1-CG 4.48Å; F307-Y311 HydrophobicContact CD2-CD2 4.43Å; F307-Y311 HydrophobicContact CE1-CD2 4.03Å; F307-Y311 HydrophobicContact CE1-CE2 4.3Å; F307-Y311 HydrophobicContact CG-CD2 4.04Å; F307-Y311 HydrophobicContact CZ-CD2 4.45Å; F307-Y311 HydrophobicContact CZ-CE2 4.34Å; F307-C312 PolarHBondContact O-N 2.83Å; F307-F473 HydrophobicContact CD1-CE1 4.14Å; F307-F473 HydrophobicContact CE1-CE1 4.07Å; F307-V474 HydrophobicContact CB-CG1 4.41Å; F307-V474 WeakPolarHBondContact O-CG1 3.2Å; F307-I477 HydrophobicContact CB-CD1 3.64Å; F307-I477 HydrophobicContact CB-CG2 4.34Å; F307-I477 HydrophobicContact CD1-CD1 3.37Å; F307-I477 HydrophobicContact CD2-CD1 3.77Å; F307-I477 HydrophobicContact CE1-CD1 3.9Å; F307-I477 HydrophobicContact CE2-CD1 4.25Å; F307-I477 HydrophobicContact CG-CD1 3.28Å; F307-I477 HydrophobicContact CZ-CD1 4.31Å
308	D	87.8	Confident	92.3	Very high	25 Å²	25	33.1 Å²	33.1	13%	0.134	16%	0.155	C	C	.	.	I	π-helix	trans	-78.9	-61.2	175.7	-169.5	38.7	0	0	0	111.4	K304 L310 C312 V474	K304-D308 HydrophobicContact CD-CB 3.96Å; K304-D308 IonicContact NZ-OD2 2.8Å; K304-D308 PolarHBondContact NZ-OD2 3.22Å; K304-D308 WeakPolarHBondContact O-CB 3.39Å; K304-D308 PolarHBondContact O-N 3.38Å; D308-L310 PolarHBondContact O-N 3.01Å; D308-C312 WeakPolarHBondContact O-CB 3.2Å; D308-V474 HydrophobicContact CB-CG1 4.18Å
309	N	87.4	Confident	92.3	Very high	29 Å²	29	35.4 Å²	35.4	16%	0.155	17%	0.167	C	C	.	.	I	π-helix	trans	-73	-34.3	-172.4	-54.4	-53.9	0	0	0	113.5	Q305 C313 E341 V342	Q305-N309 VanDerWaalsContact O-CB 3.28Å; Q305-N309 WeakPolarHBondContact O-CB 3.42Å; Q305-N309 PolarHBondContact O-N 3.22Å; Q305-N309 PolarHBondContact O-ND2 2.95Å; N309-C313 VanDerWaalsContact O-CB 3.28Å; N309-C313 WeakPolarHBondContact O-CB 3.46Å; N309-C313 PolarHBondContact O-SG 2.94Å; N309-E341 HydrophobicContact CB-CB 3.85Å; N309-E341 CarbonylContact O-C 3.26Å; N309-V342 HydrophobicContact CB-CG2 3.93Å; N309-V342 WeakPolarHBondContact O-CA 3.43Å; N309-V342 PolarHBondContact O-N 3.01Å
310	L	92.9	Very high	92.4	Very high	22 Å²	22	35 Å²	35	12%	0.115	17%	0.165	C	C	.	.	I	π-helix	trans	-98.7	-43.7	-178.1	173.9	67.8	0	0	0	113.9	K306 D308 R314 E341 K344	K306-L310 VanDerWaalsContact O-CB 3.28Å; K306-L310 WeakPolarHBondContact O-CB 3.33Å; K306-L310 PolarHBondContact O-N 2.57Å; D308-L310 PolarHBondContact O-N 3.01Å; L310-R314 WeakPolarHBondContact O-CB 3.29Å; L310-E341 HydrophobicContact CB-CB 4.03Å; L310-E341 WeakPolarHBondContact CD1-O 3.48Å; L310-K344 HydrophobicContact CD1-CB 3.74Å
311	Y	94.4	Very high	92.7	Very high	102 Å²	102	32.1 Å²	32.1	40%	0.4	15%	0.15	S	C	.	.	I	π-helix	trans	-86.1	-49.7	-175.6	-67.4	-67.3	0	0	0	113	K306 F307 C313 R314	K306-Y311 WeakPolarHBondContact O-CD2 3.29Å; K306-Y311 PolarHBondContact O-N 3.15Å; F307-Y311 AromaticContact CD1-CD2 3.81Å; F307-Y311 HydrophobicContact CD1-CD2 3.81Å; F307-Y311 HydrophobicContact CD1-CE2 4.48Å; F307-Y311 HydrophobicContact CD1-CG 4.48Å; F307-Y311 HydrophobicContact CD2-CD2 4.43Å; F307-Y311 HydrophobicContact CE1-CD2 4.03Å; F307-Y311 HydrophobicContact CE1-CE2 4.3Å; F307-Y311 HydrophobicContact CG-CD2 4.04Å; F307-Y311 HydrophobicContact CZ-CD2 4.45Å; F307-Y311 HydrophobicContact CZ-CE2 4.34Å; Y311-C313 PolarHBondContact O-N 2.76Å; Y311-R314 WeakPolarHBondContact O-CB 3.5Å; Y311-R314 PolarHBondContact O-N 3.37Å
312	C	93.1	Very high	92.9	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.17	C	C	.	.	I	π-helix	trans	-60	-45.5	175	170.6	0	0	0	0	112.1	F307 D308 R314 E315 S316 V474	F307-C312 PolarHBondContact O-N 2.83Å; D308-C312 WeakPolarHBondContact O-CB 3.2Å; C312-R314 PolarHBondContact O-N 3.33Å; C312-R314 VanDerWaalsContact O-N 3.12Å; C312-E315 PolarHBondContact O-N 2.94Å; C312-S316 WeakPolarHBondContact O-CB 3.38Å; C312-S316 PolarHBondContact O-N 3.33Å; C312-S316 PolarHBondContact O-OG 2.76Å; C312-V474 HydrophobicContact CB-CB 4.45Å; C312-V474 HydrophobicContact CB-CG1 4.06Å; C312-V474 HydrophobicContact CB-CG2 4.17Å
313	C	93.5	Very high	93	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.027	19%	0.185	C	C	.	.	H	α-helix	trans	-64.9	-16.9	-179.2	-64.1	0	0	0	0	113.8	N309 Y311 I317 V342 M417	N309-C313 VanDerWaalsContact O-CB 3.28Å; N309-C313 WeakPolarHBondContact O-CB 3.46Å; N309-C313 PolarHBondContact O-SG 2.94Å; Y311-C313 PolarHBondContact O-N 2.76Å; C313-I317 WeakPolarHBondContact O-CB 3.43Å; C313-I317 WeakPolarHBondContact O-CG2 3.41Å; C313-V342 HydrophobicContact CB-CG1 4.1Å; C313-M417 HydrophobicContact CB-CE 3.8Å
314	R	95.8	Very high	93.2	Very high	85 Å²	85	41.5 Å²	41.5	32%	0.321	18%	0.184	S	C	.	.	H	α-helix	trans	-77.6	-30.6	172.9	-171.5	-171.1	-53.9	-159.3	-1.5	112.6	L310 Y311 C312 A349	L310-R314 WeakPolarHBondContact O-CB 3.29Å; Y311-R314 WeakPolarHBondContact O-CB 3.5Å; Y311-R314 PolarHBondContact O-N 3.37Å; C312-R314 PolarHBondContact O-N 3.33Å; C312-R314 VanDerWaalsContact O-N 3.12Å; R314-A349 HydrophobicContact CG-CB 3.84Å; R314-A349 WeakPolarHBondContact O-CB 3.46Å
315	E	94.8	Very high	93.4	Very high	118 Å²	118	42.2 Å²	42.2	55%	0.551	19%	0.189	S	C	*	.	H	α-helix	trans	-91.4	-51	178.5	-65.5	-178	-174.1	0	0	111.1	C312 I317 L318 D319 P471	C312-E315 PolarHBondContact O-N 2.94Å; E315-I317 VanDerWaalsContact C-N 3.3Å; E315-I317 PolarHBondContact O-N 3.01Å; E315-L318 WeakPolarHBondContact O-CB 3.34Å; E315-L318 PolarHBondContact O-N 2.77Å; E315-D319 PolarHBondContact O-N 3.34Å; E315-D319 VanDerWaalsContact O-N 3.14Å; E315-P471 WeakPolarHBondContact OE2-CG 3.3Å
316	S	94.6	Very high	93.7	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.014	20%	0.204	C	C	.	.	H	α-helix	trans	-66.5	-24.4	-173.6	57.2	0	0	0	0	114.7	C312 L318 G320 N464 S468	C312-S316 WeakPolarHBondContact O-CB 3.38Å; C312-S316 PolarHBondContact O-N 3.33Å; C312-S316 PolarHBondContact O-OG 2.76Å; S316-L318 VanDerWaalsContact C-N 3.34Å; S316-G320 WeakPolarHBondContact O-CA 3.31Å; S316-G320 PolarHBondContact O-N 3.23Å; S316-N464 WeakPolarHBondContact OG-CB 3.28Å; S316-S468 VanDerWaalsContact CA-OG 3.29Å; S316-S468 WeakPolarHBondContact CA-OG 3.28Å; S316-S468 VanDerWaalsContact CB-OG 3.26Å; S316-S468 WeakPolarHBondContact CB-OG 3.49Å; S316-S468 PolarHBondContact O-OG 3.29Å
317	I	96.8	Very high	93.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.9	-39.5	169.5	-173.4	53.1	0	0	0	111.8	C313 E315 L321 C346 A349 L350 I391 M417 L463	C313-I317 WeakPolarHBondContact O-CB 3.43Å; C313-I317 WeakPolarHBondContact O-CG2 3.41Å; E315-I317 VanDerWaalsContact C-N 3.3Å; E315-I317 PolarHBondContact O-N 3.01Å; I317-L321 HydrophobicContact CD1-CD1 3.66Å; I317-L321 HydrophobicContact CD1-CG 3.9Å; I317-L321 HydrophobicContact CG1-CD1 3.92Å; I317-L321 VanDerWaalsContact O-CB 3.29Å; I317-L321 WeakPolarHBondContact O-CB 3.5Å; I317-L321 WeakPolarHBondContact O-CD1 3.25Å; I317-L321 WeakPolarHBondContact O-CG 3.39Å; I317-L321 PolarHBondContact O-N 2.76Å; I317-C346 HydrophobicContact CG1-CB 4.31Å; I317-A349 HydrophobicContact CG2-CB 3.88Å; I317-L350 HydrophobicContact CG1-CD1 4.15Å; I317-I391 HydrophobicContact CD1-CD1 3.9Å; I317-I391 HydrophobicContact CD1-CG1 4.45Å; I317-I391 HydrophobicContact CD1-CG2 4.16Å; I317-I391 HydrophobicContact CG1-CD1 4.14Å; I317-M417 HydrophobicContact CB-CE 4.27Å; I317-M417 HydrophobicContact CB-SD 4.47Å; I317-M417 HydrophobicContact CD1-CG 3.81Å; I317-M417 HydrophobicContact CD1-SD 4.05Å; I317-L463 HydrophobicContact CD1-CD2 3.89Å
318	L	95.6	Very high	94	Very high	31 Å²	31	49.4 Å²	49.4	16%	0.162	23%	0.232	C	C	.	.	H	α-helix	trans	-76.7	-40.5	-177.4	-59.4	-174.5	0	0	0	110.9	E315 S316 K322 A349 L350 L353	E315-L318 WeakPolarHBondContact O-CB 3.34Å; E315-L318 PolarHBondContact O-N 2.77Å; S316-L318 VanDerWaalsContact C-N 3.34Å; L318-K322 VanDerWaalsContact O-CB 3.25Å; L318-K322 WeakPolarHBondContact O-CB 3.49Å; L318-K322 WeakPolarHBondContact O-CD 3.4Å; L318-K322 WeakPolarHBondContact O-CG 3.39Å; L318-K322 PolarHBondContact O-N 3.08Å; L318-K322 VanDerWaalsContact O-N 3.1Å; L318-A349 HydrophobicContact CD1-CB 3.99Å; L318-A349 HydrophobicContact CD2-CB 4.01Å; L318-A349 HydrophobicContact CG-CB 3.92Å; L318-L350 HydrophobicContact CD2-CD2 3.57Å; L318-L350 HydrophobicContact CD2-CG 4.01Å; L318-L353 HydrophobicContact CD1-CD1 4.02Å; L318-L353 HydrophobicContact CD1-CG 4.19Å; L318-L353 HydrophobicContact CD2-CD1 3.69Å; L318-L353 HydrophobicContact CD2-CG 4.31Å; L318-L353 HydrophobicContact CG-CD1 4.37Å
319	D	95.2	Very high	94.3	Very high	49 Å²	49	48.5 Å²	48.5	26%	0.262	23%	0.227	S	C	.	.	H	α-helix	trans	-64.6	-53.3	174.2	-175.8	38	0	0	0	110.8	E315 L321 K322 R323 S468 T469	E315-D319 PolarHBondContact O-N 3.34Å; E315-D319 VanDerWaalsContact O-N 3.14Å; D319-L321 PolarHBondContact O-N 2.93Å; D319-K322 PolarHBondContact O-N 3.29Å; D319-K322 VanDerWaalsContact O-N 3.12Å; D319-R323 VanDerWaalsContact CG-NE 3.29Å; D319-R323 WeakPolarHBondContact O-CG 3.46Å; D319-R323 PolarHBondContact O-N 3.3Å; D319-R323 IonicContact OD1-CZ 2.92Å; D319-R323 IonicContact OD1-NE 3.77Å; D319-R323 PolarHBondContact OD1-NE 3.34Å; D319-R323 IonicContact OD1-NH2 2.79Å; D319-R323 PolarHBondContact OD1-NH2 2.99Å; D319-R323 IonicContact OD2-CZ 2.7Å; D319-R323 IonicContact OD2-NE 3.23Å; D319-R323 PolarHBondContact OD2-NE 3.39Å; D319-R323 VanDerWaalsContact OD2-NE 3.15Å; D319-R323 IonicContact OD2-NH2 3.04Å; D319-R323 PolarHBondContact OD2-NH2 3.45Å; D319-S468 PolarHBondContact OD2-OG 3.47Å; D319-T469 PolarHBondContact OD2-N 2.83Å
320	G	94.9	Very high	94.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.9	-44.8	179.5	0	0	0	0	0	114	S316 T324	S316-G320 WeakPolarHBondContact O-CA 3.31Å; S316-G320 PolarHBondContact O-N 3.23Å; G320-T324 WeakPolarHBondContact O-CB 3.46Å; G320-T324 WeakPolarHBondContact O-CG2 3.27Å; G320-T324 PolarHBondContact O-N 2.95Å; G320-T324 PolarHBondContact O-OG1 3.08Å
321	L	96.4	Very high	95	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.5	-36.7	175.8	-69.9	171.8	0	0	0	112.2	I317 D319 T324 T325 F329 L350 V389 I391 I413 L457 L463	I317-L321 HydrophobicContact CD1-CD1 3.66Å; I317-L321 HydrophobicContact CD1-CG 3.9Å; I317-L321 HydrophobicContact CG1-CD1 3.92Å; I317-L321 VanDerWaalsContact O-CB 3.29Å; I317-L321 WeakPolarHBondContact O-CB 3.5Å; I317-L321 WeakPolarHBondContact O-CD1 3.25Å; I317-L321 WeakPolarHBondContact O-CG 3.39Å; I317-L321 PolarHBondContact O-N 2.76Å; D319-L321 PolarHBondContact O-N 2.93Å; L321-T324 WeakPolarHBondContact CA-OG1 3.11Å; L321-T324 PolarHBondContact O-OG1 3.07Å; L321-T324 VanDerWaalsContact O-OG1 3.11Å; L321-T325 PolarHBondContact O-N 3.12Å; L321-T325 PolarHBondContact O-OG1 2.9Å; L321-F329 HydrophobicContact CB-CE1 4.01Å; L321-F329 HydrophobicContact CB-CZ 3.59Å; L321-F329 HydrophobicContact CD1-CE1 3.84Å; L321-F329 HydrophobicContact CD1-CZ 4.21Å; L321-L350 HydrophobicContact CD1-CD2 4.22Å; L321-V389 HydrophobicContact CD2-CG1 4.35Å; L321-I391 HydrophobicContact CD1-CD1 4.44Å; L321-I413 HydrophobicContact CD2-CG2 4.18Å; L321-L457 HydrophobicContact CD2-CD1 3.69Å; L321-L463 HydrophobicContact CD2-CD2 3.92Å; L321-L463 HydrophobicContact CG-CD2 3.9Å
322	K	95.6	Very high	95.2	Very high	106 Å²	106	49 Å²	49	46%	0.461	26%	0.256	S	S	.	.	H	α-helix	trans	-67.1	-54.1	177.7	-78.9	175.5	179.7	-178.4	0	111.8	L318 D319 T324 T325 D326 F329	L318-K322 VanDerWaalsContact O-CB 3.25Å; L318-K322 WeakPolarHBondContact O-CB 3.49Å; L318-K322 WeakPolarHBondContact O-CD 3.4Å; L318-K322 WeakPolarHBondContact O-CG 3.39Å; L318-K322 PolarHBondContact O-N 3.08Å; L318-K322 VanDerWaalsContact O-N 3.1Å; D319-K322 PolarHBondContact O-N 3.29Å; D319-K322 VanDerWaalsContact O-N 3.12Å; K322-T324 PolarHBondContact O-N 3.12Å; K322-T325 PolarHBondContact O-N 2.87Å; K322-D326 PolarHBondContact O-N 3.12Å; K322-F329 HydrophobicContact CG-CE2 3.92Å
323	R	93.4	Very high	95.4	Very high	127 Å²	127	51.6 Å²	51.6	48%	0.479	27%	0.268	S	S	.	.	H	α-helix	trans	-57.3	-32.7	-178.6	-64.7	-168.6	-160.5	-178.3	7.5	112.7	D319 R440 C467 T469	D319-R323 VanDerWaalsContact CG-NE 3.29Å; D319-R323 WeakPolarHBondContact O-CG 3.46Å; D319-R323 PolarHBondContact O-N 3.3Å; D319-R323 IonicContact OD1-CZ 2.92Å; D319-R323 IonicContact OD1-NE 3.77Å; D319-R323 PolarHBondContact OD1-NE 3.34Å; D319-R323 IonicContact OD1-NH2 2.79Å; D319-R323 PolarHBondContact OD1-NH2 2.99Å; D319-R323 IonicContact OD2-CZ 2.7Å; D319-R323 IonicContact OD2-NE 3.23Å; D319-R323 PolarHBondContact OD2-NE 3.39Å; D319-R323 VanDerWaalsContact OD2-NE 3.15Å; D319-R323 IonicContact OD2-NH2 3.04Å; D319-R323 PolarHBondContact OD2-NH2 3.45Å; R323-R440 PolarHBondContact O-NH1 3.09Å; R323-C467 WeakPolarHBondContact CD-O 3.47Å; R323-T469 PolarHBondContact NH2-OG1 2.66Å
324	T	94.8	Very high	95.7	Very high	6 Å²	6	51.4 Å²	51.4	4%	0.037	27%	0.267	C	S	.	.	H	α-helix	trans	-83	-40.6	-179.5	47.8	0	0	0	0	114	G320 L321 K322 R440 V443 L457 L463 C467	G320-T324 WeakPolarHBondContact O-CB 3.46Å; G320-T324 WeakPolarHBondContact O-CG2 3.27Å; G320-T324 PolarHBondContact O-N 2.95Å; G320-T324 PolarHBondContact O-OG1 3.08Å; L321-T324 WeakPolarHBondContact CA-OG1 3.11Å; L321-T324 PolarHBondContact O-OG1 3.07Å; L321-T324 VanDerWaalsContact O-OG1 3.11Å; K322-T324 PolarHBondContact O-N 3.12Å; T324-R440 WeakPolarHBondContact O-CD 3.21Å; T324-R440 PolarHBondContact O-NH1 2.85Å; T324-V443 HydrophobicContact CG2-CG2 3.72Å; T324-L457 HydrophobicContact CG2-CD1 4.5Å; T324-L457 HydrophobicContact CG2-CD2 4.31Å; T324-L457 WeakPolarHBondContact OG1-CD1 3.42Å; T324-L463 HydrophobicContact CG2-CD1 4.4Å; T324-C467 HydrophobicContact CG2-CB 3.7Å; T324-C467 VanDerWaalsContact CG2-SG 3.55Å
325	T	94.8	Very high	95.8	Very high	23 Å²	23	47.4 Å²	47.4	14%	0.141	25%	0.252	C	S	.	.	H	α-helix	trans	-124.4	-9.5	-164.8	67.2	0	0	0	0	116	L321 K322 V327 I413 I455 L457	L321-T325 PolarHBondContact O-N 3.12Å; L321-T325 PolarHBondContact O-OG1 2.9Å; K322-T325 PolarHBondContact O-N 2.87Å; T325-V327 WeakPolarHBondContact O-CG1 3.36Å; T325-V327 PolarHBondContact O-N 2.98Å; T325-V327 WeakPolarHBondContact OG1-CG2 3.23Å; T325-I413 HydrophobicContact CG2-CD1 3.94Å; T325-I413 HydrophobicContact CG2-CG1 4.26Å; T325-I413 HydrophobicContact CG2-CG2 4.29Å; T325-I455 HydrophobicContact CG2-CG2 4.29Å; T325-L457 HydrophobicContact CG2-CD1 4.24Å; T325-L457 HydrophobicContact CG2-CD2 3.88Å
326	D	93.9	Very high	96	Very high	114 Å²	114	41.8 Å²	41.8	61%	0.61	23%	0.225	S	C	*	.			trans	57	10.9	-179.2	-51.5	-61.1	0	0	0	115.3	K322 R440	K322-D326 PolarHBondContact O-N 3.12Å; D326-R440 IonicContact OD1-NH1 3.8Å; D326-R440 IonicContact OD2-CZ 3.85Å; D326-R440 VanDerWaalsContact OD2-CZ 3.23Å; D326-R440 IonicContact OD2-NH1 3.57Å; D326-R440 PolarHBondContact OD2-NH1 3.07Å; D326-R440 IonicContact OD2-NH2 2.71Å; D326-R440 PolarHBondContact OD2-NH2 3.5Å
327	V	93.4	Very high	96.2	Very high	41 Å²	41	41.7 Å²	41.7	25%	0.248	23%	0.225	C	C	.	.			trans	-78.3	150	-170.9	-57.2	0	0	0	0	114.6	T325 F329 I413	T325-V327 WeakPolarHBondContact O-CG1 3.36Å; T325-V327 PolarHBondContact O-N 2.98Å; T325-V327 WeakPolarHBondContact OG1-CG2 3.23Å; V327-F329 HydrophobicContact CG2-CD1 4.24Å; V327-F329 HydrophobicContact CG2-CE1 3.57Å; V327-F329 HydrophobicContact CG2-CE2 4.31Å; V327-F329 HydrophobicContact CG2-CZ 3.6Å; V327-F329 VanDerWaalsContact O-CE2 3.29Å; V327-F329 WeakPolarHBondContact O-CE2 3.3Å; V327-I413 HydrophobicContact CG1-CD1 4.03Å; V327-I413 HydrophobicContact CG2-CD1 4.11Å
328	M	94.8	Very high	96.3	Very high	154 Å²	154	42 Å²	42	76%	0.759	23%	0.228	S	C	*	.			trans	-83.5	130.8	165.1	-176.1	175.8	-179.4	0	0	110.8	K332	M328-K332 WeakPolarHBondContact O-CG 3.45Å
329	F	95.3	Very high	96.4	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.026	22%	0.221	C	C	.	.			trans	-90.6	-17.5	-177.8	-58.4	-78.4	0	0	0	114.8	L321 K322 V327 G331 K332 L350 L353 A355	L321-F329 HydrophobicContact CB-CE1 4.01Å; L321-F329 HydrophobicContact CB-CZ 3.59Å; L321-F329 HydrophobicContact CD1-CE1 3.84Å; L321-F329 HydrophobicContact CD1-CZ 4.21Å; K322-F329 HydrophobicContact CG-CE2 3.92Å; V327-F329 HydrophobicContact CG2-CD1 4.24Å; V327-F329 HydrophobicContact CG2-CE1 3.57Å; V327-F329 HydrophobicContact CG2-CE2 4.31Å; V327-F329 HydrophobicContact CG2-CZ 3.6Å; V327-F329 VanDerWaalsContact O-CE2 3.29Å; V327-F329 WeakPolarHBondContact O-CE2 3.3Å; F329-G331 PolarHBondContact O-N 3.46Å; F329-K332 VanDerWaalsContact O-CB 3.31Å; F329-K332 WeakPolarHBondContact O-CB 3.49Å; F329-K332 PolarHBondContact O-N 3.26Å; F329-L350 HydrophobicContact CD1-CD2 3.82Å; F329-L350 HydrophobicContact CE1-CD2 4.28Å; F329-L350 HydrophobicContact CG-CD2 4.14Å; F329-L353 HydrophobicContact CB-CB 4.06Å; F329-L353 HydrophobicContact CB-CD1 4.25Å; F329-L353 HydrophobicContact CD2-CD1 3.61Å; F329-L353 HydrophobicContact CE2-CD1 4.42Å; F329-L353 HydrophobicContact CG-CD1 4.19Å; F329-A355 WeakPolarHBondContact O-CA 3.14Å
330	G	97.5	Very high	96.4	Very high	36 Å²	36	39.9 Å²	39.9	37%	0.371	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	120.7	178.7	0	0	0	0	0	111.6	K332 L353	G330-K332 VanDerWaalsContact C-N 3.26Å; G330-K332 PolarHBondContact O-N 3.24Å; G330-L353 WeakPolarHBondContact CA-O 3.31Å; G330-L353 PolarHBondContact N-O 3.1Å
331	G	96.7	Very high	96.3	Very high	59 Å²	59	41.5 Å²	41.5	61%	0.608	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	-1	-176.8	0	0	0	0	0	115.8	F329 G354	F329-G331 PolarHBondContact O-N 3.46Å; G331-G354 PolarHBondContact N-O 3.17Å
332	K	98.2	Very high	96.2	Very high	67 Å²	67	42.6 Å²	42.6	29%	0.291	24%	0.238	S	C	.	.			trans	-70.3	139	175.9	-70.8	-70.7	-176.9	179.1	0	111.2	M328 F329 G330 V356 D388	M328-K332 WeakPolarHBondContact O-CG 3.45Å; F329-K332 VanDerWaalsContact O-CB 3.31Å; F329-K332 WeakPolarHBondContact O-CB 3.49Å; F329-K332 PolarHBondContact O-N 3.26Å; G330-K332 VanDerWaalsContact C-N 3.26Å; G330-K332 PolarHBondContact O-N 3.24Å; K332-V356 PolarHBondContact O-N 2.9Å; K332-D388 HydrophobicContact CB-CB 4.25Å; K332-D388 HydrophobicContact CD-CB 3.61Å; K332-D388 VanDerWaalsContact CD-OD1 3.27Å; K332-D388 WeakPolarHBondContact CD-OD1 3.48Å; K332-D388 HydrophobicContact CG-CB 4.5Å; K332-D388 IonicContact NZ-OD1 3.64Å; K332-D388 PolarHBondContact NZ-OD1 2.78Å
333	Q	98.6	Very high	96.3	Very high	56 Å²	56	37.5 Å²	37.5	26%	0.262	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	119.7	172.3	-72.5	178.1	63.5	0	0	109.3	V356 Y358 V387 D388 V389	Q333-V356 WeakPolarHBondContact CA-O 3.47Å; Q333-V356 HydrophobicContact CG-CB 4.38Å; Q333-Y358 HydrophobicContact CB-CE2 4.18Å; Q333-Y358 HydrophobicContact CG-CE2 4.21Å; Q333-V387 HydrophobicContact CB-CG1 4.45Å; Q333-D388 PolarHBondContact N-OD2 2.98Å; Q333-D388 WeakPolarHBondContact O-CA 3.27Å; Q333-D388 WeakPolarHBondContact O-CB 3.48Å; Q333-D388 PolarHBondContact O-N 3.08Å; Q333-V389 PolarHBondContact O-N 3.47Å
334	V	98.8	Very high	96.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.6	-178	-178.1	0	0	0	0	109.2	V336 L350 A355 V356 V357 Y358 V389 I391	V334-V336 HydrophobicContact CG1-CG2 4.29Å; V334-L350 HydrophobicContact CG1-CD1 4.11Å; V334-A355 HydrophobicContact CG2-CB 3.94Å; V334-V356 PolarHBondContact N-O 3.5Å; V334-V357 HydrophobicContact CB-CG2 4.36Å; V334-V357 CarbonylContact O-C 3.56Å; V334-V357 WeakPolarHBondContact O-CA 3.4Å; V334-Y358 WeakPolarHBondContact O-CD2 3.24Å; V334-Y358 PolarHBondContact O-N 3.48Å; V334-V389 WeakPolarHBondContact CA-O 3.37Å; V334-V389 HydrophobicContact CB-CB 4.49Å; V334-V389 HydrophobicContact CG1-CB 4.16Å; V334-V389 HydrophobicContact CG2-CB 4.06Å; V334-V389 HydrophobicContact CG2-CG2 4.26Å; V334-I391 HydrophobicContact CG1-CD1 3.83Å; V334-I391 HydrophobicContact CG1-CG1 4.32Å
