A0A077ZC30_TRITR Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A077ZC30, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 697 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	43.4	Very low	44	Very low	199 Å²	199	144.2 Å²	144.2	98%	0.98	68%	0.678	S	S	*	*				0	-63.8	0	-77.9	-165.4	-89.4	0	0	115.1	K3 Q4 K5	M1-K3 PolarHBondContact O-N 3.2Å; M1-Q4 PolarHBondContact O-N 3.38Å; M1-Q4 VanDerWaalsContact O-N 3.14Å; M1-K5 PolarHBondContact O-N 3.33Å
2	K	38.8	Very low	44.2	Very low	187 Å²	187	135 Å²	135	81%	0.813	65%	0.651	S	S	*	*	H	α-helix	trans	-59.6	-39.8	-179.1	-97.9	-179	176.9	177.1	0	114.6	Q4 N6	K2-Q4 VanDerWaalsContact C-N 3.29Å; K2-Q4 PolarHBondContact O-N 3.27Å; K2-N6 PolarHBondContact O-N 3.15Å
3	K	41.2	Very low	44.5	Very low	188 Å²	188	129 Å²	129	82%	0.817	64%	0.637	S	S	*	*	H	α-helix	trans	-63.2	-32.3	175.1	-81.9	-175.2	173.6	-179.5	0	113.3	M1 M7	M1-K3 PolarHBondContact O-N 3.2Å; K3-M7 PolarHBondContact O-N 3.24Å
4	Q	45	Very low	44.9	Very low	120 Å²	120	128.7 Å²	128.7	56%	0.561	64%	0.639	S	S	*	*	H	α-helix	trans	-75.9	-43.2	-178	-148.7	158.5	3.1	0	0	111	M1 K2 N6 M7 E8	M1-Q4 PolarHBondContact O-N 3.38Å; M1-Q4 VanDerWaalsContact O-N 3.14Å; K2-Q4 VanDerWaalsContact C-N 3.29Å; K2-Q4 PolarHBondContact O-N 3.27Å; Q4-N6 VanDerWaalsContact C-N 3.29Å; Q4-N6 PolarHBondContact O-N 3.33Å; Q4-M7 PolarHBondContact O-N 3.33Å; Q4-E8 PolarHBondContact O-N 3.37Å; Q4-E8 VanDerWaalsContact O-N 3.12Å
5	K	45.1	Very low	45.3	Very low	150 Å²	150	129.3 Å²	129.3	65%	0.652	64%	0.639	S	S	*	*	H	α-helix	trans	-60.3	-34.6	172	-82.2	-172.4	172.3	-178.4	0	113.4	M1 K9	M1-K5 PolarHBondContact O-N 3.33Å; K5-K9 PolarHBondContact O-N 2.92Å; K5-K9 VanDerWaalsContact O-N 3.16Å
6	N	42.7	Very low	45.5	Very low	117 Å²	117	131.8 Å²	131.8	63%	0.626	65%	0.645	S	S	*	*	H	α-helix	trans	-73.7	-34.4	177.8	-80.5	1.5	0	0	0	112.9	K2 Q4 S10	K2-N6 PolarHBondContact O-N 3.15Å; Q4-N6 VanDerWaalsContact C-N 3.29Å; Q4-N6 PolarHBondContact O-N 3.33Å; N6-S10 PolarHBondContact O-N 3.41Å; N6-S10 VanDerWaalsContact O-N 3.13Å
7	M	41	Very low	46	Very low	114 Å²	114	128.2 Å²	128.2	56%	0.562	64%	0.641	S	S	*	*	H	α-helix	trans	-67.2	-39.9	173.1	-83.1	-169.1	-57.2	0	0	112.5	K3 Q4 S10 K11	K3-M7 PolarHBondContact O-N 3.24Å; Q4-M7 PolarHBondContact O-N 3.33Å; M7-S10 PolarHBondContact O-N 3.36Å; M7-S10 PolarHBondContact O-OG 3.17Å; M7-K11 PolarHBondContact O-N 3.3Å
8	E	47.9	Very low	46.6	Very low	127 Å²	127	124.2 Å²	124.2	59%	0.593	63%	0.632	S	S	*	*	H	α-helix	trans	-66.8	-40.3	178.1	-74.7	171	178.9	0	0	111.8	Q4 S10 K11 G12	Q4-E8 PolarHBondContact O-N 3.37Å; Q4-E8 VanDerWaalsContact O-N 3.12Å; E8-S10 PolarHBondContact O-N 3.11Å; E8-K11 PolarHBondContact O-N 3.25Å; E8-G12 PolarHBondContact O-N 2.69Å
9	K	44.7	Very low	46.9	Very low	164 Å²	164	120.3 Å²	120.3	71%	0.713	61%	0.613	S	S	*	*	H	α-helix	trans	-64.4	-38.2	174.7	-79.1	-172.1	176	-172.9	0	112.9	K5 A13	K5-K9 PolarHBondContact O-N 2.92Å; K5-K9 VanDerWaalsContact O-N 3.16Å; K9-A13 WeakPolarHBondContact O-CB 3.1Å; K9-A13 PolarHBondContact O-N 3Å; K9-A13 VanDerWaalsContact O-N 3.11Å
10	S	45	Very low	46.8	Very low	69 Å²	69	123.8 Å²	123.8	48%	0.483	62%	0.623	S	S	.	*	H	α-helix	trans	-72	-36.4	178.3	85.7	0	0	0	0	112.4	N6 M7 E8 A13 N14	N6-S10 PolarHBondContact O-N 3.41Å; N6-S10 VanDerWaalsContact O-N 3.13Å; M7-S10 PolarHBondContact O-N 3.36Å; M7-S10 PolarHBondContact O-OG 3.17Å; E8-S10 PolarHBondContact O-N 3.11Å; S10-A13 PolarHBondContact O-N 3.48Å; S10-N14 PolarHBondContact O-N 3.11Å; S10-N14 VanDerWaalsContact O-N 3.07Å
11	K	49.1	Very low	47.2	Very low	151 Å²	151	121.6 Å²	121.6	66%	0.657	63%	0.632	S	S	*	*	H	α-helix	trans	-62.3	-47.7	173.1	-78.2	-175.1	175	-176.6	0	111.8	M7 E8 A13 N14 E15	M7-K11 PolarHBondContact O-N 3.3Å; E8-K11 PolarHBondContact O-N 3.25Å; K11-A13 VanDerWaalsContact C-N 3.31Å; K11-A13 PolarHBondContact O-N 2.94Å; K11-N14 PolarHBondContact O-N 3.25Å; K11-E15 PolarHBondContact O-N 3.39Å; K11-E15 VanDerWaalsContact O-N 3.09Å
12	G	46.6	Very low	47.8	Very low	34 Å²	34	115.1 Å²	115.1	35%	0.351	60%	0.601	S	S	.	*	H	α-helix	trans	-65.8	-30.4	179.2	0	0	0	0	0	113.9	E8 K16	E8-G12 PolarHBondContact O-N 2.69Å; G12-K16 WeakPolarHBondContact O-CG 3.45Å; G12-K16 PolarHBondContact O-N 2.92Å
13	A	47.4	Very low	49.6	Very low	57 Å²	57	110.1 Å²	110.1	47%	0.471	59%	0.586	S	S	.	*	H	α-helix	trans	-73.2	-42	175.3	0	0	0	0	0	112.3	K9 S10 K11 K16 A17	K9-A13 WeakPolarHBondContact O-CB 3.1Å; K9-A13 PolarHBondContact O-N 3Å; K9-A13 VanDerWaalsContact O-N 3.11Å; S10-A13 PolarHBondContact O-N 3.48Å; K11-A13 VanDerWaalsContact C-N 3.31Å; K11-A13 PolarHBondContact O-N 2.94Å; A13-K16 PolarHBondContact O-N 3.01Å; A13-A17 PolarHBondContact O-N 3.23Å
14	N	50.6	Low	50.9	Low	125 Å²	125	107.2 Å²	107.2	67%	0.668	58%	0.579	S	S	*	*	H	α-helix	trans	-66.1	-38.4	177.7	-92	1	0	0	0	112.5	S10 K11 A17 A18	S10-N14 PolarHBondContact O-N 3.11Å; S10-N14 VanDerWaalsContact O-N 3.07Å; K11-N14 PolarHBondContact O-N 3.25Å; N14-A17 PolarHBondContact O-N 3.25Å; N14-A18 WeakPolarHBondContact O-CB 3.33Å; N14-A18 PolarHBondContact O-N 2.92Å
15	E	50.4	Low	52.1	Low	137 Å²	137	108.9 Å²	108.9	64%	0.64	59%	0.587	S	S	*	*	H	α-helix	trans	-67.6	-38	175.4	-79.6	-178.1	162	0	0	112.6	K11 A18 N19	K11-E15 PolarHBondContact O-N 3.39Å; K11-E15 VanDerWaalsContact O-N 3.09Å; E15-A18 PolarHBondContact O-N 2.81Å; E15-N19 WeakPolarHBondContact O-CB 3.46Å; E15-N19 PolarHBondContact O-N 3.01Å; E15-N19 VanDerWaalsContact O-N 3.15Å
16	K	48.7	Very low	53.5	Low	170 Å²	170	106.2 Å²	106.2	74%	0.739	58%	0.577	S	S	*	*	H	α-helix	trans	-68.4	-34.6	176.8	-79.3	-175.2	177.8	-176.8	0	112.9	G12 A13	G12-K16 WeakPolarHBondContact O-CG 3.45Å; G12-K16 PolarHBondContact O-N 2.92Å; A13-K16 PolarHBondContact O-N 3.01Å
17	A	53.8	Low	54.9	Low	70 Å²	70	105.1 Å²	105.1	58%	0.579	56%	0.564	S	S	*	*	H	α-helix	trans	-71	-41.9	174.4	0	0	0	0	0	111.7	A13 N14 N19	A13-A17 PolarHBondContact O-N 3.23Å; N14-A17 PolarHBondContact O-N 3.25Å; A17-N19 VanDerWaalsContact C-N 3.27Å; A17-N19 PolarHBondContact O-N 3.36Å
18	A	57	Low	56.3	Low	56 Å²	56	106.6 Å²	106.6	46%	0.463	57%	0.567	S	S	.	*	H	α-helix	trans	-69.2	-21	-179.4	0	0	0	0	0	113.9	N14 E15 L22	N14-A18 WeakPolarHBondContact O-CB 3.33Å; N14-A18 PolarHBondContact O-N 2.92Å; E15-A18 PolarHBondContact O-N 2.81Å; A18-L22 WeakPolarHBondContact O-CD1 3.05Å
19	N	52.1	Low	57.5	Low	51 Å²	51	106.9 Å²	106.9	27%	0.273	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.8	-5.2	-176.8	-81.6	-10.6	0	0	0	115	E15 A17 G21 R27 R30	E15-N19 WeakPolarHBondContact O-CB 3.46Å; E15-N19 PolarHBondContact O-N 3.01Å; E15-N19 VanDerWaalsContact O-N 3.15Å; A17-N19 VanDerWaalsContact C-N 3.27Å; A17-N19 PolarHBondContact O-N 3.36Å; N19-G21 PolarHBondContact O-N 2.81Å; N19-R27 PolarHBondContact O-NH2 3.06Å; N19-R30 PolarHBondContact OD1-NH1 3.31Å
20	K	46.1	Very low	59.1	Low	189 Å²	189	103.3 Å²	103.3	82%	0.822	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	111.9	175.1	-90	-173.3	173.2	-176.6	0	110
21	G	55.2	Low	60.4	Low	78 Å²	78	103.6 Å²	103.6	80%	0.804	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.3	-4.6	170.4	0	0	0	0	0	116.4	N19	N19-G21 PolarHBondContact O-N 2.81Å
22	L	55.2	Low	61.4	Low	64 Å²	64	98.7 Å²	98.7	34%	0.335	53%	0.534	S	S	.	.			trans	-90.3	131.5	178	-68.8	165.1	0	0	0	111.8	A18 Q26 R27	A18-L22 WeakPolarHBondContact O-CD1 3.05Å; L22-Q26 HydrophobicContact CB-CB 4.32Å; L22-Q26 HydrophobicContact CD2-CB 3.88Å; L22-Q26 HydrophobicContact CD2-CG 4.43Å; L22-R27 HydrophobicContact CB-CG 4.24Å
23	T	77.1	Confident	62.6	Low	82 Å²	82	100.7 Å²	100.7	50%	0.503	54%	0.537	S	S	.	.			trans	-69	161	172.2	56.9	0	0	0	0	111.4	E25 Q26 R27	T23-E25 PolarHBondContact O-N 3.41Å; T23-Q26 PolarHBondContact O-N 2.96Å; T23-Q26 VanDerWaalsContact O-N 3.15Å; T23-Q26 VanDerWaalsContact OG1-CD 3.24Å; T23-Q26 VanDerWaalsContact OG1-CG 3.3Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.34Å; T23-Q26 PolarHBondContact OG1-OE1 3.24Å; T23-R27 PolarHBondContact O-N 2.98Å; T23-R27 VanDerWaalsContact O-N 3.13Å
24	L	68.6	Low	63.8	Low	127 Å²	127	101.4 Å²	101.4	67%	0.665	53%	0.532	S	S	*	.	H	α-helix	trans	-58	-37.2	-176.8	-156.1	95.2	0	0	0	112.3	R27 K28	L24-R27 PolarHBondContact O-N 3.04Å; L24-K28 PolarHBondContact O-N 3Å
25	E	70.3	Confident	64	Low	154 Å²	154	101.9 Å²	101.9	72%	0.72	53%	0.532	S	S	*	.	H	α-helix	trans	-65.8	-44.6	176.8	-117.2	167.2	173.2	0	0	112	T23 R27 K28 Q29	T23-E25 PolarHBondContact O-N 3.41Å; E25-R27 VanDerWaalsContact C-N 3.26Å; E25-R27 PolarHBondContact O-N 2.89Å; E25-K28 PolarHBondContact O-N 2.76Å; E25-Q29 PolarHBondContact O-N 3.12Å
26	Q	74.1	Confident	64.6	Low	95 Å²	95	103.2 Å²	103.2	44%	0.444	53%	0.531	S	S	.	.	H	α-helix	trans	-63	-33	177.2	-70	169.8	-33.3	0	0	112.3	L22 T23 R30	L22-Q26 HydrophobicContact CB-CB 4.32Å; L22-Q26 HydrophobicContact CD2-CB 3.88Å; L22-Q26 HydrophobicContact CD2-CG 4.43Å; T23-Q26 PolarHBondContact O-N 2.96Å; T23-Q26 VanDerWaalsContact O-N 3.15Å; T23-Q26 VanDerWaalsContact OG1-CD 3.24Å; T23-Q26 VanDerWaalsContact OG1-CG 3.3Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.34Å; T23-Q26 PolarHBondContact OG1-OE1 3.24Å; Q26-R30 WeakPolarHBondContact O-CB 3.32Å; Q26-R30 PolarHBondContact O-N 3.1Å; Q26-R30 VanDerWaalsContact O-N 3.09Å
27	R	72.4	Confident	65.1	Low	94 Å²	94	101.1 Å²	101.1	36%	0.355	52%	0.524	S	S	.	.	H	α-helix	trans	-66.9	-46.6	173.8	-68.3	-179.1	-177.2	179	-0	111.7	N19 L22 T23 L24 E25 Q29 R30 D31	N19-R27 PolarHBondContact O-NH2 3.06Å; L22-R27 HydrophobicContact CB-CG 4.24Å; T23-R27 PolarHBondContact O-N 2.98Å; T23-R27 VanDerWaalsContact O-N 3.13Å; L24-R27 PolarHBondContact O-N 3.04Å; E25-R27 VanDerWaalsContact C-N 3.26Å; E25-R27 PolarHBondContact O-N 2.89Å; R27-Q29 VanDerWaalsContact C-N 3.3Å; R27-Q29 PolarHBondContact O-N 3.19Å; R27-R30 PolarHBondContact O-N 3.05Å; R27-D31 VanDerWaalsContact O-CG 3.22Å; R27-D31 PolarHBondContact O-N 3.01Å
28	K	70.5	Confident	65.4	Low	145 Å²	145	104.5 Å²	104.5	63%	0.63	53%	0.525	S	S	*	.	H	α-helix	trans	-58.5	-42.5	176.7	-74.6	-176.2	176	-176.6	0	112	L24 E25 D31 A32	L24-K28 PolarHBondContact O-N 3Å; E25-K28 PolarHBondContact O-N 2.76Å; K28-D31 PolarHBondContact O-N 3.3Å; K28-A32 PolarHBondContact O-N 3.04Å
29	Q	73.6	Confident	64.9	Low	133 Å²	133	108.1 Å²	108.1	62%	0.621	53%	0.533	S	S	*	.	H	α-helix	trans	-69.6	-41.4	-177.8	-155.4	145.9	3.7	0	0	112	E25 R27 D31 A32 D33	E25-Q29 PolarHBondContact O-N 3.12Å; R27-Q29 VanDerWaalsContact C-N 3.3Å; R27-Q29 PolarHBondContact O-N 3.19Å; Q29-D31 PolarHBondContact O-N 2.96Å; Q29-A32 WeakPolarHBondContact O-CB 3.33Å; Q29-A32 PolarHBondContact O-N 3.29Å; Q29-D33 PolarHBondContact O-N 2.78Å
30	R	77.6	Confident	64.7	Low	88 Å²	88	112 Å²	112	33%	0.332	55%	0.549	S	S	.	.	H	α-helix	trans	-60.8	-44.7	172.9	-173.6	-160.4	69.5	-172.1	-0.9	112.2	N19 Q26 R27 A32 D33 I34	N19-R30 PolarHBondContact OD1-NH1 3.31Å; Q26-R30 WeakPolarHBondContact O-CB 3.32Å; Q26-R30 PolarHBondContact O-N 3.1Å; Q26-R30 VanDerWaalsContact O-N 3.09Å; R27-R30 PolarHBondContact O-N 3.05Å; R30-A32 VanDerWaalsContact C-N 3.27Å; R30-A32 PolarHBondContact O-N 2.7Å; R30-D33 PolarHBondContact O-N 3.02Å; R30-D33 VanDerWaalsContact O-N 3.15Å; R30-I34 HydrophobicContact CG-CD1 4.1Å; R30-I34 WeakPolarHBondContact O-CG1 3.44Å; R30-I34 PolarHBondContact O-N 3.3Å
31	D	72.7	Confident	64.8	Low	75 Å²	75	110.9 Å²	110.9	40%	0.401	54%	0.544	S	S	.	.	H	α-helix	trans	-67.1	-32.8	-178.4	-64.4	-15.4	0	0	0	111.2	R27 K28 Q29 M35	R27-D31 VanDerWaalsContact O-CG 3.22Å; R27-D31 PolarHBondContact O-N 3.01Å; K28-D31 PolarHBondContact O-N 3.3Å; Q29-D31 PolarHBondContact O-N 2.96Å; D31-M35 VanDerWaalsContact O-CG 3.31Å; D31-M35 WeakPolarHBondContact O-CG 3.34Å; D31-M35 PolarHBondContact O-N 2.79Å
32	A	68.8	Low	64.3	Low	48 Å²	48	115.6 Å²	115.6	40%	0.397	54%	0.543	S	S	.	.	H	α-helix	trans	-65.2	-40.3	169.8	0	0	0	0	0	112.7	K28 Q29 R30 M35 R36	K28-A32 PolarHBondContact O-N 3.04Å; Q29-A32 WeakPolarHBondContact O-CB 3.33Å; Q29-A32 PolarHBondContact O-N 3.29Å; R30-A32 VanDerWaalsContact C-N 3.27Å; R30-A32 PolarHBondContact O-N 2.7Å; A32-M35 WeakPolarHBondContact O-CB 3.42Å; A32-M35 PolarHBondContact O-N 2.84Å; A32-R36 PolarHBondContact O-N 2.96Å
33	D	72.6	Confident	63.6	Low	76 Å²	76	120.1 Å²	120.1	41%	0.406	56%	0.562	S	S	.	*	H	α-helix	trans	-68.3	-37.9	176.6	-72.9	-23.5	0	0	0	112.3	Q29 R30 M35 R36 Q37	Q29-D33 PolarHBondContact O-N 2.78Å; R30-D33 PolarHBondContact O-N 3.02Å; R30-D33 VanDerWaalsContact O-N 3.15Å; D33-M35 VanDerWaalsContact C-N 3.33Å; D33-M35 PolarHBondContact O-N 2.86Å; D33-R36 PolarHBondContact O-N 3.38Å; D33-Q37 WeakPolarHBondContact O-CG 3.43Å; D33-Q37 PolarHBondContact O-N 2.95Å
34	I	71.9	Confident	61.6	Low	72 Å²	72	119.3 Å²	119.3	37%	0.369	57%	0.57	S	S	.	*	H	α-helix	trans	-64	-40.1	173.9	-68.1	169.1	0	0	0	110.7	R30 Q37 K38	R30-I34 HydrophobicContact CG-CD1 4.1Å; R30-I34 WeakPolarHBondContact O-CG1 3.44Å; R30-I34 PolarHBondContact O-N 3.3Å; I34-Q37 PolarHBondContact O-N 3.45Å; I34-K38 WeakPolarHBondContact O-CG 3.37Å; I34-K38 PolarHBondContact O-N 3.07Å
35	M	54.5	Low	59.9	Low	135 Å²	135	121.1 Å²	121.1	67%	0.665	58%	0.575	S	S	*	*	H	α-helix	trans	-61.5	-46.3	174.2	-77.9	-86.5	-127.1	0	0	111.4	D31 A32 D33 Q37 K38 Q39	D31-M35 VanDerWaalsContact O-CG 3.31Å; D31-M35 WeakPolarHBondContact O-CG 3.34Å; D31-M35 PolarHBondContact O-N 2.79Å; A32-M35 WeakPolarHBondContact O-CB 3.42Å; A32-M35 PolarHBondContact O-N 2.84Å; D33-M35 VanDerWaalsContact C-N 3.33Å; D33-M35 PolarHBondContact O-N 2.86Å; M35-Q37 PolarHBondContact O-N 3.02Å; M35-K38 PolarHBondContact O-N 3.21Å; M35-Q39 PolarHBondContact O-N 3.43Å
36	R	63.4	Low	58	Low	166 Å²	166	122.1 Å²	122.1	63%	0.626	59%	0.585	S	S	*	*	H	α-helix	trans	-60.9	-43.3	176.7	-77.6	179	-179.6	171.2	-1.4	112.5	A32 D33 K38 Q39 Q40	A32-R36 PolarHBondContact O-N 2.96Å; D33-R36 PolarHBondContact O-N 3.38Å; R36-K38 VanDerWaalsContact C-N 3.32Å; R36-K38 PolarHBondContact O-N 3.44Å; R36-Q39 PolarHBondContact O-N 3.06Å; R36-Q40 PolarHBondContact O-N 3.32Å
37	Q	60.4	Low	55.9	Low	126 Å²	126	120.3 Å²	120.3	59%	0.589	59%	0.593	S	S	*	*	H	α-helix	trans	-65.6	-34.5	177.1	-73.3	-176.7	7.4	0	0	112.7	D33 I34 M35 K41	D33-Q37 WeakPolarHBondContact O-CG 3.43Å; D33-Q37 PolarHBondContact O-N 2.95Å; I34-Q37 PolarHBondContact O-N 3.45Å; M35-Q37 PolarHBondContact O-N 3.02Å; Q37-K41 PolarHBondContact O-N 3.04Å
38	K	59.9	Low	53.7	Low	141 Å²	141	121.8 Å²	121.8	61%	0.613	62%	0.617	S	S	*	*	H	α-helix	trans	-68.3	-36.1	173.9	-79.2	-178.9	178.7	177.5	0	112.2	I34 M35 R36 K42	I34-K38 WeakPolarHBondContact O-CG 3.37Å; I34-K38 PolarHBondContact O-N 3.07Å; M35-K38 PolarHBondContact O-N 3.21Å; R36-K38 VanDerWaalsContact C-N 3.32Å; R36-K38 PolarHBondContact O-N 3.44Å; K38-K42 PolarHBondContact O-N 3.33Å
39	Q	46.8	Very low	51.7	Low	131 Å²	131	123.5 Å²	123.5	61%	0.612	63%	0.627	S	S	*	*	H	α-helix	trans	-65.4	-48.1	173.3	-95.2	169.4	-28.6	0	0	111.7	M35 R36 K41 K42 E43	M35-Q39 PolarHBondContact O-N 3.43Å; R36-Q39 PolarHBondContact O-N 3.06Å; Q39-K41 VanDerWaalsContact C-N 3.3Å; Q39-K41 PolarHBondContact O-N 3.39Å; Q39-K42 WeakPolarHBondContact O-CB 3.5Å; Q39-K42 PolarHBondContact O-N 2.98Å; Q39-E43 PolarHBondContact O-N 2.92Å
40	Q	47.1	Very low	49.4	Very low	134 Å²	134	126.5 Å²	126.5	63%	0.626	64%	0.639	S	S	*	*	H	α-helix	trans	-63.1	-34.6	178.1	-72.4	179.2	-8.3	0	0	112.9	R36 K42 E43 G44	R36-Q40 PolarHBondContact O-N 3.32Å; Q40-K42 VanDerWaalsContact C-N 3.32Å; Q40-K42 PolarHBondContact O-N 3.43Å; Q40-E43 PolarHBondContact O-N 3.49Å; Q40-G44 PolarHBondContact O-N 3.47Å
41	K	48.5	Very low	47	Very low	165 Å²	165	126.9 Å²	126.9	72%	0.717	66%	0.655	S	S	*	*	H	α-helix	trans	-69.6	-26.4	173.6	-84.6	-174.7	175.4	179.3	0	113.8	Q37 Q39	Q37-K41 PolarHBondContact O-N 3.04Å; Q39-K41 VanDerWaalsContact C-N 3.3Å; Q39-K41 PolarHBondContact O-N 3.39Å
42	K	43.5	Very low	45	Very low	176 Å²	176	129.7 Å²	129.7	77%	0.765	67%	0.669	S	S	*	*	H	α-helix	trans	-72.3	-32.7	174.1	-81.9	-174.1	172	-171	0	112	K38 Q39 Q40 G44	K38-K42 PolarHBondContact O-N 3.33Å; Q39-K42 WeakPolarHBondContact O-CB 3.5Å; Q39-K42 PolarHBondContact O-N 2.98Å; Q40-K42 VanDerWaalsContact C-N 3.32Å; Q40-K42 PolarHBondContact O-N 3.43Å; K42-G44 VanDerWaalsContact C-N 3.31Å; K42-G44 PolarHBondContact O-N 3.2Å
43	E	40.5	Very low	43.1	Very low	159 Å²	159	136.2 Å²	136.2	74%	0.743	69%	0.691	S	S	*	*	H	α-helix	trans	-72.5	-24.2	176.9	-68.7	176.6	173.1	0	0	112.8	Q39 Q40	Q39-E43 PolarHBondContact O-N 2.92Å; Q40-E43 PolarHBondContact O-N 3.49Å
44	G	36.5	Very low	41.5	Very low	65 Å²	65	136.4 Å²	136.4	67%	0.67	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-1.6	179.7	0	0	0	0	0	116.4	Q40 K42	Q40-G44 PolarHBondContact O-N 3.47Å; K42-G44 VanDerWaalsContact C-N 3.31Å; K42-G44 PolarHBondContact O-N 3.2Å
45	Q	32.7	Very low	39.6	Very low	166 Å²	166	137.7 Å²	137.7	78%	0.776	70%	0.701	S	S	*	*			trans	-120.2	74.8	-176.8	-70.5	-172	-15.1	0	0	111.4	G47	Q45-G47 PolarHBondContact O-N 3.03Å
46	N	30.7	Very low	38.8	Very low	174 Å²	174	140.2 Å²	140.2	93%	0.93	70%	0.703	S	S	*	*			trans	-67	81.7	164.3	-88.9	-14.9	0	0	0	110.1
47	G	28.7	Very low	37.6	Very low	58 Å²	58	135.8 Å²	135.8	60%	0.598	69%	0.692	S	S	*	*			trans	-114.8	112.8	162.7	0	0	0	0	0	108.4	Q45 H49	Q45-G47 PolarHBondContact O-N 3.03Å; G47-H49 PolarHBondContact O-N 3.39Å
48	S	27.1	Very low	36.3	Very low	125 Å²	125	136.5 Å²	136.5	87%	0.874	70%	0.698	S	S	*	*			trans	-32.5	98.2	-178.7	55	0	0	0	0	115.2
49	H	28	Very low	34.8	Very low	181 Å²	181	134.5 Å²	134.5	84%	0.838	69%	0.692	S	S	*	*			trans	-107.4	110	161	-125	-66.4	0	0	0	106.9	G47 S51	G47-H49 PolarHBondContact O-N 3.39Å; H49-S51 VanDerWaalsContact C-N 3.32Å; H49-S51 PolarHBondContact O-N 3.48Å
50	F	25.1	Very low	34.1	Very low	196 Å²	196	134.4 Å²	134.4	86%	0.86	70%	0.696	S	S	*	*			trans	-69.2	90.1	173.3	-124.4	-97.3	0	0	0	107.6
51	S	28	Very low	33.5	Very low	96 Å²	96	136.6 Å²	136.6	67%	0.671	71%	0.706	S	S	*	*			trans	-87.5	110	165.4	51	0	0	0	0	107.7	H49 E53	H49-S51 VanDerWaalsContact C-N 3.32Å; H49-S51 PolarHBondContact O-N 3.48Å; S51-E53 PolarHBondContact O-N 2.91Å
52	L	30.1	Very low	32.9	Very low	133 Å²	133	133.4 Å²	133.4	70%	0.696	71%	0.711	S	S	*	*			trans	-65.1	101.2	168.6	-77.9	155.2	0	0	0	107.6	F54	L52-F54 HydrophobicContact CB-CZ 4.49Å; L52-F54 PolarHBondContact O-N 2.8Å
53	E	28.7	Very low	32.4	Very low	185 Å²	185	129 Å²	129	86%	0.864	70%	0.699	S	S	*	*			trans	-72	106.6	169	-81.9	-172.9	153.6	0	0	108.7	S51	S51-E53 PolarHBondContact O-N 2.91Å
54	F	39.1	Very low	31.8	Very low	81 Å²	81	125.9 Å²	125.9	36%	0.355	69%	0.69	S	S	.	*			trans	-69.8	143.6	170.8	-61	-75.6	0	0	0	110.3	L52 R56 D235 V246	L52-F54 HydrophobicContact CB-CZ 4.49Å; L52-F54 PolarHBondContact O-N 2.8Å; F54-R56 PolarHBondContact O-N 2.92Å; F54-D235 WeakPolarHBondContact CE2-OD1 3.49Å; F54-D235 WeakPolarHBondContact CZ-OD1 3.46Å; F54-V246 HydrophobicContact CD1-CB 4.38Å; F54-V246 HydrophobicContact CD1-CG2 4.36Å; F54-V246 HydrophobicContact CE1-CG2 4.28Å
55	P	33.1	Very low	31.4	Very low	98 Å²	98	127.1 Å²	127.1	64%	0.636	69%	0.686	S	S	*	*			trans	-62.5	101.3	174.3	19.2	-23.3	0	0	0	109.7	L57	P55-L57 PolarHBondContact O-N 3.1Å
56	R	37.3	Very low	31.3	Very low	188 Å²	188	128.6 Å²	128.6	71%	0.709	69%	0.69	S	S	*	*			trans	-74.3	121.6	167.3	-67.8	-175.9	-178.1	-167.6	0.3	107.2	F54 I58	F54-R56 PolarHBondContact O-N 2.92Å; R56-I58 HydrophobicContact CB-CD1 4.18Å; R56-I58 HydrophobicContact CB-CG1 3.74Å; R56-I58 PolarHBondContact O-N 2.84Å
57	L	38.6	Very low	31.5	Very low	74 Å²	74	123.9 Å²	123.9	39%	0.387	67%	0.665	S	S	.	*			trans	-71.5	81.3	165.8	-72.1	168.6	0	0	0	107.6	P55 Y77 F84 V247	P55-L57 PolarHBondContact O-N 3.1Å; L57-Y77 HydrophobicContact CB-CD1 4.28Å; L57-Y77 HydrophobicContact CB-CE1 4.28Å; L57-Y77 HydrophobicContact CD1-CD1 4.4Å; L57-F84 HydrophobicContact CD1-CE2 4.43Å; L57-V247 HydrophobicContact CD1-CG1 4.17Å
58	I	31.9	Very low	31.7	Very low	141 Å²	141	127.8 Å²	127.8	72%	0.723	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-81.4	116.9	172.7	-56.5	176	0	0	0	106.4	R56	R56-I58 HydrophobicContact CB-CD1 4.18Å; R56-I58 HydrophobicContact CB-CG1 3.74Å; R56-I58 PolarHBondContact O-N 2.84Å
59	M	29.5	Very low	32.3	Very low	99 Å²	99	126.8 Å²	126.8	49%	0.488	66%	0.661	S	S	.	*	P	Polyproline II helix	trans	-70.4	136.4	169.9	-74.6	-173.9	72.8	0	0	109.4	E61	M59-E61 PolarHBondContact O-N 2.74Å
60	D	31.8	Very low	33.6	Very low	128 Å²	128	126.5 Å²	126.5	68%	0.684	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-57	123.4	172.6	-121	-21.7	0	0	0	109.7	A62 T63	D60-A62 PolarHBondContact O-N 2.92Å; D60-T63 PolarHBondContact O-N 2.79Å; D60-T63 PolarHBondContact O-OG1 3.38Å
61	E	34.9	Very low	35.4	Very low	180 Å²	180	121.7 Å²	121.7	84%	0.841	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-56.3	-23.5	-178.2	-72.5	-172.9	157.8	0	0	112.7	M59 T63 V64	M59-E61 PolarHBondContact O-N 2.74Å; E61-T63 PolarHBondContact O-N 2.92Å; E61-V64 WeakPolarHBondContact O-CG2 3.31Å
62	A	35.1	Very low	37.6	Very low	99 Å²	99	119.7 Å²	119.7	82%	0.818	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-70.1	-12.7	176.3	0	0	0	0	0	114.1	D60	D60-A62 PolarHBondContact O-N 2.92Å
63	T	33	Very low	39.9	Very low	84 Å²	84	114.1 Å²	114.1	52%	0.515	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-117.8	38.4	178.8	26.3	0	0	0	0	112.1	D60 E61 P65	D60-T63 PolarHBondContact O-N 2.79Å; D60-T63 PolarHBondContact O-OG1 3.38Å; E61-T63 PolarHBondContact O-N 2.92Å; T63-P65 WeakPolarHBondContact O-CD 3.02Å
64	V	28	Very low	42.5	Very low	93 Å²	93	105.3 Å²	105.3	56%	0.564	56%	0.558	S	S	*	*			trans	-88.4	83.5	162.7	-172.2	0	0	0	0	107.8	E61 K66 L67	E61-V64 WeakPolarHBondContact O-CG2 3.31Å; V64-K66 PolarHBondContact O-N 2.87Å; V64-L67 HydrophobicContact CG1-CD1 4.48Å
65	P	27.6	Very low	44.7	Very low	90 Å²	90	103.8 Å²	103.8	58%	0.584	55%	0.55	S	S	*	*			trans	-58.3	130.6	166.7	26.2	-30.9	0	0	0	106	T63 L67	T63-P65 WeakPolarHBondContact O-CD 3.02Å; P65-L67 WeakPolarHBondContact O-CA 3.44Å; P65-L67 WeakPolarHBondContact O-CG 3.31Å; P65-L67 PolarHBondContact O-N 3.14Å
66	K	31.1	Very low	47.1	Very low	198 Å²	198	102.8 Å²	102.8	86%	0.861	54%	0.539	S	S	*	.			trans	-44.5	105	172.1	-78.1	177.9	173.8	176.8	0	107.6	V64 V68	V64-K66 PolarHBondContact O-N 2.87Å; K66-V68 VanDerWaalsContact C-N 3.27Å; K66-V68 PolarHBondContact O-N 3.38Å
67	L	33.9	Very low	49.4	Very low	75 Å²	75	95.3 Å²	95.3	39%	0.393	51%	0.511	S	S	.	.			trans	-71.5	80.6	-166.6	-78.5	146	0	0	0	109.6	V64 P65 N69 L76	V64-L67 HydrophobicContact CG1-CD1 4.48Å; P65-L67 WeakPolarHBondContact O-CA 3.44Å; P65-L67 WeakPolarHBondContact O-CG 3.31Å; P65-L67 PolarHBondContact O-N 3.14Å; L67-N69 VanDerWaalsContact C-N 3.25Å; L67-L76 HydrophobicContact CD2-CD1 4.3Å; L67-L76 HydrophobicContact CD2-CD2 4.21Å
68	V	33.1	Very low	51.8	Low	139 Å²	139	93.7 Å²	93.7	84%	0.842	50%	0.501	S	S	*	.			trans	-95.8	31.9	170	-165.6	0	0	0	0	110	K66	K66-V68 VanDerWaalsContact C-N 3.27Å; K66-V68 PolarHBondContact O-N 3.38Å
69	N	40.7	Very low	54.5	Low	104 Å²	104	94.4 Å²	94.4	56%	0.556	50%	0.502	S	S	*	.	S	Bend	trans	-116.2	123.7	176.9	-131.2	-5.1	0	0	0	108.5	L67 Q71	L67-N69 VanDerWaalsContact C-N 3.25Å; N69-Q71 PolarHBondContact O-N 2.97Å
70	D	55	Low	57.3	Low	175 Å²	175	90.5 Å²	90.5	94%	0.936	49%	0.487	S	S	*	.			trans	-62.7	18.2	179.4	-71.9	-35.7	0	0	0	114.2
71	Q	63.3	Low	60.1	Low	95 Å²	95	84.5 Å²	84.5	44%	0.444	46%	0.455	S	S	.	.			trans	-81.4	136.1	-176.3	-66.8	-172.6	-0.9	0	0	111.7	N69	N69-Q71 PolarHBondContact O-N 2.97Å
72	L	74.7	Confident	62.9	Low	55 Å²	55	76.5 Å²	76.5	29%	0.288	42%	0.418	S	S	.	.			trans	-66.2	144.7	176.8	-71.7	165.9	0	0	0	111.3	V74 R75 Q104	L72-V74 VanDerWaalsContact C-N 3.31Å; L72-V74 PolarHBondContact O-N 2.81Å; L72-V74 VanDerWaalsContact O-N 3.11Å; L72-R75 WeakPolarHBondContact O-CB 3.34Å; L72-R75 PolarHBondContact O-N 3.04Å; L72-Q104 HydrophobicContact CB-CG 4.07Å; L72-Q104 HydrophobicContact CD1-CG 3.69Å
73	P	77.3	Confident	65.6	Low	15 Å²	15	80.2 Å²	80.2	10%	0.097	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-51.5	-40.1	-170.9	-28.6	32.3	0	0	0	115.7	R75 L76 Y77 C99 R252	P73-R75 PolarHBondContact O-N 2.88Å; P73-R75 VanDerWaalsContact O-N 3.16Å; P73-L76 WeakPolarHBondContact O-CB 3.35Å; P73-L76 PolarHBondContact O-N 3.02Å; P73-L76 VanDerWaalsContact O-N 3.1Å; P73-Y77 WeakPolarHBondContact O-CD2 3.36Å; P73-C99 HydrophobicContact CB-CB 4.13Å; P73-C99 WeakPolarHBondContact CD-O 3.25Å; P73-C99 HydrophobicContact CG-CB 4.23Å; P73-R252 HydrophobicContact CG-CG 4.49Å
74	V	83.6	Confident	68.5	Low	0 Å²	0	78.8 Å²	78.8	0%	0	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-61.7	-26.8	-177.9	71.2	0	0	0	0	112.9	L72 L76 Y77 L81 L93 C99 Q104 V105 M108	L72-V74 VanDerWaalsContact C-N 3.31Å; L72-V74 PolarHBondContact O-N 2.81Å; L72-V74 VanDerWaalsContact O-N 3.11Å; V74-L76 PolarHBondContact O-N 3.18Å; V74-Y77 PolarHBondContact O-N 2.75Å; V74-L81 HydrophobicContact CG2-CD2 4.35Å; V74-L93 HydrophobicContact CG2-CD2 4.2Å; V74-C99 WeakPolarHBondContact CB-O 3.25Å; V74-C99 WeakPolarHBondContact CG1-O 3.38Å; V74-C99 PolarHBondContact N-O 2.93Å; V74-Q104 HydrophobicContact CG1-CB 3.55Å; V74-Q104 HydrophobicContact CG1-CG 3.92Å; V74-V105 HydrophobicContact CG2-CG2 3.96Å; V74-M108 HydrophobicContact CB-CE 4.46Å; V74-M108 HydrophobicContact CG1-CE 3.81Å; V74-M108 HydrophobicContact CG2-CE 4.23Å
75	R	85.2	Confident	71.6	Confident	50 Å²	50	74.5 Å²	74.5	19%	0.189	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-65.9	-26.7	179	-163.9	68.7	175.3	-179.3	8.1	112.2	L72 P73 Y77 Q78 M108 E111	L72-R75 WeakPolarHBondContact O-CB 3.34Å; L72-R75 PolarHBondContact O-N 3.04Å; P73-R75 PolarHBondContact O-N 2.88Å; P73-R75 VanDerWaalsContact O-N 3.16Å; R75-Y77 PolarHBondContact O-N 2.9Å; R75-Q78 VanDerWaalsContact O-CB 3.29Å; R75-Q78 WeakPolarHBondContact O-CB 3.5Å; R75-Q78 PolarHBondContact O-N 3.31Å; R75-M108 HydrophobicContact CB-CE 4.26Å; R75-E111 IonicContact CZ-OE2 3.99Å; R75-E111 IonicContact NH1-OE1 3.93Å; R75-E111 IonicContact NH1-OE2 3.33Å; R75-E111 PolarHBondContact NH1-OE2 3.07Å; R75-E111 IonicContact NH2-OE1 2.7Å; R75-E111 IonicContact NH2-OE2 2.73Å; R75-E111 PolarHBondContact NH2-OE2 2.9Å
76	L	84.1	Confident	74.7	Confident	76 Å²	76	75.4 Å²	75.4	40%	0.398	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-64.3	-26.5	174.2	-59	174	0	0	0	112.2	L67 P73 V74	L67-L76 HydrophobicContact CD2-CD1 4.3Å; L67-L76 HydrophobicContact CD2-CD2 4.21Å; P73-L76 WeakPolarHBondContact O-CB 3.35Å; P73-L76 PolarHBondContact O-N 3.02Å; P73-L76 VanDerWaalsContact O-N 3.1Å; V74-L76 PolarHBondContact O-N 3.18Å
77	Y	85	Confident	77.7	Confident	32 Å²	32	69.7 Å²	69.7	13%	0.125	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-98	9.1	-178.5	-59.5	-84.9	0	0	0	113.2	L57 P73 V74 R75 E79 G80 L81 C249	L57-Y77 HydrophobicContact CB-CD1 4.28Å; L57-Y77 HydrophobicContact CB-CE1 4.28Å; L57-Y77 HydrophobicContact CD1-CD1 4.4Å; P73-Y77 WeakPolarHBondContact O-CD2 3.36Å; V74-Y77 PolarHBondContact O-N 2.75Å; R75-Y77 PolarHBondContact O-N 2.9Å; Y77-E79 PolarHBondContact O-N 3.31Å; Y77-G80 PolarHBondContact O-N 3.01Å; Y77-L81 VanDerWaalsContact O-CB 3.31Å; Y77-L81 WeakPolarHBondContact O-CB 3.37Å; Y77-L81 PolarHBondContact O-N 3.01Å; Y77-C249 HydrophobicContact CD2-CB 4.08Å; Y77-C249 VanDerWaalsContact CD2-SG 3.52Å; Y77-C249 HydrophobicContact CE2-CB 4.2Å
78	Q	88.8	Confident	80.6	Confident	39 Å²	39	69.5 Å²	69.5	18%	0.182	35%	0.348	C	S	.	.	H	α-helix	trans	-53.3	-51.8	-171	172.4	173.2	1.5	0	0	113.4	R75 G80 L81 L82 M108	R75-Q78 VanDerWaalsContact O-CB 3.29Å; R75-Q78 WeakPolarHBondContact O-CB 3.5Å; R75-Q78 PolarHBondContact O-N 3.31Å; Q78-G80 PolarHBondContact O-N 3.24Å; Q78-L81 PolarHBondContact O-N 2.9Å; Q78-L82 HydrophobicContact CG-CD1 3.54Å; Q78-L82 HydrophobicContact CG-CG 4.27Å; Q78-L82 WeakPolarHBondContact O-CB 3.39Å; Q78-L82 VanDerWaalsContact O-CG 3.24Å; Q78-L82 WeakPolarHBondContact O-CG 3.2Å; Q78-L82 PolarHBondContact O-N 2.57Å; Q78-M108 HydrophobicContact CB-CE 4.48Å; Q78-M108 HydrophobicContact CB-SD 3.6Å; Q78-M108 HydrophobicContact CG-CB 4.36Å; Q78-M108 HydrophobicContact CG-CG 4.37Å; Q78-M108 HydrophobicContact CG-SD 3.62Å
79	E	88.2	Confident	83.6	Confident	156 Å²	156	66 Å²	66	73%	0.729	32%	0.324	S	S	*	.	H	α-helix	trans	-62.5	-44.5	-175.9	-67.8	-171	172.7	0	0	112.2	Y77 R83	Y77-E79 PolarHBondContact O-N 3.31Å; E79-R83 WeakPolarHBondContact O-CB 3.35Å; E79-R83 PolarHBondContact O-N 2.72Å; E79-R83 VanDerWaalsContact O-N 3.07Å
80	G	88.6	Confident	86.3	Confident	18 Å²	18	61.7 Å²	61.7	19%	0.186	30%	0.302	C	S	.	.	H	α-helix	trans	-63.1	-50.2	176.6	0	0	0	0	0	111.4	Y77 Q78 L82 R83 F84	Y77-G80 PolarHBondContact O-N 3.01Å; Q78-G80 PolarHBondContact O-N 3.24Å; G80-L82 PolarHBondContact O-N 3.31Å; G80-R83 WeakPolarHBondContact O-CB 3.4Å; G80-R83 PolarHBondContact O-N 2.9Å; G80-R83 VanDerWaalsContact O-N 3.17Å; G80-F84 WeakPolarHBondContact O-CD2 3.4Å; G80-F84 PolarHBondContact O-N 2.98Å
81	L	90.9	Very high	88.3	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-59.2	-47.8	-179.5	-179.3	59.7	0	0	0	111.9	V74 Y77 Q78 R83 F84 I85 V91 L93 V105 V247	V74-L81 HydrophobicContact CG2-CD2 4.35Å; Y77-L81 VanDerWaalsContact O-CB 3.31Å; Y77-L81 WeakPolarHBondContact O-CB 3.37Å; Y77-L81 PolarHBondContact O-N 3.01Å; Q78-L81 PolarHBondContact O-N 2.9Å; L81-R83 VanDerWaalsContact C-N 3.29Å; L81-R83 PolarHBondContact O-N 3.35Å; L81-F84 PolarHBondContact O-N 3.43Å; L81-I85 HydrophobicContact CD1-CD1 3.85Å; L81-I85 HydrophobicContact CD1-CG1 4.24Å; L81-I85 HydrophobicContact CG-CD1 3.79Å; L81-I85 VanDerWaalsContact O-CG1 3.3Å; L81-I85 WeakPolarHBondContact O-CG1 3.4Å; L81-I85 PolarHBondContact O-N 3.4Å; L81-V91 HydrophobicContact CD1-CG1 4.46Å; L81-L93 HydrophobicContact CD1-CD1 4.23Å; L81-L93 HydrophobicContact CD2-CD2 4.02Å; L81-V105 HydrophobicContact CD2-CG1 4.45Å; L81-V105 HydrophobicContact CD2-CG2 3.99Å; L81-V247 HydrophobicContact CD1-CG2 4.44Å
82	L	93.4	Very high	89.8	Confident	13 Å²	13	48.9 Å²	48.9	7%	0.068	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-34.5	178.1	-71.2	170.8	0	0	0	112.4	Q78 G80 K86 M108 L109 C112 L114	Q78-L82 HydrophobicContact CG-CD1 3.54Å; Q78-L82 HydrophobicContact CG-CG 4.27Å; Q78-L82 WeakPolarHBondContact O-CB 3.39Å; Q78-L82 VanDerWaalsContact O-CG 3.24Å; Q78-L82 WeakPolarHBondContact O-CG 3.2Å; Q78-L82 PolarHBondContact O-N 2.57Å; G80-L82 PolarHBondContact O-N 3.31Å; L82-K86 WeakPolarHBondContact O-CB 3.4Å; L82-K86 VanDerWaalsContact O-CG 3.25Å; L82-K86 WeakPolarHBondContact O-CG 3.46Å; L82-K86 PolarHBondContact O-N 2.93Å; L82-M108 HydrophobicContact CD1-CB 4.43Å; L82-M108 HydrophobicContact CD2-CB 4.14Å; L82-M108 HydrophobicContact CG-CB 4.47Å; L82-L109 HydrophobicContact CD2-CD2 4.1Å; L82-C112 HydrophobicContact CD1-CB 4.3Å; L82-C112 WeakPolarHBondContact CD1-SG 3.3Å; L82-C112 HydrophobicContact CD2-CB 4.28Å; L82-L114 HydrophobicContact CD2-CD1 4.3Å
83	R	93.2	Very high	90.7	Very high	176 Å²	176	46.3 Å²	46.3	66%	0.664	22%	0.223	S	C	*	.	H	α-helix	trans	-62.8	-48.5	173.6	-172.4	-175.3	-63.4	162.4	1.9	110.8	E79 G80 L81 I85 K86 S87	E79-R83 WeakPolarHBondContact O-CB 3.35Å; E79-R83 PolarHBondContact O-N 2.72Å; E79-R83 VanDerWaalsContact O-N 3.07Å; G80-R83 WeakPolarHBondContact O-CB 3.4Å; G80-R83 PolarHBondContact O-N 2.9Å; G80-R83 VanDerWaalsContact O-N 3.17Å; L81-R83 VanDerWaalsContact C-N 3.29Å; L81-R83 PolarHBondContact O-N 3.35Å; R83-I85 PolarHBondContact O-N 3.47Å; R83-K86 PolarHBondContact O-N 3.21Å; R83-S87 PolarHBondContact O-N 2.94Å; R83-S87 PolarHBondContact O-OG 3.22Å
84	F	91.9	Very high	91.3	Very high	54 Å²	54	46.5 Å²	46.5	24%	0.237	22%	0.223	C	C	.	.	H	α-helix	trans	-60.7	-44.8	177.6	-81.3	-73.9	0	0	0	112.3	L57 G80 L81 K86 S87 H88 V91 P245 V247	L57-F84 HydrophobicContact CD1-CE2 4.43Å; G80-F84 WeakPolarHBondContact O-CD2 3.4Å; G80-F84 PolarHBondContact O-N 2.98Å; L81-F84 PolarHBondContact O-N 3.43Å; F84-K86 VanDerWaalsContact C-N 3.32Å; F84-K86 PolarHBondContact O-N 2.99Å; F84-S87 PolarHBondContact O-N 3.4Å; F84-S87 PolarHBondContact O-OG 2.82Å; F84-H88 AromaticContact CD1-CE1 3.76Å; F84-H88 AromaticContact CD1-ND1 3.94Å; F84-H88 PolarHBondContact O-N 2.98Å; F84-H88 PolarHBondContact O-ND1 3.22Å; F84-V91 HydrophobicContact CB-CG1 4.35Å; F84-V91 HydrophobicContact CB-CG2 4.15Å; F84-P245 HydrophobicContact CD1-CB 4.1Å; F84-P245 HydrophobicContact CD1-CG 4.27Å; F84-P245 HydrophobicContact CE1-CB 4.31Å; F84-V247 HydrophobicContact CB-CG2 4.45Å; F84-V247 HydrophobicContact CD2-CG2 3.9Å; F84-V247 HydrophobicContact CE2-CG2 4.4Å; F84-V247 HydrophobicContact CG-CG2 4.17Å
85	I	94.6	Very high	91.2	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-35.5	180	-66.5	170.3	0	0	0	111.6	L81 R83 V91 L109 L114 V226	L81-I85 HydrophobicContact CD1-CD1 3.85Å; L81-I85 HydrophobicContact CD1-CG1 4.24Å; L81-I85 HydrophobicContact CG-CD1 3.79Å; L81-I85 VanDerWaalsContact O-CG1 3.3Å; L81-I85 WeakPolarHBondContact O-CG1 3.4Å; L81-I85 PolarHBondContact O-N 3.4Å; R83-I85 PolarHBondContact O-N 3.47Å; I85-V91 HydrophobicContact CG1-CB 4.21Å; I85-V91 HydrophobicContact CG1-CG1 4.48Å; I85-V91 HydrophobicContact CG1-CG2 4.05Å; I85-L109 HydrophobicContact CD1-CD2 3.95Å; I85-L109 HydrophobicContact CG2-CD2 4.01Å; I85-L114 HydrophobicContact CG2-CD1 4.13Å; I85-V226 HydrophobicContact CD1-CG2 3.81Å; I85-V226 HydrophobicContact CG1-CG2 4.04Å; I85-V226 HydrophobicContact CG2-CG2 4.33Å
86	K	93.1	Very high	90.7	Very high	110 Å²	110	47.4 Å²	47.4	48%	0.478	23%	0.23	S	C	.	.	H	α-helix	trans	-69.2	-41.6	175.6	-76.1	173.7	-179.2	-177	0	111.8	L82 R83 F84 L114 K224	L82-K86 WeakPolarHBondContact O-CB 3.4Å; L82-K86 VanDerWaalsContact O-CG 3.25Å; L82-K86 WeakPolarHBondContact O-CG 3.46Å; L82-K86 PolarHBondContact O-N 2.93Å; R83-K86 PolarHBondContact O-N 3.21Å; F84-K86 VanDerWaalsContact C-N 3.32Å; F84-K86 PolarHBondContact O-N 2.99Å; K86-L114 HydrophobicContact CG-CD1 4.33Å; K86-L114 HydrophobicContact CG-CD2 4.07Å; K86-K224 PolarHBondContact O-NZ 3.31Å
87	S	93.8	Very high	90	Very high	78 Å²	78	44.8 Å²	44.8	55%	0.545	22%	0.217	S	C	.	.	H	α-helix	trans	-86.4	-13.5	-172.7	70.7	0	0	0	0	115.1	R83 F84	R83-S87 PolarHBondContact O-N 2.94Å; R83-S87 PolarHBondContact O-OG 3.22Å; F84-S87 PolarHBondContact O-N 3.4Å; F84-S87 PolarHBondContact O-OG 2.82Å
88	H	95.2	Very high	89.2	Confident	71 Å²	71	44.8 Å²	44.8	33%	0.329	23%	0.227	S	C	.	.			trans	-125	152.3	179.4	-56.7	85.5	0	0	0	110.2	F84 V91 K224 P245	F84-H88 AromaticContact CD1-CE1 3.76Å; F84-H88 AromaticContact CD1-ND1 3.94Å; F84-H88 PolarHBondContact O-N 2.98Å; F84-H88 PolarHBondContact O-ND1 3.22Å; H88-V91 HydrophobicContact CB-CG2 4.1Å; H88-K224 WeakPolarHBondContact O-CD 3.31Å; H88-K224 PolarHBondContact O-NZ 3.1Å; H88-P245 HydrophobicContact CB-CG 4.22Å
89	D	95.6	Very high	88.6	Confident	64 Å²	64	43 Å²	43	34%	0.342	22%	0.219	S	C	.	.	S	Bend	trans	-80.1	-26.8	175.8	-68.1	-20	0	0	0	112	Q212 P222 K224 V225	D89-Q212 PolarHBondContact O-NE2 2.89Å; D89-P222 WeakPolarHBondContact OD1-CB 3.48Å; D89-K224 CarbonylContact O-C 3.45Å; D89-K224 WeakPolarHBondContact O-CA 3.23Å; D89-K224 IonicContact OD1-NZ 3.21Å; D89-K224 PolarHBondContact OD1-NZ 3.04Å; D89-V225 PolarHBondContact O-N 3.07Å
90	T	97.6	Very high	88.4	Confident	14 Å²	14	36 Å²	36	9%	0.086	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136	174.5	-56.3	0	0	0	0	110.9	Q212 V225 I227 F241 A244 P245	T90-Q212 PolarHBondContact OG1-NE2 2.85Å; T90-Q212 VanDerWaalsContact OG1-NE2 3.08Å; T90-Q212 PolarHBondContact OG1-OE1 3Å; T90-V225 CarbonylContact C-O 3.46Å; T90-V225 VanDerWaalsContact CA-O 3.26Å; T90-V225 WeakPolarHBondContact CA-O 3.29Å; T90-V225 HydrophobicContact CG2-CB 4.25Å; T90-V225 HydrophobicContact CG2-CG1 4.25Å; T90-I227 HydrophobicContact CG2-CD1 3.86Å; T90-I227 HydrophobicContact CG2-CG1 4.43Å; T90-F241 HydrophobicContact CG2-CB 3.94Å; T90-F241 HydrophobicContact CG2-CD1 3.77Å; T90-F241 HydrophobicContact CG2-CE1 4.41Å; T90-F241 HydrophobicContact CG2-CG 3.9Å; T90-A244 HydrophobicContact CG2-CB 3.95Å; T90-P245 WeakPolarHBondContact O-CD 3.47Å
91	V	96.7	Very high	88.4	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.7	174.5	178.7	0	0	0	0	109.6	L81 F84 I85 H88 V225 V226 I227 P245 V247	L81-V91 HydrophobicContact CD1-CG1 4.46Å; F84-V91 HydrophobicContact CB-CG1 4.35Å; F84-V91 HydrophobicContact CB-CG2 4.15Å; I85-V91 HydrophobicContact CG1-CB 4.21Å; I85-V91 HydrophobicContact CG1-CG1 4.48Å; I85-V91 HydrophobicContact CG1-CG2 4.05Å; H88-V91 HydrophobicContact CB-CG2 4.1Å; V91-V225 PolarHBondContact N-O 3.35Å; V91-V226 CarbonylContact O-C 3.53Å; V91-V226 WeakPolarHBondContact O-CA 3.5Å; V91-I227 PolarHBondContact O-N 3.5Å; V91-P245 HydrophobicContact CG2-CG 4.18Å; V91-V247 HydrophobicContact CG1-CG2 4.07Å
92	I	95.1	Very high	88.4	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.8	174.7	-58.4	166.6	0	0	0	108.8	I94 I227 V234 I237 A244 P245 V246 V247	I92-I94 HydrophobicContact CG2-CG1 4.43Å; I92-I227 CarbonylContact C-O 3.55Å; I92-I227 WeakPolarHBondContact CA-O 3.24Å; I92-I227 HydrophobicContact CG1-CB 4.1Å; I92-I227 HydrophobicContact CG1-CD1 4.14Å; I92-I227 HydrophobicContact CG2-CG2 4.5Å; I92-V234 HydrophobicContact CG2-CG1 3.81Å; I92-I237 HydrophobicContact CD1-CB 4.29Å; I92-I237 HydrophobicContact CD1-CG2 3.76Å; I92-I237 HydrophobicContact CG1-CG2 4.3Å; I92-A244 HydrophobicContact CD1-CB 4.14Å; I92-A244 HydrophobicContact CG1-CB 4.26Å; I92-P245 PolarHBondContact N-O 3.34Å; I92-V246 HydrophobicContact CB-CG2 4.33Å; I92-V246 HydrophobicContact CD1-CG2 4.38Å; I92-V246 CarbonylContact O-C 3.54Å; I92-V246 WeakPolarHBondContact O-CA 3.41Å; I92-V247 PolarHBondContact O-N 3.4Å
93	L	93	Very high	88.4	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.2	175.8	179.3	63.4	0	0	0	109.6	V74 L81 K101 V105 I227 M228 S229 V247 C249	V74-L93 HydrophobicContact CG2-CD2 4.2Å; L81-L93 HydrophobicContact CD1-CD1 4.23Å; L81-L93 HydrophobicContact CD2-CD2 4.02Å; L93-K101 HydrophobicContact CD2-CB 4.48Å; L93-K101 HydrophobicContact CD2-CD 4.1Å; L93-K101 HydrophobicContact CD2-CG 3.89Å; L93-K101 HydrophobicContact CG-CD 4.04Å; L93-K101 HydrophobicContact CG-CG 4.33Å; L93-V105 HydrophobicContact CD2-CG2 3.67Å; L93-I227 PolarHBondContact N-O 2.93Å; L93-M228 HydrophobicContact CB-CG 4.24Å; L93-M228 HydrophobicContact CD2-CG 4.36Å; L93-M228 HydrophobicContact CD2-SD 4.06Å; L93-M228 WeakPolarHBondContact O-CA 3.5Å; L93-S229 PolarHBondContact O-N 3.18Å; L93-V247 WeakPolarHBondContact CA-O 3.39Å; L93-V247 HydrophobicContact CD1-CB 4.09Å; L93-V247 HydrophobicContact CD1-CG1 4.02Å; L93-C249 HydrophobicContact CD1-CB 4.38Å; L93-C249 VanDerWaalsContact CD1-SG 3.54Å
94	I	88.7	Confident	88.4	Confident	19 Å²	19	28.8 Å²	28.8	10%	0.097	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.9	172.2	-50.9	163.4	0	0	0	108.2	I92 S229 V234 V246 V247 Y248 C249	I92-I94 HydrophobicContact CG2-CG1 4.43Å; I94-S229 WeakPolarHBondContact CA-O 3.47Å; I94-V234 HydrophobicContact CD1-CB 3.87Å; I94-V234 HydrophobicContact CD1-CG1 3.58Å; I94-V234 HydrophobicContact CD1-CG2 3.4Å; I94-V234 HydrophobicContact CG1-CB 4.34Å; I94-V234 HydrophobicContact CG1-CG1 3.98Å; I94-V234 HydrophobicContact CG1-CG2 3.52Å; I94-V246 HydrophobicContact CD1-CG1 3.28Å; I94-V246 HydrophobicContact CG1-CG1 3.88Å; I94-V247 PolarHBondContact N-O 3.22Å; I94-Y248 HydrophobicContact CB-CD2 3.77Å; I94-Y248 HydrophobicContact CB-CE2 4.31Å; I94-Y248 HydrophobicContact CD1-CD2 4.11Å; I94-Y248 HydrophobicContact CG2-CD2 3.72Å; I94-Y248 HydrophobicContact CG2-CE2 3.73Å; I94-C249 PolarHBondContact O-N 2.82Å
95	G	82.6	Confident	88.5	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	153.2	163.7	0	0	0	0	0	110.3	K101 S229 A230 C249	G95-K101 WeakPolarHBondContact O-CE 3.35Å; G95-K101 PolarHBondContact O-NZ 3.26Å; G95-S229 PolarHBondContact N-O 2.92Å; G95-A230 WeakPolarHBondContact O-CA 3.4Å; G95-C249 WeakPolarHBondContact CA-O 3.4Å
96	E	73.9	Confident	88.6	Confident	69 Å²	69	26.1 Å²	26.1	32%	0.322	15%	0.147	S	C	.	.			trans	-59.6	161.3	178.2	-65.2	-178.2	152.5	0	0	111.8	G98 C99 K101 T253	E96-G98 PolarHBondContact O-N 3.32Å; E96-C99 PolarHBondContact O-N 3.18Å; E96-C99 PolarHBondContact O-SG 3.49Å; E96-K101 PolarHBondContact O-NZ 3.39Å; E96-K101 VanDerWaalsContact O-NZ 3.13Å; E96-T253 WeakPolarHBondContact OE2-CG2 3.15Å; E96-T253 PolarHBondContact OE2-OG1 3.09Å
97	T	69.7	Low	88.8	Confident	20 Å²	20	21.6 Å²	21.6	12%	0.123	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	132	177.1	42.5	0	0	0	0	109.9	A230 R404	T97-A230 HydrophobicContact CG2-CB 4.01Å; T97-R404 PolarHBondContact OG1-NH2 3.34Å
98	G	69.2	Low	88.8	Confident	32 Å²	32	17.9 Å²	17.9	33%	0.33	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	96	-6.6	-175.5	0	0	0	0	0	115.7	E96 G100	E96-G98 PolarHBondContact O-N 3.32Å; G98-G100 PolarHBondContact O-N 3.45Å
99	C	76.6	Confident	88.9	Confident	2 Å²	2	14.5 Å²	14.5	1%	0.014	9%	0.086	C	C	.	.	S	Bend	trans	-72.3	-5.4	175.3	69	0	0	0	0	114.4	P73 V74 E96 K101	P73-C99 HydrophobicContact CB-CB 4.13Å; P73-C99 WeakPolarHBondContact CD-O 3.25Å; P73-C99 HydrophobicContact CG-CB 4.23Å; V74-C99 WeakPolarHBondContact CB-O 3.25Å; V74-C99 WeakPolarHBondContact CG1-O 3.38Å; V74-C99 PolarHBondContact N-O 2.93Å; E96-C99 PolarHBondContact O-N 3.18Å; E96-C99 PolarHBondContact O-SG 3.49Å; C99-K101 VanDerWaalsContact SG-CG 3.55Å
100	G	83.2	Confident	88.9	Confident	8 Å²	8	13.9 Å²	13.9	8%	0.082	8%	0.079	C	C	.	.	S	Bend	trans	98.2	8.7	174	0	0	0	0	0	116.1	G98 S102 T103 Q104	G98-G100 PolarHBondContact O-N 3.45Å; G100-S102 PolarHBondContact O-N 3.31Å; G100-T103 PolarHBondContact O-N 3.35Å; G100-T103 PolarHBondContact O-OG1 2.9Å; G100-Q104 VanDerWaalsContact O-CB 3.27Å; G100-Q104 WeakPolarHBondContact O-CB 3.43Å; G100-Q104 WeakPolarHBondContact O-CG 3.39Å; G100-Q104 PolarHBondContact O-N 3.07Å
101	K	89	Confident	88.7	Confident	6 Å²	6	17.2 Å²	17.2	3%	0.026	9%	0.094	C	C	.	.	H	α-helix	trans	-47.9	-59	-179.4	-65.9	-175.8	-49.6	-63.9	0	113	L93 G95 E96 C99 T103 V105 M228	L93-K101 HydrophobicContact CD2-CB 4.48Å; L93-K101 HydrophobicContact CD2-CD 4.1Å; L93-K101 HydrophobicContact CD2-CG 3.89Å; L93-K101 HydrophobicContact CG-CD 4.04Å; L93-K101 HydrophobicContact CG-CG 4.33Å; G95-K101 WeakPolarHBondContact O-CE 3.35Å; G95-K101 PolarHBondContact O-NZ 3.26Å; E96-K101 PolarHBondContact O-NZ 3.39Å; E96-K101 VanDerWaalsContact O-NZ 3.13Å; C99-K101 VanDerWaalsContact SG-CG 3.55Å; K101-T103 PolarHBondContact O-N 3.39Å; K101-V105 VanDerWaalsContact O-CB 3.28Å; K101-V105 WeakPolarHBondContact O-CB 3.21Å; K101-V105 WeakPolarHBondContact O-CG2 3.23Å; K101-V105 PolarHBondContact O-N 2.95Å; K101-M228 HydrophobicContact CB-CE 4.09Å; K101-M228 HydrophobicContact CB-SD 3.79Å; K101-M228 HydrophobicContact CD-CB 4.3Å
102	S	91.1	Very high	88.5	Confident	11 Å²	11	19.3 Å²	19.3	8%	0.077	11%	0.109	C	C	.	.	H	α-helix	trans	-66	-19.1	-173.1	-39.9	0	0	0	0	114.4	G100 Y167 D192	G100-S102 PolarHBondContact O-N 3.31Å; S102-Y167 PolarHBondContact O-OH 3.04Å; S102-D192 WeakPolarHBondContact CA-OD2 3.11Å; S102-D192 WeakPolarHBondContact CB-OD2 3.05Å; S102-D192 PolarHBondContact OG-OD2 3.17Å
103	T	91.6	Very high	88.3	Confident	17 Å²	17	23.2 Å²	23.2	10%	0.104	14%	0.135	C	C	.	.	H	α-helix	trans	-107.3	-48	179.7	57.2	0	0	0	0	112.4	G100 K101 Q107 L133 R136 V137	G100-T103 PolarHBondContact O-N 3.35Å; G100-T103 PolarHBondContact O-OG1 2.9Å; K101-T103 PolarHBondContact O-N 3.39Å; T103-Q107 WeakPolarHBondContact O-CG 3.49Å; T103-Q107 PolarHBondContact O-NE2 3.01Å; T103-L133 HydrophobicContact CG2-CD2 3.74Å; T103-R136 HydrophobicContact CG2-CG 4.06Å; T103-V137 HydrophobicContact CG2-CG2 4.2Å
104	Q	93.3	Very high	88.1	Confident	24 Å²	24	24.7 Å²	24.7	11%	0.112	14%	0.143	C	C	.	.	H	α-helix	trans	-82.1	-38.8	-170.5	-56.7	-58.2	-73.6	0	0	112.4	L72 V74 G100 Q107 M108 E140	L72-Q104 HydrophobicContact CB-CG 4.07Å; L72-Q104 HydrophobicContact CD1-CG 3.69Å; V74-Q104 HydrophobicContact CG1-CB 3.55Å; V74-Q104 HydrophobicContact CG1-CG 3.92Å; G100-Q104 VanDerWaalsContact O-CB 3.27Å; G100-Q104 WeakPolarHBondContact O-CB 3.43Å; G100-Q104 WeakPolarHBondContact O-CG 3.39Å; G100-Q104 PolarHBondContact O-N 3.07Å; Q104-Q107 WeakPolarHBondContact O-CA 3.43Å; Q104-Q107 WeakPolarHBondContact O-CB 3.41Å; Q104-Q107 PolarHBondContact O-N 3.23Å; Q104-M108 HydrophobicContact CB-CE 3.75Å; Q104-M108 WeakPolarHBondContact O-CG 3.31Å; Q104-M108 PolarHBondContact O-N 3.2Å; Q104-E140 PolarHBondContact NE2-OE2 3.45Å
105	V	95.2	Very high	88	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-58.7	-47.7	-177.8	177.5	0	0	0	0	111.4	V74 L81 L93 K101 Q107 M108 L109 I190 M228	V74-V105 HydrophobicContact CG2-CG2 3.96Å; L81-V105 HydrophobicContact CD2-CG1 4.45Å; L81-V105 HydrophobicContact CD2-CG2 3.99Å; L93-V105 HydrophobicContact CD2-CG2 3.67Å; K101-V105 VanDerWaalsContact O-CB 3.28Å; K101-V105 WeakPolarHBondContact O-CB 3.21Å; K101-V105 WeakPolarHBondContact O-CG2 3.23Å; K101-V105 PolarHBondContact O-N 2.95Å; V105-Q107 VanDerWaalsContact C-N 3.26Å; V105-Q107 PolarHBondContact O-N 2.89Å; V105-M108 PolarHBondContact O-N 3.45Å; V105-M108 VanDerWaalsContact O-N 3.16Å; V105-L109 HydrophobicContact CG1-CD1 4.13Å; V105-L109 HydrophobicContact CG1-CG 4.4Å; V105-L109 VanDerWaalsContact O-CG 3.32Å; V105-L109 WeakPolarHBondContact O-CG 3.49Å; V105-L109 PolarHBondContact O-N 3.01Å; V105-I190 HydrophobicContact CG1-CD1 4.12Å; V105-M228 HydrophobicContact CB-SD 4.11Å; V105-M228 HydrophobicContact CG1-SD 4.25Å; V105-M228 HydrophobicContact CG2-SD 4.06Å
106	P	96.4	Very high	88.2	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56.1	-39	173.8	-28.1	38.5	0	0	0	113.5	L109 Y110 I122 I165 I190	P106-L109 PolarHBondContact O-N 3.01Å; P106-Y110 WeakPolarHBondContact O-CB 3.24Å; P106-Y110 PolarHBondContact O-N 3.33Å; P106-I122 HydrophobicContact CB-CD1 4.03Å; P106-I122 HydrophobicContact CB-CG1 4.33Å; P106-I122 HydrophobicContact CG-CD1 4.01Å; P106-I122 HydrophobicContact CG-CG1 3.77Å; P106-I165 HydrophobicContact CB-CG2 4.02Å; P106-I190 HydrophobicContact CG-CD1 3.93Å
107	Q	96.2	Very high	88.9	Confident	14 Å²	14	32.5 Å²	32.5	7%	0.065	19%	0.191	C	C	.	.	H	α-helix	trans	-66.1	-44.1	177.2	-63	177.9	59	0	0	111.4	T103 Q104 V105 L109 Y110 E111 V137 E140 M141	T103-Q107 WeakPolarHBondContact O-CG 3.49Å; T103-Q107 PolarHBondContact O-NE2 3.01Å; Q104-Q107 WeakPolarHBondContact O-CA 3.43Å; Q104-Q107 WeakPolarHBondContact O-CB 3.41Å; Q104-Q107 PolarHBondContact O-N 3.23Å; V105-Q107 VanDerWaalsContact C-N 3.26Å; V105-Q107 PolarHBondContact O-N 2.89Å; Q107-L109 VanDerWaalsContact C-N 3.31Å; Q107-L109 PolarHBondContact O-N 3.49Å; Q107-Y110 PolarHBondContact O-N 3.16Å; Q107-E111 WeakPolarHBondContact O-CB 3.29Å; Q107-E111 WeakPolarHBondContact O-CG 3.39Å; Q107-E111 PolarHBondContact O-N 2.92Å; Q107-V137 HydrophobicContact CG-CG1 3.84Å; Q107-E140 PolarHBondContact NE2-OE2 3.32Å; Q107-M141 HydrophobicContact CB-SD 4.37Å; Q107-M141 HydrophobicContact CG-CE 4.48Å; Q107-M141 HydrophobicContact CG-CG 3.84Å; Q107-M141 HydrophobicContact CG-SD 3.69Å
108	M	95.1	Very high	90.1	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-61.3	-41.7	177.4	-35.7	-166.3	-177.1	0	0	111.6	V74 R75 Q78 L82 Q104 V105 Y110 C112	V74-M108 HydrophobicContact CB-CE 4.46Å; V74-M108 HydrophobicContact CG1-CE 3.81Å; V74-M108 HydrophobicContact CG2-CE 4.23Å; R75-M108 HydrophobicContact CB-CE 4.26Å; Q78-M108 HydrophobicContact CB-CE 4.48Å; Q78-M108 HydrophobicContact CB-SD 3.6Å; Q78-M108 HydrophobicContact CG-CB 4.36Å; Q78-M108 HydrophobicContact CG-CG 4.37Å; Q78-M108 HydrophobicContact CG-SD 3.62Å; L82-M108 HydrophobicContact CD1-CB 4.43Å; L82-M108 HydrophobicContact CD2-CB 4.14Å; L82-M108 HydrophobicContact CG-CB 4.47Å; Q104-M108 HydrophobicContact CB-CE 3.75Å; Q104-M108 WeakPolarHBondContact O-CG 3.31Å; Q104-M108 PolarHBondContact O-N 3.2Å; V105-M108 PolarHBondContact O-N 3.45Å; V105-M108 VanDerWaalsContact O-N 3.16Å; M108-Y110 VanDerWaalsContact C-N 3.34Å; M108-C112 WeakPolarHBondContact O-CB 3.39Å; M108-C112 PolarHBondContact O-N 2.86Å
109	L	96.3	Very high	91.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.8	-40.5	178	-66	173.6	0	0	0	111.4	L82 I85 V105 P106 Q107 C113 L114 I120 V188 I190	L82-L109 HydrophobicContact CD2-CD2 4.1Å; I85-L109 HydrophobicContact CD1-CD2 3.95Å; I85-L109 HydrophobicContact CG2-CD2 4.01Å; V105-L109 HydrophobicContact CG1-CD1 4.13Å; V105-L109 HydrophobicContact CG1-CG 4.4Å; V105-L109 VanDerWaalsContact O-CG 3.32Å; V105-L109 WeakPolarHBondContact O-CG 3.49Å; V105-L109 PolarHBondContact O-N 3.01Å; P106-L109 PolarHBondContact O-N 3.01Å; Q107-L109 VanDerWaalsContact C-N 3.31Å; Q107-L109 PolarHBondContact O-N 3.49Å; L109-C113 PolarHBondContact O-N 2.99Å; L109-L114 HydrophobicContact CD2-CB 4.49Å; L109-L114 HydrophobicContact CD2-CD1 3.45Å; L109-L114 VanDerWaalsContact CD2-CD1 3.45Å; L109-L114 PolarHBondContact O-N 2.9Å; L109-I120 HydrophobicContact CB-CD1 3.66Å; L109-I120 HydrophobicContact CB-CG1 4.33Å; L109-I120 HydrophobicContact CD1-CG2 4.05Å; L109-V188 HydrophobicContact CD1-CG1 3.97Å; L109-I190 HydrophobicContact CD1-CD1 3.68Å; L109-I190 HydrophobicContact CD1-CG1 4.24Å
110	Y	96	Very high	92.5	Very high	50 Å²	50	32.6 Å²	32.6	20%	0.196	18%	0.182	C	C	.	.	H	α-helix	trans	-64.5	-51.7	175.5	179	-86	0	0	0	111.6	P106 Q107 M108 C112 C113 H115 M141 F143 R164 I165	P106-Y110 WeakPolarHBondContact O-CB 3.24Å; P106-Y110 PolarHBondContact O-N 3.33Å; Q107-Y110 PolarHBondContact O-N 3.16Å; M108-Y110 VanDerWaalsContact C-N 3.34Å; Y110-C112 VanDerWaalsContact C-N 3.27Å; Y110-C112 PolarHBondContact O-N 2.78Å; Y110-C113 WeakPolarHBondContact O-CA 3.17Å; Y110-C113 PolarHBondContact O-N 3.47Å; Y110-H115 AromaticContact CD2-CE1 3.74Å; Y110-H115 AromaticContact CD2-ND1 3.82Å; Y110-H115 AromaticContact CE2-CE1 3.87Å; Y110-H115 PolarHBondContact O-CE1 2.64Å; Y110-H115 VanDerWaalsContact O-CE1 3.3Å; Y110-H115 PolarHBondContact O-ND1 2.78Å; Y110-M141 HydrophobicContact CD1-CE 3.53Å; Y110-M141 HydrophobicContact CE1-CE 3.89Å; Y110-M141 HydrophobicContact CG-CE 4.22Å; Y110-F143 AromaticContact CE1-CE2 3.98Å; Y110-F143 HydrophobicContact CE1-CE2 3.98Å; Y110-F143 AromaticContact CE1-CZ 3.93Å; Y110-F143 HydrophobicContact CE1-CZ 3.93Å; Y110-F143 AromaticContact CZ-CE2 3.92Å; Y110-F143 AromaticContact CZ-CZ 3.95Å; Y110-R164 HydrophobicContact CD2-CB 3.91Å; Y110-R164 HydrophobicContact CE2-CB 3.71Å; Y110-R164 HydrophobicContact CE2-CG 4.19Å; Y110-I165 HydrophobicContact CD2-CD1 4.12Å; Y110-I165 HydrophobicContact CD2-CG1 3.95Å; Y110-I165 HydrophobicContact CG-CD1 4.05Å; Y110-I165 HydrophobicContact CG-CG1 4.32Å
111	E	94.2	Very high	93.3	Very high	85 Å²	85	32.3 Å²	32.3	40%	0.397	18%	0.179	S	C	.	.	H	α-helix	trans	-59.7	-36	-179.4	-71.4	165.4	174.4	0	0	112.5	R75 Q107 C113	R75-E111 IonicContact CZ-OE2 3.99Å; R75-E111 IonicContact NH1-OE1 3.93Å; R75-E111 IonicContact NH1-OE2 3.33Å; R75-E111 PolarHBondContact NH1-OE2 3.07Å; R75-E111 IonicContact NH2-OE1 2.7Å; R75-E111 IonicContact NH2-OE2 2.73Å; R75-E111 PolarHBondContact NH2-OE2 2.9Å; Q107-E111 WeakPolarHBondContact O-CB 3.29Å; Q107-E111 WeakPolarHBondContact O-CG 3.39Å; Q107-E111 PolarHBondContact O-N 2.92Å; E111-C113 PolarHBondContact O-N 3.28Å
112	C	92.5	Very high	93.7	Very high	46 Å²	46	32 Å²	32	31%	0.311	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	12.8	175.6	-73.9	0	0	0	0	114.1	L82 M108 Y110 L114	L82-C112 HydrophobicContact CD1-CB 4.3Å; L82-C112 WeakPolarHBondContact CD1-SG 3.3Å; L82-C112 HydrophobicContact CD2-CB 4.28Å; M108-C112 WeakPolarHBondContact O-CB 3.39Å; M108-C112 PolarHBondContact O-N 2.86Å; Y110-C112 VanDerWaalsContact C-N 3.27Å; Y110-C112 PolarHBondContact O-N 2.78Å; C112-L114 PolarHBondContact O-N 3.08Å
113	C	90.7	Very high	94	Very high	82 Å²	82	31.5 Å²	31.5	55%	0.554	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	27.8	175.7	-59.5	0	0	0	0	114.3	L109 Y110 E111 H115 C116	L109-C113 PolarHBondContact O-N 2.99Å; Y110-C113 WeakPolarHBondContact O-CA 3.17Å; Y110-C113 PolarHBondContact O-N 3.47Å; E111-C113 PolarHBondContact O-N 3.28Å; C113-H115 PolarHBondContact O-N 3.35Å; C113-C116 PolarHBondContact O-N 2.74Å; C113-C116 VanDerWaalsContact O-N 3.11Å
114	L	89.2	Confident	94.2	Very high	31 Å²	31	30.7 Å²	30.7	16%	0.162	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-10.7	176.7	-78.9	174.5	0	0	0	113.2	L82 I85 K86 L109 C112 S187 V188	L82-L114 HydrophobicContact CD2-CD1 4.3Å; I85-L114 HydrophobicContact CG2-CD1 4.13Å; K86-L114 HydrophobicContact CG-CD1 4.33Å; K86-L114 HydrophobicContact CG-CD2 4.07Å; L109-L114 HydrophobicContact CD2-CB 4.49Å; L109-L114 HydrophobicContact CD2-CD1 3.45Å; L109-L114 VanDerWaalsContact CD2-CD1 3.45Å; L109-L114 PolarHBondContact O-N 2.9Å; C112-L114 PolarHBondContact O-N 3.08Å; L114-S187 WeakPolarHBondContact O-CB 3.06Å; L114-S187 PolarHBondContact O-OG 3.27Å; L114-V188 HydrophobicContact CB-CG2 4.26Å
115	H	86.4	Confident	94.1	Very high	23 Å²	23	30.9 Å²	30.9	11%	0.106	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-28.4	169.2	61.4	-83.4	0	0	0	112.3	Y110 C113 D117 M118 I120 S187	Y110-H115 AromaticContact CD2-CE1 3.74Å; Y110-H115 AromaticContact CD2-ND1 3.82Å; Y110-H115 AromaticContact CE2-CE1 3.87Å; Y110-H115 PolarHBondContact O-CE1 2.64Å; Y110-H115 VanDerWaalsContact O-CE1 3.3Å; Y110-H115 PolarHBondContact O-ND1 2.78Å; C113-H115 PolarHBondContact O-N 3.35Å; H115-D117 PolarHBondContact O-N 3.27Å; H115-M118 CarbonylContact O-C 3.49Å; H115-M118 WeakPolarHBondContact O-CA 3.38Å; H115-M118 WeakPolarHBondContact O-CB 3.49Å; H115-M118 PolarHBondContact O-N 2.86Å; H115-I120 HydrophobicContact CB-CD1 3.89Å; H115-I120 HydrophobicContact CB-CG1 3.91Å; H115-S187 WeakPolarHBondContact CA-OG 3.26Å
116	C	86.7	Confident	93.7	Very high	79 Å²	79	32.4 Å²	32.4	53%	0.534	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	-122.4	-169.3	-56.4	0	0	0	0	110.8	C113	C113-C116 PolarHBondContact O-N 2.74Å; C113-C116 VanDerWaalsContact O-N 3.11Å
117	D	88.2	Confident	93.3	Very high	150 Å²	150	37 Å²	37	80%	0.802	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	5	172.7	-62.7	-47.5	0	0	0	113.5	H115	H115-D117 PolarHBondContact O-N 3.27Å
118	M	95.9	Very high	92.6	Very high	49 Å²	49	37.4 Å²	37.4	24%	0.241	20%	0.199	C	C	.	.	S	Bend	trans	-100.8	-162.8	-179.7	-69.4	179.8	-85.9	0	0	111.1	H115 R164 R185	H115-M118 CarbonylContact O-C 3.49Å; H115-M118 WeakPolarHBondContact O-CA 3.38Å; H115-M118 WeakPolarHBondContact O-CB 3.49Å; H115-M118 PolarHBondContact O-N 2.86Å; M118-R164 WeakPolarHBondContact O-CD 3.48Å; M118-R185 WeakPolarHBondContact CB-O 3.32Å
119	V	97.5	Very high	92.3	Very high	8 Å²	8	37.5 Å²	37.5	5%	0.048	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.9	-176.5	-177.3	0	0	0	0	111.5	F166 R185 Y186 S187	V119-F166 HydrophobicContact CG1-CB 3.48Å; V119-F166 VanDerWaalsContact CG1-CB 3.48Å; V119-F166 HydrophobicContact CG1-CG 4.43Å; V119-R185 HydrophobicContact CB-CG 4.4Å; V119-R185 HydrophobicContact CG2-CG 3.98Å; V119-R185 PolarHBondContact N-O 2.92Å; V119-Y186 HydrophobicContact CB-CD1 3.9Å; V119-Y186 HydrophobicContact CB-CE1 4.14Å; V119-Y186 HydrophobicContact CG1-CD1 4.02Å; V119-Y186 HydrophobicContact CG1-CE1 3.9Å; V119-Y186 VanDerWaalsContact O-CA 3.29Å; V119-Y186 WeakPolarHBondContact O-CA 3.32Å; V119-S187 PolarHBondContact O-N 3.39Å; V119-S187 VanDerWaalsContact O-N 3.1Å
120	I	98.5	Very high	92.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	107.6	162.2	-60.6	154.4	0	0	0	107.1	L109 H115 I122 R164 F166 V188 I190	L109-I120 HydrophobicContact CB-CD1 3.66Å; L109-I120 HydrophobicContact CB-CG1 4.33Å; L109-I120 HydrophobicContact CD1-CG2 4.05Å; H115-I120 HydrophobicContact CB-CD1 3.89Å; H115-I120 HydrophobicContact CB-CG1 3.91Å; I120-I122 HydrophobicContact CG2-CD1 4.03Å; I120-I122 HydrophobicContact CG2-CG1 4.49Å; I120-R164 PolarHBondContact N-O 3.07Å; I120-F166 PolarHBondContact O-N 3.1Å; I120-V188 WeakPolarHBondContact CA-O 3.27Å; I120-V188 HydrophobicContact CG1-CB 4.39Å; I120-V188 HydrophobicContact CG1-CG2 4.47Å; I120-V188 HydrophobicContact CG2-CB 4.39Å; I120-I190 HydrophobicContact CG2-CD1 4.22Å; I120-I190 HydrophobicContact CG2-CG1 4.42Å
121	G	98.4	Very high	91.8	Very high	1 Å²	1	36 Å²	36	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	134.2	177.1	0	0	0	0	0	110.9	F166 V188 I189 I190	G121-F166 CarbonylContact C-O 3.47Å; G121-F166 WeakPolarHBondContact CA-O 3.39Å; G121-V188 PolarHBondContact N-O 3.48Å; G121-I189 CarbonylContact O-C 3.6Å; G121-I189 WeakPolarHBondContact O-CA 3.29Å; G121-I190 PolarHBondContact O-N 2.94Å
122	I	98.4	Very high	91.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	115.8	176.7	-54.5	91.9	0	0	0	109	P106 I120 I165 F166 Y167 L168 I190 D192	P106-I122 HydrophobicContact CB-CD1 4.03Å; P106-I122 HydrophobicContact CB-CG1 4.33Å; P106-I122 HydrophobicContact CG-CD1 4.01Å; P106-I122 HydrophobicContact CG-CG1 3.77Å; I120-I122 HydrophobicContact CG2-CD1 4.03Å; I120-I122 HydrophobicContact CG2-CG1 4.49Å; I122-I165 HydrophobicContact CD1-CG2 3.73Å; I122-F166 PolarHBondContact N-O 3.3Å; I122-Y167 HydrophobicContact CB-CD1 3.73Å; I122-Y167 HydrophobicContact CB-CE1 3.86Å; I122-Y167 HydrophobicContact CB-CG 4.32Å; I122-Y167 HydrophobicContact CD1-CD2 4.39Å; I122-Y167 HydrophobicContact CD1-CE1 4.36Å; I122-Y167 HydrophobicContact CD1-CE2 4.22Å; I122-Y167 HydrophobicContact CG1-CD1 4.45Å; I122-Y167 HydrophobicContact CG1-CE1 4.19Å; I122-Y167 HydrophobicContact CG2-CD1 3.8Å; I122-Y167 HydrophobicContact CG2-CE1 3.7Å; I122-Y167 CarbonylContact O-C 3.55Å; I122-Y167 WeakPolarHBondContact O-CA 3.41Å; I122-L168 PolarHBondContact O-N 3.3Å; I122-I190 CarbonylContact C-O 3.54Å; I122-I190 WeakPolarHBondContact CA-O 3.43Å; I122-I190 HydrophobicContact CB-CB 4.37Å; I122-I190 HydrophobicContact CG1-CB 4.08Å; I122-I190 HydrophobicContact CG1-CD1 3.8Å; I122-I190 HydrophobicContact CG1-CG1 4.14Å; I122-I190 HydrophobicContact CG2-CB 4.19Å; I122-I190 HydrophobicContact CG2-CG2 4.36Å; I122-D192 HydrophobicContact CG2-CB 4.37Å
