A0A3Q0KTA7_SCHMA Loading...

ANK_REP_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KTA7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 580 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	41.1	Very low	47.5	Very low	224 Å²	224	140.5 Å²	140.5	100%	1.103	81%	0.806	S	S	*	*				0	89.1	0	-53.1	-171.2	-156.7	0	0	105.4
2	N	39.3	Very low	49.5	Very low	137 Å²	137	136 Å²	136	73%	0.733	78%	0.778	S	S	*	*				85.6	135.5	51.5	-60.8	32.7	0	0	0	111.3
3	H	41.4	Very low	51.7	Low	166 Å²	166	134 Å²	134	77%	0.769	76%	0.759	S	S	*	*			trans	65.6	95.2	175.8	-46.3	-69.2	0	0	0	116
4	L	48.4	Very low	53.9	Low	151 Å²	151	135.6 Å²	135.6	79%	0.791	75%	0.754	S	S	*	*				-163.4	75.3	107.3	-100.7	164.9	0	0	0	110.4	N6	L4-N6 WeakPolarHBondContact CD2-ND2 3.2Å; L4-N6 PolarHBondContact O-N 2.72Å
5	Q	38.9	Very low	55.9	Low	191 Å²	191	139.9 Å²	139.9	89%	0.893	75%	0.754	S	S	*	*			trans	-72.4	113.2	155.2	-68.4	166.1	-72.8	0	0	107
6	N	45	Very low	57.7	Low	141 Å²	141	134.8 Å²	134.8	75%	0.754	73%	0.725	S	S	*	*			trans	-148.7	109	164.5	-96	-31.7	0	0	0	107.7	L4 S8	L4-N6 WeakPolarHBondContact CD2-ND2 3.2Å; L4-N6 PolarHBondContact O-N 2.72Å; N6-S8 PolarHBondContact O-N 3.21Å
7	G	39.1	Very low	59.6	Low	77 Å²	77	133 Å²	133	79%	0.794	71%	0.711	S	S	*	*			trans	-81.3	117.1	-175.7	0	0	0	0	0	111.4
8	S	53.3	Low	61.3	Low	114 Å²	114	128.1 Å²	128.1	80%	0.797	69%	0.693	S	S	*	*			trans	-59.9	126.4	153.9	-54.6	0	0	0	0	107.8	N6 A10	N6-S8 PolarHBondContact O-N 3.21Å; S8-A10 PolarHBondContact O-N 3.1Å
9	P	57	Low	63	Low	112 Å²	112	124.4 Å²	124.4	73%	0.727	68%	0.681	S	S	*	*			trans	-64.4	111.7	167.7	27.3	-31.5	0	0	0	106.8	L11	P9-L11 PolarHBondContact O-N 3.35Å
10	A	57.1	Low	64.6	Low	96 Å²	96	125.1 Å²	125.1	79%	0.793	68%	0.677	S	S	*	*			trans	-54.7	113.6	172.9	0	0	0	0	0	107.3	S8 D12	S8-A10 PolarHBondContact O-N 3.1Å; A10-D12 PolarHBondContact O-N 3.45Å
11	L	62	Low	66	Low	137 Å²	137	121.8 Å²	121.8	72%	0.717	67%	0.667	S	S	*	*			trans	-58.6	109.1	-172.8	-77.6	170.6	0	0	0	108.4	P9 M13 I16	P9-L11 PolarHBondContact O-N 3.35Å; L11-M13 PolarHBondContact O-N 3.14Å; L11-I16 HydrophobicContact CB-CD1 4.02Å
12	D	71.8	Confident	68.6	Low	86 Å²	86	116.4 Å²	116.4	46%	0.46	64%	0.643	S	S	.	*			trans	-61.3	106.3	-175.9	175.4	19.2	0	0	0	109.1	A10 K14 R15 I16	A10-D12 PolarHBondContact O-N 3.45Å; D12-K14 PolarHBondContact O-N 3.31Å; D12-K14 WeakPolarHBondContact OD1-CB 3.5Å; D12-K14 PolarHBondContact OD1-N 2.87Å; D12-R15 HydrophobicContact CB-CB 3.95Å; D12-R15 WeakPolarHBondContact O-CA 3.46Å; D12-R15 WeakPolarHBondContact O-CB 3.2Å; D12-R15 PolarHBondContact O-N 2.96Å; D12-R15 PolarHBondContact OD2-N 3.1Å; D12-I16 PolarHBondContact O-N 2.99Å
13	M	78.3	Confident	71.3	Confident	110 Å²	110	116.7 Å²	116.7	54%	0.542	63%	0.633	S	S	.	*	H	α-helix	trans	-55.8	-34.2	-179.5	-78.1	-63.7	-60.7	0	0	111	L11 R15 I16 E17	L11-M13 PolarHBondContact O-N 3.14Å; M13-R15 VanDerWaalsContact C-N 3.33Å; M13-R15 PolarHBondContact O-N 3.4Å; M13-I16 PolarHBondContact O-N 3.17Å; M13-E17 WeakPolarHBondContact O-CB 3.29Å; M13-E17 VanDerWaalsContact O-CG 3.23Å; M13-E17 WeakPolarHBondContact O-CG 3.38Å; M13-E17 PolarHBondContact O-N 2.9Å
14	K	82.3	Confident	73.9	Confident	156 Å²	156	115.6 Å²	115.6	68%	0.678	63%	0.629	S	S	*	*	H	α-helix	trans	-65.8	-36	176.4	-57.2	177.7	-179.9	178.7	0	111.8	D12 A18	D12-K14 PolarHBondContact O-N 3.31Å; D12-K14 WeakPolarHBondContact OD1-CB 3.5Å; D12-K14 PolarHBondContact OD1-N 2.87Å; K14-A18 WeakPolarHBondContact O-CB 3.2Å; K14-A18 PolarHBondContact O-N 3.25Å
15	R	83.7	Confident	76.2	Confident	200 Å²	200	113 Å²	113	76%	0.755	62%	0.615	S	S	*	*	H	α-helix	trans	-69.7	-36.9	174.5	-170.3	177.4	-179.9	-178.6	-0	111.8	D12 M13 A19	D12-R15 HydrophobicContact CB-CB 3.95Å; D12-R15 WeakPolarHBondContact O-CA 3.46Å; D12-R15 WeakPolarHBondContact O-CB 3.2Å; D12-R15 PolarHBondContact O-N 2.96Å; D12-R15 PolarHBondContact OD2-N 3.1Å; M13-R15 VanDerWaalsContact C-N 3.33Å; M13-R15 PolarHBondContact O-N 3.4Å; R15-A19 WeakPolarHBondContact O-CB 3.39Å; R15-A19 PolarHBondContact O-N 2.87Å
16	I	84.5	Confident	78.8	Confident	59 Å²	59	109 Å²	109	30%	0.303	60%	0.596	S	S	.	*	H	α-helix	trans	-70.2	-43.2	174.7	-67.2	176.5	0	0	0	111	L11 D12 M13 A19 K20	L11-I16 HydrophobicContact CB-CD1 4.02Å; D12-I16 PolarHBondContact O-N 2.99Å; M13-I16 PolarHBondContact O-N 3.17Å; I16-A19 PolarHBondContact O-N 3.02Å; I16-K20 HydrophobicContact CG2-CD 4.35Å; I16-K20 WeakPolarHBondContact O-CG 3.36Å; I16-K20 PolarHBondContact O-N 3.26Å
17	E	89.7	Confident	81.3	Confident	104 Å²	104	106.1 Å²	106.1	49%	0.486	58%	0.58	S	S	.	*	H	α-helix	trans	-63.9	-45	176	-74.1	161.3	-168.4	0	0	111.4	M13 A19 K20 A21	M13-E17 WeakPolarHBondContact O-CB 3.29Å; M13-E17 VanDerWaalsContact O-CG 3.23Å; M13-E17 WeakPolarHBondContact O-CG 3.38Å; M13-E17 PolarHBondContact O-N 2.9Å; E17-A19 VanDerWaalsContact C-N 3.34Å; E17-A19 PolarHBondContact O-N 3.31Å; E17-K20 PolarHBondContact O-N 3.42Å; E17-A21 WeakPolarHBondContact O-CB 3.36Å; E17-A21 PolarHBondContact O-N 3.31Å
18	A	90.8	Very high	83.9	Confident	45 Å²	45	107.3 Å²	107.3	37%	0.372	57%	0.566	S	S	.	*	H	α-helix	trans	-61.5	-40	173	0	0	0	0	0	112.2	K14 A21 N22	K14-A18 WeakPolarHBondContact O-CB 3.2Å; K14-A18 PolarHBondContact O-N 3.25Å; A18-A21 PolarHBondContact O-N 2.93Å; A18-N22 VanDerWaalsContact O-CB 3.27Å; A18-N22 WeakPolarHBondContact O-CB 3.24Å; A18-N22 PolarHBondContact O-N 3.33Å; A18-N22 PolarHBondContact O-ND2 2.9Å
19	A	92.5	Very high	85.9	Confident	58 Å²	58	106.3 Å²	106.3	48%	0.479	55%	0.551	S	S	.	*	H	α-helix	trans	-63.8	-41.8	174.8	0	0	0	0	0	112.2	R15 I16 E17 R23	R15-A19 WeakPolarHBondContact O-CB 3.39Å; R15-A19 PolarHBondContact O-N 2.87Å; I16-A19 PolarHBondContact O-N 3.02Å; E17-A19 VanDerWaalsContact C-N 3.34Å; E17-A19 PolarHBondContact O-N 3.31Å; A19-R23 WeakPolarHBondContact O-CB 3.33Å; A19-R23 PolarHBondContact O-N 3.01Å
20	K	95.2	Very high	87.6	Confident	138 Å²	138	108 Å²	108	60%	0.6	54%	0.543	S	S	*	.	H	α-helix	trans	-62.9	-47.8	174	-73.2	174	179	179.7	0	111.7	I16 E17 R23 Q24	I16-K20 HydrophobicContact CG2-CD 4.35Å; I16-K20 WeakPolarHBondContact O-CG 3.36Å; I16-K20 PolarHBondContact O-N 3.26Å; E17-K20 PolarHBondContact O-N 3.42Å; K20-R23 PolarHBondContact O-N 2.9Å; K20-Q24 WeakPolarHBondContact O-CB 3.48Å; K20-Q24 PolarHBondContact O-N 3.24Å
21	A	95.2	Very high	89.3	Confident	56 Å²	56	110.5 Å²	110.5	46%	0.463	53%	0.532	S	S	.	.	H	α-helix	trans	-61.3	-44.8	177.8	0	0	0	0	0	112	E17 A18 R23 Q24 L25	E17-A21 WeakPolarHBondContact O-CB 3.36Å; E17-A21 PolarHBondContact O-N 3.31Å; A18-A21 PolarHBondContact O-N 2.93Å; A21-R23 PolarHBondContact O-N 2.84Å; A21-Q24 PolarHBondContact O-N 3.33Å; A21-L25 PolarHBondContact O-N 3.14Å
22	N	95.3	Very high	90.7	Very high	110 Å²	110	106.3 Å²	106.3	59%	0.588	51%	0.51	S	S	*	.	H	α-helix	trans	-62.7	-39.6	175.9	-72.3	-18.8	0	0	0	112.2	A18 L25 Q26	A18-N22 VanDerWaalsContact O-CB 3.27Å; A18-N22 WeakPolarHBondContact O-CB 3.24Å; A18-N22 PolarHBondContact O-N 3.33Å; A18-N22 PolarHBondContact O-ND2 2.9Å; N22-L25 PolarHBondContact O-N 3.35Å; N22-Q26 WeakPolarHBondContact O-CB 3.17Å; N22-Q26 PolarHBondContact O-N 3.09Å
23	R	96.3	Very high	91.5	Very high	143 Å²	143	107.8 Å²	107.8	54%	0.54	51%	0.51	S	S	.	.	H	α-helix	trans	-67.2	-36.7	174.3	-177.9	56.5	168	-164.6	-4.8	112.1	A19 K20 A21 Q26 L27	A19-R23 WeakPolarHBondContact O-CB 3.33Å; A19-R23 PolarHBondContact O-N 3.01Å; K20-R23 PolarHBondContact O-N 2.9Å; A21-R23 PolarHBondContact O-N 2.84Å; R23-Q26 VanDerWaalsContact CD-OE1 3.25Å; R23-Q26 WeakPolarHBondContact O-CB 3.48Å; R23-Q26 PolarHBondContact O-N 3.08Å; R23-L27 HydrophobicContact CG-CD1 4.36Å; R23-L27 VanDerWaalsContact O-CG 3.31Å; R23-L27 WeakPolarHBondContact O-CG 3.48Å; R23-L27 PolarHBondContact O-N 3.49Å
24	Q	95.6	Very high	91.9	Very high	144 Å²	144	106.5 Å²	106.5	67%	0.673	50%	0.503	S	S	*	.	H	α-helix	trans	-67.3	-43.3	175.9	-172.1	163.9	-17	0	0	111.5	K20 A21 Q26 L27 E28	K20-Q24 WeakPolarHBondContact O-CB 3.48Å; K20-Q24 PolarHBondContact O-N 3.24Å; A21-Q24 PolarHBondContact O-N 3.33Å; Q24-Q26 VanDerWaalsContact C-N 3.34Å; Q24-Q26 PolarHBondContact O-N 2.91Å; Q24-L27 PolarHBondContact O-N 3.47Å; Q24-E28 PolarHBondContact O-N 2.97Å
25	L	95.9	Very high	92.2	Very high	96 Å²	96	105.3 Å²	105.3	50%	0.503	49%	0.494	S	S	.	.	H	α-helix	trans	-61.6	-40	172.2	-168.4	77.2	0	0	0	112	A21 N22 E28 N29	A21-L25 PolarHBondContact O-N 3.14Å; N22-L25 PolarHBondContact O-N 3.35Å; L25-E28 PolarHBondContact O-N 3.06Å; L25-N29 WeakPolarHBondContact O-CB 3.35Å; L25-N29 PolarHBondContact O-N 3.12Å; L25-N29 PolarHBondContact O-ND2 3.05Å
26	Q	95.2	Very high	92.3	Very high	107 Å²	107	101.8 Å²	101.8	50%	0.5	49%	0.486	S	S	.	.	H	α-helix	trans	-60.3	-44.6	174.7	-174.8	-177.2	37.8	0	0	111.7	N22 R23 Q24 N29 W30	N22-Q26 WeakPolarHBondContact O-CB 3.17Å; N22-Q26 PolarHBondContact O-N 3.09Å; R23-Q26 VanDerWaalsContact CD-OE1 3.25Å; R23-Q26 WeakPolarHBondContact O-CB 3.48Å; R23-Q26 PolarHBondContact O-N 3.08Å; Q24-Q26 VanDerWaalsContact C-N 3.34Å; Q24-Q26 PolarHBondContact O-N 2.91Å; Q26-N29 PolarHBondContact O-N 3.2Å; Q26-W30 WeakPolarHBondContact O-CB 3.42Å; Q26-W30 PolarHBondContact O-N 3.49Å
27	L	95.9	Very high	92	Very high	80 Å²	80	102.4 Å²	102.4	42%	0.419	49%	0.488	S	S	.	.	H	α-helix	trans	-69.1	-33.2	178.1	-69.6	168.3	0	0	0	112.5	R23 Q24 R31	R23-L27 HydrophobicContact CG-CD1 4.36Å; R23-L27 VanDerWaalsContact O-CG 3.31Å; R23-L27 WeakPolarHBondContact O-CG 3.48Å; R23-L27 PolarHBondContact O-N 3.49Å; Q24-L27 PolarHBondContact O-N 3.47Å; L27-R31 WeakPolarHBondContact O-CG 3.39Å; L27-R31 PolarHBondContact O-N 3.5Å; L27-R31 VanDerWaalsContact O-N 3.08Å
28	E	95.4	Very high	91.2	Very high	103 Å²	103	102.7 Å²	102.7	48%	0.481	49%	0.49	S	S	.	.	H	α-helix	trans	-69.3	-45	173.5	-172.6	173.1	176.6	0	0	111.9	Q24 L25 W30 R31 N32	Q24-E28 PolarHBondContact O-N 2.97Å; L25-E28 PolarHBondContact O-N 3.06Å; E28-W30 VanDerWaalsContact C-N 3.28Å; E28-W30 PolarHBondContact O-N 2.83Å; E28-R31 PolarHBondContact O-N 3.37Å; E28-N32 VanDerWaalsContact O-CG 3.28Å; E28-N32 PolarHBondContact O-N 2.93Å; E28-N32 PolarHBondContact O-ND2 3.42Å
29	N	94.8	Very high	90.2	Very high	92 Å²	92	104.4 Å²	104.4	49%	0.492	50%	0.495	S	S	.	.	H	α-helix	trans	-59.7	-38.2	172.9	-75	-24.6	0	0	0	111.9	L25 Q26 N32 Y33	L25-N29 WeakPolarHBondContact O-CB 3.35Å; L25-N29 PolarHBondContact O-N 3.12Å; L25-N29 PolarHBondContact O-ND2 3.05Å; Q26-N29 PolarHBondContact O-N 3.2Å; N29-N32 PolarHBondContact O-N 3.11Å; N29-Y33 WeakPolarHBondContact O-CB 3.4Å; N29-Y33 PolarHBondContact O-N 2.94Å
30	W	92.2	Very high	88.5	Confident	148 Å²	148	104.6 Å²	104.6	56%	0.561	49%	0.494	S	S	*	.	H	α-helix	trans	-61.7	-50.2	173.9	-173.2	-89.3	0	0	0	112.1	Q26 E28 N32 Y33 E34	Q26-W30 WeakPolarHBondContact O-CB 3.42Å; Q26-W30 PolarHBondContact O-N 3.49Å; E28-W30 VanDerWaalsContact C-N 3.28Å; E28-W30 PolarHBondContact O-N 2.83Å; W30-N32 PolarHBondContact O-N 2.87Å; W30-Y33 WeakPolarHBondContact O-CA 3.16Å; W30-Y33 WeakPolarHBondContact O-CB 3.11Å; W30-Y33 PolarHBondContact O-N 3.39Å; W30-E34 PolarHBondContact NE1-OE1 2.83Å; W30-E34 WeakPolarHBondContact O-CG 3.46Å; W30-E34 PolarHBondContact O-N 3.36Å
31	R	93.3	Very high	86.8	Confident	149 Å²	149	104.4 Å²	104.4	56%	0.562	50%	0.499	S	S	*	.	H	α-helix	trans	-59.6	-32.8	175.1	-68	166.7	-178.4	163.2	-0.9	113.1	L27 E28 E34 R35	L27-R31 WeakPolarHBondContact O-CG 3.39Å; L27-R31 PolarHBondContact O-N 3.5Å; L27-R31 VanDerWaalsContact O-N 3.08Å; E28-R31 PolarHBondContact O-N 3.37Å; R31-E34 WeakPolarHBondContact CA-OE2 3.23Å; R31-R35 VanDerWaalsContact O-CZ 3.3Å; R31-R35 PolarHBondContact O-N 2.93Å; R31-R35 PolarHBondContact O-NE 3.13Å; R31-R35 PolarHBondContact O-NH2 3.41Å
32	N	90.7	Very high	84.9	Confident	48 Å²	48	108.9 Å²	108.9	26%	0.257	51%	0.508	S	S	.	.	H	α-helix	trans	-71.5	-38.7	175.2	-71.1	-26.7	0	0	0	111.4	E28 N29 W30 R35 Q36	E28-N32 VanDerWaalsContact O-CG 3.28Å; E28-N32 PolarHBondContact O-N 2.93Å; E28-N32 PolarHBondContact O-ND2 3.42Å; N29-N32 PolarHBondContact O-N 3.11Å; W30-N32 PolarHBondContact O-N 2.87Å; N32-R35 VanDerWaalsContact OD1-CZ 3.24Å; N32-R35 PolarHBondContact OD1-NH1 3.09Å; N32-R35 PolarHBondContact OD1-NH2 2.94Å; N32-Q36 VanDerWaalsContact O-CG 3.32Å; N32-Q36 WeakPolarHBondContact O-CG 3.22Å; N32-Q36 PolarHBondContact O-N 3.21Å; N32-Q36 VanDerWaalsContact O-N 3.09Å
33	Y	89.5	Confident	82.8	Confident	118 Å²	118	110.4 Å²	110.4	46%	0.463	51%	0.511	S	S	.	.	H	α-helix	trans	-66.2	-46.9	174	176.1	-101.6	0	0	0	112.2	N29 W30 R35 Q36 M37	N29-Y33 WeakPolarHBondContact O-CB 3.4Å; N29-Y33 PolarHBondContact O-N 2.94Å; W30-Y33 WeakPolarHBondContact O-CA 3.16Å; W30-Y33 WeakPolarHBondContact O-CB 3.11Å; W30-Y33 PolarHBondContact O-N 3.39Å; Y33-R35 VanDerWaalsContact C-N 3.32Å; Y33-R35 PolarHBondContact O-N 3.46Å; Y33-Q36 WeakPolarHBondContact O-CA 3.29Å; Y33-Q36 WeakPolarHBondContact O-CB 3.23Å; Y33-Q36 PolarHBondContact O-N 2.88Å; Y33-M37 HydrophobicContact CD1-CG 4.22Å; Y33-M37 HydrophobicContact CD2-CE 4.27Å; Y33-M37 HydrophobicContact CD2-CG 4.48Å; Y33-M37 HydrophobicContact CE1-CG 3.81Å; Y33-M37 HydrophobicContact CE1-SD 4.41Å; Y33-M37 HydrophobicContact CE2-CE 3.76Å; Y33-M37 HydrophobicContact CE2-CG 4.09Å; Y33-M37 HydrophobicContact CE2-SD 3.93Å; Y33-M37 WeakPolarHBondContact O-CG 3.48Å; Y33-M37 PolarHBondContact O-N 2.8Å
34	E	86.9	Confident	80.5	Confident	82 Å²	82	109.1 Å²	109.1	38%	0.383	52%	0.522	S	S	.	.	H	α-helix	trans	-55	-46.7	174.6	-71.1	172.9	144.3	0	0	111.7	W30 R31 Q36 M37 Q38	W30-E34 PolarHBondContact NE1-OE1 2.83Å; W30-E34 WeakPolarHBondContact O-CG 3.46Å; W30-E34 PolarHBondContact O-N 3.36Å; R31-E34 WeakPolarHBondContact CA-OE2 3.23Å; E34-Q36 VanDerWaalsContact C-N 3.3Å; E34-Q36 PolarHBondContact O-N 3.22Å; E34-M37 PolarHBondContact O-N 3.08Å; E34-Q38 WeakPolarHBondContact O-CG 3.37Å; E34-Q38 PolarHBondContact O-N 2.91Å
35	R	88.7	Confident	78.3	Confident	132 Å²	132	110.8 Å²	110.8	50%	0.498	53%	0.527	S	S	.	.	H	α-helix	trans	-64.5	-30	175.4	-84.1	-177.6	-87	103.6	0.3	113.4	R31 N32 Y33 V39	R31-R35 VanDerWaalsContact O-CZ 3.3Å; R31-R35 PolarHBondContact O-N 2.93Å; R31-R35 PolarHBondContact O-NE 3.13Å; R31-R35 PolarHBondContact O-NH2 3.41Å; N32-R35 VanDerWaalsContact OD1-CZ 3.24Å; N32-R35 PolarHBondContact OD1-NH1 3.09Å; N32-R35 PolarHBondContact OD1-NH2 2.94Å; Y33-R35 VanDerWaalsContact C-N 3.32Å; Y33-R35 PolarHBondContact O-N 3.46Å; R35-V39 VanDerWaalsContact O-CG2 3.23Å; R35-V39 WeakPolarHBondContact O-CG2 3.31Å; R35-V39 PolarHBondContact O-N 2.65Å
36	Q	85.7	Confident	75.9	Confident	125 Å²	125	116.6 Å²	116.6	58%	0.584	55%	0.548	S	S	*	.	H	α-helix	trans	-72.2	-44.4	173	-73.4	171.9	25.7	0	0	111.6	N32 Y33 E34 V39 S40	N32-Q36 VanDerWaalsContact O-CG 3.32Å; N32-Q36 WeakPolarHBondContact O-CG 3.22Å; N32-Q36 PolarHBondContact O-N 3.21Å; N32-Q36 VanDerWaalsContact O-N 3.09Å; Y33-Q36 WeakPolarHBondContact O-CA 3.29Å; Y33-Q36 WeakPolarHBondContact O-CB 3.23Å; Y33-Q36 PolarHBondContact O-N 2.88Å; E34-Q36 VanDerWaalsContact C-N 3.3Å; E34-Q36 PolarHBondContact O-N 3.22Å; Q36-V39 PolarHBondContact O-N 3.23Å; Q36-V39 VanDerWaalsContact O-N 3.13Å; Q36-S40 PolarHBondContact O-N 2.9Å; Q36-S40 PolarHBondContact O-OG 3.38Å
37	M	77.8	Confident	73.3	Confident	72 Å²	72	116.9 Å²	116.9	36%	0.355	55%	0.552	S	S	.	*	H	α-helix	trans	-60.1	-49.4	177.8	-64.8	-60.5	96.1	0	0	111.5	Y33 E34 V39 S40 D41	Y33-M37 HydrophobicContact CD1-CG 4.22Å; Y33-M37 HydrophobicContact CD2-CE 4.27Å; Y33-M37 HydrophobicContact CD2-CG 4.48Å; Y33-M37 HydrophobicContact CE1-CG 3.81Å; Y33-M37 HydrophobicContact CE1-SD 4.41Å; Y33-M37 HydrophobicContact CE2-CE 3.76Å; Y33-M37 HydrophobicContact CE2-CG 4.09Å; Y33-M37 HydrophobicContact CE2-SD 3.93Å; Y33-M37 WeakPolarHBondContact O-CG 3.48Å; Y33-M37 PolarHBondContact O-N 2.8Å; E34-M37 PolarHBondContact O-N 3.08Å; M37-V39 PolarHBondContact O-N 3.35Å; M37-V39 VanDerWaalsContact O-N 3.08Å; M37-S40 WeakPolarHBondContact CA-OG 3.39Å; M37-S40 PolarHBondContact O-N 2.98Å; M37-S40 PolarHBondContact O-OG 3.18Å; M37-D41 PolarHBondContact O-N 2.97Å; M37-D41 VanDerWaalsContact O-N 3.13Å
38	Q	73.2	Confident	70.6	Confident	110 Å²	110	123.6 Å²	123.6	51%	0.514	57%	0.572	S	S	.	*	H	α-helix	trans	-61.1	-19.1	176.2	-69.6	178.1	13.8	0	0	114.3	E34 K42	E34-Q38 WeakPolarHBondContact O-CG 3.37Å; E34-Q38 PolarHBondContact O-N 2.91Å; Q38-K42 VanDerWaalsContact O-CD 3.27Å; Q38-K42 WeakPolarHBondContact O-CD 3.28Å; Q38-K42 VanDerWaalsContact O-CG 3.31Å; Q38-K42 WeakPolarHBondContact O-CG 3.33Å
39	V	68.1	Low	67.9	Low	81 Å²	81	125.1 Å²	125.1	49%	0.491	59%	0.59	S	S	.	*	H	α-helix	trans	-91	-34	174.7	168.6	0	0	0	0	111.5	R35 Q36 M37 D41 K42 H43	R35-V39 VanDerWaalsContact O-CG2 3.23Å; R35-V39 WeakPolarHBondContact O-CG2 3.31Å; R35-V39 PolarHBondContact O-N 2.65Å; Q36-V39 PolarHBondContact O-N 3.23Å; Q36-V39 VanDerWaalsContact O-N 3.13Å; M37-V39 PolarHBondContact O-N 3.35Å; M37-V39 VanDerWaalsContact O-N 3.08Å; V39-D41 VanDerWaalsContact C-N 3.31Å; V39-D41 PolarHBondContact O-N 2.9Å; V39-K42 PolarHBondContact O-N 2.98Å; V39-H43 PolarHBondContact O-N 2.92Å
40	S	58.6	Low	65.3	Low	63 Å²	63	127.7 Å²	127.7	44%	0.441	60%	0.599	S	S	.	*	H	α-helix	trans	-62.3	-37.7	171.4	36.4	0	0	0	0	112.6	Q36 M37 K42 H43	Q36-S40 PolarHBondContact O-N 2.9Å; Q36-S40 PolarHBondContact O-OG 3.38Å; M37-S40 WeakPolarHBondContact CA-OG 3.39Å; M37-S40 PolarHBondContact O-N 2.98Å; M37-S40 PolarHBondContact O-OG 3.18Å; S40-K42 VanDerWaalsContact C-N 3.28Å; S40-K42 PolarHBondContact O-N 2.91Å; S40-H43 PolarHBondContact O-N 3.4Å
41	D	58	Low	63.1	Low	134 Å²	134	129.2 Å²	129.2	72%	0.717	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-30	176.6	-61	-31.2	0	0	0	112.4	M37 V39 H43	M37-D41 PolarHBondContact O-N 2.97Å; M37-D41 VanDerWaalsContact O-N 3.13Å; V39-D41 VanDerWaalsContact C-N 3.31Å; V39-D41 PolarHBondContact O-N 2.9Å; D41-H43 VanDerWaalsContact C-N 3.28Å; D41-H43 PolarHBondContact O-N 3.05Å
42	K	56.6	Low	61	Low	149 Å²	149	126.8 Å²	126.8	65%	0.648	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-2	176.8	-69.4	173.4	-173	171.5	0	113.8	Q38 V39 S40 P44	Q38-K42 VanDerWaalsContact O-CD 3.27Å; Q38-K42 WeakPolarHBondContact O-CD 3.28Å; Q38-K42 VanDerWaalsContact O-CG 3.31Å; Q38-K42 WeakPolarHBondContact O-CG 3.33Å; V39-K42 PolarHBondContact O-N 2.98Å; S40-K42 VanDerWaalsContact C-N 3.28Å; S40-K42 PolarHBondContact O-N 2.91Å; K42-P44 WeakPolarHBondContact O-CD 3.45Å
43	H	51.5	Low	59.2	Low	142 Å²	142	133.1 Å²	133.1	66%	0.657	65%	0.649	S	S	*	*	S	Bend	trans	-122.8	83.8	176.7	-82.9	5.1	0	0	0	110.4	V39 S40 D41 K45	V39-H43 PolarHBondContact O-N 2.92Å; S40-H43 PolarHBondContact O-N 3.4Å; D41-H43 VanDerWaalsContact C-N 3.28Å; D41-H43 PolarHBondContact O-N 3.05Å; H43-K45 VanDerWaalsContact C-N 3.3Å; H43-K45 PolarHBondContact O-N 2.86Å
44	P	46.6	Very low	57.3	Low	117 Å²	117	131 Å²	131	76%	0.76	65%	0.65	S	S	*	*			trans	-64	93.2	173.5	27.8	-34.7	0	0	0	109.8	K42 K46	K42-P44 WeakPolarHBondContact O-CD 3.45Å; P44-K46 PolarHBondContact O-N 3.42Å
45	K	50.2	Low	56.3	Low	178 Å²	178	134.3 Å²	134.3	77%	0.774	67%	0.67	S	S	*	*			trans	-48	141.1	154.2	-68.6	176.4	-178.8	171.8	0	106.6	H43 I47	H43-K45 VanDerWaalsContact C-N 3.3Å; H43-K45 PolarHBondContact O-N 2.86Å; K45-I47 HydrophobicContact CB-CD1 4.41Å; K45-I47 HydrophobicContact CB-CG1 4.09Å; K45-I47 PolarHBondContact O-N 2.84Å
46	K	44.6	Very low	55.8	Low	219 Å²	219	134.8 Å²	134.8	95%	0.952	68%	0.682	S	S	*	*			trans	-70.8	64.1	-178.6	-68.4	-175	178.4	-179.4	0	111.8	P44	P44-K46 PolarHBondContact O-N 3.42Å
47	I	41.2	Very low	55.8	Low	113 Å²	113	134.1 Å²	134.1	58%	0.579	69%	0.687	S	S	*	*			trans	-77.9	136.2	171.5	-49.5	171.4	0	0	0	106.2	K45 H50	K45-I47 HydrophobicContact CB-CD1 4.41Å; K45-I47 HydrophobicContact CB-CG1 4.09Å; K45-I47 PolarHBondContact O-N 2.84Å; I47-H50 WeakPolarHBondContact CG2-CD2 3.47Å; I47-H50 WeakPolarHBondContact CG2-NE2 3.48Å
48	R	38.8	Very low	56.2	Low	221 Å²	221	137.9 Å²	137.9	83%	0.834	70%	0.701	S	S	*	*			trans	-56	154.6	174.9	-63.1	176.1	-177.2	-175.8	-0.5	108.9	H50	R48-H50 VanDerWaalsContact C-N 3.35Å; R48-H50 PolarHBondContact O-N 3.07Å
49	P	38.1	Very low	57.1	Low	134 Å²	134	140 Å²	140	87%	0.87	71%	0.709	S	S	*	*			trans	-56.9	98.9	-180	24	-34.8	0	0	0	110
50	H	42.1	Very low	58.3	Low	147 Å²	147	140.4 Å²	140.4	68%	0.681	71%	0.712	S	S	*	*			trans	-61.8	139.5	164.1	-82.7	-79.8	0	0	0	106.4	I47 R48 A52	I47-H50 WeakPolarHBondContact CG2-CD2 3.47Å; I47-H50 WeakPolarHBondContact CG2-NE2 3.48Å; R48-H50 VanDerWaalsContact C-N 3.35Å; R48-H50 PolarHBondContact O-N 3.07Å; H50-A52 PolarHBondContact O-N 3.25Å; H50-A52 VanDerWaalsContact O-N 3.14Å
51	K	45.9	Very low	59.8	Low	180 Å²	180	141.7 Å²	141.7	78%	0.783	71%	0.713	S	S	*	*			trans	-43.6	126.1	167.2	-64.8	177.8	173.8	-174.4	0	107.4	H53	K51-H53 PolarHBondContact O-N 3.5Å
52	A	48.4	Very low	61.1	Low	97 Å²	97	138.7 Å²	138.7	80%	0.802	70%	0.697	S	S	*	*	S	Bend	trans	-45.4	126.7	177.3	0	0	0	0	0	108.2	H50 C54	H50-A52 PolarHBondContact O-N 3.25Å; H50-A52 VanDerWaalsContact O-N 3.14Å; A52-C54 PolarHBondContact O-N 2.88Å
53	H	52.1	Low	62.7	Low	182 Å²	182	134.8 Å²	134.8	84%	0.843	69%	0.688	S	S	*	*			trans	-42.9	99.9	-159.3	-101.5	-95.8	0	0	0	111	K51 L55	K51-H53 PolarHBondContact O-N 3.5Å; H53-L55 PolarHBondContact O-N 3.28Å
54	C	49.9	Very low	64.8	Low	73 Å²	73	129.8 Å²	129.8	49%	0.493	67%	0.667	S	S	.	*			trans	-70.3	112.4	-177.2	49.5	0	0	0	0	106.7	A52 N56	A52-C54 PolarHBondContact O-N 2.88Å; C54-N56 PolarHBondContact O-N 3.16Å; C54-N56 PolarHBondContact O-OD1 2.92Å; C54-N56 PolarHBondContact SG-OD1 3.25Å
55	L	65.6	Low	67.1	Low	151 Å²	151	124.2 Å²	124.2	79%	0.791	63%	0.631	S	S	*	*			trans	-67.7	83.5	174.6	-63.6	176.8	0	0	0	107.1	H53 V57	H53-L55 PolarHBondContact O-N 3.28Å; L55-V57 PolarHBondContact O-N 2.89Å
56	N	78.1	Confident	69.2	Low	143 Å²	143	117.3 Å²	117.3	77%	0.765	60%	0.603	S	S	*	*			trans	-70	-9.1	-178.2	-66.6	-16.4	0	0	0	112.2	C54	C54-N56 PolarHBondContact O-N 3.16Å; C54-N56 PolarHBondContact O-OD1 2.92Å; C54-N56 PolarHBondContact SG-OD1 3.25Å
57	V	86.8	Confident	71.6	Confident	111 Å²	111	110.7 Å²	110.7	67%	0.673	58%	0.578	S	S	*	*			trans	-102.1	118.4	167.4	-176.8	0	0	0	0	106.8	L55	L55-V57 PolarHBondContact O-N 2.89Å
58	K	86.7	Confident	74.2	Confident	151 Å²	151	105.3 Å²	105.3	66%	0.657	55%	0.55	S	S	*	*			trans	-112.9	154.9	163.2	-64.7	-177.8	177.1	-175.2	0	107.9	E531	K58-E531 IonicContact NZ-OE1 3.26Å; K58-E531 PolarHBondContact NZ-OE1 3.44Å
59	F	91.5	Very high	76.9	Confident	154 Å²	154	94.9 Å²	94.9	68%	0.675	51%	0.511	S	S	*	.			trans	-96.7	167.1	160.6	-60.8	-77.9	0	0	0	109.6	C63 V64	F59-C63 HydrophobicContact CB-CB 4.2Å; F59-V64 HydrophobicContact CB-CG2 3.79Å
60	T	93.2	Very high	79.6	Confident	90 Å²	90	93.6 Å²	93.6	55%	0.552	50%	0.496	S	S	*	.			trans	-73.3	149.4	171.8	40.9	0	0	0	0	110.8	N62 C63 V64	T60-N62 PolarHBondContact O-N 3.26Å; T60-N62 VanDerWaalsContact O-N 3.15Å; T60-C63 WeakPolarHBondContact O-CB 3.33Å; T60-C63 PolarHBondContact O-N 3.29Å; T60-C63 PolarHBondContact OG1-SG 3.2Å; T60-V64 PolarHBondContact O-N 3.46Å
61	D	90.4	Very high	82.1	Confident	89 Å²	89	92.2 Å²	92.2	48%	0.476	49%	0.485	S	S	.	.	H	α-helix	trans	-53.8	-38.9	-173.8	-56.3	-10.1	0	0	0	112.8	C63 V64 L65 I85 I89	D61-C63 PolarHBondContact O-N 3.43Å; D61-V64 PolarHBondContact O-N 3.37Å; D61-L65 PolarHBondContact O-N 2.97Å; D61-I85 HydrophobicContact CB-CD1 4.05Å; D61-I85 HydrophobicContact CB-CG1 4.19Å; D61-I85 HydrophobicContact CB-CG2 4.06Å; D61-I89 HydrophobicContact CB-CD1 4.19Å
62	N	85.5	Confident	84.4	Confident	71 Å²	71	85.3 Å²	85.3	38%	0.38	47%	0.465	S	S	.	.	H	α-helix	trans	-54.2	-49.4	171.9	-48.4	47.3	0	0	0	112.5	T60 V64 L66 I89 S90	T60-N62 PolarHBondContact O-N 3.26Å; T60-N62 VanDerWaalsContact O-N 3.15Å; N62-V64 VanDerWaalsContact C-N 3.29Å; N62-V64 PolarHBondContact O-N 2.58Å; N62-L66 HydrophobicContact CB-CD1 4.43Å; N62-L66 WeakPolarHBondContact O-CB 3.42Å; N62-L66 WeakPolarHBondContact O-CD1 3.42Å; N62-L66 WeakPolarHBondContact O-CG 3.5Å; N62-L66 PolarHBondContact O-N 2.81Å; N62-I89 VanDerWaalsContact CA-CG2 3.49Å; N62-I89 HydrophobicContact CB-CG2 3.49Å; N62-I89 VanDerWaalsContact CB-CG2 3.49Å; N62-I89 VanDerWaalsContact ND2-CG2 3.26Å; N62-I89 WeakPolarHBondContact ND2-CG2 3.24Å; N62-S90 PolarHBondContact ND2-O 2.92Å
63	C	90.5	Very high	86.7	Confident	68 Å²	68	83.6 Å²	83.6	46%	0.459	44%	0.442	S	S	.	.	H	α-helix	trans	-67.4	-33.3	-177.1	-63.8	0	0	0	0	111.5	F59 T60 D61 D67	F59-C63 HydrophobicContact CB-CB 4.2Å; T60-C63 WeakPolarHBondContact O-CB 3.33Å; T60-C63 PolarHBondContact O-N 3.29Å; T60-C63 PolarHBondContact OG1-SG 3.2Å; D61-C63 PolarHBondContact O-N 3.43Å; C63-D67 WeakPolarHBondContact O-CB 3.06Å; C63-D67 PolarHBondContact O-N 2.99Å
64	V	94.3	Very high	88.7	Confident	36 Å²	36	76.5 Å²	76.5	22%	0.218	41%	0.413	C	S	.	.	H	α-helix	trans	-77.4	-47.8	-179.1	-170.7	0	0	0	0	111.2	F59 T60 D61 N62 A68 L80	F59-V64 HydrophobicContact CB-CG2 3.79Å; T60-V64 PolarHBondContact O-N 3.46Å; D61-V64 PolarHBondContact O-N 3.37Å; N62-V64 VanDerWaalsContact C-N 3.29Å; N62-V64 PolarHBondContact O-N 2.58Å; V64-A68 WeakPolarHBondContact O-CB 3.38Å; V64-A68 PolarHBondContact O-N 3.16Å; V64-L80 HydrophobicContact CB-CD2 4.46Å; V64-L80 HydrophobicContact CG1-CD1 3.81Å; V64-L80 HydrophobicContact CG1-CD2 3.56Å; V64-L80 HydrophobicContact CG1-CG 4.35Å
65	L	95.5	Very high	90.9	Very high	0 Å²	0	81 Å²	81	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-66.8	-43.2	-179.7	-179.5	63.9	0	0	0	112.1	D61 T69 V77 L80 L81 I85 A97	D61-L65 PolarHBondContact O-N 2.97Å; L65-T69 WeakPolarHBondContact O-CB 3.47Å; L65-T69 PolarHBondContact O-N 3.01Å; L65-T69 PolarHBondContact O-OG1 3.28Å; L65-V77 HydrophobicContact CD1-CG1 4.05Å; L65-V77 HydrophobicContact CD1-CG2 4.38Å; L65-L80 HydrophobicContact CD1-CB 4.49Å; L65-L80 HydrophobicContact CD1-CD1 4.4Å; L65-L81 HydrophobicContact CD1-CD2 4.03Å; L65-L81 HydrophobicContact CD1-CG 4.23Å; L65-L81 HydrophobicContact CD2-CD2 4.1Å; L65-I85 HydrophobicContact CB-CG2 4.2Å; L65-I85 HydrophobicContact CD2-CG2 4Å; L65-A97 HydrophobicContact CD2-CB 4.48Å; L65-A97 HydrophobicContact CG-CB 4.44Å
66	L	94.6	Very high	92.4	Very high	34 Å²	34	76.8 Å²	76.8	18%	0.178	40%	0.403	C	S	.	.	H	α-helix	trans	-70.8	-36.2	-178.5	-62.8	171.1	0	0	0	112	N62 T69 L70 N91 A97	N62-L66 HydrophobicContact CB-CD1 4.43Å; N62-L66 WeakPolarHBondContact O-CB 3.42Å; N62-L66 WeakPolarHBondContact O-CD1 3.42Å; N62-L66 WeakPolarHBondContact O-CG 3.5Å; N62-L66 PolarHBondContact O-N 2.81Å; L66-T69 PolarHBondContact O-N 3.49Å; L66-L70 VanDerWaalsContact O-CB 3.26Å; L66-L70 WeakPolarHBondContact O-CB 3.31Å; L66-L70 PolarHBondContact O-N 3.11Å; L66-N91 HydrophobicContact CD1-CB 4.1Å; L66-A97 HydrophobicContact CD2-CB 4.18Å
67	D	94.9	Very high	93.3	Very high	80 Å²	80	70 Å²	70	43%	0.428	37%	0.367	S	S	.	.	H	α-helix	trans	-68.1	-42.6	174.1	179.2	84.7	0	0	0	112.3	C63 T69 L70 R71	C63-D67 WeakPolarHBondContact O-CB 3.06Å; C63-D67 PolarHBondContact O-N 2.99Å; D67-T69 VanDerWaalsContact C-N 3.32Å; D67-T69 PolarHBondContact O-N 3.34Å; D67-L70 PolarHBondContact O-N 2.98Å; D67-R71 WeakPolarHBondContact O-CB 3.3Å; D67-R71 WeakPolarHBondContact O-CG 3.44Å; D67-R71 PolarHBondContact O-N 2.96Å; D67-R71 PolarHBondContact O-NE 3.27Å; D67-R71 IonicContact OD2-CZ 3.12Å; D67-R71 IonicContact OD2-NE 2.77Å; D67-R71 PolarHBondContact OD2-NE 2.77Å; D67-R71 IonicContact OD2-NH2 3.53Å; D67-R71 PolarHBondContact OD2-NH2 3.12Å
68	A	95.6	Very high	93.8	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-62.7	-39.3	174	0	0	0	0	0	112	V64 R71 G72 D73 E76 V77 L80	V64-A68 WeakPolarHBondContact O-CB 3.38Å; V64-A68 PolarHBondContact O-N 3.16Å; A68-R71 PolarHBondContact O-N 3.23Å; A68-G72 PolarHBondContact O-N 2.95Å; A68-D73 PolarHBondContact O-N 3.22Å; A68-E76 HydrophobicContact CB-CB 4.22Å; A68-E76 HydrophobicContact CB-CG 4.04Å; A68-V77 HydrophobicContact CB-CG2 3.72Å; A68-L80 HydrophobicContact CB-CD1 3.86Å
69	T	95.9	Very high	94.3	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.006	35%	0.346	C	S	.	.	H	α-helix	trans	-63.5	-49.6	174.1	-56.7	0	0	0	0	111.3	L65 L66 D67 R71 G72 A97 Q100 L109	L65-T69 WeakPolarHBondContact O-CB 3.47Å; L65-T69 PolarHBondContact O-N 3.01Å; L65-T69 PolarHBondContact O-OG1 3.28Å; L66-T69 PolarHBondContact O-N 3.49Å; D67-T69 VanDerWaalsContact C-N 3.32Å; D67-T69 PolarHBondContact O-N 3.34Å; T69-R71 PolarHBondContact O-N 2.98Å; T69-G72 PolarHBondContact O-N 3.17Å; T69-A97 HydrophobicContact CG2-CB 3.92Å; T69-A97 WeakPolarHBondContact CG2-O 3.43Å; T69-A97 WeakPolarHBondContact OG1-CB 3.33Å; T69-Q100 HydrophobicContact CG2-CB 4.13Å; T69-Q100 HydrophobicContact CG2-CG 4.32Å; T69-L109 HydrophobicContact CG2-CD2 3.75Å; T69-L109 HydrophobicContact CG2-CG 4.41Å
70	L	94.3	Very high	94.5	Very high	107 Å²	107	60.9 Å²	60.9	56%	0.56	32%	0.318	S	S	*	.	H	α-helix	trans	-63.3	-23.7	179.4	-175.6	65.3	0	0	0	113.2	L66 D67 Q100	L66-L70 VanDerWaalsContact O-CB 3.26Å; L66-L70 WeakPolarHBondContact O-CB 3.31Å; L66-L70 PolarHBondContact O-N 3.11Å; D67-L70 PolarHBondContact O-N 2.98Å; L70-Q100 HydrophobicContact CD1-CG 4.27Å
71	R	94.7	Very high	94.6	Very high	119 Å²	119	57.1 Å²	57.1	45%	0.449	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-9.1	171.9	-76.4	-174.8	-78.1	110.6	-6.8	114.3	D67 A68 T69 D73 E76	D67-R71 WeakPolarHBondContact O-CB 3.3Å; D67-R71 WeakPolarHBondContact O-CG 3.44Å; D67-R71 PolarHBondContact O-N 2.96Å; D67-R71 PolarHBondContact O-NE 3.27Å; D67-R71 IonicContact OD2-CZ 3.12Å; D67-R71 IonicContact OD2-NE 2.77Å; D67-R71 PolarHBondContact OD2-NE 2.77Å; D67-R71 IonicContact OD2-NH2 3.53Å; D67-R71 PolarHBondContact OD2-NH2 3.12Å; A68-R71 PolarHBondContact O-N 3.23Å; T69-R71 PolarHBondContact O-N 2.98Å; R71-D73 HydrophobicContact CB-CB 4.36Å; R71-D73 IonicContact NH1-OD2 3.66Å; R71-D73 PolarHBondContact NH1-OD2 3.35Å; R71-D73 PolarHBondContact O-N 3.32Å; R71-E76 IonicContact CZ-OE2 3.78Å; R71-E76 IonicContact NH1-OE2 2.67Å; R71-E76 PolarHBondContact NH1-OE2 3.37Å; R71-E76 IonicContact NH2-OE1 3.2Å; R71-E76 IonicContact NH2-OE2 3.09Å; R71-E76 PolarHBondContact NH2-OE2 3.37Å
72	G	93.7	Very high	94.9	Very high	35 Å²	35	56 Å²	56	36%	0.361	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	20.1	-170.5	0	0	0	0	0	113.6	A68 T69 C74	A68-G72 PolarHBondContact O-N 2.95Å; T69-G72 PolarHBondContact O-N 3.17Å; G72-C74 VanDerWaalsContact C-N 3.33Å; G72-C74 PolarHBondContact O-N 3.35Å
73	D	95.8	Very high	95.4	Very high	60 Å²	60	57.5 Å²	57.5	32%	0.321	30%	0.298	S	S	.	.			trans	-80.8	78.9	-173.7	-161	-35.8	0	0	0	110.9	A68 R71 E75 E76 V77	A68-D73 PolarHBondContact O-N 3.22Å; R71-D73 HydrophobicContact CB-CB 4.36Å; R71-D73 IonicContact NH1-OD2 3.66Å; R71-D73 PolarHBondContact NH1-OD2 3.35Å; R71-D73 PolarHBondContact O-N 3.32Å; D73-E75 PolarHBondContact O-N 3.47Å; D73-E75 PolarHBondContact OD1-N 3.39Å; D73-E76 HydrophobicContact CB-CB 4.08Å; D73-E76 PolarHBondContact O-N 3.39Å; D73-E76 WeakPolarHBondContact OD1-CB 3.16Å; D73-E76 PolarHBondContact OD1-N 3.24Å; D73-V77 WeakPolarHBondContact O-CB 3.25Å; D73-V77 WeakPolarHBondContact O-CG2 3.43Å; D73-V77 PolarHBondContact O-N 3.27Å
74	C	95.5	Very high	95.5	Very high	34 Å²	34	57.5 Å²	57.5	23%	0.23	31%	0.309	C	S	.	.	H	α-helix	trans	-59.5	-30.1	-179	-71.7	0	0	0	0	113.3	G72 E78 L112	G72-C74 VanDerWaalsContact C-N 3.33Å; G72-C74 PolarHBondContact O-N 3.35Å; C74-E78 WeakPolarHBondContact O-CB 3.35Å; C74-E78 PolarHBondContact O-N 3.03Å; C74-L112 HydrophobicContact CB-CD2 4.31Å; C74-L112 WeakPolarHBondContact O-CD2 3.42Å
75	E	96.1	Very high	95.5	Very high	167 Å²	167	57 Å²	57	78%	0.78	31%	0.305	S	S	*	.	H	α-helix	trans	-72.4	-43.9	177.8	-67.3	-172.3	-164.7	0	0	110.9	D73 Y79	D73-E75 PolarHBondContact O-N 3.47Å; D73-E75 PolarHBondContact OD1-N 3.39Å; E75-Y79 WeakPolarHBondContact O-CB 3.22Å; E75-Y79 PolarHBondContact O-N 2.96Å