335	V	98.8	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.2	165.8	59.7	0	0	0	0	110.9	Y358 T360 L380 V383 V387 V389 I390 I391	V335-Y358 WeakPolarHBondContact CA-O 3.41Å; V335-T360 HydrophobicContact CG2-CG2 3.63Å; V335-L380 HydrophobicContact CG1-CD1 3.69Å; V335-L380 HydrophobicContact CG2-CD1 4.24Å; V335-V383 HydrophobicContact CB-CG2 4.28Å; V335-V383 HydrophobicContact CG2-CG2 4.26Å; V335-V387 HydrophobicContact CB-CG1 4.04Å; V335-V387 HydrophobicContact CG1-CB 4.26Å; V335-V387 HydrophobicContact CG1-CG1 3.86Å; V335-V387 HydrophobicContact CG1-CG2 4.1Å; V335-V389 PolarHBondContact N-O 3.46Å; V335-I390 HydrophobicContact CG1-CB 4.25Å; V335-I390 HydrophobicContact CG1-CG1 3.72Å; V335-I390 HydrophobicContact CG1-CG2 4.21Å; V335-I391 PolarHBondContact O-N 3.48Å
336	V	98.8	Very high	96.8	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.3	174.5	-175.5	0	0	0	0	108.1	V334 C346 V357 Y358 V359 T360 I391 C393	V334-V336 HydrophobicContact CG1-CG2 4.29Å; V336-C346 HydrophobicContact CG1-CB 4.38Å; V336-C346 HydrophobicContact CG2-CB 4.49Å; V336-V357 HydrophobicContact CG2-CG1 4.04Å; V336-Y358 PolarHBondContact N-O 3.5Å; V336-V359 CarbonylContact O-C 3.53Å; V336-V359 WeakPolarHBondContact O-CA 3.34Å; V336-T360 PolarHBondContact O-N 3.32Å; V336-I391 HydrophobicContact CG2-CB 4.5Å; V336-I391 HydrophobicContact CG2-CD1 4.24Å; V336-C393 HydrophobicContact CG1-CB 4.44Å
337	C	98.6	Very high	97	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	114.2	-179.5	-51.9	0	0	0	0	109	T360 I391 T392 C393 T394 V399	C337-T360 WeakPolarHBondContact CA-OG1 3.38Å; C337-I391 PolarHBondContact N-O 2.86Å; C337-T392 HydrophobicContact CB-CG2 4.39Å; C337-C393 CarbonylContact O-C 3.59Å; C337-C393 WeakPolarHBondContact O-CA 3.29Å; C337-C393 WeakPolarHBondContact O-CB 3.47Å; C337-C393 PolarHBondContact O-N 3.22Å; C337-T394 HydrophobicContact CB-CG2 4.11Å; C337-T394 WeakPolarHBondContact O-CG2 3.47Å; C337-V399 HydrophobicContact CB-CG1 3.68Å
338	G	98	Very high	97.2	Very high	6 Å²	6	26.5 Å²	26.5	6%	0.062	17%	0.168	C	C	.	.			trans	95.3	139.4	-169	0	0	0	0	0	112.4	G343 T360	G338-G343 WeakPolarHBondContact O-CA 3.27Å; G338-T360 PolarHBondContact N-O 3.44Å
339	Y	98.3	Very high	97.4	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.016	13%	0.134	C	C	.	.			trans	-134.4	32.4	-178.7	-154.1	-103.7	0	0	0	112	K344 V359 E361 C366 Q369 A370 D373 F375	Y339-K344 HydrophobicContact CD1-CD 4.48Å; Y339-K344 HydrophobicContact CD1-CG 3.79Å; Y339-K344 HydrophobicContact CD2-CG 4.34Å; Y339-K344 HydrophobicContact CE1-CD 4.28Å; Y339-K344 HydrophobicContact CE1-CG 3.48Å; Y339-K344 VanDerWaalsContact CE1-CG 3.48Å; Y339-K344 HydrophobicContact CE2-CG 4.08Å; Y339-K344 HydrophobicContact CG-CG 4.2Å; Y339-K344 WeakPolarHBondContact O-CE 3.47Å; Y339-V359 HydrophobicContact CD2-CB 4.46Å; Y339-V359 HydrophobicContact CD2-CG1 3.82Å; Y339-V359 HydrophobicContact CD2-CG2 3.74Å; Y339-V359 HydrophobicContact CE2-CG2 3.98Å; Y339-V359 HydrophobicContact CG-CG1 4.07Å; Y339-E361 WeakPolarHBondContact CA-OE1 3.2Å; Y339-E361 PolarHBondContact N-OE1 2.94Å; Y339-C366 WeakPolarHBondContact CD1-O 3.36Å; Y339-Q369 HydrophobicContact CD1-CB 4.35Å; Y339-Q369 HydrophobicContact CE1-CB 4.17Å; Y339-A370 HydrophobicContact CD1-CB 3.69Å; Y339-A370 HydrophobicContact CD2-CB 4.01Å; Y339-A370 VanDerWaalsContact CE1-CA 3.47Å; Y339-A370 HydrophobicContact CE1-CB 3.79Å; Y339-A370 HydrophobicContact CE2-CB 4.1Å; Y339-A370 HydrophobicContact CG-CB 3.81Å; Y339-D373 WeakPolarHBondContact CE1-OD2 3.5Å; Y339-D373 WeakPolarHBondContact OH-CB 3.38Å; Y339-D373 PolarHBondContact OH-OD2 2.6Å; Y339-F375 HydrophobicContact CE2-CD2 4.05Å; Y339-F375 HydrophobicContact CE2-CE2 4.19Å; Y339-F375 WeakPolarHBondContact OH-CD2 3.44Å; Y339-F375 WeakPolarHBondContact OH-CE2 3.43Å
340	G	94.5	Very high	97.5	Very high	32 Å²	32	19.1 Å²	19.1	33%	0.33	13%	0.133	S	C	.	.	S	Bend	trans	-65.5	-172.1	154.2	0	0	0	0	0	111.7	V342 G343 K344	G340-V342 VanDerWaalsContact C-N 3.32Å; G340-V342 PolarHBondContact O-N 2.85Å; G340-G343 PolarHBondContact O-N 2.7Å; G340-K344 WeakPolarHBondContact O-CG 3.18Å; G340-K344 PolarHBondContact O-N 2.81Å
341	E	92.8	Very high	97.6	Very high	35 Å²	35	21.6 Å²	21.6	16%	0.164	13%	0.133	C	C	.	.	H	α-helix	trans	-58.2	-38.9	-174	-64.5	-62.2	-175.1	0	0	113.6	Q305 K306 N309 L310 K344 G345	Q305-E341 HydrophobicContact CG-CG 4.46Å; K306-E341 IonicContact NZ-OE1 2.66Å; K306-E341 PolarHBondContact NZ-OE1 2.99Å; N309-E341 HydrophobicContact CB-CB 3.85Å; N309-E341 CarbonylContact O-C 3.26Å; L310-E341 HydrophobicContact CB-CB 4.03Å; L310-E341 WeakPolarHBondContact CD1-O 3.48Å; E341-K344 PolarHBondContact O-N 3.46Å; E341-G345 PolarHBondContact O-N 3.45Å
342	V	93.8	Very high	97.7	Very high	22 Å²	22	22.8 Å²	22.8	13%	0.133	14%	0.137	C	C	.	.	H	α-helix	trans	-61.3	-47.9	172.3	-178.8	0	0	0	0	111.9	N309 C313 G340 K344 G345 C346 C393 M417	N309-V342 HydrophobicContact CB-CG2 3.93Å; N309-V342 WeakPolarHBondContact O-CA 3.43Å; N309-V342 PolarHBondContact O-N 3.01Å; C313-V342 HydrophobicContact CB-CG1 4.1Å; G340-V342 VanDerWaalsContact C-N 3.32Å; G340-V342 PolarHBondContact O-N 2.85Å; V342-K344 PolarHBondContact O-N 3.49Å; V342-G345 PolarHBondContact O-N 2.72Å; V342-C346 PolarHBondContact O-N 3.01Å; V342-C346 PolarHBondContact O-SG 2.95Å; V342-C393 HydrophobicContact CB-CB 4.36Å; V342-C393 HydrophobicContact CG1-CB 3.96Å; V342-M417 HydrophobicContact CG1-CB 3.93Å
343	G	97.6	Very high	97.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.7	-40.9	179.5	0	0	0	0	0	112.7	G338 G340 S347	G338-G343 WeakPolarHBondContact O-CA 3.27Å; G340-G343 PolarHBondContact O-N 2.7Å; G343-S347 WeakPolarHBondContact O-CB 3.47Å; G343-S347 PolarHBondContact O-N 3.25Å; G343-S347 PolarHBondContact O-OG 3.42Å
344	K	98.3	Very high	97.6	Very high	39 Å²	39	22.2 Å²	22.2	17%	0.17	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-46.9	172.1	-73.7	164.9	178	174.9	0	111.9	L310 Y339 G340 E341 V342 S347 A348	L310-K344 HydrophobicContact CD1-CB 3.74Å; Y339-K344 HydrophobicContact CD1-CD 4.48Å; Y339-K344 HydrophobicContact CD1-CG 3.79Å; Y339-K344 HydrophobicContact CD2-CG 4.34Å; Y339-K344 HydrophobicContact CE1-CD 4.28Å; Y339-K344 HydrophobicContact CE1-CG 3.48Å; Y339-K344 VanDerWaalsContact CE1-CG 3.48Å; Y339-K344 HydrophobicContact CE2-CG 4.08Å; Y339-K344 HydrophobicContact CG-CG 4.2Å; Y339-K344 WeakPolarHBondContact O-CE 3.47Å; G340-K344 WeakPolarHBondContact O-CG 3.18Å; G340-K344 PolarHBondContact O-N 2.81Å; E341-K344 PolarHBondContact O-N 3.46Å; V342-K344 PolarHBondContact O-N 3.49Å; K344-S347 PolarHBondContact O-N 2.94Å; K344-A348 VanDerWaalsContact O-CB 3.25Å; K344-A348 WeakPolarHBondContact O-CB 3.36Å; K344-A348 PolarHBondContact O-N 2.9Å
345	G	97.5	Very high	97.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-56	-52.8	176.4	0	0	0	0	0	111.7	E341 V342 A349	E341-G345 PolarHBondContact O-N 3.45Å; V342-G345 PolarHBondContact O-N 2.72Å; G345-A349 WeakPolarHBondContact O-CB 3.4Å; G345-A349 PolarHBondContact O-N 3.05Å; G345-A349 VanDerWaalsContact O-N 3.08Å
346	C	98.3	Very high	97.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.3	-46	179	-61.5	0	0	0	0	112.7	I317 V336 V342 A349 L350	I317-C346 HydrophobicContact CG1-CB 4.31Å; V336-C346 HydrophobicContact CG1-CB 4.38Å; V336-C346 HydrophobicContact CG2-CB 4.49Å; V342-C346 PolarHBondContact O-N 3.01Å; V342-C346 PolarHBondContact O-SG 2.95Å; C346-A349 PolarHBondContact O-N 3.43Å; C346-L350 WeakPolarHBondContact O-CD1 3.21Å; C346-L350 WeakPolarHBondContact O-CG 3.35Å; C346-L350 PolarHBondContact O-N 3.3Å; C346-L350 VanDerWaalsContact O-N 3.1Å
347	S	98.6	Very high	97.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.8	-42.8	-177.4	-57.5	0	0	0	0	112	G343 K344 K351 F375	G343-S347 WeakPolarHBondContact O-CB 3.47Å; G343-S347 PolarHBondContact O-N 3.25Å; G343-S347 PolarHBondContact O-OG 3.42Å; K344-S347 PolarHBondContact O-N 2.94Å; S347-K351 WeakPolarHBondContact O-CB 3.35Å; S347-K351 PolarHBondContact O-N 2.93Å; S347-F375 WeakPolarHBondContact O-CE1 3.19Å; S347-F375 WeakPolarHBondContact O-CZ 3.46Å
348	A	98.4	Very high	97.6	Very high	40 Å²	40	28.3 Å²	28.3	33%	0.331	18%	0.183	S	C	.	.	H	α-helix	trans	-64.7	-44.2	176.6	0	0	0	0	0	112	K344 L350 A352	K344-A348 VanDerWaalsContact O-CB 3.25Å; K344-A348 WeakPolarHBondContact O-CB 3.36Å; K344-A348 PolarHBondContact O-N 2.9Å; A348-L350 PolarHBondContact O-N 3.02Å; A348-A352 WeakPolarHBondContact O-CB 3.41Å; A348-A352 PolarHBondContact O-N 3.1Å
349	A	98.1	Very high	97.6	Very high	5 Å²	5	28 Å²	28	4%	0.041	18%	0.18	C	C	.	.	H	α-helix	trans	-59.5	-47.4	179.2	0	0	0	0	0	112.6	R314 I317 L318 G345 C346 A352 L353	R314-A349 HydrophobicContact CG-CB 3.84Å; R314-A349 WeakPolarHBondContact O-CB 3.46Å; I317-A349 HydrophobicContact CG2-CB 3.88Å; L318-A349 HydrophobicContact CD1-CB 3.99Å; L318-A349 HydrophobicContact CD2-CB 4.01Å; L318-A349 HydrophobicContact CG-CB 3.92Å; G345-A349 WeakPolarHBondContact O-CB 3.4Å; G345-A349 PolarHBondContact O-N 3.05Å; G345-A349 VanDerWaalsContact O-N 3.08Å; C346-A349 PolarHBondContact O-N 3.43Å; A349-A352 PolarHBondContact O-N 3.45Å; A349-L353 PolarHBondContact O-N 2.87Å
350	L	98.4	Very high	97.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-76	-35.3	-175.9	-68.3	161.3	0	0	0	111.7	I317 L318 L321 F329 V334 C346 A348 A352 L353 G354 A355 V357 I391	I317-L350 HydrophobicContact CG1-CD1 4.15Å; L318-L350 HydrophobicContact CD2-CD2 3.57Å; L318-L350 HydrophobicContact CD2-CG 4.01Å; L321-L350 HydrophobicContact CD1-CD2 4.22Å; F329-L350 HydrophobicContact CD1-CD2 3.82Å; F329-L350 HydrophobicContact CE1-CD2 4.28Å; F329-L350 HydrophobicContact CG-CD2 4.14Å; V334-L350 HydrophobicContact CG1-CD1 4.11Å; C346-L350 WeakPolarHBondContact O-CD1 3.21Å; C346-L350 WeakPolarHBondContact O-CG 3.35Å; C346-L350 PolarHBondContact O-N 3.3Å; C346-L350 VanDerWaalsContact O-N 3.1Å; A348-L350 PolarHBondContact O-N 3.02Å; L350-A352 VanDerWaalsContact C-N 3.3Å; L350-A352 PolarHBondContact O-N 3.34Å; L350-L353 PolarHBondContact O-N 3.12Å; L350-G354 PolarHBondContact O-N 3.19Å; L350-A355 HydrophobicContact CB-CB 4.15Å; L350-A355 VanDerWaalsContact O-CB 3.22Å; L350-A355 WeakPolarHBondContact O-CB 3.32Å; L350-A355 PolarHBondContact O-N 3.38Å; L350-V357 HydrophobicContact CB-CG2 3.95Å; L350-I391 HydrophobicContact CD1-CD1 3.25Å
351	K	98.4	Very high	97.8	Very high	87 Å²	87	29.7 Å²	29.7	38%	0.378	18%	0.181	S	C	.	.	H	α-helix	trans	-61	-37.8	169.6	-177.2	166.5	175.5	171.2	0	112	S347 L353 G354 V357 D373 G374 F375	S347-K351 WeakPolarHBondContact O-CB 3.35Å; S347-K351 PolarHBondContact O-N 2.93Å; K351-L353 VanDerWaalsContact C-N 3.31Å; K351-L353 PolarHBondContact O-N 3.42Å; K351-G354 PolarHBondContact O-N 3.08Å; K351-V357 HydrophobicContact CB-CG2 4.42Å; K351-D373 PolarHBondContact NZ-O 3.3Å; K351-G374 PolarHBondContact NZ-O 2.95Å; K351-F375 HydrophobicContact CB-CE1 3.93Å; K351-F375 HydrophobicContact CB-CZ 4.17Å; K351-F375 HydrophobicContact CD-CD1 4.21Å; K351-F375 HydrophobicContact CD-CE1 3.42Å; K351-F375 VanDerWaalsContact CD-CE1 3.42Å; K351-F375 HydrophobicContact CD-CE2 4.27Å; K351-F375 HydrophobicContact CD-CZ 3.45Å; K351-F375 VanDerWaalsContact CD-CZ 3.45Å; K351-F375 HydrophobicContact CG-CE1 4.29Å; K351-F375 HydrophobicContact CG-CZ 4.47Å
352	A	98.1	Very high	98.1	Very high	85 Å²	85	35.5 Å²	35.5	70%	0.702	21%	0.212	S	C	*	.	H	α-helix	trans	-66.9	-27.7	175.1	0	0	0	0	0	113.6	A348 A349 L350 G354	A348-A352 WeakPolarHBondContact O-CB 3.41Å; A348-A352 PolarHBondContact O-N 3.1Å; A349-A352 PolarHBondContact O-N 3.45Å; L350-A352 VanDerWaalsContact C-N 3.3Å; L350-A352 PolarHBondContact O-N 3.34Å; A352-G354 VanDerWaalsContact C-N 3.25Å; A352-G354 PolarHBondContact O-N 2.99Å
353	L	97.3	Very high	98.3	Very high	67 Å²	67	37.8 Å²	37.8	35%	0.351	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	7.6	169.6	-62.5	-167.9	0	0	0	114	L318 F329 G330 A349 L350 K351	L318-L353 HydrophobicContact CD1-CD1 4.02Å; L318-L353 HydrophobicContact CD1-CG 4.19Å; L318-L353 HydrophobicContact CD2-CD1 3.69Å; L318-L353 HydrophobicContact CD2-CG 4.31Å; L318-L353 HydrophobicContact CG-CD1 4.37Å; F329-L353 HydrophobicContact CB-CB 4.06Å; F329-L353 HydrophobicContact CB-CD1 4.25Å; F329-L353 HydrophobicContact CD2-CD1 3.61Å; F329-L353 HydrophobicContact CE2-CD1 4.42Å; F329-L353 HydrophobicContact CG-CD1 4.19Å; G330-L353 WeakPolarHBondContact CA-O 3.31Å; G330-L353 PolarHBondContact N-O 3.1Å; A349-L353 PolarHBondContact O-N 2.87Å; L350-L353 PolarHBondContact O-N 3.12Å; K351-L353 VanDerWaalsContact C-N 3.31Å; K351-L353 PolarHBondContact O-N 3.42Å
354	G	97.9	Very high	98.3	Very high	44 Å²	44	42.7 Å²	42.7	45%	0.454	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	21	178.7	0	0	0	0	0	114.8	G331 L350 K351 A352	G331-G354 PolarHBondContact N-O 3.17Å; L350-G354 PolarHBondContact O-N 3.19Å; K351-G354 PolarHBondContact O-N 3.08Å; A352-G354 VanDerWaalsContact C-N 3.25Å; A352-G354 PolarHBondContact O-N 2.99Å
355	A	98.5	Very high	98.3	Very high	9 Å²	9	45.6 Å²	45.6	7%	0.074	27%	0.271	C	S	.	.			trans	-75.2	147.8	170.9	0	0	0	0	0	111.6	F329 V334 L350 V357	F329-A355 WeakPolarHBondContact O-CA 3.14Å; V334-A355 HydrophobicContact CG2-CB 3.94Å; L350-A355 HydrophobicContact CB-CB 4.15Å; L350-A355 VanDerWaalsContact O-CB 3.22Å; L350-A355 WeakPolarHBondContact O-CB 3.32Å; L350-A355 PolarHBondContact O-N 3.38Å; A355-V357 HydrophobicContact CB-CG2 4.18Å; A355-V357 PolarHBondContact O-N 3.27Å
356	V	98.6	Very high	98.3	Very high	67 Å²	67	46.7 Å²	46.7	41%	0.406	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	97	172.3	-178.7	0	0	0	0	108	K332 Q333 V334 Y358	K332-V356 PolarHBondContact O-N 2.9Å; Q333-V356 WeakPolarHBondContact CA-O 3.47Å; Q333-V356 HydrophobicContact CG-CB 4.38Å; V334-V356 PolarHBondContact N-O 3.5Å; V356-Y358 HydrophobicContact CG1-CE2 4.09Å
357	V	98.8	Very high	98.3	Very high	12 Å²	12	47.1 Å²	47.1	7%	0.073	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123.1	-173.5	-178.6	0	0	0	0	111.8	V334 V336 L350 K351 A355 F375	V334-V357 HydrophobicContact CB-CG2 4.36Å; V334-V357 CarbonylContact O-C 3.56Å; V334-V357 WeakPolarHBondContact O-CA 3.4Å; V336-V357 HydrophobicContact CG2-CG1 4.04Å; L350-V357 HydrophobicContact CB-CG2 3.95Å; K351-V357 HydrophobicContact CB-CG2 4.42Å; A355-V357 HydrophobicContact CB-CG2 4.18Å; A355-V357 PolarHBondContact O-N 3.27Å; V357-F375 HydrophobicContact CB-CD1 3.7Å; V357-F375 HydrophobicContact CB-CE1 3.72Å; V357-F375 HydrophobicContact CG1-CD1 3.67Å; V357-F375 HydrophobicContact CG1-CE1 3.76Å; V357-F375 HydrophobicContact CG2-CE1 4.35Å
358	Y	98.8	Very high	98.4	Very high	39 Å²	39	52.4 Å²	52.4	15%	0.153	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	152.2	165.9	-55.6	-83	0	0	0	109.9	Q333 V334 V335 V336 V356 R376 V378 V383 V387	Q333-Y358 HydrophobicContact CB-CE2 4.18Å; Q333-Y358 HydrophobicContact CG-CE2 4.21Å; V334-Y358 WeakPolarHBondContact O-CD2 3.24Å; V334-Y358 PolarHBondContact O-N 3.48Å; V335-Y358 WeakPolarHBondContact CA-O 3.41Å; V336-Y358 PolarHBondContact N-O 3.5Å; V356-Y358 HydrophobicContact CG1-CE2 4.09Å; Y358-R376 WeakPolarHBondContact CA-O 3.09Å; Y358-R376 HydrophobicContact CD1-CB 4.13Å; Y358-V378 HydrophobicContact CD1-CG1 4.1Å; Y358-V383 HydrophobicContact CD1-CG1 4.18Å; Y358-V383 HydrophobicContact CE1-CG1 4.36Å; Y358-V383 HydrophobicContact CG-CG1 4.29Å; Y358-V387 HydrophobicContact CD2-CG1 4.29Å
359	V	98.9	Very high	98.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.6	176.8	171.9	0	0	0	0	109.6	V336 Y339 E361 A370 F375 R376 V377 V378	V336-V359 CarbonylContact O-C 3.53Å; V336-V359 WeakPolarHBondContact O-CA 3.34Å; Y339-V359 HydrophobicContact CD2-CB 4.46Å; Y339-V359 HydrophobicContact CD2-CG1 3.82Å; Y339-V359 HydrophobicContact CD2-CG2 3.74Å; Y339-V359 HydrophobicContact CE2-CG2 3.98Å; Y339-V359 HydrophobicContact CG-CG1 4.07Å; V359-E361 HydrophobicContact CG1-CG 4.44Å; V359-A370 HydrophobicContact CB-CB 4.15Å; V359-A370 HydrophobicContact CG1-CB 3.88Å; V359-A370 HydrophobicContact CG2-CB 4.23Å; V359-F375 HydrophobicContact CG2-CB 3.78Å; V359-F375 HydrophobicContact CG2-CD1 4.42Å; V359-F375 HydrophobicContact CG2-CG 4.1Å; V359-R376 PolarHBondContact N-O 3.03Å; V359-V377 HydrophobicContact CB-CG2 4.41Å; V359-V377 HydrophobicContact CG1-CG2 4.46Å; V359-V377 CarbonylContact O-C 3.58Å; V359-V377 VanDerWaalsContact O-CA 3.26Å; V359-V377 WeakPolarHBondContact O-CA 3.32Å; V359-V378 PolarHBondContact O-N 3.23Å
360	T	98.8	Very high	98.4	Very high	22 Å²	22	54 Å²	54	14%	0.135	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132	165.5	80.5	0	0	0	0	109.8	V335 V336 C337 G338 V378 L380	V335-T360 HydrophobicContact CG2-CG2 3.63Å; V336-T360 PolarHBondContact O-N 3.32Å; C337-T360 WeakPolarHBondContact CA-OG1 3.38Å; G338-T360 PolarHBondContact N-O 3.44Å; T360-V378 WeakPolarHBondContact CA-O 3.4Å; T360-V378 WeakPolarHBondContact CB-O 3.28Å; T360-V378 HydrophobicContact CG2-CG2 4.25Å; T360-V378 WeakPolarHBondContact CG2-O 3.47Å; T360-L380 HydrophobicContact CG2-CB 4.19Å
361	E	98.4	Very high	98.4	Very high	50 Å²	50	57.1 Å²	57.1	23%	0.234	33%	0.332	C	S	.	.			trans	-137.5	156.5	179.7	-104.6	-63.6	171.7	0	0	112.2	Y339 V359 D363 C366	Y339-E361 WeakPolarHBondContact CA-OE1 3.2Å; Y339-E361 PolarHBondContact N-OE1 2.94Å; V359-E361 HydrophobicContact CG1-CG 4.44Å; E361-D363 PolarHBondContact OE2-N 3.41Å; E361-C366 HydrophobicContact CG-CB 3.85Å; E361-C366 WeakPolarHBondContact OE1-CB 3.21Å
362	I	97.9	Very high	98.4	Very high	157 Å²	157	60.2 Å²	60.2	81%	0.805	35%	0.35	S	S	*	.	S	Bend	trans	-111.2	-25.9	169.5	62.4	173	0	0	0	111.9
363	D	97.9	Very high	98.4	Very high	69 Å²	69	60.1 Å²	60.1	37%	0.369	34%	0.337	S	S	.	.	S	Bend	trans	-84.9	119.6	174	-173.8	-31.8	0	0	0	109.5	E361 I365 C366 G367	E361-D363 PolarHBondContact OE2-N 3.41Å; D363-I365 PolarHBondContact O-N 3.24Å; D363-I365 WeakPolarHBondContact OD1-CA 3.02Å; D363-I365 VanDerWaalsContact OD1-CB 3.25Å; D363-I365 WeakPolarHBondContact OD1-CB 3.21Å; D363-I365 WeakPolarHBondContact OD1-CG1 3.28Å; D363-I365 PolarHBondContact OD1-N 3.06Å; D363-C366 HydrophobicContact CB-CB 4.16Å; D363-C366 PolarHBondContact O-N 3.18Å; D363-G367 PolarHBondContact O-N 2.86Å
364	P	98.3	Very high	98.5	Very high	103 Å²	103	59.4 Å²	59.4	67%	0.669	35%	0.346	S	S	*	.	H	α-helix	trans	-65.3	-21.5	-179.9	28	-35.5	0	0	0	113.6	L368	P364-L368 WeakPolarHBondContact O-CB 3.47Å; P364-L368 PolarHBondContact O-N 3.19Å
365	I	98.4	Very high	98.5	Very high	101 Å²	101	58 Å²	58	52%	0.518	33%	0.327	S	S	.	.	H	α-helix	trans	-72.7	-48.7	174.7	-55.2	176.7	0	0	0	109.6	D363 L368 Q369	D363-I365 PolarHBondContact O-N 3.24Å; D363-I365 WeakPolarHBondContact OD1-CA 3.02Å; D363-I365 VanDerWaalsContact OD1-CB 3.25Å; D363-I365 WeakPolarHBondContact OD1-CB 3.21Å; D363-I365 WeakPolarHBondContact OD1-CG1 3.28Å; D363-I365 PolarHBondContact OD1-N 3.06Å; I365-L368 PolarHBondContact O-N 3.18Å; I365-Q369 WeakPolarHBondContact O-CG 3.18Å; I365-Q369 PolarHBondContact O-N 3.43Å
366	C	98.2	Very high	98.5	Very high	22 Å²	22	65.5 Å²	65.5	15%	0.149	35%	0.353	C	S	.	.	H	α-helix	trans	-66.2	-38.9	175.6	-76.4	0	0	0	0	111.9	Y339 E361 D363 Q369 A370	Y339-C366 WeakPolarHBondContact CD1-O 3.36Å; E361-C366 HydrophobicContact CG-CB 3.85Å; E361-C366 WeakPolarHBondContact OE1-CB 3.21Å; D363-C366 HydrophobicContact CB-CB 4.16Å; D363-C366 PolarHBondContact O-N 3.18Å; C366-Q369 PolarHBondContact O-N 2.76Å; C366-A370 PolarHBondContact O-N 3.42Å
367	G	98.6	Very high	98.5	Very high	10 Å²	10	64.7 Å²	64.7	10%	0.103	35%	0.349	C	S	.	.	H	α-helix	trans	-61.7	-42.1	172.1	0	0	0	0	0	113	D363 A370 C371 V377	D363-G367 PolarHBondContact O-N 2.86Å; G367-A370 PolarHBondContact O-N 3.27Å; G367-C371 PolarHBondContact O-N 2.97Å; G367-C371 VanDerWaalsContact O-N 3.09Å; G367-C371 PolarHBondContact O-SG 3.48Å; G367-V377 WeakPolarHBondContact O-CG2 3.32Å
368	L	98.7	Very high	98.5	Very high	111 Å²	111	64.6 Å²	64.6	58%	0.581	35%	0.348	S	S	*	.	H	α-helix	trans	-64.9	-40.5	174.3	-179.4	60	0	0	0	111.7	P364 I365 C371 M372	P364-L368 WeakPolarHBondContact O-CB 3.47Å; P364-L368 PolarHBondContact O-N 3.19Å; I365-L368 PolarHBondContact O-N 3.18Å; L368-C371 PolarHBondContact O-N 2.5Å; L368-M372 HydrophobicContact CD1-CG 4.38Å; L368-M372 WeakPolarHBondContact O-CG 3.25Å; L368-M372 PolarHBondContact O-N 3.08Å
