A0A077Z1M8_TRITR Loading...

Protein slowmo

AlphaFold DB , UniProt , Accession A0A077Z1M8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 781 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	24	Very low	25.1	Very low	91 Å²	91	117.1 Å²	117.1	45%	0.448	64%	0.641	S	S	.	*				0	91.8	0	-85.3	169.9	167.5	0	0	110	H3 M125 K126 P128	M1-H3 HydrophobicContact CB-CB 4.27Å; M1-H3 WeakPolarHBondContact CE-CD2 3.32Å; M1-H3 WeakPolarHBondContact CE-NE2 3.28Å; M1-H3 WeakPolarHBondContact CG-CD2 3.13Å; M1-H3 PolarHBondContact O-N 3.18Å; M1-H3 VanDerWaalsContact O-N 3.15Å; M1-H3 PolarHBondContact SD-CD2 3.47Å; M1-M125 VanDerWaalsContact CA-SD 3.59Å; M1-M125 HydrophobicContact CB-CB 4.43Å; M1-M125 HydrophobicContact CB-CG 4.1Å; M1-M125 HydrophobicContact CB-SD 3.71Å; M1-M125 PolarHBondContact N-SD 3.29Å; M1-M125 VanDerWaalsContact O-CE 3.32Å; M1-M125 WeakPolarHBondContact O-CE 3.23Å; M1-K126 WeakPolarHBondContact CE-O 3.47Å; M1-K126 VanDerWaalsContact SD-O 3.39Å; M1-P128 HydrophobicContact CE-CG 4.02Å
2	L	20.7	Very low	25.4	Very low	176 Å²	176	116.6 Å²	116.6	92%	0.921	64%	0.637	S	S	*	*			trans	-63.2	96.6	130.4	-88.2	155.4	0	0	0	105
3	H	22.1	Very low	25.9	Very low	138 Å²	138	111.8 Å²	111.8	64%	0.639	62%	0.622	S	S	*	*			trans	-109.9	136.2	161.1	-96.6	-31.1	0	0	0	108.5	M1	M1-H3 HydrophobicContact CB-CB 4.27Å; M1-H3 WeakPolarHBondContact CE-CD2 3.32Å; M1-H3 WeakPolarHBondContact CE-NE2 3.28Å; M1-H3 WeakPolarHBondContact CG-CD2 3.13Å; M1-H3 PolarHBondContact O-N 3.18Å; M1-H3 VanDerWaalsContact O-N 3.15Å; M1-H3 PolarHBondContact SD-CD2 3.47Å
4	A	24.2	Very low	26.2	Very low	90 Å²	90	111.5 Å²	111.5	74%	0.744	62%	0.619	S	S	*	*			trans	68	64.7	160.3	0	0	0	0	0	116.7	N6	A4-N6 VanDerWaalsContact C-N 3.29Å; A4-N6 PolarHBondContact O-N 3.14Å
5	T	22.4	Very low	26.3	Very low	132 Å²	132	106.8 Å²	106.8	81%	0.81	60%	0.6	S	S	*	*	S	Bend	trans	-76	93.8	139.1	29.3	0	0	0	0	108.8
6	N	26.6	Very low	26.7	Very low	89 Å²	89	104.3 Å²	104.3	48%	0.476	59%	0.592	S	S	.	*			trans	56.1	76.7	143.3	-63.1	-14.2	0	0	0	117.7	A4 S8 T9	A4-N6 VanDerWaalsContact C-N 3.29Å; A4-N6 PolarHBondContact O-N 3.14Å; N6-S8 PolarHBondContact O-N 3.12Å; N6-T9 HydrophobicContact CB-CG2 4.41Å; N6-T9 PolarHBondContact O-OG1 3.29Å
7	A	28	Very low	27	Very low	83 Å²	83	108.1 Å²	108.1	69%	0.686	60%	0.595	S	S	*	*	H	α-helix	trans	-62.3	-12	149.8	0	0	0	0	0	112.6	R11	A7-R11 PolarHBondContact O-N 3.5Å
8	S	27	Very low	27.3	Very low	60 Å²	60	110.6 Å²	110.6	42%	0.42	60%	0.599	S	S	.	*	H	α-helix	trans	-70	-44.5	176.2	56.6	0	0	0	0	112.8	N6 K10 R11 D12	N6-S8 PolarHBondContact O-N 3.12Å; S8-K10 PolarHBondContact O-N 3.14Å; S8-R11 PolarHBondContact O-N 3.33Å; S8-R11 VanDerWaalsContact O-N 3.08Å; S8-D12 PolarHBondContact O-N 3.12Å
9	T	27.3	Very low	27.6	Very low	86 Å²	86	110.6 Å²	110.6	53%	0.528	60%	0.599	S	S	.	*	H	α-helix	trans	-68.5	-34.5	-177.9	45.7	0	0	0	0	112.9	N6 D12 A13	N6-T9 HydrophobicContact CB-CG2 4.41Å; N6-T9 PolarHBondContact O-OG1 3.29Å; T9-D12 PolarHBondContact O-N 3.24Å; T9-A13 PolarHBondContact O-N 2.84Å; T9-A13 VanDerWaalsContact O-N 3.12Å
10	K	26.8	Very low	28.1	Very low	145 Å²	145	106.5 Å²	106.5	63%	0.63	58%	0.577	S	S	*	*	H	α-helix	trans	-69.2	-31.5	171.1	-85.2	-171.3	175.3	-175.1	0	112.8	S8 N14	S8-K10 PolarHBondContact O-N 3.14Å; K10-N14 WeakPolarHBondContact O-CB 3.29Å; K10-N14 PolarHBondContact O-N 2.95Å
11	R	27.4	Very low	28.7	Very low	198 Å²	198	105.6 Å²	105.6	75%	0.747	57%	0.571	S	S	*	*	H	α-helix	trans	-70.1	-39.3	172.7	-91.3	-172.8	179.1	179.7	0.5	111.8	A7 S8 N14 A15	A7-R11 PolarHBondContact O-N 3.5Å; S8-R11 PolarHBondContact O-N 3.33Å; S8-R11 VanDerWaalsContact O-N 3.08Å; R11-N14 PolarHBondContact O-N 3.48Å; R11-A15 WeakPolarHBondContact O-CB 3.19Å; R11-A15 PolarHBondContact O-N 2.89Å
12	D	28.5	Very low	29.4	Very low	111 Å²	111	106.4 Å²	106.4	59%	0.594	57%	0.574	S	S	*	*	H	α-helix	trans	-71.7	-38.7	-178.7	-69.8	-25.8	0	0	0	112.8	S8 T9 A15 S16	S8-D12 PolarHBondContact O-N 3.12Å; T9-D12 PolarHBondContact O-N 3.24Å; D12-A15 PolarHBondContact O-N 2.89Å; D12-S16 WeakPolarHBondContact O-CB 3.46Å; D12-S16 PolarHBondContact O-N 3.24Å; D12-S16 PolarHBondContact O-OG 3.12Å
13	A	31	Very low	30.3	Very low	54 Å²	54	101.3 Å²	101.3	45%	0.446	54%	0.542	S	S	.	.	H	α-helix	trans	-67.9	-37.3	175.1	0	0	0	0	0	112.6	T9 S16 R17	T9-A13 PolarHBondContact O-N 2.84Å; T9-A13 VanDerWaalsContact O-N 3.12Å; A13-S16 PolarHBondContact O-OG 3.42Å; A13-R17 PolarHBondContact O-N 3.4Å; A13-R17 VanDerWaalsContact O-N 3.14Å
14	N	30.3	Very low	31.3	Very low	108 Å²	108	96.1 Å²	96.1	58%	0.578	52%	0.519	S	S	*	.	H	α-helix	trans	-72.4	-38.1	173	-80.3	-11.3	0	0	0	111.4	K10 R11 R17 F18	K10-N14 WeakPolarHBondContact O-CB 3.29Å; K10-N14 PolarHBondContact O-N 2.95Å; R11-N14 PolarHBondContact O-N 3.48Å; N14-R17 PolarHBondContact O-N 3.16Å; N14-F18 VanDerWaalsContact O-CB 3.27Å; N14-F18 WeakPolarHBondContact O-CB 3.35Å; N14-F18 PolarHBondContact O-N 3.33Å
15	A	28.3	Very low	32.1	Very low	41 Å²	41	101.4 Å²	101.4	34%	0.339	52%	0.52	S	S	.	.	H	α-helix	trans	-65.9	-37.8	176.4	0	0	0	0	0	111.9	R11 D12 N19	R11-A15 WeakPolarHBondContact O-CB 3.19Å; R11-A15 PolarHBondContact O-N 2.89Å; D12-A15 PolarHBondContact O-N 2.89Å; A15-N19 WeakPolarHBondContact O-CB 3.38Å; A15-N19 PolarHBondContact O-N 3.37Å; A15-N19 PolarHBondContact O-ND2 3.46Å
16	S	32.7	Very low	32.9	Very low	67 Å²	67	99.8 Å²	99.8	47%	0.469	51%	0.506	S	S	.	.	H	α-helix	trans	-66.8	-46.3	174.9	69.5	0	0	0	0	111.4	D12 A13 F18 N19 V20	D12-S16 WeakPolarHBondContact O-CB 3.46Å; D12-S16 PolarHBondContact O-N 3.24Å; D12-S16 PolarHBondContact O-OG 3.12Å; A13-S16 PolarHBondContact O-OG 3.42Å; S16-F18 PolarHBondContact O-N 3.44Å; S16-N19 PolarHBondContact O-N 3.4Å; S16-V20 WeakPolarHBondContact O-CB 3.28Å; S16-V20 VanDerWaalsContact O-CG2 3.25Å; S16-V20 WeakPolarHBondContact O-CG2 3.29Å; S16-V20 PolarHBondContact O-N 3.41Å
17	R	31.7	Very low	33.6	Very low	169 Å²	169	98.5 Å²	98.5	64%	0.638	50%	0.497	S	S	*	.	H	α-helix	trans	-60.4	-44.3	173.8	-88.1	-174.4	172.2	179.1	-0.9	112.6	A13 N14 V20 I21	A13-R17 PolarHBondContact O-N 3.4Å; A13-R17 VanDerWaalsContact O-N 3.14Å; N14-R17 PolarHBondContact O-N 3.16Å; R17-V20 PolarHBondContact O-N 3.26Å; R17-I21 WeakPolarHBondContact O-CG1 3.32Å; R17-I21 PolarHBondContact O-N 3.21Å
18	F	31.7	Very low	34.2	Very low	153 Å²	153	96 Å²	96	67%	0.671	47%	0.472	S	S	*	.	H	α-helix	trans	-67.2	-41.4	179.9	-138.2	-87.1	0	0	0	111.2	N14 S16 V20 I21 H22	N14-F18 VanDerWaalsContact O-CB 3.27Å; N14-F18 WeakPolarHBondContact O-CB 3.35Å; N14-F18 PolarHBondContact O-N 3.33Å; S16-F18 PolarHBondContact O-N 3.44Å; F18-V20 VanDerWaalsContact C-N 3.31Å; F18-V20 PolarHBondContact O-N 3.3Å; F18-I21 PolarHBondContact O-N 3.16Å; F18-H22 WeakPolarHBondContact O-CB 3.23Å; F18-H22 PolarHBondContact O-N 3.47Å
19	N	33.8	Very low	34.6	Very low	111 Å²	111	97 Å²	97	59%	0.594	48%	0.478	S	S	*	.	H	α-helix	trans	-63.7	-36.5	175	-77.7	-21.2	0	0	0	111.8	A15 S16 W23	A15-N19 WeakPolarHBondContact O-CB 3.38Å; A15-N19 PolarHBondContact O-N 3.37Å; A15-N19 PolarHBondContact O-ND2 3.46Å; S16-N19 PolarHBondContact O-N 3.4Å; N19-W23 WeakPolarHBondContact O-CB 3.35Å; N19-W23 PolarHBondContact O-N 2.87Å
20	V	37.7	Very low	35	Very low	27 Å²	27	101.1 Å²	101.1	16%	0.164	50%	0.495	C	S	.	.	H	α-helix	trans	-66	-50.5	175.1	164.9	0	0	0	0	111.5	S16 R17 F18 H22 W23 L24 Y96	S16-V20 WeakPolarHBondContact O-CB 3.28Å; S16-V20 VanDerWaalsContact O-CG2 3.25Å; S16-V20 WeakPolarHBondContact O-CG2 3.29Å; S16-V20 PolarHBondContact O-N 3.41Å; R17-V20 PolarHBondContact O-N 3.26Å; F18-V20 VanDerWaalsContact C-N 3.31Å; F18-V20 PolarHBondContact O-N 3.3Å; V20-H22 VanDerWaalsContact C-N 3.33Å; V20-H22 PolarHBondContact O-N 3.18Å; V20-W23 PolarHBondContact O-N 3.41Å; V20-L24 HydrophobicContact CG1-CD1 3.91Å; V20-L24 HydrophobicContact CG1-CG 4.46Å; V20-L24 WeakPolarHBondContact O-CB 3.21Å; V20-L24 VanDerWaalsContact O-CG 3.26Å; V20-L24 WeakPolarHBondContact O-CG 3.46Å; V20-L24 PolarHBondContact O-N 2.91Å; V20-Y96 WeakPolarHBondContact CG1-OH 3.49Å; V20-Y96 HydrophobicContact CG2-CE1 3.62Å
21	I	39.8	Very low	35.4	Very low	89 Å²	89	96.6 Å²	96.6	46%	0.456	48%	0.478	S	S	.	.	H	α-helix	trans	-64.8	-40.3	-179.7	-65.2	170.3	0	0	0	110.6	R17 F18 L24 R25	R17-I21 WeakPolarHBondContact O-CG1 3.32Å; R17-I21 PolarHBondContact O-N 3.21Å; F18-I21 PolarHBondContact O-N 3.16Å; I21-L24 PolarHBondContact O-N 2.93Å; I21-R25 WeakPolarHBondContact O-CG 3.21Å; I21-R25 PolarHBondContact O-N 3.38Å
22	H	39.3	Very low	35.8	Very low	108 Å²	108	94.8 Å²	94.8	50%	0.5	48%	0.483	S	S	.	.	H	α-helix	trans	-67.9	-39.3	176.7	-171.5	-91.3	0	0	0	112	F18 V20 R25 N26	F18-H22 WeakPolarHBondContact O-CB 3.23Å; F18-H22 PolarHBondContact O-N 3.47Å; V20-H22 VanDerWaalsContact C-N 3.33Å; V20-H22 PolarHBondContact O-N 3.18Å; H22-R25 PolarHBondContact O-N 3.41Å; H22-N26 PolarHBondContact CE1-ND2 3.14Å; H22-N26 PolarHBondContact ND1-ND2 3.37Å; H22-N26 PolarHBondContact NE2-ND2 3.41Å; H22-N26 WeakPolarHBondContact O-CB 3.46Å; H22-N26 PolarHBondContact O-N 3.4Å; H22-N26 PolarHBondContact O-ND2 2.81Å
23	W	39.4	Very low	36.2	Very low	69 Å²	69	99.6 Å²	99.6	26%	0.261	50%	0.498	S	S	.	.	H	α-helix	trans	-63.4	-45.2	172.5	-178.8	83.8	0	0	0	111.1	N19 V20 R25 N26 E27 L28 I84	N19-W23 WeakPolarHBondContact O-CB 3.35Å; N19-W23 PolarHBondContact O-N 2.87Å; V20-W23 PolarHBondContact O-N 3.41Å; W23-R25 PolarHBondContact O-N 3.48Å; W23-N26 PolarHBondContact O-N 2.85Å; W23-E27 HydrophobicContact CG-CB 4.47Å; W23-E27 HydrophobicContact CG-CG 4.35Å; W23-E27 WeakPolarHBondContact O-CB 3.46Å; W23-E27 PolarHBondContact O-N 2.78Å; W23-L28 HydrophobicContact CH2-CD1 3.95Å; W23-L28 HydrophobicContact CZ3-CD1 3.84Å; W23-I84 HydrophobicContact CH2-CD1 4.14Å; W23-I84 HydrophobicContact CZ3-CD1 4.31Å
24	L	42.3	Very low	36.4	Very low	29 Å²	29	98.2 Å²	98.2	15%	0.152	49%	0.487	C	S	.	.	H	α-helix	trans	-58.4	-44.1	175.9	-75.9	168.2	0	0	0	112.4	V20 I21 L28 W36 I94	V20-L24 HydrophobicContact CG1-CD1 3.91Å; V20-L24 HydrophobicContact CG1-CG 4.46Å; V20-L24 WeakPolarHBondContact O-CB 3.21Å; V20-L24 VanDerWaalsContact O-CG 3.26Å; V20-L24 WeakPolarHBondContact O-CG 3.46Å; V20-L24 PolarHBondContact O-N 2.91Å; I21-L24 PolarHBondContact O-N 2.93Å; L24-L28 HydrophobicContact CD2-CD1 4.14Å; L24-W36 HydrophobicContact CD2-CD2 4.49Å; L24-W36 HydrophobicContact CD2-CE3 4.19Å; L24-W36 HydrophobicContact CD2-CZ3 4.24Å; L24-I94 HydrophobicContact CD1-CD1 4.38Å; L24-I94 HydrophobicContact CD2-CD1 3.63Å; L24-I94 HydrophobicContact CG-CD1 4.46Å
25	R	42.1	Very low	36.8	Very low	201 Å²	201	97 Å²	97	76%	0.758	49%	0.487	S	S	*	.	H	α-helix	trans	-70.1	-37.4	-179.8	-77.8	-176.7	176.4	-179.1	-0.9	113.5	I21 H22 W23	I21-R25 WeakPolarHBondContact O-CG 3.21Å; I21-R25 PolarHBondContact O-N 3.38Å; H22-R25 PolarHBondContact O-N 3.41Å; W23-R25 PolarHBondContact O-N 3.48Å
26	N	39.6	Very low	37.2	Very low	97 Å²	97	98.5 Å²	98.5	52%	0.519	48%	0.484	S	S	.	.	H	α-helix	trans	-97.6	-30.2	-170.6	-68.9	-27.2	0	0	0	114.3	H22 W23	H22-N26 PolarHBondContact CE1-ND2 3.14Å; H22-N26 PolarHBondContact ND1-ND2 3.37Å; H22-N26 PolarHBondContact NE2-ND2 3.41Å; H22-N26 WeakPolarHBondContact O-CB 3.46Å; H22-N26 PolarHBondContact O-N 3.4Å; H22-N26 PolarHBondContact O-ND2 2.81Å; W23-N26 PolarHBondContact O-N 2.85Å
27	E	40.8	Very low	37.4	Very low	63 Å²	63	98.5 Å²	98.5	29%	0.294	48%	0.481	S	S	.	.	H	α-helix	trans	-101.4	-13.1	-171.5	-61.7	-97.9	173.8	0	0	112.4	W23 P29 Y72	W23-E27 HydrophobicContact CG-CB 4.47Å; W23-E27 HydrophobicContact CG-CG 4.35Å; W23-E27 WeakPolarHBondContact O-CB 3.46Å; W23-E27 PolarHBondContact O-N 2.78Å; E27-P29 WeakPolarHBondContact O-CD 3.35Å; E27-Y72 HydrophobicContact CB-CD1 3.94Å; E27-Y72 HydrophobicContact CB-CE1 3.74Å; E27-Y72 WeakPolarHBondContact O-CE1 2.81Å; E27-Y72 VanDerWaalsContact O-CZ 3.23Å; E27-Y72 PolarHBondContact O-OH 3.09Å; E27-Y72 WeakPolarHBondContact OE2-CD1 3.38Å; E27-Y72 WeakPolarHBondContact OE2-CE1 3.28Å
28	L	40.1	Very low	37.6	Very low	29 Å²	29	94.2 Å²	94.2	15%	0.152	47%	0.473	C	S	.	.			trans	-120.2	55.5	177.2	-75.6	158.6	0	0	0	113.6	W23 L24 L30 L31 W36	W23-L28 HydrophobicContact CH2-CD1 3.95Å; W23-L28 HydrophobicContact CZ3-CD1 3.84Å; L24-L28 HydrophobicContact CD2-CD1 4.14Å; L28-L30 PolarHBondContact O-N 2.82Å; L28-L31 HydrophobicContact CD2-CD1 4.41Å; L28-L31 PolarHBondContact O-N 3.29Å; L28-W36 HydrophobicContact CD1-CH2 4.06Å
29	P	36.5	Very low	37.8	Very low	83 Å²	83	88.2 Å²	88.2	54%	0.539	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-63	-18.3	-176	24	-32.1	0	0	0	114.4	E27 L31	E27-P29 WeakPolarHBondContact O-CD 3.35Å; P29-L31 VanDerWaalsContact C-N 3.31Å; P29-L31 PolarHBondContact O-N 3.15Å
30	L	35.6	Very low	37.7	Very low	171 Å²	171	86.9 Å²	86.9	90%	0.895	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-81	-3.3	-177	-72.5	169.1	0	0	0	114.8	L28	L28-L30 PolarHBondContact O-N 2.82Å
31	L	35	Very low	37.4	Very low	51 Å²	51	89.5 Å²	89.5	27%	0.267	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-117.4	27.6	-175.8	-72.8	166.7	0	0	0	113.9	L28 P29 K33 A34 W36 Y92	L28-L31 HydrophobicContact CD2-CD1 4.41Å; L28-L31 PolarHBondContact O-N 3.29Å; P29-L31 VanDerWaalsContact C-N 3.31Å; P29-L31 PolarHBondContact O-N 3.15Å; L31-K33 PolarHBondContact O-N 2.82Å; L31-A34 HydrophobicContact CB-CB 4.24Å; L31-A34 HydrophobicContact CD2-CB 4Å; L31-A34 PolarHBondContact O-N 3.46Å; L31-W36 HydrophobicContact CB-CZ2 3.73Å; L31-W36 HydrophobicContact CD1-CH2 3.8Å; L31-W36 HydrophobicContact CD1-CZ2 3.56Å; L31-W36 HydrophobicContact CG-CZ2 4.26Å; L31-Y92 HydrophobicContact CD1-CE2 4.37Å; L31-Y92 HydrophobicContact CD2-CE2 4.06Å
32	N	35.3	Very low	37.2	Very low	159 Å²	159	91 Å²	91	85%	0.85	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-2.4	171.7	-101.8	-11.6	0	0	0	115
33	K	36.2	Very low	37.1	Very low	212 Å²	212	92.6 Å²	92.6	92%	0.922	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	-1.9	174.2	-67.5	-171.9	178.3	-176.7	0	114.4	L31	L31-K33 PolarHBondContact O-N 2.82Å
34	A	36.4	Very low	36.7	Very low	25 Å²	25	90.5 Å²	90.5	21%	0.207	45%	0.454	C	S	.	.	S	Bend	trans	-95	140	-179.5	0	0	0	0	0	111.3	L31 W36 Y92	L31-A34 HydrophobicContact CB-CB 4.24Å; L31-A34 HydrophobicContact CD2-CB 4Å; L31-A34 PolarHBondContact O-N 3.46Å; A34-W36 PolarHBondContact O-NE1 3.36Å; A34-Y92 HydrophobicContact CB-CD2 4.03Å; A34-Y92 HydrophobicContact CB-CE2 4.22Å
35	S	39	Very low	36.4	Very low	82 Å²	82	90.8 Å²	90.8	57%	0.573	46%	0.464	S	S	*	.			trans	-81.5	134.1	172.8	-61.2	0	0	0	0	109.4	I91 Y92	S35-I91 VanDerWaalsContact O-CG2 3.24Å; S35-I91 WeakPolarHBondContact O-CG2 3.46Å; S35-Y92 PolarHBondContact O-N 3.46Å
36	W	36.1	Very low	36	Very low	74 Å²	74	88 Å²	88	28%	0.28	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.9	-176.7	-62.8	85.2	0	0	0	110.8	L24 L28 L31 A34 I84 Y92 I94	L24-W36 HydrophobicContact CD2-CD2 4.49Å; L24-W36 HydrophobicContact CD2-CE3 4.19Å; L24-W36 HydrophobicContact CD2-CZ3 4.24Å; L28-W36 HydrophobicContact CD1-CH2 4.06Å; L31-W36 HydrophobicContact CB-CZ2 3.73Å; L31-W36 HydrophobicContact CD1-CH2 3.8Å; L31-W36 HydrophobicContact CD1-CZ2 3.56Å; L31-W36 HydrophobicContact CG-CZ2 4.26Å; A34-W36 PolarHBondContact O-NE1 3.36Å; W36-I84 HydrophobicContact CZ3-CG2 4.36Å; W36-Y92 WeakPolarHBondContact CA-O 3.44Å; W36-Y92 VanDerWaalsContact CE3-CB 3.48Å; W36-Y92 HydrophobicContact CE3-CG 4.49Å; W36-Y92 HydrophobicContact CH2-CD2 4.42Å; W36-Y92 HydrophobicContact CH2-CG 4.13Å; W36-Y92 HydrophobicContact CZ3-CG 4.04Å; W36-I94 HydrophobicContact CE3-CD1 4.06Å; W36-I94 HydrophobicContact CE3-CG1 4.36Å; W36-I94 HydrophobicContact CZ3-CD1 4.06Å; W36-I94 HydrophobicContact CZ3-CG1 4.47Å
37	V	36.8	Very low	35.8	Very low	67 Å²	67	88.5 Å²	88.5	41%	0.406	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.8	172.5	-178.5	0	0	0	0	109.1	I91 Y92 V93 I94	V37-I91 HydrophobicContact CG2-CG2 4.09Å; V37-Y92 PolarHBondContact N-O 3.31Å; V37-Y92 VanDerWaalsContact N-O 3.11Å; V37-V93 HydrophobicContact CB-CG2 4.46Å; V37-V93 WeakPolarHBondContact O-CA 3.19Å; V37-I94 PolarHBondContact O-N 3.42Å
38	V	35.8	Very low	35.5	Very low	78 Å²	78	90.3 Å²	90.3	47%	0.473	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119	179.9	-173.9	0	0	0	0	108	Y96	V38-Y96 HydrophobicContact CG1-CE2 3.66Å
39	C	35.9	Very low	35.2	Very low	27 Å²	27	90.7 Å²	90.7	18%	0.182	48%	0.484	C	S	.	.			trans	-140.3	150.4	-177.1	136.9	0	0	0	0	111.8	Y43 C44 I94 S95	C39-Y43 VanDerWaalsContact SG-C 3.58Å; C39-C44 WeakPolarHBondContact CB-SG 3.42Å; C39-C44 WeakPolarHBondContact SG-CA 3.4Å; C39-C44 WeakPolarHBondContact SG-CB 3.18Å; C39-C44 PolarHBondContact SG-N 3.3Å; C39-C44 CovalentContact SG-SG 2.04Å; C39-C44 PolarHBondContact SG-SG 2.99Å; C39-I94 PolarHBondContact N-O 3.34Å; C39-S95 WeakPolarHBondContact O-CA 3.19Å
40	E	32.9	Very low	34.9	Very low	84 Å²	84	88.1 Å²	88.1	39%	0.393	47%	0.468	S	S	.	.			trans	-77.3	140.8	176.8	-58.6	175.7	177.1	0	0	109.5	Q42 Y43 C44	E40-Q42 PolarHBondContact O-N 3.27Å; E40-Y43 HydrophobicContact CB-CD2 4.02Å; E40-Y43 HydrophobicContact CB-CE2 4.41Å; E40-Y43 PolarHBondContact O-N 3.38Å; E40-C44 PolarHBondContact O-N 2.98Å
41	E	31.3	Very low	34.9	Very low	81 Å²	81	84 Å²	84	38%	0.379	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-32.5	-165	-160.9	164	-133.7	0	0	114.3	Y43 C44 S95 Y96	E41-Y43 VanDerWaalsContact C-N 3.3Å; E41-Y43 PolarHBondContact O-N 2.77Å; E41-C44 PolarHBondContact O-N 3.46Å; E41-S95 PolarHBondContact OE1-OG 3.45Å; E41-Y96 PolarHBondContact N-O 2.8Å
42	Q	35.6	Very low	34.6	Very low	122 Å²	122	87.9 Å²	87.9	57%	0.57	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.1	175.9	56.7	-173.2	-17.6	0	0	115	E40	E40-Q42 PolarHBondContact O-N 3.27Å
43	Y	35.5	Very low	34.2	Very low	140 Å²	140	81.4 Å²	81.4	55%	0.549	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-12.4	175.6	-55.2	-72.6	0	0	0	113	C39 E40 E41 G45 M47	C39-Y43 VanDerWaalsContact SG-C 3.58Å; E40-Y43 HydrophobicContact CB-CD2 4.02Å; E40-Y43 HydrophobicContact CB-CE2 4.41Å; E40-Y43 PolarHBondContact O-N 3.38Å; E41-Y43 VanDerWaalsContact C-N 3.3Å; E41-Y43 PolarHBondContact O-N 2.77Å; Y43-G45 VanDerWaalsContact C-N 3.32Å; Y43-M47 VanDerWaalsContact O-CE 3.29Å; Y43-M47 WeakPolarHBondContact O-CE 3.45Å
44	C	31.2	Very low	34.1	Very low	25 Å²	25	79.1 Å²	79.1	17%	0.169	44%	0.44	C	S	.	.	S	Bend	trans	-90.2	3.7	177.7	-80.1	0	0	0	0	112.8	C39 E40 E41	C39-C44 WeakPolarHBondContact CB-SG 3.42Å; C39-C44 WeakPolarHBondContact SG-CA 3.4Å; C39-C44 WeakPolarHBondContact SG-CB 3.18Å; C39-C44 PolarHBondContact SG-N 3.3Å; C39-C44 CovalentContact SG-SG 2.04Å; C39-C44 PolarHBondContact SG-SG 2.99Å; E40-C44 PolarHBondContact O-N 2.98Å; E41-C44 PolarHBondContact O-N 3.46Å
45	G	36.5	Very low	33.8	Very low	36 Å²	36	82.6 Å²	82.6	37%	0.371	45%	0.454	S	S	.	.	S	Bend	trans	-54.7	174.1	160.1	0	0	0	0	0	111.2	Y43 M47	Y43-G45 VanDerWaalsContact C-N 3.32Å; G45-M47 PolarHBondContact O-N 2.93Å
46	P	34	Very low	33.6	Very low	143 Å²	143	87 Å²	87	93%	0.929	47%	0.471	S	S	*	.	S	Bend	trans	-64.8	70.7	-146.7	31.9	-37.4	0	0	0	113.5	N48	P46-N48 PolarHBondContact O-N 3.15Å
47	M	35	Very low	33.4	Very low	106 Å²	106	88.7 Å²	88.7	52%	0.522	49%	0.485	S	S	.	.			trans	-65	126.8	166.3	-81.6	-173.1	178.7	0	0	105.5	Y43 G45 Y49	Y43-M47 VanDerWaalsContact O-CE 3.29Å; Y43-M47 WeakPolarHBondContact O-CE 3.45Å; G45-M47 PolarHBondContact O-N 2.93Å; M47-Y49 VanDerWaalsContact C-N 3.28Å; M47-Y49 HydrophobicContact CB-CE1 4.2Å; M47-Y49 HydrophobicContact CB-CE2 4.13Å; M47-Y49 WeakPolarHBondContact O-CD2 3.22Å; M47-Y49 VanDerWaalsContact O-CE2 3.29Å; M47-Y49 WeakPolarHBondContact O-CE2 3.36Å; M47-Y49 PolarHBondContact O-N 3.34Å
48	N	34.1	Very low	33.4	Very low	101 Å²	101	89.4 Å²	89.4	54%	0.54	49%	0.493	S	S	.	.			trans	-71.3	89.7	175.2	-169	-8.3	0	0	0	108.1	P46 S50	P46-N48 PolarHBondContact O-N 3.15Å; N48-S50 PolarHBondContact O-N 2.86Å; N48-S50 WeakPolarHBondContact OD1-CB 3.19Å; N48-S50 PolarHBondContact OD1-N 3.4Å; N48-S50 PolarHBondContact OD1-OG 2.81Å
49	Y	33.5	Very low	33.2	Very low	38 Å²	38	91.6 Å²	91.6	15%	0.149	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-0.8	-177	-63.6	-80.8	0	0	0	113.5	M47 A51 F52 A53 V62 T87 V93	M47-Y49 VanDerWaalsContact C-N 3.28Å; M47-Y49 HydrophobicContact CB-CE1 4.2Å; M47-Y49 HydrophobicContact CB-CE2 4.13Å; M47-Y49 WeakPolarHBondContact O-CD2 3.22Å; M47-Y49 VanDerWaalsContact O-CE2 3.29Å; M47-Y49 WeakPolarHBondContact O-CE2 3.36Å; M47-Y49 PolarHBondContact O-N 3.34Å; Y49-A51 PolarHBondContact O-N 2.96Å; Y49-F52 HydrophobicContact CD1-CD2 4.11Å; Y49-F52 HydrophobicContact CD1-CE2 4.5Å; Y49-F52 PolarHBondContact O-N 3.49Å; Y49-A53 PolarHBondContact O-N 3.38Å; Y49-V62 HydrophobicContact CD2-CG2 3.37Å; Y49-V62 HydrophobicContact CE2-CG2 3.64Å; Y49-V62 HydrophobicContact CG-CG2 4.23Å; Y49-T87 HydrophobicContact CD1-CG2 4.03Å; Y49-T87 HydrophobicContact CE1-CG2 4.48Å; Y49-T87 HydrophobicContact CG-CG2 4.12Å; Y49-V93 HydrophobicContact CE1-CG2 4.45Å
50	S	31.8	Very low	33.2	Very low	29 Å²	29	92.3 Å²	92.3	20%	0.203	51%	0.51	C	S	.	.	H	α-helix	trans	-55	-33.4	173	56.7	0	0	0	0	112.4	N48 F52 A53 N54	N48-S50 PolarHBondContact O-N 2.86Å; N48-S50 WeakPolarHBondContact OD1-CB 3.19Å; N48-S50 PolarHBondContact OD1-N 3.4Å; N48-S50 PolarHBondContact OD1-OG 2.81Å; S50-F52 PolarHBondContact O-N 3.49Å; S50-A53 PolarHBondContact O-N 3.12Å; S50-N54 PolarHBondContact O-N 3.24Å
51	A	34.1	Very low	33.5	Very low	83 Å²	83	97 Å²	97	69%	0.686	53%	0.529	S	S	*	.	H	α-helix	trans	-60.5	-28.6	175.3	0	0	0	0	0	113.2	Y49	Y49-A51 PolarHBondContact O-N 2.96Å
52	F	28.9	Very low	33.9	Very low	133 Å²	133	95.1 Å²	95.1	58%	0.583	52%	0.523	S	S	*	.	H	α-helix	trans	-86.9	-20.5	175.4	-68.7	-78.1	0	0	0	113.1	Y49 S50 I91	Y49-F52 HydrophobicContact CD1-CD2 4.11Å; Y49-F52 HydrophobicContact CD1-CE2 4.5Å; Y49-F52 PolarHBondContact O-N 3.49Å; S50-F52 PolarHBondContact O-N 3.49Å; F52-I91 HydrophobicContact CB-CD1 4.13Å; F52-I91 HydrophobicContact CD1-CD1 4.5Å
53	A	28.6	Very low	34	Very low	23 Å²	23	96.4 Å²	96.4	19%	0.19	53%	0.529	C	S	.	.	H	α-helix	trans	-89.7	-17.7	-176.2	0	0	0	0	0	112.7	Y49 S50 I55	Y49-A53 PolarHBondContact O-N 3.38Å; S50-A53 PolarHBondContact O-N 3.12Å; A53-I55 HydrophobicContact CB-CB 4.37Å; A53-I55 HydrophobicContact CB-CD1 4.17Å; A53-I55 HydrophobicContact CB-CG1 3.82Å; A53-I55 WeakPolarHBondContact O-CG1 3.41Å; A53-I55 PolarHBondContact O-N 2.78Å
54	N	34.1	Very low	34.3	Very low	164 Å²	164	93.5 Å²	93.5	88%	0.877	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	30	-170.3	-112.7	1.6	0	0	0	112.1	S50	S50-N54 PolarHBondContact O-N 3.24Å
55	I	29.7	Very low	34.7	Very low	98 Å²	98	94.1 Å²	94.1	50%	0.503	53%	0.53	S	S	.	.			trans	-120.3	124.5	178.4	-37.7	-177.8	0	0	0	107.5	A53 N57	A53-I55 HydrophobicContact CB-CB 4.37Å; A53-I55 HydrophobicContact CB-CD1 4.17Å; A53-I55 HydrophobicContact CB-CG1 3.82Å; A53-I55 WeakPolarHBondContact O-CG1 3.41Å; A53-I55 PolarHBondContact O-N 2.78Å; I55-N57 HydrophobicContact CG2-CB 4.44Å; I55-N57 PolarHBondContact O-N 3.26Å
56	N	33.7	Very low	34.9	Very low	176 Å²	176	101.3 Å²	101.3	94%	0.941	55%	0.552	S	S	*	*			trans	-68.7	19.3	-177	-77.4	-17.5	0	0	0	114.7
57	N	31.7	Very low	34.9	Very low	108 Å²	108	101.9 Å²	101.9	58%	0.578	55%	0.547	S	S	*	.			trans	-100.7	101	-177.2	-132.9	-4	0	0	0	109.4	I55 D59 A60	I55-N57 HydrophobicContact CG2-CB 4.44Å; I55-N57 PolarHBondContact O-N 3.26Å; N57-D59 PolarHBondContact O-N 2.75Å; N57-D59 VanDerWaalsContact O-N 3.13Å; N57-A60 PolarHBondContact O-N 2.74Å
58	S	37.2	Very low	35	Very low	82 Å²	82	99.3 Å²	99.3	57%	0.573	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.8	-177.8	52.6	0	0	0	0	114.2
59	D	32.6	Very low	34.8	Very low	125 Å²	125	99 Å²	99	67%	0.668	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	12.1	-171.7	-63.3	-11.8	0	0	0	113.3	N57 K61	N57-D59 PolarHBondContact O-N 2.75Å; N57-D59 VanDerWaalsContact O-N 3.13Å; D59-K61 VanDerWaalsContact C-N 3.28Å; D59-K61 PolarHBondContact O-N 3.39Å
60	A	34.4	Very low	34.6	Very low	41 Å²	41	101.8 Å²	101.8	34%	0.339	56%	0.555	S	S	.	*			trans	-70.2	83.3	-178.4	0	0	0	0	0	110.7	N57 P88	N57-A60 PolarHBondContact O-N 2.74Å; A60-P88 HydrophobicContact CB-CB 4.4Å; A60-P88 HydrophobicContact CB-CG 3.69Å
61	K	40.1	Very low	34.3	Very low	183 Å²	183	106.9 Å²	106.9	80%	0.796	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-71.9	138.8	-179.1	-70.8	179.1	-176.8	176.7	0	110.7	D59	D59-K61 VanDerWaalsContact C-N 3.28Å; D59-K61 PolarHBondContact O-N 3.39Å
62	V	39.8	Very low	34.1	Very low	42 Å²	42	107.1 Å²	107.1	26%	0.255	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-78	124.2	179.4	-174.3	0	0	0	0	109.3	Y49 Y85 T87	Y49-V62 HydrophobicContact CD2-CG2 3.37Å; Y49-V62 HydrophobicContact CE2-CG2 3.64Å; Y49-V62 HydrophobicContact CG-CG2 4.23Å; V62-Y85 HydrophobicContact CG1-CD1 4.29Å; V62-Y85 HydrophobicContact CG1-CG 4.29Å; V62-T87 HydrophobicContact CG1-CG2 4.47Å; V62-T87 HydrophobicContact CG2-CG2 4.38Å
63	E	36.9	Very low	34.1	Very low	149 Å²	149	110.2 Å²	110.2	70%	0.696	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.4	137.7	177.3	-68.2	-165.2	165.4	0	0	111.6	Q86	E63-Q86 PolarHBondContact O-N 3.02Å; E63-Q86 VanDerWaalsContact O-N 3.09Å
64	P	41.9	Very low	34.1	Very low	79 Å²	79	117.8 Å²	117.8	51%	0.513	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.6	134.5	172.5	15.2	-12.8	0	0	0	110.6	K66 Y85	P64-K66 PolarHBondContact O-N 3.23Å; P64-K66 VanDerWaalsContact O-N 3.13Å; P64-Y85 HydrophobicContact CB-CD1 4.34Å; P64-Y85 HydrophobicContact CB-CE1 4.4Å
65	V	40.6	Very low	33.9	Very low	37 Å²	37	118 Å²	118	22%	0.224	59%	0.593	C	S	.	*			trans	-74.3	106.8	-175.1	-170	0	0	0	0	109.8	I68 I84 Q86 Y92	V65-I68 HydrophobicContact CB-CD1 4.12Å; V65-I68 HydrophobicContact CB-CG1 4.16Å; V65-I68 HydrophobicContact CG1-CD1 4.13Å; V65-I68 HydrophobicContact CG1-CG1 3.72Å; V65-I84 HydrophobicContact CG2-CG2 4.36Å; V65-I84 PolarHBondContact N-O 3.05Å; V65-Q86 HydrophobicContact CG2-CB 3.55Å; V65-Y92 HydrophobicContact CG1-CE1 4.3Å; V65-Y92 HydrophobicContact CG2-CD1 3.8Å; V65-Y92 HydrophobicContact CG2-CE1 3.7Å
66	K	40.2	Very low	33.9	Very low	188 Å²	188	123.3 Å²	123.3	82%	0.817	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-26.1	-177	-67.8	-179.7	-177.3	171.2	0	113.7	P64	P64-K66 PolarHBondContact O-N 3.23Å; P64-K66 VanDerWaalsContact O-N 3.13Å
67	D	34.3	Very low	33.9	Very low	155 Å²	155	120 Å²	120	83%	0.829	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	15.3	-168.2	-64.2	-31.7	0	0	0	115.2	N69	D67-N69 PolarHBondContact O-N 2.92Å
68	I	36.2	Very low	33.9	Very low	52 Å²	52	125.5 Å²	125.5	27%	0.267	62%	0.617	S	S	.	*	S	Bend	trans	-71.3	98.8	170.3	-56.2	-178.5	0	0	0	108	V65 I84	V65-I68 HydrophobicContact CB-CD1 4.12Å; V65-I68 HydrophobicContact CB-CG1 4.16Å; V65-I68 HydrophobicContact CG1-CD1 4.13Å; V65-I68 HydrophobicContact CG1-CG1 3.72Å; I68-I84 HydrophobicContact CD1-CB 3.84Å; I68-I84 HydrophobicContact CD1-CD1 3.55Å; I68-I84 HydrophobicContact CD1-CG1 4.22Å; I68-I84 HydrophobicContact CD1-CG2 3.87Å
69	N	29.8	Very low	33.9	Very low	95 Å²	95	124.2 Å²	124.2	51%	0.508	62%	0.617	S	S	.	*			trans	-42.5	119.1	-172.4	-156.4	-21.4	0	0	0	111.7	D67 L71 Y72	D67-N69 PolarHBondContact O-N 2.92Å; N69-L71 PolarHBondContact O-N 2.8Å; N69-Y72 VanDerWaalsContact O-CD2 3.25Å; N69-Y72 WeakPolarHBondContact O-CD2 3.27Å; N69-Y72 PolarHBondContact O-N 2.11Å
70	P	29.2	Very low	34	Very low	95 Å²	95	122.5 Å²	122.5	62%	0.617	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-61.7	-4.1	-168.1	3.7	-11.8	0	0	0	116.3	Y72 R73	P70-Y72 PolarHBondContact O-N 3.18Å; P70-R73 PolarHBondContact O-N 2.89Å; P70-R73 VanDerWaalsContact O-N 3.13Å
71	L	26.5	Very low	34.1	Very low	136 Å²	136	123.9 Å²	123.9	71%	0.712	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-57.9	-25.4	173.1	-80.7	159.7	0	0	0	112.9	N69 R73	N69-L71 PolarHBondContact O-N 2.8Å; L71-R73 VanDerWaalsContact C-N 3.31Å; L71-R73 PolarHBondContact O-N 3.33Å
72	Y	29.8	Very low	34.2	Very low	89 Å²	89	117.2 Å²	117.2	35%	0.349	60%	0.596	S	S	.	*	G	3₁₀ helix	trans	-77.1	-9.9	178.5	-63.3	-74.1	0	0	0	114.7	E27 N69 P70	E27-Y72 HydrophobicContact CB-CD1 3.94Å; E27-Y72 HydrophobicContact CB-CE1 3.74Å; E27-Y72 WeakPolarHBondContact O-CE1 2.81Å; E27-Y72 VanDerWaalsContact O-CZ 3.23Å; E27-Y72 PolarHBondContact O-OH 3.09Å; E27-Y72 WeakPolarHBondContact OE2-CD1 3.38Å; E27-Y72 WeakPolarHBondContact OE2-CE1 3.28Å; N69-Y72 VanDerWaalsContact O-CD2 3.25Å; N69-Y72 WeakPolarHBondContact O-CD2 3.27Å; N69-Y72 PolarHBondContact O-N 2.11Å; P70-Y72 PolarHBondContact O-N 3.18Å
73	R	28.1	Very low	34.4	Very low	198 Å²	198	119.2 Å²	119.2	75%	0.747	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-80.1	-11	179	-82.1	-174.4	175.4	-179.4	-0.4	114.8	P70 L71	P70-R73 PolarHBondContact O-N 2.89Å; P70-R73 VanDerWaalsContact O-N 3.13Å; L71-R73 VanDerWaalsContact C-N 3.31Å; L71-R73 PolarHBondContact O-N 3.33Å
74	K	28.7	Very low	34.6	Very low	182 Å²	182	113.1 Å²	113.1	79%	0.791	58%	0.577	S	S	*	*			trans	-83.9	-12.8	-168.3	-84.7	-169.9	176.5	179.2	0	116.3	K76	K74-K76 PolarHBondContact O-N 2.71Å
75	K	30.7	Very low	34.6	Very low	169 Å²	169	112.5 Å²	112.5	74%	0.735	57%	0.565	S	S	*	*	S	Bend	trans	-89.5	89.3	175.9	-81.1	-176.8	-178.3	167.7	0	110.9	T77	K75-T77 VanDerWaalsContact C-N 3.34Å; K75-T77 PolarHBondContact O-N 2.96Å
76	K	29.5	Very low	34.6	Very low	209 Å²	209	114.1 Å²	114.1	91%	0.909	57%	0.57	S	S	*	*			trans	-12.9	76.2	166	-65.7	-179.6	177	178	0	115.2	K74	K74-K76 PolarHBondContact O-N 2.71Å
77	T	33.9	Very low	34.8	Very low	106 Å²	106	105.6 Å²	105.6	65%	0.65	53%	0.533	S	S	*	.			trans	-81.5	118	158.5	36.5	0	0	0	0	106.6	K75 G79	K75-T77 VanDerWaalsContact C-N 3.34Å; K75-T77 PolarHBondContact O-N 2.96Å; T77-G79 PolarHBondContact O-N 3.15Å
78	K	31.2	Very low	35	Very low	223 Å²	223	101.6 Å²	101.6	97%	0.97	52%	0.516	S	S	*	.	S	Bend	trans	-67	98.4	171.3	-85.8	-175.2	174.9	-178.9	0	107.6
79	G	38	Very low	35.3	Very low	55 Å²	55	101.3 Å²	101.3	57%	0.567	53%	0.526	S	S	*	.	S	Bend	trans	145.7	155.2	-178.3	0	0	0	0	0	110.4	T77	T77-G79 PolarHBondContact O-N 3.15Å
80	S	35.1	Very low	35.7	Very low	90 Å²	90	98.1 Å²	98.1	63%	0.629	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-55.8	130.7	173.5	-50.9	0	0	0	0	109.1
81	P	36.7	Very low	36.2	Very low	69 Å²	69	95.1 Å²	95.1	45%	0.448	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-61	144.5	-179.1	24.1	-32	0	0	0	110.1	L83	P81-L83 PolarHBondContact O-N 3.33Å
82	P	42.1	Very low	36.8	Very low	43 Å²	43	90.3 Å²	90.3	28%	0.279	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-55.5	137.9	176.4	13.6	-23.6	0	0	0	112.1	I94 S95 Y96	P82-I94 HydrophobicContact CB-CG2 3.37Å; P82-I94 HydrophobicContact CG-CG2 4.36Å; P82-S95 WeakPolarHBondContact CA-O 3.19Å; P82-Y96 HydrophobicContact CB-CD1 3.83Å; P82-Y96 HydrophobicContact CB-CE1 3.46Å; P82-Y96 VanDerWaalsContact CB-CE1 3.46Å; P82-Y96 HydrophobicContact CG-CD1 4.39Å; P82-Y96 HydrophobicContact CG-CE1 3.85Å
83	L	42.7	Very low	37.2	Very low	84 Å²	84	86.3 Å²	86.3	44%	0.44	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	128.8	172.8	-68	167.4	0	0	0	108.9	P81 Y85 I94 S95	P81-L83 PolarHBondContact O-N 3.33Å; L83-Y85 HydrophobicContact CB-CE2 3.67Å; L83-I94 WeakPolarHBondContact O-CA 3.3Å; L83-S95 PolarHBondContact N-O 3.32Å; L83-S95 PolarHBondContact O-N 2.99Å
84	I	41.6	Very low	37.7	Very low	21 Å²	21	77 Å²	77	11%	0.108	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.5	-178.6	-54.3	178	0	0	0	109	W23 W36 V65 I68 Y92 V93 I94	W23-I84 HydrophobicContact CH2-CD1 4.14Å; W23-I84 HydrophobicContact CZ3-CD1 4.31Å; W36-I84 HydrophobicContact CZ3-CG2 4.36Å; V65-I84 HydrophobicContact CG2-CG2 4.36Å; V65-I84 PolarHBondContact N-O 3.05Å; I68-I84 HydrophobicContact CD1-CB 3.84Å; I68-I84 HydrophobicContact CD1-CD1 3.55Å; I68-I84 HydrophobicContact CD1-CG1 4.22Å; I68-I84 HydrophobicContact CD1-CG2 3.87Å; I84-Y92 HydrophobicContact CG2-CD1 4.28Å; I84-V93 CarbonylContact C-O 3.52Å; I84-V93 WeakPolarHBondContact CA-O 3.12Å; I84-I94 HydrophobicContact CD1-CD1 4.21Å; I84-I94 HydrophobicContact CG1-CD1 4.17Å; I84-I94 HydrophobicContact CG1-CG1 4.01Å; I84-I94 HydrophobicContact CG1-CG2 4.17Å; I84-I94 HydrophobicContact CG2-CG1 4.37Å
85	Y	42.4	Very low	38.1	Very low	67 Å²	67	68.4 Å²	68.4	26%	0.263	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140.7	-176.3	-62.6	-83.4	0	0	0	110.1	V62 P64 L83 Y92 V93	V62-Y85 HydrophobicContact CG1-CD1 4.29Å; V62-Y85 HydrophobicContact CG1-CG 4.29Å; P64-Y85 HydrophobicContact CB-CD1 4.34Å; P64-Y85 HydrophobicContact CB-CE1 4.4Å; L83-Y85 HydrophobicContact CB-CE2 3.67Å; Y85-Y92 CarbonylContact O-C 3.55Å; Y85-Y92 VanDerWaalsContact O-CA 3.23Å; Y85-Y92 WeakPolarHBondContact O-CA 3.29Å; Y85-V93 PolarHBondContact N-O 3.06Å; Y85-V93 PolarHBondContact O-N 3.34Å
86	Q	40.3	Very low	38.4	Very low	71 Å²	71	62.8 Å²	62.8	33%	0.332	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.8	172.6	-177	173	-3	0	0	109.3	E63 V65 Y92	E63-Q86 PolarHBondContact O-N 3.02Å; E63-Q86 VanDerWaalsContact O-N 3.09Å; V65-Q86 HydrophobicContact CG2-CB 3.55Å; Q86-Y92 HydrophobicContact CB-CD1 3.78Å; Q86-Y92 HydrophobicContact CB-CE1 3.63Å; Q86-Y92 VanDerWaalsContact CD-CE1 3.47Å; Q86-Y92 HydrophobicContact CG-CD1 4.07Å; Q86-Y92 HydrophobicContact CG-CE1 3.68Å; Q86-Y92 HydrophobicContact CG-CE2 4.49Å; Q86-Y92 PolarHBondContact NE2-OH 2.82Å; Q86-Y92 VanDerWaalsContact OE1-CE1 3.24Å; Q86-Y92 PolarHBondContact OE1-OH 3.48Å
87	T	44.1	Very low	38.4	Very low	8 Å²	8	56.5 Å²	56.5	5%	0.049	33%	0.334	C	S	.	.			trans	-76.5	157.5	173.3	64.1	0	0	0	0	110.5	Y49 V62 G89 G90 I91 V93	Y49-T87 HydrophobicContact CD1-CG2 4.03Å; Y49-T87 HydrophobicContact CE1-CG2 4.48Å; Y49-T87 HydrophobicContact CG-CG2 4.12Å; V62-T87 HydrophobicContact CG1-CG2 4.47Å; V62-T87 HydrophobicContact CG2-CG2 4.38Å; T87-G89 PolarHBondContact O-N 3.18Å; T87-G89 VanDerWaalsContact O-N 3.14Å; T87-G90 PolarHBondContact O-N 2.75Å; T87-I91 PolarHBondContact N-O 3.21Å; T87-I91 WeakPolarHBondContact OG1-CA 3.24Å; T87-I91 VanDerWaalsContact OG1-CB 3.29Å; T87-I91 WeakPolarHBondContact OG1-CB 3.26Å; T87-I91 PolarHBondContact OG1-N 3.5Å; T87-I91 VanDerWaalsContact OG1-N 3.13Å; T87-I91 PolarHBondContact OG1-O 3.12Å; T87-V93 HydrophobicContact CG2-CG2 4.02Å
88	P	39.2	Very low	38	Very low	72 Å²	72	56.4 Å²	56.4	47%	0.468	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.7	176.3	-25.3	33	0	0	0	114.2	A60 G90	A60-P88 HydrophobicContact CB-CB 4.4Å; A60-P88 HydrophobicContact CB-CG 3.69Å; P88-G90 PolarHBondContact O-N 3.26Å
89	G	42	Very low	37.7	Very low	46 Å²	46	51.5 Å²	51.5	47%	0.474	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	5.3	175	0	0	0	0	0	114.6	T87 I91	T87-G89 PolarHBondContact O-N 3.18Å; T87-G89 VanDerWaalsContact O-N 3.14Å; G89-I91 VanDerWaalsContact C-N 3.33Å; G89-I91 PolarHBondContact O-N 3.19Å
90	G	38.4	Very low	37	Very low	28 Å²	28	55.2 Å²	55.2	29%	0.289	33%	0.333	S	S	.	.	S	Bend	trans	78.7	10.8	-179	0	0	0	0	0	114.9	T87 P88	T87-G90 PolarHBondContact O-N 2.75Å; P88-G90 PolarHBondContact O-N 3.26Å
91	I	39.5	Very low	36.4	Very low	31 Å²	31	56.5 Å²	56.5	16%	0.159	34%	0.34	C	S	.	.			trans	-87.2	132.2	176.8	-53.4	175.5	0	0	0	108.9	S35 V37 F52 T87 G89	S35-I91 VanDerWaalsContact O-CG2 3.24Å; S35-I91 WeakPolarHBondContact O-CG2 3.46Å; V37-I91 HydrophobicContact CG2-CG2 4.09Å; F52-I91 HydrophobicContact CB-CD1 4.13Å; F52-I91 HydrophobicContact CD1-CD1 4.5Å; T87-I91 PolarHBondContact N-O 3.21Å; T87-I91 WeakPolarHBondContact OG1-CA 3.24Å; T87-I91 VanDerWaalsContact OG1-CB 3.29Å; T87-I91 WeakPolarHBondContact OG1-CB 3.26Å; T87-I91 PolarHBondContact OG1-N 3.5Å; T87-I91 VanDerWaalsContact OG1-N 3.13Å; T87-I91 PolarHBondContact OG1-O 3.12Å; G89-I91 VanDerWaalsContact C-N 3.33Å; G89-I91 PolarHBondContact O-N 3.19Å
92	Y	39.4	Very low	35.9	Very low	36 Å²	36	62.5 Å²	62.5	14%	0.141	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.6	178	-66.2	-90.2	0	0	0	111.4	L31 A34 S35 W36 V37 V65 I84 Y85 Q86	L31-Y92 HydrophobicContact CD1-CE2 4.37Å; L31-Y92 HydrophobicContact CD2-CE2 4.06Å; A34-Y92 HydrophobicContact CB-CD2 4.03Å; A34-Y92 HydrophobicContact CB-CE2 4.22Å; S35-Y92 PolarHBondContact O-N 3.46Å; W36-Y92 WeakPolarHBondContact CA-O 3.44Å; W36-Y92 VanDerWaalsContact CE3-CB 3.48Å; W36-Y92 HydrophobicContact CE3-CG 4.49Å; W36-Y92 HydrophobicContact CH2-CD2 4.42Å; W36-Y92 HydrophobicContact CH2-CG 4.13Å; W36-Y92 HydrophobicContact CZ3-CG 4.04Å; V37-Y92 PolarHBondContact N-O 3.31Å; V37-Y92 VanDerWaalsContact N-O 3.11Å; V65-Y92 HydrophobicContact CG1-CE1 4.3Å; V65-Y92 HydrophobicContact CG2-CD1 3.8Å; V65-Y92 HydrophobicContact CG2-CE1 3.7Å; I84-Y92 HydrophobicContact CG2-CD1 4.28Å; Y85-Y92 CarbonylContact O-C 3.55Å; Y85-Y92 VanDerWaalsContact O-CA 3.23Å; Y85-Y92 WeakPolarHBondContact O-CA 3.29Å; Q86-Y92 HydrophobicContact CB-CD1 3.78Å; Q86-Y92 HydrophobicContact CB-CE1 3.63Å; Q86-Y92 VanDerWaalsContact CD-CE1 3.47Å; Q86-Y92 HydrophobicContact CG-CD1 4.07Å; Q86-Y92 HydrophobicContact CG-CE1 3.68Å; Q86-Y92 HydrophobicContact CG-CE2 4.49Å; Q86-Y92 PolarHBondContact NE2-OH 2.82Å; Q86-Y92 VanDerWaalsContact OE1-CE1 3.24Å; Q86-Y92 PolarHBondContact OE1-OH 3.48Å
93	V	38	Very low	35	Very low	5 Å²	5	70.5 Å²	70.5	3%	0.03	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135.7	-176	-175.7	0	0	0	0	110.5	V37 Y49 I84 Y85 T87	V37-V93 HydrophobicContact CB-CG2 4.46Å; V37-V93 WeakPolarHBondContact O-CA 3.19Å; Y49-V93 HydrophobicContact CE1-CG2 4.45Å; I84-V93 CarbonylContact C-O 3.52Å; I84-V93 WeakPolarHBondContact CA-O 3.12Å; Y85-V93 PolarHBondContact N-O 3.06Å; Y85-V93 PolarHBondContact O-N 3.34Å; T87-V93 HydrophobicContact CG2-CG2 4.02Å
94	I	38.5	Very low	34	Very low	1 Å²	1	71.7 Å²	71.7	1%	0.005	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.5	-177.5	-46.8	-171.9	0	0	0	111.9	L24 W36 V37 C39 P82 L83 I84 Y96	L24-I94 HydrophobicContact CD1-CD1 4.38Å; L24-I94 HydrophobicContact CD2-CD1 3.63Å; L24-I94 HydrophobicContact CG-CD1 4.46Å; W36-I94 HydrophobicContact CE3-CD1 4.06Å; W36-I94 HydrophobicContact CE3-CG1 4.36Å; W36-I94 HydrophobicContact CZ3-CD1 4.06Å; W36-I94 HydrophobicContact CZ3-CG1 4.47Å; V37-I94 PolarHBondContact O-N 3.42Å; C39-I94 PolarHBondContact N-O 3.34Å; P82-I94 HydrophobicContact CB-CG2 3.37Å; P82-I94 HydrophobicContact CG-CG2 4.36Å; L83-I94 WeakPolarHBondContact O-CA 3.3Å; I84-I94 HydrophobicContact CD1-CD1 4.21Å; I84-I94 HydrophobicContact CG1-CD1 4.17Å; I84-I94 HydrophobicContact CG1-CG1 4.01Å; I84-I94 HydrophobicContact CG1-CG2 4.17Å; I84-I94 HydrophobicContact CG2-CG1 4.37Å; I94-Y96 HydrophobicContact CB-CE2 4.49Å; I94-Y96 HydrophobicContact CG2-CE1 4.15Å; I94-Y96 HydrophobicContact CG2-CE2 4.06Å; I94-Y96 WeakPolarHBondContact CG2-OH 3.41Å