76	E	96.2	Very high	95.5	Very high	63 Å²	63	60.8 Å²	60.8	29%	0.294	33%	0.325	S	S	.	.	H	α-helix	trans	-67.1	-41	174	-169.6	172.9	-156.9	0	0	111.5	A68 R71 D73 Y79 L80	A68-E76 HydrophobicContact CB-CB 4.22Å; A68-E76 HydrophobicContact CB-CG 4.04Å; R71-E76 IonicContact CZ-OE2 3.78Å; R71-E76 IonicContact NH1-OE2 2.67Å; R71-E76 PolarHBondContact NH1-OE2 3.37Å; R71-E76 IonicContact NH2-OE1 3.2Å; R71-E76 IonicContact NH2-OE2 3.09Å; R71-E76 PolarHBondContact NH2-OE2 3.37Å; D73-E76 HydrophobicContact CB-CB 4.08Å; D73-E76 PolarHBondContact O-N 3.39Å; D73-E76 WeakPolarHBondContact OD1-CB 3.16Å; D73-E76 PolarHBondContact OD1-N 3.24Å; E76-Y79 WeakPolarHBondContact O-CB 3.43Å; E76-Y79 PolarHBondContact O-N 3.46Å; E76-L80 HydrophobicContact CG-CD1 3.93Å; E76-L80 HydrophobicContact CG-CG 4.22Å; E76-L80 WeakPolarHBondContact O-CB 3.23Å; E76-L80 WeakPolarHBondContact O-CG 3.42Å; E76-L80 PolarHBondContact O-N 3.44Å
77	V	97.2	Very high	95.6	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.4	-43.5	176.5	173	0	0	0	0	111.8	L65 A68 D73 Y79 L80 L81 L109 L112 L113	L65-V77 HydrophobicContact CD1-CG1 4.05Å; L65-V77 HydrophobicContact CD1-CG2 4.38Å; A68-V77 HydrophobicContact CB-CG2 3.72Å; D73-V77 WeakPolarHBondContact O-CB 3.25Å; D73-V77 WeakPolarHBondContact O-CG2 3.43Å; D73-V77 PolarHBondContact O-N 3.27Å; V77-Y79 VanDerWaalsContact C-N 3.32Å; V77-Y79 PolarHBondContact O-N 3.21Å; V77-L80 PolarHBondContact O-N 2.89Å; V77-L81 HydrophobicContact CG1-CD1 3.59Å; V77-L81 HydrophobicContact CG1-CG 4.21Å; V77-L81 WeakPolarHBondContact O-CB 3.45Å; V77-L81 VanDerWaalsContact O-CG 3.23Å; V77-L81 WeakPolarHBondContact O-CG 3.4Å; V77-L81 PolarHBondContact O-N 2.97Å; V77-L109 HydrophobicContact CB-CD1 4.09Å; V77-L109 HydrophobicContact CG1-CD1 3.85Å; V77-L109 HydrophobicContact CG2-CD1 4.08Å; V77-L112 HydrophobicContact CB-CD2 4.08Å; V77-L112 HydrophobicContact CG1-CD2 3.81Å; V77-L112 HydrophobicContact CG1-CG 4.47Å; V77-L113 HydrophobicContact CG1-CD2 4.31Å
78	E	97.4	Very high	95.6	Very high	100 Å²	100	58.7 Å²	58.7	47%	0.467	32%	0.315	S	S	.	.	H	α-helix	trans	-63.5	-38.7	175	-172.4	170	-124.2	0	0	111.5	C74 S82 L112 Y116	C74-E78 WeakPolarHBondContact O-CB 3.35Å; C74-E78 PolarHBondContact O-N 3.03Å; E78-S82 VanDerWaalsContact O-CB 3.22Å; E78-S82 WeakPolarHBondContact O-CB 3.39Å; E78-S82 PolarHBondContact O-N 3.48Å; E78-S82 PolarHBondContact O-OG 2.62Å; E78-L112 HydrophobicContact CB-CD1 3.93Å; E78-L112 HydrophobicContact CB-CD2 4.11Å; E78-L112 HydrophobicContact CG-CD1 4.01Å; E78-Y116 HydrophobicContact CG-CE2 4.06Å
79	Y	96.6	Very high	95.5	Very high	109 Å²	109	59.8 Å²	59.8	43%	0.427	32%	0.321	S	S	.	.	H	α-helix	trans	-62	-48.7	173.7	179.6	-92.9	0	0	0	112.2	E75 E76 V77 S82 H83 Y526	E75-Y79 WeakPolarHBondContact O-CB 3.22Å; E75-Y79 PolarHBondContact O-N 2.96Å; E76-Y79 WeakPolarHBondContact O-CB 3.43Å; E76-Y79 PolarHBondContact O-N 3.46Å; V77-Y79 VanDerWaalsContact C-N 3.32Å; V77-Y79 PolarHBondContact O-N 3.21Å; Y79-S82 WeakPolarHBondContact CA-OG 3.16Å; Y79-S82 PolarHBondContact O-N 3.44Å; Y79-S82 PolarHBondContact O-OG 2.94Å; Y79-H83 AromaticContact CD2-CE1 3.6Å; Y79-H83 AromaticContact CD2-ND1 3.91Å; Y79-H83 AromaticContact CE2-CE1 3.14Å; Y79-H83 WeakPolarHBondContact CE2-CE1 3.31Å; Y79-H83 AromaticContact CE2-ND1 3.74Å; Y79-H83 AromaticContact CE2-NE2 3.75Å; Y79-H83 AromaticContact CZ-CE1 3.45Å; Y79-H83 VanDerWaalsContact CZ-CE1 3.45Å; Y79-H83 AromaticContact CZ-ND1 3.8Å; Y79-H83 AromaticContact CZ-NE2 3.73Å; Y79-H83 PolarHBondContact O-N 3.07Å; Y79-H83 PolarHBondContact O-ND1 3.45Å; Y79-Y526 PolarHBondContact OH-OH 3Å
80	L	95.8	Very high	95.4	Very high	16 Å²	16	61.8 Å²	61.8	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-62.5	-47.3	-178.7	-70.4	167.3	0	0	0	112	V64 L65 A68 E76 V77 H83 G84 I85	V64-L80 HydrophobicContact CB-CD2 4.46Å; V64-L80 HydrophobicContact CG1-CD1 3.81Å; V64-L80 HydrophobicContact CG1-CD2 3.56Å; V64-L80 HydrophobicContact CG1-CG 4.35Å; L65-L80 HydrophobicContact CD1-CB 4.49Å; L65-L80 HydrophobicContact CD1-CD1 4.4Å; A68-L80 HydrophobicContact CB-CD1 3.86Å; E76-L80 HydrophobicContact CG-CD1 3.93Å; E76-L80 HydrophobicContact CG-CG 4.22Å; E76-L80 WeakPolarHBondContact O-CB 3.23Å; E76-L80 WeakPolarHBondContact O-CG 3.42Å; E76-L80 PolarHBondContact O-N 3.44Å; V77-L80 PolarHBondContact O-N 2.89Å; L80-H83 PolarHBondContact O-N 3.41Å; L80-G84 PolarHBondContact O-N 2.98Å; L80-I85 HydrophobicContact CB-CD1 4.13Å; L80-I85 HydrophobicContact CD2-CD1 3.74Å; L80-I85 HydrophobicContact CG-CD1 4.48Å; L80-I85 PolarHBondContact O-N 3.12Å
81	L	96.5	Very high	95.4	Very high	10 Å²	10	59.4 Å²	59.4	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-68.4	-37.7	-179.6	-63.1	171.9	0	0	0	111.7	L65 V77 H83 G84 I85 P87 L113 Y116	L65-L81 HydrophobicContact CD1-CD2 4.03Å; L65-L81 HydrophobicContact CD1-CG 4.23Å; L65-L81 HydrophobicContact CD2-CD2 4.1Å; V77-L81 HydrophobicContact CG1-CD1 3.59Å; V77-L81 HydrophobicContact CG1-CG 4.21Å; V77-L81 WeakPolarHBondContact O-CB 3.45Å; V77-L81 VanDerWaalsContact O-CG 3.23Å; V77-L81 WeakPolarHBondContact O-CG 3.4Å; V77-L81 PolarHBondContact O-N 2.97Å; L81-H83 PolarHBondContact O-N 2.98Å; L81-G84 PolarHBondContact O-N 3.01Å; L81-I85 WeakPolarHBondContact CD2-O 3.41Å; L81-P87 HydrophobicContact CD2-CB 3.75Å; L81-P87 HydrophobicContact CD2-CG 4.44Å; L81-L113 HydrophobicContact CD1-CD2 3.97Å; L81-Y116 HydrophobicContact CB-CD1 3.52Å; L81-Y116 HydrophobicContact CB-CD2 4.25Å; L81-Y116 HydrophobicContact CB-CE1 4Å; L81-Y116 HydrophobicContact CB-CG 3.66Å; L81-Y116 HydrophobicContact CD1-CD2 4.15Å; L81-Y116 HydrophobicContact CD1-CG 3.97Å; L81-Y116 HydrophobicContact CG-CG 4.42Å
82	S	96.8	Very high	95.2	Very high	66 Å²	66	59.6 Å²	59.6	46%	0.462	34%	0.337	S	S	.	.	H	α-helix	trans	-68.5	-15.7	174	61.2	0	0	0	0	114.3	E78 Y79	E78-S82 VanDerWaalsContact O-CB 3.22Å; E78-S82 WeakPolarHBondContact O-CB 3.39Å; E78-S82 PolarHBondContact O-N 3.48Å; E78-S82 PolarHBondContact O-OG 2.62Å; Y79-S82 WeakPolarHBondContact CA-OG 3.16Å; Y79-S82 PolarHBondContact O-N 3.44Å; Y79-S82 PolarHBondContact O-OG 2.94Å
83	H	94.5	Very high	95	Very high	102 Å²	102	62 Å²	62	47%	0.472	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	4	171.4	-72.4	70.5	0	0	0	113.7	Y79 L80 L81	Y79-H83 AromaticContact CD2-CE1 3.6Å; Y79-H83 AromaticContact CD2-ND1 3.91Å; Y79-H83 AromaticContact CE2-CE1 3.14Å; Y79-H83 WeakPolarHBondContact CE2-CE1 3.31Å; Y79-H83 AromaticContact CE2-ND1 3.74Å; Y79-H83 AromaticContact CE2-NE2 3.75Å; Y79-H83 AromaticContact CZ-CE1 3.45Å; Y79-H83 VanDerWaalsContact CZ-CE1 3.45Å; Y79-H83 AromaticContact CZ-ND1 3.8Å; Y79-H83 AromaticContact CZ-NE2 3.73Å; Y79-H83 PolarHBondContact O-N 3.07Å; Y79-H83 PolarHBondContact O-ND1 3.45Å; L80-H83 PolarHBondContact O-N 3.41Å; L81-H83 PolarHBondContact O-N 2.98Å
84	G	92.9	Very high	94.9	Very high	68 Å²	68	60 Å²	60	70%	0.701	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.1	17.7	169.8	0	0	0	0	0	115.6	L80 L81	L80-G84 PolarHBondContact O-N 2.98Å; L81-G84 PolarHBondContact O-N 3.01Å
85	I	94.9	Very high	94.9	Very high	25 Å²	25	60.4 Å²	60.4	13%	0.128	33%	0.334	C	S	.	.			trans	-69.8	136.9	166.2	-65.5	-179.2	0	0	0	109.1	D61 L65 L80 L81 I89	D61-I85 HydrophobicContact CB-CD1 4.05Å; D61-I85 HydrophobicContact CB-CG1 4.19Å; D61-I85 HydrophobicContact CB-CG2 4.06Å; L65-I85 HydrophobicContact CB-CG2 4.2Å; L65-I85 HydrophobicContact CD2-CG2 4Å; L80-I85 HydrophobicContact CB-CD1 4.13Å; L80-I85 HydrophobicContact CD2-CD1 3.74Å; L80-I85 HydrophobicContact CG-CD1 4.48Å; L80-I85 PolarHBondContact O-N 3.12Å; L81-I85 WeakPolarHBondContact CD2-O 3.41Å; I85-I89 HydrophobicContact CG2-CD1 3.69Å
86	D	95.5	Very high	94.9	Very high	81 Å²	81	52.9 Å²	52.9	43%	0.433	30%	0.299	S	S	.	.			trans	-72.6	121.3	-178.3	179.5	6.1	0	0	0	111.3	N88 I89	D86-N88 PolarHBondContact O-N 2.98Å; D86-N88 VanDerWaalsContact O-N 3.16Å; D86-N88 VanDerWaalsContact OD1-CB 3.29Å; D86-N88 WeakPolarHBondContact OD1-CB 3.19Å; D86-N88 PolarHBondContact OD1-N 2.93Å; D86-N88 PolarHBondContact OD1-ND2 3.37Å; D86-I89 HydrophobicContact CB-CD1 4.12Å; D86-I89 HydrophobicContact CB-CG1 4.03Å; D86-I89 VanDerWaalsContact O-CD1 3.29Å; D86-I89 WeakPolarHBondContact O-CD1 3.49Å; D86-I89 VanDerWaalsContact O-CG1 3.22Å; D86-I89 WeakPolarHBondContact O-CG1 3.5Å; D86-I89 PolarHBondContact O-N 2.92Å
87	P	95.8	Very high	94.9	Very high	11 Å²	11	49.9 Å²	49.9	7%	0.071	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-10.2	177.2	28.3	-36.3	0	0	0	114.3	L81 I89 L113 A118	L81-P87 HydrophobicContact CD2-CB 3.75Å; L81-P87 HydrophobicContact CD2-CG 4.44Å; P87-I89 VanDerWaalsContact C-N 3.32Å; P87-L113 HydrophobicContact CB-CD2 4.42Å; P87-A118 HydrophobicContact CB-CB 4Å
88	N	96.2	Very high	95	Very high	58 Å²	58	49.9 Å²	49.9	31%	0.31	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	1.8	-179.3	-58.7	-77.6	0	0	0	113.6	D86 T96 G117 N119	D86-N88 PolarHBondContact O-N 2.98Å; D86-N88 VanDerWaalsContact O-N 3.16Å; D86-N88 VanDerWaalsContact OD1-CB 3.29Å; D86-N88 WeakPolarHBondContact OD1-CB 3.19Å; D86-N88 PolarHBondContact OD1-N 2.93Å; D86-N88 PolarHBondContact OD1-ND2 3.37Å; N88-T96 WeakPolarHBondContact O-CG2 3.5Å; N88-G117 PolarHBondContact ND2-O 3.16Å; N88-N119 WeakPolarHBondContact OD1-CB 3.47Å; N88-N119 PolarHBondContact OD1-N 3.21Å
89	I	93.9	Very high	95	Very high	24 Å²	24	45.1 Å²	45.1	12%	0.123	26%	0.263	C	S	.	.			trans	-62.5	136.1	178.4	-69.7	168	0	0	0	111.4	D61 N62 I85 D86 P87 T96	D61-I89 HydrophobicContact CB-CD1 4.19Å; N62-I89 VanDerWaalsContact CA-CG2 3.49Å; N62-I89 HydrophobicContact CB-CG2 3.49Å; N62-I89 VanDerWaalsContact CB-CG2 3.49Å; N62-I89 VanDerWaalsContact ND2-CG2 3.26Å; N62-I89 WeakPolarHBondContact ND2-CG2 3.24Å; I85-I89 HydrophobicContact CG2-CD1 3.69Å; D86-I89 HydrophobicContact CB-CD1 4.12Å; D86-I89 HydrophobicContact CB-CG1 4.03Å; D86-I89 VanDerWaalsContact O-CD1 3.29Å; D86-I89 WeakPolarHBondContact O-CD1 3.49Å; D86-I89 VanDerWaalsContact O-CG1 3.22Å; D86-I89 WeakPolarHBondContact O-CG1 3.5Å; D86-I89 PolarHBondContact O-N 2.92Å; P87-I89 VanDerWaalsContact C-N 3.32Å; I89-T96 WeakPolarHBondContact O-CA 3.45Å
90	S	94.1	Very high	95	Very high	42 Å²	42	42.3 Å²	42.3	29%	0.294	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-115	166.8	179.4	55.9	0	0	0	0	114.1	N62 G94 L95	N62-S90 PolarHBondContact ND2-O 2.92Å; S90-G94 VanDerWaalsContact CB-C 3.5Å; S90-G94 VanDerWaalsContact CB-O 3.32Å; S90-G94 WeakPolarHBondContact CB-O 3.48Å; S90-L95 CarbonylContact C-O 3.45Å; S90-L95 VanDerWaalsContact CA-O 3.23Å; S90-L95 WeakPolarHBondContact CA-O 3.5Å
91	N	92.6	Very high	95.1	Very high	58 Å²	58	41.5 Å²	41.5	31%	0.31	25%	0.25	S	C	.	.			trans	-82	-169.2	162.8	80.3	-12.1	0	0	0	111.4	L66 D93 G94 L95	L66-N91 HydrophobicContact CD1-CB 4.1Å; N91-D93 VanDerWaalsContact C-N 3.26Å; N91-D93 PolarHBondContact ND2-OD2 3.04Å; N91-D93 PolarHBondContact O-N 3.36Å; N91-D93 WeakPolarHBondContact OD1-CA 3.36Å; N91-D93 WeakPolarHBondContact OD1-CB 3.1Å; N91-D93 PolarHBondContact OD1-N 3.08Å; N91-G94 PolarHBondContact O-N 3.44Å; N91-G94 PolarHBondContact OD1-N 3.4Å; N91-L95 PolarHBondContact N-O 3.26Å; N91-L95 WeakPolarHBondContact OD1-CB 3.34Å; N91-L95 PolarHBondContact OD1-N 3.06Å
92	V	91.7	Very high	95.1	Very high	123 Å²	123	41 Å²	41	75%	0.745	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-21.1	178.9	-65.6	0	0	0	0	114.4	G94	V92-G94 VanDerWaalsContact C-N 3.33Å
93	D	89.6	Confident	95.1	Very high	85 Å²	85	40.9 Å²	40.9	46%	0.455	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	2.2	179.7	-39.2	-64.3	0	0	0	111.6	N91 L95 D124 A125	N91-D93 VanDerWaalsContact C-N 3.26Å; N91-D93 PolarHBondContact ND2-OD2 3.04Å; N91-D93 PolarHBondContact O-N 3.36Å; N91-D93 WeakPolarHBondContact OD1-CA 3.36Å; N91-D93 WeakPolarHBondContact OD1-CB 3.1Å; N91-D93 PolarHBondContact OD1-N 3.08Å; D93-L95 VanDerWaalsContact C-N 3.28Å; D93-L95 HydrophobicContact CB-CD1 4.44Å; D93-L95 HydrophobicContact CB-CG 4.42Å; D93-L95 PolarHBondContact O-N 3.18Å; D93-D124 WeakPolarHBondContact O-CB 3.35Å; D93-A125 VanDerWaalsContact O-CB 3.23Å; D93-A125 WeakPolarHBondContact O-CB 3.42Å; D93-A125 PolarHBondContact O-N 3.06Å
94	G	93	Very high	95.2	Very high	17 Å²	17	39.9 Å²	39.9	18%	0.175	24%	0.239	C	C	.	.	S	Bend	trans	82.6	-5.1	-175.4	0	0	0	0	0	114.9	S90 N91 V92 T96	S90-G94 VanDerWaalsContact CB-C 3.5Å; S90-G94 VanDerWaalsContact CB-O 3.32Å; S90-G94 WeakPolarHBondContact CB-O 3.48Å; N91-G94 PolarHBondContact O-N 3.44Å; N91-G94 PolarHBondContact OD1-N 3.4Å; V92-G94 VanDerWaalsContact C-N 3.33Å; G94-T96 PolarHBondContact O-N 2.87Å
95	L	94.9	Very high	95.4	Very high	43 Å²	43	40.3 Å²	40.3	23%	0.225	23%	0.225	C	C	.	.			trans	-65.9	118.7	178.6	-65.5	169.7	0	0	0	110.8	S90 N91 D93 H99 D124	S90-L95 CarbonylContact C-O 3.45Å; S90-L95 VanDerWaalsContact CA-O 3.23Å; S90-L95 WeakPolarHBondContact CA-O 3.5Å; N91-L95 PolarHBondContact N-O 3.26Å; N91-L95 WeakPolarHBondContact OD1-CB 3.34Å; N91-L95 PolarHBondContact OD1-N 3.06Å; D93-L95 VanDerWaalsContact C-N 3.28Å; D93-L95 HydrophobicContact CB-CD1 4.44Å; D93-L95 HydrophobicContact CB-CG 4.42Å; D93-L95 PolarHBondContact O-N 3.18Å; L95-H99 HydrophobicContact CB-CB 4.45Å; L95-H99 HydrophobicContact CD2-CB 3.88Å; L95-D124 HydrophobicContact CD2-CB 4.02Å; L95-D124 WeakPolarHBondContact CD2-OD2 3.33Å; L95-D124 HydrophobicContact CG-CB 4.38Å
96	T	96.9	Very high	95.4	Very high	9 Å²	9	41 Å²	41	6%	0.055	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-88.3	166.3	176	67.5	0	0	0	0	112.2	N88 I89 G94 L98 H99 Q100 A122	N88-T96 WeakPolarHBondContact O-CG2 3.5Å; I89-T96 WeakPolarHBondContact O-CA 3.45Å; G94-T96 PolarHBondContact O-N 2.87Å; T96-L98 PolarHBondContact O-N 2.95Å; T96-L98 VanDerWaalsContact O-N 3.08Å; T96-H99 PolarHBondContact N-ND1 2.87Å; T96-H99 WeakPolarHBondContact O-CB 3.36Å; T96-H99 PolarHBondContact O-N 3.26Å; T96-H99 PolarHBondContact OG1-ND1 3.27Å; T96-Q100 PolarHBondContact O-N 3.37Å; T96-A122 HydrophobicContact CG2-CB 4.14Å
97	A	97.1	Very high	95.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-51.4	-33.5	172.9	0	0	0	0	0	113.3	L65 L66 T69 Q100 A101 L113	L65-A97 HydrophobicContact CD2-CB 4.48Å; L65-A97 HydrophobicContact CG-CB 4.44Å; L66-A97 HydrophobicContact CD2-CB 4.18Å; T69-A97 HydrophobicContact CG2-CB 3.92Å; T69-A97 WeakPolarHBondContact CG2-O 3.43Å; T69-A97 WeakPolarHBondContact OG1-CB 3.33Å; A97-Q100 PolarHBondContact O-N 3.12Å; A97-A101 WeakPolarHBondContact O-CB 3.44Å; A97-A101 PolarHBondContact O-N 3.16Å; A97-L113 HydrophobicContact CB-CD1 4.01Å; A97-L113 HydrophobicContact CB-CD2 3.8Å; A97-L113 WeakPolarHBondContact O-CD1 3.46Å
98	L	98.2	Very high	95.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-72	-31.9	177.2	-176.8	60.8	0	0	0	112.9	T96 C102 C110 L113 L114 A118 P130 L146	T96-L98 PolarHBondContact O-N 2.95Å; T96-L98 VanDerWaalsContact O-N 3.08Å; L98-C102 PolarHBondContact O-N 3.36Å; L98-C102 PolarHBondContact O-SG 3Å; L98-C110 HydrophobicContact CD1-CB 4.19Å; L98-L113 HydrophobicContact CB-CD1 4.42Å; L98-L113 HydrophobicContact CD1-CB 4.36Å; L98-L114 HydrophobicContact CD1-CD1 4.18Å; L98-L114 HydrophobicContact CD1-CD2 4.5Å; L98-L114 HydrophobicContact CD1-CG 4.02Å; L98-L114 HydrophobicContact CD2-CD2 3.7Å; L98-L114 HydrophobicContact CD2-CG 4.12Å; L98-A118 HydrophobicContact CB-CB 4.25Å; L98-A118 HydrophobicContact CD2-CB 4.01Å; L98-P130 HydrophobicContact CB-CG 4.45Å; L98-P130 HydrophobicContact CD2-CB 4.2Å; L98-P130 HydrophobicContact CD2-CG 3.87Å; L98-P130 HydrophobicContact CG-CB 4Å; L98-P130 HydrophobicContact CG-CG 3.92Å; L98-L146 HydrophobicContact CD2-CD2 4.47Å
99	H	97.7	Very high	95.6	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-65.1	-48.5	171.8	-69.7	85.7	0	0	0	110.5	L95 T96 A101 C102 I103 W128 P130	L95-H99 HydrophobicContact CB-CB 4.45Å; L95-H99 HydrophobicContact CD2-CB 3.88Å; T96-H99 PolarHBondContact N-ND1 2.87Å; T96-H99 WeakPolarHBondContact O-CB 3.36Å; T96-H99 PolarHBondContact O-N 3.26Å; T96-H99 PolarHBondContact OG1-ND1 3.27Å; H99-A101 PolarHBondContact O-N 3.13Å; H99-C102 WeakPolarHBondContact O-CB 3.23Å; H99-C102 PolarHBondContact O-N 3.11Å; H99-I103 WeakPolarHBondContact O-CG1 3.44Å; H99-I103 PolarHBondContact O-N 3.33Å; H99-W128 PolarHBondContact NE2-O 3.2Å; H99-P130 WeakPolarHBondContact NE2-CD 3.38Å
100	Q	96.1	Very high	95.8	Very high	49 Å²	49	39.3 Å²	39.3	23%	0.229	23%	0.226	C	C	.	.	H	α-helix	trans	-58	-48.8	179	-170.7	60.4	52.2	0	0	111.7	T69 L70 T96 A97 C102 I103 D104	T69-Q100 HydrophobicContact CG2-CB 4.13Å; T69-Q100 HydrophobicContact CG2-CG 4.32Å; L70-Q100 HydrophobicContact CD1-CG 4.27Å; T96-Q100 PolarHBondContact O-N 3.37Å; A97-Q100 PolarHBondContact O-N 3.12Å; Q100-C102 PolarHBondContact O-N 3.19Å; Q100-I103 PolarHBondContact O-N 3.44Å; Q100-D104 WeakPolarHBondContact CG-OD2 3.43Å; Q100-D104 VanDerWaalsContact NE2-CG 3.27Å; Q100-D104 PolarHBondContact NE2-OD1 2.92Å; Q100-D104 VanDerWaalsContact NE2-OD1 3.16Å; Q100-D104 PolarHBondContact NE2-OD2 2.88Å; Q100-D104 PolarHBondContact O-N 3.02Å
101	A	97.4	Very high	96	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.9	-30.4	176.4	0	0	0	0	0	113.5	A97 H99 N105 D106 L109 C110 L113	A97-A101 WeakPolarHBondContact O-CB 3.44Å; A97-A101 PolarHBondContact O-N 3.16Å; H99-A101 PolarHBondContact O-N 3.13Å; A101-N105 PolarHBondContact O-N 3.16Å; A101-D106 PolarHBondContact O-N 3.14Å; A101-L109 HydrophobicContact CB-CB 4.13Å; A101-L109 HydrophobicContact CB-CD2 4.02Å; A101-L109 HydrophobicContact CB-CG 3.86Å; A101-C110 VanDerWaalsContact C-SG 3.55Å; A101-L113 HydrophobicContact CB-CD1 4.01Å
102	C	97.7	Very high	96.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-73.1	-38.3	172.8	-65.5	0	0	0	0	112.3	L98 H99 Q100 N105 C110 A133 A134 Y139 I142	L98-C102 PolarHBondContact O-N 3.36Å; L98-C102 PolarHBondContact O-SG 3Å; H99-C102 WeakPolarHBondContact O-CB 3.23Å; H99-C102 PolarHBondContact O-N 3.11Å; Q100-C102 PolarHBondContact O-N 3.19Å; C102-N105 PolarHBondContact O-N 2.87Å; C102-C110 VanDerWaalsContact SG-SG 3.67Å; C102-A133 HydrophobicContact CB-CB 4.31Å; C102-A134 HydrophobicContact CB-CB 4.33Å; C102-Y139 WeakPolarHBondContact O-CD2 3.35Å; C102-Y139 WeakPolarHBondContact O-CE2 3.42Å; C102-I142 HydrophobicContact CB-CG2 4.24Å
103	I	96.2	Very high	96.5	Very high	63 Å²	63	32.4 Å²	32.4	32%	0.323	18%	0.182	S	C	.	.	H	α-helix	trans	-67.5	-39	177.6	-65.5	164.1	0	0	0	111.3	H99 Q100 N105 A133 Y139	H99-I103 WeakPolarHBondContact O-CG1 3.44Å; H99-I103 PolarHBondContact O-N 3.33Å; Q100-I103 PolarHBondContact O-N 3.44Å; I103-N105 VanDerWaalsContact C-N 3.27Å; I103-N105 PolarHBondContact O-N 3.25Å; I103-A133 HydrophobicContact CG1-CB 4.09Å; I103-Y139 VanDerWaalsContact O-CE2 3.31Å; I103-Y139 WeakPolarHBondContact O-CE2 3.38Å; I103-Y139 PolarHBondContact O-OH 3.36Å
104	D	96	Very high	96.9	Very high	81 Å²	81	29.2 Å²	29.2	43%	0.433	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	0.4	-178.8	-62.9	-34	0	0	0	114	Q100 D106	Q100-D104 WeakPolarHBondContact CG-OD2 3.43Å; Q100-D104 VanDerWaalsContact NE2-CG 3.27Å; Q100-D104 PolarHBondContact NE2-OD1 2.92Å; Q100-D104 VanDerWaalsContact NE2-OD1 3.16Å; Q100-D104 PolarHBondContact NE2-OD2 2.88Å; Q100-D104 PolarHBondContact O-N 3.02Å; D104-D106 VanDerWaalsContact C-N 3.26Å; D104-D106 PolarHBondContact O-N 2.84Å
105	N	96.9	Very high	97.2	Very high	76 Å²	76	33.6 Å²	33.6	41%	0.406	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	23.2	-176.1	-155.1	4.9	0	0	0	114.9	A101 C102 I103 S107 Y139 I142	A101-N105 PolarHBondContact O-N 3.16Å; C102-N105 PolarHBondContact O-N 2.87Å; I103-N105 VanDerWaalsContact C-N 3.27Å; I103-N105 PolarHBondContact O-N 3.25Å; N105-S107 PolarHBondContact O-N 2.97Å; N105-Y139 HydrophobicContact CB-CD1 4.31Å; N105-Y139 HydrophobicContact CB-CD2 3.95Å; N105-Y139 HydrophobicContact CB-CE1 3.98Å; N105-Y139 HydrophobicContact CB-CE2 3.59Å; N105-Y139 HydrophobicContact CB-CG 4.3Å; N105-I142 WeakPolarHBondContact OD1-CD1 3.37Å
106	D	96.9	Very high	97.3	Very high	40 Å²	40	35.9 Å²	35.9	21%	0.214	19%	0.19	C	C	.	.			trans	-85.1	83.7	-178.9	-166.6	-19.6	0	0	0	112.1	A101 D104 V108 L109 C110	A101-D106 PolarHBondContact O-N 3.14Å; D104-D106 VanDerWaalsContact C-N 3.26Å; D104-D106 PolarHBondContact O-N 2.84Å; D106-V108 PolarHBondContact O-N 3.47Å; D106-V108 VanDerWaalsContact O-N 3.16Å; D106-V108 WeakPolarHBondContact OD1-CA 3.17Å; D106-V108 VanDerWaalsContact OD1-CB 3.31Å; D106-V108 WeakPolarHBondContact OD1-CB 3.44Å; D106-V108 PolarHBondContact OD1-N 2.77Å; D106-L109 HydrophobicContact CB-CB 3.84Å; D106-L109 HydrophobicContact CB-CD2 4.48Å; D106-L109 PolarHBondContact O-N 3.02Å; D106-L109 PolarHBondContact OD1-N 3.42Å; D106-L109 WeakPolarHBondContact OD2-CB 3.42Å; D106-C110 WeakPolarHBondContact O-CB 3.48Å; D106-C110 PolarHBondContact O-N 3.28Å; D106-C110 PolarHBondContact O-SG 2.77Å
107	S	96.7	Very high	97.3	Very high	44 Å²	44	37.7 Å²	37.7	31%	0.308	21%	0.21	S	C	.	.	H	α-helix	trans	-60.2	-18.1	174.1	68.2	0	0	0	0	115.1	N105 N111	N105-S107 PolarHBondContact O-N 2.97Å; S107-N111 PolarHBondContact O-N 3.4Å; S107-N111 PolarHBondContact O-ND2 3.43Å
108	V	97.1	Very high	97.3	Very high	93 Å²	93	38.1 Å²	38.1	56%	0.564	21%	0.214	S	C	*	.	H	α-helix	trans	-80.4	-50.7	175.7	-178.2	0	0	0	0	109.1	D106 C110 N111 L112	D106-V108 PolarHBondContact O-N 3.47Å; D106-V108 VanDerWaalsContact O-N 3.16Å; D106-V108 WeakPolarHBondContact OD1-CA 3.17Å; D106-V108 VanDerWaalsContact OD1-CB 3.31Å; D106-V108 WeakPolarHBondContact OD1-CB 3.44Å; D106-V108 PolarHBondContact OD1-N 2.77Å; V108-C110 PolarHBondContact O-N 2.74Å; V108-N111 WeakPolarHBondContact O-CA 3.1Å; V108-N111 WeakPolarHBondContact O-CB 3.26Å; V108-N111 PolarHBondContact O-N 2.95Å; V108-L112 PolarHBondContact O-N 3Å
109	L	97.5	Very high	97.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-39.9	177.6	-172.9	55.1	0	0	0	112	T69 V77 A101 D106 N111 L112 L113	T69-L109 HydrophobicContact CG2-CD2 3.75Å; T69-L109 HydrophobicContact CG2-CG 4.41Å; V77-L109 HydrophobicContact CB-CD1 4.09Å; V77-L109 HydrophobicContact CG1-CD1 3.85Å; V77-L109 HydrophobicContact CG2-CD1 4.08Å; A101-L109 HydrophobicContact CB-CB 4.13Å; A101-L109 HydrophobicContact CB-CD2 4.02Å; A101-L109 HydrophobicContact CB-CG 3.86Å; D106-L109 HydrophobicContact CB-CB 3.84Å; D106-L109 HydrophobicContact CB-CD2 4.48Å; D106-L109 PolarHBondContact O-N 3.02Å; D106-L109 PolarHBondContact OD1-N 3.42Å; D106-L109 WeakPolarHBondContact OD2-CB 3.42Å; L109-N111 VanDerWaalsContact C-N 3.33Å; L109-N111 PolarHBondContact O-N 3.19Å; L109-L112 HydrophobicContact CD1-CD2 4.24Å; L109-L112 PolarHBondContact O-N 3.46Å; L109-L113 HydrophobicContact CD1-CD1 4.27Å; L109-L113 HydrophobicContact CD1-CG 4.42Å; L109-L113 HydrophobicContact CG-CD1 4.05Å; L109-L113 WeakPolarHBondContact O-CB 3.49Å; L109-L113 WeakPolarHBondContact O-CD1 3.5Å; L109-L113 WeakPolarHBondContact O-CG 3.14Å; L109-L113 PolarHBondContact O-N 3.07Å
110	C	98.1	Very high	97.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.1	-45.8	168.9	-69.6	0	0	0	0	111.8	L98 A101 C102 D106 V108 L114 L145	L98-C110 HydrophobicContact CD1-CB 4.19Å; A101-C110 VanDerWaalsContact C-SG 3.55Å; C102-C110 VanDerWaalsContact SG-SG 3.67Å; D106-C110 WeakPolarHBondContact O-CB 3.48Å; D106-C110 PolarHBondContact O-N 3.28Å; D106-C110 PolarHBondContact O-SG 2.77Å; V108-C110 PolarHBondContact O-N 2.74Å; C110-L114 VanDerWaalsContact O-CB 3.23Å; C110-L114 WeakPolarHBondContact O-CB 3.49Å; C110-L114 VanDerWaalsContact O-CD1 3.25Å; C110-L114 WeakPolarHBondContact O-CD1 3.31Å; C110-L114 WeakPolarHBondContact O-CG 3.27Å; C110-L114 PolarHBondContact O-N 3.07Å; C110-L145 HydrophobicContact CB-CD2 3.64Å
111	N	97.6	Very high	97.4	Very high	59 Å²	59	42.6 Å²	42.6	32%	0.316	24%	0.24	S	C	.	.	H	α-helix	trans	-65.7	-39	178	-93.4	-70.3	0	0	0	112.5	S107 V108 L109 N115 L145 R149	S107-N111 PolarHBondContact O-N 3.4Å; S107-N111 PolarHBondContact O-ND2 3.43Å; V108-N111 WeakPolarHBondContact O-CA 3.1Å; V108-N111 WeakPolarHBondContact O-CB 3.26Å; V108-N111 PolarHBondContact O-N 2.95Å; L109-N111 VanDerWaalsContact C-N 3.33Å; L109-N111 PolarHBondContact O-N 3.19Å; N111-N115 WeakPolarHBondContact O-CB 3.28Å; N111-N115 PolarHBondContact O-N 3.24Å; N111-N115 PolarHBondContact O-ND2 3.31Å; N111-N115 PolarHBondContact O-OD1 2.95Å; N111-L145 WeakPolarHBondContact ND2-CD2 3.39Å; N111-L145 WeakPolarHBondContact OD1-CD1 3.43Å; N111-R149 PolarHBondContact OD1-NH2 3.08Å
112	L	97.8	Very high	97.4	Very high	19 Å²	19	43 Å²	43	10%	0.099	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-55.4	177	179.7	62.7	0	0	0	110.7	C74 V77 E78 V108 L109 L114 N115 Y116	C74-L112 HydrophobicContact CB-CD2 4.31Å; C74-L112 WeakPolarHBondContact O-CD2 3.42Å; V77-L112 HydrophobicContact CB-CD2 4.08Å; V77-L112 HydrophobicContact CG1-CD2 3.81Å; V77-L112 HydrophobicContact CG1-CG 4.47Å; E78-L112 HydrophobicContact CB-CD1 3.93Å; E78-L112 HydrophobicContact CB-CD2 4.11Å; E78-L112 HydrophobicContact CG-CD1 4.01Å; V108-L112 PolarHBondContact O-N 3Å; L109-L112 HydrophobicContact CD1-CD2 4.24Å; L109-L112 PolarHBondContact O-N 3.46Å; L112-L114 VanDerWaalsContact C-N 3.32Å; L112-L114 PolarHBondContact O-N 3.22Å; L112-N115 WeakPolarHBondContact O-CB 3.42Å; L112-N115 PolarHBondContact O-N 3.34Å; L112-Y116 HydrophobicContact CD1-CD2 3.86Å; L112-Y116 HydrophobicContact CD1-CE2 3.67Å; L112-Y116 HydrophobicContact CG-CD2 4.48Å; L112-Y116 WeakPolarHBondContact O-CD2 3.26Å; L112-Y116 PolarHBondContact O-N 3.38Å; L112-Y116 VanDerWaalsContact O-N 3.11Å
113	L	97.9	Very high	97.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-56	-45	177.5	-71.4	163.3	0	0	0	111.8	V77 L81 P87 A97 L98 A101 L109 N115 Y116 G117 A118	V77-L113 HydrophobicContact CG1-CD2 4.31Å; L81-L113 HydrophobicContact CD1-CD2 3.97Å; P87-L113 HydrophobicContact CB-CD2 4.42Å; A97-L113 HydrophobicContact CB-CD1 4.01Å; A97-L113 HydrophobicContact CB-CD2 3.8Å; A97-L113 WeakPolarHBondContact O-CD1 3.46Å; L98-L113 HydrophobicContact CB-CD1 4.42Å; L98-L113 HydrophobicContact CD1-CB 4.36Å; A101-L113 HydrophobicContact CB-CD1 4.01Å; L109-L113 HydrophobicContact CD1-CD1 4.27Å; L109-L113 HydrophobicContact CD1-CG 4.42Å; L109-L113 HydrophobicContact CG-CD1 4.05Å; L109-L113 WeakPolarHBondContact O-CB 3.49Å; L109-L113 WeakPolarHBondContact O-CD1 3.5Å; L109-L113 WeakPolarHBondContact O-CG 3.14Å; L109-L113 PolarHBondContact O-N 3.07Å; L113-N115 VanDerWaalsContact C-N 3.27Å; L113-N115 PolarHBondContact O-N 3.24Å; L113-Y116 PolarHBondContact O-N 2.95Å; L113-G117 PolarHBondContact O-N 2.78Å; L113-A118 HydrophobicContact CB-CB 3.92Å; L113-A118 VanDerWaalsContact O-CB 3.26Å; L113-A118 WeakPolarHBondContact O-CB 3.5Å; L113-A118 PolarHBondContact O-N 2.77Å
114	L	98	Very high	97.2	Very high	19 Å²	19	46.7 Å²	46.7	10%	0.099	26%	0.255	C	S	.	.	H	α-helix	trans	-71	-15.7	177.2	-70.2	164.3	0	0	0	114.1	L98 C110 L112 V120 L145 L146 R149	L98-L114 HydrophobicContact CD1-CD1 4.18Å; L98-L114 HydrophobicContact CD1-CD2 4.5Å; L98-L114 HydrophobicContact CD1-CG 4.02Å; L98-L114 HydrophobicContact CD2-CD2 3.7Å; L98-L114 HydrophobicContact CD2-CG 4.12Å; C110-L114 VanDerWaalsContact O-CB 3.23Å; C110-L114 WeakPolarHBondContact O-CB 3.49Å; C110-L114 VanDerWaalsContact O-CD1 3.25Å; C110-L114 WeakPolarHBondContact O-CD1 3.31Å; C110-L114 WeakPolarHBondContact O-CG 3.27Å; C110-L114 PolarHBondContact O-N 3.07Å; L112-L114 VanDerWaalsContact C-N 3.32Å; L112-L114 PolarHBondContact O-N 3.22Å; L114-V120 HydrophobicContact CD2-CB 3.89Å; L114-V120 HydrophobicContact CD2-CG2 4.07Å; L114-L145 HydrophobicContact CD1-CD1 4.46Å; L114-L145 HydrophobicContact CD1-CD2 4.19Å; L114-L145 HydrophobicContact CD1-CG 4.08Å; L114-L146 HydrophobicContact CD1-CD2 4.08Å; L114-R149 VanDerWaalsContact C-NH1 3.31Å; L114-R149 HydrophobicContact CD1-CB 4.5Å; L114-R149 HydrophobicContact CD1-CG 4.05Å; L114-R149 HydrophobicContact CD2-CB 4.42Å; L114-R149 PolarHBondContact O-NH1 3.41Å
115	N	97.4	Very high	96.9	Very high	109 Å²	109	44.6 Å²	44.6	58%	0.583	25%	0.25	S	C	*	.	H	α-helix	trans	-83.2	-32.6	170.6	-71.2	-17.3	0	0	0	111.9	N111 L112 L113 R149	N111-N115 WeakPolarHBondContact O-CB 3.28Å; N111-N115 PolarHBondContact O-N 3.24Å; N111-N115 PolarHBondContact O-ND2 3.31Å; N111-N115 PolarHBondContact O-OD1 2.95Å; L112-N115 WeakPolarHBondContact O-CB 3.42Å; L112-N115 PolarHBondContact O-N 3.34Å; L113-N115 VanDerWaalsContact C-N 3.27Å; L113-N115 PolarHBondContact O-N 3.24Å; N115-R149 VanDerWaalsContact OD1-CZ 3.28Å; N115-R149 PolarHBondContact OD1-NH1 3.13Å; N115-R149 PolarHBondContact OD1-NH2 2.78Å
116	Y	97.5	Very high	96.5	Very high	91 Å²	91	44.1 Å²	44.1	36%	0.357	25%	0.247	S	C	.	.	H	α-helix	trans	-86.2	-3.7	178.9	-83.6	-88.6	0	0	0	114.2	E78 L81 L112 L113	E78-Y116 HydrophobicContact CG-CE2 4.06Å; L81-Y116 HydrophobicContact CB-CD1 3.52Å; L81-Y116 HydrophobicContact CB-CD2 4.25Å; L81-Y116 HydrophobicContact CB-CE1 4Å; L81-Y116 HydrophobicContact CB-CG 3.66Å; L81-Y116 HydrophobicContact CD1-CD2 4.15Å; L81-Y116 HydrophobicContact CD1-CG 3.97Å; L81-Y116 HydrophobicContact CG-CG 4.42Å; L112-Y116 HydrophobicContact CD1-CD2 3.86Å; L112-Y116 HydrophobicContact CD1-CE2 3.67Å; L112-Y116 HydrophobicContact CG-CD2 4.48Å; L112-Y116 WeakPolarHBondContact O-CD2 3.26Å; L112-Y116 PolarHBondContact O-N 3.38Å; L112-Y116 VanDerWaalsContact O-N 3.11Å; L113-Y116 PolarHBondContact O-N 2.95Å
117	G	96.5	Very high	96.3	Very high	46 Å²	46	45.5 Å²	45.5	47%	0.474	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.3	23.3	172.2	0	0	0	0	0	115.4	N88 L113 N119	N88-G117 PolarHBondContact ND2-O 3.16Å; L113-G117 PolarHBondContact O-N 2.78Å; G117-N119 PolarHBondContact O-N 3.23Å
118	A	97.9	Very high	96.3	Very high	9 Å²	9	46.4 Å²	46.4	7%	0.074	25%	0.251	C	S	.	.			trans	-57.6	131.5	167.5	0	0	0	0	0	110.8	P87 L98 L113 V120	P87-A118 HydrophobicContact CB-CB 4Å; L98-A118 HydrophobicContact CB-CB 4.25Å; L98-A118 HydrophobicContact CD2-CB 4.01Å; L113-A118 HydrophobicContact CB-CB 3.92Å; L113-A118 VanDerWaalsContact O-CB 3.26Å; L113-A118 WeakPolarHBondContact O-CB 3.5Å; L113-A118 PolarHBondContact O-N 2.77Å; A118-V120 PolarHBondContact O-N 2.79Å; A118-V120 VanDerWaalsContact O-N 3.14Å
119	N	98.1	Very high	96.3	Very high	77 Å²	77	42 Å²	42	41%	0.412	22%	0.224	S	C	.	.			trans	-68.5	109.6	176	178.8	13.3	0	0	0	110	N88 G117 N121 A122	N88-N119 WeakPolarHBondContact OD1-CB 3.47Å; N88-N119 PolarHBondContact OD1-N 3.21Å; G117-N119 PolarHBondContact O-N 3.23Å; N119-N121 VanDerWaalsContact CG-C 3.48Å; N119-N121 VanDerWaalsContact ND2-C 3.34Å; N119-N121 PolarHBondContact ND2-O 2.95Å; N119-N121 PolarHBondContact O-N 3.42Å; N119-N121 VanDerWaalsContact O-N 3.16Å; N119-N121 VanDerWaalsContact OD1-C 3.32Å; N119-N121 WeakPolarHBondContact OD1-CA 3.41Å; N119-N121 PolarHBondContact OD1-N 3.43Å; N119-A122 HydrophobicContact CB-CB 4.27Å; N119-A122 VanDerWaalsContact CG-N 3.29Å; N119-A122 PolarHBondContact ND2-N 2.89Å; N119-A122 WeakPolarHBondContact O-CB 3.43Å; N119-A122 PolarHBondContact O-N 3.42Å; N119-A122 PolarHBondContact OD1-N 3.02Å
120	V	98.2	Very high	96.4	Very high	14 Å²	14	41.9 Å²	41.9	9%	0.085	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.1	175.7	73.3	0	0	0	0	112.9	L114 A118 L146 R149 A151	L114-V120 HydrophobicContact CD2-CB 3.89Å; L114-V120 HydrophobicContact CD2-CG2 4.07Å; A118-V120 PolarHBondContact O-N 2.79Å; A118-V120 VanDerWaalsContact O-N 3.14Å; V120-L146 HydrophobicContact CG2-CB 4.27Å; V120-L146 HydrophobicContact CG2-CD2 3.77Å; V120-R149 HydrophobicContact CG2-CB 4.13Å; V120-A151 HydrophobicContact CG2-CB 3.83Å
121	N	98.1	Very high	96.4	Very high	53 Å²	53	41.9 Å²	41.9	28%	0.283	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	34.7	176.2	-61.8	-43.5	0	0	0	111.4	N119 G150 A151 D152	N119-N121 VanDerWaalsContact CG-C 3.48Å; N119-N121 VanDerWaalsContact ND2-C 3.34Å; N119-N121 PolarHBondContact ND2-O 2.95Å; N119-N121 PolarHBondContact O-N 3.42Å; N119-N121 VanDerWaalsContact O-N 3.16Å; N119-N121 VanDerWaalsContact OD1-C 3.32Å; N119-N121 WeakPolarHBondContact OD1-CA 3.41Å; N119-N121 PolarHBondContact OD1-N 3.43Å; N121-G150 PolarHBondContact ND2-O 3.22Å; N121-A151 VanDerWaalsContact OD1-CA 3.3Å; N121-A151 WeakPolarHBondContact OD1-CA 3.37Å; N121-D152 PolarHBondContact OD1-N 3.41Å