369	Q	98.6	Very high	98.5	Very high	78 Å²	78	70 Å²	70	36%	0.364	37%	0.372	S	S	.	.	H	α-helix	trans	-60	-46.6	174.1	-74.2	178.8	-9	0	0	111.6	Y339 I365 C366 C371 M372 D373	Y339-Q369 HydrophobicContact CD1-CB 4.35Å; Y339-Q369 HydrophobicContact CE1-CB 4.17Å; I365-Q369 WeakPolarHBondContact O-CG 3.18Å; I365-Q369 PolarHBondContact O-N 3.43Å; C366-Q369 PolarHBondContact O-N 2.76Å; Q369-C371 VanDerWaalsContact C-N 3.31Å; Q369-C371 PolarHBondContact O-N 2.86Å; Q369-M372 PolarHBondContact O-N 2.73Å; Q369-M372 VanDerWaalsContact O-N 3.08Å; Q369-D373 WeakPolarHBondContact O-CB 3.21Å; Q369-D373 PolarHBondContact O-N 2.99Å
370	A	98.8	Very high	98.5	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-57.2	-42.5	175.7	0	0	0	0	0	112.7	Y339 V359 C366 G367 D373 G374 F375 V377	Y339-A370 HydrophobicContact CD1-CB 3.69Å; Y339-A370 HydrophobicContact CD2-CB 4.01Å; Y339-A370 VanDerWaalsContact CE1-CA 3.47Å; Y339-A370 HydrophobicContact CE1-CB 3.79Å; Y339-A370 HydrophobicContact CE2-CB 4.1Å; Y339-A370 HydrophobicContact CG-CB 3.81Å; V359-A370 HydrophobicContact CB-CB 4.15Å; V359-A370 HydrophobicContact CG1-CB 3.88Å; V359-A370 HydrophobicContact CG2-CB 4.23Å; C366-A370 PolarHBondContact O-N 3.42Å; G367-A370 PolarHBondContact O-N 3.27Å; A370-D373 PolarHBondContact O-N 3.02Å; A370-G374 PolarHBondContact O-N 3.46Å; A370-F375 HydrophobicContact CB-CB 4.45Å; A370-F375 WeakPolarHBondContact O-CB 3.49Å; A370-F375 PolarHBondContact O-N 3.46Å; A370-V377 HydrophobicContact CB-CG2 3.68Å
371	C	98.7	Very high	98.4	Very high	67 Å²	67	73.1 Å²	73.1	45%	0.453	39%	0.388	S	S	.	.	H	α-helix	trans	-61.8	-43.4	174	-72.4	0	0	0	0	112.5	G367 L368 Q369 G374	G367-C371 PolarHBondContact O-N 2.97Å; G367-C371 VanDerWaalsContact O-N 3.09Å; G367-C371 PolarHBondContact O-SG 3.48Å; L368-C371 PolarHBondContact O-N 2.5Å; Q369-C371 VanDerWaalsContact C-N 3.31Å; Q369-C371 PolarHBondContact O-N 2.86Å; C371-G374 PolarHBondContact O-N 3.23Å; C371-G374 VanDerWaalsContact O-N 3.12Å
372	M	98.6	Very high	98.4	Very high	152 Å²	152	75.7 Å²	75.7	75%	0.749	40%	0.4	S	S	*	.	H	α-helix	trans	-70.3	-34.2	179.7	-67.3	-56.8	-59.9	0	0	113	L368 Q369 G374	L368-M372 HydrophobicContact CD1-CG 4.38Å; L368-M372 WeakPolarHBondContact O-CG 3.25Å; L368-M372 PolarHBondContact O-N 3.08Å; Q369-M372 PolarHBondContact O-N 2.73Å; Q369-M372 VanDerWaalsContact O-N 3.08Å; M372-G374 PolarHBondContact O-N 3.41Å
373	D	98.5	Very high	98.4	Very high	83 Å²	83	68.6 Å²	68.6	44%	0.444	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	0.3	171.4	-65.5	-30	0	0	0	112.5	Y339 K351 Q369 A370 F375	Y339-D373 WeakPolarHBondContact CE1-OD2 3.5Å; Y339-D373 WeakPolarHBondContact OH-CB 3.38Å; Y339-D373 PolarHBondContact OH-OD2 2.6Å; K351-D373 PolarHBondContact NZ-O 3.3Å; Q369-D373 WeakPolarHBondContact O-CB 3.21Å; Q369-D373 PolarHBondContact O-N 2.99Å; A370-D373 PolarHBondContact O-N 3.02Å; D373-F375 HydrophobicContact CB-CD2 3.72Å; D373-F375 HydrophobicContact CB-CE2 3.74Å
374	G	98.3	Very high	98.4	Very high	51 Å²	51	65.4 Å²	65.4	53%	0.526	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	41.1	176.4	0	0	0	0	0	113.5	K351 A370 C371 M372	K351-G374 PolarHBondContact NZ-O 2.95Å; A370-G374 PolarHBondContact O-N 3.46Å; C371-G374 PolarHBondContact O-N 3.23Å; C371-G374 VanDerWaalsContact O-N 3.12Å; M372-G374 PolarHBondContact O-N 3.41Å
375	F	98.8	Very high	98.4	Very high	16 Å²	16	69 Å²	69	7%	0.07	35%	0.347	C	S	.	.			trans	-108.5	147.4	167.1	-60.6	-84	0	0	0	110.1	Y339 S347 K351 V357 V359 A370 D373 V377	Y339-F375 HydrophobicContact CE2-CD2 4.05Å; Y339-F375 HydrophobicContact CE2-CE2 4.19Å; Y339-F375 WeakPolarHBondContact OH-CD2 3.44Å; Y339-F375 WeakPolarHBondContact OH-CE2 3.43Å; S347-F375 WeakPolarHBondContact O-CE1 3.19Å; S347-F375 WeakPolarHBondContact O-CZ 3.46Å; K351-F375 HydrophobicContact CB-CE1 3.93Å; K351-F375 HydrophobicContact CB-CZ 4.17Å; K351-F375 HydrophobicContact CD-CD1 4.21Å; K351-F375 HydrophobicContact CD-CE1 3.42Å; K351-F375 VanDerWaalsContact CD-CE1 3.42Å; K351-F375 HydrophobicContact CD-CE2 4.27Å; K351-F375 HydrophobicContact CD-CZ 3.45Å; K351-F375 VanDerWaalsContact CD-CZ 3.45Å; K351-F375 HydrophobicContact CG-CE1 4.29Å; K351-F375 HydrophobicContact CG-CZ 4.47Å; V357-F375 HydrophobicContact CB-CD1 3.7Å; V357-F375 HydrophobicContact CB-CE1 3.72Å; V357-F375 HydrophobicContact CG1-CD1 3.67Å; V357-F375 HydrophobicContact CG1-CE1 3.76Å; V357-F375 HydrophobicContact CG2-CE1 4.35Å; V359-F375 HydrophobicContact CG2-CB 3.78Å; V359-F375 HydrophobicContact CG2-CD1 4.42Å; V359-F375 HydrophobicContact CG2-CG 4.1Å; A370-F375 HydrophobicContact CB-CB 4.45Å; A370-F375 WeakPolarHBondContact O-CB 3.49Å; A370-F375 PolarHBondContact O-N 3.46Å; D373-F375 HydrophobicContact CB-CD2 3.72Å; D373-F375 HydrophobicContact CB-CE2 3.74Å; F375-V377 PolarHBondContact O-N 3.43Å
376	R	98.6	Very high	98.4	Very high	165 Å²	165	68.4 Å²	68.4	62%	0.623	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	112.2	174.1	-174.8	-176.3	166.4	158.9	-5.5	109.5	Y358 V359 V378	Y358-R376 WeakPolarHBondContact CA-O 3.09Å; Y358-R376 HydrophobicContact CD1-CB 4.13Å; V359-R376 PolarHBondContact N-O 3.03Å; R376-V378 HydrophobicContact CG-CG1 3.82Å
377	V	98.8	Very high	98.4	Very high	50 Å²	50	67.4 Å²	67.4	30%	0.303	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	131.5	168.7	-177.7	0	0	0	0	109.8	V359 G367 A370 F375	V359-V377 HydrophobicContact CB-CG2 4.41Å; V359-V377 HydrophobicContact CG1-CG2 4.46Å; V359-V377 CarbonylContact O-C 3.58Å; V359-V377 VanDerWaalsContact O-CA 3.26Å; V359-V377 WeakPolarHBondContact O-CA 3.32Å; G367-V377 WeakPolarHBondContact O-CG2 3.32Å; A370-V377 HydrophobicContact CB-CG2 3.68Å; F375-V377 PolarHBondContact O-N 3.43Å
378	V	98.8	Very high	98.4	Very high	10 Å²	10	68 Å²	68	6%	0.061	34%	0.339	C	S	.	.			trans	-143.2	167.8	-177.1	-61.6	0	0	0	0	110.4	Y358 V359 T360 R376 V383	Y358-V378 HydrophobicContact CD1-CG1 4.1Å; V359-V378 PolarHBondContact O-N 3.23Å; T360-V378 WeakPolarHBondContact CA-O 3.4Å; T360-V378 WeakPolarHBondContact CB-O 3.28Å; T360-V378 HydrophobicContact CG2-CG2 4.25Å; T360-V378 WeakPolarHBondContact CG2-O 3.47Å; R376-V378 HydrophobicContact CG-CG1 3.82Å; V378-V383 HydrophobicContact CB-CG1 4.33Å; V378-V383 HydrophobicContact CG1-CG1 4.25Å; V378-V383 HydrophobicContact CG2-CG1 3.96Å; V378-V383 HydrophobicContact CG2-CG2 3.9Å
379	K	98.6	Very high	98.3	Very high	152 Å²	152	62.9 Å²	62.9	66%	0.661	31%	0.312	S	S	*	.			trans	-86.8	140.1	160.3	-58.2	173.2	-173	172.7	0	108.9	N381 E382	K379-N381 PolarHBondContact O-N 3.22Å; K379-N381 VanDerWaalsContact O-N 3.08Å; K379-E382 HydrophobicContact CB-CG 4.17Å; K379-E382 VanDerWaalsContact CB-OE1 3.32Å; K379-E382 WeakPolarHBondContact CB-OE1 3.49Å; K379-E382 WeakPolarHBondContact CD-OE1 3.39Å; K379-E382 VanDerWaalsContact CG-OE1 3.31Å; K379-E382 WeakPolarHBondContact CG-OE1 3.48Å; K379-E382 PolarHBondContact N-OE1 3.48Å; K379-E382 PolarHBondContact N-OE2 2.95Å; K379-E382 VanDerWaalsContact O-CB 3.31Å; K379-E382 WeakPolarHBondContact O-CB 3.22Å; K379-E382 PolarHBondContact O-N 3.36Å
380	L	98.1	Very high	98.4	Very high	12 Å²	12	59.1 Å²	59.1	6%	0.063	30%	0.295	C	S	.	.	H	α-helix	trans	-50.7	-40.9	-179.3	-178.2	55.2	0	0	0	112.4	V335 T360 E382 V383 I384 V400	V335-L380 HydrophobicContact CG1-CD1 3.69Å; V335-L380 HydrophobicContact CG2-CD1 4.24Å; T360-L380 HydrophobicContact CG2-CB 4.19Å; L380-E382 PolarHBondContact O-N 3.04Å; L380-E382 VanDerWaalsContact O-N 3.11Å; L380-V383 PolarHBondContact O-N 3.1Å; L380-V383 VanDerWaalsContact O-N 3.08Å; L380-I384 HydrophobicContact CD1-CD1 4.13Å; L380-I384 HydrophobicContact CG-CD1 4.27Å; L380-I384 WeakPolarHBondContact O-CB 3.4Å; L380-I384 PolarHBondContact O-N 3.2Å; L380-V400 HydrophobicContact CD2-CG2 4.09Å
381	N	98	Very high	98.4	Very high	77 Å²	77	59.1 Å²	59.1	41%	0.412	30%	0.295	S	S	.	.	H	α-helix	trans	-62.2	-17.3	179.5	-72.1	7.1	0	0	0	115.2	K379 Q404 R407	K379-N381 PolarHBondContact O-N 3.22Å; K379-N381 VanDerWaalsContact O-N 3.08Å; N381-Q404 WeakPolarHBondContact OD1-CG 3.41Å; N381-Q404 PolarHBondContact OD1-NE2 2.81Å; N381-R407 PolarHBondContact O-NH2 2.95Å
382	E	98.1	Very high	98.3	Very high	104 Å²	104	56 Å²	56	49%	0.486	27%	0.273	S	S	.	.	H	α-helix	trans	-79.9	-30.5	175.9	-63.8	163	-157.2	0	0	111.9	K379 L380	K379-E382 HydrophobicContact CB-CG 4.17Å; K379-E382 VanDerWaalsContact CB-OE1 3.32Å; K379-E382 WeakPolarHBondContact CB-OE1 3.49Å; K379-E382 WeakPolarHBondContact CD-OE1 3.39Å; K379-E382 VanDerWaalsContact CG-OE1 3.31Å; K379-E382 WeakPolarHBondContact CG-OE1 3.48Å; K379-E382 PolarHBondContact N-OE1 3.48Å; K379-E382 PolarHBondContact N-OE2 2.95Å; K379-E382 VanDerWaalsContact O-CB 3.31Å; K379-E382 WeakPolarHBondContact O-CB 3.22Å; K379-E382 PolarHBondContact O-N 3.36Å; L380-E382 PolarHBondContact O-N 3.04Å; L380-E382 VanDerWaalsContact O-N 3.11Å
383	V	98.1	Very high	98.2	Very high	8 Å²	8	49.3 Å²	49.3	5%	0.048	24%	0.241	C	C	.	.	H	α-helix	trans	-114.5	-10.1	-172.9	-62	0	0	0	0	114.4	V335 Y358 V378 L380 R385 L386 V387	V335-V383 HydrophobicContact CB-CG2 4.28Å; V335-V383 HydrophobicContact CG2-CG2 4.26Å; Y358-V383 HydrophobicContact CD1-CG1 4.18Å; Y358-V383 HydrophobicContact CE1-CG1 4.36Å; Y358-V383 HydrophobicContact CG-CG1 4.29Å; V378-V383 HydrophobicContact CB-CG1 4.33Å; V378-V383 HydrophobicContact CG1-CG1 4.25Å; V378-V383 HydrophobicContact CG2-CG1 3.96Å; V378-V383 HydrophobicContact CG2-CG2 3.9Å; L380-V383 PolarHBondContact O-N 3.1Å; L380-V383 VanDerWaalsContact O-N 3.08Å; V383-R385 PolarHBondContact O-N 2.82Å; V383-L386 WeakPolarHBondContact O-CB 3.12Å; V383-L386 PolarHBondContact O-N 2.82Å; V383-V387 HydrophobicContact CB-CG1 4.07Å; V383-V387 HydrophobicContact CG2-CG1 4.06Å; V383-V387 PolarHBondContact O-N 2.85Å
384	I	98	Very high	98	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-30.7	-174.3	-168.7	63	0	0	0	115.1	L380 I390 Q404 R407 M408	L380-I384 HydrophobicContact CD1-CD1 4.13Å; L380-I384 HydrophobicContact CG-CD1 4.27Å; L380-I384 WeakPolarHBondContact O-CB 3.4Å; L380-I384 PolarHBondContact O-N 3.2Å; I384-I390 HydrophobicContact CD1-CD1 3.67Å; I384-Q404 HydrophobicContact CD1-CB 3.95Å; I384-Q404 HydrophobicContact CG1-CB 4.1Å; I384-Q404 WeakPolarHBondContact CG1-O 3.28Å; I384-R407 HydrophobicContact CG1-CB 4.4Å; I384-R407 HydrophobicContact CG2-CB 4.3Å; I384-M408 HydrophobicContact CD1-CE 3.89Å; I384-M408 HydrophobicContact CD1-CG 3.66Å; I384-M408 HydrophobicContact CG1-CG 4.16Å
385	R	97.9	Very high	97.4	Very high	178 Å²	178	48 Å²	48	67%	0.672	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.3	178.5	-75.6	178	175.2	176.5	-0.4	114.5	V383 R407	V383-R385 PolarHBondContact O-N 2.82Å; R385-R407 VanDerWaalsContact CG-O 3.27Å; R385-R407 WeakPolarHBondContact CG-O 3.28Å
386	L	97	Very high	97	Very high	89 Å²	89	51.3 Å²	51.3	47%	0.466	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-35.2	-169.6	-54.4	177.3	0	0	0	112.8	V383 K409	V383-L386 WeakPolarHBondContact O-CB 3.12Å; V383-L386 PolarHBondContact O-N 2.82Å; L386-K409 PolarHBondContact O-NZ 3.18Å
387	V	98.2	Very high	96.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.256	C	S	.	.			trans	-64.8	141.1	-174.1	-68.6	0	0	0	0	113.7	Q333 V335 Y358 V383 I390 K409	Q333-V387 HydrophobicContact CB-CG1 4.45Å; V335-V387 HydrophobicContact CB-CG1 4.04Å; V335-V387 HydrophobicContact CG1-CB 4.26Å; V335-V387 HydrophobicContact CG1-CG1 3.86Å; V335-V387 HydrophobicContact CG1-CG2 4.1Å; Y358-V387 HydrophobicContact CD2-CG1 4.29Å; V383-V387 HydrophobicContact CB-CG1 4.07Å; V383-V387 HydrophobicContact CG2-CG1 4.06Å; V383-V387 PolarHBondContact O-N 2.85Å; V387-I390 HydrophobicContact CG2-CD1 3.86Å; V387-I390 HydrophobicContact CG2-CG1 3.7Å; V387-K409 WeakPolarHBondContact O-CD 3.32Å; V387-K409 WeakPolarHBondContact O-CE 3.32Å
388	D	98.5	Very high	96.4	Very high	24 Å²	24	52 Å²	52	13%	0.128	26%	0.263	C	S	.	.	S	Bend	trans	-82.7	-39	169.5	-66.5	-92.7	0	0	0	112.3	K332 Q333 K409 C412 I413	K332-D388 HydrophobicContact CB-CB 4.25Å; K332-D388 HydrophobicContact CD-CB 3.61Å; K332-D388 VanDerWaalsContact CD-OD1 3.27Å; K332-D388 WeakPolarHBondContact CD-OD1 3.48Å; K332-D388 HydrophobicContact CG-CB 4.5Å; K332-D388 IonicContact NZ-OD1 3.64Å; K332-D388 PolarHBondContact NZ-OD1 2.78Å; Q333-D388 PolarHBondContact N-OD2 2.98Å; Q333-D388 WeakPolarHBondContact O-CA 3.27Å; Q333-D388 WeakPolarHBondContact O-CB 3.48Å; Q333-D388 PolarHBondContact O-N 3.08Å; D388-K409 IonicContact OD1-NZ 3.05Å; D388-K409 PolarHBondContact OD1-NZ 3.03Å; D388-K409 IonicContact OD2-NZ 2.64Å; D388-K409 PolarHBondContact OD2-NZ 3.43Å; D388-C412 CarbonylContact O-C 3.57Å; D388-C412 WeakPolarHBondContact O-CA 3.39Å; D388-C412 PolarHBondContact O-SG 3.5Å; D388-I413 PolarHBondContact O-N 3.13Å
389	V	98.6	Very high	96.3	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.012	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138	-174.3	-167.4	0	0	0	0	110.5	L321 Q333 V334 V335 I391 I413	L321-V389 HydrophobicContact CD2-CG1 4.35Å; Q333-V389 PolarHBondContact O-N 3.47Å; V334-V389 WeakPolarHBondContact CA-O 3.37Å; V334-V389 HydrophobicContact CB-CB 4.49Å; V334-V389 HydrophobicContact CG1-CB 4.16Å; V334-V389 HydrophobicContact CG2-CB 4.06Å; V334-V389 HydrophobicContact CG2-CG2 4.26Å; V335-V389 PolarHBondContact N-O 3.46Å; V389-I391 HydrophobicContact CG1-CD1 4.42Å; V389-I391 HydrophobicContact CG1-CG1 4.02Å; V389-I413 CarbonylContact C-O 3.57Å; V389-I413 WeakPolarHBondContact CA-O 3.43Å; V389-I413 HydrophobicContact CG1-CB 4.18Å; V389-I413 HydrophobicContact CG1-CG2 4.18Å; V389-I413 HydrophobicContact CG2-CB 4.32Å; V389-I413 HydrophobicContact CG2-CD1 4.3Å
390	I	98.7	Very high	96.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.9	176.6	-59.9	172.2	0	0	0	108.2	V335 I384 V387 V400 M408 I413 V414 C415	V335-I390 HydrophobicContact CG1-CB 4.25Å; V335-I390 HydrophobicContact CG1-CG1 3.72Å; V335-I390 HydrophobicContact CG1-CG2 4.21Å; I384-I390 HydrophobicContact CD1-CD1 3.67Å; V387-I390 HydrophobicContact CG2-CD1 3.86Å; V387-I390 HydrophobicContact CG2-CG1 3.7Å; I390-V400 HydrophobicContact CG2-CG2 3.81Å; I390-M408 HydrophobicContact CD1-CE 3.38Å; I390-M408 HydrophobicContact CD1-CG 4.03Å; I390-M408 HydrophobicContact CD1-SD 3.74Å; I390-I413 PolarHBondContact N-O 3.37Å; I390-V414 HydrophobicContact CB-CG1 4.48Å; I390-V414 HydrophobicContact CB-CG2 4.42Å; I390-V414 HydrophobicContact CD1-CG2 4.43Å; I390-C415 PolarHBondContact O-N 3.49Å
391	I	98.7	Very high	96.3	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.5	-177.6	-48.9	169.6	0	0	0	107.8	I317 L321 V334 V335 V336 C337 L350 V389 M417	I317-I391 HydrophobicContact CD1-CD1 3.9Å; I317-I391 HydrophobicContact CD1-CG1 4.45Å; I317-I391 HydrophobicContact CD1-CG2 4.16Å; I317-I391 HydrophobicContact CG1-CD1 4.14Å; L321-I391 HydrophobicContact CD1-CD1 4.44Å; V334-I391 HydrophobicContact CG1-CD1 3.83Å; V334-I391 HydrophobicContact CG1-CG1 4.32Å; V335-I391 PolarHBondContact O-N 3.48Å; V336-I391 HydrophobicContact CG2-CB 4.5Å; V336-I391 HydrophobicContact CG2-CD1 4.24Å; C337-I391 PolarHBondContact N-O 2.86Å; L350-I391 HydrophobicContact CD1-CD1 3.25Å; V389-I391 HydrophobicContact CG1-CD1 4.42Å; V389-I391 HydrophobicContact CG1-CG1 4.02Å; I391-M417 HydrophobicContact CG2-CB 4.18Å; I391-M417 HydrophobicContact CG2-CG 3.8Å
392	T	98.5	Very high	96.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.9	177.8	42.9	0	0	0	0	110.7	C337 V399 V400 C415 N416 M417 G418 E423 I424	C337-T392 HydrophobicContact CB-CG2 4.39Å; T392-V399 HydrophobicContact CG2-CB 4.14Å; T392-V399 HydrophobicContact CG2-CG1 4.09Å; T392-V400 HydrophobicContact CG2-CG2 3.63Å; T392-C415 PolarHBondContact N-O 3.24Å; T392-C415 PolarHBondContact OG1-O 3.32Å; T392-N416 PolarHBondContact O-OD1 3.05Å; T392-N416 WeakPolarHBondContact OG1-CA 3.03Å; T392-N416 PolarHBondContact OG1-OD1 2.93Å; T392-M417 PolarHBondContact O-N 2.9Å; T392-G418 PolarHBondContact O-N 3.33Å; T392-E423 WeakPolarHBondContact CB-OE2 3.36Å; T392-E423 HydrophobicContact CG2-CB 4.07Å; T392-I424 HydrophobicContact CG2-CG1 4.3Å
393	C	96.3	Very high	96.3	Very high	12 Å²	12	44.7 Å²	44.7	8%	0.081	23%	0.233	C	C	.	.			trans	-140.7	31.8	-170.8	-56.5	0	0	0	0	111.8	V336 C337 V342 E423	V336-C393 HydrophobicContact CG1-CB 4.44Å; C337-C393 CarbonylContact O-C 3.59Å; C337-C393 WeakPolarHBondContact O-CA 3.29Å; C337-C393 WeakPolarHBondContact O-CB 3.47Å; C337-C393 PolarHBondContact O-N 3.22Å; V342-C393 HydrophobicContact CB-CB 4.36Å; V342-C393 HydrophobicContact CG1-CB 3.96Å; C393-E423 PolarHBondContact N-OE2 2.71Å
394	T	93.6	Very high	96.3	Very high	53 Å²	53	45.3 Å²	45.3	33%	0.325	24%	0.235	S	C	.	.	S	Bend	trans	-102.7	-22.9	-163.5	69.8	0	0	0	0	115.5	C337 N396 V399 E423	C337-T394 HydrophobicContact CB-CG2 4.11Å; C337-T394 WeakPolarHBondContact O-CG2 3.47Å; T394-N396 PolarHBondContact O-N 3.38Å; T394-N396 WeakPolarHBondContact OG1-CB 3.45Å; T394-N396 PolarHBondContact OG1-N 2.83Å; T394-N396 PolarHBondContact OG1-O 3.31Å; T394-V399 HydrophobicContact CG2-CG1 4.13Å; T394-V399 HydrophobicContact CG2-CG2 3.95Å; T394-V399 WeakPolarHBondContact OG1-CG2 3.48Å; T394-E423 WeakPolarHBondContact CB-OE2 3.39Å; T394-E423 PolarHBondContact N-OE1 3.39Å; T394-E423 PolarHBondContact N-OE2 2.99Å; T394-E423 VanDerWaalsContact OG1-CD 3.28Å; T394-E423 PolarHBondContact OG1-OE2 2.83Å
395	G	85.9	Confident	96.3	Very high	54 Å²	54	45.2 Å²	45.2	56%	0.557	24%	0.235	S	C	*	.	S	Bend	trans	70.3	12.4	-165.9	0	0	0	0	0	114.2	E423	G395-E423 VanDerWaalsContact CA-OE1 3.31Å; G395-E423 WeakPolarHBondContact CA-OE1 3.46Å; G395-E423 PolarHBondContact N-OE1 2.95Å
396	N	89.4	Confident	96.3	Very high	85 Å²	85	39.9 Å²	39.9	46%	0.455	22%	0.219	S	C	.	.			trans	-125	160	-170.7	-162	0.1	0	0	0	111.7	T394 E423	T394-N396 PolarHBondContact O-N 3.38Å; T394-N396 WeakPolarHBondContact OG1-CB 3.45Å; T394-N396 PolarHBondContact OG1-N 2.83Å; T394-N396 PolarHBondContact OG1-O 3.31Å; N396-E423 VanDerWaalsContact O-CA 3.3Å; N396-E423 WeakPolarHBondContact O-CA 3.46Å; N396-E423 VanDerWaalsContact O-CG 3.22Å; N396-E423 WeakPolarHBondContact O-CG 3.4Å
397	K	90.6	Very high	96.3	Very high	146 Å²	146	38.8 Å²	38.8	64%	0.635	21%	0.209	S	C	*	.	S	Bend	trans	-93.8	154.4	-174.7	67.3	178.2	-178.3	175.8	0	113.4	V399 T422	K397-V399 VanDerWaalsContact C-N 3.27Å; K397-V399 PolarHBondContact O-N 3.21Å; K397-T422 CarbonylContact C-O 3.48Å; K397-T422 VanDerWaalsContact CA-O 3.28Å; K397-T422 WeakPolarHBondContact CA-O 3.36Å
398	N	94.7	Very high	96.3	Very high	83 Å²	83	39.1 Å²	39.1	44%	0.444	21%	0.211	S	C	.	.			trans	55.6	38.3	171.6	-59.6	47.9	0	0	0	113.3	T401 T422	N398-T401 HydrophobicContact CB-CG2 4.27Å; N398-T401 WeakPolarHBondContact O-CG2 3.49Å; N398-T422 PolarHBondContact N-O 3.43Å
399	V	97.4	Very high	96.2	Very high	30 Å²	30	41 Å²	41	18%	0.182	22%	0.218	C	C	.	.	S	Bend	trans	-70.8	-37.9	174.1	-175.5	0	0	0	0	110.6	C337 T392 T394 K397 Q404 E423	C337-V399 HydrophobicContact CB-CG1 3.68Å; T392-V399 HydrophobicContact CG2-CB 4.14Å; T392-V399 HydrophobicContact CG2-CG1 4.09Å; T394-V399 HydrophobicContact CG2-CG1 4.13Å; T394-V399 HydrophobicContact CG2-CG2 3.95Å; T394-V399 WeakPolarHBondContact OG1-CG2 3.48Å; K397-V399 VanDerWaalsContact C-N 3.27Å; K397-V399 PolarHBondContact O-N 3.21Å; V399-Q404 PolarHBondContact O-OE1 2.87Å; V399-E423 WeakPolarHBondContact CA-O 3.4Å; V399-E423 WeakPolarHBondContact CB-O 3.3Å; V399-E423 HydrophobicContact CG2-CB 4.28Å; V399-E423 PolarHBondContact N-O 3.14Å