123	T	98	Very high	91.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	132.4	178.8	67.1	0	0	0	0	112.2	L168 L173 I190 L191 D192 L204	T123-L168 CarbonylContact C-O 3.6Å; T123-L168 WeakPolarHBondContact CA-O 3.41Å; T123-L168 HydrophobicContact CG2-CG 4.49Å; T123-L173 HydrophobicContact CG2-CB 4.05Å; T123-L173 HydrophobicContact CG2-CD2 3.38Å; T123-L173 HydrophobicContact CG2-CG 4.35Å; T123-I190 PolarHBondContact N-O 2.81Å; T123-I190 PolarHBondContact OG1-O 2.8Å; T123-L191 HydrophobicContact CG2-CD2 4Å; T123-L191 WeakPolarHBondContact OG1-CA 3.36Å; T123-L191 VanDerWaalsContact OG1-CD2 3.31Å; T123-L191 WeakPolarHBondContact OG1-CD2 3.33Å; T123-D192 WeakPolarHBondContact O-CB 3.44Å; T123-D192 PolarHBondContact O-N 2.81Å; T123-L204 HydrophobicContact CG2-CD1 4.01Å
124	E	95.5	Very high	91.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	136.5	175.5	-69.9	-67.3	155.3	0	0	110.5	R126 A129 A130 L133 Y167 L168 T169 E170	E124-R126 PolarHBondContact O-N 2.84Å; E124-A129 HydrophobicContact CB-CB 4.18Å; E124-A129 HydrophobicContact CG-CB 4.2Å; E124-A129 WeakPolarHBondContact OE2-CB 3.45Å; E124-A130 HydrophobicContact CB-CB 4.04Å; E124-A130 HydrophobicContact CG-CB 4.29Å; E124-L133 VanDerWaalsContact CD-CD1 3.44Å; E124-L133 HydrophobicContact CG-CD1 4.03Å; E124-L133 WeakPolarHBondContact OE1-CD1 3.48Å; E124-Y167 HydrophobicContact CG-CD1 4.35Å; E124-L168 PolarHBondContact N-O 3.14Å; E124-T169 VanDerWaalsContact O-CA 3.31Å; E124-T169 WeakPolarHBondContact O-CA 3.45Å; E124-E170 PolarHBondContact O-N 3.36Å
125	P	90.9	Very high	91.9	Very high	28 Å²	28	28.7 Å²	28.7	18%	0.182	15%	0.148	C	C	.	.	S	Bend	trans	-67.4	-22.3	177.7	26.6	-33.8	0	0	0	111.9	E193 E196 T198	P125-E193 HydrophobicContact CG-CB 3.86Å; P125-E196 HydrophobicContact CG-CG 4.31Å; P125-E196 WeakPolarHBondContact CG-OE1 3.39Å; P125-T198 HydrophobicContact CB-CG2 3.74Å
126	R	87.8	Confident	92	Very high	34 Å²	34	34.4 Å²	34.4	13%	0.128	17%	0.169	C	C	.	.	S	Bend	trans	-119	135.5	-173.5	-61.5	-178.3	-171.6	145.9	11.4	112.5	E124 V128 A129 A130 E196 N351 I352 T355	E124-R126 PolarHBondContact O-N 2.84Å; R126-V128 VanDerWaalsContact C-N 3.31Å; R126-V128 HydrophobicContact CB-CG1 4.37Å; R126-V128 PolarHBondContact O-N 3.45Å; R126-A129 HydrophobicContact CB-CB 4.18Å; R126-A129 WeakPolarHBondContact O-CB 3.24Å; R126-A129 PolarHBondContact O-N 2.85Å; R126-A129 VanDerWaalsContact O-N 3.11Å; R126-A130 PolarHBondContact O-N 2.92Å; R126-A130 VanDerWaalsContact O-N 3.11Å; R126-E196 IonicContact CZ-OE1 3.69Å; R126-E196 IonicContact CZ-OE2 3.77Å; R126-E196 IonicContact NE-OE1 2.93Å; R126-E196 IonicContact NE-OE2 3.73Å; R126-E196 PolarHBondContact NE-OE2 2.85Å; R126-E196 IonicContact NH1-OE1 3.49Å; R126-E196 IonicContact NH2-OE1 2.87Å; R126-E196 PolarHBondContact NH2-OE1 3.49Å; R126-E196 IonicContact NH2-OE2 2.83Å; R126-E196 PolarHBondContact NH2-OE2 3.27Å; R126-N351 PolarHBondContact NH1-O 2.71Å; R126-N351 PolarHBondContact NH2-O 3.06Å; R126-I352 PolarHBondContact NH1-O 2.83Å; R126-I352 VanDerWaalsContact NH1-O 3.13Å; R126-T355 PolarHBondContact NH1-OG1 3.29Å; R126-T355 PolarHBondContact NH2-OG1 2.9Å
127	R	87	Confident	92.4	Very high	97 Å²	97	30.6 Å²	30.6	37%	0.366	14%	0.143	S	C	.	.	H	α-helix	trans	-56.5	-42.3	176.3	-63.5	179.3	66.7	-163	-1.4	112.7	A129 I131 V153 R154 T169	R127-A129 VanDerWaalsContact C-N 3.32Å; R127-A129 PolarHBondContact O-N 2.9Å; R127-I131 VanDerWaalsContact O-CG1 3.3Å; R127-I131 WeakPolarHBondContact O-CG1 3.43Å; R127-I131 PolarHBondContact O-N 2.85Å; R127-I131 VanDerWaalsContact O-N 3.15Å; R127-V153 HydrophobicContact CB-CB 4.44Å; R127-V153 HydrophobicContact CB-CG1 4.37Å; R127-V153 HydrophobicContact CG-CB 4.16Å; R127-V153 HydrophobicContact CG-CG1 4.49Å; R127-R154 PolarHBondContact NH2-O 3.37Å; R127-R154 VanDerWaalsContact NH2-O 3.12Å; R127-T169 HydrophobicContact CG-CG2 3.91Å
128	V	82	Confident	92.8	Very high	22 Å²	22	23.5 Å²	23.5	13%	0.133	11%	0.106	C	C	.	.	H	α-helix	trans	-65.3	-37.5	179.5	65.7	0	0	0	0	111.6	R126 S132 Q332 I352	R126-V128 VanDerWaalsContact C-N 3.31Å; R126-V128 HydrophobicContact CB-CG1 4.37Å; R126-V128 PolarHBondContact O-N 3.45Å; V128-S132 VanDerWaalsContact O-CB 3.24Å; V128-S132 WeakPolarHBondContact O-CB 3.49Å; V128-S132 PolarHBondContact O-N 3.09Å; V128-S132 PolarHBondContact O-OG 3.4Å; V128-Q332 VanDerWaalsContact CB-OE1 3.24Å; V128-Q332 HydrophobicContact CG2-CB 4.38Å; V128-I352 HydrophobicContact CG1-CD1 4.07Å; V128-I352 HydrophobicContact CG1-CG1 4.48Å
129	A	87.9	Confident	92.6	Very high	2 Å²	2	27 Å²	27	2%	0.017	13%	0.125	C	C	.	.	H	α-helix	trans	-65.1	-51.7	178.8	0	0	0	0	0	109.7	E124 R126 R127 I131 S132 L133	E124-A129 HydrophobicContact CB-CB 4.18Å; E124-A129 HydrophobicContact CG-CB 4.2Å; E124-A129 WeakPolarHBondContact OE2-CB 3.45Å; R126-A129 HydrophobicContact CB-CB 4.18Å; R126-A129 WeakPolarHBondContact O-CB 3.24Å; R126-A129 PolarHBondContact O-N 2.85Å; R126-A129 VanDerWaalsContact O-N 3.11Å; R127-A129 VanDerWaalsContact C-N 3.32Å; R127-A129 PolarHBondContact O-N 2.9Å; A129-I131 VanDerWaalsContact C-N 3.34Å; A129-I131 PolarHBondContact O-N 3.42Å; A129-S132 PolarHBondContact O-N 2.97Å; A129-S132 PolarHBondContact O-OG 2.84Å; A129-L133 HydrophobicContact CB-CD1 4.27Å; A129-L133 WeakPolarHBondContact O-CB 3.33Å; A129-L133 WeakPolarHBondContact O-CD1 3.27Å; A129-L133 VanDerWaalsContact O-CG 3.23Å; A129-L133 WeakPolarHBondContact O-CG 3.4Å; A129-L133 PolarHBondContact O-N 3.13Å
130	A	92.6	Very high	92.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-52.3	-48.5	176.8	0	0	0	0	0	113.1	E124 R126 A134 V153 Y167	E124-A130 HydrophobicContact CB-CB 4.04Å; E124-A130 HydrophobicContact CG-CB 4.29Å; R126-A130 PolarHBondContact O-N 2.92Å; R126-A130 VanDerWaalsContact O-N 3.11Å; A130-A134 VanDerWaalsContact O-CB 3.3Å; A130-A134 WeakPolarHBondContact O-CB 3.48Å; A130-A134 PolarHBondContact O-N 3.08Å; A130-A134 VanDerWaalsContact O-N 3.16Å; A130-V153 HydrophobicContact CB-CG1 3.78Å; A130-Y167 WeakPolarHBondContact O-CB 3.47Å
131	I	90.5	Very high	92.2	Very high	20 Å²	20	31 Å²	31	10%	0.103	14%	0.144	C	C	.	.	H	α-helix	trans	-67.9	-51.6	-178.4	-64	168.2	0	0	0	111	R127 A129 L133 A134 E135 Y151 V153	R127-I131 VanDerWaalsContact O-CG1 3.3Å; R127-I131 WeakPolarHBondContact O-CG1 3.43Å; R127-I131 PolarHBondContact O-N 2.85Å; R127-I131 VanDerWaalsContact O-N 3.15Å; A129-I131 VanDerWaalsContact C-N 3.34Å; A129-I131 PolarHBondContact O-N 3.42Å; I131-L133 PolarHBondContact O-N 2.99Å; I131-A134 PolarHBondContact O-N 3.46Å; I131-E135 WeakPolarHBondContact O-CG 3.44Å; I131-E135 PolarHBondContact O-N 2.93Å; I131-Y151 HydrophobicContact CB-CE1 4.5Å; I131-Y151 HydrophobicContact CD1-CE2 4.29Å; I131-Y151 HydrophobicContact CG1-CD1 4.35Å; I131-Y151 HydrophobicContact CG1-CD2 3.85Å; I131-Y151 HydrophobicContact CG1-CE1 4.23Å; I131-Y151 HydrophobicContact CG1-CE2 3.75Å; I131-Y151 HydrophobicContact CG1-CG 4.17Å; I131-Y151 HydrophobicContact CG2-CD1 4.44Å; I131-Y151 HydrophobicContact CG2-CE1 4.02Å; I131-V153 HydrophobicContact CD1-CG2 4.22Å; I131-V153 HydrophobicContact CG1-CG1 4.18Å
132	S	87.7	Confident	92	Very high	10 Å²	10	40 Å²	40	7%	0.07	18%	0.183	C	C	.	.	H	α-helix	trans	-70.1	-33.1	-174.3	61.4	0	0	0	0	113.1	V128 A129 R136 L357	V128-S132 VanDerWaalsContact O-CB 3.24Å; V128-S132 WeakPolarHBondContact O-CB 3.49Å; V128-S132 PolarHBondContact O-N 3.09Å; V128-S132 PolarHBondContact O-OG 3.4Å; A129-S132 PolarHBondContact O-N 2.97Å; A129-S132 PolarHBondContact O-OG 2.84Å; S132-R136 WeakPolarHBondContact O-CB 3.38Å; S132-R136 PolarHBondContact O-N 3.15Å; S132-L357 VanDerWaalsContact OG-CD1 3.27Å; S132-L357 WeakPolarHBondContact OG-CD1 3.28Å
133	L	92.3	Very high	91.9	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-69.9	-42.1	174.3	-70.5	167.8	0	0	0	110.8	T103 E124 A129 I131 R136 V137 Y167 L357	T103-L133 HydrophobicContact CG2-CD2 3.74Å; E124-L133 VanDerWaalsContact CD-CD1 3.44Å; E124-L133 HydrophobicContact CG-CD1 4.03Å; E124-L133 WeakPolarHBondContact OE1-CD1 3.48Å; A129-L133 HydrophobicContact CB-CD1 4.27Å; A129-L133 WeakPolarHBondContact O-CB 3.33Å; A129-L133 WeakPolarHBondContact O-CD1 3.27Å; A129-L133 VanDerWaalsContact O-CG 3.23Å; A129-L133 WeakPolarHBondContact O-CG 3.4Å; A129-L133 PolarHBondContact O-N 3.13Å; I131-L133 PolarHBondContact O-N 2.99Å; L133-R136 PolarHBondContact O-N 3.35Å; L133-V137 WeakPolarHBondContact O-CB 3.27Å; L133-V137 WeakPolarHBondContact O-CG2 3.42Å; L133-V137 PolarHBondContact O-N 3.37Å; L133-Y167 HydrophobicContact CB-CD1 3.88Å; L133-Y167 HydrophobicContact CB-CE1 3.58Å; L133-Y167 HydrophobicContact CD1-CD1 4.47Å; L133-Y167 HydrophobicContact CD1-CE1 4.19Å; L133-Y167 HydrophobicContact CG-CE1 4.48Å; L133-L357 HydrophobicContact CD2-CD2 4.22Å
134	A	95	Very high	91.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.3	-47.8	172.7	0	0	0	0	0	111.8	A130 I131 R136 V137 A138 L145 V149 Y151 Y167	A130-A134 VanDerWaalsContact O-CB 3.3Å; A130-A134 WeakPolarHBondContact O-CB 3.48Å; A130-A134 PolarHBondContact O-N 3.08Å; A130-A134 VanDerWaalsContact O-N 3.16Å; I131-A134 PolarHBondContact O-N 3.46Å; A134-R136 VanDerWaalsContact C-N 3.31Å; A134-R136 PolarHBondContact O-N 3.3Å; A134-V137 PolarHBondContact O-N 3.09Å; A134-A138 VanDerWaalsContact O-CB 3.27Å; A134-A138 WeakPolarHBondContact O-CB 3.38Å; A134-A138 PolarHBondContact O-N 3.28Å; A134-L145 HydrophobicContact CB-CD1 3.86Å; A134-V149 HydrophobicContact CB-CG1 4.21Å; A134-V149 WeakPolarHBondContact O-CG1 3.34Å; A134-Y151 HydrophobicContact CB-CD1 4.18Å; A134-Y167 HydrophobicContact CB-CD2 3.67Å; A134-Y167 HydrophobicContact CB-CE2 4.43Å; A134-Y167 HydrophobicContact CB-CG 4.13Å
135	E	92.2	Very high	91.7	Very high	76 Å²	76	49.9 Å²	49.9	36%	0.355	24%	0.239	S	C	.	.	H	α-helix	trans	-57.8	-44.1	174	-80.2	178.3	-173.2	0	0	111.5	I131 N139 L145	I131-E135 WeakPolarHBondContact O-CG 3.44Å; I131-E135 PolarHBondContact O-N 2.93Å; E135-N139 WeakPolarHBondContact O-CB 3.4Å; E135-N139 PolarHBondContact O-N 3.22Å; E135-N139 PolarHBondContact O-ND2 3.11Å; E135-L145 HydrophobicContact CG-CD2 3.69Å
136	R	89.7	Confident	91.9	Very high	142 Å²	142	49.3 Å²	49.3	54%	0.536	24%	0.238	S	C	.	.	H	α-helix	trans	-64.4	-48.4	-179.4	178.8	62	-176.3	-127	-2.9	111.6	T103 S132 L133 A134 N139 E140	T103-R136 HydrophobicContact CG2-CG 4.06Å; S132-R136 WeakPolarHBondContact O-CB 3.38Å; S132-R136 PolarHBondContact O-N 3.15Å; L133-R136 PolarHBondContact O-N 3.35Å; A134-R136 VanDerWaalsContact C-N 3.31Å; A134-R136 PolarHBondContact O-N 3.3Å; R136-N139 PolarHBondContact O-N 3.27Å; R136-E140 IonicContact CZ-OE1 3.41Å; R136-E140 IonicContact NE-OE1 3.22Å; R136-E140 PolarHBondContact NE-OE1 3.49Å; R136-E140 IonicContact NH2-OE1 2.77Å; R136-E140 PolarHBondContact NH2-OE1 3.43Å; R136-E140 WeakPolarHBondContact O-CG 3.5Å; R136-E140 PolarHBondContact O-N 3.09Å
137	V	94.5	Very high	92.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68	-40.5	-179.8	170.7	0	0	0	0	111.4	T103 Q107 L133 A134 N139 E140 M141 V149 I165 Y167	T103-V137 HydrophobicContact CG2-CG2 4.2Å; Q107-V137 HydrophobicContact CG-CG1 3.84Å; L133-V137 WeakPolarHBondContact O-CB 3.27Å; L133-V137 WeakPolarHBondContact O-CG2 3.42Å; L133-V137 PolarHBondContact O-N 3.37Å; A134-V137 PolarHBondContact O-N 3.09Å; V137-N139 VanDerWaalsContact C-N 3.27Å; V137-N139 PolarHBondContact O-N 2.99Å; V137-E140 PolarHBondContact O-N 3.05Å; V137-M141 HydrophobicContact CG1-CG 4.13Å; V137-M141 HydrophobicContact CG1-SD 3.99Å; V137-M141 WeakPolarHBondContact O-CB 3.29Å; V137-M141 WeakPolarHBondContact O-CG 2.98Å; V137-M141 PolarHBondContact O-N 2.94Å; V137-V149 HydrophobicContact CG1-CG2 4.2Å; V137-I165 HydrophobicContact CG1-CD1 4.15Å; V137-Y167 HydrophobicContact CB-CE2 4.34Å; V137-Y167 HydrophobicContact CG2-CE2 4.3Å; V137-Y167 VanDerWaalsContact CG2-OH 3.24Å; V137-Y167 WeakPolarHBondContact CG2-OH 3.27Å
138	A	95.9	Very high	92.8	Very high	1 Å²	1	50 Å²	50	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-55.4	-45.7	172.4	0	0	0	0	0	111.1	A134 K142 F143 L145 V149	A134-A138 VanDerWaalsContact O-CB 3.27Å; A134-A138 WeakPolarHBondContact O-CB 3.38Å; A134-A138 PolarHBondContact O-N 3.28Å; A138-K142 CarbonylContact O-C 3.52Å; A138-K142 PolarHBondContact O-N 3.05Å; A138-F143 PolarHBondContact O-N 3.03Å; A138-L145 HydrophobicContact CB-CB 4.23Å; A138-L145 HydrophobicContact CB-CD1 4.28Å; A138-V149 HydrophobicContact CB-CB 3.99Å; A138-V149 HydrophobicContact CB-CG1 4.15Å; A138-V149 HydrophobicContact CB-CG2 4.4Å
139	N	92.6	Very high	93.6	Very high	122 Å²	122	48.9 Å²	48.9	65%	0.652	24%	0.237	S	C	*	.	H	α-helix	trans	-66.7	-43.8	177.6	-71.9	-42.9	0	0	0	113.2	E135 R136 V137 M141 K142	E135-N139 WeakPolarHBondContact O-CB 3.4Å; E135-N139 PolarHBondContact O-N 3.22Å; E135-N139 PolarHBondContact O-ND2 3.11Å; R136-N139 PolarHBondContact O-N 3.27Å; V137-N139 VanDerWaalsContact C-N 3.27Å; V137-N139 PolarHBondContact O-N 2.99Å; N139-M141 VanDerWaalsContact C-N 3.33Å; N139-M141 PolarHBondContact O-N 3.2Å; N139-K142 PolarHBondContact O-N 2.77Å
140	E	92.4	Very high	94	Very high	59 Å²	59	48.8 Å²	48.8	28%	0.276	24%	0.236	S	C	.	.	H	α-helix	trans	-62.1	-41	178.4	-76.1	-178.4	175.9	0	0	111.8	Q104 Q107 R136 V137 K142	Q104-E140 PolarHBondContact NE2-OE2 3.45Å; Q107-E140 PolarHBondContact NE2-OE2 3.32Å; R136-E140 IonicContact CZ-OE1 3.41Å; R136-E140 IonicContact NE-OE1 3.22Å; R136-E140 PolarHBondContact NE-OE1 3.49Å; R136-E140 IonicContact NH2-OE1 2.77Å; R136-E140 PolarHBondContact NH2-OE1 3.43Å; R136-E140 WeakPolarHBondContact O-CG 3.5Å; R136-E140 PolarHBondContact O-N 3.09Å; V137-E140 PolarHBondContact O-N 3.05Å; E140-K142 VanDerWaalsContact C-N 3.29Å; E140-K142 PolarHBondContact O-N 2.9Å
141	M	94.7	Very high	94.3	Very high	32 Å²	32	49.7 Å²	49.7	16%	0.158	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-3.4	178	-61.6	-164.1	80.8	0	0	113.9	Q107 Y110 V137 N139 F143 I165	Q107-M141 HydrophobicContact CB-SD 4.37Å; Q107-M141 HydrophobicContact CG-CE 4.48Å; Q107-M141 HydrophobicContact CG-CG 3.84Å; Q107-M141 HydrophobicContact CG-SD 3.69Å; Y110-M141 HydrophobicContact CD1-CE 3.53Å; Y110-M141 HydrophobicContact CE1-CE 3.89Å; Y110-M141 HydrophobicContact CG-CE 4.22Å; V137-M141 HydrophobicContact CG1-CG 4.13Å; V137-M141 HydrophobicContact CG1-SD 3.99Å; V137-M141 WeakPolarHBondContact O-CB 3.29Å; V137-M141 WeakPolarHBondContact O-CG 2.98Å; V137-M141 PolarHBondContact O-N 2.94Å; N139-M141 VanDerWaalsContact C-N 3.33Å; N139-M141 PolarHBondContact O-N 3.2Å; M141-F143 HydrophobicContact CB-CD2 3.56Å; M141-F143 HydrophobicContact CB-CE2 3.81Å; M141-F143 HydrophobicContact CB-CG 4.03Å; M141-F143 HydrophobicContact CB-CZ 4.43Å; M141-F143 HydrophobicContact CE-CD2 4.4Å; M141-F143 HydrophobicContact CE-CE2 3.57Å; M141-F143 HydrophobicContact CE-CZ 4.09Å; M141-F143 HydrophobicContact CG-CD2 4.39Å; M141-F143 HydrophobicContact CG-CE2 4.41Å; M141-F143 PolarHBondContact O-N 3.28Å; M141-F143 HydrophobicContact SD-CD2 3.98Å; M141-F143 HydrophobicContact SD-CE2 3.69Å; M141-I165 HydrophobicContact SD-CD1 3.62Å
142	K	94.8	Very high	94.6	Very high	192 Å²	192	48.8 Å²	48.8	84%	0.835	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	34.8	-174.2	-51.7	177	-178.1	175.1	0	113.3	A138 N139 E140	A138-K142 CarbonylContact O-C 3.52Å; A138-K142 PolarHBondContact O-N 3.05Å; N139-K142 PolarHBondContact O-N 2.77Å; E140-K142 VanDerWaalsContact C-N 3.29Å; E140-K142 PolarHBondContact O-N 2.9Å
143	F	95.5	Very high	94.8	Very high	53 Å²	53	48.3 Å²	48.3	23%	0.232	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-96.9	158.8	173.6	-65	-29.5	0	0	0	112.1	Y110 A138 M141 E148 V149	Y110-F143 AromaticContact CE1-CE2 3.98Å; Y110-F143 HydrophobicContact CE1-CE2 3.98Å; Y110-F143 AromaticContact CE1-CZ 3.93Å; Y110-F143 HydrophobicContact CE1-CZ 3.93Å; Y110-F143 AromaticContact CZ-CE2 3.92Å; Y110-F143 AromaticContact CZ-CZ 3.95Å; A138-F143 PolarHBondContact O-N 3.03Å; M141-F143 HydrophobicContact CB-CD2 3.56Å; M141-F143 HydrophobicContact CB-CE2 3.81Å; M141-F143 HydrophobicContact CB-CG 4.03Å; M141-F143 HydrophobicContact CB-CZ 4.43Å; M141-F143 HydrophobicContact CE-CD2 4.4Å; M141-F143 HydrophobicContact CE-CE2 3.57Å; M141-F143 HydrophobicContact CE-CZ 4.09Å; M141-F143 HydrophobicContact CG-CD2 4.39Å; M141-F143 HydrophobicContact CG-CE2 4.41Å; M141-F143 PolarHBondContact O-N 3.28Å; M141-F143 HydrophobicContact SD-CD2 3.98Å; M141-F143 HydrophobicContact SD-CE2 3.69Å; F143-E148 HydrophobicContact CD2-CB 3.77Å; F143-E148 HydrophobicContact CD2-CG 4.37Å; F143-E148 HydrophobicContact CE2-CB 4.03Å; F143-E148 HydrophobicContact CE2-CG 4.37Å; F143-E148 HydrophobicContact CG-CB 4.13Å; F143-E148 HydrophobicContact CG-CG 4.46Å; F143-V149 HydrophobicContact CD2-CG2 3.91Å
144	C	93.2	Very high	94.6	Very high	95 Å²	95	52.2 Å²	52.2	64%	0.642	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-82.7	125.4	169.5	-65.9	0	0	0	0	109.7	G146 Y147	C144-G146 PolarHBondContact O-N 3.03Å; C144-Y147 PolarHBondContact O-N 3.37Å
145	L	95.8	Very high	94.1	Very high	59 Å²	59	52.6 Å²	52.6	31%	0.309	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-58.2	129.7	171.9	-174.3	72.5	0	0	0	110.1	A134 E135 A138 V149 Y151 V158	A134-L145 HydrophobicContact CB-CD1 3.86Å; E135-L145 HydrophobicContact CG-CD2 3.69Å; A138-L145 HydrophobicContact CB-CB 4.23Å; A138-L145 HydrophobicContact CB-CD1 4.28Å; L145-V149 HydrophobicContact CD1-CG1 4.43Å; L145-Y151 HydrophobicContact CD1-CD1 4.36Å; L145-Y151 HydrophobicContact CD2-CD1 4.38Å; L145-Y151 HydrophobicContact CD2-CE1 4.06Å; L145-V158 HydrophobicContact CD2-CG1 4.42Å; L145-V158 HydrophobicContact CG-CG1 4.08Å
146	G	96.2	Very high	93.9	Very high	15 Å²	15	50.8 Å²	50.8	16%	0.155	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	-14.2	-175.3	0	0	0	0	0	114.5	C144 V149 A159 S160	C144-G146 PolarHBondContact O-N 3.03Å; G146-V149 PolarHBondContact N-O 2.95Å; G146-A159 CarbonylContact O-C 3.54Å; G146-S160 VanDerWaalsContact O-CB 3.25Å; G146-S160 WeakPolarHBondContact O-CB 3.36Å; G146-S160 PolarHBondContact O-N 3.2Å; G146-S160 VanDerWaalsContact O-N 3.1Å; G146-S160 PolarHBondContact O-OG 3Å
147	Y	96.7	Very high	94.1	Very high	103 Å²	103	49.1 Å²	49.1	40%	0.404	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-91.6	173.9	-157.6	-121.4	0	0	0	110.3	C144 S160 H162 T163	C144-Y147 PolarHBondContact O-N 3.37Å; Y147-S160 PolarHBondContact O-OG 3.45Å; Y147-H162 HydrophobicContact CD1-CB 4.46Å; Y147-H162 HydrophobicContact CD2-CB 3.95Å; Y147-H162 AromaticContact CD2-CD2 4Å; Y147-H162 HydrophobicContact CE1-CB 4.17Å; Y147-H162 HydrophobicContact CE2-CB 3.68Å; Y147-H162 AromaticContact CE2-CD2 3.1Å; Y147-H162 WeakPolarHBondContact CE2-CD2 3.3Å; Y147-H162 AromaticContact CE2-CG 3.44Å; Y147-H162 VanDerWaalsContact CE2-CG 3.44Å; Y147-H162 AromaticContact CE2-NE2 3.82Å; Y147-H162 HydrophobicContact CG-CB 4.32Å; Y147-H162 AromaticContact CZ-CD2 3.46Å; Y147-H162 VanDerWaalsContact CZ-CD2 3.46Å; Y147-H162 AromaticContact CZ-CG 3.43Å; Y147-H162 VanDerWaalsContact CZ-CG 3.43Å; Y147-H162 AromaticContact CZ-ND1 3.9Å; Y147-H162 AromaticContact CZ-NE2 3.91Å; Y147-H162 CarbonylContact O-C 3.51Å; Y147-H162 VanDerWaalsContact O-C 3.27Å; Y147-H162 PolarHBondContact OH-CD2 3.14Å; Y147-H162 PolarHBondContact OH-CE1 3.17Å; Y147-H162 PolarHBondContact OH-ND1 3.43Å; Y147-H162 PolarHBondContact OH-NE2 2.87Å; Y147-T163 WeakPolarHBondContact O-CA 3.44Å; Y147-T163 WeakPolarHBondContact O-CB 3.33Å; Y147-T163 PolarHBondContact O-N 3.18Å; Y147-T163 PolarHBondContact O-OG1 3.48Å
148	E	96.3	Very high	94.1	Very high	42 Å²	42	51.3 Å²	51.3	20%	0.196	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-31.8	177.7	-64	84.6	174.2	0	0	114.1	F143 T163 R164 I165	F143-E148 HydrophobicContact CD2-CB 3.77Å; F143-E148 HydrophobicContact CD2-CG 4.37Å; F143-E148 HydrophobicContact CE2-CB 4.03Å; F143-E148 HydrophobicContact CE2-CG 4.37Å; F143-E148 HydrophobicContact CG-CB 4.13Å; F143-E148 HydrophobicContact CG-CG 4.46Å; E148-T163 WeakPolarHBondContact O-CA 3.38Å; E148-R164 PolarHBondContact O-N 3.14Å; E148-I165 PolarHBondContact O-N 3.12Å
149	V	98.1	Very high	94.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127	177.7	-179.9	0	0	0	0	108.2	A134 V137 A138 F143 L145 G146 I165	A134-V149 HydrophobicContact CB-CG1 4.21Å; A134-V149 WeakPolarHBondContact O-CG1 3.34Å; V137-V149 HydrophobicContact CG1-CG2 4.2Å; A138-V149 HydrophobicContact CB-CB 3.99Å; A138-V149 HydrophobicContact CB-CG1 4.15Å; A138-V149 HydrophobicContact CB-CG2 4.4Å; F143-V149 HydrophobicContact CD2-CG2 3.91Å; L145-V149 HydrophobicContact CD1-CG1 4.43Å; G146-V149 PolarHBondContact N-O 2.95Å; V149-I165 WeakPolarHBondContact CA-O 3.48Å; V149-I165 HydrophobicContact CG1-CG2 4.42Å; V149-I165 HydrophobicContact CG2-CB 4.11Å; V149-I165 HydrophobicContact CG2-CD1 4.25Å
150	G	98	Very high	94.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	173.7	-179.2	0	0	0	0	0	112.7	V158 I165 Y167	G150-V158 CarbonylContact C-O 3.43Å; G150-V158 WeakPolarHBondContact CA-O 3.48Å; G150-I165 PolarHBondContact N-O 2.93Å; G150-Y167 PolarHBondContact O-N 3.3Å
151	Y	97.7	Very high	94.4	Very high	18 Å²	18	53.3 Å²	53.3	7%	0.071	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	154.6	169.4	71.2	-100.6	0	0	0	113.3	I131 A134 L145 V153 D156 E157 V158 Y167	I131-Y151 HydrophobicContact CB-CE1 4.5Å; I131-Y151 HydrophobicContact CD1-CE2 4.29Å; I131-Y151 HydrophobicContact CG1-CD1 4.35Å; I131-Y151 HydrophobicContact CG1-CD2 3.85Å; I131-Y151 HydrophobicContact CG1-CE1 4.23Å; I131-Y151 HydrophobicContact CG1-CE2 3.75Å; I131-Y151 HydrophobicContact CG1-CG 4.17Å; I131-Y151 HydrophobicContact CG2-CD1 4.44Å; I131-Y151 HydrophobicContact CG2-CE1 4.02Å; A134-Y151 HydrophobicContact CB-CD1 4.18Å; L145-Y151 HydrophobicContact CD1-CD1 4.36Å; L145-Y151 HydrophobicContact CD2-CD1 4.38Å; L145-Y151 HydrophobicContact CD2-CE1 4.06Å; Y151-V153 HydrophobicContact CD2-CG1 4.22Å; Y151-V153 HydrophobicContact CD2-CG2 4.47Å; Y151-V153 HydrophobicContact CE2-CG2 4.35Å; Y151-D156 HydrophobicContact CE2-CB 4.49Å; Y151-D156 PolarHBondContact OH-OD2 3.48Å; Y151-E157 WeakPolarHBondContact O-CA 3.37Å; Y151-V158 HydrophobicContact CD1-CB 4.14Å; Y151-V158 HydrophobicContact CE1-CB 3.74Å; Y151-V158 HydrophobicContact CE1-CG2 3.73Å; Y151-V158 HydrophobicContact CE2-CB 4.45Å; Y151-V158 HydrophobicContact CE2-CG2 4.17Å; Y151-V158 VanDerWaalsContact CZ-CG2 3.48Å; Y151-V158 PolarHBondContact N-O 3.46Å; Y151-V158 PolarHBondContact O-N 2.95Å; Y151-V158 WeakPolarHBondContact OH-CG2 3.41Å; Y151-Y167 CarbonylContact C-O 3.4Å; Y151-Y167 WeakPolarHBondContact CA-O 3.16Å; Y151-Y167 VanDerWaalsContact CB-O 3.29Å; Y151-Y167 WeakPolarHBondContact CB-O 3.41Å
152	S	96.4	Very high	94.4	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.007	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	116.5	167.4	-173.3	0	0	0	0	111.7	E157 Y167 L168 T169 M172	S152-E157 WeakPolarHBondContact CB-OE2 3.12Å; S152-E157 PolarHBondContact OG-OE2 3.48Å; S152-Y167 PolarHBondContact N-O 2.75Å; S152-L168 WeakPolarHBondContact O-CA 3.5Å; S152-L168 WeakPolarHBondContact O-CB 3.4Å; S152-T169 PolarHBondContact O-N 3.26Å; S152-T169 VanDerWaalsContact O-N 3.09Å; S152-M172 WeakPolarHBondContact OG-CE 3.34Å
153	V	92.6	Very high	94.6	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	165.2	174.4	-54.7	0	0	0	0	109.3	R127 A130 I131 Y151 F155 D156 T169	R127-V153 HydrophobicContact CB-CB 4.44Å; R127-V153 HydrophobicContact CB-CG1 4.37Å; R127-V153 HydrophobicContact CG-CB 4.16Å; R127-V153 HydrophobicContact CG-CG1 4.49Å; A130-V153 HydrophobicContact CB-CG1 3.78Å; I131-V153 HydrophobicContact CD1-CG2 4.22Å; I131-V153 HydrophobicContact CG1-CG1 4.18Å; Y151-V153 HydrophobicContact CD2-CG1 4.22Å; Y151-V153 HydrophobicContact CD2-CG2 4.47Å; Y151-V153 HydrophobicContact CE2-CG2 4.35Å; V153-F155 PolarHBondContact O-N 3.45Å; V153-D156 CarbonylContact C-O 3.48Å; V153-D156 HydrophobicContact CG2-CB 3.82Å; V153-D156 WeakPolarHBondContact CG2-O 3.46Å; V153-D156 PolarHBondContact N-O 3.47Å; V153-D156 CarbonylContact O-C 3.48Å; V153-D156 PolarHBondContact O-N 3.37Å; V153-T169 HydrophobicContact CB-CG2 4.19Å; V153-T169 HydrophobicContact CG1-CG2 3.92Å
154	R	87.9	Confident	94.7	Very high	86 Å²	86	47.3 Å²	47.3	33%	0.325	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	121.4	177.1	-163.3	-176.9	170.3	-168.6	-13.2	111	R127 D156 P498 V499	R127-R154 PolarHBondContact NH2-O 3.37Å; R127-R154 VanDerWaalsContact NH2-O 3.12Å; R154-D156 VanDerWaalsContact C-N 3.33Å; R154-D156 PolarHBondContact O-N 2.92Å; R154-P498 HydrophobicContact CG-CB 4.42Å; R154-P498 PolarHBondContact NE-O 3.26Å; R154-P498 PolarHBondContact NH2-O 3.48Å; R154-V499 VanDerWaalsContact NH2-CA 3.33Å
155	F	85.2	Confident	94.9	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.035	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	16.6	-178.7	-41.4	-73.3	0	0	0	117.5	V153 P498 V499 M589 I593 Q596	V153-F155 PolarHBondContact O-N 3.45Å; F155-P498 HydrophobicContact CD1-CG 4.39Å; F155-P498 HydrophobicContact CE1-CG 3.75Å; F155-P498 HydrophobicContact CZ-CG 4.4Å; F155-V499 HydrophobicContact CZ-CG1 4.29Å; F155-M589 HydrophobicContact CB-CE 3.66Å; F155-M589 HydrophobicContact CD2-CE 3.97Å; F155-M589 HydrophobicContact CG-CE 4.26Å; F155-I593 HydrophobicContact CB-CG1 4.08Å; F155-I593 HydrophobicContact CD1-CB 4.35Å; F155-I593 HydrophobicContact CD1-CG1 4.09Å; F155-I593 HydrophobicContact CD1-CG2 4.14Å; F155-I593 HydrophobicContact CD2-CB 4.5Å; F155-I593 HydrophobicContact CD2-CD1 3.81Å; F155-I593 HydrophobicContact CD2-CG1 3.51Å; F155-I593 HydrophobicContact CD2-CG2 4.45Å; F155-I593 HydrophobicContact CE1-CB 4.4Å; F155-I593 HydrophobicContact CE1-CG1 4.37Å; F155-I593 HydrophobicContact CE1-CG2 3.7Å; F155-I593 HydrophobicContact CE2-CD1 3.83Å; F155-I593 HydrophobicContact CE2-CG1 3.8Å; F155-I593 HydrophobicContact CE2-CG2 4.01Å; F155-I593 HydrophobicContact CG-CB 4.41Å; F155-I593 HydrophobicContact CG-CD1 4.46Å; F155-I593 HydrophobicContact CG-CG1 3.66Å; F155-I593 HydrophobicContact CZ-CB 4.47Å; F155-I593 HydrophobicContact CZ-CG1 4.23Å; F155-I593 HydrophobicContact CZ-CG2 3.62Å; F155-Q596 VanDerWaalsContact C-NE2 3.25Å; F155-Q596 VanDerWaalsContact CA-OE1 3.26Å; F155-Q596 HydrophobicContact CD1-CB 4.37Å; F155-Q596 PolarHBondContact O-NE2 3.5Å
156	D	87.7	Confident	95	Very high	37 Å²	37	40 Å²	40	20%	0.198	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	129.3	175	-156.6	58.7	0	0	0	110.1	Y151 V153 R154 K592	Y151-D156 HydrophobicContact CE2-CB 4.49Å; Y151-D156 PolarHBondContact OH-OD2 3.48Å; V153-D156 CarbonylContact C-O 3.48Å; V153-D156 HydrophobicContact CG2-CB 3.82Å; V153-D156 WeakPolarHBondContact CG2-O 3.46Å; V153-D156 PolarHBondContact N-O 3.47Å; V153-D156 CarbonylContact O-C 3.48Å; V153-D156 PolarHBondContact O-N 3.37Å; R154-D156 VanDerWaalsContact C-N 3.33Å; R154-D156 PolarHBondContact O-N 2.92Å; D156-K592 IonicContact OD1-NZ 3.88Å; D156-K592 PolarHBondContact OD1-NZ 3.01Å
157	E	93.5	Very high	95.1	Very high	108 Å²	108	39.2 Å²	39.2	51%	0.505	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	136.2	-180	-178	167.1	132.2	0	0	109.8	Y151 S152 A159	Y151-E157 WeakPolarHBondContact O-CA 3.37Å; S152-E157 WeakPolarHBondContact CB-OE2 3.12Å; S152-E157 PolarHBondContact OG-OE2 3.48Å; E157-A159 HydrophobicContact CG-CB 4.33Å
158	V	95.8	Very high	95.2	Very high	45 Å²	45	34.4 Å²	34.4	27%	0.273	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	96.2	176.2	177.9	0	0	0	0	107.1	L145 G150 Y151	L145-V158 HydrophobicContact CD2-CG1 4.42Å; L145-V158 HydrophobicContact CG-CG1 4.08Å; G150-V158 CarbonylContact C-O 3.43Å; G150-V158 WeakPolarHBondContact CA-O 3.48Å; Y151-V158 HydrophobicContact CD1-CB 4.14Å; Y151-V158 HydrophobicContact CE1-CB 3.74Å; Y151-V158 HydrophobicContact CE1-CG2 3.73Å; Y151-V158 HydrophobicContact CE2-CB 4.45Å; Y151-V158 HydrophobicContact CE2-CG2 4.17Å; Y151-V158 VanDerWaalsContact CZ-CG2 3.48Å; Y151-V158 PolarHBondContact N-O 3.46Å; Y151-V158 PolarHBondContact O-N 2.95Å; Y151-V158 WeakPolarHBondContact OH-CG2 3.41Å
159	A	96.5	Very high	95.2	Very high	34 Å²	34	33.1 Å²	33.1	28%	0.281	17%	0.168	S	C	.	.			trans	-157.4	169.3	-178.2	0	0	0	0	0	110.9	G146 E157 F166	G146-A159 CarbonylContact O-C 3.54Å; E157-A159 HydrophobicContact CG-CB 4.33Å; A159-F166 HydrophobicContact CB-CD2 4.35Å; A159-F166 HydrophobicContact CB-CE2 3.73Å; A159-F166 HydrophobicContact CB-CZ 4.46Å
160	S	95.9	Very high	95.1	Very high	37 Å²	37	33.5 Å²	33.5	26%	0.259	17%	0.17	S	C	.	.			trans	-144.6	177.1	172.5	66.4	0	0	0	0	110.2	G146 Y147 H162 T163	G146-S160 VanDerWaalsContact O-CB 3.25Å; G146-S160 WeakPolarHBondContact O-CB 3.36Å; G146-S160 PolarHBondContact O-N 3.2Å; G146-S160 VanDerWaalsContact O-N 3.1Å; G146-S160 PolarHBondContact O-OG 3Å; Y147-S160 PolarHBondContact O-OG 3.45Å; S160-H162 PolarHBondContact O-N 3.08Å; S160-H162 VanDerWaalsContact O-N 3.15Å; S160-H162 PolarHBondContact OG-N 3.15Å; S160-T163 PolarHBondContact N-OG1 3.39Å; S160-T163 VanDerWaalsContact O-CB 3.31Å; S160-T163 WeakPolarHBondContact O-CB 3.49Å; S160-T163 PolarHBondContact O-N 2.9Å; S160-T163 PolarHBondContact O-OG1 3.19Å; S160-T163 VanDerWaalsContact O-OG1 3.12Å
161	D	94.3	Very high	94.9	Very high	153 Å²	153	34.4 Å²	34.4	82%	0.818	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.4	175	-59.1	-28.7	0	0	0	112.8	R164	D161-R164 PolarHBondContact O-NH1 3.2Å
162	H	95.2	Very high	94.8	Very high	95 Å²	95	35 Å²	35	44%	0.44	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-4.7	176	-62.2	-79.9	0	0	0	113.4	Y147 S160 R164	Y147-H162 HydrophobicContact CD1-CB 4.46Å; Y147-H162 HydrophobicContact CD2-CB 3.95Å; Y147-H162 AromaticContact CD2-CD2 4Å; Y147-H162 HydrophobicContact CE1-CB 4.17Å; Y147-H162 HydrophobicContact CE2-CB 3.68Å; Y147-H162 AromaticContact CE2-CD2 3.1Å; Y147-H162 WeakPolarHBondContact CE2-CD2 3.3Å; Y147-H162 AromaticContact CE2-CG 3.44Å; Y147-H162 VanDerWaalsContact CE2-CG 3.44Å; Y147-H162 AromaticContact CE2-NE2 3.82Å; Y147-H162 HydrophobicContact CG-CB 4.32Å; Y147-H162 AromaticContact CZ-CD2 3.46Å; Y147-H162 VanDerWaalsContact CZ-CD2 3.46Å; Y147-H162 AromaticContact CZ-CG 3.43Å; Y147-H162 VanDerWaalsContact CZ-CG 3.43Å; Y147-H162 AromaticContact CZ-ND1 3.9Å; Y147-H162 AromaticContact CZ-NE2 3.91Å; Y147-H162 CarbonylContact O-C 3.51Å; Y147-H162 VanDerWaalsContact O-C 3.27Å; Y147-H162 PolarHBondContact OH-CD2 3.14Å; Y147-H162 PolarHBondContact OH-CE1 3.17Å; Y147-H162 PolarHBondContact OH-ND1 3.43Å; Y147-H162 PolarHBondContact OH-NE2 2.87Å; S160-H162 PolarHBondContact O-N 3.08Å; S160-H162 VanDerWaalsContact O-N 3.15Å; S160-H162 PolarHBondContact OG-N 3.15Å; H162-R164 VanDerWaalsContact C-NH1 3.35Å; H162-R164 PolarHBondContact O-N 2.84Å; H162-R164 PolarHBondContact O-NH1 3.5Å
163	T	97.2	Very high	94.8	Very high	2 Å²	2	35 Å²	35	1%	0.012	18%	0.183	C	C	.	.			trans	-65.1	130.7	179.9	-59.7	0	0	0	0	110.4	Y147 E148 S160 I165 F166	Y147-T163 WeakPolarHBondContact O-CA 3.44Å; Y147-T163 WeakPolarHBondContact O-CB 3.33Å; Y147-T163 PolarHBondContact O-N 3.18Å; Y147-T163 PolarHBondContact O-OG1 3.48Å; E148-T163 WeakPolarHBondContact O-CA 3.38Å; S160-T163 PolarHBondContact N-OG1 3.39Å; S160-T163 VanDerWaalsContact O-CB 3.31Å; S160-T163 WeakPolarHBondContact O-CB 3.49Å; S160-T163 PolarHBondContact O-N 2.9Å; S160-T163 PolarHBondContact O-OG1 3.19Å; S160-T163 VanDerWaalsContact O-OG1 3.12Å; T163-I165 WeakPolarHBondContact CG2-O 3.3Å; T163-F166 HydrophobicContact CG2-CB 4.08Å; T163-F166 HydrophobicContact CG2-CD2 3.96Å; T163-F166 HydrophobicContact CG2-CG 4.35Å
164	R	97.4	Very high	95	Very high	54 Å²	54	35 Å²	35	20%	0.204	18%	0.183	C	C	.	.			trans	-125.4	-24.6	179.3	-64.1	-58.3	179.5	-94.5	3.3	112.9	Y110 M118 I120 E148 D161 H162	Y110-R164 HydrophobicContact CD2-CB 3.91Å; Y110-R164 HydrophobicContact CE2-CB 3.71Å; Y110-R164 HydrophobicContact CE2-CG 4.19Å; M118-R164 WeakPolarHBondContact O-CD 3.48Å; I120-R164 PolarHBondContact N-O 3.07Å; E148-R164 PolarHBondContact O-N 3.14Å; D161-R164 PolarHBondContact O-NH1 3.2Å; H162-R164 VanDerWaalsContact C-NH1 3.35Å; H162-R164 PolarHBondContact O-N 2.84Å; H162-R164 PolarHBondContact O-NH1 3.5Å
165	I	98.4	Very high	95.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	116	168.8	-59.4	177.7	0	0	0	107.3	P106 Y110 I122 V137 M141 E148 V149 G150 T163 Y167	P106-I165 HydrophobicContact CB-CG2 4.02Å; Y110-I165 HydrophobicContact CD2-CD1 4.12Å; Y110-I165 HydrophobicContact CD2-CG1 3.95Å; Y110-I165 HydrophobicContact CG-CD1 4.05Å; Y110-I165 HydrophobicContact CG-CG1 4.32Å; I122-I165 HydrophobicContact CD1-CG2 3.73Å; V137-I165 HydrophobicContact CG1-CD1 4.15Å; M141-I165 HydrophobicContact SD-CD1 3.62Å; E148-I165 PolarHBondContact O-N 3.12Å; V149-I165 WeakPolarHBondContact CA-O 3.48Å; V149-I165 HydrophobicContact CG1-CG2 4.42Å; V149-I165 HydrophobicContact CG2-CB 4.11Å; V149-I165 HydrophobicContact CG2-CD1 4.25Å; G150-I165 PolarHBondContact N-O 2.93Å; T163-I165 WeakPolarHBondContact CG2-O 3.3Å; I165-Y167 HydrophobicContact CG2-CD2 4.19Å; I165-Y167 HydrophobicContact CG2-CE2 3.68Å
166	F	98.5	Very high	95.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	106.6	-171	-168.1	-134.7	0	0	0	111.6	V119 I120 G121 I122 A159 T163 L168 Y186	V119-F166 HydrophobicContact CG1-CB 3.48Å; V119-F166 VanDerWaalsContact CG1-CB 3.48Å; V119-F166 HydrophobicContact CG1-CG 4.43Å; I120-F166 PolarHBondContact O-N 3.1Å; G121-F166 CarbonylContact C-O 3.47Å; G121-F166 WeakPolarHBondContact CA-O 3.39Å; I122-F166 PolarHBondContact N-O 3.3Å; A159-F166 HydrophobicContact CB-CD2 4.35Å; A159-F166 HydrophobicContact CB-CE2 3.73Å; A159-F166 HydrophobicContact CB-CZ 4.46Å; T163-F166 HydrophobicContact CG2-CB 4.08Å; T163-F166 HydrophobicContact CG2-CD2 3.96Å; T163-F166 HydrophobicContact CG2-CG 4.35Å; F166-L168 HydrophobicContact CD1-CD1 4.41Å; F166-L168 HydrophobicContact CD1-CD2 4.11Å; F166-L168 HydrophobicContact CE1-CD1 4.26Å; F166-L168 VanDerWaalsContact O-CD2 3.27Å; F166-L168 WeakPolarHBondContact O-CD2 3.29Å; F166-Y186 HydrophobicContact CD1-CE1 4.22Å
167	Y	98.5	Very high	96.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	127	175.4	-72.2	-93.6	0	0	0	110.4	S102 I122 E124 A130 L133 A134 V137 G150 Y151 S152 I165	S102-Y167 PolarHBondContact O-OH 3.04Å; I122-Y167 HydrophobicContact CB-CD1 3.73Å; I122-Y167 HydrophobicContact CB-CE1 3.86Å; I122-Y167 HydrophobicContact CB-CG 4.32Å; I122-Y167 HydrophobicContact CD1-CD2 4.39Å; I122-Y167 HydrophobicContact CD1-CE1 4.36Å; I122-Y167 HydrophobicContact CD1-CE2 4.22Å; I122-Y167 HydrophobicContact CG1-CD1 4.45Å; I122-Y167 HydrophobicContact CG1-CE1 4.19Å; I122-Y167 HydrophobicContact CG2-CD1 3.8Å; I122-Y167 HydrophobicContact CG2-CE1 3.7Å; I122-Y167 CarbonylContact O-C 3.55Å; I122-Y167 WeakPolarHBondContact O-CA 3.41Å; E124-Y167 HydrophobicContact CG-CD1 4.35Å; A130-Y167 WeakPolarHBondContact O-CB 3.47Å; L133-Y167 HydrophobicContact CB-CD1 3.88Å; L133-Y167 HydrophobicContact CB-CE1 3.58Å; L133-Y167 HydrophobicContact CD1-CD1 4.47Å; L133-Y167 HydrophobicContact CD1-CE1 4.19Å; L133-Y167 HydrophobicContact CG-CE1 4.48Å; A134-Y167 HydrophobicContact CB-CD2 3.67Å; A134-Y167 HydrophobicContact CB-CE2 4.43Å; A134-Y167 HydrophobicContact CB-CG 4.13Å; V137-Y167 HydrophobicContact CB-CE2 4.34Å; V137-Y167 HydrophobicContact CG2-CE2 4.3Å; V137-Y167 VanDerWaalsContact CG2-OH 3.24Å; V137-Y167 WeakPolarHBondContact CG2-OH 3.27Å; G150-Y167 PolarHBondContact O-N 3.3Å; Y151-Y167 CarbonylContact C-O 3.4Å; Y151-Y167 WeakPolarHBondContact CA-O 3.16Å; Y151-Y167 VanDerWaalsContact CB-O 3.29Å; Y151-Y167 WeakPolarHBondContact CB-O 3.41Å; S152-Y167 PolarHBondContact N-O 2.75Å; I165-Y167 HydrophobicContact CG2-CD2 4.19Å; I165-Y167 HydrophobicContact CG2-CE2 3.68Å
168	L	98	Very high	96.1	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149.9	-179.1	63.6	168.8	0	0	0	112.2	I122 T123 E124 S152 F166 M172 L173	I122-L168 PolarHBondContact O-N 3.3Å; T123-L168 CarbonylContact C-O 3.6Å; T123-L168 WeakPolarHBondContact CA-O 3.41Å; T123-L168 HydrophobicContact CG2-CG 4.49Å; E124-L168 PolarHBondContact N-O 3.14Å; S152-L168 WeakPolarHBondContact O-CA 3.5Å; S152-L168 WeakPolarHBondContact O-CB 3.4Å; F166-L168 HydrophobicContact CD1-CD1 4.41Å; F166-L168 HydrophobicContact CD1-CD2 4.11Å; F166-L168 HydrophobicContact CE1-CD1 4.26Å; F166-L168 VanDerWaalsContact O-CD2 3.27Å; F166-L168 WeakPolarHBondContact O-CD2 3.29Å; L168-M172 HydrophobicContact CB-CB 4.33Å; L168-M172 HydrophobicContact CD1-CB 4.3Å; L168-L173 HydrophobicContact CD1-CB 3.66Å; L168-L173 HydrophobicContact CD1-CD1 4.13Å; L168-L173 HydrophobicContact CD1-CG 4.45Å; L168-L173 HydrophobicContact CG-CB 4.26Å
169	T	95.8	Very high	95.8	Very high	15 Å²	15	35 Å²	35	9%	0.092	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	147.3	168.9	49.1	0	0	0	0	110.2	E124 R127 S152 V153 G171 M172 L173	E124-T169 VanDerWaalsContact O-CA 3.31Å; E124-T169 WeakPolarHBondContact O-CA 3.45Å; R127-T169 HydrophobicContact CG-CG2 3.91Å; S152-T169 PolarHBondContact O-N 3.26Å; S152-T169 VanDerWaalsContact O-N 3.09Å; V153-T169 HydrophobicContact CB-CG2 4.19Å; V153-T169 HydrophobicContact CG1-CG2 3.92Å; T169-G171 PolarHBondContact O-N 2.62Å; T169-G171 VanDerWaalsContact O-N 3.14Å; T169-M172 WeakPolarHBondContact O-CA 3.49Å; T169-M172 WeakPolarHBondContact O-CB 3.5Å; T169-M172 PolarHBondContact O-N 2.91Å; T169-M172 VanDerWaalsContact OG1-CG 3.3Å; T169-M172 WeakPolarHBondContact OG1-CG 3.45Å; T169-L173 PolarHBondContact O-N 3.3Å
170	E	96.5	Very high	95.5	Very high	8 Å²	8	35 Å²	35	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-49.6	-44.1	-178.2	-60.1	172.4	131.2	0	0	113.1	E124 M172 L173 I174 T198 Q200 T201 L204	E124-E170 PolarHBondContact O-N 3.36Å; E170-M172 PolarHBondContact O-N 2.62Å; E170-L173 PolarHBondContact O-N 3.01Å; E170-L173 VanDerWaalsContact O-N 3.13Å; E170-I174 WeakPolarHBondContact O-CG1 3.49Å; E170-I174 PolarHBondContact O-N 3.1Å; E170-T198 PolarHBondContact OE2-OG1 3.33Å; E170-Q200 HydrophobicContact CB-CB 3.65Å; E170-T201 WeakPolarHBondContact OE1-CA 3.45Å; E170-T201 VanDerWaalsContact OE1-CB 3.25Å; E170-T201 WeakPolarHBondContact OE1-CB 3.43Å; E170-T201 PolarHBondContact OE1-N 2.96Å; E170-T201 PolarHBondContact OE1-OG1 2.92Å; E170-L204 HydrophobicContact CB-CD1 3.62Å; E170-L204 HydrophobicContact CG-CD1 3.94Å
171	G	94.3	Very high	95.4	Very high	20 Å²	20	36.2 Å²	36.2	21%	0.206	18%	0.181	C	C	.	.	H	α-helix	trans	-66.3	-16	178	0	0	0	0	0	115.2	T169 R175	T169-G171 PolarHBondContact O-N 2.62Å; T169-G171 VanDerWaalsContact O-N 3.14Å; G171-R175 PolarHBondContact O-N 3.31Å
172	M	95.2	Very high	95.4	Very high	30 Å²	30	30.3 Å²	30.3	15%	0.148	15%	0.149	C	C	.	.	H	α-helix	trans	-81	-42.2	170.8	-62.8	-54.9	-66.2	0	0	110.6	S152 L168 T169 E170 I174 R175 E176	S152-M172 WeakPolarHBondContact OG-CE 3.34Å; L168-M172 HydrophobicContact CB-CB 4.33Å; L168-M172 HydrophobicContact CD1-CB 4.3Å; T169-M172 WeakPolarHBondContact O-CA 3.49Å; T169-M172 WeakPolarHBondContact O-CB 3.5Å; T169-M172 PolarHBondContact O-N 2.91Å; T169-M172 VanDerWaalsContact OG1-CG 3.3Å; T169-M172 WeakPolarHBondContact OG1-CG 3.45Å; E170-M172 PolarHBondContact O-N 2.62Å; M172-I174 VanDerWaalsContact C-N 3.34Å; M172-I174 PolarHBondContact O-N 3.41Å; M172-R175 WeakPolarHBondContact O-CB 3.29Å; M172-R175 PolarHBondContact O-N 2.93Å; M172-R175 VanDerWaalsContact O-N 3.08Å; M172-R175 PolarHBondContact SD-NH1 3.41Å; M172-R175 VanDerWaalsContact SD-NH1 3.37Å; M172-E176 PolarHBondContact O-N 3.09Å
173	L	97.3	Very high	95.5	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-63.3	-41.8	175.3	-175.5	61.7	0	0	0	111.4	T123 L168 T169 E170 R175 E176 A177 L183 Y186 I189 L204	T123-L173 HydrophobicContact CG2-CB 4.05Å; T123-L173 HydrophobicContact CG2-CD2 3.38Å; T123-L173 HydrophobicContact CG2-CG 4.35Å; L168-L173 HydrophobicContact CD1-CB 3.66Å; L168-L173 HydrophobicContact CD1-CD1 4.13Å; L168-L173 HydrophobicContact CD1-CG 4.45Å; L168-L173 HydrophobicContact CG-CB 4.26Å; T169-L173 PolarHBondContact O-N 3.3Å; E170-L173 PolarHBondContact O-N 3.01Å; E170-L173 VanDerWaalsContact O-N 3.13Å; L173-R175 PolarHBondContact O-N 3.06Å; L173-E176 PolarHBondContact O-N 2.79Å; L173-E176 VanDerWaalsContact O-N 3.15Å; L173-A177 PolarHBondContact O-N 2.93Å; L173-L183 HydrophobicContact CD1-CD2 4Å; L173-Y186 HydrophobicContact CD1-CD2 4.27Å; L173-Y186 HydrophobicContact CD1-CE2 3.66Å; L173-I189 HydrophobicContact CD1-CD1 4.23Å; L173-I189 HydrophobicContact CD2-CD1 4.14Å; L173-I189 HydrophobicContact CD2-CG2 3.89Å; L173-L204 HydrophobicContact CB-CD2 4.11Å; L173-L204 HydrophobicContact CD2-CD1 4.22Å; L173-L204 HydrophobicContact CD2-CD2 3.66Å; L173-L204 HydrophobicContact CG-CD2 3.84Å
174	I	95.8	Very high	95.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.1	-39.1	173.3	-69.8	173.2	0	0	0	110.9	E170 M172 A177 M178 Q200 V203 L204 Q441 M445	E170-I174 WeakPolarHBondContact O-CG1 3.49Å; E170-I174 PolarHBondContact O-N 3.1Å; M172-I174 VanDerWaalsContact C-N 3.34Å; M172-I174 PolarHBondContact O-N 3.41Å; I174-A177 WeakPolarHBondContact O-CB 3.29Å; I174-A177 PolarHBondContact O-N 2.86Å; I174-M178 WeakPolarHBondContact O-CG 3.46Å; I174-M178 PolarHBondContact O-N 3.32Å; I174-M178 VanDerWaalsContact O-N 3.09Å; I174-Q200 HydrophobicContact CD1-CB 3.79Å; I174-Q200 HydrophobicContact CD1-CG 4.28Å; I174-V203 HydrophobicContact CD1-CB 4.09Å; I174-V203 HydrophobicContact CD1-CG1 3.93Å; I174-V203 HydrophobicContact CG1-CG1 4.46Å; I174-L204 HydrophobicContact CD1-CD2 4.3Å; I174-L204 HydrophobicContact CD1-CG 3.91Å; I174-L204 HydrophobicContact CG1-CD1 4.43Å; I174-L204 HydrophobicContact CG1-CD2 3.46Å; I174-L204 VanDerWaalsContact CG1-CD2 3.46Å; I174-L204 HydrophobicContact CG1-CG 3.63Å; I174-Q441 HydrophobicContact CG2-CB 4.32Å; I174-M445 HydrophobicContact CB-CE 4.46Å; I174-M445 HydrophobicContact CG2-CE 3.62Å; I174-M445 WeakPolarHBondContact O-CE 3.3Å
175	R	93.5	Very high	95.3	Very high	49 Å²	49	33.3 Å²	33.3	19%	0.185	16%	0.162	C	C	.	.	H	α-helix	trans	-65.8	-40	176.6	-178.7	173	-71.6	93	19.9	111.7	G171 M172 L173 A177 M178 Y179 P498	G171-R175 PolarHBondContact O-N 3.31Å; M172-R175 WeakPolarHBondContact O-CB 3.29Å; M172-R175 PolarHBondContact O-N 2.93Å; M172-R175 VanDerWaalsContact O-N 3.08Å; M172-R175 PolarHBondContact SD-NH1 3.41Å; M172-R175 VanDerWaalsContact SD-NH1 3.37Å; L173-R175 PolarHBondContact O-N 3.06Å; R175-A177 VanDerWaalsContact C-N 3.33Å; R175-M178 WeakPolarHBondContact O-CB 3.29Å; R175-M178 PolarHBondContact O-N 3.04Å; R175-Y179 HydrophobicContact CG-CE2 4.13Å; R175-Y179 WeakPolarHBondContact O-CD2 3.33Å; R175-P498 VanDerWaalsContact CZ-CB 3.49Å; R175-P498 VanDerWaalsContact NH2-CA 3.26Å
176	E	95	Very high	95.3	Very high	47 Å²	47	33.3 Å²	33.3	22%	0.22	16%	0.162	C	C	.	.	H	α-helix	trans	-62.7	-42	173.6	-67	-170.8	-176.3	0	0	111.4	M172 L173 M178 Y179 G180 R185 Y186	M172-E176 PolarHBondContact O-N 3.09Å; L173-E176 PolarHBondContact O-N 2.79Å; L173-E176 VanDerWaalsContact O-N 3.15Å; E176-M178 PolarHBondContact O-N 3.01Å; E176-Y179 PolarHBondContact O-N 3.16Å; E176-G180 PolarHBondContact O-N 3.11Å; E176-R185 IonicContact OE1-NH1 3.56Å; E176-R185 PolarHBondContact OE1-NH1 2.78Å; E176-R185 IonicContact OE2-NH1 2.78Å; E176-Y186 VanDerWaalsContact CD-OH 3.25Å; E176-Y186 PolarHBondContact OE1-OH 3.17Å; E176-Y186 WeakPolarHBondContact OE2-CE2 3.31Å; E176-Y186 VanDerWaalsContact OE2-CZ 3.24Å; E176-Y186 PolarHBondContact OE2-OH 3.27Å
177	A	95.5	Very high	95.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.5	-29.4	176.1	0	0	0	0	0	113.5	L173 I174 R175 Y179 G180 L181 L183 V207 M445	L173-A177 PolarHBondContact O-N 2.93Å; I174-A177 WeakPolarHBondContact O-CB 3.29Å; I174-A177 PolarHBondContact O-N 2.86Å; R175-A177 VanDerWaalsContact C-N 3.33Å; A177-Y179 PolarHBondContact O-N 2.95Å; A177-G180 CarbonylContact O-C 3.49Å; A177-G180 PolarHBondContact O-N 3.32Å; A177-L181 PolarHBondContact O-N 3.44Å; A177-L183 HydrophobicContact CB-CD2 3.9Å; A177-V207 HydrophobicContact CB-CG1 3.56Å; A177-M445 HydrophobicContact CB-CE 3.71Å
178	M	92.7	Very high	95.2	Very high	17 Å²	17	33.8 Å²	33.8	8%	0.084	17%	0.165	C	C	.	.	H	α-helix	trans	-63.9	-25.2	174.3	-67.9	165.4	64.3	0	0	112.9	I174 R175 E176 Q441 V444 M445 A495	I174-M178 WeakPolarHBondContact O-CG 3.46Å; I174-M178 PolarHBondContact O-N 3.32Å; I174-M178 VanDerWaalsContact O-N 3.09Å; R175-M178 WeakPolarHBondContact O-CB 3.29Å; R175-M178 PolarHBondContact O-N 3.04Å; E176-M178 PolarHBondContact O-N 3.01Å; M178-Q441 HydrophobicContact CE-CG 4.43Å; M178-Q441 HydrophobicContact SD-CB 4.09Å; M178-Q441 HydrophobicContact SD-CG 3.83Å; M178-V444 HydrophobicContact CB-CG1 3.94Å; M178-V444 HydrophobicContact CE-CB 3.82Å; M178-V444 HydrophobicContact CE-CG1 3.68Å; M178-V444 HydrophobicContact CE-CG2 3.92Å; M178-V444 HydrophobicContact CG-CB 4.49Å; M178-V444 HydrophobicContact CG-CG1 4.27Å; M178-M445 HydrophobicContact CB-CE 4.49Å; M178-M445 HydrophobicContact CG-CE 3.58Å; M178-M445 HydrophobicContact CG-CG 4.08Å; M178-A495 HydrophobicContact CE-CB 3.91Å
179	Y	89.4	Confident	95.2	Very high	173 Å²	173	33.7 Å²	33.7	68%	0.678	17%	0.165	S	C	*	.	H	α-helix	trans	-101.2	-21.1	177.9	-63.2	-77	0	0	0	112.9	R175 E176 A177	R175-Y179 HydrophobicContact CG-CE2 4.13Å; R175-Y179 WeakPolarHBondContact O-CD2 3.33Å; E176-Y179 PolarHBondContact O-N 3.16Å; A177-Y179 PolarHBondContact O-N 2.95Å
180	G	91.8	Very high	95.4	Very high	32 Å²	32	33 Å²	33	33%	0.33	16%	0.16	S	C	.	.			trans	-152	98.5	176.4	0	0	0	0	0	112.6	E176 A177 L182 L183	E176-G180 PolarHBondContact O-N 3.11Å; A177-G180 CarbonylContact O-C 3.49Å; A177-G180 PolarHBondContact O-N 3.32Å; G180-L182 PolarHBondContact O-N 3.48Å; G180-L183 PolarHBondContact O-N 3.39Å
181	L	92.4	Very high	95.4	Very high	63 Å²	63	32.6 Å²	32.6	33%	0.33	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.9	-178.7	-70.3	170.7	0	0	0	114.1	A177 L183 A211 M445	A177-L181 PolarHBondContact O-N 3.44Å; L181-L183 VanDerWaalsContact C-N 3.28Å; L181-A211 VanDerWaalsContact O-CB 3.24Å; L181-A211 WeakPolarHBondContact O-CB 3.17Å; L181-M445 WeakPolarHBondContact CD1-O 3.41Å; L181-M445 HydrophobicContact CD2-CB 3.67Å; L181-M445 HydrophobicContact CD2-CG 3.87Å; L181-M445 HydrophobicContact CD2-SD 4.36Å
182	L	95.4	Very high	95.4	Very high	29 Å²	29	31.7 Å²	31.7	15%	0.152	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-9.7	177.3	-67.8	170.5	0	0	0	112.8	G180 E184 F214 R215 L218 M220	G180-L182 PolarHBondContact O-N 3.48Å; L182-E184 HydrophobicContact CB-CG 3.58Å; L182-E184 HydrophobicContact CD1-CG 4.44Å; L182-E184 VanDerWaalsContact CD1-OE1 3.31Å; L182-E184 WeakPolarHBondContact CD1-OE1 3.35Å; L182-E184 PolarHBondContact O-N 3.46Å; L182-E184 VanDerWaalsContact O-N 3.14Å; L182-F214 HydrophobicContact CD2-CB 3.47Å; L182-F214 VanDerWaalsContact CD2-CB 3.47Å; L182-R215 HydrophobicContact CD2-CG 4Å; L182-R215 VanDerWaalsContact O-CZ 3.28Å; L182-R215 PolarHBondContact O-NE 2.89Å; L182-R215 PolarHBondContact O-NH2 2.89Å; L182-L218 HydrophobicContact CD1-CD1 3.76Å; L182-L218 HydrophobicContact CD2-CD1 3.9Å; L182-L218 HydrophobicContact CG-CD1 4.47Å; L182-M220 HydrophobicContact CD1-CE 4.49Å; L182-M220 HydrophobicContact CD1-SD 3.92Å; L182-M220 HydrophobicContact CD2-SD 4.33Å
183	L	96.7	Very high	95.2	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.026	14%	0.142	C	C	.	.			trans	51.1	36.8	-178.9	-67.3	174.1	0	0	0	113	L173 A177 G180 L181 R185 Y186 I189 V207 V208 A211 R215 L223	L173-L183 HydrophobicContact CD1-CD2 4Å; A177-L183 HydrophobicContact CB-CD2 3.9Å; G180-L183 PolarHBondContact O-N 3.39Å; L181-L183 VanDerWaalsContact C-N 3.28Å; L183-R185 PolarHBondContact O-N 2.95Å; L183-Y186 HydrophobicContact CB-CD2 4.25Å; L183-Y186 PolarHBondContact O-N 3.18Å; L183-I189 HydrophobicContact CB-CD1 4.32Å; L183-I189 HydrophobicContact CD1-CD1 3.56Å; L183-I189 HydrophobicContact CG-CD1 4.45Å; L183-V207 HydrophobicContact CD1-CG1 4.28Å; L183-V208 HydrophobicContact CD1-CG1 4.27Å; L183-A211 HydrophobicContact CD1-CB 4.06Å; L183-A211 HydrophobicContact CG-CB 4.35Å; L183-R215 PolarHBondContact O-NH2 3.49Å; L183-L223 HydrophobicContact CD1-CD2 4.28Å
184	E	95.1	Very high	94.9	Very high	117 Å²	117	30.4 Å²	30.4	55%	0.547	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-24.8	-166.3	-57.5	180	154.9	0	0	114.7	L182 Y186 R215 M220	L182-E184 HydrophobicContact CB-CG 3.58Å; L182-E184 HydrophobicContact CD1-CG 4.44Å; L182-E184 VanDerWaalsContact CD1-OE1 3.31Å; L182-E184 WeakPolarHBondContact CD1-OE1 3.35Å; L182-E184 PolarHBondContact O-N 3.46Å; L182-E184 VanDerWaalsContact O-N 3.14Å; E184-Y186 PolarHBondContact O-N 3.29Å; E184-R215 VanDerWaalsContact CA-NH2 3.32Å; E184-M220 HydrophobicContact CG-CE 4.15Å
185	R	95.6	Very high	94.5	Very high	92 Å²	92	31.8 Å²	31.8	35%	0.347	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.7	174.2	-174.1	178.7	-175.8	-174.8	4.4	113.1	M118 V119 E176 L183	M118-R185 WeakPolarHBondContact CB-O 3.32Å; V119-R185 HydrophobicContact CB-CG 4.4Å; V119-R185 HydrophobicContact CG2-CG 3.98Å; V119-R185 PolarHBondContact N-O 2.92Å; E176-R185 IonicContact OE1-NH1 3.56Å; E176-R185 PolarHBondContact OE1-NH1 2.78Å; E176-R185 IonicContact OE2-NH1 2.78Å; L183-R185 PolarHBondContact O-N 2.95Å
186	Y	97.9	Very high	94.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.1	-170.4	-55	-81.1	0	0	0	112.8	V119 F166 L173 E176 L183 E184 I189 R215	V119-Y186 HydrophobicContact CB-CD1 3.9Å; V119-Y186 HydrophobicContact CB-CE1 4.14Å; V119-Y186 HydrophobicContact CG1-CD1 4.02Å; V119-Y186 HydrophobicContact CG1-CE1 3.9Å; V119-Y186 VanDerWaalsContact O-CA 3.29Å; V119-Y186 WeakPolarHBondContact O-CA 3.32Å; F166-Y186 HydrophobicContact CD1-CE1 4.22Å; L173-Y186 HydrophobicContact CD1-CD2 4.27Å; L173-Y186 HydrophobicContact CD1-CE2 3.66Å; E176-Y186 VanDerWaalsContact CD-OH 3.25Å; E176-Y186 PolarHBondContact OE1-OH 3.17Å; E176-Y186 WeakPolarHBondContact OE2-CE2 3.31Å; E176-Y186 VanDerWaalsContact OE2-CZ 3.24Å; E176-Y186 PolarHBondContact OE2-OH 3.27Å; L183-Y186 HydrophobicContact CB-CD2 4.25Å; L183-Y186 PolarHBondContact O-N 3.18Å; E184-Y186 PolarHBondContact O-N 3.29Å; Y186-I189 HydrophobicContact CD1-CG1 4.39Å; Y186-I189 HydrophobicContact CD2-CD1 4.12Å; Y186-I189 HydrophobicContact CD2-CG1 4.43Å; Y186-I189 HydrophobicContact CG-CD1 4.13Å; Y186-I189 HydrophobicContact CG-CG1 3.96Å; Y186-R215 PolarHBondContact O-NH1 2.54Å; Y186-R215 PolarHBondContact O-NH2 2.93Å
187	S	97.3	Very high	93.9	Very high	9 Å²	9	30.1 Å²	30.1	6%	0.063	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-35	165.6	63.7	0	0	0	0	111.5	L114 H115 V119 K224	L114-S187 WeakPolarHBondContact O-CB 3.06Å; L114-S187 PolarHBondContact O-OG 3.27Å; H115-S187 WeakPolarHBondContact CA-OG 3.26Å; V119-S187 PolarHBondContact O-N 3.39Å; V119-S187 VanDerWaalsContact O-N 3.1Å; S187-K224 PolarHBondContact O-N 3.38Å
188	V	98.3	Very high	93.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134.5	178	-168.2	0	0	0	0	109.5	L109 L114 I120 G121 I190 K224 V226	L109-V188 HydrophobicContact CD1-CG1 3.97Å; L114-V188 HydrophobicContact CB-CG2 4.26Å; I120-V188 WeakPolarHBondContact CA-O 3.27Å; I120-V188 HydrophobicContact CG1-CB 4.39Å; I120-V188 HydrophobicContact CG1-CG2 4.47Å; I120-V188 HydrophobicContact CG2-CB 4.39Å; G121-V188 PolarHBondContact N-O 3.48Å; V188-I190 HydrophobicContact CG1-CG1 4.38Å; V188-K224 CarbonylContact C-O 3.22Å; V188-K224 VanDerWaalsContact CA-O 3.27Å; V188-K224 WeakPolarHBondContact CA-O 3.3Å; V188-K224 HydrophobicContact CB-CB 4.39Å; V188-K224 HydrophobicContact CG1-CB 4.13Å; V188-K224 HydrophobicContact CG2-CB 4.08Å; V188-V226 HydrophobicContact CG1-CG2 4.15Å
189	I	98.5	Very high	93.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.9	167.6	-70.2	173	0	0	0	108.7	G121 L173 L183 Y186 L191 V208 L223 K224 V225 V226	G121-I189 CarbonylContact O-C 3.6Å; G121-I189 WeakPolarHBondContact O-CA 3.29Å; L173-I189 HydrophobicContact CD1-CD1 4.23Å; L173-I189 HydrophobicContact CD2-CD1 4.14Å; L173-I189 HydrophobicContact CD2-CG2 3.89Å; L183-I189 HydrophobicContact CB-CD1 4.32Å; L183-I189 HydrophobicContact CD1-CD1 3.56Å; L183-I189 HydrophobicContact CG-CD1 4.45Å; Y186-I189 HydrophobicContact CD1-CG1 4.39Å; Y186-I189 HydrophobicContact CD2-CD1 4.12Å; Y186-I189 HydrophobicContact CD2-CG1 4.43Å; Y186-I189 HydrophobicContact CG-CD1 4.13Å; Y186-I189 HydrophobicContact CG-CG1 3.96Å; I189-L191 HydrophobicContact CG2-CD2 3.71Å; I189-L191 HydrophobicContact CG2-CG 4.27Å; I189-V208 HydrophobicContact CD1-CG1 4.33Å; I189-V208 HydrophobicContact CG2-CG1 4.26Å; I189-L223 HydrophobicContact CD1-CD1 4.04Å; I189-L223 HydrophobicContact CD1-CD2 4.1Å; I189-L223 HydrophobicContact CG1-CD1 4.07Å; I189-K224 PolarHBondContact N-O 2.9Å; I189-V225 CarbonylContact O-C 3.32Å; I189-V225 VanDerWaalsContact O-CA 3.29Å; I189-V225 WeakPolarHBondContact O-CA 3.47Å; I189-V226 PolarHBondContact O-N 3.29Å
190	I	98.4	Very high	94	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.6	173.1	-49.5	-174.5	0	0	0	107.9	V105 P106 L109 I120 G121 I122 T123 V188 V226 M228	V105-I190 HydrophobicContact CG1-CD1 4.12Å; P106-I190 HydrophobicContact CG-CD1 3.93Å; L109-I190 HydrophobicContact CD1-CD1 3.68Å; L109-I190 HydrophobicContact CD1-CG1 4.24Å; I120-I190 HydrophobicContact CG2-CD1 4.22Å; I120-I190 HydrophobicContact CG2-CG1 4.42Å; G121-I190 PolarHBondContact O-N 2.94Å; I122-I190 CarbonylContact C-O 3.54Å; I122-I190 WeakPolarHBondContact CA-O 3.43Å; I122-I190 HydrophobicContact CB-CB 4.37Å; I122-I190 HydrophobicContact CG1-CB 4.08Å; I122-I190 HydrophobicContact CG1-CD1 3.8Å; I122-I190 HydrophobicContact CG1-CG1 4.14Å; I122-I190 HydrophobicContact CG2-CB 4.19Å; I122-I190 HydrophobicContact CG2-CG2 4.36Å; T123-I190 PolarHBondContact N-O 2.81Å; T123-I190 PolarHBondContact OG1-O 2.8Å; V188-I190 HydrophobicContact CG1-CG1 4.38Å; I190-V226 CarbonylContact C-O 3.52Å; I190-V226 VanDerWaalsContact CA-O 3.24Å; I190-V226 WeakPolarHBondContact CA-O 3.38Å; I190-V226 HydrophobicContact CG1-CB 4.19Å; I190-V226 HydrophobicContact CG2-CB 4.28Å; I190-V226 HydrophobicContact CG2-CG1 4.46Å; I190-M228 HydrophobicContact CG2-CE 3.36Å; I190-M228 HydrophobicContact CG2-CG 3.84Å; I190-M228 HydrophobicContact CG2-SD 3.74Å
191	L	97.1	Very high	94.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	97.6	170	-55.3	-177.3	0	0	0	107.2	T123 I189 V194 L204 F205 V208 V225 V226 M228	T123-L191 HydrophobicContact CG2-CD2 4Å; T123-L191 WeakPolarHBondContact OG1-CA 3.36Å; T123-L191 VanDerWaalsContact OG1-CD2 3.31Å; T123-L191 WeakPolarHBondContact OG1-CD2 3.33Å; I189-L191 HydrophobicContact CG2-CD2 3.71Å; I189-L191 HydrophobicContact CG2-CG 4.27Å; L191-V194 HydrophobicContact CB-CG1 3.81Å; L191-V194 VanDerWaalsContact O-CG1 3.3Å; L191-V194 WeakPolarHBondContact O-CG1 3.36Å; L191-L204 HydrophobicContact CD2-CB 4.41Å; L191-L204 HydrophobicContact CD2-CD1 4.21Å; L191-F205 HydrophobicContact CB-CE1 4.45Å; L191-F205 HydrophobicContact CD1-CD1 3.42Å; L191-F205 VanDerWaalsContact CD1-CD1 3.42Å; L191-F205 HydrophobicContact CD1-CE1 3.52Å; L191-V208 HydrophobicContact CD1-CG2 4.21Å; L191-V225 HydrophobicContact CD1-CG1 4.44Å; L191-V226 PolarHBondContact N-O 2.81Å; L191-M228 PolarHBondContact O-N 2.96Å
192	D	94.7	Very high	94.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.093	C	C	.	.			trans	-88.1	160.7	179.9	-154	-3.6	0	0	0	111.8	S102 I122 T123 V194 M228	S102-D192 WeakPolarHBondContact CA-OD2 3.11Å; S102-D192 WeakPolarHBondContact CB-OD2 3.05Å; S102-D192 PolarHBondContact OG-OD2 3.17Å; I122-D192 HydrophobicContact CG2-CB 4.37Å; T123-D192 WeakPolarHBondContact O-CB 3.44Å; T123-D192 PolarHBondContact O-N 2.81Å; D192-V194 PolarHBondContact O-N 3.42Å; D192-V194 VanDerWaalsContact O-N 3.08Å; D192-M228 HydrophobicContact CB-CE 3.79Å; D192-M228 WeakPolarHBondContact OD1-CB 3.37Å; D192-M228 WeakPolarHBondContact OD1-CE 3.34Å; D192-M228 WeakPolarHBondContact OD2-CE 3.48Å
193	E	90.6	Very high	94.2	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.019	9%	0.086	C	C	.	.			trans	53.9	31.1	174.7	-55.4	-69.4	-179.2	0	0	113.7	P125 H195 E196 M228 T355 S356	P125-E193 HydrophobicContact CG-CB 3.86Å; E193-H195 PolarHBondContact O-N 3.26Å; E193-H195 IonicContact OE2-CE1 3.83Å; E193-H195 PolarHBondContact OE2-CE1 3.49Å; E193-H195 IonicContact OE2-ND1 3.42Å; E193-H195 IonicContact OE2-NE2 3.84Å; E193-H195 PolarHBondContact OE2-NE2 3.32Å; E193-E196 WeakPolarHBondContact O-CB 3.39Å; E193-E196 PolarHBondContact O-N 2.85Å; E193-M228 PolarHBondContact N-O 2.82Å; E193-T355 WeakPolarHBondContact OE2-CB 3.4Å; E193-S356 WeakPolarHBondContact OE1-CA 3.38Å; E193-S356 PolarHBondContact OE1-N 2.69Å; E193-S356 PolarHBondContact OE1-OG 3.23Å
194	V	91.7	Very high	94.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-62.9	-15.8	-172.1	-59.3	0	0	0	0	114.4	L191 D192 E196 R197 T201 F205 I227 M228 I237	L191-V194 HydrophobicContact CB-CG1 3.81Å; L191-V194 VanDerWaalsContact O-CG1 3.3Å; L191-V194 WeakPolarHBondContact O-CG1 3.36Å; D192-V194 PolarHBondContact O-N 3.42Å; D192-V194 VanDerWaalsContact O-N 3.08Å; V194-E196 PolarHBondContact O-N 3.37Å; V194-R197 VanDerWaalsContact O-CD 3.25Å; V194-R197 WeakPolarHBondContact O-CD 3.27Å; V194-R197 PolarHBondContact O-N 2.81Å; V194-T201 HydrophobicContact CB-CG2 4.05Å; V194-T201 HydrophobicContact CG1-CG2 3.9Å; V194-F205 HydrophobicContact CB-CE1 4.43Å; V194-F205 HydrophobicContact CB-CZ 3.96Å; V194-F205 HydrophobicContact CG1-CE1 3.93Å; V194-F205 HydrophobicContact CG1-CZ 3.96Å; V194-F205 HydrophobicContact CG2-CZ 4.49Å; V194-I227 HydrophobicContact CB-CG2 4.28Å; V194-I227 HydrophobicContact CG1-CG2 3.86Å; V194-I227 HydrophobicContact CG2-CG2 3.58Å; V194-M228 PolarHBondContact N-O 2.71Å; V194-I237 HydrophobicContact CG2-CD1 3.9Å