95	S	37.2	Very low	33.1	Very low	2 Å²	2	75.8 Å²	75.8	1%	0.014	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	149.3	178.3	78.7	0	0	0	0	114.9	C39 E41 P82 L83	C39-S95 WeakPolarHBondContact O-CA 3.19Å; E41-S95 PolarHBondContact OE1-OG 3.45Å; P82-S95 WeakPolarHBondContact CA-O 3.19Å; L83-S95 PolarHBondContact N-O 3.32Å; L83-S95 PolarHBondContact O-N 2.99Å
96	Y	37.3	Very low	32.2	Very low	52 Å²	52	76.6 Å²	76.6	20%	0.204	47%	0.466	C	S	.	.			trans	-138.1	141.7	177.2	-41.7	-96.4	0	0	0	112.5	V20 V38 E41 P82 I94	V20-Y96 WeakPolarHBondContact CG1-OH 3.49Å; V20-Y96 HydrophobicContact CG2-CE1 3.62Å; V38-Y96 HydrophobicContact CG1-CE2 3.66Å; E41-Y96 PolarHBondContact N-O 2.8Å; P82-Y96 HydrophobicContact CB-CD1 3.83Å; P82-Y96 HydrophobicContact CB-CE1 3.46Å; P82-Y96 VanDerWaalsContact CB-CE1 3.46Å; P82-Y96 HydrophobicContact CG-CD1 4.39Å; P82-Y96 HydrophobicContact CG-CE1 3.85Å; I94-Y96 HydrophobicContact CB-CE2 4.49Å; I94-Y96 HydrophobicContact CG2-CE1 4.15Å; I94-Y96 HydrophobicContact CG2-CE2 4.06Å; I94-Y96 WeakPolarHBondContact CG2-OH 3.41Å
97	P	28.5	Very low	31.4	Very low	77 Å²	77	76.5 Å²	76.5	50%	0.5	47%	0.474	S	S	.	.			trans	-89	139.9	178.2	31.6	-32.6	0	0	0	114
98	V	26.8	Very low	30.5	Very low	104 Å²	104	84.8 Å²	84.8	63%	0.63	52%	0.517	S	S	*	.			trans	-131.3	134.1	177.5	-172.6	0	0	0	0	111
99	S	23.7	Very low	29.7	Very low	119 Å²	119	87.2 Å²	87.2	83%	0.832	53%	0.53	S	S	*	.			trans	-99.4	127.6	177.6	177.3	0	0	0	0	111.7
100	L	24.1	Very low	28.8	Very low	134 Å²	134	88.6 Å²	88.6	70%	0.702	54%	0.538	S	S	*	.			trans	-117.9	117.3	-173.5	-87.3	157.1	0	0	0	111.6
101	C	22.4	Very low	28	Very low	116 Å²	116	96.3 Å²	96.3	78%	0.784	57%	0.566	S	S	*	*			trans	-94.8	126.1	163.1	-80.1	0	0	0	0	110.3
102	K	26	Very low	27.3	Very low	195 Å²	195	100 Å²	100	85%	0.848	59%	0.594	S	S	*	*			trans	-85.7	143.3	-167.1	-82	179.6	172.1	178.4	0	114.3
103	F	22.7	Very low	26.5	Very low	212 Å²	212	102.7 Å²	102.7	93%	0.93	62%	0.623	S	S	*	*			trans	-71.5	115.4	159.9	-83.5	-105.5	0	0	0	109.6
104	V	22.5	Very low	25.8	Very low	109 Å²	109	111.4 Å²	111.4	66%	0.661	66%	0.663	S	S	*	*			trans	-123.1	107.6	162.8	-174.9	0	0	0	0	106.9	G106	V104-G106 PolarHBondContact O-N 2.94Å
105	A	23.1	Very low	25.1	Very low	106 Å²	106	123.7 Å²	123.7	88%	0.876	71%	0.71	S	S	*	*			trans	-73.9	119.8	174.1	0	0	0	0	0	108.7
106	G	23.4	Very low	24.6	Very low	84 Å²	84	128.2 Å²	128.2	87%	0.866	75%	0.747	S	S	*	*	S	Bend	trans	127	-12.5	159.7	0	0	0	0	0	118.4	V104	V104-G106 PolarHBondContact O-N 2.94Å
107	S	22.6	Very low	23.8	Very low	70 Å²	70	135.2 Å²	135.2	49%	0.49	78%	0.779	S	S	.	*			trans	-108.4	118.4	176.7	65.2	0	0	0	0	111.4	T109	S107-T109 PolarHBondContact O-N 2.9Å
108	L	25.7	Very low	23.8	Very low	182 Å²	182	139.8 Å²	139.8	95%	0.953	80%	0.798	S	S	*	*	S	Bend	trans	-65.1	1.2	-174.8	-93.1	157.4	0	0	0	115.8
109	T	22.3	Very low	24.1	Very low	122 Å²	122	140.2 Å²	140.2	75%	0.748	80%	0.803	S	S	*	*			trans	-144.5	78.9	177	52.9	0	0	0	0	110.3	S107 E111	S107-T109 PolarHBondContact O-N 2.9Å; T109-E111 PolarHBondContact O-N 3.18Å
110	A	23.6	Very low	24	Very low	76 Å²	76	143.7 Å²	143.7	63%	0.628	81%	0.806	S	S	*	*			trans	-90.8	88.9	159.8	0	0	0	0	0	107.4	C112	A110-C112 PolarHBondContact O-N 2.98Å
111	E	21	Very low	24	Very low	189 Å²	189	146 Å²	146	88%	0.883	81%	0.813	S	S	*	*			trans	-63.9	100.3	169	-75.6	-171.9	158.4	0	0	108.4	T109 A113	T109-E111 PolarHBondContact O-N 3.18Å; E111-A113 VanDerWaalsContact C-N 3.28Å; E111-A113 PolarHBondContact O-N 2.81Å
112	C	24.7	Very low	23.9	Very low	110 Å²	110	150 Å²	150	74%	0.743	82%	0.82	S	S	*	*			trans	-65.2	94.7	165.9	-74.6	0	0	0	0	107.3	A110 Q114	A110-C112 PolarHBondContact O-N 2.98Å; C112-Q114 VanDerWaalsContact C-N 3.27Å; C112-Q114 PolarHBondContact O-N 3.32Å
113	A	22.4	Very low	23.7	Very low	92 Å²	92	146.7 Å²	146.7	76%	0.76	82%	0.816	S	S	*	*			trans	-62.8	93.8	167	0	0	0	0	0	108	E111	E111-A113 VanDerWaalsContact C-N 3.28Å; E111-A113 PolarHBondContact O-N 2.81Å
114	Q	23.9	Very low	23.6	Very low	187 Å²	187	145.8 Å²	145.8	87%	0.874	81%	0.814	S	S	*	*	S	Bend	trans	177.1	121.7	131.8	-92.9	163.8	19.2	0	0	112.1	C112 A116	C112-Q114 VanDerWaalsContact C-N 3.27Å; C112-Q114 PolarHBondContact O-N 3.32Å; Q114-A116 PolarHBondContact O-N 2.78Å
115	R	22.7	Very low	23.4	Very low	259 Å²	259	146.6 Å²	146.6	98%	0.977	81%	0.813	S	S	*	*			trans	-29.6	118	172.8	-66.8	169	173.5	172.6	-2.6	115.3
116	A	26.5	Very low	23.4	Very low	97 Å²	97	150.8 Å²	150.8	80%	0.802	81%	0.811	S	S	*	*			trans	-154.7	99.6	146	0	0	0	0	0	109.9	Q114	Q114-A116 PolarHBondContact O-N 2.78Å
117	K	22.1	Very low	23.4	Very low	200 Å²	200	153 Å²	153	87%	0.87	81%	0.807	S	S	*	*			trans	-52.7	134.1	168.2	-76	176.1	170.6	-179.2	0	110
118	L	27.6	Very low	23.5	Very low	173 Å²	173	153.6 Å²	153.6	91%	0.906	81%	0.81	S	S	*	*			trans	177.5	154.8	145.8	-93	143.1	0	0	0	110.2
119	P	34	Very low	23.2	Very low	112 Å²	112	154.5 Å²	154.5	73%	0.727	81%	0.806	S	S	*	*				-108.9	160.9	-129.1	28.6	-11.3	0	0	0	114.7	Q121	P119-Q121 PolarHBondContact O-N 2.85Å
120	E	21.7	Very low	23.2	Very low	193 Å²	193	159.6 Å²	159.6	90%	0.902	81%	0.813	S	S	*	*			trans	-48.9	120.3	177.6	-62.4	170.7	157.3	0	0	113.7
121	Q	22.8	Very low	23.1	Very low	182 Å²	182	160.5 Å²	160.5	85%	0.85	82%	0.815	S	S	*	*			trans	-139.6	117	157.3	-96	-173.5	-12.6	0	0	110.3	P119	P119-Q121 PolarHBondContact O-N 2.85Å
122	H	21.4	Very low	23.2	Very low	200 Å²	200	161.1 Å²	161.1	93%	0.926	82%	0.815	S	S	*	*			trans	-72.7	126.9	171.6	-78	-65.2	0	0	0	110.6
123	V	20.3	Very low	23	Very low	126 Å²	126	163.9 Å²	163.9	76%	0.764	82%	0.822	S	S	*	*			trans	-117.5	113.3	179.6	-175.9	0	0	0	0	110.7
124	E	20.3	Very low	23.1	Very low	192 Å²	192	165.3 Å²	165.3	90%	0.897	82%	0.823	S	S	*	*			trans	-78	140.9	169.4	-113.1	-174.9	163.7	0	0	111.5
125	M	20	Very low	23.1	Very low	126 Å²	126	166.7 Å²	166.7	62%	0.621	83%	0.826	S	S	*	*			trans	-99.3	131.5	-172.3	-60.7	175.4	-154.2	0	0	113.4	M1	M1-M125 VanDerWaalsContact CA-SD 3.59Å; M1-M125 HydrophobicContact CB-CB 4.43Å; M1-M125 HydrophobicContact CB-CG 4.1Å; M1-M125 HydrophobicContact CB-SD 3.71Å; M1-M125 PolarHBondContact N-SD 3.29Å; M1-M125 VanDerWaalsContact O-CE 3.32Å; M1-M125 WeakPolarHBondContact O-CE 3.23Å
126	K	22.4	Very low	23.1	Very low	195 Å²	195	163.8 Å²	163.8	85%	0.848	82%	0.82	S	S	*	*			trans	-121	143.4	168.2	-78.9	-175.8	177.8	175.2	0	112.7	M1	M1-K126 WeakPolarHBondContact CE-O 3.47Å; M1-K126 VanDerWaalsContact SD-O 3.39Å
127	V	22.6	Very low	22.9	Very low	130 Å²	130	166.8 Å²	166.8	79%	0.788	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-89.5	142	-167.8	-176	0	0	0	0	112.3
128	P	24.6	Very low	22.8	Very low	83 Å²	83	162 Å²	162	54%	0.539	82%	0.82	S	S	.	*	P	Polyproline II helix	trans	-95.4	127	-171.7	32.6	-24	0	0	0	114	M1	M1-P128 HydrophobicContact CE-CG 4.02Å
129	F	20.4	Very low	22.6	Very low	201 Å²	201	161.4 Å²	161.4	88%	0.882	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-95.5	123	174.1	-103.7	-99.2	0	0	0	111.1
130	Y	21.9	Very low	21.9	Very low	228 Å²	228	165.7 Å²	165.7	89%	0.894	82%	0.824	S	S	*	*			trans	-94.5	111.5	165.9	-70.9	-87.6	0	0	0	109.4
131	S	22.2	Very low	21.9	Very low	95 Å²	95	164.6 Å²	164.6	66%	0.664	82%	0.819	S	S	*	*			trans	-123.7	136.1	171.7	65.8	0	0	0	0	109.5
132	K	22.5	Very low	22	Very low	202 Å²	202	160.8 Å²	160.8	88%	0.878	81%	0.81	S	S	*	*			trans	99.4	85	173.4	-54.5	175.6	-177.1	179.6	0	116.7
133	L	21.7	Very low	22	Very low	169 Å²	169	160.4 Å²	160.4	89%	0.885	81%	0.809	S	S	*	*			trans	-82.1	139.3	156	-97.2	149	0	0	0	110
134	P	22.9	Very low	22.1	Very low	122 Å²	122	161 Å²	161	79%	0.792	81%	0.807	S	S	*	*			trans	-79.7	134.6	-170.6	-10.9	28.7	0	0	0	113.8	K136	P134-K136 PolarHBondContact O-N 3.29Å
135	K	24.6	Very low	22.1	Very low	215 Å²	215	158.7 Å²	158.7	94%	0.935	80%	0.8	S	S	*	*	S	Bend	trans	-81.9	13.2	-169	-85	-174.1	174	-179.4	0	117.7
136	K	22.6	Very low	22.1	Very low	198 Å²	198	163.5 Å²	163.5	86%	0.861	81%	0.813	S	S	*	*			trans	-136.5	84.6	-175.8	-71.9	-173.4	179.7	179.9	0	113.4	P134	P134-K136 PolarHBondContact O-N 3.29Å
137	L	22.5	Very low	22	Very low	161 Å²	161	162.6 Å²	162.6	84%	0.843	80%	0.804	S	S	*	*			trans	-134.3	69.6	155.6	-106.4	146.6	0	0	0	107.4	L139	L137-L139 HydrophobicContact CD2-CD1 4.45Å; L137-L139 HydrophobicContact CD2-CG 4.48Å; L137-L139 PolarHBondContact O-N 3.46Å
138	A	20.8	Very low	22	Very low	99 Å²	99	165.2 Å²	165.2	82%	0.818	81%	0.805	S	S	*	*			trans	-86.8	93.4	169.7	0	0	0	0	0	108
139	L	21.5	Very low	21.8	Very low	161 Å²	161	170.7 Å²	170.7	84%	0.843	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-80.1	119.9	171.6	-78.2	160.8	0	0	0	109.1	L137	L137-L139 HydrophobicContact CD2-CD1 4.45Å; L137-L139 HydrophobicContact CD2-CG 4.48Å; L137-L139 PolarHBondContact O-N 3.46Å
140	K	20.7	Very low	21.7	Very low	202 Å²	202	168.9 Å²	168.9	88%	0.878	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-75.1	135.3	-177.5	-68.3	179.8	175.1	-179.3	0	111.4
141	Q	22	Very low	21.7	Very low	170 Å²	170	164.5 Å²	164.5	79%	0.794	81%	0.81	S	S	*	*	S	Bend	trans	-48.7	139.9	156.8	-64.3	173.5	-22.4	0	0	109.3
142	P	23.5	Very low	21.5	Very low	102 Å²	102	170.3 Å²	170.3	66%	0.662	82%	0.819	S	S	*	*			cis	-147.5	87	34.4	36.9	-11.8	0	0	0	113.8	L144	P142-L144 VanDerWaalsContact C-N 3.26Å
143	Q	21.1	Very low	21.5	Very low	192 Å²	192	171.8 Å²	171.8	90%	0.897	82%	0.819	S	S	*	*	S	Bend	trans	-90.7	7.3	159.2	-72.9	-172.7	-10.9	0	0	112.2	L145	Q143-L145 VanDerWaalsContact C-N 3.29Å; Q143-L145 PolarHBondContact O-N 2.73Å
144	L	22.9	Very low	21.6	Very low	137 Å²	137	167.1 Å²	167.1	72%	0.717	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-8.6	-176.4	-99.1	152	0	0	0	115	P142	P142-L144 VanDerWaalsContact C-N 3.26Å
145	L	21.4	Very low	21.5	Very low	144 Å²	144	169.1 Å²	169.1	75%	0.754	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-25.1	-178.7	-94.3	147.3	0	0	0	114	Q143 R147	Q143-L145 VanDerWaalsContact C-N 3.29Å; Q143-L145 PolarHBondContact O-N 2.73Å; L145-R147 VanDerWaalsContact C-N 3.34Å; L145-R147 PolarHBondContact O-N 3.29Å
146	Y	19.3	Very low	21.3	Very low	228 Å²	228	163.7 Å²	163.7	89%	0.894	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-7.6	-175.1	-107.3	-84.7	0	0	0	115.3
147	R	20.7	Very low	21.4	Very low	175 Å²	175	160.5 Å²	160.5	66%	0.66	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-9.2	177	-103.1	-179.9	172.1	179	-4.3	115.1	L145 K149	L145-R147 VanDerWaalsContact C-N 3.34Å; L145-R147 PolarHBondContact O-N 3.29Å; R147-K149 VanDerWaalsContact C-N 3.29Å; R147-K149 PolarHBondContact O-N 2.69Å
148	K	22.7	Very low	21.3	Very low	185 Å²	185	162.3 Å²	162.3	80%	0.804	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-5.3	-175.6	-101.7	-172.3	176.7	-174.8	0	115.7
149	K	19.4	Very low	21.3	Very low	199 Å²	199	166.8 Å²	166.8	87%	0.865	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	-10.4	-178	-115.2	-177.6	179.6	-177.7	0	116.9	R147	R147-K149 VanDerWaalsContact C-N 3.29Å; R147-K149 PolarHBondContact O-N 2.69Å
150	L	19.3	Very low	21.4	Very low	163 Å²	163	163.1 Å²	163.1	85%	0.853	76%	0.764	S	S	*	*	S	Bend	trans	-118.6	9.6	-171.8	-91.4	159.5	0	0	0	116
151	L	21.4	Very low	21.4	Very low	136 Å²	136	161.6 Å²	161.6	71%	0.712	76%	0.76	S	S	*	*			trans	-107.6	20.9	174.6	-84.6	157.3	0	0	0	113.3
152	Y	19.1	Very low	21.4	Very low	216 Å²	216	164.9 Å²	164.9	85%	0.847	77%	0.766	S	S	*	*			trans	-95.1	121.6	168.1	-115.6	-96.1	0	0	0	108.8
153	R	21	Very low	21.2	Very low	234 Å²	234	162.6 Å²	162.6	88%	0.883	75%	0.752	S	S	*	*	S	Bend	trans	103.1	56.2	174.2	-56.7	179.8	173.4	-179.9	-2.4	117.3	L155	R153-L155 VanDerWaalsContact C-N 3.27Å; R153-L155 PolarHBondContact O-N 2.68Å
154	G	24.3	Very low	21.2	Very low	71 Å²	71	161 Å²	161	73%	0.732	74%	0.738	S	S	*	*	S	Bend		55.4	1.5	110.6	0	0	0	0	0	122.8
155	L	21.5	Very low	21.1	Very low	163 Å²	163	158.4 Å²	158.4	85%	0.853	73%	0.731	S	S	*	*	S	Bend	trans	-130.3	10.9	-178.7	-91.5	162	0	0	0	115.1	R153	R153-L155 VanDerWaalsContact C-N 3.27Å; R153-L155 PolarHBondContact O-N 2.68Å
156	L	20.8	Very low	21.1	Very low	101 Å²	101	156.1 Å²	156.1	53%	0.529	72%	0.723	S	S	.	*			trans	-110.4	-3.9	174.5	-85.4	161.2	0	0	0	115	K158 Y159 Q160	L156-K158 PolarHBondContact O-N 3.36Å; L156-K158 VanDerWaalsContact O-N 3.09Å; L156-Y159 PolarHBondContact O-N 3.45Å; L156-Q160 HydrophobicContact CB-CG 4.42Å; L156-Q160 HydrophobicContact CD2-CG 4.21Å; L156-Q160 PolarHBondContact O-N 3.03Å
157	D	23	Very low	21.2	Very low	131 Å²	131	149.1 Å²	149.1	70%	0.701	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-12	-176.8	-73.1	-20.3	0	0	0	114.7
158	K	21.5	Very low	21.2	Very low	199 Å²	199	144.9 Å²	144.9	87%	0.865	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-11.2	168.1	-87.8	-170.8	174.9	-178.6	0	115	L156	L156-K158 PolarHBondContact O-N 3.36Å; L156-K158 VanDerWaalsContact O-N 3.09Å
159	Y	21	Very low	21.1	Very low	194 Å²	194	141.5 Å²	141.5	76%	0.761	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	-10.8	-176.7	-88.4	-78.4	0	0	0	114.5	L156	L156-Y159 PolarHBondContact O-N 3.45Å
160	Q	22.3	Very low	21.2	Very low	83 Å²	83	138.2 Å²	138.2	39%	0.388	68%	0.684	S	S	.	*	S	Bend	trans	-99.1	-4.5	175.6	-82.4	-156.9	-14.5	0	0	116.8	L156 W162 S163 W164	L156-Q160 HydrophobicContact CB-CG 4.42Å; L156-Q160 HydrophobicContact CD2-CG 4.21Å; L156-Q160 PolarHBondContact O-N 3.03Å; Q160-W162 PolarHBondContact O-N 2.76Å; Q160-W162 VanDerWaalsContact O-N 3.09Å; Q160-S163 WeakPolarHBondContact CG-OG 3.45Å; Q160-S163 PolarHBondContact O-N 2.82Å; Q160-S163 PolarHBondContact O-OG 2.85Å; Q160-W164 PolarHBondContact O-N 2.94Å
161	E	22.1	Very low	21.3	Very low	170 Å²	170	138.4 Å²	138.4	79%	0.794	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-15.3	173.4	-84.4	-168.8	154	0	0	113.2
162	W	20.9	Very low	21.4	Very low	239 Å²	239	139.9 Å²	139.9	91%	0.905	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-6.7	172.5	-88.2	46.6	0	0	0	115.1	Q160	Q160-W162 PolarHBondContact O-N 2.76Å; Q160-W162 VanDerWaalsContact O-N 3.09Å
163	S	20.4	Very low	21.5	Very low	55 Å²	55	137.4 Å²	137.4	39%	0.385	67%	0.674	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.4	-5.6	177.4	70	0	0	0	0	114.1	Q160	Q160-S163 WeakPolarHBondContact CG-OG 3.45Å; Q160-S163 PolarHBondContact O-N 2.82Å; Q160-S163 PolarHBondContact O-OG 2.85Å
164	W	20.1	Very low	21.7	Very low	159 Å²	159	133 Å²	133	60%	0.602	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-4.2	179.3	-80.7	48	0	0	0	114.8	Q160 S168	Q160-W164 PolarHBondContact O-N 2.94Å; W164-S168 PolarHBondContact O-OG 3.16Å
165	S	21.6	Very low	21.7	Very low	81 Å²	81	138 Å²	138	57%	0.566	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-8.3	177.7	74.9	0	0	0	0	115.5
166	V	21.1	Very low	21.7	Very low	97 Å²	97	138.6 Å²	138.6	59%	0.588	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-39.1	-179.5	-176.6	0	0	0	0	112.1
167	A	20	Very low	21.8	Very low	80 Å²	80	143 Å²	143	66%	0.661	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-28.4	-173.2	0	0	0	0	0	114.5
168	S	20.6	Very low	21.7	Very low	87 Å²	87	145.9 Å²	145.9	61%	0.608	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-11.2	176	52.1	0	0	0	0	113.6	W164	W164-S168 PolarHBondContact O-OG 3.16Å
169	Y	22	Very low	21.6	Very low	114 Å²	114	139.9 Å²	139.9	45%	0.447	68%	0.684	S	S	.	*	G	3₁₀ helix	trans	-81.9	-19	177	-150.5	-81	0	0	0	113	Y173 K204	Y169-Y173 HydrophobicContact CE1-CD2 4.28Å; Y169-Y173 HydrophobicContact CE1-CE2 4.31Å; Y169-K204 HydrophobicContact CE1-CD 4.29Å; Y169-K204 VanDerWaalsContact CE2-NZ 3.26Å; Y169-K204 VanDerWaalsContact CZ-CE 3.42Å
170	N	20.9	Very low	21.5	Very low	129 Å²	129	135.7 Å²	135.7	69%	0.69	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-86.7	0.7	-177.1	-80.4	1.4	0	0	0	115
171	Q	22.4	Very low	21.4	Very low	168 Å²	168	137.7 Å²	137.7	79%	0.785	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-108	2.2	-178.9	-78	-169.8	-16.7	0	0	115.6
172	Q	22.4	Very low	21.2	Very low	167 Å²	167	135.6 Å²	135.6	78%	0.78	69%	0.689	S	S	*	*	S	Bend	trans	-120.1	7.7	-176.3	-99.5	-174.8	-17.1	0	0	116.6
173	Y	22.6	Very low	21.2	Very low	163 Å²	163	131.9 Å²	131.9	64%	0.639	68%	0.68	S	S	*	*			trans	-133.3	62.7	173	-67.4	-81.1	0	0	0	110.5	Y169 Q175	Y169-Y173 HydrophobicContact CE1-CD2 4.28Å; Y169-Y173 HydrophobicContact CE1-CE2 4.31Å; Y173-Q175 PolarHBondContact O-N 2.82Å
174	D	23.9	Very low	21.2	Very low	143 Å²	143	135.6 Å²	135.6	77%	0.765	70%	0.695	S	S	*	*			trans	-86.1	17.1	170.6	-108	-11.6	0	0	0	112.8
175	Q	23.6	Very low	21.2	Very low	174 Å²	174	135.9 Å²	135.9	81%	0.813	71%	0.709	S	S	*	*			trans	-145.7	88	170.3	-67.9	-169.6	-7	0	0	109.1	Y173	Y173-Q175 PolarHBondContact O-N 2.82Å
176	E	22.2	Very low	21.2	Very low	176 Å²	176	136 Å²	136	82%	0.822	71%	0.709	S	S	*	*	S	Bend	trans	-169.2	128.6	143	-104.7	165.4	-153.5	0	0	108.3	F178	E176-F178 PolarHBondContact O-N 3.39Å
177	E	22.5	Very low	21.2	Very low	194 Å²	194	136.2 Å²	136.2	91%	0.907	72%	0.715	S	S	*	*			trans	-38.8	114.4	-171.2	-67.3	167.6	150.8	0	0	113	A179	E177-A179 PolarHBondContact O-N 2.73Å
178	F	20.5	Very low	21.2	Very low	191 Å²	191	140 Å²	140	84%	0.838	72%	0.719	S	S	*	*			trans	-54.5	109	172.6	-72.3	-92.9	0	0	0	109.3	E176 S180	E176-F178 PolarHBondContact O-N 3.39Å; F178-S180 PolarHBondContact O-N 3.3Å
179	A	20.3	Very low	21.2	Very low	74 Å²	74	144.3 Å²	144.3	61%	0.612	72%	0.723	S	S	*	*			trans	-58.7	102.6	162.1	0	0	0	0	0	107.8	E177 F181	E177-A179 PolarHBondContact O-N 2.73Å; A179-F181 HydrophobicContact CB-CE2 3.91Å; A179-F181 HydrophobicContact CB-CZ 4.36Å; A179-F181 VanDerWaalsContact O-CD2 3.24Å; A179-F181 WeakPolarHBondContact O-CD2 3.49Å; A179-F181 PolarHBondContact O-N 3.45Å
180	S	18.6	Very low	21.2	Very low	105 Å²	105	147 Å²	147	73%	0.734	74%	0.738	S	S	*	*			trans	-67.7	114.2	173.5	62.5	0	0	0	0	108.4	F178	F178-S180 PolarHBondContact O-N 3.3Å
181	F	20.1	Very low	21.1	Very low	125 Å²	125	144.7 Å²	144.7	55%	0.548	74%	0.744	S	S	.	*			trans	-94.6	109.2	168.7	-68.8	-86.2	0	0	0	107.7	A179 F183	A179-F181 HydrophobicContact CB-CE2 3.91Å; A179-F181 HydrophobicContact CB-CZ 4.36Å; A179-F181 VanDerWaalsContact O-CD2 3.24Å; A179-F181 WeakPolarHBondContact O-CD2 3.49Å; A179-F181 PolarHBondContact O-N 3.45Å; F181-F183 HydrophobicContact CB-CE2 4.34Å; F181-F183 WeakPolarHBondContact O-CD2 3.42Å; F181-F183 PolarHBondContact O-N 2.85Å
182	T	18.8	Very low	21.1	Very low	126 Å²	126	141.1 Å²	141.1	77%	0.773	74%	0.738	S	S	*	*			trans	-80.1	110.4	173.2	-27.8	0	0	0	0	107.9	N184	T182-N184 PolarHBondContact O-N 3.49Å
183	F	19.5	Very low	21	Very low	161 Å²	161	139.3 Å²	139.3	71%	0.706	73%	0.732	S	S	*	*			trans	-79.7	99.7	176	-66.6	-91.7	0	0	0	108.4	F181 D185	F181-F183 HydrophobicContact CB-CE2 4.34Å; F181-F183 WeakPolarHBondContact O-CD2 3.42Å; F181-F183 PolarHBondContact O-N 2.85Å; F183-D185 PolarHBondContact O-N 3.1Å
184	N	20.5	Very low	21	Very low	133 Å²	133	137.7 Å²	137.7	71%	0.711	74%	0.739	S	S	*	*			trans	-85	107.9	162.2	-94.1	-0.1	0	0	0	107.8	T182 S186	T182-N184 PolarHBondContact O-N 3.49Å; N184-S186 VanDerWaalsContact C-N 3.3Å; N184-S186 PolarHBondContact O-N 3.12Å
185	D	22	Very low	20.8	Very low	166 Å²	166	138 Å²	138	89%	0.888	74%	0.736	S	S	*	*			trans	-60.5	89.4	167.9	-105.9	-23.6	0	0	0	109.2	F183	F183-D185 PolarHBondContact O-N 3.1Å
186	S	20.2	Very low	20.8	Very low	82 Å²	82	137.8 Å²	137.8	57%	0.573	74%	0.735	S	S	*	*			trans	-167.4	109.4	156.7	57.3	0	0	0	0	107.9	N184	N184-S186 VanDerWaalsContact C-N 3.3Å; N184-S186 PolarHBondContact O-N 3.12Å
187	S	20.9	Very low	20.8	Very low	102 Å²	102	134.6 Å²	134.6	71%	0.713	73%	0.73	S	S	*	*	S	Bend	trans	22.6	126.1	148	51.7	0	0	0	0	118.3
188	E	21.3	Very low	20.8	Very low	159 Å²	159	132.4 Å²	132.4	74%	0.743	73%	0.725	S	S	*	*			trans	96.8	84.2	164.8	-55.8	-178.6	179.2	0	0	116	F190	E188-F190 HydrophobicContact CB-CD2 4.38Å; E188-F190 HydrophobicContact CB-CE2 3.91Å
189	Y	20.5	Very low	20.8	Very low	179 Å²	179	127.6 Å²	127.6	70%	0.702	72%	0.715	S	S	*	*			trans	-90.3	109.9	175.1	-70.4	-78	0	0	0	111.3
190	F	20.6	Very low	20.9	Very low	170 Å²	170	132.4 Å²	132.4	75%	0.746	73%	0.73	S	S	*	*			trans	-119	129.5	168.2	-62.4	-80.4	0	0	0	109.5	E188	E188-F190 HydrophobicContact CB-CD2 4.38Å; E188-F190 HydrophobicContact CB-CE2 3.91Å
191	G	20.5	Very low	21.1	Very low	81 Å²	81	132.6 Å²	132.6	84%	0.835	73%	0.729	S	S	*	*			trans	-161.2	124.5	173.6	0	0	0	0	0	110.7
192	S	21.8	Very low	21.3	Very low	93 Å²	93	131.7 Å²	131.7	65%	0.65	74%	0.744	S	S	*	*			trans	-109.9	138.4	-179.8	57.6	0	0	0	0	110.6
193	I	20.3	Very low	21.5	Very low	128 Å²	128	134.9 Å²	134.9	66%	0.656	75%	0.752	S	S	*	*			trans	-124.5	117.3	172.6	-59.4	177.9	0	0	0	107.8
194	V	21.9	Very low	21.6	Very low	130 Å²	130	133.7 Å²	133.7	79%	0.788	75%	0.747	S	S	*	*			trans	-94.5	108.6	178.1	177.7	0	0	0	0	108.2
195	H	21.2	Very low	21.7	Very low	149 Å²	149	136.5 Å²	136.5	69%	0.69	75%	0.748	S	S	*	*			trans	-101.5	111.3	177.9	-84	-40.8	0	0	0	111.6
196	Q	22.3	Very low	21.8	Very low	169 Å²	169	138.4 Å²	138.4	79%	0.79	75%	0.748	S	S	*	*			trans	-78.4	128.3	165.7	-77.8	-180	-18.8	0	0	109.8	N198	Q196-N198 PolarHBondContact O-N 3.17Å
197	C	22.7	Very low	21.8	Very low	109 Å²	109	141.8 Å²	141.8	74%	0.736	76%	0.759	S	S	*	*	S	Bend	trans	-62	12.3	-167.1	-69.6	0	0	0	0	118.1
198	N	21.5	Very low	22	Very low	148 Å²	148	141.5 Å²	141.5	79%	0.791	75%	0.753	S	S	*	*	S	Bend	trans	-122.9	44.8	-171.4	-70.8	-27.2	0	0	0	114.7	Q196	Q196-N198 PolarHBondContact O-N 3.17Å
199	S	21.2	Very low	22.1	Very low	90 Å²	90	140.8 Å²	140.8	63%	0.629	75%	0.754	S	S	*	*			trans	171.1	112.9	147.2	49.2	0	0	0	0	110.8	P201	S199-P201 WeakPolarHBondContact O-CD 3.05Å
200	L	22.5	Very low	22.3	Very low	175 Å²	175	134.3 Å²	134.3	92%	0.916	73%	0.731	S	S	*	*			trans	-100.8	107.4	174	-87	155	0	0	0	110.6
201	P	23.5	Very low	22.5	Very low	110 Å²	110	129.4 Å²	129.4	71%	0.714	72%	0.722	S	S	*	*			trans	-103.1	135.2	149.4	14	4.6	0	0	0	110.1	S199 M203	S199-P201 WeakPolarHBondContact O-CD 3.05Å; P201-M203 PolarHBondContact O-N 2.98Å
202	A	23.3	Very low	22.7	Very low	106 Å²	106	128.6 Å²	128.6	88%	0.876	70%	0.696	S	S	*	*			trans	-59	123.6	-171.4	0	0	0	0	0	113.9
203	M	24.2	Very low	22.9	Very low	192 Å²	192	127.8 Å²	127.8	95%	0.946	69%	0.688	S	S	*	*			trans	-116.8	132.3	162.1	-89.1	-155.1	-120.4	0	0	111	P201	P201-M203 PolarHBondContact O-N 2.98Å
204	K	21.9	Very low	23.1	Very low	137 Å²	137	124.4 Å²	124.4	60%	0.596	67%	0.67	S	S	*	*			trans	-83.7	114.1	173.4	-68.9	-178.6	172.9	-165.5	0	110.1	Y169	Y169-K204 HydrophobicContact CE1-CD 4.29Å; Y169-K204 VanDerWaalsContact CE2-NZ 3.26Å; Y169-K204 VanDerWaalsContact CZ-CE 3.42Å
205	R	22.3	Very low	23.3	Very low	191 Å²	191	125.4 Å²	125.4	72%	0.721	66%	0.66	S	S	*	*			trans	-167.7	139.3	140.4	-106.1	173.3	-179.2	176.3	1.7	108.7	L207	R205-L207 PolarHBondContact O-N 3.41Å
206	K	22.6	Very low	23.5	Very low	206 Å²	206	121.1 Å²	121.1	90%	0.896	64%	0.642	S	S	*	*			trans	-71.8	113.1	-163.8	-65.8	169.8	177	172.3	0	111.6
207	L	21.6	Very low	23.6	Very low	154 Å²	154	117.5 Å²	117.5	81%	0.806	63%	0.628	S	S	*	*			trans	-120	131.6	158.6	-82.5	159	0	0	0	106.6	R205 D209	R205-L207 PolarHBondContact O-N 3.41Å; L207-D209 PolarHBondContact O-N 3.43Å
208	T	23.5	Very low	23.8	Very low	95 Å²	95	115 Å²	115	58%	0.583	61%	0.612	S	S	*	*			trans	-55	119.3	177.9	24.6	0	0	0	0	110.6	I210 F346	T208-I210 PolarHBondContact O-N 3.04Å; T208-F346 WeakPolarHBondContact CG2-O 3.33Å
209	D	23.5	Very low	24	Very low	145 Å²	145	113.1 Å²	113.1	78%	0.775	60%	0.601	S	S	*	*			trans	-70.6	122	178.9	-68	-42.5	0	0	0	110.4	L207	L207-D209 PolarHBondContact O-N 3.43Å
210	I	25.5	Very low	24.2	Very low	42 Å²	42	116.2 Å²	116.2	22%	0.215	61%	0.606	C	S	.	*			trans	-111.2	126	172.3	-58.2	178.3	0	0	0	107.8	T208 H212 I344 E345	T208-I210 PolarHBondContact O-N 3.04Å; I210-H212 WeakPolarHBondContact CG2-CE1 3.3Å; I210-H212 WeakPolarHBondContact CG2-NE2 3.35Å; I210-I344 VanDerWaalsContact CG2-O 3.32Å; I210-I344 WeakPolarHBondContact CG2-O 3.48Å; I210-E345 HydrophobicContact CD1-CG 4.31Å
211	A	24.5	Very low	24.2	Very low	67 Å²	67	115.7 Å²	115.7	55%	0.554	60%	0.596	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.2	142	177	0	0	0	0	0	111.1
212	H	25.8	Very low	24.2	Very low	64 Å²	64	116.8 Å²	116.8	30%	0.296	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.6	143.3	-175.5	-56.4	82.1	0	0	0	111.6	I210 W243 L343	I210-H212 WeakPolarHBondContact CG2-CE1 3.3Å; I210-H212 WeakPolarHBondContact CG2-NE2 3.35Å; H212-W243 AromaticContact CE1-CZ2 3.46Å; H212-W243 VanDerWaalsContact CE1-CZ2 3.46Å; H212-W243 WeakPolarHBondContact CE1-CZ2 3.31Å; H212-W243 AromaticContact NE2-CH2 3.56Å; H212-W243 AromaticContact NE2-CZ2 3.43Å; H212-W243 WeakPolarHBondContact NE2-CZ2 3.29Å; H212-L343 VanDerWaalsContact CD2-CD2 3.45Å; H212-L343 WeakPolarHBondContact CD2-CD2 3.49Å; H212-L343 WeakPolarHBondContact NE2-CD2 3.18Å
213	V	25.2	Very low	24.3	Very low	77 Å²	77	119 Å²	119	47%	0.467	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.2	125.8	166.3	-172.8	0	0	0	0	107.9	Y215 E342	V213-Y215 HydrophobicContact CG1-CD2 4.4Å; V213-Y215 HydrophobicContact CG1-CE2 3.5Å; V213-Y215 WeakPolarHBondContact CG1-OH 3.09Å; V213-E342 PolarHBondContact O-N 2.85Å
214	M	25.3	Very low	24.3	Very low	56 Å²	56	114.4 Å²	114.4	28%	0.276	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.7	139.1	-175.8	-60	-179.5	105.2	0	0	111.1	L252 M254 M279 I281 L339 A341	M214-L252 HydrophobicContact CE-CD2 4.19Å; M214-M254 HydrophobicContact CE-SD 4.23Å; M214-M254 HydrophobicContact SD-CE 4.47Å; M214-M254 HydrophobicContact SD-SD 3.65Å; M214-M254 VanDerWaalsContact SD-SD 3.65Å; M214-M279 HydrophobicContact CE-CE 3.54Å; M214-M279 HydrophobicContact SD-CE 4.43Å; M214-I281 HydrophobicContact CE-CD1 3.81Å; M214-L339 HydrophobicContact CE-CD1 4.34Å; M214-A341 HydrophobicContact CE-CB 3.65Å; M214-A341 HydrophobicContact CG-CB 3.89Å
215	Y	25.1	Very low	24.3	Very low	151 Å²	151	111.6 Å²	111.6	59%	0.592	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-129.6	133.9	176.3	-57.1	-84.5	0	0	0	109.9	V213 I340	V213-Y215 HydrophobicContact CG1-CD2 4.4Å; V213-Y215 HydrophobicContact CG1-CE2 3.5Å; V213-Y215 WeakPolarHBondContact CG1-OH 3.09Å; Y215-I340 PolarHBondContact N-O 3.19Å; Y215-I340 PolarHBondContact O-N 2.68Å
216	I	25.4	Very low	24.5	Very low	60 Å²	60	109.7 Å²	109.7	31%	0.308	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.3	120.9	174.2	-56.6	175.5	0	0	0	107.2	Y257 L339	I216-Y257 HydrophobicContact CD1-CD2 4.07Å; I216-Y257 HydrophobicContact CD1-CE2 3.5Å; I216-Y257 VanDerWaalsContact CD1-CE2 3.5Å; I216-L339 HydrophobicContact CG1-CD1 3.96Å
217	L	24.2	Very low	24.5	Very low	93 Å²	93	105.9 Å²	105.9	49%	0.487	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.4	125.1	-178.1	-61.9	171	0	0	0	109	S337 T338	L217-S337 CarbonylContact O-C 3.6Å; L217-S337 WeakPolarHBondContact O-CA 3.29Å; L217-T338 PolarHBondContact N-O 2.88Å; L217-T338 PolarHBondContact O-N 3.3Å
218	S	26.4	Very low	24.5	Very low	57 Å²	57	101.5 Å²	101.5	40%	0.399	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	145.6	174.9	102.5	0	0	0	0	111.1	Q220	S218-Q220 PolarHBondContact O-N 3.49Å
219	D	26.7	Very low	24.5	Very low	107 Å²	107	104.2 Å²	104.2	57%	0.572	54%	0.541	S	S	*	.	S	Bend	trans	-75.5	2.6	-173.3	-75.3	-17.2	0	0	0	114.3	K221	D219-K221 PolarHBondContact O-N 2.94Å
220	Q	24.3	Very low	24.5	Very low	155 Å²	155	101.6 Å²	101.6	72%	0.724	54%	0.539	S	S	*	.	S	Bend	trans	-87.6	95.3	-179.3	-65.1	-155.9	4.8	0	0	112.4	S218	S218-Q220 PolarHBondContact O-N 3.49Å
221	K	23.3	Very low	24.4	Very low	164 Å²	164	103.6 Å²	103.6	71%	0.713	56%	0.557	S	S	*	*			trans	60.4	83.2	165	-65.9	-174.7	178.7	179.6	0	116.3	D219 D223 I224	D219-K221 PolarHBondContact O-N 2.94Å; K221-D223 PolarHBondContact O-N 3.26Å; K221-I224 PolarHBondContact O-N 2.8Å
222	I	24.8	Very low	24.2	Very low	133 Å²	133	106.2 Å²	106.2	68%	0.682	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-51.6	-25.2	170.8	-65.5	171.8	0	0	0	113.4	I224 L225	I222-I224 PolarHBondContact O-N 2.9Å; I222-L225 PolarHBondContact O-N 2.79Å
223	D	24.5	Very low	24	Very low	152 Å²	152	111.2 Å²	111.2	81%	0.813	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-73.5	-22.7	-172.2	-63.6	-33.2	0	0	0	115.2	K221	K221-D223 PolarHBondContact O-N 3.26Å
224	I	23.5	Very low	23.9	Very low	97 Å²	97	112.7 Å²	112.7	50%	0.497	60%	0.596	S	S	.	*	G	3₁₀ helix	trans	-90.1	-14.9	179.5	-58.6	176.7	0	0	0	111.7	K221 I222 N226 D227 I264	K221-I224 PolarHBondContact O-N 2.8Å; I222-I224 PolarHBondContact O-N 2.9Å; I224-N226 PolarHBondContact O-N 3.22Å; I224-N226 VanDerWaalsContact O-N 3.14Å; I224-D227 PolarHBondContact O-N 2.73Å; I224-I264 HydrophobicContact CG2-CD1 4.49Å
225	L	22.1	Very low	23.7	Very low	77 Å²	77	121.4 Å²	121.4	40%	0.403	63%	0.626	S	S	.	*	H	α-helix	trans	-67.5	-14.2	-175.9	-90	159.1	0	0	0	114.3	I222 F229	I222-L225 PolarHBondContact O-N 2.79Å; L225-F229 HydrophobicContact CD2-CD2 4Å; L225-F229 HydrophobicContact CD2-CE2 4.32Å; L225-F229 WeakPolarHBondContact O-CB 3.21Å
226	N	26	Very low	23.5	Very low	152 Å²	152	123.5 Å²	123.5	81%	0.813	64%	0.638	S	S	*	*	H	α-helix	trans	-74.2	-26.1	177.9	-96.1	-16.6	0	0	0	114.1	I224	I224-N226 PolarHBondContact O-N 3.22Å; I224-N226 VanDerWaalsContact O-N 3.14Å
227	D	23.1	Very low	23.4	Very low	126 Å²	126	128.9 Å²	128.9	67%	0.674	66%	0.662	S	S	*	*	H	α-helix	trans	-98	-28.3	-174.1	-88.5	-41.3	0	0	0	114.3	I224 K567	I224-D227 PolarHBondContact O-N 2.73Å; D227-K567 IonicContact OD1-NZ 3.73Å
228	S	22.2	Very low	23.3	Very low	61 Å²	61	129.1 Å²	129.1	43%	0.427	68%	0.678	S	S	.	*	H	α-helix	trans	-89.5	-19.7	-179.7	50.9	0	0	0	0	114.1	A230 S231	S228-A230 PolarHBondContact O-N 3.42Å; S228-A230 VanDerWaalsContact O-N 3.1Å; S228-S231 PolarHBondContact O-N 3.18Å
229	F	22.3	Very low	23.1	Very low	153 Å²	153	131.1 Å²	131.1	67%	0.671	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-26.8	-177.8	-138.1	-96.4	0	0	0	114.2	L225	L225-F229 HydrophobicContact CD2-CD2 4Å; L225-F229 HydrophobicContact CD2-CE2 4.32Å; L225-F229 WeakPolarHBondContact O-CB 3.21Å
230	A	23.7	Very low	22.9	Very low	89 Å²	89	131 Å²	131	74%	0.736	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-14.4	-169.2	0	0	0	0	0	115	S228	S228-A230 PolarHBondContact O-N 3.42Å; S228-A230 VanDerWaalsContact O-N 3.1Å
231	S	23.4	Very low	22.9	Very low	85 Å²	85	125.2 Å²	125.2	59%	0.594	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-27.6	-170.1	67.6	0	0	0	0	116.9	S228	S228-S231 PolarHBondContact O-N 3.18Å
232	N	21.1	Very low	23	Very low	121 Å²	121	122.4 Å²	122.4	65%	0.647	67%	0.667	S	S	*	*	S	Bend	trans	-110.3	-9.2	-164.2	-71.3	6.2	0	0	0	117.2	S234	N232-S234 PolarHBondContact O-N 3.3Å
233	F	22	Very low	23.1	Very low	170 Å²	170	120.3 Å²	120.3	75%	0.746	65%	0.65	S	S	*	*			trans	-83.8	84.8	178.3	-93.1	-89.2	0	0	0	113.1	R235	F233-R235 PolarHBondContact O-N 3.47Å
234	S	21.6	Very low	23.1	Very low	107 Å²	107	117.6 Å²	117.6	75%	0.748	64%	0.64	S	S	*	*			trans	-80.5	108	160.4	70.8	0	0	0	0	109.7	N232 K236	N232-S234 PolarHBondContact O-N 3.3Å; S234-K236 PolarHBondContact O-N 3.19Å
235	R	22.1	Very low	23.1	Very low	240 Å²	240	120.3 Å²	120.3	91%	0.906	65%	0.654	S	S	*	*			trans	-37.3	120.9	172.8	-71.9	173.3	169.2	174.9	-5.7	113.3	F233	F233-R235 PolarHBondContact O-N 3.47Å
236	K	21.5	Very low	23.3	Very low	194 Å²	194	118.7 Å²	118.7	84%	0.843	66%	0.656	S	S	*	*			trans	166.4	109.2	159.1	-94.4	157.9	-172.4	-166.8	0	103.9	S234	S234-K236 PolarHBondContact O-N 3.19Å
237	E	22	Very low	23.3	Very low	174 Å²	174	119.3 Å²	119.3	81%	0.813	66%	0.659	S	S	*	*				-169.8	134.7	70.1	-83.2	159.7	-178.5	0	0	107.7
238	A	22.4	Very low	23.7	Very low	98 Å²	98	117.3 Å²	117.3	81%	0.81	66%	0.656	S	S	*	*			trans	-93.7	115.1	171.5	0	0	0	0	0	108
239	C	22.8	Very low	24.1	Very low	99 Å²	99	119 Å²	119	67%	0.669	66%	0.657	S	S	*	*			trans	-87.4	134.1	172.9	-69.9	0	0	0	0	109.9
240	S	23	Very low	24.5	Very low	103 Å²	103	113.4 Å²	113.4	72%	0.72	63%	0.632	S	S	*	*			trans	-102.2	136.3	178.1	56.2	0	0	0	0	111.4
241	S	24	Very low	25	Very low	34 Å²	34	111 Å²	111	24%	0.238	61%	0.608	C	S	.	*			trans	-109.4	160.4	-173.8	51.7	0	0	0	0	113.4	W243 L252 A253	S241-W243 PolarHBondContact O-NE1 3.16Å; S241-L252 WeakPolarHBondContact OG-CD1 3.38Å; S241-A253 WeakPolarHBondContact CB-O 3.35Å
242	L	24.3	Very low	25.7	Very low	106 Å²	106	107.1 Å²	107.1	56%	0.555	58%	0.581	S	S	*	*			trans	-91.9	143.4	-174.8	-170.9	83.9	0	0	0	111.8
243	W	27.1	Very low	26.3	Very low	88 Å²	88	103.4 Å²	103.4	33%	0.333	57%	0.567	S	S	.	*			trans	-130.6	138.9	-176.3	-55.2	95.5	0	0	0	112.9	H212 S241 F250 L252 L343	H212-W243 AromaticContact CE1-CZ2 3.46Å; H212-W243 VanDerWaalsContact CE1-CZ2 3.46Å; H212-W243 WeakPolarHBondContact CE1-CZ2 3.31Å; H212-W243 AromaticContact NE2-CH2 3.56Å; H212-W243 AromaticContact NE2-CZ2 3.43Å; H212-W243 WeakPolarHBondContact NE2-CZ2 3.29Å; S241-W243 PolarHBondContact O-NE1 3.16Å; W243-F250 HydrophobicContact CE3-CD2 4.2Å; W243-F250 AromaticContact CE3-CE2 3.6Å; W243-F250 HydrophobicContact CE3-CE2 3.6Å; W243-F250 AromaticContact CE3-CZ 3.84Å; W243-F250 HydrophobicContact CE3-CZ 3.84Å; W243-F250 AromaticContact CH2-CE1 3.94Å; W243-F250 HydrophobicContact CH2-CE1 3.94Å; W243-F250 AromaticContact CH2-CE2 3.91Å; W243-F250 HydrophobicContact CH2-CE2 3.91Å; W243-F250 AromaticContact CH2-CZ 3.3Å; W243-F250 HydrophobicContact CH2-CZ 3.3Å; W243-F250 HydrophobicContact CZ3-CD1 4.21Å; W243-F250 AromaticContact CZ3-CD2 3.98Å; W243-F250 HydrophobicContact CZ3-CD2 3.98Å; W243-F250 AromaticContact CZ3-CE1 3.47Å; W243-F250 HydrophobicContact CZ3-CE1 3.47Å; W243-F250 VanDerWaalsContact CZ3-CE1 3.47Å; W243-F250 AromaticContact CZ3-CE2 3.18Å; W243-F250 HydrophobicContact CZ3-CE2 3.18Å; W243-F250 HydrophobicContact CZ3-CG 4.46Å; W243-F250 AromaticContact CZ3-CZ 2.91Å; W243-F250 HydrophobicContact CZ3-CZ 2.91Å; W243-L252 HydrophobicContact CH2-CB 3.79Å; W243-L252 HydrophobicContact CH2-CD1 3.45Å; W243-L252 VanDerWaalsContact CH2-CD1 3.45Å; W243-L252 HydrophobicContact CH2-CD2 4.45Å; W243-L252 HydrophobicContact CH2-CG 4.07Å; W243-L252 HydrophobicContact CZ2-CD1 3.64Å; W243-L252 HydrophobicContact CZ3-CB 3.86Å; W243-L252 HydrophobicContact CZ3-CD1 4.18Å; W243-L343 HydrophobicContact CH2-CD2 4.47Å
244	T	24.2	Very low	27	Very low	96 Å²	96	97.4 Å²	97.4	59%	0.589	54%	0.542	S	S	*	.			trans	-141.9	121.4	167.5	-12.5	0	0	0	0	108.5	G246	T244-G246 PolarHBondContact O-N 3.35Å
245	L	24.7	Very low	27.6	Very low	153 Å²	153	97.7 Å²	97.7	80%	0.801	54%	0.535	S	S	*	.			trans	-89.2	99.4	178.5	-116	143.7	0	0	0	108.5
246	G	25.3	Very low	27.9	Very low	43 Å²	43	90.9 Å²	90.9	44%	0.443	52%	0.516	S	S	.	.	B	Isolated β-bridge	trans	-107	139.1	165.9	0	0	0	0	0	108.9	T244 S248 E249	T244-G246 PolarHBondContact O-N 3.35Å; G246-S248 PolarHBondContact O-N 2.9Å; G246-S248 VanDerWaalsContact O-N 3.1Å; G246-E249 PolarHBondContact O-N 3.08Å
247	N	25.5	Very low	28.6	Very low	165 Å²	165	83 Å²	83	88%	0.882	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	120	-174.5	-71.3	-26.4	0	0	0	111.3
248	S	31.6	Very low	28.8	Very low	85 Å²	85	80.5 Å²	80.5	59%	0.594	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	-7.7	176.6	74.5	0	0	0	0	119.6	G246	G246-S248 PolarHBondContact O-N 2.9Å; G246-S248 VanDerWaalsContact O-N 3.1Å
249	E	30.6	Very low	29.1	Very low	96 Å²	96	78.3 Å²	78.3	45%	0.449	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	125.9	-177.7	-53	-164.9	155.9	0	0	113.5	G246 V282 Q284	G246-E249 PolarHBondContact O-N 3.08Å; E249-V282 HydrophobicContact CB-CG1 4.48Å; E249-Q284 HydrophobicContact CG-CG 4.19Å; E249-Q284 PolarHBondContact OE1-NE2 3.45Å
250	F	31.9	Very low	29.3	Very low	35 Å²	35	79.2 Å²	79.2	15%	0.154	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.2	171.9	169.3	-85.7	0	0	0	109	W243 L252 V282 L283 L343	W243-F250 HydrophobicContact CE3-CD2 4.2Å; W243-F250 AromaticContact CE3-CE2 3.6Å; W243-F250 HydrophobicContact CE3-CE2 3.6Å; W243-F250 AromaticContact CE3-CZ 3.84Å; W243-F250 HydrophobicContact CE3-CZ 3.84Å; W243-F250 AromaticContact CH2-CE1 3.94Å; W243-F250 HydrophobicContact CH2-CE1 3.94Å; W243-F250 AromaticContact CH2-CE2 3.91Å; W243-F250 HydrophobicContact CH2-CE2 3.91Å; W243-F250 AromaticContact CH2-CZ 3.3Å; W243-F250 HydrophobicContact CH2-CZ 3.3Å; W243-F250 HydrophobicContact CZ3-CD1 4.21Å; W243-F250 AromaticContact CZ3-CD2 3.98Å; W243-F250 HydrophobicContact CZ3-CD2 3.98Å; W243-F250 AromaticContact CZ3-CE1 3.47Å; W243-F250 HydrophobicContact CZ3-CE1 3.47Å; W243-F250 VanDerWaalsContact CZ3-CE1 3.47Å; W243-F250 AromaticContact CZ3-CE2 3.18Å; W243-F250 HydrophobicContact CZ3-CE2 3.18Å; W243-F250 HydrophobicContact CZ3-CG 4.46Å; W243-F250 AromaticContact CZ3-CZ 2.91Å; W243-F250 HydrophobicContact CZ3-CZ 2.91Å; F250-L252 HydrophobicContact CE1-CB 4.44Å; F250-V282 CarbonylContact O-C 3.52Å; F250-V282 WeakPolarHBondContact O-CA 3.32Å; F250-L283 HydrophobicContact CB-CB 4.13Å; F250-L283 HydrophobicContact CD1-CB 4.17Å; F250-L283 HydrophobicContact CD1-CD1 3.61Å; F250-L283 HydrophobicContact CD1-CG 3.94Å; F250-L283 HydrophobicContact CE1-CD1 3.86Å; F250-L283 HydrophobicContact CG-CD1 4.34Å; F250-L283 PolarHBondContact N-O 3.46Å; F250-L283 PolarHBondContact O-N 3.44Å; F250-L343 HydrophobicContact CE1-CD2 3.88Å; F250-L343 HydrophobicContact CZ-CD2 3.87Å
251	T	34.5	Very low	29.4	Very low	38 Å²	38	77.1 Å²	77.1	23%	0.233	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.4	-178.5	-73.5	0	0	0	0	111	K280 I281	T251-K280 HydrophobicContact CG2-CD 3.71Å; T251-K280 HydrophobicContact CG2-CG 3.63Å; T251-K280 WeakPolarHBondContact OG1-CE 3.23Å; T251-I281 CarbonylContact C-O 3.57Å; T251-I281 WeakPolarHBondContact CA-O 3.5Å
252	L	37.3	Very low	29.4	Very low	4 Å²	4	80 Å²	80	2%	0.021	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	115.3	168.5	170.2	66.9	0	0	0	109.4	M214 S241 W243 F250 K280 I281 L343	M214-L252 HydrophobicContact CE-CD2 4.19Å; S241-L252 WeakPolarHBondContact OG-CD1 3.38Å; W243-L252 HydrophobicContact CH2-CB 3.79Å; W243-L252 HydrophobicContact CH2-CD1 3.45Å; W243-L252 VanDerWaalsContact CH2-CD1 3.45Å; W243-L252 HydrophobicContact CH2-CD2 4.45Å; W243-L252 HydrophobicContact CH2-CG 4.07Å; W243-L252 HydrophobicContact CZ2-CD1 3.64Å; W243-L252 HydrophobicContact CZ3-CB 3.86Å; W243-L252 HydrophobicContact CZ3-CD1 4.18Å; F250-L252 HydrophobicContact CE1-CB 4.44Å; L252-K280 CarbonylContact O-C 3.59Å; L252-K280 WeakPolarHBondContact O-CA 3.49Å; L252-I281 HydrophobicContact CB-CB 4.31Å; L252-I281 HydrophobicContact CD2-CD1 4.23Å; L252-I281 PolarHBondContact N-O 2.87Å; L252-I281 PolarHBondContact O-N 3.25Å; L252-L343 HydrophobicContact CD2-CD2 4.29Å