400	V	98.2	Very high	96.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-115.6	106.6	172.8	178.8	0	0	0	0	108.3	L380 I390 T392 L405 M408 V414 E423 I424 D425	L380-V400 HydrophobicContact CD2-CG2 4.09Å; I390-V400 HydrophobicContact CG2-CG2 3.81Å; T392-V400 HydrophobicContact CG2-CG2 3.63Å; V400-L405 HydrophobicContact CG1-CD1 4.22Å; V400-L405 HydrophobicContact CG1-CD2 4.18Å; V400-L405 HydrophobicContact CG1-CG 3.91Å; V400-M408 HydrophobicContact CG1-CE 3.53Å; V400-V414 HydrophobicContact CG1-CG1 4.43Å; V400-E423 PolarHBondContact N-O 3.09Å; V400-I424 HydrophobicContact CB-CB 4.48Å; V400-I424 HydrophobicContact CB-CG1 4.2Å; V400-I424 HydrophobicContact CB-CG2 4.39Å; V400-I424 HydrophobicContact CG1-CG2 4.33Å; V400-D425 PolarHBondContact O-N 3.1Å
401	T	98.3	Very high	96.1	Very high	41 Å²	41	47.5 Å²	47.5	25%	0.252	26%	0.261	S	S	.	.			trans	-100.2	167.9	-174.2	60.2	0	0	0	0	112.9	N398 D403 Q404 L405	N398-T401 HydrophobicContact CB-CG2 4.27Å; N398-T401 WeakPolarHBondContact O-CG2 3.49Å; T401-D403 PolarHBondContact O-N 2.72Å; T401-Q404 WeakPolarHBondContact O-CB 3.47Å; T401-Q404 PolarHBondContact O-N 2.98Å; T401-Q404 PolarHBondContact OG1-OE1 3.46Å; T401-L405 WeakPolarHBondContact O-CD1 3.37Å; T401-L405 PolarHBondContact O-N 3.33Å
402	R	97.5	Very high	96.1	Very high	52 Å²	52	47.5 Å²	47.5	20%	0.196	26%	0.261	C	S	.	.	H	α-helix	trans	-51.2	-47.8	176.5	-173.6	58.2	-168	-106.5	-4.7	113.5	Q404 L405 D406 S428 T431 E433	R402-Q404 VanDerWaalsContact C-N 3.27Å; R402-Q404 PolarHBondContact O-N 3.38Å; R402-L405 CarbonylContact O-C 3.59Å; R402-L405 WeakPolarHBondContact O-CB 3.33Å; R402-L405 PolarHBondContact O-N 2.76Å; R402-L405 VanDerWaalsContact O-N 3.15Å; R402-D406 IonicContact CZ-OD1 3.15Å; R402-D406 IonicContact NE-OD1 3.01Å; R402-D406 PolarHBondContact NE-OD1 3.49Å; R402-D406 IonicContact NE-OD2 3.44Å; R402-D406 PolarHBondContact NE-OD2 3.13Å; R402-D406 IonicContact NH2-OD1 2.78Å; R402-D406 WeakPolarHBondContact O-CB 3.4Å; R402-D406 PolarHBondContact O-N 3.2Å; R402-S428 WeakPolarHBondContact CB-OG 3.4Å; R402-S428 PolarHBondContact NH1-O 3.47Å; R402-T431 PolarHBondContact NH1-OG1 3.02Å; R402-E433 IonicContact CZ-OE1 3.15Å; R402-E433 IonicContact NH1-OE1 2.65Å; R402-E433 PolarHBondContact NH1-OE1 3.41Å; R402-E433 IonicContact NH2-OE1 3.52Å; R402-E433 PolarHBondContact NH2-OE1 3.28Å
403	D	97.9	Very high	96.1	Very high	80 Å²	80	47.9 Å²	47.9	43%	0.428	26%	0.263	S	S	.	.	H	α-helix	trans	-55.7	-42.3	176.6	167.6	79.5	0	0	0	111.9	T401 D406 R407	T401-D403 PolarHBondContact O-N 2.72Å; D403-D406 PolarHBondContact O-N 3.48Å; D403-R407 WeakPolarHBondContact O-CB 3.2Å; D403-R407 WeakPolarHBondContact O-CD 3.18Å; D403-R407 WeakPolarHBondContact O-CG 3.4Å; D403-R407 PolarHBondContact O-N 2.84Å; D403-R407 VanDerWaalsContact OD1-CD 3.27Å; D403-R407 WeakPolarHBondContact OD1-CD 3.31Å; D403-R407 IonicContact OD1-NH1 2.78Å; D403-R407 VanDerWaalsContact OD2-CD 3.28Å; D403-R407 WeakPolarHBondContact OD2-CD 3.47Å; D403-R407 IonicContact OD2-CZ 2.7Å; D403-R407 IonicContact OD2-NE 2.76Å; D403-R407 IonicContact OD2-NH1 3.49Å; D403-R407 PolarHBondContact OD2-NH1 3.4Å
404	Q	98.3	Very high	96.2	Very high	20 Å²	20	47.3 Å²	47.3	9%	0.093	26%	0.259	C	S	.	.	H	α-helix	trans	-68.2	-43.2	179.3	-71.2	157	-35	0	0	111	N381 I384 V399 T401 R402 R407 M408	N381-Q404 WeakPolarHBondContact OD1-CG 3.41Å; N381-Q404 PolarHBondContact OD1-NE2 2.81Å; I384-Q404 HydrophobicContact CD1-CB 3.95Å; I384-Q404 HydrophobicContact CG1-CB 4.1Å; I384-Q404 WeakPolarHBondContact CG1-O 3.28Å; V399-Q404 PolarHBondContact O-OE1 2.87Å; T401-Q404 WeakPolarHBondContact O-CB 3.47Å; T401-Q404 PolarHBondContact O-N 2.98Å; T401-Q404 PolarHBondContact OG1-OE1 3.46Å; R402-Q404 VanDerWaalsContact C-N 3.27Å; R402-Q404 PolarHBondContact O-N 3.38Å; Q404-R407 CarbonylContact O-C 3.58Å; Q404-R407 PolarHBondContact O-N 3.38Å; Q404-R407 VanDerWaalsContact O-N 3.11Å; Q404-M408 WeakPolarHBondContact O-CG 3.4Å; Q404-M408 PolarHBondContact O-N 3.07Å
405	L	97.9	Very high	96.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-41.3	173.7	-71	151.4	0	0	0	112.3	V400 T401 R402 R407 M408 V414 I424 L429 W448 K452 V454	V400-L405 HydrophobicContact CG1-CD1 4.22Å; V400-L405 HydrophobicContact CG1-CD2 4.18Å; V400-L405 HydrophobicContact CG1-CG 3.91Å; T401-L405 WeakPolarHBondContact O-CD1 3.37Å; T401-L405 PolarHBondContact O-N 3.33Å; R402-L405 CarbonylContact O-C 3.59Å; R402-L405 WeakPolarHBondContact O-CB 3.33Å; R402-L405 PolarHBondContact O-N 2.76Å; R402-L405 VanDerWaalsContact O-N 3.15Å; L405-R407 PolarHBondContact O-N 2.92Å; L405-M408 HydrophobicContact CB-CE 4.31Å; L405-M408 HydrophobicContact CD2-CE 3.47Å; L405-M408 VanDerWaalsContact CD2-CE 3.47Å; L405-M408 HydrophobicContact CD2-SD 3.88Å; L405-M408 HydrophobicContact CG-CE 3.74Å; L405-M408 PolarHBondContact O-N 2.96Å; L405-V414 HydrophobicContact CD2-CG2 4.43Å; L405-I424 HydrophobicContact CD1-CG2 4.44Å; L405-L429 HydrophobicContact CB-CD2 4.36Å; L405-L429 HydrophobicContact CD1-CD1 4.04Å; L405-L429 HydrophobicContact CD1-CD2 4.09Å; L405-L429 HydrophobicContact CD1-CG 4.15Å; L405-L429 HydrophobicContact CD2-CD1 4.33Å; L405-W448 HydrophobicContact CB-CH2 4.28Å; L405-W448 HydrophobicContact CB-CZ2 4.11Å; L405-K452 PolarHBondContact O-NZ 2.91Å; L405-V454 HydrophobicContact CD2-CG1 4.29Å
406	D	97.8	Very high	96.9	Very high	66 Å²	66	42.2 Å²	42.2	35%	0.353	22%	0.217	S	C	.	.	H	α-helix	trans	-60.3	-35.3	173.1	-69.3	-28.8	0	0	0	111.1	R402 D403 W448 K452	R402-D406 IonicContact CZ-OD1 3.15Å; R402-D406 IonicContact NE-OD1 3.01Å; R402-D406 PolarHBondContact NE-OD1 3.49Å; R402-D406 IonicContact NE-OD2 3.44Å; R402-D406 PolarHBondContact NE-OD2 3.13Å; R402-D406 IonicContact NH2-OD1 2.78Å; R402-D406 WeakPolarHBondContact O-CB 3.4Å; R402-D406 PolarHBondContact O-N 3.2Å; D403-D406 PolarHBondContact O-N 3.48Å; D406-W448 PolarHBondContact OD1-NE1 2.88Å; D406-K452 VanDerWaalsContact C-NZ 3.3Å; D406-K452 VanDerWaalsContact CA-NZ 3.32Å; D406-K452 PolarHBondContact O-NZ 3.45Å
407	R	97.8	Very high	97.1	Very high	66 Å²	66	38.4 Å²	38.4	25%	0.249	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-3.4	-178.2	-69.3	162.2	56.9	-175.8	-0.3	116.2	N381 I384 R385 D403 Q404 L405	N381-R407 PolarHBondContact O-NH2 2.95Å; I384-R407 HydrophobicContact CG1-CB 4.4Å; I384-R407 HydrophobicContact CG2-CB 4.3Å; R385-R407 VanDerWaalsContact CG-O 3.27Å; R385-R407 WeakPolarHBondContact CG-O 3.28Å; D403-R407 WeakPolarHBondContact O-CB 3.2Å; D403-R407 WeakPolarHBondContact O-CD 3.18Å; D403-R407 WeakPolarHBondContact O-CG 3.4Å; D403-R407 PolarHBondContact O-N 2.84Å; D403-R407 VanDerWaalsContact OD1-CD 3.27Å; D403-R407 WeakPolarHBondContact OD1-CD 3.31Å; D403-R407 IonicContact OD1-NH1 2.78Å; D403-R407 VanDerWaalsContact OD2-CD 3.28Å; D403-R407 WeakPolarHBondContact OD2-CD 3.47Å; D403-R407 IonicContact OD2-CZ 2.7Å; D403-R407 IonicContact OD2-NE 2.76Å; D403-R407 IonicContact OD2-NH1 3.49Å; D403-R407 PolarHBondContact OD2-NH1 3.4Å; Q404-R407 CarbonylContact O-C 3.58Å; Q404-R407 PolarHBondContact O-N 3.38Å; Q404-R407 VanDerWaalsContact O-N 3.11Å; L405-R407 PolarHBondContact O-N 2.92Å
408	M	97.4	Very high	96.9	Very high	8 Å²	8	32.2 Å²	32.2	4%	0.039	17%	0.174	C	C	.	.	S	Bend	trans	-66.2	159.2	176.9	-73.7	174.3	-159.9	0	0	112.4	I384 I390 V400 Q404 L405 C412 V414 K452 V454	I384-M408 HydrophobicContact CD1-CE 3.89Å; I384-M408 HydrophobicContact CD1-CG 3.66Å; I384-M408 HydrophobicContact CG1-CG 4.16Å; I390-M408 HydrophobicContact CD1-CE 3.38Å; I390-M408 HydrophobicContact CD1-CG 4.03Å; I390-M408 HydrophobicContact CD1-SD 3.74Å; V400-M408 HydrophobicContact CG1-CE 3.53Å; Q404-M408 WeakPolarHBondContact O-CG 3.4Å; Q404-M408 PolarHBondContact O-N 3.07Å; L405-M408 HydrophobicContact CB-CE 4.31Å; L405-M408 HydrophobicContact CD2-CE 3.47Å; L405-M408 VanDerWaalsContact CD2-CE 3.47Å; L405-M408 HydrophobicContact CD2-SD 3.88Å; L405-M408 HydrophobicContact CG-CE 3.74Å; L405-M408 PolarHBondContact O-N 2.96Å; M408-C412 HydrophobicContact CB-CB 4.11Å; M408-C412 HydrophobicContact SD-CB 4.35Å; M408-V414 HydrophobicContact CE-CG2 3.84Å; M408-V414 HydrophobicContact SD-CG2 3.53Å; M408-V414 VanDerWaalsContact SD-CG2 3.53Å; M408-K452 WeakPolarHBondContact O-CD 3.31Å; M408-V454 HydrophobicContact CB-CG2 4.35Å; M408-V454 HydrophobicContact SD-CG1 4.28Å; M408-V454 HydrophobicContact SD-CG2 4.15Å
409	K	96.4	Very high	96.2	Very high	62 Å²	62	32.1 Å²	32.1	27%	0.27	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-76.1	154.1	169.6	77.1	-174	-170.3	-168.1	0	111.4	L386 V387 D388 G411 C412	L386-K409 PolarHBondContact O-NZ 3.18Å; V387-K409 WeakPolarHBondContact O-CD 3.32Å; V387-K409 WeakPolarHBondContact O-CE 3.32Å; D388-K409 IonicContact OD1-NZ 3.05Å; D388-K409 PolarHBondContact OD1-NZ 3.03Å; D388-K409 IonicContact OD2-NZ 2.64Å; D388-K409 PolarHBondContact OD2-NZ 3.43Å; K409-G411 PolarHBondContact O-N 3.39Å; K409-C412 HydrophobicContact CG-CB 4.37Å; K409-C412 VanDerWaalsContact O-CB 3.29Å; K409-C412 WeakPolarHBondContact O-CB 3.15Å; K409-C412 PolarHBondContact O-N 2.86Å
410	N	98.2	Very high	95.3	Very high	105 Å²	105	32.8 Å²	32.8	56%	0.561	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	133.1	174	-177.3	39.1	0	0	0	111.3	K452 R453	N410-K452 HydrophobicContact CB-CG 4.2Å; N410-R453 PolarHBondContact OD1-N 3.09Å
411	G	97.3	Very high	94.6	Very high	35 Å²	35	35.3 Å²	35.3	36%	0.361	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	16.4	-178.1	0	0	0	0	0	114.7	K409 R453	K409-G411 PolarHBondContact O-N 3.39Å; G411-R453 PolarHBondContact N-O 2.94Å
412	C	98.4	Very high	94.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	134.8	172.7	-171.2	0	0	0	0	110.9	D388 M408 K409 I455	D388-C412 CarbonylContact O-C 3.57Å; D388-C412 WeakPolarHBondContact O-CA 3.39Å; D388-C412 PolarHBondContact O-SG 3.5Å; M408-C412 HydrophobicContact CB-CB 4.11Å; M408-C412 HydrophobicContact SD-CB 4.35Å; K409-C412 HydrophobicContact CG-CB 4.37Å; K409-C412 VanDerWaalsContact O-CB 3.29Å; K409-C412 WeakPolarHBondContact O-CB 3.15Å; K409-C412 PolarHBondContact O-N 2.86Å; C412-I455 PolarHBondContact O-N 2.86Å
413	I	98.7	Very high	94	Very high	8 Å²	8	34 Å²	34	4%	0.041	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.2	177.1	-61.4	162.5	0	0	0	109	L321 T325 V327 D388 V389 I390 I455 L457	L321-I413 HydrophobicContact CD2-CG2 4.18Å; T325-I413 HydrophobicContact CG2-CD1 3.94Å; T325-I413 HydrophobicContact CG2-CG1 4.26Å; T325-I413 HydrophobicContact CG2-CG2 4.29Å; V327-I413 HydrophobicContact CG1-CD1 4.03Å; V327-I413 HydrophobicContact CG2-CD1 4.11Å; D388-I413 PolarHBondContact O-N 3.13Å; V389-I413 CarbonylContact C-O 3.57Å; V389-I413 WeakPolarHBondContact CA-O 3.43Å; V389-I413 HydrophobicContact CG1-CB 4.18Å; V389-I413 HydrophobicContact CG1-CG2 4.18Å; V389-I413 HydrophobicContact CG2-CB 4.32Å; V389-I413 HydrophobicContact CG2-CD1 4.3Å; I390-I413 PolarHBondContact N-O 3.37Å; I413-I455 WeakPolarHBondContact CA-O 3.28Å; I413-I455 HydrophobicContact CG1-CB 4.09Å; I413-I455 HydrophobicContact CG1-CD1 3.88Å; I413-I455 HydrophobicContact CG1-CG2 4.41Å; I413-L457 HydrophobicContact CG2-CD1 3.75Å; I413-L457 HydrophobicContact CG2-CG 4.04Å
414	V	98.6	Very high	93.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	126.6	-178.7	-172.5	0	0	0	0	110	I390 V400 L405 M408 I424 V454 I455 L456 L457	I390-V414 HydrophobicContact CB-CG1 4.48Å; I390-V414 HydrophobicContact CB-CG2 4.42Å; I390-V414 HydrophobicContact CD1-CG2 4.43Å; V400-V414 HydrophobicContact CG1-CG1 4.43Å; L405-V414 HydrophobicContact CD2-CG2 4.43Å; M408-V414 HydrophobicContact CE-CG2 3.84Å; M408-V414 HydrophobicContact SD-CG2 3.53Å; M408-V414 VanDerWaalsContact SD-CG2 3.53Å; V414-I424 HydrophobicContact CG1-CD1 3.76Å; V414-I424 HydrophobicContact CG1-CG1 4.04Å; V414-I424 HydrophobicContact CG1-CG2 4.35Å; V414-V454 HydrophobicContact CB-CG1 4.32Å; V414-V454 HydrophobicContact CG2-CG1 3.58Å; V414-I455 PolarHBondContact N-O 2.85Å; V414-L456 HydrophobicContact CB-CD1 4.47Å; V414-L457 PolarHBondContact O-N 3.35Å
415	C	97.9	Very high	93.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	167.5	-179.6	67.6	0	0	0	0	113.8	I390 T392 L457 L463	I390-C415 PolarHBondContact O-N 3.49Å; T392-C415 PolarHBondContact N-O 3.24Å; T392-C415 PolarHBondContact OG1-O 3.32Å; C415-L457 HydrophobicContact CB-CB 3.93Å; C415-L457 HydrophobicContact CB-CD1 3.98Å; C415-L457 HydrophobicContact CB-CG 4.21Å; C415-L463 HydrophobicContact CB-CB 4.49Å; C415-L463 HydrophobicContact CB-CD1 4.41Å; C415-L463 HydrophobicContact CB-CD2 4.2Å
416	N	96.2	Very high	93.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134.1	-179.8	-173.8	11.9	0	0	0	110.4	T392 G418 H419 S420 I424 G460 L463	T392-N416 PolarHBondContact O-OD1 3.05Å; T392-N416 WeakPolarHBondContact OG1-CA 3.03Å; T392-N416 PolarHBondContact OG1-OD1 2.93Å; N416-G418 WeakPolarHBondContact OD1-CA 3.24Å; N416-G418 PolarHBondContact OD1-N 3.01Å; N416-H419 PolarHBondContact ND2-O 2.87Å; N416-H419 VanDerWaalsContact ND2-O 3.15Å; N416-S420 PolarHBondContact ND2-O 3.06Å; N416-S420 VanDerWaalsContact ND2-O 3.12Å; N416-I424 HydrophobicContact CB-CD1 4.17Å; N416-G460 WeakPolarHBondContact CB-O 3.49Å; N416-G460 PolarHBondContact ND2-O 3.43Å; N416-L463 WeakPolarHBondContact O-CB 3.43Å; N416-L463 PolarHBondContact O-N 3.3Å
417	M	94.2	Very high	93.6	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.025	19%	0.191	C	C	.	.	S	Bend	trans	-124	-5.5	172.4	-74.5	-70	-62.2	0	0	111.5	C313 I317 V342 I391 T392 L463 N464	C313-M417 HydrophobicContact CB-CE 3.8Å; I317-M417 HydrophobicContact CB-CE 4.27Å; I317-M417 HydrophobicContact CB-SD 4.47Å; I317-M417 HydrophobicContact CD1-CG 3.81Å; I317-M417 HydrophobicContact CD1-SD 4.05Å; V342-M417 HydrophobicContact CG1-CB 3.93Å; I391-M417 HydrophobicContact CG2-CB 4.18Å; I391-M417 HydrophobicContact CG2-CG 3.8Å; T392-M417 PolarHBondContact O-N 2.9Å; M417-L463 HydrophobicContact SD-CB 4.01Å; M417-N464 HydrophobicContact CE-CB 3.96Å; M417-N464 HydrophobicContact SD-CB 3.99Å
418	G	87	Confident	93.6	Very high	16 Å²	16	30.2 Å²	30.2	17%	0.165	19%	0.187	C	C	.	.	S	Bend	trans	-87.8	-125.8	174.6	0	0	0	0	0	111.6	T392 N416 E423 L462	T392-G418 PolarHBondContact O-N 3.33Å; N416-G418 WeakPolarHBondContact OD1-CA 3.24Å; N416-G418 PolarHBondContact OD1-N 3.01Å; G418-E423 VanDerWaalsContact CA-OE1 3.29Å; G418-E423 WeakPolarHBondContact CA-OE1 3.17Å; G418-L462 WeakPolarHBondContact O-CD2 3.4Å; G418-L462 WeakPolarHBondContact O-CG 3.4Å
419	H	78.7	Confident	93.5	Very high	80 Å²	80	29.9 Å²	29.9	37%	0.37	19%	0.185	S	C	.	.	S	Bend	trans	-108.4	147.5	-169.8	-167.3	54.9	0	0	0	114.7	T277 N416 E423	T277-H419 PolarHBondContact OG1-CE1 3.29Å; T277-H419 PolarHBondContact OG1-NE2 2.67Å; N416-H419 PolarHBondContact ND2-O 2.87Å; N416-H419 VanDerWaalsContact ND2-O 3.15Å; H419-E423 PolarHBondContact N-OE1 3.12Å
420	S	79.3	Confident	93.5	Very high	45 Å²	45	33.2 Å²	33.2	32%	0.315	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	-139.4	170.3	-168	0	0	0	0	112.7	N416	N416-S420 PolarHBondContact ND2-O 3.06Å; N416-S420 VanDerWaalsContact ND2-O 3.12Å
421	N	83.2	Confident	93.5	Very high	53 Å²	53	30.2 Å²	30.2	28%	0.283	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	25	171.1	70.5	-33.3	0	0	0	113	G460 R461	N421-G460 WeakPolarHBondContact CA-O 3.44Å; N421-R461 HydrophobicContact CB-CG 3.89Å
422	T	87.9	Confident	93.5	Very high	63 Å²	63	35.2 Å²	35.2	39%	0.387	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-5.4	-168.5	58.2	0	0	0	0	114.4	K397 N398 I424	K397-T422 CarbonylContact C-O 3.48Å; K397-T422 VanDerWaalsContact CA-O 3.28Å; K397-T422 WeakPolarHBondContact CA-O 3.36Å; N398-T422 PolarHBondContact N-O 3.43Å; T422-I424 PolarHBondContact O-N 3.1Å
423	E	94.2	Very high	93.4	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	23%	0.227	C	C	.	.	S	Bend	trans	-64.8	-31.2	171.5	-47.2	-140.2	-175.7	0	0	111.3	T392 C393 T394 G395 N396 V399 V400 G418 H419	T392-E423 WeakPolarHBondContact CB-OE2 3.36Å; T392-E423 HydrophobicContact CG2-CB 4.07Å; C393-E423 PolarHBondContact N-OE2 2.71Å; T394-E423 WeakPolarHBondContact CB-OE2 3.39Å; T394-E423 PolarHBondContact N-OE1 3.39Å; T394-E423 PolarHBondContact N-OE2 2.99Å; T394-E423 VanDerWaalsContact OG1-CD 3.28Å; T394-E423 PolarHBondContact OG1-OE2 2.83Å; G395-E423 VanDerWaalsContact CA-OE1 3.31Å; G395-E423 WeakPolarHBondContact CA-OE1 3.46Å; G395-E423 PolarHBondContact N-OE1 2.95Å; N396-E423 VanDerWaalsContact O-CA 3.3Å; N396-E423 WeakPolarHBondContact O-CA 3.46Å; N396-E423 VanDerWaalsContact O-CG 3.22Å; N396-E423 WeakPolarHBondContact O-CG 3.4Å; V399-E423 WeakPolarHBondContact CA-O 3.4Å; V399-E423 WeakPolarHBondContact CB-O 3.3Å; V399-E423 HydrophobicContact CG2-CB 4.28Å; V399-E423 PolarHBondContact N-O 3.14Å; V400-E423 PolarHBondContact N-O 3.09Å; G418-E423 VanDerWaalsContact CA-OE1 3.29Å; G418-E423 WeakPolarHBondContact CA-OE1 3.17Å; H419-E423 PolarHBondContact N-OE1 3.12Å
424	I	97.6	Very high	93.4	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-104.9	134.2	172	-56.4	154.4	0	0	0	108.1	T392 V400 L405 V414 N416 T422 V426 L456	T392-I424 HydrophobicContact CG2-CG1 4.3Å; V400-I424 HydrophobicContact CB-CB 4.48Å; V400-I424 HydrophobicContact CB-CG1 4.2Å; V400-I424 HydrophobicContact CB-CG2 4.39Å; V400-I424 HydrophobicContact CG1-CG2 4.33Å; L405-I424 HydrophobicContact CD1-CG2 4.44Å; V414-I424 HydrophobicContact CG1-CD1 3.76Å; V414-I424 HydrophobicContact CG1-CG1 4.04Å; V414-I424 HydrophobicContact CG1-CG2 4.35Å; N416-I424 HydrophobicContact CB-CD1 4.17Å; T422-I424 PolarHBondContact O-N 3.1Å; I424-V426 HydrophobicContact CB-CG2 4.01Å; I424-V426 HydrophobicContact CG2-CG2 3.77Å; I424-V426 PolarHBondContact O-N 3.34Å; I424-L456 HydrophobicContact CD1-CD1 4.36Å
425	D	96.6	Very high	93.4	Very high	38 Å²	38	43.7 Å²	43.7	20%	0.203	25%	0.254	C	S	.	.			trans	-77.7	65	176.8	-167	-12.5	0	0	0	111.6	V400 A427 S428	V400-D425 PolarHBondContact O-N 3.1Å; D425-A427 PolarHBondContact O-N 3.17Å; D425-S428 VanDerWaalsContact CG-CB 3.44Å; D425-S428 PolarHBondContact O-N 3.38Å; D425-S428 PolarHBondContact O-OG 3.12Å; D425-S428 VanDerWaalsContact OD1-CB 3.27Å; D425-S428 WeakPolarHBondContact OD1-CB 3.41Å; D425-S428 PolarHBondContact OD1-N 3.01Å; D425-S428 PolarHBondContact OD1-OG 3.38Å
426	V	95.6	Very high	93.4	Very high	10 Å²	10	46.5 Å²	46.5	6%	0.061	27%	0.265	C	S	.	.			trans	-65.9	-26.9	-179.6	-177.2	0	0	0	0	111.7	I424 L429 W436 L456	I424-V426 HydrophobicContact CB-CG2 4.01Å; I424-V426 HydrophobicContact CG2-CG2 3.77Å; I424-V426 PolarHBondContact O-N 3.34Å; V426-L429 PolarHBondContact O-N 3.14Å; V426-W436 HydrophobicContact CG1-CH2 3.97Å; V426-L456 HydrophobicContact CG1-CD2 3.93Å; V426-L456 HydrophobicContact CG2-CD1 4.44Å; V426-L456 HydrophobicContact CG2-CD2 4.1Å
427	A	95.3	Very high	93.5	Very high	81 Å²	81	50.7 Å²	50.7	67%	0.669	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-61.8	-42.6	174.3	0	0	0	0	0	111.6	D425 L429 R430	D425-A427 PolarHBondContact O-N 3.17Å; A427-L429 PolarHBondContact O-N 2.97Å; A427-L429 VanDerWaalsContact O-N 3.09Å; A427-R430 PolarHBondContact O-N 2.94Å; A427-R430 VanDerWaalsContact O-N 3.12Å
428	S	96.6	Very high	93.6	Very high	24 Å²	24	57.1 Å²	57.1	17%	0.168	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-63.2	-12.4	176.3	75.6	0	0	0	0	115.2	R402 D425	R402-S428 WeakPolarHBondContact CB-OG 3.4Å; R402-S428 PolarHBondContact NH1-O 3.47Å; D425-S428 VanDerWaalsContact CG-CB 3.44Å; D425-S428 PolarHBondContact O-N 3.38Å; D425-S428 PolarHBondContact O-OG 3.12Å; D425-S428 VanDerWaalsContact OD1-CB 3.27Å; D425-S428 WeakPolarHBondContact OD1-CB 3.41Å; D425-S428 PolarHBondContact OD1-N 3.01Å; D425-S428 PolarHBondContact OD1-OG 3.38Å