122	A	97.5	Very high	96.4	Very high	10 Å²	10	39.1 Å²	39.1	8%	0.083	21%	0.208	C	C	.	.			trans	-58	152.6	162.9	0	0	0	0	0	109.5	T96 N119 T129 P130	T96-A122 HydrophobicContact CG2-CB 4.14Å; N119-A122 HydrophobicContact CB-CB 4.27Å; N119-A122 VanDerWaalsContact CG-N 3.29Å; N119-A122 PolarHBondContact ND2-N 2.89Å; N119-A122 WeakPolarHBondContact O-CB 3.43Å; N119-A122 PolarHBondContact O-N 3.42Å; N119-A122 PolarHBondContact OD1-N 3.02Å; A122-T129 WeakPolarHBondContact O-CA 3.47Å; A122-P130 WeakPolarHBondContact O-CD 3.5Å
123	R	95.8	Very high	96.3	Very high	113 Å²	113	38.5 Å²	38.5	43%	0.426	21%	0.206	S	C	.	.			trans	-128.8	139.5	175.5	-74.2	-173.6	-172.8	-143.7	0.6	110.1	L127 W128 T129 C156	R123-L127 HydrophobicContact CB-CD2 4.47Å; R123-W128 VanDerWaalsContact CA-O 3.25Å; R123-W128 WeakPolarHBondContact CA-O 3.41Å; R123-T129 HydrophobicContact CG-CG2 3.96Å; R123-C156 PolarHBondContact NH1-O 2.77Å
124	D	93.5	Very high	96.3	Very high	26 Å²	26	38.5 Å²	38.5	14%	0.139	21%	0.206	C	C	.	.			trans	-89	-172.3	171.7	76.1	4	0	0	0	112.1	D93 L95 D126 L127 W128	D93-D124 WeakPolarHBondContact O-CB 3.35Å; L95-D124 HydrophobicContact CD2-CB 4.02Å; L95-D124 WeakPolarHBondContact CD2-OD2 3.33Å; L95-D124 HydrophobicContact CG-CB 4.38Å; D124-D126 PolarHBondContact O-N 2.94Å; D124-D126 PolarHBondContact OD1-N 2.96Å; D124-L127 PolarHBondContact O-N 3.46Å; D124-L127 PolarHBondContact OD1-N 3.36Å; D124-L127 VanDerWaalsContact OD1-N 3.09Å; D124-W128 PolarHBondContact N-O 3Å; D124-W128 VanDerWaalsContact N-O 3.07Å; D124-W128 WeakPolarHBondContact OD1-CB 3.47Å; D124-W128 PolarHBondContact OD1-N 3.01Å
125	A	90.5	Very high	96.3	Very high	38 Å²	38	37.6 Å²	37.6	31%	0.314	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.9	-177.2	0	0	0	0	0	114.7	D93 R559	D93-A125 VanDerWaalsContact O-CB 3.23Å; D93-A125 WeakPolarHBondContact O-CB 3.42Å; D93-A125 PolarHBondContact O-N 3.06Å; A125-R559 PolarHBondContact O-NE 2.86Å
126	D	88.4	Confident	96.3	Very high	66 Å²	66	35 Å²	35	35%	0.353	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	21.1	172.8	-72.8	-45	0	0	0	112	D124 W128 A158 R559	D124-D126 PolarHBondContact O-N 2.94Å; D124-D126 PolarHBondContact OD1-N 2.96Å; D126-W128 PolarHBondContact O-N 3.21Å; D126-W128 VanDerWaalsContact O-N 3.09Å; D126-A158 HydrophobicContact CB-CB 4.22Å; D126-A158 VanDerWaalsContact O-CB 3.29Å; D126-A158 WeakPolarHBondContact O-CB 3.41Å; D126-A158 PolarHBondContact O-N 3.11Å; D126-R559 IonicContact OD1-CZ 3.17Å; D126-R559 IonicContact OD1-NE 2.72Å; D126-R559 IonicContact OD1-NH2 2.7Å; D126-R559 PolarHBondContact OD1-NH2 3.22Å
127	L	93.2	Very high	96.2	Very high	68 Å²	68	33 Å²	33	36%	0.356	19%	0.189	S	C	.	.			trans	60.5	13.4	176.6	-53	178.3	0	0	0	114.8	R123 D124	R123-L127 HydrophobicContact CB-CD2 4.47Å; D124-L127 PolarHBondContact O-N 3.46Å; D124-L127 PolarHBondContact OD1-N 3.36Å; D124-L127 VanDerWaalsContact OD1-N 3.09Å
128	W	95.8	Very high	96.2	Very high	63 Å²	63	31.8 Å²	31.8	24%	0.239	18%	0.176	C	C	.	.			trans	-62.9	146.4	171.4	-76.2	61.2	0	0	0	109.4	H99 R123 D124 D126 H132 T136 N157 I166	H99-W128 PolarHBondContact NE2-O 3.2Å; R123-W128 VanDerWaalsContact CA-O 3.25Å; R123-W128 WeakPolarHBondContact CA-O 3.41Å; D124-W128 PolarHBondContact N-O 3Å; D124-W128 VanDerWaalsContact N-O 3.07Å; D124-W128 WeakPolarHBondContact OD1-CB 3.47Å; D124-W128 PolarHBondContact OD1-N 3.01Å; D126-W128 PolarHBondContact O-N 3.21Å; D126-W128 VanDerWaalsContact O-N 3.09Å; W128-H132 HydrophobicContact CB-CB 4.22Å; W128-H132 HydrophobicContact CD2-CB 3.9Å; W128-H132 HydrophobicContact CE3-CB 3.36Å; W128-H132 HydrophobicContact CG-CB 4.3Å; W128-H132 HydrophobicContact CZ3-CB 3.93Å; W128-T136 HydrophobicContact CH2-CG2 4.05Å; W128-T136 HydrophobicContact CZ3-CG2 3.64Å; W128-N157 HydrophobicContact CG-CB 4.38Å; W128-N157 PolarHBondContact NE1-ND2 2.87Å; W128-I166 HydrophobicContact CE3-CD1 4.28Å; W128-I166 HydrophobicContact CH2-CD1 3.61Å; W128-I166 HydrophobicContact CZ2-CD1 4.3Å; W128-I166 HydrophobicContact CZ3-CD1 3.6Å
129	T	97.9	Very high	96.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.			trans	-110.6	166.9	174.4	69.9	0	0	0	0	109.9	A122 R123 L131 H132 A133 A155	A122-T129 WeakPolarHBondContact O-CA 3.47Å; R123-T129 HydrophobicContact CG-CG2 3.96Å; T129-L131 PolarHBondContact O-N 3.13Å; T129-L131 PolarHBondContact OG1-N 3.49Å; T129-H132 PolarHBondContact N-ND1 3.08Å; T129-H132 VanDerWaalsContact N-ND1 3.13Å; T129-H132 WeakPolarHBondContact O-CB 3.33Å; T129-H132 PolarHBondContact O-N 3.19Å; T129-H132 PolarHBondContact OG1-N 2.92Å; T129-H132 PolarHBondContact OG1-ND1 2.88Å; T129-A133 PolarHBondContact O-N 3.46Å; T129-A133 VanDerWaalsContact O-N 3.12Å; T129-A155 HydrophobicContact CG2-CB 4.04Å
130	P	98.2	Very high	96.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-55.1	-27.7	172.2	-26.9	36.2	0	0	0	113.1	L98 H99 A122 A134 L146	L98-P130 HydrophobicContact CB-CG 4.45Å; L98-P130 HydrophobicContact CD2-CB 4.2Å; L98-P130 HydrophobicContact CD2-CG 3.87Å; L98-P130 HydrophobicContact CG-CB 4Å; L98-P130 HydrophobicContact CG-CG 3.92Å; H99-P130 WeakPolarHBondContact NE2-CD 3.38Å; A122-P130 WeakPolarHBondContact O-CD 3.5Å; P130-A134 WeakPolarHBondContact O-CB 3.34Å; P130-A134 PolarHBondContact O-N 3.46Å; P130-L146 HydrophobicContact CB-CD1 4.2Å; P130-L146 HydrophobicContact CB-CD2 4.05Å; P130-L146 WeakPolarHBondContact O-CD1 3.49Å
131	L	98.4	Very high	96.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-73.2	-35.3	174.8	-174.3	60.5	0	0	0	112.5	T129 S135 C143 L146 I147 A151 L153 P163 L176	T129-L131 PolarHBondContact O-N 3.13Å; T129-L131 PolarHBondContact OG1-N 3.49Å; L131-S135 VanDerWaalsContact O-CB 3.24Å; L131-S135 WeakPolarHBondContact O-CB 3.3Å; L131-S135 PolarHBondContact O-N 3.03Å; L131-S135 PolarHBondContact O-OG 2.73Å; L131-C143 HydrophobicContact CD1-CB 4.12Å; L131-L146 HydrophobicContact CB-CD1 4.26Å; L131-L146 HydrophobicContact CD1-CB 4.25Å; L131-L146 HydrophobicContact CD1-CD1 4.22Å; L131-I147 HydrophobicContact CD1-CD1 4.25Å; L131-I147 HydrophobicContact CD1-CG1 4.1Å; L131-I147 HydrophobicContact CD2-CD1 4.36Å; L131-I147 HydrophobicContact CD2-CG1 3.96Å; L131-A151 HydrophobicContact CB-CB 4.16Å; L131-A151 HydrophobicContact CD2-CB 3.85Å; L131-A151 HydrophobicContact CG-CB 4.47Å; L131-L153 HydrophobicContact CD2-CD2 4.05Å; L131-L153 HydrophobicContact CD2-CG 4.47Å; L131-P163 HydrophobicContact CB-CG 4.27Å; L131-P163 HydrophobicContact CD2-CB 4.26Å; L131-P163 HydrophobicContact CD2-CG 4.01Å; L131-P163 HydrophobicContact CG-CB 3.88Å; L131-P163 HydrophobicContact CG-CG 3.9Å; L131-L176 HydrophobicContact CD1-CD2 4.3Å
132	H	97.7	Very high	96.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.3	-48.9	171.3	-68.3	85.8	0	0	0	110.6	W128 T129 A134 S135 T136 A155 L161 I166	W128-H132 HydrophobicContact CB-CB 4.22Å; W128-H132 HydrophobicContact CD2-CB 3.9Å; W128-H132 HydrophobicContact CE3-CB 3.36Å; W128-H132 HydrophobicContact CG-CB 4.3Å; W128-H132 HydrophobicContact CZ3-CB 3.93Å; T129-H132 PolarHBondContact N-ND1 3.08Å; T129-H132 VanDerWaalsContact N-ND1 3.13Å; T129-H132 WeakPolarHBondContact O-CB 3.33Å; T129-H132 PolarHBondContact O-N 3.19Å; T129-H132 PolarHBondContact OG1-N 2.92Å; T129-H132 PolarHBondContact OG1-ND1 2.88Å; H132-A134 PolarHBondContact O-N 2.94Å; H132-S135 PolarHBondContact O-N 2.7Å; H132-S135 VanDerWaalsContact O-N 3.07Å; H132-T136 PolarHBondContact O-N 2.69Å; H132-A155 PolarHBondContact CE1-O 3.36Å; H132-A155 PolarHBondContact NE2-O 2.68Å; H132-L161 PolarHBondContact NE2-O 2.9Å; H132-I166 HydrophobicContact CB-CD1 3.7Å
133	A	96.7	Very high	96.1	Very high	7 Å²	7	36.2 Å²	36.2	6%	0.058	19%	0.188	C	C	.	.	H	α-helix	trans	-59.1	-43.5	178.4	0	0	0	0	0	112.5	C102 I103 T129 S135 C137	C102-A133 HydrophobicContact CB-CB 4.31Å; I103-A133 HydrophobicContact CG1-CB 4.09Å; T129-A133 PolarHBondContact O-N 3.46Å; T129-A133 VanDerWaalsContact O-N 3.12Å; A133-S135 VanDerWaalsContact C-N 3.32Å; A133-S135 PolarHBondContact O-N 2.74Å; A133-C137 PolarHBondContact O-SG 3.46Å
134	A	97.8	Very high	96.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-67.5	-30.2	175.4	0	0	0	0	0	113.4	C102 P130 H132 G138 Y139 I142 C143 L146	C102-A134 HydrophobicContact CB-CB 4.33Å; P130-A134 WeakPolarHBondContact O-CB 3.34Å; P130-A134 PolarHBondContact O-N 3.46Å; H132-A134 PolarHBondContact O-N 2.94Å; A134-G138 PolarHBondContact O-N 3.48Å; A134-Y139 PolarHBondContact O-N 3.37Å; A134-I142 HydrophobicContact CB-CB 4.13Å; A134-I142 HydrophobicContact CB-CG2 3.74Å; A134-C143 VanDerWaalsContact C-SG 3.6Å; A134-L146 HydrophobicContact CB-CD1 3.78Å
135	S	97.6	Very high	96.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-83.2	-40.7	-174.9	-56.4	0	0	0	0	112.7	L131 H132 A133 C137 G138 P163 C167	L131-S135 VanDerWaalsContact O-CB 3.24Å; L131-S135 WeakPolarHBondContact O-CB 3.3Å; L131-S135 PolarHBondContact O-N 3.03Å; L131-S135 PolarHBondContact O-OG 2.73Å; H132-S135 PolarHBondContact O-N 2.7Å; H132-S135 VanDerWaalsContact O-N 3.07Å; A133-S135 VanDerWaalsContact C-N 3.32Å; A133-S135 PolarHBondContact O-N 2.74Å; S135-C137 VanDerWaalsContact C-N 3.27Å; S135-C137 PolarHBondContact O-N 2.91Å; S135-G138 PolarHBondContact O-N 3.06Å; S135-P163 WeakPolarHBondContact CB-O 3.23Å; S135-C167 PolarHBondContact O-SG 3Å
136	T	96.7	Very high	96.8	Very high	53 Å²	53	33 Å²	33	33%	0.325	17%	0.17	S	C	.	.	H	α-helix	trans	-62.9	-35.6	174.6	-166.4	0	0	0	0	111.8	W128 H132 G138 I166	W128-T136 HydrophobicContact CH2-CG2 4.05Å; W128-T136 HydrophobicContact CZ3-CG2 3.64Å; H132-T136 PolarHBondContact O-N 2.69Å; T136-G138 VanDerWaalsContact C-N 3.25Å; T136-G138 PolarHBondContact O-N 3.07Å; T136-I166 WeakPolarHBondContact CA-O 3.29Å
137	C	95.2	Very high	97.3	Very high	51 Å²	51	30.4 Å²	30.4	35%	0.345	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-2	174.7	-63.3	0	0	0	0	114.4	A133 S135 Y139	A133-C137 PolarHBondContact O-SG 3.46Å; S135-C137 VanDerWaalsContact C-N 3.27Å; S135-C137 PolarHBondContact O-N 2.91Å; C137-Y139 VanDerWaalsContact C-N 3.29Å; C137-Y139 HydrophobicContact CB-CD1 4.05Å; C137-Y139 HydrophobicContact CB-CD2 3.53Å; C137-Y139 HydrophobicContact CB-CE1 3.88Å; C137-Y139 HydrophobicContact CB-CE2 3.33Å; C137-Y139 HydrophobicContact CB-CG 3.89Å; C137-Y139 VanDerWaalsContact O-CD1 3.23Å; C137-Y139 WeakPolarHBondContact O-CD1 3.25Å; C137-Y139 WeakPolarHBondContact O-CE1 3.38Å; C137-Y139 PolarHBondContact O-N 2.91Å
138	G	96.3	Very high	97.5	Very high	20 Å²	20	36 Å²	36	21%	0.206	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	24.7	-179	0	0	0	0	0	114.7	A134 S135 T136 L140 T172	A134-G138 PolarHBondContact O-N 3.48Å; S135-G138 PolarHBondContact O-N 3.06Å; T136-G138 VanDerWaalsContact C-N 3.25Å; T136-G138 PolarHBondContact O-N 3.07Å; G138-L140 VanDerWaalsContact C-N 3.31Å; G138-L140 PolarHBondContact O-N 3.27Å; G138-T172 PolarHBondContact O-OG1 3.18Å
139	Y	97.5	Very high	97.6	Very high	62 Å²	62	37.1 Å²	37.1	24%	0.243	18%	0.182	C	C	.	.			trans	-84.9	71	-174.8	-60.3	-27.8	0	0	0	112.1	C102 I103 N105 A134 C137 Q141 I142 C143	C102-Y139 WeakPolarHBondContact O-CD2 3.35Å; C102-Y139 WeakPolarHBondContact O-CE2 3.42Å; I103-Y139 VanDerWaalsContact O-CE2 3.31Å; I103-Y139 WeakPolarHBondContact O-CE2 3.38Å; I103-Y139 PolarHBondContact O-OH 3.36Å; N105-Y139 HydrophobicContact CB-CD1 4.31Å; N105-Y139 HydrophobicContact CB-CD2 3.95Å; N105-Y139 HydrophobicContact CB-CE1 3.98Å; N105-Y139 HydrophobicContact CB-CE2 3.59Å; N105-Y139 HydrophobicContact CB-CG 4.3Å; A134-Y139 PolarHBondContact O-N 3.37Å; C137-Y139 VanDerWaalsContact C-N 3.29Å; C137-Y139 HydrophobicContact CB-CD1 4.05Å; C137-Y139 HydrophobicContact CB-CD2 3.53Å; C137-Y139 HydrophobicContact CB-CE1 3.88Å; C137-Y139 HydrophobicContact CB-CE2 3.33Å; C137-Y139 HydrophobicContact CB-CG 3.89Å; C137-Y139 VanDerWaalsContact O-CD1 3.23Å; C137-Y139 WeakPolarHBondContact O-CD1 3.25Å; C137-Y139 WeakPolarHBondContact O-CE1 3.38Å; C137-Y139 PolarHBondContact O-N 2.91Å; Y139-Q141 PolarHBondContact O-N 3.25Å; Y139-I142 HydrophobicContact CD2-CD1 4.26Å; Y139-I142 PolarHBondContact O-N 3.37Å; Y139-C143 PolarHBondContact O-N 2.78Å; Y139-C143 PolarHBondContact O-SG 3.49Å; Y139-C143 VanDerWaalsContact O-SG 3.4Å
140	L	97.5	Very high	97.5	Very high	51 Å²	51	39.3 Å²	39.3	27%	0.267	21%	0.205	S	C	.	.	H	α-helix	trans	-42.1	-40.7	179.1	179.4	59	0	0	0	114.7	G138 Q144 F175	G138-L140 VanDerWaalsContact C-N 3.31Å; G138-L140 PolarHBondContact O-N 3.27Å; L140-Q144 HydrophobicContact CD1-CG 4.38Å; L140-Q144 WeakPolarHBondContact O-CB 3.38Å; L140-Q144 VanDerWaalsContact O-CG 3.24Å; L140-Q144 WeakPolarHBondContact O-CG 3.23Å; L140-Q144 PolarHBondContact O-N 2.95Å; L140-F175 HydrophobicContact CD1-CB 3.53Å; L140-F175 HydrophobicContact CD1-CD1 3.51Å; L140-F175 HydrophobicContact CD1-CD2 4.22Å; L140-F175 HydrophobicContact CD1-CE1 4.31Å; L140-F175 HydrophobicContact CD1-CG 3.46Å; L140-F175 VanDerWaalsContact CD1-CG 3.46Å
141	Q	97.6	Very high	97.5	Very high	143 Å²	143	39.8 Å²	39.8	67%	0.668	21%	0.209	S	C	*	.	H	α-helix	trans	-69.2	-35.5	-179.2	-62.8	-173.3	41	0	0	112.8	Y139 L145	Y139-Q141 PolarHBondContact O-N 3.25Å; Q141-L145 PolarHBondContact O-N 3.27Å; Q141-L145 VanDerWaalsContact O-N 3.09Å
142	I	98.3	Very high	97.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-78	-39.7	176.7	-60.2	-177.1	0	0	0	109.5	C102 N105 A134 Y139 Q144 L145 L146	C102-I142 HydrophobicContact CB-CG2 4.24Å; N105-I142 WeakPolarHBondContact OD1-CD1 3.37Å; A134-I142 HydrophobicContact CB-CB 4.13Å; A134-I142 HydrophobicContact CB-CG2 3.74Å; Y139-I142 HydrophobicContact CD2-CD1 4.26Å; Y139-I142 PolarHBondContact O-N 3.37Å; I142-Q144 VanDerWaalsContact C-N 3.29Å; I142-Q144 PolarHBondContact O-N 3.19Å; I142-L145 WeakPolarHBondContact O-CB 3.41Å; I142-L145 PolarHBondContact O-N 3.5Å; I142-L146 HydrophobicContact CG2-CD1 3.81Å; I142-L146 HydrophobicContact CG2-CG 4.11Å; I142-L146 WeakPolarHBondContact O-CB 3.29Å; I142-L146 VanDerWaalsContact O-CG 3.28Å; I142-L146 WeakPolarHBondContact O-CG 3.46Å; I142-L146 PolarHBondContact O-N 2.8Å
143	C	98.3	Very high	97.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-55.9	-44.5	171	-61.2	0	0	0	0	111.6	L131 A134 Y139 L145 L146 I147 T172 F175	L131-C143 HydrophobicContact CD1-CB 4.12Å; A134-C143 VanDerWaalsContact C-SG 3.6Å; Y139-C143 PolarHBondContact O-N 2.78Å; Y139-C143 PolarHBondContact O-SG 3.49Å; Y139-C143 VanDerWaalsContact O-SG 3.4Å; C143-L145 PolarHBondContact O-N 2.92Å; C143-L146 PolarHBondContact O-N 3.16Å; C143-I147 WeakPolarHBondContact O-CB 3.29Å; C143-I147 WeakPolarHBondContact O-CD1 3.22Å; C143-I147 WeakPolarHBondContact O-CG1 3.29Å; C143-I147 PolarHBondContact O-N 3.41Å; C143-T172 HydrophobicContact CB-CG2 4.38Å; C143-F175 HydrophobicContact CB-CD1 4.44Å; C143-F175 HydrophobicContact CB-CE1 4.16Å
144	Q	98	Very high	97.4	Very high	89 Å²	89	45.6 Å²	45.6	42%	0.416	24%	0.236	S	C	.	.	H	α-helix	trans	-60.7	-41.8	173.1	-77.8	173.1	19.2	0	0	113.1	L140 I142 K148 F175	L140-Q144 HydrophobicContact CD1-CG 4.38Å; L140-Q144 WeakPolarHBondContact O-CB 3.38Å; L140-Q144 VanDerWaalsContact O-CG 3.24Å; L140-Q144 WeakPolarHBondContact O-CG 3.23Å; L140-Q144 PolarHBondContact O-N 2.95Å; I142-Q144 VanDerWaalsContact C-N 3.29Å; I142-Q144 PolarHBondContact O-N 3.19Å; Q144-K148 WeakPolarHBondContact O-CB 3.34Å; Q144-K148 PolarHBondContact O-N 3.27Å; Q144-K148 VanDerWaalsContact O-N 3.14Å; Q144-F175 HydrophobicContact CB-CE1 4.46Å; Q144-F175 HydrophobicContact CB-CZ 4.16Å; Q144-F175 HydrophobicContact CG-CD1 4.36Å; Q144-F175 HydrophobicContact CG-CD2 4.37Å; Q144-F175 HydrophobicContact CG-CE1 3.66Å; Q144-F175 HydrophobicContact CG-CE2 3.68Å; Q144-F175 HydrophobicContact CG-CZ 3.3Å
145	L	98.2	Very high	97.2	Very high	19 Å²	19	45.7 Å²	45.7	10%	0.099	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-49.6	177	170.8	61.1	0	0	0	111.9	C110 N111 L114 Q141 I142 C143 K148 R149	C110-L145 HydrophobicContact CB-CD2 3.64Å; N111-L145 WeakPolarHBondContact ND2-CD2 3.39Å; N111-L145 WeakPolarHBondContact OD1-CD1 3.43Å; L114-L145 HydrophobicContact CD1-CD1 4.46Å; L114-L145 HydrophobicContact CD1-CD2 4.19Å; L114-L145 HydrophobicContact CD1-CG 4.08Å; Q141-L145 PolarHBondContact O-N 3.27Å; Q141-L145 VanDerWaalsContact O-N 3.09Å; I142-L145 WeakPolarHBondContact O-CB 3.41Å; I142-L145 PolarHBondContact O-N 3.5Å; C143-L145 PolarHBondContact O-N 2.92Å; L145-K148 PolarHBondContact O-N 3.32Å; L145-R149 HydrophobicContact CD1-CG 4.07Å; L145-R149 WeakPolarHBondContact O-CG 3.1Å; L145-R149 PolarHBondContact O-N 3.39Å; L145-R149 VanDerWaalsContact O-N 3.09Å
146	L	98.5	Very high	96.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-48.6	-176.9	-69.4	170.6	0	0	0	111.2	L98 L114 V120 P130 L131 A134 I142 C143 K148 R149 G150 A151	L98-L146 HydrophobicContact CD2-CD2 4.47Å; L114-L146 HydrophobicContact CD1-CD2 4.08Å; V120-L146 HydrophobicContact CG2-CB 4.27Å; V120-L146 HydrophobicContact CG2-CD2 3.77Å; P130-L146 HydrophobicContact CB-CD1 4.2Å; P130-L146 HydrophobicContact CB-CD2 4.05Å; P130-L146 WeakPolarHBondContact O-CD1 3.49Å; L131-L146 HydrophobicContact CB-CD1 4.26Å; L131-L146 HydrophobicContact CD1-CB 4.25Å; L131-L146 HydrophobicContact CD1-CD1 4.22Å; A134-L146 HydrophobicContact CB-CD1 3.78Å; I142-L146 HydrophobicContact CG2-CD1 3.81Å; I142-L146 HydrophobicContact CG2-CG 4.11Å; I142-L146 WeakPolarHBondContact O-CB 3.29Å; I142-L146 VanDerWaalsContact O-CG 3.28Å; I142-L146 WeakPolarHBondContact O-CG 3.46Å; I142-L146 PolarHBondContact O-N 2.8Å; C143-L146 PolarHBondContact O-N 3.16Å; L146-K148 VanDerWaalsContact C-N 3.32Å; L146-K148 PolarHBondContact O-N 3.29Å; L146-R149 CarbonylContact O-C 3.6Å; L146-R149 WeakPolarHBondContact O-CA 3.22Å; L146-R149 WeakPolarHBondContact O-CB 3.36Å; L146-R149 PolarHBondContact O-N 2.99Å; L146-G150 PolarHBondContact O-N 3.38Å; L146-G150 VanDerWaalsContact O-N 3.16Å; L146-A151 VanDerWaalsContact C-CB 3.45Å; L146-A151 HydrophobicContact CB-CB 3.88Å; L146-A151 VanDerWaalsContact O-CB 3.31Å; L146-A151 WeakPolarHBondContact O-CB 3.42Å; L146-A151 PolarHBondContact O-N 3.23Å
147	I	98	Very high	96.6	Very high	12 Å²	12	44 Å²	44	6%	0.062	23%	0.227	C	C	.	.	H	α-helix	trans	-63.9	-38.8	178.1	-65.2	165	0	0	0	111	L131 C143 R149 G150 A151 L153 F175 L176 Q179 F183	L131-I147 HydrophobicContact CD1-CD1 4.25Å; L131-I147 HydrophobicContact CD1-CG1 4.1Å; L131-I147 HydrophobicContact CD2-CD1 4.36Å; L131-I147 HydrophobicContact CD2-CG1 3.96Å; C143-I147 WeakPolarHBondContact O-CB 3.29Å; C143-I147 WeakPolarHBondContact O-CD1 3.22Å; C143-I147 WeakPolarHBondContact O-CG1 3.29Å; C143-I147 PolarHBondContact O-N 3.41Å; I147-R149 PolarHBondContact O-N 3.22Å; I147-G150 PolarHBondContact O-N 3.36Å; I147-G150 VanDerWaalsContact O-N 3.11Å; I147-A151 HydrophobicContact CG1-CB 4.41Å; I147-L153 HydrophobicContact CD1-CD2 3.84Å; I147-L153 HydrophobicContact CD1-CG 4.45Å; I147-L153 HydrophobicContact CG1-CD2 4.31Å; I147-L153 HydrophobicContact CG1-CG 4.48Å; I147-L153 HydrophobicContact CG2-CD1 4.45Å; I147-F175 HydrophobicContact CD1-CE1 3.83Å; I147-F175 HydrophobicContact CD1-CZ 4.27Å; I147-L176 HydrophobicContact CD1-CD2 3.81Å; I147-Q179 HydrophobicContact CD1-CB 4.41Å; I147-Q179 HydrophobicContact CD1-CG 4.05Å; I147-Q179 HydrophobicContact CG2-CG 4.26Å; I147-F183 HydrophobicContact CG2-CE2 3.7Å; I147-F183 HydrophobicContact CG2-CZ 4.25Å
148	K	97.5	Very high	96.2	Very high	187 Å²	187	43.6 Å²	43.6	81%	0.813	23%	0.227	S	C	*	.	H	α-helix	trans	-61.9	-23.2	172.6	-179.6	-178.7	174.7	-171.4	0	113	Q144 L145 L146	Q144-K148 WeakPolarHBondContact O-CB 3.34Å; Q144-K148 PolarHBondContact O-N 3.27Å; Q144-K148 VanDerWaalsContact O-N 3.14Å; L145-K148 PolarHBondContact O-N 3.32Å; L146-K148 VanDerWaalsContact C-N 3.32Å; L146-K148 PolarHBondContact O-N 3.29Å
149	R	97.9	Very high	95.5	Very high	85 Å²	85	46.7 Å²	46.7	32%	0.321	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	1.1	178.3	-64.7	-94.8	-166.5	165.8	1.9	113.3	N111 L114 N115 V120 L145 L146 I147	N111-R149 PolarHBondContact OD1-NH2 3.08Å; L114-R149 VanDerWaalsContact C-NH1 3.31Å; L114-R149 HydrophobicContact CD1-CB 4.5Å; L114-R149 HydrophobicContact CD1-CG 4.05Å; L114-R149 HydrophobicContact CD2-CB 4.42Å; L114-R149 PolarHBondContact O-NH1 3.41Å; N115-R149 VanDerWaalsContact OD1-CZ 3.28Å; N115-R149 PolarHBondContact OD1-NH1 3.13Å; N115-R149 PolarHBondContact OD1-NH2 2.78Å; V120-R149 HydrophobicContact CG2-CB 4.13Å; L145-R149 HydrophobicContact CD1-CG 4.07Å; L145-R149 WeakPolarHBondContact O-CG 3.1Å; L145-R149 PolarHBondContact O-N 3.39Å; L145-R149 VanDerWaalsContact O-N 3.09Å; L146-R149 CarbonylContact O-C 3.6Å; L146-R149 WeakPolarHBondContact O-CA 3.22Å; L146-R149 WeakPolarHBondContact O-CB 3.36Å; L146-R149 PolarHBondContact O-N 2.99Å; I147-R149 PolarHBondContact O-N 3.22Å
150	G	96.9	Very high	95	Very high	46 Å²	46	44.8 Å²	44.8	47%	0.474	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.1	25.7	177.9	0	0	0	0	0	115	N121 L146 I147 D152	N121-G150 PolarHBondContact ND2-O 3.22Å; L146-G150 PolarHBondContact O-N 3.38Å; L146-G150 VanDerWaalsContact O-N 3.16Å; I147-G150 PolarHBondContact O-N 3.36Å; I147-G150 VanDerWaalsContact O-N 3.11Å; G150-D152 PolarHBondContact O-N 3.47Å
151	A	98	Very high	94.8	Very high	10 Å²	10	44.2 Å²	44.2	8%	0.083	24%	0.235	C	C	.	.			trans	-59.6	134.2	169.2	0	0	0	0	0	111.5	V120 N121 L131 L146 I147	V120-A151 HydrophobicContact CG2-CB 3.83Å; N121-A151 VanDerWaalsContact OD1-CA 3.3Å; N121-A151 WeakPolarHBondContact OD1-CA 3.37Å; L131-A151 HydrophobicContact CB-CB 4.16Å; L131-A151 HydrophobicContact CD2-CB 3.85Å; L131-A151 HydrophobicContact CG-CB 4.47Å; L146-A151 VanDerWaalsContact C-CB 3.45Å; L146-A151 HydrophobicContact CB-CB 3.88Å; L146-A151 VanDerWaalsContact O-CB 3.31Å; L146-A151 WeakPolarHBondContact O-CB 3.42Å; L146-A151 PolarHBondContact O-N 3.23Å; I147-A151 HydrophobicContact CG1-CB 4.41Å
152	D	96.9	Very high	94.7	Very high	63 Å²	63	37.4 Å²	37.4	34%	0.337	20%	0.203	S	C	.	.			trans	-78.9	122.1	178.3	-178.3	14.1	0	0	0	110.8	N121 G150 K154 A155	N121-D152 PolarHBondContact OD1-N 3.41Å; G150-D152 PolarHBondContact O-N 3.47Å; D152-K154 PolarHBondContact OD1-N 3.13Å; D152-A155 HydrophobicContact CB-CB 4.06Å; D152-A155 PolarHBondContact OD2-N 3.3Å
153	L	96.9	Very high	94.6	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.042	20%	0.204	C	C	.	.	S	Bend	trans	-82.8	-16.1	177.8	-77.5	159.9	0	0	0	113	L131 I147 L176 Q179 M180 F183 I185	L131-L153 HydrophobicContact CD2-CD2 4.05Å; L131-L153 HydrophobicContact CD2-CG 4.47Å; I147-L153 HydrophobicContact CD1-CD2 3.84Å; I147-L153 HydrophobicContact CD1-CG 4.45Å; I147-L153 HydrophobicContact CG1-CD2 4.31Å; I147-L153 HydrophobicContact CG1-CG 4.48Å; I147-L153 HydrophobicContact CG2-CD1 4.45Å; L153-L176 HydrophobicContact CD2-CD2 3.91Å; L153-Q179 HydrophobicContact CD1-CB 3.82Å; L153-M180 HydrophobicContact CB-CG 4.18Å; L153-M180 HydrophobicContact CD1-CG 4.27Å; L153-M180 HydrophobicContact CD2-CG 4.18Å; L153-M180 HydrophobicContact CG-CG 4.45Å; L153-F183 HydrophobicContact CD1-CD2 3.72Å; L153-F183 HydrophobicContact CD1-CE2 4.14Å; L153-I185 HydrophobicContact CB-CD1 3.59Å; L153-I185 HydrophobicContact CD1-CD1 4.06Å; L153-I185 HydrophobicContact CG-CD1 4.48Å
154	K	95.5	Very high	94.5	Very high	58 Å²	58	41.2 Å²	41.2	25%	0.252	22%	0.218	S	C	.	.	S	Bend	trans	-97.6	-1.4	177	-43.4	-166.9	-162.1	-169.1	0	112.8	D152 C156 I185 D189 A193	D152-K154 PolarHBondContact OD1-N 3.13Å; K154-C156 PolarHBondContact O-N 3.05Å; K154-C156 VanDerWaalsContact O-N 3.11Å; K154-I185 HydrophobicContact CD-CG2 4.01Å; K154-I185 HydrophobicContact CG-CD1 4.02Å; K154-I185 HydrophobicContact CG-CG2 3.93Å; K154-D189 HydrophobicContact CD-CB 4.01Å; K154-D189 VanDerWaalsContact NZ-CB 3.26Å; K154-D189 IonicContact NZ-OD1 3.6Å; K154-D189 PolarHBondContact NZ-OD1 3.12Å; K154-D189 VanDerWaalsContact NZ-OD1 3.12Å; K154-D189 IonicContact NZ-OD2 3.97Å; K154-D189 PolarHBondContact NZ-OD2 2.71Å; K154-A193 HydrophobicContact CB-CB 4.16Å; K154-A193 WeakPolarHBondContact O-CB 3.5Å
155	A	95.1	Very high	94.3	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.017	21%	0.214	C	C	.	.			trans	-64	114.8	179.2	0	0	0	0	0	109.6	T129 H132 D152	T129-A155 HydrophobicContact CG2-CB 4.04Å; H132-A155 PolarHBondContact CE1-O 3.36Å; H132-A155 PolarHBondContact NE2-O 2.68Å; D152-A155 HydrophobicContact CB-CB 4.06Å; D152-A155 PolarHBondContact OD2-N 3.3Å
156	C	90.8	Very high	94.1	Very high	13 Å²	13	39.9 Å²	39.9	9%	0.088	21%	0.214	C	C	.	.			trans	-87	142.3	171.7	-53.2	0	0	0	0	111.3	R123 K154 L161	R123-C156 PolarHBondContact NH1-O 2.77Å; K154-C156 PolarHBondContact O-N 3.05Å; K154-C156 VanDerWaalsContact O-N 3.11Å; C156-L161 WeakPolarHBondContact CA-O 3.32Å
157	N	89.9	Confident	93.9	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.032	22%	0.218	C	C	.	.			trans	-76.2	-173.3	165.7	83.7	-19.7	0	0	0	111.5	W128 D159 G160 L161	W128-N157 HydrophobicContact CG-CB 4.38Å; W128-N157 PolarHBondContact NE1-ND2 2.87Å; N157-D159 PolarHBondContact ND2-OD2 3.2Å; N157-D159 PolarHBondContact O-N 2.92Å; N157-D159 WeakPolarHBondContact OD1-CA 3.47Å; N157-D159 WeakPolarHBondContact OD1-CB 3.18Å; N157-D159 PolarHBondContact OD1-N 3.33Å; N157-G160 PolarHBondContact O-N 2.92Å; N157-G160 PolarHBondContact OD1-N 3.29Å; N157-L161 PolarHBondContact N-O 3.01Å; N157-L161 PolarHBondContact OD1-N 2.84Å; N157-L161 PolarHBondContact OD1-O 3.09Å
158	A	86.6	Confident	93.7	Very high	42 Å²	42	47.3 Å²	47.3	35%	0.347	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.9	178.2	0	0	0	0	0	115	D126 G160 R559	D126-A158 HydrophobicContact CB-CB 4.22Å; D126-A158 VanDerWaalsContact O-CB 3.29Å; D126-A158 WeakPolarHBondContact O-CB 3.41Å; D126-A158 PolarHBondContact O-N 3.11Å; A158-G160 VanDerWaalsContact C-N 3.33Å; A158-R559 VanDerWaalsContact CB-NH2 3.29Å
159	D	82.2	Confident	93.6	Very high	84 Å²	84	41 Å²	41	45%	0.449	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	1.9	178.9	-49.8	-72	0	0	0	113.1	N157 L161	N157-D159 PolarHBondContact ND2-OD2 3.2Å; N157-D159 PolarHBondContact O-N 2.92Å; N157-D159 WeakPolarHBondContact OD1-CA 3.47Å; N157-D159 WeakPolarHBondContact OD1-CB 3.18Å; N157-D159 PolarHBondContact OD1-N 3.33Å; D159-L161 VanDerWaalsContact C-N 3.26Å; D159-L161 HydrophobicContact CB-CD1 3.97Å; D159-L161 HydrophobicContact CB-CG 3.89Å; D159-L161 PolarHBondContact O-N 3.09Å
160	G	87.5	Confident	93.6	Very high	23 Å²	23	43.7 Å²	43.7	24%	0.237	25%	0.246	C	C	.	.	S	Bend	trans	75.6	11.2	-173.1	0	0	0	0	0	114.4	N157 A158 R194	N157-G160 PolarHBondContact O-N 2.92Å; N157-G160 PolarHBondContact OD1-N 3.29Å; A158-G160 VanDerWaalsContact C-N 3.33Å; G160-R194 WeakPolarHBondContact O-CD 3.39Å; G160-R194 WeakPolarHBondContact O-CG 3.44Å; G160-R194 PolarHBondContact O-NE 3.1Å
161	L	92.1	Very high	93.6	Very high	38 Å²	38	48 Å²	48	20%	0.199	25%	0.252	C	S	.	.			trans	-90.1	137.2	-178.8	-57.3	176.7	0	0	0	110.4	H132 C156 N157 D159 D165 I166	H132-L161 PolarHBondContact NE2-O 2.9Å; C156-L161 WeakPolarHBondContact CA-O 3.32Å; N157-L161 PolarHBondContact N-O 3.01Å; N157-L161 PolarHBondContact OD1-N 2.84Å; N157-L161 PolarHBondContact OD1-O 3.09Å; D159-L161 VanDerWaalsContact C-N 3.26Å; D159-L161 HydrophobicContact CB-CD1 3.97Å; D159-L161 HydrophobicContact CB-CG 3.89Å; D159-L161 PolarHBondContact O-N 3.09Å; L161-D165 WeakPolarHBondContact CA-OD2 3.43Å; L161-D165 HydrophobicContact CB-CB 4.07Å; L161-D165 HydrophobicContact CD2-CB 3.96Å; L161-I166 HydrophobicContact CB-CG2 3.95Å; L161-I166 HydrophobicContact CD1-CG2 3.69Å; L161-I166 HydrophobicContact CG-CG2 4.45Å
162	I	95.1	Very high	93.6	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	25%	0.248	C	C	.	.			trans	-91.4	166.1	170.1	59.4	159	0	0	0	110.8	Y164 D165 M180 I190	I162-Y164 PolarHBondContact O-N 3.28Å; I162-D165 HydrophobicContact CG1-CB 4.47Å; I162-D165 VanDerWaalsContact CG1-OD2 3.28Å; I162-D165 WeakPolarHBondContact CG1-OD2 3.11Å; I162-D165 PolarHBondContact N-OD2 3.2Å; I162-D165 WeakPolarHBondContact O-CB 3.17Å; I162-D165 PolarHBondContact O-N 3.45Å; I162-M180 HydrophobicContact CD1-CE 3.48Å; I162-M180 VanDerWaalsContact CD1-CE 3.48Å; I162-M180 HydrophobicContact CD1-SD 4.25Å; I162-I190 HydrophobicContact CD1-CD1 4.09Å; I162-I190 HydrophobicContact CD1-CG1 4.41Å; I162-I190 HydrophobicContact CD1-CG2 4.13Å; I162-I190 HydrophobicContact CG1-CG2 4.48Å; I162-I190 HydrophobicContact CG2-CG2 4.09Å
163	P	96	Very high	93.6	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-21.4	-177.5	-27.5	35.2	0	0	0	115.7	L131 S135	L131-P163 HydrophobicContact CB-CG 4.27Å; L131-P163 HydrophobicContact CD2-CB 4.26Å; L131-P163 HydrophobicContact CD2-CG 4.01Å; L131-P163 HydrophobicContact CG-CB 3.88Å; L131-P163 HydrophobicContact CG-CG 3.9Å; S135-P163 WeakPolarHBondContact CB-O 3.23Å
164	Y	96.4	Very high	93.6	Very high	78 Å²	78	49.6 Å²	49.6	31%	0.306	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-39.6	172.3	170.7	-99.5	0	0	0	112.8	I162 I166 C167 L176 Q177 M180	I162-Y164 PolarHBondContact O-N 3.28Å; Y164-I166 PolarHBondContact O-N 2.81Å; Y164-C167 WeakPolarHBondContact O-CB 3.43Å; Y164-C167 PolarHBondContact O-N 3.2Å; Y164-L176 HydrophobicContact CD2-CB 4.24Å; Y164-Q177 HydrophobicContact CD2-CB 4.12Å; Y164-Q177 HydrophobicContact CE2-CB 3.77Å; Y164-Q177 HydrophobicContact CE2-CG 4.32Å; Y164-Q177 PolarHBondContact OH-NE2 2.79Å; Y164-M180 HydrophobicContact CG-SD 4.32Å
165	D	94.2	Very high	93.7	Very high	59 Å²	59	48.5 Å²	48.5	32%	0.316	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-19.9	-173.8	-58.3	-26.2	0	0	0	112.8	L161 I162 R194	L161-D165 WeakPolarHBondContact CA-OD2 3.43Å; L161-D165 HydrophobicContact CB-CB 4.07Å; L161-D165 HydrophobicContact CD2-CB 3.96Å; I162-D165 HydrophobicContact CG1-CB 4.47Å; I162-D165 VanDerWaalsContact CG1-OD2 3.28Å; I162-D165 WeakPolarHBondContact CG1-OD2 3.11Å; I162-D165 PolarHBondContact N-OD2 3.2Å; I162-D165 WeakPolarHBondContact O-CB 3.17Å; I162-D165 PolarHBondContact O-N 3.45Å; D165-R194 IonicContact OD1-NH2 2.71Å; D165-R194 IonicContact OD2-CZ 3.2Å; D165-R194 IonicContact OD2-NH2 2.8Å; D165-R194 PolarHBondContact OD2-NH2 2.77Å
166	I	93.4	Very high	93.9	Very high	22 Å²	22	48.4 Å²	48.4	11%	0.113	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	13.4	-178.4	59.4	165.6	0	0	0	113.5	W128 H132 T136 L161 Y164	W128-I166 HydrophobicContact CE3-CD1 4.28Å; W128-I166 HydrophobicContact CH2-CD1 3.61Å; W128-I166 HydrophobicContact CZ2-CD1 4.3Å; W128-I166 HydrophobicContact CZ3-CD1 3.6Å; H132-I166 HydrophobicContact CB-CD1 3.7Å; T136-I166 WeakPolarHBondContact CA-O 3.29Å; L161-I166 HydrophobicContact CB-CG2 3.95Å; L161-I166 HydrophobicContact CD1-CG2 3.69Å; L161-I166 HydrophobicContact CG-CG2 4.45Å; Y164-I166 PolarHBondContact O-N 2.81Å
167	C	95.4	Very high	94.1	Very high	12 Å²	12	51.3 Å²	51.3	8%	0.081	27%	0.267	C	S	.	.			trans	-106.1	92.7	-169.6	-168.5	0	0	0	0	112.8	S135 Y164 D169 T172 L176	S135-C167 PolarHBondContact O-SG 3Å; Y164-C167 WeakPolarHBondContact O-CB 3.43Å; Y164-C167 PolarHBondContact O-N 3.2Å; C167-D169 VanDerWaalsContact C-N 3.33Å; C167-D169 PolarHBondContact O-N 3.01Å; C167-T172 VanDerWaalsContact SG-CB 3.53Å; C167-T172 VanDerWaalsContact SG-CG2 3.51Å; C167-L176 HydrophobicContact CB-CD1 4.02Å
168	D	93.4	Very high	94.5	Very high	156 Å²	156	54.1 Å²	54.1	83%	0.834	29%	0.287	S	S	*	.			trans	-71	-18.5	-177.9	-70	-27.5	0	0	0	114.8	E170	D168-E170 PolarHBondContact O-N 3.24Å
169	D	96	Very high	95	Very high	54 Å²	54	53.1 Å²	53.1	29%	0.289	28%	0.276	S	S	.	.			trans	-81.2	113.1	176.3	173.6	66.5	0	0	0	111.2	C167 K171 T172 S173	C167-D169 VanDerWaalsContact C-N 3.33Å; C167-D169 PolarHBondContact O-N 3.01Å; D169-K171 PolarHBondContact O-N 3.29Å; D169-K171 VanDerWaalsContact O-N 3.1Å; D169-K171 PolarHBondContact OD2-N 3.04Å; D169-T172 PolarHBondContact O-N 2.93Å; D169-T172 VanDerWaalsContact OD2-CB 3.29Å; D169-T172 WeakPolarHBondContact OD2-CB 3.26Å; D169-T172 PolarHBondContact OD2-N 3.24Å; D169-T172 PolarHBondContact OD2-OG1 3.43Å; D169-S173 PolarHBondContact O-N 2.87Å; D169-S173 PolarHBondContact O-OG 3.15Å