253	A	35	Very low	29.3	Very low	44 Å²	44	83.1 Å²	83.1	36%	0.364	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	134	174	0	0	0	0	0	111.6	S241 M279	S241-A253 WeakPolarHBondContact CB-O 3.35Å; A253-M279 CarbonylContact C-O 3.54Å; A253-M279 VanDerWaalsContact CA-O 3.29Å; A253-M279 WeakPolarHBondContact CA-O 3.43Å
254	M	36.5	Very low	29.1	Very low	44 Å²	44	85.2 Å²	85.2	22%	0.217	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.9	173.8	-66.4	-177.9	67.8	0	0	109.6	M214 T278 M279	M214-M254 HydrophobicContact CE-SD 4.23Å; M214-M254 HydrophobicContact SD-CE 4.47Å; M214-M254 HydrophobicContact SD-SD 3.65Å; M214-M254 VanDerWaalsContact SD-SD 3.65Å; M254-T278 CarbonylContact O-C 3.57Å; M254-T278 VanDerWaalsContact O-CA 3.23Å; M254-T278 WeakPolarHBondContact O-CA 3.17Å; M254-M279 PolarHBondContact N-O 3.07Å; M254-M279 PolarHBondContact O-N 2.99Å; M254-M279 HydrophobicContact SD-CE 3.91Å
255	D	33.1	Very low	29.1	Very low	113 Å²	113	84.6 Å²	84.6	60%	0.604	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.3	175.2	-63.6	-33	0	0	0	110.5	T278	D255-T278 HydrophobicContact CB-CG2 4.32Å; D255-T278 WeakPolarHBondContact OD1-CB 3.29Å; D255-T278 WeakPolarHBondContact OD1-CG2 3.17Å
256	N	29	Very low	29.2	Very low	96 Å²	96	82.4 Å²	82.4	51%	0.513	47%	0.47	S	S	.	.			trans	61.8	51.3	172.3	-53.3	-41.5	0	0	0	115	N276 H277	N256-N276 PolarHBondContact OD1-OD1 3.33Å; N256-H277 PolarHBondContact N-O 3.2Å
257	Y	35.5	Very low	29.2	Very low	29 Å²	29	83.9 Å²	83.9	11%	0.114	49%	0.485	C	S	.	.			trans	-82.8	144.9	167.3	77.3	-96.9	0	0	0	111.2	I216 E259 H277 M279 H296	I216-Y257 HydrophobicContact CD1-CD2 4.07Å; I216-Y257 HydrophobicContact CD1-CE2 3.5Å; I216-Y257 VanDerWaalsContact CD1-CE2 3.5Å; Y257-E259 HydrophobicContact CE2-CB 4.11Å; Y257-H277 HydrophobicContact CD1-CB 3.68Å; Y257-H277 HydrophobicContact CE1-CB 3.24Å; Y257-H277 HydrophobicContact CE2-CB 4.14Å; Y257-H277 HydrophobicContact CG-CB 4.31Å; Y257-H277 VanDerWaalsContact CZ-CB 3.48Å; Y257-H277 AromaticContact CZ-CG 3.81Å; Y257-M279 HydrophobicContact CE1-CB 4.32Å; Y257-H296 AromaticContact CZ-NE2 3.96Å; Y257-H296 PolarHBondContact OH-NE2 3.47Å
258	I	26.5	Very low	29.2	Very low	122 Å²	122	83.5 Å²	83.5	63%	0.626	48%	0.48	S	S	*	.			trans	-90.6	114	178.1	-59	173.2	0	0	0	108.3	F274	I258-F274 HydrophobicContact CD1-CE1 4.09Å; I258-F274 HydrophobicContact CG1-CE1 4.42Å
259	E	28.4	Very low	28.8	Very low	52 Å²	52	87.9 Å²	87.9	24%	0.243	50%	0.496	C	S	.	.			trans	-87.9	104.2	165.4	-164.9	171.5	-176.5	0	0	107.8	Y257 S261 H277 S337	Y257-E259 HydrophobicContact CE2-CB 4.11Å; E259-S261 PolarHBondContact O-N 3.48Å; E259-H277 IonicContact OE2-CE1 3.89Å; E259-S337 PolarHBondContact OE1-OG 2.71Å
260	E	26.4	Very low	28.5	Very low	118 Å²	118	89.4 Å²	89.4	55%	0.551	51%	0.507	S	S	*	.			trans	-79	68.8	177	-156.7	178.9	-146.7	0	0	109.4	S262	E260-S262 PolarHBondContact O-N 3.46Å
261	S	26.6	Very low	28.1	Very low	59 Å²	59	94.6 Å²	94.6	41%	0.413	54%	0.536	S	S	.	.			trans	-77.1	99.2	170.5	64.9	0	0	0	0	108.3	E259 W263	E259-S261 PolarHBondContact O-N 3.48Å; S261-W263 VanDerWaalsContact O-CD1 3.31Å; S261-W263 PolarHBondContact O-N 2.96Å; S261-W263 VanDerWaalsContact O-N 3.15Å
262	S	23.5	Very low	27.6	Very low	94 Å²	94	97.5 Å²	97.5	66%	0.657	56%	0.557	S	S	*	*			trans	-72.7	104.1	175.9	30.4	0	0	0	0	109.7	E260 I264	E260-S262 PolarHBondContact O-N 3.46Å; S262-I264 PolarHBondContact O-N 3.42Å
263	W	22.9	Very low	27.1	Very low	172 Å²	172	101.8 Å²	101.8	65%	0.652	58%	0.579	S	S	*	*			trans	-70	90.1	172.1	-73	70.9	0	0	0	109	S261 S265	S261-W263 VanDerWaalsContact O-CD1 3.31Å; S261-W263 PolarHBondContact O-N 2.96Å; S261-W263 VanDerWaalsContact O-N 3.15Å; W263-S265 PolarHBondContact O-N 2.94Å
264	I	22.9	Very low	26.7	Very low	132 Å²	132	107.2 Å²	107.2	68%	0.677	60%	0.595	S	S	*	*			trans	-80.2	68.6	168.8	-50.2	176.8	0	0	0	108	I224 S262	I224-I264 HydrophobicContact CG2-CD1 4.49Å; S262-I264 PolarHBondContact O-N 3.42Å
265	S	24.3	Very low	26.6	Very low	82 Å²	82	107 Å²	107	57%	0.573	60%	0.596	S	S	*	*			trans	-96.6	104.4	161.5	60.9	0	0	0	0	108.2	W263 G267	W263-S265 PolarHBondContact O-N 2.94Å; S265-G267 PolarHBondContact O-N 2.98Å
266	A	26.6	Very low	26.8	Very low	107 Å²	107	106.2 Å²	106.2	88%	0.884	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	38.8	67.6	161.6	0	0	0	0	0	116.5
267	G	25.3	Very low	27.5	Very low	75 Å²	75	101.9 Å²	101.9	77%	0.773	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	91.5	2.6	145.4	0	0	0	0	0	119.8	S265	S265-G267 PolarHBondContact O-N 2.98Å
268	M	24.2	Very low	28	Very low	157 Å²	157	102.8 Å²	102.8	77%	0.773	58%	0.577	S	S	*	*			trans	-138	122.1	168.8	-66.4	-156.7	-74.5	0	0	112.5	D270	M268-D270 PolarHBondContact O-N 3.09Å
269	L	23.8	Very low	28.9	Very low	176 Å²	176	97.3 Å²	97.3	92%	0.921	55%	0.549	S	S	*	.			trans	-88.7	80.7	-179.7	-98.8	148.5	0	0	0	108.9
270	D	24.4	Very low	29.9	Very low	129 Å²	129	99 Å²	99	69%	0.69	56%	0.556	S	S	*	*			trans	-127	-6.8	-174.5	-82	-39.8	0	0	0	118.4	M268	M268-D270 PolarHBondContact O-N 3.09Å
271	D	22.6	Very low	30.7	Very low	143 Å²	143	93.4 Å²	93.4	77%	0.765	53%	0.529	S	S	*	.			trans	-143.7	98.2	176.9	-81.5	-46.8	0	0	0	114.1	I273	D271-I273 PolarHBondContact O-N 2.88Å; D271-I273 VanDerWaalsContact O-N 3.13Å
272	C	25.4	Very low	31.8	Very low	100 Å²	100	90.9 Å²	90.9	68%	0.676	51%	0.512	S	S	*	.			trans	-67.6	102.5	158.4	-84.2	0	0	0	0	108.7	F274	C272-F274 PolarHBondContact O-N 3.16Å
273	I	25.8	Very low	32.8	Very low	93 Å²	93	87.1 Å²	87.1	48%	0.477	48%	0.484	S	S	.	.			trans	-75.3	96.6	175.2	-51.8	178	0	0	0	108.5	D271 T275	D271-I273 PolarHBondContact O-N 2.88Å; D271-I273 VanDerWaalsContact O-N 3.13Å; I273-T275 HydrophobicContact CG2-CG2 3.97Å; I273-T275 PolarHBondContact O-N 2.95Å
274	F	27.9	Very low	34	Very low	158 Å²	158	81.1 Å²	81.1	69%	0.693	46%	0.463	S	S	*	.			trans	-62	108.1	167.3	-72.2	-89.8	0	0	0	109.1	I258 C272	I258-F274 HydrophobicContact CD1-CE1 4.09Å; I258-F274 HydrophobicContact CG1-CE1 4.42Å; C272-F274 PolarHBondContact O-N 3.16Å
275	T	33.8	Very low	34.9	Very low	40 Å²	40	81 Å²	81	25%	0.245	45%	0.454	C	S	.	.			trans	-109.2	128.7	171.3	38.3	0	0	0	0	107.8	I273 H277 A299	I273-T275 HydrophobicContact CG2-CG2 3.97Å; I273-T275 PolarHBondContact O-N 2.95Å; T275-H277 PolarHBondContact O-N 3.43Å; T275-H277 VanDerWaalsContact O-N 3.15Å; T275-H277 PolarHBondContact O-ND1 2.8Å; T275-H277 VanDerWaalsContact O-ND1 3.16Å; T275-H277 PolarHBondContact OG1-CE1 2.84Å; T275-H277 PolarHBondContact OG1-ND1 3.43Å; T275-A299 WeakPolarHBondContact CA-O 3.13Å; T275-A299 WeakPolarHBondContact CB-O 3.4Å
276	N	38	Very low	35.7	Very low	97 Å²	97	82.3 Å²	82.3	52%	0.519	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	108.2	178.7	-84.4	-4.9	0	0	0	107.7	N256 A299	N256-N276 PolarHBondContact OD1-OD1 3.33Å; N276-A299 HydrophobicContact CB-CB 4.34Å; N276-A299 PolarHBondContact N-O 3.4Å; N276-A299 PolarHBondContact O-N 3.4Å
277	H	42.8	Very low	36.5	Very low	5 Å²	5	85.3 Å²	85.3	2%	0.023	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.6	174.1	-67.6	101.5	0	0	0	110.6	N256 Y257 E259 T275 H296 T297 C298	N256-H277 PolarHBondContact N-O 3.2Å; Y257-H277 HydrophobicContact CD1-CB 3.68Å; Y257-H277 HydrophobicContact CE1-CB 3.24Å; Y257-H277 HydrophobicContact CE2-CB 4.14Å; Y257-H277 HydrophobicContact CG-CB 4.31Å; Y257-H277 VanDerWaalsContact CZ-CB 3.48Å; Y257-H277 AromaticContact CZ-CG 3.81Å; E259-H277 IonicContact OE2-CE1 3.89Å; T275-H277 PolarHBondContact O-N 3.43Å; T275-H277 VanDerWaalsContact O-N 3.15Å; T275-H277 PolarHBondContact O-ND1 2.8Å; T275-H277 VanDerWaalsContact O-ND1 3.16Å; T275-H277 PolarHBondContact OG1-CE1 2.84Å; T275-H277 PolarHBondContact OG1-ND1 3.43Å; H277-H296 AromaticContact CD2-CE1 3.42Å; H277-H296 PolarHBondContact CD2-CE1 3.47Å; H277-H296 VanDerWaalsContact CD2-CE1 3.42Å; H277-H296 AromaticContact CD2-NE2 3.2Å; H277-H296 PolarHBondContact CD2-NE2 2.76Å; H277-H296 AromaticContact CG-NE2 3.88Å; H277-T297 CarbonylContact C-O 3.42Å; H277-T297 WeakPolarHBondContact CA-O 3.21Å; H277-C298 WeakPolarHBondContact CD2-CB 3.43Å; H277-C298 WeakPolarHBondContact NE2-CB 3.42Å
278	T	45.3	Very low	37.3	Very low	48 Å²	48	88 Å²	88	29%	0.294	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.5	165.6	67.1	0	0	0	0	109.8	M254 D255 H296 T297	M254-T278 CarbonylContact O-C 3.57Å; M254-T278 VanDerWaalsContact O-CA 3.23Å; M254-T278 WeakPolarHBondContact O-CA 3.17Å; D255-T278 HydrophobicContact CB-CG2 4.32Å; D255-T278 WeakPolarHBondContact OD1-CB 3.29Å; D255-T278 WeakPolarHBondContact OD1-CG2 3.17Å; T278-H296 WeakPolarHBondContact O-CA 3.47Å; T278-T297 PolarHBondContact N-O 3.49Å; T278-T297 PolarHBondContact O-N 2.83Å; T278-T297 WeakPolarHBondContact OG1-CB 3.44Å
279	M	46.6	Very low	38	Very low	7 Å²	7	87.7 Å²	87.7	3%	0.034	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.9	-179.1	-178.5	174.4	57.5	0	0	109.8	M214 A253 M254 Y257 I281 V294 H295 L330 L339	M214-M279 HydrophobicContact CE-CE 3.54Å; M214-M279 HydrophobicContact SD-CE 4.43Å; A253-M279 CarbonylContact C-O 3.54Å; A253-M279 VanDerWaalsContact CA-O 3.29Å; A253-M279 WeakPolarHBondContact CA-O 3.43Å; M254-M279 PolarHBondContact N-O 3.07Å; M254-M279 PolarHBondContact O-N 2.99Å; M254-M279 HydrophobicContact SD-CE 3.91Å; Y257-M279 HydrophobicContact CE1-CB 4.32Å; M279-I281 HydrophobicContact CE-CD1 4.45Å; M279-I281 HydrophobicContact CG-CG1 4.33Å; M279-I281 HydrophobicContact SD-CD1 4.46Å; M279-I281 HydrophobicContact SD-CG1 4.41Å; M279-V294 HydrophobicContact CG-CG1 3.9Å; M279-V294 HydrophobicContact SD-CG1 4.08Å; M279-H295 CarbonylContact C-O 3.59Å; M279-H295 WeakPolarHBondContact CA-O 3.41Å; M279-L330 HydrophobicContact SD-CD2 4.48Å; M279-L339 HydrophobicContact CE-CD1 4.43Å; M279-L339 HydrophobicContact CE-CD2 4.24Å; M279-L339 HydrophobicContact SD-CD1 4.4Å; M279-L339 HydrophobicContact SD-CD2 3.49Å; M279-L339 WeakPolarHBondContact SD-CD2 3.4Å
280	K	48.1	Very low	39.1	Very low	87 Å²	87	81.6 Å²	81.6	38%	0.378	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	112.8	174.9	-177.1	177.9	156	162.9	0	110.2	T251 L252 V282 V294 H295	T251-K280 HydrophobicContact CG2-CD 3.71Å; T251-K280 HydrophobicContact CG2-CG 3.63Å; T251-K280 WeakPolarHBondContact OG1-CE 3.23Å; L252-K280 CarbonylContact O-C 3.59Å; L252-K280 WeakPolarHBondContact O-CA 3.49Å; K280-V282 HydrophobicContact CD-CG2 4.31Å; K280-V282 HydrophobicContact CG-CG2 4.12Å; K280-V294 CarbonylContact O-C 3.58Å; K280-V294 WeakPolarHBondContact O-CA 3.24Å; K280-H295 HydrophobicContact CB-CB 4.27Å; K280-H295 PolarHBondContact N-O 3.47Å; K280-H295 PolarHBondContact O-N 3.5Å
281	I	44	Very low	40.1	Very low	0 Å²	0	78.6 Å²	78.6	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	120.5	173.7	-54.1	-177.2	0	0	0	108.5	M214 T251 L252 M279 V292 V294 L339	M214-I281 HydrophobicContact CE-CD1 3.81Å; T251-I281 CarbonylContact C-O 3.57Å; T251-I281 WeakPolarHBondContact CA-O 3.5Å; L252-I281 HydrophobicContact CB-CB 4.31Å; L252-I281 HydrophobicContact CD2-CD1 4.23Å; L252-I281 PolarHBondContact N-O 2.87Å; L252-I281 PolarHBondContact O-N 3.25Å; M279-I281 HydrophobicContact CE-CD1 4.45Å; M279-I281 HydrophobicContact CG-CG1 4.33Å; M279-I281 HydrophobicContact SD-CD1 4.46Å; M279-I281 HydrophobicContact SD-CG1 4.41Å; I281-V292 HydrophobicContact CG2-CG1 3.69Å; I281-V294 HydrophobicContact CB-CG2 4.49Å; I281-V294 HydrophobicContact CG1-CG1 4.16Å; I281-V294 HydrophobicContact CG1-CG2 4.08Å; I281-V294 HydrophobicContact CG2-CG2 4.2Å; I281-L339 HydrophobicContact CD1-CD2 4.05Å
282	V	48.9	Very low	41.5	Very low	7 Å²	7	71.8 Å²	71.8	4%	0.042	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	116.8	175.6	-169.6	0	0	0	0	109.2	E249 F250 K280 Q284 V292 K293	E249-V282 HydrophobicContact CB-CG1 4.48Å; F250-V282 CarbonylContact O-C 3.52Å; F250-V282 WeakPolarHBondContact O-CA 3.32Å; K280-V282 HydrophobicContact CD-CG2 4.31Å; K280-V282 HydrophobicContact CG-CG2 4.12Å; V282-Q284 HydrophobicContact CG1-CG 3.96Å; V282-V292 WeakPolarHBondContact O-CA 3.26Å; V282-K293 HydrophobicContact CB-CB 4.47Å; V282-K293 PolarHBondContact N-O 3.5Å; V282-K293 PolarHBondContact O-N 2.83Å
283	L	45.6	Very low	42.7	Very low	14 Å²	14	70.7 Å²	70.7	7%	0.073	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	119.9	168.5	-59.4	169.6	0	0	0	108.5	F250 T291 V292 A313 C324 V326 L343	F250-L283 HydrophobicContact CB-CB 4.13Å; F250-L283 HydrophobicContact CD1-CB 4.17Å; F250-L283 HydrophobicContact CD1-CD1 3.61Å; F250-L283 HydrophobicContact CD1-CG 3.94Å; F250-L283 HydrophobicContact CE1-CD1 3.86Å; F250-L283 HydrophobicContact CG-CD1 4.34Å; F250-L283 PolarHBondContact N-O 3.46Å; F250-L283 PolarHBondContact O-N 3.44Å; L283-T291 WeakPolarHBondContact CA-O 3.12Å; L283-V292 HydrophobicContact CD2-CB 4.08Å; L283-V292 HydrophobicContact CD2-CG1 3.85Å; L283-V292 HydrophobicContact CD2-CG2 3.51Å; L283-A313 HydrophobicContact CD2-CB 4.21Å; L283-C324 HydrophobicContact CD1-CB 4.35Å; L283-V326 HydrophobicContact CD2-CG2 4.03Å; L283-L343 HydrophobicContact CD1-CD1 4.38Å
284	Q	47.8	Very low	43.9	Very low	47 Å²	47	66.2 Å²	66.2	22%	0.22	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.5	176.2	-66.6	-179.2	-41.8	0	0	109.1	E249 V282 T291	E249-Q284 HydrophobicContact CG-CG 4.19Å; E249-Q284 PolarHBondContact OE1-NE2 3.45Å; V282-Q284 HydrophobicContact CG1-CG 3.96Å; Q284-T291 PolarHBondContact N-O 2.69Å; Q284-T291 PolarHBondContact O-N 3.27Å; Q284-T291 PolarHBondContact O-OG1 3.11Å
285	R	42	Very low	44.9	Very low	129 Å²	129	61.6 Å²	61.6	49%	0.487	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	122	175.4	-177.7	-178.5	174.1	179.5	0.8	109.6	D288 E289 Y290	R285-D288 IonicContact NH2-OD1 2.89Å; R285-E289 WeakPolarHBondContact CA-O 3.19Å; R285-Y290 HydrophobicContact CB-CD1 4.28Å; R285-Y290 HydrophobicContact CB-CE1 4.1Å; R285-Y290 HydrophobicContact CG-CE1 4.31Å
286	D	41.5	Very low	45.8	Very low	109 Å²	109	59.9 Å²	59.9	58%	0.583	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.7	173.3	-173.3	15.6	0	0	0	110.3	D288 E289	D286-D288 PolarHBondContact O-N 3.01Å; D286-E289 PolarHBondContact N-O 3.22Å; D286-E289 PolarHBondContact O-N 3.35Å
287	Q	42.4	Very low	46.3	Very low	171 Å²	171	56.6 Å²	56.6	80%	0.799	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	-64.7	-176	-65.3	175.5	16.7	0	0	114.8
288	D	42.2	Very low	46.7	Very low	131 Å²	131	56.5 Å²	56.5	70%	0.701	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.6	4.4	171.9	-75.2	-49.9	0	0	0	114.2	R285 D286	R285-D288 IonicContact NH2-OD1 2.89Å; D286-D288 PolarHBondContact O-N 3.01Å
289	E	39.6	Very low	46.6	Very low	151 Å²	151	55.7 Å²	55.7	71%	0.706	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	141	-179.8	-65.8	-170.4	171.3	0	0	111.8	R285 D286	R285-E289 WeakPolarHBondContact CA-O 3.19Å; D286-E289 PolarHBondContact N-O 3.22Å; D286-E289 PolarHBondContact O-N 3.35Å
290	Y	46.1	Very low	46.5	Very low	47 Å²	47	56.6 Å²	56.6	18%	0.184	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	117.4	175.3	-72.7	-90.8	0	0	0	110.1	R285 C315 H317	R285-Y290 HydrophobicContact CB-CD1 4.28Å; R285-Y290 HydrophobicContact CB-CE1 4.1Å; R285-Y290 HydrophobicContact CG-CE1 4.31Å; Y290-C315 HydrophobicContact CD1-CB 4.38Å; Y290-C315 HydrophobicContact CD2-CB 3.47Å; Y290-C315 VanDerWaalsContact CD2-CB 3.47Å; Y290-C315 HydrophobicContact CE2-CB 3.88Å; Y290-C315 HydrophobicContact CG-CB 3.75Å; Y290-C315 VanDerWaalsContact CG-SG 3.53Å; Y290-H317 AromaticContact CE2-NE2 3.51Å; Y290-H317 AromaticContact CZ-NE2 3.81Å; Y290-H317 PolarHBondContact OH-CE1 2.95Å; Y290-H317 PolarHBondContact OH-NE2 3.49Å
291	T	46.7	Very low	46	Very low	66 Å²	66	62.4 Å²	62.4	41%	0.405	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	143.5	173.4	56.3	0	0	0	0	110.4	L283 Q284	L283-T291 WeakPolarHBondContact CA-O 3.12Å; Q284-T291 PolarHBondContact N-O 2.69Å; Q284-T291 PolarHBondContact O-N 3.27Å; Q284-T291 PolarHBondContact O-OG1 3.11Å
292	V	50.4	Low	46	Very low	1 Å²	1	66.3 Å²	66.3	1%	0.006	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.6	-179.8	-163	0	0	0	0	110.3	I281 V282 L283 V294 G311 A313 V326	I281-V292 HydrophobicContact CG2-CG1 3.69Å; V282-V292 WeakPolarHBondContact O-CA 3.26Å; L283-V292 HydrophobicContact CD2-CB 4.08Å; L283-V292 HydrophobicContact CD2-CG1 3.85Å; L283-V292 HydrophobicContact CD2-CG2 3.51Å; V292-V294 HydrophobicContact CG1-CG2 3.93Å; V292-G311 PolarHBondContact O-N 2.66Å; V292-G311 VanDerWaalsContact O-N 3.12Å; V292-A313 HydrophobicContact CG2-CB 3.06Å; V292-A313 VanDerWaalsContact CG2-N 3.31Å; V292-V326 HydrophobicContact CB-CG1 4.38Å; V292-V326 HydrophobicContact CG1-CG1 3.6Å; V292-V326 HydrophobicContact CG1-CG2 4.27Å; V292-V326 HydrophobicContact CG2-CG1 4.29Å; V292-V326 HydrophobicContact CG2-CG2 4.22Å
293	K	51.2	Low	45.7	Very low	76 Å²	76	71.9 Å²	71.9	33%	0.33	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126	165.8	-64.1	178.3	-177.2	164.9	0	109	V282	V282-K293 HydrophobicContact CB-CB 4.47Å; V282-K293 PolarHBondContact N-O 3.5Å; V282-K293 PolarHBondContact O-N 2.83Å
294	V	50.3	Low	45.7	Very low	0 Å²	0	75.4 Å²	75.4	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	108	176.5	-177.1	0	0	0	0	108	M279 K280 I281 V292 S309 A328 L330 L339	M279-V294 HydrophobicContact CG-CG1 3.9Å; M279-V294 HydrophobicContact SD-CG1 4.08Å; K280-V294 CarbonylContact O-C 3.58Å; K280-V294 WeakPolarHBondContact O-CA 3.24Å; I281-V294 HydrophobicContact CB-CG2 4.49Å; I281-V294 HydrophobicContact CG1-CG1 4.16Å; I281-V294 HydrophobicContact CG1-CG2 4.08Å; I281-V294 HydrophobicContact CG2-CG2 4.2Å; V292-V294 HydrophobicContact CG1-CG2 3.93Å; V294-S309 PolarHBondContact N-O 3.36Å; V294-S309 PolarHBondContact O-N 3.23Å; V294-S309 PolarHBondContact O-OG 3.26Å; V294-A328 HydrophobicContact CB-CB 4.18Å; V294-A328 HydrophobicContact CG2-CB 3.68Å; V294-L330 HydrophobicContact CG1-CD2 4.01Å; V294-L339 HydrophobicContact CG1-CD2 4.49Å
295	H	48.9	Very low	45.5	Very low	60 Å²	60	76.5 Å²	76.5	28%	0.278	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	126.3	172.7	-49.6	-82.9	0	0	0	108.6	M279 K280 E308	M279-H295 CarbonylContact C-O 3.59Å; M279-H295 WeakPolarHBondContact CA-O 3.41Å; K280-H295 HydrophobicContact CB-CB 4.27Å; K280-H295 PolarHBondContact N-O 3.47Å; K280-H295 PolarHBondContact O-N 3.5Å; H295-E308 IonicContact CE1-OE1 3.47Å; H295-E308 PolarHBondContact CE1-OE1 3.35Å; H295-E308 IonicContact CE1-OE2 3.27Å; H295-E308 PolarHBondContact CE1-OE2 3.04Å; H295-E308 VanDerWaalsContact CE1-OE2 3.27Å; H295-E308 IonicContact ND1-OE1 3.97Å; H295-E308 IonicContact ND1-OE2 3.25Å; H295-E308 PolarHBondContact ND1-OE2 3.06Å
296	H	53.2	Low	46	Very low	4 Å²	4	80.5 Å²	80.5	2%	0.019	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130.4	-176.4	177.5	-110.9	0	0	0	110	Y257 H277 T278 S307 L330	Y257-H296 AromaticContact CZ-NE2 3.96Å; Y257-H296 PolarHBondContact OH-NE2 3.47Å; H277-H296 AromaticContact CD2-CE1 3.42Å; H277-H296 PolarHBondContact CD2-CE1 3.47Å; H277-H296 VanDerWaalsContact CD2-CE1 3.42Å; H277-H296 AromaticContact CD2-NE2 3.2Å; H277-H296 PolarHBondContact CD2-NE2 2.76Å; H277-H296 AromaticContact CG-NE2 3.88Å; T278-H296 WeakPolarHBondContact O-CA 3.47Å; H296-S307 PolarHBondContact N-O 2.78Å; H296-S307 PolarHBondContact O-N 3.26Å; H296-L330 HydrophobicContact CB-CD2 4.13Å
297	T	49	Very low	46.5	Very low	29 Å²	29	77.1 Å²	77.1	18%	0.178	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.6	176.3	-51.4	0	0	0	0	109.2	H277 T278 T304 F305 R306	H277-T297 CarbonylContact C-O 3.42Å; H277-T297 WeakPolarHBondContact CA-O 3.21Å; T278-T297 PolarHBondContact N-O 3.49Å; T278-T297 PolarHBondContact O-N 2.83Å; T278-T297 WeakPolarHBondContact OG1-CB 3.44Å; T297-T304 HydrophobicContact CG2-CG2 3.29Å; T297-F305 CarbonylContact C-O 3.55Å; T297-F305 WeakPolarHBondContact CA-O 3.4Å; T297-R306 HydrophobicContact CG2-CG 3.67Å
298	C	50.9	Low	46.7	Very low	3 Å²	3	74.2 Å²	74.2	2%	0.02	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.4	172.5	55.6	0	0	0	0	110.1	H277 F305 C332	H277-C298 WeakPolarHBondContact CD2-CB 3.43Å; H277-C298 WeakPolarHBondContact NE2-CB 3.42Å; C298-F305 PolarHBondContact N-O 2.8Å; C298-F305 PolarHBondContact O-N 2.72Å; C298-C332 HydrophobicContact CB-CB 4Å; C298-C332 WeakPolarHBondContact CB-SG 3.37Å; C298-C332 WeakPolarHBondContact SG-CB 3.22Å; C298-C332 CovalentContact SG-SG 2.02Å; C298-C332 PolarHBondContact SG-SG 3.17Å
299	A	44	Very low	46.9	Very low	31 Å²	31	68.6 Å²	68.6	26%	0.256	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.5	174.6	0	0	0	0	0	110.3	T275 N276 E303 T304	T275-A299 WeakPolarHBondContact CA-O 3.13Å; T275-A299 WeakPolarHBondContact CB-O 3.4Å; N276-A299 HydrophobicContact CB-CB 4.34Å; N276-A299 PolarHBondContact N-O 3.4Å; N276-A299 PolarHBondContact O-N 3.4Å; A299-E303 WeakPolarHBondContact CA-O 3.42Å; A299-T304 HydrophobicContact CB-CG2 4.44Å
300	G	43.8	Very low	47.2	Very low	26 Å²	26	67.2 Å²	67.2	27%	0.268	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136.3	177.2	0	0	0	0	0	111.2	G302 E303	G300-G302 PolarHBondContact O-N 3.44Å; G300-E303 PolarHBondContact N-O 3.3Å; G300-E303 PolarHBondContact O-N 2.78Å
301	K	37.3	Very low	47.3	Very low	209 Å²	209	65.5 Å²	65.5	91%	0.909	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	14.7	54.9	178.1	-72.6	-173.9	178.8	175.1	0	116.5
302	G	44.1	Very low	47.1	Very low	82 Å²	82	70.7 Å²	70.7	85%	0.845	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.6	-13.7	173.5	0	0	0	0	0	116.6	G300	G300-G302 PolarHBondContact O-N 3.44Å
303	E	42.7	Very low	46.7	Very low	123 Å²	123	71.6 Å²	71.6	58%	0.575	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.7	-179.1	-67.2	-177.6	168.2	0	0	111.5	A299 G300 F305	A299-E303 WeakPolarHBondContact CA-O 3.42Å; G300-E303 PolarHBondContact N-O 3.3Å; G300-E303 PolarHBondContact O-N 2.78Å; E303-F305 HydrophobicContact CB-CD2 4.38Å; E303-F305 HydrophobicContact CB-CE2 3.55Å; E303-F305 HydrophobicContact CB-CZ 4.07Å; E303-F305 VanDerWaalsContact OE2-CZ 3.22Å; E303-F305 WeakPolarHBondContact OE2-CZ 3.09Å
304	T	46.4	Very low	46.3	Very low	88 Å²	88	76 Å²	76	54%	0.54	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	115.1	177.9	-55.3	0	0	0	0	109.3	T297 A299	T297-T304 HydrophobicContact CG2-CG2 3.29Å; A299-T304 HydrophobicContact CB-CG2 4.44Å
305	F	43.5	Very low	45.8	Very low	71 Å²	71	77.5 Å²	77.5	31%	0.311	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	121.8	176.3	-62.4	-93.9	0	0	0	109	T297 C298 E303 Q333	T297-F305 CarbonylContact C-O 3.55Å; T297-F305 WeakPolarHBondContact CA-O 3.4Å; C298-F305 PolarHBondContact N-O 2.8Å; C298-F305 PolarHBondContact O-N 2.72Å; E303-F305 HydrophobicContact CB-CD2 4.38Å; E303-F305 HydrophobicContact CB-CE2 3.55Å; E303-F305 HydrophobicContact CB-CZ 4.07Å; E303-F305 VanDerWaalsContact OE2-CZ 3.22Å; E303-F305 WeakPolarHBondContact OE2-CZ 3.09Å; F305-Q333 HydrophobicContact CD1-CG 3.95Å; F305-Q333 HydrophobicContact CD2-CG 3.71Å; F305-Q333 HydrophobicContact CE1-CG 3.96Å; F305-Q333 HydrophobicContact CE2-CG 3.77Å; F305-Q333 HydrophobicContact CG-CG 3.83Å; F305-Q333 HydrophobicContact CZ-CG 3.88Å
306	R	51.6	Low	45.5	Very low	212 Å²	212	79.4 Å²	79.4	80%	0.8	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.2	175.2	-68.6	-177.7	178.7	172.6	1.9	109	T297	T297-R306 HydrophobicContact CG2-CG 3.67Å
307	S	52.1	Low	44.7	Very low	38 Å²	38	84.4 Å²	84.4	27%	0.266	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.4	177	-173.1	0	0	0	0	109.8	H296 I331	H296-S307 PolarHBondContact N-O 2.78Å; H296-S307 PolarHBondContact O-N 3.26Å; S307-I331 WeakPolarHBondContact CB-O 3.2Å; S307-I331 PolarHBondContact OG-O 3.28Å
308	E	47.6	Very low	44	Very low	110 Å²	110	85.8 Å²	85.8	51%	0.514	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.6	171.6	-178.1	173.1	161.6	0	0	108.4	H295	H295-E308 IonicContact CE1-OE1 3.47Å; H295-E308 PolarHBondContact CE1-OE1 3.35Å; H295-E308 IonicContact CE1-OE2 3.27Å; H295-E308 PolarHBondContact CE1-OE2 3.04Å; H295-E308 VanDerWaalsContact CE1-OE2 3.27Å; H295-E308 IonicContact ND1-OE1 3.97Å; H295-E308 IonicContact ND1-OE2 3.25Å; H295-E308 PolarHBondContact ND1-OE2 3.06Å
309	S	46.4	Very low	43	Very low	14 Å²	14	93.1 Å²	93.1	10%	0.098	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.7	177.7	64.2	0	0	0	0	110	V294 M329	V294-S309 PolarHBondContact N-O 3.36Å; V294-S309 PolarHBondContact O-N 3.23Å; V294-S309 PolarHBondContact O-OG 3.26Å; S309-M329 WeakPolarHBondContact CB-O 2.93Å; S309-M329 PolarHBondContact OG-O 2.77Å
310	V	46	Very low	42.1	Very low	122 Å²	122	100.6 Å²	100.6	74%	0.739	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	118.1	171.7	-177.2	0	0	0	0	107.8
311	G	48	Very low	41.6	Very low	10 Å²	10	99.7 Å²	99.7	10%	0.103	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	171.2	178.2	0	0	0	0	0	112.4	V292 T327	V292-G311 PolarHBondContact O-N 2.66Å; V292-G311 VanDerWaalsContact O-N 3.12Å; G311-T327 CarbonylContact C-O 3.51Å; G311-T327 VanDerWaalsContact CA-O 3.22Å; G311-T327 WeakPolarHBondContact CA-O 3.19Å
312	K	41.1	Very low	41.6	Very low	175 Å²	175	91.1 Å²	91.1	76%	0.761	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	126.4	165.9	-65.4	-176.7	-178.9	178.6	0	108.8	T327	K312-T327 PolarHBondContact N-O 2.88Å; K312-T327 PolarHBondContact O-N 3.05Å
313	A	42.8	Very low	41.5	Very low	21 Å²	21	88.2 Å²	88.2	17%	0.174	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.7	163.4	0	0	0	0	0	109.3	L283 V292 K325 V326	L283-A313 HydrophobicContact CD2-CB 4.21Å; V292-A313 HydrophobicContact CG2-CB 3.06Å; V292-A313 VanDerWaalsContact CG2-N 3.31Å; A313-K325 CarbonylContact C-O 3.46Å; A313-K325 VanDerWaalsContact CA-O 3.31Å; A313-K325 WeakPolarHBondContact CA-O 3.4Å; A313-V326 HydrophobicContact CB-CG2 4.38Å
314	K	42	Very low	41.3	Very low	169 Å²	169	82.7 Å²	82.7	74%	0.735	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	109.9	153.6	-72.4	-173.7	178.1	-176.9	0	107	W316 C324 K325	K314-W316 WeakPolarHBondContact O-CZ3 3.22Å; K314-C324 WeakPolarHBondContact O-CA 3.15Å; K314-K325 PolarHBondContact N-O 3.29Å; K314-K325 PolarHBondContact O-N 3.07Å
315	C	40.2	Very low	41.2	Very low	31 Å²	31	83.5 Å²	83.5	21%	0.209	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135.9	174.5	-64.2	0	0	0	0	109.4	Y290 N323 C324	Y290-C315 HydrophobicContact CD1-CB 4.38Å; Y290-C315 HydrophobicContact CD2-CB 3.47Å; Y290-C315 VanDerWaalsContact CD2-CB 3.47Å; Y290-C315 HydrophobicContact CE2-CB 3.88Å; Y290-C315 HydrophobicContact CG-CB 3.75Å; Y290-C315 VanDerWaalsContact CG-SG 3.53Å; C315-N323 CarbonylContact C-O 3.5Å; C315-N323 WeakPolarHBondContact CA-O 3.25Å; C315-C324 HydrophobicContact CB-CB 4.18Å; C315-C324 WeakPolarHBondContact CB-SG 3.32Å; C315-C324 WeakPolarHBondContact SG-CB 3.16Å; C315-C324 CovalentContact SG-SG 2.04Å; C315-C324 PolarHBondContact SG-SG 3.18Å
316	W	42.6	Very low	41.1	Very low	99 Å²	99	80.1 Å²	80.1	38%	0.375	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.6	172.4	63.6	101	0	0	0	110.2	K314 N323 K325	K314-W316 WeakPolarHBondContact O-CZ3 3.22Å; W316-N323 HydrophobicContact CD2-CB 3.71Å; W316-N323 HydrophobicContact CE3-CB 4.24Å; W316-N323 VanDerWaalsContact CE3-O 3.27Å; W316-N323 HydrophobicContact CG-CB 4.22Å; W316-N323 HydrophobicContact CH2-CB 3.97Å; W316-N323 HydrophobicContact CZ2-CB 3.43Å; W316-N323 VanDerWaalsContact CZ2-CB 3.43Å; W316-N323 HydrophobicContact CZ3-CB 4.34Å; W316-N323 PolarHBondContact N-O 2.83Å; W316-N323 PolarHBondContact NE1-ND2 3.33Å; W316-N323 VanDerWaalsContact NE1-ND2 3.19Å; W316-N323 PolarHBondContact O-N 3.31Å; W316-K325 HydrophobicContact CH2-CB 4.49Å; W316-K325 HydrophobicContact CZ3-CB 4.11Å
317	H	36.7	Very low	40.5	Very low	109 Å²	109	72.8 Å²	72.8	51%	0.505	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.4	177.7	-65.6	-88.6	0	0	0	109.3	Y290	Y290-H317 AromaticContact CE2-NE2 3.51Å; Y290-H317 AromaticContact CZ-NE2 3.81Å; Y290-H317 PolarHBondContact OH-CE1 2.95Å; Y290-H317 PolarHBondContact OH-NE2 3.49Å
318	S	33.7	Very low	40	Very low	59 Å²	59	71.1 Å²	71.1	41%	0.413	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	159.5	158.4	68.6	0	0	0	0	108.3	R320 A321	S318-R320 PolarHBondContact O-N 2.73Å; S318-A321 PolarHBondContact N-O 3.03Å; S318-A321 PolarHBondContact O-N 3.26Å; S318-A321 VanDerWaalsContact O-N 3.07Å; S318-A321 PolarHBondContact OG-N 3.09Å; S318-A321 PolarHBondContact OG-O 3.14Å; S318-A321 VanDerWaalsContact OG-O 3.14Å
319	N	30.4	Very low	39.5	Very low	157 Å²	157	70.3 Å²	70.3	84%	0.84	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-11.2	-179.2	-78	-10.3	0	0	0	115.6
320	R	26.1	Very low	39.4	Very low	188 Å²	188	69.9 Å²	69.9	71%	0.709	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.1	-2.7	-178.6	-61.1	-176.5	179.1	-178.5	-1.5	114.6	S318 F346 M347	S318-R320 PolarHBondContact O-N 2.73Å; R320-F346 CarbonylContact O-C 3.58Å; R320-F346 WeakPolarHBondContact O-CA 3.25Å; R320-M347 PolarHBondContact O-N 3.44Å
321	A	32.9	Very low	39.2	Very low	7 Å²	7	67.3 Å²	67.3	6%	0.058	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	145.4	-175.2	0	0	0	0	0	113.9	S318 E345 F346	S318-A321 PolarHBondContact N-O 3.03Å; S318-A321 PolarHBondContact O-N 3.26Å; S318-A321 VanDerWaalsContact O-N 3.07Å; S318-A321 PolarHBondContact OG-N 3.09Å; S318-A321 PolarHBondContact OG-O 3.14Å; S318-A321 VanDerWaalsContact OG-O 3.14Å; A321-E345 CarbonylContact C-O 3.58Å; A321-E345 WeakPolarHBondContact CA-O 3.25Å; A321-E345 WeakPolarHBondContact CB-O 3.43Å; A321-F346 HydrophobicContact CB-CD1 4.06Å; A321-F346 HydrophobicContact CB-CE1 4.29Å
322	I	37.6	Very low	39.1	Very low	28 Å²	28	68 Å²	68	14%	0.144	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	115.9	165.9	-50.9	-177.6	0	0	0	106.4	E345	I322-E345 PolarHBondContact N-O 2.96Å; I322-E345 PolarHBondContact O-N 3.02Å
323	N	40.9	Very low	39.6	Very low	22 Å²	22	65.1 Å²	65.1	12%	0.118	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.7	177.3	-64.3	-31.7	0	0	0	108.2	C315 W316 L343 I344	C315-N323 CarbonylContact C-O 3.5Å; C315-N323 WeakPolarHBondContact CA-O 3.25Å; W316-N323 HydrophobicContact CD2-CB 3.71Å; W316-N323 HydrophobicContact CE3-CB 4.24Å; W316-N323 VanDerWaalsContact CE3-O 3.27Å; W316-N323 HydrophobicContact CG-CB 4.22Å; W316-N323 HydrophobicContact CH2-CB 3.97Å; W316-N323 HydrophobicContact CZ2-CB 3.43Å; W316-N323 VanDerWaalsContact CZ2-CB 3.43Å; W316-N323 HydrophobicContact CZ3-CB 4.34Å; W316-N323 PolarHBondContact N-O 2.83Å; W316-N323 PolarHBondContact NE1-ND2 3.33Å; W316-N323 VanDerWaalsContact NE1-ND2 3.19Å; W316-N323 PolarHBondContact O-N 3.31Å; N323-L343 CarbonylContact C-O 3.57Å; N323-L343 WeakPolarHBondContact CA-O 3.44Å; N323-I344 WeakPolarHBondContact OD1-CG2 3.22Å
324	C	39.6	Very low	39.5	Very low	6 Å²	6	71.7 Å²	71.7	4%	0.041	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	122.6	-179.7	-68.7	0	0	0	0	110.2	L283 K314 C315 L343	L283-C324 HydrophobicContact CD1-CB 4.35Å; K314-C324 WeakPolarHBondContact O-CA 3.15Å; C315-C324 HydrophobicContact CB-CB 4.18Å; C315-C324 WeakPolarHBondContact CB-SG 3.32Å; C315-C324 WeakPolarHBondContact SG-CB 3.16Å; C315-C324 CovalentContact SG-SG 2.04Å; C315-C324 PolarHBondContact SG-SG 3.18Å; C324-L343 HydrophobicContact CB-CB 4.35Å; C324-L343 PolarHBondContact N-O 3.47Å; C324-L343 PolarHBondContact O-N 2.87Å
325	K	42.7	Very low	39.3	Very low	106 Å²	106	67.4 Å²	67.4	46%	0.461	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117.8	167.1	-176.1	173.4	-178.6	171.6	0	109.3	A313 K314 W316	A313-K325 CarbonylContact C-O 3.46Å; A313-K325 VanDerWaalsContact CA-O 3.31Å; A313-K325 WeakPolarHBondContact CA-O 3.4Å; K314-K325 PolarHBondContact N-O 3.29Å; K314-K325 PolarHBondContact O-N 3.07Å; W316-K325 HydrophobicContact CH2-CB 4.49Å; W316-K325 HydrophobicContact CZ3-CB 4.11Å
326	V	42.1	Very low	39.1	Very low	0 Å²	0	71.6 Å²	71.6	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	132.6	-179.4	178.6	0	0	0	0	109.7	L283 V292 A313 A341 L343	L283-V326 HydrophobicContact CD2-CG2 4.03Å; V292-V326 HydrophobicContact CB-CG1 4.38Å; V292-V326 HydrophobicContact CG1-CG1 3.6Å; V292-V326 HydrophobicContact CG1-CG2 4.27Å; V292-V326 HydrophobicContact CG2-CG1 4.29Å; V292-V326 HydrophobicContact CG2-CG2 4.22Å; A313-V326 HydrophobicContact CB-CG2 4.38Å; V326-A341 PolarHBondContact N-O 3.07Å; V326-A341 PolarHBondContact O-N 3.39Å; V326-L343 HydrophobicContact CG2-CD1 3.7Å
327	T	38.9	Very low	38.9	Very low	57 Å²	57	67.2 Å²	67.2	35%	0.35	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	122.3	170.8	-53.1	0	0	0	0	109.3	G311 K312 T338 L339 I340	G311-T327 CarbonylContact C-O 3.51Å; G311-T327 VanDerWaalsContact CA-O 3.22Å; G311-T327 WeakPolarHBondContact CA-O 3.19Å; K312-T327 PolarHBondContact N-O 2.88Å; K312-T327 PolarHBondContact O-N 3.05Å; T327-T338 HydrophobicContact CG2-CG2 4.17Å; T327-L339 WeakPolarHBondContact CA-O 3.48Å; T327-I340 HydrophobicContact CG2-CG1 4.2Å
328	A	41.1	Very low	38.6	Very low	4 Å²	4	63.7 Å²	63.7	3%	0.033	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149	-178.8	0	0	0	0	0	110.8	V294 L339	V294-A328 HydrophobicContact CB-CB 4.18Å; V294-A328 HydrophobicContact CG2-CB 3.68Å; A328-L339 PolarHBondContact N-O 3.33Å; A328-L339 PolarHBondContact O-N 2.85Å
329	M	38	Very low	38.7	Very low	92 Å²	92	61 Å²	61	45%	0.453	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.2	175.4	-172.2	-179.1	-63.3	0	0	109	S309 I331 K336	S309-M329 WeakPolarHBondContact CB-O 2.93Å; S309-M329 PolarHBondContact OG-O 2.77Å; M329-I331 HydrophobicContact CG-CG1 4.35Å; M329-K336 HydrophobicContact SD-CD 4.36Å
330	L	43.5	Very low	38.6	Very low	6 Å²	6	56 Å²	56	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	122.8	175.4	-56.8	178.8	0	0	0	108.8	M279 V294 H296 K336 S337 L339	M279-L330 HydrophobicContact SD-CD2 4.48Å; V294-L330 HydrophobicContact CG1-CD2 4.01Å; H296-L330 HydrophobicContact CB-CD2 4.13Å; L330-K336 WeakPolarHBondContact O-CA 3.33Å; L330-S337 WeakPolarHBondContact CA-O 3.28Å; L330-S337 PolarHBondContact N-O 2.73Å; L330-S337 PolarHBondContact O-N 3.43Å; L330-L339 HydrophobicContact CD1-CB 4Å; L330-L339 HydrophobicContact CD2-CB 4.49Å; L330-L339 HydrophobicContact CG-CB 4.03Å
331	I	41.7	Very low	39	Very low	68 Å²	68	47.2 Å²	47.2	35%	0.349	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.3	176.1	-53.9	177.9	0	0	0	107.5	S307 M329 N335 K336	S307-I331 WeakPolarHBondContact CB-O 3.2Å; S307-I331 PolarHBondContact OG-O 3.28Å; M329-I331 HydrophobicContact CG-CG1 4.35Å; I331-N335 WeakPolarHBondContact CA-O 3.26Å; I331-K336 HydrophobicContact CG1-CG 4.41Å
332	C	47	Very low	38.7	Very low	25 Å²	25	51 Å²	51	17%	0.169	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	116.6	173.7	174.3	0	0	0	0	109.2	C298 D334 N335	C298-C332 HydrophobicContact CB-CB 4Å; C298-C332 WeakPolarHBondContact CB-SG 3.37Å; C298-C332 WeakPolarHBondContact SG-CB 3.22Å; C298-C332 CovalentContact SG-SG 2.02Å; C298-C332 PolarHBondContact SG-SG 3.17Å; C332-D334 PolarHBondContact O-N 3.03Å; C332-D334 VanDerWaalsContact O-N 3.1Å; C332-N335 PolarHBondContact N-O 3.38Å; C332-N335 PolarHBondContact O-N 3.11Å
333	Q	50.3	Low	38.5	Very low	114 Å²	114	50 Å²	50	53%	0.533	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	-114.2	-168	-61.9	-178.1	-29.5	0	0	110.6	F305	F305-Q333 HydrophobicContact CD1-CG 3.95Å; F305-Q333 HydrophobicContact CD2-CG 3.71Å; F305-Q333 HydrophobicContact CE1-CG 3.96Å; F305-Q333 HydrophobicContact CE2-CG 3.77Å; F305-Q333 HydrophobicContact CG-CG 3.83Å; F305-Q333 HydrophobicContact CZ-CG 3.88Å
334	D	41.6	Very low	37.9	Very low	158 Å²	158	51.3 Å²	51.3	85%	0.845	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-4.8	179.6	-60.7	-41.2	0	0	0	113.5	C332	C332-D334 PolarHBondContact O-N 3.03Å; C332-D334 VanDerWaalsContact O-N 3.1Å
335	N	38	Very low	37.4	Very low	79 Å²	79	53.1 Å²	53.1	42%	0.422	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.5	-178.6	-76.8	-21.3	0	0	0	111.4	I331 C332	I331-N335 WeakPolarHBondContact CA-O 3.26Å; C332-N335 PolarHBondContact N-O 3.38Å; C332-N335 PolarHBondContact O-N 3.11Å
336	K	36.5	Very low	36.5	Very low	119 Å²	119	53.4 Å²	53.4	52%	0.517	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.8	172.5	-61.7	-177.5	-177.6	176.2	0	109.2	M329 L330 I331	M329-K336 HydrophobicContact SD-CD 4.36Å; L330-K336 WeakPolarHBondContact O-CA 3.33Å; I331-K336 HydrophobicContact CG1-CG 4.41Å
337	S	36.9	Very low	35.6	Very low	8 Å²	8	58.6 Å²	58.6	6%	0.056	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	143.8	173.6	-65.2	0	0	0	0	109.1	L217 E259 L330	L217-S337 CarbonylContact O-C 3.6Å; L217-S337 WeakPolarHBondContact O-CA 3.29Å; E259-S337 PolarHBondContact OE1-OG 2.71Å; L330-S337 WeakPolarHBondContact CA-O 3.28Å; L330-S337 PolarHBondContact N-O 2.73Å; L330-S337 PolarHBondContact O-N 3.43Å
338	T	31.7	Very low	34.9	Very low	35 Å²	35	63.5 Å²	63.5	22%	0.215	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.7	175.3	-60.3	0	0	0	0	110.2	L217 T327 I340	L217-T338 PolarHBondContact N-O 2.88Å; L217-T338 PolarHBondContact O-N 3.3Å; T327-T338 HydrophobicContact CG2-CG2 4.17Å; T338-I340 HydrophobicContact CG2-CG1 4.4Å
339	L	35.6	Very low	34	Very low	1 Å²	1	69 Å²	69	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.2	172.3	178.1	70.9	0	0	0	110.5	M214 I216 M279 I281 V294 T327 A328 L330	M214-L339 HydrophobicContact CE-CD1 4.34Å; I216-L339 HydrophobicContact CG1-CD1 3.96Å; M279-L339 HydrophobicContact CE-CD1 4.43Å; M279-L339 HydrophobicContact CE-CD2 4.24Å; M279-L339 HydrophobicContact SD-CD1 4.4Å; M279-L339 HydrophobicContact SD-CD2 3.49Å; M279-L339 WeakPolarHBondContact SD-CD2 3.4Å; I281-L339 HydrophobicContact CD1-CD2 4.05Å; V294-L339 HydrophobicContact CG1-CD2 4.49Å; T327-L339 WeakPolarHBondContact CA-O 3.48Å; A328-L339 PolarHBondContact N-O 3.33Å; A328-L339 PolarHBondContact O-N 2.85Å; L330-L339 HydrophobicContact CD1-CB 4Å; L330-L339 HydrophobicContact CD2-CB 4.49Å; L330-L339 HydrophobicContact CG-CB 4.03Å
340	I	29	Very low	33.3	Very low	53 Å²	53	71.7 Å²	71.7	27%	0.272	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119.2	166.4	-56.6	174.9	0	0	0	108.2	Y215 T327 T338	Y215-I340 PolarHBondContact N-O 3.19Å; Y215-I340 PolarHBondContact O-N 2.68Å; T327-I340 HydrophobicContact CG2-CG1 4.2Å; T338-I340 HydrophobicContact CG2-CG1 4.4Å
341	A	33	Very low	32.3	Very low	3 Å²	3	77.4 Å²	77.4	3%	0.025	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140	-179.9	0	0	0	0	0	111.4	M214 V326	M214-A341 HydrophobicContact CE-CB 3.65Å; M214-A341 HydrophobicContact CG-CB 3.89Å; V326-A341 PolarHBondContact N-O 3.07Å; V326-A341 PolarHBondContact O-N 3.39Å
342	E	27.3	Very low	31.6	Very low	87 Å²	87	82.7 Å²	82.7	41%	0.407	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.3	173.9	-169.2	170.2	-172.5	0	0	110.2	V213	V213-E342 PolarHBondContact O-N 2.85Å