195	H	86.6	Confident	94.2	Very high	29 Å²	29	13 Å²	13	13%	0.134	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-67.5	-14.5	172.7	62.4	-97.6	0	0	0	113.6	E193 R197 A230 T231 T355 Q397	E193-H195 PolarHBondContact O-N 3.26Å; E193-H195 IonicContact OE2-CE1 3.83Å; E193-H195 PolarHBondContact OE2-CE1 3.49Å; E193-H195 IonicContact OE2-ND1 3.42Å; E193-H195 IonicContact OE2-NE2 3.84Å; E193-H195 PolarHBondContact OE2-NE2 3.32Å; H195-R197 PolarHBondContact O-N 3.42Å; H195-A230 PolarHBondContact ND1-N 3.4Å; H195-T231 WeakPolarHBondContact CB-OG1 3.44Å; H195-T355 WeakPolarHBondContact NE2-CG2 3.28Å; H195-Q397 PolarHBondContact CD2-NE2 3.18Å; H195-Q397 PolarHBondContact NE2-NE2 2.98Å; H195-Q397 PolarHBondContact NE2-OE1 3.24Å
196	E	85.8	Confident	94.2	Very high	43 Å²	43	8.6 Å²	8.6	20%	0.201	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-66.8	-20.6	169.1	-68.8	-159.6	-150	0	0	111.9	P125 R126 E193 V194 T198 T355	P125-E196 HydrophobicContact CG-CG 4.31Å; P125-E196 WeakPolarHBondContact CG-OE1 3.39Å; R126-E196 IonicContact CZ-OE1 3.69Å; R126-E196 IonicContact CZ-OE2 3.77Å; R126-E196 IonicContact NE-OE1 2.93Å; R126-E196 IonicContact NE-OE2 3.73Å; R126-E196 PolarHBondContact NE-OE2 2.85Å; R126-E196 IonicContact NH1-OE1 3.49Å; R126-E196 IonicContact NH2-OE1 2.87Å; R126-E196 PolarHBondContact NH2-OE1 3.49Å; R126-E196 IonicContact NH2-OE2 2.83Å; R126-E196 PolarHBondContact NH2-OE2 3.27Å; E193-E196 WeakPolarHBondContact O-CB 3.39Å; E193-E196 PolarHBondContact O-N 2.85Å; V194-E196 PolarHBondContact O-N 3.37Å; E196-T198 VanDerWaalsContact C-N 3.25Å; E196-T198 HydrophobicContact CB-CG2 3.98Å; E196-T198 PolarHBondContact O-N 3.16Å; E196-T355 HydrophobicContact CG-CG2 4.23Å; E196-T355 PolarHBondContact OE1-OG1 3.39Å
197	R	90.2	Very high	94.1	Very high	19 Å²	19	8.9 Å²	8.9	7%	0.072	4%	0.044	C	C	.	.			trans	45.1	50.8	177.4	-66.1	-60.7	-53.7	-80.8	-6.9	111.9	V194 H195 D202 D233 P428 E429 D457	V194-R197 VanDerWaalsContact O-CD 3.25Å; V194-R197 WeakPolarHBondContact O-CD 3.27Å; V194-R197 PolarHBondContact O-N 2.81Å; H195-R197 PolarHBondContact O-N 3.42Å; R197-D202 IonicContact CZ-OD1 3.52Å; R197-D202 IonicContact CZ-OD2 3.97Å; R197-D202 IonicContact NE-OD1 3.66Å; R197-D202 PolarHBondContact NE-OD1 3.32Å; R197-D202 IonicContact NE-OD2 3.45Å; R197-D202 IonicContact NH2-OD1 3.74Å; R197-D202 PolarHBondContact NH2-OD1 2.83Å; R197-D202 IonicContact NH2-OD2 2.8Å; R197-D202 PolarHBondContact NH2-OD2 3.14Å; R197-D233 IonicContact NH1-OD2 3.9Å; R197-P428 HydrophobicContact CB-CB 4.13Å; R197-P428 HydrophobicContact CB-CG 4.42Å; R197-E429 PolarHBondContact O-N 3.26Å; R197-D457 IonicContact CZ-OD2 3.26Å; R197-D457 IonicContact NH1-OD2 3.87Å; R197-D457 PolarHBondContact NH1-OD2 2.91Å; R197-D457 IonicContact NH2-OD2 3.83Å; R197-D457 PolarHBondContact NH2-OD2 3.22Å
198	T	92.5	Very high	94.1	Very high	15 Å²	15	8.4 Å²	8.4	9%	0.092	4%	0.041	C	C	.	.			trans	-70.4	159.2	177.6	91.6	0	0	0	0	109.6	P125 E170 E196 Q200 T201 D202	P125-T198 HydrophobicContact CB-CG2 3.74Å; E170-T198 PolarHBondContact OE2-OG1 3.33Å; E196-T198 VanDerWaalsContact C-N 3.25Å; E196-T198 HydrophobicContact CB-CG2 3.98Å; E196-T198 PolarHBondContact O-N 3.16Å; T198-Q200 PolarHBondContact O-N 3.04Å; T198-Q200 PolarHBondContact OG1-N 3.07Å; T198-T201 PolarHBondContact N-OG1 3.15Å; T198-T201 PolarHBondContact O-N 3.12Å; T198-T201 PolarHBondContact OG1-N 3.21Å; T198-T201 PolarHBondContact OG1-OG1 3.11Å; T198-D202 PolarHBondContact O-N 3.49Å
199	L	92.5	Very high	94	Very high	16 Å²	16	9.8 Å²	9.8	8%	0.084	5%	0.046	C	C	.	.	H	α-helix	trans	-61	-33.3	178.3	173.1	61.7	0	0	0	110.9	V203 E429 I430 C433 L435 V438	L199-V203 VanDerWaalsContact O-CG2 3.23Å; L199-V203 WeakPolarHBondContact O-CG2 3.24Å; L199-V203 PolarHBondContact O-N 3.19Å; L199-E429 HydrophobicContact CB-CB 3.85Å; L199-E429 VanDerWaalsContact N-CB 3.3Å; L199-E429 PolarHBondContact N-OE2 3.45Å; L199-I430 HydrophobicContact CD1-CB 3.96Å; L199-I430 HydrophobicContact CD1-CD1 4.35Å; L199-I430 HydrophobicContact CD1-CG1 3.87Å; L199-C433 HydrophobicContact CD2-CB 4.43Å; L199-L435 HydrophobicContact CD1-CD2 3.74Å; L199-V438 HydrophobicContact CD1-CG2 3.9Å; L199-V438 HydrophobicContact CD2-CG2 3.57Å; L199-V438 HydrophobicContact CG-CG2 3.53Å
200	Q	94.6	Very high	93.9	Very high	43 Å²	43	12 Å²	12	20%	0.201	6%	0.06	C	C	.	.	H	α-helix	trans	-77.8	-34.8	180	-57.8	-65.5	6.3	0	0	111.6	E170 I174 T198 D202 V203 L204	E170-Q200 HydrophobicContact CB-CB 3.65Å; I174-Q200 HydrophobicContact CD1-CB 3.79Å; I174-Q200 HydrophobicContact CD1-CG 4.28Å; T198-Q200 PolarHBondContact O-N 3.04Å; T198-Q200 PolarHBondContact OG1-N 3.07Å; Q200-D202 PolarHBondContact O-N 2.82Å; Q200-V203 PolarHBondContact O-N 2.86Å; Q200-L204 WeakPolarHBondContact O-CB 3.46Å; Q200-L204 WeakPolarHBondContact O-CG 3.01Å; Q200-L204 PolarHBondContact O-N 3.14Å
201	T	94.6	Very high	93.8	Very high	1 Å²	1	12 Å²	12	1%	0.006	6%	0.06	C	C	.	.	H	α-helix	trans	-56.8	-49.9	172.4	-39	0	0	0	0	110.9	E170 V194 T198 V203 L204 F205	E170-T201 WeakPolarHBondContact OE1-CA 3.45Å; E170-T201 VanDerWaalsContact OE1-CB 3.25Å; E170-T201 WeakPolarHBondContact OE1-CB 3.43Å; E170-T201 PolarHBondContact OE1-N 2.96Å; E170-T201 PolarHBondContact OE1-OG1 2.92Å; V194-T201 HydrophobicContact CB-CG2 4.05Å; V194-T201 HydrophobicContact CG1-CG2 3.9Å; T198-T201 PolarHBondContact N-OG1 3.15Å; T198-T201 PolarHBondContact O-N 3.12Å; T198-T201 PolarHBondContact OG1-N 3.21Å; T198-T201 PolarHBondContact OG1-OG1 3.11Å; T201-V203 VanDerWaalsContact C-N 3.28Å; T201-V203 PolarHBondContact O-N 3.17Å; T201-L204 WeakPolarHBondContact O-CB 3.39Å; T201-L204 PolarHBondContact O-N 3.49Å; T201-F205 HydrophobicContact CG2-CD1 4.48Å; T201-F205 HydrophobicContact CG2-CE1 3.94Å; T201-F205 HydrophobicContact CG2-CZ 4.13Å; T201-F205 PolarHBondContact O-N 3.42Å
202	D	94.1	Very high	93.8	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.3	-32.9	-176.6	-76.9	16.3	0	0	0	112	R197 T198 Q200 I430 I456	R197-D202 IonicContact CZ-OD1 3.52Å; R197-D202 IonicContact CZ-OD2 3.97Å; R197-D202 IonicContact NE-OD1 3.66Å; R197-D202 PolarHBondContact NE-OD1 3.32Å; R197-D202 IonicContact NE-OD2 3.45Å; R197-D202 IonicContact NH2-OD1 3.74Å; R197-D202 PolarHBondContact NH2-OD1 2.83Å; R197-D202 IonicContact NH2-OD2 2.8Å; R197-D202 PolarHBondContact NH2-OD2 3.14Å; T198-D202 PolarHBondContact O-N 3.49Å; Q200-D202 PolarHBondContact O-N 2.82Å; D202-I430 HydrophobicContact CB-CD1 4.26Å; D202-I430 VanDerWaalsContact OD2-CG2 3.3Å; D202-I430 WeakPolarHBondContact OD2-CG2 3.4Å; D202-I456 HydrophobicContact CB-CG2 4.3Å
203	V	95.3	Very high	93.8	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	9%	0.091	C	C	.	.	H	α-helix	trans	-70.1	-44.3	171.3	173.4	0	0	0	0	110.8	I174 L199 Q200 T201 F205 G206 V207 V438 L442 F455	I174-V203 HydrophobicContact CD1-CB 4.09Å; I174-V203 HydrophobicContact CD1-CG1 3.93Å; I174-V203 HydrophobicContact CG1-CG1 4.46Å; L199-V203 VanDerWaalsContact O-CG2 3.23Å; L199-V203 WeakPolarHBondContact O-CG2 3.24Å; L199-V203 PolarHBondContact O-N 3.19Å; Q200-V203 PolarHBondContact O-N 2.86Å; T201-V203 VanDerWaalsContact C-N 3.28Å; T201-V203 PolarHBondContact O-N 3.17Å; V203-F205 VanDerWaalsContact C-N 3.26Å; V203-F205 PolarHBondContact O-N 3.48Å; V203-G206 PolarHBondContact O-N 3.47Å; V203-V207 HydrophobicContact CG1-CG2 4.1Å; V203-V207 WeakPolarHBondContact O-CG2 3.43Å; V203-V207 PolarHBondContact O-N 3.06Å; V203-V438 HydrophobicContact CG2-CB 4.23Å; V203-V438 HydrophobicContact CG2-CG1 3.34Å; V203-V438 HydrophobicContact CG2-CG2 3.81Å; V203-L442 HydrophobicContact CG1-CD2 4.28Å; V203-F455 HydrophobicContact CG2-CE1 3.96Å
204	L	96.2	Very high	94.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.7	-36.5	-179.8	-85.4	176.1	0	0	0	112.4	T123 E170 L173 I174 L191 Q200 T201 G206 V207 V208	T123-L204 HydrophobicContact CG2-CD1 4.01Å; E170-L204 HydrophobicContact CB-CD1 3.62Å; E170-L204 HydrophobicContact CG-CD1 3.94Å; L173-L204 HydrophobicContact CB-CD2 4.11Å; L173-L204 HydrophobicContact CD2-CD1 4.22Å; L173-L204 HydrophobicContact CD2-CD2 3.66Å; L173-L204 HydrophobicContact CG-CD2 3.84Å; I174-L204 HydrophobicContact CD1-CD2 4.3Å; I174-L204 HydrophobicContact CD1-CG 3.91Å; I174-L204 HydrophobicContact CG1-CD1 4.43Å; I174-L204 HydrophobicContact CG1-CD2 3.46Å; I174-L204 VanDerWaalsContact CG1-CD2 3.46Å; I174-L204 HydrophobicContact CG1-CG 3.63Å; L191-L204 HydrophobicContact CD2-CB 4.41Å; L191-L204 HydrophobicContact CD2-CD1 4.21Å; Q200-L204 WeakPolarHBondContact O-CB 3.46Å; Q200-L204 WeakPolarHBondContact O-CG 3.01Å; Q200-L204 PolarHBondContact O-N 3.14Å; T201-L204 WeakPolarHBondContact O-CB 3.39Å; T201-L204 PolarHBondContact O-N 3.49Å; L204-G206 PolarHBondContact O-N 2.84Å; L204-V207 PolarHBondContact O-N 3.07Å; L204-V207 VanDerWaalsContact O-N 3.14Å; L204-V208 WeakPolarHBondContact O-CG1 3.31Å; L204-V208 WeakPolarHBondContact O-CG2 3.45Å; L204-V208 PolarHBondContact O-N 3.34Å
205	F	96.5	Very high	94.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-51.6	-52.1	173.2	-79.4	3.7	0	0	0	112.3	L191 V194 T201 V203 V207 V208 K209 I237 Y240 F241 I456	L191-F205 HydrophobicContact CB-CE1 4.45Å; L191-F205 HydrophobicContact CD1-CD1 3.42Å; L191-F205 VanDerWaalsContact CD1-CD1 3.42Å; L191-F205 HydrophobicContact CD1-CE1 3.52Å; V194-F205 HydrophobicContact CB-CE1 4.43Å; V194-F205 HydrophobicContact CB-CZ 3.96Å; V194-F205 HydrophobicContact CG1-CE1 3.93Å; V194-F205 HydrophobicContact CG1-CZ 3.96Å; V194-F205 HydrophobicContact CG2-CZ 4.49Å; T201-F205 HydrophobicContact CG2-CD1 4.48Å; T201-F205 HydrophobicContact CG2-CE1 3.94Å; T201-F205 HydrophobicContact CG2-CZ 4.13Å; T201-F205 PolarHBondContact O-N 3.42Å; V203-F205 VanDerWaalsContact C-N 3.26Å; V203-F205 PolarHBondContact O-N 3.48Å; F205-V207 PolarHBondContact O-N 3.02Å; F205-V208 WeakPolarHBondContact O-CG2 3.46Å; F205-K209 WeakPolarHBondContact O-CG 3.38Å; F205-K209 PolarHBondContact O-N 3.3Å; F205-K209 VanDerWaalsContact O-N 3.14Å; F205-I237 HydrophobicContact CE2-CG1 4.44Å; F205-I237 HydrophobicContact CZ-CG2 4.49Å; F205-Y240 HydrophobicContact CB-CE1 3.72Å; F205-Y240 HydrophobicContact CD2-CD1 4.4Å; F205-Y240 HydrophobicContact CD2-CE1 4.21Å; F205-Y240 HydrophobicContact CG-CE1 4.25Å; F205-F241 HydrophobicContact CB-CE2 4.34Å; F205-F241 HydrophobicContact CB-CZ 3.98Å; F205-F241 AromaticContact CD1-CE2 3.9Å; F205-F241 HydrophobicContact CD1-CE2 3.9Å; F205-F241 AromaticContact CD1-CZ 3.73Å; F205-F241 HydrophobicContact CD1-CZ 3.73Å; F205-F241 AromaticContact CD2-CE2 3.95Å; F205-F241 HydrophobicContact CD2-CE2 3.95Å; F205-F241 HydrophobicContact CD2-CZ 4.38Å; F205-F241 HydrophobicContact CE1-CE2 4.12Å; F205-F241 HydrophobicContact CE1-CZ 4.29Å; F205-F241 HydrophobicContact CE2-CE2 4.19Å; F205-F241 AromaticContact CG-CE2 3.81Å; F205-F241 HydrophobicContact CG-CE2 3.81Å; F205-F241 AromaticContact CG-CZ 3.78Å; F205-F241 HydrophobicContact CG-CZ 3.78Å; F205-F241 HydrophobicContact CZ-CE2 4.26Å; F205-I456 HydrophobicContact CD2-CB 3.99Å; F205-I456 HydrophobicContact CD2-CD1 3.99Å; F205-I456 HydrophobicContact CD2-CG2 3.77Å; F205-I456 HydrophobicContact CE2-CD1 3.79Å; F205-I456 HydrophobicContact CE2-CG2 4.29Å
206	G	95.7	Very high	94.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.1	-35.5	177.3	0	0	0	0	0	112.8	V203 L204 T210 Y240 D454	V203-G206 PolarHBondContact O-N 3.47Å; L204-G206 PolarHBondContact O-N 2.84Å; G206-T210 VanDerWaalsContact O-CB 3.27Å; G206-T210 WeakPolarHBondContact O-CB 3.4Å; G206-T210 PolarHBondContact O-N 2.89Å; G206-T210 PolarHBondContact O-OG1 3.11Å; G206-Y240 WeakPolarHBondContact CA-OH 3.36Å; G206-Y240 PolarHBondContact N-OH 3.49Å; G206-D454 WeakPolarHBondContact CA-O 3.1Å
207	V	96	Very high	95.2	Very high	5 Å²	5	30 Å²	30	3%	0.03	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-48	178.2	171.2	0	0	0	0	111.1	A177 L183 V203 L204 F205 T210 A211 M445 F453	A177-V207 HydrophobicContact CB-CG1 3.56Å; L183-V207 HydrophobicContact CD1-CG1 4.28Å; V203-V207 HydrophobicContact CG1-CG2 4.1Å; V203-V207 WeakPolarHBondContact O-CG2 3.43Å; V203-V207 PolarHBondContact O-N 3.06Å; L204-V207 PolarHBondContact O-N 3.07Å; L204-V207 VanDerWaalsContact O-N 3.14Å; F205-V207 PolarHBondContact O-N 3.02Å; V207-T210 WeakPolarHBondContact O-CB 3.49Å; V207-T210 PolarHBondContact O-N 2.92Å; V207-A211 PolarHBondContact O-N 3.12Å; V207-M445 HydrophobicContact CG2-CE 4.26Å; V207-M445 HydrophobicContact CG2-SD 3.91Å; V207-F453 HydrophobicContact CG2-CZ 4.18Å
208	V	97.5	Very high	95.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-70.3	-37.4	-178.6	-59.1	0	0	0	0	111.8	L183 I189 L191 L204 F205 T210 A211 Q212 V225 F241	L183-V208 HydrophobicContact CD1-CG1 4.27Å; I189-V208 HydrophobicContact CD1-CG1 4.33Å; I189-V208 HydrophobicContact CG2-CG1 4.26Å; L191-V208 HydrophobicContact CD1-CG2 4.21Å; L204-V208 WeakPolarHBondContact O-CG1 3.31Å; L204-V208 WeakPolarHBondContact O-CG2 3.45Å; L204-V208 PolarHBondContact O-N 3.34Å; F205-V208 WeakPolarHBondContact O-CG2 3.46Å; V208-T210 VanDerWaalsContact C-N 3.32Å; V208-T210 PolarHBondContact O-N 3.41Å; V208-A211 WeakPolarHBondContact O-CB 3.49Å; V208-A211 PolarHBondContact O-N 2.7Å; V208-Q212 WeakPolarHBondContact O-CG 3.13Å; V208-Q212 PolarHBondContact O-N 2.9Å; V208-V225 HydrophobicContact CB-CG2 4.04Å; V208-V225 HydrophobicContact CG2-CG1 4.21Å; V208-V225 HydrophobicContact CG2-CG2 4.09Å; V208-F241 HydrophobicContact CG2-CE1 4.14Å; V208-F241 HydrophobicContact CG2-CZ 4.38Å
209	K	96.2	Very high	95.6	Very high	30 Å²	30	42 Å²	42	13%	0.13	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-41.7	171.7	-76.2	-174	73.4	-172.5	0	111.6	F205 A211 Q212 K213 Y240 F241 D454	F205-K209 WeakPolarHBondContact O-CG 3.38Å; F205-K209 PolarHBondContact O-N 3.3Å; F205-K209 VanDerWaalsContact O-N 3.14Å; K209-A211 VanDerWaalsContact C-N 3.35Å; K209-Q212 PolarHBondContact O-N 3.09Å; K209-K213 WeakPolarHBondContact O-CB 3.23Å; K209-K213 PolarHBondContact O-N 3.37Å; K209-Y240 HydrophobicContact CD-CD1 4.22Å; K209-Y240 HydrophobicContact CD-CE1 3.45Å; K209-Y240 VanDerWaalsContact CD-CE1 3.45Å; K209-Y240 HydrophobicContact CD-CE2 4.43Å; K209-Y240 HydrophobicContact CG-CE1 4.43Å; K209-Y240 PolarHBondContact NZ-O 3.31Å; K209-F241 HydrophobicContact CD-CD1 3.89Å; K209-F241 HydrophobicContact CD-CE1 3.9Å; K209-F241 HydrophobicContact CG-CD1 3.73Å; K209-F241 HydrophobicContact CG-CE1 3.47Å; K209-F241 VanDerWaalsContact CG-CE1 3.47Å; K209-F241 HydrophobicContact CG-CZ 4.39Å; K209-D454 WeakPolarHBondContact CE-OD2 3.4Å; K209-D454 IonicContact NZ-OD2 3.05Å; K209-D454 PolarHBondContact NZ-OD2 2.81Å
210	T	94.7	Very high	95.8	Very high	45 Å²	45	43.9 Å²	43.9	28%	0.276	21%	0.214	S	C	.	.	H	α-helix	trans	-62.2	-43.9	175.8	-60.9	0	0	0	0	111.1	G206 V207 V208 K213 F214	G206-T210 VanDerWaalsContact O-CB 3.27Å; G206-T210 WeakPolarHBondContact O-CB 3.4Å; G206-T210 PolarHBondContact O-N 2.89Å; G206-T210 PolarHBondContact O-OG1 3.11Å; V207-T210 WeakPolarHBondContact O-CB 3.49Å; V207-T210 PolarHBondContact O-N 2.92Å; V208-T210 VanDerWaalsContact C-N 3.32Å; V208-T210 PolarHBondContact O-N 3.41Å; T210-K213 PolarHBondContact O-N 3.07Å; T210-F214 HydrophobicContact CG2-CD2 3.72Å; T210-F214 HydrophobicContact CG2-CE2 3.38Å; T210-F214 HydrophobicContact CG2-CZ 4.12Å; T210-F214 WeakPolarHBondContact O-CD2 3.21Å; T210-F214 PolarHBondContact O-N 3.37Å
211	A	96.7	Very high	95.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-46.7	175.7	0	0	0	0	0	112.1	L181 L183 V207 V208 K209 K213 F214 R215 L223	L181-A211 VanDerWaalsContact O-CB 3.24Å; L181-A211 WeakPolarHBondContact O-CB 3.17Å; L183-A211 HydrophobicContact CD1-CB 4.06Å; L183-A211 HydrophobicContact CG-CB 4.35Å; V207-A211 PolarHBondContact O-N 3.12Å; V208-A211 WeakPolarHBondContact O-CB 3.49Å; V208-A211 PolarHBondContact O-N 2.7Å; K209-A211 VanDerWaalsContact C-N 3.35Å; A211-K213 PolarHBondContact O-N 3.25Å; A211-F214 PolarHBondContact O-N 2.69Å; A211-R215 WeakPolarHBondContact O-CB 3.2Å; A211-R215 WeakPolarHBondContact O-CG 3.42Å; A211-R215 PolarHBondContact O-N 2.78Å; A211-L223 HydrophobicContact CB-CD2 3.84Å
212	Q	97.3	Very high	95.7	Very high	21 Å²	21	48.6 Å²	48.6	10%	0.098	25%	0.248	C	C	.	.	H	α-helix	trans	-55.5	-51.5	174.7	-78.1	178.4	-42.1	0	0	111	D89 T90 V208 K209 F214 R215 T216 L223 V225	D89-Q212 PolarHBondContact O-NE2 2.89Å; T90-Q212 PolarHBondContact OG1-NE2 2.85Å; T90-Q212 VanDerWaalsContact OG1-NE2 3.08Å; T90-Q212 PolarHBondContact OG1-OE1 3Å; V208-Q212 WeakPolarHBondContact O-CG 3.13Å; V208-Q212 PolarHBondContact O-N 2.9Å; K209-Q212 PolarHBondContact O-N 3.09Å; Q212-F214 PolarHBondContact O-N 2.93Å; Q212-R215 PolarHBondContact O-N 3.07Å; Q212-T216 PolarHBondContact O-N 3.31Å; Q212-T216 PolarHBondContact O-OG1 2.88Å; Q212-T216 VanDerWaalsContact O-OG1 3.07Å; Q212-L223 HydrophobicContact CG-CB 4.07Å; Q212-L223 HydrophobicContact CG-CD2 4.44Å; Q212-L223 HydrophobicContact CG-CG 4.46Å; Q212-L223 WeakPolarHBondContact CG-O 3.04Å; Q212-L223 PolarHBondContact NE2-O 2.92Å; Q212-V225 HydrophobicContact CG-CG2 4.37Å
213	K	95.4	Very high	95.8	Very high	131 Å²	131	48.6 Å²	48.6	57%	0.57	25%	0.248	S	C	*	.	H	α-helix	trans	-57	-50.2	179.1	-179	175.2	179.7	-179	0	111.8	K209 T210 A211 T216 H217	K209-K213 WeakPolarHBondContact O-CB 3.23Å; K209-K213 PolarHBondContact O-N 3.37Å; T210-K213 PolarHBondContact O-N 3.07Å; A211-K213 PolarHBondContact O-N 3.25Å; K213-T216 PolarHBondContact O-N 3.32Å; K213-H217 WeakPolarHBondContact CE-NE2 3.43Å; K213-H217 PolarHBondContact O-CD2 3.35Å; K213-H217 PolarHBondContact O-N 3.48Å
214	F	95.2	Very high	95.9	Very high	90 Å²	90	49.9 Å²	49.9	40%	0.395	25%	0.253	S	S	.	.	H	α-helix	trans	-66.1	-40	-179.3	-72.1	-37.3	0	0	0	113	L182 T210 A211 Q212 T216 H217 L218	L182-F214 HydrophobicContact CD2-CB 3.47Å; L182-F214 VanDerWaalsContact CD2-CB 3.47Å; T210-F214 HydrophobicContact CG2-CD2 3.72Å; T210-F214 HydrophobicContact CG2-CE2 3.38Å; T210-F214 HydrophobicContact CG2-CZ 4.12Å; T210-F214 WeakPolarHBondContact O-CD2 3.21Å; T210-F214 PolarHBondContact O-N 3.37Å; A211-F214 PolarHBondContact O-N 2.69Å; Q212-F214 PolarHBondContact O-N 2.93Å; F214-T216 VanDerWaalsContact C-N 3.31Å; F214-T216 PolarHBondContact O-N 2.83Å; F214-H217 PolarHBondContact O-N 3.42Å; F214-L218 WeakPolarHBondContact O-CB 3.39Å; F214-L218 WeakPolarHBondContact O-CG 3.39Å; F214-L218 PolarHBondContact O-N 3.07Å
215	R	97.1	Very high	96	Very high	4 Å²	4	50 Å²	50	2%	0.015	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-42.4	174.1	-76.7	-174	179.2	-161.6	6.6	111.9	L182 L183 E184 Y186 A211 Q212 L218 H219 M220 P221	L182-R215 HydrophobicContact CD2-CG 4Å; L182-R215 VanDerWaalsContact O-CZ 3.28Å; L182-R215 PolarHBondContact O-NE 2.89Å; L182-R215 PolarHBondContact O-NH2 2.89Å; L183-R215 PolarHBondContact O-NH2 3.49Å; E184-R215 VanDerWaalsContact CA-NH2 3.32Å; Y186-R215 PolarHBondContact O-NH1 2.54Å; Y186-R215 PolarHBondContact O-NH2 2.93Å; A211-R215 WeakPolarHBondContact O-CB 3.2Å; A211-R215 WeakPolarHBondContact O-CG 3.42Å; A211-R215 PolarHBondContact O-N 2.78Å; Q212-R215 PolarHBondContact O-N 3.07Å; R215-L218 CarbonylContact O-C 3.52Å; R215-L218 PolarHBondContact O-N 3.32Å; R215-H219 PolarHBondContact O-N 3.09Å; R215-H219 VanDerWaalsContact O-N 3.11Å; R215-M220 HydrophobicContact CB-CB 4.05Å; R215-M220 HydrophobicContact CG-CB 4.16Å; R215-M220 HydrophobicContact CG-SD 4.2Å; R215-M220 PolarHBondContact O-N 2.98Å; R215-P221 WeakPolarHBondContact CD-O 3.44Å; R215-P221 PolarHBondContact NH1-O 3.4Å
216	T	96.1	Very high	96.1	Very high	83 Å²	83	50 Å²	50	51%	0.509	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-46	175	-60.5	0	0	0	0	111.6	Q212 K213 F214 L218 H219	Q212-T216 PolarHBondContact O-N 3.31Å; Q212-T216 PolarHBondContact O-OG1 2.88Å; Q212-T216 VanDerWaalsContact O-OG1 3.07Å; K213-T216 PolarHBondContact O-N 3.32Å; F214-T216 VanDerWaalsContact C-N 3.31Å; F214-T216 PolarHBondContact O-N 2.83Å; T216-L218 VanDerWaalsContact C-N 3.3Å; T216-L218 PolarHBondContact O-N 3.45Å; T216-H219 PolarHBondContact O-N 2.98Å
217	H	95.9	Very high	96.1	Very high	126 Å²	126	50 Å²	50	58%	0.583	25%	0.254	S	S	*	.	H	α-helix	trans	-63.7	-32.4	176.6	-76.5	-69.4	0	0	0	113.6	K213 F214 H219	K213-H217 WeakPolarHBondContact CE-NE2 3.43Å; K213-H217 PolarHBondContact O-CD2 3.35Å; K213-H217 PolarHBondContact O-N 3.48Å; F214-H217 PolarHBondContact O-N 3.42Å; H217-H219 VanDerWaalsContact C-N 3.33Å
218	L	96.5	Very high	96	Very high	105 Å²	105	49.7 Å²	49.7	55%	0.55	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	5.8	179.3	-66.2	175.4	0	0	0	113.5	L182 F214 R215 T216 M220	L182-L218 HydrophobicContact CD1-CD1 3.76Å; L182-L218 HydrophobicContact CD2-CD1 3.9Å; L182-L218 HydrophobicContact CG-CD1 4.47Å; F214-L218 WeakPolarHBondContact O-CB 3.39Å; F214-L218 WeakPolarHBondContact O-CG 3.39Å; F214-L218 PolarHBondContact O-N 3.07Å; R215-L218 CarbonylContact O-C 3.52Å; R215-L218 PolarHBondContact O-N 3.32Å; T216-L218 VanDerWaalsContact C-N 3.3Å; T216-L218 PolarHBondContact O-N 3.45Å; L218-M220 HydrophobicContact CB-CG 3.92Å; L218-M220 HydrophobicContact CB-SD 4.11Å; L218-M220 HydrophobicContact CD1-SD 4.11Å; L218-M220 PolarHBondContact O-N 3.36Å
219	H	94.6	Very high	95.6	Very high	180 Å²	180	49.8 Å²	49.8	83%	0.833	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	34.2	-176.1	-55.9	-65.3	0	0	0	113.7	R215 T216 H217	R215-H219 PolarHBondContact O-N 3.09Å; R215-H219 VanDerWaalsContact O-N 3.11Å; T216-H219 PolarHBondContact O-N 2.98Å; H217-H219 VanDerWaalsContact C-N 3.33Å
220	M	94.7	Very high	94.8	Very high	57 Å²	57	49.3 Å²	49.3	28%	0.281	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-84.9	160.2	174.4	-65.5	177.9	73.9	0	0	110.8	L182 E184 R215 L218	L182-M220 HydrophobicContact CD1-CE 4.49Å; L182-M220 HydrophobicContact CD1-SD 3.92Å; L182-M220 HydrophobicContact CD2-SD 4.33Å; E184-M220 HydrophobicContact CG-CE 4.15Å; R215-M220 HydrophobicContact CB-CB 4.05Å; R215-M220 HydrophobicContact CG-CB 4.16Å; R215-M220 HydrophobicContact CG-SD 4.2Å; R215-M220 PolarHBondContact O-N 2.98Å; L218-M220 HydrophobicContact CB-CG 3.92Å; L218-M220 HydrophobicContact CB-SD 4.11Å; L218-M220 HydrophobicContact CD1-SD 4.11Å; L218-M220 PolarHBondContact O-N 3.36Å
221	P	92.9	Very high	93.5	Very high	85 Å²	85	48.5 Å²	48.5	55%	0.552	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-52.7	130.1	168.9	-25.8	35	0	0	0	111.1	R215	R215-P221 WeakPolarHBondContact CD-O 3.44Å; R215-P221 PolarHBondContact NH1-O 3.4Å
222	P	94.5	Very high	91.8	Very high	58 Å²	58	55.9 Å²	55.9	38%	0.377	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-63.6	140.6	-174.4	25.8	-34.2	0	0	0	110.9	D89 K224	D89-P222 WeakPolarHBondContact OD1-CB 3.48Å; P222-K224 PolarHBondContact O-N 3.42Å
223	L	97.3	Very high	90.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-76.7	117.4	169.3	175.6	64.4	0	0	0	108.7	L183 I189 A211 Q212 V225	L183-L223 HydrophobicContact CD1-CD2 4.28Å; I189-L223 HydrophobicContact CD1-CD1 4.04Å; I189-L223 HydrophobicContact CD1-CD2 4.1Å; I189-L223 HydrophobicContact CG1-CD1 4.07Å; A211-L223 HydrophobicContact CB-CD2 3.84Å; Q212-L223 HydrophobicContact CG-CB 4.07Å; Q212-L223 HydrophobicContact CG-CD2 4.44Å; Q212-L223 HydrophobicContact CG-CG 4.46Å; Q212-L223 WeakPolarHBondContact CG-O 3.04Å; Q212-L223 PolarHBondContact NE2-O 2.92Å; L223-V225 HydrophobicContact CG-CG2 4.32Å
224	K	97.7	Very high	90.1	Very high	27 Å²	27	51.5 Å²	51.5	12%	0.117	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	135.8	173.5	-59.2	-56.3	-170.8	177.3	0	110.2	K86 H88 D89 S187 V188 I189 P222	K86-K224 PolarHBondContact O-NZ 3.31Å; H88-K224 WeakPolarHBondContact O-CD 3.31Å; H88-K224 PolarHBondContact O-NZ 3.1Å; D89-K224 CarbonylContact O-C 3.45Å; D89-K224 WeakPolarHBondContact O-CA 3.23Å; D89-K224 IonicContact OD1-NZ 3.21Å; D89-K224 PolarHBondContact OD1-NZ 3.04Å; S187-K224 PolarHBondContact O-N 3.38Å; V188-K224 CarbonylContact C-O 3.22Å; V188-K224 VanDerWaalsContact CA-O 3.27Å; V188-K224 WeakPolarHBondContact CA-O 3.3Å; V188-K224 HydrophobicContact CB-CB 4.39Å; V188-K224 HydrophobicContact CG1-CB 4.13Å; V188-K224 HydrophobicContact CG2-CB 4.08Å; I189-K224 PolarHBondContact N-O 2.9Å; P222-K224 PolarHBondContact O-N 3.42Å
225	V	98.1	Very high	89.6	Confident	2 Å²	2	52 Å²	52	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.2	178.4	178.4	0	0	0	0	109.4	D89 T90 V91 I189 L191 V208 Q212 L223 I227	D89-V225 PolarHBondContact O-N 3.07Å; T90-V225 CarbonylContact C-O 3.46Å; T90-V225 VanDerWaalsContact CA-O 3.26Å; T90-V225 WeakPolarHBondContact CA-O 3.29Å; T90-V225 HydrophobicContact CG2-CB 4.25Å; T90-V225 HydrophobicContact CG2-CG1 4.25Å; V91-V225 PolarHBondContact N-O 3.35Å; I189-V225 CarbonylContact O-C 3.32Å; I189-V225 VanDerWaalsContact O-CA 3.29Å; I189-V225 WeakPolarHBondContact O-CA 3.47Å; L191-V225 HydrophobicContact CD1-CG1 4.44Å; V208-V225 HydrophobicContact CB-CG2 4.04Å; V208-V225 HydrophobicContact CG2-CG1 4.21Å; V208-V225 HydrophobicContact CG2-CG2 4.09Å; Q212-V225 HydrophobicContact CG-CG2 4.37Å; L223-V225 HydrophobicContact CG-CG2 4.32Å; V225-I227 HydrophobicContact CG1-CG1 4.08Å
226	V	97.5	Very high	89.3	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.9	174.6	-176.3	0	0	0	0	108.2	I85 V91 V188 I189 I190 L191 M228	I85-V226 HydrophobicContact CD1-CG2 3.81Å; I85-V226 HydrophobicContact CG1-CG2 4.04Å; I85-V226 HydrophobicContact CG2-CG2 4.33Å; V91-V226 CarbonylContact O-C 3.53Å; V91-V226 WeakPolarHBondContact O-CA 3.5Å; V188-V226 HydrophobicContact CG1-CG2 4.15Å; I189-V226 PolarHBondContact O-N 3.29Å; I190-V226 CarbonylContact C-O 3.52Å; I190-V226 VanDerWaalsContact CA-O 3.24Å; I190-V226 WeakPolarHBondContact CA-O 3.38Å; I190-V226 HydrophobicContact CG1-CB 4.19Å; I190-V226 HydrophobicContact CG2-CB 4.28Å; I190-V226 HydrophobicContact CG2-CG1 4.46Å; L191-V226 PolarHBondContact N-O 2.81Å; V226-M228 HydrophobicContact CG1-CG 3.98Å; V226-M228 HydrophobicContact CG1-SD 4.45Å
227	I	96.3	Very high	89	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.7	-179.4	-62.1	169.1	0	0	0	107.9	T90 V91 I92 L93 V194 V225 I237 F241	T90-I227 HydrophobicContact CG2-CD1 3.86Å; T90-I227 HydrophobicContact CG2-CG1 4.43Å; V91-I227 PolarHBondContact O-N 3.5Å; I92-I227 CarbonylContact C-O 3.55Å; I92-I227 WeakPolarHBondContact CA-O 3.24Å; I92-I227 HydrophobicContact CG1-CB 4.1Å; I92-I227 HydrophobicContact CG1-CD1 4.14Å; I92-I227 HydrophobicContact CG2-CG2 4.5Å; L93-I227 PolarHBondContact N-O 2.93Å; V194-I227 HydrophobicContact CB-CG2 4.28Å; V194-I227 HydrophobicContact CG1-CG2 3.86Å; V194-I227 HydrophobicContact CG2-CG2 3.58Å; V225-I227 HydrophobicContact CG1-CG1 4.08Å; I227-I237 HydrophobicContact CD1-CG2 3.93Å; I227-I237 HydrophobicContact CG2-CG2 4.08Å; I227-F241 HydrophobicContact CD1-CD1 4.26Å; I227-F241 HydrophobicContact CD1-CD2 3.25Å; I227-F241 HydrophobicContact CD1-CE1 4.13Å; I227-F241 HydrophobicContact CD1-CE2 3.15Å; I227-F241 HydrophobicContact CD1-CG 3.85Å; I227-F241 HydrophobicContact CD1-CZ 3.61Å; I227-F241 HydrophobicContact CG1-CE2 4.41Å
228	M	94.2	Very high	88.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.3	-177.8	-54.1	-166.5	-52.5	0	0	110.4	L93 K101 V105 I190 L191 D192 E193 V194 V226	L93-M228 HydrophobicContact CB-CG 4.24Å; L93-M228 HydrophobicContact CD2-CG 4.36Å; L93-M228 HydrophobicContact CD2-SD 4.06Å; L93-M228 WeakPolarHBondContact O-CA 3.5Å; K101-M228 HydrophobicContact CB-CE 4.09Å; K101-M228 HydrophobicContact CB-SD 3.79Å; K101-M228 HydrophobicContact CD-CB 4.3Å; V105-M228 HydrophobicContact CB-SD 4.11Å; V105-M228 HydrophobicContact CG1-SD 4.25Å; V105-M228 HydrophobicContact CG2-SD 4.06Å; I190-M228 HydrophobicContact CG2-CE 3.36Å; I190-M228 HydrophobicContact CG2-CG 3.84Å; I190-M228 HydrophobicContact CG2-SD 3.74Å; L191-M228 PolarHBondContact O-N 2.96Å; D192-M228 HydrophobicContact CB-CE 3.79Å; D192-M228 WeakPolarHBondContact OD1-CB 3.37Å; D192-M228 WeakPolarHBondContact OD1-CE 3.34Å; D192-M228 WeakPolarHBondContact OD2-CE 3.48Å; E193-M228 PolarHBondContact N-O 2.82Å; V194-M228 PolarHBondContact N-O 2.71Å; V226-M228 HydrophobicContact CG1-CG 3.98Å; V226-M228 HydrophobicContact CG1-SD 4.45Å
229	S	88.6	Confident	88.8	Confident	2 Å²	2	44 Å²	44	1%	0.014	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	156.1	-179.8	-174.8	0	0	0	0	111.4	L93 I94 G95 T231	L93-S229 PolarHBondContact O-N 3.18Å; I94-S229 WeakPolarHBondContact CA-O 3.47Å; G95-S229 PolarHBondContact N-O 2.92Å; S229-T231 PolarHBondContact OG-N 3.14Å; S229-T231 PolarHBondContact OG-O 3.47Å; S229-T231 VanDerWaalsContact OG-O 3.06Å
230	A	78.7	Confident	88.8	Confident	20 Å²	20	36.6 Å²	36.6	17%	0.165	21%	0.205	C	C	.	.	S	Bend	trans	-103.1	-13.9	171.1	0	0	0	0	0	113.1	G95 T97 H195	G95-A230 WeakPolarHBondContact O-CA 3.4Å; T97-A230 HydrophobicContact CG2-CB 4.01Å; H195-A230 PolarHBondContact ND1-N 3.4Å
231	T	68	Low	88.8	Confident	27 Å²	27	34.2 Å²	34.2	17%	0.166	19%	0.193	C	C	.	.	S	Bend	trans	-132.5	166.7	-172.5	61	0	0	0	0	113.1	H195 S229 D233 V234 Q397	H195-T231 WeakPolarHBondContact CB-OG1 3.44Å; S229-T231 PolarHBondContact OG-N 3.14Å; S229-T231 PolarHBondContact OG-O 3.47Å; S229-T231 VanDerWaalsContact OG-O 3.06Å; T231-D233 PolarHBondContact O-N 2.88Å; T231-V234 WeakPolarHBondContact O-CG2 3.23Å; T231-Q397 HydrophobicContact CG2-CG 4.17Å
232	M	61.6	Low	88.8	Confident	155 Å²	155	36.4 Å²	36.4	76%	0.764	20%	0.2	S	C	*	.	S	Bend	trans	-83.8	8.3	-155.6	-82.5	179.1	44.8	0	0	118.6	V234	M232-V234 PolarHBondContact O-N 3.42Å
233	D	75.8	Confident	88.8	Confident	56 Å²	56	39.5 Å²	39.5	30%	0.299	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	42.8	172.5	-164.2	23.1	0	0	0	112.4	R197 T231 H236 I237	R197-D233 IonicContact NH1-OD2 3.9Å; T231-D233 PolarHBondContact O-N 2.88Å; D233-H236 WeakPolarHBondContact OD1-CB 3.24Å; D233-H236 IonicContact OD2-CD2 2.89Å; D233-I237 WeakPolarHBondContact O-CD1 3.31Å; D233-I237 VanDerWaalsContact O-CG1 3.27Å; D233-I237 WeakPolarHBondContact O-CG1 3.42Å; D233-I237 PolarHBondContact O-N 3.45Å
234	V	80	Confident	88.6	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.03	22%	0.216	C	C	.	.	H	α-helix	trans	-84.9	-31.4	-170.6	177.1	0	0	0	0	109.4	I92 I94 T231 M232 H236 I237 S238 V246	I92-V234 HydrophobicContact CG2-CG1 3.81Å; I94-V234 HydrophobicContact CD1-CB 3.87Å; I94-V234 HydrophobicContact CD1-CG1 3.58Å; I94-V234 HydrophobicContact CD1-CG2 3.4Å; I94-V234 HydrophobicContact CG1-CB 4.34Å; I94-V234 HydrophobicContact CG1-CG1 3.98Å; I94-V234 HydrophobicContact CG1-CG2 3.52Å; T231-V234 WeakPolarHBondContact O-CG2 3.23Å; M232-V234 PolarHBondContact O-N 3.42Å; V234-H236 VanDerWaalsContact C-N 3.31Å; V234-H236 PolarHBondContact O-N 3.03Å; V234-I237 PolarHBondContact O-N 3.43Å; V234-S238 WeakPolarHBondContact O-CB 3.37Å; V234-S238 PolarHBondContact O-N 3.26Å; V234-V246 HydrophobicContact CG1-CB 4.2Å; V234-V246 HydrophobicContact CG1-CG1 3.56Å; V234-V246 HydrophobicContact CG1-CG2 3.5Å; V234-V246 VanDerWaalsContact CG1-CG2 3.5Å
235	D	86.1	Confident	88.4	Confident	101 Å²	101	40 Å²	40	54%	0.54	22%	0.219	S	C	.	.	H	α-helix	trans	-61.5	-43.1	175.5	-63	-21.5	0	0	0	110.8	F54 S238 S239	F54-D235 WeakPolarHBondContact CE2-OD1 3.49Å; F54-D235 WeakPolarHBondContact CZ-OD1 3.46Å; D235-S238 PolarHBondContact O-N 3.17Å; D235-S239 VanDerWaalsContact O-CB 3.26Å; D235-S239 WeakPolarHBondContact O-CB 3.36Å; D235-S239 PolarHBondContact O-N 3.42Å
236	H	89.5	Confident	88.1	Confident	65 Å²	65	40.6 Å²	40.6	30%	0.301	22%	0.223	S	C	.	.	H	α-helix	trans	-65.6	-45.1	176.9	-172.3	48.9	0	0	0	111.8	D233 V234 Y240 I456 D457	D233-H236 WeakPolarHBondContact OD1-CB 3.24Å; D233-H236 IonicContact OD2-CD2 2.89Å; V234-H236 VanDerWaalsContact C-N 3.31Å; V234-H236 PolarHBondContact O-N 3.03Å; H236-Y240 WeakPolarHBondContact O-CB 3.45Å; H236-Y240 PolarHBondContact O-N 3.15Å; H236-I456 WeakPolarHBondContact NE2-CG1 3.32Å; H236-D457 IonicContact CD2-OD2 3.17Å; H236-D457 IonicContact NE2-OD1 2.82Å; H236-D457 IonicContact NE2-OD2 2.69Å; H236-D457 PolarHBondContact NE2-OD2 2.98Å
237	I	91.4	Very high	87.8	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-65.1	-43.8	177	-63.9	169.5	0	0	0	110.9	I92 V194 F205 I227 D233 V234 Y240 F241 I456	I92-I237 HydrophobicContact CD1-CB 4.29Å; I92-I237 HydrophobicContact CD1-CG2 3.76Å; I92-I237 HydrophobicContact CG1-CG2 4.3Å; V194-I237 HydrophobicContact CG2-CD1 3.9Å; F205-I237 HydrophobicContact CE2-CG1 4.44Å; F205-I237 HydrophobicContact CZ-CG2 4.49Å; I227-I237 HydrophobicContact CD1-CG2 3.93Å; I227-I237 HydrophobicContact CG2-CG2 4.08Å; D233-I237 WeakPolarHBondContact O-CD1 3.31Å; D233-I237 VanDerWaalsContact O-CG1 3.27Å; D233-I237 WeakPolarHBondContact O-CG1 3.42Å; D233-I237 PolarHBondContact O-N 3.45Å; V234-I237 PolarHBondContact O-N 3.43Å; I237-Y240 PolarHBondContact O-N 2.82Å; I237-F241 HydrophobicContact CG2-CD2 3.95Å; I237-F241 HydrophobicContact CG2-CE2 4.23Å; I237-F241 WeakPolarHBondContact O-CD2 3.46Å; I237-F241 PolarHBondContact O-N 3.49Å; I237-I456 HydrophobicContact CB-CD1 4.47Å; I237-I456 HydrophobicContact CG1-CD1 3.81Å
238	S	93.2	Very high	87.3	Confident	6 Å²	6	45.1 Å²	45.1	4%	0.042	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-48.4	178.6	-179	0	0	0	0	110.4	V234 D235 Y240 F241 D242 N243 A244	V234-S238 WeakPolarHBondContact O-CB 3.37Å; V234-S238 PolarHBondContact O-N 3.26Å; D235-S238 PolarHBondContact O-N 3.17Å; S238-Y240 VanDerWaalsContact C-N 3.25Å; S238-Y240 PolarHBondContact O-N 2.91Å; S238-F241 CarbonylContact O-C 3.23Å; S238-F241 VanDerWaalsContact O-C 3.29Å; S238-F241 PolarHBondContact O-N 3.3Å; S238-F241 VanDerWaalsContact O-N 3.14Å; S238-D242 PolarHBondContact O-N 3.25Å; S238-N243 WeakPolarHBondContact O-CA 3.31Å; S238-N243 PolarHBondContact O-N 3.35Å; S238-A244 PolarHBondContact O-N 3.44Å; S238-A244 PolarHBondContact OG-N 3.39Å; S238-A244 PolarHBondContact OG-O 2.95Å
239	S	93.9	Very high	86.6	Confident	75 Å²	75	45.1 Å²	45.1	52%	0.524	24%	0.241	S	C	.	.	H	α-helix	trans	-58.6	-39.1	176.1	-178.5	0	0	0	0	111.9	D235 D242	D235-S239 VanDerWaalsContact O-CB 3.26Å; D235-S239 WeakPolarHBondContact O-CB 3.36Å; D235-S239 PolarHBondContact O-N 3.42Å; S239-D242 PolarHBondContact O-N 3.4Å
240	Y	94.5	Very high	85.8	Confident	23 Å²	23	50.6 Å²	50.6	9%	0.09	27%	0.267	C	S	.	.	H	α-helix	trans	-69.2	-33.8	178.6	170.9	-93.9	0	0	0	112.8	F205 G206 K209 H236 I237 S238 D242 D454 I456	F205-Y240 HydrophobicContact CB-CE1 3.72Å; F205-Y240 HydrophobicContact CD2-CD1 4.4Å; F205-Y240 HydrophobicContact CD2-CE1 4.21Å; F205-Y240 HydrophobicContact CG-CE1 4.25Å; G206-Y240 WeakPolarHBondContact CA-OH 3.36Å; G206-Y240 PolarHBondContact N-OH 3.49Å; K209-Y240 HydrophobicContact CD-CD1 4.22Å; K209-Y240 HydrophobicContact CD-CE1 3.45Å; K209-Y240 VanDerWaalsContact CD-CE1 3.45Å; K209-Y240 HydrophobicContact CD-CE2 4.43Å; K209-Y240 HydrophobicContact CG-CE1 4.43Å; K209-Y240 PolarHBondContact NZ-O 3.31Å; H236-Y240 WeakPolarHBondContact O-CB 3.45Å; H236-Y240 PolarHBondContact O-N 3.15Å; I237-Y240 PolarHBondContact O-N 2.82Å; S238-Y240 VanDerWaalsContact C-N 3.25Å; S238-Y240 PolarHBondContact O-N 2.91Å; Y240-D242 VanDerWaalsContact C-N 3.3Å; Y240-D242 PolarHBondContact O-N 3.11Å; Y240-D454 PolarHBondContact OH-O 3Å; Y240-I456 HydrophobicContact CD1-CB 4.18Å; Y240-I456 HydrophobicContact CD1-CD1 4.44Å; Y240-I456 HydrophobicContact CD1-CG1 4.39Å; Y240-I456 VanDerWaalsContact CD2-CA 3.48Å; Y240-I456 HydrophobicContact CD2-CB 3.88Å; Y240-I456 HydrophobicContact CD2-CG1 4.18Å; Y240-I456 HydrophobicContact CE1-CB 4.4Å; Y240-I456 HydrophobicContact CE2-CB 4.06Å; Y240-I456 HydrophobicContact CG-CB 3.92Å; Y240-I456 HydrophobicContact CG-CD1 4.3Å; Y240-I456 HydrophobicContact CG-CG1 3.92Å
241	F	95.3	Very high	85.1	Confident	7 Å²	7	50.7 Å²	50.7	3%	0.031	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	44.3	173.4	-74.7	-82.8	0	0	0	112.5	T90 F205 V208 K209 I227 I237 S238 N243 A244	T90-F241 HydrophobicContact CG2-CB 3.94Å; T90-F241 HydrophobicContact CG2-CD1 3.77Å; T90-F241 HydrophobicContact CG2-CE1 4.41Å; T90-F241 HydrophobicContact CG2-CG 3.9Å; F205-F241 HydrophobicContact CB-CE2 4.34Å; F205-F241 HydrophobicContact CB-CZ 3.98Å; F205-F241 AromaticContact CD1-CE2 3.9Å; F205-F241 HydrophobicContact CD1-CE2 3.9Å; F205-F241 AromaticContact CD1-CZ 3.73Å; F205-F241 HydrophobicContact CD1-CZ 3.73Å; F205-F241 AromaticContact CD2-CE2 3.95Å; F205-F241 HydrophobicContact CD2-CE2 3.95Å; F205-F241 HydrophobicContact CD2-CZ 4.38Å; F205-F241 HydrophobicContact CE1-CE2 4.12Å; F205-F241 HydrophobicContact CE1-CZ 4.29Å; F205-F241 HydrophobicContact CE2-CE2 4.19Å; F205-F241 AromaticContact CG-CE2 3.81Å; F205-F241 HydrophobicContact CG-CE2 3.81Å; F205-F241 AromaticContact CG-CZ 3.78Å; F205-F241 HydrophobicContact CG-CZ 3.78Å; F205-F241 HydrophobicContact CZ-CE2 4.26Å; V208-F241 HydrophobicContact CG2-CE1 4.14Å; V208-F241 HydrophobicContact CG2-CZ 4.38Å; K209-F241 HydrophobicContact CD-CD1 3.89Å; K209-F241 HydrophobicContact CD-CE1 3.9Å; K209-F241 HydrophobicContact CG-CD1 3.73Å; K209-F241 HydrophobicContact CG-CE1 3.47Å; K209-F241 VanDerWaalsContact CG-CE1 3.47Å; K209-F241 HydrophobicContact CG-CZ 4.39Å; I227-F241 HydrophobicContact CD1-CD1 4.26Å; I227-F241 HydrophobicContact CD1-CD2 3.25Å; I227-F241 HydrophobicContact CD1-CE1 4.13Å; I227-F241 HydrophobicContact CD1-CE2 3.15Å; I227-F241 HydrophobicContact CD1-CG 3.85Å; I227-F241 HydrophobicContact CD1-CZ 3.61Å; I227-F241 HydrophobicContact CG1-CE2 4.41Å; I237-F241 HydrophobicContact CG2-CD2 3.95Å; I237-F241 HydrophobicContact CG2-CE2 4.23Å; I237-F241 WeakPolarHBondContact O-CD2 3.46Å; I237-F241 PolarHBondContact O-N 3.49Å; S238-F241 CarbonylContact O-C 3.23Å; S238-F241 VanDerWaalsContact O-C 3.29Å; S238-F241 PolarHBondContact O-N 3.3Å; S238-F241 VanDerWaalsContact O-N 3.14Å; F241-N243 VanDerWaalsContact C-N 3.33Å; F241-N243 PolarHBondContact O-N 3.27Å; F241-A244 HydrophobicContact CB-CB 3.86Å; F241-A244 WeakPolarHBondContact O-CB 3.48Å; F241-A244 PolarHBondContact O-N 3.26Å
242	D	93.3	Very high	84.9	Confident	132 Å²	132	55.6 Å²	55.6	71%	0.706	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	40.6	172.2	-54.8	-52.5	0	0	0	114.2	S238 S239 Y240	S238-D242 PolarHBondContact O-N 3.25Å; S239-D242 PolarHBondContact O-N 3.4Å; Y240-D242 VanDerWaalsContact C-N 3.3Å; Y240-D242 PolarHBondContact O-N 3.11Å
243	N	93.3	Very high	85.2	Confident	123 Å²	123	51.8 Å²	51.8	66%	0.658	27%	0.271	S	S	*	.	S	Bend	trans	60.3	42.7	-174	-52.6	-63.2	0	0	0	113	S238 F241	S238-N243 WeakPolarHBondContact O-CA 3.31Å; S238-N243 PolarHBondContact O-N 3.35Å; F241-N243 VanDerWaalsContact C-N 3.33Å; F241-N243 PolarHBondContact O-N 3.27Å
244	A	93.7	Very high	85.5	Confident	6 Å²	6	52.9 Å²	52.9	5%	0.05	27%	0.274	C	S	.	.			trans	-51	136.1	176.8	0	0	0	0	0	111.3	T90 I92 S238 F241 V246	T90-A244 HydrophobicContact CG2-CB 3.95Å; I92-A244 HydrophobicContact CD1-CB 4.14Å; I92-A244 HydrophobicContact CG1-CB 4.26Å; S238-A244 PolarHBondContact O-N 3.44Å; S238-A244 PolarHBondContact OG-N 3.39Å; S238-A244 PolarHBondContact OG-O 2.95Å; F241-A244 HydrophobicContact CB-CB 3.86Å; F241-A244 WeakPolarHBondContact O-CB 3.48Å; F241-A244 PolarHBondContact O-N 3.26Å; A244-V246 PolarHBondContact O-N 3.09Å
245	P	94.2	Very high	85.8	Confident	30 Å²	30	56.6 Å²	56.6	20%	0.195	30%	0.298	C	S	.	.			trans	-60.8	140	-179.3	26.8	-37	0	0	0	111.4	F84 H88 T90 V91 I92	F84-P245 HydrophobicContact CD1-CB 4.1Å; F84-P245 HydrophobicContact CD1-CG 4.27Å; F84-P245 HydrophobicContact CE1-CB 4.31Å; H88-P245 HydrophobicContact CB-CG 4.22Å; T90-P245 WeakPolarHBondContact O-CD 3.47Å; V91-P245 HydrophobicContact CG2-CG 4.18Å; I92-P245 PolarHBondContact N-O 3.34Å
246	V	91.6	Very high	86.1	Confident	15 Å²	15	53.6 Å²	53.6	9%	0.091	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	121.9	179.9	-178.6	0	0	0	0	108.9	F54 I92 I94 V234 A244	F54-V246 HydrophobicContact CD1-CB 4.38Å; F54-V246 HydrophobicContact CD1-CG2 4.36Å; F54-V246 HydrophobicContact CE1-CG2 4.28Å; I92-V246 HydrophobicContact CB-CG2 4.33Å; I92-V246 HydrophobicContact CD1-CG2 4.38Å; I92-V246 CarbonylContact O-C 3.54Å; I92-V246 WeakPolarHBondContact O-CA 3.41Å; I94-V246 HydrophobicContact CD1-CG1 3.28Å; I94-V246 HydrophobicContact CG1-CG1 3.88Å; V234-V246 HydrophobicContact CG1-CB 4.2Å; V234-V246 HydrophobicContact CG1-CG1 3.56Å; V234-V246 HydrophobicContact CG1-CG2 3.5Å; V234-V246 VanDerWaalsContact CG1-CG2 3.5Å; A244-V246 PolarHBondContact O-N 3.09Å
247	V	90	Very high	86.4	Confident	4 Å²	4	56 Å²	56	2%	0.024	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.2	173.1	-177.8	0	0	0	0	108	L57 L81 F84 V91 I92 L93 I94	L57-V247 HydrophobicContact CD1-CG1 4.17Å; L81-V247 HydrophobicContact CD1-CG2 4.44Å; F84-V247 HydrophobicContact CB-CG2 4.45Å; F84-V247 HydrophobicContact CD2-CG2 3.9Å; F84-V247 HydrophobicContact CE2-CG2 4.4Å; F84-V247 HydrophobicContact CG-CG2 4.17Å; V91-V247 HydrophobicContact CG1-CG2 4.07Å; I92-V247 PolarHBondContact O-N 3.4Å; L93-V247 WeakPolarHBondContact CA-O 3.39Å; L93-V247 HydrophobicContact CD1-CB 4.09Å; L93-V247 HydrophobicContact CD1-CG1 4.02Å; I94-V247 PolarHBondContact N-O 3.22Å
248	Y	85.7	Confident	86.7	Confident	92 Å²	92	59.6 Å²	59.6	36%	0.361	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.9	175.6	-168.9	-101	0	0	0	110	I94 E250	I94-Y248 HydrophobicContact CB-CD2 3.77Å; I94-Y248 HydrophobicContact CB-CE2 4.31Å; I94-Y248 HydrophobicContact CD1-CD2 4.11Å; I94-Y248 HydrophobicContact CG2-CD2 3.72Å; I94-Y248 HydrophobicContact CG2-CE2 3.73Å; Y248-E250 HydrophobicContact CD1-CG 3.87Å; Y248-E250 HydrophobicContact CE1-CB 4.45Å; Y248-E250 HydrophobicContact CE1-CG 3.42Å; Y248-E250 VanDerWaalsContact CE1-CG 3.42Å
249	C	79.8	Confident	86.9	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	106.8	173.2	-71.8	0	0	0	0	109.4	Y77 L93 I94 G95 G251	Y77-C249 HydrophobicContact CD2-CB 4.08Å; Y77-C249 VanDerWaalsContact CD2-SG 3.52Å; Y77-C249 HydrophobicContact CE2-CB 4.2Å; L93-C249 HydrophobicContact CD1-CB 4.38Å; L93-C249 VanDerWaalsContact CD1-SG 3.54Å; I94-C249 PolarHBondContact O-N 2.82Å; G95-C249 WeakPolarHBondContact CA-O 3.4Å; C249-G251 PolarHBondContact O-N 3.2Å
250	E	71.8	Confident	87	Confident	116 Å²	116	62.4 Å²	62.4	54%	0.542	32%	0.315	S	S	.	.			trans	-60.8	128.9	172.9	-80	-179.2	-179.6	0	0	110.8	Y248	Y248-E250 HydrophobicContact CD1-CG 3.87Å; Y248-E250 HydrophobicContact CE1-CB 4.45Å; Y248-E250 HydrophobicContact CE1-CG 3.42Å; Y248-E250 VanDerWaalsContact CE1-CG 3.42Å
251	G	65.1	Low	87	Confident	23 Å²	23	63.7 Å²	63.7	24%	0.237	32%	0.323	C	S	.	.			trans	-79.8	167	169.7	0	0	0	0	0	111.4	C249	C249-G251 PolarHBondContact O-N 3.2Å
252	R	63.4	Low	86.7	Confident	129 Å²	129	71.1 Å²	71.1	49%	0.487	36%	0.363	S	S	.	.			trans	-93.6	98.4	161	-65.7	-174	-169.9	167.8	11	107.5	P73	P73-R252 HydrophobicContact CG-CG 4.49Å
253	T	67.4	Low	86.5	Confident	76 Å²	76	71.6 Å²	71.6	47%	0.466	37%	0.365	S	S	.	.			trans	-105.4	131.9	169.2	39.4	0	0	0	0	110.4	E96	E96-T253 WeakPolarHBondContact OE2-CG2 3.15Å; E96-T253 PolarHBondContact OE2-OG1 3.09Å
254	H	82.3	Confident	85.9	Confident	78 Å²	78	71 Å²	71	36%	0.361	36%	0.362	S	S	.	.			trans	-79.5	152.4	164.1	-64.6	-85.6	0	0	0	109.3	G403 M406 P407	H254-G403 WeakPolarHBondContact CB-O 3.23Å; H254-G403 PolarHBondContact CD2-O 3.08Å; H254-G403 PolarHBondContact N-O 3.24Å; H254-G403 WeakPolarHBondContact O-CA 3.34Å; H254-M406 VanDerWaalsContact CB-C 3.45Å; H254-M406 PolarHBondContact CD2-N 3.19Å; H254-P407 HydrophobicContact CB-CB 4.35Å; H254-P407 HydrophobicContact CB-CG 4.02Å
255	P	87.2	Confident	85.3	Confident	83 Å²	83	73.4 Å²	73.4	54%	0.539	38%	0.378	S	S	.	.			trans	-60.7	141.8	-178.9	24.5	-34.3	0	0	0	111.8	P407 G408	P255-P407 HydrophobicContact CG-CB 4.32Å; P255-P407 WeakPolarHBondContact O-CA 3.49Å; P255-G408 PolarHBondContact O-N 3.02Å; P255-G408 VanDerWaalsContact O-N 3.14Å
256	V	91.6	Very high	84.6	Confident	39 Å²	39	81.2 Å²	81.2	24%	0.236	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.5	173.7	-177.1	0	0	0	0	109.1	L258 A402 G408 C410	V256-L258 HydrophobicContact CG1-CD2 4.23Å; V256-A402 HydrophobicContact CG1-CB 4.07Å; V256-A402 HydrophobicContact CG2-CB 4.03Å; V256-A402 WeakPolarHBondContact CG2-O 3.47Å; V256-G408 WeakPolarHBondContact CA-O 3.3Å; V256-C410 HydrophobicContact CG1-CB 3.87Å
257	H	96	Very high	84.6	Confident	115 Å²	115	84.6 Å²	84.6	53%	0.532	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127	175	-69.9	-75.9	0	0	0	110.7	F259 G408 E409 C410	H257-F259 HydrophobicContact CB-CE2 4.02Å; H257-F259 HydrophobicContact CB-CZ 4.41Å; H257-G408 PolarHBondContact N-O 3.34Å; H257-E409 HydrophobicContact CB-CG 4.36Å; H257-E409 CarbonylContact O-C 3.55Å; H257-E409 WeakPolarHBondContact O-CA 3.31Å; H257-C410 PolarHBondContact O-N 3.2Å
258	L	97	Very high	84.9	Confident	79 Å²	79	86.2 Å²	86.2	41%	0.414	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133.1	-178.1	-54.8	-178.7	0	0	0	110.8	V256 Y260 A399 C410	V256-L258 HydrophobicContact CG1-CD2 4.23Å; L258-Y260 HydrophobicContact CB-CE2 4.36Å; L258-A399 HydrophobicContact CD2-CB 4.07Å; L258-C410 HydrophobicContact CD2-CB 3.8Å
259	F	97.4	Very high	85.3	Confident	83 Å²	83	83.4 Å²	83.4	36%	0.364	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	141.1	173.6	-60.4	-88.7	0	0	0	109.7	H257 E409 C410 Y411 R412	H257-F259 HydrophobicContact CB-CE2 4.02Å; H257-F259 HydrophobicContact CB-CZ 4.41Å; F259-E409 HydrophobicContact CD2-CB 4.49Å; F259-E409 HydrophobicContact CE2-CB 4Å; F259-E409 HydrophobicContact CE2-CG 4.08Å; F259-C410 PolarHBondContact N-O 3.29Å; F259-Y411 HydrophobicContact CB-CD1 3.91Å; F259-Y411 HydrophobicContact CB-CE1 4.28Å; F259-Y411 HydrophobicContact CB-CG 4.43Å; F259-Y411 HydrophobicContact CD2-CD1 4.09Å; F259-Y411 HydrophobicContact CD2-CD2 4.44Å; F259-Y411 AromaticContact CD2-CE1 3.84Å; F259-Y411 HydrophobicContact CD2-CE1 3.84Å; F259-Y411 HydrophobicContact CD2-CE2 4.19Å; F259-Y411 HydrophobicContact CD2-CG 4.38Å; F259-Y411 AromaticContact CD2-CZ 3.88Å; F259-Y411 HydrophobicContact CE2-CE1 4.32Å; F259-Y411 HydrophobicContact CE2-CE2 4.42Å; F259-Y411 HydrophobicContact CG-CD1 4.09Å; F259-Y411 AromaticContact CG-CE1 3.97Å; F259-Y411 HydrophobicContact CG-CE1 3.97Å; F259-R412 WeakPolarHBondContact O-CB 3.47Å; F259-R412 PolarHBondContact O-N 3.44Å
260	Y	96.8	Very high	86	Confident	57 Å²	57	89.1 Å²	89.1	22%	0.224	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	159.1	176.8	-64.4	-87.9	0	0	0	110.4	L258 R412 F414 E416 Y419	L258-Y260 HydrophobicContact CB-CE2 4.36Å; Y260-R412 HydrophobicContact CD1-CB 3.91Å; Y260-R412 HydrophobicContact CE1-CB 4.18Å; Y260-R412 HydrophobicContact CE1-CG 4.31Å; Y260-R412 PolarHBondContact OH-NH1 3Å; Y260-F414 HydrophobicContact CE1-CE2 4.37Å; Y260-E416 HydrophobicContact CD1-CB 4.05Å; Y260-E416 HydrophobicContact CD2-CB 4.05Å; Y260-E416 HydrophobicContact CD2-CG 4.41Å; Y260-E416 HydrophobicContact CE1-CB 4.24Å; Y260-E416 HydrophobicContact CE1-CG 4.47Å; Y260-E416 HydrophobicContact CE2-CB 4.25Å; Y260-E416 HydrophobicContact CE2-CG 4.15Å; Y260-E416 HydrophobicContact CG-CB 3.93Å; Y260-Y419 HydrophobicContact CE1-CG 4.33Å
261	L	93.7	Very high	87.2	Confident	51 Å²	51	84.9 Å²	84.9	27%	0.267	43%	0.431	S	S	.	.			trans	-75.6	145.2	166.9	-64.9	-179.3	0	0	0	110.7	R412 V413 F414 T415	L261-R412 PolarHBondContact N-O 3.03Å; L261-V413 HydrophobicContact CD1-CB 4.11Å; L261-V413 VanDerWaalsContact CD1-O 3.3Å; L261-V413 WeakPolarHBondContact CD1-O 3.32Å; L261-F414 PolarHBondContact N-O 2.86Å; L261-T415 WeakPolarHBondContact O-CA 3.37Å; L261-T415 WeakPolarHBondContact O-CG2 3.4Å
262	D	89.8	Confident	88.7	Confident	163 Å²	163	83.8 Å²	83.8	87%	0.872	42%	0.42	S	S	*	.	S	Bend	trans	-71.5	-32.2	174.6	-65.8	-37.6	0	0	0	112.6
263	L	88.3	Confident	90.3	Very high	141 Å²	141	78.7 Å²	78.7	74%	0.738	40%	0.402	S	S	*	.	S	Bend	trans	-127	140.6	-176.8	-67.2	173.2	0	0	0	110.7	S265	L263-S265 PolarHBondContact O-N 2.9Å
264	N	81.5	Confident	91.7	Very high	111 Å²	111	78.1 Å²	78.1	59%	0.594	40%	0.399	S	S	*	.			trans	-61.8	133.6	171.3	-74.9	-36.7	0	0	0	109.6	T415	N264-T415 HydrophobicContact CB-CG2 4.44Å; N264-T415 WeakPolarHBondContact OD1-CB 3.37Å; N264-T415 WeakPolarHBondContact OD1-CG2 3.42Å; N264-T415 PolarHBondContact OD1-OG1 3.46Å
265	S	81.8	Confident	92.4	Very high	56 Å²	56	75.1 Å²	75.1	39%	0.392	39%	0.386	S	S	.	.			trans	-128.9	131.2	177.9	179.9	0	0	0	0	109.2	L263 N267 N271	L263-S265 PolarHBondContact O-N 2.9Å; S265-N267 VanDerWaalsContact C-N 3.28Å; S265-N267 PolarHBondContact O-N 3.29Å; S265-N271 WeakPolarHBondContact CB-ND2 3.41Å; S265-N271 PolarHBondContact OG-ND2 2.79Å
266	E	79.2	Confident	92.9	Very high	194 Å²	194	71.2 Å²	71.2	91%	0.907	36%	0.36	S	S	*	.	S	Bend	trans	-71	-26.9	178.4	-63.3	-169.7	164.2	0	0	112	Y268	E266-Y268 PolarHBondContact O-N 2.87Å
267	N	91.8	Very high	93.2	Very high	87 Å²	87	71.6 Å²	71.6	47%	0.465	36%	0.359	S	S	.	.			trans	-96.7	64.3	-175.8	-163.3	-13.5	0	0	0	112.3	S265 F269 F270 N271	S265-N267 VanDerWaalsContact C-N 3.28Å; S265-N267 PolarHBondContact O-N 3.29Å; N267-F269 PolarHBondContact O-N 2.76Å; N267-F270 HydrophobicContact CB-CB 4.27Å; N267-F270 VanDerWaalsContact CG-CB 3.46Å; N267-F270 PolarHBondContact O-N 2.79Å; N267-F270 WeakPolarHBondContact OD1-CB 3.33Å; N267-F270 PolarHBondContact OD1-N 2.85Å; N267-N271 PolarHBondContact O-N 2.82Å; N267-N271 VanDerWaalsContact O-N 3.17Å; N267-N271 PolarHBondContact O-ND2 3.49Å
268	Y	94.5	Very high	93.2	Very high	37 Å²	37	71.5 Å²	71.5	15%	0.145	36%	0.359	C	S	.	.	H	α-helix	trans	-55.3	-34	176.3	64.5	-92.8	0	0	0	112.3	E266 N271 C272 T294 E298 K370	E266-Y268 PolarHBondContact O-N 2.87Å; Y268-N271 PolarHBondContact O-N 3.48Å; Y268-C272 PolarHBondContact O-N 3.03Å; Y268-C272 PolarHBondContact O-SG 2.74Å; Y268-T294 HydrophobicContact CE2-CG2 4.28Å; Y268-E298 PolarHBondContact OH-OE1 3.11Å; Y268-K370 HydrophobicContact CD1-CG 4.11Å; Y268-K370 HydrophobicContact CD2-CG 4.41Å; Y268-K370 HydrophobicContact CE1-CG 4.04Å; Y268-K370 HydrophobicContact CE2-CG 4.33Å; Y268-K370 HydrophobicContact CG-CG 4.29Å
269	F	94.9	Very high	93.2	Very high	34 Å²	34	67.8 Å²	67.8	15%	0.149	34%	0.339	C	S	.	.	H	α-helix	trans	-59.5	-49.5	178.3	179.5	-90.9	0	0	0	111.8	N267 C272 L273 L293 E298 V301 A302 K305	N267-F269 PolarHBondContact O-N 2.76Å; F269-C272 PolarHBondContact O-N 2.85Å; F269-L273 HydrophobicContact CD1-CD1 4.25Å; F269-L273 HydrophobicContact CE1-CD1 3.55Å; F269-L273 HydrophobicContact CE1-CG 4.35Å; F269-L273 HydrophobicContact CZ-CD1 3.94Å; F269-L273 PolarHBondContact O-N 2.72Å; F269-L293 HydrophobicContact CD2-CD1 4.11Å; F269-L293 HydrophobicContact CD2-CD2 4.37Å; F269-L293 HydrophobicContact CE2-CD1 3.96Å; F269-E298 HydrophobicContact CD2-CB 4.24Å; F269-E298 HydrophobicContact CD2-CG 4.49Å; F269-E298 HydrophobicContact CE2-CB 4.14Å; F269-E298 WeakPolarHBondContact CE2-O 3.19Å; F269-V301 HydrophobicContact CE1-CG1 4.39Å; F269-V301 HydrophobicContact CZ-CB 4.29Å; F269-V301 HydrophobicContact CZ-CG1 3.86Å; F269-A302 HydrophobicContact CE2-CB 3.89Å; F269-A302 HydrophobicContact CZ-CB 3.98Å; F269-K305 HydrophobicContact CE1-CD 4.34Å
270	F	95	Very high	93.1	Very high	119 Å²	119	65.3 Å²	65.3	52%	0.522	33%	0.329	S	S	.	.	H	α-helix	trans	-62.9	-44.5	176.7	178.4	-101.2	0	0	0	111.5	N267 C272 L273 V274	N267-F270 HydrophobicContact CB-CB 4.27Å; N267-F270 VanDerWaalsContact CG-CB 3.46Å; N267-F270 PolarHBondContact O-N 2.79Å; N267-F270 WeakPolarHBondContact OD1-CB 3.33Å; N267-F270 PolarHBondContact OD1-N 2.85Å; F270-C272 VanDerWaalsContact C-N 3.32Å; F270-C272 PolarHBondContact O-N 2.75Å; F270-L273 PolarHBondContact O-N 3.48Å; F270-L273 VanDerWaalsContact O-N 3.12Å; F270-V274 HydrophobicContact CD1-CG2 3.98Å; F270-V274 HydrophobicContact CD2-CG2 4.47Å; F270-V274 HydrophobicContact CE1-CG2 3.53Å; F270-V274 HydrophobicContact CE2-CG2 4.07Å; F270-V274 HydrophobicContact CG-CG2 4.43Å; F270-V274 HydrophobicContact CZ-CG2 3.58Å; F270-V274 WeakPolarHBondContact O-CG2 3.27Å; F270-V274 PolarHBondContact O-N 3.31Å
271	N	96	Very high	92.9	Very high	27 Å²	27	73.2 Å²	73.2	14%	0.144	36%	0.358	C	S	.	.	H	α-helix	trans	-63.2	-37.5	-179.9	-61.7	-24.7	0	0	0	112.4	S265 N267 Y268 L273 V274 T275 V413	S265-N271 WeakPolarHBondContact CB-ND2 3.41Å; S265-N271 PolarHBondContact OG-ND2 2.79Å; N267-N271 PolarHBondContact O-N 2.82Å; N267-N271 VanDerWaalsContact O-N 3.17Å; N267-N271 PolarHBondContact O-ND2 3.49Å; Y268-N271 PolarHBondContact O-N 3.48Å; N271-L273 VanDerWaalsContact C-N 3.35Å; N271-L273 PolarHBondContact O-N 2.83Å; N271-V274 PolarHBondContact O-N 2.99Å; N271-T275 VanDerWaalsContact O-CB 3.29Å; N271-T275 WeakPolarHBondContact O-CB 3.09Å; N271-T275 PolarHBondContact O-N 3.24Å; N271-T275 PolarHBondContact O-OG1 3.37Å; N271-V413 HydrophobicContact CB-CB 4.08Å; N271-V413 HydrophobicContact CB-CG1 4.18Å
272	C	97.4	Very high	93	Very high	1 Å²	1	75 Å²	75	1%	0.007	37%	0.371	C	S	.	.	H	α-helix	trans	-57	-49.2	172.4	-75.6	0	0	0	0	110.9	Y268 F269 F270 T275 V276 V291 L293 V366 V413	Y268-C272 PolarHBondContact O-N 3.03Å; Y268-C272 PolarHBondContact O-SG 2.74Å; F269-C272 PolarHBondContact O-N 2.85Å; F270-C272 VanDerWaalsContact C-N 3.32Å; F270-C272 PolarHBondContact O-N 2.75Å; C272-T275 PolarHBondContact O-N 2.87Å; C272-V276 VanDerWaalsContact O-CG2 3.26Å; C272-V276 WeakPolarHBondContact O-CG2 3.35Å; C272-V276 PolarHBondContact O-N 3.13Å; C272-V291 HydrophobicContact CB-CG1 4.13Å; C272-L293 HydrophobicContact CB-CD2 4.3Å; C272-V366 HydrophobicContact CB-CG1 4.07Å; C272-V413 WeakPolarHBondContact SG-CG2 3.4Å
273	L	96.9	Very high	93.2	Very high	21 Å²	21	69.7 Å²	69.7	11%	0.11	34%	0.341	C	S	.	.	H	α-helix	trans	-64.5	-43.1	-179.3	-64.9	-177.4	0	0	0	112.5	F269 F270 N271 T275 V276 F277 A302 K305	F269-L273 HydrophobicContact CD1-CD1 4.25Å; F269-L273 HydrophobicContact CE1-CD1 3.55Å; F269-L273 HydrophobicContact CE1-CG 4.35Å; F269-L273 HydrophobicContact CZ-CD1 3.94Å; F269-L273 PolarHBondContact O-N 2.72Å; F270-L273 PolarHBondContact O-N 3.48Å; F270-L273 VanDerWaalsContact O-N 3.12Å; N271-L273 VanDerWaalsContact C-N 3.35Å; N271-L273 PolarHBondContact O-N 2.83Å; L273-T275 VanDerWaalsContact C-N 3.32Å; L273-T275 PolarHBondContact O-N 3.14Å; L273-V276 PolarHBondContact O-N 2.72Å; L273-F277 VanDerWaalsContact O-CD2 3.32Å; L273-F277 WeakPolarHBondContact O-CD2 3.4Å; L273-F277 PolarHBondContact O-N 3.01Å; L273-A302 HydrophobicContact CD2-CB 3.92Å; L273-K305 HydrophobicContact CD1-CB 4.27Å; L273-K305 HydrophobicContact CD1-CD 3.8Å
274	V	96.2	Very high	93.4	Very high	65 Å²	65	66.3 Å²	66.3	39%	0.394	33%	0.327	S	S	.	.	H	α-helix	trans	-59.6	-46.4	175.6	172.6	0	0	0	0	110.5	F270 N271 V276 F277 Q278	F270-V274 HydrophobicContact CD1-CG2 3.98Å; F270-V274 HydrophobicContact CD2-CG2 4.47Å; F270-V274 HydrophobicContact CE1-CG2 3.53Å; F270-V274 HydrophobicContact CE2-CG2 4.07Å; F270-V274 HydrophobicContact CG-CG2 4.43Å; F270-V274 HydrophobicContact CZ-CG2 3.58Å; F270-V274 WeakPolarHBondContact O-CG2 3.27Å; F270-V274 PolarHBondContact O-N 3.31Å; N271-V274 PolarHBondContact O-N 2.99Å; V274-V276 PolarHBondContact O-N 3.03Å; V274-F277 PolarHBondContact O-N 2.84Å; V274-Q278 WeakPolarHBondContact O-CB 3.46Å; V274-Q278 PolarHBondContact O-N 3Å
275	T	97.5	Very high	93.8	Very high	14 Å²	14	64.7 Å²	64.7	9%	0.086	32%	0.318	C	S	.	.	H	α-helix	trans	-61.9	-41.9	179.7	-55.7	0	0	0	0	111.5	N271 C272 L273 F277 Q278 I279 V366 Y411	N271-T275 VanDerWaalsContact O-CB 3.29Å; N271-T275 WeakPolarHBondContact O-CB 3.09Å; N271-T275 PolarHBondContact O-N 3.24Å; N271-T275 PolarHBondContact O-OG1 3.37Å; C272-T275 PolarHBondContact O-N 2.87Å; L273-T275 VanDerWaalsContact C-N 3.32Å; L273-T275 PolarHBondContact O-N 3.14Å; T275-F277 PolarHBondContact O-N 3.19Å; T275-Q278 PolarHBondContact O-N 2.87Å; T275-I279 HydrophobicContact CG2-CD1 3.87Å; T275-I279 HydrophobicContact CG2-CG1 4.4Å; T275-I279 VanDerWaalsContact O-CG1 3.28Å; T275-I279 WeakPolarHBondContact O-CG1 3.05Å; T275-I279 PolarHBondContact O-N 3.33Å; T275-V366 HydrophobicContact CG2-CG1 4.12Å; T275-V366 HydrophobicContact CG2-CG2 3.86Å; T275-Y411 HydrophobicContact CG2-CD1 4.01Å; T275-Y411 HydrophobicContact CG2-CG 3.89Å
276	V	98	Very high	94.1	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.006	32%	0.324	C	S	.	.	H	α-helix	trans	-55.5	-49.3	175.2	167	0	0	0	0	111.5	C272 L273 V274 I279 H280 I289 V291 I346 V366	C272-V276 VanDerWaalsContact O-CG2 3.26Å; C272-V276 WeakPolarHBondContact O-CG2 3.35Å; C272-V276 PolarHBondContact O-N 3.13Å; L273-V276 PolarHBondContact O-N 2.72Å; V274-V276 PolarHBondContact O-N 3.03Å; V276-I279 PolarHBondContact O-N 2.55Å; V276-H280 WeakPolarHBondContact O-CB 3.39Å; V276-H280 PolarHBondContact O-N 3.17Å; V276-I289 HydrophobicContact CG1-CD1 4.29Å; V276-I289 HydrophobicContact CG2-CG2 4.26Å; V276-V291 HydrophobicContact CG2-CG2 3.41Å; V276-V291 VanDerWaalsContact CG2-CG2 3.41Å; V276-I346 HydrophobicContact CG1-CD1 3.7Å; V276-I346 HydrophobicContact CG1-CG1 4.22Å; V276-I346 HydrophobicContact CG1-CG2 3.91Å; V276-V366 HydrophobicContact CG2-CG2 4.21Å