170	E	96.6	Very high	95.7	Very high	142 Å²	142	49.8 Å²	49.8	66%	0.664	26%	0.258	S	S	*	.	H	α-helix	trans	-44.6	-41.8	177.5	-175.3	-177.1	-150.4	0	0	113.1	D168 S173 D174	D168-E170 PolarHBondContact O-N 3.24Å; E170-S173 WeakPolarHBondContact CA-OG 3.5Å; E170-S173 PolarHBondContact O-OG 2.97Å; E170-D174 WeakPolarHBondContact O-CB 3.31Å; E170-D174 PolarHBondContact O-N 3.49Å
171	K	97.5	Very high	96.1	Very high	135 Å²	135	55.2 Å²	55.2	59%	0.587	28%	0.277	S	S	*	.	H	α-helix	trans	-76.6	-30.7	-176.8	-59.4	172.5	-165.2	113.3	0	112.8	D169 F175	D169-K171 PolarHBondContact O-N 3.29Å; D169-K171 VanDerWaalsContact O-N 3.1Å; D169-K171 PolarHBondContact OD2-N 3.04Å; K171-F175 VanDerWaalsContact O-CB 3.29Å; K171-F175 WeakPolarHBondContact O-CB 3.26Å; K171-F175 PolarHBondContact O-N 3.41Å
172	T	97.4	Very high	96.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-81	-41.7	179.2	-56.3	0	0	0	0	110.1	G138 C143 C167 D169 F175 L176	G138-T172 PolarHBondContact O-OG1 3.18Å; C143-T172 HydrophobicContact CB-CG2 4.38Å; C167-T172 VanDerWaalsContact SG-CB 3.53Å; C167-T172 VanDerWaalsContact SG-CG2 3.51Å; D169-T172 PolarHBondContact O-N 2.93Å; D169-T172 VanDerWaalsContact OD2-CB 3.29Å; D169-T172 WeakPolarHBondContact OD2-CB 3.26Å; D169-T172 PolarHBondContact OD2-N 3.24Å; D169-T172 PolarHBondContact OD2-OG1 3.43Å; T172-F175 PolarHBondContact O-N 2.68Å; T172-L176 HydrophobicContact CG2-CD1 4.27Å; T172-L176 WeakPolarHBondContact O-CB 3.49Å; T172-L176 VanDerWaalsContact O-CG 3.23Å; T172-L176 WeakPolarHBondContact O-CG 3.41Å; T172-L176 PolarHBondContact O-N 2.97Å
173	S	97	Very high	96.3	Very high	21 Å²	21	65.9 Å²	65.9	15%	0.147	32%	0.321	C	S	.	.	H	α-helix	trans	-64.4	-45.1	172.6	50.7	0	0	0	0	112.4	D169 E170 F175 L176 Q177	D169-S173 PolarHBondContact O-N 2.87Å; D169-S173 PolarHBondContact O-OG 3.15Å; E170-S173 WeakPolarHBondContact CA-OG 3.5Å; E170-S173 PolarHBondContact O-OG 2.97Å; S173-F175 VanDerWaalsContact C-N 3.27Å; S173-F175 PolarHBondContact O-N 2.92Å; S173-L176 PolarHBondContact O-N 3.04Å; S173-Q177 WeakPolarHBondContact O-CB 3.48Å; S173-Q177 PolarHBondContact O-N 3.17Å
174	D	97.8	Very high	96.3	Very high	95 Å²	95	68.5 Å²	68.5	51%	0.508	35%	0.349	S	S	.	.	H	α-helix	trans	-52.6	-44.8	169.8	-94.4	-4.6	0	0	0	111.8	E170 S178	E170-D174 WeakPolarHBondContact O-CB 3.31Å; E170-D174 PolarHBondContact O-N 3.49Å; D174-S178 WeakPolarHBondContact O-CB 3.32Å; D174-S178 PolarHBondContact O-N 3.14Å; D174-S178 PolarHBondContact O-OG 3.29Å
175	F	98.1	Very high	96.2	Very high	35 Å²	35	65.9 Å²	65.9	15%	0.154	34%	0.34	C	S	.	.	H	α-helix	trans	-68.6	-42.8	-179.2	166.2	-102.3	0	0	0	112.4	L140 C143 Q144 I147 K171 T172 S173 S178 Q179	L140-F175 HydrophobicContact CD1-CB 3.53Å; L140-F175 HydrophobicContact CD1-CD1 3.51Å; L140-F175 HydrophobicContact CD1-CD2 4.22Å; L140-F175 HydrophobicContact CD1-CE1 4.31Å; L140-F175 HydrophobicContact CD1-CG 3.46Å; L140-F175 VanDerWaalsContact CD1-CG 3.46Å; C143-F175 HydrophobicContact CB-CD1 4.44Å; C143-F175 HydrophobicContact CB-CE1 4.16Å; Q144-F175 HydrophobicContact CB-CE1 4.46Å; Q144-F175 HydrophobicContact CB-CZ 4.16Å; Q144-F175 HydrophobicContact CG-CD1 4.36Å; Q144-F175 HydrophobicContact CG-CD2 4.37Å; Q144-F175 HydrophobicContact CG-CE1 3.66Å; Q144-F175 HydrophobicContact CG-CE2 3.68Å; Q144-F175 HydrophobicContact CG-CZ 3.3Å; I147-F175 HydrophobicContact CD1-CE1 3.83Å; I147-F175 HydrophobicContact CD1-CZ 4.27Å; K171-F175 VanDerWaalsContact O-CB 3.29Å; K171-F175 WeakPolarHBondContact O-CB 3.26Å; K171-F175 PolarHBondContact O-N 3.41Å; T172-F175 PolarHBondContact O-N 2.68Å; S173-F175 VanDerWaalsContact C-N 3.27Å; S173-F175 PolarHBondContact O-N 2.92Å; F175-S178 WeakPolarHBondContact O-CB 3.34Å; F175-S178 PolarHBondContact O-N 2.72Å; F175-Q179 HydrophobicContact CD2-CG 4.29Å; F175-Q179 HydrophobicContact CE1-CG 4.06Å; F175-Q179 VanDerWaalsContact CE2-CD 3.49Å; F175-Q179 HydrophobicContact CE2-CG 3.68Å; F175-Q179 VanDerWaalsContact CE2-NE2 3.29Å; F175-Q179 HydrophobicContact CZ-CG 3.52Å; F175-Q179 WeakPolarHBondContact O-CG 3.34Å; F175-Q179 PolarHBondContact O-N 2.87Å; F175-Q179 PolarHBondContact O-NE2 3.06Å
176	L	97.6	Very high	96.2	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61.6	-51.5	176.1	-71.7	168.3	0	0	0	110.4	L131 I147 L153 Y164 C167 T172 S173 S178 Q179 M180	L131-L176 HydrophobicContact CD1-CD2 4.3Å; I147-L176 HydrophobicContact CD1-CD2 3.81Å; L153-L176 HydrophobicContact CD2-CD2 3.91Å; Y164-L176 HydrophobicContact CD2-CB 4.24Å; C167-L176 HydrophobicContact CB-CD1 4.02Å; T172-L176 HydrophobicContact CG2-CD1 4.27Å; T172-L176 WeakPolarHBondContact O-CB 3.49Å; T172-L176 VanDerWaalsContact O-CG 3.23Å; T172-L176 WeakPolarHBondContact O-CG 3.41Å; T172-L176 PolarHBondContact O-N 2.97Å; S173-L176 PolarHBondContact O-N 3.04Å; L176-S178 VanDerWaalsContact C-N 3.26Å; L176-S178 PolarHBondContact O-N 2.92Å; L176-Q179 WeakPolarHBondContact O-CA 3.43Å; L176-Q179 PolarHBondContact O-N 3.14Å; L176-M180 WeakPolarHBondContact O-CG 3.47Å; L176-M180 PolarHBondContact O-N 3.26Å
177	Q	96.7	Very high	96.1	Very high	73 Å²	73	68.4 Å²	68.4	34%	0.341	36%	0.361	S	S	.	.	H	α-helix	trans	-57	-41.2	175.1	-166.3	-170	89.6	0	0	111.4	Y164 S173 Q179 M180 H181	Y164-Q177 HydrophobicContact CD2-CB 4.12Å; Y164-Q177 HydrophobicContact CE2-CB 3.77Å; Y164-Q177 HydrophobicContact CE2-CG 4.32Å; Y164-Q177 PolarHBondContact OH-NE2 2.79Å; S173-Q177 WeakPolarHBondContact O-CB 3.48Å; S173-Q177 PolarHBondContact O-N 3.17Å; Q177-Q179 VanDerWaalsContact C-N 3.34Å; Q177-Q179 PolarHBondContact O-N 3.38Å; Q177-M180 PolarHBondContact O-N 2.96Å; Q177-H181 PolarHBondContact O-N 3.3Å; Q177-H181 VanDerWaalsContact O-N 3.08Å; Q177-H181 PolarHBondContact O-ND1 2.86Å
178	S	97.1	Very high	96.1	Very high	65 Å²	65	74.1 Å²	74.1	46%	0.455	39%	0.387	S	S	.	.	H	α-helix	trans	-65.3	-32.5	174.7	-65.1	0	0	0	0	113.2	D174 F175 L176 K182	D174-S178 WeakPolarHBondContact O-CB 3.32Å; D174-S178 PolarHBondContact O-N 3.14Å; D174-S178 PolarHBondContact O-OG 3.29Å; F175-S178 WeakPolarHBondContact O-CB 3.34Å; F175-S178 PolarHBondContact O-N 2.72Å; L176-S178 VanDerWaalsContact C-N 3.26Å; L176-S178 PolarHBondContact O-N 2.92Å; S178-K182 WeakPolarHBondContact O-CB 3.46Å; S178-K182 PolarHBondContact O-N 2.65Å
179	Q	97.4	Very high	96.1	Very high	22 Å²	22	68.7 Å²	68.7	10%	0.103	36%	0.358	C	S	.	.	H	α-helix	trans	-73.3	-41.2	173.2	-64.2	-33.4	-83.6	0	0	111.3	I147 L153 F175 L176 Q177 H181 K182 F183	I147-Q179 HydrophobicContact CD1-CB 4.41Å; I147-Q179 HydrophobicContact CD1-CG 4.05Å; I147-Q179 HydrophobicContact CG2-CG 4.26Å; L153-Q179 HydrophobicContact CD1-CB 3.82Å; F175-Q179 HydrophobicContact CD2-CG 4.29Å; F175-Q179 HydrophobicContact CE1-CG 4.06Å; F175-Q179 VanDerWaalsContact CE2-CD 3.49Å; F175-Q179 HydrophobicContact CE2-CG 3.68Å; F175-Q179 VanDerWaalsContact CE2-NE2 3.29Å; F175-Q179 HydrophobicContact CZ-CG 3.52Å; F175-Q179 WeakPolarHBondContact O-CG 3.34Å; F175-Q179 PolarHBondContact O-N 2.87Å; F175-Q179 PolarHBondContact O-NE2 3.06Å; L176-Q179 WeakPolarHBondContact O-CA 3.43Å; L176-Q179 PolarHBondContact O-N 3.14Å; Q177-Q179 VanDerWaalsContact C-N 3.34Å; Q177-Q179 PolarHBondContact O-N 3.38Å; Q179-H181 PolarHBondContact O-N 3.08Å; Q179-K182 CarbonylContact O-C 3.56Å; Q179-K182 WeakPolarHBondContact O-CB 3.04Å; Q179-K182 PolarHBondContact O-N 3.04Å; Q179-K182 VanDerWaalsContact O-N 3.14Å; Q179-F183 HydrophobicContact CB-CD2 4.26Å; Q179-F183 HydrophobicContact CB-CE2 4.3Å; Q179-F183 WeakPolarHBondContact O-CD2 3.47Å; Q179-F183 PolarHBondContact O-N 2.9Å
180	M	96.5	Very high	95.9	Very high	14 Å²	14	67 Å²	67	7%	0.069	35%	0.349	C	S	.	.	H	α-helix	trans	-56.5	-52.3	177.4	-67.3	158.4	69.8	0	0	111	L153 I162 Y164 L176 Q177 K182 F183 G184 I185 I190	L153-M180 HydrophobicContact CB-CG 4.18Å; L153-M180 HydrophobicContact CD1-CG 4.27Å; L153-M180 HydrophobicContact CD2-CG 4.18Å; L153-M180 HydrophobicContact CG-CG 4.45Å; I162-M180 HydrophobicContact CD1-CE 3.48Å; I162-M180 VanDerWaalsContact CD1-CE 3.48Å; I162-M180 HydrophobicContact CD1-SD 4.25Å; Y164-M180 HydrophobicContact CG-SD 4.32Å; L176-M180 WeakPolarHBondContact O-CG 3.47Å; L176-M180 PolarHBondContact O-N 3.26Å; Q177-M180 PolarHBondContact O-N 2.96Å; M180-K182 VanDerWaalsContact C-N 3.33Å; M180-K182 PolarHBondContact O-N 3.24Å; M180-F183 PolarHBondContact O-N 3.09Å; M180-G184 PolarHBondContact O-N 3.31Å; M180-G184 VanDerWaalsContact O-N 3.12Å; M180-I185 HydrophobicContact CB-CB 4.14Å; M180-I185 HydrophobicContact CB-CD1 4.39Å; M180-I185 HydrophobicContact CG-CD1 4.26Å; M180-I185 PolarHBondContact O-N 3.11Å; M180-I190 HydrophobicContact CE-CD1 3.42Å; M180-I190 VanDerWaalsContact CE-CD1 3.42Å; M180-I190 HydrophobicContact CE-CG1 4.39Å
181	H	95.8	Very high	95.7	Very high	137 Å²	137	65 Å²	65	63%	0.634	34%	0.34	S	S	*	.	H	α-helix	trans	-57.1	-43.1	173.8	-74.6	91	0	0	0	112.9	Q177 Q179 F183 G184	Q177-H181 PolarHBondContact O-N 3.3Å; Q177-H181 VanDerWaalsContact O-N 3.08Å; Q177-H181 PolarHBondContact O-ND1 2.86Å; Q179-H181 PolarHBondContact O-N 3.08Å; H181-F183 VanDerWaalsContact C-N 3.33Å; H181-F183 PolarHBondContact O-N 2.81Å; H181-G184 PolarHBondContact O-N 2.76Å; H181-G184 VanDerWaalsContact O-N 3.1Å
182	K	96.5	Very high	95.4	Very high	141 Å²	141	65 Å²	65	61%	0.613	34%	0.342	S	S	*	.	H	α-helix	trans	-67	-30.5	179.8	170.3	-174.4	150.1	-157.1	0	113.3	S178 Q179 M180 G184	S178-K182 WeakPolarHBondContact O-CB 3.46Å; S178-K182 PolarHBondContact O-N 2.65Å; Q179-K182 CarbonylContact O-C 3.56Å; Q179-K182 WeakPolarHBondContact O-CB 3.04Å; Q179-K182 PolarHBondContact O-N 3.04Å; Q179-K182 VanDerWaalsContact O-N 3.14Å; M180-K182 VanDerWaalsContact C-N 3.33Å; M180-K182 PolarHBondContact O-N 3.24Å; K182-G184 VanDerWaalsContact C-N 3.31Å
183	F	95.6	Very high	95.1	Very high	121 Å²	121	66.5 Å²	66.5	53%	0.531	35%	0.354	S	S	.	.	H	α-helix	trans	-86.2	-2.1	173.1	-74.5	-66.1	0	0	0	113.2	I147 L153 Q179 M180 H181 I185	I147-F183 HydrophobicContact CG2-CE2 3.7Å; I147-F183 HydrophobicContact CG2-CZ 4.25Å; L153-F183 HydrophobicContact CD1-CD2 3.72Å; L153-F183 HydrophobicContact CD1-CE2 4.14Å; Q179-F183 HydrophobicContact CB-CD2 4.26Å; Q179-F183 HydrophobicContact CB-CE2 4.3Å; Q179-F183 WeakPolarHBondContact O-CD2 3.47Å; Q179-F183 PolarHBondContact O-N 2.9Å; M180-F183 PolarHBondContact O-N 3.09Å; H181-F183 VanDerWaalsContact C-N 3.33Å; H181-F183 PolarHBondContact O-N 2.81Å; F183-I185 VanDerWaalsContact C-N 3.34Å; F183-I185 HydrophobicContact CB-CD1 4.25Å; F183-I185 HydrophobicContact CB-CG1 4.02Å
184	G	95.2	Very high	94.7	Very high	56 Å²	56	69.3 Å²	69.3	58%	0.577	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	23.7	-179.2	0	0	0	0	0	113.7	M180 H181 K182 S186	M180-G184 PolarHBondContact O-N 3.31Å; M180-G184 VanDerWaalsContact O-N 3.12Å; H181-G184 PolarHBondContact O-N 2.76Å; H181-G184 VanDerWaalsContact O-N 3.1Å; K182-G184 VanDerWaalsContact C-N 3.31Å; G184-S186 PolarHBondContact O-N 2.65Å
185	I	95.3	Very high	94.4	Very high	24 Å²	24	66.5 Å²	66.5	12%	0.123	35%	0.349	C	S	.	.			trans	-74.8	117.2	177.4	-53.4	-178.7	0	0	0	108.5	L153 K154 M180 F183 D189 I190	L153-I185 HydrophobicContact CB-CD1 3.59Å; L153-I185 HydrophobicContact CD1-CD1 4.06Å; L153-I185 HydrophobicContact CG-CD1 4.48Å; K154-I185 HydrophobicContact CD-CG2 4.01Å; K154-I185 HydrophobicContact CG-CD1 4.02Å; K154-I185 HydrophobicContact CG-CG2 3.93Å; M180-I185 HydrophobicContact CB-CB 4.14Å; M180-I185 HydrophobicContact CB-CD1 4.39Å; M180-I185 HydrophobicContact CG-CD1 4.26Å; M180-I185 PolarHBondContact O-N 3.11Å; F183-I185 VanDerWaalsContact C-N 3.34Å; F183-I185 HydrophobicContact CB-CD1 4.25Å; F183-I185 HydrophobicContact CB-CG1 4.02Å; I185-D189 WeakPolarHBondContact CA-OD2 3.49Å; I185-D189 HydrophobicContact CG2-CB 4.16Å; I185-I190 HydrophobicContact CG2-CD1 4.41Å; I185-I190 HydrophobicContact CG2-CG1 4Å
186	S	94	Very high	94	Very high	37 Å²	37	67.2 Å²	67.2	26%	0.259	36%	0.362	S	S	.	.			trans	-91.2	166.5	178.8	86.5	0	0	0	0	112.1	G184 E188 D189 I190	G184-S186 PolarHBondContact O-N 2.65Å; S186-E188 VanDerWaalsContact C-N 3.26Å; S186-E188 WeakPolarHBondContact CB-OE2 3.34Å; S186-E188 PolarHBondContact O-N 2.96Å; S186-E188 PolarHBondContact OG-N 3.33Å; S186-E188 PolarHBondContact OG-OE2 2.78Å; S186-D189 PolarHBondContact N-OD2 2.88Å; S186-D189 WeakPolarHBondContact O-CB 3.06Å; S186-D189 PolarHBondContact O-N 2.67Å; S186-D189 PolarHBondContact OG-N 2.9Å; S186-I190 WeakPolarHBondContact O-CG1 3.35Å; S186-I190 PolarHBondContact O-N 2.87Å
187	P	91.9	Very high	93.5	Very high	96 Å²	96	70.2 Å²	70.2	62%	0.623	38%	0.381	S	S	*	.	H	α-helix	trans	-59.6	-36.9	171.1	-23.9	35.6	0	0	0	112.8	I190 E191	P187-I190 WeakPolarHBondContact O-CB 3.11Å; P187-I190 PolarHBondContact O-N 3Å; P187-E191 PolarHBondContact O-N 3.24Å; P187-E191 VanDerWaalsContact O-N 3.12Å
188	E	94.1	Very high	93.2	Very high	133 Å²	133	68.1 Å²	68.1	62%	0.621	37%	0.371	S	S	*	.	H	α-helix	trans	-66.6	-37	179.3	-53.2	77.7	-169.7	0	0	111.8	S186 I190 E191 E192	S186-E188 VanDerWaalsContact C-N 3.26Å; S186-E188 WeakPolarHBondContact CB-OE2 3.34Å; S186-E188 PolarHBondContact O-N 2.96Å; S186-E188 PolarHBondContact OG-N 3.33Å; S186-E188 PolarHBondContact OG-OE2 2.78Å; E188-I190 VanDerWaalsContact C-N 3.26Å; E188-I190 PolarHBondContact O-N 2.86Å; E188-E191 PolarHBondContact O-N 3.17Å; E188-E192 PolarHBondContact O-N 3.18Å
189	D	94.3	Very high	93	Very high	41 Å²	41	69 Å²	69	22%	0.219	37%	0.369	C	S	.	.	H	α-helix	trans	-59.4	-35.7	172.3	-77.9	-41.9	0	0	0	113.1	K154 I185 S186 A193	K154-D189 HydrophobicContact CD-CB 4.01Å; K154-D189 VanDerWaalsContact NZ-CB 3.26Å; K154-D189 IonicContact NZ-OD1 3.6Å; K154-D189 PolarHBondContact NZ-OD1 3.12Å; K154-D189 VanDerWaalsContact NZ-OD1 3.12Å; K154-D189 IonicContact NZ-OD2 3.97Å; K154-D189 PolarHBondContact NZ-OD2 2.71Å; I185-D189 WeakPolarHBondContact CA-OD2 3.49Å; I185-D189 HydrophobicContact CG2-CB 4.16Å; S186-D189 PolarHBondContact N-OD2 2.88Å; S186-D189 WeakPolarHBondContact O-CB 3.06Å; S186-D189 PolarHBondContact O-N 2.67Å; S186-D189 PolarHBondContact OG-N 2.9Å; D189-A193 PolarHBondContact O-N 3.19Å; D189-A193 VanDerWaalsContact O-N 3.13Å
190	I	92.5	Very high	92.8	Very high	19 Å²	19	74.4 Å²	74.4	10%	0.097	39%	0.392	C	S	.	.	H	α-helix	trans	-73.9	-39.4	-179.6	-59.3	163.8	0	0	0	108.7	I162 M180 I185 S186 P187 E188 A193 R194	I162-I190 HydrophobicContact CD1-CD1 4.09Å; I162-I190 HydrophobicContact CD1-CG1 4.41Å; I162-I190 HydrophobicContact CD1-CG2 4.13Å; I162-I190 HydrophobicContact CG1-CG2 4.48Å; I162-I190 HydrophobicContact CG2-CG2 4.09Å; M180-I190 HydrophobicContact CE-CD1 3.42Å; M180-I190 VanDerWaalsContact CE-CD1 3.42Å; M180-I190 HydrophobicContact CE-CG1 4.39Å; I185-I190 HydrophobicContact CG2-CD1 4.41Å; I185-I190 HydrophobicContact CG2-CG1 4Å; S186-I190 WeakPolarHBondContact O-CG1 3.35Å; S186-I190 PolarHBondContact O-N 2.87Å; P187-I190 WeakPolarHBondContact O-CB 3.11Å; P187-I190 PolarHBondContact O-N 3Å; E188-I190 VanDerWaalsContact C-N 3.26Å; E188-I190 PolarHBondContact O-N 2.86Å; I190-A193 WeakPolarHBondContact O-CB 3.43Å; I190-A193 PolarHBondContact O-N 3.27Å; I190-A193 VanDerWaalsContact O-N 3.16Å; I190-R194 WeakPolarHBondContact O-CG 3.43Å; I190-R194 PolarHBondContact O-N 3.44Å
191	E	90.9	Very high	92.5	Very high	101 Å²	101	73.8 Å²	73.8	47%	0.472	39%	0.389	S	S	.	.	H	α-helix	trans	-72.3	-31.4	177.6	-151.5	54.6	-138.5	0	0	112.5	P187 E188 A193 R194 S195	P187-E191 PolarHBondContact O-N 3.24Å; P187-E191 VanDerWaalsContact O-N 3.12Å; E188-E191 PolarHBondContact O-N 3.17Å; E191-A193 VanDerWaalsContact C-N 3.35Å; E191-R194 PolarHBondContact O-N 2.88Å; E191-R194 WeakPolarHBondContact OE2-CD 3.23Å; E191-R194 IonicContact OE2-CZ 3.62Å; E191-R194 IonicContact OE2-NH1 2.71Å; E191-R194 PolarHBondContact OE2-NH1 2.71Å; E191-S195 VanDerWaalsContact O-CB 3.3Å; E191-S195 WeakPolarHBondContact O-CB 3.34Å; E191-S195 PolarHBondContact O-N 3.39Å; E191-S195 PolarHBondContact O-OG 2.91Å
192	E	92.4	Very high	92.4	Very high	135 Å²	135	67.4 Å²	67.4	63%	0.631	36%	0.36	S	S	*	.	H	α-helix	trans	-60.7	-43.6	165.3	-172.7	-178.9	-176.2	0	0	110.9	E188 S195 A196	E188-E192 PolarHBondContact O-N 3.18Å; E192-S195 PolarHBondContact O-N 3.24Å; E192-S195 PolarHBondContact O-OG 2.76Å; E192-A196 WeakPolarHBondContact O-CB 3.18Å; E192-A196 PolarHBondContact O-N 2.98Å
193	A	90.4	Very high	92.4	Very high	31 Å²	31	63.9 Å²	63.9	26%	0.256	35%	0.353	S	S	.	.	H	α-helix	trans	-66.1	-38.1	177.9	0	0	0	0	0	113.1	K154 D189 I190 E191	K154-A193 HydrophobicContact CB-CB 4.16Å; K154-A193 WeakPolarHBondContact O-CB 3.5Å; D189-A193 PolarHBondContact O-N 3.19Å; D189-A193 VanDerWaalsContact O-N 3.13Å; I190-A193 WeakPolarHBondContact O-CB 3.43Å; I190-A193 PolarHBondContact O-N 3.27Å; I190-A193 VanDerWaalsContact O-N 3.16Å; E191-A193 VanDerWaalsContact C-N 3.35Å
194	R	89.4	Confident	92.2	Very high	79 Å²	79	60.5 Å²	60.5	30%	0.298	34%	0.34	S	S	.	.	H	α-helix	trans	-68.5	-42.2	174.4	-72.8	-177.2	-176.6	133.7	-0.8	113.1	G160 D165 I190 E191 P197	G160-R194 WeakPolarHBondContact O-CD 3.39Å; G160-R194 WeakPolarHBondContact O-CG 3.44Å; G160-R194 PolarHBondContact O-NE 3.1Å; D165-R194 IonicContact OD1-NH2 2.71Å; D165-R194 IonicContact OD2-CZ 3.2Å; D165-R194 IonicContact OD2-NH2 2.8Å; D165-R194 PolarHBondContact OD2-NH2 2.77Å; I190-R194 WeakPolarHBondContact O-CG 3.43Å; I190-R194 PolarHBondContact O-N 3.44Å; E191-R194 PolarHBondContact O-N 2.88Å; E191-R194 WeakPolarHBondContact OE2-CD 3.23Å; E191-R194 IonicContact OE2-CZ 3.62Å; E191-R194 IonicContact OE2-NH1 2.71Å; E191-R194 PolarHBondContact OE2-NH1 2.71Å; R194-P197 WeakPolarHBondContact O-CD 3.41Å
195	S	89.9	Confident	92.2	Very high	37 Å²	37	57.9 Å²	57.9	26%	0.259	31%	0.313	S	S	.	.	H	α-helix	trans	-81.7	-12.8	-179	60.5	0	0	0	0	114	E191 E192 P197 E198 M199	E191-S195 VanDerWaalsContact O-CB 3.3Å; E191-S195 WeakPolarHBondContact O-CB 3.34Å; E191-S195 PolarHBondContact O-N 3.39Å; E191-S195 PolarHBondContact O-OG 2.91Å; E192-S195 PolarHBondContact O-N 3.24Å; E192-S195 PolarHBondContact O-OG 2.76Å; S195-P197 VanDerWaalsContact C-CD 3.42Å; S195-E198 WeakPolarHBondContact O-CB 3.35Å; S195-E198 PolarHBondContact O-N 3.05Å; S195-M199 PolarHBondContact O-N 3.41Å
196	A	90	Very high	92.1	Very high	50 Å²	50	61.2 Å²	61.2	41%	0.413	33%	0.327	S	S	.	.	H	α-helix	trans	-51.9	-39.3	179.2	0	0	0	0	0	115.4	E192 K200	E192-A196 WeakPolarHBondContact O-CB 3.18Å; E192-A196 PolarHBondContact O-N 2.98Å; A196-K200 VanDerWaalsContact O-CB 3.26Å; A196-K200 WeakPolarHBondContact O-CB 3.23Å; A196-K200 PolarHBondContact O-N 3.49Å
197	P	87.6	Confident	92.1	Very high	63 Å²	63	62 Å²	62	41%	0.409	33%	0.33	S	S	.	.	H	α-helix	trans	-66	-41.5	174.6	-20.6	35.1	0	0	0	112.9	R194 S195 M201	R194-P197 WeakPolarHBondContact O-CD 3.41Å; S195-P197 VanDerWaalsContact C-CD 3.42Å; P197-M201 PolarHBondContact O-N 3.31Å
198	E	91.6	Very high	92.1	Very high	28 Å²	28	57.7 Å²	57.7	13%	0.131	30%	0.302	C	S	.	.	H	α-helix	trans	-62.9	-51.7	174	179.5	166.4	-164.8	0	0	110.6	S195 K200 M201 L202 Y234 C235 E236 V237	S195-E198 WeakPolarHBondContact O-CB 3.35Å; S195-E198 PolarHBondContact O-N 3.05Å; E198-K200 VanDerWaalsContact C-N 3.26Å; E198-K200 PolarHBondContact O-N 3.36Å; E198-M201 CarbonylContact O-C 3.47Å; E198-M201 WeakPolarHBondContact O-CB 3.23Å; E198-M201 PolarHBondContact O-N 2.79Å; E198-L202 WeakPolarHBondContact O-CB 3.35Å; E198-L202 PolarHBondContact O-N 2.89Å; E198-Y234 HydrophobicContact CB-CD1 3.7Å; E198-Y234 HydrophobicContact CB-CD2 4.11Å; E198-Y234 HydrophobicContact CB-CE1 3.99Å; E198-Y234 HydrophobicContact CB-CE2 4.38Å; E198-Y234 HydrophobicContact CB-CG 3.79Å; E198-Y234 VanDerWaalsContact CD-CA 3.43Å; E198-Y234 VanDerWaalsContact CD-CB 3.43Å; E198-Y234 HydrophobicContact CG-CD1 4.09Å; E198-Y234 HydrophobicContact CG-CD2 4.26Å; E198-Y234 HydrophobicContact CG-CG 3.79Å; E198-Y234 VanDerWaalsContact OE1-CA 3.23Å; E198-Y234 WeakPolarHBondContact OE1-CA 3.45Å; E198-Y234 WeakPolarHBondContact OE1-CB 3.37Å; E198-C235 PolarHBondContact OE1-N 3.42Å; E198-E236 WeakPolarHBondContact OE1-CA 3.37Å; E198-E236 WeakPolarHBondContact OE1-CB 3.4Å; E198-E236 PolarHBondContact OE1-N 2.99Å; E198-V237 HydrophobicContact CG-CG2 3.65Å; E198-V237 PolarHBondContact OE1-N 3.18Å
199	M	92.3	Very high	91.9	Very high	84 Å²	84	56.8 Å²	56.8	41%	0.414	29%	0.293	S	S	.	.	H	α-helix	trans	-59.8	-36.1	-178.9	-77.9	-70	173.2	0	0	112.4	S195 L202 S203 E236	S195-M199 PolarHBondContact O-N 3.41Å; M199-L202 HydrophobicContact SD-CD2 4.17Å; M199-S203 VanDerWaalsContact O-CB 3.31Å; M199-S203 WeakPolarHBondContact O-CB 3.39Å; M199-S203 PolarHBondContact O-N 2.88Å; M199-E236 VanDerWaalsContact CE-OE2 3.29Å; M199-E236 WeakPolarHBondContact CE-OE2 3.45Å
200	K	92.2	Very high	91.8	Very high	136 Å²	136	61.9 Å²	61.9	59%	0.591	32%	0.319	S	S	*	.	H	α-helix	trans	-63.3	-51.5	171.3	-179	-174.5	173.5	-167.1	0	111.3	A196 E198 L202 S203 D204	A196-K200 VanDerWaalsContact O-CB 3.26Å; A196-K200 WeakPolarHBondContact O-CB 3.23Å; A196-K200 PolarHBondContact O-N 3.49Å; E198-K200 VanDerWaalsContact C-N 3.26Å; E198-K200 PolarHBondContact O-N 3.36Å; K200-L202 VanDerWaalsContact C-N 3.29Å; K200-L202 PolarHBondContact O-N 3.32Å; K200-S203 WeakPolarHBondContact O-CB 3.22Å; K200-S203 PolarHBondContact O-N 3.23Å; K200-D204 PolarHBondContact O-N 3Å
201	M	91.3	Very high	91.8	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-58.8	-41.6	177.4	-178.9	173.5	-178.7	0	0	111.7	P197 E198 D204 L205 P225 V228 Y234 V237 Y554	P197-M201 PolarHBondContact O-N 3.31Å; E198-M201 CarbonylContact O-C 3.47Å; E198-M201 WeakPolarHBondContact O-CB 3.23Å; E198-M201 PolarHBondContact O-N 2.79Å; M201-D204 PolarHBondContact O-N 2.96Å; M201-L205 HydrophobicContact CE-CD1 4Å; M201-L205 HydrophobicContact CG-CD1 3.75Å; M201-L205 HydrophobicContact CG-CG 4.44Å; M201-L205 VanDerWaalsContact O-CB 3.31Å; M201-L205 WeakPolarHBondContact O-CB 3.32Å; M201-L205 WeakPolarHBondContact O-CD1 3.33Å; M201-L205 WeakPolarHBondContact O-CG 3.31Å; M201-L205 PolarHBondContact O-N 3.41Å; M201-P225 HydrophobicContact CE-CB 3.95Å; M201-P225 VanDerWaalsContact CE-O 3.3Å; M201-P225 WeakPolarHBondContact CE-O 3.47Å; M201-V228 HydrophobicContact CE-CB 4.03Å; M201-V228 HydrophobicContact CE-CG1 4.06Å; M201-V228 HydrophobicContact SD-CG1 4.29Å; M201-Y234 HydrophobicContact SD-CD2 3.96Å; M201-Y234 HydrophobicContact SD-CE2 4.28Å; M201-V237 HydrophobicContact CB-CG2 4.25Å; M201-V237 HydrophobicContact CE-CG1 3.91Å; M201-V237 HydrophobicContact CG-CG1 4.2Å; M201-V237 HydrophobicContact CG-CG2 4.15Å; M201-V237 HydrophobicContact SD-CG1 4.12Å; M201-Y554 HydrophobicContact CB-CD1 3.82Å; M201-Y554 HydrophobicContact CB-CE1 3.97Å; M201-Y554 HydrophobicContact CB-CG 4.17Å; M201-Y554 HydrophobicContact CE-CD2 3.82Å; M201-Y554 HydrophobicContact CE-CE2 4.18Å; M201-Y554 HydrophobicContact CE-CG 4.47Å; M201-Y554 HydrophobicContact CG-CD1 3.89Å; M201-Y554 HydrophobicContact CG-CD2 3.81Å; M201-Y554 HydrophobicContact CG-CE1 3.96Å; M201-Y554 HydrophobicContact CG-CE2 3.86Å; M201-Y554 HydrophobicContact CG-CG 3.82Å; M201-Y554 HydrophobicContact SD-CD2 3.93Å; M201-Y554 HydrophobicContact SD-CE2 4.48Å; M201-Y554 HydrophobicContact SD-CG 3.98Å
202	L	93.8	Very high	91.8	Very high	3 Å²	3	72.9 Å²	72.9	2%	0.016	36%	0.359	C	S	.	.	H	α-helix	trans	-63.3	-42.7	176	-175.7	60.5	0	0	0	112.2	E198 M199 K200 K206 E236 V237 F240	E198-L202 WeakPolarHBondContact O-CB 3.35Å; E198-L202 PolarHBondContact O-N 2.89Å; M199-L202 HydrophobicContact SD-CD2 4.17Å; K200-L202 VanDerWaalsContact C-N 3.29Å; K200-L202 PolarHBondContact O-N 3.32Å; L202-K206 HydrophobicContact CD1-CD 4.34Å; L202-K206 HydrophobicContact CG-CD 4.05Å; L202-K206 VanDerWaalsContact O-CB 3.3Å; L202-K206 WeakPolarHBondContact O-CB 3.22Å; L202-K206 WeakPolarHBondContact O-CD 3.28Å; L202-K206 WeakPolarHBondContact O-CG 3.31Å; L202-K206 PolarHBondContact O-N 3.31Å; L202-E236 HydrophobicContact CD2-CB 3.9Å; L202-E236 WeakPolarHBondContact CD2-OE2 3.43Å; L202-V237 HydrophobicContact CB-CG2 3.74Å; L202-V237 HydrophobicContact CD1-CG2 4.27Å; L202-F240 HydrophobicContact CD1-CB 3.54Å; L202-F240 HydrophobicContact CD1-CD1 4.13Å; L202-F240 HydrophobicContact CD1-CD2 4.46Å; L202-F240 HydrophobicContact CD1-CG 3.77Å
203	S	95.1	Very high	91.5	Very high	66 Å²	66	70.6 Å²	70.6	46%	0.462	35%	0.345	S	S	.	.	H	α-helix	trans	-64.3	-45	176.6	-173.7	0	0	0	0	112.4	M199 K200 K206 T207	M199-S203 VanDerWaalsContact O-CB 3.31Å; M199-S203 WeakPolarHBondContact O-CB 3.39Å; M199-S203 PolarHBondContact O-N 2.88Å; K200-S203 WeakPolarHBondContact O-CB 3.22Å; K200-S203 PolarHBondContact O-N 3.23Å; S203-K206 PolarHBondContact O-N 2.8Å; S203-T207 WeakPolarHBondContact O-CB 3.44Å; S203-T207 PolarHBondContact O-N 2.71Å; S203-T207 PolarHBondContact O-OG1 2.86Å
204	D	92.5	Very high	91.5	Very high	51 Å²	51	73.5 Å²	73.5	27%	0.273	36%	0.356	S	S	.	.	H	α-helix	trans	-67.6	-37.8	177.6	-79.3	-31.8	0	0	0	111.8	K200 M201 T207 A208 P552 Y554	K200-D204 PolarHBondContact O-N 3Å; M201-D204 PolarHBondContact O-N 2.96Å; D204-T207 WeakPolarHBondContact O-CB 3.3Å; D204-T207 PolarHBondContact O-N 3.19Å; D204-A208 WeakPolarHBondContact O-CB 3.18Å; D204-A208 PolarHBondContact O-N 3.49Å; D204-P552 HydrophobicContact CB-CG 4.08Å; D204-Y554 HydrophobicContact CB-CE1 4Å; D204-Y554 WeakPolarHBondContact CB-OH 3.24Å
205	L	93.8	Very high	91.5	Very high	0 Å²	0	70 Å²	70	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-71.1	-38.1	174.7	-70.2	168.2	0	0	0	112.9	M201 T207 A208 R209 L215 P225 V237 F240 L241 L551	M201-L205 HydrophobicContact CE-CD1 4Å; M201-L205 HydrophobicContact CG-CD1 3.75Å; M201-L205 HydrophobicContact CG-CG 4.44Å; M201-L205 VanDerWaalsContact O-CB 3.31Å; M201-L205 WeakPolarHBondContact O-CB 3.32Å; M201-L205 WeakPolarHBondContact O-CD1 3.33Å; M201-L205 WeakPolarHBondContact O-CG 3.31Å; M201-L205 PolarHBondContact O-N 3.41Å; L205-T207 VanDerWaalsContact C-N 3.3Å; L205-T207 PolarHBondContact O-N 3.48Å; L205-A208 PolarHBondContact O-N 3.24Å; L205-R209 WeakPolarHBondContact O-CB 3.2Å; L205-R209 PolarHBondContact O-N 3.37Å; L205-L215 HydrophobicContact CD2-CD2 4.1Å; L205-P225 HydrophobicContact CD1-CB 4.25Å; L205-P225 HydrophobicContact CD2-CB 4.04Å; L205-P225 HydrophobicContact CD2-CG 4.07Å; L205-V237 HydrophobicContact CD1-CG1 3.6Å; L205-F240 HydrophobicContact CB-CD1 4.22Å; L205-F240 HydrophobicContact CB-CE1 3.93Å; L205-L241 HydrophobicContact CD1-CD1 4.34Å; L205-L241 HydrophobicContact CD1-CD2 4.15Å; L205-L241 HydrophobicContact CD1-CG 4.4Å; L205-L241 HydrophobicContact CD2-CD2 4.37Å; L205-L551 HydrophobicContact CD2-CD1 4.4Å
206	K	94.6	Very high	91.5	Very high	95 Å²	95	71.3 Å²	71.3	41%	0.413	35%	0.348	S	S	.	.	H	α-helix	trans	-57.2	-45.8	168.5	-77.5	164.4	178.6	166.9	0	110.2	L202 S203 R209 L210 F240	L202-K206 HydrophobicContact CD1-CD 4.34Å; L202-K206 HydrophobicContact CG-CD 4.05Å; L202-K206 VanDerWaalsContact O-CB 3.3Å; L202-K206 WeakPolarHBondContact O-CB 3.22Å; L202-K206 WeakPolarHBondContact O-CD 3.28Å; L202-K206 WeakPolarHBondContact O-CG 3.31Å; L202-K206 PolarHBondContact O-N 3.31Å; S203-K206 PolarHBondContact O-N 2.8Å; K206-R209 PolarHBondContact O-N 3.1Å; K206-L210 WeakPolarHBondContact O-CG 3.49Å; K206-L210 PolarHBondContact O-N 2.82Å; K206-L210 VanDerWaalsContact O-N 3.1Å; K206-F240 HydrophobicContact CB-CZ 4.32Å; K206-F240 HydrophobicContact CG-CD2 4.11Å; K206-F240 HydrophobicContact CG-CE1 4.3Å; K206-F240 HydrophobicContact CG-CE2 3.67Å; K206-F240 HydrophobicContact CG-CZ 3.79Å
207	T	93.6	Very high	91.4	Very high	54 Å²	54	71.9 Å²	71.9	33%	0.331	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-41.3	175.7	-62.4	0	0	0	0	112.7	S203 D204 L205 L210 K211	S203-T207 WeakPolarHBondContact O-CB 3.44Å; S203-T207 PolarHBondContact O-N 2.71Å; S203-T207 PolarHBondContact O-OG1 2.86Å; D204-T207 WeakPolarHBondContact O-CB 3.3Å; D204-T207 PolarHBondContact O-N 3.19Å; L205-T207 VanDerWaalsContact C-N 3.3Å; L205-T207 PolarHBondContact O-N 3.48Å; T207-L210 PolarHBondContact O-N 2.89Å; T207-K211 HydrophobicContact CG2-CD 4.27Å; T207-K211 WeakPolarHBondContact O-CG 3.18Å; T207-K211 PolarHBondContact O-N 2.89Å; T207-K211 VanDerWaalsContact O-N 3.16Å
208	A	91.6	Very high	91.4	Very high	4 Å²	4	72.5 Å²	72.5	3%	0.033	34%	0.342	C	S	.	.	H	α-helix	trans	-65.2	-40.2	176.7	0	0	0	0	0	112.5	D204 L205 K211 R212 Y213 L215 L551	D204-A208 WeakPolarHBondContact O-CB 3.18Å; D204-A208 PolarHBondContact O-N 3.49Å; L205-A208 PolarHBondContact O-N 3.24Å; A208-K211 CarbonylContact O-C 3.55Å; A208-K211 PolarHBondContact O-N 2.75Å; A208-R212 PolarHBondContact O-N 2.75Å; A208-R212 VanDerWaalsContact O-N 3.12Å; A208-Y213 HydrophobicContact CB-CD2 3.84Å; A208-Y213 PolarHBondContact O-N 3.06Å; A208-L215 HydrophobicContact CB-CD2 4.31Å; A208-L551 HydrophobicContact CB-CD2 3.53Å
209	R	90.7	Very high	91.1	Very high	114 Å²	114	73.2 Å²	73.2	43%	0.43	35%	0.347	S	S	.	.	H	α-helix	trans	-64.7	-41.6	176.5	-179.3	54.4	168.5	-142.6	-10	112.2	L205 K206 K211 R212 F240 S244	L205-R209 WeakPolarHBondContact O-CB 3.2Å; L205-R209 PolarHBondContact O-N 3.37Å; K206-R209 PolarHBondContact O-N 3.1Å; R209-K211 VanDerWaalsContact C-N 3.31Å; R209-K211 PolarHBondContact O-N 3.44Å; R209-R212 WeakPolarHBondContact O-CA 3.44Å; R209-R212 PolarHBondContact O-N 3.33Å; R209-F240 HydrophobicContact CB-CE1 4.45Å; R209-F240 HydrophobicContact CB-CZ 3.88Å; R209-F240 HydrophobicContact CG-CZ 4.15Å; R209-S244 PolarHBondContact NH1-O 2.89Å; R209-S244 PolarHBondContact NH2-O 3.01Å
210	L	92	Very high	90.8	Very high	148 Å²	148	73.8 Å²	73.8	78%	0.775	36%	0.356	S	S	*	.	H	α-helix	trans	-60.5	-39.8	172.8	-70.9	171.3	0	0	0	112	K206 T207 R212	K206-L210 WeakPolarHBondContact O-CG 3.49Å; K206-L210 PolarHBondContact O-N 2.82Å; K206-L210 VanDerWaalsContact O-N 3.1Å; T207-L210 PolarHBondContact O-N 2.89Å; L210-R212 PolarHBondContact O-N 2.78Å
211	K	92.2	Very high	90.2	Very high	124 Å²	124	70.2 Å²	70.2	54%	0.539	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-1.2	174	-67.5	170.4	-176.6	172.3	0	114	T207 A208 R209 Y213	T207-K211 HydrophobicContact CG2-CD 4.27Å; T207-K211 WeakPolarHBondContact O-CG 3.18Å; T207-K211 PolarHBondContact O-N 2.89Å; T207-K211 VanDerWaalsContact O-N 3.16Å; A208-K211 CarbonylContact O-C 3.55Å; A208-K211 PolarHBondContact O-N 2.75Å; R209-K211 VanDerWaalsContact C-N 3.31Å; R209-K211 PolarHBondContact O-N 3.44Å; K211-Y213 VanDerWaalsContact C-N 3.29Å; K211-Y213 HydrophobicContact CB-CD2 3.97Å; K211-Y213 HydrophobicContact CB-CE1 4.29Å; K211-Y213 HydrophobicContact CB-CE2 3.67Å; K211-Y213 HydrophobicContact CB-CG 4.38Å; K211-Y213 HydrophobicContact CD-CD2 4.46Å; K211-Y213 HydrophobicContact CD-CE2 3.57Å; K211-Y213 HydrophobicContact CG-CE2 4.26Å; K211-Y213 PolarHBondContact O-N 3.28Å
212	R	90.1	Very high	90.1	Very high	228 Å²	228	70.6 Å²	70.6	86%	0.86	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	32.3	-177.1	-56.6	-177.6	176.5	-179.2	-1.3	114.4	A208 R209 L210	A208-R212 PolarHBondContact O-N 2.75Å; A208-R212 VanDerWaalsContact O-N 3.12Å; R209-R212 WeakPolarHBondContact O-CA 3.44Å; R209-R212 PolarHBondContact O-N 3.33Å; L210-R212 PolarHBondContact O-N 2.78Å
213	Y	87.3	Confident	90	Very high	86 Å²	86	71.3 Å²	71.3	34%	0.337	35%	0.352	S	S	.	.			trans	-68.1	153.8	168.6	-59.8	-40.4	0	0	0	111.1	A208 K211 L215	A208-Y213 HydrophobicContact CB-CD2 3.84Å; A208-Y213 PolarHBondContact O-N 3.06Å; K211-Y213 VanDerWaalsContact C-N 3.29Å; K211-Y213 HydrophobicContact CB-CD2 3.97Å; K211-Y213 HydrophobicContact CB-CE1 4.29Å; K211-Y213 HydrophobicContact CB-CE2 3.67Å; K211-Y213 HydrophobicContact CB-CG 4.38Å; K211-Y213 HydrophobicContact CD-CD2 4.46Å; K211-Y213 HydrophobicContact CD-CE2 3.57Å; K211-Y213 HydrophobicContact CG-CE2 4.26Å; K211-Y213 PolarHBondContact O-N 3.28Å; Y213-L215 PolarHBondContact O-N 3.06Å