429	L	96.6	Very high	93.9	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-92.7	-3.4	177.6	-63.1	177.5	0	0	0	113.3	L405 V426 A427 T431 L434 W436 V446 W448	L405-L429 HydrophobicContact CB-CD2 4.36Å; L405-L429 HydrophobicContact CD1-CD1 4.04Å; L405-L429 HydrophobicContact CD1-CD2 4.09Å; L405-L429 HydrophobicContact CD1-CG 4.15Å; L405-L429 HydrophobicContact CD2-CD1 4.33Å; V426-L429 PolarHBondContact O-N 3.14Å; A427-L429 PolarHBondContact O-N 2.97Å; A427-L429 VanDerWaalsContact O-N 3.09Å; L429-T431 VanDerWaalsContact C-N 3.27Å; L429-T431 PolarHBondContact O-N 3.07Å; L429-L434 HydrophobicContact CB-CD1 4.21Å; L429-L434 HydrophobicContact CD2-CD1 3.67Å; L429-W436 HydrophobicContact CB-CZ2 3.72Å; L429-W436 PolarHBondContact O-NE1 3.48Å; L429-V446 HydrophobicContact CB-CG1 4.48Å; L429-V446 HydrophobicContact CD1-CG1 4.5Å; L429-V446 HydrophobicContact CD1-CG2 4.36Å; L429-V446 HydrophobicContact CD2-CG1 4.37Å; L429-W448 HydrophobicContact CD2-CH2 3.95Å; L429-W448 HydrophobicContact CD2-CZ2 3.98Å
430	R	96.1	Very high	94.6	Very high	132 Å²	132	60.7 Å²	60.7	50%	0.498	32%	0.321	S	S	.	.			trans	-89.5	58.5	177.4	-58.5	-59.3	-171.1	175.2	5.3	111.2	A427 W436 E459	A427-R430 PolarHBondContact O-N 2.94Å; A427-R430 VanDerWaalsContact O-N 3.12Å; R430-W436 VanDerWaalsContact CZ-CH2 3.48Å; R430-W436 VanDerWaalsContact NH1-CD2 3.33Å; R430-W436 VanDerWaalsContact NH1-CE3 3.26Å; R430-W436 VanDerWaalsContact NH1-CZ3 3.34Å; R430-E459 IonicContact CZ-OE2 3.26Å; R430-E459 IonicContact NH2-OE2 3.38Å; R430-E459 PolarHBondContact NH2-OE2 3.14Å
431	T	97.1	Very high	95.1	Very high	42 Å²	42	62.6 Å²	62.6	26%	0.258	33%	0.334	S	S	.	.	S	Bend	trans	-121.3	149	-175.1	56	0	0	0	0	111.7	R402 L429 E433 L434	R402-T431 PolarHBondContact NH1-OG1 3.02Å; L429-T431 VanDerWaalsContact C-N 3.27Å; L429-T431 PolarHBondContact O-N 3.07Å; T431-E433 WeakPolarHBondContact CB-OE1 3.46Å; T431-E433 WeakPolarHBondContact CB-OE2 3.2Å; T431-E433 PolarHBondContact O-N 3.46Å; T431-E433 VanDerWaalsContact O-N 3.13Å; T431-E433 PolarHBondContact OG1-OE1 2.74Å; T431-E433 PolarHBondContact OG1-OE2 3.26Å; T431-L434 PolarHBondContact O-N 2.91Å; T431-L434 VanDerWaalsContact O-N 3.08Å
432	P	97.2	Very high	95.4	Very high	141 Å²	141	62.3 Å²	62.3	92%	0.916	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-19	-169.1	-23.3	35.1	0	0	0	115.6
433	E	97.2	Very high	95.9	Very high	84 Å²	84	59.5 Å²	59.5	39%	0.393	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.8	177.1	81.4	-63.8	160.2	0	0	114.2	R402 T431 P449	R402-E433 IonicContact CZ-OE1 3.15Å; R402-E433 IonicContact NH1-OE1 2.65Å; R402-E433 PolarHBondContact NH1-OE1 3.41Å; R402-E433 IonicContact NH2-OE1 3.52Å; R402-E433 PolarHBondContact NH2-OE1 3.28Å; T431-E433 WeakPolarHBondContact CB-OE1 3.46Å; T431-E433 WeakPolarHBondContact CB-OE2 3.2Å; T431-E433 PolarHBondContact O-N 3.46Å; T431-E433 VanDerWaalsContact O-N 3.13Å; T431-E433 PolarHBondContact OG1-OE1 2.74Å; T431-E433 PolarHBondContact OG1-OE2 3.26Å; E433-P449 HydrophobicContact CB-CG 4.11Å; E433-P449 HydrophobicContact CG-CG 4.32Å; E433-P449 WeakPolarHBondContact O-CD 3.43Å; E433-P449 WeakPolarHBondContact O-CG 3.3Å
434	L	98.1	Very high	96	Very high	10 Å²	10	59.9 Å²	59.9	5%	0.052	32%	0.316	C	S	.	.	S	Bend	trans	-108	116.5	176.5	-64.7	-175.3	0	0	0	111.4	L429 T431 V446 I447 W448	L429-L434 HydrophobicContact CB-CD1 4.21Å; L429-L434 HydrophobicContact CD2-CD1 3.67Å; T431-L434 PolarHBondContact O-N 2.91Å; T431-L434 VanDerWaalsContact O-N 3.08Å; L434-V446 HydrophobicContact CB-CG1 4.21Å; L434-V446 HydrophobicContact CD1-CG1 3.94Å; L434-I447 WeakPolarHBondContact CA-O 3.32Å; L434-W448 HydrophobicContact CD1-CZ2 4.49Å; L434-W448 HydrophobicContact CD2-CB 4.25Å; L434-W448 HydrophobicContact CD2-CD2 3.62Å; L434-W448 HydrophobicContact CD2-CE3 4.2Å; L434-W448 HydrophobicContact CD2-CG 3.64Å; L434-W448 HydrophobicContact CD2-CZ2 4.48Å
435	T	98.3	Very high	96.1	Very high	91 Å²	91	61.6 Å²	61.6	56%	0.558	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	129.7	173.4	-60.5	0	0	0	0	109.7	I447	T435-I447 PolarHBondContact N-O 2.91Å; T435-I447 PolarHBondContact O-N 2.71Å
436	W	98.2	Very high	96.2	Very high	60 Å²	60	59.8 Å²	59.8	23%	0.227	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.9	172.5	-76.7	69.2	0	0	0	110.3	V426 L429 R430 D444 H445 V446 L456	V426-W436 HydrophobicContact CG1-CH2 3.97Å; L429-W436 HydrophobicContact CB-CZ2 3.72Å; L429-W436 PolarHBondContact O-NE1 3.48Å; R430-W436 VanDerWaalsContact CZ-CH2 3.48Å; R430-W436 VanDerWaalsContact NH1-CD2 3.33Å; R430-W436 VanDerWaalsContact NH1-CE3 3.26Å; R430-W436 VanDerWaalsContact NH1-CZ3 3.34Å; W436-D444 HydrophobicContact CE3-CB 3.89Å; W436-D444 HydrophobicContact CZ3-CB 3.98Å; W436-H445 WeakPolarHBondContact CA-O 3.25Å; W436-V446 HydrophobicContact CD2-CG2 3.91Å; W436-V446 HydrophobicContact CE3-CG2 4Å; W436-V446 HydrophobicContact CH2-CG2 3.97Å; W436-V446 HydrophobicContact CZ2-CG2 3.86Å; W436-V446 HydrophobicContact CZ3-CG2 4.03Å; W436-L456 HydrophobicContact CH2-CD2 3.64Å; W436-L456 HydrophobicContact CZ3-CD2 4Å
437	E	97.8	Very high	96.3	Very high	87 Å²	87	60.5 Å²	60.5	41%	0.407	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	107.1	177.3	172.5	-167.4	-156	0	0	108.7	V439 H445 I447 R453	E437-V439 PolarHBondContact O-N 3.49Å; E437-H445 HydrophobicContact CB-CB 4.15Å; E437-H445 PolarHBondContact N-O 3Å; E437-H445 PolarHBondContact O-N 3.28Å; E437-H445 IonicContact OE2-CG 3.6Å; E437-H445 IonicContact OE2-ND1 3.69Å; E437-H445 PolarHBondContact OE2-ND1 2.93Å; E437-I447 HydrophobicContact CB-CD1 4.28Å; E437-R453 IonicContact OE2-NH1 3.71Å
438	R	96.6	Very high	96.5	Very high	141 Å²	141	57.6 Å²	57.6	53%	0.532	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	104.7	176.2	-175.2	179.7	179.5	98.5	-11.5	109.6	D444	R438-D444 WeakPolarHBondContact CA-OD1 3.44Å; R438-D444 WeakPolarHBondContact CB-OD1 3.36Å; R438-D444 WeakPolarHBondContact CG-OD1 3.37Å
439	V	94.8	Very high	96.5	Very high	66 Å²	66	61.5 Å²	61.5	40%	0.4	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-38.3	-171	-173.4	0	0	0	0	111.9	E437 V443 H445	E437-V439 PolarHBondContact O-N 3.49Å; V439-V443 HydrophobicContact CB-CG1 4.49Å; V439-V443 PolarHBondContact N-O 2.97Å; V439-H445 HydrophobicContact CG2-CB 4.18Å; V439-H445 VanDerWaalsContact CG2-CE1 3.47Å; V439-H445 WeakPolarHBondContact CG2-CE1 3.37Å; V439-H445 VanDerWaalsContact CG2-CG 3.5Å; V439-H445 VanDerWaalsContact CG2-ND1 3.34Å; V439-H445 WeakPolarHBondContact CG2-ND1 3.47Å
440	R	92.7	Very high	96.6	Very high	105 Å²	105	67.4 Å²	67.4	40%	0.396	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	-177.6	175.3	58.9	175.6	78.6	167.3	5.5	108.9	R323 T324 D326 Q442 V443	R323-R440 PolarHBondContact O-NH1 3.09Å; T324-R440 WeakPolarHBondContact O-CD 3.21Å; T324-R440 PolarHBondContact O-NH1 2.85Å; D326-R440 IonicContact OD1-NH1 3.8Å; D326-R440 IonicContact OD2-CZ 3.85Å; D326-R440 VanDerWaalsContact OD2-CZ 3.23Å; D326-R440 IonicContact OD2-NH1 3.57Å; D326-R440 PolarHBondContact OD2-NH1 3.07Å; D326-R440 IonicContact OD2-NH2 2.71Å; D326-R440 PolarHBondContact OD2-NH2 3.5Å; R440-Q442 PolarHBondContact O-N 2.83Å; R440-V443 HydrophobicContact CG-CB 3.63Å; R440-V443 HydrophobicContact CG-CG1 4.43Å; R440-V443 HydrophobicContact CG-CG2 3.57Å; R440-V443 PolarHBondContact N-O 3.47Å; R440-V443 PolarHBondContact O-N 2.79Å
441	S	89.1	Confident	96.6	Very high	85 Å²	85	63 Å²	63	59%	0.594	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	130.5	174.9	-163.5	0	0	0	0	110.8	V443	S441-V443 VanDerWaalsContact C-N 3.25Å; S441-V443 PolarHBondContact O-N 3.07Å
442	Q	90.6	Very high	96.6	Very high	46 Å²	46	61.9 Å²	61.9	22%	0.215	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	23.7	-179	-48.5	-62.1	-5.4	0	0	115.9	R440 A458 C467	R440-Q442 PolarHBondContact O-N 2.83Å; Q442-A458 HydrophobicContact CB-CB 4.38Å; Q442-A458 PolarHBondContact O-N 3.01Å; Q442-C467 WeakPolarHBondContact CB-SG 3.38Å
443	V	97.1	Very high	96.7	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.03	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	115.3	177.6	-173.4	0	0	0	0	110.7	T324 V439 R440 S441 I455 L457	T324-V443 HydrophobicContact CG2-CG2 3.72Å; V439-V443 HydrophobicContact CB-CG1 4.49Å; V439-V443 PolarHBondContact N-O 2.97Å; R440-V443 HydrophobicContact CG-CB 3.63Å; R440-V443 HydrophobicContact CG-CG1 4.43Å; R440-V443 HydrophobicContact CG-CG2 3.57Å; R440-V443 PolarHBondContact N-O 3.47Å; R440-V443 PolarHBondContact O-N 2.79Å; S441-V443 VanDerWaalsContact C-N 3.25Å; S441-V443 PolarHBondContact O-N 3.07Å; V443-I455 HydrophobicContact CG1-CG2 3.82Å; V443-L457 HydrophobicContact CB-CD2 4.44Å; V443-L457 HydrophobicContact CG1-CD2 4.04Å; V443-L457 HydrophobicContact CG2-CD2 4.02Å
444	D	97.9	Very high	96.7	Very high	9 Å²	9	56.3 Å²	56.3	5%	0.048	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.1	-177.4	-59.5	-80.2	0	0	0	110.4	W436 R438 L456	W436-D444 HydrophobicContact CE3-CB 3.89Å; W436-D444 HydrophobicContact CZ3-CB 3.98Å; R438-D444 WeakPolarHBondContact CA-OD1 3.44Å; R438-D444 WeakPolarHBondContact CB-OD1 3.36Å; R438-D444 WeakPolarHBondContact CG-OD1 3.37Å; D444-L456 PolarHBondContact N-O 2.88Å; D444-L456 PolarHBondContact O-N 2.85Å
445	H	98.4	Very high	96.8	Very high	36 Å²	36	57.2 Å²	57.2	17%	0.167	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	120.1	162.3	-73.3	160.6	0	0	0	108.9	W436 E437 V439 I447 V454	W436-H445 WeakPolarHBondContact CA-O 3.25Å; E437-H445 HydrophobicContact CB-CB 4.15Å; E437-H445 PolarHBondContact N-O 3Å; E437-H445 PolarHBondContact O-N 3.28Å; E437-H445 IonicContact OE2-CG 3.6Å; E437-H445 IonicContact OE2-ND1 3.69Å; E437-H445 PolarHBondContact OE2-ND1 2.93Å; V439-H445 HydrophobicContact CG2-CB 4.18Å; V439-H445 VanDerWaalsContact CG2-CE1 3.47Å; V439-H445 WeakPolarHBondContact CG2-CE1 3.37Å; V439-H445 VanDerWaalsContact CG2-CG 3.5Å; V439-H445 VanDerWaalsContact CG2-ND1 3.34Å; V439-H445 WeakPolarHBondContact CG2-ND1 3.47Å; H445-I447 HydrophobicContact CB-CD1 4.26Å; H445-I447 HydrophobicContact CB-CG1 4.05Å; H445-V454 WeakPolarHBondContact CA-O 3.28Å
446	V	98.4	Very high	96.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	123	164.3	-173.1	0	0	0	0	107.3	L429 L434 W436 W448 R453 V454 L456	L429-V446 HydrophobicContact CB-CG1 4.48Å; L429-V446 HydrophobicContact CD1-CG1 4.5Å; L429-V446 HydrophobicContact CD1-CG2 4.36Å; L429-V446 HydrophobicContact CD2-CG1 4.37Å; L434-V446 HydrophobicContact CB-CG1 4.21Å; L434-V446 HydrophobicContact CD1-CG1 3.94Å; W436-V446 HydrophobicContact CD2-CG2 3.91Å; W436-V446 HydrophobicContact CE3-CG2 4Å; W436-V446 HydrophobicContact CH2-CG2 3.97Å; W436-V446 HydrophobicContact CZ2-CG2 3.86Å; W436-V446 HydrophobicContact CZ3-CG2 4.03Å; V446-W448 HydrophobicContact CB-CH2 4.47Å; V446-W448 HydrophobicContact CB-CZ3 3.93Å; V446-W448 HydrophobicContact CG1-CE3 4.36Å; V446-W448 HydrophobicContact CG1-CH2 4.07Å; V446-W448 HydrophobicContact CG1-CZ3 3.75Å; V446-W448 VanDerWaalsContact O-CZ3 3.3Å; V446-W448 WeakPolarHBondContact O-CZ3 3.3Å; V446-R453 CarbonylContact O-C 3.49Å; V446-R453 WeakPolarHBondContact O-CA 3.49Å; V446-V454 PolarHBondContact N-O 3.3Å; V446-V454 PolarHBondContact O-N 3.41Å; V446-L456 HydrophobicContact CG2-CB 4.4Å
447	I	98.6	Very high	96.7	Very high	26 Å²	26	50 Å²	50	13%	0.133	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.3	-168.3	-50.4	175.9	0	0	0	109.8	L434 T435 E437 H445 K452 R453	L434-I447 WeakPolarHBondContact CA-O 3.32Å; T435-I447 PolarHBondContact N-O 2.91Å; T435-I447 PolarHBondContact O-N 2.71Å; E437-I447 HydrophobicContact CB-CD1 4.28Å; H445-I447 HydrophobicContact CB-CD1 4.26Å; H445-I447 HydrophobicContact CB-CG1 4.05Å; I447-K452 WeakPolarHBondContact CA-O 3.24Å; I447-R453 HydrophobicContact CG1-CG 4.05Å; I447-R453 HydrophobicContact CG2-CG 4.26Å
448	W	98.5	Very high	96.4	Very high	20 Å²	20	45.9 Å²	45.9	8%	0.076	24%	0.238	C	C	.	.			trans	-85.3	160.7	178.9	-81.8	-113	0	0	0	111.9	L405 D406 L429 L434 V446 D450 G451 K452 V454	L405-W448 HydrophobicContact CB-CH2 4.28Å; L405-W448 HydrophobicContact CB-CZ2 4.11Å; D406-W448 PolarHBondContact OD1-NE1 2.88Å; L429-W448 HydrophobicContact CD2-CH2 3.95Å; L429-W448 HydrophobicContact CD2-CZ2 3.98Å; L434-W448 HydrophobicContact CD1-CZ2 4.49Å; L434-W448 HydrophobicContact CD2-CB 4.25Å; L434-W448 HydrophobicContact CD2-CD2 3.62Å; L434-W448 HydrophobicContact CD2-CE3 4.2Å; L434-W448 HydrophobicContact CD2-CG 3.64Å; L434-W448 HydrophobicContact CD2-CZ2 4.48Å; V446-W448 HydrophobicContact CB-CH2 4.47Å; V446-W448 HydrophobicContact CB-CZ3 3.93Å; V446-W448 HydrophobicContact CG1-CE3 4.36Å; V446-W448 HydrophobicContact CG1-CH2 4.07Å; V446-W448 HydrophobicContact CG1-CZ3 3.75Å; V446-W448 VanDerWaalsContact O-CZ3 3.3Å; V446-W448 WeakPolarHBondContact O-CZ3 3.3Å; W448-D450 WeakPolarHBondContact CB-OD1 3.43Å; W448-D450 PolarHBondContact O-N 3.27Å; W448-D450 VanDerWaalsContact O-N 3.1Å; W448-G451 PolarHBondContact O-N 2.7Å; W448-K452 HydrophobicContact CB-CB 4.34Å; W448-K452 VanDerWaalsContact CG-CE 3.45Å; W448-K452 PolarHBondContact N-O 3Å; W448-V454 HydrophobicContact CE3-CG2 4.44Å; W448-V454 HydrophobicContact CH2-CB 4.09Å; W448-V454 HydrophobicContact CH2-CG2 3.65Å; W448-V454 HydrophobicContact CZ3-CB 3.76Å; W448-V454 HydrophobicContact CZ3-CG2 3.49Å; W448-V454 VanDerWaalsContact CZ3-CG2 3.49Å
449	P	98.1	Very high	96.3	Very high	105 Å²	105	42 Å²	42	68%	0.682	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.8	178.4	-26.6	35.8	0	0	0	115.7	E433 G451	E433-P449 HydrophobicContact CB-CG 4.11Å; E433-P449 HydrophobicContact CG-CG 4.32Å; E433-P449 WeakPolarHBondContact O-CD 3.43Å; E433-P449 WeakPolarHBondContact O-CG 3.3Å; P449-G451 VanDerWaalsContact C-N 3.31Å
450	D	96.8	Very high	96.2	Very high	124 Å²	124	38.9 Å²	38.9	66%	0.663	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-1.7	174.7	67.8	-9.5	0	0	0	113.4	W448 K452	W448-D450 WeakPolarHBondContact CB-OD1 3.43Å; W448-D450 PolarHBondContact O-N 3.27Å; W448-D450 VanDerWaalsContact O-N 3.1Å; D450-K452 WeakPolarHBondContact OD1-CB 3.41Å; D450-K452 PolarHBondContact OD1-N 2.66Å
451	G	97.3	Very high	96	Very high	40 Å²	40	38.7 Å²	38.7	41%	0.412	21%	0.206	S	C	.	.	S	Bend	trans	85.6	-1.9	-176.7	0	0	0	0	0	115	W448 P449 R453	W448-G451 PolarHBondContact O-N 2.7Å; P449-G451 VanDerWaalsContact C-N 3.31Å; G451-R453 WeakPolarHBondContact O-CG 3.43Å
452	K	98	Very high	96	Very high	19 Å²	19	36.5 Å²	36.5	8%	0.083	19%	0.187	C	C	.	.			trans	-63.3	135.4	172.6	-179.4	-156.8	60.9	169.2	0	109.7	L405 D406 M408 N410 I447 W448 D450	L405-K452 PolarHBondContact O-NZ 2.91Å; D406-K452 VanDerWaalsContact C-NZ 3.3Å; D406-K452 VanDerWaalsContact CA-NZ 3.32Å; D406-K452 PolarHBondContact O-NZ 3.45Å; M408-K452 WeakPolarHBondContact O-CD 3.31Å; N410-K452 HydrophobicContact CB-CG 4.2Å; I447-K452 WeakPolarHBondContact CA-O 3.24Å; W448-K452 HydrophobicContact CB-CB 4.34Å; W448-K452 VanDerWaalsContact CG-CE 3.45Å; W448-K452 PolarHBondContact N-O 3Å; D450-K452 WeakPolarHBondContact OD1-CB 3.41Å; D450-K452 PolarHBondContact OD1-N 2.66Å
453	R	97.8	Very high	96	Very high	107 Å²	107	34.4 Å²	34.4	40%	0.404	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.7	178.5	-45.8	-169.7	-177.4	-168.1	-3.5	111.3	N410 G411 E437 V446 I447 G451	N410-R453 PolarHBondContact OD1-N 3.09Å; G411-R453 PolarHBondContact N-O 2.94Å; E437-R453 IonicContact OE2-NH1 3.71Å; V446-R453 CarbonylContact O-C 3.49Å; V446-R453 WeakPolarHBondContact O-CA 3.49Å; I447-R453 HydrophobicContact CG1-CG 4.05Å; I447-R453 HydrophobicContact CG2-CG 4.26Å; G451-R453 WeakPolarHBondContact O-CG 3.43Å
454	V	98.4	Very high	95.5	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.5	164	174.6	0	0	0	0	107.9	L405 M408 V414 H445 V446 W448	L405-V454 HydrophobicContact CD2-CG1 4.29Å; M408-V454 HydrophobicContact CB-CG2 4.35Å; M408-V454 HydrophobicContact SD-CG1 4.28Å; M408-V454 HydrophobicContact SD-CG2 4.15Å; V414-V454 HydrophobicContact CB-CG1 4.32Å; V414-V454 HydrophobicContact CG2-CG1 3.58Å; H445-V454 WeakPolarHBondContact CA-O 3.28Å; V446-V454 PolarHBondContact N-O 3.3Å; V446-V454 PolarHBondContact O-N 3.41Å; W448-V454 HydrophobicContact CE3-CG2 4.44Å; W448-V454 HydrophobicContact CH2-CB 4.09Å; W448-V454 HydrophobicContact CH2-CG2 3.65Å; W448-V454 HydrophobicContact CZ3-CB 3.76Å; W448-V454 HydrophobicContact CZ3-CG2 3.49Å; W448-V454 VanDerWaalsContact CZ3-CG2 3.49Å
455	I	98.6	Very high	94.7	Very high	28 Å²	28	38 Å²	38	14%	0.144	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	98.1	177.5	-54.1	169	0	0	0	106.9	T325 C412 I413 V414 V443 L457	T325-I455 HydrophobicContact CG2-CG2 4.29Å; C412-I455 PolarHBondContact O-N 2.86Å; I413-I455 WeakPolarHBondContact CA-O 3.28Å; I413-I455 HydrophobicContact CG1-CB 4.09Å; I413-I455 HydrophobicContact CG1-CD1 3.88Å; I413-I455 HydrophobicContact CG1-CG2 4.41Å; V414-I455 PolarHBondContact N-O 2.85Å; V443-I455 HydrophobicContact CG1-CG2 3.82Å; I455-L457 HydrophobicContact CG2-CD2 3.94Å
456	L	98.3	Very high	94	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.2	177.1	-177.7	64.2	0	0	0	109.5	V414 I424 V426 W436 D444 V446	V414-L456 HydrophobicContact CB-CD1 4.47Å; I424-L456 HydrophobicContact CD1-CD1 4.36Å; V426-L456 HydrophobicContact CG1-CD2 3.93Å; V426-L456 HydrophobicContact CG2-CD1 4.44Å; V426-L456 HydrophobicContact CG2-CD2 4.1Å; W436-L456 HydrophobicContact CH2-CD2 3.64Å; W436-L456 HydrophobicContact CZ3-CD2 4Å; D444-L456 PolarHBondContact N-O 2.88Å; D444-L456 PolarHBondContact O-N 2.85Å; V446-L456 HydrophobicContact CG2-CB 4.4Å
457	L	96.9	Very high	93.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	138.8	178	-52.3	-172.3	0	0	0	111.2	L321 T324 T325 I413 V414 C415 V443 I455 E459 G460 L463	L321-L457 HydrophobicContact CD2-CD1 3.69Å; T324-L457 HydrophobicContact CG2-CD1 4.5Å; T324-L457 HydrophobicContact CG2-CD2 4.31Å; T324-L457 WeakPolarHBondContact OG1-CD1 3.42Å; T325-L457 HydrophobicContact CG2-CD1 4.24Å; T325-L457 HydrophobicContact CG2-CD2 3.88Å; I413-L457 HydrophobicContact CG2-CD1 3.75Å; I413-L457 HydrophobicContact CG2-CG 4.04Å; V414-L457 PolarHBondContact O-N 3.35Å; C415-L457 HydrophobicContact CB-CB 3.93Å; C415-L457 HydrophobicContact CB-CD1 3.98Å; C415-L457 HydrophobicContact CB-CG 4.21Å; V443-L457 HydrophobicContact CB-CD2 4.44Å; V443-L457 HydrophobicContact CG1-CD2 4.04Å; V443-L457 HydrophobicContact CG2-CD2 4.02Å; I455-L457 HydrophobicContact CG2-CD2 3.94Å; L457-E459 PolarHBondContact O-N 3.44Å; L457-G460 PolarHBondContact O-N 2.69Å; L457-L463 HydrophobicContact CB-CD1 3.75Å; L457-L463 HydrophobicContact CD1-CD1 3.7Å; L457-L463 HydrophobicContact CD1-CD2 4.47Å; L457-L463 HydrophobicContact CG-CD1 4.38Å
458	A	92.6	Very high	92.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	50	29.5	177	0	0	0	0	0	115.2	Q442 G460 R461	Q442-A458 HydrophobicContact CB-CB 4.38Å; Q442-A458 PolarHBondContact O-N 3.01Å; A458-G460 PolarHBondContact O-N 2.98Å; A458-G460 VanDerWaalsContact O-N 3.1Å; A458-R461 HydrophobicContact CB-CB 4.27Å; A458-R461 WeakPolarHBondContact O-CB 3.17Å; A458-R461 WeakPolarHBondContact O-CG 3.38Å; A458-R461 PolarHBondContact O-N 2.99Å
459	E	93.6	Very high	92.1	Very high	59 Å²	59	41.5 Å²	41.5	28%	0.276	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	50.1	34.3	-173.5	-57.8	-176.5	-99.2	0	0	113.2	R430 L457 R461	R430-E459 IonicContact CZ-OE2 3.26Å; R430-E459 IonicContact NH2-OE2 3.38Å; R430-E459 PolarHBondContact NH2-OE2 3.14Å; L457-E459 PolarHBondContact O-N 3.44Å; E459-R461 VanDerWaalsContact C-N 3.33Å; E459-R461 PolarHBondContact O-N 3.03Å
460	G	92.4	Very high	91.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	80	2.4	-177.9	0	0	0	0	0	115.7	N416 N421 L457 A458	N416-G460 WeakPolarHBondContact CB-O 3.49Å; N416-G460 PolarHBondContact ND2-O 3.43Å; N421-G460 WeakPolarHBondContact CA-O 3.44Å; L457-G460 PolarHBondContact O-N 2.69Å; A458-G460 PolarHBondContact O-N 2.98Å; A458-G460 VanDerWaalsContact O-N 3.1Å
461	R	88.9	Confident	91.1	Very high	102 Å²	102	33.3 Å²	33.3	39%	0.385	18%	0.179	S	C	.	.	S	Bend	trans	-73.3	170.9	172.6	-59.4	177.7	-176.3	-74.6	3.9	111.4	N421 A458 E459 L463	N421-R461 HydrophobicContact CB-CG 3.89Å; A458-R461 HydrophobicContact CB-CB 4.27Å; A458-R461 WeakPolarHBondContact O-CB 3.17Å; A458-R461 WeakPolarHBondContact O-CG 3.38Å; A458-R461 PolarHBondContact O-N 2.99Å; E459-R461 VanDerWaalsContact C-N 3.33Å; E459-R461 PolarHBondContact O-N 3.03Å; R461-L463 PolarHBondContact O-N 3.25Å; R461-L463 VanDerWaalsContact O-N 3.15Å