277	F	96.5	Very high	94.8	Very high	47 Å²	47	57.4 Å²	57.4	21%	0.206	28%	0.281	C	S	.	.	H	α-helix	trans	-73.8	-29.4	-179.1	-76.7	-68.1	0	0	0	113.1	L273 V274 T275 R281 C306 V309 L310	L273-F277 VanDerWaalsContact O-CD2 3.32Å; L273-F277 WeakPolarHBondContact O-CD2 3.4Å; L273-F277 PolarHBondContact O-N 3.01Å; V274-F277 PolarHBondContact O-N 2.84Å; T275-F277 PolarHBondContact O-N 3.19Å; F277-R281 WeakPolarHBondContact O-CB 3.32Å; F277-R281 PolarHBondContact O-N 3.28Å; F277-C306 HydrophobicContact CZ-CB 4.22Å; F277-V309 HydrophobicContact CD1-CG1 4Å; F277-V309 HydrophobicContact CD2-CG1 4.36Å; F277-V309 HydrophobicContact CE1-CB 4.01Å; F277-V309 HydrophobicContact CE1-CG1 3.51Å; F277-V309 HydrophobicContact CE2-CB 3.93Å; F277-V309 HydrophobicContact CE2-CG1 3.92Å; F277-V309 HydrophobicContact CE2-CG2 4.14Å; F277-V309 HydrophobicContact CG-CG1 4.41Å; F277-V309 HydrophobicContact CZ-CB 3.49Å; F277-V309 VanDerWaalsContact CZ-CB 3.49Å; F277-V309 HydrophobicContact CZ-CG1 3.48Å; F277-V309 VanDerWaalsContact CZ-CG1 3.48Å; F277-V309 HydrophobicContact CZ-CG2 4.2Å; F277-L310 HydrophobicContact CE1-CD2 4.06Å; F277-L310 HydrophobicContact CE1-CG 4.15Å; F277-L310 HydrophobicContact CZ-CG 4.48Å
278	Q	96.1	Very high	95	Very high	113 Å²	113	53.4 Å²	53.4	53%	0.528	26%	0.259	S	S	.	.	H	α-helix	trans	-63.7	-47.3	170.6	-177	175.8	-11.8	0	0	111.2	V274 T275 R281 T282	V274-Q278 WeakPolarHBondContact O-CB 3.46Å; V274-Q278 PolarHBondContact O-N 3Å; T275-Q278 PolarHBondContact O-N 2.87Å; Q278-R281 PolarHBondContact O-N 3.08Å; Q278-T282 WeakPolarHBondContact O-CB 3.23Å; Q278-T282 WeakPolarHBondContact O-CG2 3.43Å; Q278-T282 PolarHBondContact O-N 3.47Å; Q278-T282 PolarHBondContact O-OG1 2.49Å
279	I	97	Very high	95.1	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-50	175.6	-67.7	163.4	0	0	0	109.8	T275 V276 R281 T282 K283 I289 Y364 V366 Y411	T275-I279 HydrophobicContact CG2-CD1 3.87Å; T275-I279 HydrophobicContact CG2-CG1 4.4Å; T275-I279 VanDerWaalsContact O-CG1 3.28Å; T275-I279 WeakPolarHBondContact O-CG1 3.05Å; T275-I279 PolarHBondContact O-N 3.33Å; V276-I279 PolarHBondContact O-N 2.55Å; I279-R281 PolarHBondContact O-N 2.56Å; I279-T282 PolarHBondContact O-N 2.89Å; I279-K283 HydrophobicContact CG2-CB 4.15Å; I279-K283 HydrophobicContact CG2-CG 4.03Å; I279-K283 VanDerWaalsContact O-CB 3.3Å; I279-K283 WeakPolarHBondContact O-CB 3.29Å; I279-K283 PolarHBondContact O-N 3.32Å; I279-I289 HydrophobicContact CB-CD1 3.94Å; I279-I289 HydrophobicContact CG2-CD1 3.59Å; I279-I289 HydrophobicContact CG2-CG1 3.94Å; I279-Y364 HydrophobicContact CG2-CD1 4Å; I279-Y364 HydrophobicContact CG2-CD2 3.86Å; I279-Y364 HydrophobicContact CG2-CE2 4.39Å; I279-Y364 HydrophobicContact CG2-CG 3.65Å; I279-V366 HydrophobicContact CD1-CG2 3.58Å; I279-Y411 HydrophobicContact CD1-CD2 3.55Å; I279-Y411 HydrophobicContact CD1-CE2 3.74Å; I279-Y411 HydrophobicContact CD1-CG 4.08Å; I279-Y411 HydrophobicContact CG1-CD2 4.16Å; I279-Y411 HydrophobicContact CG1-CE2 3.86Å
280	H	95.2	Very high	95.3	Very high	31 Å²	31	50.1 Å²	50.1	14%	0.144	25%	0.246	C	C	.	.	H	α-helix	trans	-56.3	-39.4	-178.9	178.3	49.3	0	0	0	112.7	V276 I289 V318	V276-H280 WeakPolarHBondContact O-CB 3.39Å; V276-H280 PolarHBondContact O-N 3.17Å; H280-I289 HydrophobicContact CB-CD1 4.47Å; H280-V318 WeakPolarHBondContact CE1-CG2 3.38Å
281	R	93.6	Very high	95.4	Very high	224 Å²	224	44.6 Å²	44.6	85%	0.845	22%	0.222	S	C	*	.	H	α-helix	trans	-77.5	-33.1	179.9	-176.6	178.1	173.7	-171.1	-1.3	114	F277 Q278 I279	F277-R281 WeakPolarHBondContact O-CB 3.32Å; F277-R281 PolarHBondContact O-N 3.28Å; Q278-R281 PolarHBondContact O-N 3.08Å; I279-R281 PolarHBondContact O-N 2.56Å
282	T	95	Very high	95.5	Very high	88 Å²	88	43.3 Å²	43.3	54%	0.54	22%	0.215	S	C	.	.	H	α-helix	trans	-107.4	-17.2	-167.1	60.7	0	0	0	0	114.5	Q278 I279	Q278-T282 WeakPolarHBondContact O-CB 3.23Å; Q278-T282 WeakPolarHBondContact O-CG2 3.43Å; Q278-T282 PolarHBondContact O-N 3.47Å; Q278-T282 PolarHBondContact O-OG1 2.49Å; I279-T282 PolarHBondContact O-N 2.89Å
283	K	95.5	Very high	95.5	Very high	52 Å²	52	43.4 Å²	43.4	23%	0.226	22%	0.215	C	C	.	.	S	Bend	trans	-110.1	152.1	-174.8	-60.4	-66.4	-179.5	159.1	0	111.9	I279 L285 R344 Y364 E409 Y411	I279-K283 HydrophobicContact CG2-CB 4.15Å; I279-K283 HydrophobicContact CG2-CG 4.03Å; I279-K283 VanDerWaalsContact O-CB 3.3Å; I279-K283 WeakPolarHBondContact O-CB 3.29Å; I279-K283 PolarHBondContact O-N 3.32Å; K283-L285 PolarHBondContact O-N 3.34Å; K283-R344 PolarHBondContact O-NH2 2.96Å; K283-Y364 HydrophobicContact CB-CE1 3.91Å; K283-Y364 HydrophobicContact CB-CE2 4.24Å; K283-Y364 HydrophobicContact CD-CE1 4.21Å; K283-Y364 HydrophobicContact CG-CE1 3.91Å; K283-E409 WeakPolarHBondContact CE-OE2 3.48Å; K283-E409 IonicContact NZ-OE1 2.85Å; K283-E409 PolarHBondContact NZ-OE1 3.03Å; K283-E409 IonicContact NZ-OE2 2.67Å; K283-E409 PolarHBondContact NZ-OE2 3.48Å; K283-Y411 WeakPolarHBondContact CE-OH 3.47Å; K283-Y411 PolarHBondContact NZ-OH 3.5Å
284	P	92.1	Very high	95.3	Very high	69 Å²	69	43 Å²	43	45%	0.448	21%	0.214	S	C	.	.			trans	-48.6	137.1	174.4	-30.2	36.8	0	0	0	113	D286 R344	P284-D286 VanDerWaalsContact C-N 3.26Å; P284-D286 VanDerWaalsContact CB-OD1 3.23Å; P284-D286 WeakPolarHBondContact CB-OD1 3.49Å; P284-D286 PolarHBondContact O-N 3.22Å; P284-R344 PolarHBondContact O-NH2 3.19Å
285	L	90.6	Very high	94.9	Very high	77 Å²	77	40.4 Å²	40.4	40%	0.403	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-19.9	-175.7	-66.7	177.8	0	0	0	113.2	K283 G287 S343	K283-L285 PolarHBondContact O-N 3.34Å; L285-G287 PolarHBondContact O-N 3.05Å; L285-S343 CarbonylContact C-O 3.56Å
286	D	87.7	Confident	94.3	Very high	98 Å²	98	41.9 Å²	41.9	52%	0.524	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	14.5	-179.3	70	-12.3	0	0	0	115.8	P284 N361 R363	P284-D286 VanDerWaalsContact C-N 3.26Å; P284-D286 VanDerWaalsContact CB-OD1 3.23Å; P284-D286 WeakPolarHBondContact CB-OD1 3.49Å; P284-D286 PolarHBondContact O-N 3.22Å; D286-N361 PolarHBondContact O-OD1 3.21Å; D286-N361 VanDerWaalsContact O-OD1 3.12Å; D286-R363 IonicContact OD1-NH1 2.83Å; D286-R363 PolarHBondContact OD1-NH1 3.07Å; D286-R363 IonicContact OD2-NH1 3.7Å
287	G	92.6	Very high	93.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-141.2	132.5	179.5	0	0	0	0	0	112.5	L285 R344	L285-G287 PolarHBondContact O-N 3.05Å; G287-R344 VanDerWaalsContact O-CZ 3.29Å; G287-R344 PolarHBondContact O-NH1 3.36Å
288	D	96.2	Very high	93.2	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	156.5	-178.2	-62.8	-34.3	0	0	0	112.4	R345 N361 R363 Y364	D288-R345 WeakPolarHBondContact CA-O 2.8Å; D288-R345 HydrophobicContact CB-CB 4.18Å; D288-R345 WeakPolarHBondContact CB-O 3.46Å; D288-R345 WeakPolarHBondContact OD1-CB 3.45Å; D288-R345 PolarHBondContact OD1-N 3.32Å; D288-R345 IonicContact OD1-NE 3.28Å; D288-R345 IonicContact OD2-CZ 3.67Å; D288-R345 IonicContact OD2-NE 2.76Å; D288-R345 PolarHBondContact OD2-NE 3.26Å; D288-R345 IonicContact OD2-NH2 3.34Å; D288-R345 PolarHBondContact OD2-NH2 3.36Å; D288-N361 WeakPolarHBondContact CB-O 3.49Å; D288-N361 PolarHBondContact N-O 3.21Å; D288-N361 PolarHBondContact OD1-ND2 3.25Å; D288-N361 WeakPolarHBondContact OD2-CB 3.48Å; D288-N361 PolarHBondContact OD2-ND2 3.28Å; D288-R363 PolarHBondContact O-N 3.39Å; D288-Y364 PolarHBondContact O-N 3.34Å
289	I	98	Very high	93.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	124.5	178.8	-50.2	177.5	0	0	0	108.9	V276 I279 H280 V291 R345 I346 I347 Y364 V366	V276-I289 HydrophobicContact CG1-CD1 4.29Å; V276-I289 HydrophobicContact CG2-CG2 4.26Å; I279-I289 HydrophobicContact CB-CD1 3.94Å; I279-I289 HydrophobicContact CG2-CD1 3.59Å; I279-I289 HydrophobicContact CG2-CG1 3.94Å; H280-I289 HydrophobicContact CB-CD1 4.47Å; I289-V291 HydrophobicContact CG2-CG2 4Å; I289-R345 PolarHBondContact N-O 3.35Å; I289-I346 HydrophobicContact CD1-CG1 4.35Å; I289-I346 CarbonylContact O-C 3.59Å; I289-I346 WeakPolarHBondContact O-CA 3.24Å; I289-I347 PolarHBondContact O-N 3.17Å; I289-Y364 CarbonylContact C-O 3.29Å; I289-Y364 VanDerWaalsContact CA-O 3.31Å; I289-Y364 WeakPolarHBondContact CA-O 3.49Å; I289-Y364 HydrophobicContact CG1-CD2 4.27Å; I289-V366 HydrophobicContact CG2-CG2 3.98Å
290	L	97.6	Very high	92.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.1	171.1	176.1	62.8	0	0	0	109.8	F292 I347 A349 A353 I359 V362 Y364 I365 V366 R401	L290-F292 HydrophobicContact CD2-CE2 3.76Å; L290-F292 HydrophobicContact CD2-CZ 3.72Å; L290-F292 HydrophobicContact CG-CD2 4.49Å; L290-F292 HydrophobicContact CG-CE2 3.9Å; L290-F292 HydrophobicContact CG-CZ 4.17Å; L290-I347 CarbonylContact C-O 3.56Å; L290-I347 WeakPolarHBondContact CA-O 3.45Å; L290-I347 HydrophobicContact CD1-CB 3.91Å; L290-I347 HydrophobicContact CD1-CG2 3.69Å; L290-A349 HydrophobicContact CD1-CB 3.83Å; L290-A353 HydrophobicContact CD1-CB 4.14Å; L290-A353 HydrophobicContact CD2-CB 4.14Å; L290-I359 HydrophobicContact CD1-CD1 4.31Å; L290-I359 HydrophobicContact CD2-CD1 4.36Å; L290-V362 HydrophobicContact CB-CG1 3.77Å; L290-V362 HydrophobicContact CB-CG2 4.43Å; L290-V362 HydrophobicContact CD2-CG1 4.34Å; L290-Y364 PolarHBondContact N-O 3.45Å; L290-I365 HydrophobicContact CB-CD1 3.8Å; L290-I365 HydrophobicContact CD2-CD1 4.02Å; L290-I365 HydrophobicContact CG-CD1 4.28Å; L290-I365 CarbonylContact O-C 3.49Å; L290-I365 WeakPolarHBondContact O-CA 3.41Å; L290-V366 PolarHBondContact O-N 3.03Å; L290-R401 HydrophobicContact CD2-CB 4.02Å; L290-R401 HydrophobicContact CD2-CG 4.29Å
291	V	98.4	Very high	92.4	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.3	-174.6	-171.2	0	0	0	0	109.5	C272 V276 I289 L293 I346 I347 V348 A349 V366	C272-V291 HydrophobicContact CB-CG1 4.13Å; V276-V291 HydrophobicContact CG2-CG2 3.41Å; V276-V291 VanDerWaalsContact CG2-CG2 3.41Å; I289-V291 HydrophobicContact CG2-CG2 4Å; V291-L293 HydrophobicContact CG1-CG 4.37Å; V291-I346 HydrophobicContact CG2-CG2 4.41Å; V291-I347 PolarHBondContact N-O 2.93Å; V291-V348 HydrophobicContact CB-CG1 4.24Å; V291-V348 HydrophobicContact CB-CG2 4.43Å; V291-V348 HydrophobicContact CG1-CG1 4.43Å; V291-V348 HydrophobicContact CG2-CG2 4.48Å; V291-A349 PolarHBondContact O-N 3.45Å; V291-V366 CarbonylContact C-O 3.54Å; V291-V366 VanDerWaalsContact CA-O 3.3Å; V291-V366 WeakPolarHBondContact CA-O 3.5Å; V291-V366 HydrophobicContact CB-CB 4.44Å; V291-V366 HydrophobicContact CG1-CB 4.14Å; V291-V366 HydrophobicContact CG1-CG1 4.24Å; V291-V366 HydrophobicContact CG2-CB 4.21Å
292	F	97.9	Very high	92.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	114	177.3	-71.8	-85.5	0	0	0	111.6	L290 A349 A353 E354 I365 V366 S368 R398 R401	L290-F292 HydrophobicContact CD2-CE2 3.76Å; L290-F292 HydrophobicContact CD2-CZ 3.72Å; L290-F292 HydrophobicContact CG-CD2 4.49Å; L290-F292 HydrophobicContact CG-CE2 3.9Å; L290-F292 HydrophobicContact CG-CZ 4.17Å; F292-A349 WeakPolarHBondContact CA-O 3.48Å; F292-A353 HydrophobicContact CE1-CB 3.69Å; F292-A353 HydrophobicContact CZ-CB 3.94Å; F292-E354 HydrophobicContact CD1-CG 4.45Å; F292-E354 HydrophobicContact CE1-CG 3.86Å; F292-I365 HydrophobicContact CD2-CG2 3.94Å; F292-I365 HydrophobicContact CE2-CG2 3.92Å; F292-V366 PolarHBondContact N-O 2.79Å; F292-S368 WeakPolarHBondContact O-CB 3.39Å; F292-S368 PolarHBondContact O-N 3.3Å; F292-S368 PolarHBondContact O-OG 3.43Å; F292-R398 HydrophobicContact CD1-CG 3.89Å; F292-R398 HydrophobicContact CD2-CB 3.85Å; F292-R398 HydrophobicContact CD2-CG 3.81Å; F292-R398 HydrophobicContact CE1-CG 3.79Å; F292-R398 HydrophobicContact CE2-CB 3.62Å; F292-R398 HydrophobicContact CE2-CG 3.72Å; F292-R398 HydrophobicContact CG-CB 4.43Å; F292-R398 HydrophobicContact CG-CG 3.89Å; F292-R398 HydrophobicContact CZ-CB 4.01Å; F292-R398 HydrophobicContact CZ-CG 3.71Å; F292-R401 HydrophobicContact CZ-CG 4.14Å
293	L	97.1	Very high	92.5	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.016	17%	0.171	C	C	.	.			trans	-119.8	175.7	173	-66.6	-178.5	0	0	0	111	F269 C272 V291 E298 I299 A302 V348 A349 T350	F269-L293 HydrophobicContact CD2-CD1 4.11Å; F269-L293 HydrophobicContact CD2-CD2 4.37Å; F269-L293 HydrophobicContact CE2-CD1 3.96Å; C272-L293 HydrophobicContact CB-CD2 4.3Å; V291-L293 HydrophobicContact CG1-CG 4.37Å; L293-E298 HydrophobicContact CD1-CB 4.31Å; L293-I299 HydrophobicContact CB-CG1 4.02Å; L293-I299 HydrophobicContact CD1-CG1 4.41Å; L293-A302 HydrophobicContact CD1-CB 3.79Å; L293-V348 HydrophobicContact CD1-CG1 3.6Å; L293-V348 HydrophobicContact CG-CG1 4.09Å; L293-A349 PolarHBondContact N-O 3.02Å; L293-T350 WeakPolarHBondContact O-CA 3.5Å
294	T	92.6	Very high	92.3	Very high	12 Å²	12	31.5 Å²	31.5	7%	0.074	18%	0.183	C	C	.	.	S	Bend	trans	-89	-27.4	-165.3	71.7	0	0	0	0	114.4	Y268 E298 K370 K372 V387	Y268-T294 HydrophobicContact CE2-CG2 4.28Å; T294-E298 PolarHBondContact N-OE2 3.24Å; T294-E298 PolarHBondContact OG1-OE1 3.31Å; T294-E298 PolarHBondContact OG1-OE2 2.66Å; T294-K370 HydrophobicContact CG2-CB 3.52Å; T294-K372 WeakPolarHBondContact O-CB 3.36Å; T294-V387 HydrophobicContact CG2-CG1 3.83Å; T294-V387 HydrophobicContact CG2-CG2 4.28Å
295	G	88.5	Confident	92.4	Very high	12 Å²	12	32.9 Å²	32.9	12%	0.124	18%	0.182	C	C	.	.	S	Bend	trans	-169.4	173	-174.7	0	0	0	0	0	115.1	D297 E298 I299	G295-D297 PolarHBondContact O-N 3.39Å; G295-E298 PolarHBondContact O-N 2.57Å; G295-I299 VanDerWaalsContact O-CG1 3.3Å; G295-I299 WeakPolarHBondContact O-CG1 3.18Å; G295-I299 PolarHBondContact O-N 3.37Å; G295-I299 VanDerWaalsContact O-N 3.07Å
296	Q	83.8	Confident	92.6	Very high	44 Å²	44	29.2 Å²	29.2	21%	0.206	16%	0.163	C	C	.	.	H	α-helix	trans	-52.7	-49.7	-174.9	172.9	171.8	-4	0	0	113.4	E298 I299 D300 Y324 T326	Q296-E298 VanDerWaalsContact C-N 3.31Å; Q296-E298 PolarHBondContact O-N 3.42Å; Q296-I299 PolarHBondContact O-N 2.67Å; Q296-I299 VanDerWaalsContact O-N 3.11Å; Q296-D300 WeakPolarHBondContact CG-OD2 3.46Å; Q296-D300 PolarHBondContact NE2-OD2 3.29Å; Q296-D300 PolarHBondContact O-N 3.2Å; Q296-Y324 HydrophobicContact CB-CD1 4.5Å; Q296-Y324 HydrophobicContact CB-CD2 4.3Å; Q296-Y324 HydrophobicContact CB-CE1 4.39Å; Q296-Y324 HydrophobicContact CB-CE2 4.21Å; Q296-Y324 HydrophobicContact CB-CG 4.45Å; Q296-Y324 HydrophobicContact CG-CD2 4.35Å; Q296-Y324 HydrophobicContact CG-CE1 4.03Å; Q296-Y324 HydrophobicContact CG-CE2 3.76Å; Q296-T326 PolarHBondContact OE1-OG1 2.79Å
297	D	82.9	Confident	92.9	Very high	90 Å²	90	29.9 Å²	29.9	48%	0.481	16%	0.161	S	C	.	.	H	α-helix	trans	-59.4	-41.7	-175.6	-62.3	-33.5	0	0	0	111.8	G295 V301	G295-D297 PolarHBondContact O-N 3.39Å; D297-V301 VanDerWaalsContact O-CG2 3.25Å; D297-V301 WeakPolarHBondContact O-CG2 3.39Å; D297-V301 PolarHBondContact O-N 3.29Å
298	E	89.5	Confident	92.9	Very high	48 Å²	48	34.8 Å²	34.8	22%	0.224	18%	0.184	C	C	.	.	H	α-helix	trans	-67.4	-43.5	175.5	-68.4	-179.4	171.2	0	0	111.4	Y268 F269 L293 T294 G295 Q296 V301 A302	Y268-E298 PolarHBondContact OH-OE1 3.11Å; F269-E298 HydrophobicContact CD2-CB 4.24Å; F269-E298 HydrophobicContact CD2-CG 4.49Å; F269-E298 HydrophobicContact CE2-CB 4.14Å; F269-E298 WeakPolarHBondContact CE2-O 3.19Å; L293-E298 HydrophobicContact CD1-CB 4.31Å; T294-E298 PolarHBondContact N-OE2 3.24Å; T294-E298 PolarHBondContact OG1-OE1 3.31Å; T294-E298 PolarHBondContact OG1-OE2 2.66Å; G295-E298 PolarHBondContact O-N 2.57Å; Q296-E298 VanDerWaalsContact C-N 3.31Å; Q296-E298 PolarHBondContact O-N 3.42Å; E298-V301 PolarHBondContact O-N 2.91Å; E298-A302 WeakPolarHBondContact O-CB 3.17Å; E298-A302 PolarHBondContact O-N 2.92Å
299	I	92.4	Very high	92.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63	-46.3	-178.8	-68.6	170.6	0	0	0	110.9	L293 G295 Q296 V301 A302 V303 P322 Y324 V348 T350	L293-I299 HydrophobicContact CB-CG1 4.02Å; L293-I299 HydrophobicContact CD1-CG1 4.41Å; G295-I299 VanDerWaalsContact O-CG1 3.3Å; G295-I299 WeakPolarHBondContact O-CG1 3.18Å; G295-I299 PolarHBondContact O-N 3.37Å; G295-I299 VanDerWaalsContact O-N 3.07Å; Q296-I299 PolarHBondContact O-N 2.67Å; Q296-I299 VanDerWaalsContact O-N 3.11Å; I299-V301 VanDerWaalsContact C-N 3.3Å; I299-V301 PolarHBondContact O-N 3.19Å; I299-A302 PolarHBondContact O-N 3.38Å; I299-V303 HydrophobicContact CG2-CG2 4.18Å; I299-V303 WeakPolarHBondContact O-CB 3.37Å; I299-V303 VanDerWaalsContact O-CG2 3.26Å; I299-V303 WeakPolarHBondContact O-CG2 3.36Å; I299-V303 PolarHBondContact O-N 2.84Å; I299-P322 HydrophobicContact CG2-CB 3.73Å; I299-Y324 HydrophobicContact CB-CD1 4.06Å; I299-Y324 HydrophobicContact CB-CE1 4.19Å; I299-Y324 HydrophobicContact CD1-CD1 3.79Å; I299-Y324 HydrophobicContact CD1-CG 4.47Å; I299-Y324 HydrophobicContact CG2-CD1 3.75Å; I299-Y324 HydrophobicContact CG2-CE1 3.77Å; I299-V348 HydrophobicContact CB-CG1 4.35Å; I299-V348 HydrophobicContact CG1-CG1 4.01Å; I299-V348 HydrophobicContact CG2-CB 4.06Å; I299-V348 HydrophobicContact CG2-CG1 4.08Å; I299-V348 WeakPolarHBondContact CG2-O 3.45Å; I299-T350 HydrophobicContact CD1-CG2 3.43Å; I299-T350 VanDerWaalsContact CD1-CG2 3.43Å
300	D	88.6	Confident	92.6	Very high	62 Å²	62	37.5 Å²	37.5	33%	0.332	20%	0.201	S	C	.	.	H	α-helix	trans	-63.4	-38.7	-179.4	-70.9	-19.1	0	0	0	110.9	Q296 A304 Y324	Q296-D300 WeakPolarHBondContact CG-OD2 3.46Å; Q296-D300 PolarHBondContact NE2-OD2 3.29Å; Q296-D300 PolarHBondContact O-N 3.2Å; D300-A304 WeakPolarHBondContact O-CB 3.43Å; D300-A304 PolarHBondContact O-N 2.69Å; D300-Y324 WeakPolarHBondContact OD1-CE1 3.24Å; D300-Y324 PolarHBondContact OD1-OH 2.91Å; D300-Y324 PolarHBondContact OD2-OH 3.28Å
301	V	90.1	Very high	92.3	Very high	70 Å²	70	46.2 Å²	46.2	42%	0.424	23%	0.233	S	C	.	.	H	α-helix	trans	-66.3	-43.8	173.5	175.2	0	0	0	0	111.5	F269 D297 E298 I299 A304 K305	F269-V301 HydrophobicContact CE1-CG1 4.39Å; F269-V301 HydrophobicContact CZ-CB 4.29Å; F269-V301 HydrophobicContact CZ-CG1 3.86Å; D297-V301 VanDerWaalsContact O-CG2 3.25Å; D297-V301 WeakPolarHBondContact O-CG2 3.39Å; D297-V301 PolarHBondContact O-N 3.29Å; E298-V301 PolarHBondContact O-N 2.91Å; I299-V301 VanDerWaalsContact C-N 3.3Å; I299-V301 PolarHBondContact O-N 3.19Å; V301-A304 PolarHBondContact O-N 3.42Å; V301-K305 HydrophobicContact CG1-CD 4.15Å; V301-K305 HydrophobicContact CG1-CG 4.45Å; V301-K305 WeakPolarHBondContact O-CB 3.46Å; V301-K305 WeakPolarHBondContact O-CG 3.45Å; V301-K305 PolarHBondContact O-N 3.32Å
302	A	95.6	Very high	92	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-61.4	-45.7	177.1	0	0	0	0	0	111.4	F269 L273 L293 E298 I299 A304 K305 C306 V348	F269-A302 HydrophobicContact CE2-CB 3.89Å; F269-A302 HydrophobicContact CZ-CB 3.98Å; L273-A302 HydrophobicContact CD2-CB 3.92Å; L293-A302 HydrophobicContact CD1-CB 3.79Å; E298-A302 WeakPolarHBondContact O-CB 3.17Å; E298-A302 PolarHBondContact O-N 2.92Å; I299-A302 PolarHBondContact O-N 3.38Å; A302-A304 PolarHBondContact O-N 3.15Å; A302-K305 PolarHBondContact O-N 3.22Å; A302-C306 WeakPolarHBondContact O-CB 3.36Å; A302-C306 PolarHBondContact O-N 2.81Å; A302-C306 PolarHBondContact O-SG 3.34Å; A302-V348 HydrophobicContact CB-CG1 4.07Å
303	V	94.6	Very high	91.6	Very high	11 Å²	11	56.5 Å²	56.5	7%	0.067	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-44.5	177.4	170.2	0	0	0	0	111	I299 C306 K307 V320 P322 V348	I299-V303 HydrophobicContact CG2-CG2 4.18Å; I299-V303 WeakPolarHBondContact O-CB 3.37Å; I299-V303 VanDerWaalsContact O-CG2 3.26Å; I299-V303 WeakPolarHBondContact O-CG2 3.36Å; I299-V303 PolarHBondContact O-N 2.84Å; V303-C306 PolarHBondContact O-N 2.72Å; V303-K307 HydrophobicContact CG1-CD 4.19Å; V303-K307 WeakPolarHBondContact O-CG 3.09Å; V303-K307 PolarHBondContact O-N 2.99Å; V303-V320 HydrophobicContact CB-CG1 4.21Å; V303-V320 HydrophobicContact CG1-CB 4.49Å; V303-V320 HydrophobicContact CG1-CG1 4Å; V303-V320 HydrophobicContact CG2-CG1 4.07Å; V303-P322 HydrophobicContact CG2-CB 4.09Å; V303-V348 HydrophobicContact CG2-CB 4.22Å; V303-V348 HydrophobicContact CG2-CG2 4.14Å
304	A	91.2	Very high	91	Very high	58 Å²	58	59.3 Å²	59.3	48%	0.479	32%	0.32	S	S	.	.	H	α-helix	trans	-61.9	-48.1	177.4	0	0	0	0	0	111.8	D300 V301 A302 C306 K307 E308	D300-A304 WeakPolarHBondContact O-CB 3.43Å; D300-A304 PolarHBondContact O-N 2.69Å; V301-A304 PolarHBondContact O-N 3.42Å; A302-A304 PolarHBondContact O-N 3.15Å; A304-C306 PolarHBondContact O-N 2.86Å; A304-K307 PolarHBondContact O-N 3.49Å; A304-E308 WeakPolarHBondContact O-CB 3.37Å; A304-E308 PolarHBondContact O-N 3.22Å
305	K	94.5	Very high	90.7	Very high	98 Å²	98	60.5 Å²	60.5	43%	0.426	33%	0.328	S	S	.	.	H	α-helix	trans	-62.2	-42.9	177.6	-75	-176.3	174.7	-172.8	0	112.3	F269 L273 V301 A302 K307 E308 V309	F269-K305 HydrophobicContact CE1-CD 4.34Å; L273-K305 HydrophobicContact CD1-CB 4.27Å; L273-K305 HydrophobicContact CD1-CD 3.8Å; V301-K305 HydrophobicContact CG1-CD 4.15Å; V301-K305 HydrophobicContact CG1-CG 4.45Å; V301-K305 WeakPolarHBondContact O-CB 3.46Å; V301-K305 WeakPolarHBondContact O-CG 3.45Å; V301-K305 PolarHBondContact O-N 3.32Å; A302-K305 PolarHBondContact O-N 3.22Å; K305-K307 VanDerWaalsContact C-N 3.35Å; K305-K307 PolarHBondContact O-N 2.94Å; K305-E308 PolarHBondContact O-N 3.17Å; K305-V309 WeakPolarHBondContact O-CG2 3.48Å; K305-V309 PolarHBondContact O-N 3.17Å
306	C	95.7	Very high	90.4	Very high	0 Å²	0	69 Å²	69	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-60.9	-45.5	177.3	-73.8	0	0	0	0	111.4	F277 A302 V303 A304 E308 V309 L310 V320	F277-C306 HydrophobicContact CZ-CB 4.22Å; A302-C306 WeakPolarHBondContact O-CB 3.36Å; A302-C306 PolarHBondContact O-N 2.81Å; A302-C306 PolarHBondContact O-SG 3.34Å; V303-C306 PolarHBondContact O-N 2.72Å; A304-C306 PolarHBondContact O-N 2.86Å; C306-E308 VanDerWaalsContact C-N 3.34Å; C306-E308 PolarHBondContact O-N 2.9Å; C306-V309 PolarHBondContact O-N 3.29Å; C306-L310 WeakPolarHBondContact O-CB 3.27Å; C306-L310 VanDerWaalsContact O-CG 3.23Å; C306-L310 WeakPolarHBondContact O-CG 3.49Å; C306-L310 PolarHBondContact O-N 3.42Å; C306-V320 HydrophobicContact CB-CG1 3.88Å; C306-V320 HydrophobicContact CB-CG2 3.93Å
307	K	94	Very high	90.6	Very high	112 Å²	112	70 Å²	70	49%	0.487	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-38.8	177	-73.2	176.9	177.7	179.2	0	112.7	V303 A304 K305 R311 V320	V303-K307 HydrophobicContact CG1-CD 4.19Å; V303-K307 WeakPolarHBondContact O-CG 3.09Å; V303-K307 PolarHBondContact O-N 2.99Å; A304-K307 PolarHBondContact O-N 3.49Å; K305-K307 VanDerWaalsContact C-N 3.35Å; K305-K307 PolarHBondContact O-N 2.94Å; K307-R311 WeakPolarHBondContact O-CB 3.39Å; K307-R311 PolarHBondContact O-N 2.78Å; K307-V320 HydrophobicContact CG-CB 4.04Å; K307-V320 HydrophobicContact CG-CG2 4.05Å
308	E	92.8	Very high	91.1	Very high	102 Å²	102	66.6 Å²	66.6	48%	0.477	35%	0.353	S	S	.	.	H	α-helix	trans	-62.1	-49	176.6	-179.7	176.4	-161.9	0	0	111.6	A304 K305 C306 R311 L312	A304-E308 WeakPolarHBondContact O-CB 3.37Å; A304-E308 PolarHBondContact O-N 3.22Å; K305-E308 PolarHBondContact O-N 3.17Å; C306-E308 VanDerWaalsContact C-N 3.34Å; C306-E308 PolarHBondContact O-N 2.9Å; E308-R311 PolarHBondContact O-N 2.94Å; E308-L312 HydrophobicContact CG-CD1 4.22Å; E308-L312 WeakPolarHBondContact O-CG 3.43Å; E308-L312 PolarHBondContact O-N 3.3Å
309	V	93.5	Very high	91.3	Very high	54 Å²	54	66.1 Å²	66.1	33%	0.327	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-46.6	178.1	173.4	0	0	0	0	111	F277 K305 C306 R311 L312 T313	F277-V309 HydrophobicContact CD1-CG1 4Å; F277-V309 HydrophobicContact CD2-CG1 4.36Å; F277-V309 HydrophobicContact CE1-CB 4.01Å; F277-V309 HydrophobicContact CE1-CG1 3.51Å; F277-V309 HydrophobicContact CE2-CB 3.93Å; F277-V309 HydrophobicContact CE2-CG1 3.92Å; F277-V309 HydrophobicContact CE2-CG2 4.14Å; F277-V309 HydrophobicContact CG-CG1 4.41Å; F277-V309 HydrophobicContact CZ-CB 3.49Å; F277-V309 VanDerWaalsContact CZ-CB 3.49Å; F277-V309 HydrophobicContact CZ-CG1 3.48Å; F277-V309 VanDerWaalsContact CZ-CG1 3.48Å; F277-V309 HydrophobicContact CZ-CG2 4.2Å; K305-V309 WeakPolarHBondContact O-CG2 3.48Å; K305-V309 PolarHBondContact O-N 3.17Å; C306-V309 PolarHBondContact O-N 3.29Å; V309-R311 VanDerWaalsContact C-N 3.31Å; V309-R311 PolarHBondContact O-N 3.36Å; V309-L312 PolarHBondContact O-N 3.43Å; V309-L312 VanDerWaalsContact O-N 3.12Å; V309-T313 HydrophobicContact CG1-CG2 4.5Å; V309-T313 PolarHBondContact O-N 3.29Å; V309-T313 PolarHBondContact O-OG1 3.39Å; V309-T313 VanDerWaalsContact O-OG1 3.08Å
310	L	93.7	Very high	91.5	Very high	7 Å²	7	66.3 Å²	66.3	4%	0.037	35%	0.353	C	S	.	.	H	α-helix	trans	-58.7	-41.8	178.5	-70.9	167.6	0	0	0	112.4	F277 C306 T313 G314 V315 V318 V320	F277-L310 HydrophobicContact CE1-CD2 4.06Å; F277-L310 HydrophobicContact CE1-CG 4.15Å; F277-L310 HydrophobicContact CZ-CG 4.48Å; C306-L310 WeakPolarHBondContact O-CB 3.27Å; C306-L310 VanDerWaalsContact O-CG 3.23Å; C306-L310 WeakPolarHBondContact O-CG 3.49Å; C306-L310 PolarHBondContact O-N 3.42Å; L310-T313 WeakPolarHBondContact CA-OG1 3.3Å; L310-T313 PolarHBondContact O-N 2.99Å; L310-T313 PolarHBondContact O-OG1 2.88Å; L310-G314 PolarHBondContact O-N 2.92Å; L310-G314 VanDerWaalsContact O-N 3.13Å; L310-V315 HydrophobicContact CD2-CB 3.96Å; L310-V315 HydrophobicContact CD2-CG1 3.88Å; L310-V315 PolarHBondContact O-N 2.95Å; L310-V318 HydrophobicContact CD1-CB 3.91Å; L310-V318 HydrophobicContact CD1-CG1 3.61Å; L310-V318 HydrophobicContact CD2-CB 3.94Å; L310-V318 HydrophobicContact CD2-CG1 4.03Å; L310-V318 HydrophobicContact CD2-CG2 4.2Å; L310-V318 HydrophobicContact CG-CG1 4.49Å; L310-V320 HydrophobicContact CD1-CG2 3.5Å; L310-V320 VanDerWaalsContact CD1-CG2 3.5Å
311	R	91.4	Very high	91.8	Very high	184 Å²	184	64 Å²	64	69%	0.694	34%	0.341	S	S	*	.	H	α-helix	trans	-62.9	-43.4	175.2	-176.6	-174.5	65.4	-176.6	-1.6	111.7	K307 E308 V309 T313 G314	K307-R311 WeakPolarHBondContact O-CB 3.39Å; K307-R311 PolarHBondContact O-N 2.78Å; E308-R311 PolarHBondContact O-N 2.94Å; V309-R311 VanDerWaalsContact C-N 3.31Å; V309-R311 PolarHBondContact O-N 3.36Å; R311-T313 VanDerWaalsContact C-N 3.28Å; R311-T313 PolarHBondContact O-N 3.33Å; R311-G314 PolarHBondContact O-N 3.05Å
312	L	91.2	Very high	92	Very high	129 Å²	129	62.2 Å²	62.2	68%	0.675	33%	0.331	S	S	*	.	H	α-helix	trans	-67.5	-29.2	178.6	-70	172	0	0	0	112.5	E308 V309	E308-L312 HydrophobicContact CG-CD1 4.22Å; E308-L312 WeakPolarHBondContact O-CG 3.43Å; E308-L312 PolarHBondContact O-N 3.3Å; V309-L312 PolarHBondContact O-N 3.43Å; V309-L312 VanDerWaalsContact O-N 3.12Å
313	T	89.3	Confident	91.8	Very high	90 Å²	90	62.4 Å²	62.4	55%	0.552	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-2.5	176.5	54.3	0	0	0	0	114.1	V309 L310 R311 V315	V309-T313 HydrophobicContact CG1-CG2 4.5Å; V309-T313 PolarHBondContact O-N 3.29Å; V309-T313 PolarHBondContact O-OG1 3.39Å; V309-T313 VanDerWaalsContact O-OG1 3.08Å; L310-T313 WeakPolarHBondContact CA-OG1 3.3Å; L310-T313 PolarHBondContact O-N 2.99Å; L310-T313 PolarHBondContact O-OG1 2.88Å; R311-T313 VanDerWaalsContact C-N 3.28Å; R311-T313 PolarHBondContact O-N 3.33Å; T313-V315 VanDerWaalsContact C-N 3.33Å; T313-V315 PolarHBondContact O-N 2.91Å
314	G	85.9	Confident	91.5	Very high	61 Å²	61	62.7 Å²	62.7	63%	0.629	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	24.4	-179.3	0	0	0	0	0	114.5	L310 R311	L310-G314 PolarHBondContact O-N 2.92Å; L310-G314 VanDerWaalsContact O-N 3.13Å; R311-G314 PolarHBondContact O-N 3.05Å
315	V	85	Confident	90.9	Very high	38 Å²	38	63.4 Å²	63.4	23%	0.23	34%	0.337	C	S	.	.			trans	-95.7	110.1	179.6	178.6	0	0	0	0	108.7	L310 T313 D317 V318	L310-V315 HydrophobicContact CD2-CB 3.96Å; L310-V315 HydrophobicContact CD2-CG1 3.88Å; L310-V315 PolarHBondContact O-N 2.95Å; T313-V315 VanDerWaalsContact C-N 3.33Å; T313-V315 PolarHBondContact O-N 2.91Å; V315-D317 WeakPolarHBondContact CG1-OD1 3.25Å; V315-V318 HydrophobicContact CG1-CB 4.05Å; V315-V318 HydrophobicContact CG1-CG2 3.41Å; V315-V318 VanDerWaalsContact CG1-CG2 3.41Å
316	E	82	Confident	89.9	Confident	189 Å²	189	61.2 Å²	61.2	88%	0.883	33%	0.332	S	S	*	.			trans	-103.9	-18.2	-174.3	-62.6	-169.1	163.7	0	0	114	V318	E316-V318 VanDerWaalsContact C-N 3.34Å; E316-V318 PolarHBondContact O-N 3.14Å
317	D	88.5	Confident	88.9	Confident	67 Å²	67	62 Å²	62	36%	0.358	34%	0.336	S	S	.	.	S	Bend	trans	-90.4	6.2	-173.9	63	-25	0	0	0	113.6	V315 V342 S343	V315-D317 WeakPolarHBondContact CG1-OD1 3.25Å; D317-V342 CarbonylContact O-C 3.56Å; D317-V342 WeakPolarHBondContact O-CA 3.41Å; D317-V342 WeakPolarHBondContact O-CG1 3.39Å; D317-S343 PolarHBondContact O-N 3.26Å; D317-S343 PolarHBondContact O-OG 2.91Å; D317-S343 WeakPolarHBondContact OD2-CB 3.4Å; D317-S343 PolarHBondContact OD2-OG 3.48Å
318	V	93.3	Very high	87.5	Confident	17 Å²	17	57 Å²	57	10%	0.103	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.2	177.7	178.5	0	0	0	0	111.3	H280 L310 V315 E316 R344 I346	H280-V318 WeakPolarHBondContact CE1-CG2 3.38Å; L310-V318 HydrophobicContact CD1-CB 3.91Å; L310-V318 HydrophobicContact CD1-CG1 3.61Å; L310-V318 HydrophobicContact CD2-CB 3.94Å; L310-V318 HydrophobicContact CD2-CG1 4.03Å; L310-V318 HydrophobicContact CD2-CG2 4.2Å; L310-V318 HydrophobicContact CG-CG1 4.49Å; V315-V318 HydrophobicContact CG1-CB 4.05Å; V315-V318 HydrophobicContact CG1-CG2 3.41Å; V315-V318 VanDerWaalsContact CG1-CG2 3.41Å; E316-V318 VanDerWaalsContact C-N 3.34Å; E316-V318 PolarHBondContact O-N 3.14Å; V318-R344 WeakPolarHBondContact CA-O 3.34Å; V318-R344 HydrophobicContact CG2-CB 4.38Å; V318-I346 HydrophobicContact CG1-CD1 3.77Å; V318-I346 HydrophobicContact CG1-CG1 4.08Å
319	L	94.2	Very high	86.3	Confident	39 Å²	39	55.9 Å²	55.9	20%	0.204	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.3	-179	-177.6	64.7	0	0	0	111.7	L321 V342 R344 R345 I346	L319-L321 HydrophobicContact CD1-CD2 4.12Å; L319-L321 HydrophobicContact CD2-CD1 3.99Å; L319-L321 HydrophobicContact CD2-CD2 3.97Å; L319-L321 HydrophobicContact CD2-CG 4.1Å; L319-L321 HydrophobicContact CG-CD1 4.34Å; L319-L321 HydrophobicContact CG-CD2 3.86Å; L319-L321 HydrophobicContact CG-CG 3.93Å; L319-V342 HydrophobicContact CB-CG1 3.79Å; L319-V342 HydrophobicContact CB-CG2 4.31Å; L319-R344 PolarHBondContact N-O 2.9Å; L319-R345 HydrophobicContact CB-CG 4.31Å; L319-R345 CarbonylContact O-C 3.56Å; L319-R345 VanDerWaalsContact O-CA 3.27Å; L319-R345 WeakPolarHBondContact O-CA 3.39Å; L319-I346 PolarHBondContact O-N 3.28Å
320	V	95.8	Very high	85.3	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.018	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.8	176.7	-166.5	0	0	0	0	111	V303 C306 K307 L310 I346	V303-V320 HydrophobicContact CB-CG1 4.21Å; V303-V320 HydrophobicContact CG1-CB 4.49Å; V303-V320 HydrophobicContact CG1-CG1 4Å; V303-V320 HydrophobicContact CG2-CG1 4.07Å; C306-V320 HydrophobicContact CB-CG1 3.88Å; C306-V320 HydrophobicContact CB-CG2 3.93Å; K307-V320 HydrophobicContact CG-CB 4.04Å; K307-V320 HydrophobicContact CG-CG2 4.05Å; L310-V320 HydrophobicContact CD1-CG2 3.5Å; L310-V320 VanDerWaalsContact CD1-CG2 3.5Å; V320-I346 CarbonylContact C-O 3.59Å; V320-I346 WeakPolarHBondContact CA-O 3.44Å; V320-I346 HydrophobicContact CG1-CB 4.29Å; V320-I346 HydrophobicContact CG1-CG2 4.34Å; V320-I346 HydrophobicContact CG2-CB 4.36Å; V320-I346 HydrophobicContact CG2-CD1 4.39Å
321	L	95.1	Very high	84.6	Confident	14 Å²	14	61.7 Å²	61.7	7%	0.073	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.8	-173.4	-61.2	176.1	0	0	0	111.9	L319 V335 I346 I347 V348	L319-L321 HydrophobicContact CD1-CD2 4.12Å; L319-L321 HydrophobicContact CD2-CD1 3.99Å; L319-L321 HydrophobicContact CD2-CD2 3.97Å; L319-L321 HydrophobicContact CD2-CG 4.1Å; L319-L321 HydrophobicContact CG-CD1 4.34Å; L319-L321 HydrophobicContact CG-CD2 3.86Å; L319-L321 HydrophobicContact CG-CG 3.93Å; L321-V335 HydrophobicContact CB-CG1 4.39Å; L321-V335 HydrophobicContact CD1-CG1 4.31Å; L321-I346 PolarHBondContact N-O 3.29Å; L321-I347 CarbonylContact O-C 3.56Å; L321-I347 WeakPolarHBondContact O-CA 3.5Å; L321-V348 PolarHBondContact O-N 3.2Å
322	P	94	Very high	84.2	Confident	33 Å²	33	53.3 Å²	53.3	21%	0.214	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	150.2	165.9	30.8	-32.2	0	0	0	110.7	I299 V303 Y324 L327 V348	I299-P322 HydrophobicContact CG2-CB 3.73Å; V303-P322 HydrophobicContact CG2-CB 4.09Å; P322-Y324 HydrophobicContact CB-CD1 4.2Å; P322-Y324 HydrophobicContact CB-CE1 3.67Å; P322-L327 HydrophobicContact CB-CD1 4.23Å; P322-L327 HydrophobicContact CG-CD1 4.21Å; P322-L327 HydrophobicContact CG-CD2 4.35Å; P322-L327 WeakPolarHBondContact O-CD1 3.4Å; P322-V348 CarbonylContact C-O 3.6Å; P322-V348 WeakPolarHBondContact CA-O 3.4Å
323	F	91.6	Very high	83.7	Confident	5 Å²	5	49.8 Å²	49.8	2%	0.022	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	97.1	174.2	-169.1	-138	0	0	0	113	Q332 V335 F336 I347 V348 A349 T350 I352 A353 I359	F323-Q332 HydrophobicContact CD2-CB 4.39Å; F323-Q332 HydrophobicContact CD2-CG 4.3Å; F323-Q332 HydrophobicContact CE2-CB 3.93Å; F323-Q332 HydrophobicContact CE2-CG 4.08Å; F323-V335 HydrophobicContact CB-CG1 4.09Å; F323-V335 HydrophobicContact CD1-CG2 4.39Å; F323-V335 HydrophobicContact CD2-CG1 3.97Å; F323-V335 HydrophobicContact CD2-CG2 4.11Å; F323-V335 HydrophobicContact CE1-CG2 4.28Å; F323-V335 HydrophobicContact CE2-CG2 4Å; F323-V335 HydrophobicContact CG-CG1 4Å; F323-V335 HydrophobicContact CG-CG2 4.34Å; F323-V335 HydrophobicContact CZ-CG2 4.09Å; F323-F336 HydrophobicContact CZ-CE2 4.41Å; F323-F336 HydrophobicContact CZ-CZ 4.01Å; F323-I347 HydrophobicContact CB-CG2 3.93Å; F323-V348 PolarHBondContact N-O 3.42Å; F323-A349 HydrophobicContact CB-CB 3.87Å; F323-A349 HydrophobicContact CD1-CB 3.94Å; F323-A349 HydrophobicContact CG-CB 4.38Å; F323-A349 CarbonylContact O-C 3.53Å; F323-A349 WeakPolarHBondContact O-CA 3.31Å; F323-A349 WeakPolarHBondContact O-CB 3.34Å; F323-T350 PolarHBondContact O-N 3.45Å; F323-T350 VanDerWaalsContact O-N 3.09Å; F323-I352 HydrophobicContact CD1-CG2 3.79Å; F323-I352 HydrophobicContact CD2-CG2 4.42Å; F323-I352 HydrophobicContact CE1-CG1 4.47Å; F323-I352 HydrophobicContact CE1-CG2 3.87Å; F323-I352 HydrophobicContact CE2-CD1 4.43Å; F323-I352 HydrophobicContact CE2-CG2 4.49Å; F323-I352 HydrophobicContact CG-CG2 4.05Å; F323-I352 HydrophobicContact CZ-CD1 4.49Å; F323-I352 HydrophobicContact CZ-CG1 4.17Å; F323-I352 HydrophobicContact CZ-CG2 4.22Å; F323-I352 WeakPolarHBondContact O-CG2 3.37Å; F323-A353 HydrophobicContact CD1-CB 3.84Å; F323-A353 HydrophobicContact CE1-CB 3.85Å; F323-I359 HydrophobicContact CD1-CD1 4.15Å; F323-I359 HydrophobicContact CE1-CD1 4.01Å
324	Y	88.1	Confident	83.6	Confident	17 Å²	17	48.4 Å²	48.4	7%	0.067	27%	0.271	C	S	.	.			trans	-148	160.2	179.4	49.7	-104.7	0	0	0	111.1	Q296 I299 D300 P322 T326 L327	Q296-Y324 HydrophobicContact CB-CD1 4.5Å; Q296-Y324 HydrophobicContact CB-CD2 4.3Å; Q296-Y324 HydrophobicContact CB-CE1 4.39Å; Q296-Y324 HydrophobicContact CB-CE2 4.21Å; Q296-Y324 HydrophobicContact CB-CG 4.45Å; Q296-Y324 HydrophobicContact CG-CD2 4.35Å; Q296-Y324 HydrophobicContact CG-CE1 4.03Å; Q296-Y324 HydrophobicContact CG-CE2 3.76Å; I299-Y324 HydrophobicContact CB-CD1 4.06Å; I299-Y324 HydrophobicContact CB-CE1 4.19Å; I299-Y324 HydrophobicContact CD1-CD1 3.79Å; I299-Y324 HydrophobicContact CD1-CG 4.47Å; I299-Y324 HydrophobicContact CG2-CD1 3.75Å; I299-Y324 HydrophobicContact CG2-CE1 3.77Å; D300-Y324 WeakPolarHBondContact OD1-CE1 3.24Å; D300-Y324 PolarHBondContact OD1-OH 2.91Å; D300-Y324 PolarHBondContact OD2-OH 3.28Å; P322-Y324 HydrophobicContact CB-CD1 4.2Å; P322-Y324 HydrophobicContact CB-CE1 3.67Å; Y324-T326 VanDerWaalsContact C-N 3.3Å; Y324-T326 WeakPolarHBondContact CD2-OG1 3.23Å; Y324-T326 VanDerWaalsContact CE2-OG1 3.27Å; Y324-T326 WeakPolarHBondContact CE2-OG1 3.21Å; Y324-T326 PolarHBondContact O-N 3.37Å; Y324-L327 HydrophobicContact CD1-CD1 4.49Å; Y324-L327 HydrophobicContact CD1-CG 4.43Å; Y324-L327 HydrophobicContact CD2-CD1 4.46Å; Y324-L327 HydrophobicContact CD2-CD2 4.24Å; Y324-L327 HydrophobicContact CD2-CG 3.67Å; Y324-L327 HydrophobicContact CE1-CD2 4.26Å; Y324-L327 HydrophobicContact CE1-CG 4.32Å; Y324-L327 HydrophobicContact CE2-CB 4.5Å; Y324-L327 HydrophobicContact CE2-CD1 4.49Å; Y324-L327 HydrophobicContact CE2-CD2 3.54Å; Y324-L327 HydrophobicContact CE2-CG 3.5Å; Y324-L327 HydrophobicContact CG-CD1 4.46Å; Y324-L327 HydrophobicContact CG-CG 4.14Å; Y324-L327 WeakPolarHBondContact O-CB 3.43Å; Y324-L327 WeakPolarHBondContact O-CG 3.32Å; Y324-L327 PolarHBondContact O-N 3.42Å
325	A	79.7	Confident	83.7	Confident	73 Å²	73	45.5 Å²	45.5	60%	0.603	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.9	-167.6	0	0	0	0	0	115.6	L327 Q332 I352	A325-L327 VanDerWaalsContact C-N 3.27Å; A325-L327 PolarHBondContact O-N 2.9Å; A325-Q332 PolarHBondContact O-NE2 2.98Å; A325-Q332 VanDerWaalsContact O-NE2 3.16Å; A325-I352 HydrophobicContact CB-CD1 4Å
326	T	73.7	Confident	83.8	Confident	51 Å²	51	45.5 Å²	45.5	31%	0.313	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-4.7	177.4	52.8	0	0	0	0	113.2	Q296 Y324 H586	Q296-T326 PolarHBondContact OE1-OG1 2.79Å; Y324-T326 VanDerWaalsContact C-N 3.3Å; Y324-T326 WeakPolarHBondContact CD2-OG1 3.23Å; Y324-T326 VanDerWaalsContact CE2-OG1 3.27Å; Y324-T326 WeakPolarHBondContact CE2-OG1 3.21Å; Y324-T326 PolarHBondContact O-N 3.37Å; T326-H586 PolarHBondContact O-CE1 2.95Å; T326-H586 PolarHBondContact O-NE2 3.27Å
327	L	73.9	Confident	84	Confident	17 Å²	17	42.2 Å²	42.2	9%	0.089	22%	0.221	C	C	.	.	S	Bend	trans	-65.1	152.5	168.5	-70.5	176.2	0	0	0	110.2	P322 Y324 A325 E331 Q332	P322-L327 HydrophobicContact CB-CD1 4.23Å; P322-L327 HydrophobicContact CG-CD1 4.21Å; P322-L327 HydrophobicContact CG-CD2 4.35Å; P322-L327 WeakPolarHBondContact O-CD1 3.4Å; Y324-L327 HydrophobicContact CD1-CD1 4.49Å; Y324-L327 HydrophobicContact CD1-CG 4.43Å; Y324-L327 HydrophobicContact CD2-CD1 4.46Å; Y324-L327 HydrophobicContact CD2-CD2 4.24Å; Y324-L327 HydrophobicContact CD2-CG 3.67Å; Y324-L327 HydrophobicContact CE1-CD2 4.26Å; Y324-L327 HydrophobicContact CE1-CG 4.32Å; Y324-L327 HydrophobicContact CE2-CB 4.5Å; Y324-L327 HydrophobicContact CE2-CD1 4.49Å; Y324-L327 HydrophobicContact CE2-CD2 3.54Å; Y324-L327 HydrophobicContact CE2-CG 3.5Å; Y324-L327 HydrophobicContact CG-CD1 4.46Å; Y324-L327 HydrophobicContact CG-CG 4.14Å; Y324-L327 WeakPolarHBondContact O-CB 3.43Å; Y324-L327 WeakPolarHBondContact O-CG 3.32Å; Y324-L327 PolarHBondContact O-N 3.42Å; A325-L327 VanDerWaalsContact C-N 3.27Å; A325-L327 PolarHBondContact O-N 2.9Å; L327-E331 HydrophobicContact CB-CB 4.2Å; L327-E331 HydrophobicContact CD2-CB 4.47Å; L327-Q332 HydrophobicContact CB-CG 3.63Å; L327-Q332 HydrophobicContact CD1-CG 4.49Å; L327-Q332 PolarHBondContact O-NE2 3.29Å
328	S	65.6	Low	83.6	Confident	6 Å²	6	44.8 Å²	44.8	4%	0.042	23%	0.234	C	C	.	.			trans	-65.8	153.8	173.1	61	0	0	0	0	112.8	Y330 E331 Q332 R585	S328-Y330 PolarHBondContact O-N 3.46Å; S328-E331 PolarHBondContact N-OE2 2.94Å; S328-E331 PolarHBondContact O-N 3.1Å; S328-E331 WeakPolarHBondContact OG-CB 3.47Å; S328-E331 VanDerWaalsContact OG-CD 3.3Å; S328-E331 WeakPolarHBondContact OG-CG 3.31Å; S328-E331 PolarHBondContact OG-N 2.91Å; S328-E331 PolarHBondContact OG-OE2 2.93Å; S328-Q332 WeakPolarHBondContact O-CG 3.45Å; S328-Q332 PolarHBondContact O-N 3.2Å; S328-R585 VanDerWaalsContact OG-CD 3.26Å; S328-R585 WeakPolarHBondContact OG-CD 3.46Å; S328-R585 PolarHBondContact OG-NH1 2.85Å
329	P	67.8	Low	82.9	Confident	80 Å²	80	49.5 Å²	49.5	52%	0.519	25%	0.249	S	C	.	.	H	α-helix	trans	-50.7	-45.5	175.4	-28.4	35	0	0	0	112.1	E331 Q332 M333	P329-E331 VanDerWaalsContact C-N 3.32Å; P329-E331 PolarHBondContact O-N 3.37Å; P329-Q332 PolarHBondContact O-N 3.3Å; P329-M333 WeakPolarHBondContact O-CB 3.26Å; P329-M333 WeakPolarHBondContact O-CG 3.34Å; P329-M333 PolarHBondContact O-N 3.11Å
330	Y	71.7	Confident	82.2	Confident	132 Å²	132	53.9 Å²	53.9	52%	0.518	28%	0.284	S	S	.	.	H	α-helix	trans	-59	-37.4	176.3	179.2	-93.5	0	0	0	114.2	S328	S328-Y330 PolarHBondContact O-N 3.46Å
331	E	80	Confident	81.6	Confident	51 Å²	51	57.3 Å²	57.3	24%	0.238	32%	0.32	C	S	.	.	H	α-helix	trans	-75.6	-40.9	177.8	-78.7	164.9	155.7	0	0	112.5	L327 S328 P329 M333 K334 R585	L327-E331 HydrophobicContact CB-CB 4.2Å; L327-E331 HydrophobicContact CD2-CB 4.47Å; S328-E331 PolarHBondContact N-OE2 2.94Å; S328-E331 PolarHBondContact O-N 3.1Å; S328-E331 WeakPolarHBondContact OG-CB 3.47Å; S328-E331 VanDerWaalsContact OG-CD 3.3Å; S328-E331 WeakPolarHBondContact OG-CG 3.31Å; S328-E331 PolarHBondContact OG-N 2.91Å; S328-E331 PolarHBondContact OG-OE2 2.93Å; P329-E331 VanDerWaalsContact C-N 3.32Å; P329-E331 PolarHBondContact O-N 3.37Å; E331-M333 PolarHBondContact O-N 3.42Å; E331-K334 VanDerWaalsContact O-CB 3.3Å; E331-K334 WeakPolarHBondContact O-CB 3.42Å; E331-K334 PolarHBondContact O-N 3.3Å; E331-R585 VanDerWaalsContact CD-NH1 3.32Å; E331-R585 IonicContact OE1-NH1 2.8Å; E331-R585 PolarHBondContact OE1-NH1 2.92Å; E331-R585 IonicContact OE2-NH1 3.2Å
332	Q	81.7	Confident	81.1	Confident	8 Å²	8	58.7 Å²	58.7	4%	0.037	33%	0.329	C	S	.	.	H	α-helix	trans	-56.9	-42.1	170.8	-67	-170.3	41.5	0	0	109.8	V128 F323 A325 L327 S328 P329 K334 V335	V128-Q332 VanDerWaalsContact CB-OE1 3.24Å; V128-Q332 HydrophobicContact CG2-CB 4.38Å; F323-Q332 HydrophobicContact CD2-CB 4.39Å; F323-Q332 HydrophobicContact CD2-CG 4.3Å; F323-Q332 HydrophobicContact CE2-CB 3.93Å; F323-Q332 HydrophobicContact CE2-CG 4.08Å; A325-Q332 PolarHBondContact O-NE2 2.98Å; A325-Q332 VanDerWaalsContact O-NE2 3.16Å; L327-Q332 HydrophobicContact CB-CG 3.63Å; L327-Q332 HydrophobicContact CD1-CG 4.49Å; L327-Q332 PolarHBondContact O-NE2 3.29Å; S328-Q332 WeakPolarHBondContact O-CG 3.45Å; S328-Q332 PolarHBondContact O-N 3.2Å; P329-Q332 PolarHBondContact O-N 3.3Å; Q332-K334 PolarHBondContact O-N 3.3Å; Q332-K334 VanDerWaalsContact O-N 3.07Å; Q332-V335 VanDerWaalsContact O-CG2 3.31Å; Q332-V335 WeakPolarHBondContact O-CG2 3.17Å; Q332-V335 PolarHBondContact O-N 3.18Å
333	M	81.1	Confident	80.8	Confident	55 Å²	55	58.6 Å²	58.6	27%	0.271	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.6	177.4	-69.6	-52.5	-74.9	0	0	115	P329 E331 V335 F336	P329-M333 WeakPolarHBondContact O-CB 3.26Å; P329-M333 WeakPolarHBondContact O-CG 3.34Å; P329-M333 PolarHBondContact O-N 3.11Å; E331-M333 PolarHBondContact O-N 3.42Å; M333-V335 VanDerWaalsContact C-N 3.28Å; M333-V335 PolarHBondContact O-N 2.84Å; M333-F336 HydrophobicContact CE-CD2 4.4Å; M333-F336 PolarHBondContact O-N 3.12Å; M333-F336 HydrophobicContact SD-CD2 3.81Å; M333-F336 HydrophobicContact SD-CE2 4.31Å
334	K	86.7	Confident	81	Confident	60 Å²	60	58.4 Å²	58.4	26%	0.261	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-30.4	175.9	-67.5	174.3	178.9	170.8	0	112.2	E331 Q332 F336 K337	E331-K334 VanDerWaalsContact O-CB 3.3Å; E331-K334 WeakPolarHBondContact O-CB 3.42Å; E331-K334 PolarHBondContact O-N 3.3Å; Q332-K334 PolarHBondContact O-N 3.3Å; Q332-K334 VanDerWaalsContact O-N 3.07Å; K334-F336 PolarHBondContact O-N 2.97Å; K334-K337 PolarHBondContact O-N 2.91Å
335	V	88.5	Confident	81.4	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-23.8	-179.2	-47.4	0	0	0	0	112	L321 F323 Q332 M333 R345 I347 I359	L321-V335 HydrophobicContact CB-CG1 4.39Å; L321-V335 HydrophobicContact CD1-CG1 4.31Å; F323-V335 HydrophobicContact CB-CG1 4.09Å; F323-V335 HydrophobicContact CD1-CG2 4.39Å; F323-V335 HydrophobicContact CD2-CG1 3.97Å; F323-V335 HydrophobicContact CD2-CG2 4.11Å; F323-V335 HydrophobicContact CE1-CG2 4.28Å; F323-V335 HydrophobicContact CE2-CG2 4Å; F323-V335 HydrophobicContact CG-CG1 4Å; F323-V335 HydrophobicContact CG-CG2 4.34Å; F323-V335 HydrophobicContact CZ-CG2 4.09Å; Q332-V335 VanDerWaalsContact O-CG2 3.31Å; Q332-V335 WeakPolarHBondContact O-CG2 3.17Å; Q332-V335 PolarHBondContact O-N 3.18Å; M333-V335 VanDerWaalsContact C-N 3.28Å; M333-V335 PolarHBondContact O-N 2.84Å; V335-R345 PolarHBondContact O-NH1 3.33Å; V335-I347 HydrophobicContact CB-CD1 4.28Å; V335-I347 HydrophobicContact CG1-CG2 4.12Å; V335-I359 HydrophobicContact CG2-CD1 4.24Å; V335-I359 HydrophobicContact CG2-CG1 4.27Å
336	F	87	Confident	82.2	Confident	38 Å²	38	54.3 Å²	54.3	17%	0.167	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-6.9	178.4	-56	-64.9	0	0	0	113.8	F323 M333 K334 L357 I359	F323-F336 HydrophobicContact CZ-CE2 4.41Å; F323-F336 HydrophobicContact CZ-CZ 4.01Å; M333-F336 HydrophobicContact CE-CD2 4.4Å; M333-F336 PolarHBondContact O-N 3.12Å; M333-F336 HydrophobicContact SD-CD2 3.81Å; M333-F336 HydrophobicContact SD-CE2 4.31Å; K334-F336 PolarHBondContact O-N 2.97Å; F336-L357 HydrophobicContact CD1-CB 4.46Å; F336-L357 HydrophobicContact CE1-CB 3.47Å; F336-L357 VanDerWaalsContact CE1-CB 3.47Å; F336-L357 HydrophobicContact CE1-CD1 4.04Å; F336-L357 HydrophobicContact CE1-CG 4.37Å; F336-L357 HydrophobicContact CE2-CD1 3.68Å; F336-L357 HydrophobicContact CZ-CB 3.58Å; F336-L357 HydrophobicContact CZ-CD1 3.34Å; F336-L357 HydrophobicContact CZ-CG 4.11Å; F336-I359 HydrophobicContact CD1-CG1 4.34Å; F336-I359 HydrophobicContact CE1-CG1 3.78Å
337	K	85.6	Confident	83.3	Confident	121 Å²	121	51.9 Å²	51.9	53%	0.526	28%	0.282	S	S	.	.			trans	-100.1	119.6	179.8	-65.8	-177.3	-178.3	-171.4	0	110.7	K334 R345	K334-K337 PolarHBondContact O-N 2.91Å; K337-R345 PolarHBondContact O-NH1 3.49Å; K337-R345 VanDerWaalsContact O-NH1 3.14Å
338	I	80.7	Confident	84.5	Confident	121 Å²	121	51.2 Å²	51.2	62%	0.621	28%	0.278	S	S	*	.			trans	-75.1	132.6	166.3	-57	175.4	0	0	0	107.7	P360	I338-P360 HydrophobicContact CD1-CB 4.11Å; I338-P360 HydrophobicContact CD1-CG 4.4Å; I338-P360 HydrophobicContact CG1-CB 4.28Å; I338-P360 HydrophobicContact CG1-CG 4.04Å
339	R	79.1	Confident	85.9	Confident	115 Å²	115	51 Å²	51	43%	0.434	28%	0.276	S	S	.	.			trans	-113.4	129.7	-178.9	-70.9	-176.3	173.9	-163.6	-7.7	110.1	V342	R339-V342 HydrophobicContact CB-CB 4.47Å; R339-V342 HydrophobicContact CB-CG2 3.83Å; R339-V342 PolarHBondContact O-N 3.25Å
340	S	79.6	Confident	87.1	Confident	132 Å²	132	47.8 Å²	47.8	92%	0.923	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	138.3	172.8	-48.7	0	0	0	0	110.8	V342	S340-V342 VanDerWaalsContact C-N 3.3Å; S340-V342 PolarHBondContact O-N 2.96Å
341	G	83.3	Confident	87.9	Confident	75 Å²	75	44.3 Å²	44.3	77%	0.773	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.7	-4.1	180	0	0	0	0	0	115.5
342	V	84	Confident	88.1	Confident	43 Å²	43	42.3 Å²	42.3	26%	0.261	24%	0.237	S	C	.	.			trans	-90.2	119.4	170.8	176.4	0	0	0	0	108.2	D317 L319 R339 S340 R344 R345	D317-V342 CarbonylContact O-C 3.56Å; D317-V342 WeakPolarHBondContact O-CA 3.41Å; D317-V342 WeakPolarHBondContact O-CG1 3.39Å; L319-V342 HydrophobicContact CB-CG1 3.79Å; L319-V342 HydrophobicContact CB-CG2 4.31Å; R339-V342 HydrophobicContact CB-CB 4.47Å; R339-V342 HydrophobicContact CB-CG2 3.83Å; R339-V342 PolarHBondContact O-N 3.25Å; S340-V342 VanDerWaalsContact C-N 3.3Å; S340-V342 PolarHBondContact O-N 2.96Å; V342-R344 WeakPolarHBondContact CG1-O 3.44Å; V342-R345 HydrophobicContact CG1-CG 3.85Å
343	S	88.1	Confident	88.4	Confident	31 Å²	31	42 Å²	42	22%	0.217	24%	0.236	C	C	.	.	S	Bend	trans	-77.1	-37.3	177.3	63.3	0	0	0	0	111.9	L285 D317	L285-S343 CarbonylContact C-O 3.56Å; D317-S343 PolarHBondContact O-N 3.26Å; D317-S343 PolarHBondContact O-OG 2.91Å; D317-S343 WeakPolarHBondContact OD2-CB 3.4Å; D317-S343 PolarHBondContact OD2-OG 3.48Å
344	R	94.7	Very high	88.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	143.1	179.8	-176.6	-177.3	-69.4	-103.8	14.7	112.2	K283 P284 G287 V318 L319 V342	K283-R344 PolarHBondContact O-NH2 2.96Å; P284-R344 PolarHBondContact O-NH2 3.19Å; G287-R344 VanDerWaalsContact O-CZ 3.29Å; G287-R344 PolarHBondContact O-NH1 3.36Å; V318-R344 WeakPolarHBondContact CA-O 3.34Å; V318-R344 HydrophobicContact CG2-CB 4.38Å; L319-R344 PolarHBondContact N-O 2.9Å; V342-R344 WeakPolarHBondContact CG1-O 3.44Å
345	R	96.3	Very high	87.9	Confident	5 Å²	5	37.2 Å²	37.2	2%	0.019	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.1	168.9	-55	-179.8	-65	156.1	14.7	110.6	D288 I289 L319 V335 K337 V342 I347 P360	D288-R345 WeakPolarHBondContact CA-O 2.8Å; D288-R345 HydrophobicContact CB-CB 4.18Å; D288-R345 WeakPolarHBondContact CB-O 3.46Å; D288-R345 WeakPolarHBondContact OD1-CB 3.45Å; D288-R345 PolarHBondContact OD1-N 3.32Å; D288-R345 IonicContact OD1-NE 3.28Å; D288-R345 IonicContact OD2-CZ 3.67Å; D288-R345 IonicContact OD2-NE 2.76Å; D288-R345 PolarHBondContact OD2-NE 3.26Å; D288-R345 IonicContact OD2-NH2 3.34Å; D288-R345 PolarHBondContact OD2-NH2 3.36Å; I289-R345 PolarHBondContact N-O 3.35Å; L319-R345 HydrophobicContact CB-CG 4.31Å; L319-R345 CarbonylContact O-C 3.56Å; L319-R345 VanDerWaalsContact O-CA 3.27Å; L319-R345 WeakPolarHBondContact O-CA 3.39Å; V335-R345 PolarHBondContact O-NH1 3.33Å; K337-R345 PolarHBondContact O-NH1 3.49Å; K337-R345 VanDerWaalsContact O-NH1 3.14Å; V342-R345 HydrophobicContact CG1-CG 3.85Å; R345-I347 HydrophobicContact CB-CG1 4.4Å; R345-P360 PolarHBondContact NH2-O 2.91Å
346	I	97.6	Very high	86.8	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	106.3	169.8	-59.6	170.3	0	0	0	106.7	V276 I289 V291 V318 L319 V320 L321 V348	V276-I346 HydrophobicContact CG1-CD1 3.7Å; V276-I346 HydrophobicContact CG1-CG1 4.22Å; V276-I346 HydrophobicContact CG1-CG2 3.91Å; I289-I346 HydrophobicContact CD1-CG1 4.35Å; I289-I346 CarbonylContact O-C 3.59Å; I289-I346 WeakPolarHBondContact O-CA 3.24Å; V291-I346 HydrophobicContact CG2-CG2 4.41Å; V318-I346 HydrophobicContact CG1-CD1 3.77Å; V318-I346 HydrophobicContact CG1-CG1 4.08Å; L319-I346 PolarHBondContact O-N 3.28Å; V320-I346 CarbonylContact C-O 3.59Å; V320-I346 WeakPolarHBondContact CA-O 3.44Å; V320-I346 HydrophobicContact CG1-CB 4.29Å; V320-I346 HydrophobicContact CG1-CG2 4.34Å; V320-I346 HydrophobicContact CG2-CB 4.36Å; V320-I346 HydrophobicContact CG2-CD1 4.39Å; L321-I346 PolarHBondContact N-O 3.29Å; I346-V348 HydrophobicContact CG2-CG2 4.19Å
347	I	97.1	Very high	86	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.3	-178.1	-56.9	168.2	0	0	0	107.5	I289 L290 V291 L321 F323 V335 R345 I359	I289-I347 PolarHBondContact O-N 3.17Å; L290-I347 CarbonylContact C-O 3.56Å; L290-I347 WeakPolarHBondContact CA-O 3.45Å; L290-I347 HydrophobicContact CD1-CB 3.91Å; L290-I347 HydrophobicContact CD1-CG2 3.69Å; V291-I347 PolarHBondContact N-O 2.93Å; L321-I347 CarbonylContact O-C 3.56Å; L321-I347 WeakPolarHBondContact O-CA 3.5Å; F323-I347 HydrophobicContact CB-CG2 3.93Å; V335-I347 HydrophobicContact CB-CD1 4.28Å; V335-I347 HydrophobicContact CG1-CG2 4.12Å; R345-I347 HydrophobicContact CB-CG1 4.4Å; I347-I359 HydrophobicContact CD1-CG2 3.53Å
348	V	97.7	Very high	85.5	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	113	180	-167.5	0	0	0	0	108.3	V291 L293 I299 A302 V303 L321 P322 F323 I346	V291-V348 HydrophobicContact CB-CG1 4.24Å; V291-V348 HydrophobicContact CB-CG2 4.43Å; V291-V348 HydrophobicContact CG1-CG1 4.43Å; V291-V348 HydrophobicContact CG2-CG2 4.48Å; L293-V348 HydrophobicContact CD1-CG1 3.6Å; L293-V348 HydrophobicContact CG-CG1 4.09Å; I299-V348 HydrophobicContact CB-CG1 4.35Å; I299-V348 HydrophobicContact CG1-CG1 4.01Å; I299-V348 HydrophobicContact CG2-CB 4.06Å; I299-V348 HydrophobicContact CG2-CG1 4.08Å; I299-V348 WeakPolarHBondContact CG2-O 3.45Å; A302-V348 HydrophobicContact CB-CG1 4.07Å; V303-V348 HydrophobicContact CG2-CB 4.22Å; V303-V348 HydrophobicContact CG2-CG2 4.14Å; L321-V348 PolarHBondContact O-N 3.2Å; P322-V348 CarbonylContact C-O 3.6Å; P322-V348 WeakPolarHBondContact CA-O 3.4Å; F323-V348 PolarHBondContact N-O 3.42Å; I346-V348 HydrophobicContact CG2-CG2 4.19Å
349	A	95.4	Very high	85.8	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	155.6	-165.1	0	0	0	0	0	114	L290 V291 F292 L293 F323 A353	L290-A349 HydrophobicContact CD1-CB 3.83Å; V291-A349 PolarHBondContact O-N 3.45Å; F292-A349 WeakPolarHBondContact CA-O 3.48Å; L293-A349 PolarHBondContact N-O 3.02Å; F323-A349 HydrophobicContact CB-CB 3.87Å; F323-A349 HydrophobicContact CD1-CB 3.94Å; F323-A349 HydrophobicContact CG-CB 4.38Å; F323-A349 CarbonylContact O-C 3.53Å; F323-A349 WeakPolarHBondContact O-CA 3.31Å; F323-A349 WeakPolarHBondContact O-CB 3.34Å; A349-A353 HydrophobicContact CB-CB 3.7Å
350	T	92.8	Very high	86.1	Confident	14 Å²	14	24.8 Å²	24.8	9%	0.086	17%	0.169	C	C	.	.			trans	-84.2	-170	159.4	66.4	0	0	0	0	110.3	L293 I299 F323 I352 A353	L293-T350 WeakPolarHBondContact O-CA 3.5Å; I299-T350 HydrophobicContact CD1-CG2 3.43Å; I299-T350 VanDerWaalsContact CD1-CG2 3.43Å; F323-T350 PolarHBondContact O-N 3.45Å; F323-T350 VanDerWaalsContact O-N 3.09Å; T350-I352 PolarHBondContact O-N 3.32Å; T350-I352 PolarHBondContact OG1-N 2.89Å; T350-A353 PolarHBondContact O-N 3.46Å
351	N	89.1	Confident	86.7	Confident	58 Å²	58	20.2 Å²	20.2	31%	0.31	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-53.4	-9.5	168.7	68.8	-33.4	0	0	0	115.1	R126 A353 E354 V371	R126-N351 PolarHBondContact NH1-O 2.71Å; R126-N351 PolarHBondContact NH2-O 3.06Å; N351-A353 PolarHBondContact O-N 2.9Å; N351-A353 VanDerWaalsContact O-N 3.13Å; N351-E354 WeakPolarHBondContact CA-OE1 3.41Å; N351-E354 VanDerWaalsContact CB-CD 3.45Å; N351-E354 HydrophobicContact CB-CG 4.15Å; N351-E354 WeakPolarHBondContact CB-OE1 3.21Å; N351-E354 VanDerWaalsContact O-CB 3.24Å; N351-E354 WeakPolarHBondContact O-CB 3.26Å; N351-E354 WeakPolarHBondContact O-CG 3.41Å; N351-E354 PolarHBondContact O-N 3Å; N351-V371 HydrophobicContact CB-CG2 4.47Å
352	I	85.1	Confident	87.2	Confident	10 Å²	10	17.1 Å²	17.1	5%	0.051	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-56.9	-26.7	173	-168.3	162	0	0	0	113	R126 V128 F323 A325 T350 E354	R126-I352 PolarHBondContact NH1-O 2.83Å; R126-I352 VanDerWaalsContact NH1-O 3.13Å; V128-I352 HydrophobicContact CG1-CD1 4.07Å; V128-I352 HydrophobicContact CG1-CG1 4.48Å; F323-I352 HydrophobicContact CD1-CG2 3.79Å; F323-I352 HydrophobicContact CD2-CG2 4.42Å; F323-I352 HydrophobicContact CE1-CG1 4.47Å; F323-I352 HydrophobicContact CE1-CG2 3.87Å; F323-I352 HydrophobicContact CE2-CD1 4.43Å; F323-I352 HydrophobicContact CE2-CG2 4.49Å; F323-I352 HydrophobicContact CG-CG2 4.05Å; F323-I352 HydrophobicContact CZ-CD1 4.49Å; F323-I352 HydrophobicContact CZ-CG1 4.17Å; F323-I352 HydrophobicContact CZ-CG2 4.22Å; F323-I352 WeakPolarHBondContact O-CG2 3.37Å; A325-I352 HydrophobicContact CB-CD1 4Å; T350-I352 PolarHBondContact O-N 3.32Å; T350-I352 PolarHBondContact OG1-N 2.89Å; I352-E354 VanDerWaalsContact C-N 3.34Å
353	A	88.2	Confident	87.7	Confident	2 Å²	2	18 Å²	18	2%	0.017	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-86.1	-1.4	177.8	0	0	0	0	0	113.7	L290 F292 F323 A349 T350 N351 I359 R401	L290-A353 HydrophobicContact CD1-CB 4.14Å; L290-A353 HydrophobicContact CD2-CB 4.14Å; F292-A353 HydrophobicContact CE1-CB 3.69Å; F292-A353 HydrophobicContact CZ-CB 3.94Å; F323-A353 HydrophobicContact CD1-CB 3.84Å; F323-A353 HydrophobicContact CE1-CB 3.85Å; A349-A353 HydrophobicContact CB-CB 3.7Å; T350-A353 PolarHBondContact O-N 3.46Å; N351-A353 PolarHBondContact O-N 2.9Å; N351-A353 VanDerWaalsContact O-N 3.13Å; A353-I359 HydrophobicContact CB-CD1 4.32Å; A353-R401 PolarHBondContact O-NE 3.19Å; A353-R401 PolarHBondContact O-NH1 3.02Å; A353-R401 VanDerWaalsContact O-NH1 3.16Å
354	E	84	Confident	88.2	Confident	8 Å²	8	16.6 Å²	16.6	4%	0.037	9%	0.089	C	C	.	.	S	Bend	trans	-74.9	-30.1	-178	-71.2	174.1	-162.9	0	0	113.6	F292 N351 I352 Q397 R398 R401	F292-E354 HydrophobicContact CD1-CG 4.45Å; F292-E354 HydrophobicContact CE1-CG 3.86Å; N351-E354 WeakPolarHBondContact CA-OE1 3.41Å; N351-E354 VanDerWaalsContact CB-CD 3.45Å; N351-E354 HydrophobicContact CB-CG 4.15Å; N351-E354 WeakPolarHBondContact CB-OE1 3.21Å; N351-E354 VanDerWaalsContact O-CB 3.24Å; N351-E354 WeakPolarHBondContact O-CB 3.26Å; N351-E354 WeakPolarHBondContact O-CG 3.41Å; N351-E354 PolarHBondContact O-N 3Å; I352-E354 VanDerWaalsContact C-N 3.34Å; E354-Q397 PolarHBondContact O-OE1 3.16Å; E354-R398 HydrophobicContact CG-CG 3.78Å; E354-R398 IonicContact OE1-CZ 2.94Å; E354-R398 IonicContact OE1-NE 3.42Å; E354-R398 PolarHBondContact OE1-NE 2.74Å; E354-R398 IonicContact OE1-NH2 3.52Å; E354-R398 PolarHBondContact OE1-NH2 3.07Å; E354-R401 VanDerWaalsContact C-NE 3.3Å; E354-R401 PolarHBondContact O-NE 3.39Å; E354-R401 PolarHBondContact O-NH2 3.26Å
355	T	72.7	Confident	88.3	Confident	5 Å²	5	16.6 Å²	16.6	3%	0.031	9%	0.089	C	C	.	.	S	Bend	trans	-132.7	171.4	-170.2	59	0	0	0	0	113.5	R126 E193 H195 E196 L357 R401	R126-T355 PolarHBondContact NH1-OG1 3.29Å; R126-T355 PolarHBondContact NH2-OG1 2.9Å; E193-T355 WeakPolarHBondContact OE2-CB 3.4Å; H195-T355 WeakPolarHBondContact NE2-CG2 3.28Å; E196-T355 HydrophobicContact CG-CG2 4.23Å; E196-T355 PolarHBondContact OE1-OG1 3.39Å; T355-L357 PolarHBondContact O-N 3.42Å; T355-R401 PolarHBondContact O-NH2 2.88Å; T355-R401 VanDerWaalsContact O-NH2 3.17Å
356	S	66.1	Low	88.4	Confident	17 Å²	17	16.3 Å²	16.3	12%	0.119	9%	0.088	C	C	.	.	S	Bend	trans	65.5	-71.8	174.6	-35	0	0	0	0	118.5	E193	E193-S356 WeakPolarHBondContact OE1-CA 3.38Å; E193-S356 PolarHBondContact OE1-N 2.69Å; E193-S356 PolarHBondContact OE1-OG 3.23Å
357	L	69	Low	88.4	Confident	34 Å²	34	16.3 Å²	16.3	18%	0.178	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-102.8	134.4	-165.9	-61.9	166.3	0	0	0	112.4	S132 L133 F336 T355 I359 R401	S132-L357 VanDerWaalsContact OG-CD1 3.27Å; S132-L357 WeakPolarHBondContact OG-CD1 3.28Å; L133-L357 HydrophobicContact CD2-CD2 4.22Å; F336-L357 HydrophobicContact CD1-CB 4.46Å; F336-L357 HydrophobicContact CE1-CB 3.47Å; F336-L357 VanDerWaalsContact CE1-CB 3.47Å; F336-L357 HydrophobicContact CE1-CD1 4.04Å; F336-L357 HydrophobicContact CE1-CG 4.37Å; F336-L357 HydrophobicContact CE2-CD1 3.68Å; F336-L357 HydrophobicContact CZ-CB 3.58Å; F336-L357 HydrophobicContact CZ-CD1 3.34Å; F336-L357 HydrophobicContact CZ-CG 4.11Å; T355-L357 PolarHBondContact O-N 3.42Å; L357-I359 PolarHBondContact O-N 3.44Å; L357-R401 PolarHBondContact O-NH1 3.35Å
358	T	75.7	Confident	88.4	Confident	51 Å²	51	16.4 Å²	16.4	31%	0.313	9%	0.088	S	C	.	.	P	Polyproline II helix	trans	-75.4	118.8	168.4	-58.1	0	0	0	0	109.1	R404	T358-R404 VanDerWaalsContact CA-NH1 3.29Å; T358-R404 HydrophobicContact CG2-CB 4.49Å; T358-R404 PolarHBondContact OG1-NH1 3.46Å