214	N	89.5	Confident	89.9	Confident	92 Å²	92	68.2 Å²	68.2	49%	0.492	33%	0.33	S	S	.	.			trans	-73.6	123.7	172.6	177.4	20.8	0	0	0	109.1	N216 I217	N214-N216 VanDerWaalsContact C-N 3.27Å; N214-N216 PolarHBondContact O-N 3.16Å; N214-N216 PolarHBondContact OD1-N 3.14Å; N214-I217 HydrophobicContact CB-CD1 4.13Å; N214-I217 HydrophobicContact CB-CG1 3.96Å; N214-I217 WeakPolarHBondContact O-CD1 3.49Å; N214-I217 WeakPolarHBondContact O-CG1 3.31Å
215	L	90.6	Very high	89.9	Confident	6 Å²	6	66.2 Å²	66.2	3%	0.031	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-7.1	179.9	-58.2	174.6	0	0	0	112.7	L205 A208 Y213 P225 L241 V246	L205-L215 HydrophobicContact CD2-CD2 4.1Å; A208-L215 HydrophobicContact CB-CD2 4.31Å; Y213-L215 PolarHBondContact O-N 3.06Å; L215-P225 WeakPolarHBondContact O-CD 3.31Å; L215-L241 HydrophobicContact CB-CD2 4.02Å; L215-L241 HydrophobicContact CD1-CD2 4.11Å; L215-L241 HydrophobicContact CG-CD2 4.45Å; L215-V246 HydrophobicContact CB-CG2 3.89Å; L215-V246 HydrophobicContact CD1-CG2 4.42Å
216	N	88.8	Confident	90	Very high	64 Å²	64	66.2 Å²	66.2	34%	0.342	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	24.9	177.2	-55.4	12.8	0	0	0	111.9	N214 V246	N214-N216 VanDerWaalsContact C-N 3.27Å; N214-N216 PolarHBondContact O-N 3.16Å; N214-N216 PolarHBondContact OD1-N 3.14Å; N216-V246 WeakPolarHBondContact OD1-CG2 3.26Å
217	I	87.2	Confident	90	Very high	63 Å²	63	61.9 Å²	61.9	32%	0.323	30%	0.301	S	S	.	.			trans	-74.9	130	172.4	-69	170	0	0	0	108	N214 P225 L551	N214-I217 HydrophobicContact CB-CD1 4.13Å; N214-I217 HydrophobicContact CB-CG1 3.96Å; N214-I217 WeakPolarHBondContact O-CD1 3.49Å; N214-I217 WeakPolarHBondContact O-CG1 3.31Å; I217-P225 VanDerWaalsContact O-CD 3.31Å; I217-P225 WeakPolarHBondContact O-CD 3.39Å; I217-L551 HydrophobicContact CB-CD1 4.49Å
218	L	89.4	Confident	89.8	Confident	75 Å²	75	59.8 Å²	59.8	39%	0.393	29%	0.288	S	S	.	.			trans	-77.4	140.8	171.4	-51.3	-174.7	0	0	0	109.8	G222 A223 A224	L218-G222 WeakPolarHBondContact CD2-O 3.41Å; L218-A223 WeakPolarHBondContact CA-O 3.47Å; L218-A224 HydrophobicContact CD2-CB 3.83Å
219	D	84.9	Confident	89.9	Confident	43 Å²	43	59.6 Å²	59.6	23%	0.23	29%	0.287	C	S	.	.			trans	-79.3	-168.8	173.1	72.3	4	0	0	0	112.5	Q221 G222 A223	D219-Q221 PolarHBondContact O-N 2.78Å; D219-Q221 WeakPolarHBondContact OD1-CA 3.4Å; D219-Q221 WeakPolarHBondContact OD1-CB 3.44Å; D219-Q221 PolarHBondContact OD1-N 3.19Å; D219-G222 PolarHBondContact O-N 3.48Å; D219-G222 VanDerWaalsContact O-N 3.1Å; D219-G222 PolarHBondContact OD1-N 2.92Å; D219-A223 PolarHBondContact N-O 2.93Å; D219-A223 PolarHBondContact OD1-N 2.93Å
220	T	85.2	Confident	90.1	Very high	97 Å²	97	54.1 Å²	54.1	60%	0.595	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-12.8	178	42.2	0	0	0	0	114.4	Q553	T220-Q553 PolarHBondContact OG1-NE2 2.86Å
221	Q	79.5	Confident	90.1	Very high	60 Å²	60	48.4 Å²	48.4	28%	0.28	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-3.7	169.9	-52.6	-49.4	-34.8	0	0	112.1	D219 I560 H566	D219-Q221 PolarHBondContact O-N 2.78Å; D219-Q221 WeakPolarHBondContact OD1-CA 3.4Å; D219-Q221 WeakPolarHBondContact OD1-CB 3.44Å; D219-Q221 PolarHBondContact OD1-N 3.19Å; Q221-I560 VanDerWaalsContact CD-CD1 3.42Å; Q221-I560 HydrophobicContact CG-CD1 4.1Å; Q221-H566 PolarHBondContact OE1-NE2 3.38Å
222	G	89.4	Confident	89.9	Confident	10 Å²	10	45.1 Å²	45.1	10%	0.103	23%	0.232	C	C	.	.	S	Bend	trans	86.8	11.1	-178.3	0	0	0	0	0	114.2	L218 D219 D252 A253	L218-G222 WeakPolarHBondContact CD2-O 3.41Å; D219-G222 PolarHBondContact O-N 3.48Å; D219-G222 VanDerWaalsContact O-N 3.1Å; D219-G222 PolarHBondContact OD1-N 2.92Å; G222-D252 WeakPolarHBondContact O-CA 3.3Å; G222-D252 WeakPolarHBondContact O-CB 3.1Å; G222-A253 PolarHBondContact O-N 2.96Å
223	A	92	Very high	90	Very high	17 Å²	17	35 Å²	35	14%	0.14	20%	0.199	C	C	.	.			trans	-97.2	131.7	-178.1	0	0	0	0	0	111.8	L218 D219 H227 V228	L218-A223 WeakPolarHBondContact CA-O 3.47Å; D219-A223 PolarHBondContact N-O 2.93Å; D219-A223 PolarHBondContact OD1-N 2.93Å; A223-H227 HydrophobicContact CB-CB 4.25Å; A223-V228 HydrophobicContact CB-CG2 4.03Å
224	A	93	Very high	90.3	Very high	2 Å²	2	33.2 Å²	33.2	2%	0.017	19%	0.192	C	C	.	.			trans	-76	155.1	164.8	0	0	0	0	0	110.5	L218 I226 H227 V228	L218-A224 HydrophobicContact CD2-CB 3.83Å; A224-I226 HydrophobicContact CB-CG2 4.25Å; A224-I226 PolarHBondContact O-N 3.44Å; A224-H227 WeakPolarHBondContact CB-ND1 3.37Å; A224-H227 PolarHBondContact N-ND1 3.36Å; A224-H227 WeakPolarHBondContact O-CB 3.31Å; A224-H227 PolarHBondContact O-N 3.39Å; A224-H227 PolarHBondContact O-ND1 3.48Å; A224-V228 PolarHBondContact O-N 3.02Å
225	P	92.6	Very high	90.6	Very high	8 Å²	8	30.5 Å²	30.5	5%	0.052	18%	0.18	C	C	.	.	H	α-helix	trans	-46.6	-31.8	176.7	-32.6	34.3	0	0	0	116.3	M201 L205 L215 I217 V228 A229 L241 L551	M201-P225 HydrophobicContact CE-CB 3.95Å; M201-P225 VanDerWaalsContact CE-O 3.3Å; M201-P225 WeakPolarHBondContact CE-O 3.47Å; L205-P225 HydrophobicContact CD1-CB 4.25Å; L205-P225 HydrophobicContact CD2-CB 4.04Å; L205-P225 HydrophobicContact CD2-CG 4.07Å; L215-P225 WeakPolarHBondContact O-CD 3.31Å; I217-P225 VanDerWaalsContact O-CD 3.31Å; I217-P225 WeakPolarHBondContact O-CD 3.39Å; P225-V228 PolarHBondContact O-N 3.38Å; P225-A229 WeakPolarHBondContact O-CB 3.38Å; P225-A229 PolarHBondContact O-N 3.5Å; P225-L241 HydrophobicContact CB-CD1 3.94Å; P225-L241 HydrophobicContact CB-CD2 4.34Å; P225-L551 HydrophobicContact CG-CD1 3.67Å
226	I	95.4	Very high	90.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-72.1	-27	176.9	-171.4	167.4	0	0	0	113.4	A224 A230 L241 L242 V246 S250 P258 L274	A224-I226 HydrophobicContact CB-CG2 4.25Å; A224-I226 PolarHBondContact O-N 3.44Å; I226-A230 WeakPolarHBondContact O-CB 3.48Å; I226-A230 PolarHBondContact O-N 2.89Å; I226-L241 HydrophobicContact CB-CD1 3.91Å; I226-L242 HydrophobicContact CD1-CD2 3.77Å; I226-L242 HydrophobicContact CD1-CG 4.16Å; I226-V246 HydrophobicContact CB-CG1 4.13Å; I226-V246 HydrophobicContact CD1-CB 4.49Å; I226-V246 HydrophobicContact CD1-CG1 3.76Å; I226-V246 HydrophobicContact CG2-CG1 3.84Å; I226-S250 WeakPolarHBondContact CG2-OG 3.44Å; I226-P258 HydrophobicContact CB-CG 4.32Å; I226-P258 HydrophobicContact CD1-CG 4.15Å; I226-P258 HydrophobicContact CG1-CB 4.07Å; I226-P258 HydrophobicContact CG1-CG 3.8Å; I226-P258 HydrophobicContact CG2-CG 3.8Å; I226-L274 HydrophobicContact CD1-CD2 4.04Å; I226-L274 HydrophobicContact CG1-CD2 4.4Å
227	H	94.4	Very high	91.2	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.019	18%	0.183	C	C	.	.	H	α-helix	trans	-76.5	-38.8	172.6	-52.9	89.5	0	0	0	110.9	A223 A224 A230 A231 S250 D252 P258 V261	A223-H227 HydrophobicContact CB-CB 4.25Å; A224-H227 WeakPolarHBondContact CB-ND1 3.37Å; A224-H227 PolarHBondContact N-ND1 3.36Å; A224-H227 WeakPolarHBondContact O-CB 3.31Å; A224-H227 PolarHBondContact O-N 3.39Å; A224-H227 PolarHBondContact O-ND1 3.48Å; H227-A230 CarbonylContact O-C 3.48Å; H227-A230 PolarHBondContact O-N 2.97Å; H227-A231 PolarHBondContact O-N 3.48Å; H227-S250 PolarHBondContact CE1-OG 3.5Å; H227-S250 PolarHBondContact NE2-O 2.94Å; H227-S250 PolarHBondContact NE2-OG 2.84Å; H227-D252 PolarHBondContact NE2-N 3.2Å; H227-P258 WeakPolarHBondContact NE2-CD 3.21Å; H227-V261 HydrophobicContact CB-CG2 4.43Å
228	V	91	Very high	91.6	Very high	10 Å²	10	28.8 Å²	28.8	6%	0.061	17%	0.168	C	C	.	.	H	α-helix	trans	-63.2	-47.5	174	179.7	0	0	0	0	110.2	M201 A223 A224 P225 A230 A231 C232 I555	M201-V228 HydrophobicContact CE-CB 4.03Å; M201-V228 HydrophobicContact CE-CG1 4.06Å; M201-V228 HydrophobicContact SD-CG1 4.29Å; A223-V228 HydrophobicContact CB-CG2 4.03Å; A224-V228 PolarHBondContact O-N 3.02Å; P225-V228 PolarHBondContact O-N 3.38Å; V228-A230 PolarHBondContact O-N 3.26Å; V228-A231 PolarHBondContact O-N 2.91Å; V228-A231 VanDerWaalsContact O-N 3.1Å; V228-C232 PolarHBondContact O-N 3.34Å; V228-I555 HydrophobicContact CG1-CD1 4.43Å; V228-I555 HydrophobicContact CG1-CG1 4.29Å; V228-I555 HydrophobicContact CG2-CD1 4.13Å
229	A	93.8	Very high	92	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.2	-36.6	173.3	0	0	0	0	0	112.3	P225 G233 Y234 V237 M270	P225-A229 WeakPolarHBondContact O-CB 3.38Å; P225-A229 PolarHBondContact O-N 3.5Å; A229-G233 PolarHBondContact O-N 3.37Å; A229-Y234 PolarHBondContact O-N 3.25Å; A229-V237 HydrophobicContact CB-CB 4.13Å; A229-V237 HydrophobicContact CB-CG1 3.71Å; A229-M270 HydrophobicContact CB-CE 4.48Å
230	A	94.7	Very high	92.6	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-79	-13.2	178	0	0	0	0	0	115.5	I226 H227 V228 P258 V261 A262 M270 L274	I226-A230 WeakPolarHBondContact O-CB 3.48Å; I226-A230 PolarHBondContact O-N 2.89Å; H227-A230 CarbonylContact O-C 3.48Å; H227-A230 PolarHBondContact O-N 2.97Å; V228-A230 PolarHBondContact O-N 3.26Å; A230-P258 HydrophobicContact CB-CB 3.92Å; A230-P258 WeakPolarHBondContact CB-O 3.2Å; A230-V261 HydrophobicContact CB-CB 4.43Å; A230-V261 HydrophobicContact CB-CG1 4.49Å; A230-A262 HydrophobicContact CB-CB 4.25Å; A230-A262 VanDerWaalsContact O-CA 3.25Å; A230-A262 WeakPolarHBondContact O-CA 3.37Å; A230-A262 PolarHBondContact O-N 3.48Å; A230-M270 HydrophobicContact CB-CG 3.87Å; A230-M270 HydrophobicContact CB-SD 4.32Å; A230-L274 HydrophobicContact CB-CD1 4.47Å
231	A	91.9	Very high	93.1	Very high	27 Å²	27	23.3 Å²	23.3	22%	0.223	13%	0.134	C	C	.	.	H	α-helix	trans	-85	-32.8	170	0	0	0	0	0	112.1	H227 V228 V261	H227-A231 PolarHBondContact O-N 3.48Å; V228-A231 PolarHBondContact O-N 2.91Å; V228-A231 VanDerWaalsContact O-N 3.1Å; A231-V261 HydrophobicContact CB-CG1 3.68Å
232	C	88	Confident	94	Very high	56 Å²	56	21 Å²	21	38%	0.378	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	11	-174.8	-51.1	0	0	0	0	114.3	V228 Y234	V228-C232 PolarHBondContact O-N 3.34Å; C232-Y234 HydrophobicContact CB-CD1 3.78Å; C232-Y234 HydrophobicContact CB-CD2 3.92Å; C232-Y234 HydrophobicContact CB-CE1 3.54Å; C232-Y234 HydrophobicContact CB-CE2 3.7Å; C232-Y234 HydrophobicContact CB-CG 3.95Å; C232-Y234 VanDerWaalsContact CB-CZ 3.49Å; C232-Y234 WeakPolarHBondContact O-CD1 3.45Å; C232-Y234 WeakPolarHBondContact O-CE1 3.35Å; C232-Y234 PolarHBondContact O-N 2.93Å; C232-Y234 VanDerWaalsContact O-N 3.12Å
233	G	91.7	Very high	94.2	Very high	15 Å²	15	27 Å²	27	16%	0.155	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	4.6	-179.2	0	0	0	0	0	116.5	A229 C235 E267	A229-G233 PolarHBondContact O-N 3.37Å; G233-C235 PolarHBondContact O-N 2.82Å; G233-C235 PolarHBondContact O-SG 3.46Å; G233-E267 WeakPolarHBondContact CA-OE2 3.33Å
234	Y	94.3	Very high	94.3	Very high	48 Å²	48	26.9 Å²	26.9	19%	0.188	15%	0.146	C	C	.	.			trans	-66.2	82.9	-170.3	-65.8	-11.6	0	0	0	113.3	E198 M201 A229 C232 V237 G238 M270	E198-Y234 HydrophobicContact CB-CD1 3.7Å; E198-Y234 HydrophobicContact CB-CD2 4.11Å; E198-Y234 HydrophobicContact CB-CE1 3.99Å; E198-Y234 HydrophobicContact CB-CE2 4.38Å; E198-Y234 HydrophobicContact CB-CG 3.79Å; E198-Y234 VanDerWaalsContact CD-CA 3.43Å; E198-Y234 VanDerWaalsContact CD-CB 3.43Å; E198-Y234 HydrophobicContact CG-CD1 4.09Å; E198-Y234 HydrophobicContact CG-CD2 4.26Å; E198-Y234 HydrophobicContact CG-CG 3.79Å; E198-Y234 VanDerWaalsContact OE1-CA 3.23Å; E198-Y234 WeakPolarHBondContact OE1-CA 3.45Å; E198-Y234 WeakPolarHBondContact OE1-CB 3.37Å; M201-Y234 HydrophobicContact SD-CD2 3.96Å; M201-Y234 HydrophobicContact SD-CE2 4.28Å; A229-Y234 PolarHBondContact O-N 3.25Å; C232-Y234 HydrophobicContact CB-CD1 3.78Å; C232-Y234 HydrophobicContact CB-CD2 3.92Å; C232-Y234 HydrophobicContact CB-CE1 3.54Å; C232-Y234 HydrophobicContact CB-CE2 3.7Å; C232-Y234 HydrophobicContact CB-CG 3.95Å; C232-Y234 VanDerWaalsContact CB-CZ 3.49Å; C232-Y234 WeakPolarHBondContact O-CD1 3.45Å; C232-Y234 WeakPolarHBondContact O-CE1 3.35Å; C232-Y234 PolarHBondContact O-N 2.93Å; C232-Y234 VanDerWaalsContact O-N 3.12Å; Y234-V237 PolarHBondContact O-N 2.96Å; Y234-G238 PolarHBondContact O-N 3.39Å; Y234-M270 VanDerWaalsContact O-CE 3.23Å; Y234-M270 WeakPolarHBondContact O-CE 3.26Å
235	C	95.2	Very high	94.4	Very high	36 Å²	36	29.9 Å²	29.9	24%	0.243	18%	0.177	C	C	.	.	H	α-helix	trans	-73.3	-29.9	-171.4	-73.7	0	0	0	0	113.9	E198 G233 L239 L273	E198-C235 PolarHBondContact OE1-N 3.42Å; G233-C235 PolarHBondContact O-N 2.82Å; G233-C235 PolarHBondContact O-SG 3.46Å; C235-L239 WeakPolarHBondContact O-CB 3.47Å; C235-L239 PolarHBondContact O-N 2.91Å; C235-L273 HydrophobicContact CB-CD2 4.15Å; C235-L273 WeakPolarHBondContact O-CD2 3.42Å
236	E	95.6	Very high	94.5	Very high	97 Å²	97	29.9 Å²	29.9	45%	0.453	18%	0.177	S	C	.	.	H	α-helix	trans	-69.2	-41.2	172.4	-66.8	-154.6	172.2	0	0	111.1	E198 M199 L202 L239 F240	E198-E236 WeakPolarHBondContact OE1-CA 3.37Å; E198-E236 WeakPolarHBondContact OE1-CB 3.4Å; E198-E236 PolarHBondContact OE1-N 2.99Å; M199-E236 VanDerWaalsContact CE-OE2 3.29Å; M199-E236 WeakPolarHBondContact CE-OE2 3.45Å; L202-E236 HydrophobicContact CD2-CB 3.9Å; L202-E236 WeakPolarHBondContact CD2-OE2 3.43Å; E236-L239 PolarHBondContact O-N 3.3Å; E236-F240 VanDerWaalsContact O-CB 3.31Å; E236-F240 WeakPolarHBondContact O-CB 3.3Å; E236-F240 PolarHBondContact O-N 3.23Å
237	V	95.2	Very high	94.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.3	-46.1	174.5	173.5	0	0	0	0	110.7	E198 M201 L202 L205 A229 Y234 L239 F240 L241	E198-V237 HydrophobicContact CG-CG2 3.65Å; E198-V237 PolarHBondContact OE1-N 3.18Å; M201-V237 HydrophobicContact CB-CG2 4.25Å; M201-V237 HydrophobicContact CE-CG1 3.91Å; M201-V237 HydrophobicContact CG-CG1 4.2Å; M201-V237 HydrophobicContact CG-CG2 4.15Å; M201-V237 HydrophobicContact SD-CG1 4.12Å; L202-V237 HydrophobicContact CB-CG2 3.74Å; L202-V237 HydrophobicContact CD1-CG2 4.27Å; L205-V237 HydrophobicContact CD1-CG1 3.6Å; A229-V237 HydrophobicContact CB-CB 4.13Å; A229-V237 HydrophobicContact CB-CG1 3.71Å; Y234-V237 PolarHBondContact O-N 2.96Å; V237-L239 PolarHBondContact O-N 3.49Å; V237-F240 PolarHBondContact O-N 2.93Å; V237-L241 HydrophobicContact CG1-CD1 3.75Å; V237-L241 HydrophobicContact CG1-CG 4.31Å; V237-L241 WeakPolarHBondContact O-CB 3.49Å; V237-L241 WeakPolarHBondContact O-CG 3.41Å; V237-L241 PolarHBondContact O-N 3.28Å
238	G	96.7	Very high	94.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-54.8	-50.8	174	0	0	0	0	0	111.7	Y234 F240 L241 L242	Y234-G238 PolarHBondContact O-N 3.39Å; G238-F240 PolarHBondContact O-N 3.31Å; G238-L241 PolarHBondContact O-N 3.22Å; G238-L242 WeakPolarHBondContact O-CB 3.37Å; G238-L242 WeakPolarHBondContact O-CD1 3.35Å; G238-L242 WeakPolarHBondContact O-CG 3.39Å; G238-L242 PolarHBondContact O-N 3.12Å
239	L	97.8	Very high	94.9	Very high	63 Å²	63	35.8 Å²	35.8	33%	0.33	21%	0.21	S	C	.	.	H	α-helix	trans	-61.2	-45.1	179.7	-179.3	64.2	0	0	0	111.5	C235 E236 V237 L241 L242 Q243 L273	C235-L239 WeakPolarHBondContact O-CB 3.47Å; C235-L239 PolarHBondContact O-N 2.91Å; E236-L239 PolarHBondContact O-N 3.3Å; V237-L239 PolarHBondContact O-N 3.49Å; L239-L241 PolarHBondContact O-N 2.92Å; L239-L242 PolarHBondContact O-N 3.47Å; L239-Q243 HydrophobicContact CD1-CG 4.2Å; L239-Q243 HydrophobicContact CG-CG 4.45Å; L239-Q243 WeakPolarHBondContact O-CB 3.34Å; L239-Q243 VanDerWaalsContact O-CG 3.26Å; L239-Q243 WeakPolarHBondContact O-CG 3.46Å; L239-Q243 PolarHBondContact O-N 2.78Å; L239-L273 HydrophobicContact CB-CD1 4.2Å; L239-L273 HydrophobicContact CB-CD2 4.32Å; L239-L273 HydrophobicContact CD1-CD1 3.87Å
240	F	97.5	Very high	95	Very high	37 Å²	37	36.5 Å²	36.5	16%	0.162	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-40.1	177.6	173.4	-99.6	0	0	0	112.9	L202 L205 K206 R209 E236 V237 G238 S244	L202-F240 HydrophobicContact CD1-CB 3.54Å; L202-F240 HydrophobicContact CD1-CD1 4.13Å; L202-F240 HydrophobicContact CD1-CD2 4.46Å; L202-F240 HydrophobicContact CD1-CG 3.77Å; L205-F240 HydrophobicContact CB-CD1 4.22Å; L205-F240 HydrophobicContact CB-CE1 3.93Å; K206-F240 HydrophobicContact CB-CZ 4.32Å; K206-F240 HydrophobicContact CG-CD2 4.11Å; K206-F240 HydrophobicContact CG-CE1 4.3Å; K206-F240 HydrophobicContact CG-CE2 3.67Å; K206-F240 HydrophobicContact CG-CZ 3.79Å; R209-F240 HydrophobicContact CB-CE1 4.45Å; R209-F240 HydrophobicContact CB-CZ 3.88Å; R209-F240 HydrophobicContact CG-CZ 4.15Å; E236-F240 VanDerWaalsContact O-CB 3.31Å; E236-F240 WeakPolarHBondContact O-CB 3.3Å; E236-F240 PolarHBondContact O-N 3.23Å; V237-F240 PolarHBondContact O-N 2.93Å; G238-F240 PolarHBondContact O-N 3.31Å; F240-S244 WeakPolarHBondContact O-CB 3.24Å; F240-S244 PolarHBondContact O-N 2.95Å; F240-S244 PolarHBondContact O-OG 3.47Å
241	L	96.5	Very high	95	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-46.1	176.6	-70.7	170.3	0	0	0	110.9	L205 L215 P225 I226 V237 G238 L239 S244 G245 V246	L205-L241 HydrophobicContact CD1-CD1 4.34Å; L205-L241 HydrophobicContact CD1-CD2 4.15Å; L205-L241 HydrophobicContact CD1-CG 4.4Å; L205-L241 HydrophobicContact CD2-CD2 4.37Å; L215-L241 HydrophobicContact CB-CD2 4.02Å; L215-L241 HydrophobicContact CD1-CD2 4.11Å; L215-L241 HydrophobicContact CG-CD2 4.45Å; P225-L241 HydrophobicContact CB-CD1 3.94Å; P225-L241 HydrophobicContact CB-CD2 4.34Å; I226-L241 HydrophobicContact CB-CD1 3.91Å; V237-L241 HydrophobicContact CG1-CD1 3.75Å; V237-L241 HydrophobicContact CG1-CG 4.31Å; V237-L241 WeakPolarHBondContact O-CB 3.49Å; V237-L241 WeakPolarHBondContact O-CG 3.41Å; V237-L241 PolarHBondContact O-N 3.28Å; G238-L241 PolarHBondContact O-N 3.22Å; L239-L241 PolarHBondContact O-N 2.92Å; L241-S244 CarbonylContact O-C 3.53Å; L241-S244 WeakPolarHBondContact O-CA 3.34Å; L241-S244 WeakPolarHBondContact O-CB 3.48Å; L241-S244 PolarHBondContact O-N 2.92Å; L241-S244 VanDerWaalsContact O-N 3.11Å; L241-G245 PolarHBondContact O-N 3.21Å; L241-V246 HydrophobicContact CB-CB 4.26Å; L241-V246 HydrophobicContact CB-CG2 3.94Å; L241-V246 HydrophobicContact CD2-CG2 4.1Å; L241-V246 VanDerWaalsContact O-CB 3.3Å; L241-V246 WeakPolarHBondContact O-CB 3.24Å; L241-V246 VanDerWaalsContact O-CG2 3.24Å; L241-V246 WeakPolarHBondContact O-CG2 3.32Å; L241-V246 PolarHBondContact O-N 3.12Å
242	L	96.7	Very high	95.1	Very high	12 Å²	12	40.9 Å²	40.9	6%	0.063	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-44.3	178.7	-66.8	164.6	0	0	0	112	I226 G238 L239 S244 G245 P248 L273 L274 H277	I226-L242 HydrophobicContact CD1-CD2 3.77Å; I226-L242 HydrophobicContact CD1-CG 4.16Å; G238-L242 WeakPolarHBondContact O-CB 3.37Å; G238-L242 WeakPolarHBondContact O-CD1 3.35Å; G238-L242 WeakPolarHBondContact O-CG 3.39Å; G238-L242 PolarHBondContact O-N 3.12Å; L239-L242 PolarHBondContact O-N 3.47Å; L242-S244 PolarHBondContact O-N 3.02Å; L242-G245 PolarHBondContact O-N 3.19Å; L242-P248 HydrophobicContact CD2-CB 3.67Å; L242-P248 HydrophobicContact CD2-CG 4.19Å; L242-L273 HydrophobicContact CD1-CD1 4.29Å; L242-L273 HydrophobicContact CD1-CG 3.97Å; L242-L274 HydrophobicContact CD1-CD2 4.27Å; L242-L274 HydrophobicContact CD2-CD2 4.4Å; L242-H277 HydrophobicContact CB-CB 4.28Å; L242-H277 HydrophobicContact CD1-CB 3.94Å; L242-H277 HydrophobicContact CD2-CB 4.01Å; L242-H277 HydrophobicContact CG-CB 4.3Å
243	Q	95.4	Very high	95.3	Very high	135 Å²	135	41.6 Å²	41.6	63%	0.631	24%	0.244	S	C	*	.	H	α-helix	trans	-63	-30.7	171.3	-71.5	-179.8	7.1	0	0	112.5	L239 G245	L239-Q243 HydrophobicContact CD1-CG 4.2Å; L239-Q243 HydrophobicContact CG-CG 4.45Å; L239-Q243 WeakPolarHBondContact O-CB 3.34Å; L239-Q243 VanDerWaalsContact O-CG 3.26Å; L239-Q243 WeakPolarHBondContact O-CG 3.46Å; L239-Q243 PolarHBondContact O-N 2.78Å; Q243-G245 PolarHBondContact O-N 3.43Å
244	S	94.1	Very high	95.2	Very high	14 Å²	14	44 Å²	44	10%	0.098	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-4.9	172.4	-70.9	0	0	0	0	113.9	R209 F240 L241 L242	R209-S244 PolarHBondContact NH1-O 2.89Å; R209-S244 PolarHBondContact NH2-O 3.01Å; F240-S244 WeakPolarHBondContact O-CB 3.24Å; F240-S244 PolarHBondContact O-N 2.95Å; F240-S244 PolarHBondContact O-OG 3.47Å; L241-S244 CarbonylContact O-C 3.53Å; L241-S244 WeakPolarHBondContact O-CA 3.34Å; L241-S244 WeakPolarHBondContact O-CB 3.48Å; L241-S244 PolarHBondContact O-N 2.92Å; L241-S244 VanDerWaalsContact O-N 3.11Å; L242-S244 PolarHBondContact O-N 3.02Å
245	G	93.5	Very high	95.2	Very high	65 Å²	65	42.5 Å²	42.5	67%	0.67	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	25.2	179.1	0	0	0	0	0	114.2	L241 L242 Q243	L241-G245 PolarHBondContact O-N 3.21Å; L242-G245 PolarHBondContact O-N 3.19Å; Q243-G245 PolarHBondContact O-N 3.43Å
246	V	95.3	Very high	95.2	Very high	8 Å²	8	42.1 Å²	42.1	5%	0.048	25%	0.246	C	C	.	.			trans	-66.6	139.7	162.7	178.2	0	0	0	0	108.7	L215 N216 I226 L241 P248	L215-V246 HydrophobicContact CB-CG2 3.89Å; L215-V246 HydrophobicContact CD1-CG2 4.42Å; N216-V246 WeakPolarHBondContact OD1-CG2 3.26Å; I226-V246 HydrophobicContact CB-CG1 4.13Å; I226-V246 HydrophobicContact CD1-CB 4.49Å; I226-V246 HydrophobicContact CD1-CG1 3.76Å; I226-V246 HydrophobicContact CG2-CG1 3.84Å; L241-V246 HydrophobicContact CB-CB 4.26Å; L241-V246 HydrophobicContact CB-CG2 3.94Å; L241-V246 HydrophobicContact CD2-CG2 4.1Å; L241-V246 VanDerWaalsContact O-CB 3.3Å; L241-V246 WeakPolarHBondContact O-CB 3.24Å; L241-V246 VanDerWaalsContact O-CG2 3.24Å; L241-V246 WeakPolarHBondContact O-CG2 3.32Å; L241-V246 PolarHBondContact O-N 3.12Å; V246-P248 WeakPolarHBondContact O-CD 3.22Å
247	D	95.9	Very high	95.3	Very high	83 Å²	83	37.6 Å²	37.6	44%	0.444	22%	0.224	S	C	.	.			trans	-75.8	122.1	175.9	-171.3	-16.4	0	0	0	109.2	N249 S250	D247-N249 PolarHBondContact O-N 3.25Å; D247-N249 WeakPolarHBondContact OD1-CB 3.43Å; D247-N249 PolarHBondContact OD1-N 3.48Å; D247-N249 PolarHBondContact OD1-ND2 3.42Å; D247-S250 WeakPolarHBondContact O-CB 3.44Å; D247-S250 PolarHBondContact O-N 2.87Å; D247-S250 PolarHBondContact O-OG 3.08Å
248	P	96.1	Very high	95.3	Very high	13 Å²	13	37.6 Å²	37.6	8%	0.084	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-8.7	174.1	25.3	-33.7	0	0	0	113.8	L242 V246 L274	L242-P248 HydrophobicContact CD2-CB 3.67Å; L242-P248 HydrophobicContact CD2-CG 4.19Å; V246-P248 WeakPolarHBondContact O-CD 3.22Å; P248-L274 HydrophobicContact CB-CD2 4.08Å
249	N	97	Very high	95.3	Very high	43 Å²	43	37.6 Å²	37.6	23%	0.23	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	18.6	175.8	-43.4	-86.9	0	0	0	112.5	D247 G279 D280 I283	D247-N249 PolarHBondContact O-N 3.25Å; D247-N249 WeakPolarHBondContact OD1-CB 3.43Å; D247-N249 PolarHBondContact OD1-N 3.48Å; D247-N249 PolarHBondContact OD1-ND2 3.42Å; N249-G279 WeakPolarHBondContact OD1-CA 3.43Å; N249-D280 PolarHBondContact OD1-N 3.1Å; N249-I283 HydrophobicContact CB-CD1 3.94Å
250	S	95.2	Very high	95.2	Very high	15 Å²	15	34.6 Å²	34.6	11%	0.105	21%	0.209	C	C	.	.			trans	-51.3	149.4	168.4	62.8	0	0	0	0	110.6	I226 H227 D247 T257 P258	I226-S250 WeakPolarHBondContact CG2-OG 3.44Å; H227-S250 PolarHBondContact CE1-OG 3.5Å; H227-S250 PolarHBondContact NE2-O 2.94Å; H227-S250 PolarHBondContact NE2-OG 2.84Å; D247-S250 WeakPolarHBondContact O-CB 3.44Å; D247-S250 PolarHBondContact O-N 2.87Å; D247-S250 PolarHBondContact O-OG 3.08Å; S250-T257 WeakPolarHBondContact O-CA 3.26Å; S250-P258 VanDerWaalsContact O-CD 3.32Å; S250-P258 WeakPolarHBondContact O-CD 3.45Å
251	L	95.2	Very high	95	Very high	95 Å²	95	33.4 Å²	33.4	50%	0.497	20%	0.204	S	C	.	.			trans	-107.7	143.4	173	-58.4	-179.8	0	0	0	110.8	W256 T257	L251-W256 VanDerWaalsContact CA-O 3.31Å; L251-W256 WeakPolarHBondContact CA-O 3.17Å; L251-T257 HydrophobicContact CD2-CG2 3.59Å
252	D	93.3	Very high	94.9	Very high	23 Å²	23	33.4 Å²	33.4	12%	0.123	20%	0.204	C	C	.	.			trans	-82.5	-173	163.6	66.1	14.1	0	0	0	111.5	G222 H227 D254 G255 W256	G222-D252 WeakPolarHBondContact O-CA 3.3Å; G222-D252 WeakPolarHBondContact O-CB 3.1Å; H227-D252 PolarHBondContact NE2-N 3.2Å; D252-D254 VanDerWaalsContact C-N 3.3Å; D252-D254 PolarHBondContact O-N 3.17Å; D252-D254 WeakPolarHBondContact OD1-CA 3.42Å; D252-D254 WeakPolarHBondContact OD1-CB 3.44Å; D252-D254 PolarHBondContact OD1-N 3.47Å; D252-G255 PolarHBondContact O-N 2.91Å; D252-G255 PolarHBondContact OD1-N 3.41Å; D252-W256 PolarHBondContact N-O 3.1Å; D252-W256 VanDerWaalsContact N-O 3.14Å; D252-W256 PolarHBondContact OD1-N 3.42Å
253	A	92.6	Very high	94.8	Very high	72 Å²	72	32.9 Å²	32.9	60%	0.595	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-25.1	177.7	0	0	0	0	0	114.3	G222 G255	G222-A253 PolarHBondContact O-N 2.96Å; A253-G255 VanDerWaalsContact C-N 3.27Å
254	D	90.6	Very high	94.6	Very high	66 Å²	66	27.9 Å²	27.9	35%	0.353	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-9.3	174.4	-88.5	-1.8	0	0	0	112.3	D252 W256 P286 R570	D252-D254 VanDerWaalsContact C-N 3.3Å; D252-D254 PolarHBondContact O-N 3.17Å; D252-D254 WeakPolarHBondContact OD1-CA 3.42Å; D252-D254 WeakPolarHBondContact OD1-CB 3.44Å; D252-D254 PolarHBondContact OD1-N 3.47Å; D254-W256 VanDerWaalsContact C-N 3.34Å; D254-W256 HydrophobicContact CB-CG 4.32Å; D254-P286 VanDerWaalsContact O-CD 3.3Å; D254-P286 WeakPolarHBondContact O-CD 3.11Å; D254-P286 VanDerWaalsContact O-CG 3.28Å; D254-P286 WeakPolarHBondContact O-CG 3.26Å; D254-R570 IonicContact OD2-CZ 3.17Å; D254-R570 VanDerWaalsContact OD2-CZ 3.22Å; D254-R570 IonicContact OD2-NH1 2.67Å; D254-R570 PolarHBondContact OD2-NH1 2.7Å; D254-R570 IonicContact OD2-NH2 2.87Å; D254-R570 PolarHBondContact OD2-NH2 3.09Å
255	G	93.8	Very high	94.2	Very high	16 Å²	16	31.5 Å²	31.5	17%	0.165	19%	0.193	C	C	.	.	S	Bend	trans	75.2	22.8	-173.4	0	0	0	0	0	113.4	D252 A253	D252-G255 PolarHBondContact O-N 2.91Å; D252-G255 PolarHBondContact OD1-N 3.41Å; A253-G255 VanDerWaalsContact C-N 3.27Å
256	W	95.9	Very high	94.1	Very high	28 Å²	28	29.9 Å²	29.9	11%	0.106	18%	0.176	C	C	.	.			trans	-88	153.9	171.4	-71.6	39.6	0	0	0	110.1	L251 D252 D254 H260 V261 C264 T285 I294	L251-W256 VanDerWaalsContact CA-O 3.31Å; L251-W256 WeakPolarHBondContact CA-O 3.17Å; D252-W256 PolarHBondContact N-O 3.1Å; D252-W256 VanDerWaalsContact N-O 3.14Å; D252-W256 PolarHBondContact OD1-N 3.42Å; D254-W256 VanDerWaalsContact C-N 3.34Å; D254-W256 HydrophobicContact CB-CG 4.32Å; W256-H260 HydrophobicContact CB-CB 4.1Å; W256-H260 HydrophobicContact CD2-CB 4.1Å; W256-H260 HydrophobicContact CE3-CB 3.7Å; W256-H260 HydrophobicContact CG-CB 4.29Å; W256-H260 HydrophobicContact CZ3-CB 4.47Å; W256-V261 HydrophobicContact CE3-CG2 4.24Å; W256-C264 HydrophobicContact CZ3-CB 3.94Å; W256-T285 HydrophobicContact CD2-CG2 4.13Å; W256-T285 HydrophobicContact CG-CG2 3.89Å; W256-I294 HydrophobicContact CE3-CD1 4.39Å; W256-I294 HydrophobicContact CH2-CD1 3.9Å; W256-I294 HydrophobicContact CH2-CG2 4.11Å; W256-I294 HydrophobicContact CZ2-CD1 4.06Å; W256-I294 HydrophobicContact CZ3-CD1 4.08Å; W256-I294 HydrophobicContact CZ3-CG2 4.09Å
257	T	97	Very high	93.9	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	19%	0.188	C	C	.	.			trans	-97.9	162.8	169.7	67.1	0	0	0	0	110.2	S250 L251 S259 H260 V261 I283	S250-T257 WeakPolarHBondContact O-CA 3.26Å; L251-T257 HydrophobicContact CD2-CG2 3.59Å; T257-S259 PolarHBondContact O-N 2.73Å; T257-S259 VanDerWaalsContact O-N 3.07Å; T257-H260 PolarHBondContact N-ND1 3.28Å; T257-H260 WeakPolarHBondContact O-CB 3.45Å; T257-H260 PolarHBondContact O-N 3.11Å; T257-H260 PolarHBondContact OG1-N 3.07Å; T257-H260 PolarHBondContact OG1-ND1 2.94Å; T257-V261 PolarHBondContact O-N 3.1Å; T257-I283 HydrophobicContact CG2-CD1 4.06Å; T257-I283 HydrophobicContact CG2-CG2 4.12Å
258	P	96.1	Very high	93.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-52.3	-32.6	173.2	-29	37.2	0	0	0	113.3	I226 H227 A230 S250 V261 A262 L274	I226-P258 HydrophobicContact CB-CG 4.32Å; I226-P258 HydrophobicContact CD1-CG 4.15Å; I226-P258 HydrophobicContact CG1-CB 4.07Å; I226-P258 HydrophobicContact CG1-CG 3.8Å; I226-P258 HydrophobicContact CG2-CG 3.8Å; H227-P258 WeakPolarHBondContact NE2-CD 3.21Å; A230-P258 HydrophobicContact CB-CB 3.92Å; A230-P258 WeakPolarHBondContact CB-O 3.2Å; S250-P258 VanDerWaalsContact O-CD 3.32Å; S250-P258 WeakPolarHBondContact O-CD 3.45Å; P258-V261 PolarHBondContact O-N 2.79Å; P258-A262 WeakPolarHBondContact O-CB 3.35Å; P258-A262 PolarHBondContact O-N 3.23Å; P258-L274 HydrophobicContact CB-CD1 3.75Å; P258-L274 HydrophobicContact CB-CD2 3.87Å
259	S	96.8	Very high	93.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-73.5	-25.8	176.5	-53.8	0	0	0	0	114.5	T257 A263	T257-S259 PolarHBondContact O-N 2.73Å; T257-S259 VanDerWaalsContact O-N 3.07Å; S259-A263 WeakPolarHBondContact O-CB 3.44Å; S259-A263 PolarHBondContact O-N 3.47Å; S259-A263 VanDerWaalsContact O-N 3.13Å
260	H	95	Very high	93.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-71.2	-38.8	169.4	-70.1	98.2	0	0	0	110.9	W256 T257 C264 I283 T285 A291 I294	W256-H260 HydrophobicContact CB-CB 4.1Å; W256-H260 HydrophobicContact CD2-CB 4.1Å; W256-H260 HydrophobicContact CE3-CB 3.7Å; W256-H260 HydrophobicContact CG-CB 4.29Å; W256-H260 HydrophobicContact CZ3-CB 4.47Å; T257-H260 PolarHBondContact N-ND1 3.28Å; T257-H260 WeakPolarHBondContact O-CB 3.45Å; T257-H260 PolarHBondContact O-N 3.11Å; T257-H260 PolarHBondContact OG1-N 3.07Å; T257-H260 PolarHBondContact OG1-ND1 2.94Å; H260-C264 WeakPolarHBondContact O-CB 3.32Å; H260-C264 PolarHBondContact O-N 3.18Å; H260-C264 VanDerWaalsContact O-N 3.12Å; H260-I283 PolarHBondContact CE1-O 3.16Å; H260-I283 PolarHBondContact NE2-O 3.38Å; H260-T285 HydrophobicContact CB-CG2 4.4Å; H260-T285 VanDerWaalsContact CD2-CG2 3.47Å; H260-T285 WeakPolarHBondContact CD2-CG2 3.49Å; H260-A291 PolarHBondContact CD2-N 2.89Å; H260-A291 VanDerWaalsContact CD2-N 3.3Å; H260-A291 PolarHBondContact NE2-N 3.25Å; H260-I294 HydrophobicContact CB-CD1 4.22Å
261	V	93.7	Very high	93.7	Very high	12 Å²	12	30.9 Å²	30.9	7%	0.073	17%	0.174	C	C	.	.	H	α-helix	trans	-63.7	-55	175.7	-178.5	0	0	0	0	110	H227 A230 A231 W256 T257 P258 A263 C264 W265	H227-V261 HydrophobicContact CB-CG2 4.43Å; A230-V261 HydrophobicContact CB-CB 4.43Å; A230-V261 HydrophobicContact CB-CG1 4.49Å; A231-V261 HydrophobicContact CB-CG1 3.68Å; W256-V261 HydrophobicContact CE3-CG2 4.24Å; T257-V261 PolarHBondContact O-N 3.1Å; P258-V261 PolarHBondContact O-N 2.79Å; V261-A263 VanDerWaalsContact C-N 3.29Å; V261-A263 PolarHBondContact O-N 3.29Å; V261-C264 WeakPolarHBondContact O-CA 3.4Å; V261-C264 VanDerWaalsContact O-CB 3.28Å; V261-C264 WeakPolarHBondContact O-CB 3.41Å; V261-C264 PolarHBondContact O-N 2.95Å; V261-W265 VanDerWaalsContact O-CD1 3.23Å; V261-W265 PolarHBondContact O-N 3.46Å; V261-W265 VanDerWaalsContact O-N 3.12Å
262	A	94.3	Very high	93.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.2	-36.8	179.2	0	0	0	0	0	113.3	A230 P258 C264 W265 G266 E267 M270 I271	A230-A262 HydrophobicContact CB-CB 4.25Å; A230-A262 VanDerWaalsContact O-CA 3.25Å; A230-A262 WeakPolarHBondContact O-CA 3.37Å; A230-A262 PolarHBondContact O-N 3.48Å; P258-A262 WeakPolarHBondContact O-CB 3.35Å; P258-A262 PolarHBondContact O-N 3.23Å; A262-C264 VanDerWaalsContact C-N 3.32Å; A262-C264 PolarHBondContact O-N 2.86Å; A262-W265 PolarHBondContact O-N 3.38Å; A262-G266 PolarHBondContact O-N 3.34Å; A262-E267 HydrophobicContact CB-CB 4Å; A262-E267 PolarHBondContact O-N 2.95Å; A262-M270 HydrophobicContact CB-CB 4.18Å; A262-M270 HydrophobicContact CB-CG 3.89Å; A262-I271 HydrophobicContact CB-CD1 4.25Å; A262-I271 HydrophobicContact CB-CG1 3.59Å
263	A	93.8	Very high	93.9	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-67.9	-29	174.7	0	0	0	0	0	113.6	S259 V261 I271 A291	S259-A263 WeakPolarHBondContact O-CB 3.44Å; S259-A263 PolarHBondContact O-N 3.47Å; S259-A263 VanDerWaalsContact O-N 3.13Å; V261-A263 VanDerWaalsContact C-N 3.29Å; V261-A263 PolarHBondContact O-N 3.29Å; A263-I271 HydrophobicContact CB-CD1 4.01Å; A263-A291 HydrophobicContact CB-CB 4.06Å; A263-A291 WeakPolarHBondContact CB-O 3.25Å