462	L	88.4	Confident	90.9	Very high	39 Å²	39	32.5 Å²	32.5	20%	0.204	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-55.6	114.5	177.6	-76.1	90.3	0	0	0	111.9	G418 N464 L465 S466	G418-L462 WeakPolarHBondContact O-CD2 3.4Å; G418-L462 WeakPolarHBondContact O-CG 3.4Å; L462-N464 WeakPolarHBondContact CB-OD1 3.34Å; L462-L465 HydrophobicContact CB-CB 4.22Å; L462-L465 HydrophobicContact CB-CD1 4.17Å; L462-L465 HydrophobicContact CB-CG 4.14Å; L462-L465 HydrophobicContact CD2-CD1 3.88Å; L462-L465 HydrophobicContact CD2-CG 4.29Å; L462-L465 PolarHBondContact O-N 3.33Å; L462-S466 VanDerWaalsContact O-CB 3.28Å; L462-S466 WeakPolarHBondContact O-CB 3.18Å; L462-S466 PolarHBondContact O-N 3.41Å; L462-S466 PolarHBondContact O-OG 2.97Å
463	L	91.6	Very high	90.6	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-65.1	-39.9	-177.7	-176.4	75.1	0	0	0	112.1	I317 L321 T324 C415 N416 M417 L457 R461 L465 S466 C467	I317-L463 HydrophobicContact CD1-CD2 3.89Å; L321-L463 HydrophobicContact CD2-CD2 3.92Å; L321-L463 HydrophobicContact CG-CD2 3.9Å; T324-L463 HydrophobicContact CG2-CD1 4.4Å; C415-L463 HydrophobicContact CB-CB 4.49Å; C415-L463 HydrophobicContact CB-CD1 4.41Å; C415-L463 HydrophobicContact CB-CD2 4.2Å; N416-L463 WeakPolarHBondContact O-CB 3.43Å; N416-L463 PolarHBondContact O-N 3.3Å; M417-L463 HydrophobicContact SD-CB 4.01Å; L457-L463 HydrophobicContact CB-CD1 3.75Å; L457-L463 HydrophobicContact CD1-CD1 3.7Å; L457-L463 HydrophobicContact CD1-CD2 4.47Å; L457-L463 HydrophobicContact CG-CD1 4.38Å; R461-L463 PolarHBondContact O-N 3.25Å; R461-L463 VanDerWaalsContact O-N 3.15Å; L463-L465 VanDerWaalsContact C-N 3.31Å; L463-L465 PolarHBondContact O-N 2.89Å; L463-S466 PolarHBondContact O-N 3.19Å; L463-C467 HydrophobicContact CD1-CB 3.73Å; L463-C467 HydrophobicContact CG-CB 4.27Å; L463-C467 WeakPolarHBondContact O-CA 3.29Å; L463-C467 WeakPolarHBondContact O-CB 3.23Å; L463-C467 PolarHBondContact O-N 2.92Å
464	N	86.3	Confident	90.4	Very high	11 Å²	11	28.6 Å²	28.6	6%	0.059	15%	0.153	C	C	.	.	H	α-helix	trans	-64.1	-33	179	62.2	-33.6	0	0	0	113.1	S316 M417 L462 S468	S316-N464 WeakPolarHBondContact OG-CB 3.28Å; M417-N464 HydrophobicContact CE-CB 3.96Å; M417-N464 HydrophobicContact SD-CB 3.99Å; L462-N464 WeakPolarHBondContact CB-OD1 3.34Å; N464-S468 CarbonylContact O-C 3.59Å; N464-S468 WeakPolarHBondContact O-CB 3.43Å
465	L	80.8	Confident	90.1	Very high	80 Å²	80	30.4 Å²	30.4	42%	0.419	16%	0.162	S	C	.	.	H	α-helix	trans	-86.2	-29.9	176.9	-58.5	-176.9	0	0	0	112.8	L462 L463 V470	L462-L465 HydrophobicContact CB-CB 4.22Å; L462-L465 HydrophobicContact CB-CD1 4.17Å; L462-L465 HydrophobicContact CB-CG 4.14Å; L462-L465 HydrophobicContact CD2-CD1 3.88Å; L462-L465 HydrophobicContact CD2-CG 4.29Å; L462-L465 PolarHBondContact O-N 3.33Å; L463-L465 VanDerWaalsContact C-N 3.31Å; L463-L465 PolarHBondContact O-N 2.89Å; L465-V470 HydrophobicContact CD2-CG2 4.18Å
466	S	83.4	Confident	90	Very high	41 Å²	41	29 Å²	29	29%	0.287	16%	0.155	S	C	.	.	H	α-helix	trans	-91.7	-29.1	-173.9	-50.2	0	0	0	0	113.6	L462 L463	L462-S466 VanDerWaalsContact O-CB 3.28Å; L462-S466 WeakPolarHBondContact O-CB 3.18Å; L462-S466 PolarHBondContact O-N 3.41Å; L462-S466 PolarHBondContact O-OG 2.97Å; L463-S466 PolarHBondContact O-N 3.19Å
467	C	87.1	Confident	89.9	Confident	15 Å²	15	29.2 Å²	29.2	10%	0.101	16%	0.156	C	C	.	.	S	Bend	trans	-133.8	0.4	-165.2	-58.7	0	0	0	0	114.6	R323 T324 Q442 L463	R323-C467 WeakPolarHBondContact CD-O 3.47Å; T324-C467 HydrophobicContact CG2-CB 3.7Å; T324-C467 VanDerWaalsContact CG2-SG 3.55Å; Q442-C467 WeakPolarHBondContact CB-SG 3.38Å; L463-C467 HydrophobicContact CD1-CB 3.73Å; L463-C467 HydrophobicContact CG-CB 4.27Å; L463-C467 WeakPolarHBondContact O-CA 3.29Å; L463-C467 WeakPolarHBondContact O-CB 3.23Å; L463-C467 PolarHBondContact O-N 2.92Å
468	S	87.4	Confident	89.8	Confident	14 Å²	14	29.4 Å²	29.4	10%	0.098	16%	0.158	C	C	.	.	S	Bend	trans	-134.2	176.2	-176.6	-177.8	0	0	0	0	109.5	S316 D319 N464	S316-S468 VanDerWaalsContact CA-OG 3.29Å; S316-S468 WeakPolarHBondContact CA-OG 3.28Å; S316-S468 VanDerWaalsContact CB-OG 3.26Å; S316-S468 WeakPolarHBondContact CB-OG 3.49Å; S316-S468 PolarHBondContact O-OG 3.29Å; D319-S468 PolarHBondContact OD2-OG 3.47Å; N464-S468 CarbonylContact O-C 3.59Å; N464-S468 WeakPolarHBondContact O-CB 3.43Å
469	T	82.3	Confident	90	Very high	85 Å²	85	29.6 Å²	29.6	52%	0.521	16%	0.159	S	C	.	.			trans	-111.1	137.5	164.6	-46.9	0	0	0	0	109.4	D319 R323	D319-T469 PolarHBondContact OD2-N 2.83Å; R323-T469 PolarHBondContact NH2-OG1 2.66Å
470	V	82.8	Confident	90.2	Very high	23 Å²	23	26.8 Å²	26.8	14%	0.139	15%	0.146	C	C	.	.			trans	-77.3	129.8	170.3	176.4	0	0	0	0	108.7	L465 T472 L475	L465-V470 HydrophobicContact CD2-CG2 4.18Å; V470-T472 PolarHBondContact O-N 3.37Å; V470-L475 HydrophobicContact CB-CD1 4.19Å; V470-L475 HydrophobicContact CB-CG 4.4Å; V470-L475 HydrophobicContact CG1-CD1 4.04Å; V470-L475 HydrophobicContact CG1-CD2 3.88Å; V470-L475 HydrophobicContact CG1-CG 3.71Å
471	P	89.2	Confident	90.4	Very high	34 Å²	34	26.8 Å²	26.8	22%	0.221	15%	0.146	C	C	.	.			trans	-60.6	132	-179.3	-24.8	34.2	0	0	0	112.9	E315 F473 V474 L475	E315-P471 WeakPolarHBondContact OE2-CG 3.3Å; P471-F473 PolarHBondContact O-N 2.95Å; P471-F473 VanDerWaalsContact O-N 3.12Å; P471-V474 HydrophobicContact CB-CG2 4.4Å; P471-V474 PolarHBondContact O-N 3.24Å; P471-L475 PolarHBondContact O-N 3.05Å
472	T	93.1	Very high	90.8	Very high	22 Å²	22	22.2 Å²	22.2	14%	0.135	13%	0.129	C	C	.	.	H	α-helix	trans	-53.9	-36.1	-178.6	-59.1	0	0	0	0	113.2	A143 D146 M147 Q177 V470 V474 L475 S476	A143-T472 HydrophobicContact CB-CG2 4.38Å; D146-T472 HydrophobicContact CB-CG2 3.4Å; D146-T472 VanDerWaalsContact CB-CG2 3.4Å; M147-T472 HydrophobicContact CG-CG2 3.48Å; M147-T472 VanDerWaalsContact CG-CG2 3.48Å; M147-T472 HydrophobicContact SD-CG2 4.21Å; Q177-T472 HydrophobicContact CG-CG2 3.73Å; Q177-T472 PolarHBondContact NE2-OG1 2.79Å; V470-T472 PolarHBondContact O-N 3.37Å; T472-V474 VanDerWaalsContact C-N 3.32Å; T472-V474 PolarHBondContact O-N 2.89Å; T472-L475 CarbonylContact O-C 3.53Å; T472-L475 PolarHBondContact O-N 3.08Å; T472-S476 PolarHBondContact O-N 2.99Å
473	F	93	Very high	91.3	Very high	37 Å²	37	20.4 Å²	20.4	16%	0.162	12%	0.119	C	C	.	.	H	α-helix	trans	-60.3	-37.1	176.5	-179.4	-93.2	0	0	0	113.3	F307 P471 S476 I477 H516 T519 F520	F307-F473 HydrophobicContact CD1-CE1 4.14Å; F307-F473 HydrophobicContact CE1-CE1 4.07Å; P471-F473 PolarHBondContact O-N 2.95Å; P471-F473 VanDerWaalsContact O-N 3.12Å; F473-S476 VanDerWaalsContact O-CB 3.32Å; F473-S476 WeakPolarHBondContact O-CB 3.36Å; F473-S476 PolarHBondContact O-N 2.66Å; F473-I477 HydrophobicContact CD1-CD1 4.33Å; F473-I477 HydrophobicContact CE1-CD1 3.7Å; F473-I477 HydrophobicContact CZ-CD1 4.19Å; F473-I477 PolarHBondContact O-N 3.32Å; F473-H516 HydrophobicContact CE2-CB 4.11Å; F473-H516 AromaticContact CE2-CD2 3.8Å; F473-H516 HydrophobicContact CZ-CB 3.89Å; F473-H516 AromaticContact CZ-CD2 3.99Å; F473-T519 HydrophobicContact CD2-CG2 4.19Å; F473-T519 HydrophobicContact CE2-CG2 4.04Å; F473-F520 HydrophobicContact CD1-CZ 4.47Å; F473-F520 HydrophobicContact CE1-CE2 4.04Å; F473-F520 AromaticContact CE1-CZ 3.73Å; F473-F520 HydrophobicContact CE1-CZ 3.73Å; F473-F520 HydrophobicContact CE2-CE2 4.08Å; F473-F520 AromaticContact CE2-CZ 3.94Å; F473-F520 HydrophobicContact CE2-CZ 3.94Å; F473-F520 AromaticContact CZ-CE2 3.42Å; F473-F520 HydrophobicContact CZ-CE2 3.42Å; F473-F520 VanDerWaalsContact CZ-CE2 3.42Å; F473-F520 AromaticContact CZ-CZ 3.42Å; F473-F520 HydrophobicContact CZ-CZ 3.42Å; F473-F520 VanDerWaalsContact CZ-CZ 3.42Å
474	V	92.7	Very high	91.6	Very high	8 Å²	8	20.4 Å²	20.4	5%	0.048	12%	0.119	C	C	.	.	H	α-helix	trans	-70.9	-41.7	176.6	175.7	0	0	0	0	110.4	F307 D308 C312 P471 T472 S476 I477 T478	F307-V474 HydrophobicContact CB-CG1 4.41Å; F307-V474 WeakPolarHBondContact O-CG1 3.2Å; D308-V474 HydrophobicContact CB-CG1 4.18Å; C312-V474 HydrophobicContact CB-CB 4.45Å; C312-V474 HydrophobicContact CB-CG1 4.06Å; C312-V474 HydrophobicContact CB-CG2 4.17Å; P471-V474 HydrophobicContact CB-CG2 4.4Å; P471-V474 PolarHBondContact O-N 3.24Å; T472-V474 VanDerWaalsContact C-N 3.32Å; T472-V474 PolarHBondContact O-N 2.89Å; V474-S476 VanDerWaalsContact C-N 3.25Å; V474-S476 PolarHBondContact O-N 2.89Å; V474-I477 WeakPolarHBondContact O-CB 3.4Å; V474-I477 PolarHBondContact O-N 2.8Å; V474-T478 PolarHBondContact O-N 3.38Å; V474-T478 VanDerWaalsContact O-N 3.13Å
475	L	92.8	Very high	92.1	Very high	38 Å²	38	19.9 Å²	19.9	20%	0.199	12%	0.117	C	C	.	.	H	α-helix	trans	-65	-28.6	174.6	-64.4	172.9	0	0	0	112.3	Q177 V470 P471 T472 I477 T478 A479	Q177-L475 HydrophobicContact CB-CB 3.86Å; Q177-L475 HydrophobicContact CB-CD1 3.83Å; Q177-L475 HydrophobicContact CB-CG 4.48Å; Q177-L475 HydrophobicContact CG-CB 3.98Å; Q177-L475 HydrophobicContact CG-CD1 3.65Å; Q177-L475 HydrophobicContact CG-CG 4.46Å; V470-L475 HydrophobicContact CB-CD1 4.19Å; V470-L475 HydrophobicContact CB-CG 4.4Å; V470-L475 HydrophobicContact CG1-CD1 4.04Å; V470-L475 HydrophobicContact CG1-CD2 3.88Å; V470-L475 HydrophobicContact CG1-CG 3.71Å; P471-L475 PolarHBondContact O-N 3.05Å; T472-L475 CarbonylContact O-C 3.53Å; T472-L475 PolarHBondContact O-N 3.08Å; L475-I477 VanDerWaalsContact C-N 3.32Å; L475-I477 PolarHBondContact O-N 3.1Å; L475-T478 PolarHBondContact O-N 3.24Å; L475-A479 WeakPolarHBondContact O-CB 3.44Å; L475-A479 PolarHBondContact O-N 2.84Å
476	S	96.3	Very high	93	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.1	-41.2	169.5	-174.2	0	0	0	0	111.9	T472 F473 V474 T480 H516	T472-S476 PolarHBondContact O-N 2.99Å; F473-S476 VanDerWaalsContact O-CB 3.32Å; F473-S476 WeakPolarHBondContact O-CB 3.36Å; F473-S476 PolarHBondContact O-N 2.66Å; V474-S476 VanDerWaalsContact C-N 3.25Å; V474-S476 PolarHBondContact O-N 2.89Å; S476-T480 VanDerWaalsContact O-CB 3.25Å; S476-T480 WeakPolarHBondContact O-CB 3.34Å; S476-T480 PolarHBondContact O-N 2.76Å; S476-T480 PolarHBondContact O-OG1 2.68Å; S476-H516 VanDerWaalsContact C-NE2 3.26Å; S476-H516 VanDerWaalsContact CB-NE2 3.34Å; S476-H516 WeakPolarHBondContact CB-NE2 3.41Å; S476-H516 PolarHBondContact O-NE2 3.31Å; S476-H516 PolarHBondContact OG-NE2 3.17Å
477	I	95.6	Very high	93.7	Very high	4 Å²	4	14.1 Å²	14.1	2%	0.021	8%	0.083	C	C	.	.	H	α-helix	trans	-66.6	-50.2	178.3	-68.6	173.2	0	0	0	110.3	F307 F473 V474 L475 T480 T481 V512 H516	F307-I477 HydrophobicContact CB-CD1 3.64Å; F307-I477 HydrophobicContact CB-CG2 4.34Å; F307-I477 HydrophobicContact CD1-CD1 3.37Å; F307-I477 HydrophobicContact CD2-CD1 3.77Å; F307-I477 HydrophobicContact CE1-CD1 3.9Å; F307-I477 HydrophobicContact CE2-CD1 4.25Å; F307-I477 HydrophobicContact CG-CD1 3.28Å; F307-I477 HydrophobicContact CZ-CD1 4.31Å; F473-I477 HydrophobicContact CD1-CD1 4.33Å; F473-I477 HydrophobicContact CE1-CD1 3.7Å; F473-I477 HydrophobicContact CZ-CD1 4.19Å; F473-I477 PolarHBondContact O-N 3.32Å; V474-I477 WeakPolarHBondContact O-CB 3.4Å; V474-I477 PolarHBondContact O-N 2.8Å; L475-I477 VanDerWaalsContact C-N 3.32Å; L475-I477 PolarHBondContact O-N 3.1Å; I477-T480 PolarHBondContact O-N 2.96Å; I477-T481 WeakPolarHBondContact O-CB 3.3Å; I477-T481 PolarHBondContact O-N 3.03Å; I477-T481 PolarHBondContact O-OG1 3.35Å; I477-V512 HydrophobicContact CG2-CG1 3.97Å; I477-H516 VanDerWaalsContact CG1-CD2 3.47Å; I477-H516 WeakPolarHBondContact CG1-CD2 3.15Å; I477-H516 WeakPolarHBondContact CG1-NE2 3.22Å; I477-H516 PolarHBondContact N-NE2 3.25Å
478	T	94.8	Very high	94.1	Very high	5 Å²	5	13.4 Å²	13.4	3%	0.031	8%	0.078	C	C	.	.	H	α-helix	trans	-54.2	-54.4	173.9	-72.9	0	0	0	0	111.7	E274 V474 L475 T480 T481 Q482	E274-T478 HydrophobicContact CG-CG2 4.13Å; E274-T478 WeakPolarHBondContact OE1-CG2 3.27Å; E274-T478 WeakPolarHBondContact OE2-CG2 3.4Å; V474-T478 PolarHBondContact O-N 3.38Å; V474-T478 VanDerWaalsContact O-N 3.13Å; L475-T478 PolarHBondContact O-N 3.24Å; T478-T480 PolarHBondContact O-N 3.13Å; T478-T481 WeakPolarHBondContact O-CB 3.12Å; T478-T481 PolarHBondContact O-N 2.88Å; T478-T481 VanDerWaalsContact O-N 3.13Å; T478-Q482 HydrophobicContact CG2-CG 4.46Å; T478-Q482 WeakPolarHBondContact O-CG 3.25Å; T478-Q482 PolarHBondContact O-N 2.8Å
479	A	97.4	Very high	94.6	Very high	4 Å²	4	13.1 Å²	13.1	3%	0.033	8%	0.076	C	C	.	.	H	α-helix	trans	-65.5	-35.3	-176.2	0	0	0	0	0	113.1	M147 L150 L181 L475 Q482 A483	M147-A479 HydrophobicContact CE-CB 3.77Å; L150-A479 HydrophobicContact CD2-CB 3.73Å; L181-A479 HydrophobicContact CB-CB 4.02Å; L181-A479 HydrophobicContact CD1-CB 4.19Å; L181-A479 WeakPolarHBondContact CD1-O 3.29Å; L181-A479 HydrophobicContact CD2-CB 4.19Å; L181-A479 HydrophobicContact CG-CB 4.36Å; L475-A479 WeakPolarHBondContact O-CB 3.44Å; L475-A479 PolarHBondContact O-N 2.84Å; A479-Q482 PolarHBondContact O-N 3.13Å; A479-A483 VanDerWaalsContact O-CB 3.3Å; A479-A483 WeakPolarHBondContact O-CB 3.47Å; A479-A483 PolarHBondContact O-N 3.19Å
480	T	97.6	Very high	95.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-67	-41.3	173.6	-54.2	0	0	0	0	110.9	L153 S476 I477 T478 A483 L484 V512 L515	L153-T480 HydrophobicContact CD2-CG2 4.03Å; S476-T480 VanDerWaalsContact O-CB 3.25Å; S476-T480 WeakPolarHBondContact O-CB 3.34Å; S476-T480 PolarHBondContact O-N 2.76Å; S476-T480 PolarHBondContact O-OG1 2.68Å; I477-T480 PolarHBondContact O-N 2.96Å; T478-T480 PolarHBondContact O-N 3.13Å; T480-A483 PolarHBondContact O-N 2.84Å; T480-L484 HydrophobicContact CG2-CD1 4.19Å; T480-L484 WeakPolarHBondContact O-CB 3.48Å; T480-L484 WeakPolarHBondContact O-CG 3.39Å; T480-L484 PolarHBondContact O-N 3.17Å; T480-V512 HydrophobicContact CG2-CG1 4.42Å; T480-V512 HydrophobicContact CG2-CG2 4.11Å; T480-L515 HydrophobicContact CG2-CD1 3.92Å
481	T	97.2	Very high	95.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.4	-47	174.5	-52.7	0	0	0	0	111.1	V298 I477 T478 L484 A485 L504	V298-T481 HydrophobicContact CB-CG2 3.8Å; V298-T481 HydrophobicContact CG1-CG2 3.93Å; I477-T481 WeakPolarHBondContact O-CB 3.3Å; I477-T481 PolarHBondContact O-N 3.03Å; I477-T481 PolarHBondContact O-OG1 3.35Å; T478-T481 WeakPolarHBondContact O-CB 3.12Å; T478-T481 PolarHBondContact O-N 2.88Å; T478-T481 VanDerWaalsContact O-N 3.13Å; T481-L484 PolarHBondContact O-N 2.82Å; T481-A485 WeakPolarHBondContact O-CB 3.32Å; T481-A485 PolarHBondContact O-N 3.27Å; T481-L504 HydrophobicContact CG2-CD2 3.75Å
482	Q	98	Very high	96.2	Very high	6 Å²	6	12 Å²	12	3%	0.028	7%	0.065	C	C	.	.	H	α-helix	trans	-63.7	-45.1	177	-71.5	168.2	-35	0	0	112.5	L181 L247 V272 E274 V298 T478 A479 L484 A485 L486	L181-Q482 HydrophobicContact CD2-CB 4.36Å; L181-Q482 VanDerWaalsContact CD2-OE1 3.25Å; L247-Q482 HydrophobicContact CD1-CB 4.06Å; L247-Q482 HydrophobicContact CD1-CG 3.84Å; L247-Q482 HydrophobicContact CD2-CB 4.38Å; V272-Q482 HydrophobicContact CG1-CG 4.44Å; E274-Q482 PolarHBondContact OE2-NE2 3.06Å; V298-Q482 HydrophobicContact CG2-CG 4.1Å; T478-Q482 HydrophobicContact CG2-CG 4.46Å; T478-Q482 WeakPolarHBondContact O-CG 3.25Å; T478-Q482 PolarHBondContact O-N 2.8Å; A479-Q482 PolarHBondContact O-N 3.13Å; Q482-L484 VanDerWaalsContact C-N 3.34Å; Q482-L484 PolarHBondContact O-N 3.39Å; Q482-A485 PolarHBondContact O-N 3.2Å; Q482-L486 WeakPolarHBondContact O-CB 3.22Å; Q482-L486 VanDerWaalsContact O-CG 3.31Å; Q482-L486 WeakPolarHBondContact O-CG 3.36Å; Q482-L486 PolarHBondContact O-N 3.41Å
483	A	98.1	Very high	96.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.3	-42.1	177.8	0	0	0	0	0	112	L150 L153 L181 L185 A479 T480 L486 I487	L150-A483 HydrophobicContact CD1-CB 4.27Å; L153-A483 HydrophobicContact CD2-CB 3.95Å; L181-A483 HydrophobicContact CD1-CB 4.03Å; L185-A483 HydrophobicContact CD2-CB 4.34Å; A479-A483 VanDerWaalsContact O-CB 3.3Å; A479-A483 WeakPolarHBondContact O-CB 3.47Å; A479-A483 PolarHBondContact O-N 3.19Å; T480-A483 PolarHBondContact O-N 2.84Å; A483-L486 PolarHBondContact O-N 3.13Å; A483-I487 WeakPolarHBondContact O-CD1 3.49Å; A483-I487 VanDerWaalsContact O-CG1 3.28Å; A483-I487 WeakPolarHBondContact O-CG1 3.32Å; A483-I487 PolarHBondContact O-N 3.33Å
484	L	97.6	Very high	96	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-68.4	-39.9	175.7	-71.2	170	0	0	0	112.4	L153 T480 T481 Q482 L486 I487 E488 M508 Y511 V512	L153-L484 HydrophobicContact CD1-CD2 3.95Å; L153-L484 HydrophobicContact CD2-CD2 4.08Å; L153-L484 HydrophobicContact CD2-CG 3.98Å; T480-L484 HydrophobicContact CG2-CD1 4.19Å; T480-L484 WeakPolarHBondContact O-CB 3.48Å; T480-L484 WeakPolarHBondContact O-CG 3.39Å; T480-L484 PolarHBondContact O-N 3.17Å; T481-L484 PolarHBondContact O-N 2.82Å; Q482-L484 VanDerWaalsContact C-N 3.34Å; Q482-L484 PolarHBondContact O-N 3.39Å; L484-L486 VanDerWaalsContact C-N 3.34Å; L484-L486 PolarHBondContact O-N 2.78Å; L484-I487 HydrophobicContact CD2-CD1 4.48Å; L484-I487 PolarHBondContact O-N 3.47Å; L484-E488 WeakPolarHBondContact O-CB 3.07Å; L484-E488 PolarHBondContact O-N 3.45Å; L484-M508 HydrophobicContact CB-SD 4.46Å; L484-Y511 HydrophobicContact CD1-CD1 3.9Å; L484-Y511 HydrophobicContact CD2-CD1 4.19Å; L484-Y511 HydrophobicContact CD2-CE1 4.29Å; L484-V512 HydrophobicContact CD1-CG2 3.62Å
485	A	97.8	Very high	95.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.3	-40.7	174.4	0	0	0	0	0	112.5	V272 M296 V298 T481 Q482 E488 L489 L504	V272-A485 HydrophobicContact CB-CB 4.42Å; V272-A485 HydrophobicContact CG1-CB 3.76Å; V272-A485 HydrophobicContact CG2-CB 3.69Å; M296-A485 HydrophobicContact CG-CB 4.24Å; M296-A485 HydrophobicContact SD-CB 3.49Å; M296-A485 WeakPolarHBondContact SD-CB 3.11Å; V298-A485 HydrophobicContact CG1-CB 3.62Å; T481-A485 WeakPolarHBondContact O-CB 3.32Å; T481-A485 PolarHBondContact O-N 3.27Å; Q482-A485 PolarHBondContact O-N 3.2Å; A485-E488 PolarHBondContact O-N 2.72Å; A485-L489 WeakPolarHBondContact O-CB 3.45Å; A485-L489 WeakPolarHBondContact O-CG 3.35Å; A485-L489 PolarHBondContact O-N 3.42Å; A485-L504 HydrophobicContact CB-CD1 4.14Å
486	L	98.4	Very high	95.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.9	-42.2	174.7	-72.4	164.2	0	0	0	111.8	I168 L185 M245 L247 V272 Q482 A483 L484 Y490	I168-L486 HydrophobicContact CD1-CD1 4.28Å; L185-L486 HydrophobicContact CD1-CD1 3.84Å; L185-L486 HydrophobicContact CD2-CD1 3.66Å; L185-L486 HydrophobicContact CG-CD1 4.43Å; M245-L486 HydrophobicContact CB-CD2 4.43Å; M245-L486 HydrophobicContact CE-CD2 3.79Å; L247-L486 HydrophobicContact CB-CD1 4.43Å; L247-L486 HydrophobicContact CD2-CD1 4.27Å; V272-L486 HydrophobicContact CB-CD2 4.36Å; V272-L486 HydrophobicContact CB-CG 4.47Å; V272-L486 HydrophobicContact CG2-CD2 3.8Å; V272-L486 HydrophobicContact CG2-CG 3.9Å; Q482-L486 WeakPolarHBondContact O-CB 3.22Å; Q482-L486 VanDerWaalsContact O-CG 3.31Å; Q482-L486 WeakPolarHBondContact O-CG 3.36Å; Q482-L486 PolarHBondContact O-N 3.41Å; A483-L486 PolarHBondContact O-N 3.13Å; L484-L486 VanDerWaalsContact C-N 3.34Å; L484-L486 PolarHBondContact O-N 2.78Å; L486-Y490 WeakPolarHBondContact O-CB 3.38Å; L486-Y490 PolarHBondContact O-N 2.99Å
487	I	97.8	Very high	95.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.1	-47.6	174	-72.5	160.4	0	0	0	110.8	Y29 P162 L163 L188 A483 L484 Y490 N491	Y29-I487 HydrophobicContact CD2-CG2 4.46Å; Y29-I487 HydrophobicContact CE2-CG2 3.86Å; P162-I487 HydrophobicContact CB-CG1 4.34Å; P162-I487 HydrophobicContact CB-CG2 4.22Å; P162-I487 HydrophobicContact CG-CD1 4.18Å; P162-I487 HydrophobicContact CG-CG1 4.08Å; L163-I487 HydrophobicContact CD1-CG1 4.36Å; L163-I487 HydrophobicContact CD2-CG1 4.07Å; L163-I487 HydrophobicContact CG-CG1 4.09Å; L188-I487 HydrophobicContact CD1-CD1 4.07Å; A483-I487 WeakPolarHBondContact O-CD1 3.49Å; A483-I487 VanDerWaalsContact O-CG1 3.28Å; A483-I487 WeakPolarHBondContact O-CG1 3.32Å; A483-I487 PolarHBondContact O-N 3.33Å; L484-I487 HydrophobicContact CD2-CD1 4.48Å; L484-I487 PolarHBondContact O-N 3.47Å; I487-Y490 PolarHBondContact O-N 3.47Å; I487-N491 WeakPolarHBondContact O-CB 3.41Å; I487-N491 PolarHBondContact O-N 3.2Å; I487-N491 PolarHBondContact O-ND2 3.06Å