343	L	34.1	Very low	30.5	Very low	7 Å²	7	85.3 Å²	85.3	4%	0.037	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.6	-174.4	-70.2	136.4	0	0	0	109.4	H212 W243 F250 L252 L283 N323 C324 V326	H212-L343 VanDerWaalsContact CD2-CD2 3.45Å; H212-L343 WeakPolarHBondContact CD2-CD2 3.49Å; H212-L343 WeakPolarHBondContact NE2-CD2 3.18Å; W243-L343 HydrophobicContact CH2-CD2 4.47Å; F250-L343 HydrophobicContact CE1-CD2 3.88Å; F250-L343 HydrophobicContact CZ-CD2 3.87Å; L252-L343 HydrophobicContact CD2-CD2 4.29Å; L283-L343 HydrophobicContact CD1-CD1 4.38Å; N323-L343 CarbonylContact C-O 3.57Å; N323-L343 WeakPolarHBondContact CA-O 3.44Å; C324-L343 HydrophobicContact CB-CB 4.35Å; C324-L343 PolarHBondContact N-O 3.47Å; C324-L343 PolarHBondContact O-N 2.87Å; V326-L343 HydrophobicContact CG2-CD1 3.7Å
344	I	27.2	Very low	29.5	Very low	49 Å²	49	85.9 Å²	85.9	25%	0.251	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	107.8	-177.9	-62.1	175.7	0	0	0	109.6	I210 N323 F346	I210-I344 VanDerWaalsContact CG2-O 3.32Å; I210-I344 WeakPolarHBondContact CG2-O 3.48Å; N323-I344 WeakPolarHBondContact OD1-CG2 3.22Å; I344-F346 HydrophobicContact CG2-CD2 4.26Å; I344-F346 HydrophobicContact CG2-CE1 4.49Å; I344-F346 HydrophobicContact CG2-CE2 3.6Å; I344-F346 HydrophobicContact CG2-CZ 3.73Å
345	E	29	Very low	28.8	Very low	45 Å²	45	84.2 Å²	84.2	21%	0.21	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.6	179.2	-173.7	-178.9	178.2	0	0	111.7	I210 A321 I322	I210-E345 HydrophobicContact CD1-CG 4.31Å; A321-E345 CarbonylContact C-O 3.58Å; A321-E345 WeakPolarHBondContact CA-O 3.25Å; A321-E345 WeakPolarHBondContact CB-O 3.43Å; I322-E345 PolarHBondContact N-O 2.96Å; I322-E345 PolarHBondContact O-N 3.02Å
346	F	24.2	Very low	28.5	Very low	111 Å²	111	86.2 Å²	86.2	49%	0.487	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.7	-178.8	-70.4	-80.8	0	0	0	113.5	T208 R320 A321 I344	T208-F346 WeakPolarHBondContact CG2-O 3.33Å; R320-F346 CarbonylContact O-C 3.58Å; R320-F346 WeakPolarHBondContact O-CA 3.25Å; A321-F346 HydrophobicContact CB-CD1 4.06Å; A321-F346 HydrophobicContact CB-CE1 4.29Å; I344-F346 HydrophobicContact CG2-CD2 4.26Å; I344-F346 HydrophobicContact CG2-CE1 4.49Å; I344-F346 HydrophobicContact CG2-CE2 3.6Å; I344-F346 HydrophobicContact CG2-CZ 3.73Å
347	M	23.6	Very low	27.9	Very low	109 Å²	109	88.8 Å²	88.8	54%	0.537	47%	0.47	S	S	.	.			trans	-108.7	132.5	174.3	-77.6	178.7	47.8	0	0	112.2	R320	R320-M347 PolarHBondContact O-N 3.44Å
348	K	24.5	Very low	27.3	Very low	161 Å²	161	90.6 Å²	90.6	70%	0.7	49%	0.491	S	S	*	.			trans	-101.6	107.9	177.3	-168.1	-169.2	179.1	-139.1	0	110.6	E350	K348-E350 IonicContact NZ-OE1 3.53Å; K348-E350 PolarHBondContact NZ-OE1 3.26Å
349	I	21.5	Very low	27	Very low	118 Å²	118	92.4 Å²	92.4	61%	0.605	50%	0.498	S	S	*	.			trans	-91.8	117.5	175	-55.8	176	0	0	0	109.1	T351	I349-T351 HydrophobicContact CG2-CG2 3.92Å
350	E	22.7	Very low	26.6	Very low	149 Å²	149	96.6 Å²	96.6	70%	0.696	52%	0.523	S	S	*	.			trans	-89.9	101.3	169.8	-79.3	-179.1	177.3	0	0	109.4	K348 L352	K348-E350 IonicContact NZ-OE1 3.53Å; K348-E350 PolarHBondContact NZ-OE1 3.26Å; E350-L352 PolarHBondContact O-N 2.78Å
351	T	23.6	Very low	26.4	Very low	127 Å²	127	101.5 Å²	101.5	78%	0.779	54%	0.543	S	S	*	.			trans	-84.9	105.6	-178.1	46.7	0	0	0	0	111.5	I349 A353	I349-T351 HydrophobicContact CG2-CG2 3.92Å; T351-A353 PolarHBondContact O-N 3.09Å
352	L	25.8	Very low	26.1	Very low	178 Å²	178	103.8 Å²	103.8	93%	0.932	56%	0.559	S	S	*	*			trans	-88.8	85.5	169.8	-78.5	157.9	0	0	0	110.2	E350	E350-L352 PolarHBondContact O-N 2.78Å
353	A	23.7	Very low	26.3	Very low	81 Å²	81	104 Å²	104	67%	0.669	56%	0.562	S	S	*	*			trans	-160.6	124.6	160.4	0	0	0	0	0	111.2	T351	T351-A353 PolarHBondContact O-N 3.09Å
354	S	30.2	Very low	26.1	Very low	126 Å²	126	108.9 Å²	108.9	88%	0.881	59%	0.587	S	S	*	*			trans	-98.2	24.7	-161.8	45.7	0	0	0	0	115.9
355	N	26.8	Very low	26.2	Very low	122 Å²	122	109.5 Å²	109.5	65%	0.652	59%	0.591	S	S	*	*			trans	-129.9	93.9	-178.2	-151	-12.1	0	0	0	114.4	Q357 G358	N355-Q357 PolarHBondContact O-N 3.5Å; N355-G358 PolarHBondContact O-N 3.07Å
356	N	31.3	Very low	26.3	Very low	122 Å²	122	112.5 Å²	112.5	65%	0.652	61%	0.605	S	S	*	*	H	α-helix	trans	-66.8	-22.3	-169.1	-72.4	-19	0	0	0	115.9	I359	N356-I359 PolarHBondContact O-N 3.4Å
357	Q	24.1	Very low	26.7	Very low	172 Å²	172	115.1 Å²	115.1	80%	0.804	61%	0.612	S	S	*	*	H	α-helix	trans	-76.9	-28.3	-179.2	-75.5	-174.5	-9.5	0	0	112.8	N355 I359	N355-Q357 PolarHBondContact O-N 3.5Å; Q357-I359 VanDerWaalsContact C-N 3.31Å
358	G	24.3	Very low	27.1	Very low	47 Å²	47	112.2 Å²	112.2	49%	0.485	61%	0.605	S	S	.	*	H	α-helix	trans	-67.2	-34.7	169.4	0	0	0	0	0	112	N355 K361 S362	N355-G358 PolarHBondContact O-N 3.07Å; G358-K361 PolarHBondContact O-N 2.91Å; G358-S362 WeakPolarHBondContact O-CB 3.29Å; G358-S362 PolarHBondContact O-N 3.37Å
359	I	26.1	Very low	27.4	Very low	72 Å²	72	106.2 Å²	106.2	37%	0.369	58%	0.583	S	S	.	*	H	α-helix	trans	-65.2	-45.6	-174.3	-61.1	178.1	0	0	0	111.8	N356 Q357 S362 L363	N356-I359 PolarHBondContact O-N 3.4Å; Q357-I359 VanDerWaalsContact C-N 3.31Å; I359-S362 PolarHBondContact O-N 2.81Å; I359-L363 HydrophobicContact CG2-CD1 3.56Å; I359-L363 HydrophobicContact CG2-CG 4.29Å; I359-L363 VanDerWaalsContact O-CB 3.24Å; I359-L363 WeakPolarHBondContact O-CB 3.38Å; I359-L363 WeakPolarHBondContact O-CD1 3.43Å; I359-L363 VanDerWaalsContact O-CG 3.26Å; I359-L363 WeakPolarHBondContact O-CG 3.07Å; I359-L363 PolarHBondContact O-N 3.03Å
360	V	26.2	Very low	27.9	Very low	89 Å²	89	105.3 Å²	105.3	54%	0.539	58%	0.576	S	S	.	*	H	α-helix	trans	-69.1	-39.9	-178.3	-178.6	0	0	0	0	111.2	I364	V360-I364 HydrophobicContact CG1-CD1 3.92Å; V360-I364 VanDerWaalsContact O-CG1 3.28Å; V360-I364 WeakPolarHBondContact O-CG1 3.16Å; V360-I364 PolarHBondContact O-N 3.2Å
361	K	24.9	Very low	28.3	Very low	157 Å²	157	102.1 Å²	102.1	68%	0.683	56%	0.563	S	S	*	*	H	α-helix	trans	-71.5	-36.1	178	-125.7	178.5	-177.4	179.1	0	112	G358 N365	G358-K361 PolarHBondContact O-N 2.91Å; K361-N365 WeakPolarHBondContact O-CB 3.39Å; K361-N365 PolarHBondContact O-N 3.4Å; K361-N365 VanDerWaalsContact O-N 3.15Å
362	S	27.6	Very low	28.6	Very low	51 Å²	51	98.9 Å²	98.9	36%	0.357	54%	0.543	S	S	.	.	H	α-helix	trans	-63.8	-51.7	171.5	-167.3	0	0	0	0	110.5	G358 I359 I364 N365 E366	G358-S362 WeakPolarHBondContact O-CB 3.29Å; G358-S362 PolarHBondContact O-N 3.37Å; I359-S362 PolarHBondContact O-N 2.81Å; S362-I364 PolarHBondContact O-N 3.02Å; S362-N365 CarbonylContact O-C 3.58Å; S362-N365 PolarHBondContact O-N 3.36Å; S362-N365 VanDerWaalsContact O-N 3.15Å; S362-E366 VanDerWaalsContact O-CB 3.27Å; S362-E366 WeakPolarHBondContact O-CB 3.39Å; S362-E366 WeakPolarHBondContact O-CG 3.45Å; S362-E366 PolarHBondContact O-N 3.47Å; S362-E366 PolarHBondContact OG-OE2 3.05Å
363	L	31.3	Very low	28.9	Very low	91 Å²	91	96.7 Å²	96.7	48%	0.476	52%	0.524	S	S	.	.	H	α-helix	trans	-59	-42.2	-178.9	-81.9	163.9	0	0	0	112.7	I359 W367	I359-L363 HydrophobicContact CG2-CD1 3.56Å; I359-L363 HydrophobicContact CG2-CG 4.29Å; I359-L363 VanDerWaalsContact O-CB 3.24Å; I359-L363 WeakPolarHBondContact O-CB 3.38Å; I359-L363 WeakPolarHBondContact O-CD1 3.43Å; I359-L363 VanDerWaalsContact O-CG 3.26Å; I359-L363 WeakPolarHBondContact O-CG 3.07Å; I359-L363 PolarHBondContact O-N 3.03Å; L363-W367 VanDerWaalsContact O-CB 3.24Å; L363-W367 WeakPolarHBondContact O-CB 3.32Å; L363-W367 PolarHBondContact O-N 2.72Å
364	I	29.2	Very low	29.2	Very low	110 Å²	110	98.6 Å²	98.6	56%	0.564	52%	0.517	S	S	*	.	H	α-helix	trans	-68.5	-41.3	178.3	-67.2	168.9	0	0	0	110.9	V360 S362 A368	V360-I364 HydrophobicContact CG1-CD1 3.92Å; V360-I364 VanDerWaalsContact O-CG1 3.28Å; V360-I364 WeakPolarHBondContact O-CG1 3.16Å; V360-I364 PolarHBondContact O-N 3.2Å; S362-I364 PolarHBondContact O-N 3.02Å; I364-A368 WeakPolarHBondContact O-CB 3.14Å; I364-A368 PolarHBondContact O-N 3.03Å
365	N	28.9	Very low	29.2	Very low	62 Å²	62	99.1 Å²	99.1	33%	0.332	51%	0.505	S	S	.	.	H	α-helix	trans	-71.9	-37.8	178.2	-78.3	-12.8	0	0	0	112.1	K361 S362 A368 C369 G392	K361-N365 WeakPolarHBondContact O-CB 3.39Å; K361-N365 PolarHBondContact O-N 3.4Å; K361-N365 VanDerWaalsContact O-N 3.15Å; S362-N365 CarbonylContact O-C 3.58Å; S362-N365 PolarHBondContact O-N 3.36Å; S362-N365 VanDerWaalsContact O-N 3.15Å; N365-A368 PolarHBondContact O-N 3.14Å; N365-C369 PolarHBondContact O-N 3.39Å; N365-C369 PolarHBondContact O-SG 3.41Å; N365-G392 PolarHBondContact ND2-O 3.32Å
366	E	31.7	Very low	29.2	Very low	108 Å²	108	95.2 Å²	95.2	51%	0.505	49%	0.486	S	S	.	.	H	α-helix	trans	-66.8	-42.5	174.4	-78.6	172.2	147.6	0	0	110.5	S362 A368 C369 E370	S362-E366 VanDerWaalsContact O-CB 3.27Å; S362-E366 WeakPolarHBondContact O-CB 3.39Å; S362-E366 WeakPolarHBondContact O-CG 3.45Å; S362-E366 PolarHBondContact O-N 3.47Å; S362-E366 PolarHBondContact OG-OE2 3.05Å; E366-A368 VanDerWaalsContact C-N 3.34Å; E366-A368 PolarHBondContact O-N 3.01Å; E366-C369 CarbonylContact O-C 3.55Å; E366-C369 PolarHBondContact O-N 2.97Å; E366-E370 WeakPolarHBondContact O-CB 3.11Å; E366-E370 WeakPolarHBondContact O-CG 3.49Å; E366-E370 PolarHBondContact O-N 3.21Å
367	W	33.2	Very low	29.1	Very low	165 Å²	165	94.4 Å²	94.4	63%	0.625	48%	0.481	S	S	*	.	H	α-helix	trans	-61.1	-40.9	171.2	-104.1	47.4	0	0	0	112.3	L363 E370 I371	L363-W367 VanDerWaalsContact O-CB 3.24Å; L363-W367 WeakPolarHBondContact O-CB 3.32Å; L363-W367 PolarHBondContact O-N 2.72Å; W367-E370 PolarHBondContact O-N 2.77Å; W367-I371 HydrophobicContact CE3-CD1 4.14Å; W367-I371 WeakPolarHBondContact O-CB 3.39Å; W367-I371 VanDerWaalsContact O-CG1 3.29Å; W367-I371 WeakPolarHBondContact O-CG1 3.35Å; W367-I371 PolarHBondContact O-N 3.32Å
368	A	31.1	Very low	29.3	Very low	49 Å²	49	88.9 Å²	88.9	41%	0.405	46%	0.461	S	S	.	.	H	α-helix	trans	-65.9	-42.5	176.5	0	0	0	0	0	111.6	I364 N365 E366 T372	I364-A368 WeakPolarHBondContact O-CB 3.14Å; I364-A368 PolarHBondContact O-N 3.03Å; N365-A368 PolarHBondContact O-N 3.14Å; E366-A368 VanDerWaalsContact C-N 3.34Å; E366-A368 PolarHBondContact O-N 3.01Å; A368-T372 WeakPolarHBondContact O-CB 3.49Å; A368-T372 PolarHBondContact O-N 2.91Å; A368-T372 PolarHBondContact O-OG1 3.31Å
369	C	30.4	Very low	29.4	Very low	35 Å²	35	88.9 Å²	88.9	24%	0.236	45%	0.454	C	S	.	.	H	α-helix	trans	-71.5	-31.5	176.1	-47.2	0	0	0	0	110.7	N365 E366 T372 Y373 C394	N365-C369 PolarHBondContact O-N 3.39Å; N365-C369 PolarHBondContact O-SG 3.41Å; E366-C369 CarbonylContact O-C 3.55Å; E366-C369 PolarHBondContact O-N 2.97Å; C369-T372 PolarHBondContact O-N 3.41Å; C369-Y373 WeakPolarHBondContact O-CB 3.44Å; C369-Y373 PolarHBondContact O-N 3.15Å; C369-C394 WeakPolarHBondContact CB-SG 3.33Å; C369-C394 WeakPolarHBondContact SG-CB 3.41Å; C369-C394 CovalentContact SG-SG 2.11Å; C369-C394 PolarHBondContact SG-SG 3.12Å
370	E	32.6	Very low	29.7	Very low	98 Å²	98	95.9 Å²	95.9	46%	0.458	48%	0.481	S	S	.	.	H	α-helix	trans	-67.4	-47.5	172.4	-86.7	-170.2	166.9	0	0	112.1	E366 W367 T372 Y373 F374	E366-E370 WeakPolarHBondContact O-CB 3.11Å; E366-E370 WeakPolarHBondContact O-CG 3.49Å; E366-E370 PolarHBondContact O-N 3.21Å; W367-E370 PolarHBondContact O-N 2.77Å; E370-T372 PolarHBondContact O-N 2.92Å; E370-Y373 CarbonylContact O-C 3.54Å; E370-Y373 PolarHBondContact O-N 2.77Å; E370-Y373 VanDerWaalsContact O-N 3.16Å; E370-F374 HydrophobicContact CB-CD2 4.42Å; E370-F374 WeakPolarHBondContact O-CB 3.2Å; E370-F374 VanDerWaalsContact O-CD2 3.22Å; E370-F374 WeakPolarHBondContact O-CD2 3.47Å; E370-F374 PolarHBondContact O-N 2.81Å
371	I	31.6	Very low	29.7	Very low	82 Å²	82	99.2 Å²	99.2	42%	0.421	49%	0.489	S	S	.	.	H	α-helix	trans	-60.2	-41	175.4	-70.5	173.9	0	0	0	109.6	W367 Q375	W367-I371 HydrophobicContact CE3-CD1 4.14Å; W367-I371 WeakPolarHBondContact O-CB 3.39Å; W367-I371 VanDerWaalsContact O-CG1 3.29Å; W367-I371 WeakPolarHBondContact O-CG1 3.35Å; W367-I371 PolarHBondContact O-N 3.32Å; I371-Q375 HydrophobicContact CG2-CG 4.39Å; I371-Q375 VanDerWaalsContact O-CB 3.26Å; I371-Q375 WeakPolarHBondContact O-CB 2.9Å; I371-Q375 WeakPolarHBondContact O-CG 3.18Å; I371-Q375 PolarHBondContact O-N 3.44Å
372	T	30	Very low	30	Very low	60 Å²	60	101.9 Å²	101.9	37%	0.368	50%	0.5	S	S	.	.	H	α-helix	trans	-68.2	-38.6	176.8	-49.1	0	0	0	0	111.4	A368 C369 E370 T376	A368-T372 WeakPolarHBondContact O-CB 3.49Å; A368-T372 PolarHBondContact O-N 2.91Å; A368-T372 PolarHBondContact O-OG1 3.31Å; C369-T372 PolarHBondContact O-N 3.41Å; E370-T372 PolarHBondContact O-N 2.92Å; T372-T376 WeakPolarHBondContact O-CB 3.32Å; T372-T376 PolarHBondContact O-N 2.97Å; T372-T376 VanDerWaalsContact O-N 3.07Å; T372-T376 PolarHBondContact O-OG1 3.38Å
373	Y	31	Very low	30	Very low	131 Å²	131	103.3 Å²	103.3	51%	0.514	50%	0.5	S	S	.	.	H	α-helix	trans	-65.1	-46.2	175	-179.5	-109.1	0	0	0	111.5	C369 E370 T376 L377	C369-Y373 WeakPolarHBondContact O-CB 3.44Å; C369-Y373 PolarHBondContact O-N 3.15Å; E370-Y373 CarbonylContact O-C 3.54Å; E370-Y373 PolarHBondContact O-N 2.77Å; E370-Y373 VanDerWaalsContact O-N 3.16Å; Y373-T376 CarbonylContact O-C 3.53Å; Y373-T376 PolarHBondContact O-N 3.35Å; Y373-L377 HydrophobicContact CD1-CD1 3.7Å; Y373-L377 HydrophobicContact CD1-CG 4.32Å; Y373-L377 HydrophobicContact CE1-CD1 3.17Å; Y373-L377 HydrophobicContact CE1-CG 3.9Å; Y373-L377 HydrophobicContact CE2-CD1 4.4Å; Y373-L377 HydrophobicContact CE2-CG 4.25Å; Y373-L377 PolarHBondContact O-N 3Å
374	F	31.5	Very low	30	Very low	122 Å²	122	104.4 Å²	104.4	54%	0.535	51%	0.511	S	S	.	.	H	α-helix	trans	-63.7	-43.5	174.9	-86.4	-67.3	0	0	0	111.9	E370 T376 C378	E370-F374 HydrophobicContact CB-CD2 4.42Å; E370-F374 WeakPolarHBondContact O-CB 3.2Å; E370-F374 VanDerWaalsContact O-CD2 3.22Å; E370-F374 WeakPolarHBondContact O-CD2 3.47Å; E370-F374 PolarHBondContact O-N 2.81Å; F374-T376 PolarHBondContact O-N 3.11Å; F374-C378 VanDerWaalsContact O-CB 3.32Å; F374-C378 WeakPolarHBondContact O-CB 3.46Å; F374-C378 PolarHBondContact O-N 2.99Å; F374-C378 PolarHBondContact O-SG 3.37Å
375	Q	29.3	Very low	29.9	Very low	136 Å²	136	101.5 Å²	101.5	64%	0.636	50%	0.496	S	S	*	.	H	α-helix	trans	-58.2	-28.8	172.8	-78.7	177	-7.5	0	0	111.8	I371	I371-Q375 HydrophobicContact CG2-CG 4.39Å; I371-Q375 VanDerWaalsContact O-CB 3.26Å; I371-Q375 WeakPolarHBondContact O-CB 2.9Å; I371-Q375 WeakPolarHBondContact O-CG 3.18Å; I371-Q375 PolarHBondContact O-N 3.44Å
376	T	27.8	Very low	30	Very low	41 Å²	41	105.7 Å²	105.7	25%	0.252	51%	0.514	S	S	.	.	H	α-helix	trans	-95.5	-33.2	-177.2	-39	0	0	0	0	114.3	T372 Y373 F374 C378 S379 I385	T372-T376 WeakPolarHBondContact O-CB 3.32Å; T372-T376 PolarHBondContact O-N 2.97Å; T372-T376 VanDerWaalsContact O-N 3.07Å; T372-T376 PolarHBondContact O-OG1 3.38Å; Y373-T376 CarbonylContact O-C 3.53Å; Y373-T376 PolarHBondContact O-N 3.35Å; F374-T376 PolarHBondContact O-N 3.11Å; T376-C378 PolarHBondContact O-N 2.95Å; T376-S379 WeakPolarHBondContact O-CA 3.48Å; T376-S379 VanDerWaalsContact O-CB 3.25Å; T376-S379 WeakPolarHBondContact O-CB 3.5Å; T376-S379 PolarHBondContact O-N 3.43Å; T376-S379 PolarHBondContact O-OG 3.44Å; T376-I385 HydrophobicContact CG2-CD1 3.47Å; T376-I385 VanDerWaalsContact CG2-CD1 3.47Å
377	L	28.9	Very low	29.8	Very low	104 Å²	104	104.9 Å²	104.9	55%	0.545	52%	0.516	S	S	.	.	H	α-helix	trans	-57.6	-31.8	167.9	-89.9	174.3	0	0	0	111.4	Y373 S379	Y373-L377 HydrophobicContact CD1-CD1 3.7Å; Y373-L377 HydrophobicContact CD1-CG 4.32Å; Y373-L377 HydrophobicContact CE1-CD1 3.17Å; Y373-L377 HydrophobicContact CE1-CG 3.9Å; Y373-L377 HydrophobicContact CE2-CD1 4.4Å; Y373-L377 HydrophobicContact CE2-CG 4.25Å; Y373-L377 PolarHBondContact O-N 3Å; L377-S379 PolarHBondContact O-N 3.37Å
378	C	28	Very low	29.7	Very low	57 Å²	57	100 Å²	100	39%	0.385	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-10.3	174	-72.5	0	0	0	0	113.6	F374 T376 Y411	F374-C378 VanDerWaalsContact O-CB 3.32Å; F374-C378 WeakPolarHBondContact O-CB 3.46Å; F374-C378 PolarHBondContact O-N 2.99Å; F374-C378 PolarHBondContact O-SG 3.37Å; T376-C378 PolarHBondContact O-N 2.95Å; C378-Y411 WeakPolarHBondContact CA-OH 3.49Å; C378-Y411 HydrophobicContact CB-CE2 3.86Å; C378-Y411 WeakPolarHBondContact CB-OH 3.46Å; C378-Y411 PolarHBondContact O-OH 3.3Å; C378-Y411 PolarHBondContact SG-OH 2.9Å
379	S	26.4	Very low	29.6	Very low	47 Å²	47	102.6 Å²	102.6	33%	0.329	52%	0.522	S	S	.	.	S	Bend	trans	-92.3	117.4	176.8	122.8	0	0	0	0	110	T376 L377 K381	T376-S379 WeakPolarHBondContact O-CA 3.48Å; T376-S379 VanDerWaalsContact O-CB 3.25Å; T376-S379 WeakPolarHBondContact O-CB 3.5Å; T376-S379 PolarHBondContact O-N 3.43Å; T376-S379 PolarHBondContact O-OG 3.44Å; L377-S379 PolarHBondContact O-N 3.37Å; S379-K381 PolarHBondContact O-N 3.35Å
380	K	31.8	Very low	29.6	Very low	218 Å²	218	105.7 Å²	105.7	95%	0.948	54%	0.54	S	S	*	.	S	Bend	trans	-65.4	0.5	-178	-75.5	-172.2	176.2	-178.4	0	115.6
381	K	26.9	Very low	29.3	Very low	159 Å²	159	109.1 Å²	109.1	69%	0.691	56%	0.562	S	S	*	*	S	Bend	trans	-99	117.8	176.1	-74.1	-169.7	178.1	-175	0	109.4	S379 F383	S379-K381 PolarHBondContact O-N 3.35Å; K381-F383 VanDerWaalsContact C-N 3.28Å; K381-F383 HydrophobicContact CB-CD2 4.11Å; K381-F383 HydrophobicContact CB-CE2 3.55Å; K381-F383 HydrophobicContact CB-CZ 3.97Å; K381-F383 HydrophobicContact CD-CZ 4.39Å; K381-F383 WeakPolarHBondContact O-CD2 3.44Å; K381-F383 PolarHBondContact O-N 2.96Å
382	K	31.8	Very low	29.1	Very low	214 Å²	214	107.5 Å²	107.5	93%	0.93	57%	0.565	S	S	*	*			trans	-62.1	83.9	176.5	-65.8	-177.2	177.3	-174.6	0	109.9
383	F	27.4	Very low	28.7	Very low	80 Å²	80	114.7 Å²	114.7	35%	0.351	59%	0.586	S	S	.	*			trans	-88.7	129.9	164.4	-61.8	-74.3	0	0	0	107.6	K381 I385	K381-F383 VanDerWaalsContact C-N 3.28Å; K381-F383 HydrophobicContact CB-CD2 4.11Å; K381-F383 HydrophobicContact CB-CE2 3.55Å; K381-F383 HydrophobicContact CB-CZ 3.97Å; K381-F383 HydrophobicContact CD-CZ 4.39Å; K381-F383 WeakPolarHBondContact O-CD2 3.44Å; K381-F383 PolarHBondContact O-N 2.96Å; F383-I385 HydrophobicContact CB-CG1 4.5Å; F383-I385 PolarHBondContact O-N 3.34Å
384	T	29.6	Very low	28.6	Very low	115 Å²	115	111.3 Å²	111.3	71%	0.706	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76.9	115.3	168.7	-32.7	0	0	0	0	106.9
385	I	28.4	Very low	28.4	Very low	49 Å²	49	108.2 Å²	108.2	25%	0.251	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.4	113.2	-177.8	-56.4	171.5	0	0	0	106.9	T376 F383 T387 V396	T376-I385 HydrophobicContact CG2-CD1 3.47Å; T376-I385 VanDerWaalsContact CG2-CD1 3.47Å; F383-I385 HydrophobicContact CB-CG1 4.5Å; F383-I385 PolarHBondContact O-N 3.34Å; I385-T387 HydrophobicContact CG2-CG2 4Å; I385-V396 HydrophobicContact CG2-CG1 3.86Å
386	E	30.5	Very low	28.4	Very low	150 Å²	150	104.9 Å²	104.9	70%	0.701	56%	0.563	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.3	108.3	165.6	-72.8	-177.4	174.5	0	0	108.3
387	T	28.4	Very low	28.3	Very low	91 Å²	91	107.6 Å²	107.6	56%	0.558	57%	0.574	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.2	117.1	168.7	43	0	0	0	0	108.8	I385 V396	I385-T387 HydrophobicContact CG2-CG2 4Å; T387-V396 HydrophobicContact CG2-CG2 4.39Å
388	S	30.6	Very low	28.3	Very low	63 Å²	63	105.6 Å²	105.6	44%	0.441	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.6	127.9	166.8	68.9	0	0	0	0	110.4	S395	S388-S395 PolarHBondContact O-N 2.84Å
389	S	29	Very low	28.5	Very low	102 Å²	102	110 Å²	110	71%	0.713	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.6	113	169.4	169.6	0	0	0	0	108.2
390	T	30	Very low	28.7	Very low	100 Å²	100	112.4 Å²	112.4	61%	0.613	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-130.9	123.5	169.3	-3.9	0	0	0	0	109	G392 R393	T390-G392 VanDerWaalsContact C-N 3.28Å; T390-G392 PolarHBondContact O-N 2.88Å; T390-R393 PolarHBondContact O-N 2.86Å
391	N	25.9	Very low	28.2	Very low	170 Å²	170	112.6 Å²	112.6	91%	0.909	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	48	43.6	-179.3	-66.9	-14.3	0	0	0	114.8	R393	N391-R393 PolarHBondContact O-N 3.35Å
392	G	27.1	Very low	28	Very low	48 Å²	48	110.1 Å²	110.1	50%	0.495	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	78.2	12.3	170.7	0	0	0	0	0	115.7	N365 T390	N365-G392 PolarHBondContact ND2-O 3.32Å; T390-G392 VanDerWaalsContact C-N 3.28Å; T390-G392 PolarHBondContact O-N 2.88Å
393	R	23.1	Very low	27.5	Very low	212 Å²	212	109.3 Å²	109.3	80%	0.8	58%	0.584	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.1	118.9	170	-66.1	-176.6	177.3	179.5	-0.7	109.6	T390 N391	T390-R393 PolarHBondContact O-N 2.86Å; N391-R393 PolarHBondContact O-N 3.35Å
394	C	29.4	Very low	27.3	Very low	59 Å²	59	114.1 Å²	114.1	40%	0.399	61%	0.613	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83	114.1	174.3	-164.7	0	0	0	0	107	C369	C369-C394 WeakPolarHBondContact CB-SG 3.33Å; C369-C394 WeakPolarHBondContact SG-CB 3.41Å; C369-C394 CovalentContact SG-SG 2.11Å; C369-C394 PolarHBondContact SG-SG 3.12Å
395	S	26.8	Very low	26.8	Very low	57 Å²	57	119.9 Å²	119.9	40%	0.399	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.1	116.7	171.7	160.6	0	0	0	0	108.2	S388	S388-S395 PolarHBondContact O-N 2.84Å
396	V	28.9	Very low	26.4	Very low	66 Å²	66	126.8 Å²	126.8	40%	0.4	65%	0.653	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.8	104.8	176.8	-174.9	0	0	0	0	107.5	I385 T387	I385-V396 HydrophobicContact CG2-CG1 3.86Å; T387-V396 HydrophobicContact CG2-CG2 4.39Å
397	M	25.5	Very low	26	Very low	99 Å²	99	125.6 Å²	125.6	49%	0.488	66%	0.655	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.4	118.1	170.7	-79.9	-163.1	-70.6	0	0	109.5
398	T	29.9	Very low	25.5	Very low	62 Å²	62	128.2 Å²	128.2	38%	0.38	67%	0.666	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.2	117.5	168.9	48.6	0	0	0	0	108.5	P400 R401	T398-P400 CarbonylContact O-C 3.38Å; T398-R401 PolarHBondContact O-N 3.21Å
399	Q	30.7	Very low	25.2	Very low	149 Å²	149	130.3 Å²	130.3	70%	0.696	68%	0.676	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.8	136.3	169.6	-75.9	-157.4	8.1	0	0	111.2
400	P	30.1	Very low	24.7	Very low	97 Å²	97	137.1 Å²	137.1	63%	0.63	69%	0.686	S	S	*	*	S	Bend	cis	-79.8	152.1	-6.6	6.1	11.7	0	0	0	111.2	T398 V402	T398-P400 CarbonylContact O-C 3.38Å; P400-V402 WeakPolarHBondContact O-CG2 3Å; P400-V402 PolarHBondContact O-N 3.06Å
401	R	21.9	Very low	24.4	Very low	222 Å²	222	138.2 Å²	138.2	84%	0.838	68%	0.68	S	S	*	*			trans	-60.4	92.3	-179.6	-76.1	179.2	175.6	167.1	-1.1	111.6	T398	T398-R401 PolarHBondContact O-N 3.21Å
402	V	22.9	Very low	24.3	Very low	108 Å²	108	136.2 Å²	136.2	66%	0.655	68%	0.679	S	S	*	*			trans	-93.8	118	174.6	-172.6	0	0	0	0	109.6	P400 L404	P400-V402 WeakPolarHBondContact O-CG2 3Å; P400-V402 PolarHBondContact O-N 3.06Å; V402-L404 PolarHBondContact O-N 3.06Å
403	K	21.7	Very low	24.1	Very low	196 Å²	196	137.5 Å²	137.5	85%	0.852	69%	0.692	S	S	*	*			trans	-58.1	128.7	172.5	-82.1	-179.4	174.3	178.4	0	110.2	R405	K403-R405 PolarHBondContact O-N 3.23Å
404	L	22.3	Very low	24.2	Very low	182 Å²	182	132.6 Å²	132.6	95%	0.953	68%	0.681	S	S	*	*			trans	-49.3	106.5	-179.4	-77.3	147	0	0	0	112	V402	V402-L404 PolarHBondContact O-N 3.06Å
405	R	19.4	Very low	24	Very low	236 Å²	236	133.9 Å²	133.9	89%	0.891	69%	0.687	S	S	*	*			trans	-111.5	127.1	156.7	-82.6	-171.5	176.6	-176.4	-0	107.9	K403 V407	K403-R405 PolarHBondContact O-N 3.23Å; R405-V407 PolarHBondContact O-N 2.98Å
406	H	21.3	Very low	24.1	Very low	194 Å²	194	136.3 Å²	136.3	90%	0.898	70%	0.699	S	S	*	*			trans	-38.1	118.3	-173.6	-75.7	-65.1	0	0	0	114.3
407	V	20.9	Very low	24.2	Very low	124 Å²	124	141.3 Å²	141.3	75%	0.752	72%	0.715	S	S	*	*			trans	-94.3	109.2	172.2	-179.1	0	0	0	0	107.8	R405 V409	R405-V407 PolarHBondContact O-N 2.98Å; V407-V409 PolarHBondContact O-N 2.95Å
408	N	19	Very low	24.3	Very low	147 Å²	147	137.7 Å²	137.7	79%	0.786	70%	0.704	S	S	*	*			trans	-68.4	111.1	167.7	-81.2	-25.9	0	0	0	108.7	W410	N408-W410 PolarHBondContact O-N 2.8Å
409	V	23	Very low	24.3	Very low	107 Å²	107	138.3 Å²	138.3	65%	0.648	71%	0.708	S	S	*	*			trans	-79	111	-176.9	179.7	0	0	0	0	109.8	V407 Y411	V407-V409 PolarHBondContact O-N 2.95Å; V409-Y411 HydrophobicContact CG1-CD2 3.79Å
410	W	19.6	Very low	24.4	Very low	245 Å²	245	136.2 Å²	136.2	93%	0.928	70%	0.7	S	S	*	*			trans	-95.8	94.6	166.1	-84	39.9	0	0	0	108.8	N408	N408-W410 PolarHBondContact O-N 2.8Å
411	Y	22.9	Very low	24.6	Very low	123 Å²	123	135.7 Å²	135.7	48%	0.482	69%	0.686	S	S	.	*			trans	-108.7	113.8	156.2	-94.8	-91.5	0	0	0	106.8	C378 V409 G413	C378-Y411 WeakPolarHBondContact CA-OH 3.49Å; C378-Y411 HydrophobicContact CB-CE2 3.86Å; C378-Y411 WeakPolarHBondContact CB-OH 3.46Å; C378-Y411 PolarHBondContact O-OH 3.3Å; C378-Y411 PolarHBondContact SG-OH 2.9Å; V409-Y411 HydrophobicContact CG1-CD2 3.79Å; Y411-G413 PolarHBondContact O-N 3.17Å
412	S	24.4	Very low	25.2	Very low	128 Å²	128	129.3 Å²	129.3	90%	0.895	67%	0.668	S	S	*	*	S	Bend	trans	-63.3	114.5	-175.7	52.2	0	0	0	0	111.3
413	G	23.3	Very low	25.8	Very low	75 Å²	75	126.7 Å²	126.7	77%	0.773	66%	0.655	S	S	*	*	S	Bend	trans	114.7	-37	169.8	0	0	0	0	0	114.5	Y411 T415	Y411-G413 PolarHBondContact O-N 3.17Å; G413-T415 PolarHBondContact O-N 2.79Å; G413-T415 VanDerWaalsContact O-N 3.08Å
414	I	23.7	Very low	26.5	Very low	108 Å²	108	118.8 Å²	118.8	55%	0.554	63%	0.626	S	S	*	*			trans	-84.2	95.4	176.3	-51.5	178.2	0	0	0	107.6	V419	I414-V419 HydrophobicContact CG2-CG2 3.54Å
415	T	25.8	Very low	27.2	Very low	86 Å²	86	113 Å²	113	53%	0.528	60%	0.596	S	S	.	*			trans	-57.6	145.8	174.6	63.2	0	0	0	0	109.4	G413 K417 G418 V419	G413-T415 PolarHBondContact O-N 2.79Å; G413-T415 VanDerWaalsContact O-N 3.08Å; T415-K417 PolarHBondContact O-N 2.9Å; T415-G418 WeakPolarHBondContact O-CA 3.21Å; T415-G418 PolarHBondContact O-N 3.38Å; T415-G418 PolarHBondContact OG1-N 2.74Å; T415-G418 VanDerWaalsContact OG1-N 3.15Å; T415-V419 PolarHBondContact O-N 2.75Å
416	V	28.3	Very low	28	Very low	108 Å²	108	108.3 Å²	108.3	66%	0.655	58%	0.582	S	S	*	*	H	α-helix	trans	-51.6	-32.1	171.2	173.5	0	0	0	0	110.6	V419 I420	V416-V419 PolarHBondContact O-N 3.01Å; V416-I420 HydrophobicContact CG1-CD1 3.68Å; V416-I420 HydrophobicContact CG1-CG1 4.26Å; V416-I420 WeakPolarHBondContact O-CB 3.16Å; V416-I420 WeakPolarHBondContact O-CG1 3.39Å; V416-I420 PolarHBondContact O-N 3.24Å
417	K	31.4	Very low	28.7	Very low	171 Å²	171	103.4 Å²	103.4	74%	0.743	56%	0.562	S	S	*	*	H	α-helix	trans	-57.9	-45.5	170.4	-70	-174.8	179.1	-179.2	0	112.3	T415 I420 Y421	T415-K417 PolarHBondContact O-N 2.9Å; K417-I420 PolarHBondContact O-N 3.07Å; K417-Y421 WeakPolarHBondContact O-CB 3.34Å; K417-Y421 PolarHBondContact O-N 2.88Å
418	G	28.4	Very low	29.5	Very low	24 Å²	24	98.4 Å²	98.4	25%	0.247	53%	0.53	C	S	.	.	H	α-helix	trans	-62.5	-42.5	177.1	0	0	0	0	0	113.7	T415 Y421 L422	T415-G418 WeakPolarHBondContact O-CA 3.21Å; T415-G418 PolarHBondContact O-N 3.38Å; T415-G418 PolarHBondContact OG1-N 2.74Å; T415-G418 VanDerWaalsContact OG1-N 3.15Å; G418-Y421 PolarHBondContact O-N 3.27Å; G418-L422 WeakPolarHBondContact O-CB 3.4Å; G418-L422 WeakPolarHBondContact O-CG 3.32Å; G418-L422 PolarHBondContact O-N 3.15Å
419	V	29.2	Very low	30.3	Very low	75 Å²	75	94.7 Å²	94.7	46%	0.455	52%	0.516	S	S	.	.	H	α-helix	trans	-65.7	-42.4	173.8	-178.9	0	0	0	0	111.1	I414 T415 V416 Y421 L422 S423	I414-V419 HydrophobicContact CG2-CG2 3.54Å; T415-V419 PolarHBondContact O-N 2.75Å; V416-V419 PolarHBondContact O-N 3.01Å; V419-Y421 VanDerWaalsContact C-N 3.32Å; V419-Y421 PolarHBondContact O-N 3.48Å; V419-L422 PolarHBondContact O-N 3.07Å; V419-S423 VanDerWaalsContact O-CB 3.22Å; V419-S423 WeakPolarHBondContact O-CB 3.27Å; V419-S423 PolarHBondContact O-N 2.7Å; V419-S423 PolarHBondContact O-OG 2.82Å
420	I	32.9	Very low	31	Very low	105 Å²	105	93.4 Å²	93.4	54%	0.538	51%	0.505	S	S	.	.	H	α-helix	trans	-62.7	-41	175	-69.6	168.5	0	0	0	110.5	V416 K417 S423 A424	V416-I420 HydrophobicContact CG1-CD1 3.68Å; V416-I420 HydrophobicContact CG1-CG1 4.26Å; V416-I420 WeakPolarHBondContact O-CB 3.16Å; V416-I420 WeakPolarHBondContact O-CG1 3.39Å; V416-I420 PolarHBondContact O-N 3.24Å; K417-I420 PolarHBondContact O-N 3.07Å; I420-S423 PolarHBondContact O-N 3.35Å; I420-A424 WeakPolarHBondContact O-CB 3.18Å; I420-A424 PolarHBondContact O-N 3.07Å
421	Y	35	Very low	31.9	Very low	85 Å²	85	85.6 Å²	85.6	33%	0.333	48%	0.481	S	S	.	.	H	α-helix	trans	-65.5	-43.7	179.7	-137.8	-89.2	0	0	0	111.6	K417 G418 V419 A424 N425 A475	K417-Y421 WeakPolarHBondContact O-CB 3.34Å; K417-Y421 PolarHBondContact O-N 2.88Å; G418-Y421 PolarHBondContact O-N 3.27Å; V419-Y421 VanDerWaalsContact C-N 3.32Å; V419-Y421 PolarHBondContact O-N 3.48Å; Y421-A424 PolarHBondContact O-N 3.46Å; Y421-N425 WeakPolarHBondContact O-CB 3.36Å; Y421-N425 PolarHBondContact O-N 3.23Å; Y421-N425 PolarHBondContact O-ND2 3.33Å; Y421-A475 HydrophobicContact CE2-CB 4.32Å
422	L	34.8	Very low	32.5	Very low	89 Å²	89	83.4 Å²	83.4	47%	0.466	48%	0.477	S	S	.	.	H	α-helix	trans	-69.8	-41.1	176.6	-78.2	165.3	0	0	0	112	G418 V419 A424 N425 F426 Y525	G418-L422 WeakPolarHBondContact O-CB 3.4Å; G418-L422 WeakPolarHBondContact O-CG 3.32Å; G418-L422 PolarHBondContact O-N 3.15Å; V419-L422 PolarHBondContact O-N 3.07Å; L422-A424 VanDerWaalsContact C-N 3.32Å; L422-N425 PolarHBondContact O-N 3.4Å; L422-F426 VanDerWaalsContact O-CB 3.25Å; L422-F426 WeakPolarHBondContact O-CB 3.33Å; L422-F426 PolarHBondContact O-N 3.16Å; L422-Y525 HydrophobicContact CD1-CD1 4.36Å; L422-Y525 HydrophobicContact CD1-CE1 4.35Å; L422-Y525 HydrophobicContact CD2-CE1 4.47Å
423	S	35.5	Very low	33.1	Very low	53 Å²	53	84.6 Å²	84.6	37%	0.371	46%	0.462	S	S	.	.	H	α-helix	trans	-63.3	-42.4	174.6	-56.3	0	0	0	0	110.2	V419 I420 F426 I427	V419-S423 VanDerWaalsContact O-CB 3.22Å; V419-S423 WeakPolarHBondContact O-CB 3.27Å; V419-S423 PolarHBondContact O-N 2.7Å; V419-S423 PolarHBondContact O-OG 2.82Å; I420-S423 PolarHBondContact O-N 3.35Å; S423-F426 PolarHBondContact O-N 3.44Å; S423-I427 WeakPolarHBondContact O-CB 3.12Å; S423-I427 WeakPolarHBondContact O-CD1 3.48Å; S423-I427 WeakPolarHBondContact O-CG1 3.29Å; S423-I427 PolarHBondContact O-N 3.21Å
424	A	35.9	Very low	33.7	Very low	30 Å²	30	82.9 Å²	82.9	25%	0.248	44%	0.441	C	S	.	.	H	α-helix	trans	-61.6	-48.6	173.1	0	0	0	0	0	110.8	I420 Y421 L422 F426 I427 I428	I420-A424 WeakPolarHBondContact O-CB 3.18Å; I420-A424 PolarHBondContact O-N 3.07Å; Y421-A424 PolarHBondContact O-N 3.46Å; L422-A424 VanDerWaalsContact C-N 3.32Å; A424-F426 VanDerWaalsContact C-N 3.34Å; A424-F426 PolarHBondContact O-N 3.36Å; A424-I427 PolarHBondContact O-N 2.93Å; A424-I428 HydrophobicContact CB-CD1 4.49Å; A424-I428 VanDerWaalsContact O-CB 3.23Å; A424-I428 WeakPolarHBondContact O-CB 3.29Å; A424-I428 WeakPolarHBondContact O-CD1 2.97Å; A424-I428 WeakPolarHBondContact O-CG1 3.09Å; A424-I428 PolarHBondContact O-N 3.03Å
425	N	36.7	Very low	34.3	Very low	59 Å²	59	79.7 Å²	79.7	32%	0.316	43%	0.43	S	S	.	.	H	α-helix	trans	-63.2	-37.6	178.2	-82.7	-27.5	0	0	0	113	Y421 L422 S429	Y421-N425 WeakPolarHBondContact O-CB 3.36Å; Y421-N425 PolarHBondContact O-N 3.23Å; Y421-N425 PolarHBondContact O-ND2 3.33Å; L422-N425 PolarHBondContact O-N 3.4Å; N425-S429 VanDerWaalsContact O-CB 3.22Å; N425-S429 WeakPolarHBondContact O-CB 3.34Å; N425-S429 PolarHBondContact O-N 3.48Å; N425-S429 PolarHBondContact O-OG 2.83Å
426	F	35.9	Very low	34.7	Very low	139 Å²	139	81.1 Å²	81.1	61%	0.61	43%	0.429	S	S	*	.	H	α-helix	trans	-69.1	-45.9	175.3	-179.4	-108.3	0	0	0	111.4	L422 S423 A424 S429 L430	L422-F426 VanDerWaalsContact O-CB 3.25Å; L422-F426 WeakPolarHBondContact O-CB 3.33Å; L422-F426 PolarHBondContact O-N 3.16Å; S423-F426 PolarHBondContact O-N 3.44Å; A424-F426 VanDerWaalsContact C-N 3.34Å; A424-F426 PolarHBondContact O-N 3.36Å; F426-S429 PolarHBondContact O-N 3.28Å; F426-L430 HydrophobicContact CD1-CD1 3.67Å; F426-L430 HydrophobicContact CE1-CD1 3.19Å; F426-L430 HydrophobicContact CE1-CG 4.35Å; F426-L430 HydrophobicContact CE2-CD1 4.15Å; F426-L430 HydrophobicContact CG-CD1 4.33Å; F426-L430 HydrophobicContact CZ-CD1 3.47Å; F426-L430 VanDerWaalsContact CZ-CD1 3.47Å; F426-L430 HydrophobicContact CZ-CG 4.26Å; F426-L430 WeakPolarHBondContact O-CB 3.4Å; F426-L430 PolarHBondContact O-N 3.14Å
427	I	36.4	Very low	35.1	Very low	91 Å²	91	77.5 Å²	77.5	47%	0.467	41%	0.405	S	S	.	.	H	α-helix	trans	-61.5	-44.4	174.7	-70.6	165.1	0	0	0	110.1	S423 A424 L430 I431	S423-I427 WeakPolarHBondContact O-CB 3.12Å; S423-I427 WeakPolarHBondContact O-CD1 3.48Å; S423-I427 WeakPolarHBondContact O-CG1 3.29Å; S423-I427 PolarHBondContact O-N 3.21Å; A424-I427 PolarHBondContact O-N 2.93Å; I427-L430 CarbonylContact O-C 3.45Å; I427-L430 WeakPolarHBondContact O-CB 3.48Å; I427-L430 PolarHBondContact O-N 2.91Å; I427-I431 HydrophobicContact CG2-CD1 3.6Å; I427-I431 HydrophobicContact CG2-CG1 4.23Å; I427-I431 WeakPolarHBondContact O-CB 3.48Å; I427-I431 WeakPolarHBondContact O-CG1 3.45Å; I427-I431 PolarHBondContact O-N 3.49Å
428	I	37.9	Very low	35.3	Very low	18 Å²	18	73.8 Å²	73.8	9%	0.092	39%	0.393	C	S	.	.	H	α-helix	trans	-62.2	-45.1	176	-70.3	163.1	0	0	0	110.4	A424 L430 I431 L432 L467 I470	A424-I428 HydrophobicContact CB-CD1 4.49Å; A424-I428 VanDerWaalsContact O-CB 3.23Å; A424-I428 WeakPolarHBondContact O-CB 3.29Å; A424-I428 WeakPolarHBondContact O-CD1 2.97Å; A424-I428 WeakPolarHBondContact O-CG1 3.09Å; A424-I428 PolarHBondContact O-N 3.03Å; I428-L430 VanDerWaalsContact C-N 3.32Å; I428-L430 PolarHBondContact O-N 2.93Å; I428-I431 PolarHBondContact O-N 2.8Å; I428-L432 HydrophobicContact CG2-CD1 3.75Å; I428-L432 HydrophobicContact CG2-CG 4.31Å; I428-L432 VanDerWaalsContact O-CB 3.31Å; I428-L432 WeakPolarHBondContact O-CB 3.45Å; I428-L432 VanDerWaalsContact O-CG 3.29Å; I428-L432 WeakPolarHBondContact O-CG 3.37Å; I428-L432 PolarHBondContact O-N 3.08Å; I428-L467 HydrophobicContact CG2-CD2 3.66Å; I428-I470 HydrophobicContact CD1-CD1 3.67Å; I428-I470 HydrophobicContact CD1-CG2 4.11Å; I428-I470 HydrophobicContact CG1-CD1 4.11Å
429	S	36.3	Very low	35.5	Very low	70 Å²	70	79.3 Å²	79.3	49%	0.49	41%	0.407	S	S	.	.	H	α-helix	trans	-63.5	-39.5	177.3	-62.8	0	0	0	0	111.5	N425 F426 W433	N425-S429 VanDerWaalsContact O-CB 3.22Å; N425-S429 WeakPolarHBondContact O-CB 3.34Å; N425-S429 PolarHBondContact O-N 3.48Å; N425-S429 PolarHBondContact O-OG 2.83Å; F426-S429 PolarHBondContact O-N 3.28Å; S429-W433 WeakPolarHBondContact O-CB 3.21Å; S429-W433 PolarHBondContact O-N 3.5Å
430	L	36.4	Very low	35.6	Very low	80 Å²	80	81.5 Å²	81.5	42%	0.419	41%	0.407	S	S	.	.	H	α-helix	trans	-66.3	-41.9	173.1	-91.2	163.9	0	0	0	112.2	F426 I427 I428 W433 A434	F426-L430 HydrophobicContact CD1-CD1 3.67Å; F426-L430 HydrophobicContact CE1-CD1 3.19Å; F426-L430 HydrophobicContact CE1-CG 4.35Å; F426-L430 HydrophobicContact CE2-CD1 4.15Å; F426-L430 HydrophobicContact CG-CD1 4.33Å; F426-L430 HydrophobicContact CZ-CD1 3.47Å; F426-L430 VanDerWaalsContact CZ-CD1 3.47Å; F426-L430 HydrophobicContact CZ-CG 4.26Å; F426-L430 WeakPolarHBondContact O-CB 3.4Å; F426-L430 PolarHBondContact O-N 3.14Å; I427-L430 CarbonylContact O-C 3.45Å; I427-L430 WeakPolarHBondContact O-CB 3.48Å; I427-L430 PolarHBondContact O-N 2.91Å; I428-L430 VanDerWaalsContact C-N 3.32Å; I428-L430 PolarHBondContact O-N 2.93Å; L430-W433 PolarHBondContact O-N 3.41Å; L430-A434 WeakPolarHBondContact O-CB 3.3Å; L430-A434 PolarHBondContact O-N 3.12Å
431	I	38.2	Very low	35.5	Very low	80 Å²	80	80 Å²	80	41%	0.41	40%	0.4	S	S	.	.	H	α-helix	trans	-65.3	-45	176.4	-71.1	167.2	0	0	0	109.8	I427 I428 W433 A434 A435 L463	I427-I431 HydrophobicContact CG2-CD1 3.6Å; I427-I431 HydrophobicContact CG2-CG1 4.23Å; I427-I431 WeakPolarHBondContact O-CB 3.48Å; I427-I431 WeakPolarHBondContact O-CG1 3.45Å; I427-I431 PolarHBondContact O-N 3.49Å; I428-I431 PolarHBondContact O-N 2.8Å; I431-W433 VanDerWaalsContact C-N 3.33Å; I431-W433 PolarHBondContact O-N 2.9Å; I431-A434 PolarHBondContact O-N 3.33Å; I431-A435 WeakPolarHBondContact O-CB 3.41Å; I431-A435 PolarHBondContact O-N 3.24Å; I431-L463 HydrophobicContact CG2-CD1 3.62Å
432	L	37.2	Very low	35.2	Very low	78 Å²	78	79 Å²	79	41%	0.408	40%	0.398	S	S	.	.	H	α-helix	trans	-62.2	-42.2	175.5	-76.9	167	0	0	0	111.2	I428 F436 L463	I428-L432 HydrophobicContact CG2-CD1 3.75Å; I428-L432 HydrophobicContact CG2-CG 4.31Å; I428-L432 VanDerWaalsContact O-CB 3.31Å; I428-L432 WeakPolarHBondContact O-CB 3.45Å; I428-L432 VanDerWaalsContact O-CG 3.29Å; I428-L432 WeakPolarHBondContact O-CG 3.37Å; I428-L432 PolarHBondContact O-N 3.08Å; L432-F436 VanDerWaalsContact O-CB 3.22Å; L432-F436 WeakPolarHBondContact O-CB 3.24Å; L432-F436 PolarHBondContact O-N 3.13Å; L432-L463 HydrophobicContact CD2-CD2 4Å
433	W	35.9	Very low	34.8	Very low	153 Å²	153	82.2 Å²	82.2	58%	0.58	41%	0.408	S	S	*	.	H	α-helix	trans	-67.6	-43.9	176.4	-176.4	87.1	0	0	0	111.8	S429 L430 I431 F436 Q437	S429-W433 WeakPolarHBondContact O-CB 3.21Å; S429-W433 PolarHBondContact O-N 3.5Å; L430-W433 PolarHBondContact O-N 3.41Å; I431-W433 VanDerWaalsContact C-N 3.33Å; I431-W433 PolarHBondContact O-N 2.9Å; W433-F436 CarbonylContact O-C 3.48Å; W433-F436 WeakPolarHBondContact O-CB 3.28Å; W433-F436 PolarHBondContact O-N 3.47Å; W433-Q437 HydrophobicContact CD2-CG 3.91Å; W433-Q437 VanDerWaalsContact CE2-NE2 3.29Å; W433-Q437 HydrophobicContact CE3-CG 3.96Å; W433-Q437 HydrophobicContact CH2-CG 3.8Å; W433-Q437 HydrophobicContact CZ2-CG 3.75Å; W433-Q437 HydrophobicContact CZ3-CG 3.9Å; W433-Q437 WeakPolarHBondContact O-CG 3.42Å; W433-Q437 PolarHBondContact O-N 3.08Å
434	A	36.5	Very low	34.5	Very low	39 Å²	39	86.3 Å²	86.3	32%	0.322	43%	0.425	S	S	.	.	H	α-helix	trans	-64.6	-44.9	176.6	0	0	0	0	0	111.3	L430 I431 F436 Q437 I438	L430-A434 WeakPolarHBondContact O-CB 3.3Å; L430-A434 PolarHBondContact O-N 3.12Å; I431-A434 PolarHBondContact O-N 3.33Å; A434-F436 VanDerWaalsContact C-N 3.26Å; A434-F436 PolarHBondContact O-N 3.38Å; A434-Q437 PolarHBondContact O-N 3.37Å; A434-Q437 VanDerWaalsContact O-N 3.14Å; A434-I438 WeakPolarHBondContact O-CB 3.47Å; A434-I438 VanDerWaalsContact O-CG1 3.28Å; A434-I438 WeakPolarHBondContact O-CG1 3.24Å; A434-I438 PolarHBondContact O-N 3.08Å
435	A	35.4	Very low	34.2	Very low	41 Å²	41	93.1 Å²	93.1	34%	0.339	45%	0.452	S	S	.	.	H	α-helix	trans	-60.1	-37.9	173.3	0	0	0	0	0	111.5	I431 Y439	I431-A435 WeakPolarHBondContact O-CB 3.41Å; I431-A435 PolarHBondContact O-N 3.24Å; A435-Y439 VanDerWaalsContact O-CB 3.29Å; A435-Y439 WeakPolarHBondContact O-CB 3.46Å; A435-Y439 PolarHBondContact O-N 3.04Å
436	F	34.7	Very low	33.8	Very low	116 Å²	116	93.3 Å²	93.3	51%	0.509	46%	0.456	S	S	.	.	H	α-helix	trans	-67.9	-40.4	173.4	179.2	-95.2	0	0	0	112.7	L432 W433 A434 Y439 R440	L432-F436 VanDerWaalsContact O-CB 3.22Å; L432-F436 WeakPolarHBondContact O-CB 3.24Å; L432-F436 PolarHBondContact O-N 3.13Å; W433-F436 CarbonylContact O-C 3.48Å; W433-F436 WeakPolarHBondContact O-CB 3.28Å; W433-F436 PolarHBondContact O-N 3.47Å; A434-F436 VanDerWaalsContact C-N 3.26Å; A434-F436 PolarHBondContact O-N 3.38Å; F436-Y439 PolarHBondContact O-N 3.38Å; F436-R440 WeakPolarHBondContact O-CB 3.15Å; F436-R440 PolarHBondContact O-N 2.88Å