264	C	91.6	Very high	94.2	Very high	30 Å²	30	26.8 Å²	26.8	20%	0.203	14%	0.136	C	C	.	.	H	α-helix	trans	-73.9	-36.3	175.6	-161	0	0	0	0	112.4	W256 H260 V261 A262 I294	W256-C264 HydrophobicContact CZ3-CB 3.94Å; H260-C264 WeakPolarHBondContact O-CB 3.32Å; H260-C264 PolarHBondContact O-N 3.18Å; H260-C264 VanDerWaalsContact O-N 3.12Å; V261-C264 WeakPolarHBondContact O-CA 3.4Å; V261-C264 VanDerWaalsContact O-CB 3.28Å; V261-C264 WeakPolarHBondContact O-CB 3.41Å; V261-C264 PolarHBondContact O-N 2.95Å; A262-C264 VanDerWaalsContact C-N 3.32Å; A262-C264 PolarHBondContact O-N 2.86Å; C264-I294 HydrophobicContact CB-CG2 3.57Å
265	W	85.8	Confident	94.4	Very high	90 Å²	90	24 Å²	24	34%	0.341	12%	0.121	S	C	.	.	H	α-helix	trans	-92.3	-5.6	-179	-65.2	102.3	0	0	0	113.9	V261 A262 E267 C573 C574	V261-W265 VanDerWaalsContact O-CD1 3.23Å; V261-W265 PolarHBondContact O-N 3.46Å; V261-W265 VanDerWaalsContact O-N 3.12Å; A262-W265 PolarHBondContact O-N 3.38Å; W265-E267 HydrophobicContact CB-CG 4.14Å; W265-C573 HydrophobicContact CH2-CB 4.03Å; W265-C574 HydrophobicContact CZ3-CB 4.15Å
266	G	90.6	Very high	94.4	Very high	31 Å²	31	27.5 Å²	27.5	32%	0.32	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	13.1	179.8	0	0	0	0	0	114.7	A262 M268	A262-G266 PolarHBondContact O-N 3.34Å; G266-M268 VanDerWaalsContact C-CE 3.46Å; G266-M268 VanDerWaalsContact C-N 3.31Å; G266-M268 WeakPolarHBondContact O-CE 3.38Å; G266-M268 PolarHBondContact O-N 3.47Å
267	E	92.6	Very high	94.4	Very high	61 Å²	61	30.1 Å²	30.1	29%	0.285	16%	0.156	S	C	.	.			trans	-77.5	70.1	-171.4	-69.3	-60.8	161.3	0	0	113.1	G233 A262 W265 E269 M270 I271	G233-E267 WeakPolarHBondContact CA-OE2 3.33Å; A262-E267 HydrophobicContact CB-CB 4Å; A262-E267 PolarHBondContact O-N 2.95Å; W265-E267 HydrophobicContact CB-CG 4.14Å; E267-E269 PolarHBondContact O-N 3.45Å; E267-M270 HydrophobicContact CB-CB 4Å; E267-M270 WeakPolarHBondContact O-CB 3.23Å; E267-M270 PolarHBondContact O-N 3.45Å; E267-I271 WeakPolarHBondContact O-CG1 3.41Å; E267-I271 PolarHBondContact O-N 2.85Å
268	M	93.5	Very high	94.2	Very high	18 Å²	18	31.1 Å²	31.1	9%	0.089	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-35.2	-170.5	-63.8	-59.2	111.8	0	0	114.1	G266 I271 R272 T300 E303 V304 I307	G266-M268 VanDerWaalsContact C-CE 3.46Å; G266-M268 VanDerWaalsContact C-N 3.31Å; G266-M268 WeakPolarHBondContact O-CE 3.38Å; G266-M268 PolarHBondContact O-N 3.47Å; M268-I271 HydrophobicContact CE-CD1 3.54Å; M268-I271 WeakPolarHBondContact O-CB 3.41Å; M268-I271 PolarHBondContact O-N 2.84Å; M268-I271 HydrophobicContact SD-CD1 4.05Å; M268-R272 WeakPolarHBondContact O-CD 3.32Å; M268-R272 VanDerWaalsContact O-CG 3.3Å; M268-R272 WeakPolarHBondContact O-CG 3.45Å; M268-R272 PolarHBondContact O-N 3.02Å; M268-T300 HydrophobicContact CE-CG2 3.98Å; M268-E303 HydrophobicContact CB-CG 4.36Å; M268-E303 WeakPolarHBondContact CB-OE1 3.36Å; M268-E303 HydrophobicContact CG-CB 4.41Å; M268-E303 VanDerWaalsContact CG-CD 3.47Å; M268-E303 HydrophobicContact CG-CG 4Å; M268-E303 HydrophobicContact SD-CB 3.92Å; M268-E303 HydrophobicContact SD-CG 3.82Å; M268-V304 HydrophobicContact CE-CG2 3.78Å; M268-V304 HydrophobicContact SD-CG2 3.6Å; M268-V304 VanDerWaalsContact SD-CG2 3.6Å; M268-I307 HydrophobicContact SD-CD1 4.46Å
269	E	94.8	Very high	94.2	Very high	104 Å²	104	31.1 Å²	31.1	49%	0.486	17%	0.167	S	C	.	.	H	α-helix	trans	-71.6	-35.7	177.2	-164.6	54.6	-135.8	0	0	111.9	E267 I271 R272 L273	E267-E269 PolarHBondContact O-N 3.45Å; E269-I271 VanDerWaalsContact C-N 3.3Å; E269-I271 PolarHBondContact O-N 3.48Å; E269-R272 WeakPolarHBondContact O-CB 3.38Å; E269-R272 PolarHBondContact O-N 2.78Å; E269-R272 WeakPolarHBondContact OE2-CD 3.18Å; E269-R272 IonicContact OE2-NE 2.89Å; E269-L273 WeakPolarHBondContact O-CB 3.48Å; E269-L273 PolarHBondContact O-N 3.24Å
270	M	95.4	Very high	94.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.7	-38.3	168.3	179	62.5	58.4	0	0	111.6	A229 A230 Y234 A262 E267 L273 L274	A229-M270 HydrophobicContact CB-CE 4.48Å; A230-M270 HydrophobicContact CB-CG 3.87Å; A230-M270 HydrophobicContact CB-SD 4.32Å; Y234-M270 VanDerWaalsContact O-CE 3.23Å; Y234-M270 WeakPolarHBondContact O-CE 3.26Å; A262-M270 HydrophobicContact CB-CB 4.18Å; A262-M270 HydrophobicContact CB-CG 3.89Å; E267-M270 HydrophobicContact CB-CB 4Å; E267-M270 WeakPolarHBondContact O-CB 3.23Å; E267-M270 PolarHBondContact O-N 3.45Å; M270-L273 HydrophobicContact CE-CD2 4.31Å; M270-L273 PolarHBondContact O-N 3.36Å; M270-L273 HydrophobicContact SD-CD2 4.11Å; M270-L274 HydrophobicContact CG-CD1 3.76Å; M270-L274 HydrophobicContact CG-CG 4.21Å; M270-L274 WeakPolarHBondContact O-CB 3.47Å; M270-L274 VanDerWaalsContact O-CG 3.24Å; M270-L274 WeakPolarHBondContact O-CG 3.27Å; M270-L274 PolarHBondContact O-N 3.09Å; M270-L274 HydrophobicContact SD-CD1 4.04Å; M270-L274 HydrophobicContact SD-CG 3.93Å
271	I	96.4	Very high	94.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.9	-43.6	175	-62.6	171.6	0	0	0	110.4	A262 A263 E267 M268 E269 L273 L274 V275 L281 V304 I307	A262-I271 HydrophobicContact CB-CD1 4.25Å; A262-I271 HydrophobicContact CB-CG1 3.59Å; A263-I271 HydrophobicContact CB-CD1 4.01Å; E267-I271 WeakPolarHBondContact O-CG1 3.41Å; E267-I271 PolarHBondContact O-N 2.85Å; M268-I271 HydrophobicContact CE-CD1 3.54Å; M268-I271 WeakPolarHBondContact O-CB 3.41Å; M268-I271 PolarHBondContact O-N 2.84Å; M268-I271 HydrophobicContact SD-CD1 4.05Å; E269-I271 VanDerWaalsContact C-N 3.3Å; E269-I271 PolarHBondContact O-N 3.48Å; I271-L273 PolarHBondContact O-N 2.82Å; I271-L274 PolarHBondContact O-N 2.85Å; I271-V275 HydrophobicContact CG2-CG2 4.02Å; I271-V275 WeakPolarHBondContact O-CB 3.34Å; I271-V275 WeakPolarHBondContact O-CG2 3.49Å; I271-V275 PolarHBondContact O-N 3.07Å; I271-L281 HydrophobicContact CG2-CD1 4.19Å; I271-L281 HydrophobicContact CG2-CD2 4.3Å; I271-V304 HydrophobicContact CD1-CG2 3.51Å; I271-I307 HydrophobicContact CB-CD1 4.41Å; I271-I307 HydrophobicContact CG2-CD1 4.14Å; I271-I307 HydrophobicContact CG2-CG2 4.3Å
272	R	95.9	Very high	94.2	Very high	85 Å²	85	36.1 Å²	36.1	32%	0.321	20%	0.196	S	C	.	.	H	α-helix	trans	-57.5	-48.2	174.5	-69.6	158.5	-177.9	-83.9	1.4	111	M268 E269 V275 S276 E303 I307	M268-R272 WeakPolarHBondContact O-CD 3.32Å; M268-R272 VanDerWaalsContact O-CG 3.3Å; M268-R272 WeakPolarHBondContact O-CG 3.45Å; M268-R272 PolarHBondContact O-N 3.02Å; E269-R272 WeakPolarHBondContact O-CB 3.38Å; E269-R272 PolarHBondContact O-N 2.78Å; E269-R272 WeakPolarHBondContact OE2-CD 3.18Å; E269-R272 IonicContact OE2-NE 2.89Å; R272-V275 PolarHBondContact O-N 3.03Å; R272-S276 WeakPolarHBondContact O-CB 3.36Å; R272-S276 PolarHBondContact O-N 2.92Å; R272-E303 IonicContact CZ-OE1 2.71Å; R272-E303 VanDerWaalsContact CZ-OE1 3.29Å; R272-E303 IonicContact NE-OE1 3.22Å; R272-E303 PolarHBondContact NE-OE1 3.36Å; R272-E303 VanDerWaalsContact NE-OE1 3.11Å; R272-E303 IonicContact NH2-OE1 3.86Å; R272-E303 PolarHBondContact NH2-OE1 3.23Å; R272-I307 HydrophobicContact CG-CD1 3.68Å; R272-I307 HydrophobicContact CG-CG1 3.81Å; R272-I307 HydrophobicContact CG-CG2 4.21Å
273	L	96.8	Very high	94.2	Very high	20 Å²	20	38.5 Å²	38.5	11%	0.105	21%	0.208	C	C	.	.	H	α-helix	trans	-58.4	-55.9	175.8	176.8	61.6	0	0	0	112.4	C235 L239 L242 E269 M270 I271 V275 S276 H277	C235-L273 HydrophobicContact CB-CD2 4.15Å; C235-L273 WeakPolarHBondContact O-CD2 3.42Å; L239-L273 HydrophobicContact CB-CD1 4.2Å; L239-L273 HydrophobicContact CB-CD2 4.32Å; L239-L273 HydrophobicContact CD1-CD1 3.87Å; L242-L273 HydrophobicContact CD1-CD1 4.29Å; L242-L273 HydrophobicContact CD1-CG 3.97Å; E269-L273 WeakPolarHBondContact O-CB 3.48Å; E269-L273 PolarHBondContact O-N 3.24Å; M270-L273 HydrophobicContact CE-CD2 4.31Å; M270-L273 PolarHBondContact O-N 3.36Å; M270-L273 HydrophobicContact SD-CD2 4.11Å; I271-L273 PolarHBondContact O-N 2.82Å; L273-V275 PolarHBondContact O-N 3.37Å; L273-S276 PolarHBondContact O-N 3.28Å; L273-S276 PolarHBondContact O-OG 3.35Å; L273-H277 PolarHBondContact O-N 2.92Å; L273-H277 VanDerWaalsContact O-N 3.11Å
274	L	97.1	Very high	94.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.7	-45.8	178.6	-73.3	167.1	0	0	0	111.8	I226 A230 L242 P248 P258 M270 I271 S276 H277 G278 G279	I226-L274 HydrophobicContact CD1-CD2 4.04Å; I226-L274 HydrophobicContact CG1-CD2 4.4Å; A230-L274 HydrophobicContact CB-CD1 4.47Å; L242-L274 HydrophobicContact CD1-CD2 4.27Å; L242-L274 HydrophobicContact CD2-CD2 4.4Å; P248-L274 HydrophobicContact CB-CD2 4.08Å; P258-L274 HydrophobicContact CB-CD1 3.75Å; P258-L274 HydrophobicContact CB-CD2 3.87Å; M270-L274 HydrophobicContact CG-CD1 3.76Å; M270-L274 HydrophobicContact CG-CG 4.21Å; M270-L274 WeakPolarHBondContact O-CB 3.47Å; M270-L274 VanDerWaalsContact O-CG 3.24Å; M270-L274 WeakPolarHBondContact O-CG 3.27Å; M270-L274 PolarHBondContact O-N 3.09Å; M270-L274 HydrophobicContact SD-CD1 4.04Å; M270-L274 HydrophobicContact SD-CG 3.93Å; I271-L274 PolarHBondContact O-N 2.85Å; L274-S276 VanDerWaalsContact C-N 3.33Å; L274-S276 PolarHBondContact O-N 2.8Å; L274-H277 CarbonylContact O-C 3.58Å; L274-H277 PolarHBondContact O-N 2.87Å; L274-G278 PolarHBondContact O-N 3.33Å; L274-G279 PolarHBondContact O-N 3.34Å
275	V	95.9	Very high	94.4	Very high	7 Å²	7	41 Å²	41	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-35.9	-179.6	170	0	0	0	0	111.4	I271 R272 L273 G278 L281 I307 W308 R311	I271-V275 HydrophobicContact CG2-CG2 4.02Å; I271-V275 WeakPolarHBondContact O-CB 3.34Å; I271-V275 WeakPolarHBondContact O-CG2 3.49Å; I271-V275 PolarHBondContact O-N 3.07Å; R272-V275 PolarHBondContact O-N 3.03Å; L273-V275 PolarHBondContact O-N 3.37Å; V275-G278 PolarHBondContact O-N 2.88Å; V275-L281 HydrophobicContact CG2-CD1 3.85Å; V275-L281 HydrophobicContact CG2-CD2 3.88Å; V275-L281 HydrophobicContact CG2-CG 3.84Å; V275-I307 HydrophobicContact CB-CG2 4.16Å; V275-I307 HydrophobicContact CG1-CG2 4.07Å; V275-I307 HydrophobicContact CG2-CG2 4.2Å; V275-W308 HydrophobicContact CG1-CE3 4.46Å; V275-R311 HydrophobicContact CG1-CB 3.89Å; V275-R311 VanDerWaalsContact CG1-CD 3.41Å; V275-R311 HydrophobicContact CG1-CG 4.25Å
276	S	93.8	Very high	94.7	Very high	89 Å²	89	41.7 Å²	41.7	62%	0.622	24%	0.24	S	C	*	.	H	α-helix	trans	-66.6	-40.1	175.2	79.2	0	0	0	0	112.7	R272 L273 L274 G278	R272-S276 WeakPolarHBondContact O-CB 3.36Å; R272-S276 PolarHBondContact O-N 2.92Å; L273-S276 PolarHBondContact O-N 3.28Å; L273-S276 PolarHBondContact O-OG 3.35Å; L274-S276 VanDerWaalsContact C-N 3.33Å; L274-S276 PolarHBondContact O-N 2.8Å; S276-G278 VanDerWaalsContact C-N 3.26Å; S276-G278 PolarHBondContact O-N 3.48Å
277	H	95.6	Very high	94.8	Very high	83 Å²	83	46.5 Å²	46.5	38%	0.384	26%	0.259	S	S	.	.	H	α-helix	trans	-78	-8.8	173.9	-81.3	-95.1	0	0	0	113.7	L242 L273 L274	L242-H277 HydrophobicContact CB-CB 4.28Å; L242-H277 HydrophobicContact CD1-CB 3.94Å; L242-H277 HydrophobicContact CD2-CB 4.01Å; L242-H277 HydrophobicContact CG-CB 4.3Å; L273-H277 PolarHBondContact O-N 2.92Å; L273-H277 VanDerWaalsContact O-N 3.11Å; L274-H277 CarbonylContact O-C 3.58Å; L274-H277 PolarHBondContact O-N 2.87Å
278	G	93.7	Very high	94.8	Very high	22 Å²	22	46.3 Å²	46.3	23%	0.227	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	121.2	-1.2	165.3	0	0	0	0	0	116.3	L274 V275 S276 D280 R311	L274-G278 PolarHBondContact O-N 3.33Å; V275-G278 PolarHBondContact O-N 2.88Å; S276-G278 VanDerWaalsContact C-N 3.26Å; S276-G278 PolarHBondContact O-N 3.48Å; G278-D280 PolarHBondContact O-N 3.27Å; G278-R311 PolarHBondContact O-NH1 3.22Å; G278-R311 PolarHBondContact O-NH2 3.27Å
279	G	95.3	Very high	94.8	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.293	C	S	.	.			trans	-53	128.8	-179.5	0	0	0	0	0	113	N249 L274 R311	N249-G279 WeakPolarHBondContact OD1-CA 3.43Å; L274-G279 PolarHBondContact O-N 3.34Å; G279-R311 PolarHBondContact O-NH1 2.99Å
280	D	94.8	Very high	94.8	Very high	43 Å²	43	48.5 Å²	48.5	23%	0.23	28%	0.279	C	S	.	.			trans	-99.4	113.4	-168.7	-163	-37.6	0	0	0	111.6	N249 G278 T282 I283 W308	N249-D280 PolarHBondContact OD1-N 3.1Å; G278-D280 PolarHBondContact O-N 3.27Å; D280-T282 PolarHBondContact O-N 3.16Å; D280-T282 WeakPolarHBondContact OD1-CB 3.38Å; D280-T282 PolarHBondContact OD1-N 3.45Å; D280-T282 PolarHBondContact OD1-OG1 3.47Å; D280-I283 HydrophobicContact CB-CD1 3.98Å; D280-I283 HydrophobicContact CB-CG1 4.09Å; D280-W308 HydrophobicContact CB-CH2 4.4Å; D280-W308 VanDerWaalsContact OD1-CH2 3.27Å; D280-W308 WeakPolarHBondContact OD1-CH2 3.39Å
281	L	95	Very high	94.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-7.8	-178.3	-55.3	-172.6	0	0	0	113.2	I271 V275 A291 F292 V304 W308	I271-L281 HydrophobicContact CG2-CD1 4.19Å; I271-L281 HydrophobicContact CG2-CD2 4.3Å; V275-L281 HydrophobicContact CG2-CD1 3.85Å; V275-L281 HydrophobicContact CG2-CD2 3.88Å; V275-L281 HydrophobicContact CG2-CG 3.84Å; L281-A291 HydrophobicContact CB-CB 4.25Å; L281-A291 HydrophobicContact CD2-CB 4.03Å; L281-F292 HydrophobicContact CB-CE1 4.34Å; L281-F292 HydrophobicContact CB-CE2 3.66Å; L281-F292 HydrophobicContact CB-CZ 3.55Å; L281-F292 HydrophobicContact CD1-CE1 4.14Å; L281-F292 HydrophobicContact CD1-CZ 4.08Å; L281-F292 HydrophobicContact CG-CZ 4.47Å; L281-F292 VanDerWaalsContact O-CE2 3.28Å; L281-F292 WeakPolarHBondContact O-CE2 3.44Å; L281-V304 HydrophobicContact CD1-CG1 3.72Å; L281-W308 HydrophobicContact CB-CD2 4.25Å; L281-W308 HydrophobicContact CB-CE3 3.75Å; L281-W308 HydrophobicContact CB-CZ3 3.92Å; L281-W308 HydrophobicContact CD1-CB 4.16Å; L281-W308 HydrophobicContact CD1-CD2 4.33Å; L281-W308 HydrophobicContact CD1-CE3 3.7Å; L281-W308 HydrophobicContact CD1-CZ3 4.45Å; L281-W308 HydrophobicContact CG-CD2 4.41Å; L281-W308 HydrophobicContact CG-CE3 3.55Å; L281-W308 HydrophobicContact CG-CZ3 3.81Å
282	T	95.1	Very high	94.5	Very high	74 Å²	74	49.9 Å²	49.9	45%	0.454	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-5	-179.8	70.2	0	0	0	0	113.7	D280 F292 W308	D280-T282 PolarHBondContact O-N 3.16Å; D280-T282 WeakPolarHBondContact OD1-CB 3.38Å; D280-T282 PolarHBondContact OD1-N 3.45Å; D280-T282 PolarHBondContact OD1-OG1 3.47Å; T282-F292 HydrophobicContact CG2-CE2 4.31Å; T282-W308 HydrophobicContact CG2-CH2 4.36Å; T282-W308 HydrophobicContact CG2-CZ2 3.62Å
283	I	95.1	Very high	94.3	Very high	51 Å²	51	49.8 Å²	49.8	26%	0.262	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-61.8	133.1	167.5	-64.3	170.9	0	0	0	108.1	N249 T257 H260 D280	N249-I283 HydrophobicContact CB-CD1 3.94Å; T257-I283 HydrophobicContact CG2-CD1 4.06Å; T257-I283 HydrophobicContact CG2-CG2 4.12Å; H260-I283 PolarHBondContact CE1-O 3.16Å; H260-I283 PolarHBondContact NE2-O 3.38Å; D280-I283 HydrophobicContact CB-CD1 3.98Å; D280-I283 HydrophobicContact CB-CG1 4.09Å
284	P	96	Very high	94.1	Very high	76 Å²	76	49.1 Å²	49.1	49%	0.494	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-93.3	146	170.2	34.7	-31.7	0	0	0	112.1	R289 T290	P284-R289 CarbonylContact C-O 3.49Å; P284-R289 VanDerWaalsContact CA-O 3.26Å; P284-R289 WeakPolarHBondContact CA-O 3.21Å; P284-T290 HydrophobicContact CB-CG2 4.38Å
285	T	94	Very high	93.6	Very high	6 Å²	6	50 Å²	50	4%	0.037	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-65.8	169.8	163	68.1	0	0	0	0	111.1	W256 H260 D287 G288 R289 I294	W256-T285 HydrophobicContact CD2-CG2 4.13Å; W256-T285 HydrophobicContact CG-CG2 3.89Å; H260-T285 HydrophobicContact CB-CG2 4.4Å; H260-T285 VanDerWaalsContact CD2-CG2 3.47Å; H260-T285 WeakPolarHBondContact CD2-CG2 3.49Å; T285-D287 PolarHBondContact O-N 3.17Å; T285-D287 VanDerWaalsContact O-N 3.15Å; T285-G288 PolarHBondContact O-N 3.38Å; T285-R289 PolarHBondContact N-O 2.85Å; T285-R289 PolarHBondContact OG1-N 3.45Å; T285-R289 PolarHBondContact OG1-O 3.26Å; T285-I294 HydrophobicContact CG2-CD1 3.83Å
286	P	92.5	Very high	93	Very high	105 Å²	105	56 Å²	56	68%	0.682	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-27	176.1	-29.2	38.7	0	0	0	115.1	D254 G288	D254-P286 VanDerWaalsContact O-CD 3.3Å; D254-P286 WeakPolarHBondContact O-CD 3.11Å; D254-P286 VanDerWaalsContact O-CG 3.28Å; D254-P286 WeakPolarHBondContact O-CG 3.26Å; P286-G288 PolarHBondContact O-N 2.79Å
287	D	91.4	Very high	92.7	Very high	133 Å²	133	57 Å²	57	71%	0.711	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-3.1	174.4	-71.2	-26.3	0	0	0	113.7	T285 R289	T285-D287 PolarHBondContact O-N 3.17Å; T285-D287 VanDerWaalsContact O-N 3.15Å; D287-R289 HydrophobicContact CB-CG 4.49Å
288	G	93.2	Very high	92.4	Very high	56 Å²	56	59.8 Å²	59.8	58%	0.577	34%	0.344	S	S	*	.	S	Bend	trans	81.7	8	-178.4	0	0	0	0	0	114.9	T285 P286	T285-G288 PolarHBondContact O-N 3.38Å; P286-G288 PolarHBondContact O-N 2.79Å
289	R	93.2	Very high	92.3	Very high	137 Å²	137	65.9 Å²	65.9	52%	0.517	37%	0.367	S	S	.	.			trans	-81.1	139.6	173.2	-54.6	-170.5	-164.9	-168.6	7.7	109.9	P284 T285 D287 I294	P284-R289 CarbonylContact C-O 3.49Å; P284-R289 VanDerWaalsContact CA-O 3.26Å; P284-R289 WeakPolarHBondContact CA-O 3.21Å; T285-R289 PolarHBondContact N-O 2.85Å; T285-R289 PolarHBondContact OG1-N 3.45Å; T285-R289 PolarHBondContact OG1-O 3.26Å; D287-R289 HydrophobicContact CB-CG 4.49Å; R289-I294 HydrophobicContact CB-CD1 4.01Å; R289-I294 HydrophobicContact CB-CG1 3.74Å
290	T	94.7	Very high	92	Very high	31 Å²	31	67.3 Å²	67.3	19%	0.19	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-99.4	166.3	167.5	58.4	0	0	0	0	110.2	P284 F292 T293 I294	P284-T290 HydrophobicContact CB-CG2 4.38Å; T290-F292 PolarHBondContact O-N 2.87Å; T290-T293 PolarHBondContact N-OG1 2.98Å; T290-T293 CarbonylContact O-C 3.49Å; T290-T293 WeakPolarHBondContact O-CA 3.28Å; T290-T293 PolarHBondContact O-N 3.31Å; T290-T293 PolarHBondContact O-OG1 3.45Å; T290-T293 PolarHBondContact OG1-OG1 2.91Å; T290-I294 PolarHBondContact O-N 2.77Å
291	A	92.1	Very high	91.9	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-52.1	-39.8	179.9	0	0	0	0	0	113.3	H260 A263 L281 T293 I294 C295	H260-A291 PolarHBondContact CD2-N 2.89Å; H260-A291 VanDerWaalsContact CD2-N 3.3Å; H260-A291 PolarHBondContact NE2-N 3.25Å; A263-A291 HydrophobicContact CB-CB 4.06Å; A263-A291 WeakPolarHBondContact CB-O 3.25Å; L281-A291 HydrophobicContact CB-CB 4.25Å; L281-A291 HydrophobicContact CD2-CB 4.03Å; A291-T293 VanDerWaalsContact C-N 3.32Å; A291-T293 PolarHBondContact O-N 2.93Å; A291-I294 PolarHBondContact O-N 3.28Å; A291-C295 PolarHBondContact O-SG 3.3Å
292	F	93.4	Very high	91.9	Very high	29 Å²	29	73 Å²	73	13%	0.127	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-54	-47.7	173.1	-50.1	-80.3	0	0	0	112	L281 T282 T290 I294 H301 V304 W308	L281-F292 HydrophobicContact CB-CE1 4.34Å; L281-F292 HydrophobicContact CB-CE2 3.66Å; L281-F292 HydrophobicContact CB-CZ 3.55Å; L281-F292 HydrophobicContact CD1-CE1 4.14Å; L281-F292 HydrophobicContact CD1-CZ 4.08Å; L281-F292 HydrophobicContact CG-CZ 4.47Å; L281-F292 VanDerWaalsContact O-CE2 3.28Å; L281-F292 WeakPolarHBondContact O-CE2 3.44Å; T282-F292 HydrophobicContact CG2-CE2 4.31Å; T290-F292 PolarHBondContact O-N 2.87Å; F292-I294 VanDerWaalsContact C-N 3.27Å; F292-I294 PolarHBondContact O-N 3.45Å; F292-H301 PolarHBondContact O-CD2 3.31Å; F292-V304 HydrophobicContact CD1-CG1 3.68Å; F292-V304 HydrophobicContact CE1-CG1 3.93Å; F292-V304 HydrophobicContact CG-CG1 4.46Å; F292-W308 HydrophobicContact CE1-CB 3.73Å; F292-W308 HydrophobicContact CE1-CG 4.06Å; F292-W308 HydrophobicContact CZ-CB 3.8Å; F292-W308 AromaticContact CZ-CD1 3.79Å; F292-W308 HydrophobicContact CZ-CD2 4.05Å; F292-W308 AromaticContact CZ-CG 3.6Å; F292-W308 HydrophobicContact CZ-CG 3.6Å
293	T	92.4	Very high	91.7	Very high	83 Å²	83	72.4 Å²	72.4	51%	0.509	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-84.9	10.5	-176.7	55.2	0	0	0	0	114.6	T290 A291	T290-T293 PolarHBondContact N-OG1 2.98Å; T290-T293 CarbonylContact O-C 3.49Å; T290-T293 WeakPolarHBondContact O-CA 3.28Å; T290-T293 PolarHBondContact O-N 3.31Å; T290-T293 PolarHBondContact O-OG1 3.45Å; T290-T293 PolarHBondContact OG1-OG1 2.91Å; A291-T293 VanDerWaalsContact C-N 3.32Å; A291-T293 PolarHBondContact O-N 2.93Å
294	I	91.1	Very high	91.7	Very high	7 Å²	7	70 Å²	70	4%	0.036	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-106.6	-14.6	172.4	-68.3	-169.8	0	0	0	111.6	W256 H260 C264 T285 R289 T290 A291 F292 D296	W256-I294 HydrophobicContact CE3-CD1 4.39Å; W256-I294 HydrophobicContact CH2-CD1 3.9Å; W256-I294 HydrophobicContact CH2-CG2 4.11Å; W256-I294 HydrophobicContact CZ2-CD1 4.06Å; W256-I294 HydrophobicContact CZ3-CD1 4.08Å; W256-I294 HydrophobicContact CZ3-CG2 4.09Å; H260-I294 HydrophobicContact CB-CD1 4.22Å; C264-I294 HydrophobicContact CB-CG2 3.57Å; T285-I294 HydrophobicContact CG2-CD1 3.83Å; R289-I294 HydrophobicContact CB-CD1 4.01Å; R289-I294 HydrophobicContact CB-CG1 3.74Å; T290-I294 PolarHBondContact O-N 2.77Å; A291-I294 PolarHBondContact O-N 3.28Å; F292-I294 VanDerWaalsContact C-N 3.27Å; F292-I294 PolarHBondContact O-N 3.45Å; I294-D296 PolarHBondContact O-N 3.35Å
295	C	88	Confident	91.6	Very high	19 Å²	19	67.8 Å²	67.8	13%	0.128	37%	0.37	C	S	.	.			trans	-61.5	124.6	173.8	-61.3	0	0	0	0	110.7	A291 N297 H301	A291-C295 PolarHBondContact O-SG 3.3Å; C295-N297 VanDerWaalsContact C-N 3.35Å; C295-N297 PolarHBondContact O-N 3.45Å; C295-H301 HydrophobicContact CB-CB 3.97Å
296	D	82.6	Confident	91.6	Very high	131 Å²	131	70.6 Å²	70.6	70%	0.701	39%	0.387	S	S	*	.	S	Bend	trans	-72.1	-25.5	-178.1	-77.1	-32.4	0	0	0	113.8	I294	I294-D296 PolarHBondContact O-N 3.35Å
297	N	87.2	Confident	91.6	Very high	110 Å²	110	66 Å²	66	59%	0.588	36%	0.357	S	S	*	.	S	Bend	trans	-120.4	147.9	-175.1	-69.2	-33.9	0	0	0	111.8	C295 E299 T300 H301	C295-N297 VanDerWaalsContact C-N 3.35Å; C295-N297 PolarHBondContact O-N 3.45Å; N297-E299 PolarHBondContact O-N 3.47Å; N297-T300 PolarHBondContact O-N 3.3Å; N297-T300 PolarHBondContact O-OG1 2.92Å; N297-T300 VanDerWaalsContact O-OG1 3.12Å; N297-H301 WeakPolarHBondContact O-CB 3.49Å; N297-H301 PolarHBondContact O-N 3.11Å
298	D	90.3	Very high	91.7	Very high	143 Å²	143	61.2 Å²	61.2	77%	0.765	33%	0.329	S	S	*	.	H	α-helix	trans	-57.9	-33.6	175.8	-72.1	-27.4	0	0	0	112.3	D302	D298-D302 WeakPolarHBondContact O-CB 3.19Å; D298-D302 PolarHBondContact O-N 3.21Å
299	E	91	Very high	91.7	Very high	150 Å²	150	62.6 Å²	62.6	70%	0.701	32%	0.323	S	S	*	.	H	α-helix	trans	-66.9	-46.4	179.5	-176.1	166.6	-153.1	0	0	112.5	N297 D302 E303	N297-E299 PolarHBondContact O-N 3.47Å; E299-D302 PolarHBondContact O-N 3.06Å; E299-E303 PolarHBondContact O-N 3.09Å
300	T	89.8	Confident	91.5	Very high	29 Å²	29	60.9 Å²	60.9	18%	0.178	32%	0.322	C	S	.	.	H	α-helix	trans	-71	-36.9	176	51	0	0	0	0	111.3	M268 N297 D302 E303 V304	M268-T300 HydrophobicContact CE-CG2 3.98Å; N297-T300 PolarHBondContact O-N 3.3Å; N297-T300 PolarHBondContact O-OG1 2.92Å; N297-T300 VanDerWaalsContact O-OG1 3.12Å; T300-D302 PolarHBondContact O-N 2.97Å; T300-E303 PolarHBondContact O-N 3.49Å; T300-V304 WeakPolarHBondContact O-CB 3.16Å; T300-V304 VanDerWaalsContact O-CG2 3.26Å; T300-V304 WeakPolarHBondContact O-CG2 3.38Å; T300-V304 PolarHBondContact O-N 3.32Å
301	H	92.6	Very high	91.3	Very high	62 Å²	62	61.5 Å²	61.5	29%	0.287	32%	0.321	S	S	.	.	H	α-helix	trans	-55.3	-49.8	170.9	170.3	-79.8	0	0	0	111.9	F292 C295 N297 V304 C305	F292-H301 PolarHBondContact O-CD2 3.31Å; C295-H301 HydrophobicContact CB-CB 3.97Å; N297-H301 WeakPolarHBondContact O-CB 3.49Å; N297-H301 PolarHBondContact O-N 3.11Å; H301-V304 PolarHBondContact O-N 3.38Å; H301-C305 VanDerWaalsContact CE1-SG 3.55Å; H301-C305 WeakPolarHBondContact O-CB 3.43Å; H301-C305 PolarHBondContact O-N 2.85Å; H301-C305 PolarHBondContact O-SG 3.2Å
302	D	93.5	Very high	91.1	Very high	101 Å²	101	64.4 Å²	64.4	54%	0.54	34%	0.335	S	S	.	.	H	α-helix	trans	-69.5	-37.4	-178.4	-88.2	12.4	0	0	0	111.8	D298 E299 T300 C305 T306	D298-D302 WeakPolarHBondContact O-CB 3.19Å; D298-D302 PolarHBondContact O-N 3.21Å; E299-D302 PolarHBondContact O-N 3.06Å; T300-D302 PolarHBondContact O-N 2.97Å; D302-C305 CarbonylContact O-C 3.57Å; D302-C305 WeakPolarHBondContact O-CB 3.39Å; D302-C305 PolarHBondContact O-N 3.16Å; D302-T306 VanDerWaalsContact O-CG2 3.31Å; D302-T306 WeakPolarHBondContact O-CG2 3.43Å; D302-T306 PolarHBondContact O-N 3.43Å
303	E	92.7	Very high	90.9	Very high	61 Å²	61	69.4 Å²	69.4	29%	0.285	36%	0.356	S	S	.	.	H	α-helix	trans	-61.5	-48.7	172.8	-177.9	162.3	175	0	0	111.7	M268 R272 E299 T300 C305 T306 I307	M268-E303 HydrophobicContact CB-CG 4.36Å; M268-E303 WeakPolarHBondContact CB-OE1 3.36Å; M268-E303 HydrophobicContact CG-CB 4.41Å; M268-E303 VanDerWaalsContact CG-CD 3.47Å; M268-E303 HydrophobicContact CG-CG 4Å; M268-E303 HydrophobicContact SD-CB 3.92Å; M268-E303 HydrophobicContact SD-CG 3.82Å; R272-E303 IonicContact CZ-OE1 2.71Å; R272-E303 VanDerWaalsContact CZ-OE1 3.29Å; R272-E303 IonicContact NE-OE1 3.22Å; R272-E303 PolarHBondContact NE-OE1 3.36Å; R272-E303 VanDerWaalsContact NE-OE1 3.11Å; R272-E303 IonicContact NH2-OE1 3.86Å; R272-E303 PolarHBondContact NH2-OE1 3.23Å; E299-E303 PolarHBondContact O-N 3.09Å; T300-E303 PolarHBondContact O-N 3.49Å; E303-C305 VanDerWaalsContact C-N 3.25Å; E303-C305 PolarHBondContact O-N 3.34Å; E303-T306 WeakPolarHBondContact O-CA 3.5Å; E303-T306 PolarHBondContact O-N 3.21Å; E303-T306 PolarHBondContact O-OG1 3.03Å; E303-I307 HydrophobicContact CG-CD1 3.82Å; E303-I307 HydrophobicContact CG-CG1 4.33Å; E303-I307 WeakPolarHBondContact O-CG1 3.18Å; E303-I307 PolarHBondContact O-N 3.14Å
304	V	94	Very high	90.6	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-57.5	-39.5	174.6	176.2	0	0	0	0	111.3	M268 I271 L281 F292 T300 H301 I307 W308	M268-V304 HydrophobicContact CE-CG2 3.78Å; M268-V304 HydrophobicContact SD-CG2 3.6Å; M268-V304 VanDerWaalsContact SD-CG2 3.6Å; I271-V304 HydrophobicContact CD1-CG2 3.51Å; L281-V304 HydrophobicContact CD1-CG1 3.72Å; F292-V304 HydrophobicContact CD1-CG1 3.68Å; F292-V304 HydrophobicContact CE1-CG1 3.93Å; F292-V304 HydrophobicContact CG-CG1 4.46Å; T300-V304 WeakPolarHBondContact O-CB 3.16Å; T300-V304 VanDerWaalsContact O-CG2 3.26Å; T300-V304 WeakPolarHBondContact O-CG2 3.38Å; T300-V304 PolarHBondContact O-N 3.32Å; H301-V304 PolarHBondContact O-N 3.38Å; V304-I307 PolarHBondContact O-N 3.25Å; V304-W308 PolarHBondContact O-N 3.01Å; V304-W308 VanDerWaalsContact O-N 3.09Å
305	C	94.1	Very high	90.3	Very high	31 Å²	31	75.6 Å²	75.6	21%	0.209	38%	0.378	C	S	.	.	H	α-helix	trans	-62.3	-41.2	171	-75.2	0	0	0	0	112.6	H301 D302 E303 N309	H301-C305 VanDerWaalsContact CE1-SG 3.55Å; H301-C305 WeakPolarHBondContact O-CB 3.43Å; H301-C305 PolarHBondContact O-N 2.85Å; H301-C305 PolarHBondContact O-SG 3.2Å; D302-C305 CarbonylContact O-C 3.57Å; D302-C305 WeakPolarHBondContact O-CB 3.39Å; D302-C305 PolarHBondContact O-N 3.16Å; E303-C305 VanDerWaalsContact C-N 3.25Å; E303-C305 PolarHBondContact O-N 3.34Å; C305-N309 WeakPolarHBondContact O-CB 3.3Å; C305-N309 PolarHBondContact O-N 2.81Å; C305-N309 PolarHBondContact O-ND2 3.1Å
306	T	94.3	Very high	90.2	Very high	64 Å²	64	77.4 Å²	77.4	39%	0.393	39%	0.391	S	S	.	.	H	α-helix	trans	-65.2	-44.7	176.5	71.5	0	0	0	0	112	D302 E303 W308 N309 M310	D302-T306 VanDerWaalsContact O-CG2 3.31Å; D302-T306 WeakPolarHBondContact O-CG2 3.43Å; D302-T306 PolarHBondContact O-N 3.43Å; E303-T306 WeakPolarHBondContact O-CA 3.5Å; E303-T306 PolarHBondContact O-N 3.21Å; E303-T306 PolarHBondContact O-OG1 3.03Å; T306-W308 PolarHBondContact O-N 3.27Å; T306-N309 PolarHBondContact O-N 3.46Å; T306-M310 WeakPolarHBondContact O-CG 3.32Å; T306-M310 PolarHBondContact O-N 3.13Å
307	I	93	Very high	90.2	Very high	10 Å²	10	74.4 Å²	74.4	5%	0.051	38%	0.38	C	S	.	.	H	α-helix	trans	-58	-48.2	179.7	-65.6	160.7	0	0	0	110.1	M268 I271 R272 V275 E303 V304 M310 R311	M268-I307 HydrophobicContact SD-CD1 4.46Å; I271-I307 HydrophobicContact CB-CD1 4.41Å; I271-I307 HydrophobicContact CG2-CD1 4.14Å; I271-I307 HydrophobicContact CG2-CG2 4.3Å; R272-I307 HydrophobicContact CG-CD1 3.68Å; R272-I307 HydrophobicContact CG-CG1 3.81Å; R272-I307 HydrophobicContact CG-CG2 4.21Å; V275-I307 HydrophobicContact CB-CG2 4.16Å; V275-I307 HydrophobicContact CG1-CG2 4.07Å; V275-I307 HydrophobicContact CG2-CG2 4.2Å; E303-I307 HydrophobicContact CG-CD1 3.82Å; E303-I307 HydrophobicContact CG-CG1 4.33Å; E303-I307 WeakPolarHBondContact O-CG1 3.18Å; E303-I307 PolarHBondContact O-N 3.14Å; V304-I307 PolarHBondContact O-N 3.25Å; I307-M310 PolarHBondContact O-N 3.27Å; I307-R311 PolarHBondContact O-N 3.27Å; I307-R311 VanDerWaalsContact O-N 3.1Å
308	W	93.4	Very high	89.9	Confident	31 Å²	31	71.7 Å²	71.7	12%	0.117	37%	0.373	C	S	.	.	H	α-helix	trans	-62.4	-45.3	176.8	-168	-112.8	0	0	0	113	V275 D280 L281 T282 F292 V304 T306 M310 R311 E312	V275-W308 HydrophobicContact CG1-CE3 4.46Å; D280-W308 HydrophobicContact CB-CH2 4.4Å; D280-W308 VanDerWaalsContact OD1-CH2 3.27Å; D280-W308 WeakPolarHBondContact OD1-CH2 3.39Å; L281-W308 HydrophobicContact CB-CD2 4.25Å; L281-W308 HydrophobicContact CB-CE3 3.75Å; L281-W308 HydrophobicContact CB-CZ3 3.92Å; L281-W308 HydrophobicContact CD1-CB 4.16Å; L281-W308 HydrophobicContact CD1-CD2 4.33Å; L281-W308 HydrophobicContact CD1-CE3 3.7Å; L281-W308 HydrophobicContact CD1-CZ3 4.45Å; L281-W308 HydrophobicContact CG-CD2 4.41Å; L281-W308 HydrophobicContact CG-CE3 3.55Å; L281-W308 HydrophobicContact CG-CZ3 3.81Å; T282-W308 HydrophobicContact CG2-CH2 4.36Å; T282-W308 HydrophobicContact CG2-CZ2 3.62Å; F292-W308 HydrophobicContact CE1-CB 3.73Å; F292-W308 HydrophobicContact CE1-CG 4.06Å; F292-W308 HydrophobicContact CZ-CB 3.8Å; F292-W308 AromaticContact CZ-CD1 3.79Å; F292-W308 HydrophobicContact CZ-CD2 4.05Å; F292-W308 AromaticContact CZ-CG 3.6Å; F292-W308 HydrophobicContact CZ-CG 3.6Å; V304-W308 PolarHBondContact O-N 3.01Å; V304-W308 VanDerWaalsContact O-N 3.09Å; T306-W308 PolarHBondContact O-N 3.27Å; W308-M310 VanDerWaalsContact C-N 3.28Å; W308-M310 PolarHBondContact O-N 3.12Å; W308-R311 WeakPolarHBondContact O-CB 3.24Å; W308-R311 PolarHBondContact O-N 3.21Å; W308-R311 VanDerWaalsContact O-N 3.16Å; W308-E312 PolarHBondContact O-N 3.01Å
309	N	92.6	Very high	89.4	Confident	86 Å²	86	70.8 Å²	70.8	46%	0.46	36%	0.362	S	S	.	.	H	α-helix	trans	-66.7	-29.2	179.4	-80.4	-65	0	0	0	112.5	C305 T306 K313	C305-N309 WeakPolarHBondContact O-CB 3.3Å; C305-N309 PolarHBondContact O-N 2.81Å; C305-N309 PolarHBondContact O-ND2 3.1Å; T306-N309 PolarHBondContact O-N 3.46Å; N309-K313 WeakPolarHBondContact O-CB 3.31Å; N309-K313 WeakPolarHBondContact O-CD 3.43Å; N309-K313 WeakPolarHBondContact O-CG 3.39Å; N309-K313 PolarHBondContact O-N 3.46Å; N309-K313 VanDerWaalsContact O-N 3.11Å
310	M	89.4	Confident	88.6	Confident	101 Å²	101	68.7 Å²	68.7	50%	0.498	36%	0.355	S	S	.	.	H	α-helix	trans	-66.8	-45.3	169.9	-71.1	-172.6	-166.7	0	0	111.3	T306 I307 W308 E312 K313 L314	T306-M310 WeakPolarHBondContact O-CG 3.32Å; T306-M310 PolarHBondContact O-N 3.13Å; I307-M310 PolarHBondContact O-N 3.27Å; W308-M310 VanDerWaalsContact C-N 3.28Å; W308-M310 PolarHBondContact O-N 3.12Å; M310-E312 PolarHBondContact O-N 2.97Å; M310-K313 PolarHBondContact O-N 3.22Å; M310-L314 WeakPolarHBondContact O-CG 3.5Å; M310-L314 PolarHBondContact O-N 2.81Å
311	R	89.8	Confident	87.6	Confident	44 Å²	44	74.2 Å²	74.2	17%	0.166	38%	0.38	C	S	.	.	H	α-helix	trans	-58.1	-46.8	174.2	174.8	173.2	174.7	-170.8	4.4	112.4	V275 G278 G279 I307 W308 K313 L314 R315	V275-R311 HydrophobicContact CG1-CB 3.89Å; V275-R311 VanDerWaalsContact CG1-CD 3.41Å; V275-R311 HydrophobicContact CG1-CG 4.25Å; G278-R311 PolarHBondContact O-NH1 3.22Å; G278-R311 PolarHBondContact O-NH2 3.27Å; G279-R311 PolarHBondContact O-NH1 2.99Å; I307-R311 PolarHBondContact O-N 3.27Å; I307-R311 VanDerWaalsContact O-N 3.1Å; W308-R311 WeakPolarHBondContact O-CB 3.24Å; W308-R311 PolarHBondContact O-N 3.21Å; W308-R311 VanDerWaalsContact O-N 3.16Å; R311-K313 PolarHBondContact O-N 3.25Å; R311-L314 PolarHBondContact O-N 2.96Å; R311-R315 WeakPolarHBondContact O-CB 3.42Å; R311-R315 PolarHBondContact O-N 2.86Å