359	I	86.1	Confident	88.3	Confident	11 Å²	11	16.3 Å²	16.3	6%	0.056	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-81.6	119.2	167.4	-57.4	178	0	0	0	106.2	L290 F323 V335 F336 I347 A353 L357 V362	L290-I359 HydrophobicContact CD1-CD1 4.31Å; L290-I359 HydrophobicContact CD2-CD1 4.36Å; F323-I359 HydrophobicContact CD1-CD1 4.15Å; F323-I359 HydrophobicContact CE1-CD1 4.01Å; V335-I359 HydrophobicContact CG2-CD1 4.24Å; V335-I359 HydrophobicContact CG2-CG1 4.27Å; F336-I359 HydrophobicContact CD1-CG1 4.34Å; F336-I359 HydrophobicContact CE1-CG1 3.78Å; I347-I359 HydrophobicContact CD1-CG2 3.53Å; A353-I359 HydrophobicContact CB-CD1 4.32Å; L357-I359 PolarHBondContact O-N 3.44Å; I359-V362 HydrophobicContact CB-CG2 3.72Å; I359-V362 HydrophobicContact CG2-CG2 3.5Å
360	P	86.6	Confident	88.3	Confident	21 Å²	21	18.5 Å²	18.5	14%	0.136	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	154.8	-175.7	28	-34.8	0	0	0	110.8	I338 R345 V362	I338-P360 HydrophobicContact CD1-CB 4.11Å; I338-P360 HydrophobicContact CD1-CG 4.4Å; I338-P360 HydrophobicContact CG1-CB 4.28Å; I338-P360 HydrophobicContact CG1-CG 4.04Å; R345-P360 PolarHBondContact NH2-O 2.91Å; P360-V362 PolarHBondContact O-N 3.03Å; P360-V362 VanDerWaalsContact O-N 3.1Å
361	N	91.2	Very high	88.3	Confident	37 Å²	37	18.3 Å²	18.3	20%	0.198	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	11.8	173.7	-160.2	52.3	0	0	0	116.3	D286 D288 R363 E405	D286-N361 PolarHBondContact O-OD1 3.21Å; D286-N361 VanDerWaalsContact O-OD1 3.12Å; D288-N361 WeakPolarHBondContact CB-O 3.49Å; D288-N361 PolarHBondContact N-O 3.21Å; D288-N361 PolarHBondContact OD1-ND2 3.25Å; D288-N361 WeakPolarHBondContact OD2-CB 3.48Å; D288-N361 PolarHBondContact OD2-ND2 3.28Å; N361-R363 PolarHBondContact O-N 3.17Å; N361-E405 PolarHBondContact N-OE2 2.89Å
362	V	93.4	Very high	88.3	Confident	10 Å²	10	18.7 Å²	18.7	6%	0.061	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	117.4	174.9	175.1	0	0	0	0	109.9	L290 I359 P360 I365	L290-V362 HydrophobicContact CB-CG1 3.77Å; L290-V362 HydrophobicContact CB-CG2 4.43Å; L290-V362 HydrophobicContact CD2-CG1 4.34Å; I359-V362 HydrophobicContact CB-CG2 3.72Å; I359-V362 HydrophobicContact CG2-CG2 3.5Å; P360-V362 PolarHBondContact O-N 3.03Å; P360-V362 VanDerWaalsContact O-N 3.1Å; V362-I365 HydrophobicContact CG1-CD1 3.55Å
363	R	95	Very high	88.4	Confident	60 Å²	60	19.9 Å²	19.9	23%	0.226	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	-31.6	-178.3	-170.6	173.8	-175.2	179.5	3.6	113.1	D286 D288 N361 M406 P407 G408 E409	D286-R363 IonicContact OD1-NH1 2.83Å; D286-R363 PolarHBondContact OD1-NH1 3.07Å; D286-R363 IonicContact OD2-NH1 3.7Å; D288-R363 PolarHBondContact O-N 3.39Å; N361-R363 PolarHBondContact O-N 3.17Å; R363-M406 HydrophobicContact CB-SD 4.39Å; R363-M406 HydrophobicContact CG-CG 4.39Å; R363-M406 HydrophobicContact CG-SD 4.28Å; R363-P407 PolarHBondContact NE-O 2.85Å; R363-G408 CarbonylContact O-C 3.49Å; R363-G408 WeakPolarHBondContact O-CA 3.48Å; R363-E409 PolarHBondContact O-N 2.97Å
364	Y	98	Very high	88.2	Confident	2 Å²	2	24.8 Å²	24.8	1%	0.008	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.2	-175.4	-51	-75	0	0	0	110.6	I279 K283 D288 I289 L290 E409	I279-Y364 HydrophobicContact CG2-CD1 4Å; I279-Y364 HydrophobicContact CG2-CD2 3.86Å; I279-Y364 HydrophobicContact CG2-CE2 4.39Å; I279-Y364 HydrophobicContact CG2-CG 3.65Å; K283-Y364 HydrophobicContact CB-CE1 3.91Å; K283-Y364 HydrophobicContact CB-CE2 4.24Å; K283-Y364 HydrophobicContact CD-CE1 4.21Å; K283-Y364 HydrophobicContact CG-CE1 3.91Å; D288-Y364 PolarHBondContact O-N 3.34Å; I289-Y364 CarbonylContact C-O 3.29Å; I289-Y364 VanDerWaalsContact CA-O 3.31Å; I289-Y364 WeakPolarHBondContact CA-O 3.49Å; I289-Y364 HydrophobicContact CG1-CD2 4.27Å; L290-Y364 PolarHBondContact N-O 3.45Å; Y364-E409 CarbonylContact C-O 3.55Å; Y364-E409 WeakPolarHBondContact CA-O 3.3Å; Y364-E409 HydrophobicContact CD1-CB 4.13Å; Y364-E409 HydrophobicContact CD1-CG 4.49Å; Y364-E409 HydrophobicContact CE1-CG 4.47Å
365	I	97.9	Very high	88.3	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	138	173.9	-52.9	-56.5	0	0	0	109.4	L290 F292 V362 D367 R401 A402 E409 C410 Y411	L290-I365 HydrophobicContact CB-CD1 3.8Å; L290-I365 HydrophobicContact CD2-CD1 4.02Å; L290-I365 HydrophobicContact CG-CD1 4.28Å; L290-I365 CarbonylContact O-C 3.49Å; L290-I365 WeakPolarHBondContact O-CA 3.41Å; F292-I365 HydrophobicContact CD2-CG2 3.94Å; F292-I365 HydrophobicContact CE2-CG2 3.92Å; V362-I365 HydrophobicContact CG1-CD1 3.55Å; I365-D367 HydrophobicContact CG2-CB 4.45Å; I365-R401 HydrophobicContact CD1-CB 3.79Å; I365-A402 HydrophobicContact CD1-CB 4.28Å; I365-A402 HydrophobicContact CG1-CB 3.69Å; I365-E409 PolarHBondContact N-O 3.37Å; I365-C410 HydrophobicContact CB-CB 4.06Å; I365-Y411 PolarHBondContact O-N 3.38Å
366	V	98.4	Very high	88.8	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	113.1	166.7	-178.5	0	0	0	0	107.7	C272 T275 V276 I279 I289 L290 V291 F292 Y411 V413	C272-V366 HydrophobicContact CB-CG1 4.07Å; T275-V366 HydrophobicContact CG2-CG1 4.12Å; T275-V366 HydrophobicContact CG2-CG2 3.86Å; V276-V366 HydrophobicContact CG2-CG2 4.21Å; I279-V366 HydrophobicContact CD1-CG2 3.58Å; I289-V366 HydrophobicContact CG2-CG2 3.98Å; L290-V366 PolarHBondContact O-N 3.03Å; V291-V366 CarbonylContact C-O 3.54Å; V291-V366 VanDerWaalsContact CA-O 3.3Å; V291-V366 WeakPolarHBondContact CA-O 3.5Å; V291-V366 HydrophobicContact CB-CB 4.44Å; V291-V366 HydrophobicContact CG1-CB 4.14Å; V291-V366 HydrophobicContact CG1-CG1 4.24Å; V291-V366 HydrophobicContact CG2-CB 4.21Å; F292-V366 PolarHBondContact N-O 2.79Å; V366-Y411 WeakPolarHBondContact CA-O 3.46Å; V366-V413 HydrophobicContact CG1-CG1 4.1Å
367	D	97.7	Very high	89.5	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.3	-173.5	-171.3	0.3	0	0	0	111.9	I365 G369 R398 Y411 V413 F414	I365-D367 HydrophobicContact CG2-CB 4.45Å; D367-G369 PolarHBondContact O-N 3.26Å; D367-G369 PolarHBondContact OD1-N 2.81Å; D367-R398 VanDerWaalsContact CG-CD 3.45Å; D367-R398 WeakPolarHBondContact OD1-CD 3.27Å; D367-R398 IonicContact OD1-CZ 3.16Å; D367-R398 IonicContact OD1-NE 3.43Å; D367-R398 IonicContact OD1-NH1 2.96Å; D367-R398 PolarHBondContact OD1-NH1 3.2Å; D367-R398 WeakPolarHBondContact OD2-CD 3.48Å; D367-R398 IonicContact OD2-NH1 2.77Å; D367-Y411 PolarHBondContact N-O 3.42Å; D367-V413 WeakPolarHBondContact O-CG2 3.45Å; D367-V413 PolarHBondContact O-N 2.82Å; D367-F414 HydrophobicContact CB-CE1 4.43Å; D367-F414 WeakPolarHBondContact O-CE1 3.37Å
368	S	96.5	Very high	89.9	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.007	14%	0.138	C	C	.	.			trans	-66.6	-20.2	174.3	59.9	0	0	0	0	114.4	F292 K370	F292-S368 WeakPolarHBondContact O-CB 3.39Å; F292-S368 PolarHBondContact O-N 3.3Å; F292-S368 PolarHBondContact O-OG 3.43Å; S368-K370 PolarHBondContact O-N 3.06Å; S368-K370 PolarHBondContact OG-N 3.41Å
369	G	95.4	Very high	89.7	Confident	1 Å²	1	31 Å²	31	1%	0.01	16%	0.158	C	C	.	.	S	Bend	trans	68.4	10.2	-172	0	0	0	0	0	113.4	D367 A390	D367-G369 PolarHBondContact O-N 3.26Å; D367-G369 PolarHBondContact OD1-N 2.81Å; G369-A390 PolarHBondContact O-N 2.65Å
370	K	94.8	Very high	89.1	Confident	46 Å²	46	34.1 Å²	34.1	20%	0.2	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	155	-179.9	-57.4	-58.9	176.7	-178.2	0	111.1	Y268 T294 S368 V387 V388 N389 R398	Y268-K370 HydrophobicContact CD1-CG 4.11Å; Y268-K370 HydrophobicContact CD2-CG 4.41Å; Y268-K370 HydrophobicContact CE1-CG 4.04Å; Y268-K370 HydrophobicContact CE2-CG 4.33Å; Y268-K370 HydrophobicContact CG-CG 4.29Å; T294-K370 HydrophobicContact CG2-CB 3.52Å; S368-K370 PolarHBondContact O-N 3.06Å; S368-K370 PolarHBondContact OG-N 3.41Å; K370-V387 HydrophobicContact CB-CG1 3.91Å; K370-V387 HydrophobicContact CD-CG1 4.38Å; K370-V387 HydrophobicContact CG-CG1 4.27Å; K370-V388 WeakPolarHBondContact CA-O 3.36Å; K370-N389 PolarHBondContact NZ-OD1 2.93Å; K370-R398 PolarHBondContact O-NH1 3.18Å; K370-R398 PolarHBondContact O-NH2 3.03Å; K370-R398 VanDerWaalsContact O-NH2 3.15Å
371	V	92.9	Very high	88.4	Confident	10 Å²	10	33.8 Å²	33.8	6%	0.061	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	146.1	172.2	65.5	0	0	0	0	109.3	N351 V387 V388 A390	N351-V371 HydrophobicContact CB-CG2 4.47Å; V371-V387 WeakPolarHBondContact O-CA 3.46Å; V371-V388 HydrophobicContact CG1-CG2 3.73Å; V371-V388 PolarHBondContact N-O 2.79Å; V371-V388 PolarHBondContact O-N 3.45Å; V371-A390 HydrophobicContact CG1-CB 4.44Å
372	K	89.3	Confident	87.6	Confident	66 Å²	66	32.5 Å²	32.5	29%	0.287	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	120.9	171.8	-156.7	171.8	-161.7	171.3	0	108.7	T294 R386 V387	T294-K372 WeakPolarHBondContact O-CB 3.36Å; K372-R386 CarbonylContact C-O 3.48Å; K372-R386 WeakPolarHBondContact CA-O 3.22Å; K372-V387 HydrophobicContact CG-CG2 4.41Å
373	M	86.9	Confident	87	Confident	35 Å²	35	34 Å²	34	17%	0.172	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	141	-174.6	-167.5	162.6	75.4	0	0	110.7	L375 R386 V388	M373-L375 HydrophobicContact CE-CD2 3.71Å; M373-L375 HydrophobicContact CE-CG 4.39Å; M373-R386 PolarHBondContact N-O 2.82Å; M373-R386 PolarHBondContact O-N 3.16Å; M373-V388 HydrophobicContact CB-CG2 3.81Å; M373-V388 HydrophobicContact CE-CG2 4.02Å; M373-V388 HydrophobicContact SD-CG2 4.35Å
374	R	85.1	Confident	86.3	Confident	106 Å²	106	32.8 Å²	32.8	40%	0.4	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126.2	170.2	-171.1	174.9	179.7	166.7	0.1	108.6	D383 L385 R432	R374-D383 IonicContact CZ-OD1 2.84Å; R374-D383 IonicContact CZ-OD2 3.03Å; R374-D383 VanDerWaalsContact NE-CG 3.29Å; R374-D383 IonicContact NE-OD1 3.27Å; R374-D383 PolarHBondContact NE-OD1 2.66Å; R374-D383 IonicContact NE-OD2 2.77Å; R374-D383 IonicContact NH2-OD1 2.71Å; R374-D383 PolarHBondContact NH2-OD1 3.17Å; R374-D383 IonicContact NH2-OD2 3.72Å; R374-D383 PolarHBondContact NH2-OD2 3.45Å; R374-L385 HydrophobicContact CB-CD2 3.94Å; R374-L385 HydrophobicContact CG-CD2 4.46Å; R374-R432 PolarHBondContact O-NH1 3.48Å; R374-R432 VanDerWaalsContact O-NH1 3.12Å
375	L	84.9	Confident	85.6	Confident	38 Å²	38	35.2 Å²	35.2	20%	0.199	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.3	176.9	-68.4	167.6	0	0	0	107.8	M373 M384 R386 R432	M373-L375 HydrophobicContact CE-CD2 3.71Å; M373-L375 HydrophobicContact CE-CG 4.39Å; L375-M384 HydrophobicContact CB-CG 4.01Å; L375-M384 PolarHBondContact N-O 3.27Å; L375-M384 WeakPolarHBondContact O-CG 3.26Å; L375-M384 PolarHBondContact O-N 3.45Å; L375-R386 HydrophobicContact CD1-CB 4.13Å; L375-R386 HydrophobicContact CD1-CG 4.31Å; L375-R432 CarbonylContact C-O 3.55Å; L375-R432 HydrophobicContact CD2-CB 4.25Å
376	Y	84.2	Confident	85	Confident	22 Å²	22	40.4 Å²	40.4	9%	0.086	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130.4	175.6	-179.9	-110.5	0	0	0	108.3	P378 V382 R432 I470	Y376-P378 HydrophobicContact CD1-CB 4.46Å; Y376-P378 HydrophobicContact CD1-CG 3.99Å; Y376-P378 HydrophobicContact CE1-CB 4.04Å; Y376-P378 HydrophobicContact CE1-CG 4.06Å; Y376-P378 WeakPolarHBondContact O-CD 3.44Å; Y376-V382 WeakPolarHBondContact CA-O 3.46Å; Y376-V382 WeakPolarHBondContact CD2-O 3.47Å; Y376-R432 VanDerWaalsContact CB-O 3.27Å; Y376-R432 WeakPolarHBondContact CB-O 3.43Å; Y376-R432 PolarHBondContact N-O 3.41Å; Y376-I470 WeakPolarHBondContact OH-CD1 3.37Å
377	D	81.1	Confident	84.6	Confident	43 Å²	43	43.3 Å²	43.3	23%	0.23	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	103.1	172	-176.3	-21.8	0	0	0	107.8	S379 K380 G381 V382	D377-S379 PolarHBondContact O-N 3.03Å; D377-S379 WeakPolarHBondContact OD1-CB 3.35Å; D377-S379 PolarHBondContact OD1-N 2.8Å; D377-S379 VanDerWaalsContact OD1-N 3.11Å; D377-S379 PolarHBondContact OD1-OG 3.04Å; D377-K380 HydrophobicContact CB-CB 4.16Å; D377-K380 CarbonylContact O-C 3.57Å; D377-K380 PolarHBondContact O-N 2.84Å; D377-K380 VanDerWaalsContact O-N 3.14Å; D377-K380 PolarHBondContact OD1-N 3.29Å; D377-K380 VanDerWaalsContact OD2-CD 3.23Å; D377-K380 WeakPolarHBondContact OD2-CD 3.34Å; D377-K380 VanDerWaalsContact OD2-CE 3.32Å; D377-K380 WeakPolarHBondContact OD2-CE 3.47Å; D377-K380 IonicContact OD2-NZ 2.74Å; D377-K380 PolarHBondContact OD2-NZ 2.9Å; D377-G381 PolarHBondContact O-N 2.71Å; D377-V382 HydrophobicContact CB-CG2 4.29Å; D377-V382 PolarHBondContact N-O 3.07Å
378	P	76.1	Confident	84.2	Confident	39 Å²	39	45.1 Å²	45.1	25%	0.253	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-33.6	-177.5	-22.4	32.9	0	0	0	112.9	Y376 K380 G381 E462 A466	Y376-P378 HydrophobicContact CD1-CB 4.46Å; Y376-P378 HydrophobicContact CD1-CG 3.99Å; Y376-P378 HydrophobicContact CE1-CB 4.04Å; Y376-P378 HydrophobicContact CE1-CG 4.06Å; Y376-P378 WeakPolarHBondContact O-CD 3.44Å; P378-K380 PolarHBondContact O-N 2.94Å; P378-G381 PolarHBondContact O-N 3.05Å; P378-E462 HydrophobicContact CB-CB 4.22Å; P378-A466 HydrophobicContact CB-CB 4.06Å
379	S	72.3	Confident	84.1	Confident	103 Å²	103	48.8 Å²	48.8	72%	0.72	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-28.7	-179.3	74.6	0	0	0	0	112.4	D377	D377-S379 PolarHBondContact O-N 3.03Å; D377-S379 WeakPolarHBondContact OD1-CB 3.35Å; D377-S379 PolarHBondContact OD1-N 2.8Å; D377-S379 VanDerWaalsContact OD1-N 3.11Å; D377-S379 PolarHBondContact OD1-OG 3.04Å
380	K	72.6	Confident	84	Confident	77 Å²	77	48.8 Å²	48.8	34%	0.335	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-12.2	-179	-69.6	-178.6	-160.6	139.8	0	113.2	D377 P378 V382 S645 L647	D377-K380 HydrophobicContact CB-CB 4.16Å; D377-K380 CarbonylContact O-C 3.57Å; D377-K380 PolarHBondContact O-N 2.84Å; D377-K380 VanDerWaalsContact O-N 3.14Å; D377-K380 PolarHBondContact OD1-N 3.29Å; D377-K380 VanDerWaalsContact OD2-CD 3.23Å; D377-K380 WeakPolarHBondContact OD2-CD 3.34Å; D377-K380 VanDerWaalsContact OD2-CE 3.32Å; D377-K380 WeakPolarHBondContact OD2-CE 3.47Å; D377-K380 IonicContact OD2-NZ 2.74Å; D377-K380 PolarHBondContact OD2-NZ 2.9Å; P378-K380 PolarHBondContact O-N 2.94Å; K380-V382 HydrophobicContact CB-CG2 3.7Å; K380-V382 PolarHBondContact O-N 2.77Å; K380-S645 VanDerWaalsContact O-CB 3.3Å; K380-S645 WeakPolarHBondContact O-CB 3.48Å; K380-L647 HydrophobicContact CD-CD1 4.07Å; K380-L647 HydrophobicContact CD-CD2 3.97Å; K380-L647 HydrophobicContact CD-CG 4Å
381	G	72.9	Confident	83.9	Confident	14 Å²	14	46.9 Å²	46.9	14%	0.144	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	29.1	-178.3	0	0	0	0	0	113.7	D377 P378	D377-G381 PolarHBondContact O-N 2.71Å; P378-G381 PolarHBondContact O-N 3.05Å
382	V	74.2	Confident	84	Confident	10 Å²	10	48 Å²	48	6%	0.061	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.8	-175.6	-68	0	0	0	0	112.2	Y376 D377 K380 L647 L670	Y376-V382 WeakPolarHBondContact CA-O 3.46Å; Y376-V382 WeakPolarHBondContact CD2-O 3.47Å; D377-V382 HydrophobicContact CB-CG2 4.29Å; D377-V382 PolarHBondContact N-O 3.07Å; K380-V382 HydrophobicContact CB-CG2 3.7Å; K380-V382 PolarHBondContact O-N 2.77Å; V382-L647 HydrophobicContact CG1-CD1 4.44Å; V382-L647 HydrophobicContact CG2-CD1 3.72Å; V382-L670 HydrophobicContact CB-CD1 3.94Å; V382-L670 HydrophobicContact CG1-CD1 3.79Å
383	D	80	Confident	83.9	Confident	42 Å²	42	45.6 Å²	45.6	23%	0.225	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	134.9	165.7	-69.6	-76.6	0	0	0	110.2	R374	R374-D383 IonicContact CZ-OD1 2.84Å; R374-D383 IonicContact CZ-OD2 3.03Å; R374-D383 VanDerWaalsContact NE-CG 3.29Å; R374-D383 IonicContact NE-OD1 3.27Å; R374-D383 PolarHBondContact NE-OD1 2.66Å; R374-D383 IonicContact NE-OD2 2.77Å; R374-D383 IonicContact NH2-OD1 2.71Å; R374-D383 PolarHBondContact NH2-OD1 3.17Å; R374-D383 IonicContact NH2-OD2 3.72Å; R374-D383 PolarHBondContact NH2-OD2 3.45Å
384	M	80.7	Confident	84.1	Confident	34 Å²	34	45.5 Å²	45.5	17%	0.167	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.7	173.1	66.5	-174.7	-41.8	0	0	111.2	L375 R386 F672	L375-M384 HydrophobicContact CB-CG 4.01Å; L375-M384 PolarHBondContact N-O 3.27Å; L375-M384 WeakPolarHBondContact O-CG 3.26Å; L375-M384 PolarHBondContact O-N 3.45Å; M384-R386 VanDerWaalsContact CE-CD 3.48Å; M384-R386 HydrophobicContact CE-CG 3.8Å; M384-R386 HydrophobicContact CG-CG 4.17Å; M384-R386 HydrophobicContact SD-CG 4.28Å; M384-F672 HydrophobicContact CE-CB 4.09Å; M384-F672 HydrophobicContact CE-CG 4.42Å
385	L	82.8	Confident	84.5	Confident	53 Å²	53	40.6 Å²	40.6	28%	0.277	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	121.4	169.8	-72.6	167.4	0	0	0	109.3	R374 F672	R374-L385 HydrophobicContact CB-CD2 3.94Å; R374-L385 HydrophobicContact CG-CD2 4.46Å; L385-F672 PolarHBondContact O-N 3.23Å
386	R	86	Confident	84.8	Confident	109 Å²	109	41.8 Å²	41.8	41%	0.411	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148	178.9	-67.4	178.5	70.5	178.4	-0.8	111.2	K372 M373 L375 M384 F672	K372-R386 CarbonylContact C-O 3.48Å; K372-R386 WeakPolarHBondContact CA-O 3.22Å; M373-R386 PolarHBondContact N-O 2.82Å; M373-R386 PolarHBondContact O-N 3.16Å; L375-R386 HydrophobicContact CD1-CB 4.13Å; L375-R386 HydrophobicContact CD1-CG 4.31Å; M384-R386 VanDerWaalsContact CE-CD 3.48Å; M384-R386 HydrophobicContact CE-CG 3.8Å; M384-R386 HydrophobicContact CG-CG 4.17Å; M384-R386 HydrophobicContact SD-CG 4.28Å; R386-F672 HydrophobicContact CG-CB 4.13Å; R386-F672 HydrophobicContact CG-CD1 4.32Å; R386-F672 HydrophobicContact CG-CG 4.47Å
387	V	89	Confident	85	Confident	61 Å²	61	41.7 Å²	41.7	37%	0.37	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	126.4	167.4	178.8	0	0	0	0	108.6	T294 K370 V371 K372	T294-V387 HydrophobicContact CG2-CG1 3.83Å; T294-V387 HydrophobicContact CG2-CG2 4.28Å; K370-V387 HydrophobicContact CB-CG1 3.91Å; K370-V387 HydrophobicContact CD-CG1 4.38Å; K370-V387 HydrophobicContact CG-CG1 4.27Å; V371-V387 WeakPolarHBondContact O-CA 3.46Å; K372-V387 HydrophobicContact CG-CG2 4.41Å
388	V	90.9	Very high	85.5	Confident	38 Å²	38	39.7 Å²	39.7	23%	0.23	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	169.7	178.9	-60.4	0	0	0	0	110.1	K370 V371 M373	K370-V388 WeakPolarHBondContact CA-O 3.36Å; V371-V388 HydrophobicContact CG1-CG2 3.73Å; V371-V388 PolarHBondContact N-O 2.79Å; V371-V388 PolarHBondContact O-N 3.45Å; M373-V388 HydrophobicContact CB-CG2 3.81Å; M373-V388 HydrophobicContact CE-CG2 4.02Å; M373-V388 HydrophobicContact SD-CG2 4.35Å
389	N	93.4	Very high	86.3	Confident	77 Å²	77	38.1 Å²	38.1	41%	0.412	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	140.5	171.6	-57.2	-30.5	0	0	0	109.6	K370 H418	K370-N389 PolarHBondContact NZ-OD1 2.93Å; N389-H418 PolarHBondContact ND2-CE1 3.01Å; N389-H418 PolarHBondContact OD1-CE1 3.4Å
390	A	93.8	Very high	87	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.008	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-70.9	147.9	169.7	0	0	0	0	0	110.2	G369 V371 Q394 V395 C422	G369-A390 PolarHBondContact O-N 2.65Å; V371-A390 HydrophobicContact CG1-CB 4.44Å; A390-Q394 HydrophobicContact CB-CB 4.21Å; A390-V395 HydrophobicContact CB-CG2 3.77Å; A390-C422 PolarHBondContact O-SG 2.82Å; A390-C422 VanDerWaalsContact O-SG 3.38Å
391	S	93.3	Very high	87.7	Confident	7 Å²	7	31.3 Å²	31.3	5%	0.049	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-68.6	162.3	170.9	60.4	0	0	0	0	111.4	A393 Q394 V395 H423 A426	S391-A393 VanDerWaalsContact C-N 3.33Å; S391-A393 PolarHBondContact O-N 3.13Å; S391-Q394 PolarHBondContact O-N 2.68Å; S391-Q394 VanDerWaalsContact OG-CG 3.27Å; S391-Q394 WeakPolarHBondContact OG-CG 3.43Å; S391-Q394 PolarHBondContact OG-N 2.62Å; S391-Q394 PolarHBondContact OG-OE1 3.33Å; S391-V395 WeakPolarHBondContact O-CG2 3.38Å; S391-V395 PolarHBondContact O-N 2.83Å; S391-V395 VanDerWaalsContact O-N 3.08Å; S391-H423 CarbonylContact C-O 3.56Å; S391-H423 WeakPolarHBondContact CA-O 3.4Å; S391-H423 WeakPolarHBondContact CB-O 3.4Å; S391-A426 PolarHBondContact OG-N 3.09Å
392	K	93.5	Very high	88.4	Confident	34 Å²	34	30.7 Å²	30.7	15%	0.148	16%	0.164	C	C	.	.	H	α-helix	trans	-58.4	-46.8	176.6	-66.2	-178.3	-171.5	161	0	111.4	Q394 V395 D396 Y419 C422 H423 E424	K392-Q394 VanDerWaalsContact C-N 3.27Å; K392-Q394 PolarHBondContact O-N 3.3Å; K392-V395 PolarHBondContact O-N 3.42Å; K392-V395 VanDerWaalsContact O-N 3.1Å; K392-D396 WeakPolarHBondContact O-CB 3.26Å; K392-D396 VanDerWaalsContact O-CG 3.24Å; K392-D396 PolarHBondContact O-N 2.94Å; K392-Y419 HydrophobicContact CB-CE2 3.87Å; K392-Y419 HydrophobicContact CD-CE2 4.28Å; K392-Y419 VanDerWaalsContact CE-O 3.24Å; K392-Y419 WeakPolarHBondContact CE-O 3.15Å; K392-Y419 HydrophobicContact CG-CD2 4.17Å; K392-Y419 HydrophobicContact CG-CE2 3.72Å; K392-C422 VanDerWaalsContact CE-O 3.29Å; K392-C422 WeakPolarHBondContact CE-O 3.18Å; K392-C422 HydrophobicContact CG-CB 4.02Å; K392-H423 PolarHBondContact N-O 3.09Å; K392-E424 WeakPolarHBondContact CD-OE2 3.35Å; K392-E424 PolarHBondContact N-O 2.87Å; K392-E424 IonicContact NZ-OE2 3.95Å; K392-E424 PolarHBondContact NZ-OE2 3.13Å
393	A	88.7	Confident	88.9	Confident	14 Å²	14	30.2 Å²	30.2	12%	0.116	16%	0.161	C	C	.	.	H	α-helix	trans	-54.9	-41.3	177	0	0	0	0	0	112.8	S391 Q397 E424 F425	S391-A393 VanDerWaalsContact C-N 3.33Å; S391-A393 PolarHBondContact O-N 3.13Å; A393-Q397 WeakPolarHBondContact O-CG 3.39Å; A393-Q397 PolarHBondContact O-N 3.46Å; A393-E424 WeakPolarHBondContact CB-O 3.45Å; A393-E424 PolarHBondContact N-O 2.98Å; A393-F425 HydrophobicContact CB-CD1 3.72Å; A393-F425 HydrophobicContact CB-CE1 4.09Å
394	Q	91.1	Very high	88.9	Confident	34 Å²	34	29.7 Å²	29.7	16%	0.159	16%	0.156	C	C	.	.	H	α-helix	trans	-66.4	-46.7	176.5	-73	172.5	-66.6	0	0	112.1	A390 S391 K392 D396 Q397 R398	A390-Q394 HydrophobicContact CB-CB 4.21Å; S391-Q394 PolarHBondContact O-N 2.68Å; S391-Q394 VanDerWaalsContact OG-CG 3.27Å; S391-Q394 WeakPolarHBondContact OG-CG 3.43Å; S391-Q394 PolarHBondContact OG-N 2.62Å; S391-Q394 PolarHBondContact OG-OE1 3.33Å; K392-Q394 VanDerWaalsContact C-N 3.27Å; K392-Q394 PolarHBondContact O-N 3.3Å; Q394-D396 VanDerWaalsContact C-N 3.29Å; Q394-D396 PolarHBondContact O-N 3.44Å; Q394-Q397 PolarHBondContact O-N 3.14Å; Q394-R398 VanDerWaalsContact O-CG 3.27Å; Q394-R398 WeakPolarHBondContact O-CG 3.39Å; Q394-R398 PolarHBondContact O-N 3.35Å
395	V	93.3	Very high	88.8	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-63.3	-37.6	178.9	174	0	0	0	0	111.2	A390 S391 K392 R398 A399 R412 F414 Y419	A390-V395 HydrophobicContact CB-CG2 3.77Å; S391-V395 WeakPolarHBondContact O-CG2 3.38Å; S391-V395 PolarHBondContact O-N 2.83Å; S391-V395 VanDerWaalsContact O-N 3.08Å; K392-V395 PolarHBondContact O-N 3.42Å; K392-V395 VanDerWaalsContact O-N 3.1Å; V395-R398 WeakPolarHBondContact O-CB 3.42Å; V395-R398 PolarHBondContact O-N 3.41Å; V395-A399 PolarHBondContact O-N 3.23Å; V395-R412 HydrophobicContact CG1-CG 4.45Å; V395-F414 HydrophobicContact CG1-CE2 4.44Å; V395-F414 HydrophobicContact CG1-CZ 3.68Å; V395-F414 HydrophobicContact CG2-CZ 4.2Å; V395-Y419 HydrophobicContact CG1-CD2 4.41Å
396	D	91.1	Very high	88.9	Confident	63 Å²	63	32.5 Å²	32.5	34%	0.337	17%	0.168	S	C	.	.	H	α-helix	trans	-70.2	-38.3	177.1	-66.2	-23.6	0	0	0	111.4	K392 Q394 R398 A399 G400 R412 Y419	K392-D396 WeakPolarHBondContact O-CB 3.26Å; K392-D396 VanDerWaalsContact O-CG 3.24Å; K392-D396 PolarHBondContact O-N 2.94Å; Q394-D396 VanDerWaalsContact C-N 3.29Å; Q394-D396 PolarHBondContact O-N 3.44Å; D396-R398 VanDerWaalsContact C-N 3.34Å; D396-R398 PolarHBondContact O-N 3.22Å; D396-A399 PolarHBondContact O-N 3.23Å; D396-G400 PolarHBondContact O-N 3.08Å; D396-R412 IonicContact OD1-CZ 3.96Å; D396-R412 IonicContact OD1-NH1 3.13Å; D396-R412 IonicContact OD1-NH2 2.79Å; D396-R412 PolarHBondContact OD1-NH2 3.27Å; D396-Y419 PolarHBondContact OD1-OH 3.06Å; D396-Y419 PolarHBondContact OD2-OH 3.05Å
397	Q	87.7	Confident	89.2	Confident	21 Å²	21	30.1 Å²	30.1	10%	0.098	17%	0.167	C	C	.	.	H	α-helix	trans	-62.3	-40.3	170.4	-77.6	-168.9	27	0	0	112.8	H195 T231 E354 A393 Q394 A399 G400 R401	H195-Q397 PolarHBondContact CD2-NE2 3.18Å; H195-Q397 PolarHBondContact NE2-NE2 2.98Å; H195-Q397 PolarHBondContact NE2-OE1 3.24Å; T231-Q397 HydrophobicContact CG2-CG 4.17Å; E354-Q397 PolarHBondContact O-OE1 3.16Å; A393-Q397 WeakPolarHBondContact O-CG 3.39Å; A393-Q397 PolarHBondContact O-N 3.46Å; Q394-Q397 PolarHBondContact O-N 3.14Å; Q397-A399 VanDerWaalsContact C-N 3.34Å; Q397-G400 PolarHBondContact O-N 3.06Å; Q397-R401 WeakPolarHBondContact O-CG 3.15Å; Q397-R401 PolarHBondContact O-N 2.79Å
398	R	92.9	Very high	89.4	Confident	1 Å²	1	27.3 Å²	27.3	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-61	-45	174.5	-69.6	172.3	-174.9	-173.1	3.9	110.8	F292 E354 D367 K370 Q394 V395 D396 R401	F292-R398 HydrophobicContact CD1-CG 3.89Å; F292-R398 HydrophobicContact CD2-CB 3.85Å; F292-R398 HydrophobicContact CD2-CG 3.81Å; F292-R398 HydrophobicContact CE1-CG 3.79Å; F292-R398 HydrophobicContact CE2-CB 3.62Å; F292-R398 HydrophobicContact CE2-CG 3.72Å; F292-R398 HydrophobicContact CG-CB 4.43Å; F292-R398 HydrophobicContact CG-CG 3.89Å; F292-R398 HydrophobicContact CZ-CB 4.01Å; F292-R398 HydrophobicContact CZ-CG 3.71Å; E354-R398 HydrophobicContact CG-CG 3.78Å; E354-R398 IonicContact OE1-CZ 2.94Å; E354-R398 IonicContact OE1-NE 3.42Å; E354-R398 PolarHBondContact OE1-NE 2.74Å; E354-R398 IonicContact OE1-NH2 3.52Å; E354-R398 PolarHBondContact OE1-NH2 3.07Å; D367-R398 VanDerWaalsContact CG-CD 3.45Å; D367-R398 WeakPolarHBondContact OD1-CD 3.27Å; D367-R398 IonicContact OD1-CZ 3.16Å; D367-R398 IonicContact OD1-NE 3.43Å; D367-R398 IonicContact OD1-NH1 2.96Å; D367-R398 PolarHBondContact OD1-NH1 3.2Å; D367-R398 WeakPolarHBondContact OD2-CD 3.48Å; D367-R398 IonicContact OD2-NH1 2.77Å; K370-R398 PolarHBondContact O-NH1 3.18Å; K370-R398 PolarHBondContact O-NH2 3.03Å; K370-R398 VanDerWaalsContact O-NH2 3.15Å; Q394-R398 VanDerWaalsContact O-CG 3.27Å; Q394-R398 WeakPolarHBondContact O-CG 3.39Å; Q394-R398 PolarHBondContact O-N 3.35Å; V395-R398 WeakPolarHBondContact O-CB 3.42Å; V395-R398 PolarHBondContact O-N 3.41Å; D396-R398 VanDerWaalsContact C-N 3.34Å; D396-R398 PolarHBondContact O-N 3.22Å; R398-R401 VanDerWaalsContact O-CB 3.3Å; R398-R401 WeakPolarHBondContact O-CB 3.07Å; R398-R401 PolarHBondContact O-N 3.47Å
399	A	92.2	Very high	89.7	Confident	6 Å²	6	27.1 Å²	27.1	5%	0.05	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-42.5	175.8	0	0	0	0	0	111.9	L258 V395 D396 Q397 R401 A402 C410	L258-A399 HydrophobicContact CD2-CB 4.07Å; V395-A399 PolarHBondContact O-N 3.23Å; D396-A399 PolarHBondContact O-N 3.23Å; Q397-A399 VanDerWaalsContact C-N 3.34Å; A399-R401 PolarHBondContact O-N 2.99Å; A399-A402 PolarHBondContact O-N 3.47Å; A399-C410 HydrophobicContact CB-CB 3.95Å
400	G	87.5	Confident	89.9	Confident	26 Å²	26	23.4 Å²	23.4	27%	0.268	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	1.9	175.6	0	0	0	0	0	115.2	D396 Q397 A402 R404	D396-G400 PolarHBondContact O-N 3.08Å; Q397-G400 PolarHBondContact O-N 3.06Å; G400-A402 VanDerWaalsContact C-N 3.35Å; G400-A402 CarbonylContact C-O 3.59Å; G400-A402 VanDerWaalsContact C-O 3.23Å; G400-R404 PolarHBondContact O-NE 3.16Å
401	R	87.4	Confident	90.1	Very high	10 Å²	10	25 Å²	25	4%	0.038	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-26.2	165.2	-60.6	-42	-169.5	131.3	-32.2	112.3	L290 F292 A353 E354 T355 L357 I365 Q397 R398 A399 R404	L290-R401 HydrophobicContact CD2-CB 4.02Å; L290-R401 HydrophobicContact CD2-CG 4.29Å; F292-R401 HydrophobicContact CZ-CG 4.14Å; A353-R401 PolarHBondContact O-NE 3.19Å; A353-R401 PolarHBondContact O-NH1 3.02Å; A353-R401 VanDerWaalsContact O-NH1 3.16Å; E354-R401 VanDerWaalsContact C-NE 3.3Å; E354-R401 PolarHBondContact O-NE 3.39Å; E354-R401 PolarHBondContact O-NH2 3.26Å; T355-R401 PolarHBondContact O-NH2 2.88Å; T355-R401 VanDerWaalsContact O-NH2 3.17Å; L357-R401 PolarHBondContact O-NH1 3.35Å; I365-R401 HydrophobicContact CD1-CB 3.79Å; Q397-R401 WeakPolarHBondContact O-CG 3.15Å; Q397-R401 PolarHBondContact O-N 2.79Å; R398-R401 VanDerWaalsContact O-CB 3.3Å; R398-R401 WeakPolarHBondContact O-CB 3.07Å; R398-R401 PolarHBondContact O-N 3.47Å; A399-R401 PolarHBondContact O-N 2.99Å; R401-R404 VanDerWaalsContact NE-NH2 3.12Å; R401-R404 VanDerWaalsContact NH1-NH2 3.17Å; R401-R404 VanDerWaalsContact NH2-NH2 3.14Å
402	A	87.5	Confident	90.3	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.008	13%	0.131	C	C	.	.	S	Bend	trans	-81.2	161.1	158.9	0	0	0	0	0	109.7	V256 I365 A399 G400	V256-A402 HydrophobicContact CG1-CB 4.07Å; V256-A402 HydrophobicContact CG2-CB 4.03Å; V256-A402 WeakPolarHBondContact CG2-O 3.47Å; I365-A402 HydrophobicContact CD1-CB 4.28Å; I365-A402 HydrophobicContact CG1-CB 3.69Å; A399-A402 PolarHBondContact O-N 3.47Å; G400-A402 VanDerWaalsContact C-N 3.35Å; G400-A402 CarbonylContact C-O 3.59Å; G400-A402 VanDerWaalsContact C-O 3.23Å
403	G	85	Confident	90.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	87.4	1.5	176.7	0	0	0	0	0	115.1	H254 M406	H254-G403 WeakPolarHBondContact CB-O 3.23Å; H254-G403 PolarHBondContact CD2-O 3.08Å; H254-G403 PolarHBondContact N-O 3.24Å; H254-G403 WeakPolarHBondContact O-CA 3.34Å; G403-M406 CarbonylContact C-O 3.6Å; G403-M406 WeakPolarHBondContact CA-O 3.25Å; G403-M406 PolarHBondContact N-O 3.38Å
404	R	79.3	Confident	90.8	Very high	31 Å²	31	23.4 Å²	23.4	12%	0.117	12%	0.123	C	C	.	.	S	Bend	trans	-78.8	-53.7	-177	-67.7	-169	177.8	-175.2	8.5	113.9	T97 T358 G400 R401	T97-R404 PolarHBondContact OG1-NH2 3.34Å; T358-R404 VanDerWaalsContact CA-NH1 3.29Å; T358-R404 HydrophobicContact CG2-CB 4.49Å; T358-R404 PolarHBondContact OG1-NH1 3.46Å; G400-R404 PolarHBondContact O-NE 3.16Å; R401-R404 VanDerWaalsContact NE-NH2 3.12Å; R401-R404 VanDerWaalsContact NH1-NH2 3.17Å; R401-R404 VanDerWaalsContact NH2-NH2 3.14Å
405	E	79	Confident	91	Very high	99 Å²	99	22.2 Å²	22.2	46%	0.463	12%	0.118	S	C	.	.	S	Bend	trans	-97.3	-21.6	-179	-65.4	175.8	173.7	0	0	111.7	N361	N361-E405 PolarHBondContact N-OE2 2.89Å
406	M	84.9	Confident	91.2	Very high	47 Å²	47	27.4 Å²	27.4	23%	0.232	14%	0.142	C	C	.	.	S	Bend	trans	-163.4	161.6	-174.4	63.7	-170.3	78.7	0	0	110.9	H254 R363 G403	H254-M406 VanDerWaalsContact CB-C 3.45Å; H254-M406 PolarHBondContact CD2-N 3.19Å; R363-M406 HydrophobicContact CB-SD 4.39Å; R363-M406 HydrophobicContact CG-CG 4.39Å; R363-M406 HydrophobicContact CG-SD 4.28Å; G403-M406 CarbonylContact C-O 3.6Å; G403-M406 WeakPolarHBondContact CA-O 3.25Å; G403-M406 PolarHBondContact N-O 3.38Å
407	P	91.1	Very high	91.3	Very high	60 Å²	60	31.6 Å²	31.6	39%	0.39	16%	0.16	S	C	.	.			trans	-56.4	138.5	172.9	-23.4	33.2	0	0	0	112	H254 P255 R363	H254-P407 HydrophobicContact CB-CB 4.35Å; H254-P407 HydrophobicContact CB-CG 4.02Å; P255-P407 HydrophobicContact CG-CB 4.32Å; P255-P407 WeakPolarHBondContact O-CA 3.49Å; R363-P407 PolarHBondContact NE-O 2.85Å
408	G	94	Very high	91.6	Very high	2 Å²	2	32.1 Å²	32.1	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	-177	-174.3	0	0	0	0	0	114	P255 V256 H257 R363	P255-G408 PolarHBondContact O-N 3.02Å; P255-G408 VanDerWaalsContact O-N 3.14Å; V256-G408 WeakPolarHBondContact CA-O 3.3Å; H257-G408 PolarHBondContact N-O 3.34Å; R363-G408 CarbonylContact O-C 3.49Å; R363-G408 WeakPolarHBondContact O-CA 3.48Å
409	E	97.2	Very high	91.7	Very high	33 Å²	33	33.9 Å²	33.9	15%	0.154	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139.6	-177.7	-59.9	177.9	-176.5	0	0	109.7	H257 F259 K283 R363 Y364 I365 Y411	H257-E409 HydrophobicContact CB-CG 4.36Å; H257-E409 CarbonylContact O-C 3.55Å; H257-E409 WeakPolarHBondContact O-CA 3.31Å; F259-E409 HydrophobicContact CD2-CB 4.49Å; F259-E409 HydrophobicContact CE2-CB 4Å; F259-E409 HydrophobicContact CE2-CG 4.08Å; K283-E409 WeakPolarHBondContact CE-OE2 3.48Å; K283-E409 IonicContact NZ-OE1 2.85Å; K283-E409 PolarHBondContact NZ-OE1 3.03Å; K283-E409 IonicContact NZ-OE2 2.67Å; K283-E409 PolarHBondContact NZ-OE2 3.48Å; R363-E409 PolarHBondContact O-N 2.97Å; Y364-E409 CarbonylContact C-O 3.55Å; Y364-E409 WeakPolarHBondContact CA-O 3.3Å; Y364-E409 HydrophobicContact CD1-CB 4.13Å; Y364-E409 HydrophobicContact CD1-CG 4.49Å; Y364-E409 HydrophobicContact CE1-CG 4.47Å; I365-E409 PolarHBondContact N-O 3.37Å; E409-Y411 HydrophobicContact CB-CD2 4.41Å; E409-Y411 HydrophobicContact CB-CE2 3.73Å; E409-Y411 WeakPolarHBondContact OE2-CE2 3.49Å; E409-Y411 VanDerWaalsContact OE2-CZ 3.3Å; E409-Y411 PolarHBondContact OE2-OH 2.73Å
410	C	97.8	Very high	91.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118.7	176.1	177.8	0	0	0	0	110.2	V256 H257 L258 F259 I365 A399	V256-C410 HydrophobicContact CG1-CB 3.87Å; H257-C410 PolarHBondContact O-N 3.2Å; L258-C410 HydrophobicContact CD2-CB 3.8Å; F259-C410 PolarHBondContact N-O 3.29Å; I365-C410 HydrophobicContact CB-CB 4.06Å; A399-C410 HydrophobicContact CB-CB 3.95Å
411	Y	98.2	Very high	92.2	Very high	33 Å²	33	41.6 Å²	41.6	13%	0.129	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	99.6	177.9	-65.2	-99.1	0	0	0	109.5	F259 T275 I279 K283 I365 V366 D367 E409 V413	F259-Y411 HydrophobicContact CB-CD1 3.91Å; F259-Y411 HydrophobicContact CB-CE1 4.28Å; F259-Y411 HydrophobicContact CB-CG 4.43Å; F259-Y411 HydrophobicContact CD2-CD1 4.09Å; F259-Y411 HydrophobicContact CD2-CD2 4.44Å; F259-Y411 AromaticContact CD2-CE1 3.84Å; F259-Y411 HydrophobicContact CD2-CE1 3.84Å; F259-Y411 HydrophobicContact CD2-CE2 4.19Å; F259-Y411 HydrophobicContact CD2-CG 4.38Å; F259-Y411 AromaticContact CD2-CZ 3.88Å; F259-Y411 HydrophobicContact CE2-CE1 4.32Å; F259-Y411 HydrophobicContact CE2-CE2 4.42Å; F259-Y411 HydrophobicContact CG-CD1 4.09Å; F259-Y411 AromaticContact CG-CE1 3.97Å; F259-Y411 HydrophobicContact CG-CE1 3.97Å; T275-Y411 HydrophobicContact CG2-CD1 4.01Å; T275-Y411 HydrophobicContact CG2-CG 3.89Å; I279-Y411 HydrophobicContact CD1-CD2 3.55Å; I279-Y411 HydrophobicContact CD1-CE2 3.74Å; I279-Y411 HydrophobicContact CD1-CG 4.08Å; I279-Y411 HydrophobicContact CG1-CD2 4.16Å; I279-Y411 HydrophobicContact CG1-CE2 3.86Å; K283-Y411 WeakPolarHBondContact CE-OH 3.47Å; K283-Y411 PolarHBondContact NZ-OH 3.5Å; I365-Y411 PolarHBondContact O-N 3.38Å; V366-Y411 WeakPolarHBondContact CA-O 3.46Å; D367-Y411 PolarHBondContact N-O 3.42Å; E409-Y411 HydrophobicContact CB-CD2 4.41Å; E409-Y411 HydrophobicContact CB-CE2 3.73Å; E409-Y411 WeakPolarHBondContact OE2-CE2 3.49Å; E409-Y411 VanDerWaalsContact OE2-CZ 3.3Å; E409-Y411 PolarHBondContact OE2-OH 2.73Å; Y411-V413 PolarHBondContact O-N 3.34Å
412	R	97.4	Very high	92.5	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.015	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	112.1	174.9	-67.4	175.2	178.6	-167.6	-4.7	108	F259 Y260 L261 V395 D396 F414	F259-R412 WeakPolarHBondContact O-CB 3.47Å; F259-R412 PolarHBondContact O-N 3.44Å; Y260-R412 HydrophobicContact CD1-CB 3.91Å; Y260-R412 HydrophobicContact CE1-CB 4.18Å; Y260-R412 HydrophobicContact CE1-CG 4.31Å; Y260-R412 PolarHBondContact OH-NH1 3Å; L261-R412 PolarHBondContact N-O 3.03Å; V395-R412 HydrophobicContact CG1-CG 4.45Å; D396-R412 IonicContact OD1-CZ 3.96Å; D396-R412 IonicContact OD1-NH1 3.13Å; D396-R412 IonicContact OD1-NH2 2.79Å; D396-R412 PolarHBondContact OD1-NH2 3.27Å; R412-F414 HydrophobicContact CB-CD1 4.06Å; R412-F414 HydrophobicContact CB-CD2 4.33Å; R412-F414 HydrophobicContact CB-CE1 3.61Å; R412-F414 HydrophobicContact CB-CE2 3.94Å; R412-F414 HydrophobicContact CB-CG 4.4Å; R412-F414 HydrophobicContact CB-CZ 3.56Å; R412-F414 HydrophobicContact CG-CE1 3.98Å; R412-F414 HydrophobicContact CG-CE2 4.21Å; R412-F414 HydrophobicContact CG-CZ 3.62Å; R412-F414 PolarHBondContact O-N 2.98Å
413	V	96.2	Very high	92.7	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.036	25%	0.247	C	C	.	.	S	Bend	trans	-81.1	43.3	179.6	-62.5	0	0	0	0	112.3	L261 N271 C272 V366 D367 Y411	L261-V413 HydrophobicContact CD1-CB 4.11Å; L261-V413 VanDerWaalsContact CD1-O 3.3Å; L261-V413 WeakPolarHBondContact CD1-O 3.32Å; N271-V413 HydrophobicContact CB-CB 4.08Å; N271-V413 HydrophobicContact CB-CG1 4.18Å; C272-V413 WeakPolarHBondContact SG-CG2 3.4Å; V366-V413 HydrophobicContact CG1-CG1 4.1Å; D367-V413 WeakPolarHBondContact O-CG2 3.45Å; D367-V413 PolarHBondContact O-N 2.82Å; Y411-V413 PolarHBondContact O-N 3.34Å
414	F	96.2	Very high	92.9	Very high	12 Å²	12	54.1 Å²	54.1	5%	0.053	27%	0.27	C	S	.	.	S	Bend	trans	-150.9	166.8	176	51.4	-87.7	0	0	0	109	Y260 L261 D367 V395 R412 H418	Y260-F414 HydrophobicContact CE1-CE2 4.37Å; L261-F414 PolarHBondContact N-O 2.86Å; D367-F414 HydrophobicContact CB-CE1 4.43Å; D367-F414 WeakPolarHBondContact O-CE1 3.37Å; V395-F414 HydrophobicContact CG1-CE2 4.44Å; V395-F414 HydrophobicContact CG1-CZ 3.68Å; V395-F414 HydrophobicContact CG2-CZ 4.2Å; R412-F414 HydrophobicContact CB-CD1 4.06Å; R412-F414 HydrophobicContact CB-CD2 4.33Å; R412-F414 HydrophobicContact CB-CE1 3.61Å; R412-F414 HydrophobicContact CB-CE2 3.94Å; R412-F414 HydrophobicContact CB-CG 4.4Å; R412-F414 HydrophobicContact CB-CZ 3.56Å; R412-F414 HydrophobicContact CG-CE1 3.98Å; R412-F414 HydrophobicContact CG-CE2 4.21Å; R412-F414 HydrophobicContact CG-CZ 3.62Å; R412-F414 PolarHBondContact O-N 2.98Å; F414-H418 HydrophobicContact CB-CB 4.39Å; F414-H418 HydrophobicContact CD2-CB 4.29Å; F414-H418 AromaticContact CD2-CD2 3.7Å; F414-H418 AromaticContact CG-CD2 3.88Å
415	T	96	Very high	93.4	Very high	10 Å²	10	56.6 Å²	56.6	6%	0.061	28%	0.281	C	S	.	.			trans	-78.2	157.7	-176.7	57.4	0	0	0	0	112.2	L261 N264 E417 H418 Y419	L261-T415 WeakPolarHBondContact O-CA 3.37Å; L261-T415 WeakPolarHBondContact O-CG2 3.4Å; N264-T415 HydrophobicContact CB-CG2 4.44Å; N264-T415 WeakPolarHBondContact OD1-CB 3.37Å; N264-T415 WeakPolarHBondContact OD1-CG2 3.42Å; N264-T415 PolarHBondContact OD1-OG1 3.46Å; T415-E417 VanDerWaalsContact C-N 3.26Å; T415-E417 PolarHBondContact O-N 3.33Å; T415-H418 WeakPolarHBondContact O-CB 3.36Å; T415-H418 PolarHBondContact O-N 2.97Å; T415-H418 VanDerWaalsContact O-N 3.17Å; T415-H418 WeakPolarHBondContact OG1-CB 3.19Å; T415-H418 PolarHBondContact OG1-N 3.32Å; T415-H418 VanDerWaalsContact OG1-N 3.13Å; T415-Y419 PolarHBondContact O-N 2.96Å; T415-Y419 VanDerWaalsContact O-N 3.17Å
416	E	96.2	Very high	93.8	Very high	111 Å²	111	53.9 Å²	53.9	52%	0.519	28%	0.276	S	S	.	.	H	α-helix	trans	-63.2	-34.9	171.6	-172.6	173.8	-157.7	0	0	111.6	Y260 H418 Y419 L420	Y260-E416 HydrophobicContact CD1-CB 4.05Å; Y260-E416 HydrophobicContact CD2-CB 4.05Å; Y260-E416 HydrophobicContact CD2-CG 4.41Å; Y260-E416 HydrophobicContact CE1-CB 4.24Å; Y260-E416 HydrophobicContact CE1-CG 4.47Å; Y260-E416 HydrophobicContact CE2-CB 4.25Å; Y260-E416 HydrophobicContact CE2-CG 4.15Å; Y260-E416 HydrophobicContact CG-CB 3.93Å; E416-H418 VanDerWaalsContact C-N 3.29Å; E416-H418 PolarHBondContact O-N 3Å; E416-Y419 WeakPolarHBondContact O-CB 3.31Å; E416-Y419 PolarHBondContact O-N 2.75Å; E416-L420 HydrophobicContact CG-CD1 4.38Å; E416-L420 WeakPolarHBondContact O-CG 3.13Å; E416-L420 PolarHBondContact O-N 3.45Å
417	E	94.6	Very high	94	Very high	151 Å²	151	56.4 Å²	56.4	71%	0.706	29%	0.287	S	S	*	.	H	α-helix	trans	-58.9	-41.9	172.5	-173.6	-179.8	-172.6	0	0	111.5	T415 L420 S421	T415-E417 VanDerWaalsContact C-N 3.26Å; T415-E417 PolarHBondContact O-N 3.33Å; E417-L420 PolarHBondContact O-N 3.31Å; E417-S421 WeakPolarHBondContact O-CB 3.39Å; E417-S421 PolarHBondContact O-N 2.88Å
418	H	93.6	Very high	93.9	Very high	32 Å²	32	54.3 Å²	54.3	15%	0.148	27%	0.273	C	S	.	.	H	α-helix	trans	-60.6	-47	175	-175.2	62.9	0	0	0	111.6	N389 F414 T415 E416 L420 S421 C422	N389-H418 PolarHBondContact ND2-CE1 3.01Å; N389-H418 PolarHBondContact OD1-CE1 3.4Å; F414-H418 HydrophobicContact CB-CB 4.39Å; F414-H418 HydrophobicContact CD2-CB 4.29Å; F414-H418 AromaticContact CD2-CD2 3.7Å; F414-H418 AromaticContact CG-CD2 3.88Å; T415-H418 WeakPolarHBondContact O-CB 3.36Å; T415-H418 PolarHBondContact O-N 2.97Å; T415-H418 VanDerWaalsContact O-N 3.17Å; T415-H418 WeakPolarHBondContact OG1-CB 3.19Å; T415-H418 PolarHBondContact OG1-N 3.32Å; T415-H418 VanDerWaalsContact OG1-N 3.13Å; E416-H418 VanDerWaalsContact C-N 3.29Å; E416-H418 PolarHBondContact O-N 3Å; H418-L420 VanDerWaalsContact C-N 3.35Å; H418-L420 PolarHBondContact O-N 2.99Å; H418-S421 PolarHBondContact O-N 3.05Å; H418-S421 VanDerWaalsContact O-N 3.14Å; H418-S421 PolarHBondContact O-OG 3.01Å; H418-C422 PolarHBondContact O-N 3.43Å; H418-C422 PolarHBondContact O-SG 3.37Å; H418-C422 VanDerWaalsContact O-SG 3.38Å
419	Y	95.3	Very high	93.8	Very high	38 Å²	38	56.9 Å²	56.9	15%	0.149	29%	0.285	C	S	.	.	H	α-helix	trans	-56.2	-47.3	176.1	171.4	-106.2	0	0	0	112.4	Y260 K392 V395 D396 T415 E416 S421 C422	Y260-Y419 HydrophobicContact CE1-CG 4.33Å; K392-Y419 HydrophobicContact CB-CE2 3.87Å; K392-Y419 HydrophobicContact CD-CE2 4.28Å; K392-Y419 VanDerWaalsContact CE-O 3.24Å; K392-Y419 WeakPolarHBondContact CE-O 3.15Å; K392-Y419 HydrophobicContact CG-CD2 4.17Å; K392-Y419 HydrophobicContact CG-CE2 3.72Å; V395-Y419 HydrophobicContact CG1-CD2 4.41Å; D396-Y419 PolarHBondContact OD1-OH 3.06Å; D396-Y419 PolarHBondContact OD2-OH 3.05Å; T415-Y419 PolarHBondContact O-N 2.96Å; T415-Y419 VanDerWaalsContact O-N 3.17Å; E416-Y419 WeakPolarHBondContact O-CB 3.31Å; E416-Y419 PolarHBondContact O-N 2.75Å; Y419-S421 PolarHBondContact O-N 3.19Å; Y419-C422 WeakPolarHBondContact O-CB 3.47Å; Y419-C422 PolarHBondContact O-N 3.46Å; Y419-C422 VanDerWaalsContact O-N 3.17Å
420	L	95.2	Very high	93.5	Very high	110 Å²	110	55.4 Å²	55.4	58%	0.576	28%	0.278	S	S	*	.	H	α-helix	trans	-65	-27.7	-179.9	-67.5	173.8	0	0	0	112.5	E416 E417 H418	E416-L420 HydrophobicContact CG-CD1 4.38Å; E416-L420 WeakPolarHBondContact O-CG 3.13Å; E416-L420 PolarHBondContact O-N 3.45Å; E417-L420 PolarHBondContact O-N 3.31Å; H418-L420 VanDerWaalsContact C-N 3.35Å; H418-L420 PolarHBondContact O-N 2.99Å
421	S	93.8	Very high	93.2	Very high	83 Å²	83	59.6 Å²	59.6	58%	0.58	30%	0.296	S	S	*	.	H	α-helix	trans	-79.5	-16	176.7	78.3	0	0	0	0	114.7	E417 H418 Y419	E417-S421 WeakPolarHBondContact O-CB 3.39Å; E417-S421 PolarHBondContact O-N 2.88Å; H418-S421 PolarHBondContact O-N 3.05Å; H418-S421 VanDerWaalsContact O-N 3.14Å; H418-S421 PolarHBondContact O-OG 3.01Å; Y419-S421 PolarHBondContact O-N 3.19Å
422	C	93.3	Very high	92.8	Very high	16 Å²	16	59.3 Å²	59.3	11%	0.108	30%	0.295	C	S	.	.	S	Bend	trans	-69.1	152.9	-179.6	-72.2	0	0	0	0	112.2	A390 K392 H418 Y419	A390-C422 PolarHBondContact O-SG 2.82Å; A390-C422 VanDerWaalsContact O-SG 3.38Å; K392-C422 VanDerWaalsContact CE-O 3.29Å; K392-C422 WeakPolarHBondContact CE-O 3.18Å; K392-C422 HydrophobicContact CG-CB 4.02Å; H418-C422 PolarHBondContact O-N 3.43Å; H418-C422 PolarHBondContact O-SG 3.37Å; H418-C422 VanDerWaalsContact O-SG 3.38Å; Y419-C422 WeakPolarHBondContact O-CB 3.47Å; Y419-C422 PolarHBondContact O-N 3.46Å; Y419-C422 VanDerWaalsContact O-N 3.17Å
423	H	92.1	Very high	92.4	Very high	157 Å²	157	59.8 Å²	59.8	73%	0.727	30%	0.299	S	S	*	.			trans	-63.4	147.5	168.6	-61.7	-70.4	0	0	0	110.6	S391 K392	S391-H423 CarbonylContact C-O 3.56Å; S391-H423 WeakPolarHBondContact CA-O 3.4Å; S391-H423 WeakPolarHBondContact CB-O 3.4Å; K392-H423 PolarHBondContact N-O 3.09Å
424	E	90.4	Very high	92.1	Very high	102 Å²	102	60.6 Å²	60.6	48%	0.477	30%	0.304	S	S	.	.	S	Bend	trans	-61.3	-50.7	-179.1	-161.6	65.6	-156.9	0	0	111.3	K392 A393	K392-E424 WeakPolarHBondContact CD-OE2 3.35Å; K392-E424 PolarHBondContact N-O 2.87Å; K392-E424 IonicContact NZ-OE2 3.95Å; K392-E424 PolarHBondContact NZ-OE2 3.13Å; A393-E424 WeakPolarHBondContact CB-O 3.45Å; A393-E424 PolarHBondContact N-O 2.98Å
425	F	88.3	Confident	91.9	Very high	83 Å²	83	60.6 Å²	60.6	36%	0.364	31%	0.305	S	S	.	.	S	Bend	trans	-121.4	157	179.7	-55.3	-70.3	0	0	0	111.2	A393	A393-F425 HydrophobicContact CB-CD1 3.72Å; A393-F425 HydrophobicContact CB-CE1 4.09Å
426	A	87.4	Confident	91.8	Very high	42 Å²	42	60.4 Å²	60.4	35%	0.347	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-70.1	145.3	170	0	0	0	0	0	110	S391	S391-A426 PolarHBondContact OG-N 3.09Å
427	E	89.1	Confident	91.6	Very high	100 Å²	100	57 Å²	57	47%	0.467	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-66.7	129.9	173.9	-173.1	174.9	-142.1	0	0	110.3	K431 R432	E427-K431 HydrophobicContact CG-CB 4.01Å; E427-K431 HydrophobicContact CG-CD 4.34Å; E427-R432 PolarHBondContact O-NE 2.94Å
428	P	90.3	Very high	91.5	Very high	15 Å²	15	50 Å²	50	10%	0.097	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-55.4	144.9	178.9	-27.7	35.5	0	0	0	112.8	R197 I430 K431	R197-P428 HydrophobicContact CB-CB 4.13Å; R197-P428 HydrophobicContact CB-CG 4.42Å; P428-I430 HydrophobicContact CB-CG2 4.14Å; P428-I430 PolarHBondContact O-N 3.38Å; P428-I430 VanDerWaalsContact O-N 3.15Å; P428-K431 PolarHBondContact O-N 3.15Å; P428-K431 VanDerWaalsContact O-N 3.11Å
429	E	91.6	Very high	91.6	Very high	56 Å²	56	48.8 Å²	48.8	26%	0.262	25%	0.253	S	S	.	.	H	α-helix	trans	-59.4	-30.6	-177.6	-79.3	-166.6	166	0	0	113.9	R197 L199 K431 R432 C433	R197-E429 PolarHBondContact O-N 3.26Å; L199-E429 HydrophobicContact CB-CB 3.85Å; L199-E429 VanDerWaalsContact N-CB 3.3Å; L199-E429 PolarHBondContact N-OE2 3.45Å; E429-K431 PolarHBondContact O-N 3.36Å; E429-K431 VanDerWaalsContact O-N 3.13Å; E429-R432 PolarHBondContact O-N 2.96Å; E429-R432 IonicContact OE1-CZ 3.18Å; E429-R432 IonicContact OE1-NH1 2.73Å; E429-R432 IonicContact OE1-NH2 3.75Å; E429-R432 PolarHBondContact OE1-NH2 2.89Å; E429-C433 VanDerWaalsContact O-CB 3.3Å; E429-C433 WeakPolarHBondContact O-CB 3.27Å; E429-C433 PolarHBondContact O-N 2.95Å
430	I	91.6	Very high	91.6	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-23.4	179.2	-163	161	0	0	0	113.8	L199 D202 P428 L435 F455 D457 P459	L199-I430 HydrophobicContact CD1-CB 3.96Å; L199-I430 HydrophobicContact CD1-CD1 4.35Å; L199-I430 HydrophobicContact CD1-CG1 3.87Å; D202-I430 HydrophobicContact CB-CD1 4.26Å; D202-I430 VanDerWaalsContact OD2-CG2 3.3Å; D202-I430 WeakPolarHBondContact OD2-CG2 3.4Å; P428-I430 HydrophobicContact CB-CG2 4.14Å; P428-I430 PolarHBondContact O-N 3.38Å; P428-I430 VanDerWaalsContact O-N 3.15Å; I430-L435 HydrophobicContact CG1-CD2 4.03Å; I430-F455 HydrophobicContact CD1-CB 4.38Å; I430-F455 HydrophobicContact CD1-CD1 3.31Å; I430-F455 HydrophobicContact CD1-CD2 4.46Å; I430-F455 HydrophobicContact CD1-CE1 3.5Å; I430-F455 HydrophobicContact CD1-CG 3.83Å; I430-F455 HydrophobicContact CD1-CZ 4.15Å; I430-D457 HydrophobicContact CG2-CB 4.11Å; I430-P459 HydrophobicContact CD1-CG 4.37Å; I430-P459 HydrophobicContact CG1-CB 3.97Å; I430-P459 HydrophobicContact CG1-CG 4.3Å
431	K	90.4	Very high	91.6	Very high	87 Å²	87	42.7 Å²	42.7	38%	0.378	22%	0.223	S	C	.	.	H	α-helix	trans	-90.7	-15.4	177.3	-65.3	-177.7	-177.6	165.4	0	113.6	E427 P428 E429 D457	E427-K431 HydrophobicContact CG-CB 4.01Å; E427-K431 HydrophobicContact CG-CD 4.34Å; P428-K431 PolarHBondContact O-N 3.15Å; P428-K431 VanDerWaalsContact O-N 3.11Å; E429-K431 PolarHBondContact O-N 3.36Å; E429-K431 VanDerWaalsContact O-N 3.13Å; K431-D457 WeakPolarHBondContact CE-OD1 3.48Å; K431-D457 IonicContact NZ-OD1 3.98Å; K431-D457 PolarHBondContact NZ-OD1 3.36Å
432	R	88.7	Confident	91.6	Very high	28 Å²	28	38.8 Å²	38.8	11%	0.106	20%	0.195	C	C	.	.	H	α-helix	trans	-128.8	-5.4	-169.2	63.3	176.4	177	81.2	-3.7	115.6	R374 L375 Y376 E427 E429	R374-R432 PolarHBondContact O-NH1 3.48Å; R374-R432 VanDerWaalsContact O-NH1 3.12Å; L375-R432 CarbonylContact C-O 3.55Å; L375-R432 HydrophobicContact CD2-CB 4.25Å; Y376-R432 VanDerWaalsContact CB-O 3.27Å; Y376-R432 WeakPolarHBondContact CB-O 3.43Å; Y376-R432 PolarHBondContact N-O 3.41Å; E427-R432 PolarHBondContact O-NE 2.94Å; E429-R432 PolarHBondContact O-N 2.96Å; E429-R432 IonicContact OE1-CZ 3.18Å; E429-R432 IonicContact OE1-NH1 2.73Å; E429-R432 IonicContact OE1-NH2 3.75Å; E429-R432 PolarHBondContact OE1-NH2 2.89Å
433	C	89.2	Confident	91.6	Very high	14 Å²	14	38.6 Å²	38.6	10%	0.095	19%	0.193	C	C	.	.	S	Bend	trans	-113.1	156.2	-180	-71	0	0	0	0	111.3	L199 E429 L435	L199-C433 HydrophobicContact CD2-CB 4.43Å; E429-C433 VanDerWaalsContact O-CB 3.3Å; E429-C433 WeakPolarHBondContact O-CB 3.27Å; E429-C433 PolarHBondContact O-N 2.95Å; C433-L435 PolarHBondContact O-N 3.02Å
434	S	90	Very high	91.7	Very high	22 Å²	22	32.9 Å²	32.9	15%	0.154	17%	0.169	C	C	.	.			trans	-61.9	130.7	172.5	175.7	0	0	0	0	111.6	T436	S434-T436 VanDerWaalsContact C-N 3.34Å; S434-T436 PolarHBondContact OG-N 3.12Å; S434-T436 PolarHBondContact OG-OG1 3.44Å
435	L	92.5	Very high	91.8	Very high	12 Å²	12	28.7 Å²	28.7	6%	0.063	15%	0.15	C	C	.	.			trans	-87.7	-0.3	179.2	-55.1	173.4	0	0	0	113	L199 I430 C433 T437 V438 L439 P459 I464 A467	L199-L435 HydrophobicContact CD1-CD2 3.74Å; I430-L435 HydrophobicContact CG1-CD2 4.03Å; C433-L435 PolarHBondContact O-N 3.02Å; L435-T437 VanDerWaalsContact C-N 3.31Å; L435-T437 PolarHBondContact O-N 3.47Å; L435-V438 PolarHBondContact O-N 3.47Å; L435-V438 VanDerWaalsContact O-N 3.15Å; L435-L439 VanDerWaalsContact O-CB 3.31Å; L435-L439 WeakPolarHBondContact O-CB 3.31Å; L435-L439 PolarHBondContact O-N 3.32Å; L435-P459 HydrophobicContact CD1-CB 3.38Å; L435-P459 HydrophobicContact CD1-CG 3.98Å; L435-P459 HydrophobicContact CD2-CB 4.34Å; L435-P459 HydrophobicContact CG-CB 4.47Å; L435-I464 HydrophobicContact CD1-CG1 4.07Å; L435-A467 HydrophobicContact CB-CB 3.88Å
436	T	93.3	Very high	91.9	Very high	6 Å²	6	27.6 Å²	27.6	4%	0.037	16%	0.162	C	C	.	.	H	α-helix	trans	-54.9	-43	-171.9	-53.6	0	0	0	0	113	S434 L440 I470 L471 P501	S434-T436 VanDerWaalsContact C-N 3.34Å; S434-T436 PolarHBondContact OG-N 3.12Å; S434-T436 PolarHBondContact OG-OG1 3.44Å; T436-L440 PolarHBondContact O-N 3.49Å; T436-I470 HydrophobicContact CG2-CB 4.41Å; T436-I470 HydrophobicContact CG2-CG2 3.78Å; T436-L471 HydrophobicContact CG2-CD2 3.61Å; T436-L471 HydrophobicContact CG2-CG 3.88Å; T436-P501 HydrophobicContact CG2-CB 4.18Å; T436-P501 HydrophobicContact CG2-CG 4.04Å
437	T	93.7	Very high	92	Very high	41 Å²	41	27.2 Å²	27.2	25%	0.252	16%	0.156	S	C	.	.	H	α-helix	trans	-69.2	-47.8	178.7	-59.7	0	0	0	0	111.2	L435 L440 Q441 P501	L435-T437 VanDerWaalsContact C-N 3.31Å; L435-T437 PolarHBondContact O-N 3.47Å; T437-L440 PolarHBondContact O-N 2.8Å; T437-Q441 WeakPolarHBondContact O-CG 3.37Å; T437-Q441 PolarHBondContact O-N 3.44Å; T437-P501 WeakPolarHBondContact OG1-CD 3.3Å
438	V	92.6	Very high	91.7	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-46	-179.2	164.5	0	0	0	0	111.6	L199 V203 L435 L440 Q441 L442	L199-V438 HydrophobicContact CD1-CG2 3.9Å; L199-V438 HydrophobicContact CD2-CG2 3.57Å; L199-V438 HydrophobicContact CG-CG2 3.53Å; V203-V438 HydrophobicContact CG2-CB 4.23Å; V203-V438 HydrophobicContact CG2-CG1 3.34Å; V203-V438 HydrophobicContact CG2-CG2 3.81Å; L435-V438 PolarHBondContact O-N 3.47Å; L435-V438 VanDerWaalsContact O-N 3.15Å; V438-L440 VanDerWaalsContact C-N 3.28Å; V438-L440 PolarHBondContact O-N 3.28Å; V438-Q441 WeakPolarHBondContact O-CB 3.44Å; V438-Q441 PolarHBondContact O-N 3.48Å; V438-L442 HydrophobicContact CG1-CD1 3.75Å; V438-L442 HydrophobicContact CG1-CG 4.12Å; V438-L442 WeakPolarHBondContact O-CB 3.33Å; V438-L442 WeakPolarHBondContact O-CG 3.47Å; V438-L442 PolarHBondContact O-N 2.76Å
439	L	94.4	Very high	91.5	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-59.5	-41.7	179.5	-177.8	59.4	0	0	0	111	L435 Q441 L442 L443 A450 A467 S468 L471 L485	L435-L439 VanDerWaalsContact O-CB 3.31Å; L435-L439 WeakPolarHBondContact O-CB 3.31Å; L435-L439 PolarHBondContact O-N 3.32Å; L439-Q441 PolarHBondContact O-N 3.42Å; L439-L442 PolarHBondContact O-N 3.32Å; L439-L443 HydrophobicContact CG-CD1 4.27Å; L439-L443 WeakPolarHBondContact O-CB 3.49Å; L439-L443 WeakPolarHBondContact O-CD1 3.5Å; L439-L443 VanDerWaalsContact O-CG 3.23Å; L439-L443 WeakPolarHBondContact O-CG 3.31Å; L439-L443 PolarHBondContact O-N 2.84Å; L439-A450 HydrophobicContact CD1-CB 3.5Å; L439-A467 HydrophobicContact CD2-CB 3.83Å; L439-S468 WeakPolarHBondContact CD2-OG 3.17Å; L439-L471 HydrophobicContact CB-CD1 4Å; L439-L471 HydrophobicContact CD2-CD1 3.84Å; L439-L471 HydrophobicContact CG-CD1 3.8Å; L439-L485 HydrophobicContact CD1-CD1 4.23Å; L439-L485 HydrophobicContact CD2-CD1 4.01Å; L439-L485 HydrophobicContact CG-CD1 4.35Å
440	L	95.6	Very high	91.2	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-63.7	-40.4	175	-176.9	60.7	0	0	0	112.1	T436 T437 V438 L443 V444 L471 A476 L487 M494 A495 P501	T436-L440 PolarHBondContact O-N 3.49Å; T437-L440 PolarHBondContact O-N 2.8Å; V438-L440 VanDerWaalsContact C-N 3.28Å; V438-L440 PolarHBondContact O-N 3.28Å; L440-L443 PolarHBondContact O-N 3.31Å; L440-V444 WeakPolarHBondContact O-CG2 3.16Å; L440-V444 PolarHBondContact O-N 3.06Å; L440-L471 HydrophobicContact CB-CD1 4.13Å; L440-L471 HydrophobicContact CB-CD2 4.06Å; L440-L471 HydrophobicContact CD1-CD2 4.49Å; L440-L471 HydrophobicContact CD2-CD2 4.41Å; L440-A476 HydrophobicContact CD1-CB 4.21Å; L440-L487 HydrophobicContact CD1-CD1 3.62Å; L440-M494 HydrophobicContact CD2-CB 4.29Å; L440-A495 HydrophobicContact CD1-CB 4.39Å; L440-A495 HydrophobicContact CD2-CB 3.99Å; L440-A495 HydrophobicContact CG-CB 3.9Å; L440-P501 HydrophobicContact CD2-CB 4.4Å; L440-P501 HydrophobicContact CD2-CG 3.99Å
441	Q	94.6	Very high	90.8	Very high	15 Å²	15	27 Å²	27	7%	0.07	17%	0.169	C	C	.	.	H	α-helix	trans	-66.3	-44.6	177.7	-67.7	174.1	-59.8	0	0	111.8	I174 M178 T437 V438 L439 L443 V444 M445	I174-Q441 HydrophobicContact CG2-CB 4.32Å; M178-Q441 HydrophobicContact CE-CG 4.43Å; M178-Q441 HydrophobicContact SD-CB 4.09Å; M178-Q441 HydrophobicContact SD-CG 3.83Å; T437-Q441 WeakPolarHBondContact O-CG 3.37Å; T437-Q441 PolarHBondContact O-N 3.44Å; V438-Q441 WeakPolarHBondContact O-CB 3.44Å; V438-Q441 PolarHBondContact O-N 3.48Å; L439-Q441 PolarHBondContact O-N 3.42Å; Q441-L443 VanDerWaalsContact C-N 3.31Å; Q441-L443 PolarHBondContact O-N 3.1Å; Q441-V444 WeakPolarHBondContact O-CB 3.12Å; Q441-V444 PolarHBondContact O-N 3.19Å; Q441-V444 VanDerWaalsContact O-N 3.14Å; Q441-M445 WeakPolarHBondContact O-CG 3.11Å; Q441-M445 PolarHBondContact O-N 3.31Å
442	L	94	Very high	90.7	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-59.5	-41.4	175.8	-73.2	176.7	0	0	0	111.9	V203 V438 L439 V444 M445 G446 V447 A450 F453 F455	V203-L442 HydrophobicContact CG1-CD2 4.28Å; V438-L442 HydrophobicContact CG1-CD1 3.75Å; V438-L442 HydrophobicContact CG1-CG 4.12Å; V438-L442 WeakPolarHBondContact O-CB 3.33Å; V438-L442 WeakPolarHBondContact O-CG 3.47Å; V438-L442 PolarHBondContact O-N 2.76Å; L439-L442 PolarHBondContact O-N 3.32Å; L442-V444 VanDerWaalsContact C-N 3.32Å; L442-V444 PolarHBondContact O-N 3.45Å; L442-M445 HydrophobicContact CD2-SD 4.46Å; L442-M445 CarbonylContact O-C 3.49Å; L442-M445 WeakPolarHBondContact O-CA 3.3Å; L442-M445 WeakPolarHBondContact O-CB 3.38Å; L442-M445 PolarHBondContact O-N 2.82Å; L442-M445 VanDerWaalsContact O-N 3.09Å; L442-G446 PolarHBondContact O-N 3.3Å; L442-V447 HydrophobicContact CB-CB 4.09Å; L442-V447 HydrophobicContact CB-CG1 4.49Å; L442-V447 HydrophobicContact CD2-CG2 4.4Å; L442-V447 WeakPolarHBondContact O-CB 3.39Å; L442-V447 PolarHBondContact O-N 3.12Å; L442-A450 HydrophobicContact CD1-CB 4.44Å; L442-F453 HydrophobicContact CD1-CG 4.43Å; L442-F453 HydrophobicContact CD2-CD1 4.38Å; L442-F453 HydrophobicContact CD2-CD2 3.81Å; L442-F453 HydrophobicContact CD2-CE1 4.2Å; L442-F453 HydrophobicContact CD2-CE2 3.61Å; L442-F453 HydrophobicContact CD2-CG 4.17Å; L442-F453 HydrophobicContact CD2-CZ 3.8Å; L442-F455 HydrophobicContact CD1-CE1 4.47Å; L442-F455 HydrophobicContact CD1-CZ 3.71Å
443	L	94.2	Very high	90.8	Very high	12 Å²	12	30.2 Å²	30.2	6%	0.063	18%	0.184	C	C	.	.	H	α-helix	trans	-63.7	-36.8	175.6	-73	165.7	0	0	0	112.7	L439 L440 Q441 M445 G446 V447 L471 V477 L485 L487	L439-L443 HydrophobicContact CG-CD1 4.27Å; L439-L443 WeakPolarHBondContact O-CB 3.49Å; L439-L443 WeakPolarHBondContact O-CD1 3.5Å; L439-L443 VanDerWaalsContact O-CG 3.23Å; L439-L443 WeakPolarHBondContact O-CG 3.31Å; L439-L443 PolarHBondContact O-N 2.84Å; L440-L443 PolarHBondContact O-N 3.31Å; Q441-L443 VanDerWaalsContact C-N 3.31Å; Q441-L443 PolarHBondContact O-N 3.1Å; L443-M445 VanDerWaalsContact C-N 3.28Å; L443-M445 PolarHBondContact O-N 2.97Å; L443-G446 PolarHBondContact O-N 3.39Å; L443-G446 VanDerWaalsContact O-N 3.11Å; L443-V447 WeakPolarHBondContact CD2-O 3.31Å; L443-L471 HydrophobicContact CD1-CD1 4.45Å; L443-V477 HydrophobicContact CD1-CG1 3.45Å; L443-V477 VanDerWaalsContact CD1-CG1 3.45Å; L443-L485 HydrophobicContact CD1-CB 4.31Å; L443-L485 HydrophobicContact CD1-CD1 4.2Å; L443-L485 HydrophobicContact CD2-CB 3.77Å; L443-L487 HydrophobicContact CB-CD1 4.4Å
444	V	93.4	Very high	91	Very high	36 Å²	36	32.9 Å²	32.9	22%	0.218	20%	0.197	C	C	.	.	H	α-helix	trans	-65.6	-34.8	173.2	174.8	0	0	0	0	111.4	M178 L440 Q441 L442 G446 L487 A495	M178-V444 HydrophobicContact CB-CG1 3.94Å; M178-V444 HydrophobicContact CE-CB 3.82Å; M178-V444 HydrophobicContact CE-CG1 3.68Å; M178-V444 HydrophobicContact CE-CG2 3.92Å; M178-V444 HydrophobicContact CG-CB 4.49Å; M178-V444 HydrophobicContact CG-CG1 4.27Å; L440-V444 WeakPolarHBondContact O-CG2 3.16Å; L440-V444 PolarHBondContact O-N 3.06Å; Q441-V444 WeakPolarHBondContact O-CB 3.12Å; Q441-V444 PolarHBondContact O-N 3.19Å; Q441-V444 VanDerWaalsContact O-N 3.14Å; L442-V444 VanDerWaalsContact C-N 3.32Å; L442-V444 PolarHBondContact O-N 3.45Å; V444-G446 PolarHBondContact O-N 2.79Å; V444-L487 HydrophobicContact CB-CD2 4.47Å; V444-L487 HydrophobicContact CG2-CD2 3.71Å; V444-A495 HydrophobicContact CG2-CB 3.54Å