437	Q	35.8	Very low	33.8	Very low	31 Å²	31	96.5 Å²	96.5	15%	0.145	47%	0.472	C	S	.	.	H	α-helix	trans	-66.4	-44.4	175.2	-68.4	-59.9	-15.5	0	0	111.3	W433 A434 Y439 R440 D441	W433-Q437 HydrophobicContact CD2-CG 3.91Å; W433-Q437 VanDerWaalsContact CE2-NE2 3.29Å; W433-Q437 HydrophobicContact CE3-CG 3.96Å; W433-Q437 HydrophobicContact CH2-CG 3.8Å; W433-Q437 HydrophobicContact CZ2-CG 3.75Å; W433-Q437 HydrophobicContact CZ3-CG 3.9Å; W433-Q437 WeakPolarHBondContact O-CG 3.42Å; W433-Q437 PolarHBondContact O-N 3.08Å; A434-Q437 PolarHBondContact O-N 3.37Å; A434-Q437 VanDerWaalsContact O-N 3.14Å; Q437-Y439 VanDerWaalsContact C-N 3.31Å; Q437-Y439 PolarHBondContact O-N 3.23Å; Q437-R440 PolarHBondContact O-N 2.88Å; Q437-R440 VanDerWaalsContact O-N 3.09Å; Q437-D441 WeakPolarHBondContact O-CB 3.39Å; Q437-D441 PolarHBondContact O-N 2.81Å
438	I	35.7	Very low	33.4	Very low	94 Å²	94	101.1 Å²	101.1	48%	0.482	49%	0.489	S	S	.	.	H	α-helix	trans	-56.9	-47.1	172.8	-67.3	166.1	0	0	0	109.5	A434 R440 D441 E442	A434-I438 WeakPolarHBondContact O-CB 3.47Å; A434-I438 VanDerWaalsContact O-CG1 3.28Å; A434-I438 WeakPolarHBondContact O-CG1 3.24Å; A434-I438 PolarHBondContact O-N 3.08Å; I438-R440 VanDerWaalsContact C-N 3.34Å; I438-R440 PolarHBondContact O-N 3.28Å; I438-D441 PolarHBondContact O-N 3.42Å; I438-E442 HydrophobicContact CG2-CG 4.17Å; I438-E442 VanDerWaalsContact CG2-OE1 3.28Å; I438-E442 WeakPolarHBondContact CG2-OE1 3.22Å; I438-E442 WeakPolarHBondContact O-CB 3.49Å; I438-E442 VanDerWaalsContact O-CG 3.29Å; I438-E442 WeakPolarHBondContact O-CG 3.44Å; I438-E442 PolarHBondContact O-N 3.29Å
439	Y	33.8	Very low	33.2	Very low	139 Å²	139	103.1 Å²	103.1	55%	0.545	52%	0.515	S	S	.	.	H	α-helix	trans	-62.6	-37.2	175.7	-178.9	-97	0	0	0	113.3	A435 F436 Q437 K443	A435-Y439 VanDerWaalsContact O-CB 3.29Å; A435-Y439 WeakPolarHBondContact O-CB 3.46Å; A435-Y439 PolarHBondContact O-N 3.04Å; F436-Y439 PolarHBondContact O-N 3.38Å; Q437-Y439 VanDerWaalsContact C-N 3.31Å; Q437-Y439 PolarHBondContact O-N 3.23Å; Y439-K443 VanDerWaalsContact O-CB 3.23Å; Y439-K443 WeakPolarHBondContact O-CB 3.3Å; Y439-K443 PolarHBondContact O-N 3.19Å
440	R	29.8	Very low	33.6	Very low	122 Å²	122	105.4 Å²	105.4	46%	0.46	52%	0.521	S	S	.	.	H	α-helix	trans	-70.4	-47.1	178.7	-169.6	-163.4	77.2	176	-1.5	111.5	F436 Q437 I438 L444	F436-R440 WeakPolarHBondContact O-CB 3.15Å; F436-R440 PolarHBondContact O-N 2.88Å; Q437-R440 PolarHBondContact O-N 2.88Å; Q437-R440 VanDerWaalsContact O-N 3.09Å; I438-R440 VanDerWaalsContact C-N 3.34Å; I438-R440 PolarHBondContact O-N 3.28Å; R440-L444 PolarHBondContact O-N 2.91Å
441	D	30.8	Very low	33.5	Very low	72 Å²	72	109.8 Å²	109.8	39%	0.385	54%	0.54	S	S	.	.	H	α-helix	trans	-75.7	-38	-175.2	-65.1	-12.2	0	0	0	110.3	Q437 I438 K443 L444 E445	Q437-D441 WeakPolarHBondContact O-CB 3.39Å; Q437-D441 PolarHBondContact O-N 2.81Å; I438-D441 PolarHBondContact O-N 3.42Å; D441-K443 VanDerWaalsContact C-N 3.33Å; D441-K443 PolarHBondContact O-N 2.96Å; D441-L444 WeakPolarHBondContact O-CB 3.45Å; D441-L444 PolarHBondContact O-N 2.83Å; D441-L444 VanDerWaalsContact O-N 3.12Å; D441-E445 PolarHBondContact O-N 2.7Å
442	E	30.4	Very low	33.3	Very low	64 Å²	64	112.4 Å²	112.4	30%	0.299	55%	0.545	S	S	.	.	H	α-helix	trans	-67.8	-31.1	173.9	-75.5	-175.3	-170	0	0	113.3	I438 L444 E445 T446 R456	I438-E442 HydrophobicContact CG2-CG 4.17Å; I438-E442 VanDerWaalsContact CG2-OE1 3.28Å; I438-E442 WeakPolarHBondContact CG2-OE1 3.22Å; I438-E442 WeakPolarHBondContact O-CB 3.49Å; I438-E442 VanDerWaalsContact O-CG 3.29Å; I438-E442 WeakPolarHBondContact O-CG 3.44Å; I438-E442 PolarHBondContact O-N 3.29Å; E442-L444 PolarHBondContact O-N 2.99Å; E442-E445 PolarHBondContact O-N 3.09Å; E442-T446 PolarHBondContact O-N 2.68Å; E442-T446 VanDerWaalsContact O-N 3.14Å; E442-T446 PolarHBondContact O-OG1 3.26Å; E442-R456 IonicContact OE2-CZ 3.27Å; E442-R456 VanDerWaalsContact OE2-CZ 3.27Å; E442-R456 IonicContact OE2-NE 2.89Å; E442-R456 PolarHBondContact OE2-NE 3.47Å; E442-R456 IonicContact OE2-NH2 2.89Å; E442-R456 PolarHBondContact OE2-NH2 3.25Å
443	K	26.6	Very low	33	Very low	157 Å²	157	117 Å²	117	68%	0.683	56%	0.557	S	S	*	*	H	α-helix	trans	-70	-21.5	174.8	-162.1	-176	-178.5	-164.9	0	112.1	Y439 D441	Y439-K443 VanDerWaalsContact O-CB 3.23Å; Y439-K443 WeakPolarHBondContact O-CB 3.3Å; Y439-K443 PolarHBondContact O-N 3.19Å; D441-K443 VanDerWaalsContact C-N 3.33Å; D441-K443 PolarHBondContact O-N 2.96Å
444	L	29	Very low	32.8	Very low	139 Å²	139	116.1 Å²	116.1	73%	0.728	56%	0.563	S	S	*	*	H	α-helix	trans	-80	-24.1	172.9	-78.4	163.6	0	0	0	112.5	R440 D441 E442	R440-L444 PolarHBondContact O-N 2.91Å; D441-L444 WeakPolarHBondContact O-CB 3.45Å; D441-L444 PolarHBondContact O-N 2.83Å; D441-L444 VanDerWaalsContact O-N 3.12Å; E442-L444 PolarHBondContact O-N 2.99Å
445	E	28.3	Very low	32.7	Very low	173 Å²	173	120.2 Å²	120.2	81%	0.808	58%	0.575	S	S	*	*	H	α-helix	trans	-106.3	-18.8	-173.8	-72.6	-167.3	157.8	0	0	116.4	D441 E442	D441-E445 PolarHBondContact O-N 2.7Å; E442-E445 PolarHBondContact O-N 3.09Å
446	T	28.3	Very low	32.5	Very low	63 Å²	63	122.4 Å²	122.4	39%	0.387	58%	0.575	S	S	.	*			trans	-123.6	83.8	-169	51.2	0	0	0	0	115.1	E442 K448 R456	E442-T446 PolarHBondContact O-N 2.68Å; E442-T446 VanDerWaalsContact O-N 3.14Å; E442-T446 PolarHBondContact O-OG1 3.26Å; T446-K448 PolarHBondContact O-N 2.96Å; T446-R456 PolarHBondContact OG1-NH2 3.09Å
447	E	36.7	Very low	32.5	Very low	206 Å²	206	123 Å²	123	96%	0.963	58%	0.577	S	S	*	*	S	Bend	trans	-75.1	17.2	157.7	-89.2	-171.3	162.5	0	0	113
448	K	28.3	Very low	32.7	Very low	188 Å²	188	128.4 Å²	128.4	82%	0.817	60%	0.6	S	S	*	*	S	Bend	trans	-132.7	129.2	-179.7	-73.2	-174.9	176.8	179.3	0	112.9	T446	T446-K448 PolarHBondContact O-N 2.96Å
449	G	33.2	Very low	32.7	Very low	61 Å²	61	127.8 Å²	127.8	63%	0.629	61%	0.605	S	S	*	*			trans	95.4	108.3	145	0	0	0	0	0	116.7	E451	G449-E451 PolarHBondContact O-N 3.19Å; G449-E451 VanDerWaalsContact O-N 3.14Å
450	D	43.9	Very low	32.8	Very low	118 Å²	118	127.3 Å²	127.3	63%	0.631	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-13.7	-179.3	-81.1	-53.5	0	0	0	116.1	Y452 R453	D450-Y452 PolarHBondContact O-N 3.2Å; D450-R453 VanDerWaalsContact O-CB 3.23Å; D450-R453 WeakPolarHBondContact O-CB 3.43Å; D450-R453 PolarHBondContact O-N 3.14Å; D450-R453 VanDerWaalsContact O-N 3.12Å; D450-R453 IonicContact OD1-NH1 3.83Å
451	E	36	Very low	33.2	Very low	172 Å²	172	126.2 Å²	126.2	80%	0.804	61%	0.606	S	S	*	*	H	α-helix	trans	-65.3	-39.3	-179.6	-77.2	-175.4	149.6	0	0	112.8	G449 R453 L454	G449-E451 PolarHBondContact O-N 3.19Å; G449-E451 VanDerWaalsContact O-N 3.14Å; E451-R453 PolarHBondContact O-N 3.36Å; E451-L454 PolarHBondContact O-N 3.32Å
452	Y	33.7	Very low	33.6	Very low	134 Å²	134	127 Å²	127	53%	0.525	61%	0.61	S	S	.	*	H	α-helix	trans	-65.1	-21.7	175.3	-83.9	-78.5	0	0	0	112.7	D450 L454 R456	D450-Y452 PolarHBondContact O-N 3.2Å; Y452-L454 VanDerWaalsContact C-N 3.34Å; Y452-L454 PolarHBondContact O-N 3.19Å; Y452-R456 VanDerWaalsContact O-CB 3.32Å; Y452-R456 WeakPolarHBondContact O-CB 3.16Å; Y452-R456 WeakPolarHBondContact O-CD 3.37Å; Y452-R456 WeakPolarHBondContact O-CG 3.47Å; Y452-R456 PolarHBondContact O-N 2.99Å
453	R	30.8	Very low	33.9	Very low	176 Å²	176	125 Å²	125	66%	0.664	60%	0.601	S	S	*	*	H	α-helix	trans	-69.7	-32.6	-179.3	-153.5	177.4	-176.1	173.6	-0.3	112.1	D450 E451 K457	D450-R453 VanDerWaalsContact O-CB 3.23Å; D450-R453 WeakPolarHBondContact O-CB 3.43Å; D450-R453 PolarHBondContact O-N 3.14Å; D450-R453 VanDerWaalsContact O-N 3.12Å; D450-R453 IonicContact OD1-NH1 3.83Å; E451-R453 PolarHBondContact O-N 3.36Å; R453-K457 PolarHBondContact O-N 2.91Å; R453-K457 VanDerWaalsContact O-N 3.16Å
454	L	31.7	Very low	34.3	Very low	134 Å²	134	119.7 Å²	119.7	70%	0.702	58%	0.582	S	S	*	*	H	α-helix	trans	-73.4	-43.4	176	-88.1	157.2	0	0	0	111.7	E451 Y452 R456 K457 K458	E451-L454 PolarHBondContact O-N 3.32Å; Y452-L454 VanDerWaalsContact C-N 3.34Å; Y452-L454 PolarHBondContact O-N 3.19Å; L454-R456 VanDerWaalsContact C-N 3.35Å; L454-R456 PolarHBondContact O-N 2.87Å; L454-K457 PolarHBondContact O-N 3.43Å; L454-K458 PolarHBondContact O-N 3.01Å; L454-K458 VanDerWaalsContact O-N 3.12Å
455	E	33.9	Very low	34.8	Very low	124 Å²	124	117.1 Å²	117.1	58%	0.579	57%	0.566	S	S	*	*	H	α-helix	trans	-62.4	-41.4	172.9	-96.5	-171.8	156.4	0	0	111.9	K457 K458 S459	E455-K457 VanDerWaalsContact C-N 3.34Å; E455-K457 PolarHBondContact O-N 2.85Å; E455-K458 PolarHBondContact O-N 3.48Å; E455-S459 PolarHBondContact O-N 3.49Å; E455-S459 PolarHBondContact O-OG 3.48Å
456	R	31.9	Very low	35.3	Very low	87 Å²	87	113.1 Å²	113.1	33%	0.328	55%	0.549	S	S	.	.	H	α-helix	trans	-59.4	-41.2	175.8	-76.5	170.8	-173.1	164.8	7.9	112.7	E442 T446 Y452 L454 F460	E442-R456 IonicContact OE2-CZ 3.27Å; E442-R456 VanDerWaalsContact OE2-CZ 3.27Å; E442-R456 IonicContact OE2-NE 2.89Å; E442-R456 PolarHBondContact OE2-NE 3.47Å; E442-R456 IonicContact OE2-NH2 2.89Å; E442-R456 PolarHBondContact OE2-NH2 3.25Å; T446-R456 PolarHBondContact OG1-NH2 3.09Å; Y452-R456 VanDerWaalsContact O-CB 3.32Å; Y452-R456 WeakPolarHBondContact O-CB 3.16Å; Y452-R456 WeakPolarHBondContact O-CD 3.37Å; Y452-R456 WeakPolarHBondContact O-CG 3.47Å; Y452-R456 PolarHBondContact O-N 2.99Å; L454-R456 VanDerWaalsContact C-N 3.35Å; L454-R456 PolarHBondContact O-N 2.87Å; R456-F460 WeakPolarHBondContact O-CB 3.45Å; R456-F460 PolarHBondContact O-N 3.42Å; R456-F460 VanDerWaalsContact O-N 3.16Å
457	K	34.4	Very low	35.5	Very low	128 Å²	128	111.6 Å²	111.6	56%	0.557	54%	0.539	S	S	*	.	H	α-helix	trans	-63.8	-44.2	175.6	-177	175.9	169.3	-178.4	0	110.7	R453 L454 E455 F460 E461	R453-K457 PolarHBondContact O-N 2.91Å; R453-K457 VanDerWaalsContact O-N 3.16Å; L454-K457 PolarHBondContact O-N 3.43Å; E455-K457 VanDerWaalsContact C-N 3.34Å; E455-K457 PolarHBondContact O-N 2.85Å; K457-F460 PolarHBondContact O-N 2.78Å; K457-E461 WeakPolarHBondContact CE-OE1 3.05Å; K457-E461 HydrophobicContact CG-CG 4.42Å; K457-E461 IonicContact NZ-OE1 3.81Å; K457-E461 WeakPolarHBondContact O-CB 3.49Å; K457-E461 WeakPolarHBondContact O-CG 3.07Å; K457-E461 PolarHBondContact O-N 3.34Å
458	K	38.5	Very low	35.4	Very low	145 Å²	145	106 Å²	106	63%	0.63	51%	0.513	S	S	*	.	H	α-helix	trans	-65.2	-43.2	-179.4	-142.5	176.9	-173.3	-179	0	112.8	L454 E455 F460 E461 N462	L454-K458 PolarHBondContact O-N 3.01Å; L454-K458 VanDerWaalsContact O-N 3.12Å; E455-K458 PolarHBondContact O-N 3.48Å; K458-F460 VanDerWaalsContact C-N 3.31Å; K458-F460 PolarHBondContact O-N 3.45Å; K458-E461 PolarHBondContact O-N 3.12Å; K458-N462 WeakPolarHBondContact O-CB 3.19Å; K458-N462 PolarHBondContact O-N 3.46Å
459	S	37.2	Very low	35.7	Very low	82 Å²	82	105.2 Å²	105.2	57%	0.573	50%	0.504	S	S	*	.	H	α-helix	trans	-65	-35.4	176	-68.4	0	0	0	0	112.5	E455 L463	E455-S459 PolarHBondContact O-N 3.49Å; E455-S459 PolarHBondContact O-OG 3.48Å; S459-L463 PolarHBondContact O-N 2.97Å; S459-L463 VanDerWaalsContact O-N 3.12Å
460	F	35.7	Very low	35.6	Very low	128 Å²	128	105.1 Å²	105.1	56%	0.561	49%	0.489	S	S	*	.	H	α-helix	trans	-75.3	-39.4	177.2	-170.2	-94.2	0	0	0	112.8	R456 K457 K458 L463 T464	R456-F460 WeakPolarHBondContact O-CB 3.45Å; R456-F460 PolarHBondContact O-N 3.42Å; R456-F460 VanDerWaalsContact O-N 3.16Å; K457-F460 PolarHBondContact O-N 2.78Å; K458-F460 VanDerWaalsContact C-N 3.31Å; K458-F460 PolarHBondContact O-N 3.45Å; F460-L463 PolarHBondContact O-N 3.46Å; F460-T464 PolarHBondContact O-N 3Å; F460-T464 PolarHBondContact O-OG1 3.23Å
461	E	38.5	Very low	35.1	Very low	99 Å²	99	101.6 Å²	101.6	46%	0.463	47%	0.468	S	S	.	.	H	α-helix	trans	-60.5	-45.8	172.4	-76.1	172.2	169.1	0	0	110.6	K457 K458 L463 T464 E465	K457-E461 WeakPolarHBondContact CE-OE1 3.05Å; K457-E461 HydrophobicContact CG-CG 4.42Å; K457-E461 IonicContact NZ-OE1 3.81Å; K457-E461 WeakPolarHBondContact O-CB 3.49Å; K457-E461 WeakPolarHBondContact O-CG 3.07Å; K457-E461 PolarHBondContact O-N 3.34Å; K458-E461 PolarHBondContact O-N 3.12Å; E461-L463 VanDerWaalsContact C-N 3.31Å; E461-L463 PolarHBondContact O-N 3.28Å; E461-T464 PolarHBondContact O-N 3.45Å; E461-T464 VanDerWaalsContact O-N 3.15Å; E461-E465 PolarHBondContact O-N 3.14Å
462	N	38.1	Very low	34.7	Very low	89 Å²	89	103.5 Å²	103.5	48%	0.476	47%	0.468	S	S	.	.	H	α-helix	trans	-56.8	-42.5	173.2	-81.7	-6.4	0	0	0	112.5	K458 E465 I466	K458-N462 WeakPolarHBondContact O-CB 3.19Å; K458-N462 PolarHBondContact O-N 3.46Å; N462-E465 PolarHBondContact O-N 3.42Å; N462-I466 WeakPolarHBondContact O-CD1 3.32Å; N462-I466 WeakPolarHBondContact O-CG1 3.33Å; N462-I466 PolarHBondContact O-N 3.39Å
463	L	37.3	Very low	34.4	Very low	22 Å²	22	104.5 Å²	104.5	12%	0.115	48%	0.475	C	S	.	.	H	α-helix	trans	-64.5	-41.7	177.8	-178.1	66	0	0	0	111.8	I431 L432 S459 F460 E461 I466 L467	I431-L463 HydrophobicContact CG2-CD1 3.62Å; L432-L463 HydrophobicContact CD2-CD2 4Å; S459-L463 PolarHBondContact O-N 2.97Å; S459-L463 VanDerWaalsContact O-N 3.12Å; F460-L463 PolarHBondContact O-N 3.46Å; E461-L463 VanDerWaalsContact C-N 3.31Å; E461-L463 PolarHBondContact O-N 3.28Å; L463-I466 PolarHBondContact O-N 3.09Å; L463-L467 HydrophobicContact CG-CD1 4.42Å; L463-L467 VanDerWaalsContact O-CG 3.3Å; L463-L467 WeakPolarHBondContact O-CG 3.5Å; L463-L467 PolarHBondContact O-N 3.25Å
464	T	35.6	Very low	34.3	Very low	45 Å²	45	103.8 Å²	103.8	28%	0.276	48%	0.484	S	S	.	.	H	α-helix	trans	-65.1	-42.2	178.7	-44.9	0	0	0	0	110.6	F460 E461 I466 L467 E468	F460-T464 PolarHBondContact O-N 3Å; F460-T464 PolarHBondContact O-OG1 3.23Å; E461-T464 PolarHBondContact O-N 3.45Å; E461-T464 VanDerWaalsContact O-N 3.15Å; T464-I466 VanDerWaalsContact C-N 3.34Å; T464-I466 PolarHBondContact O-N 2.72Å; T464-L467 WeakPolarHBondContact O-CB 3.37Å; T464-L467 PolarHBondContact O-N 3.19Å; T464-E468 PolarHBondContact O-N 3.22Å
465	E	38.1	Very low	34.2	Very low	86 Å²	86	99.3 Å²	99.3	40%	0.402	47%	0.467	S	S	.	.	H	α-helix	trans	-64.5	-36.9	175.9	-149	-167.2	156.1	0	0	112.1	E461 N462 R469	E461-E465 PolarHBondContact O-N 3.14Å; N462-E465 PolarHBondContact O-N 3.42Å; E465-R469 WeakPolarHBondContact O-CB 3.21Å; E465-R469 VanDerWaalsContact O-CG 3.3Å; E465-R469 WeakPolarHBondContact O-CG 3.15Å; E465-R469 PolarHBondContact O-N 3.26Å; E465-R469 IonicContact OE1-CZ 3.58Å; E465-R469 IonicContact OE1-NE 3.43Å; E465-R469 IonicContact OE1-NH2 2.77Å; E465-R469 PolarHBondContact OE1-NH2 2.91Å
466	I	38.7	Very low	34	Very low	89 Å²	89	96 Å²	96	46%	0.456	46%	0.461	S	S	.	.	H	α-helix	trans	-62.8	-45.2	172.3	-71.8	164.2	0	0	0	110.5	N462 L463 T464 R469 I470	N462-I466 WeakPolarHBondContact O-CD1 3.32Å; N462-I466 WeakPolarHBondContact O-CG1 3.33Å; N462-I466 PolarHBondContact O-N 3.39Å; L463-I466 PolarHBondContact O-N 3.09Å; T464-I466 VanDerWaalsContact C-N 3.34Å; T464-I466 PolarHBondContact O-N 2.72Å; I466-R469 PolarHBondContact O-N 3.36Å; I466-I470 HydrophobicContact CG2-CD1 3.6Å; I466-I470 HydrophobicContact CG2-CG1 4.41Å; I466-I470 WeakPolarHBondContact O-CD1 3.21Å; I466-I470 WeakPolarHBondContact O-CG1 3.35Å; I466-I470 PolarHBondContact O-N 2.72Å
467	L	33.3	Very low	34.1	Very low	30 Å²	30	93.3 Å²	93.3	16%	0.157	46%	0.46	C	S	.	.	H	α-helix	trans	-62	-49.2	178.1	-68.2	169.8	0	0	0	110.6	I428 L463 T464 R469 I470 F471	I428-L467 HydrophobicContact CG2-CD2 3.66Å; L463-L467 HydrophobicContact CG-CD1 4.42Å; L463-L467 VanDerWaalsContact O-CG 3.3Å; L463-L467 WeakPolarHBondContact O-CG 3.5Å; L463-L467 PolarHBondContact O-N 3.25Å; T464-L467 WeakPolarHBondContact O-CB 3.37Å; T464-L467 PolarHBondContact O-N 3.19Å; L467-R469 VanDerWaalsContact C-N 3.32Å; L467-R469 PolarHBondContact O-N 3.35Å; L467-I470 PolarHBondContact O-N 3.2Å; L467-I470 VanDerWaalsContact O-N 3.11Å; L467-F471 HydrophobicContact CB-CD2 4.26Å; L467-F471 HydrophobicContact CB-CE2 4.01Å; L467-F471 HydrophobicContact CD2-CE2 3.9Å; L467-F471 HydrophobicContact CD2-CZ 4.47Å; L467-F471 WeakPolarHBondContact O-CD2 3.28Å; L467-F471 PolarHBondContact O-N 3.24Å
468	E	34.5	Very low	34	Very low	90 Å²	90	89.1 Å²	89.1	42%	0.421	45%	0.445	S	S	.	.	H	α-helix	trans	-57.2	-42.2	175.6	-75.1	-178.5	175.1	0	0	112.5	T464 I470 F471 R472	T464-E468 PolarHBondContact O-N 3.22Å; E468-I470 VanDerWaalsContact C-N 3.33Å; E468-I470 PolarHBondContact O-N 2.88Å; E468-F471 PolarHBondContact O-N 2.85Å; E468-R472 PolarHBondContact O-N 2.99Å
469	R	34.5	Very low	33.9	Very low	170 Å²	170	85.5 Å²	85.5	64%	0.642	43%	0.429	S	S	*	.	H	α-helix	trans	-65.1	-35.1	176.4	-77.2	179.9	-169.7	-168.1	6.9	113	E465 I466 L467	E465-R469 WeakPolarHBondContact O-CB 3.21Å; E465-R469 VanDerWaalsContact O-CG 3.3Å; E465-R469 WeakPolarHBondContact O-CG 3.15Å; E465-R469 PolarHBondContact O-N 3.26Å; E465-R469 IonicContact OE1-CZ 3.58Å; E465-R469 IonicContact OE1-NE 3.43Å; E465-R469 IonicContact OE1-NH2 2.77Å; E465-R469 PolarHBondContact OE1-NH2 2.91Å; I466-R469 PolarHBondContact O-N 3.36Å; L467-R469 VanDerWaalsContact C-N 3.32Å; L467-R469 PolarHBondContact O-N 3.35Å
470	I	31.9	Very low	33.5	Very low	59 Å²	59	86.3 Å²	86.3	30%	0.303	43%	0.427	S	S	.	.	H	α-helix	trans	-71.8	-40.8	179.3	-69.9	166.8	0	0	0	110.6	I428 I466 L467 E468	I428-I470 HydrophobicContact CD1-CD1 3.67Å; I428-I470 HydrophobicContact CD1-CG2 4.11Å; I428-I470 HydrophobicContact CG1-CD1 4.11Å; I466-I470 HydrophobicContact CG2-CD1 3.6Å; I466-I470 HydrophobicContact CG2-CG1 4.41Å; I466-I470 WeakPolarHBondContact O-CD1 3.21Å; I466-I470 WeakPolarHBondContact O-CG1 3.35Å; I466-I470 PolarHBondContact O-N 2.72Å; L467-I470 PolarHBondContact O-N 3.2Å; L467-I470 VanDerWaalsContact O-N 3.11Å; E468-I470 VanDerWaalsContact C-N 3.33Å; E468-I470 PolarHBondContact O-N 2.88Å
471	F	33.1	Very low	33.2	Very low	45 Å²	45	81.6 Å²	81.6	20%	0.197	41%	0.409	C	S	.	.	H	α-helix	trans	-84.6	-4.9	-175.2	-61.9	-59.3	0	0	0	115	L467 E468 K473	L467-F471 HydrophobicContact CB-CD2 4.26Å; L467-F471 HydrophobicContact CB-CE2 4.01Å; L467-F471 HydrophobicContact CD2-CE2 3.9Å; L467-F471 HydrophobicContact CD2-CZ 4.47Å; L467-F471 WeakPolarHBondContact O-CD2 3.28Å; L467-F471 PolarHBondContact O-N 3.24Å; E468-F471 PolarHBondContact O-N 2.85Å; F471-K473 PolarHBondContact O-N 2.73Å
472	R	28	Very low	32.8	Very low	211 Å²	211	82.7 Å²	82.7	80%	0.796	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	0	169.7	-88.1	-172.7	-177.4	-164.8	1.7	115.1	E468	E468-R472 PolarHBondContact O-N 2.99Å
473	K	27	Very low	32.3	Very low	155 Å²	155	79.9 Å²	79.9	67%	0.674	40%	0.396	S	S	*	.	S	Bend	trans	-109.3	94.7	-179.3	-73.4	-170.3	175.5	-177.9	0	112	F471 A475	F471-K473 PolarHBondContact O-N 2.73Å; K473-A475 PolarHBondContact O-N 2.94Å
474	D	28	Very low	31.9	Very low	161 Å²	161	82.5 Å²	82.5	86%	0.861	41%	0.411	S	S	*	.	S	Bend	trans	36.2	18.9	145.1	-50.1	-30.7	0	0	0	121.5
475	A	29.4	Very low	31.5	Very low	41 Å²	41	86.2 Å²	86.2	34%	0.339	44%	0.439	S	S	.	.			trans	-121.9	114.9	-177.4	0	0	0	0	0	111.8	Y421 K473 G477	Y421-A475 HydrophobicContact CE2-CB 4.32Å; K473-A475 PolarHBondContact O-N 2.94Å; A475-G477 PolarHBondContact O-N 2.87Å
476	A	30.8	Very low	31	Very low	54 Å²	54	85.4 Å²	85.4	45%	0.446	44%	0.437	S	S	.	.			trans	-54.3	134.2	163.3	0	0	0	0	0	109.8
477	G	34.1	Very low	30.5	Very low	30 Å²	30	87.9 Å²	87.9	31%	0.309	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.6	-171.6	0	0	0	0	0	112.6	A475 F507	A475-G477 PolarHBondContact O-N 2.87Å; G477-F507 WeakPolarHBondContact O-CB 3.48Å
478	V	32.7	Very low	30.3	Very low	41 Å²	41	92.5 Å²	92.5	25%	0.248	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.4	169.9	-178.5	0	0	0	0	109.2	I508 L524 L533	V478-I508 HydrophobicContact CG1-CB 4.4Å; V478-L524 HydrophobicContact CB-CD2 3.56Å; V478-L524 HydrophobicContact CG1-CD1 4.49Å; V478-L524 HydrophobicContact CG1-CD2 3.65Å; V478-L524 HydrophobicContact CG2-CD2 3.88Å; V478-L533 HydrophobicContact CG2-CD1 3.78Å
479	F	34.6	Very low	30.1	Very low	68 Å²	68	88.7 Å²	88.7	30%	0.298	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	108.9	179	-88.6	-89.6	0	0	0	111.1	T481 F500 I508 L509	F479-T481 HydrophobicContact CB-CG2 4.22Å; F479-T481 PolarHBondContact O-N 3.46Å; F479-F500 HydrophobicContact CD2-CE2 4.23Å; F479-F500 HydrophobicContact CD2-CZ 4.38Å; F479-F500 HydrophobicContact CE1-CE2 4.44Å; F479-F500 HydrophobicContact CE2-CD2 4.37Å; F479-F500 HydrophobicContact CE2-CE1 4.11Å; F479-F500 AromaticContact CE2-CE2 3.38Å; F479-F500 HydrophobicContact CE2-CE2 3.38Å; F479-F500 AromaticContact CE2-CZ 3.23Å; F479-F500 HydrophobicContact CE2-CZ 3.23Å; F479-F500 AromaticContact CZ-CE2 3.51Å; F479-F500 HydrophobicContact CZ-CE2 3.51Å; F479-F500 AromaticContact CZ-CZ 3.38Å; F479-F500 HydrophobicContact CZ-CZ 3.38Å; F479-I508 PolarHBondContact N-O 2.81Å; F479-L509 HydrophobicContact CB-CD2 4.24Å
480	L	30.2	Very low	29.9	Very low	99 Å²	99	83.7 Å²	83.7	52%	0.518	44%	0.437	S	S	.	.			trans	-83.5	91.5	169.2	-63.4	177.4	0	0	0	109.4	I514 F520 L524	L480-I514 HydrophobicContact CD2-CD1 3.27Å; L480-I514 HydrophobicContact CD2-CG1 4.47Å; L480-F520 HydrophobicContact CD2-CE1 4.35Å; L480-L524 HydrophobicContact CD1-CD1 4.09Å; L480-L524 HydrophobicContact CD2-CD1 3.95Å; L480-L524 HydrophobicContact CG-CD1 4.27Å
481	T	29.8	Very low	29.9	Very low	30 Å²	30	85.9 Å²	85.9	18%	0.184	44%	0.441	C	S	.	.			trans	-110.7	129	171.1	97.5	0	0	0	0	109.3	F479 L483 L509	F479-T481 HydrophobicContact CB-CG2 4.22Å; F479-T481 PolarHBondContact O-N 3.46Å; T481-L483 PolarHBondContact O-N 2.86Å; T481-L483 WeakPolarHBondContact OG1-CD2 3.36Å; T481-L483 WeakPolarHBondContact OG1-CG 3.25Å; T481-L509 HydrophobicContact CG2-CD2 4.1Å
482	K	28.6	Very low	29.9	Very low	122 Å²	122	88.7 Å²	88.7	53%	0.53	46%	0.458	S	S	.	.			trans	-69.9	88.1	163.2	-175.2	171.4	-176.2	152.7	0	106.2	N484 D513	K482-N484 WeakPolarHBondContact CE-OD1 3.47Å; K482-N484 WeakPolarHBondContact CG-OD1 3.43Å; K482-N484 PolarHBondContact O-N 3.47Å; K482-D513 IonicContact NZ-OD2 3.36Å; K482-D513 PolarHBondContact NZ-OD2 2.99Å
483	L	28.9	Very low	30.2	Very low	29 Å²	29	80.4 Å²	80.4	15%	0.152	43%	0.429	C	S	.	.			trans	-69.5	74	164	-66.3	173	0	0	0	106.7	T481 S485 G489 L493	T481-L483 PolarHBondContact O-N 2.86Å; T481-L483 WeakPolarHBondContact OG1-CD2 3.36Å; T481-L483 WeakPolarHBondContact OG1-CG 3.25Å; L483-S485 PolarHBondContact O-N 2.87Å; L483-G489 WeakPolarHBondContact CD2-O 3.24Å; L483-L493 HydrophobicContact CD1-CD1 4.21Å; L483-L493 HydrophobicContact CD2-CB 4.15Å; L483-L493 HydrophobicContact CD2-CD1 4.32Å
484	N	28	Very low	30.5	Very low	77 Å²	77	76.4 Å²	76.4	41%	0.412	42%	0.415	S	S	.	.			trans	-51.6	133.9	149.8	-76	-16.4	0	0	0	105.1	K482 D486	K482-N484 WeakPolarHBondContact CE-OD1 3.47Å; K482-N484 WeakPolarHBondContact CG-OD1 3.43Å; K482-N484 PolarHBondContact O-N 3.47Å; N484-D486 VanDerWaalsContact CB-OD2 3.28Å; N484-D486 WeakPolarHBondContact CB-OD2 3.33Å; N484-D486 PolarHBondContact O-N 3.48Å
485	S	27.3	Very low	30.7	Very low	124 Å²	124	75.7 Å²	75.7	87%	0.867	40%	0.4	S	S	*	.	S	Bend	trans	-64.4	20.9	176.6	37.1	0	0	0	0	113.2	L483	L483-S485 PolarHBondContact O-N 2.87Å
486	D	27.3	Very low	30.9	Very low	69 Å²	69	75.1 Å²	75.1	37%	0.369	39%	0.393	S	S	.	.	S	Bend	trans	-77.1	149.8	170.6	58.1	35.6	0	0	0	110.8	N484 L488 G489 L490	N484-D486 VanDerWaalsContact CB-OD2 3.28Å; N484-D486 WeakPolarHBondContact CB-OD2 3.33Å; N484-D486 PolarHBondContact O-N 3.48Å; D486-L488 PolarHBondContact O-N 3.25Å; D486-G489 PolarHBondContact O-N 3.13Å; D486-G489 VanDerWaalsContact O-N 3.14Å; D486-G489 PolarHBondContact OD1-N 3.07Å; D486-L490 PolarHBondContact O-N 3Å
487	Y	27.6	Very low	31	Very low	141 Å²	141	74.5 Å²	74.5	55%	0.553	38%	0.381	S	S	*	.	H	α-helix	trans	-54.3	-25.7	-179.3	-178.8	-101.5	0	0	0	113.1	R491 R626	Y487-R491 VanDerWaalsContact O-CB 3.29Å; Y487-R491 WeakPolarHBondContact O-CB 3.27Å; Y487-R491 PolarHBondContact O-N 2.88Å; Y487-R491 VanDerWaalsContact O-N 3.09Å; Y487-R626 PolarHBondContact OH-NH1 3.2Å
488	L	29.1	Very low	30.8	Very low	126 Å²	126	76.4 Å²	76.4	66%	0.66	38%	0.384	S	S	*	.	H	α-helix	trans	-71.4	-46.9	178.7	-79.3	154.7	0	0	0	112	D486 R491 L492	D486-L488 PolarHBondContact O-N 3.25Å; L488-R491 PolarHBondContact O-N 3.35Å; L488-L492 PolarHBondContact O-N 2.86Å
489	G	30.6	Very low	30.7	Very low	11 Å²	11	77.1 Å²	77.1	11%	0.113	39%	0.389	C	S	.	.	H	α-helix	trans	-60.4	-44.3	175.9	0	0	0	0	0	112.4	L483 D486 R491 L492 L493	L483-G489 WeakPolarHBondContact CD2-O 3.24Å; D486-G489 PolarHBondContact O-N 3.13Å; D486-G489 VanDerWaalsContact O-N 3.14Å; D486-G489 PolarHBondContact OD1-N 3.07Å; G489-R491 VanDerWaalsContact C-N 3.34Å; G489-R491 PolarHBondContact O-N 2.96Å; G489-L492 PolarHBondContact O-N 2.82Å; G489-L493 WeakPolarHBondContact O-CB 3.49Å; G489-L493 PolarHBondContact O-N 2.74Å
490	L	31.6	Very low	30.5	Very low	65 Å²	65	75.9 Å²	75.9	34%	0.34	38%	0.383	S	S	.	.	H	α-helix	trans	-65.9	-33.6	176.7	-69.3	172.2	0	0	0	113	D486 L493 N494	D486-L490 PolarHBondContact O-N 3Å; L490-L493 WeakPolarHBondContact O-CB 3.38Å; L490-N494 WeakPolarHBondContact O-CB 3.27Å; L490-N494 PolarHBondContact O-N 2.74Å
491	R	31	Very low	30.3	Very low	105 Å²	105	73.3 Å²	73.3	40%	0.396	37%	0.373	S	S	.	.	H	α-helix	trans	-74.8	-34.6	176.6	-165.3	178.6	-176.8	-173.4	1.5	112.2	Y487 L488 G489 N494 R495	Y487-R491 VanDerWaalsContact O-CB 3.29Å; Y487-R491 WeakPolarHBondContact O-CB 3.27Å; Y487-R491 PolarHBondContact O-N 2.88Å; Y487-R491 VanDerWaalsContact O-N 3.09Å; L488-R491 PolarHBondContact O-N 3.35Å; G489-R491 VanDerWaalsContact C-N 3.34Å; G489-R491 PolarHBondContact O-N 2.96Å; R491-N494 PolarHBondContact O-N 3.42Å; R491-R495 PolarHBondContact O-N 3.13Å
492	L	33.1	Very low	30.3	Very low	104 Å²	104	77.8 Å²	77.8	55%	0.545	40%	0.395	S	S	.	.	H	α-helix	trans	-62.4	-50.6	171.2	-154.9	90.3	0	0	0	109.1	L488 G489 N494 R495 T496	L488-L492 PolarHBondContact O-N 2.86Å; G489-L492 PolarHBondContact O-N 2.82Å; L492-N494 VanDerWaalsContact C-N 3.32Å; L492-N494 PolarHBondContact O-N 2.92Å; L492-R495 PolarHBondContact O-N 3.1Å; L492-T496 WeakPolarHBondContact O-CB 3.5Å; L492-T496 PolarHBondContact O-N 3.39Å; L492-T496 PolarHBondContact O-OG1 3.29Å
493	L	35.3	Very low	30.4	Very low	36 Å²	36	74 Å²	74	19%	0.188	38%	0.382	C	S	.	.	H	α-helix	trans	-50.4	-51	174.1	-170.2	80	0	0	0	111.4	L483 G489 L490 R495 T496 M497 L509	L483-L493 HydrophobicContact CD1-CD1 4.21Å; L483-L493 HydrophobicContact CD2-CB 4.15Å; L483-L493 HydrophobicContact CD2-CD1 4.32Å; G489-L493 WeakPolarHBondContact O-CB 3.49Å; G489-L493 PolarHBondContact O-N 2.74Å; L490-L493 WeakPolarHBondContact O-CB 3.38Å; L493-R495 VanDerWaalsContact C-N 3.32Å; L493-R495 PolarHBondContact O-N 3.25Å; L493-T496 WeakPolarHBondContact O-CB 3.49Å; L493-T496 PolarHBondContact O-N 2.98Å; L493-M497 WeakPolarHBondContact O-CB 3.15Å; L493-M497 WeakPolarHBondContact O-CG 3.45Å; L493-M497 PolarHBondContact O-N 3.23Å; L493-L509 HydrophobicContact CD1-CD1 3.55Å; L493-L509 HydrophobicContact CD1-CD2 3.8Å; L493-L509 HydrophobicContact CD1-CG 4.32Å
494	N	32.1	Very low	30.4	Very low	71 Å²	71	80.5 Å²	80.5	38%	0.38	41%	0.412	S	S	.	.	H	α-helix	trans	-61.3	-38.1	179.9	-160.5	45	0	0	0	112.8	L490 R491 L492 N498	L490-N494 WeakPolarHBondContact O-CB 3.27Å; L490-N494 PolarHBondContact O-N 2.74Å; R491-N494 PolarHBondContact O-N 3.42Å; L492-N494 VanDerWaalsContact C-N 3.32Å; L492-N494 PolarHBondContact O-N 2.92Å; N494-N498 PolarHBondContact O-N 3.27Å; N494-N498 VanDerWaalsContact O-N 3.12Å; N494-N498 PolarHBondContact O-OD1 3.31Å
495	R	32.6	Very low	30.7	Very low	146 Å²	146	80 Å²	80	55%	0.551	41%	0.409	S	S	*	.	H	α-helix	trans	-73.6	-38.4	176.8	-78.4	-178.6	169.9	-178.4	-6.4	112.6	R491 L492 L493 N498 T499	R491-R495 PolarHBondContact O-N 3.13Å; L492-R495 PolarHBondContact O-N 3.1Å; L493-R495 VanDerWaalsContact C-N 3.32Å; L493-R495 PolarHBondContact O-N 3.25Å; R495-N498 PolarHBondContact O-N 3.1Å; R495-T499 PolarHBondContact O-N 3.22Å; R495-T499 PolarHBondContact O-OG1 2.84Å
496	T	34.3	Very low	31.2	Very low	30 Å²	30	74.5 Å²	74.5	18%	0.184	37%	0.37	C	S	.	.	H	α-helix	trans	-59.2	-50	173.2	-57.7	0	0	0	0	109.3	L492 L493 N498 T499 F500	L492-T496 WeakPolarHBondContact O-CB 3.5Å; L492-T496 PolarHBondContact O-N 3.39Å; L492-T496 PolarHBondContact O-OG1 3.29Å; L493-T496 WeakPolarHBondContact O-CB 3.49Å; L493-T496 PolarHBondContact O-N 2.98Å; T496-N498 VanDerWaalsContact C-N 3.32Å; T496-N498 PolarHBondContact O-N 2.96Å; T496-T499 PolarHBondContact O-N 2.91Å; T496-F500 HydrophobicContact CG2-CD2 3.6Å; T496-F500 HydrophobicContact CG2-CE2 3.53Å; T496-F500 WeakPolarHBondContact O-CD2 3.46Å; T496-F500 PolarHBondContact O-N 2.99Å
497	M	33	Very low	31.8	Very low	41 Å²	41	72.3 Å²	72.3	20%	0.202	36%	0.358	C	S	.	.	H	α-helix	trans	-54.3	-44.5	173.6	-68.2	-64.9	-67.2	0	0	112.5	L493 T499 F500 S501 F507 F547	L493-M497 WeakPolarHBondContact O-CB 3.15Å; L493-M497 WeakPolarHBondContact O-CG 3.45Å; L493-M497 PolarHBondContact O-N 3.23Å; M497-T499 VanDerWaalsContact C-N 3.29Å; M497-T499 PolarHBondContact O-N 3.21Å; M497-F500 PolarHBondContact O-N 3.22Å; M497-S501 PolarHBondContact O-N 2.04Å; M497-F507 HydrophobicContact CE-CZ 3.92Å; M497-F507 HydrophobicContact SD-CE1 4.38Å; M497-F507 HydrophobicContact SD-CE2 3.79Å; M497-F507 HydrophobicContact SD-CZ 3.33Å; M497-F507 WeakPolarHBondContact SD-CZ 3.39Å; M497-F547 HydrophobicContact CE-CD1 4.09Å; M497-F547 HydrophobicContact CE-CE1 3.85Å; M497-F547 HydrophobicContact CE-CZ 4.29Å; M497-F547 HydrophobicContact SD-CE1 4.5Å; M497-F547 HydrophobicContact SD-CZ 4.4Å
498	N	30	Very low	32.3	Very low	69 Å²	69	65.7 Å²	65.7	37%	0.369	33%	0.332	S	S	.	.	H	α-helix	trans	-68.4	-24.1	177.1	-74.9	20.8	0	0	0	113.9	N494 R495 T496 S501	N494-N498 PolarHBondContact O-N 3.27Å; N494-N498 VanDerWaalsContact O-N 3.12Å; N494-N498 PolarHBondContact O-OD1 3.31Å; R495-N498 PolarHBondContact O-N 3.1Å; T496-N498 VanDerWaalsContact C-N 3.32Å; T496-N498 PolarHBondContact O-N 2.96Å; N498-S501 PolarHBondContact O-OG 2.83Å; N498-S501 VanDerWaalsContact O-OG 3.11Å
499	T	28.8	Very low	33	Very low	57 Å²	57	60 Å²	60	35%	0.35	30%	0.302	S	S	.	.	H	α-helix	trans	-82.6	-32.9	176.9	-43.3	0	0	0	0	110.8	R495 T496 M497	R495-T499 PolarHBondContact O-N 3.22Å; R495-T499 PolarHBondContact O-OG1 2.84Å; T496-T499 PolarHBondContact O-N 2.91Å; M497-T499 VanDerWaalsContact C-N 3.29Å; M497-T499 PolarHBondContact O-N 3.21Å
500	F	30.9	Very low	33.4	Very low	42 Å²	42	59.7 Å²	59.7	18%	0.184	30%	0.298	C	S	.	.	H	α-helix	trans	-89.8	-10.7	-179.4	-72.9	-68.2	0	0	0	114.5	F479 T496 M497 I502 T503	F479-F500 HydrophobicContact CD2-CE2 4.23Å; F479-F500 HydrophobicContact CD2-CZ 4.38Å; F479-F500 HydrophobicContact CE1-CE2 4.44Å; F479-F500 HydrophobicContact CE2-CD2 4.37Å; F479-F500 HydrophobicContact CE2-CE1 4.11Å; F479-F500 AromaticContact CE2-CE2 3.38Å; F479-F500 HydrophobicContact CE2-CE2 3.38Å; F479-F500 AromaticContact CE2-CZ 3.23Å; F479-F500 HydrophobicContact CE2-CZ 3.23Å; F479-F500 AromaticContact CZ-CE2 3.51Å; F479-F500 HydrophobicContact CZ-CE2 3.51Å; F479-F500 AromaticContact CZ-CZ 3.38Å; F479-F500 HydrophobicContact CZ-CZ 3.38Å; T496-F500 HydrophobicContact CG2-CD2 3.6Å; T496-F500 HydrophobicContact CG2-CE2 3.53Å; T496-F500 WeakPolarHBondContact O-CD2 3.46Å; T496-F500 PolarHBondContact O-N 2.99Å; M497-F500 PolarHBondContact O-N 3.22Å; F500-I502 PolarHBondContact O-N 2.89Å; F500-T503 PolarHBondContact O-N 3.36Å; F500-T503 PolarHBondContact O-OG1 2.88Å; F500-T503 VanDerWaalsContact O-OG1 3.08Å
501	S	27.2	Very low	33.8	Very low	44 Å²	44	60.7 Å²	60.7	31%	0.308	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-13.8	172.6	72.9	0	0	0	0	113.6	M497 N498 V617	M497-S501 PolarHBondContact O-N 2.04Å; N498-S501 PolarHBondContact O-OG 2.83Å; N498-S501 VanDerWaalsContact O-OG 3.11Å; S501-V617 VanDerWaalsContact CB-CG1 3.45Å
502	I	28.3	Very low	34.1	Very low	125 Å²	125	61.9 Å²	61.9	64%	0.641	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-14.4	177.2	-54.5	176.9	0	0	0	112	F500	F500-I502 PolarHBondContact O-N 2.89Å
503	T	31.6	Very low	34.1	Very low	41 Å²	41	60.1 Å²	60.1	25%	0.252	30%	0.303	S	S	.	.			trans	-114.1	125.8	-174.1	62.5	0	0	0	0	111.4	F500 N505	F500-T503 PolarHBondContact O-N 3.36Å; F500-T503 PolarHBondContact O-OG1 2.88Å; F500-T503 VanDerWaalsContact O-OG1 3.08Å; T503-N505 PolarHBondContact O-N 3.48Å
504	E	29.4	Very low	34	Very low	167 Å²	167	59 Å²	59	78%	0.78	30%	0.297	S	S	*	.			trans	-65.7	23.8	175.1	-62.7	-177.5	157.3	0	0	114	P549	E504-P549 VanDerWaalsContact O-CG 3.28Å; E504-P549 WeakPolarHBondContact O-CG 3.25Å
505	N	32.9	Very low	33.9	Very low	65 Å²	65	64.4 Å²	64.4	35%	0.348	31%	0.312	S	S	.	.			trans	-103.7	135.3	-166.2	-66.5	-26.1	0	0	0	112.6	T503	T503-N505 PolarHBondContact O-N 3.48Å
506	S	37.6	Very low	34	Very low	9 Å²	9	62.5 Å²	62.5	6%	0.063	32%	0.321	C	S	.	.			trans	-67.4	142	177.4	-59.7	0	0	0	0	113.5	L548 P549	S506-L548 WeakPolarHBondContact OG-CD2 3.39Å; S506-P549 VanDerWaalsContact OG-CD 3.24Å; S506-P549 WeakPolarHBondContact OG-CD 3.41Å
507	F	41.3	Very low	34	Very low	24 Å²	24	63.3 Å²	63.3	11%	0.105	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	150	175.2	66.8	-84.4	0	0	0	114.6	G477 M497 L509 F547 L612	G477-F507 WeakPolarHBondContact O-CB 3.48Å; M497-F507 HydrophobicContact CE-CZ 3.92Å; M497-F507 HydrophobicContact SD-CE1 4.38Å; M497-F507 HydrophobicContact SD-CE2 3.79Å; M497-F507 HydrophobicContact SD-CZ 3.33Å; M497-F507 WeakPolarHBondContact SD-CZ 3.39Å; F507-L509 HydrophobicContact CD2-CD1 3.94Å; F507-L509 HydrophobicContact CD2-CG 4.25Å; F507-L509 HydrophobicContact CE2-CD1 3.61Å; F507-L509 HydrophobicContact CE2-CG 4.4Å; F507-F547 HydrophobicContact CD1-CB 3.9Å; F507-F547 HydrophobicContact CD2-CB 4.14Å; F507-F547 AromaticContact CD2-CD2 3.85Å; F507-F547 HydrophobicContact CD2-CD2 3.85Å; F507-F547 HydrophobicContact CD2-CG 4.34Å; F507-F547 HydrophobicContact CE1-CB 3.34Å; F507-F547 HydrophobicContact CE1-CD2 4.33Å; F507-F547 AromaticContact CE1-CG 3.91Å; F507-F547 HydrophobicContact CE1-CG 3.91Å; F507-F547 HydrophobicContact CE2-CB 3.65Å; F507-F547 HydrophobicContact CE2-CD1 4.43Å; F507-F547 AromaticContact CE2-CD2 3.03Å; F507-F547 HydrophobicContact CE2-CD2 3.03Å; F507-F547 AromaticContact CE2-CE2 3.7Å; F507-F547 HydrophobicContact CE2-CE2 3.7Å; F507-F547 AromaticContact CE2-CG 3.47Å; F507-F547 HydrophobicContact CE2-CG 3.47Å; F507-F547 VanDerWaalsContact CE2-CG 3.47Å; F507-F547 HydrophobicContact CG-CB 4.25Å; F507-F547 HydrophobicContact CZ-CB 3.18Å; F507-F547 AromaticContact CZ-CD1 3.88Å; F507-F547 HydrophobicContact CZ-CD1 3.88Å; F507-F547 AromaticContact CZ-CD2 3.32Å; F507-F547 HydrophobicContact CZ-CD2 3.32Å; F507-F547 HydrophobicContact CZ-CE2 4.07Å; F507-F547 AromaticContact CZ-CG 3.18Å; F507-F547 HydrophobicContact CZ-CG 3.18Å; F507-F547 PolarHBondContact N-O 3.22Å; F507-F547 VanDerWaalsContact N-O 3.13Å; F507-F547 PolarHBondContact O-N 3.47Å; F507-L612 HydrophobicContact CE1-CD1 3.85Å; F507-L612 HydrophobicContact CZ-CD1 4.32Å
508	I	38.4	Very low	34.2	Very low	1 Å²	1	66.9 Å²	66.9	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.9	178.4	-62.6	177.3	0	0	0	109.2	V478 F479 V510 P530 L533 V546	V478-I508 HydrophobicContact CG1-CB 4.4Å; F479-I508 PolarHBondContact N-O 2.81Å; I508-V510 HydrophobicContact CG2-CG2 3.71Å; I508-P530 HydrophobicContact CD1-CB 3.74Å; I508-P530 WeakPolarHBondContact CD1-O 3.21Å; I508-P530 HydrophobicContact CG1-CB 4.3Å; I508-L533 HydrophobicContact CD1-CB 3.96Å; I508-V546 HydrophobicContact CB-CG2 4.37Å; I508-V546 HydrophobicContact CD1-CG2 4.45Å; I508-V546 HydrophobicContact CG1-CB 4.41Å; I508-V546 HydrophobicContact CG1-CG1 3.81Å; I508-V546 HydrophobicContact CG1-CG2 3.88Å; I508-V546 HydrophobicContact CG2-CG2 4.07Å
509	L	41.8	Very low	34.4	Very low	7 Å²	7	68.9 Å²	68.9	4%	0.037	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.5	171.4	-76.8	148.7	0	0	0	109.2	F479 T481 L493 F507 I545 F547	F479-L509 HydrophobicContact CB-CD2 4.24Å; T481-L509 HydrophobicContact CG2-CD2 4.1Å; L493-L509 HydrophobicContact CD1-CD1 3.55Å; L493-L509 HydrophobicContact CD1-CD2 3.8Å; L493-L509 HydrophobicContact CD1-CG 4.32Å; F507-L509 HydrophobicContact CD2-CD1 3.94Å; F507-L509 HydrophobicContact CD2-CG 4.25Å; F507-L509 HydrophobicContact CE2-CD1 3.61Å; F507-L509 HydrophobicContact CE2-CG 4.4Å; L509-I545 HydrophobicContact CB-CB 4.42Å; L509-I545 PolarHBondContact N-O 3.06Å; L509-I545 PolarHBondContact O-N 3.31Å; L509-F547 HydrophobicContact CD1-CD2 4.03Å; L509-F547 HydrophobicContact CD1-CE2 3.63Å
510	V	40.4	Very low	35	Very low	5 Å²	5	66.1 Å²	66.1	3%	0.03	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.1	-177.8	-174.2	0	0	0	0	110.7	I508 K512 I514 F520 I542 G543	I508-V510 HydrophobicContact CG2-CG2 3.71Å; V510-K512 PolarHBondContact O-N 3.47Å; V510-I514 HydrophobicContact CB-CD1 3.33Å; V510-I514 HydrophobicContact CB-CG1 4.11Å; V510-I514 HydrophobicContact CG1-CD1 3.42Å; V510-I514 VanDerWaalsContact CG1-CD1 3.42Å; V510-I514 HydrophobicContact CG1-CG1 3.68Å; V510-I514 HydrophobicContact CG2-CD1 3.83Å; V510-F520 HydrophobicContact CG2-CE1 4.09Å; V510-F520 HydrophobicContact CG2-CZ 3.71Å; V510-I542 HydrophobicContact CG1-CG2 3.56Å; V510-G543 WeakPolarHBondContact CG1-O 3.15Å
511	N	40	Very low	35.3	Very low	86 Å²	86	65.6 Å²	65.6	46%	0.46	34%	0.337	S	S	.	.			trans	-96.9	36.5	-164.3	-166.2	12.7	0	0	0	114.6	G543	N511-G543 PolarHBondContact N-O 2.7Å
512	K	37.2	Very low	35.6	Very low	129 Å²	129	64.7 Å²	64.7	56%	0.561	34%	0.335	S	S	*	.	S	Bend	trans	-150.9	167.4	171.9	-116.2	172.8	-172.3	168.2	0	111.2	V510 I514 D605	V510-K512 PolarHBondContact O-N 3.47Å; K512-I514 WeakPolarHBondContact O-CG1 3.32Å; K512-I514 PolarHBondContact O-N 2.84Å; K512-D605 IonicContact NZ-OD1 3.73Å; K512-D605 PolarHBondContact NZ-OD1 3.38Å; K512-D605 IonicContact NZ-OD2 2.9Å; K512-D605 PolarHBondContact NZ-OD2 3.41Å
513	D	32.3	Very low	36	Very low	67 Å²	67	60.4 Å²	60.4	36%	0.358	31%	0.313	S	S	.	.			trans	-63	74.1	177.4	-123	-37.9	0	0	0	109.4	K482 R515 S516	K482-D513 IonicContact NZ-OD2 3.36Å; K482-D513 PolarHBondContact NZ-OD2 2.99Å; D513-R515 PolarHBondContact O-N 3.29Å; D513-R515 IonicContact OD1-CZ 3.58Å; D513-R515 IonicContact OD1-NE 3.33Å; D513-R515 PolarHBondContact OD1-NE 2.8Å; D513-R515 IonicContact OD1-NH2 3.65Å; D513-R515 PolarHBondContact OD1-NH2 3.23Å; D513-R515 IonicContact OD2-NH2 2.78Å; D513-S516 PolarHBondContact O-N 3.1Å; D513-S516 PolarHBondContact O-OG 2.96Å; D513-S516 VanDerWaalsContact O-OG 3.09Å