312	E	88.4	Confident	86.2	Confident	61 Å²	61	76.6 Å²	76.6	29%	0.285	40%	0.395	S	S	.	.	H	α-helix	trans	-67.7	-34	179.7	-74.4	-46.8	115.2	0	0	113.1	W308 M310 R315 S316	W308-E312 PolarHBondContact O-N 3.01Å; M310-E312 PolarHBondContact O-N 2.97Å; E312-R315 PolarHBondContact O-N 3.17Å; E312-R315 IonicContact OE1-CZ 2.65Å; E312-R315 IonicContact OE1-NE 3.11Å; E312-R315 PolarHBondContact OE1-NE 3.07Å; E312-R315 IonicContact OE1-NH2 2.65Å; E312-R315 PolarHBondContact OE1-NH2 2.82Å; E312-R315 IonicContact OE2-NE 3.29Å; E312-R315 PolarHBondContact OE2-NE 3.44Å; E312-S316 WeakPolarHBondContact O-CB 3.43Å; E312-S316 PolarHBondContact O-N 3.47Å; E312-S316 PolarHBondContact O-OG 2.87Å
313	K	88.6	Confident	84.7	Confident	134 Å²	134	75 Å²	75	58%	0.583	39%	0.392	S	S	*	.	H	α-helix	trans	-58.6	-50.3	169.8	-73.9	164	-171.8	171.4	0	110.7	N309 M310 R311 S316 C317	N309-K313 WeakPolarHBondContact O-CB 3.31Å; N309-K313 WeakPolarHBondContact O-CD 3.43Å; N309-K313 WeakPolarHBondContact O-CG 3.39Å; N309-K313 PolarHBondContact O-N 3.46Å; N309-K313 VanDerWaalsContact O-N 3.11Å; M310-K313 PolarHBondContact O-N 3.22Å; R311-K313 PolarHBondContact O-N 3.25Å; K313-S316 PolarHBondContact O-N 2.88Å; K313-S316 PolarHBondContact O-OG 3.47Å; K313-C317 PolarHBondContact O-N 3.4Å; K313-C317 PolarHBondContact O-SG 3.37Å
314	L	85.3	Confident	83	Confident	126 Å²	126	78.2 Å²	78.2	66%	0.66	41%	0.411	S	S	*	.	H	α-helix	trans	-60.7	-46.3	176.6	-67.7	170.7	0	0	0	112	M310 R311 S316 C317 A318	M310-L314 WeakPolarHBondContact O-CG 3.5Å; M310-L314 PolarHBondContact O-N 2.81Å; R311-L314 PolarHBondContact O-N 2.96Å; L314-S316 PolarHBondContact O-N 3.32Å; L314-C317 PolarHBondContact O-N 2.89Å; L314-C317 VanDerWaalsContact O-N 3.14Å; L314-A318 PolarHBondContact O-N 3.33Å
315	R	85.5	Confident	81.1	Confident	93 Å²	93	82.8 Å²	82.8	35%	0.351	44%	0.443	S	S	.	.	H	α-helix	trans	-60	-32.7	176.8	-156.5	-157	-61.5	-118.5	14.3	112.1	R311 E312 K319	R311-R315 WeakPolarHBondContact O-CB 3.42Å; R311-R315 PolarHBondContact O-N 2.86Å; E312-R315 PolarHBondContact O-N 3.17Å; E312-R315 IonicContact OE1-CZ 2.65Å; E312-R315 IonicContact OE1-NE 3.11Å; E312-R315 PolarHBondContact OE1-NE 3.07Å; E312-R315 IonicContact OE1-NH2 2.65Å; E312-R315 PolarHBondContact OE1-NH2 2.82Å; E312-R315 IonicContact OE2-NE 3.29Å; E312-R315 PolarHBondContact OE2-NE 3.44Å; R315-K319 WeakPolarHBondContact O-CD 3.33Å; R315-K319 VanDerWaalsContact O-CG 3.32Å; R315-K319 WeakPolarHBondContact O-CG 3.48Å
316	S	85.5	Confident	79.1	Confident	57 Å²	57	85.5 Å²	85.5	40%	0.399	46%	0.463	S	S	.	.	H	α-helix	trans	-74.9	-39.6	175.3	79.1	0	0	0	0	112.5	E312 K313 L314 K319 L320	E312-S316 WeakPolarHBondContact O-CB 3.43Å; E312-S316 PolarHBondContact O-N 3.47Å; E312-S316 PolarHBondContact O-OG 2.87Å; K313-S316 PolarHBondContact O-N 2.88Å; K313-S316 PolarHBondContact O-OG 3.47Å; L314-S316 PolarHBondContact O-N 3.32Å; S316-K319 PolarHBondContact O-N 3.32Å; S316-L320 PolarHBondContact O-N 3.26Å
317	C	83.1	Confident	76.8	Confident	69 Å²	69	89.8 Å²	89.8	47%	0.466	48%	0.481	S	S	.	.	H	α-helix	trans	-65.5	-43.6	178.8	-65.7	0	0	0	0	111.8	K313 L314 K319 L320 M321	K313-C317 PolarHBondContact O-N 3.4Å; K313-C317 PolarHBondContact O-SG 3.37Å; L314-C317 PolarHBondContact O-N 2.89Å; L314-C317 VanDerWaalsContact O-N 3.14Å; C317-K319 PolarHBondContact O-N 3Å; C317-L320 WeakPolarHBondContact O-CB 3.17Å; C317-L320 PolarHBondContact O-N 3.11Å; C317-L320 VanDerWaalsContact O-N 3.1Å; C317-M321 PolarHBondContact O-N 2.86Å; C317-M321 VanDerWaalsContact O-N 3.14Å
318	A	81.9	Confident	74.7	Confident	52 Å²	52	97.7 Å²	97.7	43%	0.43	52%	0.516	S	S	.	.	H	α-helix	trans	-56.9	-46.8	176	0	0	0	0	0	112.2	L314 L320 M321 D322	L314-A318 PolarHBondContact O-N 3.33Å; A318-L320 PolarHBondContact O-N 2.96Å; A318-M321 WeakPolarHBondContact O-CB 3.34Å; A318-M321 PolarHBondContact O-N 3.17Å; A318-D322 PolarHBondContact O-N 3.27Å
319	K	79.6	Confident	72.3	Confident	124 Å²	124	102.1 Å²	102.1	54%	0.539	55%	0.548	S	S	.	.	H	α-helix	trans	-59.3	-33	176.6	-69.5	168	-175.8	172.1	0	113	R315 S316 C317 S323	R315-K319 WeakPolarHBondContact O-CD 3.33Å; R315-K319 VanDerWaalsContact O-CG 3.32Å; R315-K319 WeakPolarHBondContact O-CG 3.48Å; S316-K319 PolarHBondContact O-N 3.32Å; C317-K319 PolarHBondContact O-N 3Å; K319-S323 WeakPolarHBondContact O-CB 3.47Å; K319-S323 PolarHBondContact O-N 3.06Å; K319-S323 VanDerWaalsContact O-N 3.08Å; K319-S323 PolarHBondContact O-OG 2.79Å
320	L	72.8	Confident	69.7	Low	106 Å²	106	106 Å²	106	56%	0.555	56%	0.561	S	S	*	*	H	α-helix	trans	-70.6	-39.7	175.9	-68.5	172	0	0	0	111.4	S316 C317 A318 S323 N324	S316-L320 PolarHBondContact O-N 3.26Å; C317-L320 WeakPolarHBondContact O-CB 3.17Å; C317-L320 PolarHBondContact O-N 3.11Å; C317-L320 VanDerWaalsContact O-N 3.1Å; A318-L320 PolarHBondContact O-N 2.96Å; L320-S323 PolarHBondContact O-N 2.89Å; L320-S323 PolarHBondContact O-OG 2.84Å; L320-N324 PolarHBondContact O-N 2.86Å; L320-N324 PolarHBondContact O-ND2 3.39Å
321	M	69.3	Low	67.5	Low	145 Å²	145	112.6 Å²	112.6	71%	0.714	58%	0.581	S	S	*	*	H	α-helix	trans	-63.2	-47.5	174.7	-64.6	177.5	68.6	0	0	111.6	C317 A318 S323 N324 S325	C317-M321 PolarHBondContact O-N 2.86Å; C317-M321 VanDerWaalsContact O-N 3.14Å; A318-M321 WeakPolarHBondContact O-CB 3.34Å; A318-M321 PolarHBondContact O-N 3.17Å; M321-S323 VanDerWaalsContact C-N 3.31Å; M321-S323 PolarHBondContact O-N 3.25Å; M321-N324 PolarHBondContact O-N 3.24Å; M321-S325 PolarHBondContact O-N 3.4Å
322	D	62.9	Low	65.2	Low	113 Å²	113	120.8 Å²	120.8	60%	0.604	61%	0.611	S	S	*	*	H	α-helix	trans	-54	-47.6	173.5	-74.8	-25.9	0	0	0	111.5	A318 N324 S325	A318-D322 PolarHBondContact O-N 3.27Å; D322-N324 PolarHBondContact O-N 3.48Å; D322-S325 WeakPolarHBondContact O-CB 3.32Å; D322-S325 PolarHBondContact O-N 3.04Å; D322-S325 PolarHBondContact O-OG 2.82Å
323	S	62.6	Low	63.1	Low	67 Å²	67	129.2 Å²	129.2	47%	0.469	64%	0.641	S	S	.	*	H	α-helix	trans	-66.3	-35.4	-178.1	74.5	0	0	0	0	113.3	K319 L320 M321 S325 S326	K319-S323 WeakPolarHBondContact O-CB 3.47Å; K319-S323 PolarHBondContact O-N 3.06Å; K319-S323 VanDerWaalsContact O-N 3.08Å; K319-S323 PolarHBondContact O-OG 2.79Å; L320-S323 PolarHBondContact O-N 2.89Å; L320-S323 PolarHBondContact O-OG 2.84Å; M321-S323 VanDerWaalsContact C-N 3.31Å; M321-S323 PolarHBondContact O-N 3.25Å; S323-S325 VanDerWaalsContact C-N 3.35Å; S323-S326 VanDerWaalsContact O-CB 3.25Å; S323-S326 WeakPolarHBondContact O-CB 3.35Å; S323-S326 PolarHBondContact O-N 3.2Å
324	N	57.3	Low	60.8	Low	129 Å²	129	134.7 Å²	134.7	69%	0.69	66%	0.658	S	S	*	*	H	α-helix	trans	-73.1	-24.7	176.1	-79.4	-32.2	0	0	0	113	L320 M321 D322 S326	L320-N324 PolarHBondContact O-N 2.86Å; L320-N324 PolarHBondContact O-ND2 3.39Å; M321-N324 PolarHBondContact O-N 3.24Å; D322-N324 PolarHBondContact O-N 3.48Å; N324-S326 PolarHBondContact O-N 3.09Å
325	S	54.5	Low	58.7	Low	95 Å²	95	134.3 Å²	134.3	66%	0.664	67%	0.666	S	S	*	*	H	α-helix	trans	-65	-18.6	170.7	83.2	0	0	0	0	113	M321 D322 S323 I327	M321-S325 PolarHBondContact O-N 3.4Å; D322-S325 WeakPolarHBondContact O-CB 3.32Å; D322-S325 PolarHBondContact O-N 3.04Å; D322-S325 PolarHBondContact O-OG 2.82Å; S323-S325 VanDerWaalsContact C-N 3.35Å; S325-I327 PolarHBondContact O-N 3.49Å
326	S	50.5	Low	56.8	Low	89 Å²	89	133.7 Å²	133.7	62%	0.622	69%	0.688	S	S	*	*			trans	-77.3	56.9	-175.9	-150.9	0	0	0	0	113.5	S323 N324 K328	S323-S326 VanDerWaalsContact O-CB 3.25Å; S323-S326 WeakPolarHBondContact O-CB 3.35Å; S323-S326 PolarHBondContact O-N 3.2Å; N324-S326 PolarHBondContact O-N 3.09Å; S326-K328 VanDerWaalsContact C-N 3.33Å; S326-K328 PolarHBondContact O-N 3.26Å
327	I	46	Very low	54.6	Low	153 Å²	153	136.5 Å²	136.5	79%	0.785	71%	0.707	S	S	*	*			trans	-64.5	95.1	167.9	-59.7	-179.3	0	0	0	108.1	S325	S325-I327 PolarHBondContact O-N 3.49Å
328	K	49.6	Very low	52.6	Low	177 Å²	177	141 Å²	141	77%	0.77	73%	0.726	S	S	*	*			trans	-46.3	130.8	178.3	-66.6	175.7	-177.6	171.6	0	110	S326 F330	S326-K328 VanDerWaalsContact C-N 3.33Å; S326-K328 PolarHBondContact O-N 3.26Å; K328-F330 PolarHBondContact O-N 3.35Å
329	P	42.5	Very low	50.8	Low	123 Å²	123	145.8 Å²	145.8	80%	0.799	74%	0.743	S	S	*	*			trans	-62.5	102	-174.4	23.9	-33.8	0	0	0	110.5	R331	P329-R331 PolarHBondContact O-N 3.01Å; P329-R331 VanDerWaalsContact O-N 3.09Å
330	F	39.6	Very low	49.3	Very low	167 Å²	167	148.7 Å²	148.7	73%	0.732	76%	0.758	S	S	*	*			trans	-61.1	113.9	-175.3	-167.5	-80.8	0	0	0	109.2	K328 R332	K328-F330 PolarHBondContact O-N 3.35Å; F330-R332 HydrophobicContact CD1-CB 4.23Å; F330-R332 HydrophobicContact CD1-CG 4.3Å; F330-R332 HydrophobicContact CE1-CG 4.45Å; F330-R332 PolarHBondContact O-N 3.41Å
331	R	42.7	Very low	47.8	Very low	241 Å²	241	154.8 Å²	154.8	91%	0.909	77%	0.774	S	S	*	*			trans	-67.7	70.2	-179.3	-74.5	-170	175.2	-159.5	1.3	111.7	P329 R333	P329-R331 PolarHBondContact O-N 3.01Å; P329-R331 VanDerWaalsContact O-N 3.09Å; R331-R333 PolarHBondContact O-N 3.12Å
332	R	41.5	Very low	46.9	Very low	216 Å²	216	152.2 Å²	152.2	82%	0.815	77%	0.77	S	S	*	*			trans	-70.5	112.9	177.9	-138.9	178.2	-71.9	-167.6	-0.8	108.2	F330	F330-R332 HydrophobicContact CD1-CB 4.23Å; F330-R332 HydrophobicContact CD1-CG 4.3Å; F330-R332 HydrophobicContact CE1-CG 4.45Å; F330-R332 PolarHBondContact O-N 3.41Å
333	R	44.5	Very low	46.1	Very low	238 Å²	238	149.8 Å²	149.8	90%	0.898	76%	0.762	S	S	*	*			trans	-58.3	140.7	-177.5	-65.9	179.2	177.7	178.2	-1.3	110.3	R331 S335	R331-R333 PolarHBondContact O-N 3.12Å; R333-S335 PolarHBondContact O-N 3.24Å
334	R	39.5	Very low	45.5	Very low	249 Å²	249	154 Å²	154	94%	0.94	78%	0.778	S	S	*	*			trans	-63.3	119.2	170.7	-84	-175.5	173	177.9	-2	110
335	S	42.2	Very low	45.4	Very low	118 Å²	118	156.8 Å²	156.8	83%	0.825	78%	0.779	S	S	*	*			trans	-164.7	144.2	157.8	-78.8	0	0	0	0	108.9	R333	R333-S335 PolarHBondContact O-N 3.24Å
336	G	44.4	Very low	45.4	Very low	80 Å²	80	155.8 Å²	155.8	83%	0.825	77%	0.766	S	S	*	*			trans	65.1	93.3	159.2	0	0	0	0	0	117.6	L338	G336-L338 PolarHBondContact O-N 3.34Å
337	S	38.8	Very low	45.7	Very low	115 Å²	115	158.7 Å²	158.7	80%	0.804	77%	0.768	S	S	*	*			trans	-26.8	126.2	154.7	165.1	0	0	0	0	116
338	L	41.3	Very low	46.4	Very low	164 Å²	164	154.5 Å²	154.5	86%	0.859	75%	0.752	S	S	*	*			trans	-169.5	93.3	133.1	-103.8	167.1	0	0	0	109.3	G336	G336-L338 PolarHBondContact O-N 3.34Å
339	I	44.8	Very low	47.1	Very low	152 Å²	152	150 Å²	150	78%	0.779	74%	0.736	S	S	*	*			trans	-95	104.4	178.6	-60.4	176.8	0	0	0	109.2	R341	I339-R341 HydrophobicContact CG2-CG 4.42Å; I339-R341 PolarHBondContact O-N 3.13Å
340	H	47.9	Very low	48.1	Very low	186 Å²	186	148.6 Å²	148.6	86%	0.861	72%	0.722	S	S	*	*			trans	-66.2	111.9	161.7	-117.2	-80	0	0	0	108.7	S342	H340-S342 PolarHBondContact O-N 3.02Å
341	R	42.2	Very low	49.8	Very low	233 Å²	233	144.3 Å²	144.3	88%	0.879	71%	0.712	S	S	*	*			trans	-80	88.9	173.3	-78.5	178.2	162.5	157.2	-6.5	109.9	I339	I339-R341 HydrophobicContact CG2-CG 4.42Å; I339-R341 PolarHBondContact O-N 3.13Å
342	S	48.6	Very low	51.3	Low	92 Å²	92	142.1 Å²	142.1	64%	0.643	70%	0.704	S	S	*	*			trans	-65.3	157.2	150.8	47.5	0	0	0	0	109.6	H340	H340-S342 PolarHBondContact O-N 3.02Å
343	S	47	Very low	52.9	Low	62 Å²	62	139.4 Å²	139.4	43%	0.434	69%	0.694	S	S	.	*			trans	-74.2	146.1	-167.3	-169	0	0	0	0	111.7	R345 D346	S343-R345 PolarHBondContact O-N 3.07Å; S343-R345 WeakPolarHBondContact OG-CB 3.28Å; S343-R345 PolarHBondContact OG-N 2.91Å; S343-D346 WeakPolarHBondContact CA-OD2 3.32Å; S343-D346 WeakPolarHBondContact CB-OD2 3.27Å; S343-D346 PolarHBondContact N-OD2 3.47Å; S343-D346 WeakPolarHBondContact O-CB 3.4Å; S343-D346 PolarHBondContact O-N 2.85Å
344	L	50.3	Low	54.5	Low	154 Å²	154	133.4 Å²	133.4	81%	0.806	68%	0.676	S	S	*	*	H	α-helix	trans	-58.8	-27.1	167	-72.4	172.3	0	0	0	111.5	D346 K347 S348	L344-D346 VanDerWaalsContact C-N 3.26Å; L344-D346 PolarHBondContact O-N 3.04Å; L344-K347 PolarHBondContact O-N 2.72Å; L344-S348 PolarHBondContact O-N 3.28Å; L344-S348 PolarHBondContact O-OG 2.88Å
345	R	54.4	Low	56.2	Low	188 Å²	188	124 Å²	124	71%	0.709	65%	0.652	S	S	*	*	H	α-helix	trans	-62	-33.1	174.9	-149.7	175.6	-163.3	176.1	4.2	112.3	S343 S348 N349	S343-R345 PolarHBondContact O-N 3.07Å; S343-R345 WeakPolarHBondContact OG-CB 3.28Å; S343-R345 PolarHBondContact OG-N 2.91Å; R345-S348 PolarHBondContact O-OG 3.17Å; R345-N349 WeakPolarHBondContact O-CB 3.45Å; R345-N349 PolarHBondContact O-N 3.21Å; R345-N349 VanDerWaalsContact O-N 3.07Å; R345-N349 PolarHBondContact O-ND2 3.43Å; R345-N349 PolarHBondContact O-OD1 3.47Å
346	D	55.7	Low	57.9	Low	74 Å²	74	124.9 Å²	124.9	40%	0.396	64%	0.641	S	S	.	*	H	α-helix	trans	-73.4	-36.7	-177.2	-50.6	-31.7	0	0	0	110.6	S343 L344 N349 L350	S343-D346 WeakPolarHBondContact CA-OD2 3.32Å; S343-D346 WeakPolarHBondContact CB-OD2 3.27Å; S343-D346 PolarHBondContact N-OD2 3.47Å; S343-D346 WeakPolarHBondContact O-CB 3.4Å; S343-D346 PolarHBondContact O-N 2.85Å; L344-D346 VanDerWaalsContact C-N 3.26Å; L344-D346 PolarHBondContact O-N 3.04Å; D346-N349 PolarHBondContact O-N 2.99Å; D346-L350 PolarHBondContact O-N 2.78Å
347	K	56.2	Low	59.4	Low	150 Å²	150	124.8 Å²	124.8	65%	0.652	62%	0.619	S	S	*	*	H	α-helix	trans	-68.5	-38.8	175.9	-75.9	-170.8	170.5	-171.7	0	113.4	L344 N349	L344-K347 PolarHBondContact O-N 2.72Å; K347-N349 VanDerWaalsContact C-N 3.27Å
348	S	60.7	Low	60.9	Low	65 Å²	65	126.2 Å²	126.2	46%	0.455	61%	0.613	S	S	.	*	H	α-helix	trans	-68.5	-29.3	171.9	51.5	0	0	0	0	112.5	L344 R345 R352	L344-S348 PolarHBondContact O-N 3.28Å; L344-S348 PolarHBondContact O-OG 2.88Å; R345-S348 PolarHBondContact O-OG 3.17Å; S348-R352 WeakPolarHBondContact O-CB 3.47Å; S348-R352 PolarHBondContact O-N 2.83Å
349	N	65.1	Low	62.3	Low	82 Å²	82	120.5 Å²	120.5	44%	0.439	59%	0.589	S	S	.	*	H	α-helix	trans	-80	-34.4	179.3	-71.8	-5.3	0	0	0	112.6	R345 D346 K347 R352 R353	R345-N349 WeakPolarHBondContact O-CB 3.45Å; R345-N349 PolarHBondContact O-N 3.21Å; R345-N349 VanDerWaalsContact O-N 3.07Å; R345-N349 PolarHBondContact O-ND2 3.43Å; R345-N349 PolarHBondContact O-OD1 3.47Å; D346-N349 PolarHBondContact O-N 2.99Å; K347-N349 VanDerWaalsContact C-N 3.27Å; N349-R352 PolarHBondContact O-N 3.17Å; N349-R353 WeakPolarHBondContact O-CB 3.41Å; N349-R353 PolarHBondContact O-N 3.25Å
350	L	62.8	Low	63.5	Low	94 Å²	94	118.8 Å²	118.8	49%	0.492	58%	0.578	S	S	.	*	H	α-helix	trans	-58.4	-57.5	173.3	-84.7	159.9	0	0	0	110.9	D346 R352 R353 E354	D346-L350 PolarHBondContact O-N 2.78Å; L350-R352 VanDerWaalsContact C-N 3.3Å; L350-R352 PolarHBondContact O-N 3.31Å; L350-R353 CarbonylContact O-C 3.52Å; L350-R353 WeakPolarHBondContact O-CA 3.42Å; L350-R353 WeakPolarHBondContact O-CB 3.47Å; L350-R353 PolarHBondContact O-N 3.27Å; L350-E354 WeakPolarHBondContact O-CB 3.46Å; L350-E354 WeakPolarHBondContact O-CG 3.45Å; L350-E354 PolarHBondContact O-N 3.14Å
351	S	75	Confident	64	Low	77 Å²	77	117 Å²	117	54%	0.538	57%	0.568	S	S	.	*	H	α-helix	trans	-59	-36.8	178.5	164	0	0	0	0	113.4	R353 E354 A355	S351-R353 VanDerWaalsContact C-N 3.35Å; S351-E354 WeakPolarHBondContact CA-OE2 3.31Å; S351-E354 PolarHBondContact N-OE2 3.36Å; S351-A355 VanDerWaalsContact O-CB 3.26Å; S351-A355 WeakPolarHBondContact O-CB 3.44Å; S351-A355 PolarHBondContact O-N 3.02Å
352	R	74	Confident	64.7	Low	196 Å²	196	108.9 Å²	108.9	74%	0.74	55%	0.55	S	S	*	*	H	α-helix	trans	-70.7	-29.2	173.5	-98.4	-175.7	172.7	158.7	-1.5	113.8	S348 N349 L350 K356	S348-R352 WeakPolarHBondContact O-CB 3.47Å; S348-R352 PolarHBondContact O-N 2.83Å; N349-R352 PolarHBondContact O-N 3.17Å; L350-R352 VanDerWaalsContact C-N 3.3Å; L350-R352 PolarHBondContact O-N 3.31Å; R352-K356 VanDerWaalsContact O-CB 3.24Å; R352-K356 WeakPolarHBondContact O-CB 3.28Å; R352-K356 PolarHBondContact O-N 2.89Å
353	R	76.3	Confident	64.8	Low	158 Å²	158	111.8 Å²	111.8	60%	0.596	55%	0.553	S	S	*	*	H	α-helix	trans	-78	-48.1	178.4	178.3	175.6	178	144.1	15.7	109.8	N349 L350 S351 A355 K356 E357	N349-R353 WeakPolarHBondContact O-CB 3.41Å; N349-R353 PolarHBondContact O-N 3.25Å; L350-R353 CarbonylContact O-C 3.52Å; L350-R353 WeakPolarHBondContact O-CA 3.42Å; L350-R353 WeakPolarHBondContact O-CB 3.47Å; L350-R353 PolarHBondContact O-N 3.27Å; S351-R353 VanDerWaalsContact C-N 3.35Å; R353-A355 PolarHBondContact O-N 3.24Å; R353-K356 CarbonylContact O-C 3.52Å; R353-K356 WeakPolarHBondContact O-CA 3.43Å; R353-K356 PolarHBondContact O-N 3.3Å; R353-E357 HydrophobicContact CG-CG 4.28Å; R353-E357 IonicContact CZ-OE1 2.74Å; R353-E357 IonicContact NE-OE1 2.73Å; R353-E357 PolarHBondContact NE-OE1 3.39Å; R353-E357 IonicContact NE-OE2 3.2Å; R353-E357 IonicContact NH2-OE1 3.99Å; R353-E357 PolarHBondContact NH2-OE1 3.07Å; R353-E357 WeakPolarHBondContact O-CB 3.5Å; R353-E357 WeakPolarHBondContact O-CG 3.39Å; R353-E357 PolarHBondContact O-N 3.1Å
354	E	78.3	Confident	64.9	Low	113 Å²	113	112.9 Å²	112.9	53%	0.528	56%	0.561	S	S	.	*	H	α-helix	trans	-55.3	-51.2	173.5	-69.2	161.9	154.7	0	0	110.4	L350 S351 K356 E357 E358	L350-E354 WeakPolarHBondContact O-CB 3.46Å; L350-E354 WeakPolarHBondContact O-CG 3.45Å; L350-E354 PolarHBondContact O-N 3.14Å; S351-E354 WeakPolarHBondContact CA-OE2 3.31Å; S351-E354 PolarHBondContact N-OE2 3.36Å; E354-K356 PolarHBondContact O-N 2.84Å; E354-E357 PolarHBondContact O-N 3.27Å; E354-E358 VanDerWaalsContact O-CB 3.24Å; E354-E358 WeakPolarHBondContact O-CB 3.46Å; E354-E358 PolarHBondContact O-N 3.42Å
355	A	74.7	Confident	64.2	Low	52 Å²	52	108.8 Å²	108.8	43%	0.43	55%	0.546	S	S	.	.	H	α-helix	trans	-64.6	-24.2	176.1	0	0	0	0	0	114.2	S351 R353 A359	S351-A355 VanDerWaalsContact O-CB 3.26Å; S351-A355 WeakPolarHBondContact O-CB 3.44Å; S351-A355 PolarHBondContact O-N 3.02Å; R353-A355 PolarHBondContact O-N 3.24Å; A355-A359 VanDerWaalsContact O-CB 3.28Å; A355-A359 WeakPolarHBondContact O-CB 3.32Å; A355-A359 PolarHBondContact O-N 3.42Å; A355-A359 VanDerWaalsContact O-N 3.1Å
356	K	78.6	Confident	63.3	Low	135 Å²	135	104.4 Å²	104.4	59%	0.587	54%	0.543	S	S	*	.	H	α-helix	trans	-84.8	-34.8	175.6	-170.2	173.5	-175.8	-179.3	0	112.1	R352 R353 E354 Q360	R352-K356 VanDerWaalsContact O-CB 3.24Å; R352-K356 WeakPolarHBondContact O-CB 3.28Å; R352-K356 PolarHBondContact O-N 2.89Å; R353-K356 CarbonylContact O-C 3.52Å; R353-K356 WeakPolarHBondContact O-CA 3.43Å; R353-K356 PolarHBondContact O-N 3.3Å; E354-K356 PolarHBondContact O-N 2.84Å; K356-Q360 WeakPolarHBondContact O-CB 3.44Å; K356-Q360 WeakPolarHBondContact O-CG 3.35Å; K356-Q360 PolarHBondContact O-N 2.87Å
357	E	74.6	Confident	62.2	Low	79 Å²	79	107.3 Å²	107.3	37%	0.369	56%	0.558	S	S	.	*	H	α-helix	trans	-71.9	-35.4	173.8	-73.1	171.6	167.5	0	0	110.1	R353 E354 Q360 F361	R353-E357 HydrophobicContact CG-CG 4.28Å; R353-E357 IonicContact CZ-OE1 2.74Å; R353-E357 IonicContact NE-OE1 2.73Å; R353-E357 PolarHBondContact NE-OE1 3.39Å; R353-E357 IonicContact NE-OE2 3.2Å; R353-E357 IonicContact NH2-OE1 3.99Å; R353-E357 PolarHBondContact NH2-OE1 3.07Å; R353-E357 WeakPolarHBondContact O-CB 3.5Å; R353-E357 WeakPolarHBondContact O-CG 3.39Å; R353-E357 PolarHBondContact O-N 3.1Å; E354-E357 PolarHBondContact O-N 3.27Å; E357-Q360 PolarHBondContact O-N 3.41Å; E357-F361 WeakPolarHBondContact O-CB 3.42Å; E357-F361 PolarHBondContact O-N 3.2Å
358	E	70.8	Confident	60.9	Low	144 Å²	144	104.4 Å²	104.4	67%	0.673	56%	0.555	S	S	*	*	H	α-helix	trans	-66	-45.7	169.4	-177.2	175.8	-153.3	0	0	111.9	E354 Q360 F361 A362	E354-E358 VanDerWaalsContact O-CB 3.24Å; E354-E358 WeakPolarHBondContact O-CB 3.46Å; E354-E358 PolarHBondContact O-N 3.42Å; E358-Q360 PolarHBondContact O-N 2.67Å; E358-F361 WeakPolarHBondContact O-CB 3.39Å; E358-F361 PolarHBondContact O-N 2.71Å; E358-A362 PolarHBondContact O-N 3.04Å
359	A	71.1	Confident	59.5	Low	44 Å²	44	107.5 Å²	107.5	36%	0.364	57%	0.566	S	S	.	*	H	α-helix	trans	-62.2	-42	173	0	0	0	0	0	112	A355 F361 A362 H363	A355-A359 VanDerWaalsContact O-CB 3.28Å; A355-A359 WeakPolarHBondContact O-CB 3.32Å; A355-A359 PolarHBondContact O-N 3.42Å; A355-A359 VanDerWaalsContact O-N 3.1Å; A359-F361 VanDerWaalsContact C-N 3.32Å; A359-A362 PolarHBondContact O-N 2.83Å; A359-H363 PolarHBondContact O-N 3.34Å; A359-H363 VanDerWaalsContact O-N 3.1Å; A359-H363 PolarHBondContact O-ND1 2.9Å
360	Q	69.4	Low	58	Low	117 Å²	117	108.6 Å²	108.6	55%	0.547	58%	0.576	S	S	.	*	H	α-helix	trans	-62.2	-40.2	173	-78.5	174.3	-34.7	0	0	111.5	K356 E357 E358 H363 S364	K356-Q360 WeakPolarHBondContact O-CB 3.44Å; K356-Q360 WeakPolarHBondContact O-CG 3.35Å; K356-Q360 PolarHBondContact O-N 2.87Å; E357-Q360 PolarHBondContact O-N 3.41Å; E358-Q360 PolarHBondContact O-N 2.67Å; Q360-H363 PolarHBondContact O-N 3.46Å; Q360-S364 WeakPolarHBondContact O-CB 3.47Å; Q360-S364 PolarHBondContact O-N 2.72Å; Q360-S364 PolarHBondContact O-OG 2.87Å
361	F	58.9	Low	56.5	Low	149 Å²	149	111 Å²	111	65%	0.654	59%	0.589	S	S	*	*	H	α-helix	trans	-59.8	-49.3	174.6	-130.3	-84	0	0	0	110.8	E357 E358 A359 H363 S364 S365	E357-F361 WeakPolarHBondContact O-CB 3.42Å; E357-F361 PolarHBondContact O-N 3.2Å; E358-F361 WeakPolarHBondContact O-CB 3.39Å; E358-F361 PolarHBondContact O-N 2.71Å; A359-F361 VanDerWaalsContact C-N 3.32Å; F361-H363 VanDerWaalsContact C-N 3.31Å; F361-H363 PolarHBondContact O-N 3.33Å; F361-S364 WeakPolarHBondContact CA-OG 3.35Å; F361-S364 CarbonylContact O-C 3.59Å; F361-S364 PolarHBondContact O-N 2.98Å; F361-S364 PolarHBondContact O-OG 3Å; F361-S365 WeakPolarHBondContact O-CB 3.37Å; F361-S365 PolarHBondContact O-N 3.24Å; F361-S365 PolarHBondContact O-OG 3.26Å; F361-S365 VanDerWaalsContact O-OG 3.1Å
362	A	56.3	Low	54.7	Low	61 Å²	61	112.5 Å²	112.5	50%	0.504	60%	0.595	S	S	.	*	H	α-helix	trans	-58.4	-37.4	179.2	0	0	0	0	0	113.6	E358 A359 S365	E358-A362 PolarHBondContact O-N 3.04Å; A359-A362 PolarHBondContact O-N 2.83Å; A362-S365 WeakPolarHBondContact CA-OG 3.36Å; A362-S365 PolarHBondContact O-OG 3.44Å
363	H	51.8	Low	52.6	Low	153 Å²	153	108.8 Å²	108.8	71%	0.708	60%	0.596	S	S	*	*	H	α-helix	trans	-73.8	-37.8	174.1	-68.8	70.1	0	0	0	111.7	A359 Q360 F361 S365 S366	A359-H363 PolarHBondContact O-N 3.34Å; A359-H363 VanDerWaalsContact O-N 3.1Å; A359-H363 PolarHBondContact O-ND1 2.9Å; Q360-H363 PolarHBondContact O-N 3.46Å; F361-H363 VanDerWaalsContact C-N 3.31Å; F361-H363 PolarHBondContact O-N 3.33Å; H363-S365 VanDerWaalsContact C-N 3.31Å; H363-S365 PolarHBondContact O-N 3.07Å; H363-S366 WeakPolarHBondContact O-CB 3.49Å; H363-S366 PolarHBondContact O-N 3.23Å
364	S	47.3	Very low	50.5	Low	86 Å²	86	107.1 Å²	107.1	60%	0.601	61%	0.609	S	S	*	*	H	α-helix	trans	-74.5	-17.9	175.9	70.5	0	0	0	0	114.4	Q360 F361 S366	Q360-S364 WeakPolarHBondContact O-CB 3.47Å; Q360-S364 PolarHBondContact O-N 2.72Å; Q360-S364 PolarHBondContact O-OG 2.87Å; F361-S364 WeakPolarHBondContact CA-OG 3.35Å; F361-S364 CarbonylContact O-C 3.59Å; F361-S364 PolarHBondContact O-N 2.98Å; F361-S364 PolarHBondContact O-OG 3Å; S364-S366 VanDerWaalsContact C-N 3.32Å
365	S	36.8	Very low	48.3	Very low	68 Å²	68	104.8 Å²	104.8	48%	0.476	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.1	16.6	173.7	67.6	0	0	0	0	112.6	F361 A362 H363 I367	F361-S365 WeakPolarHBondContact O-CB 3.37Å; F361-S365 PolarHBondContact O-N 3.24Å; F361-S365 PolarHBondContact O-OG 3.26Å; F361-S365 VanDerWaalsContact O-OG 3.1Å; A362-S365 WeakPolarHBondContact CA-OG 3.36Å; A362-S365 PolarHBondContact O-OG 3.44Å; H363-S365 VanDerWaalsContact C-N 3.31Å; H363-S365 PolarHBondContact O-N 3.07Å; S365-I367 PolarHBondContact O-N 2.99Å
366	S	34.4	Very low	46.4	Very low	95 Å²	95	112.2 Å²	112.2	66%	0.664	63%	0.633	S	S	*	*			trans	-65.6	93.9	153	-172.3	0	0	0	0	107	H363 S364 C368	H363-S366 WeakPolarHBondContact O-CB 3.49Å; H363-S366 PolarHBondContact O-N 3.23Å; S364-S366 VanDerWaalsContact C-N 3.32Å; S366-C368 PolarHBondContact O-N 3.35Å; S366-C368 VanDerWaalsContact O-N 3.11Å
367	I	33.5	Very low	44.4	Very low	136 Å²	136	114.9 Å²	114.9	70%	0.697	65%	0.648	S	S	*	*			trans	-68.5	110.5	174	-61.5	178.6	0	0	0	106.3	S365 L369	S365-I367 PolarHBondContact O-N 2.99Å; I367-L369 VanDerWaalsContact C-N 3.34Å; I367-L369 HydrophobicContact CG2-CG 4.18Å; I367-L369 PolarHBondContact O-N 2.79Å
368	C	28.7	Very low	42.4	Very low	88 Å²	88	120.7 Å²	120.7	60%	0.595	67%	0.672	S	S	*	*			trans	-68.8	92.7	175.1	-159.8	0	0	0	0	108.6	S366 T370	S366-C368 PolarHBondContact O-N 3.35Å; S366-C368 VanDerWaalsContact O-N 3.11Å; C368-T370 PolarHBondContact O-N 2.68Å; C368-T370 PolarHBondContact SG-OG1 3.23Å
369	L	32.1	Very low	40.8	Very low	130 Å²	130	121 Å²	121	68%	0.681	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	50.7	-179.3	-95.6	162.8	0	0	0	111.7	I367 V372	I367-L369 VanDerWaalsContact C-N 3.34Å; I367-L369 HydrophobicContact CG2-CG 4.18Å; I367-L369 PolarHBondContact O-N 2.79Å; L369-V372 HydrophobicContact CD2-CG2 4.29Å
370	T	32.6	Very low	39	Very low	106 Å²	106	125.8 Å²	125.8	65%	0.65	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	-16.5	170	56.5	0	0	0	0	112.3	C368 V372	C368-T370 PolarHBondContact O-N 2.68Å; C368-T370 PolarHBondContact SG-OG1 3.23Å; T370-V372 PolarHBondContact O-N 3.43Å
371	D	31.9	Very low	37.4	Very low	143 Å²	143	130.6 Å²	130.6	77%	0.765	71%	0.711	S	S	*	*			trans	-96.4	56.2	-176.5	-68.3	-14.7	0	0	0	112.4
372	V	36	Very low	36.4	Very low	109 Å²	109	129.6 Å²	129.6	66%	0.661	71%	0.711	S	S	*	*			trans	-114.9	112.8	166	-177.8	0	0	0	0	108.4	L369 T370 S374	L369-V372 HydrophobicContact CD2-CG2 4.29Å; T370-V372 PolarHBondContact O-N 3.43Å; V372-S374 PolarHBondContact O-N 2.81Å
373	P	31.6	Very low	35.3	Very low	119 Å²	119	136.3 Å²	136.3	77%	0.773	72%	0.723	S	S	*	*			trans	-63.2	122.1	179.9	-23.5	34.1	0	0	0	112	G375	P373-G375 PolarHBondContact O-N 3.14Å
374	S	31.7	Very low	34.6	Very low	123 Å²	123	135.9 Å²	135.9	86%	0.86	72%	0.721	S	S	*	*			trans	-61.1	119.1	166	-175.8	0	0	0	0	109.1	V372	V372-S374 PolarHBondContact O-N 2.81Å
375	G	31.9	Very low	34.1	Very low	63 Å²	63	138.6 Å²	138.6	65%	0.649	72%	0.724	S	S	*	*			trans	-117.2	31.8	-159	0	0	0	0	0	115.6	P373	P373-G375 PolarHBondContact O-N 3.14Å
376	Y	35	Very low	34.1	Very low	209 Å²	209	141.3 Å²	141.3	82%	0.82	73%	0.734	S	S	*	*			trans	-124.5	31.7	-172.9	-73.4	-60.2	0	0	0	115.8	K378	Y376-K378 PolarHBondContact O-N 2.84Å
377	E	35.1	Very low	34.2	Very low	191 Å²	191	144.3 Å²	144.3	89%	0.893	74%	0.737	S	S	*	*			trans	-81.4	106.7	164.1	-69.5	-168.2	145.8	0	0	111.2	D379	E377-D379 PolarHBondContact O-N 2.95Å
378	K	34.6	Very low	34.4	Very low	200 Å²	200	144.2 Å²	144.2	87%	0.87	74%	0.738	S	S	*	*			trans	-91.7	81.3	166.6	-77.2	-179.5	178.6	168.7	0	110	Y376 D380	Y376-K378 PolarHBondContact O-N 2.84Å; K378-D380 PolarHBondContact O-N 2.99Å; K378-D380 VanDerWaalsContact O-N 3.13Å
379	D	35.6	Very low	34.7	Very low	152 Å²	152	146.8 Å²	146.8	81%	0.813	74%	0.744	S	S	*	*			trans	-80.4	94.7	177.5	-163	12.5	0	0	0	111.6	E377 R381	E377-D379 PolarHBondContact O-N 2.95Å; D379-R381 PolarHBondContact O-N 2.78Å
380	D	34.3	Very low	35	Very low	144 Å²	144	148.2 Å²	148.2	77%	0.77	75%	0.751	S	S	*	*			trans	-90.8	84.2	-170.1	-153.4	-2.9	0	0	0	111.4	K378	K378-D380 PolarHBondContact O-N 2.99Å; K378-D380 VanDerWaalsContact O-N 3.13Å
381	R	36.2	Very low	35	Very low	217 Å²	217	148 Å²	148	82%	0.819	76%	0.759	S	S	*	*			trans	-163.4	139.7	165.2	-102.2	131	-136.4	-134.6	7.1	117.9	D379	D379-R381 PolarHBondContact O-N 2.78Å
382	I	36.8	Very low	35.3	Very low	129 Å²	129	144.9 Å²	144.9	66%	0.662	76%	0.762	S	S	*	*			trans	84.3	90.2	140.4	-68	167.9	0	0	0	119.1
383	R	34.2	Very low	35.2	Very low	201 Å²	201	147 Å²	147	76%	0.758	77%	0.769	S	S	*	*				79.8	130	117.9	-77.3	-174.1	-172.5	157.1	0.2	123
384	H	36.5	Very low	35.4	Very low	145 Å²	145	152.3 Å²	152.3	67%	0.671	77%	0.774	S	S	*	*			trans	63	142.4	145.8	-59.1	-66.7	0	0	0	117.2
385	E	36	Very low	35.7	Very low	143 Å²	143	153.1 Å²	153.1	67%	0.668	77%	0.769	S	S	*	*			cis	-164.4	178.9	-2.4	-126.9	162	-149.2	0	0	111.1
386	N	37.2	Very low	35.8	Very low	125 Å²	125	155.8 Å²	155.8	67%	0.668	77%	0.772	S	S	*	*			trans	75.3	110.8	168.9	-53	-58.9	0	0	0	115.6
387	H	36.9	Very low	35.9	Very low	158 Å²	158	152.7 Å²	152.7	73%	0.731	77%	0.769	S	S	*	*				68.8	130.6	82.6	-69.7	-54.5	0	0	0	112.9
388	N	37.2	Very low	36	Very low	134 Å²	134	150.9 Å²	150.9	72%	0.717	76%	0.76	S	S	*	*			cis	-168.6	-178.6	18	-122.3	-11.8	0	0	0	113
389	I	36.1	Very low	36	Very low	142 Å²	142	146.8 Å²	146.8	73%	0.728	75%	0.752	S	S	*	*			trans	93.8	99.1	154.2	-70.2	147.8	0	0	0	120.7
390	I	37	Very low	36	Very low	159 Å²	159	144.6 Å²	144.6	82%	0.815	75%	0.749	S	S	*	*			trans	67.6	129.8	131.4	-57	177.5	0	0	0	121
391	A	32.1	Very low	36.2	Very low	101 Å²	101	142.5 Å²	142.5	84%	0.835	75%	0.752	S	S	*	*			trans	-110.8	167.7	167.3	0	0	0	0	0	112.2
392	G	38.5	Very low	36.1	Very low	79 Å²	79	137.7 Å²	137.7	81%	0.814	75%	0.746	S	S	*	*			trans	-174.1	126.7	171.6	0	0	0	0	0	115.2
393	D	34.2	Very low	36	Very low	152 Å²	152	141.7 Å²	141.7	81%	0.813	76%	0.759	S	S	*	*			trans	-74.9	153	177	-59.4	-65.4	0	0	0	113.9
394	R	37.3	Very low	36	Very low	232 Å²	232	140.4 Å²	140.4	88%	0.875	76%	0.759	S	S	*	*				164.7	118.4	114.5	-88.4	161.2	-176.9	-168.6	0.7	116.1
395	N	36.6	Very low	35.9	Very low	140 Å²	140	140.4 Å²	140.4	75%	0.749	76%	0.764	S	S	*	*				45.7	125.9	124.3	-69.4	0.1	0	0	0	124
396	T	34.3	Very low	35.8	Very low	118 Å²	118	137.9 Å²	137.9	72%	0.724	76%	0.762	S	S	*	*				87.5	135.2	126.4	54.2	0	0	0	0	124.1
397	L	37.9	Very low	35.6	Very low	145 Å²	145	138.9 Å²	138.9	76%	0.759	77%	0.767	S	S	*	*			trans	70.3	148.5	162.2	-57.6	156.1	0	0	0	115
398	H	37	Very low	35.6	Very low	152 Å²	152	139.7 Å²	139.7	70%	0.704	78%	0.776	S	S	*	*			cis	-158.5	-179.2	-1.8	-129.2	-2.9	0	0	0	108
399	T	34.4	Very low	35.3	Very low	115 Å²	115	138.6 Å²	138.6	71%	0.706	78%	0.779	S	S	*	*			cis	-155.2	151	15	-21.7	0	0	0	0	112.6
400	S	36	Very low	35.3	Very low	106 Å²	106	137.7 Å²	137.7	74%	0.741	79%	0.785	S	S	*	*			trans	-8.4	138.1	155.5	-48.2	0	0	0	0	124.7
401	A	38	Very low	35	Very low	100 Å²	100	135.3 Å²	135.3	83%	0.826	78%	0.783	S	S	*	*			trans	-153.2	137	138.3	0	0	0	0	0	111
402	V	34	Very low	35.3	Very low	116 Å²	116	135.5 Å²	135.5	70%	0.703	78%	0.775	S	S	*	*			trans	-146.1	136.6	-175.2	173.9	0	0	0	0	111
403	F	35	Very low	35.2	Very low	213 Å²	213	140.3 Å²	140.3	93%	0.934	77%	0.774	S	S	*	*			trans	-144.6	142.9	151.2	-100.1	-75.8	0	0	0	111.9
404	K	33.6	Very low	35	Very low	173 Å²	173	138.6 Å²	138.6	75%	0.752	77%	0.774	S	S	*	*			trans	-120.7	151.6	173.3	-65	176.2	177.3	177.6	0	108.5
405	N	34.4	Very low	34.8	Very low	146 Å²	146	138.5 Å²	138.5	78%	0.781	77%	0.773	S	S	*	*				177.4	104.3	123.2	-89.5	-7.2	0	0	0	113.3
406	S	34.2	Very low	34.5	Very low	89 Å²	89	141.5 Å²	141.5	62%	0.622	78%	0.78	S	S	*	*				27.2	135.3	123.8	65.6	0	0	0	0	122
407	N	33.3	Very low	34.6	Very low	147 Å²	147	143.5 Å²	143.5	79%	0.786	78%	0.781	S	S	*	*			trans	104.6	146.9	130.8	-72.7	-8	0	0	0	122
408	L	36	Very low	34.4	Very low	175 Å²	175	145.5 Å²	145.5	92%	0.916	78%	0.783	S	S	*	*			trans	90.9	131.3	158	-73.1	153.2	0	0	0	119.2
409	S	31.3	Very low	34.1	Very low	111 Å²	111	143.3 Å²	143.3	78%	0.776	79%	0.785	S	S	*	*			trans	-109.3	140.5	-171.7	54.4	0	0	0	0	111.7
410	S	36.6	Very low	34	Very low	123 Å²	123	146.3 Å²	146.3	86%	0.86	80%	0.796	S	S	*	*			trans	-162.9	139.1	151	56	0	0	0	0	112.4
411	S	29.3	Very low	33.6	Very low	109 Å²	109	147.2 Å²	147.2	76%	0.762	80%	0.798	S	S	*	*			trans	-121.3	-180	154.2	76.8	0	0	0	0	107.3
412	P	40	Very low	33.2	Very low	104 Å²	104	147.6 Å²	147.6	68%	0.675	79%	0.794	S	S	*	*			cis	-133.3	-152.4	-3.5	29.5	-5.1	0	0	0	111.9
413	K	35.5	Very low	33.1	Very low	180 Å²	180	148.6 Å²	148.6	78%	0.783	80%	0.795	S	S	*	*			trans	98.9	86.5	157.7	-58.4	176.4	-177.8	176.6	0	119
414	S	30.6	Very low	32.9	Very low	116 Å²	116	147.2 Å²	147.2	81%	0.811	79%	0.792	S	S	*	*				40.9	122	120	64.2	0	0	0	0	120.7
415	R	33.5	Very low	32.9	Very low	231 Å²	231	145.5 Å²	145.5	87%	0.872	79%	0.789	S	S	*	*			trans	-140.4	117.8	152.7	-165.3	170.3	-174	158.8	1.5	111.4
416	K	30.3	Very low	32.7	Very low	202 Å²	202	144.1 Å²	144.1	88%	0.878	78%	0.782	S	S	*	*			trans	-80.6	133.5	172.7	-71.9	-178.2	176	-179.4	0	110.7
417	Q	36.4	Very low	32.6	Very low	160 Å²	160	147.1 Å²	147.1	75%	0.748	79%	0.791	S	S	*	*			trans	-178.1	142.3	153.4	-102	169.8	25.4	0	0	107.1
418	K	33.5	Very low	32.4	Very low	187 Å²	187	150.4 Å²	150.4	81%	0.813	79%	0.792	S	S	*	*			cis	-152.9	161.8	-8.5	-139.4	171.4	-171.7	-178.3	0	108.3