445	M	92.8	Very high	91.2	Very high	14 Å²	14	32.5 Å²	32.5	7%	0.069	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	0.3	173.4	-65.2	176.1	-174	0	0	113.6	I174 A177 M178 L181 V207 Q441 L442 L443	I174-M445 HydrophobicContact CB-CE 4.46Å; I174-M445 HydrophobicContact CG2-CE 3.62Å; I174-M445 WeakPolarHBondContact O-CE 3.3Å; A177-M445 HydrophobicContact CB-CE 3.71Å; M178-M445 HydrophobicContact CB-CE 4.49Å; M178-M445 HydrophobicContact CG-CE 3.58Å; M178-M445 HydrophobicContact CG-CG 4.08Å; L181-M445 WeakPolarHBondContact CD1-O 3.41Å; L181-M445 HydrophobicContact CD2-CB 3.67Å; L181-M445 HydrophobicContact CD2-CG 3.87Å; L181-M445 HydrophobicContact CD2-SD 4.36Å; V207-M445 HydrophobicContact CG2-CE 4.26Å; V207-M445 HydrophobicContact CG2-SD 3.91Å; Q441-M445 WeakPolarHBondContact O-CG 3.11Å; Q441-M445 PolarHBondContact O-N 3.31Å; L442-M445 HydrophobicContact CD2-SD 4.46Å; L442-M445 CarbonylContact O-C 3.49Å; L442-M445 WeakPolarHBondContact O-CA 3.3Å; L442-M445 WeakPolarHBondContact O-CB 3.38Å; L442-M445 PolarHBondContact O-N 2.82Å; L442-M445 VanDerWaalsContact O-N 3.09Å; L443-M445 VanDerWaalsContact C-N 3.28Å; L443-M445 PolarHBondContact O-N 2.97Å
446	G	90.3	Very high	91.2	Very high	61 Å²	61	32.6 Å²	32.6	63%	0.629	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.6	8	179.1	0	0	0	0	0	114.8	L442 L443 V444 S448	L442-G446 PolarHBondContact O-N 3.3Å; L443-G446 PolarHBondContact O-N 3.39Å; L443-G446 VanDerWaalsContact O-N 3.11Å; V444-G446 PolarHBondContact O-N 2.79Å; G446-S448 PolarHBondContact O-N 3.24Å
447	V	89.1	Confident	91.1	Very high	34 Å²	34	33.5 Å²	33.5	21%	0.206	20%	0.198	C	C	.	.			trans	-83.2	92.9	173.8	-177.5	0	0	0	0	108.7	L442 L443 D449 F453	L442-V447 HydrophobicContact CB-CB 4.09Å; L442-V447 HydrophobicContact CB-CG1 4.49Å; L442-V447 HydrophobicContact CD2-CG2 4.4Å; L442-V447 WeakPolarHBondContact O-CB 3.39Å; L442-V447 PolarHBondContact O-N 3.12Å; L443-V447 WeakPolarHBondContact CD2-O 3.31Å; V447-D449 VanDerWaalsContact C-N 3.32Å; V447-F453 HydrophobicContact CG1-CB 4.07Å; V447-F453 HydrophobicContact CG1-CD2 4.1Å; V447-F453 HydrophobicContact CG1-CG 4.5Å; V447-F453 HydrophobicContact CG2-CD2 3.9Å; V447-F453 HydrophobicContact CG2-CE2 4.32Å
448	S	84	Confident	91	Very high	57 Å²	57	40.1 Å²	40.1	40%	0.399	22%	0.218	S	C	.	.	S	Bend	trans	-73.3	-22.8	-179.1	55.9	0	0	0	0	114	G446	G446-S448 PolarHBondContact O-N 3.24Å
449	D	85.9	Confident	90.9	Very high	47 Å²	47	40.6 Å²	40.6	25%	0.251	22%	0.221	S	C	.	.			trans	-128.4	98.9	-179	-176.3	-4.2	0	0	0	109.7	V447 S451 K452	V447-D449 VanDerWaalsContact C-N 3.32Å; D449-S451 VanDerWaalsContact CG-OG 3.28Å; D449-S451 PolarHBondContact O-N 3.47Å; D449-S451 WeakPolarHBondContact OD1-CB 3.48Å; D449-S451 PolarHBondContact OD1-N 2.67Å; D449-S451 PolarHBondContact OD1-OG 2.73Å; D449-S451 PolarHBondContact OD2-OG 2.96Å; D449-K452 HydrophobicContact CB-CB 4.48Å; D449-K452 HydrophobicContact CB-CD 4.14Å; D449-K452 HydrophobicContact CB-CG 4.39Å; D449-K452 PolarHBondContact O-N 2.69Å; D449-K452 VanDerWaalsContact O-N 3.12Å; D449-K452 VanDerWaalsContact OD2-CD 3.23Å; D449-K452 WeakPolarHBondContact OD2-CD 3.37Å; D449-K452 WeakPolarHBondContact OD2-CE 3.36Å; D449-K452 WeakPolarHBondContact OD2-CG 3.49Å; D449-K452 IonicContact OD2-NZ 2.87Å; D449-K452 PolarHBondContact OD2-NZ 3.01Å
450	A	84.6	Confident	90.7	Very high	8 Å²	8	42.5 Å²	42.5	7%	0.066	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-63.6	-21.6	-179.8	0	0	0	0	0	113	L439 L442 K452 F453 F455 I464	L439-A450 HydrophobicContact CD1-CB 3.5Å; L442-A450 HydrophobicContact CD1-CB 4.44Å; A450-K452 PolarHBondContact O-N 3.13Å; A450-F453 WeakPolarHBondContact O-CB 2.97Å; A450-F453 PolarHBondContact O-N 3.11Å; A450-F455 WeakPolarHBondContact O-CE2 3.37Å; A450-I464 HydrophobicContact CB-CG2 4.45Å
451	S	84.2	Confident	90.4	Very high	58 Å²	58	49 Å²	49	41%	0.406	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-69.1	-22.4	176.7	75.3	0	0	0	0	112.9	D449	D449-S451 VanDerWaalsContact CG-OG 3.28Å; D449-S451 PolarHBondContact O-N 3.47Å; D449-S451 WeakPolarHBondContact OD1-CB 3.48Å; D449-S451 PolarHBondContact OD1-N 2.67Å; D449-S451 PolarHBondContact OD1-OG 2.73Å; D449-S451 PolarHBondContact OD2-OG 2.96Å
452	K	86.7	Confident	90.1	Very high	167 Å²	167	54.1 Å²	54.1	73%	0.726	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-93.7	-6.5	177.4	-67.8	176.4	-175.2	154.2	0	113.3	D449 A450	D449-K452 HydrophobicContact CB-CB 4.48Å; D449-K452 HydrophobicContact CB-CD 4.14Å; D449-K452 HydrophobicContact CB-CG 4.39Å; D449-K452 PolarHBondContact O-N 2.69Å; D449-K452 VanDerWaalsContact O-N 3.12Å; D449-K452 VanDerWaalsContact OD2-CD 3.23Å; D449-K452 WeakPolarHBondContact OD2-CD 3.37Å; D449-K452 WeakPolarHBondContact OD2-CE 3.36Å; D449-K452 WeakPolarHBondContact OD2-CG 3.49Å; D449-K452 IonicContact OD2-NZ 2.87Å; D449-K452 PolarHBondContact OD2-NZ 3.01Å; A450-K452 PolarHBondContact O-N 3.13Å
453	F	92.4	Very high	89.9	Confident	15 Å²	15	54.2 Å²	54.2	7%	0.066	29%	0.291	C	S	.	.	S	Bend	trans	-66.8	140.4	174.4	-171.9	-101.3	0	0	0	110.1	V207 L442 V447 A450 F455	V207-F453 HydrophobicContact CG2-CZ 4.18Å; L442-F453 HydrophobicContact CD1-CG 4.43Å; L442-F453 HydrophobicContact CD2-CD1 4.38Å; L442-F453 HydrophobicContact CD2-CD2 3.81Å; L442-F453 HydrophobicContact CD2-CE1 4.2Å; L442-F453 HydrophobicContact CD2-CE2 3.61Å; L442-F453 HydrophobicContact CD2-CG 4.17Å; L442-F453 HydrophobicContact CD2-CZ 3.8Å; V447-F453 HydrophobicContact CG1-CB 4.07Å; V447-F453 HydrophobicContact CG1-CD2 4.1Å; V447-F453 HydrophobicContact CG1-CG 4.5Å; V447-F453 HydrophobicContact CG2-CD2 3.9Å; V447-F453 HydrophobicContact CG2-CE2 4.32Å; A450-F453 WeakPolarHBondContact O-CB 2.97Å; A450-F453 PolarHBondContact O-N 3.11Å; F453-F455 VanDerWaalsContact C-N 3.25Å; F453-F455 HydrophobicContact CB-CD2 4.07Å; F453-F455 HydrophobicContact CB-CE2 3.75Å; F453-F455 HydrophobicContact CB-CZ 4.26Å; F453-F455 AromaticContact CD1-CD1 3.55Å; F453-F455 HydrophobicContact CD1-CD1 3.55Å; F453-F455 AromaticContact CD1-CD2 3.72Å; F453-F455 HydrophobicContact CD1-CD2 3.72Å; F453-F455 AromaticContact CD1-CE1 3.41Å; F453-F455 HydrophobicContact CD1-CE1 3.41Å; F453-F455 VanDerWaalsContact CD1-CE1 3.41Å; F453-F455 AromaticContact CD1-CE2 3.6Å; F453-F455 HydrophobicContact CD1-CE2 3.6Å; F453-F455 AromaticContact CD1-CG 3.71Å; F453-F455 HydrophobicContact CD1-CG 3.71Å; F453-F455 AromaticContact CD1-CZ 3.45Å; F453-F455 HydrophobicContact CD1-CZ 3.45Å; F453-F455 VanDerWaalsContact CD1-CZ 3.45Å; F453-F455 AromaticContact CE1-CD1 3.81Å; F453-F455 HydrophobicContact CE1-CD1 3.81Å; F453-F455 AromaticContact CE1-CE1 3.68Å; F453-F455 HydrophobicContact CE1-CE1 3.68Å; F453-F455 HydrophobicContact CE1-CG 4.36Å; F453-F455 HydrophobicContact CE1-CZ 4.14Å; F453-F455 HydrophobicContact CG-CD2 4.4Å; F453-F455 HydrophobicContact CG-CE2 4.11Å; F453-F455 HydrophobicContact CG-CZ 4.18Å; F453-F455 PolarHBondContact O-N 3.13Å
454	D	92.6	Very high	89.8	Confident	70 Å²	70	54.9 Å²	54.9	37%	0.374	29%	0.294	S	S	.	.			trans	-78.2	71.9	-176.3	-170.2	28.3	0	0	0	110.7	G206 K209 Y240	G206-D454 WeakPolarHBondContact CA-O 3.1Å; K209-D454 WeakPolarHBondContact CE-OD2 3.4Å; K209-D454 IonicContact NZ-OD2 3.05Å; K209-D454 PolarHBondContact NZ-OD2 2.81Å; Y240-D454 PolarHBondContact OH-O 3Å
455	F	93.5	Very high	89.7	Confident	13 Å²	13	58.6 Å²	58.6	6%	0.057	31%	0.309	C	S	.	.			trans	-79.1	141.6	171.9	-65.8	-72	0	0	0	111.2	V203 I430 L442 A450 F453 D457 P459	V203-F455 HydrophobicContact CG2-CE1 3.96Å; I430-F455 HydrophobicContact CD1-CB 4.38Å; I430-F455 HydrophobicContact CD1-CD1 3.31Å; I430-F455 HydrophobicContact CD1-CD2 4.46Å; I430-F455 HydrophobicContact CD1-CE1 3.5Å; I430-F455 HydrophobicContact CD1-CG 3.83Å; I430-F455 HydrophobicContact CD1-CZ 4.15Å; L442-F455 HydrophobicContact CD1-CE1 4.47Å; L442-F455 HydrophobicContact CD1-CZ 3.71Å; A450-F455 WeakPolarHBondContact O-CE2 3.37Å; F453-F455 VanDerWaalsContact C-N 3.25Å; F453-F455 HydrophobicContact CB-CD2 4.07Å; F453-F455 HydrophobicContact CB-CE2 3.75Å; F453-F455 HydrophobicContact CB-CZ 4.26Å; F453-F455 AromaticContact CD1-CD1 3.55Å; F453-F455 HydrophobicContact CD1-CD1 3.55Å; F453-F455 AromaticContact CD1-CD2 3.72Å; F453-F455 HydrophobicContact CD1-CD2 3.72Å; F453-F455 AromaticContact CD1-CE1 3.41Å; F453-F455 HydrophobicContact CD1-CE1 3.41Å; F453-F455 VanDerWaalsContact CD1-CE1 3.41Å; F453-F455 AromaticContact CD1-CE2 3.6Å; F453-F455 HydrophobicContact CD1-CE2 3.6Å; F453-F455 AromaticContact CD1-CG 3.71Å; F453-F455 HydrophobicContact CD1-CG 3.71Å; F453-F455 AromaticContact CD1-CZ 3.45Å; F453-F455 HydrophobicContact CD1-CZ 3.45Å; F453-F455 VanDerWaalsContact CD1-CZ 3.45Å; F453-F455 AromaticContact CE1-CD1 3.81Å; F453-F455 HydrophobicContact CE1-CD1 3.81Å; F453-F455 AromaticContact CE1-CE1 3.68Å; F453-F455 HydrophobicContact CE1-CE1 3.68Å; F453-F455 HydrophobicContact CE1-CG 4.36Å; F453-F455 HydrophobicContact CE1-CZ 4.14Å; F453-F455 HydrophobicContact CG-CD2 4.4Å; F453-F455 HydrophobicContact CG-CE2 4.11Å; F453-F455 HydrophobicContact CG-CZ 4.18Å; F453-F455 PolarHBondContact O-N 3.13Å; F455-D457 VanDerWaalsContact C-N 3.3Å; F455-D457 WeakPolarHBondContact CB-O 3.15Å; F455-D457 PolarHBondContact O-N 3.15Å; F455-P459 HydrophobicContact CD2-CG 4.3Å; F455-P459 HydrophobicContact CE2-CG 4.09Å
456	I	93.2	Very high	89.5	Confident	14 Å²	14	58.2 Å²	58.2	7%	0.072	31%	0.308	C	S	.	.	S	Bend	trans	-59.1	-42.8	169.7	-177.3	168.5	0	0	0	112.1	D202 F205 H236 I237 Y240	D202-I456 HydrophobicContact CB-CG2 4.3Å; F205-I456 HydrophobicContact CD2-CB 3.99Å; F205-I456 HydrophobicContact CD2-CD1 3.99Å; F205-I456 HydrophobicContact CD2-CG2 3.77Å; F205-I456 HydrophobicContact CE2-CD1 3.79Å; F205-I456 HydrophobicContact CE2-CG2 4.29Å; H236-I456 WeakPolarHBondContact NE2-CG1 3.32Å; I237-I456 HydrophobicContact CB-CD1 4.47Å; I237-I456 HydrophobicContact CG1-CD1 3.81Å; Y240-I456 HydrophobicContact CD1-CB 4.18Å; Y240-I456 HydrophobicContact CD1-CD1 4.44Å; Y240-I456 HydrophobicContact CD1-CG1 4.39Å; Y240-I456 VanDerWaalsContact CD2-CA 3.48Å; Y240-I456 HydrophobicContact CD2-CB 3.88Å; Y240-I456 HydrophobicContact CD2-CG1 4.18Å; Y240-I456 HydrophobicContact CE1-CB 4.4Å; Y240-I456 HydrophobicContact CE2-CB 4.06Å; Y240-I456 HydrophobicContact CG-CB 3.92Å; Y240-I456 HydrophobicContact CG-CD1 4.3Å; Y240-I456 HydrophobicContact CG-CG1 3.92Å
457	D	91.7	Very high	89.6	Confident	26 Å²	26	55.3 Å²	55.3	14%	0.139	28%	0.278	C	S	.	.	S	Bend	trans	-125.6	118.5	173.4	-86.3	-79.3	0	0	0	107.5	R197 H236 I430 K431 F455	R197-D457 IonicContact CZ-OD2 3.26Å; R197-D457 IonicContact NH1-OD2 3.87Å; R197-D457 PolarHBondContact NH1-OD2 2.91Å; R197-D457 IonicContact NH2-OD2 3.83Å; R197-D457 PolarHBondContact NH2-OD2 3.22Å; H236-D457 IonicContact CD2-OD2 3.17Å; H236-D457 IonicContact NE2-OD1 2.82Å; H236-D457 IonicContact NE2-OD2 2.69Å; H236-D457 PolarHBondContact NE2-OD2 2.98Å; I430-D457 HydrophobicContact CG2-CB 4.11Å; K431-D457 WeakPolarHBondContact CE-OD1 3.48Å; K431-D457 IonicContact NZ-OD1 3.98Å; K431-D457 PolarHBondContact NZ-OD1 3.36Å; F455-D457 VanDerWaalsContact C-N 3.3Å; F455-D457 WeakPolarHBondContact CB-O 3.15Å; F455-D457 PolarHBondContact O-N 3.15Å
458	R	91.3	Very high	89.7	Confident	179 Å²	179	54.2 Å²	54.2	68%	0.675	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-69.3	136.5	-179.4	-65.5	-175.6	-179.3	-159.8	-1.4	110.5
459	P	90.9	Very high	90	Very high	13 Å²	13	56.6 Å²	56.6	8%	0.084	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-63.5	160.1	167	24.3	-29	0	0	0	110.6	I430 L435 F455 I464	I430-P459 HydrophobicContact CD1-CG 4.37Å; I430-P459 HydrophobicContact CG1-CB 3.97Å; I430-P459 HydrophobicContact CG1-CG 4.3Å; L435-P459 HydrophobicContact CD1-CB 3.38Å; L435-P459 HydrophobicContact CD1-CG 3.98Å; L435-P459 HydrophobicContact CD2-CB 4.34Å; L435-P459 HydrophobicContact CG-CB 4.47Å; F455-P459 HydrophobicContact CD2-CG 4.3Å; F455-P459 HydrophobicContact CE2-CG 4.09Å; P459-I464 HydrophobicContact CB-CG1 4.25Å; P459-I464 HydrophobicContact CG-CD1 3.79Å; P459-I464 HydrophobicContact CG-CG1 3.85Å
460	S	89.7	Confident	90.3	Very high	46 Å²	46	55.4 Å²	55.4	32%	0.322	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-66.9	148.3	172.4	67.4	0	0	0	0	111.4	E462 G463 I464	S460-E462 WeakPolarHBondContact CB-OE2 3.5Å; S460-E462 PolarHBondContact O-N 3.33Å; S460-G463 WeakPolarHBondContact O-CA 3.49Å; S460-G463 PolarHBondContact O-N 3.12Å; S460-G463 PolarHBondContact OG-N 2.9Å; S460-G463 VanDerWaalsContact OG-N 3.11Å; S460-I464 PolarHBondContact O-N 3.11Å; S460-I464 VanDerWaalsContact O-N 3.08Å
461	E	89.2	Confident	90.7	Very high	142 Å²	142	55 Å²	55	66%	0.664	27%	0.269	S	S	*	.	H	α-helix	trans	-61	-38.7	176.7	-68.1	-172.7	177.1	0	0	110.9	G463 I464 Q465	E461-G463 VanDerWaalsContact C-N 3.26Å; E461-G463 PolarHBondContact O-N 2.85Å; E461-I464 PolarHBondContact O-N 3.36Å; E461-Q465 WeakPolarHBondContact O-CB 3.3Å; E461-Q465 VanDerWaalsContact O-CG 3.29Å; E461-Q465 WeakPolarHBondContact O-CG 3.34Å; E461-Q465 PolarHBondContact O-N 3.39Å
462	E	88.9	Confident	91.1	Very high	122 Å²	122	54.5 Å²	54.5	57%	0.57	27%	0.265	S	S	*	.	H	α-helix	trans	-61.5	-37.4	175.4	-57.5	82.5	-179	0	0	111.3	P378 S460 A466	P378-E462 HydrophobicContact CB-CB 4.22Å; S460-E462 WeakPolarHBondContact CB-OE2 3.5Å; S460-E462 PolarHBondContact O-N 3.33Å; E462-A466 WeakPolarHBondContact O-CB 3.24Å; E462-A466 PolarHBondContact O-N 3.38Å
463	G	90.5	Very high	91.3	Very high	5 Å²	5	49.2 Å²	49.2	5%	0.052	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-45.9	175.7	0	0	0	0	0	112.3	S460 E461 A467	S460-G463 WeakPolarHBondContact O-CA 3.49Å; S460-G463 PolarHBondContact O-N 3.12Å; S460-G463 PolarHBondContact OG-N 2.9Å; S460-G463 VanDerWaalsContact OG-N 3.11Å; E461-G463 VanDerWaalsContact C-N 3.26Å; E461-G463 PolarHBondContact O-N 2.85Å; G463-A467 WeakPolarHBondContact O-CB 3.37Å; G463-A467 PolarHBondContact O-N 3.02Å
464	I	91.2	Very high	91.4	Very high	26 Å²	26	48.7 Å²	48.7	13%	0.133	24%	0.239	C	C	.	.	H	α-helix	trans	-64.2	-46.6	177.5	-63.1	170.5	0	0	0	110.2	L435 A450 P459 S460 E461 A467 S468	L435-I464 HydrophobicContact CD1-CG1 4.07Å; A450-I464 HydrophobicContact CB-CG2 4.45Å; P459-I464 HydrophobicContact CB-CG1 4.25Å; P459-I464 HydrophobicContact CG-CD1 3.79Å; P459-I464 HydrophobicContact CG-CG1 3.85Å; S460-I464 PolarHBondContact O-N 3.11Å; S460-I464 VanDerWaalsContact O-N 3.08Å; E461-I464 PolarHBondContact O-N 3.36Å; I464-A467 PolarHBondContact O-N 2.88Å; I464-S468 WeakPolarHBondContact O-CB 3.46Å; I464-S468 PolarHBondContact O-N 2.74Å; I464-S468 PolarHBondContact O-OG 2.97Å
465	Q	90.2	Very high	91.5	Very high	113 Å²	113	46.6 Å²	46.6	53%	0.528	23%	0.234	S	C	.	.	H	α-helix	trans	-62.9	-45.1	179.6	-71.9	175.4	9	0	0	111.5	E461 A467 S468 M469	E461-Q465 WeakPolarHBondContact O-CB 3.3Å; E461-Q465 VanDerWaalsContact O-CG 3.29Å; E461-Q465 WeakPolarHBondContact O-CG 3.34Å; E461-Q465 PolarHBondContact O-N 3.39Å; Q465-A467 PolarHBondContact O-N 2.81Å; Q465-S468 WeakPolarHBondContact O-CB 3.34Å; Q465-S468 PolarHBondContact O-N 2.89Å; Q465-M469 WeakPolarHBondContact O-CG 3.48Å; Q465-M469 PolarHBondContact O-N 3.07Å
466	A	89.6	Confident	91.6	Very high	7 Å²	7	46 Å²	46	6%	0.058	23%	0.231	C	C	.	.	H	α-helix	trans	-59.9	-46	176.2	0	0	0	0	0	111.6	P378 E462 S468 M469 I470	P378-A466 HydrophobicContact CB-CB 4.06Å; E462-A466 WeakPolarHBondContact O-CB 3.24Å; E462-A466 PolarHBondContact O-N 3.38Å; A466-S468 PolarHBondContact O-N 3.33Å; A466-M469 PolarHBondContact O-N 2.77Å; A466-I470 VanDerWaalsContact O-CG1 3.31Å; A466-I470 WeakPolarHBondContact O-CG1 3.3Å; A466-I470 PolarHBondContact O-N 3.22Å
467	A	92	Very high	91.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-41.8	176.4	0	0	0	0	0	112.4	L435 L439 G463 I464 Q465 I470 L471	L435-A467 HydrophobicContact CB-CB 3.88Å; L439-A467 HydrophobicContact CD2-CB 3.83Å; G463-A467 WeakPolarHBondContact O-CB 3.37Å; G463-A467 PolarHBondContact O-N 3.02Å; I464-A467 PolarHBondContact O-N 2.88Å; Q465-A467 PolarHBondContact O-N 2.81Å; A467-I470 PolarHBondContact O-N 2.83Å; A467-L471 WeakPolarHBondContact O-CG 3.29Å; A467-L471 PolarHBondContact O-N 3.48Å
468	S	92.2	Very high	91.7	Very high	11 Å²	11	47.1 Å²	47.1	8%	0.077	24%	0.24	C	C	.	.	H	α-helix	trans	-60.5	-46.8	176.4	-56.1	0	0	0	0	111.6	L439 I464 Q465 A466 I470 L471 C472	L439-S468 WeakPolarHBondContact CD2-OG 3.17Å; I464-S468 WeakPolarHBondContact O-CB 3.46Å; I464-S468 PolarHBondContact O-N 2.74Å; I464-S468 PolarHBondContact O-OG 2.97Å; Q465-S468 WeakPolarHBondContact O-CB 3.34Å; Q465-S468 PolarHBondContact O-N 2.89Å; A466-S468 PolarHBondContact O-N 3.33Å; S468-I470 PolarHBondContact O-N 2.77Å; S468-L471 PolarHBondContact O-N 3.38Å; S468-C472 WeakPolarHBondContact O-CB 3.49Å; S468-C472 PolarHBondContact O-N 2.87Å
469	M	90.1	Very high	91.5	Very high	106 Å²	106	44 Å²	44	52%	0.522	23%	0.232	S	C	.	.	H	α-helix	trans	-61.9	-43.5	177.5	-74	-169.8	-74.5	0	0	111.9	Q465 A466 C472 K473	Q465-M469 WeakPolarHBondContact O-CG 3.48Å; Q465-M469 PolarHBondContact O-N 3.07Å; A466-M469 PolarHBondContact O-N 2.77Å; M469-C472 PolarHBondContact O-N 3.16Å; M469-K473 WeakPolarHBondContact O-CB 3.44Å; M469-K473 WeakPolarHBondContact O-CG 3.49Å; M469-K473 PolarHBondContact O-N 2.9Å
470	I	90.9	Very high	91.2	Very high	23 Å²	23	43.9 Å²	43.9	12%	0.118	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-46.5	177.2	-68.9	166.4	0	0	0	110.7	Y376 T436 A466 A467 S468 C472 K473 L474 M628	Y376-I470 WeakPolarHBondContact OH-CD1 3.37Å; T436-I470 HydrophobicContact CG2-CB 4.41Å; T436-I470 HydrophobicContact CG2-CG2 3.78Å; A466-I470 VanDerWaalsContact O-CG1 3.31Å; A466-I470 WeakPolarHBondContact O-CG1 3.3Å; A466-I470 PolarHBondContact O-N 3.22Å; A467-I470 PolarHBondContact O-N 2.83Å; S468-I470 PolarHBondContact O-N 2.77Å; I470-C472 VanDerWaalsContact C-N 3.3Å; I470-C472 PolarHBondContact O-N 3.41Å; I470-K473 PolarHBondContact O-N 2.88Å; I470-L474 HydrophobicContact CG2-CD1 3.88Å; I470-L474 WeakPolarHBondContact O-CB 3.27Å; I470-L474 WeakPolarHBondContact O-CG 3.19Å; I470-L474 PolarHBondContact O-N 3.14Å; I470-M628 HydrophobicContact CG1-CE 4.45Å
471	L	94.2	Very high	90.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-37.6	177.4	-71.9	177.8	0	0	0	112	T436 L439 L440 L443 A467 S468 L474 G475 A476 V477 P501	T436-L471 HydrophobicContact CG2-CD2 3.61Å; T436-L471 HydrophobicContact CG2-CG 3.88Å; L439-L471 HydrophobicContact CB-CD1 4Å; L439-L471 HydrophobicContact CD2-CD1 3.84Å; L439-L471 HydrophobicContact CG-CD1 3.8Å; L440-L471 HydrophobicContact CB-CD1 4.13Å; L440-L471 HydrophobicContact CB-CD2 4.06Å; L440-L471 HydrophobicContact CD1-CD2 4.49Å; L440-L471 HydrophobicContact CD2-CD2 4.41Å; L443-L471 HydrophobicContact CD1-CD1 4.45Å; A467-L471 WeakPolarHBondContact O-CG 3.29Å; A467-L471 PolarHBondContact O-N 3.48Å; S468-L471 PolarHBondContact O-N 3.38Å; L471-L474 HydrophobicContact CD2-CD1 4.44Å; L471-L474 PolarHBondContact O-N 2.9Å; L471-G475 PolarHBondContact O-N 3.45Å; L471-G475 VanDerWaalsContact O-N 3.14Å; L471-A476 HydrophobicContact CB-CB 4.31Å; L471-A476 HydrophobicContact CD2-CB 4.01Å; L471-A476 PolarHBondContact O-N 2.79Å; L471-V477 HydrophobicContact CB-CB 4.49Å; L471-V477 HydrophobicContact CB-CG1 4.11Å; L471-V477 HydrophobicContact CB-CG2 3.6Å; L471-V477 HydrophobicContact CD1-CG1 4.3Å; L471-P501 HydrophobicContact CD2-CB 4.33Å; L471-P501 HydrophobicContact CD2-CG 4.44Å
472	C	93	Very high	90	Very high	47 Å²	47	49.3 Å²	49.3	32%	0.318	26%	0.264	S	S	.	.	H	α-helix	trans	-64.3	-46.9	175.4	-171.1	0	0	0	0	110.9	S468 M469 I470 L474 G475 V477 F479	S468-C472 WeakPolarHBondContact O-CB 3.49Å; S468-C472 PolarHBondContact O-N 2.87Å; M469-C472 PolarHBondContact O-N 3.16Å; I470-C472 VanDerWaalsContact C-N 3.3Å; I470-C472 PolarHBondContact O-N 3.41Å; C472-L474 VanDerWaalsContact C-N 3.3Å; C472-L474 PolarHBondContact O-N 3.04Å; C472-G475 WeakPolarHBondContact O-CA 3.41Å; C472-G475 PolarHBondContact O-N 3.27Å; C472-V477 HydrophobicContact CB-CG2 4.19Å; C472-F479 HydrophobicContact CB-CE2 4.18Å
473	K	90.6	Very high	89.4	Confident	55 Å²	55	46 Å²	46	24%	0.239	26%	0.263	C	S	.	.	H	α-helix	trans	-63.4	-33.3	177.1	-73.5	177.1	162.4	-147.4	0	112.6	M469 I470 G475 F627 K695 V696 V697	M469-K473 WeakPolarHBondContact O-CB 3.44Å; M469-K473 WeakPolarHBondContact O-CG 3.49Å; M469-K473 PolarHBondContact O-N 2.9Å; I470-K473 PolarHBondContact O-N 2.88Å; K473-G475 PolarHBondContact O-N 3.31Å; K473-F627 HydrophobicContact CB-CE2 3.69Å; K473-F627 HydrophobicContact CB-CZ 3.53Å; K473-F627 HydrophobicContact CD-CE2 4.18Å; K473-F627 HydrophobicContact CG-CE2 4.47Å; K473-K695 WeakPolarHBondContact CD-O 3.16Å; K473-K695 WeakPolarHBondContact CE-O 3.49Å; K473-K695 PolarHBondContact NZ-O 2.81Å; K473-V696 PolarHBondContact NZ-O 2.8Å; K473-V697 PolarHBondContact NZ-OXT 3.35Å
474	L	93.4	Very high	89.1	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-69	-20.9	170.9	-74.4	164.3	0	0	0	112.9	I470 L471 C472 M494 P501 R505 F627	I470-L474 HydrophobicContact CG2-CD1 3.88Å; I470-L474 WeakPolarHBondContact O-CB 3.27Å; I470-L474 WeakPolarHBondContact O-CG 3.19Å; I470-L474 PolarHBondContact O-N 3.14Å; L471-L474 HydrophobicContact CD2-CD1 4.44Å; L471-L474 PolarHBondContact O-N 2.9Å; C472-L474 VanDerWaalsContact C-N 3.3Å; C472-L474 PolarHBondContact O-N 3.04Å; L474-M494 HydrophobicContact CB-CE 4.11Å; L474-M494 HydrophobicContact CD1-CE 4.21Å; L474-P501 HydrophobicContact CD1-CB 3.92Å; L474-R505 HydrophobicContact CD2-CB 3.74Å; L474-R505 HydrophobicContact CD2-CG 3.78Å; L474-R505 WeakPolarHBondContact O-CD 3.46Å; L474-R505 PolarHBondContact O-NE 3.48Å; L474-F627 HydrophobicContact CD2-CE1 3.65Å; L474-F627 HydrophobicContact CD2-CZ 4.41Å; L474-F627 HydrophobicContact CG-CE1 3.97Å; L474-F627 HydrophobicContact CG-CZ 4.25Å
475	G	94.3	Very high	89	Confident	26 Å²	26	48.1 Å²	48.1	27%	0.268	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	13.9	-173.3	0	0	0	0	0	113.7	L471 C472 K473 T488	L471-G475 PolarHBondContact O-N 3.45Å; L471-G475 VanDerWaalsContact O-N 3.14Å; C472-G475 WeakPolarHBondContact O-CA 3.41Å; C472-G475 PolarHBondContact O-N 3.27Å; K473-G475 PolarHBondContact O-N 3.31Å; G475-T488 PolarHBondContact O-OG1 3.32Å
476	A	95.8	Very high	89.1	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-74.9	-29.2	179.5	0	0	0	0	0	112.2	L440 L471 T488 G491 M494	L440-A476 HydrophobicContact CD1-CB 4.21Å; L471-A476 HydrophobicContact CB-CB 4.31Å; L471-A476 HydrophobicContact CD2-CB 4.01Å; L471-A476 PolarHBondContact O-N 2.79Å; A476-T488 PolarHBondContact O-N 3.44Å; A476-T488 PolarHBondContact O-OG1 3.35Å; A476-T488 VanDerWaalsContact O-OG1 3.09Å; A476-G491 WeakPolarHBondContact O-CA 3.27Å; A476-M494 HydrophobicContact CB-CE 3.92Å; A476-M494 HydrophobicContact CB-SD 3.84Å
477	V	95	Very high	89.4	Confident	1 Å²	1	50 Å²	50	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	158.4	-178.3	-54.8	0	0	0	0	110.6	L443 L471 C472 L485 Q486	L443-V477 HydrophobicContact CD1-CG1 3.45Å; L443-V477 VanDerWaalsContact CD1-CG1 3.45Å; L471-V477 HydrophobicContact CB-CB 4.49Å; L471-V477 HydrophobicContact CB-CG1 4.11Å; L471-V477 HydrophobicContact CB-CG2 3.6Å; L471-V477 HydrophobicContact CD1-CG1 4.3Å; C472-V477 HydrophobicContact CB-CG2 4.19Å; V477-L485 HydrophobicContact CB-CD2 4.37Å; V477-L485 HydrophobicContact CG2-CD2 3.9Å; V477-Q486 CarbonylContact C-O 3.38Å; V477-Q486 VanDerWaalsContact CA-O 3.24Å; V477-Q486 WeakPolarHBondContact CA-O 3.11Å
478	T	93.3	Very high	89.6	Confident	64 Å²	64	51.5 Å²	51.5	39%	0.393	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	158.4	167.9	48.4	0	0	0	0	109.3	Q486 T488	T478-Q486 PolarHBondContact N-O 3.46Å; T478-Q486 PolarHBondContact O-N 2.95Å; T478-T488 HydrophobicContact CG2-CG2 3.85Å
479	F	87.5	Confident	89.7	Confident	113 Å²	113	59.8 Å²	59.8	50%	0.496	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	125.1	170	-67.9	-83.5	0	0	0	109.3	C472 L485	C472-F479 HydrophobicContact CB-CE2 4.18Å; F479-L485 HydrophobicContact CD1-CD2 3.8Å; F479-L485 HydrophobicContact CE1-CD2 3.47Å; F479-L485 VanDerWaalsContact CE1-CD2 3.47Å; F479-L485 HydrophobicContact CE1-CG 4.44Å; F479-L485 HydrophobicContact CE2-CD2 4.48Å; F479-L485 HydrophobicContact CG-CD2 4.44Å; F479-L485 HydrophobicContact CZ-CD2 3.86Å
480	A	83.6	Confident	90	Very high	10 Å²	10	56.9 Å²	56.9	8%	0.083	31%	0.31	C	S	.	.			trans	-68.1	160.5	168.7	0	0	0	0	0	110.1	E482 G483 H484	A480-E482 PolarHBondContact O-N 3.15Å; A480-E482 VanDerWaalsContact O-N 3.11Å; A480-G483 PolarHBondContact O-N 3.27Å; A480-H484 VanDerWaalsContact CB-CE1 3.4Å; A480-H484 WeakPolarHBondContact CB-CE1 2.91Å; A480-H484 WeakPolarHBondContact CB-NE2 3.49Å; A480-H484 WeakPolarHBondContact CB-O 3.4Å; A480-H484 PolarHBondContact N-O 2.7Å
481	P	77	Confident	90.3	Very high	140 Å²	140	55.8 Å²	55.8	91%	0.909	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-30	176.8	-24.5	34.1	0	0	0	113.4	G483	P481-G483 PolarHBondContact O-N 3.36Å
482	E	76	Confident	90.3	Very high	163 Å²	163	62.7 Å²	62.7	76%	0.762	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-1.3	179.4	-63.3	153.5	-153.6	0	0	113.3	A480 H484	A480-E482 PolarHBondContact O-N 3.15Å; A480-E482 VanDerWaalsContact O-N 3.11Å; E482-H484 IonicContact OE2-CE1 3.7Å; E482-H484 PolarHBondContact OE2-CE1 3.33Å; E482-H484 IonicContact OE2-ND1 3.87Å; E482-H484 PolarHBondContact OE2-ND1 3.09Å
483	G	77.5	Confident	90.5	Very high	52 Å²	52	62 Å²	62	54%	0.536	33%	0.329	S	S	.	.	S	Bend	trans	89.5	-9.1	177.3	0	0	0	0	0	115.7	A480 P481	A480-G483 PolarHBondContact O-N 3.27Å; P481-G483 PolarHBondContact O-N 3.36Å
484	H	83.8	Confident	90.8	Very high	61 Å²	61	59.4 Å²	59.4	28%	0.282	32%	0.318	S	S	.	.			trans	-79.1	158.2	176.7	69.9	-93.4	0	0	0	112.3	A480 E482	A480-H484 VanDerWaalsContact CB-CE1 3.4Å; A480-H484 WeakPolarHBondContact CB-CE1 2.91Å; A480-H484 WeakPolarHBondContact CB-NE2 3.49Å; A480-H484 WeakPolarHBondContact CB-O 3.4Å; A480-H484 PolarHBondContact N-O 2.7Å; E482-H484 IonicContact OE2-CE1 3.7Å; E482-H484 PolarHBondContact OE2-CE1 3.33Å; E482-H484 IonicContact OE2-ND1 3.87Å; E482-H484 PolarHBondContact OE2-ND1 3.09Å
485	L	89.8	Confident	90.9	Very high	14 Å²	14	59.7 Å²	59.7	7%	0.073	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	132.6	178.5	-69.3	175.3	0	0	0	111	L439 L443 V477 F479	L439-L485 HydrophobicContact CD1-CD1 4.23Å; L439-L485 HydrophobicContact CD2-CD1 4.01Å; L439-L485 HydrophobicContact CG-CD1 4.35Å; L443-L485 HydrophobicContact CD1-CB 4.31Å; L443-L485 HydrophobicContact CD1-CD1 4.2Å; L443-L485 HydrophobicContact CD2-CB 3.77Å; V477-L485 HydrophobicContact CB-CD2 4.37Å; V477-L485 HydrophobicContact CG2-CD2 3.9Å; F479-L485 HydrophobicContact CD1-CD2 3.8Å; F479-L485 HydrophobicContact CE1-CD2 3.47Å; F479-L485 VanDerWaalsContact CE1-CD2 3.47Å; F479-L485 HydrophobicContact CE1-CG 4.44Å; F479-L485 HydrophobicContact CE2-CD2 4.48Å; F479-L485 HydrophobicContact CG-CD2 4.44Å; F479-L485 HydrophobicContact CZ-CD2 3.86Å
486	Q	92.1	Very high	90.8	Very high	111 Å²	111	59.6 Å²	59.6	52%	0.519	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.4	174.1	-166.8	175	31.1	0	0	110.1	V477 T478 T488	V477-Q486 CarbonylContact C-O 3.38Å; V477-Q486 VanDerWaalsContact CA-O 3.24Å; V477-Q486 WeakPolarHBondContact CA-O 3.11Å; T478-Q486 PolarHBondContact N-O 3.46Å; T478-Q486 PolarHBondContact O-N 2.95Å; Q486-T488 PolarHBondContact O-N 3.22Å
487	L	94.6	Very high	90.8	Very high	48 Å²	48	59.8 Å²	59.8	25%	0.251	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	125.4	177.2	-175.6	68.8	0	0	0	110.5	L440 L443 V444 K492	L440-L487 HydrophobicContact CD1-CD1 3.62Å; L443-L487 HydrophobicContact CB-CD1 4.4Å; V444-L487 HydrophobicContact CB-CD2 4.47Å; V444-L487 HydrophobicContact CG2-CD2 3.71Å; L487-K492 HydrophobicContact CD2-CB 4.08Å; L487-K492 HydrophobicContact CG-CB 4.5Å
488	T	96.3	Very high	90.5	Very high	32 Å²	32	60.4 Å²	60.4	20%	0.196	32%	0.322	C	S	.	.			trans	-82.2	164.8	176.1	74	0	0	0	0	111.3	G475 A476 T478 Q486 L490 G491 K492	G475-T488 PolarHBondContact O-OG1 3.32Å; A476-T488 PolarHBondContact O-N 3.44Å; A476-T488 PolarHBondContact O-OG1 3.35Å; A476-T488 VanDerWaalsContact O-OG1 3.09Å; T478-T488 HydrophobicContact CG2-CG2 3.85Å; Q486-T488 PolarHBondContact O-N 3.22Å; T488-L490 PolarHBondContact O-N 2.81Å; T488-L490 PolarHBondContact OG1-N 3.38Å; T488-G491 PolarHBondContact O-N 2.78Å; T488-G491 VanDerWaalsContact O-N 3.1Å; T488-G491 PolarHBondContact OG1-N 2.85Å; T488-K492 PolarHBondContact O-N 3.27Å
489	K	95.5	Very high	90.5	Very high	185 Å²	185	58 Å²	58	80%	0.804	31%	0.307	S	S	*	.	H	α-helix	trans	-56.2	-38.8	169.5	-174.6	177.2	-179.8	179.4	0	111.5	K492 T493	K489-K492 PolarHBondContact O-N 3.23Å; K489-T493 PolarHBondContact O-N 3.24Å; K489-T493 VanDerWaalsContact O-N 3.12Å; K489-T493 PolarHBondContact O-OG1 3.06Å; K489-T493 VanDerWaalsContact O-OG1 3.07Å
490	L	96.1	Very high	90.7	Very high	45 Å²	45	54.7 Å²	54.7	24%	0.236	30%	0.295	C	S	.	.	H	α-helix	trans	-64.5	-44.1	175.4	175.9	62.8	0	0	0	111.2	T488 K492 T493 M494 I508	T488-L490 PolarHBondContact O-N 2.81Å; T488-L490 PolarHBondContact OG1-N 3.38Å; L490-K492 PolarHBondContact O-N 3.36Å; L490-T493 WeakPolarHBondContact O-CB 3.13Å; L490-T493 PolarHBondContact O-N 3.31Å; L490-M494 HydrophobicContact CD1-CG 4.36Å; L490-M494 HydrophobicContact CD1-SD 4.4Å; L490-M494 HydrophobicContact CG-CG 4.46Å; L490-M494 HydrophobicContact CG-SD 3.99Å; L490-M494 VanDerWaalsContact O-CG 3.29Å; L490-M494 WeakPolarHBondContact O-CG 3.33Å; L490-M494 PolarHBondContact O-N 3.47Å; L490-I508 HydrophobicContact CD1-CD1 3.8Å; L490-I508 HydrophobicContact CD1-CG2 3.91Å
491	G	96.6	Very high	91.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.5	-42.1	176.3	0	0	0	0	0	113.1	A476 T488 T493 M494 A495	A476-G491 WeakPolarHBondContact O-CA 3.27Å; T488-G491 PolarHBondContact O-N 2.78Å; T488-G491 VanDerWaalsContact O-N 3.1Å; T488-G491 PolarHBondContact OG1-N 2.85Å; G491-T493 VanDerWaalsContact C-N 3.34Å; G491-T493 PolarHBondContact O-N 3.39Å; G491-M494 WeakPolarHBondContact O-CB 3Å; G491-M494 PolarHBondContact O-N 3.43Å; G491-A495 WeakPolarHBondContact O-CB 3.34Å; G491-A495 PolarHBondContact O-N 3.24Å
492	K	95.3	Very high	92.1	Very high	145 Å²	145	49 Å²	49	63%	0.63	25%	0.254	S	S	*	.	H	α-helix	trans	-61.2	-42.6	174.3	-169.1	172	-176.7	171.8	0	111.8	L487 T488 K489 L490 A496	L487-K492 HydrophobicContact CD2-CB 4.08Å; L487-K492 HydrophobicContact CG-CB 4.5Å; T488-K492 PolarHBondContact O-N 3.27Å; K489-K492 PolarHBondContact O-N 3.23Å; L490-K492 PolarHBondContact O-N 3.36Å; K492-A496 PolarHBondContact O-N 3.19Å
493	T	96.2	Very high	93.1	Very high	33 Å²	33	42.3 Å²	42.3	20%	0.202	22%	0.223	C	C	.	.	H	α-helix	trans	-64.3	-40.5	174.1	-57.7	0	0	0	0	111.9	K489 L490 G491 A496 F497 I508 L604 I606	K489-T493 PolarHBondContact O-N 3.24Å; K489-T493 VanDerWaalsContact O-N 3.12Å; K489-T493 PolarHBondContact O-OG1 3.06Å; K489-T493 VanDerWaalsContact O-OG1 3.07Å; L490-T493 WeakPolarHBondContact O-CB 3.13Å; L490-T493 PolarHBondContact O-N 3.31Å; G491-T493 VanDerWaalsContact C-N 3.34Å; G491-T493 PolarHBondContact O-N 3.39Å; T493-A496 PolarHBondContact O-N 3.32Å; T493-F497 HydrophobicContact CG2-CE2 4.44Å; T493-F497 VanDerWaalsContact O-CD2 3.29Å; T493-F497 WeakPolarHBondContact O-CD2 3.5Å; T493-F497 WeakPolarHBondContact O-CE2 3.3Å; T493-I508 HydrophobicContact CG2-CD1 3.86Å; T493-I508 HydrophobicContact CG2-CG1 4.31Å; T493-L604 HydrophobicContact CG2-CB 4.3Å; T493-L604 HydrophobicContact CG2-CD1 3.98Å; T493-L604 HydrophobicContact CG2-CD2 4.3Å; T493-L604 HydrophobicContact CG2-CG 4.42Å; T493-I606 HydrophobicContact CG2-CD1 4.31Å
494	M	97.4	Very high	94	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-46	177.4	-75	171.4	58.6	0	0	111.9	L440 L474 A476 L490 G491 A496 F497 P501 S504 R505 I508	L440-M494 HydrophobicContact CD2-CB 4.29Å; L474-M494 HydrophobicContact CB-CE 4.11Å; L474-M494 HydrophobicContact CD1-CE 4.21Å; A476-M494 HydrophobicContact CB-CE 3.92Å; A476-M494 HydrophobicContact CB-SD 3.84Å; L490-M494 HydrophobicContact CD1-CG 4.36Å; L490-M494 HydrophobicContact CD1-SD 4.4Å; L490-M494 HydrophobicContact CG-CG 4.46Å; L490-M494 HydrophobicContact CG-SD 3.99Å; L490-M494 VanDerWaalsContact O-CG 3.29Å; L490-M494 WeakPolarHBondContact O-CG 3.33Å; L490-M494 PolarHBondContact O-N 3.47Å; G491-M494 WeakPolarHBondContact O-CB 3Å; G491-M494 PolarHBondContact O-N 3.43Å; M494-A496 PolarHBondContact O-N 3.18Å; M494-F497 PolarHBondContact O-N 3.13Å; M494-F497 VanDerWaalsContact O-N 3.14Å; M494-P501 HydrophobicContact CE-CB 3.98Å; M494-P501 WeakPolarHBondContact CE-O 2.93Å; M494-S504 VanDerWaalsContact CB-OG 3.31Å; M494-S504 WeakPolarHBondContact CB-OG 3.23Å; M494-S504 WeakPolarHBondContact CG-OG 3.26Å; M494-S504 WeakPolarHBondContact O-CB 3.46Å; M494-R505 HydrophobicContact CE-CB 4.03Å; M494-R505 HydrophobicContact SD-CB 4.35Å; M494-I508 HydrophobicContact CB-CD1 4.45Å; M494-I508 HydrophobicContact CG-CD1 3.51Å
495	A	95	Very high	94.7	Very high	10 Å²	10	38.5 Å²	38.5	8%	0.083	19%	0.19	C	C	.	.	H	α-helix	trans	-65.7	-23	-177.9	0	0	0	0	0	113.9	M178 L440 V444 G491 F497	M178-A495 HydrophobicContact CE-CB 3.91Å; L440-A495 HydrophobicContact CD1-CB 4.39Å; L440-A495 HydrophobicContact CD2-CB 3.99Å; L440-A495 HydrophobicContact CG-CB 3.9Å; V444-A495 HydrophobicContact CG2-CB 3.54Å; G491-A495 WeakPolarHBondContact O-CB 3.34Å; G491-A495 PolarHBondContact O-N 3.24Å; A495-F497 PolarHBondContact O-N 2.76Å
496	A	93.1	Very high	95	Very high	23 Å²	23	37.9 Å²	37.9	19%	0.19	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.2	175.8	0	0	0	0	0	112.7	K492 T493 M494 L604	K492-A496 PolarHBondContact O-N 3.19Å; T493-A496 PolarHBondContact O-N 3.32Å; M494-A496 PolarHBondContact O-N 3.18Å; A496-L604 HydrophobicContact CB-CD1 3.96Å; A496-L604 HydrophobicContact CB-CD2 4.12Å
497	F	94	Very high	95.3	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.018	16%	0.161	C	C	.	.	S	Bend	trans	-81	136.4	175.3	-66.5	-88.3	0	0	0	111.2	T493 M494 A495 V499 I507 I508 L597 N600 L604 I606	T493-F497 HydrophobicContact CG2-CE2 4.44Å; T493-F497 VanDerWaalsContact O-CD2 3.29Å; T493-F497 WeakPolarHBondContact O-CD2 3.5Å; T493-F497 WeakPolarHBondContact O-CE2 3.3Å; M494-F497 PolarHBondContact O-N 3.13Å; M494-F497 VanDerWaalsContact O-N 3.14Å; A495-F497 PolarHBondContact O-N 2.76Å; F497-V499 HydrophobicContact CB-CG2 3.76Å; F497-V499 PolarHBondContact O-N 3.34Å; F497-I507 HydrophobicContact CE1-CG2 4.05Å; F497-I507 HydrophobicContact CZ-CG2 4.03Å; F497-I508 HydrophobicContact CE2-CD1 4.33Å; F497-I508 HydrophobicContact CE2-CG1 4.16Å; F497-L597 HydrophobicContact CD1-CD2 3.94Å; F497-N600 HydrophobicContact CD1-CB 3.86Å; F497-N600 HydrophobicContact CE1-CB 3.64Å; F497-N600 HydrophobicContact CZ-CB 4.45Å; F497-L604 HydrophobicContact CD2-CD1 4.11Å; F497-L604 HydrophobicContact CE1-CD1 4.36Å; F497-L604 HydrophobicContact CE2-CD1 3.44Å; F497-L604 VanDerWaalsContact CE2-CD1 3.44Å; F497-L604 HydrophobicContact CZ-CD1 3.6Å; F497-I606 HydrophobicContact CE2-CD1 4.09Å; F497-I606 HydrophobicContact CZ-CD1 3.73Å
498	P	90.7	Very high	95.4	Very high	15 Å²	15	31.3 Å²	31.3	10%	0.097	16%	0.155	C	C	.	.	S	Bend	trans	-81.2	59.6	172.6	36.1	-36.6	0	0	0	110.3	R154 F155 R175 N600	R154-P498 HydrophobicContact CG-CB 4.42Å; R154-P498 PolarHBondContact NE-O 3.26Å; R154-P498 PolarHBondContact NH2-O 3.48Å; F155-P498 HydrophobicContact CD1-CG 4.39Å; F155-P498 HydrophobicContact CE1-CG 3.75Å; F155-P498 HydrophobicContact CZ-CG 4.4Å; R175-P498 VanDerWaalsContact CZ-CB 3.49Å; R175-P498 VanDerWaalsContact NH2-CA 3.26Å; P498-N600 VanDerWaalsContact CD-ND2 3.29Å; P498-N600 WeakPolarHBondContact CD-ND2 3.5Å
499	V	92.6	Very high	95.4	Very high	12 Å²	12	29.9 Å²	29.9	7%	0.073	15%	0.146	C	C	.	.	S	Bend	trans	-146.8	165.1	178.1	-59.2	0	0	0	0	110.7	R154 F155 F497 F503 V523 L597	R154-V499 VanDerWaalsContact NH2-CA 3.33Å; F155-V499 HydrophobicContact CZ-CG1 4.29Å; F497-V499 HydrophobicContact CB-CG2 3.76Å; F497-V499 PolarHBondContact O-N 3.34Å; V499-F503 HydrophobicContact CB-CB 3.98Å; V499-F503 HydrophobicContact CB-CD2 4.21Å; V499-F503 HydrophobicContact CG2-CB 3.74Å; V499-V523 HydrophobicContact CG1-CG1 4.09Å; V499-L597 HydrophobicContact CG1-CD2 3.87Å
500	D	92.2	Very high	95.4	Very high	45 Å²	45	21 Å²	21	24%	0.241	11%	0.108	C	C	.	.			trans	-54.4	140.5	172.3	-171.5	-68.4	0	0	0	110.7	K502 F503 S504	D500-K502 HydrophobicContact CB-CG 4.31Å; D500-K502 PolarHBondContact O-N 3.21Å; D500-K502 VanDerWaalsContact OD1-CG 3.31Å; D500-K502 WeakPolarHBondContact OD1-CG 3.46Å; D500-K502 PolarHBondContact OD1-N 3.05Å; D500-F503 HydrophobicContact CB-CD2 3.74Å; D500-F503 HydrophobicContact CB-CE2 4.11Å; D500-F503 HydrophobicContact CB-CG 4.38Å; D500-F503 WeakPolarHBondContact O-CA 3.49Å; D500-F503 WeakPolarHBondContact O-CB 3.27Å; D500-F503 PolarHBondContact O-N 3.01Å; D500-S504 PolarHBondContact O-N 3.38Å; D500-S504 VanDerWaalsContact O-N 3.09Å
501	P	95.5	Very high	95.4	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.019	10%	0.099	C	C	.	.	H	α-helix	trans	-46.1	-37.8	177.1	-33.7	39	0	0	0	114.1	T436 T437 L440 L471 L474 M494 F503 S504 R505	T436-P501 HydrophobicContact CG2-CB 4.18Å; T436-P501 HydrophobicContact CG2-CG 4.04Å; T437-P501 WeakPolarHBondContact OG1-CD 3.3Å; L440-P501 HydrophobicContact CD2-CB 4.4Å; L440-P501 HydrophobicContact CD2-CG 3.99Å; L471-P501 HydrophobicContact CD2-CB 4.33Å; L471-P501 HydrophobicContact CD2-CG 4.44Å; L474-P501 HydrophobicContact CD1-CB 3.92Å; M494-P501 HydrophobicContact CE-CB 3.98Å; M494-P501 WeakPolarHBondContact CE-O 2.93Å; P501-F503 VanDerWaalsContact C-N 3.33Å; P501-F503 PolarHBondContact O-N 3.14Å; P501-S504 WeakPolarHBondContact CA-OG 3.23Å; P501-S504 PolarHBondContact O-N 3.41Å; P501-S504 PolarHBondContact O-OG 2.86Å; P501-R505 WeakPolarHBondContact O-CB 3.36Å; P501-R505 PolarHBondContact O-N 3.13Å
502	K	94.3	Very high	95.2	Very high	28 Å²	28	23.7 Å²	23.7	12%	0.122	13%	0.131	C	C	.	.	H	α-helix	trans	-60.6	-41.6	177.1	79.8	-173.9	-174.6	171.9	0	112.5	D500 A506 G625 N668	D500-K502 HydrophobicContact CB-CG 4.31Å; D500-K502 PolarHBondContact O-N 3.21Å; D500-K502 VanDerWaalsContact OD1-CG 3.31Å; D500-K502 WeakPolarHBondContact OD1-CG 3.46Å; D500-K502 PolarHBondContact OD1-N 3.05Å; K502-A506 PolarHBondContact O-N 3.16Å; K502-A506 VanDerWaalsContact O-N 3.11Å; K502-G625 WeakPolarHBondContact CB-O 3.48Å; K502-G625 WeakPolarHBondContact O-CA 3.3Å; K502-N668 PolarHBondContact NZ-O 2.96Å; K502-N668 PolarHBondContact NZ-OD1 3.15Å
503	F	96.3	Very high	95.2	Very high	22 Å²	22	19.6 Å²	19.6	10%	0.096	11%	0.112	C	C	.	.	H	α-helix	trans	-71.7	-41.8	179	-62	-35.1	0	0	0	111.4	V499 D500 P501 R505 A506 I507 V523 L526 F626	V499-F503 HydrophobicContact CB-CB 3.98Å; V499-F503 HydrophobicContact CB-CD2 4.21Å; V499-F503 HydrophobicContact CG2-CB 3.74Å; D500-F503 HydrophobicContact CB-CD2 3.74Å; D500-F503 HydrophobicContact CB-CE2 4.11Å; D500-F503 HydrophobicContact CB-CG 4.38Å; D500-F503 WeakPolarHBondContact O-CA 3.49Å; D500-F503 WeakPolarHBondContact O-CB 3.27Å; D500-F503 PolarHBondContact O-N 3.01Å; P501-F503 VanDerWaalsContact C-N 3.33Å; P501-F503 PolarHBondContact O-N 3.14Å; F503-R505 VanDerWaalsContact C-N 3.29Å; F503-R505 PolarHBondContact O-N 3.32Å; F503-A506 PolarHBondContact O-N 2.93Å; F503-I507 WeakPolarHBondContact O-CG1 3.4Å; F503-I507 PolarHBondContact O-N 2.86Å; F503-V523 HydrophobicContact CB-CG1 3.75Å; F503-V523 HydrophobicContact CB-CG2 3.93Å; F503-V523 HydrophobicContact CD1-CG2 4.15Å; F503-V523 HydrophobicContact CD2-CG1 4.31Å; F503-V523 HydrophobicContact CG-CG1 4.01Å; F503-V523 HydrophobicContact CG-CG2 4.22Å; F503-L526 HydrophobicContact CE1-CD1 3.85Å; F503-L526 HydrophobicContact CZ-CB 4.43Å; F503-L526 HydrophobicContact CZ-CD1 4.28Å; F503-F626 AromaticContact CD1-CE2 3.95Å; F503-F626 HydrophobicContact CD1-CE2 3.95Å; F503-F626 AromaticContact CD1-CZ 3.65Å; F503-F626 HydrophobicContact CD1-CZ 3.65Å; F503-F626 AromaticContact CE1-CE1 3.98Å; F503-F626 HydrophobicContact CE1-CE1 3.98Å; F503-F626 HydrophobicContact CE1-CE2 4.18Å; F503-F626 AromaticContact CE1-CZ 3.41Å; F503-F626 HydrophobicContact CE1-CZ 3.41Å; F503-F626 VanDerWaalsContact CE1-CZ 3.41Å
504	S	97	Very high	95.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.1	-40.5	176.7	72.4	0	0	0	0	111.3	M494 D500 P501 I507 I508	M494-S504 VanDerWaalsContact CB-OG 3.31Å; M494-S504 WeakPolarHBondContact CB-OG 3.23Å; M494-S504 WeakPolarHBondContact CG-OG 3.26Å; M494-S504 WeakPolarHBondContact O-CB 3.46Å; D500-S504 PolarHBondContact O-N 3.38Å; D500-S504 VanDerWaalsContact O-N 3.09Å; P501-S504 WeakPolarHBondContact CA-OG 3.23Å; P501-S504 PolarHBondContact O-N 3.41Å; P501-S504 PolarHBondContact O-OG 2.86Å; S504-I507 PolarHBondContact O-N 3.39Å; S504-I508 WeakPolarHBondContact O-CD1 3.09Å; S504-I508 VanDerWaalsContact O-CG1 3.29Å; S504-I508 WeakPolarHBondContact O-CG1 3.24Å; S504-I508 PolarHBondContact O-N 3.01Å; S504-I508 VanDerWaalsContact O-N 3.07Å
505	R	97	Very high	95.1	Very high	33 Å²	33	24.1 Å²	24.1	13%	0.125	13%	0.131	C	C	.	.	H	α-helix	trans	-65.8	-42.4	178.1	-173.6	63.4	179	108.9	-8.9	112.2	L474 M494 P501 F503 I508 A509 Y624	L474-R505 HydrophobicContact CD2-CB 3.74Å; L474-R505 HydrophobicContact CD2-CG 3.78Å; L474-R505 WeakPolarHBondContact O-CD 3.46Å; L474-R505 PolarHBondContact O-NE 3.48Å; M494-R505 HydrophobicContact CE-CB 4.03Å; M494-R505 HydrophobicContact SD-CB 4.35Å; P501-R505 WeakPolarHBondContact O-CB 3.36Å; P501-R505 PolarHBondContact O-N 3.13Å; F503-R505 VanDerWaalsContact C-N 3.29Å; F503-R505 PolarHBondContact O-N 3.32Å; R505-I508 PolarHBondContact O-N 3.07Å; R505-A509 WeakPolarHBondContact O-CB 3.42Å; R505-A509 PolarHBondContact O-N 3.28Å; R505-Y624 VanDerWaalsContact CG-O 3.28Å; R505-Y624 WeakPolarHBondContact CG-O 3.25Å
506	A	96.9	Very high	95.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62	-43.9	175.7	0	0	0	0	0	111.5	K502 F503 I508 A509 G510 V519 L622 F626	K502-A506 PolarHBondContact O-N 3.16Å; K502-A506 VanDerWaalsContact O-N 3.11Å; F503-A506 PolarHBondContact O-N 2.93Å; A506-I508 PolarHBondContact O-N 3.01Å; A506-A509 PolarHBondContact O-N 2.95Å; A506-G510 PolarHBondContact O-N 2.97Å; A506-V519 HydrophobicContact CB-CG1 4.01Å; A506-L622 HydrophobicContact CB-CD2 4.34Å; A506-F626 HydrophobicContact CB-CE2 4.39Å
507	I	97.9	Very high	95.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.4	-46.6	177.3	-70.7	166.4	0	0	0	111	F497 F503 S504 A509 G510 G511 V519 I520 V523 L597 C601	F497-I507 HydrophobicContact CE1-CG2 4.05Å; F497-I507 HydrophobicContact CZ-CG2 4.03Å; F503-I507 WeakPolarHBondContact O-CG1 3.4Å; F503-I507 PolarHBondContact O-N 2.86Å; S504-I507 PolarHBondContact O-N 3.39Å; I507-A509 PolarHBondContact O-N 3.35Å; I507-G510 PolarHBondContact O-N 3.43Å; I507-G510 VanDerWaalsContact O-N 3.15Å; I507-G511 PolarHBondContact O-N 3.1Å; I507-V519 HydrophobicContact CG1-CG1 4.14Å; I507-I520 HydrophobicContact CG1-CG1 4.25Å; I507-I520 HydrophobicContact CG2-CG1 3.96Å; I507-V523 HydrophobicContact CD1-CB 4.23Å; I507-V523 HydrophobicContact CD1-CG1 4.06Å; I507-V523 HydrophobicContact CD1-CG2 4.2Å; I507-V523 HydrophobicContact CG1-CG2 4.08Å; I507-L597 HydrophobicContact CD1-CD1 4.1Å; I507-L597 HydrophobicContact CD1-CD2 4.19Å; I507-C601 WeakPolarHBondContact CG2-SG 3.39Å
508	I	97.4	Very high	95.6	Very high	21 Å²	21	24.5 Å²	24.5	11%	0.108	13%	0.127	C	C	.	.	H	α-helix	trans	-61.9	-44.9	178.4	-65.5	163.8	0	0	0	110.5	L490 T493 M494 F497 S504 R505 A506 G510 G511 I606	L490-I508 HydrophobicContact CD1-CD1 3.8Å; L490-I508 HydrophobicContact CD1-CG2 3.91Å; T493-I508 HydrophobicContact CG2-CD1 3.86Å; T493-I508 HydrophobicContact CG2-CG1 4.31Å; M494-I508 HydrophobicContact CB-CD1 4.45Å; M494-I508 HydrophobicContact CG-CD1 3.51Å; F497-I508 HydrophobicContact CE2-CD1 4.33Å; F497-I508 HydrophobicContact CE2-CG1 4.16Å; S504-I508 WeakPolarHBondContact O-CD1 3.09Å; S504-I508 VanDerWaalsContact O-CG1 3.29Å; S504-I508 WeakPolarHBondContact O-CG1 3.24Å; S504-I508 PolarHBondContact O-N 3.01Å; S504-I508 VanDerWaalsContact O-N 3.07Å; R505-I508 PolarHBondContact O-N 3.07Å; A506-I508 PolarHBondContact O-N 3.01Å; I508-G510 VanDerWaalsContact C-N 3.28Å; I508-G510 PolarHBondContact O-N 2.82Å; I508-G511 PolarHBondContact O-N 3.08Å; I508-I606 HydrophobicContact CG1-CD1 3.78Å
509	A	95.9	Very high	95.9	Very high	2 Å²	2	23.8 Å²	23.8	2%	0.017	12%	0.122	C	C	.	.	H	α-helix	trans	-62.8	-35.3	175.5	0	0	0	0	0	112.1	R505 A506 I507 G511 S512 Y513 A621 Y624	R505-A509 WeakPolarHBondContact O-CB 3.42Å; R505-A509 PolarHBondContact O-N 3.28Å; A506-A509 PolarHBondContact O-N 2.95Å; I507-A509 PolarHBondContact O-N 3.35Å; A509-G511 PolarHBondContact O-N 3.23Å; A509-S512 WeakPolarHBondContact O-CB 3.38Å; A509-S512 PolarHBondContact O-N 2.93Å; A509-Y513 HydrophobicContact CB-CD2 4.45Å; A509-Y513 WeakPolarHBondContact O-CD2 3.41Å; A509-Y513 PolarHBondContact O-N 3.28Å; A509-A621 HydrophobicContact CB-CB 4.29Å; A509-Y624 HydrophobicContact CB-CD2 4.24Å; A509-Y624 HydrophobicContact CB-CG 4.01Å
510	G	96	Very high	96.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-56.7	-35.3	174.5	0	0	0	0	0	112.6	A506 I507 I508 Q514 C515 S516	A506-G510 PolarHBondContact O-N 2.97Å; I507-G510 PolarHBondContact O-N 3.43Å; I507-G510 VanDerWaalsContact O-N 3.15Å; I508-G510 VanDerWaalsContact C-N 3.28Å; I508-G510 PolarHBondContact O-N 2.82Å; G510-Q514 PolarHBondContact O-N 3.42Å; G510-Q514 VanDerWaalsContact O-N 3.09Å; G510-C515 CarbonylContact O-C 3.54Å; G510-C515 PolarHBondContact O-N 2.98Å; G510-S516 PolarHBondContact O-N 2.9Å; G510-S516 VanDerWaalsContact O-N 3.09Å
511	G	95	Very high	96.4	Very high	5 Å²	5	21.2 Å²	21.2	5%	0.052	11%	0.108	C	C	.	.	H	α-helix	trans	-62.3	-45.3	172.4	0	0	0	0	0	112.4	I507 I508 A509 Q514	I507-G511 PolarHBondContact O-N 3.1Å; I508-G511 PolarHBondContact O-N 3.08Å; A509-G511 PolarHBondContact O-N 3.23Å; G511-Q514 PolarHBondContact O-N 3.21Å
512	S	94	Very high	96.5	Very high	96 Å²	96	21.1 Å²	21.1	67%	0.671	11%	0.107	S	C	*	.	H	α-helix	trans	-67.8	-37.1	179	-56.9	0	0	0	0	113.3	A509 Q514	A509-S512 WeakPolarHBondContact O-CB 3.38Å; A509-S512 PolarHBondContact O-N 2.93Å; S512-Q514 VanDerWaalsContact C-N 3.33Å
513	Y	94	Very high	96.6	Very high	58 Å²	58	19.8 Å²	19.8	23%	0.227	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	15.9	178.5	-71	-78.9	0	0	0	113.7	A509 C515 S617 R620 A621 Y624	A509-Y513 HydrophobicContact CB-CD2 4.45Å; A509-Y513 WeakPolarHBondContact O-CD2 3.41Å; A509-Y513 PolarHBondContact O-N 3.28Å; Y513-C515 VanDerWaalsContact C-N 3.27Å; Y513-C515 PolarHBondContact O-N 3.49Å; Y513-S617 WeakPolarHBondContact O-CB 3.35Å; Y513-R620 HydrophobicContact CD1-CB 4.43Å; Y513-R620 HydrophobicContact CE1-CB 4.37Å; Y513-A621 HydrophobicContact CD2-CB 4.3Å; Y513-Y624 AromaticContact CE2-CD2 3.98Å; Y513-Y624 HydrophobicContact CE2-CD2 3.98Å; Y513-Y624 AromaticContact CE2-CE2 3.43Å; Y513-Y624 HydrophobicContact CE2-CE2 3.43Å; Y513-Y624 VanDerWaalsContact CE2-CE2 3.43Å; Y513-Y624 AromaticContact CE2-CZ 4Å; Y513-Y624 AromaticContact CZ-CE2 3.75Å; Y513-Y624 VanDerWaalsContact OH-CE2 3.26Å; Y513-Y624 WeakPolarHBondContact OH-CE2 3.21Å; Y513-Y624 PolarHBondContact OH-OH 3.02Å
514	Q	95.6	Very high	96.6	Very high	129 Å²	129	18.7 Å²	18.7	60%	0.603	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	35.4	175.1	-50.1	-175.3	-4.2	0	0	114.7	G510 G511 S512 L609 S610 C611	G510-Q514 PolarHBondContact O-N 3.42Å; G510-Q514 VanDerWaalsContact O-N 3.09Å; G511-Q514 PolarHBondContact O-N 3.21Å; S512-Q514 VanDerWaalsContact C-N 3.33Å; Q514-L609 HydrophobicContact CB-CB 4.24Å; Q514-L609 HydrophobicContact CB-CD1 4.03Å; Q514-L609 HydrophobicContact CG-CD1 3.9Å; Q514-S610 CarbonylContact O-C 3.47Å; Q514-S610 VanDerWaalsContact O-C 3.29Å; Q514-C611 PolarHBondContact O-N 3.32Å
515	C	96.6	Very high	96.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.			trans	-138.4	28.6	-178.4	59.3	0	0	0	0	112.9	G510 Y513 E517 E518 V519 L609 C611 S617 V618	G510-C515 CarbonylContact O-C 3.54Å; G510-C515 PolarHBondContact O-N 2.98Å; Y513-C515 VanDerWaalsContact C-N 3.27Å; Y513-C515 PolarHBondContact O-N 3.49Å; C515-E517 VanDerWaalsContact C-N 3.33Å; C515-E517 PolarHBondContact O-N 2.85Å; C515-E518 VanDerWaalsContact C-OE2 3.29Å; C515-E518 VanDerWaalsContact CA-OE2 3.23Å; C515-E518 WeakPolarHBondContact CA-OE2 3.24Å; C515-E518 PolarHBondContact O-N 2.76Å; C515-V519 WeakPolarHBondContact O-CG2 3.46Å; C515-V519 PolarHBondContact O-N 3.39Å; C515-L609 CarbonylContact C-O 3.57Å; C515-C611 HydrophobicContact CB-CB 3.91Å; C515-S617 PolarHBondContact SG-O 3.45Å; C515-S617 VanDerWaalsContact SG-O 3.4Å; C515-V618 HydrophobicContact CB-CG2 3.84Å
516	S	96.8	Very high	96.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.1	-35.5	-177.1	47.8	0	0	0	0	112.5	G510 E518 V519 I520 P607 L608 L609	G510-S516 PolarHBondContact O-N 2.9Å; G510-S516 VanDerWaalsContact O-N 3.09Å; S516-E518 VanDerWaalsContact C-N 3.34Å; S516-E518 PolarHBondContact O-N 2.89Å; S516-V519 PolarHBondContact O-N 2.86Å; S516-I520 VanDerWaalsContact O-CB 3.27Å; S516-I520 WeakPolarHBondContact O-CB 3.49Å; S516-I520 WeakPolarHBondContact O-CD1 3.12Å; S516-I520 WeakPolarHBondContact O-CG1 3.15Å; S516-I520 PolarHBondContact O-N 2.94Å; S516-P607 WeakPolarHBondContact CB-O 3.23Å; S516-P607 PolarHBondContact OG-O 3.39Å; S516-L608 WeakPolarHBondContact OG-CA 3.49Å; S516-L609 PolarHBondContact N-O 3.26Å; S516-L609 VanDerWaalsContact N-O 3.09Å; S516-L609 PolarHBondContact OG-N 2.73Å; S516-L609 PolarHBondContact OG-O 2.72Å
517	E	97.4	Very high	96	Very high	30 Å²	30	20 Å²	20	14%	0.14	11%	0.108	C	C	.	.	H	α-helix	trans	-63.8	-39.5	178	-70.9	-75.8	-170.8	0	0	111.5	C515 T521 R594 R598 L609	C515-E517 VanDerWaalsContact C-N 3.33Å; C515-E517 PolarHBondContact O-N 2.85Å; E517-T521 WeakPolarHBondContact O-CB 3.34Å; E517-T521 PolarHBondContact O-N 2.79Å; E517-T521 PolarHBondContact O-OG1 3.09Å; E517-R594 IonicContact OE2-CZ 3.18Å; E517-R594 IonicContact OE2-NH1 3.28Å; E517-R594 PolarHBondContact OE2-NH1 2.85Å; E517-R594 IonicContact OE2-NH2 3.73Å; E517-R594 PolarHBondContact OE2-NH2 3.35Å; E517-R598 IonicContact OE1-CZ 2.79Å; E517-R598 IonicContact OE1-NE 3.01Å; E517-R598 PolarHBondContact OE1-NE 3.29Å; E517-R598 IonicContact OE1-NH2 3.95Å; E517-L609 PolarHBondContact N-O 2.84Å
518	E	97.6	Very high	95.5	Very high	16 Å²	16	20.6 Å²	20.6	8%	0.075	11%	0.113	C	C	.	.	H	α-helix	trans	-68.5	-48.4	175.2	-66.8	82	-179.2	0	0	111.7	C515 S516 I520 T521 I522 L559 S610 C611 V618	C515-E518 VanDerWaalsContact C-OE2 3.29Å; C515-E518 VanDerWaalsContact CA-OE2 3.23Å; C515-E518 WeakPolarHBondContact CA-OE2 3.24Å; C515-E518 PolarHBondContact O-N 2.76Å; S516-E518 VanDerWaalsContact C-N 3.34Å; S516-E518 PolarHBondContact O-N 2.89Å; E518-I520 PolarHBondContact O-N 2.83Å; E518-T521 WeakPolarHBondContact O-CB 3.44Å; E518-T521 PolarHBondContact O-N 2.85Å; E518-T521 VanDerWaalsContact O-N 3.14Å; E518-I522 WeakPolarHBondContact O-CG1 3.47Å; E518-I522 PolarHBondContact O-N 2.86Å; E518-L559 HydrophobicContact CB-CD1 4.23Å; E518-L559 HydrophobicContact CB-CD2 3.75Å; E518-L559 HydrophobicContact CG-CD1 4.28Å; E518-L559 HydrophobicContact CG-CD2 3.66Å; E518-S610 VanDerWaalsContact OE1-CA 3.32Å; E518-S610 WeakPolarHBondContact OE1-CA 3.42Å; E518-S610 VanDerWaalsContact OE1-CB 3.29Å; E518-S610 WeakPolarHBondContact OE1-CB 3.37Å; E518-S610 PolarHBondContact OE1-OG 2.73Å; E518-S610 WeakPolarHBondContact OE2-CA 3.39Å; E518-C611 PolarHBondContact OE1-N 3.15Å; E518-C611 PolarHBondContact OE2-N 2.58Å; E518-V618 HydrophobicContact CB-CG1 4.43Å; E518-V618 HydrophobicContact CB-CG2 3.75Å; E518-V618 HydrophobicContact CG-CG2 4.09Å
519	V	97.7	Very high	94.6	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.4	-41.5	-178.7	176.9	0	0	0	0	111.5	A506 I507 C515 S516 T521 I522 V523 V618 A621 L622	A506-V519 HydrophobicContact CB-CG1 4.01Å; I507-V519 HydrophobicContact CG1-CG1 4.14Å; C515-V519 WeakPolarHBondContact O-CG2 3.46Å; C515-V519 PolarHBondContact O-N 3.39Å; S516-V519 PolarHBondContact O-N 2.86Å; V519-T521 VanDerWaalsContact C-N 3.26Å; V519-T521 PolarHBondContact O-N 2.76Å; V519-I522 PolarHBondContact O-N 3.5Å; V519-V523 HydrophobicContact CG1-CG2 4.41Å; V519-V523 WeakPolarHBondContact O-CG2 3.27Å; V519-V523 PolarHBondContact O-N 3.36Å; V519-V618 HydrophobicContact CG2-CG1 4.19Å; V519-A621 HydrophobicContact CG2-CB 3.93Å; V519-L622 HydrophobicContact CG1-CD2 4.33Å
520	I	97.8	Very high	93.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.6	-41.7	174.4	-70	166.6	0	0	0	110.3	I507 S516 E518 V523 A524 R594 L597 C601 L608	I507-I520 HydrophobicContact CG1-CG1 4.25Å; I507-I520 HydrophobicContact CG2-CG1 3.96Å; S516-I520 VanDerWaalsContact O-CB 3.27Å; S516-I520 WeakPolarHBondContact O-CB 3.49Å; S516-I520 WeakPolarHBondContact O-CD1 3.12Å; S516-I520 WeakPolarHBondContact O-CG1 3.15Å; S516-I520 PolarHBondContact O-N 2.94Å; E518-I520 PolarHBondContact O-N 2.83Å; I520-V523 PolarHBondContact O-N 2.88Å; I520-A524 VanDerWaalsContact O-CB 3.23Å; I520-A524 WeakPolarHBondContact O-CB 3.35Å; I520-A524 PolarHBondContact O-N 2.78Å; I520-R594 HydrophobicContact CG2-CB 4.46Å; I520-R594 HydrophobicContact CG2-CG 3.76Å; I520-L597 HydrophobicContact CG2-CB 3.64Å; I520-L597 HydrophobicContact CG2-CD1 4.16Å; I520-C601 HydrophobicContact CD1-CB 4.49Å; I520-L608 HydrophobicContact CD1-CD2 3.7Å
521	T	97.5	Very high	93.1	Very high	2 Å²	2	24 Å²	24	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-64.2	-44.2	177.7	-58.6	0	0	0	0	111.4	E517 E518 V519 A524 M525 L559 Y562 R594	E517-T521 WeakPolarHBondContact O-CB 3.34Å; E517-T521 PolarHBondContact O-N 2.79Å; E517-T521 PolarHBondContact O-OG1 3.09Å; E518-T521 WeakPolarHBondContact O-CB 3.44Å; E518-T521 PolarHBondContact O-N 2.85Å; E518-T521 VanDerWaalsContact O-N 3.14Å; V519-T521 VanDerWaalsContact C-N 3.26Å; V519-T521 PolarHBondContact O-N 2.76Å; T521-A524 PolarHBondContact O-N 2.84Å; T521-M525 VanDerWaalsContact O-CG 3.26Å; T521-M525 WeakPolarHBondContact O-CG 3.27Å; T521-M525 PolarHBondContact O-N 3.01Å; T521-L559 HydrophobicContact CG2-CD1 3.68Å; T521-Y562 HydrophobicContact CG2-CD1 3.26Å; T521-Y562 HydrophobicContact CG2-CD2 4.35Å; T521-Y562 HydrophobicContact CG2-CE1 3.87Å; T521-Y562 HydrophobicContact CG2-CG 3.55Å; T521-R594 PolarHBondContact OG1-NE 2.85Å
522	I	97.2	Very high	92.6	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-60.9	-49.4	176.5	-69.1	169.1	0	0	0	110.8	E518 V519 A524 M525 L526 L555 I556 L559 V618 L622	E518-I522 WeakPolarHBondContact O-CG1 3.47Å; E518-I522 PolarHBondContact O-N 2.86Å; V519-I522 PolarHBondContact O-N 3.5Å; I522-A524 VanDerWaalsContact C-N 3.28Å; I522-A524 PolarHBondContact O-N 2.87Å; I522-M525 PolarHBondContact O-N 3.03Å; I522-L526 HydrophobicContact CG2-CD1 4.14Å; I522-L526 HydrophobicContact CG2-CG 4.5Å; I522-L526 WeakPolarHBondContact O-CG 3.23Å; I522-L526 PolarHBondContact O-N 3.29Å; I522-L555 HydrophobicContact CD1-CB 4.29Å; I522-L555 HydrophobicContact CG2-CB 3.99Å; I522-L555 HydrophobicContact CG2-CD1 4.36Å; I522-L555 HydrophobicContact CG2-CD2 4.05Å; I522-L555 HydrophobicContact CG2-CG 4.37Å; I522-I556 HydrophobicContact CD1-CD1 4.2Å; I522-L559 HydrophobicContact CD1-CB 4.5Å; I522-L559 HydrophobicContact CG1-CB 4.07Å; I522-V618 HydrophobicContact CD1-CG1 3.58Å; I522-L622 HydrophobicContact CD1-CD1 4.19Å; I522-L622 HydrophobicContact CG2-CD2 4.38Å
523	V	97	Very high	91.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.8	-38.9	178.2	171.4	0	0	0	0	111.3	V499 F503 I507 V519 I520 L526 S527 L597	V499-V523 HydrophobicContact CG1-CG1 4.09Å; F503-V523 HydrophobicContact CB-CG1 3.75Å; F503-V523 HydrophobicContact CB-CG2 3.93Å; F503-V523 HydrophobicContact CD1-CG2 4.15Å; F503-V523 HydrophobicContact CD2-CG1 4.31Å; F503-V523 HydrophobicContact CG-CG1 4.01Å; F503-V523 HydrophobicContact CG-CG2 4.22Å; I507-V523 HydrophobicContact CD1-CB 4.23Å; I507-V523 HydrophobicContact CD1-CG1 4.06Å; I507-V523 HydrophobicContact CD1-CG2 4.2Å; I507-V523 HydrophobicContact CG1-CG2 4.08Å; V519-V523 HydrophobicContact CG1-CG2 4.41Å; V519-V523 WeakPolarHBondContact O-CG2 3.27Å; V519-V523 PolarHBondContact O-N 3.36Å; I520-V523 PolarHBondContact O-N 2.88Å; V523-L526 PolarHBondContact O-N 3.07Å; V523-S527 VanDerWaalsContact O-CB 3.24Å; V523-S527 WeakPolarHBondContact O-CB 3.4Å; V523-S527 PolarHBondContact O-N 2.8Å; V523-S527 PolarHBondContact O-OG 3.11Å; V523-L597 HydrophobicContact CB-CD1 4.37Å; V523-L597 HydrophobicContact CG1-CD1 3.91Å
524	A	96.2	Very high	90.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.4	-42.5	176.5	0	0	0	0	0	112	I520 T521 I522 S527 A528 I593 R594	I520-A524 VanDerWaalsContact O-CB 3.23Å; I520-A524 WeakPolarHBondContact O-CB 3.35Å; I520-A524 PolarHBondContact O-N 2.78Å; T521-A524 PolarHBondContact O-N 2.84Å; I522-A524 VanDerWaalsContact C-N 3.28Å; I522-A524 PolarHBondContact O-N 2.87Å; A524-S527 PolarHBondContact O-N 3.37Å; A524-A528 WeakPolarHBondContact O-CB 3.46Å; A524-A528 PolarHBondContact O-N 3.28Å; A524-I593 HydrophobicContact CB-CB 4Å; A524-I593 HydrophobicContact CB-CG2 3.77Å; A524-R594 HydrophobicContact CB-CB 3.8Å
525	M	95.2	Very high	89	Confident	2 Å²	2	20.3 Å²	20.3	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-64.1	-46.2	176.2	-71.5	-71.1	-78.9	0	0	111.8	T521 I522 S527 A528 V531 M558 Y562 L587 A590	T521-M525 VanDerWaalsContact O-CG 3.26Å; T521-M525 WeakPolarHBondContact O-CG 3.27Å; T521-M525 PolarHBondContact O-N 3.01Å; I522-M525 PolarHBondContact O-N 3.03Å; M525-S527 PolarHBondContact O-N 2.58Å; M525-A528 PolarHBondContact O-N 3.45Å; M525-V531 HydrophobicContact CE-CB 4.24Å; M525-V531 HydrophobicContact CE-CG1 3.99Å; M525-V531 HydrophobicContact CE-CG2 3.81Å; M525-V531 HydrophobicContact SD-CG2 4.17Å; M525-M558 HydrophobicContact CB-CB 4.47Å; M525-M558 HydrophobicContact CB-SD 4.39Å; M525-M558 HydrophobicContact CE-CB 4.26Å; M525-Y562 HydrophobicContact CG-CD2 4.27Å; M525-Y562 HydrophobicContact CG-CG 4.48Å; M525-Y562 HydrophobicContact SD-CD2 3.62Å; M525-Y562 HydrophobicContact SD-CG 4.19Å; M525-L587 HydrophobicContact CE-CD2 3.81Å; M525-L587 HydrophobicContact SD-CD2 3.83Å; M525-A590 HydrophobicContact CG-CB 4.45Å; M525-A590 HydrophobicContact SD-CB 3.71Å