488	E	96.7	Very high	95.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-52.3	-178.3	177	57.4	-159.6	0	0	111.7	M296 L484 A485 Y490 N491 A492 R496 Y497 P505 M508	M296-E488 HydrophobicContact CE-CB 4.47Å; M296-E488 HydrophobicContact CE-CG 3.91Å; L484-E488 WeakPolarHBondContact O-CB 3.07Å; L484-E488 PolarHBondContact O-N 3.45Å; A485-E488 PolarHBondContact O-N 2.72Å; E488-Y490 VanDerWaalsContact C-N 3.34Å; E488-Y490 PolarHBondContact O-N 3.04Å; E488-N491 PolarHBondContact O-N 3.15Å; E488-A492 VanDerWaalsContact O-CB 3.3Å; E488-A492 WeakPolarHBondContact O-CB 3.39Å; E488-A492 PolarHBondContact O-N 3.47Å; E488-R496 IonicContact OE1-CZ 3.69Å; E488-R496 IonicContact OE1-NE 3.97Å; E488-R496 PolarHBondContact OE1-NE 3.24Å; E488-R496 IonicContact OE1-NH2 3.5Å; E488-R496 PolarHBondContact OE1-NH2 3.01Å; E488-R496 IonicContact OE2-NH2 3.88Å; E488-Y497 HydrophobicContact CG-CE2 3.96Å; E488-Y497 WeakPolarHBondContact CG-OH 3.35Å; E488-Y497 WeakPolarHBondContact OE1-CE2 3.34Å; E488-Y497 PolarHBondContact OE1-OH 3.18Å; E488-P505 HydrophobicContact CG-CG 4.24Å; E488-M508 HydrophobicContact CB-CE 3.91Å; E488-M508 HydrophobicContact CB-SD 3.87Å; E488-M508 HydrophobicContact CG-CE 4.2Å; E488-M508 HydrophobicContact CG-SD 4.16Å; E488-M508 WeakPolarHBondContact OE2-CE 3.06Å
489	L	96.9	Very high	95.8	Very high	9 Å²	9	40.1 Å²	40.1	5%	0.047	21%	0.208	C	C	.	.	H	α-helix	trans	-64.1	-36.1	179.2	-72.7	178.2	0	0	0	112.8	M245 I271 V272 P294 M296 A485 Y497	M245-L489 HydrophobicContact CE-CB 3.75Å; M245-L489 HydrophobicContact CE-CD1 4.26Å; I271-L489 VanDerWaalsContact O-CD1 3.31Å; I271-L489 WeakPolarHBondContact O-CD1 3.22Å; V272-L489 HydrophobicContact CG2-CD1 3.73Å; P294-L489 HydrophobicContact CB-CD2 4.38Å; P294-L489 HydrophobicContact CG-CD2 4.49Å; M296-L489 HydrophobicContact CB-CD1 3.8Å; M296-L489 HydrophobicContact CB-CD2 4.46Å; M296-L489 HydrophobicContact CB-CG 4.26Å; M296-L489 HydrophobicContact CE-CD2 4.03Å; M296-L489 HydrophobicContact CE-CG 4.11Å; A485-L489 WeakPolarHBondContact O-CB 3.45Å; A485-L489 WeakPolarHBondContact O-CG 3.35Å; A485-L489 PolarHBondContact O-N 3.42Å; L489-Y497 HydrophobicContact CD2-CD2 3.86Å; L489-Y497 HydrophobicContact CD2-CE2 4.15Å; L489-Y497 HydrophobicContact CD2-CG 4.2Å
490	Y	97.4	Very high	95.7	Very high	29 Å²	29	43.2 Å²	43.2	11%	0.114	22%	0.224	C	C	.	.	H	α-helix	trans	-75.4	-31.2	-178.1	-175.4	-102.8	0	0	0	113.5	P162 L163 A164 G165 A166 M245 R269 L486 I487 E488	P162-Y490 WeakPolarHBondContact O-CD1 3.43Å; L163-Y490 HydrophobicContact CD2-CD1 4.24Å; L163-Y490 HydrophobicContact CD2-CG 4.3Å; A164-Y490 WeakPolarHBondContact O-CE1 3.42Å; A164-Y490 PolarHBondContact O-OH 3.21Å; G165-Y490 WeakPolarHBondContact CA-OH 3.35Å; G165-Y490 PolarHBondContact O-OH 2.94Å; A166-Y490 HydrophobicContact CB-CD1 4.44Å; A166-Y490 HydrophobicContact CB-CD2 3.89Å; A166-Y490 HydrophobicContact CB-CE1 4.35Å; A166-Y490 HydrophobicContact CB-CE2 3.82Å; A166-Y490 HydrophobicContact CB-CG 4.22Å; A166-Y490 PolarHBondContact N-OH 3.08Å; M245-Y490 HydrophobicContact CG-CD2 4.05Å; M245-Y490 HydrophobicContact SD-CD2 4.23Å; R269-Y490 PolarHBondContact NH1-O 3.34Å; L486-Y490 WeakPolarHBondContact O-CB 3.38Å; L486-Y490 PolarHBondContact O-N 2.99Å; I487-Y490 PolarHBondContact O-N 3.47Å; E488-Y490 VanDerWaalsContact C-N 3.34Å; E488-Y490 PolarHBondContact O-N 3.04Å
491	N	95.9	Very high	95.7	Very high	64 Å²	64	43.9 Å²	43.9	34%	0.342	23%	0.228	S	C	.	.	H	α-helix	trans	-103.1	-0.1	-178.7	-64.4	-83	0	0	0	114.1	V25 P162 I487 E488	V25-N491 HydrophobicContact CG2-CB 4.48Å; P162-N491 PolarHBondContact O-ND2 2.86Å; P162-N491 PolarHBondContact O-OD1 3.23Å; I487-N491 WeakPolarHBondContact O-CB 3.41Å; I487-N491 PolarHBondContact O-N 3.2Å; I487-N491 PolarHBondContact O-ND2 3.06Å; E488-N491 PolarHBondContact O-N 3.15Å
492	A	94.4	Very high	95.7	Very high	25 Å²	25	46.8 Å²	46.8	21%	0.207	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-56.9	132.3	175.7	0	0	0	0	0	111.3	E488 R496 Y497	E488-A492 VanDerWaalsContact O-CB 3.3Å; E488-A492 WeakPolarHBondContact O-CB 3.39Å; E488-A492 PolarHBondContact O-N 3.47Å; A492-R496 HydrophobicContact CB-CB 4.43Å; A492-Y497 HydrophobicContact CB-CD2 3.65Å; A492-Y497 HydrophobicContact CB-CE2 3.91Å
493	P	92.9	Very high	95.5	Very high	78 Å²	78	50.9 Å²	50.9	51%	0.506	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-61.4	147.4	169.5	24.8	-33.4	0	0	0	110.9	G495 R496	P493-G495 PolarHBondContact O-N 2.88Å; P493-R496 HydrophobicContact CG-CB 4.2Å; P493-R496 VanDerWaalsContact O-CB 3.24Å; P493-R496 WeakPolarHBondContact O-CB 3.43Å; P493-R496 PolarHBondContact O-N 3.14Å; P493-R496 VanDerWaalsContact O-N 3.12Å
494	E	89.6	Confident	95.3	Very high	208 Å²	208	51.4 Å²	51.4	97%	0.972	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	132	-176.7	-170.5	171.2	-176.5	0	0	111.5
495	G	90.3	Very high	95.1	Very high	51 Å²	51	52.9 Å²	52.9	53%	0.526	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-12.6	-177.6	0	0	0	0	0	116.3	P493 Y497	P493-G495 PolarHBondContact O-N 2.88Å; G495-Y497 VanDerWaalsContact C-N 3.34Å; G495-Y497 PolarHBondContact O-N 3.26Å
496	R	92.7	Very high	94.9	Very high	64 Å²	64	53.8 Å²	53.8	24%	0.242	28%	0.277	C	S	.	.	S	Bend	trans	-58.5	-44.9	174.7	176.6	176.9	174.7	106.8	-11.2	112.1	S22 E488 A492 P493	S22-R496 PolarHBondContact O-NH1 3.2Å; S22-R496 PolarHBondContact O-NH2 2.98Å; E488-R496 IonicContact OE1-CZ 3.69Å; E488-R496 IonicContact OE1-NE 3.97Å; E488-R496 PolarHBondContact OE1-NE 3.24Å; E488-R496 IonicContact OE1-NH2 3.5Å; E488-R496 PolarHBondContact OE1-NH2 3.01Å; E488-R496 IonicContact OE2-NH2 3.88Å; A492-R496 HydrophobicContact CB-CB 4.43Å; P493-R496 HydrophobicContact CG-CB 4.2Å; P493-R496 VanDerWaalsContact O-CB 3.24Å; P493-R496 WeakPolarHBondContact O-CB 3.43Å; P493-R496 PolarHBondContact O-N 3.14Å; P493-R496 VanDerWaalsContact O-N 3.12Å
497	Y	96	Very high	94.6	Very high	34 Å²	34	54.6 Å²	54.6	13%	0.133	28%	0.281	C	S	.	.	S	Bend	trans	-113.1	130.3	174.2	-63.7	-65.6	0	0	0	109.9	M296 E488 L489 A492 G495 Y502 P505	M296-Y497 HydrophobicContact CE-CE1 4.33Å; M296-Y497 HydrophobicContact CE-CE2 4.38Å; E488-Y497 HydrophobicContact CG-CE2 3.96Å; E488-Y497 WeakPolarHBondContact CG-OH 3.35Å; E488-Y497 WeakPolarHBondContact OE1-CE2 3.34Å; E488-Y497 PolarHBondContact OE1-OH 3.18Å; L489-Y497 HydrophobicContact CD2-CD2 3.86Å; L489-Y497 HydrophobicContact CD2-CE2 4.15Å; L489-Y497 HydrophobicContact CD2-CG 4.2Å; A492-Y497 HydrophobicContact CB-CD2 3.65Å; A492-Y497 HydrophobicContact CB-CE2 3.91Å; G495-Y497 VanDerWaalsContact C-N 3.34Å; G495-Y497 PolarHBondContact O-N 3.26Å; Y497-Y502 AromaticContact CD1-CD1 3.7Å; Y497-Y502 HydrophobicContact CD1-CD1 3.7Å; Y497-Y502 AromaticContact CD1-CD2 3.6Å; Y497-Y502 HydrophobicContact CD1-CD2 3.6Å; Y497-Y502 AromaticContact CD1-CE1 3.91Å; Y497-Y502 HydrophobicContact CD1-CE1 3.91Å; Y497-Y502 AromaticContact CD1-CE2 3.81Å; Y497-Y502 HydrophobicContact CD1-CE2 3.81Å; Y497-Y502 AromaticContact CD1-CG 3.54Å; Y497-Y502 HydrophobicContact CD1-CG 3.54Å; Y497-Y502 AromaticContact CD1-CZ 3.96Å; Y497-Y502 AromaticContact CE1-CD1 3.89Å; Y497-Y502 HydrophobicContact CE1-CD1 3.89Å; Y497-Y502 HydrophobicContact CE1-CD2 4.31Å; Y497-Y502 HydrophobicContact CE1-CE1 4.44Å; Y497-Y502 AromaticContact CE1-CG 3.82Å; Y497-Y502 HydrophobicContact CE1-CG 3.82Å; Y497-Y502 HydrophobicContact CG-CD2 4.42Å; Y497-Y502 HydrophobicContact CG-CE2 4.45Å; Y497-P505 WeakPolarHBondContact OH-CG 3.44Å
498	K	94.4	Very high	94.5	Very high	147 Å²	147	54.8 Å²	54.8	64%	0.639	28%	0.282	S	S	*	.			trans	-103.4	-171.8	179.3	-59.8	177.4	-176.4	171.7	0	109.4	P294 D500 Y502	P294-K498 VanDerWaalsContact CA-O 3.31Å; P294-K498 WeakPolarHBondContact CA-O 3.36Å; P294-K498 VanDerWaalsContact CB-O 3.29Å; P294-K498 WeakPolarHBondContact CB-O 3.47Å; K498-D500 PolarHBondContact O-N 3.06Å; K498-Y502 WeakPolarHBondContact CB-OH 3.36Å; K498-Y502 PolarHBondContact N-OH 2.89Å
499	Q	94.2	Very high	94.3	Very high	122 Å²	122	55.2 Å²	55.2	57%	0.57	28%	0.284	S	S	*	.	S	Bend	trans	-78.3	55.4	-174.8	-58.9	-178.6	-28.2	0	0	112.5	C292	C292-Q499 PolarHBondContact O-NE2 2.96Å
500	D	96.9	Very high	94.3	Very high	69 Å²	69	56.4 Å²	56.4	37%	0.369	29%	0.289	S	S	.	.	S	Bend	trans	-143.7	175.7	-173.8	-155.8	-1.4	0	0	0	111.7	S286 A295 K498 Y502	S286-D500 VanDerWaalsContact CB-OD1 3.32Å; S286-D500 WeakPolarHBondContact CB-OD1 3.49Å; S286-D500 PolarHBondContact OG-OD1 2.92Å; A295-D500 PolarHBondContact N-O 3.44Å; K498-D500 PolarHBondContact O-N 3.06Å; D500-Y502 HydrophobicContact CB-CE2 4.11Å; D500-Y502 WeakPolarHBondContact O-CD2 3.44Å
501	V	97.6	Very high	94.1	Very high	14 Å²	14	55.6 Å²	55.6	9%	0.085	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.8	-177.6	-172.8	0	0	0	0	110.6	L282 Y283 L291 A295 N297	L282-V501 HydrophobicContact CB-CG2 3.79Å; Y283-V501 HydrophobicContact CD1-CB 3.82Å; Y283-V501 HydrophobicContact CD1-CG1 4.22Å; Y283-V501 HydrophobicContact CD1-CG2 3.95Å; Y283-V501 HydrophobicContact CE1-CB 3.54Å; Y283-V501 HydrophobicContact CE1-CG1 3.73Å; Y283-V501 HydrophobicContact CE1-CG2 4.2Å; Y283-V501 HydrophobicContact CE2-CG1 4.37Å; Y283-V501 HydrophobicContact CG-CG2 4.49Å; L291-V501 HydrophobicContact CD2-CG2 3.91Å; A295-V501 HydrophobicContact CB-CG2 4.37Å; A295-V501 WeakPolarHBondContact O-CA 3.32Å; N297-V501 HydrophobicContact CB-CG1 3.92Å
502	Y	96.3	Very high	94.1	Very high	62 Å²	62	52.5 Å²	52.5	24%	0.243	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	153.8	-177.8	-64.5	-92.3	0	0	0	111.7	A295 M296 N297 Y497 K498 D500	A295-Y502 PolarHBondContact O-N 3.34Å; M296-Y502 CarbonylContact C-O 3.42Å; M296-Y502 WeakPolarHBondContact CA-O 3.49Å; N297-Y502 PolarHBondContact N-O 3.43Å; Y497-Y502 AromaticContact CD1-CD1 3.7Å; Y497-Y502 HydrophobicContact CD1-CD1 3.7Å; Y497-Y502 AromaticContact CD1-CD2 3.6Å; Y497-Y502 HydrophobicContact CD1-CD2 3.6Å; Y497-Y502 AromaticContact CD1-CE1 3.91Å; Y497-Y502 HydrophobicContact CD1-CE1 3.91Å; Y497-Y502 AromaticContact CD1-CE2 3.81Å; Y497-Y502 HydrophobicContact CD1-CE2 3.81Å; Y497-Y502 AromaticContact CD1-CG 3.54Å; Y497-Y502 HydrophobicContact CD1-CG 3.54Å; Y497-Y502 AromaticContact CD1-CZ 3.96Å; Y497-Y502 AromaticContact CE1-CD1 3.89Å; Y497-Y502 HydrophobicContact CE1-CD1 3.89Å; Y497-Y502 HydrophobicContact CE1-CD2 4.31Å; Y497-Y502 HydrophobicContact CE1-CE1 4.44Å; Y497-Y502 AromaticContact CE1-CG 3.82Å; Y497-Y502 HydrophobicContact CE1-CG 3.82Å; Y497-Y502 HydrophobicContact CG-CD2 4.42Å; Y497-Y502 HydrophobicContact CG-CE2 4.45Å; K498-Y502 WeakPolarHBondContact CB-OH 3.36Å; K498-Y502 PolarHBondContact N-OH 2.89Å; D500-Y502 HydrophobicContact CB-CE2 4.11Å; D500-Y502 WeakPolarHBondContact O-CD2 3.44Å
503	L	94.4	Very high	94.2	Very high	91 Å²	91	53.2 Å²	53.2	48%	0.476	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	155.1	163.9	-62	175.7	0	0	0	110	N297 D300	N297-L503 HydrophobicContact CB-CD2 4.34Å; D300-L503 HydrophobicContact CB-CD2 3.73Å
504	L	93.4	Very high	94.3	Very high	11 Å²	11	51.4 Å²	51.4	6%	0.058	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-55.9	134.9	167.7	-176.6	71.9	0	0	0	110	M296 T481 A485 K506 M508 D509	M296-L504 HydrophobicContact SD-CB 4.12Å; M296-L504 HydrophobicContact SD-CD1 3.54Å; M296-L504 VanDerWaalsContact SD-CD1 3.54Å; M296-L504 HydrophobicContact SD-CG 4.44Å; T481-L504 HydrophobicContact CG2-CD2 3.75Å; A485-L504 HydrophobicContact CB-CD1 4.14Å; L504-K506 PolarHBondContact O-N 3.46Å; L504-M508 HydrophobicContact CD1-CB 4.03Å; L504-M508 HydrophobicContact CD1-SD 3.99Å; L504-M508 HydrophobicContact CD2-CB 4.03Å; L504-M508 HydrophobicContact CG-CB 3.97Å; L504-D509 HydrophobicContact CD2-CB 4.23Å
505	P	93.6	Very high	94.5	Very high	32 Å²	32	42 Å²	42	21%	0.208	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-57.3	128.4	175.9	-26.1	36.2	0	0	0	111.2	E488 Y497 K507 M508 D509	E488-P505 HydrophobicContact CG-CG 4.24Å; Y497-P505 WeakPolarHBondContact OH-CG 3.44Å; P505-K507 PolarHBondContact O-N 3.01Å; P505-M508 WeakPolarHBondContact O-CA 3.49Å; P505-M508 WeakPolarHBondContact O-CB 3.47Å; P505-M508 PolarHBondContact O-N 2.74Å; P505-D509 PolarHBondContact O-N 3.18Å
506	K	92.9	Very high	94.8	Very high	19 Å²	19	39.8 Å²	39.8	8%	0.083	20%	0.197	C	C	.	.	H	α-helix	trans	-54.7	-32.6	-171.9	-179.6	174.3	-68.9	-58.6	0	114.6	L504 M508 D509 E510 P542 K544 Y550	L504-K506 PolarHBondContact O-N 3.46Å; K506-M508 PolarHBondContact O-N 3.48Å; K506-D509 PolarHBondContact O-N 3.33Å; K506-E510 HydrophobicContact CG-CG 4.14Å; K506-E510 WeakPolarHBondContact O-CB 3.43Å; K506-E510 WeakPolarHBondContact O-CG 3.26Å; K506-E510 PolarHBondContact O-N 3.13Å; K506-P542 HydrophobicContact CB-CB 4.29Å; K506-P542 HydrophobicContact CD-CB 4.16Å; K506-P542 HydrophobicContact CG-CB 4.16Å; K506-K544 HydrophobicContact CD-CB 4.27Å; K506-K544 WeakPolarHBondContact CD-O 3.32Å; K506-K544 WeakPolarHBondContact CE-O 3.3Å; K506-Y550 PolarHBondContact NZ-OH 2.65Å; K506-Y550 VanDerWaalsContact NZ-OH 3.13Å
507	K	93	Very high	94.9	Very high	18 Å²	18	39.1 Å²	39.1	8%	0.078	20%	0.198	C	C	.	.	H	α-helix	trans	-63.2	-24.5	175.5	-167.6	162	-178.7	159.1	0	112.8	A26 E27 P505 Y511 N540 G541	A26-K507 HydrophobicContact CB-CB 4.42Å; E27-K507 IonicContact OE1-NZ 3.64Å; E27-K507 PolarHBondContact OE1-NZ 3.41Å; P505-K507 PolarHBondContact O-N 3.01Å; K507-Y511 WeakPolarHBondContact O-CB 3.46Å; K507-Y511 PolarHBondContact O-N 3.34Å; K507-N540 WeakPolarHBondContact CE-O 3.11Å; K507-G541 PolarHBondContact NZ-O 3.12Å; K507-G541 VanDerWaalsContact NZ-O 3.13Å
508	M	94.3	Very high	94.6	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.02	23%	0.225	C	C	.	.	H	α-helix	trans	-82.8	-38.9	171.1	-64.6	-173.7	166.8	0	0	112.5	V25 A26 L484 E488 L504 P505 K506 E510 Y511 V512	V25-M508 HydrophobicContact CG1-CE 4.01Å; A26-M508 HydrophobicContact CB-CE 4.07Å; A26-M508 HydrophobicContact CB-CG 4.32Å; L484-M508 HydrophobicContact CB-SD 4.46Å; E488-M508 HydrophobicContact CB-CE 3.91Å; E488-M508 HydrophobicContact CB-SD 3.87Å; E488-M508 HydrophobicContact CG-CE 4.2Å; E488-M508 HydrophobicContact CG-SD 4.16Å; E488-M508 WeakPolarHBondContact OE2-CE 3.06Å; L504-M508 HydrophobicContact CD1-CB 4.03Å; L504-M508 HydrophobicContact CD1-SD 3.99Å; L504-M508 HydrophobicContact CD2-CB 4.03Å; L504-M508 HydrophobicContact CG-CB 3.97Å; P505-M508 WeakPolarHBondContact O-CA 3.49Å; P505-M508 WeakPolarHBondContact O-CB 3.47Å; P505-M508 PolarHBondContact O-N 2.74Å; K506-M508 PolarHBondContact O-N 3.48Å; M508-E510 VanDerWaalsContact C-N 3.35Å; M508-Y511 CarbonylContact O-C 3.54Å; M508-Y511 WeakPolarHBondContact O-CA 3.25Å; M508-Y511 WeakPolarHBondContact O-CB 3.47Å; M508-Y511 PolarHBondContact O-N 3.22Å; M508-V512 WeakPolarHBondContact O-CG2 3.31Å; M508-V512 PolarHBondContact O-N 3.27Å
509	D	93.6	Very high	94.5	Very high	9 Å²	9	37.7 Å²	37.7	5%	0.048	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-41.2	173.6	-168	31.4	0	0	0	111.1	S301 V302 T303 L504 P505 K506 Y511 V512 A513	S301-D509 PolarHBondContact OG-OD1 3.24Å; V302-D509 WeakPolarHBondContact CB-OD2 3.39Å; V302-D509 VanDerWaalsContact CG2-OD2 3.31Å; V302-D509 WeakPolarHBondContact CG2-OD2 3.14Å; V302-D509 PolarHBondContact N-OD1 3.41Å; V302-D509 PolarHBondContact N-OD2 2.67Å; T303-D509 WeakPolarHBondContact CB-OD1 3.43Å; T303-D509 WeakPolarHBondContact CG2-O 3.38Å; T303-D509 WeakPolarHBondContact CG2-OD1 3.3Å; T303-D509 PolarHBondContact N-OD1 3.19Å; T303-D509 PolarHBondContact OG1-OD1 3.14Å; L504-D509 HydrophobicContact CD2-CB 4.23Å; P505-D509 PolarHBondContact O-N 3.18Å; K506-D509 PolarHBondContact O-N 3.33Å; D509-Y511 VanDerWaalsContact C-N 3.34Å; D509-V512 PolarHBondContact O-N 3.25Å; D509-A513 PolarHBondContact O-N 3.33Å
510	E	95.8	Very high	94.5	Very high	34 Å²	34	37.9 Å²	37.9	16%	0.159	21%	0.213	C	C	.	.	H	α-helix	trans	-66.3	-32.8	169.9	-69.6	174.9	175.6	0	0	112.1	K506 M508 A513 S514 P542 F543	K506-E510 HydrophobicContact CG-CG 4.14Å; K506-E510 WeakPolarHBondContact O-CB 3.43Å; K506-E510 WeakPolarHBondContact O-CG 3.26Å; K506-E510 PolarHBondContact O-N 3.13Å; M508-E510 VanDerWaalsContact C-N 3.35Å; E510-A513 PolarHBondContact O-N 2.69Å; E510-S514 PolarHBondContact O-N 3.42Å; E510-P542 VanDerWaalsContact OE2-CA 3.26Å; E510-P542 WeakPolarHBondContact OE2-CA 3.05Å; E510-F543 PolarHBondContact OE1-N 3.28Å; E510-F543 VanDerWaalsContact OE2-CD2 3.29Å; E510-F543 WeakPolarHBondContact OE2-CD2 3.38Å; E510-F543 PolarHBondContact OE2-N 2.72Å
511	Y	94.9	Very high	94.3	Very high	11 Å²	11	40.5 Å²	40.5	4%	0.043	23%	0.227	C	C	.	.	H	α-helix	trans	-69.9	-40.3	173.8	-176	-128	0	0	0	112.4	Y29 L153 R156 L484 K507 M508 D509 A513 S514 L515	Y29-Y511 PolarHBondContact O-OH 3.29Å; L153-Y511 HydrophobicContact CD1-CE1 4.31Å; R156-Y511 WeakPolarHBondContact CD-OH 3.26Å; R156-Y511 PolarHBondContact NH1-OH 3.33Å; L484-Y511 HydrophobicContact CD1-CD1 3.9Å; L484-Y511 HydrophobicContact CD2-CD1 4.19Å; L484-Y511 HydrophobicContact CD2-CE1 4.29Å; K507-Y511 WeakPolarHBondContact O-CB 3.46Å; K507-Y511 PolarHBondContact O-N 3.34Å; M508-Y511 CarbonylContact O-C 3.54Å; M508-Y511 WeakPolarHBondContact O-CA 3.25Å; M508-Y511 WeakPolarHBondContact O-CB 3.47Å; M508-Y511 PolarHBondContact O-N 3.22Å; D509-Y511 VanDerWaalsContact C-N 3.34Å; Y511-A513 VanDerWaalsContact C-N 3.31Å; Y511-A513 PolarHBondContact O-N 2.84Å; Y511-S514 WeakPolarHBondContact CA-OG 3.4Å; Y511-S514 WeakPolarHBondContact CD2-OG 3.35Å; Y511-S514 PolarHBondContact O-N 3.06Å; Y511-S514 VanDerWaalsContact O-N 3.15Å; Y511-S514 PolarHBondContact O-OG 3.01Å; Y511-L515 HydrophobicContact CD1-CD1 4.2Å; Y511-L515 HydrophobicContact CD2-CG 4.35Å; Y511-L515 HydrophobicContact CE1-CD1 3.84Å; Y511-L515 HydrophobicContact CE1-CG 4.45Å; Y511-L515 HydrophobicContact CE2-CD1 4.28Å; Y511-L515 HydrophobicContact CE2-CD2 3.99Å; Y511-L515 HydrophobicContact CE2-CG 3.99Å; Y511-L515 WeakPolarHBondContact O-CG 3.21Å; Y511-L515 PolarHBondContact O-N 3.41Å
512	V	95.6	Very high	94.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-53.7	-50.6	170.9	174.2	0	0	0	0	109.8	T303 I477 T480 L484 M508 D509 S514 L515 H516	T303-V512 HydrophobicContact CG2-CB 4.28Å; T303-V512 HydrophobicContact CG2-CG1 4.19Å; I477-V512 HydrophobicContact CG2-CG1 3.97Å; T480-V512 HydrophobicContact CG2-CG1 4.42Å; T480-V512 HydrophobicContact CG2-CG2 4.11Å; L484-V512 HydrophobicContact CD1-CG2 3.62Å; M508-V512 WeakPolarHBondContact O-CG2 3.31Å; M508-V512 PolarHBondContact O-N 3.27Å; D509-V512 PolarHBondContact O-N 3.25Å; V512-S514 PolarHBondContact O-N 3.47Å; V512-L515 PolarHBondContact O-N 3.11Å; V512-H516 PolarHBondContact O-N 3.22Å; V512-H516 PolarHBondContact O-ND1 2.67Å
513	A	95.8	Very high	94.2	Very high	40 Å²	40	46.5 Å²	46.5	33%	0.331	26%	0.263	S	S	.	.	H	α-helix	trans	-57.9	-47.9	176.6	0	0	0	0	0	111.7	T303 D509 E510 Y511 L515 H516 L517	T303-A513 HydrophobicContact CG2-CB 3.97Å; D509-A513 PolarHBondContact O-N 3.33Å; E510-A513 PolarHBondContact O-N 2.69Å; Y511-A513 VanDerWaalsContact C-N 3.31Å; Y511-A513 PolarHBondContact O-N 2.84Å; A513-L515 VanDerWaalsContact C-N 3.28Å; A513-L515 PolarHBondContact O-N 3.04Å; A513-H516 PolarHBondContact O-N 3.38Å; A513-L517 WeakPolarHBondContact O-CG 3.29Å; A513-L517 PolarHBondContact O-N 3.05Å