514	I	33.1	Very low	36.4	Very low	13 Å²	13	60.4 Å²	60.4	7%	0.067	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-62.4	-9.8	176.1	-50.2	168.2	0	0	0	111	L480 V510 K512 S516 N517 F520 V521	L480-I514 HydrophobicContact CD2-CD1 3.27Å; L480-I514 HydrophobicContact CD2-CG1 4.47Å; V510-I514 HydrophobicContact CB-CD1 3.33Å; V510-I514 HydrophobicContact CB-CG1 4.11Å; V510-I514 HydrophobicContact CG1-CD1 3.42Å; V510-I514 VanDerWaalsContact CG1-CD1 3.42Å; V510-I514 HydrophobicContact CG1-CG1 3.68Å; V510-I514 HydrophobicContact CG2-CD1 3.83Å; K512-I514 WeakPolarHBondContact O-CG1 3.32Å; K512-I514 PolarHBondContact O-N 2.84Å; I514-S516 PolarHBondContact O-N 3.44Å; I514-N517 HydrophobicContact CG2-CB 4.22Å; I514-N517 PolarHBondContact O-N 2.91Å; I514-F520 HydrophobicContact CB-CD1 4.41Å; I514-F520 HydrophobicContact CD1-CD1 3.65Å; I514-F520 HydrophobicContact CD1-CE1 3.42Å; I514-F520 VanDerWaalsContact CD1-CE1 3.42Å; I514-F520 HydrophobicContact CD1-CZ 4.31Å; I514-F520 HydrophobicContact CG1-CD1 4.39Å; I514-F520 HydrophobicContact CG2-CB 3.74Å; I514-F520 HydrophobicContact CG2-CD1 3.3Å; I514-F520 HydrophobicContact CG2-CE1 4.17Å; I514-F520 HydrophobicContact CG2-CG 3.82Å; I514-V521 HydrophobicContact CG2-CG2 3.79Å; I514-V521 VanDerWaalsContact O-CG2 3.29Å; I514-V521 WeakPolarHBondContact O-CG2 3.3Å
515	R	31.2	Very low	36.8	Very low	185 Å²	185	60.1 Å²	60.1	70%	0.698	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-55.3	-11.4	163.3	-67.4	-174.8	-69.3	-178.8	-0.9	113.5	D513	D513-R515 PolarHBondContact O-N 3.29Å; D513-R515 IonicContact OD1-CZ 3.58Å; D513-R515 IonicContact OD1-NE 3.33Å; D513-R515 PolarHBondContact OD1-NE 2.8Å; D513-R515 IonicContact OD1-NH2 3.65Å; D513-R515 PolarHBondContact OD1-NH2 3.23Å; D513-R515 IonicContact OD2-NH2 2.78Å
516	S	33.8	Very low	36.9	Very low	106 Å²	106	64 Å²	64	74%	0.741	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-103.5	5	170.1	76	0	0	0	0	114.7	D513 I514	D513-S516 PolarHBondContact O-N 3.1Å; D513-S516 PolarHBondContact O-OG 2.96Å; D513-S516 VanDerWaalsContact O-OG 3.09Å; I514-S516 PolarHBondContact O-N 3.44Å
517	N	35	Very low	36.7	Very low	47 Å²	47	66.5 Å²	66.5	25%	0.251	35%	0.352	S	S	.	.			trans	-123	81.2	174	-168.2	-31.8	0	0	0	109.4	I514 L519 F520 V521	I514-N517 HydrophobicContact CG2-CB 4.22Å; I514-N517 PolarHBondContact O-N 2.91Å; N517-L519 PolarHBondContact O-N 2.85Å; N517-L519 VanDerWaalsContact O-N 3.1Å; N517-L519 PolarHBondContact OD1-N 3.46Å; N517-F520 HydrophobicContact CB-CB 4.43Å; N517-F520 PolarHBondContact O-N 3.34Å; N517-F520 VanDerWaalsContact O-N 3.1Å; N517-F520 PolarHBondContact OD1-N 2.1Å; N517-V521 PolarHBondContact O-N 2.95Å; N517-V521 VanDerWaalsContact O-N 3.13Å
518	D	36.5	Very low	36.6	Very low	116 Å²	116	66.7 Å²	66.7	62%	0.62	36%	0.358	S	S	*	.	H	α-helix	trans	-55.6	-26.5	-178	-64.8	-24.3	0	0	0	112.7	G522	D518-G522 WeakPolarHBondContact O-CA 3.31Å; D518-G522 PolarHBondContact O-N 3.04Å
519	L	34.6	Very low	36.9	Very low	110 Å²	110	69.7 Å²	69.7	58%	0.576	37%	0.374	S	S	*	.	H	α-helix	trans	-72.6	-43.3	178.4	-146.6	103.9	0	0	0	111.9	N517 V521 G522 M523 F536	N517-L519 PolarHBondContact O-N 2.85Å; N517-L519 VanDerWaalsContact O-N 3.1Å; N517-L519 PolarHBondContact OD1-N 3.46Å; L519-V521 VanDerWaalsContact C-N 3.34Å; L519-G522 PolarHBondContact O-N 3.4Å; L519-M523 HydrophobicContact CD2-SD 4.47Å; L519-M523 VanDerWaalsContact O-CG 3.25Å; L519-M523 WeakPolarHBondContact O-CG 3.39Å; L519-M523 PolarHBondContact O-N 3.12Å; L519-F536 HydrophobicContact CB-CZ 4.16Å; L519-F536 HydrophobicContact CD2-CD2 4.33Å; L519-F536 HydrophobicContact CD2-CE2 3.31Å; L519-F536 HydrophobicContact CD2-CZ 3.59Å; L519-F536 HydrophobicContact CG-CZ 4.49Å
520	F	41.3	Very low	37.2	Very low	0 Å²	0	70 Å²	70	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-65.8	-40.5	174.6	-173.2	-89.8	0	0	0	111.1	L480 V510 I514 N517 G522 M523 L524 L533 F536 S537	L480-F520 HydrophobicContact CD2-CE1 4.35Å; V510-F520 HydrophobicContact CG2-CE1 4.09Å; V510-F520 HydrophobicContact CG2-CZ 3.71Å; I514-F520 HydrophobicContact CB-CD1 4.41Å; I514-F520 HydrophobicContact CD1-CD1 3.65Å; I514-F520 HydrophobicContact CD1-CE1 3.42Å; I514-F520 VanDerWaalsContact CD1-CE1 3.42Å; I514-F520 HydrophobicContact CD1-CZ 4.31Å; I514-F520 HydrophobicContact CG1-CD1 4.39Å; I514-F520 HydrophobicContact CG2-CB 3.74Å; I514-F520 HydrophobicContact CG2-CD1 3.3Å; I514-F520 HydrophobicContact CG2-CE1 4.17Å; I514-F520 HydrophobicContact CG2-CG 3.82Å; N517-F520 HydrophobicContact CB-CB 4.43Å; N517-F520 PolarHBondContact O-N 3.34Å; N517-F520 VanDerWaalsContact O-N 3.1Å; N517-F520 PolarHBondContact OD1-N 2.1Å; F520-G522 VanDerWaalsContact C-N 3.34Å; F520-M523 PolarHBondContact O-N 3.12Å; F520-L524 HydrophobicContact CD1-CD1 3.53Å; F520-L524 HydrophobicContact CD1-CG 4.4Å; F520-L524 HydrophobicContact CE1-CD1 3.34Å; F520-L524 HydrophobicContact CE1-CG 4.19Å; F520-L524 HydrophobicContact CZ-CD1 4.34Å; F520-L524 WeakPolarHBondContact O-CB 3.42Å; F520-L524 PolarHBondContact O-N 2.98Å; F520-L533 HydrophobicContact CD2-CD2 4.05Å; F520-L533 HydrophobicContact CE2-CB 3.96Å; F520-L533 HydrophobicContact CE2-CD2 3.75Å; F520-L533 HydrophobicContact CE2-CG 4.38Å; F520-L533 HydrophobicContact CZ-CB 4.28Å; F520-L533 HydrophobicContact CZ-CD2 4.07Å; F520-F536 HydrophobicContact CB-CD1 4.44Å; F520-F536 HydrophobicContact CB-CE1 4.08Å; F520-F536 AromaticContact CD2-CD1 3.79Å; F520-F536 HydrophobicContact CD2-CD1 3.79Å; F520-F536 HydrophobicContact CD2-CE1 4.26Å; F520-S537 WeakPolarHBondContact CE2-OG 3.13Å
521	V	38.2	Very low	37.4	Very low	30 Å²	30	70.1 Å²	70.1	18%	0.182	38%	0.378	C	S	.	.	H	α-helix	trans	-64.5	-40.3	174.6	175.5	0	0	0	0	110.9	I514 N517 L519 L524 Y525	I514-V521 HydrophobicContact CG2-CG2 3.79Å; I514-V521 VanDerWaalsContact O-CG2 3.29Å; I514-V521 WeakPolarHBondContact O-CG2 3.3Å; N517-V521 PolarHBondContact O-N 2.95Å; N517-V521 VanDerWaalsContact O-N 3.13Å; L519-V521 VanDerWaalsContact C-N 3.34Å; V521-L524 VanDerWaalsContact O-CB 3.29Å; V521-L524 WeakPolarHBondContact O-CB 3.19Å; V521-L524 PolarHBondContact O-N 3.46Å; V521-Y525 HydrophobicContact CG1-CD2 3.59Å; V521-Y525 HydrophobicContact CG1-CE2 3.33Å; V521-Y525 WeakPolarHBondContact O-CD2 3.45Å; V521-Y525 PolarHBondContact O-N 3.41Å
522	G	33	Very low	37.6	Very low	25 Å²	25	69.2 Å²	69.2	26%	0.258	38%	0.375	S	S	.	.	H	α-helix	trans	-62.2	-46.4	174.2	0	0	0	0	0	112.3	D518 L519 F520 L524 Y525 D526	D518-G522 WeakPolarHBondContact O-CA 3.31Å; D518-G522 PolarHBondContact O-N 3.04Å; L519-G522 PolarHBondContact O-N 3.4Å; F520-G522 VanDerWaalsContact C-N 3.34Å; G522-L524 VanDerWaalsContact C-N 3.27Å; G522-L524 PolarHBondContact O-N 3.21Å; G522-Y525 WeakPolarHBondContact O-CB 3.48Å; G522-Y525 PolarHBondContact O-N 2.72Å; G522-Y525 VanDerWaalsContact O-N 3.08Å; G522-D526 PolarHBondContact O-N 3.44Å
523	M	36.8	Very low	38.2	Very low	35 Å²	35	63.1 Å²	63.1	17%	0.172	35%	0.349	C	S	.	.	H	α-helix	trans	-60.5	-37.3	174.2	-70.6	174	73.1	0	0	112	L519 F520 D526 G527 A528 V532 L533 F536	L519-M523 HydrophobicContact CD2-SD 4.47Å; L519-M523 VanDerWaalsContact O-CG 3.25Å; L519-M523 WeakPolarHBondContact O-CG 3.39Å; L519-M523 PolarHBondContact O-N 3.12Å; F520-M523 PolarHBondContact O-N 3.12Å; M523-D526 PolarHBondContact O-N 3.11Å; M523-G527 PolarHBondContact O-N 3.47Å; M523-A528 HydrophobicContact CB-CB 3.94Å; M523-A528 HydrophobicContact CE-CB 4.36Å; M523-A528 WeakPolarHBondContact O-CB 3.46Å; M523-A528 PolarHBondContact O-N 3.15Å; M523-V532 HydrophobicContact CE-CB 4.49Å; M523-V532 HydrophobicContact CE-CG1 3.42Å; M523-V532 VanDerWaalsContact CE-CG1 3.42Å; M523-L533 HydrophobicContact CB-CD2 3.81Å; M523-L533 HydrophobicContact CE-CD2 4.41Å; M523-F536 HydrophobicContact CE-CB 4.14Å; M523-F536 HydrophobicContact CE-CD2 4.39Å; M523-F536 HydrophobicContact CE-CG 4.4Å; M523-F536 HydrophobicContact SD-CB 4.28Å; M523-F536 HydrophobicContact SD-CD2 3.71Å; M523-F536 HydrophobicContact SD-CE2 4.16Å; M523-F536 HydrophobicContact SD-CG 3.91Å
524	L	39.5	Very low	39	Very low	42 Å²	42	60 Å²	60	22%	0.22	33%	0.332	C	S	.	.	H	α-helix	trans	-63.5	-44.9	171.3	-91.3	160.9	0	0	0	112.7	V478 L480 F520 V521 G522 D526 G527 L533	V478-L524 HydrophobicContact CB-CD2 3.56Å; V478-L524 HydrophobicContact CG1-CD1 4.49Å; V478-L524 HydrophobicContact CG1-CD2 3.65Å; V478-L524 HydrophobicContact CG2-CD2 3.88Å; L480-L524 HydrophobicContact CD1-CD1 4.09Å; L480-L524 HydrophobicContact CD2-CD1 3.95Å; L480-L524 HydrophobicContact CG-CD1 4.27Å; F520-L524 HydrophobicContact CD1-CD1 3.53Å; F520-L524 HydrophobicContact CD1-CG 4.4Å; F520-L524 HydrophobicContact CE1-CD1 3.34Å; F520-L524 HydrophobicContact CE1-CG 4.19Å; F520-L524 HydrophobicContact CZ-CD1 4.34Å; F520-L524 WeakPolarHBondContact O-CB 3.42Å; F520-L524 PolarHBondContact O-N 2.98Å; V521-L524 VanDerWaalsContact O-CB 3.29Å; V521-L524 WeakPolarHBondContact O-CB 3.19Å; V521-L524 PolarHBondContact O-N 3.46Å; G522-L524 VanDerWaalsContact C-N 3.27Å; G522-L524 PolarHBondContact O-N 3.21Å; L524-D526 VanDerWaalsContact C-N 3.3Å; L524-D526 PolarHBondContact O-N 3.05Å; L524-G527 PolarHBondContact O-N 3.29Å; L524-G527 VanDerWaalsContact O-N 3.13Å; L524-L533 HydrophobicContact CD2-CD1 4.06Å; L524-L533 HydrophobicContact CG-CD1 4.22Å; L524-L533 HydrophobicContact CG-CD2 4.38Å
525	Y	37.8	Very low	39.6	Very low	160 Å²	160	60.5 Å²	60.5	63%	0.627	34%	0.336	S	S	*	.	H	α-helix	trans	-63.5	-35.4	176.5	-84.1	-64.6	0	0	0	112.5	L422 V521 G522 G527	L422-Y525 HydrophobicContact CD1-CD1 4.36Å; L422-Y525 HydrophobicContact CD1-CE1 4.35Å; L422-Y525 HydrophobicContact CD2-CE1 4.47Å; V521-Y525 HydrophobicContact CG1-CD2 3.59Å; V521-Y525 HydrophobicContact CG1-CE2 3.33Å; V521-Y525 WeakPolarHBondContact O-CD2 3.45Å; V521-Y525 PolarHBondContact O-N 3.41Å; G522-Y525 WeakPolarHBondContact O-CB 3.48Å; G522-Y525 PolarHBondContact O-N 2.72Å; G522-Y525 VanDerWaalsContact O-N 3.08Å; Y525-G527 PolarHBondContact O-N 3.2Å
526	D	34.4	Very low	40.3	Very low	146 Å²	146	53.1 Å²	53.1	78%	0.781	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-3.6	176.3	-71.1	-18.6	0	0	0	112.9	G522 M523 L524	G522-D526 PolarHBondContact O-N 3.44Å; M523-D526 PolarHBondContact O-N 3.11Å; L524-D526 VanDerWaalsContact C-N 3.3Å; L524-D526 PolarHBondContact O-N 3.05Å
527	G	33.4	Very low	41	Very low	63 Å²	63	48.1 Å²	48.1	65%	0.649	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	33.1	179	0	0	0	0	0	113.6	M523 L524 Y525 D529	M523-G527 PolarHBondContact O-N 3.47Å; L524-G527 PolarHBondContact O-N 3.29Å; L524-G527 VanDerWaalsContact O-N 3.13Å; Y525-G527 PolarHBondContact O-N 3.2Å; G527-D529 PolarHBondContact O-N 3.16Å
528	A	39.5	Very low	41.5	Very low	27 Å²	27	47.3 Å²	47.3	22%	0.223	27%	0.271	C	S	.	.			trans	-56.3	136.7	176.4	0	0	0	0	0	111.4	M523 V532 L533	M523-A528 HydrophobicContact CB-CB 3.94Å; M523-A528 HydrophobicContact CE-CB 4.36Å; M523-A528 WeakPolarHBondContact O-CB 3.46Å; M523-A528 PolarHBondContact O-N 3.15Å; A528-V532 HydrophobicContact CB-CB 4.48Å; A528-L533 HydrophobicContact CB-CD2 4.19Å; A528-L533 HydrophobicContact CB-CG 4.27Å
529	D	44.9	Very low	41.9	Very low	65 Å²	65	45.8 Å²	45.8	35%	0.348	27%	0.269	S	S	.	.			trans	-59.4	146.9	179	-176.6	-89.5	0	0	0	111.7	G527 S531 V532 L533	G527-D529 PolarHBondContact O-N 3.16Å; D529-S531 PolarHBondContact O-N 2.97Å; D529-S531 VanDerWaalsContact O-N 3.13Å; D529-S531 VanDerWaalsContact OD1-CB 3.27Å; D529-S531 WeakPolarHBondContact OD1-CB 3.43Å; D529-S531 PolarHBondContact OD1-N 2.6Å; D529-S531 PolarHBondContact OD1-OG 2.84Å; D529-V532 HydrophobicContact CB-CG2 4.17Å; D529-V532 WeakPolarHBondContact O-CB 3.22Å; D529-V532 PolarHBondContact O-N 3.38Å; D529-L533 PolarHBondContact O-N 3.31Å; D529-L533 VanDerWaalsContact O-N 3.12Å
530	P	47.6	Very low	42.4	Very low	12 Å²	12	44.5 Å²	44.5	8%	0.078	26%	0.263	C	S	.	.	H	α-helix	trans	-50.3	-36.5	176.6	-30.1	36.8	0	0	0	114.2	I508 V532 L533 W534 I554	I508-P530 HydrophobicContact CD1-CB 3.74Å; I508-P530 WeakPolarHBondContact CD1-O 3.21Å; I508-P530 HydrophobicContact CG1-CB 4.3Å; P530-V532 PolarHBondContact O-N 3.2Å; P530-L533 PolarHBondContact O-N 3.03Å; P530-W534 WeakPolarHBondContact O-CB 3.46Å; P530-W534 PolarHBondContact O-N 3.22Å; P530-I554 HydrophobicContact CB-CG2 4.29Å
531	S	44.7	Very low	42.5	Very low	9 Å²	9	48.2 Å²	48.2	6%	0.063	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-44.4	176.3	62.8	0	0	0	0	112	D529 L533 W534 C535 Q557	D529-S531 PolarHBondContact O-N 2.97Å; D529-S531 VanDerWaalsContact O-N 3.13Å; D529-S531 VanDerWaalsContact OD1-CB 3.27Å; D529-S531 WeakPolarHBondContact OD1-CB 3.43Å; D529-S531 PolarHBondContact OD1-N 2.6Å; D529-S531 PolarHBondContact OD1-OG 2.84Å; S531-L533 PolarHBondContact O-N 3.47Å; S531-W534 WeakPolarHBondContact O-CB 3.48Å; S531-W534 PolarHBondContact O-N 3.13Å; S531-C535 PolarHBondContact O-N 3.12Å; S531-C535 PolarHBondContact O-SG 2.93Å; S531-Q557 PolarHBondContact OG-OE1 3Å
532	V	45.1	Very low	42.9	Very low	67 Å²	67	47.9 Å²	47.9	41%	0.406	28%	0.28	S	S	.	.	H	α-helix	trans	-64.9	-42.6	179.5	-174.6	0	0	0	0	110.6	M523 A528 D529 P530 W534 C535 F536	M523-V532 HydrophobicContact CE-CB 4.49Å; M523-V532 HydrophobicContact CE-CG1 3.42Å; M523-V532 VanDerWaalsContact CE-CG1 3.42Å; A528-V532 HydrophobicContact CB-CB 4.48Å; D529-V532 HydrophobicContact CB-CG2 4.17Å; D529-V532 WeakPolarHBondContact O-CB 3.22Å; D529-V532 PolarHBondContact O-N 3.38Å; P530-V532 PolarHBondContact O-N 3.2Å; V532-W534 VanDerWaalsContact C-N 3.33Å; V532-W534 PolarHBondContact O-N 3.36Å; V532-C535 PolarHBondContact O-N 3.46Å; V532-F536 WeakPolarHBondContact O-CB 3.32Å; V532-F536 PolarHBondContact O-N 2.91Å
533	L	49.3	Very low	43.4	Very low	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64	-37.2	175.8	-67.7	175.3	0	0	0	112.1	V478 I508 F520 M523 L524 A528 D529 P530 S531 S537	V478-L533 HydrophobicContact CG2-CD1 3.78Å; I508-L533 HydrophobicContact CD1-CB 3.96Å; F520-L533 HydrophobicContact CD2-CD2 4.05Å; F520-L533 HydrophobicContact CE2-CB 3.96Å; F520-L533 HydrophobicContact CE2-CD2 3.75Å; F520-L533 HydrophobicContact CE2-CG 4.38Å; F520-L533 HydrophobicContact CZ-CB 4.28Å; F520-L533 HydrophobicContact CZ-CD2 4.07Å; M523-L533 HydrophobicContact CB-CD2 3.81Å; M523-L533 HydrophobicContact CE-CD2 4.41Å; L524-L533 HydrophobicContact CD2-CD1 4.06Å; L524-L533 HydrophobicContact CG-CD1 4.22Å; L524-L533 HydrophobicContact CG-CD2 4.38Å; A528-L533 HydrophobicContact CB-CD2 4.19Å; A528-L533 HydrophobicContact CB-CG 4.27Å; D529-L533 PolarHBondContact O-N 3.31Å; D529-L533 VanDerWaalsContact O-N 3.12Å; P530-L533 PolarHBondContact O-N 3.03Å; S531-L533 PolarHBondContact O-N 3.47Å; L533-S537 WeakPolarHBondContact O-CB 3.4Å; L533-S537 PolarHBondContact O-N 2.75Å; L533-S537 PolarHBondContact O-OG 2.92Å
534	W	48.8	Very low	43.8	Very low	2 Å²	2	45.5 Å²	45.5	1%	0.008	26%	0.264	C	S	.	.	H	α-helix	trans	-65.2	-50.1	173	166	-101.4	0	0	0	112.1	P530 S531 V532 F536 S537 V538 C544 V546 M558 L562 I597 C607 L609	P530-W534 WeakPolarHBondContact O-CB 3.46Å; P530-W534 PolarHBondContact O-N 3.22Å; S531-W534 WeakPolarHBondContact O-CB 3.48Å; S531-W534 PolarHBondContact O-N 3.13Å; V532-W534 VanDerWaalsContact C-N 3.33Å; V532-W534 PolarHBondContact O-N 3.36Å; W534-F536 PolarHBondContact O-N 3.47Å; W534-S537 PolarHBondContact O-N 2.07Å; W534-V538 HydrophobicContact CD2-CG2 3.74Å; W534-V538 VanDerWaalsContact CE2-CG2 3.48Å; W534-V538 HydrophobicContact CE3-CG2 4.06Å; W534-V538 HydrophobicContact CG-CG2 4.36Å; W534-V538 HydrophobicContact CH2-CG2 4.02Å; W534-V538 HydrophobicContact CZ2-CG2 3.64Å; W534-V538 HydrophobicContact CZ3-CG2 4.21Å; W534-V538 WeakPolarHBondContact O-CG2 3.31Å; W534-V538 PolarHBondContact O-N 3.05Å; W534-C544 WeakPolarHBondContact CZ3-SG 3.4Å; W534-V546 HydrophobicContact CD2-CG2 4.47Å; W534-V546 HydrophobicContact CE3-CB 4.31Å; W534-V546 HydrophobicContact CE3-CG2 3.42Å; W534-V546 VanDerWaalsContact CE3-CG2 3.42Å; W534-V546 HydrophobicContact CZ3-CB 4.37Å; W534-V546 HydrophobicContact CZ3-CG2 3.71Å; W534-M558 HydrophobicContact CB-CE 3.45Å; W534-M558 VanDerWaalsContact CB-CE 3.45Å; W534-M558 HydrophobicContact CB-CG 3.9Å; W534-M558 HydrophobicContact CB-SD 3.95Å; W534-M558 HydrophobicContact CD2-CE 3.29Å; W534-M558 HydrophobicContact CE3-CE 3.72Å; W534-M558 HydrophobicContact CG-CB 4.19Å; W534-M558 HydrophobicContact CG-CE 3.18Å; W534-M558 HydrophobicContact CG-CG 3.82Å; W534-M558 HydrophobicContact CG-SD 4.1Å; W534-M558 HydrophobicContact CZ3-CE 4.48Å; W534-M558 PolarHBondContact NE1-O 3.27Å; W534-M558 VanDerWaalsContact NE1-O 3.1Å; W534-L562 HydrophobicContact CZ2-CD2 4.34Å; W534-I597 HydrophobicContact CH2-CD1 4Å; W534-I597 HydrophobicContact CZ2-CD1 3.85Å; W534-C607 HydrophobicContact CH2-CB 4.15Å; W534-C607 HydrophobicContact CZ3-CB 4.01Å; W534-L609 HydrophobicContact CH2-CB 4.41Å
535	C	46.2	Very low	43.9	Very low	23 Å²	23	45.4 Å²	45.4	16%	0.155	26%	0.263	C	S	.	.	H	α-helix	trans	-57.9	-38.9	178.3	-58.6	0	0	0	0	111	S531 V532 S539 C561	S531-C535 PolarHBondContact O-N 3.12Å; S531-C535 PolarHBondContact O-SG 2.93Å; V532-C535 PolarHBondContact O-N 3.46Å; C535-S539 WeakPolarHBondContact O-CB 3.47Å; C535-S539 PolarHBondContact O-N 3.05Å; C535-S539 PolarHBondContact O-OG 2.9Å; C535-C561 HydrophobicContact CB-CB 3.68Å; C535-C561 WeakPolarHBondContact CB-SG 3.5Å; C535-C561 WeakPolarHBondContact SG-CB 3Å; C535-C561 CovalentContact SG-SG 2Å; C535-C561 PolarHBondContact SG-SG 2.87Å
536	F	46.1	Very low	44.2	Very low	31 Å²	31	37.8 Å²	37.8	14%	0.136	23%	0.234	C	C	.	.	H	α-helix	trans	-64.7	-46.6	172.8	-172.9	-91	0	0	0	112.1	L519 F520 M523 V532 W534 S539 N540 I542	L519-F536 HydrophobicContact CB-CZ 4.16Å; L519-F536 HydrophobicContact CD2-CD2 4.33Å; L519-F536 HydrophobicContact CD2-CE2 3.31Å; L519-F536 HydrophobicContact CD2-CZ 3.59Å; L519-F536 HydrophobicContact CG-CZ 4.49Å; F520-F536 HydrophobicContact CB-CD1 4.44Å; F520-F536 HydrophobicContact CB-CE1 4.08Å; F520-F536 AromaticContact CD2-CD1 3.79Å; F520-F536 HydrophobicContact CD2-CD1 3.79Å; F520-F536 HydrophobicContact CD2-CE1 4.26Å; M523-F536 HydrophobicContact CE-CB 4.14Å; M523-F536 HydrophobicContact CE-CD2 4.39Å; M523-F536 HydrophobicContact CE-CG 4.4Å; M523-F536 HydrophobicContact SD-CB 4.28Å; M523-F536 HydrophobicContact SD-CD2 3.71Å; M523-F536 HydrophobicContact SD-CE2 4.16Å; M523-F536 HydrophobicContact SD-CG 3.91Å; V532-F536 WeakPolarHBondContact O-CB 3.32Å; V532-F536 PolarHBondContact O-N 2.91Å; W534-F536 PolarHBondContact O-N 3.47Å; F536-S539 PolarHBondContact O-N 3.33Å; F536-N540 VanDerWaalsContact CD2-ND2 3.32Å; F536-N540 WeakPolarHBondContact CD2-ND2 3.45Å; F536-N540 HydrophobicContact CE1-CB 4.43Å; F536-N540 WeakPolarHBondContact CE2-ND2 3.16Å; F536-N540 WeakPolarHBondContact CZ-ND2 3.15Å; F536-N540 WeakPolarHBondContact O-CB 3.04Å; F536-N540 PolarHBondContact O-N 2.99Å; F536-N540 PolarHBondContact O-ND2 2.89Å; F536-I542 HydrophobicContact CD1-CD1 3.9Å; F536-I542 HydrophobicContact CE1-CD1 3.68Å
537	S	49	Very low	44.6	Very low	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.4	-45.1	-179	-59.8	0	0	0	0	112.2	F520 L533 W534 N540 N541 I542	F520-S537 WeakPolarHBondContact CE2-OG 3.13Å; L533-S537 WeakPolarHBondContact O-CB 3.4Å; L533-S537 PolarHBondContact O-N 2.75Å; L533-S537 PolarHBondContact O-OG 2.92Å; W534-S537 PolarHBondContact O-N 2.07Å; S537-N540 PolarHBondContact O-N 2.94Å; S537-N541 PolarHBondContact O-N 2.94Å; S537-I542 PolarHBondContact O-N 3.41Å
538	V	45.3	Very low	45.1	Very low	30 Å²	30	29.1 Å²	29.1	18%	0.182	17%	0.171	C	C	.	.	H	α-helix	trans	-66.7	-44.8	177.5	175	0	0	0	0	111	W534 N540 N541	W534-V538 HydrophobicContact CD2-CG2 3.74Å; W534-V538 VanDerWaalsContact CE2-CG2 3.48Å; W534-V538 HydrophobicContact CE3-CG2 4.06Å; W534-V538 HydrophobicContact CG-CG2 4.36Å; W534-V538 HydrophobicContact CH2-CG2 4.02Å; W534-V538 HydrophobicContact CZ2-CG2 3.64Å; W534-V538 HydrophobicContact CZ3-CG2 4.21Å; W534-V538 WeakPolarHBondContact O-CG2 3.31Å; W534-V538 PolarHBondContact O-N 3.05Å; V538-N540 VanDerWaalsContact C-N 3.28Å; V538-N540 PolarHBondContact O-N 2.76Å; V538-N541 PolarHBondContact O-N 2.68Å
539	S	45.1	Very low	45.1	Very low	84 Å²	84	29.3 Å²	29.3	59%	0.587	17%	0.17	S	C	*	.	H	α-helix	trans	-63	-34.2	179.1	-63.7	0	0	0	0	112.9	C535 F536	C535-S539 WeakPolarHBondContact O-CB 3.47Å; C535-S539 PolarHBondContact O-N 3.05Å; C535-S539 PolarHBondContact O-OG 2.9Å; F536-S539 PolarHBondContact O-N 3.33Å
540	N	43.7	Very low	44.8	Very low	83 Å²	83	30 Å²	30	44%	0.444	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	6.3	-177.1	-68.1	-77.1	0	0	0	114.5	F536 S537 V538 I542	F536-N540 VanDerWaalsContact CD2-ND2 3.32Å; F536-N540 WeakPolarHBondContact CD2-ND2 3.45Å; F536-N540 HydrophobicContact CE1-CB 4.43Å; F536-N540 WeakPolarHBondContact CE2-ND2 3.16Å; F536-N540 WeakPolarHBondContact CZ-ND2 3.15Å; F536-N540 WeakPolarHBondContact O-CB 3.04Å; F536-N540 PolarHBondContact O-N 2.99Å; F536-N540 PolarHBondContact O-ND2 2.89Å; S537-N540 PolarHBondContact O-N 2.94Å; V538-N540 VanDerWaalsContact C-N 3.28Å; V538-N540 PolarHBondContact O-N 2.76Å; N540-I542 VanDerWaalsContact C-N 3.33Å; N540-I542 HydrophobicContact CB-CD1 4.17Å; N540-I542 HydrophobicContact CB-CG1 4.03Å; N540-I542 PolarHBondContact O-N 2.83Å
541	N	44.4	Very low	44	Very low	78 Å²	78	36.6 Å²	36.6	42%	0.417	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	40.8	-175.8	-48.5	-58.9	0	0	0	114	S537 V538	S537-N541 PolarHBondContact O-N 2.94Å; V538-N541 PolarHBondContact O-N 2.68Å
542	I	45.8	Very low	43.8	Very low	24 Å²	24	36.9 Å²	36.9	12%	0.123	21%	0.208	C	C	.	.			trans	-85.5	120	175.7	-56.3	176.5	0	0	0	108.5	V510 F536 S537 N540 C544 C607	V510-I542 HydrophobicContact CG1-CG2 3.56Å; F536-I542 HydrophobicContact CD1-CD1 3.9Å; F536-I542 HydrophobicContact CE1-CD1 3.68Å; S537-I542 PolarHBondContact O-N 3.41Å; N540-I542 VanDerWaalsContact C-N 3.33Å; N540-I542 HydrophobicContact CB-CD1 4.17Å; N540-I542 HydrophobicContact CB-CG1 4.03Å; N540-I542 PolarHBondContact O-N 2.83Å; I542-C544 PolarHBondContact O-N 2.96Å; I542-C607 PolarHBondContact O-SG 2.87Å
543	G	43.5	Very low	43.4	Very low	9 Å²	9	39.8 Å²	39.8	9%	0.093	22%	0.221	C	C	.	.			trans	-62.2	120.4	179.6	0	0	0	0	0	113	V510 N511 W606	V510-G543 WeakPolarHBondContact CG1-O 3.15Å; N511-G543 PolarHBondContact N-O 2.7Å; G543-W606 VanDerWaalsContact CA-O 3.3Å; G543-W606 WeakPolarHBondContact CA-O 3.48Å
544	C	46.6	Very low	42.9	Very low	1 Å²	1	41.2 Å²	41.2	1%	0.007	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	150.9	-167	71.3	0	0	0	0	113.4	W534 I542 W606 C607 F608	W534-C544 WeakPolarHBondContact CZ3-SG 3.4Å; I542-C544 PolarHBondContact O-N 2.96Å; C544-W606 PolarHBondContact N-O 2.85Å; C544-C607 HydrophobicContact CB-CB 4.47Å; C544-C607 WeakPolarHBondContact CB-SG 3.32Å; C544-C607 PolarHBondContact N-SG 3.26Å; C544-C607 CarbonylContact O-C 3.59Å; C544-C607 WeakPolarHBondContact O-CA 3.3Å; C544-C607 WeakPolarHBondContact SG-CB 3.22Å; C544-C607 CovalentContact SG-SG 2.07Å; C544-C607 PolarHBondContact SG-SG 3.49Å; C544-F608 PolarHBondContact O-N 2.88Å
545	I	41.5	Very low	42.5	Very low	40 Å²	40	42.8 Å²	42.8	21%	0.205	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	120.9	171.6	-55.2	178.2	0	0	0	107.2	L509 F547 F608 F610	L509-I545 HydrophobicContact CB-CB 4.42Å; L509-I545 PolarHBondContact N-O 3.06Å; L509-I545 PolarHBondContact O-N 3.31Å; I545-F547 HydrophobicContact CB-CE2 4.46Å; I545-F547 HydrophobicContact CG2-CD2 4.11Å; I545-F547 HydrophobicContact CG2-CE2 3.43Å; I545-F547 VanDerWaalsContact CG2-CE2 3.43Å; I545-F547 HydrophobicContact CG2-CZ 3.89Å; I545-F608 WeakPolarHBondContact CA-O 3.33Å; I545-F608 HydrophobicContact CG1-CD2 4.39Å; I545-F610 HydrophobicContact CG2-CD2 3.81Å; I545-F610 HydrophobicContact CG2-CE2 3.82Å
546	V	43	Very low	42.3	Very low	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136.2	-179	-174.5	0	0	0	0	110.5	I508 W534 L548 M558 F608 L609 F610	I508-V546 HydrophobicContact CB-CG2 4.37Å; I508-V546 HydrophobicContact CD1-CG2 4.45Å; I508-V546 HydrophobicContact CG1-CB 4.41Å; I508-V546 HydrophobicContact CG1-CG1 3.81Å; I508-V546 HydrophobicContact CG1-CG2 3.88Å; I508-V546 HydrophobicContact CG2-CG2 4.07Å; W534-V546 HydrophobicContact CD2-CG2 4.47Å; W534-V546 HydrophobicContact CE3-CB 4.31Å; W534-V546 HydrophobicContact CE3-CG2 3.42Å; W534-V546 VanDerWaalsContact CE3-CG2 3.42Å; W534-V546 HydrophobicContact CZ3-CB 4.37Å; W534-V546 HydrophobicContact CZ3-CG2 3.71Å; V546-L548 HydrophobicContact CG1-CD2 4.22Å; V546-L548 HydrophobicContact CG1-CG 4.04Å; V546-M558 HydrophobicContact CB-CE 4.03Å; V546-M558 HydrophobicContact CG1-CE 3.54Å; V546-M558 HydrophobicContact CG1-SD 4.34Å; V546-M558 HydrophobicContact CG2-CE 4.13Å; V546-F608 PolarHBondContact N-O 3.35Å; V546-L609 HydrophobicContact CB-CD1 3.91Å; V546-L609 HydrophobicContact CG1-CD1 4.07Å; V546-F610 PolarHBondContact O-N 3.22Å
547	F	44	Very low	41.8	Very low	26 Å²	26	51.9 Å²	51.9	11%	0.114	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.4	176.4	-66.3	-94.9	0	0	0	109.2	M497 F507 L509 I545 F610 L612	M497-F547 HydrophobicContact CE-CD1 4.09Å; M497-F547 HydrophobicContact CE-CE1 3.85Å; M497-F547 HydrophobicContact CE-CZ 4.29Å; M497-F547 HydrophobicContact SD-CE1 4.5Å; M497-F547 HydrophobicContact SD-CZ 4.4Å; F507-F547 HydrophobicContact CD1-CB 3.9Å; F507-F547 HydrophobicContact CD2-CB 4.14Å; F507-F547 AromaticContact CD2-CD2 3.85Å; F507-F547 HydrophobicContact CD2-CD2 3.85Å; F507-F547 HydrophobicContact CD2-CG 4.34Å; F507-F547 HydrophobicContact CE1-CB 3.34Å; F507-F547 HydrophobicContact CE1-CD2 4.33Å; F507-F547 AromaticContact CE1-CG 3.91Å; F507-F547 HydrophobicContact CE1-CG 3.91Å; F507-F547 HydrophobicContact CE2-CB 3.65Å; F507-F547 HydrophobicContact CE2-CD1 4.43Å; F507-F547 AromaticContact CE2-CD2 3.03Å; F507-F547 HydrophobicContact CE2-CD2 3.03Å; F507-F547 AromaticContact CE2-CE2 3.7Å; F507-F547 HydrophobicContact CE2-CE2 3.7Å; F507-F547 AromaticContact CE2-CG 3.47Å; F507-F547 HydrophobicContact CE2-CG 3.47Å; F507-F547 VanDerWaalsContact CE2-CG 3.47Å; F507-F547 HydrophobicContact CG-CB 4.25Å; F507-F547 HydrophobicContact CZ-CB 3.18Å; F507-F547 AromaticContact CZ-CD1 3.88Å; F507-F547 HydrophobicContact CZ-CD1 3.88Å; F507-F547 AromaticContact CZ-CD2 3.32Å; F507-F547 HydrophobicContact CZ-CD2 3.32Å; F507-F547 HydrophobicContact CZ-CE2 4.07Å; F507-F547 AromaticContact CZ-CG 3.18Å; F507-F547 HydrophobicContact CZ-CG 3.18Å; F507-F547 PolarHBondContact N-O 3.22Å; F507-F547 VanDerWaalsContact N-O 3.13Å; F507-F547 PolarHBondContact O-N 3.47Å; L509-F547 HydrophobicContact CD1-CD2 4.03Å; L509-F547 HydrophobicContact CD1-CE2 3.63Å; I545-F547 HydrophobicContact CB-CE2 4.46Å; I545-F547 HydrophobicContact CG2-CD2 4.11Å; I545-F547 HydrophobicContact CG2-CE2 3.43Å; I545-F547 VanDerWaalsContact CG2-CE2 3.43Å; I545-F547 HydrophobicContact CG2-CZ 3.89Å; F547-F610 WeakPolarHBondContact CA-O 3.44Å; F547-F610 HydrophobicContact CD1-CB 3.64Å; F547-F610 HydrophobicContact CD1-CD2 4.47Å; F547-F610 HydrophobicContact CD1-CG 4.28Å; F547-F610 HydrophobicContact CE1-CB 3.84Å; F547-F610 HydrophobicContact CE1-CD2 4.01Å; F547-F610 AromaticContact CE1-CG 3.98Å; F547-F610 HydrophobicContact CE1-CG 3.98Å; F547-F610 HydrophobicContact CG-CB 4.38Å; F547-F610 HydrophobicContact CZ-CD2 4.15Å; F547-L612 HydrophobicContact CB-CD1 3.87Å; F547-L612 HydrophobicContact CB-CG 4.31Å; F547-L612 HydrophobicContact CD1-CD1 4.1Å; F547-L612 HydrophobicContact CD1-CD2 3.99Å; F547-L612 HydrophobicContact CD1-CG 4.09Å; F547-L612 HydrophobicContact CG-CD1 4.41Å
548	L	42.7	Very low	41.6	Very low	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.8	-178.8	-65.8	174	0	0	0	111.2	S506 V546 I554 F555 M558 L609 F610 L611 L612	S506-L548 WeakPolarHBondContact OG-CD2 3.39Å; V546-L548 HydrophobicContact CG1-CD2 4.22Å; V546-L548 HydrophobicContact CG1-CG 4.04Å; L548-I554 HydrophobicContact CD2-CG2 4.09Å; L548-F555 HydrophobicContact CD1-CB 3.91Å; L548-F555 HydrophobicContact CD1-CD2 3.95Å; L548-F555 HydrophobicContact CD1-CG 4.44Å; L548-M558 HydrophobicContact CD1-CE 4.03Å; L548-M558 HydrophobicContact CD1-SD 3.66Å; L548-M558 HydrophobicContact CD2-SD 4.14Å; L548-M558 HydrophobicContact CG-SD 4.37Å; L548-L609 HydrophobicContact CD1-CD1 3.87Å; L548-L609 HydrophobicContact CG-CD1 4.28Å; L548-F610 PolarHBondContact N-O 2.88Å; L548-L611 HydrophobicContact CB-CD2 4.3Å; L548-L611 WeakPolarHBondContact O-CA 3.45Å; L548-L612 PolarHBondContact O-N 2.97Å
549	P	40.9	Very low	41.4	Very low	31 Å²	31	53 Å²	53	20%	0.201	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	138	161	-8.5	22.9	0	0	0	109.5	E504 S506 N551 S552	E504-P549 VanDerWaalsContact O-CG 3.28Å; E504-P549 WeakPolarHBondContact O-CG 3.25Å; S506-P549 VanDerWaalsContact OG-CD 3.24Å; S506-P549 WeakPolarHBondContact OG-CD 3.41Å; P549-N551 PolarHBondContact O-N 3.07Å; P549-N551 VanDerWaalsContact O-N 3.16Å; P549-S552 PolarHBondContact O-N 3.21Å; P549-S552 VanDerWaalsContact O-N 3.11Å; P549-S552 PolarHBondContact O-OG 2.94Å
550	E	36.7	Very low	41.2	Very low	79 Å²	79	54.4 Å²	54.4	37%	0.369	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-33.2	179.7	-171	175.5	-166.7	0	0	112.9	S552 T613	E550-S552 PolarHBondContact O-N 3.28Å; E550-T613 WeakPolarHBondContact OE2-CG2 3.33Å
551	N	31.6	Very low	41.1	Very low	152 Å²	152	52.7 Å²	52.7	81%	0.813	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	13	-177.7	-66.2	-22.6	0	0	0	114.6	P549	P549-N551 PolarHBondContact O-N 3.07Å; P549-N551 VanDerWaalsContact O-N 3.16Å
552	S	39.7	Very low	40.9	Very low	15 Å²	15	49.7 Å²	49.7	11%	0.105	25%	0.254	C	S	.	.			trans	-84	126.8	179.7	69.4	0	0	0	0	112.1	P549 E550 I554 F555	P549-S552 PolarHBondContact O-N 3.21Å; P549-S552 VanDerWaalsContact O-N 3.11Å; P549-S552 PolarHBondContact O-OG 2.94Å; E550-S552 PolarHBondContact O-N 3.28Å; S552-I554 PolarHBondContact O-N 2.96Å; S552-F555 VanDerWaalsContact O-CB 3.31Å; S552-F555 WeakPolarHBondContact O-CB 3.17Å; S552-F555 PolarHBondContact O-N 3.23Å
553	D	38.5	Very low	40.2	Very low	127 Å²	127	52.6 Å²	52.6	68%	0.679	28%	0.275	S	S	*	.	H	α-helix	trans	-54.4	-28.3	171.1	-70.6	-29.2	0	0	0	112.1	F555 Y556 Q557	D553-F555 PolarHBondContact O-N 2.99Å; D553-Y556 PolarHBondContact O-N 3.25Å; D553-Q557 PolarHBondContact O-N 3.22Å
554	I	37.4	Very low	39.3	Very low	31 Å²	31	58 Å²	58	16%	0.159	30%	0.301	C	S	.	.	H	α-helix	trans	-56	-35.5	175.3	-59.1	177	0	0	0	111.3	P530 L548 S552 Q557 M558	P530-I554 HydrophobicContact CB-CG2 4.29Å; L548-I554 HydrophobicContact CD2-CG2 4.09Å; S552-I554 PolarHBondContact O-N 2.96Å; I554-Q557 PolarHBondContact O-N 2.97Å; I554-M558 HydrophobicContact CG2-CG 4.33Å; I554-M558 HydrophobicContact CG2-SD 3.89Å; I554-M558 WeakPolarHBondContact O-CB 3.43Å; I554-M558 VanDerWaalsContact O-CG 3.32Å; I554-M558 WeakPolarHBondContact O-CG 3.29Å; I554-M558 PolarHBondContact O-N 2.88Å
555	F	40.2	Very low	38.2	Very low	34 Å²	34	63 Å²	63	15%	0.149	33%	0.331	C	S	.	.	H	α-helix	trans	-59.8	-48.7	177.1	172.6	-104.5	0	0	0	112.3	L548 S552 D553 Q557 M558 L559 L609 L611	L548-F555 HydrophobicContact CD1-CB 3.91Å; L548-F555 HydrophobicContact CD1-CD2 3.95Å; L548-F555 HydrophobicContact CD1-CG 4.44Å; S552-F555 VanDerWaalsContact O-CB 3.31Å; S552-F555 WeakPolarHBondContact O-CB 3.17Å; S552-F555 PolarHBondContact O-N 3.23Å; D553-F555 PolarHBondContact O-N 2.99Å; F555-Q557 VanDerWaalsContact C-N 3.33Å; F555-Q557 PolarHBondContact O-N 3.28Å; F555-M558 PolarHBondContact O-N 3.35Å; F555-L559 HydrophobicContact CD1-CD1 4.03Å; F555-L559 HydrophobicContact CE1-CD1 3.4Å; F555-L559 HydrophobicContact CE1-CG 4.18Å; F555-L559 HydrophobicContact CE2-CD1 4.28Å; F555-L559 HydrophobicContact CE2-CD2 4.45Å; F555-L559 HydrophobicContact CE2-CG 4.29Å; F555-L559 HydrophobicContact CZ-CD1 3.56Å; F555-L559 HydrophobicContact CZ-CD2 4.32Å; F555-L559 HydrophobicContact CZ-CG 4.05Å; F555-L559 WeakPolarHBondContact O-CG 2.96Å; F555-L559 PolarHBondContact O-N 2.87Å; F555-L609 HydrophobicContact CD2-CD2 4.11Å; F555-L609 HydrophobicContact CE2-CD2 3.74Å; F555-L611 HydrophobicContact CD2-CD2 3.6Å; F555-L611 HydrophobicContact CE2-CD1 4.05Å; F555-L611 HydrophobicContact CE2-CD2 3.66Å; F555-L611 HydrophobicContact CE2-CG 4.15Å; F555-L611 HydrophobicContact CG-CD2 4.27Å; F555-L611 HydrophobicContact CZ-CD1 4.13Å; F555-L611 HydrophobicContact CZ-CD2 4.39Å
556	Y	41.8	Very low	37.2	Very low	150 Å²	150	68.9 Å²	68.9	59%	0.588	36%	0.362	S	S	*	.	H	α-helix	trans	-66.3	-37.7	179.4	-68.1	-74.4	0	0	0	111.7	D553 M558 L559 N560	D553-Y556 PolarHBondContact O-N 3.25Å; Y556-M558 VanDerWaalsContact C-N 3.33Å; Y556-M558 PolarHBondContact O-N 3.49Å; Y556-L559 PolarHBondContact O-N 3.36Å; Y556-N560 PolarHBondContact O-N 3.1Å
557	Q	37.2	Very low	36.2	Very low	96 Å²	96	75.6 Å²	75.6	45%	0.449	39%	0.391	S	S	.	.	H	α-helix	trans	-62.7	-40.3	173.7	-64.8	177.8	10.3	0	0	111.8	S531 D553 I554 F555 N560	S531-Q557 PolarHBondContact OG-OE1 3Å; D553-Q557 PolarHBondContact O-N 3.22Å; I554-Q557 PolarHBondContact O-N 2.97Å; F555-Q557 VanDerWaalsContact C-N 3.33Å; F555-Q557 PolarHBondContact O-N 3.28Å; Q557-N560 WeakPolarHBondContact O-CB 3.34Å; Q557-N560 PolarHBondContact O-N 3.39Å
558	M	43.3	Very low	35.2	Very low	1 Å²	1	81.4 Å²	81.4	1%	0.005	43%	0.429	C	S	.	.	H	α-helix	trans	-68.2	-34	176.2	-78.4	178.1	58.1	0	0	113.5	W534 V546 L548 I554 F555 Y556 N560 C561 L609	W534-M558 HydrophobicContact CB-CE 3.45Å; W534-M558 VanDerWaalsContact CB-CE 3.45Å; W534-M558 HydrophobicContact CB-CG 3.9Å; W534-M558 HydrophobicContact CB-SD 3.95Å; W534-M558 HydrophobicContact CD2-CE 3.29Å; W534-M558 HydrophobicContact CE3-CE 3.72Å; W534-M558 HydrophobicContact CG-CB 4.19Å; W534-M558 HydrophobicContact CG-CE 3.18Å; W534-M558 HydrophobicContact CG-CG 3.82Å; W534-M558 HydrophobicContact CG-SD 4.1Å; W534-M558 HydrophobicContact CZ3-CE 4.48Å; W534-M558 PolarHBondContact NE1-O 3.27Å; W534-M558 VanDerWaalsContact NE1-O 3.1Å; V546-M558 HydrophobicContact CB-CE 4.03Å; V546-M558 HydrophobicContact CG1-CE 3.54Å; V546-M558 HydrophobicContact CG1-SD 4.34Å; V546-M558 HydrophobicContact CG2-CE 4.13Å; L548-M558 HydrophobicContact CD1-CE 4.03Å; L548-M558 HydrophobicContact CD1-SD 3.66Å; L548-M558 HydrophobicContact CD2-SD 4.14Å; L548-M558 HydrophobicContact CG-SD 4.37Å; I554-M558 HydrophobicContact CG2-CG 4.33Å; I554-M558 HydrophobicContact CG2-SD 3.89Å; I554-M558 WeakPolarHBondContact O-CB 3.43Å; I554-M558 VanDerWaalsContact O-CG 3.32Å; I554-M558 WeakPolarHBondContact O-CG 3.29Å; I554-M558 PolarHBondContact O-N 2.88Å; F555-M558 PolarHBondContact O-N 3.35Å; Y556-M558 VanDerWaalsContact C-N 3.33Å; Y556-M558 PolarHBondContact O-N 3.49Å; M558-N560 VanDerWaalsContact C-N 3.33Å; M558-C561 PolarHBondContact O-N 2Å; M558-L609 HydrophobicContact CE-CD1 3.99Å
559	L	41.9	Very low	34.4	Very low	53 Å²	53	90.6 Å²	90.6	28%	0.277	47%	0.469	S	S	.	.	H	α-helix	trans	-66.2	-33.3	173.8	-74.8	-180	0	0	0	112.4	F555 Y556 C561 L562	F555-L559 HydrophobicContact CD1-CD1 4.03Å; F555-L559 HydrophobicContact CE1-CD1 3.4Å; F555-L559 HydrophobicContact CE1-CG 4.18Å; F555-L559 HydrophobicContact CE2-CD1 4.28Å; F555-L559 HydrophobicContact CE2-CD2 4.45Å; F555-L559 HydrophobicContact CE2-CG 4.29Å; F555-L559 HydrophobicContact CZ-CD1 3.56Å; F555-L559 HydrophobicContact CZ-CD2 4.32Å; F555-L559 HydrophobicContact CZ-CG 4.05Å; F555-L559 WeakPolarHBondContact O-CG 2.96Å; F555-L559 PolarHBondContact O-N 2.87Å; Y556-L559 PolarHBondContact O-N 3.36Å; L559-C561 PolarHBondContact O-N 3.02Å; L559-L562 HydrophobicContact CD2-CD1 3.66Å; L559-L562 VanDerWaalsContact O-CB 3.27Å; L559-L562 WeakPolarHBondContact O-CB 3.4Å; L559-L562 PolarHBondContact O-N 2.07Å
560	N	41	Very low	33.6	Very low	112 Å²	112	99.2 Å²	99.2	60%	0.599	50%	0.498	S	S	*	.	H	α-helix	trans	-64.3	-23.8	177.3	-70.8	-24.1	0	0	0	113.1	Y556 Q557 M558 L562	Y556-N560 PolarHBondContact O-N 3.1Å; Q557-N560 WeakPolarHBondContact O-CB 3.34Å; Q557-N560 PolarHBondContact O-N 3.39Å; M558-N560 VanDerWaalsContact C-N 3.33Å; N560-L562 VanDerWaalsContact C-N 3.28Å
561	C	41.8	Very low	32.9	Very low	47 Å²	47	100.4 Å²	100.4	32%	0.318	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-10.2	174.4	-67.6	0	0	0	0	113.6	C535 M558 L559	C535-C561 HydrophobicContact CB-CB 3.68Å; C535-C561 WeakPolarHBondContact CB-SG 3.5Å; C535-C561 WeakPolarHBondContact SG-CB 3Å; C535-C561 CovalentContact SG-SG 2Å; C535-C561 PolarHBondContact SG-SG 2.87Å; M558-C561 PolarHBondContact O-N 2Å; L559-C561 PolarHBondContact O-N 3.02Å
562	L	39.4	Very low	32.6	Very low	15 Å²	15	96.3 Å²	96.3	8%	0.079	49%	0.492	C	S	.	.	S	Bend	trans	-77.1	126.8	166.4	-56.6	175.2	0	0	0	107.3	W534 L559 N560 L564 I597	W534-L562 HydrophobicContact CZ2-CD2 4.34Å; L559-L562 HydrophobicContact CD2-CD1 3.66Å; L559-L562 VanDerWaalsContact O-CB 3.27Å; L559-L562 WeakPolarHBondContact O-CB 3.4Å; L559-L562 PolarHBondContact O-N 2.07Å; N560-L562 VanDerWaalsContact C-N 3.28Å; L562-L564 PolarHBondContact O-N 2.84Å; L562-I597 HydrophobicContact CD1-CD1 4.43Å; L562-I597 HydrophobicContact CD2-CD1 3.45Å; L562-I597 VanDerWaalsContact CD2-CD1 3.45Å; L562-I597 HydrophobicContact CD2-CG1 4.44Å
563	P	31.1	Very low	31.9	Very low	86 Å²	86	100 Å²	100	56%	0.558	51%	0.514	S	S	*	.			trans	-57.9	105	-176.4	20.6	-31	0	0	0	110.2	T565 I572	P563-T565 PolarHBondContact O-N 3.46Å; P563-I572 HydrophobicContact CG-CD1 3.85Å
564	L	26.1	Very low	31.3	Very low	122 Å²	122	100.3 Å²	100.3	64%	0.639	51%	0.505	S	S	*	.			trans	-73.1	-11.3	-171.8	-89.4	161.7	0	0	0	113.7	L562	L562-L564 PolarHBondContact O-N 2.84Å
565	T	21.4	Very low	30.8	Very low	105 Å²	105	99.6 Å²	99.6	64%	0.644	50%	0.504	S	S	*	.			trans	-98.2	102.3	173.5	25.4	0	0	0	0	110.5	P563 K567	P563-T565 PolarHBondContact O-N 3.46Å; T565-K567 PolarHBondContact O-N 2.96Å
566	L	22.4	Very low	30.1	Very low	164 Å²	164	100 Å²	100	86%	0.859	51%	0.51	S	S	*	.			trans	-59	62.7	159.4	-77.3	153.5	0	0	0	110.2	T568	L566-T568 PolarHBondContact O-N 2.71Å
567	K	21.9	Very low	29.3	Very low	141 Å²	141	94.2 Å²	94.2	61%	0.613	49%	0.49	S	S	*	.			trans	-67.7	115.9	169.3	-80.8	-178.2	-179.8	174.9	0	106.5	D227 T565 K569	D227-K567 IonicContact OD1-NZ 3.73Å; T565-K567 PolarHBondContact O-N 2.96Å; K567-K569 PolarHBondContact O-N 3.4Å
568	T	23.1	Very low	28.7	Very low	149 Å²	149	93.6 Å²	93.6	91%	0.914	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	1.9	-173	35.5	0	0	0	0	116.8	L566	L566-T568 PolarHBondContact O-N 2.71Å
569	K	25.4	Very low	27.8	Very low	192 Å²	192	96 Å²	96	84%	0.835	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-23	179.9	-80.6	-172.6	174.9	179.3	0	114.5	K567	K567-K569 PolarHBondContact O-N 3.4Å
570	R	23.4	Very low	26.9	Very low	213 Å²	213	99.6 Å²	99.6	80%	0.804	52%	0.519	S	S	*	.	S	Bend	trans	-151	110.1	179.8	-62.6	-174.9	-177.2	164.3	3.5	111.8	I572	R570-I572 PolarHBondContact O-N 3.01Å; R570-I572 VanDerWaalsContact O-N 3.09Å