526	L	93.2	Very high	87.6	Confident	27 Å²	27	22.2 Å²	22.2	14%	0.141	15%	0.151	C	C	.	.	H	α-helix	trans	-62.8	-31.3	175.6	-68.8	176.7	0	0	0	112.6	F503 I522 V523 L555 M558 F626 D680	F503-L526 HydrophobicContact CE1-CD1 3.85Å; F503-L526 HydrophobicContact CZ-CB 4.43Å; F503-L526 HydrophobicContact CZ-CD1 4.28Å; I522-L526 HydrophobicContact CG2-CD1 4.14Å; I522-L526 HydrophobicContact CG2-CG 4.5Å; I522-L526 WeakPolarHBondContact O-CG 3.23Å; I522-L526 PolarHBondContact O-N 3.29Å; V523-L526 PolarHBondContact O-N 3.07Å; L526-L555 HydrophobicContact CD1-CD2 3.94Å; L526-L555 HydrophobicContact CD2-CD2 3.89Å; L526-L555 HydrophobicContact CG-CD2 4.22Å; L526-M558 HydrophobicContact CD2-CE 3.9Å; L526-M558 HydrophobicContact CD2-SD 4.19Å; L526-F626 HydrophobicContact CD1-CZ 4.07Å; L526-D680 HydrophobicContact CD2-CB 4.13Å
527	S	90.7	Very high	86.1	Confident	31 Å²	31	26.1 Å²	26.1	22%	0.217	18%	0.183	C	C	.	.	H	α-helix	trans	-86.5	-15	-179.1	-58.7	0	0	0	0	113.9	V523 A524 M525	V523-S527 VanDerWaalsContact O-CB 3.24Å; V523-S527 WeakPolarHBondContact O-CB 3.4Å; V523-S527 PolarHBondContact O-N 2.8Å; V523-S527 PolarHBondContact O-OG 3.11Å; A524-S527 PolarHBondContact O-N 3.37Å; M525-S527 PolarHBondContact O-N 2.58Å
528	A	86.3	Confident	85	Confident	12 Å²	12	27 Å²	27	10%	0.099	19%	0.193	C	C	.	.	H	α-helix	trans	-81.2	-14.7	-177.1	0	0	0	0	0	113.8	A524 M525 H586 M589 A590 I593	A524-A528 WeakPolarHBondContact O-CB 3.46Å; A524-A528 PolarHBondContact O-N 3.28Å; M525-A528 PolarHBondContact O-N 3.45Å; A528-H586 WeakPolarHBondContact CB-O 3.47Å; A528-H586 PolarHBondContact O-CD2 2.85Å; A528-M589 HydrophobicContact CB-CB 4.33Å; A528-M589 HydrophobicContact CB-CG 4.35Å; A528-A590 HydrophobicContact CB-CB 3.81Å; A528-I593 HydrophobicContact CB-CD1 4.14Å
529	G	79.1	Confident	84.2	Confident	29 Å²	29	34.1 Å²	34.1	30%	0.299	23%	0.226	S	C	.	.			trans	104.7	-172.3	-174.3	0	0	0	0	0	112.6	V531	G529-V531 PolarHBondContact O-N 3.2Å
530	N	78.6	Confident	83.4	Confident	60 Å²	60	36.4 Å²	36.4	32%	0.321	25%	0.245	S	C	.	.			trans	-71.4	102.3	-178.1	-174.8	3.9	0	0	0	111.2	Y532 H586	N530-Y532 VanDerWaalsContact C-N 3.28Å; N530-Y532 PolarHBondContact O-N 3.39Å; N530-Y532 PolarHBondContact OD1-N 2.82Å; N530-Y532 VanDerWaalsContact OD1-N 3.14Å; N530-Y532 PolarHBondContact OD1-O 3.32Å; N530-H586 PolarHBondContact O-CE1 3.42Å; N530-H586 PolarHBondContact O-ND1 2.95Å
531	V	82	Confident	82.5	Confident	5 Å²	5	36.5 Å²	36.5	3%	0.03	25%	0.245	C	C	.	.			trans	-70.9	-25.5	-178.5	-179.1	0	0	0	0	112.2	M525 G529 V582 N583 H586 L587	M525-V531 HydrophobicContact CE-CB 4.24Å; M525-V531 HydrophobicContact CE-CG1 3.99Å; M525-V531 HydrophobicContact CE-CG2 3.81Å; M525-V531 HydrophobicContact SD-CG2 4.17Å; G529-V531 PolarHBondContact O-N 3.2Å; V531-V582 HydrophobicContact CG1-CB 4.17Å; V531-V582 HydrophobicContact CG1-CG1 4.3Å; V531-V582 CarbonylContact O-C 3.53Å; V531-V582 VanDerWaalsContact O-CA 3.27Å; V531-V582 WeakPolarHBondContact O-CA 3.29Å; V531-N583 PolarHBondContact O-N 3.13Å; V531-H586 HydrophobicContact CG2-CB 4.14Å; V531-L587 HydrophobicContact CG1-CD1 4.49Å; V531-L587 HydrophobicContact CG1-CD2 3.76Å; V531-L587 HydrophobicContact CG1-CG 3.91Å
532	Y	83.3	Confident	81.7	Confident	34 Å²	34	40.2 Å²	40.2	13%	0.133	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-83.7	134.9	-176.7	-58.3	-69.7	0	0	0	111.3	N530 M558 M561 V582	N530-Y532 VanDerWaalsContact C-N 3.28Å; N530-Y532 PolarHBondContact O-N 3.39Å; N530-Y532 PolarHBondContact OD1-N 2.82Å; N530-Y532 VanDerWaalsContact OD1-N 3.14Å; N530-Y532 PolarHBondContact OD1-O 3.32Å; Y532-M558 HydrophobicContact CE2-CG 4.23Å; Y532-M558 WeakPolarHBondContact OH-CG 3.42Å; Y532-M561 HydrophobicContact CE1-CE 4.05Å; Y532-V582 HydrophobicContact CD1-CG1 4.38Å
533	T	74.5	Confident	81.1	Confident	51 Å²	51	45.2 Å²	45.2	31%	0.313	29%	0.289	S	S	.	.			trans	-115.7	170	172.6	66.9	0	0	0	0	110.1	R545 F581 N583	T533-R545 PolarHBondContact O-NH2 3.11Å; T533-F581 WeakPolarHBondContact CA-O 3.27Å; T533-F581 PolarHBondContact N-O 2.81Å; T533-F581 WeakPolarHBondContact OG1-CA 3.47Å; T533-F581 PolarHBondContact OG1-O 3.21Å; T533-N583 HydrophobicContact CG2-CB 3.85Å
534	G	67.6	Low	80.6	Confident	49 Å²	49	46.6 Å²	46.6	51%	0.505	30%	0.295	S	S	.	.	S	Bend	trans	74.2	155.5	-178.6	0	0	0	0	0	113.4	A536 R545	G534-A536 PolarHBondContact O-N 3.32Å; G534-R545 PolarHBondContact O-NH2 2.83Å
535	S	67	Low	79.9	Confident	77 Å²	77	47.9 Å²	47.9	54%	0.538	30%	0.3	S	S	.	.			trans	-65.2	131.3	177	176.6	0	0	0	0	110.5	A537 S538	S535-A537 PolarHBondContact O-N 3.14Å; S535-A537 VanDerWaalsContact O-N 3.13Å; S535-A537 PolarHBondContact OG-N 3.08Å; S535-S538 WeakPolarHBondContact O-CB 3.31Å; S535-S538 PolarHBondContact O-N 3Å
536	A	66.8	Low	79.5	Confident	40 Å²	40	56.2 Å²	56.2	33%	0.331	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-19.6	173.3	0	0	0	0	0	112.8	G534 Q542	G534-A536 PolarHBondContact O-N 3.32Å; A536-Q542 WeakPolarHBondContact O-CG 3.41Å; A536-Q542 PolarHBondContact O-NE2 2.88Å
537	A	66.2	Low	79.2	Confident	82 Å²	82	61.1 Å²	61.1	68%	0.678	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-13.1	176.1	0	0	0	0	0	113.6	S535 E539	S535-A537 PolarHBondContact O-N 3.14Å; S535-A537 VanDerWaalsContact O-N 3.13Å; S535-A537 PolarHBondContact OG-N 3.08Å; A537-E539 PolarHBondContact O-N 2.7Å
538	S	73.3	Confident	79.1	Confident	48 Å²	48	60.5 Å²	60.5	34%	0.336	35%	0.345	S	S	.	.			trans	-73.1	127.9	179.4	174.4	0	0	0	0	111	S535 A540 V541 Q542	S535-S538 WeakPolarHBondContact O-CB 3.31Å; S535-S538 PolarHBondContact O-N 3Å; S538-A540 VanDerWaalsContact C-N 3.32Å; S538-A540 PolarHBondContact O-N 3.33Å; S538-V541 WeakPolarHBondContact O-CB 3.35Å; S538-V541 PolarHBondContact O-N 3.43Å; S538-V541 VanDerWaalsContact O-N 3.15Å; S538-Q542 WeakPolarHBondContact O-CG 3.39Å; S538-Q542 PolarHBondContact O-N 2.9Å
539	E	80.8	Confident	79.1	Confident	166 Å²	166	64.2 Å²	64.2	78%	0.776	36%	0.359	S	S	*	.	H	α-helix	trans	-59.2	-41.8	178.4	-171.4	176.5	-170.5	0	0	112.3	A537 V541 Q542 L543	A537-E539 PolarHBondContact O-N 2.7Å; E539-V541 VanDerWaalsContact C-N 3.32Å; E539-V541 PolarHBondContact O-N 3.48Å; E539-Q542 PolarHBondContact O-N 3.46Å; E539-L543 WeakPolarHBondContact O-CB 3.01Å; E539-L543 PolarHBondContact O-N 3.46Å
540	A	81.4	Confident	79.6	Confident	49 Å²	49	62.9 Å²	62.9	41%	0.405	35%	0.345	S	S	.	.	H	α-helix	trans	-60.6	-41	176.1	0	0	0	0	0	112.1	S538 L543 Q544 F581	S538-A540 VanDerWaalsContact C-N 3.32Å; S538-A540 PolarHBondContact O-N 3.33Å; A540-L543 PolarHBondContact O-N 2.96Å; A540-Q544 WeakPolarHBondContact O-CG 3.48Å; A540-Q544 PolarHBondContact O-N 3.2Å; A540-F581 HydrophobicContact CB-CE2 4.17Å; A540-F581 HydrophobicContact CB-CZ 3.92Å; A540-F581 WeakPolarHBondContact O-CE2 3.49Å
541	V	78.7	Confident	80.1	Confident	1 Å²	1	64 Å²	64	1%	0.006	36%	0.356	C	S	.	.	H	α-helix	trans	-64.8	-46.6	175.9	175.3	0	0	0	0	110	S538 E539 L543 Q544 R545 F581	S538-V541 WeakPolarHBondContact O-CB 3.35Å; S538-V541 PolarHBondContact O-N 3.43Å; S538-V541 VanDerWaalsContact O-N 3.15Å; E539-V541 VanDerWaalsContact C-N 3.32Å; E539-V541 PolarHBondContact O-N 3.48Å; V541-L543 VanDerWaalsContact C-N 3.33Å; V541-L543 PolarHBondContact O-N 3.19Å; V541-Q544 PolarHBondContact O-N 3.47Å; V541-R545 HydrophobicContact CG1-CG 4.14Å; V541-R545 WeakPolarHBondContact O-CB 3.12Å; V541-R545 WeakPolarHBondContact O-CG 3.41Å; V541-R545 PolarHBondContact O-N 2.76Å; V541-F581 HydrophobicContact CB-CD2 4.33Å; V541-F581 HydrophobicContact CB-CG 4.45Å; V541-F581 HydrophobicContact CG2-CB 4.3Å; V541-F581 HydrophobicContact CG2-CD1 3.69Å; V541-F581 HydrophobicContact CG2-CD2 3.94Å; V541-F581 HydrophobicContact CG2-CE1 3.88Å; V541-F581 HydrophobicContact CG2-CE2 4.12Å; V541-F581 HydrophobicContact CG2-CG 3.72Å; V541-F581 HydrophobicContact CG2-CZ 4.08Å
542	Q	80.1	Confident	80.5	Confident	80 Å²	80	66.5 Å²	66.5	37%	0.374	37%	0.367	S	S	.	.	H	α-helix	trans	-61	-41.4	178.6	-69.5	-178	18.6	0	0	112.2	A536 S538 E539 Q544 R545 R546	A536-Q542 WeakPolarHBondContact O-CG 3.41Å; A536-Q542 PolarHBondContact O-NE2 2.88Å; S538-Q542 WeakPolarHBondContact O-CG 3.39Å; S538-Q542 PolarHBondContact O-N 2.9Å; E539-Q542 PolarHBondContact O-N 3.46Å; Q542-Q544 VanDerWaalsContact C-N 3.35Å; Q542-Q544 PolarHBondContact O-N 3.32Å; Q542-R545 PolarHBondContact O-N 3.15Å; Q542-R546 VanDerWaalsContact O-CG 3.29Å; Q542-R546 WeakPolarHBondContact O-CG 3.17Å; Q542-R546 PolarHBondContact O-N 3.27Å
543	L	86	Confident	81	Confident	106 Å²	106	64.9 Å²	64.9	56%	0.555	36%	0.361	S	S	*	.	H	α-helix	trans	-58.5	-45	178	-175.8	66.7	0	0	0	111.9	E539 A540 V541	E539-L543 WeakPolarHBondContact O-CB 3.01Å; E539-L543 PolarHBondContact O-N 3.46Å; A540-L543 PolarHBondContact O-N 2.96Å; V541-L543 VanDerWaalsContact C-N 3.33Å; V541-L543 PolarHBondContact O-N 3.19Å
544	Q	85.3	Confident	82	Confident	29 Å²	29	62.8 Å²	62.8	14%	0.136	35%	0.348	C	S	.	.	H	α-helix	trans	-71.8	-37.6	177.8	-60.7	-61.6	-24.5	0	0	112	A540 V541 Q542 R546 K547 T579 F581	A540-Q544 WeakPolarHBondContact O-CG 3.48Å; A540-Q544 PolarHBondContact O-N 3.2Å; V541-Q544 PolarHBondContact O-N 3.47Å; Q542-Q544 VanDerWaalsContact C-N 3.35Å; Q542-Q544 PolarHBondContact O-N 3.32Å; Q544-R546 VanDerWaalsContact C-N 3.31Å; Q544-R546 PolarHBondContact O-N 3.42Å; Q544-K547 WeakPolarHBondContact O-CB 3.33Å; Q544-K547 PolarHBondContact O-N 2.93Å; Q544-K547 VanDerWaalsContact OE1-CE 3.31Å; Q544-T579 VanDerWaalsContact CG-O 3.3Å; Q544-T579 WeakPolarHBondContact CG-O 3.17Å; Q544-F581 HydrophobicContact CB-CD2 4.15Å; Q544-F581 HydrophobicContact CG-CD2 3.95Å; Q544-F581 HydrophobicContact CG-CE2 3.88Å
545	R	82.6	Confident	83.3	Confident	28 Å²	28	60.5 Å²	60.5	11%	0.106	32%	0.324	C	S	.	.	H	α-helix	trans	-64.7	-33.8	177.4	-74	-174.8	179.8	-178.3	12	112.7	T533 G534 V541 Q542 K547 F548 R557	T533-R545 PolarHBondContact O-NH2 3.11Å; G534-R545 PolarHBondContact O-NH2 2.83Å; V541-R545 HydrophobicContact CG1-CG 4.14Å; V541-R545 WeakPolarHBondContact O-CB 3.12Å; V541-R545 WeakPolarHBondContact O-CG 3.41Å; V541-R545 PolarHBondContact O-N 2.76Å; Q542-R545 PolarHBondContact O-N 3.15Å; R545-K547 VanDerWaalsContact C-N 3.26Å; R545-K547 PolarHBondContact O-N 3.39Å; R545-F548 PolarHBondContact O-N 3.18Å; R545-R557 VanDerWaalsContact CD-NH2 3.31Å
546	R	85.3	Confident	84.6	Confident	177 Å²	177	56.9 Å²	56.9	67%	0.668	30%	0.298	S	S	*	.	H	α-helix	trans	-61.9	-28.6	176	-77.8	175.6	-172.7	-169.7	5.2	113.3	Q542 Q544 F548 F549	Q542-R546 VanDerWaalsContact O-CG 3.29Å; Q542-R546 WeakPolarHBondContact O-CG 3.17Å; Q542-R546 PolarHBondContact O-N 3.27Å; Q544-R546 VanDerWaalsContact C-N 3.31Å; Q544-R546 PolarHBondContact O-N 3.42Å; R546-F548 PolarHBondContact O-N 2.59Å; R546-F549 VanDerWaalsContact O-CB 3.24Å; R546-F549 WeakPolarHBondContact O-CB 3.27Å; R546-F549 PolarHBondContact O-N 2.96Å
547	K	87.3	Confident	85.9	Confident	129 Å²	129	55.3 Å²	55.3	56%	0.561	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.7	176.8	-64.6	179.4	175.6	174.3	0	113.6	Q544 R545	Q544-K547 WeakPolarHBondContact O-CB 3.33Å; Q544-K547 PolarHBondContact O-N 2.93Å; Q544-K547 VanDerWaalsContact OE1-CE 3.31Å; R545-K547 VanDerWaalsContact C-N 3.26Å; R545-K547 PolarHBondContact O-N 3.39Å
548	F	88.4	Confident	87.2	Confident	18 Å²	18	51.8 Å²	51.8	8%	0.079	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	21.3	177.9	-55	-81.8	0	0	0	111.4	R545 R546 C550 R557 Q560 M561 A564 W576 H580	R545-F548 PolarHBondContact O-N 3.18Å; R546-F548 PolarHBondContact O-N 2.59Å; F548-C550 PolarHBondContact O-N 3.11Å; F548-C550 PolarHBondContact O-SG 2.98Å; F548-R557 HydrophobicContact CB-CG 4.05Å; F548-R557 WeakPolarHBondContact O-CB 3.42Å; F548-R557 VanDerWaalsContact O-CD 3.24Å; F548-R557 WeakPolarHBondContact O-CD 3.3Å; F548-R557 WeakPolarHBondContact O-CG 3.34Å; F548-Q560 HydrophobicContact CD1-CB 4.44Å; F548-M561 HydrophobicContact CB-CE 4.31Å; F548-M561 HydrophobicContact CD1-CB 4.4Å; F548-M561 HydrophobicContact CD1-CE 4.5Å; F548-M561 HydrophobicContact CD1-SD 4.31Å; F548-M561 HydrophobicContact CD2-CE 3.26Å; F548-M561 HydrophobicContact CD2-SD 3.73Å; F548-M561 HydrophobicContact CE1-SD 4.08Å; F548-M561 HydrophobicContact CE2-CE 3.56Å; F548-M561 HydrophobicContact CE2-SD 3.44Å; F548-M561 WeakPolarHBondContact CE2-SD 3.45Å; F548-M561 HydrophobicContact CG-CE 3.78Å; F548-M561 HydrophobicContact CG-SD 4.14Å; F548-M561 HydrophobicContact CZ-CE 4.31Å; F548-M561 HydrophobicContact CZ-SD 3.63Å; F548-A564 HydrophobicContact CE1-CB 3.64Å; F548-A564 HydrophobicContact CZ-CB 4.24Å; F548-W576 HydrophobicContact CZ-CH2 4.27Å; F548-W576 AromaticContact CZ-CZ2 3.87Å; F548-W576 HydrophobicContact CZ-CZ2 3.87Å; F548-H580 AromaticContact CE2-CD2 3.63Å
549	F	87.3	Confident	88.2	Confident	90 Å²	90	49.6 Å²	49.6	40%	0.395	24%	0.238	S	C	.	.			trans	-60.7	129.2	175.9	175.1	-92.7	0	0	0	109.6	R546 C656 H660	R546-F549 VanDerWaalsContact O-CB 3.24Å; R546-F549 WeakPolarHBondContact O-CB 3.27Å; R546-F549 PolarHBondContact O-N 2.96Å; F549-C656 HydrophobicContact CD2-CB 4.06Å; F549-C656 HydrophobicContact CE2-CB 4.43Å; F549-C656 WeakPolarHBondContact CE2-O 3.38Å; F549-H660 AromaticContact CE2-NE2 3.87Å; F549-H660 AromaticContact CZ-NE2 3.99Å
550	C	88.7	Confident	88.8	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.007	21%	0.213	C	C	.	.			trans	-125.9	127.6	174.1	-56.5	0	0	0	0	108.8	F548 E552 G553 I556 R557 Q560	F548-C550 PolarHBondContact O-N 3.11Å; F548-C550 PolarHBondContact O-SG 2.98Å; C550-E552 PolarHBondContact O-N 2.88Å; C550-G553 PolarHBondContact O-N 3.47Å; C550-I556 HydrophobicContact CB-CB 4.22Å; C550-I556 HydrophobicContact CB-CG2 4.08Å; C550-R557 HydrophobicContact CB-CB 4.37Å; C550-R557 VanDerWaalsContact SG-CA 3.55Å; C550-Q560 PolarHBondContact SG-NE2 3.27Å; C550-Q560 VanDerWaalsContact SG-NE2 3.36Å; C550-Q560 PolarHBondContact SG-OE1 3.42Å
551	P	88.6	Confident	89.3	Confident	83 Å²	83	42 Å²	42	54%	0.539	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.9	174.5	26	-33.4	0	0	0	112.3	G553 V683	P551-G553 VanDerWaalsContact C-N 3.29Å; P551-G553 PolarHBondContact O-N 2.88Å; P551-V683 WeakPolarHBondContact O-CG2 3.3Å
552	E	91.5	Very high	90.1	Very high	59 Å²	59	42.4 Å²	42.4	28%	0.276	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-19.9	175.6	-57.8	82	179.8	0	0	112.8	C550 I556 T682 V683	C550-E552 PolarHBondContact O-N 2.88Å; E552-I556 HydrophobicContact CB-CB 4.02Å; E552-I556 HydrophobicContact CB-CG1 3.58Å; E552-I556 HydrophobicContact CB-CG2 4.35Å; E552-I556 HydrophobicContact CG-CG1 4.43Å; E552-T682 CarbonylContact O-C 3.59Å; E552-T682 VanDerWaalsContact O-CA 3.26Å; E552-T682 WeakPolarHBondContact O-CA 3.38Å; E552-T682 WeakPolarHBondContact O-CG2 3.44Å; E552-V683 PolarHBondContact O-N 3Å
553	G	94.5	Very high	90.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	114.6	-168.3	173.2	0	0	0	0	0	116.4	C550 P551 L555 I556 R557 C656 V681	C550-G553 PolarHBondContact O-N 3.47Å; P551-G553 VanDerWaalsContact C-N 3.29Å; P551-G553 PolarHBondContact O-N 2.88Å; G553-L555 PolarHBondContact O-N 3Å; G553-I556 PolarHBondContact O-N 2.69Å; G553-R557 WeakPolarHBondContact O-CB 3.26Å; G553-R557 PolarHBondContact O-N 2.77Å; G553-C656 VanDerWaalsContact C-SG 3.57Å; G553-V681 CarbonylContact C-O 3.59Å; G553-V681 WeakPolarHBondContact CA-O 3.45Å
554	D	94	Very high	91.2	Very high	7 Å²	7	37.9 Å²	37.9	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-65.5	-37.2	-168.5	-64.3	-44.2	0	0	0	113.6	R557 M558 S655 C656 V681	D554-R557 PolarHBondContact O-N 2.9Å; D554-M558 HydrophobicContact CB-CE 4.29Å; D554-M558 WeakPolarHBondContact O-CB 3.32Å; D554-M558 WeakPolarHBondContact O-CG 3.38Å; D554-M558 PolarHBondContact O-N 3.4Å; D554-S655 VanDerWaalsContact CG-OG 3.23Å; D554-S655 VanDerWaalsContact OD1-CA 3.27Å; D554-S655 WeakPolarHBondContact OD1-CA 3.39Å; D554-S655 PolarHBondContact OD1-OG 3.48Å; D554-S655 WeakPolarHBondContact OD2-CA 3.36Å; D554-S655 WeakPolarHBondContact OD2-CB 3.33Å; D554-S655 PolarHBondContact OD2-OG 3.43Å; D554-C656 PolarHBondContact OD1-N 2.89Å; D554-C656 PolarHBondContact OD1-SG 2.96Å; D554-C656 VanDerWaalsContact OD1-SG 3.32Å; D554-V681 WeakPolarHBondContact CB-O 3.1Å; D554-V681 PolarHBondContact N-O 3.14Å; D554-V681 PolarHBondContact OD2-N 3.39Å
555	L	95.1	Very high	91.6	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-68.8	-39.9	-179.2	-56.6	179.7	0	0	0	110.9	I522 L526 G553 M558 L559 L622 D680 T682	I522-L555 HydrophobicContact CD1-CB 4.29Å; I522-L555 HydrophobicContact CG2-CB 3.99Å; I522-L555 HydrophobicContact CG2-CD1 4.36Å; I522-L555 HydrophobicContact CG2-CD2 4.05Å; I522-L555 HydrophobicContact CG2-CG 4.37Å; L526-L555 HydrophobicContact CD1-CD2 3.94Å; L526-L555 HydrophobicContact CD2-CD2 3.89Å; L526-L555 HydrophobicContact CG-CD2 4.22Å; G553-L555 PolarHBondContact O-N 3Å; L555-M558 HydrophobicContact CD2-CE 3.79Å; L555-M558 PolarHBondContact O-N 3.28Å; L555-L559 PolarHBondContact O-N 3.02Å; L555-L622 HydrophobicContact CD1-CD1 3.77Å; L555-D680 HydrophobicContact CD2-CB 3.81Å; L555-T682 WeakPolarHBondContact CB-OG1 3.34Å; L555-T682 WeakPolarHBondContact CD1-OG1 3.47Å; L555-T682 WeakPolarHBondContact CG-OG1 3.11Å; L555-T682 PolarHBondContact N-OG1 2.82Å
556	I	95	Very high	92.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-70.5	-38	175.1	-55.6	-50.9	0	0	0	110.7	I522 C550 E552 G553 M558 L559 Q560 Y615 V618	I522-I556 HydrophobicContact CD1-CD1 4.2Å; C550-I556 HydrophobicContact CB-CB 4.22Å; C550-I556 HydrophobicContact CB-CG2 4.08Å; E552-I556 HydrophobicContact CB-CB 4.02Å; E552-I556 HydrophobicContact CB-CG1 3.58Å; E552-I556 HydrophobicContact CB-CG2 4.35Å; E552-I556 HydrophobicContact CG-CG1 4.43Å; G553-I556 PolarHBondContact O-N 2.69Å; I556-M558 VanDerWaalsContact C-N 3.35Å; I556-M558 PolarHBondContact O-N 3.49Å; I556-L559 WeakPolarHBondContact O-CB 3.45Å; I556-L559 PolarHBondContact O-N 2.83Å; I556-Q560 WeakPolarHBondContact O-CG 3.44Å; I556-Q560 PolarHBondContact O-N 2.9Å; I556-Y615 HydrophobicContact CD1-CD1 4.13Å; I556-Y615 HydrophobicContact CD1-CG 4.38Å; I556-Y615 HydrophobicContact CG2-CD1 3.83Å; I556-Y615 HydrophobicContact CG2-CD2 3.81Å; I556-Y615 HydrophobicContact CG2-CE1 3.93Å; I556-Y615 HydrophobicContact CG2-CE2 3.91Å; I556-Y615 HydrophobicContact CG2-CG 3.78Å; I556-V618 HydrophobicContact CD1-CB 4.2Å; I556-V618 HydrophobicContact CD1-CG1 3.83Å
557	R	93.4	Very high	92.4	Very high	8 Å²	8	39 Å²	39	3%	0.03	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-42.4	170.9	167.6	165.5	177.8	-126.7	-20.3	112.6	R545 F548 C550 G553 D554 L559 Q560 M561	R545-R557 VanDerWaalsContact CD-NH2 3.31Å; F548-R557 HydrophobicContact CB-CG 4.05Å; F548-R557 WeakPolarHBondContact O-CB 3.42Å; F548-R557 VanDerWaalsContact O-CD 3.24Å; F548-R557 WeakPolarHBondContact O-CD 3.3Å; F548-R557 WeakPolarHBondContact O-CG 3.34Å; C550-R557 HydrophobicContact CB-CB 4.37Å; C550-R557 VanDerWaalsContact SG-CA 3.55Å; G553-R557 WeakPolarHBondContact O-CB 3.26Å; G553-R557 PolarHBondContact O-N 2.77Å; D554-R557 PolarHBondContact O-N 2.9Å; R557-L559 VanDerWaalsContact C-N 3.34Å; R557-Q560 PolarHBondContact O-N 2.9Å; R557-M561 WeakPolarHBondContact O-CB 3.34Å; R557-M561 PolarHBondContact O-N 2.86Å
558	M	93.3	Very high	92.7	Very high	8 Å²	8	34.2 Å²	34.2	4%	0.039	17%	0.173	C	C	.	.	H	α-helix	trans	-62.4	-41.3	174	-80.5	-173.3	-105.4	0	0	111.8	M525 L526 Y532 D554 L555 I556 M561 Y562 D680	M525-M558 HydrophobicContact CB-CB 4.47Å; M525-M558 HydrophobicContact CB-SD 4.39Å; M525-M558 HydrophobicContact CE-CB 4.26Å; L526-M558 HydrophobicContact CD2-CE 3.9Å; L526-M558 HydrophobicContact CD2-SD 4.19Å; Y532-M558 HydrophobicContact CE2-CG 4.23Å; Y532-M558 WeakPolarHBondContact OH-CG 3.42Å; D554-M558 HydrophobicContact CB-CE 4.29Å; D554-M558 WeakPolarHBondContact O-CB 3.32Å; D554-M558 WeakPolarHBondContact O-CG 3.38Å; D554-M558 PolarHBondContact O-N 3.4Å; L555-M558 HydrophobicContact CD2-CE 3.79Å; L555-M558 PolarHBondContact O-N 3.28Å; I556-M558 VanDerWaalsContact C-N 3.35Å; I556-M558 PolarHBondContact O-N 3.49Å; M558-M561 PolarHBondContact O-N 2.66Å; M558-Y562 WeakPolarHBondContact O-CB 3.43Å; M558-Y562 PolarHBondContact O-N 2.87Å; M558-D680 HydrophobicContact CE-CB 3.8Å; M558-D680 WeakPolarHBondContact CE-OD1 3.48Å
559	L	94.8	Very high	92.8	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-60.2	-48.8	174.2	171.7	66.1	0	0	0	111.8	E518 T521 I522 L555 I556 R557 M561 Y562 N563 Y615	E518-L559 HydrophobicContact CB-CD1 4.23Å; E518-L559 HydrophobicContact CB-CD2 3.75Å; E518-L559 HydrophobicContact CG-CD1 4.28Å; E518-L559 HydrophobicContact CG-CD2 3.66Å; T521-L559 HydrophobicContact CG2-CD1 3.68Å; I522-L559 HydrophobicContact CD1-CB 4.5Å; I522-L559 HydrophobicContact CG1-CB 4.07Å; L555-L559 PolarHBondContact O-N 3.02Å; I556-L559 WeakPolarHBondContact O-CB 3.45Å; I556-L559 PolarHBondContact O-N 2.83Å; R557-L559 VanDerWaalsContact C-N 3.34Å; L559-M561 VanDerWaalsContact C-N 3.34Å; L559-M561 PolarHBondContact O-N 2.78Å; L559-Y562 PolarHBondContact O-N 3.37Å; L559-N563 WeakPolarHBondContact O-CB 3.32Å; L559-N563 VanDerWaalsContact O-CG 3.26Å; L559-N563 PolarHBondContact O-N 2.89Å; L559-Y615 HydrophobicContact CD2-CD1 4.24Å; L559-Y615 HydrophobicContact CD2-CE1 3.79Å
560	Q	93.3	Very high	93	Very high	54 Å²	54	40.8 Å²	40.8	25%	0.252	20%	0.203	S	C	.	.	H	α-helix	trans	-62.6	-41.2	178.3	-71	-169.5	1.1	0	0	112.2	F548 C550 I556 R557 Y562 N563 A564 Y615	F548-Q560 HydrophobicContact CD1-CB 4.44Å; C550-Q560 PolarHBondContact SG-NE2 3.27Å; C550-Q560 VanDerWaalsContact SG-NE2 3.36Å; C550-Q560 PolarHBondContact SG-OE1 3.42Å; I556-Q560 WeakPolarHBondContact O-CG 3.44Å; I556-Q560 PolarHBondContact O-N 2.9Å; R557-Q560 PolarHBondContact O-N 2.9Å; Q560-Y562 PolarHBondContact O-N 3.33Å; Q560-N563 PolarHBondContact O-N 2.72Å; Q560-A564 WeakPolarHBondContact O-CB 3.37Å; Q560-A564 PolarHBondContact O-N 2.96Å; Q560-Y615 PolarHBondContact NE2-OH 3.44Å
561	M	93.2	Very high	93.1	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-58.2	-47.3	174.2	-176	74.1	74.2	0	0	111.4	Y532 F548 R557 M558 L559 A564 F565 W576 V582	Y532-M561 HydrophobicContact CE1-CE 4.05Å; F548-M561 HydrophobicContact CB-CE 4.31Å; F548-M561 HydrophobicContact CD1-CB 4.4Å; F548-M561 HydrophobicContact CD1-CE 4.5Å; F548-M561 HydrophobicContact CD1-SD 4.31Å; F548-M561 HydrophobicContact CD2-CE 3.26Å; F548-M561 HydrophobicContact CD2-SD 3.73Å; F548-M561 HydrophobicContact CE1-SD 4.08Å; F548-M561 HydrophobicContact CE2-CE 3.56Å; F548-M561 HydrophobicContact CE2-SD 3.44Å; F548-M561 WeakPolarHBondContact CE2-SD 3.45Å; F548-M561 HydrophobicContact CG-CE 3.78Å; F548-M561 HydrophobicContact CG-SD 4.14Å; F548-M561 HydrophobicContact CZ-CE 4.31Å; F548-M561 HydrophobicContact CZ-SD 3.63Å; R557-M561 WeakPolarHBondContact O-CB 3.34Å; R557-M561 PolarHBondContact O-N 2.86Å; M558-M561 PolarHBondContact O-N 2.66Å; L559-M561 VanDerWaalsContact C-N 3.34Å; L559-M561 PolarHBondContact O-N 2.78Å; M561-A564 PolarHBondContact O-N 2.87Å; M561-F565 PolarHBondContact O-N 3.49Å; M561-W576 HydrophobicContact CG-CH2 4.42Å; M561-W576 HydrophobicContact SD-CH2 3.7Å; M561-W576 HydrophobicContact SD-CZ3 4.42Å; M561-V582 HydrophobicContact CE-CG1 3.91Å; M561-V582 HydrophobicContact CG-CG1 4.25Å; M561-V582 HydrophobicContact SD-CG1 3.83Å
562	Y	95.1	Very high	93.3	Very high	11 Å²	11	45.1 Å²	45.1	4%	0.043	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-41.8	177.9	-179.2	-86.7	0	0	0	112.1	T521 M525 M558 L559 Q560 F565 S566 L587 A590 R591 R594	T521-Y562 HydrophobicContact CG2-CD1 3.26Å; T521-Y562 HydrophobicContact CG2-CD2 4.35Å; T521-Y562 HydrophobicContact CG2-CE1 3.87Å; T521-Y562 HydrophobicContact CG2-CG 3.55Å; M525-Y562 HydrophobicContact CG-CD2 4.27Å; M525-Y562 HydrophobicContact CG-CG 4.48Å; M525-Y562 HydrophobicContact SD-CD2 3.62Å; M525-Y562 HydrophobicContact SD-CG 4.19Å; M558-Y562 WeakPolarHBondContact O-CB 3.43Å; M558-Y562 PolarHBondContact O-N 2.87Å; L559-Y562 PolarHBondContact O-N 3.37Å; Q560-Y562 PolarHBondContact O-N 3.33Å; Y562-F565 PolarHBondContact O-N 2.77Å; Y562-S566 WeakPolarHBondContact CE1-OG 3.16Å; Y562-S566 WeakPolarHBondContact O-CB 3.3Å; Y562-S566 PolarHBondContact O-N 3.02Å; Y562-S566 PolarHBondContact O-OG 3.27Å; Y562-L587 HydrophobicContact CD2-CD2 4.34Å; Y562-A590 HydrophobicContact CD2-CB 4.25Å; Y562-A590 HydrophobicContact CE2-CB 4.04Å; Y562-R591 HydrophobicContact CE2-CB 4.47Å; Y562-R591 WeakPolarHBondContact OH-CA 3.24Å; Y562-R594 WeakPolarHBondContact OH-CD 3.48Å
563	N	93.9	Very high	93.3	Very high	59 Å²	59	42.3 Å²	42.3	32%	0.316	22%	0.215	S	C	.	.	H	α-helix	trans	-62.3	-46.1	177.6	-72.6	-15.5	0	0	0	110.8	L559 Q560 F565 S566 Y567	L559-N563 WeakPolarHBondContact O-CB 3.32Å; L559-N563 VanDerWaalsContact O-CG 3.26Å; L559-N563 PolarHBondContact O-N 2.89Å; Q560-N563 PolarHBondContact O-N 2.72Å; N563-F565 PolarHBondContact O-N 3.38Å; N563-S566 WeakPolarHBondContact O-CB 3.37Å; N563-S566 PolarHBondContact O-N 3.47Å; N563-S566 VanDerWaalsContact O-N 3.11Å; N563-Y567 WeakPolarHBondContact O-CD2 3.36Å; N563-Y567 PolarHBondContact O-N 2.86Å
564	A	93.7	Very high	93	Very high	32 Å²	32	48.7 Å²	48.7	26%	0.264	24%	0.243	S	C	.	.	H	α-helix	trans	-58.9	-46	175.7	0	0	0	0	0	111.8	F548 Q560 M561 S566 Y567 V568 W576	F548-A564 HydrophobicContact CE1-CB 3.64Å; F548-A564 HydrophobicContact CZ-CB 4.24Å; Q560-A564 WeakPolarHBondContact O-CB 3.37Å; Q560-A564 PolarHBondContact O-N 2.96Å; M561-A564 PolarHBondContact O-N 2.87Å; A564-S566 VanDerWaalsContact C-N 3.27Å; A564-S566 PolarHBondContact O-N 3.01Å; A564-Y567 PolarHBondContact O-N 3.37Å; A564-V568 WeakPolarHBondContact O-CG2 3.49Å; A564-W576 HydrophobicContact CB-CH2 4.43Å; A564-W576 HydrophobicContact CB-CZ2 3.9Å
565	F	94.3	Very high	92.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-36.5	174.9	176.9	-108.7	0	0	0	112.9	M561 Y562 N563 Y567 V568 A573 W576 C577 Y584 L587	M561-F565 PolarHBondContact O-N 3.49Å; Y562-F565 PolarHBondContact O-N 2.77Å; N563-F565 PolarHBondContact O-N 3.38Å; F565-Y567 PolarHBondContact O-N 2.99Å; F565-V568 WeakPolarHBondContact O-CB 3.48Å; F565-V568 PolarHBondContact O-N 3.41Å; F565-V568 VanDerWaalsContact O-N 3.07Å; F565-A573 HydrophobicContact CE2-CB 3.89Å; F565-A573 HydrophobicContact CZ-CB 4.33Å; F565-W576 HydrophobicContact CB-CE3 4.38Å; F565-W576 HydrophobicContact CB-CH2 3.89Å; F565-W576 HydrophobicContact CB-CZ3 3.73Å; F565-W576 AromaticContact CD2-CE3 3.73Å; F565-W576 HydrophobicContact CD2-CE3 3.73Å; F565-W576 AromaticContact CD2-CZ3 3.78Å; F565-W576 HydrophobicContact CD2-CZ3 3.78Å; F565-W576 HydrophobicContact CG-CZ3 4.2Å; F565-C577 VanDerWaalsContact CE2-SG 3.57Å; F565-Y584 AromaticContact CE2-CD2 3.99Å; F565-Y584 HydrophobicContact CE2-CD2 3.99Å; F565-Y584 HydrophobicContact CE2-CE2 4.35Å; F565-Y584 AromaticContact CZ-CD2 3.92Å; F565-Y584 HydrophobicContact CZ-CD2 3.92Å; F565-Y584 HydrophobicContact CZ-CE2 4.01Å; F565-L587 HydrophobicContact CB-CD1 4.22Å; F565-L587 HydrophobicContact CD1-CB 3.8Å; F565-L587 HydrophobicContact CD1-CD1 4.15Å; F565-L587 HydrophobicContact CD1-CD2 4.45Å; F565-L587 HydrophobicContact CD1-CG 4.36Å; F565-L587 HydrophobicContact CD2-CD1 3.77Å; F565-L587 HydrophobicContact CE1-CB 3.59Å; F565-L587 HydrophobicContact CE1-CD1 4.48Å; F565-L587 HydrophobicContact CE2-CB 4.41Å; F565-L587 HydrophobicContact CE2-CD1 4.12Å; F565-L587 HydrophobicContact CG-CB 4.29Å; F565-L587 HydrophobicContact CG-CD1 3.78Å; F565-L587 HydrophobicContact CG-CG 4.45Å; F565-L587 HydrophobicContact CZ-CB 3.92Å; F565-L587 HydrophobicContact CZ-CD1 4.46Å
566	S	92.9	Very high	92.8	Very high	52 Å²	52	54.5 Å²	54.5	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-66.9	-22.4	-178.5	-61.1	0	0	0	0	113.4	Y562 N563 A564	Y562-S566 WeakPolarHBondContact CE1-OG 3.16Å; Y562-S566 WeakPolarHBondContact O-CB 3.3Å; Y562-S566 PolarHBondContact O-N 3.02Å; Y562-S566 PolarHBondContact O-OG 3.27Å; N563-S566 WeakPolarHBondContact O-CB 3.37Å; N563-S566 PolarHBondContact O-N 3.47Å; N563-S566 VanDerWaalsContact O-N 3.11Å; A564-S566 VanDerWaalsContact C-N 3.27Å; A564-S566 PolarHBondContact O-N 3.01Å
567	Y	92.5	Very high	92.5	Very high	206 Å²	206	54.6 Å²	54.6	81%	0.808	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-5.7	173.9	-67.3	-70.9	0	0	0	113.7	N563 A564 F565	N563-Y567 WeakPolarHBondContact O-CD2 3.36Å; N563-Y567 PolarHBondContact O-N 2.86Å; A564-Y567 PolarHBondContact O-N 3.37Å; F565-Y567 PolarHBondContact O-N 2.99Å
568	V	93.3	Very high	92.1	Very high	27 Å²	27	60.6 Å²	60.6	16%	0.164	31%	0.307	C	S	.	.	S	Bend	trans	-79.4	133.5	178.4	-175.8	0	0	0	0	109.6	A564 F565 D572 A573 W576	A564-V568 WeakPolarHBondContact O-CG2 3.49Å; F565-V568 WeakPolarHBondContact O-CB 3.48Å; F565-V568 PolarHBondContact O-N 3.41Å; F565-V568 VanDerWaalsContact O-N 3.07Å; V568-D572 HydrophobicContact CG1-CB 4.02Å; V568-A573 HydrophobicContact CG1-CB 4.39Å; V568-W576 HydrophobicContact CG1-CB 3.95Å; V568-W576 HydrophobicContact CG1-CG 4.24Å; V568-W576 HydrophobicContact CG2-CB 4.3Å; V568-W576 HydrophobicContact CG2-CD2 3.94Å; V568-W576 HydrophobicContact CG2-CG 3.7Å
569	K	90.9	Very high	91.9	Very high	154 Å²	154	63.5 Å²	63.5	67%	0.67	33%	0.325	S	S	*	.			trans	-61.7	141.9	172.8	-65.8	-178.7	-178.5	178.2	0	109.9	S571 D572 A573	K569-S571 PolarHBondContact O-N 3.21Å; K569-S571 VanDerWaalsContact O-N 3.1Å; K569-D572 PolarHBondContact O-N 2.69Å; K569-A573 PolarHBondContact O-N 3.47Å
570	E	90.6	Very high	91.7	Very high	93 Å²	93	64.5 Å²	64.5	44%	0.435	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.4	-176.6	-162	61.5	-134	0	0	112.8	D572 Y584 R591	E570-D572 VanDerWaalsContact C-N 3.3Å; E570-D572 PolarHBondContact O-N 3.36Å; E570-Y584 PolarHBondContact OE1-OH 2.78Å; E570-R591 IonicContact OE2-CZ 2.62Å; E570-R591 IonicContact OE2-NH1 3.14Å; E570-R591 PolarHBondContact OE2-NH1 3.38Å; E570-R591 IonicContact OE2-NH2 2.91Å
571	S	90.5	Very high	91.3	Very high	92 Å²	92	64.6 Å²	64.6	64%	0.643	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-35.7	172.7	58	0	0	0	0	113.4	K569	K569-S571 PolarHBondContact O-N 3.21Å; K569-S571 VanDerWaalsContact O-N 3.1Å
572	D	93.4	Very high	91.1	Very high	83 Å²	83	64.9 Å²	64.9	44%	0.444	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-9.7	-172.7	-52.7	-26	0	0	0	111.6	V568 K569 E570 K574 T575 W576	V568-D572 HydrophobicContact CG1-CB 4.02Å; K569-D572 PolarHBondContact O-N 2.69Å; E570-D572 VanDerWaalsContact C-N 3.3Å; E570-D572 PolarHBondContact O-N 3.36Å; D572-K574 PolarHBondContact O-N 3.34Å; D572-T575 WeakPolarHBondContact O-CB 3.35Å; D572-T575 PolarHBondContact O-N 3.04Å; D572-T575 VanDerWaalsContact O-N 3.12Å; D572-W576 WeakPolarHBondContact O-CB 3.19Å; D572-W576 PolarHBondContact O-N 3.29Å
573	A	90.9	Very high	90.6	Very high	0 Å²	0	66 Å²	66	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-56.9	-43.5	-171.7	0	0	0	0	0	113.2	F565 V568 K569 W576 C577 Y584	F565-A573 HydrophobicContact CE2-CB 3.89Å; F565-A573 HydrophobicContact CZ-CB 4.33Å; V568-A573 HydrophobicContact CG1-CB 4.39Å; K569-A573 PolarHBondContact O-N 3.47Å; A573-W576 PolarHBondContact O-N 3.32Å; A573-C577 WeakPolarHBondContact O-CB 3.44Å; A573-C577 PolarHBondContact O-N 3.04Å; A573-C577 PolarHBondContact O-SG 2.96Å; A573-Y584 HydrophobicContact CB-CD2 4.07Å; A573-Y584 HydrophobicContact CB-CE2 3.63Å
574	K	88.7	Confident	90.3	Very high	134 Å²	134	65.8 Å²	65.8	58%	0.583	33%	0.333	S	S	*	.	H	α-helix	trans	-64.9	-44.2	177.4	-69.9	179.1	-176.2	170.1	0	112	D572 W576 C577 L578 Y584	D572-K574 PolarHBondContact O-N 3.34Å; K574-W576 VanDerWaalsContact C-N 3.34Å; K574-C577 PolarHBondContact O-N 2.95Å; K574-L578 WeakPolarHBondContact O-CG 3.49Å; K574-L578 PolarHBondContact O-N 3.29Å; K574-Y584 HydrophobicContact CG-CD1 3.98Å; K574-Y584 HydrophobicContact CG-CD2 4.2Å; K574-Y584 HydrophobicContact CG-CE1 4.05Å; K574-Y584 HydrophobicContact CG-CE2 4.27Å; K574-Y584 HydrophobicContact CG-CG 4.05Å
575	T	91	Very high	89.7	Confident	88 Å²	88	68.5 Å²	68.5	54%	0.54	34%	0.337	S	S	.	.	H	α-helix	trans	-63.5	-42.8	177.6	-52.1	0	0	0	0	110.6	D572 C577 L578 T579	D572-T575 WeakPolarHBondContact O-CB 3.35Å; D572-T575 PolarHBondContact O-N 3.04Å; D572-T575 VanDerWaalsContact O-N 3.12Å; T575-C577 VanDerWaalsContact C-N 3.35Å; T575-C577 PolarHBondContact O-N 3.38Å; T575-L578 PolarHBondContact O-N 3.28Å; T575-T579 PolarHBondContact O-N 2.92Å; T575-T579 PolarHBondContact O-OG1 2.95Å; T575-T579 VanDerWaalsContact O-OG1 3.05Å
576	W	93.3	Very high	89.3	Confident	41 Å²	41	69.1 Å²	69.1	16%	0.155	34%	0.34	C	S	.	.	H	α-helix	trans	-60.8	-43.6	175.7	-175	96.2	0	0	0	112	F548 M561 A564 F565 V568 D572 A573 K574 T579 H580 V582 L587	F548-W576 HydrophobicContact CZ-CH2 4.27Å; F548-W576 AromaticContact CZ-CZ2 3.87Å; F548-W576 HydrophobicContact CZ-CZ2 3.87Å; M561-W576 HydrophobicContact CG-CH2 4.42Å; M561-W576 HydrophobicContact SD-CH2 3.7Å; M561-W576 HydrophobicContact SD-CZ3 4.42Å; A564-W576 HydrophobicContact CB-CH2 4.43Å; A564-W576 HydrophobicContact CB-CZ2 3.9Å; F565-W576 HydrophobicContact CB-CE3 4.38Å; F565-W576 HydrophobicContact CB-CH2 3.89Å; F565-W576 HydrophobicContact CB-CZ3 3.73Å; F565-W576 AromaticContact CD2-CE3 3.73Å; F565-W576 HydrophobicContact CD2-CE3 3.73Å; F565-W576 AromaticContact CD2-CZ3 3.78Å; F565-W576 HydrophobicContact CD2-CZ3 3.78Å; F565-W576 HydrophobicContact CG-CZ3 4.2Å; V568-W576 HydrophobicContact CG1-CB 3.95Å; V568-W576 HydrophobicContact CG1-CG 4.24Å; V568-W576 HydrophobicContact CG2-CB 4.3Å; V568-W576 HydrophobicContact CG2-CD2 3.94Å; V568-W576 HydrophobicContact CG2-CG 3.7Å; D572-W576 WeakPolarHBondContact O-CB 3.19Å; D572-W576 PolarHBondContact O-N 3.29Å; A573-W576 PolarHBondContact O-N 3.32Å; K574-W576 VanDerWaalsContact C-N 3.34Å; W576-T579 PolarHBondContact O-N 2.97Å; W576-H580 AromaticContact CD1-CE1 3.55Å; W576-H580 AromaticContact CD1-ND1 3.67Å; W576-H580 AromaticContact CD2-ND1 3.48Å; W576-H580 AromaticContact CE2-CE1 3.54Å; W576-H580 AromaticContact CE2-ND1 3.34Å; W576-H580 VanDerWaalsContact CE2-ND1 3.34Å; W576-H580 AromaticContact CG-ND1 3.7Å; W576-H580 AromaticContact CZ2-ND1 3.88Å; W576-H580 AromaticContact NE1-CE1 3.2Å; W576-H580 PolarHBondContact NE1-CE1 3.48Å; W576-H580 AromaticContact NE1-ND1 3.45Å; W576-H580 PolarHBondContact NE1-ND1 3.49Å; W576-H580 PolarHBondContact O-N 3.46Å; W576-H580 PolarHBondContact O-ND1 3.06Å; W576-V582 HydrophobicContact CE3-CG2 4.16Å; W576-V582 HydrophobicContact CZ3-CG2 3.66Å; W576-L587 HydrophobicContact CZ3-CD1 4.14Å
577	C	89.7	Confident	89.2	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.014	32%	0.322	C	S	.	.	H	α-helix	trans	-63.3	-41.7	177.5	-72.6	0	0	0	0	112.7	F565 A573 K574 T575 H580 F581 V582 Y584	F565-C577 VanDerWaalsContact CE2-SG 3.57Å; A573-C577 WeakPolarHBondContact O-CB 3.44Å; A573-C577 PolarHBondContact O-N 3.04Å; A573-C577 PolarHBondContact O-SG 2.96Å; K574-C577 PolarHBondContact O-N 2.95Å; T575-C577 VanDerWaalsContact C-N 3.35Å; T575-C577 PolarHBondContact O-N 3.38Å; C577-H580 PolarHBondContact O-N 3.01Å; C577-F581 PolarHBondContact O-N 2.84Å; C577-V582 HydrophobicContact CB-CG2 4Å; C577-V582 WeakPolarHBondContact CB-O 3.37Å; C577-V582 PolarHBondContact O-N 3.35Å; C577-Y584 WeakPolarHBondContact SG-CA 3.48Å
578	L	85	Confident	89.1	Confident	134 Å²	134	58.9 Å²	58.9	70%	0.702	30%	0.296	S	S	*	.	H	α-helix	trans	-60.4	-48.7	173.8	-73.2	168.4	0	0	0	111.1	K574 T575 H580 F581	K574-L578 WeakPolarHBondContact O-CG 3.49Å; K574-L578 PolarHBondContact O-N 3.29Å; T575-L578 PolarHBondContact O-N 3.28Å; L578-H580 VanDerWaalsContact C-N 3.28Å; L578-H580 PolarHBondContact O-N 3.22Å; L578-F581 PolarHBondContact O-N 3.4Å
579	T	89	Confident	88.8	Confident	70 Å²	70	59.1 Å²	59.1	43%	0.429	30%	0.296	S	S	.	.	H	α-helix	trans	-60.8	-36	179.4	-61.3	0	0	0	0	112.6	Q544 T575 W576	Q544-T579 VanDerWaalsContact CG-O 3.3Å; Q544-T579 WeakPolarHBondContact CG-O 3.17Å; T575-T579 PolarHBondContact O-N 2.92Å; T575-T579 PolarHBondContact O-OG1 2.95Å; T575-T579 VanDerWaalsContact O-OG1 3.05Å; W576-T579 PolarHBondContact O-N 2.97Å
580	H	89.4	Confident	88.9	Confident	21 Å²	21	51.8 Å²	51.8	10%	0.097	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	6.4	-177.4	-66	91.5	0	0	0	114.1	F548 W576 C577 L578 V582	F548-H580 AromaticContact CE2-CD2 3.63Å; W576-H580 AromaticContact CD1-CE1 3.55Å; W576-H580 AromaticContact CD1-ND1 3.67Å; W576-H580 AromaticContact CD2-ND1 3.48Å; W576-H580 AromaticContact CE2-CE1 3.54Å; W576-H580 AromaticContact CE2-ND1 3.34Å; W576-H580 VanDerWaalsContact CE2-ND1 3.34Å; W576-H580 AromaticContact CG-ND1 3.7Å; W576-H580 AromaticContact CZ2-ND1 3.88Å; W576-H580 AromaticContact NE1-CE1 3.2Å; W576-H580 PolarHBondContact NE1-CE1 3.48Å; W576-H580 AromaticContact NE1-ND1 3.45Å; W576-H580 PolarHBondContact NE1-ND1 3.49Å; W576-H580 PolarHBondContact O-N 3.46Å; W576-H580 PolarHBondContact O-ND1 3.06Å; C577-H580 PolarHBondContact O-N 3.01Å; L578-H580 VanDerWaalsContact C-N 3.28Å; L578-H580 PolarHBondContact O-N 3.22Å; H580-V582 VanDerWaalsContact C-N 3.29Å; H580-V582 HydrophobicContact CB-CG2 4.19Å; H580-V582 PolarHBondContact O-N 3.02Å
581	F	85.8	Confident	89.1	Confident	56 Å²	56	51.2 Å²	51.2	25%	0.246	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	46	-177.2	-56.3	-86.5	0	0	0	112.6	T533 A540 V541 Q544 C577 L578	T533-F581 WeakPolarHBondContact CA-O 3.27Å; T533-F581 PolarHBondContact N-O 2.81Å; T533-F581 WeakPolarHBondContact OG1-CA 3.47Å; T533-F581 PolarHBondContact OG1-O 3.21Å; A540-F581 HydrophobicContact CB-CE2 4.17Å; A540-F581 HydrophobicContact CB-CZ 3.92Å; A540-F581 WeakPolarHBondContact O-CE2 3.49Å; V541-F581 HydrophobicContact CB-CD2 4.33Å; V541-F581 HydrophobicContact CB-CG 4.45Å; V541-F581 HydrophobicContact CG2-CB 4.3Å; V541-F581 HydrophobicContact CG2-CD1 3.69Å; V541-F581 HydrophobicContact CG2-CD2 3.94Å; V541-F581 HydrophobicContact CG2-CE1 3.88Å; V541-F581 HydrophobicContact CG2-CE2 4.12Å; V541-F581 HydrophobicContact CG2-CG 3.72Å; V541-F581 HydrophobicContact CG2-CZ 4.08Å; Q544-F581 HydrophobicContact CB-CD2 4.15Å; Q544-F581 HydrophobicContact CG-CD2 3.95Å; Q544-F581 HydrophobicContact CG-CE2 3.88Å; C577-F581 PolarHBondContact O-N 2.84Å; L578-F581 PolarHBondContact O-N 3.4Å
582	V	88.2	Confident	89.1	Confident	7 Å²	7	51.3 Å²	51.3	4%	0.042	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-121.4	149.9	175	-67.3	0	0	0	0	111.3	V531 Y532 M561 W576 C577 H580 Y584 L587	V531-V582 HydrophobicContact CG1-CB 4.17Å; V531-V582 HydrophobicContact CG1-CG1 4.3Å; V531-V582 CarbonylContact O-C 3.53Å; V531-V582 VanDerWaalsContact O-CA 3.27Å; V531-V582 WeakPolarHBondContact O-CA 3.29Å; Y532-V582 HydrophobicContact CD1-CG1 4.38Å; M561-V582 HydrophobicContact CE-CG1 3.91Å; M561-V582 HydrophobicContact CG-CG1 4.25Å; M561-V582 HydrophobicContact SD-CG1 3.83Å; W576-V582 HydrophobicContact CE3-CG2 4.16Å; W576-V582 HydrophobicContact CZ3-CG2 3.66Å; C577-V582 HydrophobicContact CB-CG2 4Å; C577-V582 WeakPolarHBondContact CB-O 3.37Å; C577-V582 PolarHBondContact O-N 3.35Å; H580-V582 VanDerWaalsContact C-N 3.29Å; H580-V582 HydrophobicContact CB-CG2 4.19Å; H580-V582 PolarHBondContact O-N 3.02Å; V582-Y584 PolarHBondContact O-N 3.2Å; V582-L587 HydrophobicContact CB-CD1 4.21Å; V582-L587 HydrophobicContact CG2-CD1 3.77Å
583	N	85.5	Confident	89.1	Confident	34 Å²	34	47.4 Å²	47.4	18%	0.182	23%	0.226	C	C	.	.			trans	-80.9	107.3	-178.9	-170.8	-44.4	0	0	0	110.1	V531 T533 R585 H586 L587	V531-N583 PolarHBondContact O-N 3.13Å; T533-N583 HydrophobicContact CG2-CB 3.85Å; N583-R585 PolarHBondContact O-N 2.77Å; N583-R585 WeakPolarHBondContact OD1-CB 3.42Å; N583-R585 PolarHBondContact OD1-N 2.89Å; N583-H586 HydrophobicContact CB-CB 4.07Å; N583-H586 PolarHBondContact O-N 3.49Å; N583-H586 PolarHBondContact OD1-N 3.4Å; N583-L587 PolarHBondContact O-N 2.89Å; N583-L587 VanDerWaalsContact O-N 3.1Å
584	Y	87.5	Confident	89.4	Confident	55 Å²	55	49.6 Å²	49.6	22%	0.216	23%	0.234	C	C	.	.	H	α-helix	trans	-51	-41.7	177.2	169.7	-105.1	0	0	0	112.7	F565 E570 A573 K574 C577 V582 L587 V588	F565-Y584 AromaticContact CE2-CD2 3.99Å; F565-Y584 HydrophobicContact CE2-CD2 3.99Å; F565-Y584 HydrophobicContact CE2-CE2 4.35Å; F565-Y584 AromaticContact CZ-CD2 3.92Å; F565-Y584 HydrophobicContact CZ-CD2 3.92Å; F565-Y584 HydrophobicContact CZ-CE2 4.01Å; E570-Y584 PolarHBondContact OE1-OH 2.78Å; A573-Y584 HydrophobicContact CB-CD2 4.07Å; A573-Y584 HydrophobicContact CB-CE2 3.63Å; K574-Y584 HydrophobicContact CG-CD1 3.98Å; K574-Y584 HydrophobicContact CG-CD2 4.2Å; K574-Y584 HydrophobicContact CG-CE1 4.05Å; K574-Y584 HydrophobicContact CG-CE2 4.27Å; K574-Y584 HydrophobicContact CG-CG 4.05Å; C577-Y584 WeakPolarHBondContact SG-CA 3.48Å; V582-Y584 PolarHBondContact O-N 3.2Å; Y584-L587 PolarHBondContact O-N 2.99Å; Y584-V588 HydrophobicContact CD1-CG2 4.43Å; Y584-V588 HydrophobicContact CD2-CG2 4.26Å; Y584-V588 HydrophobicContact CE1-CG2 3.98Å; Y584-V588 HydrophobicContact CE2-CG2 3.78Å; Y584-V588 WeakPolarHBondContact O-CG2 3.37Å; Y584-V588 PolarHBondContact O-N 3.28Å
585	R	80.7	Confident	89.7	Confident	89 Å²	89	46.1 Å²	46.1	34%	0.336	23%	0.226	S	C	.	.	H	α-helix	trans	-71.9	-36.5	-177.1	-66.7	-174.8	174.5	120.5	-1.6	112.4	S328 E331 N583 L587 V588 M589	S328-R585 VanDerWaalsContact OG-CD 3.26Å; S328-R585 WeakPolarHBondContact OG-CD 3.46Å; S328-R585 PolarHBondContact OG-NH1 2.85Å; E331-R585 VanDerWaalsContact CD-NH1 3.32Å; E331-R585 IonicContact OE1-NH1 2.8Å; E331-R585 PolarHBondContact OE1-NH1 2.92Å; E331-R585 IonicContact OE2-NH1 3.2Å; N583-R585 PolarHBondContact O-N 2.77Å; N583-R585 WeakPolarHBondContact OD1-CB 3.42Å; N583-R585 PolarHBondContact OD1-N 2.89Å; R585-L587 VanDerWaalsContact C-N 3.3Å; R585-V588 PolarHBondContact O-N 2.8Å; R585-M589 WeakPolarHBondContact O-CB 3.35Å; R585-M589 PolarHBondContact O-N 3.3Å
586	H	86.7	Confident	89.9	Confident	14 Å²	14	45 Å²	45	7%	0.065	22%	0.215	C	C	.	.	H	α-helix	trans	-65.5	-35	172.4	-66.2	163.2	0	0	0	111.8	T326 A528 N530 V531 N583 M589 A590	T326-H586 PolarHBondContact O-CE1 2.95Å; T326-H586 PolarHBondContact O-NE2 3.27Å; A528-H586 WeakPolarHBondContact CB-O 3.47Å; A528-H586 PolarHBondContact O-CD2 2.85Å; N530-H586 PolarHBondContact O-CE1 3.42Å; N530-H586 PolarHBondContact O-ND1 2.95Å; V531-H586 HydrophobicContact CG2-CB 4.14Å; N583-H586 HydrophobicContact CB-CB 4.07Å; N583-H586 PolarHBondContact O-N 3.49Å; N583-H586 PolarHBondContact OD1-N 3.4Å; H586-M589 PolarHBondContact O-N 2.72Å; H586-A590 WeakPolarHBondContact O-CB 3.43Å; H586-A590 PolarHBondContact O-N 3.42Å
587	L	91.5	Very high	90	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-68.2	-40.4	173.9	-70.8	170.1	0	0	0	112.5	M525 V531 Y562 F565 W576 V582 N583 Y584 R585 M589 A590 R591	M525-L587 HydrophobicContact CE-CD2 3.81Å; M525-L587 HydrophobicContact SD-CD2 3.83Å; V531-L587 HydrophobicContact CG1-CD1 4.49Å; V531-L587 HydrophobicContact CG1-CD2 3.76Å; V531-L587 HydrophobicContact CG1-CG 3.91Å; Y562-L587 HydrophobicContact CD2-CD2 4.34Å; F565-L587 HydrophobicContact CB-CD1 4.22Å; F565-L587 HydrophobicContact CD1-CB 3.8Å; F565-L587 HydrophobicContact CD1-CD1 4.15Å; F565-L587 HydrophobicContact CD1-CD2 4.45Å; F565-L587 HydrophobicContact CD1-CG 4.36Å; F565-L587 HydrophobicContact CD2-CD1 3.77Å; F565-L587 HydrophobicContact CE1-CB 3.59Å; F565-L587 HydrophobicContact CE1-CD1 4.48Å; F565-L587 HydrophobicContact CE2-CB 4.41Å; F565-L587 HydrophobicContact CE2-CD1 4.12Å; F565-L587 HydrophobicContact CG-CB 4.29Å; F565-L587 HydrophobicContact CG-CD1 3.78Å; F565-L587 HydrophobicContact CG-CG 4.45Å; F565-L587 HydrophobicContact CZ-CB 3.92Å; F565-L587 HydrophobicContact CZ-CD1 4.46Å; W576-L587 HydrophobicContact CZ3-CD1 4.14Å; V582-L587 HydrophobicContact CB-CD1 4.21Å; V582-L587 HydrophobicContact CG2-CD1 3.77Å; N583-L587 PolarHBondContact O-N 2.89Å; N583-L587 VanDerWaalsContact O-N 3.1Å; Y584-L587 PolarHBondContact O-N 2.99Å; R585-L587 VanDerWaalsContact C-N 3.3Å; L587-M589 VanDerWaalsContact C-N 3.34Å; L587-A590 PolarHBondContact O-N 3.33Å; L587-R591 PolarHBondContact O-N 3.48Å
588	V	89.9	Confident	90.4	Very high	43 Å²	43	47.7 Å²	47.7	26%	0.261	23%	0.225	S	C	.	.	H	α-helix	trans	-63.1	-41.4	172.2	172.2	0	0	0	0	111	Y584 R585 R591 K592	Y584-V588 HydrophobicContact CD1-CG2 4.43Å; Y584-V588 HydrophobicContact CD2-CG2 4.26Å; Y584-V588 HydrophobicContact CE1-CG2 3.98Å; Y584-V588 HydrophobicContact CE2-CG2 3.78Å; Y584-V588 WeakPolarHBondContact O-CG2 3.37Å; Y584-V588 PolarHBondContact O-N 3.28Å; R585-V588 PolarHBondContact O-N 2.8Å; V588-R591 WeakPolarHBondContact O-CB 3.39Å; V588-R591 PolarHBondContact O-N 3.43Å; V588-K592 PolarHBondContact O-N 3Å; V588-K592 VanDerWaalsContact O-N 3.07Å
589	M	86.8	Confident	90.9	Very high	31 Å²	31	45.2 Å²	45.2	15%	0.153	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-45.8	174	-173.7	68.1	-161.9	0	0	111	F155 A528 R585 H586 L587 R591 K592 I593	F155-M589 HydrophobicContact CB-CE 3.66Å; F155-M589 HydrophobicContact CD2-CE 3.97Å; F155-M589 HydrophobicContact CG-CE 4.26Å; A528-M589 HydrophobicContact CB-CB 4.33Å; A528-M589 HydrophobicContact CB-CG 4.35Å; R585-M589 WeakPolarHBondContact O-CB 3.35Å; R585-M589 PolarHBondContact O-N 3.3Å; H586-M589 PolarHBondContact O-N 2.72Å; L587-M589 VanDerWaalsContact C-N 3.34Å; M589-R591 VanDerWaalsContact C-N 3.25Å; M589-R591 PolarHBondContact O-N 3.04Å; M589-K592 WeakPolarHBondContact O-CB 3.29Å; M589-K592 PolarHBondContact O-N 3.32Å; M589-K592 VanDerWaalsContact O-N 3.07Å; M589-I593 HydrophobicContact CE-CD1 3.92Å; M589-I593 HydrophobicContact CE-CG1 3.79Å; M589-I593 HydrophobicContact CG-CD1 3.99Å; M589-I593 HydrophobicContact CG-CG1 4.36Å; M589-I593 VanDerWaalsContact O-CG1 3.31Å; M589-I593 WeakPolarHBondContact O-CG1 3.39Å; M589-I593 PolarHBondContact O-N 2.99Å
590	A	93.3	Very high	91.1	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-57.1	-40.4	175.1	0	0	0	0	0	111.2	M525 A528 Y562 H586 L587 K592 I593 R594	M525-A590 HydrophobicContact CG-CB 4.45Å; M525-A590 HydrophobicContact SD-CB 3.71Å; A528-A590 HydrophobicContact CB-CB 3.81Å; Y562-A590 HydrophobicContact CD2-CB 4.25Å; Y562-A590 HydrophobicContact CE2-CB 4.04Å; H586-A590 WeakPolarHBondContact O-CB 3.43Å; H586-A590 PolarHBondContact O-N 3.42Å; L587-A590 PolarHBondContact O-N 3.33Å; A590-K592 PolarHBondContact O-N 3.26Å; A590-I593 PolarHBondContact O-N 3.21Å; A590-R594 WeakPolarHBondContact O-CB 3.37Å; A590-R594 PolarHBondContact O-N 3.41Å
591	R	94.2	Very high	91.5	Very high	81 Å²	81	43 Å²	43	31%	0.306	20%	0.198	S	C	.	.	H	α-helix	trans	-59.4	-45.4	173.9	-169.4	-173.8	-69.7	167.7	-3.4	112	Y562 E570 L587 V588 M589 S595	Y562-R591 HydrophobicContact CE2-CB 4.47Å; Y562-R591 WeakPolarHBondContact OH-CA 3.24Å; E570-R591 IonicContact OE2-CZ 2.62Å; E570-R591 IonicContact OE2-NH1 3.14Å; E570-R591 PolarHBondContact OE2-NH1 3.38Å; E570-R591 IonicContact OE2-NH2 2.91Å; L587-R591 PolarHBondContact O-N 3.48Å; V588-R591 WeakPolarHBondContact O-CB 3.39Å; V588-R591 PolarHBondContact O-N 3.43Å; M589-R591 VanDerWaalsContact C-N 3.25Å; M589-R591 PolarHBondContact O-N 3.04Å; R591-S595 PolarHBondContact O-N 3.42Å
592	K	91.5	Very high	92	Very high	95 Å²	95	45.1 Å²	45.1	41%	0.413	21%	0.209	S	C	.	.	H	α-helix	trans	-60.9	-50.4	174.3	-73.8	-173.2	168.8	-167.2	0	112	D156 V588 M589 A590 R594 S595 Q596	D156-K592 IonicContact OD1-NZ 3.88Å; D156-K592 PolarHBondContact OD1-NZ 3.01Å; V588-K592 PolarHBondContact O-N 3Å; V588-K592 VanDerWaalsContact O-N 3.07Å; M589-K592 WeakPolarHBondContact O-CB 3.29Å; M589-K592 PolarHBondContact O-N 3.32Å; M589-K592 VanDerWaalsContact O-N 3.07Å; A590-K592 PolarHBondContact O-N 3.26Å; K592-R594 VanDerWaalsContact C-N 3.34Å; K592-R594 PolarHBondContact O-N 3.48Å; K592-S595 WeakPolarHBondContact O-CB 3.3Å; K592-S595 PolarHBondContact O-N 3.02Å; K592-Q596 PolarHBondContact O-N 2.97Å; K592-Q596 VanDerWaalsContact O-N 3.08Å
593	I	93.4	Very high	92.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.2	-48.9	180	-64.3	174.7	0	0	0	110.3	F155 A524 A528 M589 A590 S595 Q596 L597	F155-I593 HydrophobicContact CB-CG1 4.08Å; F155-I593 HydrophobicContact CD1-CB 4.35Å; F155-I593 HydrophobicContact CD1-CG1 4.09Å; F155-I593 HydrophobicContact CD1-CG2 4.14Å; F155-I593 HydrophobicContact CD2-CB 4.5Å; F155-I593 HydrophobicContact CD2-CD1 3.81Å; F155-I593 HydrophobicContact CD2-CG1 3.51Å; F155-I593 HydrophobicContact CD2-CG2 4.45Å; F155-I593 HydrophobicContact CE1-CB 4.4Å; F155-I593 HydrophobicContact CE1-CG1 4.37Å; F155-I593 HydrophobicContact CE1-CG2 3.7Å; F155-I593 HydrophobicContact CE2-CD1 3.83Å; F155-I593 HydrophobicContact CE2-CG1 3.8Å; F155-I593 HydrophobicContact CE2-CG2 4.01Å; F155-I593 HydrophobicContact CG-CB 4.41Å; F155-I593 HydrophobicContact CG-CD1 4.46Å; F155-I593 HydrophobicContact CG-CG1 3.66Å; F155-I593 HydrophobicContact CZ-CB 4.47Å; F155-I593 HydrophobicContact CZ-CG1 4.23Å; F155-I593 HydrophobicContact CZ-CG2 3.62Å; A524-I593 HydrophobicContact CB-CB 4Å; A524-I593 HydrophobicContact CB-CG2 3.77Å; A528-I593 HydrophobicContact CB-CD1 4.14Å; M589-I593 HydrophobicContact CE-CD1 3.92Å; M589-I593 HydrophobicContact CE-CG1 3.79Å; M589-I593 HydrophobicContact CG-CD1 3.99Å; M589-I593 HydrophobicContact CG-CG1 4.36Å; M589-I593 VanDerWaalsContact O-CG1 3.31Å; M589-I593 WeakPolarHBondContact O-CG1 3.39Å; M589-I593 PolarHBondContact O-N 2.99Å; A590-I593 PolarHBondContact O-N 3.21Å; I593-S595 VanDerWaalsContact C-N 3.3Å; I593-S595 PolarHBondContact O-N 2.74Å; I593-Q596 PolarHBondContact O-N 2.89Å; I593-Q596 VanDerWaalsContact O-N 3.15Å; I593-L597 HydrophobicContact CG2-CD1 3.8Å; I593-L597 HydrophobicContact CG2-CG 4.16Å; I593-L597 WeakPolarHBondContact O-CG 3.43Å; I593-L597 PolarHBondContact O-N 2.9Å
594	R	96.5	Very high	92.7	Very high	47 Å²	47	49.8 Å²	49.8	18%	0.177	25%	0.245	C	C	.	.	H	α-helix	trans	-56.9	-43.8	178.1	-168.9	-159.3	-179.3	-67.2	7.8	111.5	E517 I520 T521 A524 Y562 A590 K592 Q596 L597 R598	E517-R594 IonicContact OE2-CZ 3.18Å; E517-R594 IonicContact OE2-NH1 3.28Å; E517-R594 PolarHBondContact OE2-NH1 2.85Å; E517-R594 IonicContact OE2-NH2 3.73Å; E517-R594 PolarHBondContact OE2-NH2 3.35Å; I520-R594 HydrophobicContact CG2-CB 4.46Å; I520-R594 HydrophobicContact CG2-CG 3.76Å; T521-R594 PolarHBondContact OG1-NE 2.85Å; A524-R594 HydrophobicContact CB-CB 3.8Å; Y562-R594 WeakPolarHBondContact OH-CD 3.48Å; A590-R594 WeakPolarHBondContact O-CB 3.37Å; A590-R594 PolarHBondContact O-N 3.41Å; K592-R594 VanDerWaalsContact C-N 3.34Å; K592-R594 PolarHBondContact O-N 3.48Å; R594-Q596 PolarHBondContact O-N 2.67Å; R594-L597 PolarHBondContact O-N 3.17Å; R594-R598 VanDerWaalsContact O-CB 3.3Å; R594-R598 WeakPolarHBondContact O-CB 3.34Å; R594-R598 PolarHBondContact O-N 3.38Å
595	S	95.6	Very high	93.1	Very high	60 Å²	60	56.4 Å²	56.4	42%	0.42	28%	0.275	S	S	.	.	H	α-helix	trans	-60.6	-44.4	176.9	-167.1	0	0	0	0	111.7	R591 K592 I593 R598 N599	R591-S595 PolarHBondContact O-N 3.42Å; K592-S595 WeakPolarHBondContact O-CB 3.3Å; K592-S595 PolarHBondContact O-N 3.02Å; I593-S595 VanDerWaalsContact C-N 3.3Å; I593-S595 PolarHBondContact O-N 2.74Å; S595-R598 WeakPolarHBondContact O-CB 3.46Å; S595-R598 PolarHBondContact O-N 3.17Å; S595-N599 VanDerWaalsContact O-CG 3.24Å; S595-N599 PolarHBondContact O-N 3.14Å; S595-N599 PolarHBondContact O-OD1 3.05Å
596	Q	93.5	Very high	93.8	Very high	66 Å²	66	53 Å²	53	31%	0.308	26%	0.263	S	S	.	.	H	α-helix	trans	-69.2	-41.6	179.8	-67.5	-173.6	19.2	0	0	112.7	F155 K592 I593 R594 R598 N599 N600	F155-Q596 VanDerWaalsContact C-NE2 3.25Å; F155-Q596 VanDerWaalsContact CA-OE1 3.26Å; F155-Q596 HydrophobicContact CD1-CB 4.37Å; F155-Q596 PolarHBondContact O-NE2 3.5Å; K592-Q596 PolarHBondContact O-N 2.97Å; K592-Q596 VanDerWaalsContact O-N 3.08Å; I593-Q596 PolarHBondContact O-N 2.89Å; I593-Q596 VanDerWaalsContact O-N 3.15Å; R594-Q596 PolarHBondContact O-N 2.67Å; Q596-R598 VanDerWaalsContact C-N 3.26Å; Q596-R598 PolarHBondContact O-N 2.52Å; Q596-N599 WeakPolarHBondContact O-CB 3.41Å; Q596-N599 PolarHBondContact O-N 2.83Å; Q596-N600 VanDerWaalsContact O-CG 3.32Å; Q596-N600 PolarHBondContact O-N 3.2Å
597	L	96.5	Very high	94.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.4	-37.9	174.8	-68.7	177.7	0	0	0	111.5	F497 V499 I507 I520 V523 I593 R594 N600 C601	F497-L597 HydrophobicContact CD1-CD2 3.94Å; V499-L597 HydrophobicContact CG1-CD2 3.87Å; I507-L597 HydrophobicContact CD1-CD1 4.1Å; I507-L597 HydrophobicContact CD1-CD2 4.19Å; I520-L597 HydrophobicContact CG2-CB 3.64Å; I520-L597 HydrophobicContact CG2-CD1 4.16Å; V523-L597 HydrophobicContact CB-CD1 4.37Å; V523-L597 HydrophobicContact CG1-CD1 3.91Å; I593-L597 HydrophobicContact CG2-CD1 3.8Å; I593-L597 HydrophobicContact CG2-CG 4.16Å; I593-L597 WeakPolarHBondContact O-CG 3.43Å; I593-L597 PolarHBondContact O-N 2.9Å; R594-L597 PolarHBondContact O-N 3.17Å; L597-N600 PolarHBondContact O-N 3Å; L597-C601 PolarHBondContact O-N 3.38Å; L597-C601 PolarHBondContact O-SG 3.38Å; L597-C601 VanDerWaalsContact O-SG 3.33Å
598	R	97.1	Very high	94.5	Very high	99 Å²	99	57.4 Å²	57.4	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-63.2	-44.3	173.7	-169.3	176	-177.2	-122.5	-3.6	111.8	E517 R594 S595 Q596 N600 C601 Q602 L608	E517-R598 IonicContact OE1-CZ 2.79Å; E517-R598 IonicContact OE1-NE 3.01Å; E517-R598 PolarHBondContact OE1-NE 3.29Å; E517-R598 IonicContact OE1-NH2 3.95Å; R594-R598 VanDerWaalsContact O-CB 3.3Å; R594-R598 WeakPolarHBondContact O-CB 3.34Å; R594-R598 PolarHBondContact O-N 3.38Å; S595-R598 WeakPolarHBondContact O-CB 3.46Å; S595-R598 PolarHBondContact O-N 3.17Å; Q596-R598 VanDerWaalsContact C-N 3.26Å; Q596-R598 PolarHBondContact O-N 2.52Å; R598-N600 VanDerWaalsContact C-N 3.33Å; R598-N600 PolarHBondContact O-N 3.04Å; R598-C601 WeakPolarHBondContact O-CB 3.3Å; R598-C601 PolarHBondContact O-N 3.25Å; R598-Q602 WeakPolarHBondContact O-CG 3.22Å; R598-Q602 PolarHBondContact O-N 2.67Å; R598-L608 HydrophobicContact CG-CD1 3.39Å; R598-L608 HydrophobicContact CG-CD2 3.83Å; R598-L608 HydrophobicContact CG-CG 4.25Å
599	N	95.8	Very high	94.8	Very high	81 Å²	81	58.7 Å²	58.7	43%	0.433	30%	0.295	S	S	.	.	H	α-helix	trans	-61.3	-41.6	175.2	-66.1	-4.7	0	0	0	111.5	S595 Q596 C601 Q602 A603	S595-N599 VanDerWaalsContact O-CG 3.24Å; S595-N599 PolarHBondContact O-N 3.14Å; S595-N599 PolarHBondContact O-OD1 3.05Å; Q596-N599 WeakPolarHBondContact O-CB 3.41Å; Q596-N599 PolarHBondContact O-N 2.83Å; N599-C601 PolarHBondContact O-N 2.93Å; N599-Q602 WeakPolarHBondContact O-CB 3.26Å; N599-Q602 PolarHBondContact O-N 3.27Å; N599-A603 PolarHBondContact O-N 2.9Å
600	N	94.3	Very high	95.2	Very high	44 Å²	44	60.1 Å²	60.1	24%	0.235	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-44	174.6	-68.3	-14.6	0	0	0	111.5	F497 P498 Q596 L597 R598 Q602 A603 L604	F497-N600 HydrophobicContact CD1-CB 3.86Å; F497-N600 HydrophobicContact CE1-CB 3.64Å; F497-N600 HydrophobicContact CZ-CB 4.45Å; P498-N600 VanDerWaalsContact CD-ND2 3.29Å; P498-N600 WeakPolarHBondContact CD-ND2 3.5Å; Q596-N600 VanDerWaalsContact O-CG 3.32Å; Q596-N600 PolarHBondContact O-N 3.2Å; L597-N600 PolarHBondContact O-N 3Å; R598-N600 VanDerWaalsContact C-N 3.33Å; R598-N600 PolarHBondContact O-N 3.04Å; N600-Q602 VanDerWaalsContact C-N 3.3Å; N600-Q602 PolarHBondContact O-N 3.42Å; N600-A603 PolarHBondContact O-N 3.24Å; N600-L604 VanDerWaalsContact O-CB 3.31Å; N600-L604 WeakPolarHBondContact O-CB 3.36Å; N600-L604 WeakPolarHBondContact O-CD1 3.48Å; N600-L604 VanDerWaalsContact O-CG 3.23Å; N600-L604 WeakPolarHBondContact O-CG 3.37Å; N600-L604 PolarHBondContact O-N 3.22Å
601	C	96.8	Very high	95	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-58	-42.9	174.3	-73.1	0	0	0	0	111.9	I507 I520 L597 R598 N599 L604 K605 I606 L608	I507-C601 WeakPolarHBondContact CG2-SG 3.39Å; I520-C601 HydrophobicContact CD1-CB 4.49Å; L597-C601 PolarHBondContact O-N 3.38Å; L597-C601 PolarHBondContact O-SG 3.38Å; L597-C601 VanDerWaalsContact O-SG 3.33Å; R598-C601 WeakPolarHBondContact O-CB 3.3Å; R598-C601 PolarHBondContact O-N 3.25Å; N599-C601 PolarHBondContact O-N 2.93Å; C601-L604 CarbonylContact O-C 3.27Å; C601-L604 PolarHBondContact O-N 3.42Å; C601-K605 PolarHBondContact O-N 2.89Å; C601-I606 HydrophobicContact CB-CB 4.04Å; C601-I606 PolarHBondContact O-N 2.9Å; C601-L608 HydrophobicContact CB-CD2 3.85Å
602	Q	96.3	Very high	94.8	Very high	102 Å²	102	66.4 Å²	66.4	48%	0.477	34%	0.34	S	S	.	.	H	α-helix	trans	-62.8	-48.3	176.7	-69.9	172.2	-32.5	0	0	111.8	R598 N599 N600 L604 K605 L608	R598-Q602 WeakPolarHBondContact O-CG 3.22Å; R598-Q602 PolarHBondContact O-N 2.67Å; N599-Q602 WeakPolarHBondContact O-CB 3.26Å; N599-Q602 PolarHBondContact O-N 3.27Å; N600-Q602 VanDerWaalsContact C-N 3.3Å; N600-Q602 PolarHBondContact O-N 3.42Å; Q602-L604 PolarHBondContact O-N 3.47Å; Q602-K605 PolarHBondContact O-N 2.69Å; Q602-L608 HydrophobicContact CG-CD1 3.67Å
603	A	94.9	Very high	94.4	Very high	82 Å²	82	63.7 Å²	63.7	68%	0.678	34%	0.34	S	S	*	.	H	α-helix	trans	-59.6	-36.5	177.6	0	0	0	0	0	112.2	N599 N600 K605	N599-A603 PolarHBondContact O-N 2.9Å; N600-A603 PolarHBondContact O-N 3.24Å; A603-K605 VanDerWaalsContact C-N 3.32Å
604	L	95.1	Very high	94.2	Very high	57 Å²	57	67 Å²	67	30%	0.298	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	5.1	179	-62.5	168	0	0	0	113.5	T493 A496 F497 N600 C601 Q602 I606	T493-L604 HydrophobicContact CG2-CB 4.3Å; T493-L604 HydrophobicContact CG2-CD1 3.98Å; T493-L604 HydrophobicContact CG2-CD2 4.3Å; T493-L604 HydrophobicContact CG2-CG 4.42Å; A496-L604 HydrophobicContact CB-CD1 3.96Å; A496-L604 HydrophobicContact CB-CD2 4.12Å; F497-L604 HydrophobicContact CD2-CD1 4.11Å; F497-L604 HydrophobicContact CE1-CD1 4.36Å; F497-L604 HydrophobicContact CE2-CD1 3.44Å; F497-L604 VanDerWaalsContact CE2-CD1 3.44Å; F497-L604 HydrophobicContact CZ-CD1 3.6Å; N600-L604 VanDerWaalsContact O-CB 3.31Å; N600-L604 WeakPolarHBondContact O-CB 3.36Å; N600-L604 WeakPolarHBondContact O-CD1 3.48Å; N600-L604 VanDerWaalsContact O-CG 3.23Å; N600-L604 WeakPolarHBondContact O-CG 3.37Å; N600-L604 PolarHBondContact O-N 3.22Å; C601-L604 CarbonylContact O-C 3.27Å; C601-L604 PolarHBondContact O-N 3.42Å; Q602-L604 PolarHBondContact O-N 3.47Å; L604-I606 VanDerWaalsContact C-N 3.26Å; L604-I606 HydrophobicContact CB-CD1 4.16Å; L604-I606 HydrophobicContact CB-CG1 4.22Å; L604-I606 PolarHBondContact O-N 3.43Å