514	S	95.3	Very high	94.3	Very high	40 Å²	40	48.1 Å²	48.1	28%	0.28	27%	0.271	S	S	.	.	H	α-helix	trans	-58.6	-34.2	-179	79.2	0	0	0	0	114.2	E510 Y511 V512 H516	E510-S514 PolarHBondContact O-N 3.42Å; Y511-S514 WeakPolarHBondContact CA-OG 3.4Å; Y511-S514 WeakPolarHBondContact CD2-OG 3.35Å; Y511-S514 PolarHBondContact O-N 3.06Å; Y511-S514 VanDerWaalsContact O-N 3.15Å; Y511-S514 PolarHBondContact O-OG 3.01Å; V512-S514 PolarHBondContact O-N 3.47Å; S514-H516 VanDerWaalsContact C-N 3.34Å
515	L	94.4	Very high	94.4	Very high	9 Å²	9	54.1 Å²	54.1	5%	0.047	31%	0.309	C	S	.	.	H	α-helix	trans	-71.8	-26.4	177.9	-70.3	171.7	0	0	0	113.1	A149 L153 T480 Y511 V512 A513	A149-L515 HydrophobicContact CB-CB 3.81Å; A149-L515 WeakPolarHBondContact CB-O 3.12Å; L153-L515 HydrophobicContact CB-CD1 4.25Å; T480-L515 HydrophobicContact CG2-CD1 3.92Å; Y511-L515 HydrophobicContact CD1-CD1 4.2Å; Y511-L515 HydrophobicContact CD2-CG 4.35Å; Y511-L515 HydrophobicContact CE1-CD1 3.84Å; Y511-L515 HydrophobicContact CE1-CG 4.45Å; Y511-L515 HydrophobicContact CE2-CD1 4.28Å; Y511-L515 HydrophobicContact CE2-CD2 3.99Å; Y511-L515 HydrophobicContact CE2-CG 3.99Å; Y511-L515 WeakPolarHBondContact O-CG 3.21Å; Y511-L515 PolarHBondContact O-N 3.41Å; V512-L515 PolarHBondContact O-N 3.11Å; A513-L515 VanDerWaalsContact C-N 3.28Å; A513-L515 PolarHBondContact O-N 3.04Å
516	H	95.7	Very high	94.5	Very high	6 Å²	6	60 Å²	60	3%	0.028	33%	0.334	C	S	.	.	H	α-helix	trans	-90.4	-24.6	-177.9	-70.1	82.8	0	0	0	113.6	A149 F473 S476 I477 V512 A513 S514 A518 T519	A149-H516 HydrophobicContact CB-CB 4.45Å; A149-H516 VanDerWaalsContact CB-CD2 3.48Å; A149-H516 WeakPolarHBondContact CB-CD2 3.31Å; A149-H516 WeakPolarHBondContact CB-CE1 3.37Å; A149-H516 WeakPolarHBondContact CB-ND1 3.47Å; A149-H516 VanDerWaalsContact CB-NE2 3.29Å; A149-H516 WeakPolarHBondContact CB-NE2 3.32Å; F473-H516 HydrophobicContact CE2-CB 4.11Å; F473-H516 AromaticContact CE2-CD2 3.8Å; F473-H516 HydrophobicContact CZ-CB 3.89Å; F473-H516 AromaticContact CZ-CD2 3.99Å; S476-H516 VanDerWaalsContact C-NE2 3.26Å; S476-H516 VanDerWaalsContact CB-NE2 3.34Å; S476-H516 WeakPolarHBondContact CB-NE2 3.41Å; S476-H516 PolarHBondContact O-NE2 3.31Å; S476-H516 PolarHBondContact OG-NE2 3.17Å; I477-H516 VanDerWaalsContact CG1-CD2 3.47Å; I477-H516 WeakPolarHBondContact CG1-CD2 3.15Å; I477-H516 WeakPolarHBondContact CG1-NE2 3.22Å; I477-H516 PolarHBondContact N-NE2 3.25Å; V512-H516 PolarHBondContact O-N 3.22Å; V512-H516 PolarHBondContact O-ND1 2.67Å; A513-H516 PolarHBondContact O-N 3.38Å; S514-H516 VanDerWaalsContact C-N 3.34Å; H516-A518 PolarHBondContact O-N 2.96Å; H516-T519 VanDerWaalsContact O-CB 3.26Å; H516-T519 WeakPolarHBondContact O-CB 3.46Å; H516-T519 PolarHBondContact O-N 3.19Å; H516-T519 PolarHBondContact O-OG1 3.44Å
517	L	95	Very high	94.6	Very high	49 Å²	49	61 Å²	61	26%	0.257	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-59.5	-27.6	-177.8	-76.3	173.7	0	0	0	114.3	A513 T519 F520 A522 L524	A513-L517 WeakPolarHBondContact O-CG 3.29Å; A513-L517 PolarHBondContact O-N 3.05Å; L517-T519 PolarHBondContact O-N 3.13Å; L517-F520 PolarHBondContact O-N 3.05Å; L517-A522 HydrophobicContact CB-CB 4.14Å; L517-A522 HydrophobicContact CD2-CB 3.91Å; L517-A522 PolarHBondContact O-N 2.97Å; L517-L524 HydrophobicContact CD1-CD1 3.73Å; L517-L524 HydrophobicContact CD1-CD2 3.69Å; L517-L524 HydrophobicContact CD1-CG 3.72Å
518	A	90.1	Very high	94.9	Very high	84 Å²	84	63.3 Å²	63.3	69%	0.694	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-59.8	-25.1	174.2	0	0	0	0	0	113.3	H516 F520 D521	H516-A518 PolarHBondContact O-N 2.96Å; A518-F520 PolarHBondContact O-N 3.02Å; A518-D521 PolarHBondContact O-N 2.74Å
519	T	91.6	Very high	95	Very high	67 Å²	67	68.6 Å²	68.6	41%	0.411	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-68	-19.7	176.5	-44.7	0	0	0	0	112.6	S148 F473 H516 L517	S148-T519 PolarHBondContact OG-OG1 3.34Å; F473-T519 HydrophobicContact CD2-CG2 4.19Å; F473-T519 HydrophobicContact CE2-CG2 4.04Å; H516-T519 VanDerWaalsContact O-CB 3.26Å; H516-T519 WeakPolarHBondContact O-CB 3.46Å; H516-T519 PolarHBondContact O-N 3.19Å; H516-T519 PolarHBondContact O-OG1 3.44Å; L517-T519 PolarHBondContact O-N 3.13Å
520	F	93.8	Very high	95.3	Very high	126 Å²	126	75.9 Å²	75.9	55%	0.553	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-111.8	12.3	-177.8	-54.8	-60.8	0	0	0	113.5	F473 L517 A518 A522	F473-F520 HydrophobicContact CD1-CZ 4.47Å; F473-F520 HydrophobicContact CE1-CE2 4.04Å; F473-F520 AromaticContact CE1-CZ 3.73Å; F473-F520 HydrophobicContact CE1-CZ 3.73Å; F473-F520 HydrophobicContact CE2-CE2 4.08Å; F473-F520 AromaticContact CE2-CZ 3.94Å; F473-F520 HydrophobicContact CE2-CZ 3.94Å; F473-F520 AromaticContact CZ-CE2 3.42Å; F473-F520 HydrophobicContact CZ-CE2 3.42Å; F473-F520 VanDerWaalsContact CZ-CE2 3.42Å; F473-F520 AromaticContact CZ-CZ 3.42Å; F473-F520 HydrophobicContact CZ-CZ 3.42Å; F473-F520 VanDerWaalsContact CZ-CZ 3.42Å; L517-F520 PolarHBondContact O-N 3.05Å; A518-F520 PolarHBondContact O-N 3.02Å; F520-A522 HydrophobicContact CB-CB 4.32Å; F520-A522 PolarHBondContact O-N 3.15Å; F520-A522 VanDerWaalsContact O-N 3.17Å
521	D	94.4	Very high	95.4	Very high	124 Å²	124	78.6 Å²	78.6	66%	0.663	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	31.5	-170.9	-156.5	25	0	0	0	113.1	A518 H523	A518-D521 PolarHBondContact O-N 2.74Å; D521-H523 PolarHBondContact O-CE1 3.1Å; D521-H523 PolarHBondContact O-N 2.81Å; D521-H523 PolarHBondContact O-ND1 3.06Å; D521-H523 IonicContact OD1-CE1 3.32Å; D521-H523 PolarHBondContact OD1-CE1 2.94Å; D521-H523 VanDerWaalsContact OD1-CE1 3.31Å
522	A	96	Very high	95.5	Very high	42 Å²	42	78.5 Å²	78.5	35%	0.347	43%	0.431	S	S	.	.			trans	-86.9	108.3	-170.8	0	0	0	0	0	111.8	L517 F520	L517-A522 HydrophobicContact CB-CB 4.14Å; L517-A522 HydrophobicContact CD2-CB 3.91Å; L517-A522 PolarHBondContact O-N 2.97Å; F520-A522 HydrophobicContact CB-CB 4.32Å; F520-A522 PolarHBondContact O-N 3.15Å; F520-A522 VanDerWaalsContact O-N 3.17Å
523	H	94.6	Very high	95.6	Very high	161 Å²	161	87.2 Å²	87.2	75%	0.745	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-84.9	118	176.4	-46.5	-33.2	0	0	0	111	D521	D521-H523 PolarHBondContact O-CE1 3.1Å; D521-H523 PolarHBondContact O-N 2.81Å; D521-H523 PolarHBondContact O-ND1 3.06Å; D521-H523 IonicContact OD1-CE1 3.32Å; D521-H523 PolarHBondContact OD1-CE1 2.94Å; D521-H523 VanDerWaalsContact OD1-CE1 3.31Å
524	L	95.9	Very high	95.7	Very high	124 Å²	124	94.9 Å²	94.9	65%	0.649	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-79	139.8	175.4	-72.4	179.2	0	0	0	111.8	L517	L517-L524 HydrophobicContact CD1-CD1 3.73Å; L517-L524 HydrophobicContact CD1-CD2 3.69Å; L517-L524 HydrophobicContact CD1-CG 3.72Å
525	T	96.9	Very high	95.7	Very high	138 Å²	138	97.6 Å²	97.6	85%	0.847	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-77.3	124.7	169.5	-50.6	0	0	0	0	110.6
526	E	96.1	Very high	95.8	Very high	156 Å²	156	100.3 Å²	100.3	73%	0.729	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-82.6	148.2	172.4	-63	-174.2	-176.2	0	0	112
527	L	95.1	Very high	95.7	Very high	40 Å²	40	103.1 Å²	103.1	21%	0.209	55%	0.547	C	S	.	.	P	Polyproline II helix	trans	-79.9	134.4	175.8	-65.3	177.1	0	0	0	111.3	Q531 A532 L535 K539 F543	L527-Q531 HydrophobicContact CB-CB 4.43Å; L527-Q531 HydrophobicContact CD2-CB 4.19Å; L527-A532 HydrophobicContact CB-CB 4.41Å; L527-L535 HydrophobicContact CD2-CD1 4.49Å; L527-K539 HydrophobicContact CB-CG 4.42Å; L527-K539 WeakPolarHBondContact O-CD 3.43Å; L527-K539 WeakPolarHBondContact O-CE 3.41Å; L527-F543 HydrophobicContact CD1-CD1 4.42Å; L527-F543 HydrophobicContact CD1-CE1 4.16Å
528	T	97.5	Very high	95.7	Very high	66 Å²	66	103.8 Å²	103.8	41%	0.405	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-68.5	159.9	166	74.9	0	0	0	0	110.8	E530 Q531 A532	T528-E530 PolarHBondContact O-N 3.37Å; T528-Q531 PolarHBondContact O-N 2.99Å; T528-Q531 VanDerWaalsContact O-N 3.16Å; T528-Q531 WeakPolarHBondContact OG1-CG 3.2Å; T528-Q531 PolarHBondContact OG1-N 3.31Å; T528-A532 WeakPolarHBondContact O-CB 3.18Å; T528-A532 PolarHBondContact O-N 3.42Å
529	D	97.8	Very high	95.9	Very high	115 Å²	115	103.3 Å²	103.3	62%	0.615	53%	0.533	S	S	*	.	H	α-helix	trans	-60	-33.8	177.5	-60.2	-84.3	0	0	0	112.3	K533 K539	D529-K533 WeakPolarHBondContact O-CB 3.22Å; D529-K533 PolarHBondContact O-N 3.45Å; D529-K539 WeakPolarHBondContact OD1-CE 3.49Å; D529-K539 IonicContact OD1-NZ 2.72Å; D529-K539 PolarHBondContact OD1-NZ 3.02Å; D529-K539 WeakPolarHBondContact OD2-CE 3.13Å; D529-K539 IonicContact OD2-NZ 2.73Å; D529-K539 PolarHBondContact OD2-NZ 3.2Å
530	E	98.2	Very high	96	Very high	161 Å²	161	103.3 Å²	103.3	75%	0.752	53%	0.531	S	S	*	.	H	α-helix	trans	-67.7	-43.4	175.1	-59.4	-172.1	153.1	0	0	111.9	T528 Y534	T528-E530 PolarHBondContact O-N 3.37Å; E530-Y534 WeakPolarHBondContact O-CB 3.32Å; E530-Y534 PolarHBondContact O-N 2.97Å
531	Q	98.1	Very high	96	Very high	91 Å²	91	97.3 Å²	97.3	43%	0.425	51%	0.505	S	S	.	.	H	α-helix	trans	-65.9	-45.6	176.5	-71.1	167.8	-13	0	0	111.8	L527 T528 K533 Y534 L535	L527-Q531 HydrophobicContact CB-CB 4.43Å; L527-Q531 HydrophobicContact CD2-CB 4.19Å; T528-Q531 PolarHBondContact O-N 2.99Å; T528-Q531 VanDerWaalsContact O-N 3.16Å; T528-Q531 WeakPolarHBondContact OG1-CG 3.2Å; T528-Q531 PolarHBondContact OG1-N 3.31Å; Q531-K533 PolarHBondContact O-N 2.98Å; Q531-Y534 PolarHBondContact O-N 3.49Å; Q531-L535 WeakPolarHBondContact O-CB 3.38Å; Q531-L535 WeakPolarHBondContact O-CG 3.22Å; Q531-L535 PolarHBondContact O-N 3.47Å
532	A	97.5	Very high	96	Very high	9 Å²	9	94.2 Å²	94.2	7%	0.074	49%	0.492	C	S	.	.	H	α-helix	trans	-59.9	-45.9	176.9	0	0	0	0	0	111.2	L527 T528 L535 G536 L537 K539	L527-A532 HydrophobicContact CB-CB 4.41Å; T528-A532 WeakPolarHBondContact O-CB 3.18Å; T528-A532 PolarHBondContact O-N 3.42Å; A532-L535 PolarHBondContact O-N 3.48Å; A532-G536 PolarHBondContact O-N 2.96Å; A532-L537 PolarHBondContact O-N 2.85Å; A532-K539 HydrophobicContact CB-CG 3.85Å
533	K	97.3	Very high	96.1	Very high	183 Å²	183	96 Å²	96	80%	0.796	49%	0.492	S	S	*	.	H	α-helix	trans	-64.5	-39.3	175.4	-177.4	179.8	176.7	-175.8	0	113	D529 Q531 G536	D529-K533 WeakPolarHBondContact O-CB 3.22Å; D529-K533 PolarHBondContact O-N 3.45Å; Q531-K533 PolarHBondContact O-N 2.98Å; K533-G536 PolarHBondContact O-N 3.29Å
534	Y	97.6	Very high	96.1	Very high	201 Å²	201	92.1 Å²	92.1	79%	0.788	47%	0.473	S	S	*	.	H	α-helix	trans	-66.4	-41.7	177.7	176.3	-97	0	0	0	112.3	E530 Q531 G536	E530-Y534 WeakPolarHBondContact O-CB 3.32Å; E530-Y534 PolarHBondContact O-N 2.97Å; Q531-Y534 PolarHBondContact O-N 3.49Å; Y534-G536 VanDerWaalsContact C-N 3.34Å
535	L	96.3	Very high	95.9	Very high	97 Å²	97	88.8 Å²	88.8	51%	0.508	46%	0.458	S	S	.	.	H	α-helix	trans	-79.4	-15	178	-64.7	175.3	0	0	0	113.6	L527 Q531 A532 L537	L527-L535 HydrophobicContact CD2-CD1 4.49Å; Q531-L535 WeakPolarHBondContact O-CB 3.38Å; Q531-L535 WeakPolarHBondContact O-CG 3.22Å; Q531-L535 PolarHBondContact O-N 3.47Å; A532-L535 PolarHBondContact O-N 3.48Å; L535-L537 HydrophobicContact CB-CB 4.44Å; L535-L537 HydrophobicContact CB-CD1 4.02Å; L535-L537 HydrophobicContact CB-CG 4Å; L535-L537 HydrophobicContact CD1-CD1 4.33Å
536	G	95.9	Very high	95.5	Very high	67 Å²	67	88.8 Å²	88.8	69%	0.691	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	30.4	-174.1	0	0	0	0	0	113.5	A532 K533 Y534	A532-G536 PolarHBondContact O-N 2.96Å; K533-G536 PolarHBondContact O-N 3.29Å; Y534-G536 VanDerWaalsContact C-N 3.34Å
537	L	94.9	Very high	95.1	Very high	64 Å²	64	90.4 Å²	90.4	34%	0.335	45%	0.454	S	S	.	.			trans	-116.9	152	-175.1	-61.9	178	0	0	0	111.9	A532 L535	A532-L537 PolarHBondContact O-N 2.85Å; L535-L537 HydrophobicContact CB-CB 4.44Å; L535-L537 HydrophobicContact CB-CD1 4.02Å; L535-L537 HydrophobicContact CB-CG 4Å; L535-L537 HydrophobicContact CD1-CD1 4.33Å
538	N	95.1	Very high	95	Very high	63 Å²	63	93.5 Å²	93.5	34%	0.337	46%	0.463	S	S	.	.			trans	-71.4	137.6	165.1	-176.4	-24.4	0	0	0	108.8	N540 G541	N538-N540 PolarHBondContact O-N 2.9Å; N538-N540 VanDerWaalsContact O-N 3.15Å; N538-N540 PolarHBondContact OD1-N 2.89Å; N538-G541 PolarHBondContact O-N 2.95Å
539	K	94.4	Very high	94.5	Very high	74 Å²	74	100.3 Å²	100.3	32%	0.322	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-32.4	175.2	-74.9	-171	178.1	-178.7	0	112.9	L527 D529 A532 G541 F543	L527-K539 HydrophobicContact CB-CG 4.42Å; L527-K539 WeakPolarHBondContact O-CD 3.43Å; L527-K539 WeakPolarHBondContact O-CE 3.41Å; D529-K539 WeakPolarHBondContact OD1-CE 3.49Å; D529-K539 IonicContact OD1-NZ 2.72Å; D529-K539 PolarHBondContact OD1-NZ 3.02Å; D529-K539 WeakPolarHBondContact OD2-CE 3.13Å; D529-K539 IonicContact OD2-NZ 2.73Å; D529-K539 PolarHBondContact OD2-NZ 3.2Å; A532-K539 HydrophobicContact CB-CG 3.85Å; K539-G541 VanDerWaalsContact C-N 3.34Å; K539-F543 WeakPolarHBondContact O-CE1 3.44Å; K539-F543 WeakPolarHBondContact O-CZ 3.14Å
540	N	92.4	Very high	94.1	Very high	67 Å²	67	100.7 Å²	100.7	36%	0.358	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	21.2	-177.6	-59.6	-17.7	0	0	0	112.6	K507 N538	K507-N540 WeakPolarHBondContact CE-O 3.11Å; N538-N540 PolarHBondContact O-N 2.9Å; N538-N540 VanDerWaalsContact O-N 3.15Å; N538-N540 PolarHBondContact OD1-N 2.89Å
541	G	93.8	Very high	93.9	Very high	0 Å²	0	97.7 Å²	97.7	0%	0	46%	0.462	C	S	.	.	S	Bend	trans	70.6	178.7	179.2	0	0	0	0	0	115.1	K507 N538 K539	K507-G541 PolarHBondContact NZ-O 3.12Å; K507-G541 VanDerWaalsContact NZ-O 3.13Å; N538-G541 PolarHBondContact O-N 2.95Å; K539-G541 VanDerWaalsContact C-N 3.34Å
542	P	95.4	Very high	93.7	Very high	60 Å²	60	98.1 Å²	98.1	39%	0.39	46%	0.464	S	S	.	.			cis	-70.7	139.9	10.4	27.5	-35	0	0	0	114.2	K506 E510	K506-P542 HydrophobicContact CB-CB 4.29Å; K506-P542 HydrophobicContact CD-CB 4.16Å; K506-P542 HydrophobicContact CG-CB 4.16Å; E510-P542 VanDerWaalsContact OE2-CA 3.26Å; E510-P542 WeakPolarHBondContact OE2-CA 3.05Å
543	F	96.2	Very high	93.5	Very high	80 Å²	80	103 Å²	103	35%	0.351	49%	0.485	S	S	.	.			trans	-88.7	-6.1	-172.5	-62.7	-69.8	0	0	0	114.9	E510 L527 K539	E510-F543 PolarHBondContact OE1-N 3.28Å; E510-F543 VanDerWaalsContact OE2-CD2 3.29Å; E510-F543 WeakPolarHBondContact OE2-CD2 3.38Å; E510-F543 PolarHBondContact OE2-N 2.72Å; L527-F543 HydrophobicContact CD1-CD1 4.42Å; L527-F543 HydrophobicContact CD1-CE1 4.16Å; K539-F543 WeakPolarHBondContact O-CE1 3.44Å; K539-F543 WeakPolarHBondContact O-CZ 3.14Å
544	K	95.9	Very high	93.2	Very high	79 Å²	79	98.3 Å²	98.3	34%	0.343	47%	0.467	S	S	.	.	S	Bend	trans	-141.1	151.1	177.4	-61.2	-66.8	165.4	-65.2	0	110.6	K506 Y548 Y550	K506-K544 HydrophobicContact CD-CB 4.27Å; K506-K544 WeakPolarHBondContact CD-O 3.32Å; K506-K544 WeakPolarHBondContact CE-O 3.3Å; K544-Y548 HydrophobicContact CB-CD1 3.88Å; K544-Y548 HydrophobicContact CB-CG 4.01Å; K544-Y548 HydrophobicContact CD-CD1 3.78Å; K544-Y548 HydrophobicContact CD-CD2 4.19Å; K544-Y548 HydrophobicContact CD-CE1 3.79Å; K544-Y548 HydrophobicContact CD-CE2 4.22Å; K544-Y548 HydrophobicContact CD-CG 3.98Å; K544-Y548 HydrophobicContact CG-CD1 3.62Å; K544-Y548 HydrophobicContact CG-CE1 3.92Å; K544-Y548 HydrophobicContact CG-CG 4.1Å; K544-Y550 HydrophobicContact CG-CE1 4.3Å
545	P	92.5	Very high	93	Very high	54 Å²	54	91.9 Å²	91.9	35%	0.351	45%	0.447	S	S	.	.			trans	-70.6	159.9	171.6	31.1	-35.3	0	0	0	111.4	Y547 Y548	P545-Y547 HydrophobicContact CB-CD1 3.91Å; P545-Y547 HydrophobicContact CB-CE1 3.51Å; P545-Y547 HydrophobicContact CB-CE2 4.28Å; P545-Y547 HydrophobicContact CB-CG 4.45Å; P545-Y547 HydrophobicContact CG-CD1 4.27Å; P545-Y547 HydrophobicContact CG-CD2 4.12Å; P545-Y547 HydrophobicContact CG-CE1 3.78Å; P545-Y547 HydrophobicContact CG-CE2 3.6Å; P545-Y547 HydrophobicContact CG-CG 4.43Å; P545-Y547 VanDerWaalsContact CG-CZ 3.41Å; P545-Y547 PolarHBondContact O-N 3.16Å; P545-Y547 VanDerWaalsContact O-N 3.14Å; P545-Y548 WeakPolarHBondContact O-CB 3.5Å; P545-Y548 PolarHBondContact O-N 3.19Å
546	N	87.3	Confident	92.7	Very high	137 Å²	137	91.5 Å²	91.5	73%	0.733	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.7	-175.9	-69.9	-9.4	0	0	0	114.4	Y548	N546-Y548 VanDerWaalsContact C-N 3.32Å
547	Y	88.4	Confident	92.5	Very high	191 Å²	191	93.3 Å²	93.3	75%	0.749	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-1.9	177.6	59.7	-103.8	0	0	0	114.5	P545	P545-Y547 HydrophobicContact CB-CD1 3.91Å; P545-Y547 HydrophobicContact CB-CE1 3.51Å; P545-Y547 HydrophobicContact CB-CE2 4.28Å; P545-Y547 HydrophobicContact CB-CG 4.45Å; P545-Y547 HydrophobicContact CG-CD1 4.27Å; P545-Y547 HydrophobicContact CG-CD2 4.12Å; P545-Y547 HydrophobicContact CG-CE1 3.78Å; P545-Y547 HydrophobicContact CG-CE2 3.6Å; P545-Y547 HydrophobicContact CG-CG 4.43Å; P545-Y547 VanDerWaalsContact CG-CZ 3.41Å; P545-Y547 PolarHBondContact O-N 3.16Å; P545-Y547 VanDerWaalsContact O-N 3.14Å
548	Y	92.9	Very high	92.3	Very high	104 Å²	104	95.5 Å²	95.5	41%	0.408	43%	0.432	S	S	.	.			trans	-79.1	130.6	-179.5	-173.2	-97.3	0	0	0	111.5	K544 P545 N546 Y550	K544-Y548 HydrophobicContact CB-CD1 3.88Å; K544-Y548 HydrophobicContact CB-CG 4.01Å; K544-Y548 HydrophobicContact CD-CD1 3.78Å; K544-Y548 HydrophobicContact CD-CD2 4.19Å; K544-Y548 HydrophobicContact CD-CE1 3.79Å; K544-Y548 HydrophobicContact CD-CE2 4.22Å; K544-Y548 HydrophobicContact CD-CG 3.98Å; K544-Y548 HydrophobicContact CG-CD1 3.62Å; K544-Y548 HydrophobicContact CG-CE1 3.92Å; K544-Y548 HydrophobicContact CG-CG 4.1Å; P545-Y548 WeakPolarHBondContact O-CB 3.5Å; P545-Y548 PolarHBondContact O-N 3.19Å; N546-Y548 VanDerWaalsContact C-N 3.32Å; Y548-Y550 HydrophobicContact CD1-CD1 4.15Å; Y548-Y550 AromaticContact CD1-CD2 3.57Å; Y548-Y550 HydrophobicContact CD1-CD2 3.57Å; Y548-Y550 HydrophobicContact CD1-CE1 4.17Å; Y548-Y550 AromaticContact CD1-CE2 3.56Å; Y548-Y550 HydrophobicContact CD1-CE2 3.56Å; Y548-Y550 AromaticContact CD1-CG 3.87Å; Y548-Y550 HydrophobicContact CD1-CG 3.87Å; Y548-Y550 AromaticContact CD1-CZ 3.89Å; Y548-Y550 AromaticContact CE1-CD1 3.83Å; Y548-Y550 HydrophobicContact CE1-CD1 3.83Å; Y548-Y550 AromaticContact CE1-CD2 3.99Å; Y548-Y550 HydrophobicContact CE1-CD2 3.99Å; Y548-Y550 HydrophobicContact CE1-CE1 4.12Å; Y548-Y550 HydrophobicContact CE1-CE2 4.23Å; Y548-Y550 AromaticContact CE1-CG 3.77Å; Y548-Y550 HydrophobicContact CE1-CG 3.77Å
549	R	86.4	Confident	92.1	Very high	209 Å²	209	98.3 Å²	98.3	79%	0.789	44%	0.44	S	S	*	.			trans	-103.3	-3.6	-163.7	-62.2	-176.1	179.8	175.1	-2.4	116.4
550	Y	89.4	Confident	91.9	Very high	124 Å²	124	100.5 Å²	100.5	49%	0.486	45%	0.451	S	S	.	.			trans	52.9	0	-178.4	-57.9	-107.3	0	0	0	112.5	V302 K306 K506 K544 Y548	V302-Y550 HydrophobicContact CB-CD2 4.26Å; V302-Y550 HydrophobicContact CB-CE2 4.3Å; V302-Y550 HydrophobicContact CG1-CD1 4.16Å; V302-Y550 HydrophobicContact CG1-CD2 3.49Å; V302-Y550 VanDerWaalsContact CG1-CD2 3.49Å; V302-Y550 HydrophobicContact CG1-CE2 3.94Å; V302-Y550 HydrophobicContact CG1-CG 3.62Å; V302-Y550 HydrophobicContact CG2-CD2 3.79Å; V302-Y550 HydrophobicContact CG2-CE2 3.65Å; K306-Y550 VanDerWaalsContact CE-O 3.29Å; K306-Y550 WeakPolarHBondContact CE-O 3.46Å; K306-Y550 PolarHBondContact NZ-O 2.73Å; K506-Y550 PolarHBondContact NZ-OH 2.65Å; K506-Y550 VanDerWaalsContact NZ-OH 3.13Å; K544-Y550 HydrophobicContact CG-CE1 4.3Å; Y548-Y550 HydrophobicContact CD1-CD1 4.15Å; Y548-Y550 AromaticContact CD1-CD2 3.57Å; Y548-Y550 HydrophobicContact CD1-CD2 3.57Å; Y548-Y550 HydrophobicContact CD1-CE1 4.17Å; Y548-Y550 AromaticContact CD1-CE2 3.56Å; Y548-Y550 HydrophobicContact CD1-CE2 3.56Å; Y548-Y550 AromaticContact CD1-CG 3.87Å; Y548-Y550 HydrophobicContact CD1-CG 3.87Å; Y548-Y550 AromaticContact CD1-CZ 3.89Å; Y548-Y550 AromaticContact CE1-CD1 3.83Å; Y548-Y550 HydrophobicContact CE1-CD1 3.83Å; Y548-Y550 AromaticContact CE1-CD2 3.99Å; Y548-Y550 HydrophobicContact CE1-CD2 3.99Å; Y548-Y550 HydrophobicContact CE1-CE1 4.12Å; Y548-Y550 HydrophobicContact CE1-CE2 4.23Å; Y548-Y550 AromaticContact CE1-CG 3.77Å; Y548-Y550 HydrophobicContact CE1-CG 3.77Å

Retrieved 550 of 550 residues in 287 ms (Link to these results)

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