571	S	22.5	Very low	26.2	Very low	103 Å²	103	96.5 Å²	96.5	72%	0.72	51%	0.509	S	S	*	.			trans	-69.5	104.8	177.5	51	0	0	0	0	111.2	V573	S571-V573 PolarHBondContact O-N 3.41Å
572	I	25.2	Very low	25.3	Very low	66 Å²	66	102 Å²	102	34%	0.338	53%	0.533	S	S	.	.			trans	-70.6	112.5	154.2	-62.9	173.4	0	0	0	104.8	P563 R570 R574	P563-I572 HydrophobicContact CG-CD1 3.85Å; R570-I572 PolarHBondContact O-N 3.01Å; R570-I572 VanDerWaalsContact O-N 3.09Å; I572-R574 PolarHBondContact O-N 3.37Å; I572-R574 VanDerWaalsContact O-N 3.15Å
573	V	24.2	Very low	24.6	Very low	94 Å²	94	103.6 Å²	103.6	57%	0.57	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76	104	175.1	-179.5	0	0	0	0	106.7	S571	S571-V573 PolarHBondContact O-N 3.41Å
574	R	26.1	Very low	24.2	Very low	132 Å²	132	108.9 Å²	108.9	50%	0.498	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.9	119.5	161.4	-84.7	-176.1	171.8	174.3	-2	107.4	I572	I572-R574 PolarHBondContact O-N 3.37Å; I572-R574 VanDerWaalsContact O-N 3.15Å
575	S	27	Very low	24.2	Very low	17 Å²	17	112.2 Å²	112.2	12%	0.119	58%	0.583	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-109	98.7	152	57.9	0	0	0	0	106.6	E596 L633	S575-E596 PolarHBondContact O-N 3.18Å; S575-L633 VanDerWaalsContact OG-CD2 3.3Å; S575-L633 WeakPolarHBondContact OG-CD2 3.13Å
576	C	25.4	Very low	24.4	Very low	42 Å²	42	114.9 Å²	114.9	28%	0.284	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96	113.3	160.9	-62.7	0	0	0	0	105.3	V594 C595	C576-V594 WeakPolarHBondContact CA-O 3.47Å; C576-C595 HydrophobicContact CB-CB 4.34Å; C576-C595 WeakPolarHBondContact CB-SG 3.38Å; C576-C595 WeakPolarHBondContact SG-CB 3.34Å; C576-C595 CovalentContact SG-SG 2.07Å; C576-C595 PolarHBondContact SG-SG 2.81Å
577	T	25.1	Very low	24.5	Very low	28 Å²	28	110.2 Å²	110.2	17%	0.172	57%	0.569	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.6	120.4	178.6	-52.3	0	0	0	0	107.7	I579 V594 V634	T577-I579 PolarHBondContact O-N 2.98Å; T577-V594 PolarHBondContact N-O 2.83Å; T577-V634 HydrophobicContact CG2-CB 4.42Å; T577-V634 HydrophobicContact CG2-CG2 3.87Å
578	H	24.2	Very low	24.5	Very low	84 Å²	84	110.4 Å²	110.4	39%	0.389	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.9	111.3	165	-167	-101.4	0	0	0	106.9	D580	H578-D580 VanDerWaalsContact CE1-CG 3.49Å; H578-D580 IonicContact CE1-OD1 3.51Å; H578-D580 PolarHBondContact CE1-OD1 2.88Å; H578-D580 IonicContact CE1-OD2 2.88Å; H578-D580 IonicContact ND1-OD1 3.43Å; H578-D580 PolarHBondContact ND1-OD1 3.12Å; H578-D580 IonicContact ND1-OD2 3.24Å; H578-D580 PolarHBondContact ND1-OD2 3.31Å; H578-D580 PolarHBondContact O-N 3.34Å
579	I	25.6	Very low	24.6	Very low	52 Å²	52	106.3 Å²	106.3	27%	0.267	56%	0.564	S	S	.	*			trans	-90.2	90.3	172.3	-54.8	177.1	0	0	0	105.9	T577 A581 V594 P631	T577-I579 PolarHBondContact O-N 2.98Å; I579-A581 PolarHBondContact O-N 3.43Å; I579-V594 HydrophobicContact CD1-CG2 4.34Å; I579-P631 HydrophobicContact CD1-CB 3.88Å; I579-P631 HydrophobicContact CD1-CG 4.08Å
580	D	22.4	Very low	24.5	Very low	127 Å²	127	100.2 Å²	100.2	68%	0.679	54%	0.541	S	S	*	.			trans	-62.4	117.1	161.1	-78.6	-56.4	0	0	0	107.1	H578	H578-D580 VanDerWaalsContact CE1-CG 3.49Å; H578-D580 IonicContact CE1-OD1 3.51Å; H578-D580 PolarHBondContact CE1-OD1 2.88Å; H578-D580 IonicContact CE1-OD2 2.88Å; H578-D580 IonicContact ND1-OD1 3.43Å; H578-D580 PolarHBondContact ND1-OD1 3.12Å; H578-D580 IonicContact ND1-OD2 3.24Å; H578-D580 PolarHBondContact ND1-OD2 3.31Å; H578-D580 PolarHBondContact O-N 3.34Å
581	A	26.1	Very low	24.7	Very low	48 Å²	48	94.9 Å²	94.9	40%	0.397	53%	0.525	S	S	.	.			trans	-54.8	142.1	-169.5	0	0	0	0	0	112.5	I579 G583	I579-A581 PolarHBondContact O-N 3.43Å; A581-G583 PolarHBondContact O-N 2.89Å
582	I	24.1	Very low	24.9	Very low	161 Å²	161	93 Å²	93	83%	0.826	50%	0.502	S	S	*	.	S	Bend	trans	-63.7	110.2	-176.8	-64.8	162.3	0	0	0	109.2
583	G	23.3	Very low	25	Very low	49 Å²	49	94.5 Å²	94.5	51%	0.505	50%	0.504	S	S	.	.			trans	91.3	112.6	164.4	0	0	0	0	0	115	A581 Q585 C587	A581-G583 PolarHBondContact O-N 2.89Å; G583-Q585 PolarHBondContact O-N 3.19Å; G583-C587 PolarHBondContact O-SG 2.98Å
584	E	23.6	Very low	25.3	Very low	197 Å²	197	91.2 Å²	91.2	92%	0.921	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-5.2	-176.7	-81.7	178.5	151.2	0	0	116.7
585	Q	26	Very low	25.4	Very low	192 Å²	192	86.4 Å²	86.4	90%	0.897	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-8	-171.6	-70.6	-166.5	-18.8	0	0	115.9	G583	G583-Q585 PolarHBondContact O-N 3.19Å
586	E	25.9	Very low	25.6	Very low	162 Å²	162	86.4 Å²	86.4	76%	0.757	47%	0.469	S	S	*	.	S	Bend	trans	-134.5	17.3	-179.6	-64.8	-174.7	164.3	0	0	114.1	N588	E586-N588 PolarHBondContact O-N 2.95Å
587	C	24.2	Very low	25.9	Very low	65 Å²	65	86.2 Å²	86.2	44%	0.439	46%	0.464	S	S	.	.			trans	-90.7	82.1	-170.8	-72.3	0	0	0	0	114.1	G583 G589	G583-C587 PolarHBondContact O-SG 2.98Å; C587-G589 VanDerWaalsContact C-N 3.33Å; C587-G589 PolarHBondContact O-N 2.76Å
588	N	22.6	Very low	26.2	Very low	145 Å²	145	90.3 Å²	90.3	78%	0.775	48%	0.477	S	S	*	.			trans	-85.6	80	152	-88.8	-13.9	0	0	0	109.6	E586 N590	E586-N588 PolarHBondContact O-N 2.95Å; N588-N590 PolarHBondContact O-N 2.85Å; N588-N590 VanDerWaalsContact O-N 3.15Å
589	G	23.7	Very low	26.4	Very low	63 Å²	63	94.6 Å²	94.6	65%	0.649	49%	0.49	S	S	*	.	S	Bend	trans	74.1	2.9	141.2	0	0	0	0	0	122.1	C587	C587-G589 VanDerWaalsContact C-N 3.33Å; C587-G589 PolarHBondContact O-N 2.76Å
590	N	23.6	Very low	26.6	Very low	65 Å²	65	95 Å²	95	35%	0.348	51%	0.507	S	S	.	.			trans	-92	126.3	-174.8	-66.3	-29.4	0	0	0	113.7	N588	N588-N590 PolarHBondContact O-N 2.85Å; N588-N590 VanDerWaalsContact O-N 3.15Å
591	Q	28.7	Very low	26.9	Very low	100 Å²	100	101.8 Å²	101.8	47%	0.467	52%	0.523	S	S	.	.			trans	-97.7	142.3	-172.2	-60.7	174.6	-4.2	0	0	110.8	T613	Q591-T613 WeakPolarHBondContact O-CG2 3.27Å
592	Y	27	Very low	27	Very low	64 Å²	64	103.5 Å²	103.5	25%	0.251	53%	0.532	S	S	.	.			trans	-126.7	129.7	178.2	-58.1	-87.5	0	0	0	110.8	T613	Y592-T613 HydrophobicContact CE1-CG2 4.49Å; Y592-T613 VanDerWaalsContact CE1-OG1 3.3Å; Y592-T613 WeakPolarHBondContact CE1-OG1 2.99Å
593	Y	27.1	Very low	27.2	Very low	98 Å²	98	107 Å²	107	38%	0.384	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121	172.7	-63.3	-85.4	0	0	0	111	L611	Y593-L611 HydrophobicContact CD2-CD1 3.98Å; Y593-L611 HydrophobicContact CG-CD1 4.45Å
594	V	29.4	Very low	27.6	Very low	24 Å²	24	107.2 Å²	107.2	15%	0.145	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	116.7	167.8	-177.4	0	0	0	0	107.5	C576 T577 I579 F610 P631	C576-V594 WeakPolarHBondContact CA-O 3.47Å; T577-V594 PolarHBondContact N-O 2.83Å; I579-V594 HydrophobicContact CD1-CG2 4.34Å; V594-F610 HydrophobicContact CG1-CE1 4.12Å; V594-F610 HydrophobicContact CG1-CZ 4.49Å; V594-F610 HydrophobicContact CG2-CD1 4.06Å; V594-F610 HydrophobicContact CG2-CE1 4.04Å; V594-P631 HydrophobicContact CG1-CG 4.39Å; V594-P631 HydrophobicContact CG2-CG 4.12Å
595	C	29.2	Very low	28.2	Very low	32 Å²	32	101.4 Å²	101.4	22%	0.216	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119.4	177.9	-69.4	0	0	0	0	110.1	C576	C576-C595 HydrophobicContact CB-CB 4.34Å; C576-C595 WeakPolarHBondContact CB-SG 3.38Å; C576-C595 WeakPolarHBondContact SG-CB 3.34Å; C576-C595 CovalentContact SG-SG 2.07Å; C576-C595 PolarHBondContact SG-SG 2.81Å
596	E	30.1	Very low	28.7	Very low	17 Å²	17	98.9 Å²	98.9	8%	0.079	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	127.2	168.8	-171.8	-178	-172.8	0	0	109.5	S575 R598 F608 L633	S575-E596 PolarHBondContact O-N 3.18Å; E596-R598 VanDerWaalsContact CD-NH2 3.27Å; E596-R598 HydrophobicContact CG-CG 4.14Å; E596-R598 IonicContact OE1-CZ 3Å; E596-R598 IonicContact OE1-NE 2.98Å; E596-R598 PolarHBondContact OE1-NE 2.95Å; E596-R598 IonicContact OE1-NH2 3.41Å; E596-R598 PolarHBondContact OE1-NH2 3.23Å; E596-R598 IonicContact OE2-CZ 3.46Å; E596-R598 IonicContact OE2-NE 3.19Å; E596-R598 PolarHBondContact OE2-NE 3.31Å; E596-R598 IonicContact OE2-NH2 2.91Å; E596-R598 PolarHBondContact OE2-NH2 3.49Å; E596-F608 HydrophobicContact CB-CE1 4.42Å; E596-F608 HydrophobicContact CG-CE1 4Å; E596-L633 WeakPolarHBondContact OE2-CD2 3.12Å
597	I	31.8	Very low	29.3	Very low	37 Å²	37	91.7 Å²	91.7	19%	0.19	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	107.5	178.5	-58.7	162.4	0	0	0	108.8	W534 L562	W534-I597 HydrophobicContact CH2-CD1 4Å; W534-I597 HydrophobicContact CZ2-CD1 3.85Å; L562-I597 HydrophobicContact CD1-CD1 4.43Å; L562-I597 HydrophobicContact CD2-CD1 3.45Å; L562-I597 VanDerWaalsContact CD2-CD1 3.45Å; L562-I597 HydrophobicContact CD2-CG1 4.44Å
598	R	31.2	Very low	29.9	Very low	114 Å²	114	90.9 Å²	90.9	43%	0.43	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.7	176.7	-67.3	-174.3	177	164.8	11	111.8	E596	E596-R598 VanDerWaalsContact CD-NH2 3.27Å; E596-R598 HydrophobicContact CG-CG 4.14Å; E596-R598 IonicContact OE1-CZ 3Å; E596-R598 IonicContact OE1-NE 2.98Å; E596-R598 PolarHBondContact OE1-NE 2.95Å; E596-R598 IonicContact OE1-NH2 3.41Å; E596-R598 PolarHBondContact OE1-NH2 3.23Å; E596-R598 IonicContact OE2-CZ 3.46Å; E596-R598 IonicContact OE2-NE 3.19Å; E596-R598 PolarHBondContact OE2-NE 3.31Å; E596-R598 IonicContact OE2-NH2 2.91Å; E596-R598 PolarHBondContact OE2-NH2 3.49Å
599	R	27.9	Very low	30.6	Very low	175 Å²	175	84.6 Å²	84.6	66%	0.66	41%	0.413	S	S	*	.			trans	-106.2	88.5	173	-147.7	-179.1	-173.9	-172.1	2.4	112
600	G	30.4	Very low	31.3	Very low	61 Å²	61	84.4 Å²	84.4	63%	0.629	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	-167.6	163.3	0	0	0	0	0	117.1	S602	G600-S602 PolarHBondContact O-N 3.35Å
601	R	28.8	Very low	31.7	Very low	269 Å²	269	82.1 Å²	82.1	100%	1.015	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	18.6	-173.7	-70.8	-174	177.9	176.7	0	115.5
602	S	28.5	Very low	32	Very low	84 Å²	84	79.7 Å²	79.7	59%	0.587	37%	0.372	S	S	*	.			trans	-95.1	127.4	174.7	177.6	0	0	0	0	109.6	G600 A604	G600-S602 PolarHBondContact O-N 3.35Å; S602-A604 PolarHBondContact O-N 3.3Å
603	R	28.1	Very low	32.2	Very low	234 Å²	234	77 Å²	77	88%	0.883	36%	0.362	S	S	*	.			trans	-67.7	28.7	-176.6	-99.1	-173.8	177.3	-174.7	-0.7	115.4
604	A	31.7	Very low	32.2	Very low	54 Å²	54	78.8 Å²	78.8	45%	0.446	38%	0.378	S	S	.	.			trans	-119.7	121.2	-165.9	0	0	0	0	0	114.3	S602	S602-A604 PolarHBondContact O-N 3.3Å
605	D	36.7	Very low	32	Very low	75 Å²	75	83.9 Å²	83.9	40%	0.401	40%	0.395	S	S	.	.			trans	52.1	124.6	151.3	-60.3	-19.7	0	0	0	119.3	K512	K512-D605 IonicContact NZ-OD1 3.73Å; K512-D605 PolarHBondContact NZ-OD1 3.38Å; K512-D605 IonicContact NZ-OD2 2.9Å; K512-D605 PolarHBondContact NZ-OD2 3.41Å
606	W	36.9	Very low	32	Very low	138 Å²	138	83 Å²	83	52%	0.523	39%	0.389	S	S	.	.			trans	-102.4	137.4	-172.9	-53.5	-32.1	0	0	0	111.8	G543 C544 F608	G543-W606 VanDerWaalsContact CA-O 3.3Å; G543-W606 WeakPolarHBondContact CA-O 3.48Å; C544-W606 PolarHBondContact N-O 2.85Å; W606-F608 HydrophobicContact CB-CD2 4.38Å; W606-F608 HydrophobicContact CB-CE2 3.62Å; W606-F608 HydrophobicContact CB-CZ 3.99Å; W606-F608 HydrophobicContact CD2-CZ 4.45Å; W606-F608 HydrophobicContact CE3-CE2 4.17Å; W606-F608 HydrophobicContact CE3-CZ 4.18Å; W606-F608 HydrophobicContact CG-CE2 4.4Å; W606-F608 HydrophobicContact CG-CZ 4.42Å
607	C	37.8	Very low	31.7	Very low	12 Å²	12	84.6 Å²	84.6	8%	0.081	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.6	163.7	-82.9	0	0	0	0	111.1	W534 I542 C544	W534-C607 HydrophobicContact CH2-CB 4.15Å; W534-C607 HydrophobicContact CZ3-CB 4.01Å; I542-C607 PolarHBondContact O-SG 2.87Å; C544-C607 HydrophobicContact CB-CB 4.47Å; C544-C607 WeakPolarHBondContact CB-SG 3.32Å; C544-C607 PolarHBondContact N-SG 3.26Å; C544-C607 CarbonylContact O-C 3.59Å; C544-C607 WeakPolarHBondContact O-CA 3.3Å; C544-C607 WeakPolarHBondContact SG-CB 3.22Å; C544-C607 CovalentContact SG-SG 2.07Å; C544-C607 PolarHBondContact SG-SG 3.49Å
608	F	37.8	Very low	31.4	Very low	48 Å²	48	88 Å²	88	21%	0.211	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.2	178.7	-62.1	-83.6	0	0	0	110.8	C544 I545 V546 E596 W606 F610	C544-F608 PolarHBondContact O-N 2.88Å; I545-F608 WeakPolarHBondContact CA-O 3.33Å; I545-F608 HydrophobicContact CG1-CD2 4.39Å; V546-F608 PolarHBondContact N-O 3.35Å; E596-F608 HydrophobicContact CB-CE1 4.42Å; E596-F608 HydrophobicContact CG-CE1 4Å; W606-F608 HydrophobicContact CB-CD2 4.38Å; W606-F608 HydrophobicContact CB-CE2 3.62Å; W606-F608 HydrophobicContact CB-CZ 3.99Å; W606-F608 HydrophobicContact CD2-CZ 4.45Å; W606-F608 HydrophobicContact CE3-CE2 4.17Å; W606-F608 HydrophobicContact CE3-CZ 4.18Å; W606-F608 HydrophobicContact CG-CE2 4.4Å; W606-F608 HydrophobicContact CG-CZ 4.42Å; F608-F610 HydrophobicContact CB-CD2 4.31Å; F608-F610 HydrophobicContact CB-CE2 3.68Å; F608-F610 HydrophobicContact CB-CZ 4.4Å; F608-F610 HydrophobicContact CG-CE2 4.48Å
609	L	36.4	Very low	31.1	Very low	13 Å²	13	88.1 Å²	88.1	7%	0.068	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.9	173.5	-175.9	65.6	0	0	0	109.5	W534 V546 L548 F555 M558	W534-L609 HydrophobicContact CH2-CB 4.41Å; V546-L609 HydrophobicContact CB-CD1 3.91Å; V546-L609 HydrophobicContact CG1-CD1 4.07Å; L548-L609 HydrophobicContact CD1-CD1 3.87Å; L548-L609 HydrophobicContact CG-CD1 4.28Å; F555-L609 HydrophobicContact CD2-CD2 4.11Å; F555-L609 HydrophobicContact CE2-CD2 3.74Å; M558-L609 HydrophobicContact CE-CD1 3.99Å
610	F	38	Very low	31.1	Very low	58 Å²	58	85.7 Å²	85.7	25%	0.254	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.9	176.5	-68.7	-86.4	0	0	0	110.1	I545 V546 F547 L548 V594 F608	I545-F610 HydrophobicContact CG2-CD2 3.81Å; I545-F610 HydrophobicContact CG2-CE2 3.82Å; V546-F610 PolarHBondContact O-N 3.22Å; F547-F610 WeakPolarHBondContact CA-O 3.44Å; F547-F610 HydrophobicContact CD1-CB 3.64Å; F547-F610 HydrophobicContact CD1-CD2 4.47Å; F547-F610 HydrophobicContact CD1-CG 4.28Å; F547-F610 HydrophobicContact CE1-CB 3.84Å; F547-F610 HydrophobicContact CE1-CD2 4.01Å; F547-F610 AromaticContact CE1-CG 3.98Å; F547-F610 HydrophobicContact CE1-CG 3.98Å; F547-F610 HydrophobicContact CG-CB 4.38Å; F547-F610 HydrophobicContact CZ-CD2 4.15Å; L548-F610 PolarHBondContact N-O 2.88Å; V594-F610 HydrophobicContact CG1-CE1 4.12Å; V594-F610 HydrophobicContact CG1-CZ 4.49Å; V594-F610 HydrophobicContact CG2-CD1 4.06Å; V594-F610 HydrophobicContact CG2-CE1 4.04Å; F608-F610 HydrophobicContact CB-CD2 4.31Å; F608-F610 HydrophobicContact CB-CE2 3.68Å; F608-F610 HydrophobicContact CB-CZ 4.4Å; F608-F610 HydrophobicContact CG-CE2 4.48Å
611	L	32.5	Very low	30.9	Very low	17 Å²	17	88.4 Å²	88.4	9%	0.089	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	118.4	169.5	-70.1	176.7	0	0	0	109.4	L548 F555 Y593	L548-L611 HydrophobicContact CB-CD2 4.3Å; L548-L611 WeakPolarHBondContact O-CA 3.45Å; F555-L611 HydrophobicContact CD2-CD2 3.6Å; F555-L611 HydrophobicContact CE2-CD1 4.05Å; F555-L611 HydrophobicContact CE2-CD2 3.66Å; F555-L611 HydrophobicContact CE2-CG 4.15Å; F555-L611 HydrophobicContact CG-CD2 4.27Å; F555-L611 HydrophobicContact CZ-CD1 4.13Å; F555-L611 HydrophobicContact CZ-CD2 4.39Å; Y593-L611 HydrophobicContact CD2-CD1 3.98Å; Y593-L611 HydrophobicContact CG-CD1 4.45Å
612	L	35.9	Very low	30.7	Very low	50 Å²	50	83 Å²	83	26%	0.262	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	109.5	174.7	-65.4	176.3	0	0	0	108.3	F507 F547 L548	F507-L612 HydrophobicContact CE1-CD1 3.85Å; F507-L612 HydrophobicContact CZ-CD1 4.32Å; F547-L612 HydrophobicContact CB-CD1 3.87Å; F547-L612 HydrophobicContact CB-CG 4.31Å; F547-L612 HydrophobicContact CD1-CD1 4.1Å; F547-L612 HydrophobicContact CD1-CD2 3.99Å; F547-L612 HydrophobicContact CD1-CG 4.09Å; F547-L612 HydrophobicContact CG-CD1 4.41Å; L548-L612 PolarHBondContact O-N 2.97Å
613	T	30.9	Very low	30.5	Very low	7 Å²	7	83.7 Å²	83.7	4%	0.043	39%	0.392	C	S	.	.			trans	-88.1	155.2	169	63.4	0	0	0	0	109.3	E550 Q591 Y592 W615 S616	E550-T613 WeakPolarHBondContact OE2-CG2 3.33Å; Q591-T613 WeakPolarHBondContact O-CG2 3.27Å; Y592-T613 HydrophobicContact CE1-CG2 4.49Å; Y592-T613 VanDerWaalsContact CE1-OG1 3.3Å; Y592-T613 WeakPolarHBondContact CE1-OG1 2.99Å; T613-W615 PolarHBondContact O-N 2.97Å; T613-S616 WeakPolarHBondContact O-CB 3.49Å; T613-S616 PolarHBondContact O-N 3.41Å; T613-S616 PolarHBondContact O-OG 3.48Å
614	N	27.2	Very low	30.3	Very low	136 Å²	136	77.7 Å²	77.7	73%	0.727	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-18.9	-177	-76.3	-6.8	0	0	0	114.5
615	W	25.2	Very low	29.9	Very low	131 Å²	131	82.2 Å²	82.2	50%	0.496	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-16.7	179	-82.7	59.5	0	0	0	115	T613 V617 E618 F619	T613-W615 PolarHBondContact O-N 2.97Å; W615-V617 PolarHBondContact O-N 3.42Å; W615-V617 VanDerWaalsContact O-N 3.12Å; W615-E618 PolarHBondContact O-N 3.06Å; W615-F619 PolarHBondContact O-N 3.36Å
616	S	27.6	Very low	29.2	Very low	14 Å²	14	87.2 Å²	87.2	10%	0.098	41%	0.408	C	S	.	.	H	α-helix	trans	-57.7	-29.2	177.9	58.9	0	0	0	0	112	T613 F620	T613-S616 WeakPolarHBondContact O-CB 3.49Å; T613-S616 PolarHBondContact O-N 3.41Å; T613-S616 PolarHBondContact O-OG 3.48Å; S616-F620 WeakPolarHBondContact O-CD2 3.46Å; S616-F620 PolarHBondContact O-N 3.2Å
617	V	25.3	Very low	28.6	Very low	50 Å²	50	87.4 Å²	87.4	30%	0.303	42%	0.415	S	S	.	.	H	α-helix	trans	-69.6	-50.6	179.5	175.7	0	0	0	0	113	S501 W615 F619 F620	S501-V617 VanDerWaalsContact CB-CG1 3.45Å; W615-V617 PolarHBondContact O-N 3.42Å; W615-V617 VanDerWaalsContact O-N 3.12Å; V617-F619 PolarHBondContact O-N 3.4Å; V617-F620 PolarHBondContact O-N 3.33Å
618	E	24.9	Very low	27.9	Very low	108 Å²	108	94.5 Å²	94.5	51%	0.505	45%	0.445	S	S	.	.	H	α-helix	trans	-65.1	-30.1	-179.6	-81.7	-161.8	154.8	0	0	112.5	W615 K622	W615-E618 PolarHBondContact O-N 3.06Å; E618-K622 PolarHBondContact O-N 3.07Å
619	F	25.6	Very low	27.2	Very low	116 Å²	116	101.4 Å²	101.4	51%	0.509	47%	0.471	S	S	.	.	H	α-helix	trans	-74.1	-33.1	-178	-144.6	-94.7	0	0	0	112.6	W615 V617 K622 M623	W615-F619 PolarHBondContact O-N 3.36Å; V617-F619 PolarHBondContact O-N 3.4Å; F619-K622 PolarHBondContact O-N 3.36Å; F619-M623 HydrophobicContact CD1-CE 3.85Å; F619-M623 HydrophobicContact CD1-CG 4.3Å; F619-M623 HydrophobicContact CE1-CE 3.49Å; F619-M623 VanDerWaalsContact CE1-CE 3.49Å; F619-M623 HydrophobicContact CE1-CG 4.4Å; F619-M623 PolarHBondContact O-N 2.88Å
620	F	28	Very low	26.5	Very low	124 Å²	124	108.3 Å²	108.3	54%	0.544	51%	0.505	S	S	.	.	H	α-helix	trans	-68.5	-35	176.6	-88.6	-68.9	0	0	0	112.6	S616 V617	S616-F620 WeakPolarHBondContact O-CD2 3.46Å; S616-F620 PolarHBondContact O-N 3.2Å; V617-F620 PolarHBondContact O-N 3.33Å
621	D	25.6	Very low	25.8	Very low	119 Å²	119	108 Å²	108	64%	0.636	51%	0.509	S	S	*	.	H	α-helix	trans	-72.8	-27.9	177.2	-87.5	-14.4	0	0	0	113.1
622	K	24.2	Very low	25.3	Very low	156 Å²	156	112.1 Å²	112.1	68%	0.678	53%	0.528	S	S	*	.	H	α-helix	trans	-87.2	-8.2	179.2	-70.8	-179.4	-177.3	167	0	114.5	E618 F619 P624	E618-K622 PolarHBondContact O-N 3.07Å; F619-K622 PolarHBondContact O-N 3.36Å; K622-P624 WeakPolarHBondContact O-CD 3.23Å
623	M	23.6	Very low	24.7	Very low	97 Å²	97	114.6 Å²	114.6	48%	0.478	54%	0.54	S	S	.	.			trans	-82.1	107	179.6	-86.2	-153.2	175.7	0	0	112.3	F619 H625	F619-M623 HydrophobicContact CD1-CE 3.85Å; F619-M623 HydrophobicContact CD1-CG 4.3Å; F619-M623 HydrophobicContact CE1-CE 3.49Å; F619-M623 VanDerWaalsContact CE1-CE 3.49Å; F619-M623 HydrophobicContact CE1-CG 4.4Å; F619-M623 PolarHBondContact O-N 2.88Å; M623-H625 VanDerWaalsContact C-N 3.26Å; M623-H625 PolarHBondContact O-N 3.05Å
624	P	24.3	Very low	24.2	Very low	109 Å²	109	118 Å²	118	71%	0.708	56%	0.561	S	S	*	*			trans	-76.1	-10.9	-173.6	-12.5	30.2	0	0	0	113.8	K622	K622-P624 WeakPolarHBondContact O-CD 3.23Å
625	H	23.6	Very low	24.1	Very low	149 Å²	149	117.6 Å²	117.6	69%	0.69	56%	0.559	S	S	*	*	S	Bend	trans	-131.3	116.8	-167.4	-63.3	-53.3	0	0	0	112.6	M623 Q627	M623-H625 VanDerWaalsContact C-N 3.26Å; M623-H625 PolarHBondContact O-N 3.05Å; H625-Q627 PolarHBondContact O-N 3.48Å
626	R	23	Very low	23.9	Very low	179 Å²	179	117.4 Å²	117.4	68%	0.675	56%	0.564	S	S	*	*			trans	-64.3	53.2	-176.6	-64	175.5	171.7	169.6	-3.7	115	Y487	Y487-R626 PolarHBondContact OH-NH1 3.2Å
627	Q	23.7	Very low	23.7	Very low	143 Å²	143	123.9 Å²	123.9	67%	0.668	60%	0.596	S	S	*	*			trans	-111.5	105.5	173.3	-68.7	-173.6	-4.3	0	0	109.8	H625 Y629	H625-Q627 PolarHBondContact O-N 3.48Å; Q627-Y629 PolarHBondContact O-N 3.32Å
628	F	23.3	Very low	23.6	Very low	161 Å²	161	128 Å²	128	71%	0.706	62%	0.617	S	S	*	*			trans	-57.6	102.9	175.2	-65.4	-93.1	0	0	0	110.3	M630	F628-M630 PolarHBondContact O-N 3.32Å
629	Y	21.9	Very low	23.6	Very low	193 Å²	193	127.1 Å²	127.1	76%	0.757	62%	0.621	S	S	*	*			trans	-80.3	98.7	169.3	-91.4	-92.3	0	0	0	109.2	Q627	Q627-Y629 PolarHBondContact O-N 3.32Å
630	M	21.5	Very low	23.5	Very low	158 Å²	158	129.3 Å²	129.3	78%	0.778	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-78.3	129.8	172.1	-151.2	161.9	103.7	0	0	109.1	F628	F628-M630 PolarHBondContact O-N 3.32Å
631	P	23.3	Very low	23.4	Very low	52 Å²	52	131 Å²	131	34%	0.338	65%	0.648	S	S	.	*	P	Polyproline II helix	trans	-59.5	136.6	-174.6	-24	32.6	0	0	0	113.3	I579 V594 L633	I579-P631 HydrophobicContact CD1-CB 3.88Å; I579-P631 HydrophobicContact CD1-CG 4.08Å; V594-P631 HydrophobicContact CG1-CG 4.39Å; V594-P631 HydrophobicContact CG2-CG 4.12Å; P631-L633 PolarHBondContact O-N 3.26Å
632	Q	22.6	Very low	23.3	Very low	103 Å²	103	133.2 Å²	133.2	48%	0.481	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-68	117.9	179.2	-72	171.8	13	0	0	110.4	V634 R655	Q632-V634 PolarHBondContact O-N 3Å; Q632-R655 VanDerWaalsContact NE2-CZ 3.27Å; Q632-R655 VanDerWaalsContact NE2-NE 3.19Å; Q632-R655 VanDerWaalsContact NE2-NH2 3.12Å
633	L	22.9	Very low	23.5	Very low	101 Å²	101	131.2 Å²	131.2	53%	0.529	65%	0.653	S	S	.	*			trans	-61.3	97.3	165	-96.1	147.8	0	0	0	109	S575 E596 P631 D635	S575-L633 VanDerWaalsContact OG-CD2 3.3Å; S575-L633 WeakPolarHBondContact OG-CD2 3.13Å; E596-L633 WeakPolarHBondContact OE2-CD2 3.12Å; P631-L633 PolarHBondContact O-N 3.26Å; L633-D635 PolarHBondContact O-N 3.31Å
634	V	21.7	Very low	23.7	Very low	78 Å²	78	135.4 Å²	135.4	47%	0.473	67%	0.669	S	S	.	*			trans	-79.4	108.1	171.5	-175.6	0	0	0	0	107.8	T577 Q632 Q636	T577-V634 HydrophobicContact CG2-CB 4.42Å; T577-V634 HydrophobicContact CG2-CG2 3.87Å; Q632-V634 PolarHBondContact O-N 3Å; V634-Q636 PolarHBondContact O-N 3.15Å
635	D	23.4	Very low	23.7	Very low	128 Å²	128	139.4 Å²	139.4	68%	0.684	68%	0.675	S	S	*	*			trans	-63.5	99.3	174.6	-165.5	-3.3	0	0	0	109.7	L633 L637	L633-D635 PolarHBondContact O-N 3.31Å; D635-L637 PolarHBondContact O-N 3.32Å
636	Q	22.3	Very low	23.6	Very low	128 Å²	128	137.2 Å²	137.2	60%	0.598	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-69.2	-5	-175.5	-82.7	-171.7	-17.9	0	0	114.1	V634 N638	V634-Q636 PolarHBondContact O-N 3.15Å; Q636-N638 PolarHBondContact O-N 2.99Å; Q636-N638 VanDerWaalsContact O-N 3.12Å
637	L	23.8	Very low	23.6	Very low	150 Å²	150	137.6 Å²	137.6	79%	0.785	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-75.6	1.2	-170.8	-82.2	164.3	0	0	0	115.8	D635	D635-L637 PolarHBondContact O-N 3.32Å
638	N	23	Very low	23.5	Very low	136 Å²	136	137.4 Å²	137.4	73%	0.727	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-130.7	16.2	179	-87.2	-39.6	0	0	0	116.1	Q636 N640	Q636-N638 PolarHBondContact O-N 2.99Å; Q636-N638 VanDerWaalsContact O-N 3.12Å; N638-N640 PolarHBondContact O-N 3.18Å
639	C	23.6	Very low	23.3	Very low	89 Å²	89	137.4 Å²	137.4	60%	0.601	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-17.4	-178.6	-87.8	0	0	0	0	115.5
640	N	24.7	Very low	23.3	Very low	162 Å²	162	135.1 Å²	135.1	87%	0.866	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	0.4	-173.2	-75.1	-4	0	0	0	115.4	N638	N638-N640 PolarHBondContact O-N 3.18Å
641	Q	25.5	Very low	23.3	Very low	159 Å²	159	132.5 Å²	132.5	74%	0.743	66%	0.663	S	S	*	*	S	Bend	trans	-144.9	90.5	175.4	-66.6	-175	-1.9	0	0	109.6
642	K	24.1	Very low	23.2	Very low	166 Å²	166	135.7 Å²	135.7	72%	0.722	68%	0.681	S	S	*	*			trans	179.1	136.8	143.9	-93.6	147.2	-171.2	-175.9	0	112.2
643	T	27.4	Very low	23.3	Very low	114 Å²	114	133.8 Å²	133.8	70%	0.699	69%	0.689	S	S	*	*			trans	-69.1	153.1	-170.2	46.9	0	0	0	0	113.1	K645 Q646	T643-K645 PolarHBondContact O-N 3.05Å; T643-Q646 PolarHBondContact O-N 3.01Å
644	K	27.7	Very low	23.3	Very low	186 Å²	186	137 Å²	137	81%	0.809	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-43.3	-31.3	-171.3	-88.3	-179	173.1	179.5	0	116	Q646 R647	K644-Q646 VanDerWaalsContact C-N 3.28Å; K644-Q646 PolarHBondContact O-N 2.98Å; K644-R647 PolarHBondContact O-N 2.8Å
645	K	24	Very low	23.4	Very low	193 Å²	193	138.4 Å²	138.4	84%	0.839	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-67.5	-21.9	-180	-83.5	-172.8	174.7	-178.9	0	114.3	T643	T643-K645 PolarHBondContact O-N 3.05Å
646	Q	22.4	Very low	23.5	Very low	102 Å²	102	139.1 Å²	139.1	48%	0.477	69%	0.694	S	S	.	*	G	3₁₀ helix	trans	-87.9	-9.6	177.6	-73.5	-173.1	-14.2	0	0	114.2	T643 K644 N648	T643-Q646 PolarHBondContact O-N 3.01Å; K644-Q646 VanDerWaalsContact C-N 3.28Å; K644-Q646 PolarHBondContact O-N 2.98Å; Q646-N648 VanDerWaalsContact C-N 3.32Å; Q646-N648 PolarHBondContact O-N 3.36Å
647	R	22.2	Very low	23.5	Very low	187 Å²	187	136.3 Å²	136.3	71%	0.706	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-32.1	175.2	-79.9	-172.6	174.9	-177.7	-2.3	112.8	K644	K644-R647 PolarHBondContact O-N 2.8Å
648	N	21.6	Very low	23.5	Very low	140 Å²	140	135.8 Å²	135.8	75%	0.749	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-10.4	-176.8	-68.1	-0.5	0	0	0	114	Q646	Q646-N648 VanDerWaalsContact C-N 3.32Å; Q646-N648 PolarHBondContact O-N 3.36Å
649	M	20.1	Very low	23.7	Very low	161 Å²	161	133.8 Å²	133.8	79%	0.793	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-6.9	-177.8	-137.4	176.4	-86.3	0	0	113.7
650	L	20.7	Very low	23.8	Very low	144 Å²	144	132.3 Å²	132.3	75%	0.754	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	1	-179.8	-96.1	157.4	0	0	0	115
651	L	22	Very low	23.8	Very low	104 Å²	104	129.7 Å²	129.7	55%	0.545	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.4	-11.1	175.9	-81.7	167.9	0	0	0	115	R655	L651-R655 VanDerWaalsContact CD2-NH2 3.34Å; L651-R655 PolarHBondContact O-NH1 2.89Å
652	V	21.5	Very low	23.9	Very low	119 Å²	119	127.1 Å²	127.1	72%	0.721	64%	0.641	S	S	*	*	S	Bend	trans	-125.1	-7.1	-166.8	-168.3	0	0	0	0	114.8
653	G	23.7	Very low	24	Very low	62 Å²	62	123.6 Å²	123.6	64%	0.639	63%	0.629	S	S	*	*	S	Bend	trans	-105.3	-25.7	-158.7	0	0	0	0	0	121.1
654	K	22.8	Very low	23.9	Very low	169 Å²	169	121 Å²	121	74%	0.735	62%	0.62	S	S	*	*	S	Bend	trans	-136.2	14	-166.9	-75.4	-170.4	174.8	-176.7	0	116.7	H656	K654-H656 PolarHBondContact O-N 2.91Å
655	R	24.7	Very low	23.8	Very low	107 Å²	107	118 Å²	118	40%	0.404	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.5	-5.8	-165.5	-78.6	179.2	169.9	171.5	-6.7	118.1	Q632 L651 I659	Q632-R655 VanDerWaalsContact NE2-CZ 3.27Å; Q632-R655 VanDerWaalsContact NE2-NE 3.19Å; Q632-R655 VanDerWaalsContact NE2-NH2 3.12Å; L651-R655 VanDerWaalsContact CD2-NH2 3.34Å; L651-R655 PolarHBondContact O-NH1 2.89Å; R655-I659 WeakPolarHBondContact O-CD1 3.29Å
656	H	24.9	Very low	23.9	Very low	144 Å²	144	113.3 Å²	113.3	67%	0.667	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.3	-24.7	-173.3	-66.2	-11.6	0	0	0	115.5	K654 E658 I659 A660	K654-H656 PolarHBondContact O-N 2.91Å; H656-E658 VanDerWaalsContact C-N 3.25Å; H656-E658 PolarHBondContact O-N 2.99Å; H656-I659 PolarHBondContact O-N 3.27Å; H656-A660 PolarHBondContact O-N 3.25Å
657	A	22.6	Very low	24.1	Very low	68 Å²	68	116 Å²	116	56%	0.562	60%	0.602	S	S	*	*	H	α-helix	trans	-64.3	-33.4	174.2	0	0	0	0	0	111.8	N661	A657-N661 WeakPolarHBondContact O-CB 3.37Å; A657-N661 PolarHBondContact O-N 3.26Å; A657-N661 PolarHBondContact O-ND2 3.25Å
658	E	25	Very low	24.2	Very low	139 Å²	139	108.2 Å²	108.2	65%	0.65	58%	0.58	S	S	*	*	H	α-helix	trans	-73.7	-33.8	177.6	-71	176.5	176.9	0	0	112.5	H656 N661 F662	H656-E658 VanDerWaalsContact C-N 3.25Å; H656-E658 PolarHBondContact O-N 2.99Å; E658-N661 PolarHBondContact O-N 2.89Å; E658-F662 WeakPolarHBondContact O-CB 3.24Å; E658-F662 PolarHBondContact O-N 3.47Å
659	I	26.4	Very low	24.3	Very low	94 Å²	94	102.9 Å²	102.9	48%	0.482	56%	0.559	S	S	.	*	H	α-helix	trans	-69	-43.8	174.9	-60.4	176.4	0	0	0	110.4	R655 H656 F662 I663	R655-I659 WeakPolarHBondContact O-CD1 3.29Å; H656-I659 PolarHBondContact O-N 3.27Å; I659-F662 PolarHBondContact O-N 2.86Å; I659-I663 HydrophobicContact CG2-CD1 3.86Å; I659-I663 HydrophobicContact CG2-CG1 4.41Å; I659-I663 WeakPolarHBondContact O-CG1 3.34Å; I659-I663 PolarHBondContact O-N 2.82Å
660	A	24.8	Very low	24.6	Very low	59 Å²	59	101.8 Å²	101.8	49%	0.488	55%	0.551	S	S	.	*	H	α-helix	trans	-63.1	-42.5	175.4	0	0	0	0	0	111.5	H656 F662 A664	H656-A660 PolarHBondContact O-N 3.25Å; A660-F662 VanDerWaalsContact C-N 3.34Å; A660-F662 PolarHBondContact O-N 2.76Å; A660-A664 WeakPolarHBondContact O-CB 3.23Å; A660-A664 PolarHBondContact O-N 3.44Å
661	N	25.7	Very low	24.7	Very low	106 Å²	106	102.2 Å²	102.2	57%	0.567	55%	0.551	S	S	*	*	H	α-helix	trans	-64.7	-36.3	173.8	-80.7	-23	0	0	0	112.3	A657 E658 L665	A657-N661 WeakPolarHBondContact O-CB 3.37Å; A657-N661 PolarHBondContact O-N 3.26Å; A657-N661 PolarHBondContact O-ND2 3.25Å; E658-N661 PolarHBondContact O-N 2.89Å; N661-L665 WeakPolarHBondContact O-CB 3.42Å; N661-L665 WeakPolarHBondContact O-CD1 3.46Å; N661-L665 WeakPolarHBondContact O-CG 3.48Å; N661-L665 PolarHBondContact O-N 2.86Å
662	F	28.2	Very low	24.7	Very low	106 Å²	106	98.9 Å²	98.9	47%	0.465	54%	0.536	S	S	.	.	H	α-helix	trans	-71.4	-41.2	178.7	-171.3	-104.8	0	0	0	112.4	E658 I659 A660 L665 L666	E658-F662 WeakPolarHBondContact O-CB 3.24Å; E658-F662 PolarHBondContact O-N 3.47Å; I659-F662 PolarHBondContact O-N 2.86Å; A660-F662 VanDerWaalsContact C-N 3.34Å; A660-F662 PolarHBondContact O-N 2.76Å; F662-L665 WeakPolarHBondContact O-CB 3.03Å; F662-L665 PolarHBondContact O-N 2.63Å; F662-L666 HydrophobicContact CD1-CD1 3.7Å; F662-L666 HydrophobicContact CE1-CD1 3.45Å; F662-L666 VanDerWaalsContact CE1-CD1 3.45Å; F662-L666 HydrophobicContact CE1-CG 4.27Å; F662-L666 HydrophobicContact CZ-CD1 4.17Å; F662-L666 WeakPolarHBondContact O-CB 3.26Å; F662-L666 PolarHBondContact O-N 3.02Å
663	I	26.4	Very low	24.8	Very low	91 Å²	91	99.2 Å²	99.2	47%	0.467	53%	0.532	S	S	.	.	H	α-helix	trans	-69.3	-39.5	174.5	-64.2	172.6	0	0	0	110.6	I659 L665 L666 Y667	I659-I663 HydrophobicContact CG2-CD1 3.86Å; I659-I663 HydrophobicContact CG2-CG1 4.41Å; I659-I663 WeakPolarHBondContact O-CG1 3.34Å; I659-I663 PolarHBondContact O-N 2.82Å; I663-L665 VanDerWaalsContact C-N 3.3Å; I663-L665 PolarHBondContact O-N 2.94Å; I663-L666 PolarHBondContact O-N 3.13Å; I663-Y667 HydrophobicContact CG2-CD2 4.24Å; I663-Y667 PolarHBondContact O-N 3.21Å
664	A	24.6	Very low	25	Very low	60 Å²	60	102.2 Å²	102.2	50%	0.496	54%	0.537	S	S	.	.	H	α-helix	trans	-65.2	-32.6	172.3	0	0	0	0	0	112.2	A660 G668	A660-A664 WeakPolarHBondContact O-CB 3.23Å; A660-A664 PolarHBondContact O-N 3.44Å; A664-G668 WeakPolarHBondContact O-CA 3.41Å; A664-G668 PolarHBondContact O-N 3.5Å
665	L	24.9	Very low	25.1	Very low	123 Å²	123	97.1 Å²	97.1	64%	0.644	52%	0.523	S	S	*	.	H	α-helix	trans	-70.9	-38.1	171.5	-95.6	152.1	0	0	0	112.3	N661 F662 I663 G669	N661-L665 WeakPolarHBondContact O-CB 3.42Å; N661-L665 WeakPolarHBondContact O-CD1 3.46Å; N661-L665 WeakPolarHBondContact O-CG 3.48Å; N661-L665 PolarHBondContact O-N 2.86Å; F662-L665 WeakPolarHBondContact O-CB 3.03Å; F662-L665 PolarHBondContact O-N 2.63Å; I663-L665 VanDerWaalsContact C-N 3.3Å; I663-L665 PolarHBondContact O-N 2.94Å; L665-G669 VanDerWaalsContact O-CA 3.28Å; L665-G669 WeakPolarHBondContact O-CA 3.27Å; L665-G669 PolarHBondContact O-N 3.18Å
666	L	25.7	Very low	25.1	Very low	95 Å²	95	95.4 Å²	95.4	50%	0.497	54%	0.539	S	S	.	.	H	α-helix	trans	-64.3	-47.9	176.7	-87.7	161.5	0	0	0	111.6	F662 I663	F662-L666 HydrophobicContact CD1-CD1 3.7Å; F662-L666 HydrophobicContact CE1-CD1 3.45Å; F662-L666 VanDerWaalsContact CE1-CD1 3.45Å; F662-L666 HydrophobicContact CE1-CG 4.27Å; F662-L666 HydrophobicContact CZ-CD1 4.17Å; F662-L666 WeakPolarHBondContact O-CB 3.26Å; F662-L666 PolarHBondContact O-N 3.02Å; I663-L666 PolarHBondContact O-N 3.13Å
667	Y	28.3	Very low	25.2	Very low	158 Å²	158	96.9 Å²	96.9	62%	0.62	55%	0.546	S	S	*	.	H	α-helix	trans	-85.9	-40.3	-178.6	-84.1	-84.2	0	0	0	113.5	I663 G669 Q670 M671	I663-Y667 HydrophobicContact CG2-CD2 4.24Å; I663-Y667 PolarHBondContact O-N 3.21Å; Y667-G669 VanDerWaalsContact C-N 3.29Å; Y667-G669 PolarHBondContact O-N 3.05Å; Y667-Q670 PolarHBondContact O-N 2.91Å; Y667-M671 PolarHBondContact O-N 3.14Å
668	G	24.3	Very low	25.3	Very low	24 Å²	24	96.6 Å²	96.6	25%	0.247	53%	0.534	C	S	.	.	H	α-helix	trans	-65.2	-34.7	174.3	0	0	0	0	0	111.9	A664 M671 C672	A664-G668 WeakPolarHBondContact O-CA 3.41Å; A664-G668 PolarHBondContact O-N 3.5Å; G668-M671 PolarHBondContact O-N 2.89Å; G668-C672 VanDerWaalsContact O-CB 3.24Å; G668-C672 WeakPolarHBondContact O-CB 3.03Å; G668-C672 PolarHBondContact O-N 2.79Å
669	G	23.6	Very low	25.7	Very low	28 Å²	28	94.8 Å²	94.8	29%	0.289	53%	0.529	S	S	.	.	H	α-helix	trans	-63.8	-39.8	177.1	0	0	0	0	0	113.4	L665 Y667 M673	L665-G669 VanDerWaalsContact O-CA 3.28Å; L665-G669 WeakPolarHBondContact O-CA 3.27Å; L665-G669 PolarHBondContact O-N 3.18Å; Y667-G669 VanDerWaalsContact C-N 3.29Å; Y667-G669 PolarHBondContact O-N 3.05Å; G669-M673 WeakPolarHBondContact O-CB 3.2Å; G669-M673 VanDerWaalsContact O-CG 3.25Å; G669-M673 WeakPolarHBondContact O-CG 3.34Å; G669-M673 PolarHBondContact O-N 3.27Å
670	Q	25.4	Very low	25.8	Very low	138 Å²	138	94.3 Å²	94.3	65%	0.645	54%	0.539	S	S	*	.	H	α-helix	trans	-69.9	-37.3	179.8	-116.9	179	-9.2	0	0	112.4	Y667	Y667-Q670 PolarHBondContact O-N 2.91Å
671	M	23.2	Very low	26.1	Very low	153 Å²	153	99.7 Å²	99.7	75%	0.754	55%	0.548	S	S	*	.	H	α-helix	trans	-81.6	-32.8	176.3	-65.2	-158.6	95.8	0	0	113.7	Y667 G668 M673 T674	Y667-M671 PolarHBondContact O-N 3.14Å; G668-M671 PolarHBondContact O-N 2.89Å; M671-M673 VanDerWaalsContact C-N 3.25Å; M671-M673 PolarHBondContact O-N 2.83Å; M671-T674 PolarHBondContact O-N 3.13Å; M671-T674 PolarHBondContact O-OG1 2.77Å
672	C	22.5	Very low	26.2	Very low	34 Å²	34	100 Å²	100	23%	0.23	54%	0.544	C	S	.	.	H	α-helix	trans	-70.7	-20.5	173.6	-93.7	0	0	0	0	111.6	G668 C683	G668-C672 VanDerWaalsContact O-CB 3.24Å; G668-C672 WeakPolarHBondContact O-CB 3.03Å; G668-C672 PolarHBondContact O-N 2.79Å; C672-C683 WeakPolarHBondContact CB-SG 3.47Å; C672-C683 WeakPolarHBondContact SG-CB 3.12Å; C672-C683 CovalentContact SG-SG 2.1Å; C672-C683 PolarHBondContact SG-SG 3.44Å
673	M	23.8	Very low	26.4	Very low	126 Å²	126	96.7 Å²	96.7	62%	0.621	53%	0.533	S	S	*	.	H	α-helix	trans	-74.5	-27.5	174.3	-82.5	-155.9	-57.5	0	0	114.6	G669 M671	G669-M673 WeakPolarHBondContact O-CB 3.2Å; G669-M673 VanDerWaalsContact O-CG 3.25Å; G669-M673 WeakPolarHBondContact O-CG 3.34Å; G669-M673 PolarHBondContact O-N 3.27Å; M671-M673 VanDerWaalsContact C-N 3.25Å; M671-M673 PolarHBondContact O-N 2.83Å
674	T	27	Very low	26.5	Very low	124 Å²	124	95 Å²	95	76%	0.761	53%	0.534	S	S	*	.	H	α-helix	trans	-82.1	-19.6	-176.5	37.1	0	0	0	0	115	M671	M671-T674 PolarHBondContact O-N 3.13Å; M671-T674 PolarHBondContact O-OG1 2.77Å
675	S	24.2	Very low	26.8	Very low	62 Å²	62	96.2 Å²	96.2	43%	0.434	53%	0.531	S	S	.	.	H	α-helix	trans	-107.3	-5.4	-176.8	70.6	0	0	0	0	115.8	Q677	S675-Q677 PolarHBondContact O-N 3.11Å
676	G	26.2	Very low	27.1	Very low	71 Å²	71	97.8 Å²	97.8	73%	0.732	53%	0.529	S	S	*	.	S	Bend	trans	57.8	-4.2	169	0	0	0	0	0	117.8
677	Q	27.1	Very low	27.4	Very low	175 Å²	175	96.3 Å²	96.3	82%	0.818	53%	0.527	S	S	*	.			trans	-136.4	26.6	-170.7	-66	-162.7	-7.9	0	0	113.9	S675	S675-Q677 PolarHBondContact O-N 3.11Å
678	M	24.9	Very low	27.4	Very low	62 Å²	62	95.6 Å²	95.6	31%	0.305	53%	0.527	S	S	.	.			trans	-124.8	128.1	176.6	-75.2	177.9	70.1	0	0	112.8	K682 Y686	M678-K682 HydrophobicContact CE-CB 3.71Å; M678-K682 HydrophobicContact CE-CD 4.11Å; M678-K682 HydrophobicContact CE-CG 4.47Å; M678-K682 HydrophobicContact CG-CD 4.08Å; M678-Y686 HydrophobicContact CE-CD2 3.42Å; M678-Y686 VanDerWaalsContact CE-CD2 3.42Å; M678-Y686 HydrophobicContact CE-CE2 3.33Å
679	N	31.7	Very low	27.6	Very low	101 Å²	101	97.4 Å²	97.4	54%	0.54	53%	0.534	S	S	.	.			trans	-85.8	162.3	178.1	68.2	9.2	0	0	0	111.8	Y681 K682 C683	N679-Y681 PolarHBondContact O-N 3.19Å; N679-Y681 VanDerWaalsContact O-N 3.12Å; N679-K682 PolarHBondContact O-N 3.22Å; N679-K682 PolarHBondContact OD1-N 2.97Å; N679-C683 PolarHBondContact O-N 3.49Å; N679-C683 VanDerWaalsContact O-N 3.12Å
680	A	29.2	Very low	28.1	Very low	84 Å²	84	103 Å²	103	69%	0.694	55%	0.55	S	S	*	*	H	α-helix	trans	-53.9	-35	-174.8	0	0	0	0	0	114	C683 A684	A680-C683 WeakPolarHBondContact O-CB 3.09Å; A680-C683 PolarHBondContact O-N 2.83Å; A680-A684 PolarHBondContact O-N 2.83Å
681	Y	30.4	Very low	28.3	Very low	173 Å²	173	101 Å²	101	68%	0.678	54%	0.543	S	S	*	.	H	α-helix	trans	-63.4	-42.3	176.4	-176.6	-100.3	0	0	0	112.5	N679 A684 L685	N679-Y681 PolarHBondContact O-N 3.19Å; N679-Y681 VanDerWaalsContact O-N 3.12Å; Y681-A684 PolarHBondContact O-N 3.31Å; Y681-L685 HydrophobicContact CD1-CD1 4.26Å; Y681-L685 HydrophobicContact CE1-CD1 3.58Å; Y681-L685 HydrophobicContact CE2-CD1 4.44Å; Y681-L685 PolarHBondContact O-N 3.46Å
682	K	29.5	Very low	28.5	Very low	112 Å²	112	97 Å²	97	49%	0.487	53%	0.528	S	S	.	.	H	α-helix	trans	-66.5	-37.6	172.2	-79.8	-174.7	176.3	179.9	0	112.1	M678 N679 A684 L685 Y686	M678-K682 HydrophobicContact CE-CB 3.71Å; M678-K682 HydrophobicContact CE-CD 4.11Å; M678-K682 HydrophobicContact CE-CG 4.47Å; M678-K682 HydrophobicContact CG-CD 4.08Å; N679-K682 PolarHBondContact O-N 3.22Å; N679-K682 PolarHBondContact OD1-N 2.97Å; K682-A684 VanDerWaalsContact C-N 3.3Å; K682-A684 PolarHBondContact O-N 2.82Å; K682-L685 PolarHBondContact O-N 2.87Å; K682-Y686 PolarHBondContact O-N 3.44Å
683	C	32.1	Very low	28.9	Very low	36 Å²	36	100 Å²	100	24%	0.243	54%	0.541	C	S	.	.	H	α-helix	trans	-60.6	-41.9	177	-129.2	0	0	0	0	109.5	C672 N679 A680 Y686 S687	C672-C683 WeakPolarHBondContact CB-SG 3.47Å; C672-C683 WeakPolarHBondContact SG-CB 3.12Å; C672-C683 CovalentContact SG-SG 2.1Å; C672-C683 PolarHBondContact SG-SG 3.44Å; N679-C683 PolarHBondContact O-N 3.49Å; N679-C683 VanDerWaalsContact O-N 3.12Å; A680-C683 WeakPolarHBondContact O-CB 3.09Å; A680-C683 PolarHBondContact O-N 2.83Å; C683-Y686 PolarHBondContact O-N 2.87Å; C683-S687 PolarHBondContact O-N 3.31Å; C683-S687 PolarHBondContact O-OG 2.98Å