605	K	95.3	Very high	93.9	Very high	193 Å²	193	66.8 Å²	66.8	84%	0.839	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	33.6	-179.7	-54.3	-179.9	-180	-179.2	0	114	C601 Q602 A603	C601-K605 PolarHBondContact O-N 2.89Å; Q602-K605 PolarHBondContact O-N 2.69Å; A603-K605 VanDerWaalsContact C-N 3.32Å
606	I	96	Very high	93.6	Very high	18 Å²	18	66 Å²	66	9%	0.092	36%	0.364	C	S	.	.			trans	-85.9	126.3	172.7	-60.1	170.8	0	0	0	108.1	T493 F497 I508 C601 L604 L608	T493-I606 HydrophobicContact CG2-CD1 4.31Å; F497-I606 HydrophobicContact CE2-CD1 4.09Å; F497-I606 HydrophobicContact CZ-CD1 3.73Å; I508-I606 HydrophobicContact CG1-CD1 3.78Å; C601-I606 HydrophobicContact CB-CB 4.04Å; C601-I606 PolarHBondContact O-N 2.9Å; L604-I606 VanDerWaalsContact C-N 3.26Å; L604-I606 HydrophobicContact CB-CD1 4.16Å; L604-I606 HydrophobicContact CB-CG1 4.22Å; L604-I606 PolarHBondContact O-N 3.43Å; I606-L608 PolarHBondContact O-N 2.64Å
607	P	95.7	Very high	93.6	Very high	64 Å²	64	64.5 Å²	64.5	42%	0.416	36%	0.361	S	S	.	.			trans	-65.7	136.8	-176.8	27.8	-35.1	0	0	0	111.1	S516 L609	S516-P607 WeakPolarHBondContact CB-O 3.23Å; S516-P607 PolarHBondContact OG-O 3.39Å; P607-L609 HydrophobicContact CB-CD1 3.98Å; P607-L609 HydrophobicContact CB-CG 4.13Å; P607-L609 HydrophobicContact CG-CD1 4.34Å
608	L	96.2	Very high	93.4	Very high	42 Å²	42	64.5 Å²	64.5	22%	0.22	36%	0.361	C	S	.	.			trans	-97.2	100.1	176.2	-67.3	171.8	0	0	0	109	S516 I520 R598 C601 Q602 I606	S516-L608 WeakPolarHBondContact OG-CA 3.49Å; I520-L608 HydrophobicContact CD1-CD2 3.7Å; R598-L608 HydrophobicContact CG-CD1 3.39Å; R598-L608 HydrophobicContact CG-CD2 3.83Å; R598-L608 HydrophobicContact CG-CG 4.25Å; C601-L608 HydrophobicContact CB-CD2 3.85Å; Q602-L608 HydrophobicContact CG-CD1 3.67Å; I606-L608 PolarHBondContact O-N 2.64Å
609	L	96.2	Very high	93.2	Very high	70 Å²	70	60.3 Å²	60.3	37%	0.366	35%	0.346	S	S	.	.			trans	-132.2	149.2	-172.3	-62.5	171.3	0	0	0	109.3	Q514 C515 S516 E517 P607	Q514-L609 HydrophobicContact CB-CB 4.24Å; Q514-L609 HydrophobicContact CB-CD1 4.03Å; Q514-L609 HydrophobicContact CG-CD1 3.9Å; C515-L609 CarbonylContact C-O 3.57Å; S516-L609 PolarHBondContact N-O 3.26Å; S516-L609 VanDerWaalsContact N-O 3.09Å; S516-L609 PolarHBondContact OG-N 2.73Å; S516-L609 PolarHBondContact OG-O 2.72Å; E517-L609 PolarHBondContact N-O 2.84Å; P607-L609 HydrophobicContact CB-CD1 3.98Å; P607-L609 HydrophobicContact CB-CG 4.13Å; P607-L609 HydrophobicContact CG-CD1 4.34Å
610	S	94.4	Very high	93	Very high	61 Å²	61	61 Å²	61	43%	0.427	34%	0.343	S	S	.	.			trans	-116.8	135.8	176	131.2	0	0	0	0	109.7	Q514 E518 K612	Q514-S610 CarbonylContact O-C 3.47Å; Q514-S610 VanDerWaalsContact O-C 3.29Å; E518-S610 VanDerWaalsContact OE1-CA 3.32Å; E518-S610 WeakPolarHBondContact OE1-CA 3.42Å; E518-S610 VanDerWaalsContact OE1-CB 3.29Å; E518-S610 WeakPolarHBondContact OE1-CB 3.37Å; E518-S610 PolarHBondContact OE1-OG 2.73Å; E518-S610 WeakPolarHBondContact OE2-CA 3.39Å; S610-K612 PolarHBondContact O-N 3.21Å; S610-K612 PolarHBondContact OG-N 3.44Å
611	C	91	Very high	93	Very high	19 Å²	19	58.9 Å²	58.9	13%	0.128	33%	0.331	C	S	.	.			trans	-80.3	0.9	179.4	69.9	0	0	0	0	113.8	Q514 C515 E518 G613 S614	Q514-C611 PolarHBondContact O-N 3.32Å; C515-C611 HydrophobicContact CB-CB 3.91Å; E518-C611 PolarHBondContact OE1-N 3.15Å; E518-C611 PolarHBondContact OE2-N 2.58Å; C611-G613 VanDerWaalsContact C-N 3.25Å; C611-G613 PolarHBondContact O-N 3.35Å; C611-S614 WeakPolarHBondContact O-CB 3.36Å; C611-S614 PolarHBondContact O-N 2.94Å; C611-S614 VanDerWaalsContact O-N 3.08Å; C611-S614 PolarHBondContact SG-O 3.31Å
612	K	88.7	Confident	92.9	Very high	194 Å²	194	58.9 Å²	58.9	84%	0.843	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	38.7	174.4	-58.8	-176.8	-179.5	179.4	0	113.4	S610	S610-K612 PolarHBondContact O-N 3.21Å; S610-K612 PolarHBondContact OG-N 3.44Å
613	G	83.5	Confident	92.7	Very high	39 Å²	39	54 Å²	54	40%	0.402	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.5	-3.3	177.8	0	0	0	0	0	115.1	C611 Y615	C611-G613 VanDerWaalsContact C-N 3.25Å; C611-G613 PolarHBondContact O-N 3.35Å; G613-Y615 WeakPolarHBondContact O-CD2 3.32Å; G613-Y615 PolarHBondContact O-N 3.47Å
614	S	88.7	Confident	92.6	Very high	69 Å²	69	52.5 Å²	52.5	48%	0.483	29%	0.286	S	S	.	.			trans	-75.8	76.1	169.2	-171.4	0	0	0	0	110.6	C611 G616 S617	C611-S614 WeakPolarHBondContact O-CB 3.36Å; C611-S614 PolarHBondContact O-N 2.94Å; C611-S614 VanDerWaalsContact O-N 3.08Å; C611-S614 PolarHBondContact SG-O 3.31Å; S614-G616 PolarHBondContact O-N 2.91Å; S614-S617 PolarHBondContact O-N 2.96Å
615	Y	90.5	Very high	92.5	Very high	42 Å²	42	49.9 Å²	49.9	17%	0.165	27%	0.273	C	S	.	.	H	α-helix	trans	-66.3	-16.2	-174.1	-60.1	-56.1	0	0	0	113.7	I556 L559 Q560 G613 S617 V618 C619	I556-Y615 HydrophobicContact CD1-CD1 4.13Å; I556-Y615 HydrophobicContact CD1-CG 4.38Å; I556-Y615 HydrophobicContact CG2-CD1 3.83Å; I556-Y615 HydrophobicContact CG2-CD2 3.81Å; I556-Y615 HydrophobicContact CG2-CE1 3.93Å; I556-Y615 HydrophobicContact CG2-CE2 3.91Å; I556-Y615 HydrophobicContact CG2-CG 3.78Å; L559-Y615 HydrophobicContact CD2-CD1 4.24Å; L559-Y615 HydrophobicContact CD2-CE1 3.79Å; Q560-Y615 PolarHBondContact NE2-OH 3.44Å; G613-Y615 WeakPolarHBondContact O-CD2 3.32Å; G613-Y615 PolarHBondContact O-N 3.47Å; Y615-S617 PolarHBondContact O-N 3.49Å; Y615-V618 HydrophobicContact CD1-CG2 4.34Å; Y615-V618 WeakPolarHBondContact O-CA 3.23Å; Y615-V618 WeakPolarHBondContact O-CB 3.39Å; Y615-V618 PolarHBondContact O-N 3.3Å; Y615-C619 PolarHBondContact O-N 3.39Å; Y615-C619 PolarHBondContact O-SG 2.87Å
616	G	90.2	Very high	92.4	Very high	45 Å²	45	40.7 Å²	40.7	46%	0.464	23%	0.233	S	C	.	.	H	α-helix	trans	-55.3	-39.3	172.4	0	0	0	0	0	112.8	S614 V618 C619 R620	S614-G616 PolarHBondContact O-N 2.91Å; G616-V618 VanDerWaalsContact C-N 3.35Å; G616-C619 PolarHBondContact O-N 3.44Å; G616-R620 WeakPolarHBondContact O-CG 3.38Å; G616-R620 PolarHBondContact O-N 3.3Å
617	S	91.7	Very high	92	Very high	33 Å²	33	39.9 Å²	39.9	23%	0.231	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-37.6	174.6	-62.2	0	0	0	0	112.5	Y513 C515 S614 Y615 R620 A621	Y513-S617 WeakPolarHBondContact O-CB 3.35Å; C515-S617 PolarHBondContact SG-O 3.45Å; C515-S617 VanDerWaalsContact SG-O 3.4Å; S614-S617 PolarHBondContact O-N 2.96Å; Y615-S617 PolarHBondContact O-N 3.49Å; S617-R620 PolarHBondContact O-N 3.12Å; S617-A621 WeakPolarHBondContact O-CB 3.25Å; S617-A621 PolarHBondContact O-N 3.13Å
618	V	94	Very high	91.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.6	-48.8	176.8	-176.5	0	0	0	0	110	C515 E518 V519 I522 I556 Y615 G616 R620 A621 L622	C515-V618 HydrophobicContact CB-CG2 3.84Å; E518-V618 HydrophobicContact CB-CG1 4.43Å; E518-V618 HydrophobicContact CB-CG2 3.75Å; E518-V618 HydrophobicContact CG-CG2 4.09Å; V519-V618 HydrophobicContact CG2-CG1 4.19Å; I522-V618 HydrophobicContact CD1-CG1 3.58Å; I556-V618 HydrophobicContact CD1-CB 4.2Å; I556-V618 HydrophobicContact CD1-CG1 3.83Å; Y615-V618 HydrophobicContact CD1-CG2 4.34Å; Y615-V618 WeakPolarHBondContact O-CA 3.23Å; Y615-V618 WeakPolarHBondContact O-CB 3.39Å; Y615-V618 PolarHBondContact O-N 3.3Å; G616-V618 VanDerWaalsContact C-N 3.35Å; V618-R620 VanDerWaalsContact C-N 3.3Å; V618-R620 PolarHBondContact O-N 3.32Å; V618-A621 PolarHBondContact O-N 3.01Å; V618-A621 VanDerWaalsContact O-N 3.16Å; V618-L622 HydrophobicContact CG1-CD1 4.03Å; V618-L622 HydrophobicContact CG1-CG 4.38Å; V618-L622 VanDerWaalsContact O-CG 3.3Å; V618-L622 WeakPolarHBondContact O-CG 3.27Å; V618-L622 PolarHBondContact O-N 2.96Å
619	C	91.8	Very high	91.4	Very high	11 Å²	11	37.6 Å²	37.6	7%	0.074	21%	0.212	C	C	.	.	H	α-helix	trans	-59.3	-41.7	177.7	-65.4	0	0	0	0	111.7	Y615 G616 L622 L623 T682 I684	Y615-C619 PolarHBondContact O-N 3.39Å; Y615-C619 PolarHBondContact O-SG 2.87Å; G616-C619 PolarHBondContact O-N 3.44Å; C619-L622 PolarHBondContact O-N 3.12Å; C619-L623 PolarHBondContact O-N 3.36Å; C619-L623 VanDerWaalsContact O-N 3.09Å; C619-T682 VanDerWaalsContact SG-CG2 3.54Å; C619-I684 HydrophobicContact CB-CG2 4.37Å
620	R	91.4	Very high	91.2	Very high	95 Å²	95	34.3 Å²	34.3	36%	0.358	20%	0.195	S	C	.	.	H	α-helix	trans	-63.1	-43.7	173.7	-74.7	-178.5	-172.1	-178.9	2.5	112.5	Y513 G616 S617 V618 L623 Y624 C688	Y513-R620 HydrophobicContact CD1-CB 4.43Å; Y513-R620 HydrophobicContact CE1-CB 4.37Å; G616-R620 WeakPolarHBondContact O-CG 3.38Å; G616-R620 PolarHBondContact O-N 3.3Å; S617-R620 PolarHBondContact O-N 3.12Å; V618-R620 VanDerWaalsContact C-N 3.3Å; V618-R620 PolarHBondContact O-N 3.32Å; R620-L623 WeakPolarHBondContact O-CB 3.48Å; R620-L623 PolarHBondContact O-N 3.29Å; R620-Y624 WeakPolarHBondContact O-CD2 3.39Å; R620-C688 HydrophobicContact CG-CB 4.48Å; R620-C688 WeakPolarHBondContact CG-SG 3.46Å; R620-C688 PolarHBondContact NE-SG 3.07Å
621	A	93.9	Very high	91.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.7	-42	177.7	0	0	0	0	0	112.5	A509 Y513 V519 S617 V618 L623 Y624	A509-A621 HydrophobicContact CB-CB 4.29Å; Y513-A621 HydrophobicContact CD2-CB 4.3Å; V519-A621 HydrophobicContact CG2-CB 3.93Å; S617-A621 WeakPolarHBondContact O-CB 3.25Å; S617-A621 PolarHBondContact O-N 3.13Å; V618-A621 PolarHBondContact O-N 3.01Å; V618-A621 VanDerWaalsContact O-N 3.16Å; A621-L623 PolarHBondContact O-N 3.08Å; A621-Y624 PolarHBondContact O-N 3.31Å
622	L	94.8	Very high	91.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.6	-36.7	176	-70.5	170.7	0	0	0	111.5	A506 V519 I522 L555 V618 C619 Y624 G625 F626 L666	A506-L622 HydrophobicContact CB-CD2 4.34Å; V519-L622 HydrophobicContact CG1-CD2 4.33Å; I522-L622 HydrophobicContact CD1-CD1 4.19Å; I522-L622 HydrophobicContact CG2-CD2 4.38Å; L555-L622 HydrophobicContact CD1-CD1 3.77Å; V618-L622 HydrophobicContact CG1-CD1 4.03Å; V618-L622 HydrophobicContact CG1-CG 4.38Å; V618-L622 VanDerWaalsContact O-CG 3.3Å; V618-L622 WeakPolarHBondContact O-CG 3.27Å; V618-L622 PolarHBondContact O-N 2.96Å; C619-L622 PolarHBondContact O-N 3.12Å; L622-Y624 PolarHBondContact O-N 3.45Å; L622-Y624 VanDerWaalsContact O-N 3.17Å; L622-G625 PolarHBondContact O-N 3Å; L622-F626 HydrophobicContact CB-CD2 4.38Å; L622-F626 HydrophobicContact CD2-CD2 4.27Å; L622-F626 HydrophobicContact CD2-CE2 3.82Å; L622-F626 WeakPolarHBondContact O-CB 3.41Å; L622-F626 VanDerWaalsContact O-CD2 3.31Å; L622-F626 WeakPolarHBondContact O-CD2 3.47Å; L622-F626 PolarHBondContact O-N 2.75Å; L622-L666 HydrophobicContact CB-CD1 4.16Å
623	L	93.4	Very high	91.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-53.8	-37	178.6	-170.4	62	0	0	0	113.2	C619 R620 A621 G625 F626 F627 L666 I684 C688 L692	C619-L623 PolarHBondContact O-N 3.36Å; C619-L623 VanDerWaalsContact O-N 3.09Å; R620-L623 WeakPolarHBondContact O-CB 3.48Å; R620-L623 PolarHBondContact O-N 3.29Å; A621-L623 PolarHBondContact O-N 3.08Å; L623-G625 PolarHBondContact O-N 2.82Å; L623-F626 PolarHBondContact O-N 2.88Å; L623-F627 WeakPolarHBondContact O-CA 3.43Å; L623-F627 VanDerWaalsContact O-CB 3.31Å; L623-F627 WeakPolarHBondContact O-CB 3.17Å; L623-F627 PolarHBondContact O-N 2.87Å; L623-L666 HydrophobicContact CB-CD1 4.4Å; L623-L666 HydrophobicContact CD1-CD1 4.17Å; L623-L666 HydrophobicContact CD1-CD2 3.76Å; L623-L666 HydrophobicContact CD1-CG 4.41Å; L623-I684 HydrophobicContact CD1-CD1 3.93Å; L623-C688 HydrophobicContact CD2-CB 3.8Å; L623-C688 WeakPolarHBondContact CD2-O 3.43Å; L623-L692 HydrophobicContact CD1-CD1 3.26Å; L623-L692 HydrophobicContact CD1-CG 4.31Å; L623-L692 HydrophobicContact CD2-CD1 3.69Å; L623-L692 HydrophobicContact CD2-CG 3.88Å; L623-L692 HydrophobicContact CG-CD1 3.38Å; L623-L692 HydrophobicContact CG-CD2 4.25Å; L623-L692 HydrophobicContact CG-CG 3.91Å
624	Y	92.6	Very high	91.8	Very high	51 Å²	51	25.5 Å²	25.5	20%	0.2	14%	0.143	C	C	.	.	H	α-helix	trans	-65.9	-25.6	179	-80.7	-102.2	0	0	0	113.9	R505 A509 Y513 R620 A621 L622 F627	R505-Y624 VanDerWaalsContact CG-O 3.28Å; R505-Y624 WeakPolarHBondContact CG-O 3.25Å; A509-Y624 HydrophobicContact CB-CD2 4.24Å; A509-Y624 HydrophobicContact CB-CG 4.01Å; Y513-Y624 AromaticContact CE2-CD2 3.98Å; Y513-Y624 HydrophobicContact CE2-CD2 3.98Å; Y513-Y624 AromaticContact CE2-CE2 3.43Å; Y513-Y624 HydrophobicContact CE2-CE2 3.43Å; Y513-Y624 VanDerWaalsContact CE2-CE2 3.43Å; Y513-Y624 AromaticContact CE2-CZ 4Å; Y513-Y624 AromaticContact CZ-CE2 3.75Å; Y513-Y624 VanDerWaalsContact OH-CE2 3.26Å; Y513-Y624 WeakPolarHBondContact OH-CE2 3.21Å; Y513-Y624 PolarHBondContact OH-OH 3.02Å; R620-Y624 WeakPolarHBondContact O-CD2 3.39Å; A621-Y624 PolarHBondContact O-N 3.31Å; L622-Y624 PolarHBondContact O-N 3.45Å; L622-Y624 VanDerWaalsContact O-N 3.17Å; Y624-F627 WeakPolarHBondContact O-CD1 3.38Å
625	G	92.6	Very high	91.4	Very high	2 Å²	2	30.3 Å²	30.3	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-93.1	-42.6	173.9	0	0	0	0	0	112.6	K502 L622 L623	K502-G625 WeakPolarHBondContact CB-O 3.48Å; K502-G625 WeakPolarHBondContact O-CA 3.3Å; L622-G625 PolarHBondContact O-N 3Å; L623-G625 PolarHBondContact O-N 2.82Å
626	F	92.5	Very high	90.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-99.2	13.3	-167.6	-69.7	-108.2	0	0	0	113.8	F503 A506 L526 L622 L623 M628 Q629 A630 L666 F667 N668	F503-F626 AromaticContact CD1-CE2 3.95Å; F503-F626 HydrophobicContact CD1-CE2 3.95Å; F503-F626 AromaticContact CD1-CZ 3.65Å; F503-F626 HydrophobicContact CD1-CZ 3.65Å; F503-F626 AromaticContact CE1-CE1 3.98Å; F503-F626 HydrophobicContact CE1-CE1 3.98Å; F503-F626 HydrophobicContact CE1-CE2 4.18Å; F503-F626 AromaticContact CE1-CZ 3.41Å; F503-F626 HydrophobicContact CE1-CZ 3.41Å; F503-F626 VanDerWaalsContact CE1-CZ 3.41Å; A506-F626 HydrophobicContact CB-CE2 4.39Å; L526-F626 HydrophobicContact CD1-CZ 4.07Å; L622-F626 HydrophobicContact CB-CD2 4.38Å; L622-F626 HydrophobicContact CD2-CD2 4.27Å; L622-F626 HydrophobicContact CD2-CE2 3.82Å; L622-F626 WeakPolarHBondContact O-CB 3.41Å; L622-F626 VanDerWaalsContact O-CD2 3.31Å; L622-F626 WeakPolarHBondContact O-CD2 3.47Å; L622-F626 PolarHBondContact O-N 2.75Å; L623-F626 PolarHBondContact O-N 2.88Å; F626-M628 PolarHBondContact O-N 3.19Å; F626-M628 VanDerWaalsContact O-N 3.15Å; F626-Q629 VanDerWaalsContact CA-OE1 3.27Å; F626-Q629 CarbonylContact O-C 3.59Å; F626-Q629 VanDerWaalsContact O-CA 3.3Å; F626-Q629 WeakPolarHBondContact O-CA 3.44Å; F626-Q629 WeakPolarHBondContact O-CB 3.39Å; F626-Q629 PolarHBondContact O-N 3.35Å; F626-Q629 PolarHBondContact O-OE1 3.44Å; F626-A630 PolarHBondContact O-N 3.23Å; F626-L666 HydrophobicContact CB-CD1 4.19Å; F626-L666 HydrophobicContact CB-CD2 4.24Å; F626-L666 WeakPolarHBondContact O-CD2 3.47Å; F626-F667 WeakPolarHBondContact CD1-O 3.24Å; F626-N668 HydrophobicContact CE1-CB 4.2Å
627	F	89	Confident	90.4	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-56.2	-32.5	-177.6	65	-85.7	0	0	0	113.4	K473 L474 L623 Y624 Q629 A630 L692 K695 V696	K473-F627 HydrophobicContact CB-CE2 3.69Å; K473-F627 HydrophobicContact CB-CZ 3.53Å; K473-F627 HydrophobicContact CD-CE2 4.18Å; K473-F627 HydrophobicContact CG-CE2 4.47Å; L474-F627 HydrophobicContact CD2-CE1 3.65Å; L474-F627 HydrophobicContact CD2-CZ 4.41Å; L474-F627 HydrophobicContact CG-CE1 3.97Å; L474-F627 HydrophobicContact CG-CZ 4.25Å; L623-F627 WeakPolarHBondContact O-CA 3.43Å; L623-F627 VanDerWaalsContact O-CB 3.31Å; L623-F627 WeakPolarHBondContact O-CB 3.17Å; L623-F627 PolarHBondContact O-N 2.87Å; Y624-F627 WeakPolarHBondContact O-CD1 3.38Å; F627-Q629 PolarHBondContact O-N 2.84Å; F627-A630 WeakPolarHBondContact O-CB 3.26Å; F627-A630 PolarHBondContact O-N 3.47Å; F627-L692 HydrophobicContact CB-CD1 3.57Å; F627-L692 HydrophobicContact CB-CD2 3.92Å; F627-L692 HydrophobicContact CB-CG 4.39Å; F627-K695 HydrophobicContact CD2-CB 4.46Å; F627-V696 HydrophobicContact CB-CG2 3.87Å; F627-V696 HydrophobicContact CD2-CG2 4.1Å; F627-V696 HydrophobicContact CG-CG2 4.48Å
628	M	87.9	Confident	90.1	Very high	26 Å²	26	34.4 Å²	34.4	13%	0.128	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-69.6	-19	174.5	-67.6	-58.7	-72.8	0	0	112.9	I470 F626 S644	I470-M628 HydrophobicContact CG1-CE 4.45Å; F626-M628 PolarHBondContact O-N 3.19Å; F626-M628 VanDerWaalsContact O-N 3.15Å; M628-S644 WeakPolarHBondContact O-CB 3.46Å; M628-S644 PolarHBondContact O-OG 3.13Å
629	Q	90	Very high	90	Very high	32 Å²	32	35.9 Å²	35.9	15%	0.15	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-104.2	28.9	175.8	-60.7	82.2	11.1	0	0	112	F626 F627 L666 F667	F626-Q629 VanDerWaalsContact CA-OE1 3.27Å; F626-Q629 CarbonylContact O-C 3.59Å; F626-Q629 VanDerWaalsContact O-CA 3.3Å; F626-Q629 WeakPolarHBondContact O-CA 3.44Å; F626-Q629 WeakPolarHBondContact O-CB 3.39Å; F626-Q629 PolarHBondContact O-N 3.35Å; F626-Q629 PolarHBondContact O-OE1 3.44Å; F627-Q629 PolarHBondContact O-N 2.84Å; Q629-L666 WeakPolarHBondContact O-CA 3.13Å; Q629-F667 VanDerWaalsContact CA-CE1 3.49Å; Q629-F667 HydrophobicContact CB-CD1 4Å; Q629-F667 HydrophobicContact CB-CD2 3.89Å; Q629-F667 HydrophobicContact CB-CE1 3.82Å; Q629-F667 HydrophobicContact CB-CE2 3.69Å; Q629-F667 HydrophobicContact CB-CG 4.03Å; Q629-F667 HydrophobicContact CB-CZ 3.66Å; Q629-F667 WeakPolarHBondContact CB-O 3.37Å; Q629-F667 HydrophobicContact CG-CD2 4.09Å; Q629-F667 HydrophobicContact CG-CE2 3.64Å; Q629-F667 HydrophobicContact CG-CZ 3.93Å; Q629-F667 WeakPolarHBondContact O-CD1 3.44Å; Q629-F667 WeakPolarHBondContact O-CE1 3.36Å; Q629-F667 PolarHBondContact O-N 3.18Å
630	A	92.6	Very high	90.1	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	136.7	167.6	0	0	0	0	0	110.9	F626 F627 L643 L665 L666 L689	F626-A630 PolarHBondContact O-N 3.23Å; F627-A630 WeakPolarHBondContact O-CB 3.26Å; F627-A630 PolarHBondContact O-N 3.47Å; A630-L643 HydrophobicContact CB-CD1 3.88Å; A630-L643 HydrophobicContact CB-CG 4.42Å; A630-L643 PolarHBondContact O-N 3.39Å; A630-L665 WeakPolarHBondContact CA-O 3.11Å; A630-L666 HydrophobicContact CB-CD2 4Å; A630-L689 HydrophobicContact CB-CD2 3.91Å
631	A	92.9	Very high	90.2	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	148.2	173.1	0	0	0	0	0	111.6	K641 V642 L665 F667 L678	A631-K641 CarbonylContact C-O 3.53Å; A631-K641 VanDerWaalsContact CA-O 3.24Å; A631-K641 WeakPolarHBondContact CA-O 3.28Å; A631-K641 WeakPolarHBondContact CB-O 3.29Å; A631-V642 HydrophobicContact CB-CG2 4.3Å; A631-L665 HydrophobicContact CB-CD1 3.83Å; A631-L665 PolarHBondContact N-O 3.19Å; A631-L665 PolarHBondContact O-N 3Å; A631-F667 HydrophobicContact CB-CD1 4.33Å; A631-F667 HydrophobicContact CB-CE1 4.25Å; A631-L678 HydrophobicContact CB-CD1 4.2Å
632	V	93.9	Very high	90	Very high	39 Å²	39	36 Å²	36	24%	0.236	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	144.4	-179.7	-63.5	0	0	0	0	110.1	D634 Y640 K641 L643 S663 L689	V632-D634 PolarHBondContact O-N 2.95Å; V632-Y640 CarbonylContact O-C 3.58Å; V632-Y640 VanDerWaalsContact O-CA 3.26Å; V632-Y640 WeakPolarHBondContact O-CA 3.37Å; V632-K641 HydrophobicContact CG2-CB 4.31Å; V632-K641 PolarHBondContact N-O 3.44Å; V632-K641 PolarHBondContact O-N 3.03Å; V632-L643 HydrophobicContact CB-CD2 4.38Å; V632-L643 HydrophobicContact CG1-CD1 4.1Å; V632-L643 HydrophobicContact CG1-CD2 3.78Å; V632-L643 HydrophobicContact CG1-CG 4.12Å; V632-L643 HydrophobicContact CG2-CD2 3.69Å; V632-S663 WeakPolarHBondContact CA-O 3.16Å; V632-L689 HydrophobicContact CG1-CD1 4.4Å
633	L	93.7	Very high	89.8	Confident	47 Å²	47	39.2 Å²	39.2	25%	0.246	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	127.3	177.4	-174.5	67.6	0	0	0	109.1	Y640 K661 S663	L633-Y640 HydrophobicContact CB-CD1 4.21Å; L633-Y640 HydrophobicContact CB-CE1 3.73Å; L633-Y640 HydrophobicContact CD1-CD1 4.41Å; L633-Y640 HydrophobicContact CD1-CD2 4.3Å; L633-Y640 HydrophobicContact CD1-CE1 3.88Å; L633-Y640 HydrophobicContact CD1-CE2 3.76Å; L633-Y640 HydrophobicContact CG-CE1 4.4Å; L633-K661 HydrophobicContact CD2-CB 4.08Å; L633-S663 PolarHBondContact N-O 3.47Å
634	D	90.2	Very high	89.3	Confident	42 Å²	42	40.6 Å²	40.6	23%	0.225	23%	0.226	C	C	.	.			trans	-73.8	160	177.6	-161.4	1	0	0	0	110.9	V632 G636 G637 T639 Q648	V632-D634 PolarHBondContact O-N 2.95Å; D634-G636 PolarHBondContact O-N 3.31Å; D634-G636 VanDerWaalsContact O-N 3.09Å; D634-G637 PolarHBondContact O-N 3Å; D634-T639 VanDerWaalsContact CB-O 3.24Å; D634-T639 WeakPolarHBondContact CB-O 3.35Å; D634-T639 PolarHBondContact N-O 3.35Å; D634-Q648 PolarHBondContact OD2-NE2 2.91Å
635	N	80.7	Confident	88.9	Confident	169 Å²	169	39.3 Å²	39.3	90%	0.904	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.7	-174.9	-67.9	-21.9	0	0	0	113.1	G637	N635-G637 PolarHBondContact O-N 3.22Å
636	G	77.2	Confident	88.6	Confident	63 Å²	63	40.9 Å²	40.9	65%	0.649	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-10.7	175.1	0	0	0	0	0	114.5	D634 Q638	D634-G636 PolarHBondContact O-N 3.31Å; D634-G636 VanDerWaalsContact O-N 3.09Å; G636-Q638 PolarHBondContact O-N 3.5Å
637	G	81.2	Confident	88.4	Confident	14 Å²	14	42.8 Å²	42.8	14%	0.144	25%	0.25	C	S	.	.	S	Bend	trans	66.6	17.2	174.4	0	0	0	0	0	115.3	D634 N635 K661	D634-G637 PolarHBondContact O-N 3Å; N635-G637 PolarHBondContact O-N 3.22Å; G637-K661 WeakPolarHBondContact O-CD 3.47Å; G637-K661 WeakPolarHBondContact O-CE 3.46Å; G637-K661 PolarHBondContact O-NZ 2.92Å
638	Q	85	Confident	88.5	Confident	129 Å²	129	48.1 Å²	48.1	60%	0.603	28%	0.275	S	S	*	.	S	Bend	trans	-121.8	-22	-179.1	-63	-62.7	-15.1	0	0	113.5	G636	G636-Q638 PolarHBondContact O-N 3.5Å
639	T	92.6	Very high	88.8	Confident	31 Å²	31	47 Å²	47	19%	0.19	27%	0.27	C	S	.	.			trans	-129.3	158.4	-177.1	46.5	0	0	0	0	109.8	D634 K650	D634-T639 VanDerWaalsContact CB-O 3.24Å; D634-T639 WeakPolarHBondContact CB-O 3.35Å; D634-T639 PolarHBondContact N-O 3.35Å; T639-K650 HydrophobicContact CG2-CG 3.93Å
640	Y	94.6	Very high	88.9	Confident	7 Å²	7	48.9 Å²	48.9	3%	0.027	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.7	176.6	-75.2	-92	0	0	0	109.2	V632 L633 Q648 A649 I651 P662 L665 L678	V632-Y640 CarbonylContact O-C 3.58Å; V632-Y640 VanDerWaalsContact O-CA 3.26Å; V632-Y640 WeakPolarHBondContact O-CA 3.37Å; L633-Y640 HydrophobicContact CB-CD1 4.21Å; L633-Y640 HydrophobicContact CB-CE1 3.73Å; L633-Y640 HydrophobicContact CD1-CD1 4.41Å; L633-Y640 HydrophobicContact CD1-CD2 4.3Å; L633-Y640 HydrophobicContact CD1-CE1 3.88Å; L633-Y640 HydrophobicContact CD1-CE2 3.76Å; L633-Y640 HydrophobicContact CG-CE1 4.4Å; Y640-Q648 CarbonylContact O-C 3.29Å; Y640-Q648 VanDerWaalsContact O-CA 3.3Å; Y640-Q648 WeakPolarHBondContact O-CA 3.34Å; Y640-A649 PolarHBondContact N-O 3.2Å; Y640-A649 PolarHBondContact O-N 3.26Å; Y640-I651 HydrophobicContact CD2-CD1 4.45Å; Y640-I651 HydrophobicContact CD2-CG1 4.06Å; Y640-I651 HydrophobicContact CE2-CD1 3.61Å; Y640-I651 HydrophobicContact CE2-CG1 3.69Å; Y640-P662 WeakPolarHBondContact CE1-O 3.37Å; Y640-P662 WeakPolarHBondContact OH-CD 3.4Å; Y640-P662 WeakPolarHBondContact OH-CG 3.31Å; Y640-P662 PolarHBondContact OH-O 3.04Å; Y640-L665 HydrophobicContact CD1-CD2 3.49Å; Y640-L665 VanDerWaalsContact CD1-CD2 3.49Å; Y640-L665 HydrophobicContact CD1-CG 3.96Å; Y640-L665 HydrophobicContact CD2-CD2 4.3Å; Y640-L665 HydrophobicContact CE1-CD2 3.21Å; Y640-L665 HydrophobicContact CE1-CG 3.98Å; Y640-L665 HydrophobicContact CE2-CD2 4.07Å; Y640-L665 HydrophobicContact CG-CD2 4.04Å; Y640-L678 HydrophobicContact CD2-CD1 4.44Å; Y640-L678 HydrophobicContact CG-CD1 4.11Å
641	K	92.8	Very high	89	Confident	102 Å²	102	49.4 Å²	49.4	44%	0.443	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	118.6	172	-175.5	179.3	178.9	-178.5	0	109.1	A631 V632 L643 L647	A631-K641 CarbonylContact C-O 3.53Å; A631-K641 VanDerWaalsContact CA-O 3.24Å; A631-K641 WeakPolarHBondContact CA-O 3.28Å; A631-K641 WeakPolarHBondContact CB-O 3.29Å; V632-K641 HydrophobicContact CG2-CB 4.31Å; V632-K641 PolarHBondContact N-O 3.44Å; V632-K641 PolarHBondContact O-N 3.03Å; K641-L643 PolarHBondContact O-N 3.19Å; K641-L647 CarbonylContact C-O 3.57Å; K641-L647 WeakPolarHBondContact CA-O 3.38Å
642	V	90.8	Very high	88.8	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	125.9	172.3	179.2	0	0	0	0	108.5	A631 S644 S645 G646 L647 F667 L678	A631-V642 HydrophobicContact CB-CG2 4.3Å; V642-S644 WeakPolarHBondContact CG1-OG 3.21Å; V642-S644 PolarHBondContact O-N 3.04Å; V642-S645 WeakPolarHBondContact CB-OG 3.45Å; V642-S645 WeakPolarHBondContact CG1-OG 3.42Å; V642-G646 VanDerWaalsContact O-CA 3.25Å; V642-G646 WeakPolarHBondContact O-CA 3.32Å; V642-G646 PolarHBondContact O-N 2.74Å; V642-L647 PolarHBondContact N-O 3.35Å; V642-F667 HydrophobicContact CG1-CE1 4.03Å; V642-F667 HydrophobicContact CG1-CZ 3.96Å; V642-F667 HydrophobicContact CG2-CE1 3.82Å; V642-F667 HydrophobicContact CG2-CZ 3.97Å; V642-L678 HydrophobicContact CG2-CD2 4.35Å
643	L	89	Confident	88.5	Confident	67 Å²	67	52 Å²	52	35%	0.351	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-38.2	-171.3	-69	-178.7	0	0	0	113	A630 V632 K641 L689 V696	A630-L643 HydrophobicContact CB-CD1 3.88Å; A630-L643 HydrophobicContact CB-CG 4.42Å; A630-L643 PolarHBondContact O-N 3.39Å; V632-L643 HydrophobicContact CB-CD2 4.38Å; V632-L643 HydrophobicContact CG1-CD1 4.1Å; V632-L643 HydrophobicContact CG1-CD2 3.78Å; V632-L643 HydrophobicContact CG1-CG 4.12Å; V632-L643 HydrophobicContact CG2-CD2 3.69Å; K641-L643 PolarHBondContact O-N 3.19Å; L643-L689 HydrophobicContact CD1-CD2 3.71Å; L643-V696 HydrophobicContact CB-CG1 3.7Å; L643-V696 HydrophobicContact CD1-CG1 4.1Å
644	S	84	Confident	88	Confident	30 Å²	30	51.8 Å²	51.8	21%	0.21	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-32.7	-178.5	52.7	0	0	0	0	114	M628 V642	M628-S644 WeakPolarHBondContact O-CB 3.46Å; M628-S644 PolarHBondContact O-OG 3.13Å; V642-S644 WeakPolarHBondContact CG1-OG 3.21Å; V642-S644 PolarHBondContact O-N 3.04Å
645	S	83.5	Confident	88	Confident	24 Å²	24	50.1 Å²	50.1	17%	0.168	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-16.4	-170.8	58.5	0	0	0	0	114.8	K380 V642 L647	K380-S645 VanDerWaalsContact O-CB 3.3Å; K380-S645 WeakPolarHBondContact O-CB 3.48Å; V642-S645 WeakPolarHBondContact CB-OG 3.45Å; V642-S645 WeakPolarHBondContact CG1-OG 3.42Å; S645-L647 PolarHBondContact O-N 3.17Å; S645-L647 PolarHBondContact OG-N 3.17Å
646	G	86.3	Confident	88.4	Confident	35 Å²	35	42.9 Å²	42.9	36%	0.361	25%	0.252	S	S	.	.			trans	69.8	2.2	-169.8	0	0	0	0	0	115	V642	V642-G646 VanDerWaalsContact O-CA 3.25Å; V642-G646 WeakPolarHBondContact O-CA 3.32Å; V642-G646 PolarHBondContact O-N 2.74Å
647	L	88.6	Confident	89	Confident	39 Å²	39	40.1 Å²	40.1	20%	0.204	22%	0.222	C	C	.	.			trans	-64.6	140.9	179.7	-70.8	175	0	0	0	111.6	K380 V382 K641 V642 S645	K380-L647 HydrophobicContact CD-CD1 4.07Å; K380-L647 HydrophobicContact CD-CD2 3.97Å; K380-L647 HydrophobicContact CD-CG 4Å; V382-L647 HydrophobicContact CG1-CD1 4.44Å; V382-L647 HydrophobicContact CG2-CD1 3.72Å; K641-L647 CarbonylContact C-O 3.57Å; K641-L647 WeakPolarHBondContact CA-O 3.38Å; V642-L647 PolarHBondContact N-O 3.35Å; S645-L647 PolarHBondContact O-N 3.17Å; S645-L647 PolarHBondContact OG-N 3.17Å
648	Q	91.8	Very high	89.3	Confident	113 Å²	113	44.4 Å²	44.4	53%	0.528	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	129.2	172.3	-73.6	175.3	-14.8	0	0	110.6	D634 Y640	D634-Q648 PolarHBondContact OD2-NE2 2.91Å; Y640-Q648 CarbonylContact O-C 3.29Å; Y640-Q648 VanDerWaalsContact O-CA 3.3Å; Y640-Q648 WeakPolarHBondContact O-CA 3.34Å
649	A	92.6	Very high	89.4	Confident	3 Å²	3	41.5 Å²	41.5	3%	0.025	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	160.9	179	0	0	0	0	0	111.4	Y640 L670 L676 L678	Y640-A649 PolarHBondContact N-O 3.2Å; Y640-A649 PolarHBondContact O-N 3.26Å; A649-L670 HydrophobicContact CB-CD2 4.02Å; A649-L676 WeakPolarHBondContact CA-O 3.35Å; A649-L676 HydrophobicContact CB-CB 3.88Å; A649-L678 HydrophobicContact CB-CD2 3.52Å; A649-L678 HydrophobicContact CB-CG 3.8Å
650	K	93.9	Very high	89.2	Confident	72 Å²	72	44.6 Å²	44.6	31%	0.313	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	153.1	175.5	-67	-177.1	179.5	159.3	0	111.2	T639 H652 L676 Y677 L678	T639-K650 HydrophobicContact CG2-CG 3.93Å; K650-H652 PolarHBondContact O-N 3.2Å; K650-L676 PolarHBondContact N-O 3.06Å; K650-Y677 HydrophobicContact CB-CD1 4.11Å; K650-Y677 HydrophobicContact CB-CE1 4.29Å; K650-Y677 CarbonylContact O-C 3.6Å; K650-Y677 WeakPolarHBondContact O-CA 3.09Å; K650-L678 PolarHBondContact O-N 3.12Å
651	I	93.8	Very high	89	Confident	11 Å²	11	49.6 Å²	49.6	6%	0.056	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	126.7	169.3	-64.2	174.6	0	0	0	108.8	Y640 S655 L657 H658 P662 L665 V681	Y640-I651 HydrophobicContact CD2-CD1 4.45Å; Y640-I651 HydrophobicContact CD2-CG1 4.06Å; Y640-I651 HydrophobicContact CE2-CD1 3.61Å; Y640-I651 HydrophobicContact CE2-CG1 3.69Å; I651-S655 VanDerWaalsContact CG2-CB 3.43Å; I651-L657 HydrophobicContact CD1-CB 4.25Å; I651-H658 PolarHBondContact O-ND1 3.37Å; I651-P662 HydrophobicContact CD1-CG 4.42Å; I651-L665 HydrophobicContact CD1-CD2 3.97Å; I651-L665 HydrophobicContact CG1-CD2 4.19Å; I651-V681 HydrophobicContact CG2-CG2 4.45Å
652	H	89.8	Confident	88.9	Confident	30 Å²	30	45.7 Å²	45.7	14%	0.139	26%	0.262	C	S	.	.			trans	-59.9	139.9	-179.4	-171.1	-95.4	0	0	0	111.1	K650 S654 S655 Y677 L678 R679	K650-H652 PolarHBondContact O-N 3.2Å; H652-S654 PolarHBondContact CE1-OG 3.01Å; H652-S654 WeakPolarHBondContact ND1-CB 3.36Å; H652-S654 PolarHBondContact ND1-N 3.04Å; H652-S654 PolarHBondContact ND1-OG 3.09Å; H652-S654 PolarHBondContact O-N 3.48Å; H652-S655 VanDerWaalsContact O-CB 3.27Å; H652-S655 WeakPolarHBondContact O-CB 3.24Å; H652-S655 PolarHBondContact O-N 3.15Å; H652-Y677 HydrophobicContact CB-CD1 4.43Å; H652-Y677 AromaticContact CD2-CG 3.88Å; H652-L678 WeakPolarHBondContact CB-O 3.46Å; H652-L678 PolarHBondContact N-O 3.24Å; H652-R679 HydrophobicContact CB-CG 3.7Å
653	P	86.5	Confident	89	Confident	63 Å²	63	49.1 Å²	49.1	41%	0.409	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-17.8	-178	-27.1	35.6	0	0	0	115.9	S655 Y677	P653-S655 VanDerWaalsContact C-N 3.33Å; P653-Y677 HydrophobicContact CG-CE1 4.26Å
654	S	83.2	Confident	89.2	Confident	43 Å²	43	46.1 Å²	46.1	30%	0.301	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-14.7	176	70.1	0	0	0	0	114.2	H652	H652-S654 PolarHBondContact CE1-OG 3.01Å; H652-S654 WeakPolarHBondContact ND1-CB 3.36Å; H652-S654 PolarHBondContact ND1-N 3.04Å; H652-S654 PolarHBondContact ND1-OG 3.09Å; H652-S654 PolarHBondContact O-N 3.48Å
655	S	89.5	Confident	89.7	Confident	8 Å²	8	44.7 Å²	44.7	6%	0.056	26%	0.261	C	S	.	.	S	Bend	trans	-68.6	143.8	-179.2	-178.7	0	0	0	0	111.1	D554 I651 H652 P653 L657 H658	D554-S655 VanDerWaalsContact CG-OG 3.23Å; D554-S655 VanDerWaalsContact OD1-CA 3.27Å; D554-S655 WeakPolarHBondContact OD1-CA 3.39Å; D554-S655 PolarHBondContact OD1-OG 3.48Å; D554-S655 WeakPolarHBondContact OD2-CA 3.36Å; D554-S655 WeakPolarHBondContact OD2-CB 3.33Å; D554-S655 PolarHBondContact OD2-OG 3.43Å; I651-S655 VanDerWaalsContact CG2-CB 3.43Å; H652-S655 VanDerWaalsContact O-CB 3.27Å; H652-S655 WeakPolarHBondContact O-CB 3.24Å; H652-S655 PolarHBondContact O-N 3.15Å; P653-S655 VanDerWaalsContact C-N 3.33Å; S655-L657 PolarHBondContact O-N 3.31Å; S655-L657 PolarHBondContact OG-N 3.09Å; S655-L657 VanDerWaalsContact OG-N 3.11Å; S655-H658 WeakPolarHBondContact O-CB 3.21Å; S655-H658 PolarHBondContact O-N 3.05Å
656	C	88.9	Confident	90.2	Very high	17 Å²	17	43.6 Å²	43.6	12%	0.115	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-15.5	169.2	60.7	0	0	0	0	112.9	F549 G553 D554 H658	F549-C656 HydrophobicContact CD2-CB 4.06Å; F549-C656 HydrophobicContact CE2-CB 4.43Å; F549-C656 WeakPolarHBondContact CE2-O 3.38Å; G553-C656 VanDerWaalsContact C-SG 3.57Å; D554-C656 PolarHBondContact OD1-N 2.89Å; D554-C656 PolarHBondContact OD1-SG 2.96Å; D554-C656 VanDerWaalsContact OD1-SG 3.32Å; C656-H658 VanDerWaalsContact C-N 3.34Å
657	L	91.4	Very high	90.6	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.026	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	5.8	175.5	-60.1	175.7	0	0	0	112.7	I651 S655 G659 H660 V681 V683	I651-L657 HydrophobicContact CD1-CB 4.25Å; S655-L657 PolarHBondContact O-N 3.31Å; S655-L657 PolarHBondContact OG-N 3.09Å; S655-L657 VanDerWaalsContact OG-N 3.11Å; L657-G659 PolarHBondContact O-N 3.48Å; L657-H660 WeakPolarHBondContact O-CB 3.47Å; L657-H660 PolarHBondContact O-N 3.38Å; L657-V681 HydrophobicContact CD1-CB 4.34Å; L657-V681 HydrophobicContact CD1-CG1 3.81Å; L657-V683 HydrophobicContact CD1-CG2 3.67Å; L657-V683 HydrophobicContact CD2-CG2 4.31Å
658	H	87.5	Confident	90.8	Very high	103 Å²	103	41.3 Å²	41.3	48%	0.477	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	127.6	174.9	-172.7	69.3	0	0	0	110.7	I651 S655 C656 H660	I651-H658 PolarHBondContact O-ND1 3.37Å; S655-H658 WeakPolarHBondContact O-CB 3.21Å; S655-H658 PolarHBondContact O-N 3.05Å; C656-H658 VanDerWaalsContact C-N 3.34Å; H658-H660 PolarHBondContact O-N 3Å
659	G	85.9	Confident	90.6	Very high	68 Å²	68	38.7 Å²	38.7	70%	0.701	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.7	-16.8	-173.4	0	0	0	0	0	114.5	L657	L657-G659 PolarHBondContact O-N 3.48Å
660	H	88.7	Confident	90.4	Very high	96 Å²	96	38.9 Å²	38.9	44%	0.444	22%	0.221	S	C	.	.			trans	-81.8	156.6	168.4	-63.6	-91.5	0	0	0	110.4	F549 L657 H658	F549-H660 AromaticContact CE2-NE2 3.87Å; F549-H660 AromaticContact CZ-NE2 3.99Å; L657-H660 WeakPolarHBondContact O-CB 3.47Å; L657-H660 PolarHBondContact O-N 3.38Å; H658-H660 PolarHBondContact O-N 3Å
661	K	90.8	Very high	89.9	Confident	112 Å²	112	35.6 Å²	35.6	49%	0.487	21%	0.207	S	C	.	.			trans	-127	59.6	-177.5	-59.4	-173.6	-178.3	-161.5	0	111.8	L633 G637	L633-K661 HydrophobicContact CD2-CB 4.08Å; G637-K661 WeakPolarHBondContact O-CD 3.47Å; G637-K661 WeakPolarHBondContact O-CE 3.46Å; G637-K661 PolarHBondContact O-NZ 2.92Å
662	P	91.5	Very high	89.3	Confident	21 Å²	21	38.2 Å²	38.2	14%	0.136	22%	0.218	C	C	.	.			trans	-58.4	141	172.6	25.9	-34.9	0	0	0	110.2	Y640 I651 C664 L665 V683	Y640-P662 WeakPolarHBondContact CE1-O 3.37Å; Y640-P662 WeakPolarHBondContact OH-CD 3.4Å; Y640-P662 WeakPolarHBondContact OH-CG 3.31Å; Y640-P662 PolarHBondContact OH-O 3.04Å; I651-P662 HydrophobicContact CD1-CG 4.42Å; P662-C664 VanDerWaalsContact C-N 3.34Å; P662-C664 PolarHBondContact O-N 3.43Å; P662-L665 HydrophobicContact CG-CD2 4.14Å; P662-V683 HydrophobicContact CB-CG1 4.03Å; P662-V683 HydrophobicContact CB-CG2 3.8Å; P662-V683 HydrophobicContact CG-CG2 4.16Å
663	S	91.3	Very high	88.6	Confident	72 Å²	72	40 Å²	40	50%	0.503	23%	0.231	S	C	.	.	S	Bend	trans	-66.6	-36.4	-178.4	-50	0	0	0	0	112.6	V632 L633	V632-S663 WeakPolarHBondContact CA-O 3.16Å; L633-S663 PolarHBondContact N-O 3.47Å
664	C	93.2	Very high	88.2	Confident	4 Å²	4	44.3 Å²	44.3	3%	0.027	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	141.4	-176.2	-59.5	0	0	0	0	110.9	P662 I684 Q686 L689	P662-C664 VanDerWaalsContact C-N 3.34Å; P662-C664 PolarHBondContact O-N 3.43Å; C664-I684 HydrophobicContact CB-CG1 3.92Å; C664-I684 PolarHBondContact O-N 3.32Å; C664-Q686 WeakPolarHBondContact SG-CG 3.38Å; C664-L689 HydrophobicContact CB-CD1 3.53Å; C664-L689 VanDerWaalsContact SG-CD1 3.54Å
665	L	94.7	Very high	88.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	159.9	-177.3	57.6	83.1	0	0	0	112.3	A630 A631 Y640 I651 P662 F667 L678 V681 T682	A630-L665 WeakPolarHBondContact CA-O 3.11Å; A631-L665 HydrophobicContact CB-CD1 3.83Å; A631-L665 PolarHBondContact N-O 3.19Å; A631-L665 PolarHBondContact O-N 3Å; Y640-L665 HydrophobicContact CD1-CD2 3.49Å; Y640-L665 VanDerWaalsContact CD1-CD2 3.49Å; Y640-L665 HydrophobicContact CD1-CG 3.96Å; Y640-L665 HydrophobicContact CD2-CD2 4.3Å; Y640-L665 HydrophobicContact CE1-CD2 3.21Å; Y640-L665 HydrophobicContact CE1-CG 3.98Å; Y640-L665 HydrophobicContact CE2-CD2 4.07Å; Y640-L665 HydrophobicContact CG-CD2 4.04Å; I651-L665 HydrophobicContact CD1-CD2 3.97Å; I651-L665 HydrophobicContact CG1-CD2 4.19Å; P662-L665 HydrophobicContact CG-CD2 4.14Å; L665-F667 HydrophobicContact CD1-CD1 4.4Å; L665-L678 HydrophobicContact CD1-CD1 3.57Å; L665-L678 HydrophobicContact CD2-CD1 4.46Å; L665-V681 HydrophobicContact CB-CG1 3.74Å; L665-V681 HydrophobicContact CD1-CG1 3.93Å; L665-V681 HydrophobicContact CD2-CG1 3.71Å; L665-V681 HydrophobicContact CG-CG1 3.99Å; L665-T682 CarbonylContact C-O 3.5Å; L665-T682 VanDerWaalsContact CA-O 3.23Å; L665-T682 WeakPolarHBondContact CA-O 3.44Å; L665-T682 WeakPolarHBondContact CB-O 3.37Å
666	L	94.9	Very high	88.3	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	151.8	163.4	-61.9	175.3	0	0	0	109.3	L622 L623 F626 Q629 A630 V681 T682 I684	L622-L666 HydrophobicContact CB-CD1 4.16Å; L623-L666 HydrophobicContact CB-CD1 4.4Å; L623-L666 HydrophobicContact CD1-CD1 4.17Å; L623-L666 HydrophobicContact CD1-CD2 3.76Å; L623-L666 HydrophobicContact CD1-CG 4.41Å; F626-L666 HydrophobicContact CB-CD1 4.19Å; F626-L666 HydrophobicContact CB-CD2 4.24Å; F626-L666 WeakPolarHBondContact O-CD2 3.47Å; Q629-L666 WeakPolarHBondContact O-CA 3.13Å; A630-L666 HydrophobicContact CB-CD2 4Å; L666-V681 CarbonylContact O-C 3.59Å; L666-V681 VanDerWaalsContact O-CA 3.23Å; L666-V681 WeakPolarHBondContact O-CA 3.3Å; L666-T682 PolarHBondContact N-O 3.18Å; L666-T682 PolarHBondContact O-N 3.24Å; L666-I684 HydrophobicContact CD1-CG2 3.66Å; L666-I684 HydrophobicContact CD2-CD1 3.89Å; L666-I684 HydrophobicContact CG-CD1 3.97Å; L666-I684 HydrophobicContact CG-CG2 3.64Å
667	F	94.6	Very high	88.5	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.018	26%	0.26	C	S	.	.			trans	-134.1	161.5	171.7	64.3	-91.3	0	0	0	110.8	F626 Q629 A631 V642 L665 L670 L678 V681	F626-F667 WeakPolarHBondContact CD1-O 3.24Å; Q629-F667 VanDerWaalsContact CA-CE1 3.49Å; Q629-F667 HydrophobicContact CB-CD1 4Å; Q629-F667 HydrophobicContact CB-CD2 3.89Å; Q629-F667 HydrophobicContact CB-CE1 3.82Å; Q629-F667 HydrophobicContact CB-CE2 3.69Å; Q629-F667 HydrophobicContact CB-CG 4.03Å; Q629-F667 HydrophobicContact CB-CZ 3.66Å; Q629-F667 WeakPolarHBondContact CB-O 3.37Å; Q629-F667 HydrophobicContact CG-CD2 4.09Å; Q629-F667 HydrophobicContact CG-CE2 3.64Å; Q629-F667 HydrophobicContact CG-CZ 3.93Å; Q629-F667 WeakPolarHBondContact O-CD1 3.44Å; Q629-F667 WeakPolarHBondContact O-CE1 3.36Å; Q629-F667 PolarHBondContact O-N 3.18Å; A631-F667 HydrophobicContact CB-CD1 4.33Å; A631-F667 HydrophobicContact CB-CE1 4.25Å; V642-F667 HydrophobicContact CG1-CE1 4.03Å; V642-F667 HydrophobicContact CG1-CZ 3.96Å; V642-F667 HydrophobicContact CG2-CE1 3.82Å; V642-F667 HydrophobicContact CG2-CZ 3.97Å; L665-F667 HydrophobicContact CD1-CD1 4.4Å; F667-L670 HydrophobicContact CD2-CG 4.37Å; F667-L670 HydrophobicContact CE2-CD1 4.13Å; F667-L670 HydrophobicContact CE2-CD2 4.23Å; F667-L670 HydrophobicContact CE2-CG 3.66Å; F667-L670 HydrophobicContact CZ-CD1 4.2Å; F667-L670 HydrophobicContact CZ-CD2 4.45Å; F667-L670 HydrophobicContact CZ-CG 4.12Å; F667-L678 HydrophobicContact CB-CB 4.1Å; F667-L678 HydrophobicContact CB-CD2 4.47Å; F667-L678 HydrophobicContact CD1-CD1 4.35Å; F667-L678 HydrophobicContact CD1-CD2 3.75Å; F667-L678 HydrophobicContact CD2-CD2 4.25Å; F667-L678 HydrophobicContact CE1-CD2 3.99Å; F667-L678 HydrophobicContact CE2-CD2 4.48Å; F667-L678 HydrophobicContact CG-CB 4.41Å; F667-L678 HydrophobicContact CG-CD2 3.9Å; F667-L678 HydrophobicContact CZ-CD2 4.36Å; F667-V681 HydrophobicContact CB-CG2 4.32Å
668	N	92	Very high	88.5	Confident	22 Å²	22	47.7 Å²	47.7	12%	0.118	26%	0.258	C	S	.	.	S	Bend	trans	-92.9	-48.1	177.4	179	40.5	0	0	0	113.1	K502 F626 R679 D680	K502-N668 PolarHBondContact NZ-O 2.96Å; K502-N668 PolarHBondContact NZ-OD1 3.15Å; F626-N668 HydrophobicContact CE1-CB 4.2Å; N668-R679 PolarHBondContact N-O 3.33Å; N668-D680 HydrophobicContact CB-CB 3.69Å; N668-D680 PolarHBondContact ND2-OD2 3.42Å; N668-D680 VanDerWaalsContact ND2-OD2 3.16Å
669	E	88	Confident	88.7	Confident	59 Å²	59	45.3 Å²	45.3	28%	0.276	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	150.3	-175.5	69.4	176.3	-170.6	0	0	112.7	R679	E669-R679 HydrophobicContact CG-CB 3.59Å; E669-R679 HydrophobicContact CG-CG 4.33Å; E669-R679 PolarHBondContact O-N 3.31Å; E669-R679 VanDerWaalsContact O-N 3.08Å; E669-R679 WeakPolarHBondContact OE1-CD 3.45Å; E669-R679 IonicContact OE1-CZ 2.69Å; E669-R679 IonicContact OE1-NE 3.69Å; E669-R679 IonicContact OE1-NH1 3.78Å; E669-R679 PolarHBondContact OE1-NH1 3.27Å
670	L	88.7	Confident	89.1	Confident	7 Å²	7	43.7 Å²	43.7	4%	0.037	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.7	167.3	-76.8	166.6	0	0	0	109.2	V382 A649 F667 L676 Y677 L678	V382-L670 HydrophobicContact CB-CD1 3.94Å; V382-L670 HydrophobicContact CG1-CD1 3.79Å; A649-L670 HydrophobicContact CB-CD2 4.02Å; F667-L670 HydrophobicContact CD2-CG 4.37Å; F667-L670 HydrophobicContact CE2-CD1 4.13Å; F667-L670 HydrophobicContact CE2-CD2 4.23Å; F667-L670 HydrophobicContact CE2-CG 3.66Å; F667-L670 HydrophobicContact CZ-CD1 4.2Å; F667-L670 HydrophobicContact CZ-CD2 4.45Å; F667-L670 HydrophobicContact CZ-CG 4.12Å; L670-L676 HydrophobicContact CB-CD2 4.23Å; L670-L676 HydrophobicContact CD1-CD2 4.32Å; L670-L676 HydrophobicContact CD2-CD2 3.84Å; L670-L676 HydrophobicContact CG-CD2 4.36Å; L670-Y677 WeakPolarHBondContact CA-O 3.38Å; L670-L678 HydrophobicContact CD2-CD2 3.4Å; L670-L678 VanDerWaalsContact CD2-CD2 3.4Å
671	T	83.4	Confident	89.4	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.8	175	-60.2	0	0	0	0	109.9	T673 Y677	T671-T673 HydrophobicContact CG2-CG2 4.27Å; T671-Y677 PolarHBondContact N-O 3.41Å; T671-Y677 PolarHBondContact O-N 3.13Å
672	F	81.8	Confident	89.6	Confident	67 Å²	67	33.8 Å²	33.8	29%	0.294	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	123	171.8	-174.3	-92.7	0	0	0	109.6	M384 L385 R386 L676	M384-F672 HydrophobicContact CE-CB 4.09Å; M384-F672 HydrophobicContact CE-CG 4.42Å; L385-F672 PolarHBondContact O-N 3.23Å; R386-F672 HydrophobicContact CG-CB 4.13Å; R386-F672 HydrophobicContact CG-CD1 4.32Å; R386-F672 HydrophobicContact CG-CG 4.47Å; F672-L676 HydrophobicContact CD2-CD1 4.19Å; F672-L676 HydrophobicContact CD2-CG 4.06Å
673	T	74	Confident	89.7	Confident	67 Å²	67	34.8 Å²	34.8	41%	0.411	18%	0.182	S	C	.	.	S	Bend	trans	-117.6	-90.4	168.6	52.4	0	0	0	0	108.4	T671 Q675 Y677	T671-T673 HydrophobicContact CG2-CG2 4.27Å; T673-Q675 PolarHBondContact N-O 3.32Å; T673-Y677 WeakPolarHBondContact OG1-CE2 3.5Å
674	N	78.9	Confident	89.8	Confident	154 Å²	154	31.8 Å²	31.8	82%	0.824	16%	0.16	S	C	*	.	S	Bend	trans	-99	-21.4	170.4	-59.3	0.4	0	0	0	111.3
675	Q	86.2	Confident	89.5	Confident	73 Å²	73	34 Å²	34	34%	0.341	18%	0.176	S	C	.	.	S	Bend	trans	-147.3	170.2	173.7	61.4	-169.8	-16	0	0	108.7	T673 Y677	T673-Q675 PolarHBondContact N-O 3.32Å; Q675-Y677 HydrophobicContact CG-CD2 4.18Å; Q675-Y677 HydrophobicContact CG-CE1 4.18Å; Q675-Y677 HydrophobicContact CG-CE2 3.48Å; Q675-Y677 VanDerWaalsContact CG-CE2 3.48Å; Q675-Y677 VanDerWaalsContact NE2-CZ 3.28Å; Q675-Y677 PolarHBondContact NE2-OH 3.4Å; Q675-Y677 VanDerWaalsContact O-CD2 3.27Å; Q675-Y677 WeakPolarHBondContact O-CD2 3.49Å
676	L	89.3	Confident	88.9	Confident	33 Å²	33	40.4 Å²	40.4	17%	0.173	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	131.4	176.6	-92.4	123.9	0	0	0	111.5	A649 K650 L670 F672	A649-L676 WeakPolarHBondContact CA-O 3.35Å; A649-L676 HydrophobicContact CB-CB 3.88Å; K650-L676 PolarHBondContact N-O 3.06Å; L670-L676 HydrophobicContact CB-CD2 4.23Å; L670-L676 HydrophobicContact CD1-CD2 4.32Å; L670-L676 HydrophobicContact CD2-CD2 3.84Å; L670-L676 HydrophobicContact CG-CD2 4.36Å; F672-L676 HydrophobicContact CD2-CD1 4.19Å; F672-L676 HydrophobicContact CD2-CG 4.06Å
677	Y	91.4	Very high	88.2	Confident	37 Å²	37	47.1 Å²	47.1	15%	0.145	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.9	177.2	-68	-80.3	0	0	0	112.9	K650 H652 P653 L670 T671 T673 Q675	K650-Y677 HydrophobicContact CB-CD1 4.11Å; K650-Y677 HydrophobicContact CB-CE1 4.29Å; K650-Y677 CarbonylContact O-C 3.6Å; K650-Y677 WeakPolarHBondContact O-CA 3.09Å; H652-Y677 HydrophobicContact CB-CD1 4.43Å; H652-Y677 AromaticContact CD2-CG 3.88Å; P653-Y677 HydrophobicContact CG-CE1 4.26Å; L670-Y677 WeakPolarHBondContact CA-O 3.38Å; T671-Y677 PolarHBondContact N-O 3.41Å; T671-Y677 PolarHBondContact O-N 3.13Å; T673-Y677 WeakPolarHBondContact OG1-CE2 3.5Å; Q675-Y677 HydrophobicContact CG-CD2 4.18Å; Q675-Y677 HydrophobicContact CG-CE1 4.18Å; Q675-Y677 HydrophobicContact CG-CE2 3.48Å; Q675-Y677 VanDerWaalsContact CG-CE2 3.48Å; Q675-Y677 VanDerWaalsContact NE2-CZ 3.28Å; Q675-Y677 PolarHBondContact NE2-OH 3.4Å; Q675-Y677 VanDerWaalsContact O-CD2 3.27Å; Q675-Y677 WeakPolarHBondContact O-CD2 3.49Å
678	L	93	Very high	87.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	127.2	170.1	-53.3	-174.8	0	0	0	109.8	A631 Y640 V642 A649 K650 H652 L665 F667 L670 V681	A631-L678 HydrophobicContact CB-CD1 4.2Å; Y640-L678 HydrophobicContact CD2-CD1 4.44Å; Y640-L678 HydrophobicContact CG-CD1 4.11Å; V642-L678 HydrophobicContact CG2-CD2 4.35Å; A649-L678 HydrophobicContact CB-CD2 3.52Å; A649-L678 HydrophobicContact CB-CG 3.8Å; K650-L678 PolarHBondContact O-N 3.12Å; H652-L678 WeakPolarHBondContact CB-O 3.46Å; H652-L678 PolarHBondContact N-O 3.24Å; L665-L678 HydrophobicContact CD1-CD1 3.57Å; L665-L678 HydrophobicContact CD2-CD1 4.46Å; F667-L678 HydrophobicContact CB-CB 4.1Å; F667-L678 HydrophobicContact CB-CD2 4.47Å; F667-L678 HydrophobicContact CD1-CD1 4.35Å; F667-L678 HydrophobicContact CD1-CD2 3.75Å; F667-L678 HydrophobicContact CD2-CD2 4.25Å; F667-L678 HydrophobicContact CE1-CD2 3.99Å; F667-L678 HydrophobicContact CE2-CD2 4.48Å; F667-L678 HydrophobicContact CG-CB 4.41Å; F667-L678 HydrophobicContact CG-CD2 3.9Å; F667-L678 HydrophobicContact CZ-CD2 4.36Å; L670-L678 HydrophobicContact CD2-CD2 3.4Å; L670-L678 VanDerWaalsContact CD2-CD2 3.4Å; L678-V681 HydrophobicContact CB-CG2 3.93Å
679	R	91.2	Very high	86.9	Confident	53 Å²	53	47.2 Å²	47.2	20%	0.2	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	155.6	177.3	-79.8	-175.6	153.8	-165.6	-6.5	112.8	H652 N668 E669	H652-R679 HydrophobicContact CB-CG 3.7Å; N668-R679 PolarHBondContact N-O 3.33Å; E669-R679 HydrophobicContact CG-CB 3.59Å; E669-R679 HydrophobicContact CG-CG 4.33Å; E669-R679 PolarHBondContact O-N 3.31Å; E669-R679 VanDerWaalsContact O-N 3.08Å; E669-R679 WeakPolarHBondContact OE1-CD 3.45Å; E669-R679 IonicContact OE1-CZ 2.69Å; E669-R679 IonicContact OE1-NE 3.69Å; E669-R679 IonicContact OE1-NH1 3.78Å; E669-R679 PolarHBondContact OE1-NH1 3.27Å
680	D	93.2	Very high	86.3	Confident	34 Å²	34	47.5 Å²	47.5	18%	0.182	25%	0.246	C	C	.	.	S	Bend	trans	50.5	61.4	-177.5	-45.6	-49	0	0	0	112.1	L526 L555 M558 N668	L526-D680 HydrophobicContact CD2-CB 4.13Å; L555-D680 HydrophobicContact CD2-CB 3.81Å; M558-D680 HydrophobicContact CE-CB 3.8Å; M558-D680 WeakPolarHBondContact CE-OD1 3.48Å; N668-D680 HydrophobicContact CB-CB 3.69Å; N668-D680 PolarHBondContact ND2-OD2 3.42Å; N668-D680 VanDerWaalsContact ND2-OD2 3.16Å
681	V	95.3	Very high	85.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.			trans	-85.5	144.3	-168	177.3	0	0	0	0	111.3	G553 D554 I651 L657 L665 L666 F667 L678	G553-V681 CarbonylContact C-O 3.59Å; G553-V681 WeakPolarHBondContact CA-O 3.45Å; D554-V681 WeakPolarHBondContact CB-O 3.1Å; D554-V681 PolarHBondContact N-O 3.14Å; D554-V681 PolarHBondContact OD2-N 3.39Å; I651-V681 HydrophobicContact CG2-CG2 4.45Å; L657-V681 HydrophobicContact CD1-CB 4.34Å; L657-V681 HydrophobicContact CD1-CG1 3.81Å; L665-V681 HydrophobicContact CB-CG1 3.74Å; L665-V681 HydrophobicContact CD1-CG1 3.93Å; L665-V681 HydrophobicContact CD2-CG1 3.71Å; L665-V681 HydrophobicContact CG-CG1 3.99Å; L666-V681 CarbonylContact O-C 3.59Å; L666-V681 VanDerWaalsContact O-CA 3.23Å; L666-V681 WeakPolarHBondContact O-CA 3.3Å; F667-V681 HydrophobicContact CB-CG2 4.32Å; L678-V681 HydrophobicContact CB-CG2 3.93Å
682	T	95.3	Very high	84.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	134.1	172.8	-67.4	0	0	0	0	111	E552 L555 C619 L665 L666	E552-T682 CarbonylContact O-C 3.59Å; E552-T682 VanDerWaalsContact O-CA 3.26Å; E552-T682 WeakPolarHBondContact O-CA 3.38Å; E552-T682 WeakPolarHBondContact O-CG2 3.44Å; L555-T682 WeakPolarHBondContact CB-OG1 3.34Å; L555-T682 WeakPolarHBondContact CD1-OG1 3.47Å; L555-T682 WeakPolarHBondContact CG-OG1 3.11Å; L555-T682 PolarHBondContact N-OG1 2.82Å; C619-T682 VanDerWaalsContact SG-CG2 3.54Å; L665-T682 CarbonylContact C-O 3.5Å; L665-T682 VanDerWaalsContact CA-O 3.23Å; L665-T682 WeakPolarHBondContact CA-O 3.44Å; L665-T682 WeakPolarHBondContact CB-O 3.37Å; L666-T682 PolarHBondContact N-O 3.18Å; L666-T682 PolarHBondContact O-N 3.24Å
683	V	94.2	Very high	83.5	Confident	43 Å²	43	54.2 Å²	54.2	26%	0.261	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	136.8	-179.5	-175.2	0	0	0	0	109.9	P551 E552 L657 P662	P551-V683 WeakPolarHBondContact O-CG2 3.3Å; E552-V683 PolarHBondContact O-N 3Å; L657-V683 HydrophobicContact CD1-CG2 3.67Å; L657-V683 HydrophobicContact CD2-CG2 4.31Å; P662-V683 HydrophobicContact CB-CG1 4.03Å; P662-V683 HydrophobicContact CB-CG2 3.8Å; P662-V683 HydrophobicContact CG-CG2 4.16Å
684	I	92.5	Very high	82.7	Confident	8 Å²	8	54.6 Å²	54.6	4%	0.041	30%	0.299	C	S	.	.			trans	-127.1	150	172.4	60.2	174.5	0	0	0	109.7	C619 L623 C664 L666 L689	C619-I684 HydrophobicContact CB-CG2 4.37Å; L623-I684 HydrophobicContact CD1-CD1 3.93Å; C664-I684 HydrophobicContact CB-CG1 3.92Å; C664-I684 PolarHBondContact O-N 3.32Å; L666-I684 HydrophobicContact CD1-CG2 3.66Å; L666-I684 HydrophobicContact CD2-CD1 3.89Å; L666-I684 HydrophobicContact CG-CD1 3.97Å; L666-I684 HydrophobicContact CG-CG2 3.64Å; I684-L689 HydrophobicContact CD1-CD1 3.84Å; I684-L689 HydrophobicContact CD1-CD2 3.88Å; I684-L689 HydrophobicContact CD1-CG 3.58Å; I684-L689 HydrophobicContact CG1-CD1 4.3Å; I684-L689 HydrophobicContact CG1-CG 4.41Å
685	S	86.7	Confident	81.7	Confident	51 Å²	51	50.2 Å²	50.2	36%	0.357	27%	0.273	S	S	.	.			trans	-76	151.7	173.2	73.4	0	0	0	0	110.8	E687 C688 L689	S685-E687 PolarHBondContact O-N 3.15Å; S685-C688 PolarHBondContact O-N 3.04Å; S685-C688 VanDerWaalsContact O-N 3.13Å; S685-C688 PolarHBondContact OG-N 3.37Å; S685-C688 PolarHBondContact OG-SG 3.37Å; S685-L689 PolarHBondContact O-N 3.11Å
686	Q	81.7	Confident	80	Confident	135 Å²	135	47.6 Å²	47.6	63%	0.631	26%	0.262	S	S	*	.	H	α-helix	trans	-61	-31.9	173.5	-78.4	-176.4	-2	0	0	112.3	C664 C688 L689 S690	C664-Q686 WeakPolarHBondContact SG-CG 3.38Å; Q686-C688 VanDerWaalsContact C-N 3.33Å; Q686-C688 PolarHBondContact O-N 3.27Å; Q686-L689 WeakPolarHBondContact O-CB 3.33Å; Q686-L689 PolarHBondContact O-N 3.43Å; Q686-S690 PolarHBondContact O-N 3.02Å; Q686-S690 VanDerWaalsContact O-N 3.13Å
687	E	81.2	Confident	77.6	Confident	140 Å²	140	53.1 Å²	53.1	65%	0.654	30%	0.296	S	S	*	.	H	α-helix	trans	-62.4	-38.8	173.9	-62.7	172	178.7	0	0	112.1	S685 L689 S690 E691	S685-E687 PolarHBondContact O-N 3.15Å; E687-L689 VanDerWaalsContact C-N 3.28Å; E687-L689 PolarHBondContact O-N 3.45Å; E687-S690 PolarHBondContact O-N 3Å; E687-S690 PolarHBondContact O-OG 3.47Å; E687-E691 PolarHBondContact O-N 3.5Å
688	C	80.9	Confident	76.9	Confident	7 Å²	7	53.9 Å²	53.9	5%	0.047	30%	0.304	C	S	.	.	H	α-helix	trans	-67.2	-34.9	176.3	-62.5	0	0	0	0	110.7	R620 L623 S685 Q686 S690 E691	R620-C688 HydrophobicContact CG-CB 4.48Å; R620-C688 WeakPolarHBondContact CG-SG 3.46Å; R620-C688 PolarHBondContact NE-SG 3.07Å; L623-C688 HydrophobicContact CD2-CB 3.8Å; L623-C688 WeakPolarHBondContact CD2-O 3.43Å; S685-C688 PolarHBondContact O-N 3.04Å; S685-C688 VanDerWaalsContact O-N 3.13Å; S685-C688 PolarHBondContact OG-N 3.37Å; S685-C688 PolarHBondContact OG-SG 3.37Å; Q686-C688 VanDerWaalsContact C-N 3.33Å; Q686-C688 PolarHBondContact O-N 3.27Å; C688-S690 VanDerWaalsContact C-N 3.33Å; C688-S690 PolarHBondContact O-N 3.09Å; C688-E691 WeakPolarHBondContact O-CB 3.46Å; C688-E691 PolarHBondContact O-N 3.33Å
689	L	78.2	Confident	76	Confident	21 Å²	21	56.7 Å²	56.7	11%	0.11	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-35.4	175.1	-86.1	162.1	0	0	0	112.7	A630 V632 L643 C664 I684 S685 Q686 E687 E691 L692	A630-L689 HydrophobicContact CB-CD2 3.91Å; V632-L689 HydrophobicContact CG1-CD1 4.4Å; L643-L689 HydrophobicContact CD1-CD2 3.71Å; C664-L689 HydrophobicContact CB-CD1 3.53Å; C664-L689 VanDerWaalsContact SG-CD1 3.54Å; I684-L689 HydrophobicContact CD1-CD1 3.84Å; I684-L689 HydrophobicContact CD1-CD2 3.88Å; I684-L689 HydrophobicContact CD1-CG 3.58Å; I684-L689 HydrophobicContact CG1-CD1 4.3Å; I684-L689 HydrophobicContact CG1-CG 4.41Å; S685-L689 PolarHBondContact O-N 3.11Å; Q686-L689 WeakPolarHBondContact O-CB 3.33Å; Q686-L689 PolarHBondContact O-N 3.43Å; E687-L689 VanDerWaalsContact C-N 3.28Å; E687-L689 PolarHBondContact O-N 3.45Å; L689-E691 VanDerWaalsContact C-N 3.26Å; L689-E691 PolarHBondContact O-N 3.44Å; L689-L692 HydrophobicContact CD2-CD1 4.37Å; L689-L692 WeakPolarHBondContact O-CA 3.4Å; L689-L692 VanDerWaalsContact O-CB 3.31Å; L689-L692 WeakPolarHBondContact O-CB 3.43Å; L689-L692 PolarHBondContact O-N 3.13Å
690	S	75.3	Confident	75.2	Confident	65 Å²	65	56.9 Å²	56.9	46%	0.455	33%	0.327	S	S	.	.	H	α-helix	trans	-68.6	-25.9	178.8	65.3	0	0	0	0	112.7	Q686 E687 C688 L692 N693	Q686-S690 PolarHBondContact O-N 3.02Å; Q686-S690 VanDerWaalsContact O-N 3.13Å; E687-S690 PolarHBondContact O-N 3Å; E687-S690 PolarHBondContact O-OG 3.47Å; C688-S690 VanDerWaalsContact C-N 3.33Å; C688-S690 PolarHBondContact O-N 3.09Å; S690-L692 PolarHBondContact O-N 3.16Å; S690-L692 VanDerWaalsContact O-N 3.13Å; S690-N693 WeakPolarHBondContact O-CB 3.43Å; S690-N693 PolarHBondContact O-N 3.38Å; S690-N693 VanDerWaalsContact O-N 3.09Å
691	E	71.7	Confident	74.1	Confident	97 Å²	97	58.3 Å²	58.3	45%	0.453	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.6	168.9	-60.6	-177	-175.5	0	0	112.3	E687 C688 L689	E687-E691 PolarHBondContact O-N 3.5Å; C688-E691 WeakPolarHBondContact O-CB 3.46Å; C688-E691 PolarHBondContact O-N 3.33Å; L689-E691 VanDerWaalsContact C-N 3.26Å; L689-E691 PolarHBondContact O-N 3.44Å
692	L	66	Low	72.8	Confident	4 Å²	4	61.9 Å²	61.9	2%	0.021	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	5.3	178.3	-64.9	173	0	0	0	114.5	L623 F627 L689 S690 G694 K695 V696	L623-L692 HydrophobicContact CD1-CD1 3.26Å; L623-L692 HydrophobicContact CD1-CG 4.31Å; L623-L692 HydrophobicContact CD2-CD1 3.69Å; L623-L692 HydrophobicContact CD2-CG 3.88Å; L623-L692 HydrophobicContact CG-CD1 3.38Å; L623-L692 HydrophobicContact CG-CD2 4.25Å; L623-L692 HydrophobicContact CG-CG 3.91Å; F627-L692 HydrophobicContact CB-CD1 3.57Å; F627-L692 HydrophobicContact CB-CD2 3.92Å; F627-L692 HydrophobicContact CB-CG 4.39Å; L689-L692 HydrophobicContact CD2-CD1 4.37Å; L689-L692 WeakPolarHBondContact O-CA 3.4Å; L689-L692 VanDerWaalsContact O-CB 3.31Å; L689-L692 WeakPolarHBondContact O-CB 3.43Å; L689-L692 PolarHBondContact O-N 3.13Å; S690-L692 PolarHBondContact O-N 3.16Å; S690-L692 VanDerWaalsContact O-N 3.13Å; L692-G694 PolarHBondContact O-N 3.21Å; L692-K695 HydrophobicContact CD2-CB 4.24Å; L692-K695 HydrophobicContact CD2-CD 4.13Å; L692-K695 PolarHBondContact O-N 3.3Å; L692-V696 HydrophobicContact CB-CB 4.48Å; L692-V696 HydrophobicContact CB-CG2 3.69Å; L692-V696 HydrophobicContact CD1-CG2 3.59Å; L692-V696 HydrophobicContact CG-CG2 4.23Å; L692-V696 PolarHBondContact O-N 3.04Å; L692-V696 VanDerWaalsContact O-N 3.09Å
693	N	56.6	Low	71.3	Confident	117 Å²	117	66.1 Å²	66.1	63%	0.626	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-18.1	-173.4	-88.6	-12.3	0	0	0	114.5	S690	S690-N693 WeakPolarHBondContact O-CB 3.43Å; S690-N693 PolarHBondContact O-N 3.38Å; S690-N693 VanDerWaalsContact O-N 3.09Å
694	G	57.7	Low	69.7	Low	74 Å²	74	67.7 Å²	67.7	76%	0.763	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-1.2	171.2	0	0	0	0	0	116.6	L692	L692-G694 PolarHBondContact O-N 3.21Å
695	K	58.2	Low	67.9	Low	62 Å²	62	72.3 Å²	72.3	27%	0.27	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-33.3	-176.5	-67.7	-173.2	-179.7	-179.8	0	114.1	K473 F627 L692	K473-K695 WeakPolarHBondContact CD-O 3.16Å; K473-K695 WeakPolarHBondContact CE-O 3.49Å; K473-K695 PolarHBondContact NZ-O 2.81Å; F627-K695 HydrophobicContact CD2-CB 4.46Å; L692-K695 HydrophobicContact CD2-CB 4.24Å; L692-K695 HydrophobicContact CD2-CD 4.13Å; L692-K695 PolarHBondContact O-N 3.3Å
696	V	50.6	Low	66.4	Low	18 Å²	18	74.1 Å²	74.1	11%	0.109	42%	0.42	C	S	.	.			trans	-86.9	-44.1	-175.7	172.8	0	0	0	0	112	K473 F627 L643 L692	K473-V696 PolarHBondContact NZ-O 2.8Å; F627-V696 HydrophobicContact CB-CG2 3.87Å; F627-V696 HydrophobicContact CD2-CG2 4.1Å; F627-V696 HydrophobicContact CG-CG2 4.48Å; L643-V696 HydrophobicContact CB-CG1 3.7Å; L643-V696 HydrophobicContact CD1-CG1 4.1Å; L692-V696 HydrophobicContact CB-CB 4.48Å; L692-V696 HydrophobicContact CB-CG2 3.69Å; L692-V696 HydrophobicContact CD1-CG2 3.59Å; L692-V696 HydrophobicContact CG-CG2 4.23Å; L692-V696 PolarHBondContact O-N 3.04Å; L692-V696 VanDerWaalsContact O-N 3.09Å
697	V	38.7	Very low	65	Low	149 Å²	149	68.5 Å²	68.5	90%	0.903	40%	0.401	S	S	*	.			trans	-71.4	0	167.4	-165	0	0	0	0	108.7	K473	K473-V697 PolarHBondContact NZ-OXT 3.35Å

Retrieved 697 of 697 residues in 506.6 ms (Link to these results)

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