684	A	29.1	Very low	29.3	Very low	57 Å²	57	94.9 Å²	94.9	47%	0.471	52%	0.519	S	S	.	.	H	α-helix	trans	-66.6	-40.4	174.6	0	0	0	0	0	114	A680 Y681 K682 Y686 S687 K688	A680-A684 PolarHBondContact O-N 2.83Å; Y681-A684 PolarHBondContact O-N 3.31Å; K682-A684 VanDerWaalsContact C-N 3.3Å; K682-A684 PolarHBondContact O-N 2.82Å; A684-Y686 VanDerWaalsContact C-N 3.31Å; A684-Y686 PolarHBondContact O-N 2.96Å; A684-S687 VanDerWaalsContact C-OG 3.29Å; A684-S687 VanDerWaalsContact CA-OG 3.3Å; A684-S687 WeakPolarHBondContact CA-OG 3.37Å; A684-S687 PolarHBondContact O-N 2.88Å; A684-S687 PolarHBondContact O-OG 3.19Å; A684-K688 PolarHBondContact O-N 3.12Å; A684-K688 VanDerWaalsContact O-N 3.09Å
685	L	29.7	Very low	29.3	Very low	84 Å²	84	95.9 Å²	95.9	44%	0.44	51%	0.513	S	S	.	.	H	α-helix	trans	-64.5	-35.9	175.9	-125.7	112	0	0	0	111.8	Y681 K682 K688 T689	Y681-L685 HydrophobicContact CD1-CD1 4.26Å; Y681-L685 HydrophobicContact CE1-CD1 3.58Å; Y681-L685 HydrophobicContact CE2-CD1 4.44Å; Y681-L685 PolarHBondContact O-N 3.46Å; K682-L685 PolarHBondContact O-N 2.87Å; L685-K688 WeakPolarHBondContact O-CB 3.17Å; L685-K688 PolarHBondContact O-N 2.8Å; L685-T689 PolarHBondContact O-N 3.09Å; L685-T689 PolarHBondContact O-OG1 3.41Å
686	Y	30.6	Very low	29.6	Very low	156 Å²	156	97.8 Å²	97.8	61%	0.612	52%	0.522	S	S	*	.	H	α-helix	trans	-65.7	-42.3	175.4	-103.2	-86.9	0	0	0	112.3	M678 K682 C683 A684 K688 T689 F690	M678-Y686 HydrophobicContact CE-CD2 3.42Å; M678-Y686 VanDerWaalsContact CE-CD2 3.42Å; M678-Y686 HydrophobicContact CE-CE2 3.33Å; K682-Y686 PolarHBondContact O-N 3.44Å; C683-Y686 PolarHBondContact O-N 2.87Å; A684-Y686 VanDerWaalsContact C-N 3.31Å; A684-Y686 PolarHBondContact O-N 2.96Å; Y686-K688 VanDerWaalsContact C-N 3.28Å; Y686-K688 PolarHBondContact O-N 2.89Å; Y686-T689 PolarHBondContact O-N 2.82Å; Y686-T689 VanDerWaalsContact O-N 3.16Å; Y686-F690 WeakPolarHBondContact O-CB 3.48Å; Y686-F690 PolarHBondContact O-N 3.29Å
687	S	32.2	Very low	29.8	Very low	65 Å²	65	94.8 Å²	94.8	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-60.5	-37.7	171.7	32.6	0	0	0	0	112.4	C683 A684 I691	C683-S687 PolarHBondContact O-N 3.31Å; C683-S687 PolarHBondContact O-OG 2.98Å; A684-S687 VanDerWaalsContact C-OG 3.29Å; A684-S687 VanDerWaalsContact CA-OG 3.3Å; A684-S687 WeakPolarHBondContact CA-OG 3.37Å; A684-S687 PolarHBondContact O-N 2.88Å; A684-S687 PolarHBondContact O-OG 3.19Å; S687-I691 WeakPolarHBondContact O-CG1 3.45Å; S687-I691 PolarHBondContact O-N 2.84Å; S687-I691 VanDerWaalsContact O-N 3.14Å
688	K	28.7	Very low	29.9	Very low	143 Å²	143	92.8 Å²	92.8	62%	0.622	49%	0.493	S	S	*	.	H	α-helix	trans	-62.2	-45.3	173	-173.8	177.2	-179	172.1	0	111.3	A684 L685 Y686 I691 T692	A684-K688 PolarHBondContact O-N 3.12Å; A684-K688 VanDerWaalsContact O-N 3.09Å; L685-K688 WeakPolarHBondContact O-CB 3.17Å; L685-K688 PolarHBondContact O-N 2.8Å; Y686-K688 VanDerWaalsContact C-N 3.28Å; Y686-K688 PolarHBondContact O-N 2.89Å; K688-I691 PolarHBondContact O-N 2.83Å; K688-T692 PolarHBondContact O-N 2.72Å; K688-T692 PolarHBondContact O-OG1 2.89Å
689	T	29	Very low	30.3	Very low	62 Å²	62	92.9 Å²	92.9	38%	0.38	50%	0.497	S	S	.	.	H	α-helix	trans	-68	-38.9	-178.9	-36.4	0	0	0	0	111.6	L685 Y686 I691 T692 D693	L685-T689 PolarHBondContact O-N 3.09Å; L685-T689 PolarHBondContact O-OG1 3.41Å; Y686-T689 PolarHBondContact O-N 2.82Å; Y686-T689 VanDerWaalsContact O-N 3.16Å; T689-I691 VanDerWaalsContact C-N 3.34Å; T689-I691 PolarHBondContact O-N 3.2Å; T689-T692 PolarHBondContact O-N 3.29Å; T689-D693 WeakPolarHBondContact O-CB 3.41Å; T689-D693 PolarHBondContact O-N 3.42Å
690	F	32.8	Very low	30.2	Very low	144 Å²	144	92.4 Å²	92.4	63%	0.632	50%	0.502	S	S	*	.	H	α-helix	trans	-60.9	-41.1	175.2	-176.9	-95.1	0	0	0	112	Y686 A694	Y686-F690 WeakPolarHBondContact O-CB 3.48Å; Y686-F690 PolarHBondContact O-N 3.29Å; F690-A694 WeakPolarHBondContact O-CB 3.33Å; F690-A694 PolarHBondContact O-N 2.89Å
691	I	30.8	Very low	30.3	Very low	96 Å²	96	95.7 Å²	95.7	49%	0.492	50%	0.503	S	S	.	.	H	α-helix	trans	-68.1	-42	175.2	-65.7	169	0	0	0	110.6	S687 K688 T689 A694 F695	S687-I691 WeakPolarHBondContact O-CG1 3.45Å; S687-I691 PolarHBondContact O-N 2.84Å; S687-I691 VanDerWaalsContact O-N 3.14Å; K688-I691 PolarHBondContact O-N 2.83Å; T689-I691 VanDerWaalsContact C-N 3.34Å; T689-I691 PolarHBondContact O-N 3.2Å; I691-A694 WeakPolarHBondContact O-CB 3.49Å; I691-A694 PolarHBondContact O-N 2.94Å; I691-F695 HydrophobicContact CG2-CD2 3.92Å; I691-F695 HydrophobicContact CG2-CE2 3.82Å; I691-F695 WeakPolarHBondContact O-CD2 3.29Å; I691-F695 PolarHBondContact O-N 2.88Å
692	T	27.9	Very low	30.1	Very low	71 Å²	71	90.6 Å²	90.6	44%	0.436	49%	0.492	S	S	.	.	H	α-helix	trans	-64.8	-46.6	177.7	-44.1	0	0	0	0	111.6	K688 T689 A694 F695 T696	K688-T692 PolarHBondContact O-N 2.72Å; K688-T692 PolarHBondContact O-OG1 2.89Å; T689-T692 PolarHBondContact O-N 3.29Å; T692-A694 VanDerWaalsContact C-N 3.28Å; T692-A694 PolarHBondContact O-N 3.3Å; T692-F695 CarbonylContact O-C 3.48Å; T692-F695 PolarHBondContact O-N 3.39Å; T692-T696 PolarHBondContact O-N 2.57Å; T692-T696 PolarHBondContact O-OG1 3Å
693	D	29.9	Very low	30	Very low	96 Å²	96	89.7 Å²	89.7	51%	0.513	49%	0.489	S	S	.	.	H	α-helix	trans	-66.6	-30.4	177.4	-74.8	-17.9	0	0	0	112.1	T689 F695 G697	T689-D693 WeakPolarHBondContact O-CB 3.41Å; T689-D693 PolarHBondContact O-N 3.42Å; D693-F695 VanDerWaalsContact C-N 3.27Å; D693-F695 PolarHBondContact O-N 3.47Å; D693-G697 WeakPolarHBondContact O-CA 2.96Å; D693-G697 PolarHBondContact O-N 2.78Å
694	A	31.5	Very low	29.8	Very low	18 Å²	18	90.5 Å²	90.5	15%	0.149	50%	0.499	C	S	.	.	H	α-helix	trans	-63.7	-30.7	170.8	0	0	0	0	0	112.7	F690 I691 T692 A706	F690-A694 WeakPolarHBondContact O-CB 3.33Å; F690-A694 PolarHBondContact O-N 2.89Å; I691-A694 WeakPolarHBondContact O-CB 3.49Å; I691-A694 PolarHBondContact O-N 2.94Å; T692-A694 VanDerWaalsContact C-N 3.28Å; T692-A694 PolarHBondContact O-N 3.3Å; A694-A706 HydrophobicContact CB-CB 3.6Å
695	F	28.4	Very low	29.8	Very low	145 Å²	145	93 Å²	93	64%	0.636	50%	0.503	S	S	*	.	H	α-helix	trans	-96.4	-26.2	178.4	-74.7	-65.9	0	0	0	114.6	I691 T692 D693	I691-F695 HydrophobicContact CG2-CD2 3.92Å; I691-F695 HydrophobicContact CG2-CE2 3.82Å; I691-F695 WeakPolarHBondContact O-CD2 3.29Å; I691-F695 PolarHBondContact O-N 2.88Å; T692-F695 CarbonylContact O-C 3.48Å; T692-F695 PolarHBondContact O-N 3.39Å; D693-F695 VanDerWaalsContact C-N 3.27Å; D693-F695 PolarHBondContact O-N 3.47Å
696	T	29.4	Very low	29.7	Very low	103 Å²	103	90 Å²	90	63%	0.632	49%	0.491	S	S	*	.	H	α-helix	trans	-108.3	1.5	178.5	60.1	0	0	0	0	113.9	T692	T692-T696 PolarHBondContact O-N 2.57Å; T692-T696 PolarHBondContact O-OG1 3Å
697	G	30.3	Very low	29.5	Very low	8 Å²	8	86.5 Å²	86.5	8%	0.082	48%	0.482	C	S	.	.			trans	-59.8	136.1	-177	0	0	0	0	0	112.6	D693 T699 Q703	D693-G697 WeakPolarHBondContact O-CA 2.96Å; D693-G697 PolarHBondContact O-N 2.78Å; G697-T699 PolarHBondContact O-N 2.04Å; G697-Q703 PolarHBondContact O-NE2 3.26Å; G697-Q703 VanDerWaalsContact O-NE2 3.12Å
698	P	29.6	Very low	29.4	Very low	133 Å²	133	89 Å²	89	86%	0.864	49%	0.487	S	S	*	.	S	Bend	trans	-75.7	-3.8	-171	29.5	-35.2	0	0	0	114.4
699	T	34	Very low	29.4	Very low	63 Å²	63	88.8 Å²	88.8	39%	0.387	48%	0.483	S	S	.	.	S	Bend	trans	-119.4	138.7	-175.1	59.1	0	0	0	0	112.1	G697 E701 C702 Q703	G697-T699 PolarHBondContact O-N 2.04Å; T699-E701 PolarHBondContact O-N 3.19Å; T699-C702 PolarHBondContact O-N 3Å; T699-Q703 PolarHBondContact O-N 3.2Å; T699-Q703 VanDerWaalsContact O-N 3.16Å
700	S	29.6	Very low	29.2	Very low	92 Å²	92	87.2 Å²	87.2	64%	0.643	48%	0.479	S	S	*	.	H	α-helix	trans	-57.8	-27.1	176.8	51	0	0	0	0	112.7	Q703 A704	S700-Q703 PolarHBondContact O-N 3.22Å; S700-A704 WeakPolarHBondContact O-CB 3.29Å; S700-A704 PolarHBondContact O-N 3.41Å
701	E	30.3	Very low	28.9	Very low	153 Å²	153	84.4 Å²	84.4	72%	0.715	47%	0.47	S	S	*	.	H	α-helix	trans	-69.4	-42.9	176.5	-70.3	172.7	162.5	0	0	112.6	T699 Q703 A704 L705	T699-E701 PolarHBondContact O-N 3.19Å; E701-Q703 VanDerWaalsContact C-N 3.34Å; E701-A704 PolarHBondContact O-N 3.44Å; E701-L705 PolarHBondContact O-N 3.12Å
702	C	26.4	Very low	28.7	Very low	66 Å²	66	86.1 Å²	86.1	45%	0.446	48%	0.476	S	S	.	.	H	α-helix	trans	-66.7	-39.1	174.1	-73.3	0	0	0	0	110.9	T699 A704 A706	T699-C702 PolarHBondContact O-N 3Å; C702-A704 VanDerWaalsContact C-N 3.34Å; C702-A706 WeakPolarHBondContact O-CB 3.14Å; C702-A706 PolarHBondContact O-N 3.26Å
703	Q	27.8	Very low	28.6	Very low	92 Å²	92	86.9 Å²	86.9	43%	0.43	48%	0.48	S	S	.	.	H	α-helix	trans	-66.4	-34.8	173.6	-66.4	177	-0.2	0	0	112	G697 T699 S700 E701 A706 L707	G697-Q703 PolarHBondContact O-NE2 3.26Å; G697-Q703 VanDerWaalsContact O-NE2 3.12Å; T699-Q703 PolarHBondContact O-N 3.2Å; T699-Q703 VanDerWaalsContact O-N 3.16Å; S700-Q703 PolarHBondContact O-N 3.22Å; E701-Q703 VanDerWaalsContact C-N 3.34Å; Q703-A706 CarbonylContact O-C 3.6Å; Q703-L707 WeakPolarHBondContact O-CB 3.47Å; Q703-L707 PolarHBondContact O-N 3.14Å
704	A	27.5	Very low	28.3	Very low	53 Å²	53	84.3 Å²	84.3	44%	0.438	48%	0.477	S	S	.	.	H	α-helix	trans	-72.9	-41.5	178.2	0	0	0	0	0	112	S700 E701 C702 A706 L707 H708	S700-A704 WeakPolarHBondContact O-CB 3.29Å; S700-A704 PolarHBondContact O-N 3.41Å; E701-A704 PolarHBondContact O-N 3.44Å; C702-A704 VanDerWaalsContact C-N 3.34Å; A704-A706 VanDerWaalsContact C-N 3.34Å; A704-L707 CarbonylContact O-C 3.56Å; A704-L707 WeakPolarHBondContact O-CB 3.01Å; A704-L707 PolarHBondContact O-N 3Å; A704-H708 WeakPolarHBondContact O-CB 3.36Å; A704-H708 PolarHBondContact O-N 3.35Å
705	L	30.4	Very low	28	Very low	109 Å²	109	91.5 Å²	91.5	57%	0.571	51%	0.509	S	S	*	.	H	α-helix	trans	-65.9	-40.9	174.1	-141.5	95.7	0	0	0	110.5	E701 L707 H708 Y709	E701-L705 PolarHBondContact O-N 3.12Å; L705-L707 VanDerWaalsContact C-N 3.35Å; L705-H708 PolarHBondContact O-N 3.09Å; L705-Y709 WeakPolarHBondContact O-CD2 2.93Å; L705-Y709 PolarHBondContact O-N 2.81Å
706	A	27.2	Very low	27.8	Very low	21 Å²	21	87.4 Å²	87.4	17%	0.174	51%	0.508	C	S	.	.	H	α-helix	trans	-65.5	-34.2	171.5	0	0	0	0	0	112.9	A694 C702 Q703 A704 G710	A694-A706 HydrophobicContact CB-CB 3.6Å; C702-A706 WeakPolarHBondContact O-CB 3.14Å; C702-A706 PolarHBondContact O-N 3.26Å; Q703-A706 CarbonylContact O-C 3.6Å; A704-A706 VanDerWaalsContact C-N 3.34Å; A706-G710 VanDerWaalsContact O-CA 3.25Å; A706-G710 WeakPolarHBondContact O-CA 3.41Å; A706-G710 PolarHBondContact O-N 2.94Å
707	L	26.5	Very low	27.5	Very low	83 Å²	83	83.8 Å²	83.8	44%	0.435	49%	0.491	S	S	.	.	H	α-helix	trans	-68.1	-39.1	172.2	-109.5	141	0	0	0	110.7	Q703 A704 L705 G710 L711	Q703-L707 WeakPolarHBondContact O-CB 3.47Å; Q703-L707 PolarHBondContact O-N 3.14Å; A704-L707 CarbonylContact O-C 3.56Å; A704-L707 WeakPolarHBondContact O-CB 3.01Å; A704-L707 PolarHBondContact O-N 3Å; L705-L707 VanDerWaalsContact C-N 3.35Å; L707-G710 CarbonylContact O-C 3.45Å; L707-L711 HydrophobicContact CD2-CD1 4.32Å; L707-L711 WeakPolarHBondContact O-CA 3.45Å; L707-L711 WeakPolarHBondContact O-CB 3.41Å; L707-L711 VanDerWaalsContact O-CD1 3.32Å; L707-L711 WeakPolarHBondContact O-CD1 3.32Å; L707-L711 WeakPolarHBondContact O-CG 3.18Å; L707-L711 PolarHBondContact O-N 3.4Å
708	H	30	Very low	27.3	Very low	118 Å²	118	88.8 Å²	88.8	55%	0.546	52%	0.515	S	S	.	.	H	α-helix	trans	-68	-43.8	178.2	-151.9	67.3	0	0	0	110.9	A704 L705 L711 H712	A704-H708 WeakPolarHBondContact O-CB 3.36Å; A704-H708 PolarHBondContact O-N 3.35Å; L705-H708 PolarHBondContact O-N 3.09Å; H708-L711 PolarHBondContact O-N 2.84Å; H708-H712 PolarHBondContact O-CD2 3.08Å; H708-H712 PolarHBondContact O-N 3.5Å
709	Y	28.7	Very low	27.1	Very low	138 Å²	138	91.7 Å²	91.7	54%	0.541	51%	0.509	S	S	.	.	H	α-helix	trans	-73.4	-36.8	174.3	-88.6	-77.4	0	0	0	113	L705 L711 H712 V713	L705-Y709 WeakPolarHBondContact O-CD2 2.93Å; L705-Y709 PolarHBondContact O-N 2.81Å; Y709-L711 VanDerWaalsContact C-N 3.26Å; Y709-L711 PolarHBondContact O-N 3.36Å; Y709-H712 PolarHBondContact O-N 2.94Å; Y709-V713 WeakPolarHBondContact O-CG2 3.17Å; Y709-V713 PolarHBondContact O-N 3.26Å
710	G	25.2	Very low	26.8	Very low	29 Å²	29	92.5 Å²	92.5	30%	0.299	51%	0.513	S	S	.	.	H	α-helix	trans	-68.2	-23.4	172.3	0	0	0	0	0	112.8	A706 L707 G714	A706-G710 VanDerWaalsContact O-CA 3.25Å; A706-G710 WeakPolarHBondContact O-CA 3.41Å; A706-G710 PolarHBondContact O-N 2.94Å; L707-G710 CarbonylContact O-C 3.45Å; G710-G714 WeakPolarHBondContact O-CA 3.25Å; G710-G714 PolarHBondContact O-N 3.27Å
711	L	25.3	Very low	26.7	Very low	86 Å²	86	90.4 Å²	90.4	45%	0.45	50%	0.495	S	S	.	.	H	α-helix	trans	-77.6	-37.2	168.7	-87.4	158.2	0	0	0	111	L707 H708 Y709 G714 M715	L707-L711 HydrophobicContact CD2-CD1 4.32Å; L707-L711 WeakPolarHBondContact O-CA 3.45Å; L707-L711 WeakPolarHBondContact O-CB 3.41Å; L707-L711 VanDerWaalsContact O-CD1 3.32Å; L707-L711 WeakPolarHBondContact O-CD1 3.32Å; L707-L711 WeakPolarHBondContact O-CG 3.18Å; L707-L711 PolarHBondContact O-N 3.4Å; H708-L711 PolarHBondContact O-N 2.84Å; Y709-L711 VanDerWaalsContact C-N 3.26Å; Y709-L711 PolarHBondContact O-N 3.36Å; L711-G714 CarbonylContact O-C 3.56Å; L711-G714 WeakPolarHBondContact O-CA 3.34Å; L711-G714 PolarHBondContact O-N 2.78Å; L711-G714 VanDerWaalsContact O-N 3.11Å; L711-M715 PolarHBondContact O-N 3.33Å
712	H	27.3	Very low	26.6	Very low	131 Å²	131	85.5 Å²	85.5	61%	0.606	47%	0.473	S	S	*	.	H	α-helix	trans	-66.5	-36.7	171.7	-86.6	-66.8	0	0	0	112.8	H708 Y709 G714	H708-H712 PolarHBondContact O-CD2 3.08Å; H708-H712 PolarHBondContact O-N 3.5Å; Y709-H712 PolarHBondContact O-N 2.94Å; H712-G714 VanDerWaalsContact C-N 3.35Å
713	V	26.2	Very low	26.7	Very low	87 Å²	87	86.5 Å²	86.5	53%	0.527	48%	0.48	S	S	.	.	H	α-helix	trans	-74.4	-30.8	167.8	-179.5	0	0	0	0	110.8	Y709 M715 G716 G717	Y709-V713 WeakPolarHBondContact O-CG2 3.17Å; Y709-V713 PolarHBondContact O-N 3.26Å; V713-M715 PolarHBondContact O-N 3.19Å; V713-G716 CarbonylContact O-C 3.57Å; V713-G716 WeakPolarHBondContact O-CA 3.49Å; V713-G716 PolarHBondContact O-N 3.06Å; V713-G717 PolarHBondContact O-N 3.17Å; V713-G717 VanDerWaalsContact O-N 3.07Å
714	G	22.1	Very low	26.6	Very low	43 Å²	43	85.9 Å²	85.9	44%	0.443	48%	0.479	S	S	.	.	H	α-helix	trans	-66.9	-31.9	-179.4	0	0	0	0	0	113.7	G710 L711 H712 G716 G717	G710-G714 WeakPolarHBondContact O-CA 3.25Å; G710-G714 PolarHBondContact O-N 3.27Å; L711-G714 CarbonylContact O-C 3.56Å; L711-G714 WeakPolarHBondContact O-CA 3.34Å; L711-G714 PolarHBondContact O-N 2.78Å; L711-G714 VanDerWaalsContact O-N 3.11Å; H712-G714 VanDerWaalsContact C-N 3.35Å; G714-G716 PolarHBondContact O-N 2.89Å; G714-G717 PolarHBondContact O-N 2.82Å; G714-G717 VanDerWaalsContact O-N 3.07Å
715	M	25.9	Very low	26.6	Very low	169 Å²	169	84.9 Å²	84.9	83%	0.833	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-5.1	171.2	-65.1	-162.9	-159.6	0	0	113.5	L711 V713	L711-M715 PolarHBondContact O-N 3.33Å; V713-M715 PolarHBondContact O-N 3.19Å
716	G	23.2	Very low	26.7	Very low	59 Å²	59	87.9 Å²	87.9	61%	0.608	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	8.7	164.4	0	0	0	0	0	113.7	V713 G714 I718	V713-G716 CarbonylContact O-C 3.57Å; V713-G716 WeakPolarHBondContact O-CA 3.49Å; V713-G716 PolarHBondContact O-N 3.06Å; G714-G716 PolarHBondContact O-N 2.89Å; G716-I718 PolarHBondContact O-N 3.2Å; G716-I718 VanDerWaalsContact O-N 3.15Å
717	G	23.5	Very low	27	Very low	27 Å²	27	95.4 Å²	95.4	28%	0.278	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	77.2	-162.6	0	0	0	0	0	114.9	V713 G714	V713-G717 PolarHBondContact O-N 3.17Å; V713-G717 VanDerWaalsContact O-N 3.07Å; G714-G717 PolarHBondContact O-N 2.82Å; G714-G717 VanDerWaalsContact O-N 3.07Å
718	I	26.4	Very low	27.2	Very low	113 Å²	113	96.9 Å²	96.9	58%	0.579	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.8	-31.6	159.6	-62.4	179.8	0	0	0	111.8	G716 L748	G716-I718 PolarHBondContact O-N 3.2Å; G716-I718 VanDerWaalsContact O-N 3.15Å; I718-L748 HydrophobicContact CG2-CD1 4.5Å
719	R	26.4	Very low	27.6	Very low	194 Å²	194	96.8 Å²	96.8	73%	0.732	51%	0.51	S	S	*	.	H	α-helix	trans	-100.6	-21.7	-175.3	-71.3	-173.8	177.1	-179.2	0.4	116.1	L721 D722 C723	R719-L721 PolarHBondContact O-N 3.41Å; R719-D722 PolarHBondContact O-N 3.39Å; R719-C723 PolarHBondContact O-N 3.48Å
720	T	27.8	Very low	27.9	Very low	79 Å²	79	94.3 Å²	94.3	49%	0.485	51%	0.506	S	S	.	.	H	α-helix	trans	-65.1	-30.6	174.5	-40.5	0	0	0	0	111.4	C723 I724	T720-C723 PolarHBondContact O-N 3.35Å; T720-I724 PolarHBondContact O-N 3.14Å
721	L	26.9	Very low	28.7	Very low	48 Å²	48	93.1 Å²	93.1	25%	0.251	49%	0.493	S	S	.	.	H	α-helix	trans	-70.7	-37.8	173.9	-67.7	178.1	0	0	0	112.5	R719 C723 I724 F725 L739 T743	R719-L721 PolarHBondContact O-N 3.41Å; L721-C723 PolarHBondContact O-N 2.72Å; L721-I724 PolarHBondContact O-N 3.22Å; L721-F725 WeakPolarHBondContact O-CD2 3.45Å; L721-F725 PolarHBondContact O-N 3.49Å; L721-F725 VanDerWaalsContact O-N 3.07Å; L721-L739 HydrophobicContact CD1-CD2 4.24Å; L721-L739 HydrophobicContact CD2-CD2 3.3Å; L721-L739 HydrophobicContact CG-CD2 4.41Å; L721-T743 HydrophobicContact CD1-CG2 4.33Å
722	D	27.2	Very low	29.3	Very low	50 Å²	50	92.1 Å²	92.1	27%	0.267	49%	0.491	S	S	.	.	H	α-helix	trans	-59.6	-36.3	175.3	-103.2	9	0	0	0	111.2	R719 F726 R764	R719-D722 PolarHBondContact O-N 3.39Å; D722-F726 WeakPolarHBondContact O-CB 3.13Å; D722-F726 PolarHBondContact O-N 3.1Å; D722-F726 VanDerWaalsContact O-N 3.12Å; D722-R764 IonicContact OD1-CZ 3.57Å; D722-R764 IonicContact OD1-NH1 3.25Å; D722-R764 IonicContact OD1-NH2 2.99Å; D722-R764 PolarHBondContact OD1-NH2 2.74Å; D722-R764 IonicContact OD2-CZ 3.13Å; D722-R764 IonicContact OD2-NH1 2.68Å; D722-R764 PolarHBondContact OD2-NH1 2.98Å; D722-R764 IonicContact OD2-NH2 2.76Å; D722-R764 PolarHBondContact OD2-NH2 3.1Å
723	C	28.2	Very low	29.8	Very low	88 Å²	88	89.7 Å²	89.7	60%	0.595	48%	0.479	S	S	*	.	H	α-helix	trans	-68	-44.2	174.7	-88.4	0	0	0	0	113.3	R719 T720 L721 F725 F726 E727	R719-C723 PolarHBondContact O-N 3.48Å; T720-C723 PolarHBondContact O-N 3.35Å; L721-C723 PolarHBondContact O-N 2.72Å; C723-F725 VanDerWaalsContact C-N 3.34Å; C723-F725 PolarHBondContact O-N 2.91Å; C723-F726 PolarHBondContact O-N 2.93Å; C723-E727 PolarHBondContact O-N 3.2Å
724	I	26.8	Very low	30.4	Very low	79 Å²	79	88.3 Å²	88.3	41%	0.405	48%	0.482	S	S	.	.	H	α-helix	trans	-63.9	-41.6	-179.1	-64.5	170.9	0	0	0	110.4	T720 L721 E728 I731	T720-I724 PolarHBondContact O-N 3.14Å; L721-I724 PolarHBondContact O-N 3.22Å; I724-E728 PolarHBondContact O-N 2.87Å; I724-I731 HydrophobicContact CG2-CD1 4.43Å
725	F	27.5	Very low	31.2	Very low	31 Å²	31	89.3 Å²	89.3	14%	0.136	48%	0.479	C	S	.	.	H	α-helix	trans	-75	-21.9	178.4	-72.6	-63	0	0	0	114.3	L721 C723 I731 L739 V762	L721-F725 WeakPolarHBondContact O-CD2 3.45Å; L721-F725 PolarHBondContact O-N 3.49Å; L721-F725 VanDerWaalsContact O-N 3.07Å; C723-F725 VanDerWaalsContact C-N 3.34Å; C723-F725 PolarHBondContact O-N 2.91Å; F725-I731 HydrophobicContact CD1-CD1 3.75Å; F725-I731 HydrophobicContact CE1-CD1 3.47Å; F725-I731 VanDerWaalsContact CE1-CD1 3.47Å; F725-I731 HydrophobicContact CZ-CD1 4.38Å; F725-L739 HydrophobicContact CZ-CD1 4.15Å; F725-V762 HydrophobicContact CD1-CB 3.77Å; F725-V762 HydrophobicContact CD1-CG1 3.81Å; F725-V762 HydrophobicContact CD1-CG2 4.27Å; F725-V762 HydrophobicContact CE1-CB 3.61Å; F725-V762 HydrophobicContact CE1-CG1 3.52Å; F725-V762 HydrophobicContact CE1-CG2 3.68Å; F725-V762 HydrophobicContact CZ-CG1 4.17Å
726	F	32	Very low	31.6	Very low	173 Å²	173	81.4 Å²	81.4	76%	0.759	44%	0.441	S	S	*	.	H	α-helix	trans	-76.1	-35.1	175.4	-140.6	-85	0	0	0	111.9	D722 C723	D722-F726 WeakPolarHBondContact O-CB 3.13Å; D722-F726 PolarHBondContact O-N 3.1Å; D722-F726 VanDerWaalsContact O-N 3.12Å; C723-F726 PolarHBondContact O-N 2.93Å
727	E	33.6	Very low	32.3	Very low	178 Å²	178	83.1 Å²	83.1	83%	0.832	44%	0.436	S	S	*	.	H	α-helix	trans	-91.7	-35.3	-178	-71.6	-167.5	165	0	0	114	C723	C723-E727 PolarHBondContact O-N 3.2Å
728	E	30.9	Very low	33.1	Very low	114 Å²	114	84.8 Å²	84.8	53%	0.533	44%	0.443	S	S	.	.			trans	-118.2	98.4	-177.4	-73.4	-172	167.5	0	0	111.5	I724 D730	I724-E728 PolarHBondContact O-N 2.87Å; E728-D730 VanDerWaalsContact C-N 3.27Å; E728-D730 PolarHBondContact O-N 2.02Å
729	Q	37.6	Very low	33.5	Very low	117 Å²	117	80.7 Å²	80.7	55%	0.547	42%	0.423	S	S	.	.	S	Bend	trans	-74.5	-13.5	174.1	-69.5	-171.4	7.5	0	0	113.5	K761	Q729-K761 WeakPolarHBondContact O-CA 3.48Å
730	D	35.7	Very low	33.9	Very low	85 Å²	85	74.2 Å²	74.2	46%	0.455	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	102.7	-178.3	-87.9	-43.6	0	0	0	111.5	E728 K761	E728-D730 VanDerWaalsContact C-N 3.27Å; E728-D730 PolarHBondContact O-N 2.02Å; D730-K761 VanDerWaalsContact OD1-CE 3.27Å; D730-K761 WeakPolarHBondContact OD1-CE 3.25Å; D730-K761 WeakPolarHBondContact OD1-CG 3.19Å; D730-K761 WeakPolarHBondContact OD2-CE 3.41Å
731	I	41.4	Very low	34.4	Very low	5 Å²	5	75.6 Å²	75.6	3%	0.026	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143	-174.2	-57.7	178	0	0	0	110.6	I724 F725 K733 V735 H759 S760	I724-I731 HydrophobicContact CG2-CD1 4.43Å; F725-I731 HydrophobicContact CD1-CD1 3.75Å; F725-I731 HydrophobicContact CE1-CD1 3.47Å; F725-I731 VanDerWaalsContact CE1-CD1 3.47Å; F725-I731 HydrophobicContact CZ-CD1 4.38Å; I731-K733 PolarHBondContact O-N 3.49Å; I731-V735 HydrophobicContact CG2-CB 3.89Å; I731-V735 HydrophobicContact CG2-CG1 3.81Å; I731-H759 WeakPolarHBondContact O-CA 3.09Å; I731-S760 PolarHBondContact N-O 3.47Å; I731-S760 PolarHBondContact O-N 2.93Å
732	P	38.3	Very low	34.8	Very low	64 Å²	64	79 Å²	79	42%	0.416	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	136.1	174.8	-23.3	33.2	0	0	0	112.6	G734 V735 A736	P732-G734 VanDerWaalsContact C-N 3.27Å; P732-G734 PolarHBondContact O-N 2.79Å; P732-G734 VanDerWaalsContact O-N 3.07Å; P732-V735 PolarHBondContact O-N 2.96Å; P732-A736 PolarHBondContact O-N 3.15Å
733	K	38	Very low	35.2	Very low	81 Å²	81	76.9 Å²	76.9	35%	0.352	40%	0.404	S	S	.	.	H	α-helix	trans	-53.3	-36.1	-169.6	-152.6	172	-165	164.9	0	115.2	I731 N737 K755 K758	I731-K733 PolarHBondContact O-N 3.49Å; K733-N737 PolarHBondContact O-N 3.19Å; K733-K755 PolarHBondContact NZ-O 3.01Å; K733-K758 PolarHBondContact N-O 3.16Å
734	G	40.1	Very low	35.4	Very low	57 Å²	57	76 Å²	76	59%	0.588	40%	0.403	S	S	*	.	H	α-helix	trans	-67.9	-37.1	179	0	0	0	0	0	113.5	P732 S738	P732-G734 VanDerWaalsContact C-N 3.27Å; P732-G734 PolarHBondContact O-N 2.79Å; P732-G734 VanDerWaalsContact O-N 3.07Å; G734-S738 PolarHBondContact O-N 3.02Å
735	V	37.3	Very low	35.9	Very low	64 Å²	64	79.7 Å²	79.7	39%	0.388	42%	0.419	S	S	.	.	H	α-helix	trans	-71.7	-41.8	178	177.5	0	0	0	0	109.7	I731 P732 N737 S738 L739	I731-V735 HydrophobicContact CG2-CB 3.89Å; I731-V735 HydrophobicContact CG2-CG1 3.81Å; P732-V735 PolarHBondContact O-N 2.96Å; V735-N737 PolarHBondContact O-N 3.3Å; V735-S738 PolarHBondContact O-N 3.32Å; V735-L739 HydrophobicContact CG1-CD1 3.53Å; V735-L739 HydrophobicContact CG1-CG 4.4Å; V735-L739 VanDerWaalsContact O-CB 3.29Å; V735-L739 WeakPolarHBondContact O-CB 3.48Å; V735-L739 WeakPolarHBondContact O-CD1 3.39Å; V735-L739 WeakPolarHBondContact O-CG 3.1Å; V735-L739 PolarHBondContact O-N 3.33Å
736	A	34.8	Very low	36.1	Very low	4 Å²	4	81 Å²	81	3%	0.033	44%	0.436	C	S	.	.	H	α-helix	trans	-59.7	-42.2	176.9	0	0	0	0	0	113.2	P732 L739 L740	P732-A736 PolarHBondContact O-N 3.15Å; A736-L739 PolarHBondContact O-N 3.36Å; A736-L740 WeakPolarHBondContact O-CB 2.93Å; A736-L740 PolarHBondContact O-N 3.43Å
737	N	38.5	Very low	36	Very low	94 Å²	94	75.7 Å²	75.7	50%	0.503	43%	0.43	S	S	.	.	H	α-helix	trans	-67.6	-44.3	178.6	-77	-11.2	0	0	0	112.7	K733 V735 L739 L740 I741	K733-N737 PolarHBondContact O-N 3.19Å; V735-N737 PolarHBondContact O-N 3.3Å; N737-L739 VanDerWaalsContact C-N 3.29Å; N737-L739 PolarHBondContact O-N 2.84Å; N737-L740 PolarHBondContact O-N 3.15Å; N737-I741 WeakPolarHBondContact O-CG1 3.38Å; N737-I741 PolarHBondContact O-N 3.26Å
738	S	39	Very low	36.1	Very low	62 Å²	62	70.5 Å²	70.5	43%	0.434	41%	0.407	S	S	.	.	H	α-helix	trans	-64.6	-37.6	177.5	-168.4	0	0	0	0	111.4	G734 V735 R742	G734-S738 PolarHBondContact O-N 3.02Å; V735-S738 PolarHBondContact O-N 3.32Å; S738-R742 WeakPolarHBondContact O-CG 3.36Å; S738-R742 PolarHBondContact O-N 3.2Å
739	L	36.2	Very low	36.5	Very low	28 Å²	28	74 Å²	74	15%	0.147	42%	0.421	C	S	.	.	H	α-helix	trans	-66.1	-43.4	174.5	-82	162.3	0	0	0	112.7	L721 F725 V735 A736 N737 I741 R742 T743	L721-L739 HydrophobicContact CD1-CD2 4.24Å; L721-L739 HydrophobicContact CD2-CD2 3.3Å; L721-L739 HydrophobicContact CG-CD2 4.41Å; F725-L739 HydrophobicContact CZ-CD1 4.15Å; V735-L739 HydrophobicContact CG1-CD1 3.53Å; V735-L739 HydrophobicContact CG1-CG 4.4Å; V735-L739 VanDerWaalsContact O-CB 3.29Å; V735-L739 WeakPolarHBondContact O-CB 3.48Å; V735-L739 WeakPolarHBondContact O-CD1 3.39Å; V735-L739 WeakPolarHBondContact O-CG 3.1Å; V735-L739 PolarHBondContact O-N 3.33Å; A736-L739 PolarHBondContact O-N 3.36Å; N737-L739 VanDerWaalsContact C-N 3.29Å; N737-L739 PolarHBondContact O-N 2.84Å; L739-I741 PolarHBondContact O-N 3.29Å; L739-R742 PolarHBondContact O-N 3.13Å; L739-T743 WeakPolarHBondContact O-CG2 3.38Å; L739-T743 PolarHBondContact O-N 3.48Å; L739-T743 PolarHBondContact O-OG1 3Å; L739-T743 VanDerWaalsContact O-OG1 3.08Å
740	L	34.7	Very low	36.6	Very low	58 Å²	58	69.9 Å²	69.9	30%	0.304	40%	0.401	S	S	.	.	H	α-helix	trans	-59.4	-43.8	177.5	-96.4	170.8	0	0	0	112.6	A736 N737 R742 T743 A744 V752	A736-L740 WeakPolarHBondContact O-CB 2.93Å; A736-L740 PolarHBondContact O-N 3.43Å; N737-L740 PolarHBondContact O-N 3.15Å; L740-R742 VanDerWaalsContact C-N 3.26Å; L740-R742 PolarHBondContact O-N 3.35Å; L740-T743 WeakPolarHBondContact CA-OG1 3.39Å; L740-T743 PolarHBondContact O-N 3.38Å; L740-T743 PolarHBondContact O-OG1 3.25Å; L740-A744 VanDerWaalsContact O-CB 3.26Å; L740-A744 WeakPolarHBondContact O-CB 3.32Å; L740-A744 PolarHBondContact O-N 3.13Å; L740-V752 HydrophobicContact CD1-CB 4.25Å; L740-V752 HydrophobicContact CD1-CG2 3.39Å; L740-V752 HydrophobicContact CD2-CG2 4.09Å; L740-V752 HydrophobicContact CG-CG2 3.81Å
741	I	38	Very low	37	Very low	107 Å²	107	72.8 Å²	72.8	55%	0.549	41%	0.412	S	S	.	.	H	α-helix	trans	-60.9	-42.2	177.5	-66.5	168	0	0	0	109.7	N737 L739 Q745	N737-I741 WeakPolarHBondContact O-CG1 3.38Å; N737-I741 PolarHBondContact O-N 3.26Å; L739-I741 PolarHBondContact O-N 3.29Å; I741-Q745 VanDerWaalsContact O-CG 3.29Å; I741-Q745 WeakPolarHBondContact O-CG 3.39Å; I741-Q745 PolarHBondContact O-N 2.77Å
742	R	34.3	Very low	37	Very low	120 Å²	120	74.9 Å²	74.9	45%	0.453	42%	0.424	S	S	.	.	H	α-helix	trans	-76.3	-34.5	-177.9	-68.9	-176.1	-176.8	-152.3	1.5	113.3	S738 L739 L740 Q745 A746	S738-R742 WeakPolarHBondContact O-CG 3.36Å; S738-R742 PolarHBondContact O-N 3.2Å; L739-R742 PolarHBondContact O-N 3.13Å; L740-R742 VanDerWaalsContact C-N 3.26Å; L740-R742 PolarHBondContact O-N 3.35Å; R742-Q745 PolarHBondContact O-N 3.17Å; R742-A746 WeakPolarHBondContact O-CB 3.22Å; R742-A746 PolarHBondContact O-N 2.91Å
743	T	36	Very low	36.9	Very low	6 Å²	6	73.7 Å²	73.7	4%	0.037	42%	0.424	C	S	.	.	H	α-helix	trans	-70.7	-36.8	173.4	51.1	0	0	0	0	111.5	L721 L739 L740 A746 G747 L748 F750	L721-T743 HydrophobicContact CD1-CG2 4.33Å; L739-T743 WeakPolarHBondContact O-CG2 3.38Å; L739-T743 PolarHBondContact O-N 3.48Å; L739-T743 PolarHBondContact O-OG1 3Å; L739-T743 VanDerWaalsContact O-OG1 3.08Å; L740-T743 WeakPolarHBondContact CA-OG1 3.39Å; L740-T743 PolarHBondContact O-N 3.38Å; L740-T743 PolarHBondContact O-OG1 3.25Å; T743-A746 CarbonylContact O-C 3.58Å; T743-A746 PolarHBondContact O-N 2.97Å; T743-A746 VanDerWaalsContact O-N 3.17Å; T743-G747 PolarHBondContact O-N 2.95Å; T743-G747 VanDerWaalsContact O-N 3.1Å; T743-L748 CarbonylContact C-O 3.46Å; T743-L748 PolarHBondContact O-N 3.04Å; T743-F750 HydrophobicContact CG2-CD2 4.07Å; T743-F750 HydrophobicContact CG2-CE2 4.21Å
744	A	32.6	Very low	36.9	Very low	70 Å²	70	78.4 Å²	78.4	58%	0.579	45%	0.448	S	S	*	.	H	α-helix	trans	-62.2	-42.8	171.6	0	0	0	0	0	111.7	L740 A746 G747	L740-A744 VanDerWaalsContact O-CB 3.26Å; L740-A744 WeakPolarHBondContact O-CB 3.32Å; L740-A744 PolarHBondContact O-N 3.13Å; A744-A746 VanDerWaalsContact C-N 3.27Å; A744-A746 PolarHBondContact O-N 3.15Å; A744-G747 PolarHBondContact O-N 2.82Å; A744-G747 VanDerWaalsContact O-N 3.12Å
745	Q	37.8	Very low	36.8	Very low	155 Å²	155	83.7 Å²	83.7	72%	0.724	45%	0.454	S	S	*	.	H	α-helix	trans	-63.2	-32.5	173.2	-75.8	174.6	-17.8	0	0	112.9	I741 R742 G747	I741-Q745 VanDerWaalsContact O-CG 3.29Å; I741-Q745 WeakPolarHBondContact O-CG 3.39Å; I741-Q745 PolarHBondContact O-N 2.77Å; R742-Q745 PolarHBondContact O-N 3.17Å; Q745-G747 VanDerWaalsContact C-N 3.28Å; Q745-G747 PolarHBondContact O-N 2.76Å
746	A	31.5	Very low	36.7	Very low	60 Å²	60	87.4 Å²	87.4	50%	0.496	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	5.8	175.6	0	0	0	0	0	113.9	R742 T743 A744 L748	R742-A746 WeakPolarHBondContact O-CB 3.22Å; R742-A746 PolarHBondContact O-N 2.91Å; T743-A746 CarbonylContact O-C 3.58Å; T743-A746 PolarHBondContact O-N 2.97Å; T743-A746 VanDerWaalsContact O-N 3.17Å; A744-A746 VanDerWaalsContact C-N 3.27Å; A744-A746 PolarHBondContact O-N 3.15Å; A746-L748 VanDerWaalsContact C-N 3.31Å; A746-L748 PolarHBondContact O-N 3.06Å
747	G	30	Very low	37.1	Very low	61 Å²	61	89.4 Å²	89.4	63%	0.629	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	8.4	177.9	0	0	0	0	0	115.6	T743 A744 Q745	T743-G747 PolarHBondContact O-N 2.95Å; T743-G747 VanDerWaalsContact O-N 3.1Å; A744-G747 PolarHBondContact O-N 2.82Å; A744-G747 VanDerWaalsContact O-N 3.12Å; Q745-G747 VanDerWaalsContact C-N 3.28Å; Q745-G747 PolarHBondContact O-N 2.76Å
748	L	35.8	Very low	37.5	Very low	69 Å²	69	93.6 Å²	93.6	36%	0.361	51%	0.511	S	S	.	.			trans	-95.9	111.8	-178.6	-63.4	170.5	0	0	0	110.5	I718 T743 A746 F750	I718-L748 HydrophobicContact CG2-CD1 4.5Å; T743-L748 CarbonylContact C-O 3.46Å; T743-L748 PolarHBondContact O-N 3.04Å; A746-L748 VanDerWaalsContact C-N 3.31Å; A746-L748 PolarHBondContact O-N 3.06Å; L748-F750 HydrophobicContact CB-CD2 4.11Å; L748-F750 HydrophobicContact CB-CE2 3.81Å; L748-F750 HydrophobicContact CD1-CE2 4.42Å; L748-F750 PolarHBondContact O-N 2.99Å
749	K	38.6	Very low	37.3	Very low	188 Å²	188	95.1 Å²	95.1	82%	0.817	51%	0.512	S	S	*	.			trans	-85.1	95.9	-178.1	-67.7	-177	-179.7	177.1	0	111.4	T765	K749-T765 PolarHBondContact O-OG1 2.97Å
750	F	40.3	Very low	37.5	Very low	30 Å²	30	94 Å²	94	13%	0.132	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	140.3	169.8	-71.9	-90.5	0	0	0	111	T743 L748 V762 R764	T743-F750 HydrophobicContact CG2-CD2 4.07Å; T743-F750 HydrophobicContact CG2-CE2 4.21Å; L748-F750 HydrophobicContact CB-CD2 4.11Å; L748-F750 HydrophobicContact CB-CE2 3.81Å; L748-F750 HydrophobicContact CD1-CE2 4.42Å; L748-F750 PolarHBondContact O-N 2.99Å; F750-V762 HydrophobicContact CB-CG1 4.32Å; F750-V762 HydrophobicContact CD1-CG1 4.24Å; F750-R764 HydrophobicContact CE1-CB 4.13Å; F750-R764 HydrophobicContact CE1-CG 3.98Å
751	Q	43.5	Very low	37.9	Very low	146 Å²	146	96.4 Å²	96.4	68%	0.682	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.1	170.7	-79.2	-176.5	-8.5	0	0	110.3	K763	Q751-K763 PolarHBondContact O-N 3.13Å
752	V	42.7	Very low	38.1	Very low	48 Å²	48	92.1 Å²	92.1	29%	0.291	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	118.3	172.9	179.4	0	0	0	0	108.4	L740 V762	L740-V752 HydrophobicContact CD1-CB 4.25Å; L740-V752 HydrophobicContact CD1-CG2 3.39Å; L740-V752 HydrophobicContact CD2-CG2 4.09Å; L740-V752 HydrophobicContact CG-CG2 3.81Å; V752-V762 HydrophobicContact CG2-CG2 4.09Å
753	G	36.5	Very low	38.5	Very low	40 Å²	40	93.7 Å²	93.7	41%	0.412	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	153.7	176.7	0	0	0	0	0	112.7	K761	G753-K761 PolarHBondContact N-O 2.98Å
754	E	36	Very low	38.7	Very low	180 Å²	180	100.9 Å²	100.9	84%	0.841	53%	0.529	S	S	*	.			trans	-1.9	124.3	-174.9	-75.4	-177.7	144.2	0	0	119.5	V756	E754-V756 VanDerWaalsContact C-N 3.29Å; E754-V756 PolarHBondContact O-N 3.49Å; E754-V756 VanDerWaalsContact O-N 3.14Å
755	K	38.2	Very low	38.8	Very low	168 Å²	168	101.6 Å²	101.6	73%	0.73	53%	0.526	S	S	*	.			trans	-78.8	13.2	-168	-70.8	179.7	175.2	175.6	0	116.1	K733 G757	K733-K755 PolarHBondContact NZ-O 3.01Å; K755-G757 PolarHBondContact O-N 3.27Å
756	V	36.7	Very low	38.5	Very low	142 Å²	142	103.8 Å²	103.8	86%	0.861	53%	0.534	S	S	*	.			trans	-96.6	97.2	-169.1	-166.1	0	0	0	0	110.7	E754	E754-V756 VanDerWaalsContact C-N 3.29Å; E754-V756 PolarHBondContact O-N 3.49Å; E754-V756 VanDerWaalsContact O-N 3.14Å
757	G	42.7	Very low	38.4	Very low	46 Å²	46	108.5 Å²	108.5	47%	0.474	55%	0.55	S	S	.	*	S	Bend	trans	135.9	179.4	177.9	0	0	0	0	0	115.1	K755 H759	K755-G757 PolarHBondContact O-N 3.27Å; G757-H759 VanDerWaalsContact C-N 3.26Å
758	K	47.3	Very low	38.3	Very low	181 Å²	181	114 Å²	114	79%	0.787	56%	0.564	S	S	*	*	S	Bend	trans	-74.1	-15.1	176.3	-74.3	-174.9	178.6	179.2	0	113.5	K733	K733-K758 PolarHBondContact N-O 3.16Å
759	H	33.9	Very low	37.9	Very low	95 Å²	95	115.2 Å²	115.2	44%	0.44	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.8	153.8	-177.1	-61.6	-81.4	0	0	0	110.2	I731 G757	I731-H759 WeakPolarHBondContact O-CA 3.09Å; G757-H759 VanDerWaalsContact C-N 3.26Å
760	S	40	Very low	37.3	Very low	5 Å²	5	113.6 Å²	113.6	4%	0.035	58%	0.579	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.5	137.1	179.2	-58.7	0	0	0	0	110.1	I731	I731-S760 PolarHBondContact N-O 3.47Å; I731-S760 PolarHBondContact O-N 2.93Å
761	K	43.4	Very low	36.5	Very low	108 Å²	108	120.6 Å²	120.6	47%	0.47	61%	0.612	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.4	129.8	179.6	-73	-170.1	175.7	-178.1	0	111.6	Q729 D730 G753	Q729-K761 WeakPolarHBondContact O-CA 3.48Å; D730-K761 VanDerWaalsContact OD1-CE 3.27Å; D730-K761 WeakPolarHBondContact OD1-CE 3.25Å; D730-K761 WeakPolarHBondContact OD1-CG 3.19Å; D730-K761 WeakPolarHBondContact OD2-CE 3.41Å; G753-K761 PolarHBondContact N-O 2.98Å
762	V	42.3	Very low	35.7	Very low	16 Å²	16	118.4 Å²	118.4	10%	0.097	61%	0.613	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.7	128.2	-177.8	-171	0	0	0	0	110.1	F725 F750 V752	F725-V762 HydrophobicContact CD1-CB 3.77Å; F725-V762 HydrophobicContact CD1-CG1 3.81Å; F725-V762 HydrophobicContact CD1-CG2 4.27Å; F725-V762 HydrophobicContact CE1-CB 3.61Å; F725-V762 HydrophobicContact CE1-CG1 3.52Å; F725-V762 HydrophobicContact CE1-CG2 3.68Å; F725-V762 HydrophobicContact CZ-CG1 4.17Å; F750-V762 HydrophobicContact CB-CG1 4.32Å; F750-V762 HydrophobicContact CD1-CG1 4.24Å; V752-V762 HydrophobicContact CG2-CG2 4.09Å
763	K	43.3	Very low	34.9	Very low	153 Å²	153	122.8 Å²	122.8	67%	0.665	64%	0.635	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-125.3	143.5	177.1	-72.5	-173.6	178.8	179.3	0	111.7	Q751	Q751-K763 PolarHBondContact O-N 3.13Å
764	R	39.1	Very low	34.4	Very low	158 Å²	158	127.3 Å²	127.3	60%	0.596	66%	0.655	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.9	128.7	176.2	-160.9	177.7	-170.3	154.6	11.6	109.4	D722 F750 K766	D722-R764 IonicContact OD1-CZ 3.57Å; D722-R764 IonicContact OD1-NH1 3.25Å; D722-R764 IonicContact OD1-NH2 2.99Å; D722-R764 PolarHBondContact OD1-NH2 2.74Å; D722-R764 IonicContact OD2-CZ 3.13Å; D722-R764 IonicContact OD2-NH1 2.68Å; D722-R764 PolarHBondContact OD2-NH1 2.98Å; D722-R764 IonicContact OD2-NH2 2.76Å; D722-R764 PolarHBondContact OD2-NH2 3.1Å; F750-R764 HydrophobicContact CE1-CB 4.13Å; F750-R764 HydrophobicContact CE1-CG 3.98Å; R764-K766 PolarHBondContact O-N 2.95Å
765	T	34.4	Very low	33.9	Very low	84 Å²	84	125.5 Å²	125.5	52%	0.515	65%	0.651	S	S	.	*	P	Polyproline II helix	trans	-71	117.1	173.9	24.8	0	0	0	0	109.4	K749	K749-T765 PolarHBondContact O-OG1 2.97Å
766	K	33.2	Very low	33.4	Very low	201 Å²	201	122.5 Å²	122.5	87%	0.874	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-76.4	123.6	174	-80	-176.9	174.5	-178.4	0	109.3	R764	R764-K766 PolarHBondContact O-N 2.95Å
767	N	29	Very low	32.9	Very low	159 Å²	159	123.9 Å²	123.9	85%	0.85	65%	0.654	S	S	*	*			trans	21.9	95.5	160.6	-61	-1.4	0	0	0	116.3	S769	N767-S769 PolarHBondContact O-N 3.44Å
768	L	27.7	Very low	32.1	Very low	176 Å²	176	129.7 Å²	129.7	92%	0.921	68%	0.675	S	S	*	*			trans	-77.3	110.2	139.9	-85.7	152.4	0	0	0	104.8
769	S	27.4	Very low	31	Very low	95 Å²	95	132.8 Å²	132.8	66%	0.664	68%	0.682	S	S	*	*			trans	-42.3	144.1	172.7	40.8	0	0	0	0	111.9	N767 E771	N767-S769 PolarHBondContact O-N 3.44Å; S769-E771 VanDerWaalsContact C-N 3.27Å; S769-E771 PolarHBondContact O-N 3.44Å
770	D	25.4	Very low	30.7	Very low	154 Å²	154	133.5 Å²	133.5	82%	0.824	70%	0.697	S	S	*	*			trans	-50.1	83.5	170.9	-64	-53.9	0	0	0	111.9	S772	D770-S772 PolarHBondContact O-N 2.9Å; D770-S772 VanDerWaalsContact O-N 3.17Å
771	E	24.6	Very low	30	Very low	178 Å²	178	147 Å²	147	83%	0.832	76%	0.755	S	S	*	*			trans	-81.3	60.1	150.3	-75.7	-173.5	169.6	0	0	107.8	S769 N773	S769-E771 VanDerWaalsContact C-N 3.27Å; S769-E771 PolarHBondContact O-N 3.44Å; E771-N773 PolarHBondContact O-N 3.5Å
772	S	26.9	Very low	29.4	Very low	100 Å²	100	149 Å²	149	70%	0.699	77%	0.769	S	S	*	*			trans	-76.7	64.5	153.2	63.2	0	0	0	0	107.7	D770	D770-S772 PolarHBondContact O-N 2.9Å; D770-S772 VanDerWaalsContact O-N 3.17Å
773	N	24.5	Very low	28.7	Very low	139 Å²	139	155.9 Å²	155.9	74%	0.743	81%	0.805	S	S	*	*			trans	-150.1	91.2	169.8	-100.5	-15.1	0	0	0	107.1	E771	E771-N773 PolarHBondContact O-N 3.5Å
774	T	27.2	Very low	27.9	Very low	136 Å²	136	156.1 Å²	156.1	83%	0.834	81%	0.813	S	S	*	*				175.7	102.4	122.7	30.6	0	0	0	0	108.7
775	N	24.3	Very low	27.2	Very low	142 Å²	142	156 Å²	156	76%	0.759	83%	0.825	S	S	*	*			trans	4.3	119.1	143.1	-62.2	-30.3	0	0	0	115.8	E777	N775-E777 PolarHBondContact O-N 2.82Å
776	A	27.4	Very low	26.8	Very low	105 Å²	105	160.5 Å²	160.5	87%	0.868	85%	0.845	S	S	*	*				33.3	21.3	103.5	0	0	0	0	0	120.5
777	E	26.1	Very low	26.3	Very low	170 Å²	170	157.8 Å²	157.8	79%	0.794	84%	0.843	S	S	*	*			trans	-106.1	85.4	166.5	-78.6	-171.9	163.3	0	0	108.6	N775	N775-E777 PolarHBondContact O-N 2.82Å
778	N	26.7	Very low	26.2	Very low	168 Å²	168	157.7 Å²	157.7	90%	0.898	84%	0.842	S	S	*	*			trans	-165.6	20.8	147	-94	-23.8	0	0	0	112.6
779	R	25.2	Very low	26	Very low	247 Å²	247	156.3 Å²	156.3	93%	0.932	84%	0.836	S	S	*	*	S	Bend	trans	-99.4	61.7	164.9	-73.6	-170.8	177.5	-177.9	0.2	110.5
780	S	25.7	Very low	25.9	Very low	110 Å²	110	161.4 Å²	161.4	77%	0.769	85%	0.85	S	S	*	*			trans	176.8	80	156.3	48.2	0	0	0	0	111.4
781	K	27.1	Very low	26	Very low	288 Å²	288	162.1 Å²	162.1	100%	1.252	85%	0.853	S	S	*	*			trans	171.6	0	135.2	-96.1	174.4	-177.7	179.9	0	110.5

Retrieved 781 of 781 residues in 1110.2 ms (Link to these results)

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