419	S	30	Very low	32.2	Very low	107 Å²	107	151.6 Å²	151.6	75%	0.748	79%	0.79	S	S	*	*			trans	-69.9	138.4	-175.5	51.5	0	0	0	0	114.3
420	L	31.8	Very low	32.3	Very low	177 Å²	177	158.1 Å²	158.1	93%	0.927	80%	0.798	S	S	*	*			trans	-136.7	133	151.4	-99.6	165.8	0	0	0	108.3
421	T	28.8	Very low	32	Very low	126 Å²	126	156.8 Å²	156.8	77%	0.773	78%	0.781	S	S	*	*			trans	-113.1	173.6	-178.1	45.8	0	0	0	0	110.7
422	S	29.3	Very low	32.4	Very low	107 Å²	107	157.5 Å²	157.5	75%	0.748	78%	0.783	S	S	*	*			trans	71.9	111	175.7	-132	0	0	0	0	113.1
423	N	31.8	Very low	32	Very low	137 Å²	137	161.6 Å²	161.6	73%	0.733	79%	0.785	S	S	*	*				-154.5	152.3	53.5	-79.4	-29.8	0	0	0	113.6
424	Q	30.6	Very low	31.8	Very low	185 Å²	185	162.2 Å²	162.2	86%	0.864	79%	0.788	S	S	*	*			trans	-78	137.6	160.5	-64.6	163.5	-72.7	0	0	109
425	I	34	Very low	31.7	Very low	136 Å²	136	162.2 Å²	162.2	70%	0.697	79%	0.785	S	S	*	*			trans	-129.8	102.5	162.9	-61.3	-178	0	0	0	106.9	D427	I425-D427 PolarHBondContact O-N 3.43Å
426	D	29.2	Very low	31.5	Very low	118 Å²	118	158.2 Å²	158.2	63%	0.631	78%	0.78	S	S	*	*			trans	-77.2	93.3	168.5	-99.2	-68.8	0	0	0	108.8	R428	D426-R428 PolarHBondContact O-N 3.14Å; D426-R428 WeakPolarHBondContact OD1-CD 3.26Å; D426-R428 IonicContact OD1-NE 3.91Å
427	D	33.1	Very low	31.4	Very low	152 Å²	152	156.1 Å²	156.1	81%	0.813	78%	0.777	S	S	*	*			trans	-76.2	40.7	167.7	-85.3	-44.9	0	0	0	112.3	I425 K429	I425-D427 PolarHBondContact O-N 3.43Å; D427-K429 VanDerWaalsContact C-N 3.28Å; D427-K429 PolarHBondContact O-N 3.06Å
428	R	29.5	Very low	31.1	Very low	215 Å²	215	155.9 Å²	155.9	81%	0.811	78%	0.78	S	S	*	*			trans	-80.6	68.6	169.9	-75.3	-176	162.9	-159.7	-4.4	110.7	D426	D426-R428 PolarHBondContact O-N 3.14Å; D426-R428 WeakPolarHBondContact OD1-CD 3.26Å; D426-R428 IonicContact OD1-NE 3.91Å
429	K	31.9	Very low	30.9	Very low	201 Å²	201	153.3 Å²	153.3	87%	0.874	78%	0.775	S	S	*	*			trans	-163.8	92.9	165.5	-109.5	153.1	-170.4	174.6	0	114.1	D427	D427-K429 VanDerWaalsContact C-N 3.28Å; D427-K429 PolarHBondContact O-N 3.06Å
430	R	31.8	Very low	30.8	Very low	247 Å²	247	154.2 Å²	154.2	93%	0.932	78%	0.782	S	S	*	*			trans	-131.5	101.5	151.8	-172.9	176.3	-85.5	-159.6	-4.6	106.9	P432	R430-P432 WeakPolarHBondContact O-CD 3.42Å
431	D	32.2	Very low	31	Very low	96 Å²	96	151.6 Å²	151.6	51%	0.513	77%	0.769	S	S	.	*			trans	-105.1	101.7	-172.8	-172.4	-15.4	0	0	0	109.3	R433	D431-R433 PolarHBondContact O-N 3Å; D431-R433 WeakPolarHBondContact OD1-CG 3.37Å; D431-R433 IonicContact OD1-CZ 3.62Å; D431-R433 IonicContact OD1-NE 2.83Å; D431-R433 PolarHBondContact OD1-NE 2.64Å; D431-R433 IonicContact OD1-NH2 3.54Å; D431-R433 IonicContact OD2-CZ 3.52Å; D431-R433 IonicContact OD2-NE 3.47Å; D431-R433 PolarHBondContact OD2-NE 2.87Å; D431-R433 IonicContact OD2-NH2 2.72Å; D431-R433 PolarHBondContact OD2-NH2 2.86Å
432	P	37.6	Very low	31.1	Very low	123 Å²	123	153 Å²	153	80%	0.799	77%	0.772	S	S	*	*			trans	-83.7	58.8	-177.4	35.6	-35.9	0	0	0	111.2	R430	R430-P432 WeakPolarHBondContact O-CD 3.42Å
433	R	30.3	Very low	31.3	Very low	191 Å²	191	159 Å²	159	72%	0.721	78%	0.78	S	S	*	*			trans	-110.4	69.9	174.2	-78.5	-175.5	-68.1	177	0.3	112.7	D431	D431-R433 PolarHBondContact O-N 3Å; D431-R433 WeakPolarHBondContact OD1-CG 3.37Å; D431-R433 IonicContact OD1-CZ 3.62Å; D431-R433 IonicContact OD1-NE 2.83Å; D431-R433 PolarHBondContact OD1-NE 2.64Å; D431-R433 IonicContact OD1-NH2 3.54Å; D431-R433 IonicContact OD2-CZ 3.52Å; D431-R433 IonicContact OD2-NE 3.47Å; D431-R433 PolarHBondContact OD2-NE 2.87Å; D431-R433 IonicContact OD2-NH2 2.72Å; D431-R433 PolarHBondContact OD2-NH2 2.86Å
434	F	31.1	Very low	31.3	Very low	193 Å²	193	160.6 Å²	160.6	85%	0.846	78%	0.782	S	S	*	*			trans	-125.9	115.3	153.8	-86.9	-82.8	0	0	0	108.8	I436	F434-I436 PolarHBondContact O-N 2.87Å
435	P	29.1	Very low	31.2	Very low	115 Å²	115	161.8 Å²	161.8	75%	0.747	78%	0.78	S	S	*	*			trans	-73.5	113	174.1	29.6	-31.4	0	0	0	109	L437	P435-L437 PolarHBondContact O-N 3.03Å; P435-L437 VanDerWaalsContact O-N 3.13Å
436	I	30	Very low	31.1	Very low	148 Å²	148	161.1 Å²	161.1	76%	0.759	78%	0.783	S	S	*	*			trans	-73.3	102.5	163.7	-65.1	177.8	0	0	0	106.6	F434 L438	F434-I436 PolarHBondContact O-N 2.87Å; I436-L438 HydrophobicContact CG2-CD1 4.06Å; I436-L438 HydrophobicContact CG2-CG 3.91Å; I436-L438 PolarHBondContact O-N 3.48Å
437	L	26.6	Very low	31.2	Very low	158 Å²	158	160.5 Å²	160.5	83%	0.827	78%	0.784	S	S	*	*			trans	-72.3	106.6	163.6	-71.4	169.9	0	0	0	107.7	P435	P435-L437 PolarHBondContact O-N 3.03Å; P435-L437 VanDerWaalsContact O-N 3.13Å
438	L	30.9	Very low	31.2	Very low	154 Å²	154	162.1 Å²	162.1	81%	0.806	79%	0.786	S	S	*	*			trans	-112.2	135	156.2	-77	168.3	0	0	0	107.2	I436	I436-L438 HydrophobicContact CG2-CD1 4.06Å; I436-L438 HydrophobicContact CG2-CG 3.91Å; I436-L438 PolarHBondContact O-N 3.48Å
439	N	29.7	Very low	31.3	Very low	133 Å²	133	159.8 Å²	159.8	71%	0.711	79%	0.785	S	S	*	*			trans	-72.1	154.8	-175	-64	-15.7	0	0	0	110.9	D441	N439-D441 WeakPolarHBondContact CB-OD2 3.3Å; N439-D441 PolarHBondContact O-N 3.48Å
440	S	28.5	Very low	31.3	Very low	126 Å²	126	160.6 Å²	160.6	88%	0.881	78%	0.784	S	S	*	*			trans	-67.9	115.2	148.5	-51.1	0	0	0	0	108.1
441	D	34.8	Very low	31.2	Very low	123 Å²	123	154.5 Å²	154.5	66%	0.658	77%	0.774	S	S	*	*			trans	-142.8	138.9	162.5	-77.5	-62.2	0	0	0	106.2	N439	N439-D441 WeakPolarHBondContact CB-OD2 3.3Å; N439-D441 PolarHBondContact O-N 3.48Å
442	D	31.4	Very low	31.4	Very low	156 Å²	156	158.4 Å²	158.4	83%	0.834	79%	0.789	S	S	*	*			trans	-71.2	148.1	-160.5	-51.1	-72.7	0	0	0	114.5
443	Y	32.8	Very low	31.1	Very low	233 Å²	233	157.8 Å²	157.8	91%	0.914	79%	0.787	S	S	*	*			trans	-128.9	103.5	163.4	-95.6	-92.2	0	0	0	110.1
444	E	32	Very low	31.3	Very low	169 Å²	169	156.7 Å²	156.7	79%	0.79	79%	0.794	S	S	*	*			trans	-71.8	137.8	168.3	-67.6	-179	117.9	0	0	110.3	T446	E444-T446 PolarHBondContact O-N 3.21Å
445	Y	29.6	Very low	31.4	Very low	210 Å²	210	154.2 Å²	154.2	82%	0.824	79%	0.79	S	S	*	*			trans	-70.4	101	173.3	-176.9	-100.7	0	0	0	109.5	T447	Y445-T447 HydrophobicContact CE1-CG2 3.91Å
446	T	31.4	Very low	31.5	Very low	122 Å²	122	153.7 Å²	153.7	75%	0.748	79%	0.789	S	S	*	*			trans	-95.9	106.5	177.4	26.1	0	0	0	0	109.6	E444 E448	E444-T446 PolarHBondContact O-N 3.21Å; T446-E448 PolarHBondContact O-N 3.27Å
447	T	31.1	Very low	31.7	Very low	106 Å²	106	150.6 Å²	150.6	65%	0.65	79%	0.785	S	S	*	*			trans	-74.7	116.2	175	-3.2	0	0	0	0	109.3	Y445 E449	Y445-T447 HydrophobicContact CE1-CG2 3.91Å; T447-E449 PolarHBondContact O-N 3.37Å
448	E	32.1	Very low	32	Very low	186 Å²	186	152.2 Å²	152.2	87%	0.869	79%	0.786	S	S	*	*			trans	-80.8	105.1	174.5	-66.6	-162.4	148.1	0	0	110.5	T446 Y450	T446-E448 PolarHBondContact O-N 3.27Å; E448-Y450 PolarHBondContact O-N 3.24Å
449	E	31.8	Very low	32	Very low	165 Å²	165	156.4 Å²	156.4	77%	0.771	79%	0.791	S	S	*	*			trans	-68.7	113	176.8	-65.4	-175.3	134.2	0	0	111.8	T447 T451	T447-E449 PolarHBondContact O-N 3.37Å; E449-T451 VanDerWaalsContact C-N 3.34Å; E449-T451 HydrophobicContact CB-CG2 4.13Å; E449-T451 PolarHBondContact O-N 3.36Å
450	Y	32.9	Very low	32	Very low	218 Å²	218	157.7 Å²	157.7	86%	0.855	80%	0.798	S	S	*	*			trans	-72.3	87.3	169.1	-115.5	-88	0	0	0	110.9	E448 H452	E448-Y450 PolarHBondContact O-N 3.24Å; Y450-H452 PolarHBondContact O-N 2.89Å; Y450-H452 VanDerWaalsContact O-N 3.08Å
451	T	30.1	Very low	32.2	Very low	120 Å²	120	156.7 Å²	156.7	74%	0.736	79%	0.791	S	S	*	*			trans	-79.2	87.8	-173.2	41.2	0	0	0	0	113.2	E449	E449-T451 VanDerWaalsContact C-N 3.34Å; E449-T451 HydrophobicContact CB-CG2 4.13Å; E449-T451 PolarHBondContact O-N 3.36Å
452	H	36.4	Very low	32.1	Very low	177 Å²	177	159.3 Å²	159.3	82%	0.819	80%	0.799	S	S	*	*			trans	-83.8	115.1	166.3	-101	-69	0	0	0	112.1	Y450	Y450-H452 PolarHBondContact O-N 2.89Å; Y450-H452 VanDerWaalsContact O-N 3.08Å
453	S	30.8	Very low	31.9	Very low	110 Å²	110	158.3 Å²	158.3	77%	0.769	80%	0.799	S	S	*	*			trans	-78.1	119	-175.1	-175.6	0	0	0	0	113.1
454	I	35.2	Very low	31.8	Very low	168 Å²	168	157 Å²	157	86%	0.862	80%	0.798	S	S	*	*			trans	-134.9	144.8	160	-63.8	-174.4	0	0	0	109.3
455	D	33.1	Very low	31.5	Very low	141 Å²	141	157.1 Å²	157.1	75%	0.754	80%	0.798	S	S	*	*			trans	-86.5	141.1	-162.7	-111.2	-52.5	0	0	0	116.5
456	S	31.3	Very low	31.5	Very low	105 Å²	105	155.7 Å²	155.7	73%	0.734	80%	0.804	S	S	*	*			trans	83.9	144.7	135.1	82.1	0	0	0	0	123.6
457	A	33.4	Very low	31.5	Very low	82 Å²	82	157.9 Å²	157.9	68%	0.678	80%	0.803	S	S	*	*			trans	89.4	73.7	139.7	0	0	0	0	0	122.6
458	K	33.7	Very low	31.1	Very low	192 Å²	192	158.8 Å²	158.8	84%	0.835	81%	0.808	S	S	*	*				56	112.6	125.7	-61.7	170.9	-179	173.2	0	119.7
459	R	30.6	Very low	30.8	Very low	242 Å²	242	160.9 Å²	160.9	91%	0.913	81%	0.808	S	S	*	*				-163	128.8	111.5	-114	160	-72.5	-172.9	1.5	113.8
460	N	29.1	Very low	30.5	Very low	161 Å²	161	159.4 Å²	159.4	86%	0.861	81%	0.806	S	S	*	*			trans	-78.1	149.8	165.5	-60.7	-13.5	0	0	0	109.8
461	S	33.1	Very low	30.4	Very low	104 Å²	104	155.5 Å²	155.5	73%	0.727	80%	0.799	S	S	*	*				178.3	142.9	115	57.5	0	0	0	0	114.8
462	Q	32.8	Very low	30.3	Very low	178 Å²	178	158.4 Å²	158.4	83%	0.832	80%	0.802	S	S	*	*			trans	71.8	79.5	149.8	-70.5	172.1	-3.8	0	0	119.3
463	T	25.9	Very low	30.1	Very low	135 Å²	135	154.1 Å²	154.1	83%	0.828	79%	0.79	S	S	*	*			trans	-22.9	137.4	135.7	50.6	0	0	0	0	116.1
464	K	31.4	Very low	30	Very low	207 Å²	207	157.3 Å²	157.3	90%	0.9	80%	0.799	S	S	*	*			trans	-132.2	128.2	145.9	-97.6	-175.8	175	178.1	0	109.2
465	E	26.7	Very low	29.8	Very low	171 Å²	171	156.7 Å²	156.7	80%	0.799	79%	0.792	S	S	*	*			trans	-70.2	139.8	171.8	-55.4	177.7	140.8	0	0	110.2
466	L	28.4	Very low	29.8	Very low	179 Å²	179	161.7 Å²	161.7	94%	0.937	80%	0.8	S	S	*	*			trans	-131.3	136.3	156.1	-100.5	168.2	0	0	0	108.5
467	K	31.2	Very low	29.7	Very low	169 Å²	169	164.7 Å²	164.7	74%	0.735	80%	0.803	S	S	*	*			trans	-99.2	137.4	-168.5	-69.9	175.4	178	174.1	0	111.3
468	V	24.3	Very low	29.6	Very low	125 Å²	125	167.9 Å²	167.9	76%	0.758	81%	0.807	S	S	*	*			trans	33.5	106.6	136.9	-172.9	0	0	0	0	116.4
469	W	25.2	Very low	29.4	Very low	230 Å²	230	164 Å²	164	87%	0.871	80%	0.8	S	S	*	*			trans	-139.7	100.7	132.2	-90	86.1	0	0	0	107.9	D471	W469-D471 WeakPolarHBondContact CZ3-OD2 3.25Å
470	N	25.3	Very low	29.2	Very low	134 Å²	134	158.5 Å²	158.5	72%	0.717	79%	0.787	S	S	*	*			trans	-91	123.2	158.3	-84.2	-0.7	0	0	0	106.3
471	D	30	Very low	29.4	Very low	135 Å²	135	158.4 Å²	158.4	72%	0.722	79%	0.785	S	S	*	*			trans	-145.2	129.7	155.8	-96	-44.1	0	0	0	110.2	W469	W469-D471 WeakPolarHBondContact CZ3-OD2 3.25Å
472	F	28.7	Very low	29.1	Very low	181 Å²	181	158.5 Å²	158.5	79%	0.794	79%	0.786	S	S	*	*			trans	-98	-168.4	175.9	-76.4	-98.4	0	0	0	108.6
473	P	33	Very low	29.1	Very low	88 Å²	88	157.1 Å²	157.1	57%	0.571	79%	0.79	S	S	*	*			cis	-126.3	162.4	-24.5	18.8	3	0	0	0	113	Q475	P473-Q475 HydrophobicContact CB-CB 4.21Å; P473-Q475 HydrophobicContact CB-CG 4.26Å; P473-Q475 PolarHBondContact O-N 3Å
474	N	28.5	Very low	29.5	Very low	177 Å²	177	154.9 Å²	154.9	95%	0.947	79%	0.786	S	S	*	*			trans	-96.1	70.3	153	-105.6	-23.5	0	0	0	110.3
475	Q	30.9	Very low	29.5	Very low	154 Å²	154	151.9 Å²	151.9	72%	0.72	78%	0.779	S	S	*	*			trans	-120.6	115.3	169.7	-75.1	-173.3	-12.4	0	0	109.3	P473 E477	P473-Q475 HydrophobicContact CB-CB 4.21Å; P473-Q475 HydrophobicContact CB-CG 4.26Å; P473-Q475 PolarHBondContact O-N 3Å; Q475-E477 PolarHBondContact O-N 3.1Å; Q475-E477 VanDerWaalsContact O-N 3.14Å
476	R	32.6	Very low	30	Very low	246 Å²	246	150.4 Å²	150.4	93%	0.928	78%	0.782	S	S	*	*			trans	-82.8	81.6	174.6	-73.6	-176	174.4	176.2	-0.6	110.5	I478	R476-I478 PolarHBondContact O-N 2.97Å
477	E	28.3	Very low	30.1	Very low	168 Å²	168	149.1 Å²	149.1	79%	0.785	78%	0.776	S	S	*	*			trans	-66.9	119.4	162.9	-72.4	-160.6	122.8	0	0	110.1	Q475 T479	Q475-E477 PolarHBondContact O-N 3.1Å; Q475-E477 VanDerWaalsContact O-N 3.14Å; E477-T479 PolarHBondContact O-N 3.37Å
478	I	31.5	Very low	30.3	Very low	150 Å²	150	149.3 Å²	149.3	77%	0.769	78%	0.784	S	S	*	*			trans	-96.3	90.2	173.5	-59.2	179.8	0	0	0	108.6	R476 I480	R476-I478 PolarHBondContact O-N 2.97Å; I478-I480 PolarHBondContact O-N 3.02Å; I478-I480 VanDerWaalsContact O-N 3.17Å
479	T	29.1	Very low	30.5	Very low	111 Å²	111	152.2 Å²	152.2	68%	0.681	79%	0.787	S	S	*	*			trans	-69.1	107	174.6	-55.2	0	0	0	0	110.5	E477 L481	E477-T479 PolarHBondContact O-N 3.37Å; T479-L481 HydrophobicContact CG2-CG 4.39Å; T479-L481 PolarHBondContact O-N 3.19Å
480	I	27.9	Very low	30.8	Very low	125 Å²	125	146 Å²	146	64%	0.641	78%	0.778	S	S	*	*			trans	-78.3	113.7	175.5	-58.3	172.1	0	0	0	109.1	I478	I478-I480 PolarHBondContact O-N 3.02Å; I478-I480 VanDerWaalsContact O-N 3.17Å
481	L	32.9	Very low	31.2	Very low	159 Å²	159	148.1 Å²	148.1	83%	0.832	78%	0.781	S	S	*	*			trans	-121.9	126.4	164.3	-73.8	176.4	0	0	0	110.5	T479	T479-L481 HydrophobicContact CG2-CG 4.39Å; T479-L481 PolarHBondContact O-N 3.19Å
482	S	27.5	Very low	31.2	Very low	106 Å²	106	151.8 Å²	151.8	74%	0.741	79%	0.787	S	S	*	*			trans	-87.2	144.3	177.2	56.3	0	0	0	0	112
483	T	32	Very low	31.5	Very low	150 Å²	150	150 Å²	150	92%	0.92	79%	0.79	S	S	*	*				-156.4	163.8	129	13.3	0	0	0	0	110.5
484	A	35.1	Very low	31.5	Very low	88 Å²	88	153.5 Å²	153.5	73%	0.727	80%	0.804	S	S	*	*			trans	-96.8	172.5	-169	0	0	0	0	0	114.4
485	D	31.1	Very low	31.8	Very low	143 Å²	143	148.8 Å²	148.8	77%	0.765	80%	0.797	S	S	*	*			trans	-22.1	136.2	167.2	-45.5	-61.4	0	0	0	117.4
486	T	35.8	Very low	31.9	Very low	140 Å²	140	150.6 Å²	150.6	86%	0.859	81%	0.806	S	S	*	*				-179.8	157	101.3	26.8	0	0	0	0	112.4
487	D	30.8	Very low	31.8	Very low	153 Å²	153	144.7 Å²	144.7	82%	0.818	80%	0.797	S	S	*	*			trans	-58.5	147.7	171.6	-71.2	-79.9	0	0	0	113.1
488	L	36	Very low	32.2	Very low	172 Å²	172	143.5 Å²	143.5	90%	0.901	80%	0.802	S	S	*	*				-168.3	157	119.5	-104.5	165.6	0	0	0	115.4
489	K	28.9	Very low	32	Very low	186 Å²	186	142.8 Å²	142.8	81%	0.809	80%	0.804	S	S	*	*			trans	-81.6	135.9	-166.7	-74.4	165.8	174.2	163	0	115.4
490	S	32	Very low	32	Very low	100 Å²	100	146.4 Å²	146.4	70%	0.699	82%	0.816	S	S	*	*				99.4	154	123.9	78.1	0	0	0	0	123.4
491	K	33.5	Very low	32.1	Very low	178 Å²	178	147.2 Å²	147.2	77%	0.774	82%	0.822	S	S	*	*			trans	87.9	104.9	155.4	-67	174.4	-177.9	176.5	0	120.1
492	Y	30	Very low	32.2	Very low	213 Å²	213	149.1 Å²	149.1	84%	0.835	82%	0.823	S	S	*	*			trans	31.9	129.8	130.7	-63.7	-81.6	0	0	0	120.7
493	T	35.3	Very low	32.2	Very low	142 Å²	142	155.7 Å²	155.7	87%	0.871	83%	0.832	S	S	*	*				-167.8	163.5	103	17.6	0	0	0	0	111.8
494	N	31.6	Very low	32.4	Very low	162 Å²	162	154.2 Å²	154.2	87%	0.866	83%	0.828	S	S	*	*			trans	-94.1	149.1	-175.3	-65	-6.1	0	0	0	112.5
495	G	34.4	Very low	32.1	Very low	78 Å²	78	157.9 Å²	157.9	80%	0.804	83%	0.829	S	S	*	*			trans	-122.8	143.3	169.7	0	0	0	0	0	111.7
496	Q	34.4	Very low	32.2	Very low	193 Å²	193	159.2 Å²	159.2	90%	0.902	84%	0.835	S	S	*	*			trans	-89.4	142.2	-160.7	-70.8	166.9	-63	0	0	116.3
497	T	30.2	Very low	31.8	Very low	121 Å²	121	160.6 Å²	160.6	74%	0.742	83%	0.831	S	S	*	*			trans	-15.1	145.4	149.5	55.1	0	0	0	0	119.3
498	T	35.6	Very low	31.9	Very low	144 Å²	144	158.7 Å²	158.7	88%	0.883	83%	0.83	S	S	*	*			trans	-136.3	158.1	130.6	46.2	0	0	0	0	110.4
499	T	27.8	Very low	31.5	Very low	134 Å²	134	158.9 Å²	158.9	82%	0.822	83%	0.829	S	S	*	*			trans	-136	154.2	175	51.2	0	0	0	0	109.6
500	M	30.2	Very low	31.6	Very low	187 Å²	187	156 Å²	156	92%	0.921	83%	0.83	S	S	*	*			trans	-134.5	141.4	162.7	-81.7	-134.4	-61.5	0	0	109.3
501	D	29	Very low	31.4	Very low	143 Å²	143	156.6 Å²	156.6	77%	0.765	83%	0.834	S	S	*	*			trans	-141.4	137	-177.1	-168.4	-3.6	0	0	0	108.6
502	K	35.2	Very low	31.6	Very low	199 Å²	199	152.3 Å²	152.3	87%	0.865	83%	0.827	S	S	*	*			trans	-149.8	116.7	175	-76.5	-165.7	177.7	179.8	0	110.5
503	R	27.9	Very low	31.9	Very low	243 Å²	243	149 Å²	149	92%	0.917	82%	0.824	S	S	*	*			trans	-110.7	142.6	169.3	-89.2	177.9	161.6	-179.6	-5.4	110.7
504	S	36.4	Very low	31.8	Very low	119 Å²	119	148.8 Å²	148.8	83%	0.832	82%	0.817	S	S	*	*			trans	-151.5	120.4	158.5	53.5	0	0	0	0	111.1
505	H	28.6	Very low	32.1	Very low	165 Å²	165	145.7 Å²	145.7	76%	0.764	81%	0.809	S	S	*	*			trans	-47.7	157.9	175.6	-70.8	-93	0	0	0	116.3
506	I	33.1	Very low	31.9	Very low	171 Å²	171	149.6 Å²	149.6	88%	0.877	81%	0.811	S	S	*	*				-144.7	147.8	130	-96.9	150.3	0	0	0	107.4
507	E	27.7	Very low	31.8	Very low	169 Å²	169	146.3 Å²	146.3	79%	0.79	81%	0.809	S	S	*	*			trans	-125	142.8	179.1	-60.6	179.1	133.5	0	0	110.4
508	S	32.2	Very low	31.7	Very low	113 Å²	113	148 Å²	148	79%	0.79	81%	0.812	S	S	*	*			trans	-169.9	89.3	157.7	-177.7	0	0	0	0	113.6
509	M	27.2	Very low	31.5	Very low	177 Å²	177	149.3 Å²	149.3	87%	0.872	81%	0.812	S	S	*	*				35.7	116.5	125.3	-55	-166.2	102	0	0	122.5
510	C	31.2	Very low	31.6	Very low	125 Å²	125	150.4 Å²	150.4	85%	0.845	81%	0.808	S	S	*	*			trans	167.5	115.9	133.9	-84.7	0	0	0	0	106.2
511	S	29.2	Very low	31.4	Very low	112 Å²	112	146.4 Å²	146.4	78%	0.783	80%	0.804	S	S	*	*				65.4	126.4	60.7	-146.3	0	0	0	0	112.3
512	S	37	Very low	31.6	Very low	89 Å²	89	145.8 Å²	145.8	62%	0.622	80%	0.801	S	S	*	*			cis	-155.1	156.6	14.7	-28.7	0	0	0	0	113.3
513	N	36.3	Very low	31.2	Very low	143 Å²	143	142.3 Å²	142.3	77%	0.765	80%	0.802	S	S	*	*			trans	65.7	144.7	149.9	-56.6	9.4	0	0	0	119
514	D	33.3	Very low	31.3	Very low	137 Å²	137	137.5 Å²	137.5	73%	0.733	79%	0.793	S	S	*	*			cis	-162.9	171.7	-13.6	-117.5	-44.5	0	0	0	112.2
515	S	38.2	Very low	31.1	Very low	98 Å²	98	141 Å²	141	69%	0.685	79%	0.794	S	S	*	*			trans	81.1	89.6	162.8	71.7	0	0	0	0	121.3
516	N	29.8	Very low	31.3	Very low	160 Å²	160	141 Å²	141	86%	0.856	79%	0.788	S	S	*	*				60.6	92.2	126.2	-56.3	-32	0	0	0	121.6
517	S	32.8	Very low	31.2	Very low	123 Å²	123	140 Å²	140	86%	0.86	78%	0.784	S	S	*	*				-153.4	148.4	111.9	65.2	0	0	0	0	111.4
518	I	26.6	Very low	31.3	Very low	157 Å²	157	138.7 Å²	138.7	81%	0.805	79%	0.788	S	S	*	*			trans	-104.8	124	-174.5	-61.2	164	0	0	0	109.5
519	I	32.3	Very low	31.2	Very low	171 Å²	171	139.2 Å²	139.2	88%	0.877	78%	0.782	S	S	*	*			trans	-142.2	144.4	147.6	-97.9	150.3	0	0	0	107.7
520	Q	29.7	Very low	31.3	Very low	158 Å²	158	141.7 Å²	141.7	74%	0.738	78%	0.781	S	S	*	*			trans	-92.5	124.6	-170.7	-65.5	171	-50.8	0	0	111.3	N522	Q520-N522 PolarHBondContact O-N 3.5Å
521	A	26.2	Very low	31.2	Very low	102 Å²	102	141.6 Å²	141.6	84%	0.843	77%	0.768	S	S	*	*			trans	-62.8	118.4	169	0	0	0	0	0	110.5
522	N	32.3	Very low	31.3	Very low	131 Å²	131	142.5 Å²	142.5	70%	0.701	77%	0.769	S	S	*	*			trans	-123.5	108.1	173.2	-90.5	-52.9	0	0	0	109.1	Q520 L524	Q520-N522 PolarHBondContact O-N 3.5Å; N522-L524 PolarHBondContact O-N 3.48Å
523	S	27.5	Very low	30.9	Very low	126 Å²	126	144.8 Å²	144.8	88%	0.881	77%	0.769	S	S	*	*			trans	-68.6	94.2	-179.6	-50.4	0	0	0	0	111.6	K525	S523-K525 PolarHBondContact O-N 2.93Å
524	L	29.8	Very low	30.7	Very low	142 Å²	142	145.7 Å²	145.7	74%	0.743	77%	0.772	S	S	*	*			trans	-81.1	108.3	175.2	-80	167.6	0	0	0	110.8	N522 Y526	N522-L524 PolarHBondContact O-N 3.48Å; L524-Y526 PolarHBondContact O-N 3.25Å
525	K	32.4	Very low	30.4	Very low	192 Å²	192	144.5 Å²	144.5	84%	0.835	77%	0.766	S	S	*	*			trans	-71.3	114.3	164	-70	-176	175.5	-175.2	0	109	S523 L527	S523-K525 PolarHBondContact O-N 2.93Å; K525-L527 PolarHBondContact O-N 3.24Å
526	Y	33.4	Very low	29.9	Very low	164 Å²	164	145.8 Å²	145.8	64%	0.643	78%	0.775	S	S	*	*			trans	-67.1	116.9	168.7	-71.8	-89.2	0	0	0	109.8	Y79 L524	Y79-Y526 PolarHBondContact OH-OH 3Å; L524-Y526 PolarHBondContact O-N 3.25Å
527	L	30.5	Very low	29.8	Very low	151 Å²	151	142.5 Å²	142.5	79%	0.791	76%	0.761	S	S	*	*			trans	-88.3	120.8	161.9	-99.9	76.1	0	0	0	108.3	K525 D529	K525-L527 PolarHBondContact O-N 3.24Å; L527-D529 PolarHBondContact O-N 3.02Å
528	T	29.5	Very low	29.6	Very low	142 Å²	142	143.6 Å²	143.6	87%	0.871	76%	0.757	S	S	*	*			trans	-75.5	103	170.8	51.4	0	0	0	0	109.8
529	D	30.2	Very low	29.6	Very low	124 Å²	124	147.7 Å²	147.7	66%	0.663	76%	0.764	S	S	*	*			trans	-147.4	110.3	174.2	-142.7	-25.1	0	0	0	111.8	L527	L527-D529 PolarHBondContact O-N 3.02Å
530	R	29.4	Very low	29.5	Very low	229 Å²	229	143.9 Å²	143.9	86%	0.864	75%	0.75	S	S	*	*			trans	57.7	85	168.3	-62.1	171.4	-170.3	-147.5	-4.6	117.4
531	E	29.5	Very low	29.5	Very low	122 Å²	122	146 Å²	146	57%	0.57	75%	0.753	S	S	*	*			trans	-74.5	138.3	155.7	-56.5	-151.8	130.9	0	0	111	K58 H533	K58-E531 IonicContact NZ-OE1 3.26Å; K58-E531 PolarHBondContact NZ-OE1 3.44Å; E531-H533 IonicContact OE2-CE1 2.78Å
532	V	30.6	Very low	29.7	Very low	132 Å²	132	148.3 Å²	148.3	80%	0.8	74%	0.744	S	S	*	*			trans	-98.2	94.2	165.2	177	0	0	0	0	106.1	I534	V532-I534 PolarHBondContact O-N 2.95Å; V532-I534 VanDerWaalsContact O-N 3.09Å
533	H	29.5	Very low	29.4	Very low	137 Å²	137	148.3 Å²	148.3	63%	0.634	74%	0.744	S	S	*	*			trans	-60.6	115.8	176.4	-64.8	-71.3	0	0	0	109.8	E531 N535	E531-H533 IonicContact OE2-CE1 2.78Å; H533-N535 VanDerWaalsContact C-N 3.27Å; H533-N535 WeakPolarHBondContact CB-OD1 3.43Å; H533-N535 PolarHBondContact O-N 2.92Å; H533-N535 VanDerWaalsContact O-N 3.09Å; H533-N535 PolarHBondContact O-OD1 2.79Å
534	I	31.7	Very low	29.4	Very low	161 Å²	161	147.9 Å²	147.9	83%	0.826	75%	0.748	S	S	*	*			trans	-82.1	82.3	169	-34.5	177.7	0	0	0	106.2	V532 S536	V532-I534 PolarHBondContact O-N 2.95Å; V532-I534 VanDerWaalsContact O-N 3.09Å; I534-S536 PolarHBondContact O-N 3.31Å
535	N	26.6	Very low	29.3	Very low	112 Å²	112	145.8 Å²	145.8	60%	0.599	75%	0.745	S	S	*	*			trans	-58.6	97.6	-170.9	-74.6	4.4	0	0	0	112.7	H533 T537	H533-N535 VanDerWaalsContact C-N 3.27Å; H533-N535 WeakPolarHBondContact CB-OD1 3.43Å; H533-N535 PolarHBondContact O-N 2.92Å; H533-N535 VanDerWaalsContact O-N 3.09Å; H533-N535 PolarHBondContact O-OD1 2.79Å; N535-T537 WeakPolarHBondContact CB-OG1 3.28Å; N535-T537 PolarHBondContact O-N 3.47Å
536	S	28.5	Very low	29.1	Very low	126 Å²	126	140.6 Å²	140.6	88%	0.881	73%	0.734	S	S	*	*			trans	-84.2	46.4	153.6	-66.1	0	0	0	0	110.3	I534	I534-S536 PolarHBondContact O-N 3.31Å
537	T	27.6	Very low	28.9	Very low	90 Å²	90	143.2 Å²	143.2	55%	0.552	74%	0.742	S	S	*	*			trans	-133.6	109.5	179.5	53.4	0	0	0	0	108.6	N535	N535-T537 WeakPolarHBondContact CB-OG1 3.28Å; N535-T537 PolarHBondContact O-N 3.47Å
538	N	27.9	Very low	28.9	Very low	146 Å²	146	144.1 Å²	144.1	78%	0.781	74%	0.742	S	S	*	*			trans	145.9	83.9	157.7	-77.1	-25	0	0	0	111.4	P540	N538-P540 WeakPolarHBondContact O-CD 3.38Å
539	Y	26.8	Very low	29	Very low	243 Å²	243	143.1 Å²	143.1	95%	0.953	73%	0.731	S	S	*	*			trans	-88.7	112.9	150.6	-87.7	-81.2	0	0	0	107.9
540	P	30.6	Very low	29.4	Very low	91 Å²	91	141.6 Å²	141.6	59%	0.591	73%	0.73	S	S	*	*			trans	-110.7	91.2	-160	38	-31	0	0	0	114.9	N538	N538-P540 WeakPolarHBondContact O-CD 3.38Å
541	Y	28.7	Very low	30.2	Very low	204 Å²	204	131.6 Å²	131.6	80%	0.8	69%	0.694	S	S	*	*			trans	-133.2	103.6	166.2	-84.9	-99.6	0	0	0	109.7
542	K	30	Very low	31	Very low	149 Å²	149	128.7 Å²	128.7	65%	0.648	69%	0.686	S	S	*	*				83	90.8	76.1	-80.5	-176	-167.6	164.7	0	114.3
543	N	27.2	Very low	31.8	Very low	132 Å²	132	125.4 Å²	125.4	71%	0.706	66%	0.661	S	S	*	*				174.7	76.8	106.3	-89.1	-6.2	0	0	0	112.8	S545	N543-S545 PolarHBondContact O-N 3.41Å
544	A	26	Very low	32.8	Very low	116 Å²	116	121.7 Å²	121.7	96%	0.959	64%	0.642	S	S	*	*			trans	-78.5	53.4	171.1	0	0	0	0	0	112.4
545	S	28.9	Very low	33.2	Very low	98 Å²	98	116.8 Å²	116.8	69%	0.685	62%	0.617	S	S	*	*			trans	-153.8	32.6	-177.4	70.9	0	0	0	0	115.1	N543	N543-S545 PolarHBondContact O-N 3.41Å
546	S	27.8	Very low	33.6	Very low	84 Å²	84	116.7 Å²	116.7	59%	0.587	62%	0.616	S	S	*	*			trans	-145.4	126.9	168.6	-71	0	0	0	0	110.1	E548	S546-E548 PolarHBondContact O-N 3.08Å
547	R	30.3	Very low	33.7	Very low	218 Å²	218	117 Å²	117	82%	0.823	60%	0.604	S	S	*	*			trans	-88.6	63.6	170	-80.5	-175	170.5	176.8	-3.9	109.3
548	E	29.5	Very low	34	Very low	171 Å²	171	119 Å²	119	80%	0.799	61%	0.612	S	S	*	*			trans	-86.3	118.5	170.3	-71.3	-179	144.6	0	0	108.1	S546 S550	S546-E548 PolarHBondContact O-N 3.08Å; E548-S550 PolarHBondContact O-N 2.61Å
549	L	32.2	Very low	34.4	Very low	120 Å²	120	116.9 Å²	116.9	63%	0.628	59%	0.592	S	S	*	*			trans	-85.5	101.9	-178	-67.2	92.8	0	0	0	108.6
550	S	39.1	Very low	34.8	Very low	93 Å²	93	106.9 Å²	106.9	65%	0.65	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-70.3	160.5	169.4	67.2	0	0	0	0	111.1	E548	E548-S550 PolarHBondContact O-N 2.61Å
551	L	45.6	Very low	34.9	Very low	19 Å²	19	108.2 Å²	108.2	10%	0.099	56%	0.562	C	S	.	*	P	Polyproline II helix	trans	-64.6	160.7	155.6	-68	169.3	0	0	0	109.3	L205 A208 I217 P225	L205-L551 HydrophobicContact CD2-CD1 4.4Å; A208-L551 HydrophobicContact CB-CD2 3.53Å; I217-L551 HydrophobicContact CB-CD1 4.49Å; P225-L551 HydrophobicContact CG-CD1 3.67Å
552	P	46.6	Very low	35.2	Very low	61 Å²	61	101.8 Å²	101.8	40%	0.396	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-55.2	145.1	162.3	-21.1	33.4	0	0	0	110.1	D204 Y554	D204-P552 HydrophobicContact CB-CG 4.08Å; P552-Y554 HydrophobicContact CB-CE1 3.84Å; P552-Y554 HydrophobicContact CG-CE1 4.42Å; P552-Y554 VanDerWaalsContact O-CE2 3.26Å; P552-Y554 WeakPolarHBondContact O-CE2 3.45Å
553	Q	47.9	Very low	35.5	Very low	62 Å²	62	102.3 Å²	102.3	29%	0.29	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-89.4	127.9	170.6	-63	-167.6	-21	0	0	108.3	T220 Q557	T220-Q553 PolarHBondContact OG1-NE2 2.86Å; Q553-Q557 VanDerWaalsContact OE1-CG 3.31Å
554	Y	50.2	Low	36	Very low	60 Å²	60	100.2 Å²	100.2	24%	0.235	55%	0.547	C	S	.	.	S	Bend	trans	-102	-6.4	-178.4	-48.1	-74.9	0	0	0	112.4	M201 D204 P552	M201-Y554 HydrophobicContact CB-CD1 3.82Å; M201-Y554 HydrophobicContact CB-CE1 3.97Å; M201-Y554 HydrophobicContact CB-CG 4.17Å; M201-Y554 HydrophobicContact CE-CD2 3.82Å; M201-Y554 HydrophobicContact CE-CE2 4.18Å; M201-Y554 HydrophobicContact CE-CG 4.47Å; M201-Y554 HydrophobicContact CG-CD1 3.89Å; M201-Y554 HydrophobicContact CG-CD2 3.81Å; M201-Y554 HydrophobicContact CG-CE1 3.96Å; M201-Y554 HydrophobicContact CG-CE2 3.86Å; M201-Y554 HydrophobicContact CG-CG 3.82Å; M201-Y554 HydrophobicContact SD-CD2 3.93Å; M201-Y554 HydrophobicContact SD-CE2 4.48Å; M201-Y554 HydrophobicContact SD-CG 3.98Å; D204-Y554 HydrophobicContact CB-CE1 4Å; D204-Y554 WeakPolarHBondContact CB-OH 3.24Å; P552-Y554 HydrophobicContact CB-CE1 3.84Å; P552-Y554 HydrophobicContact CG-CE1 4.42Å; P552-Y554 VanDerWaalsContact O-CE2 3.26Å; P552-Y554 WeakPolarHBondContact O-CE2 3.45Å
555	I	39.9	Very low	36.4	Very low	58 Å²	58	98.4 Å²	98.4	30%	0.297	52%	0.519	S	S	.	.	S	Bend	trans	-102.3	128.6	164.3	-59.1	172.2	0	0	0	105.7	V228	V228-I555 HydrophobicContact CG1-CD1 4.43Å; V228-I555 HydrophobicContact CG1-CG1 4.29Å; V228-I555 HydrophobicContact CG2-CD1 4.13Å
556	D	34.8	Very low	36.8	Very low	109 Å²	109	97.9 Å²	97.9	58%	0.583	51%	0.505	S	S	*	.			trans	-71.3	145.2	-175.3	-142.6	-36.3	0	0	0	112	D558	D556-D558 VanDerWaalsContact C-N 3.32Å; D556-D558 PolarHBondContact O-N 2.88Å
557	Q	29.8	Very low	37.1	Very low	132 Å²	132	98.3 Å²	98.3	62%	0.617	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-72.1	-28.8	-172	-68.5	-170.6	-27.7	0	0	112.4	Q553 R559	Q553-Q557 VanDerWaalsContact OE1-CG 3.31Å; Q557-R559 VanDerWaalsContact C-N 3.28Å; Q557-R559 PolarHBondContact O-N 2.82Å
558	D	33.8	Very low	37.2	Very low	134 Å²	134	91.5 Å²	91.5	72%	0.717	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-77.4	-10.4	-176.6	-66.3	-30.2	0	0	0	113.4	D556 I560	D556-D558 VanDerWaalsContact C-N 3.32Å; D556-D558 PolarHBondContact O-N 2.88Å; D558-I560 PolarHBondContact O-N 2.65Å; D558-I560 VanDerWaalsContact O-N 3.16Å
559	R	36.2	Very low	37.4	Very low	100 Å²	100	85.8 Å²	85.8	38%	0.377	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-65	-13.5	176	-93.1	-174.5	151.7	-164	-15.5	114.8	A125 D126 A158 Q557	A125-R559 PolarHBondContact O-NE 2.86Å; D126-R559 IonicContact OD1-CZ 3.17Å; D126-R559 IonicContact OD1-NE 2.72Å; D126-R559 IonicContact OD1-NH2 2.7Å; D126-R559 PolarHBondContact OD1-NH2 3.22Å; A158-R559 VanDerWaalsContact CB-NH2 3.29Å; Q557-R559 VanDerWaalsContact C-N 3.28Å; Q557-R559 PolarHBondContact O-N 2.82Å
560	I	35.2	Very low	37.8	Very low	33 Å²	33	84.2 Å²	84.2	17%	0.169	45%	0.448	C	S	.	.			trans	-133.3	77.3	-167.4	-56.7	176.9	0	0	0	110.6	Q221 D558 I569	Q221-I560 VanDerWaalsContact CD-CD1 3.42Å; Q221-I560 HydrophobicContact CG-CD1 4.1Å; D558-I560 PolarHBondContact O-N 2.65Å; D558-I560 VanDerWaalsContact O-N 3.16Å; I560-I569 HydrophobicContact CD1-CD1 4.42Å; I560-I569 HydrophobicContact CG1-CD1 4.18Å; I560-I569 HydrophobicContact CG2-CD1 3.89Å
561	T	34.2	Very low	37.4	Very low	120 Å²	120	86.2 Å²	86.2	74%	0.736	45%	0.447	S	S	*	.			trans	-83.1	-8.6	178.3	52.7	0	0	0	0	114.3
562	D	34.5	Very low	36.7	Very low	68 Å²	68	90.1 Å²	90.1	36%	0.364	47%	0.465	S	S	.	.			trans	-127.2	107.6	177.6	-167.2	-14.8	0	0	0	113	S564 Q565	D562-S564 PolarHBondContact O-N 3.23Å; D562-S564 VanDerWaalsContact OD1-CB 3.28Å; D562-S564 WeakPolarHBondContact OD1-CB 3.47Å; D562-S564 PolarHBondContact OD1-N 3.46Å; D562-S564 PolarHBondContact OD1-OG 3.48Å; D562-S564 PolarHBondContact OD2-OG 3Å; D562-S564 VanDerWaalsContact OD2-OG 3.14Å; D562-Q565 HydrophobicContact CB-CG 4.41Å; D562-Q565 PolarHBondContact O-N 3.47Å; D562-Q565 PolarHBondContact OD2-NE2 3.42Å
563	N	36	Very low	36.1	Very low	160 Å²	160	89.3 Å²	89.3	86%	0.856	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	3.4	177.2	-75.5	-82.8	0	0	0	114.2
564	S	36.9	Very low	35.3	Very low	89 Å²	89	89.7 Å²	89.7	62%	0.622	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-5.9	177.6	72.1	0	0	0	0	114.8	D562	D562-S564 PolarHBondContact O-N 3.23Å; D562-S564 VanDerWaalsContact OD1-CB 3.28Å; D562-S564 WeakPolarHBondContact OD1-CB 3.47Å; D562-S564 PolarHBondContact OD1-N 3.46Å; D562-S564 PolarHBondContact OD1-OG 3.48Å; D562-S564 PolarHBondContact OD2-OG 3Å; D562-S564 VanDerWaalsContact OD2-OG 3.14Å
565	Q	35.3	Very low	34.4	Very low	78 Å²	78	96.4 Å²	96.4	36%	0.364	49%	0.494	S	S	.	.			trans	-117.4	26	-163.8	-62.9	-148.7	35.9	0	0	116.3	D562 S567 L568 I569	D562-Q565 HydrophobicContact CB-CG 4.41Å; D562-Q565 PolarHBondContact O-N 3.47Å; D562-Q565 PolarHBondContact OD2-NE2 3.42Å; Q565-S567 PolarHBondContact O-N 2.88Å; Q565-L568 HydrophobicContact CB-CB 4.2Å; Q565-L568 HydrophobicContact CG-CD1 4.41Å; Q565-L568 PolarHBondContact O-N 3.15Å; Q565-I569 WeakPolarHBondContact O-CG1 3.44Å; Q565-I569 PolarHBondContact O-N 2.83Å
566	H	37.4	Very low	33.9	Very low	87 Å²	87	102.5 Å²	102.5	40%	0.403	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-20.5	177.7	-117.9	-126.7	0	0	0	115.1	Q221	Q221-H566 PolarHBondContact OE1-NE2 3.38Å
567	S	33.7	Very low	33.5	Very low	93 Å²	93	103.3 Å²	103.3	65%	0.65	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-15.7	172.9	52.3	0	0	0	0	115	Q565	Q565-S567 PolarHBondContact O-N 2.88Å
568	L	33.2	Very low	33.3	Very low	75 Å²	75	102.6 Å²	102.6	39%	0.393	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-27	-178.9	-82.3	151	0	0	0	112.3	Q565 R570 Q571 E572	Q565-L568 HydrophobicContact CB-CB 4.2Å; Q565-L568 HydrophobicContact CG-CD1 4.41Å; Q565-L568 PolarHBondContact O-N 3.15Å; L568-R570 PolarHBondContact O-N 3.26Å; L568-Q571 PolarHBondContact O-N 2.72Å; L568-E572 PolarHBondContact O-N 3.4Å
569	I	33.7	Very low	33	Very low	50 Å²	50	104.2 Å²	104.2	26%	0.256	54%	0.538	S	S	.	.	H	α-helix	trans	-60.3	-27.2	171.4	-65.6	160.7	0	0	0	111.4	I560 Q565 Q571	I560-I569 HydrophobicContact CD1-CD1 4.42Å; I560-I569 HydrophobicContact CG1-CD1 4.18Å; I560-I569 HydrophobicContact CG2-CD1 3.89Å; Q565-I569 WeakPolarHBondContact O-CG1 3.44Å; Q565-I569 PolarHBondContact O-N 2.83Å; I569-Q571 PolarHBondContact O-N 3.47Å
570	R	39	Very low	32.5	Very low	88 Å²	88	110.8 Å²	110.8	33%	0.332	58%	0.579	S	S	.	*	H	α-helix	trans	-65.9	-11.6	169.5	-83.4	-169	174.6	106.3	-3.3	114.6	D254 L568	D254-R570 IonicContact OD2-CZ 3.17Å; D254-R570 VanDerWaalsContact OD2-CZ 3.22Å; D254-R570 IonicContact OD2-NH1 2.67Å; D254-R570 PolarHBondContact OD2-NH1 2.7Å; D254-R570 IonicContact OD2-NH2 2.87Å; D254-R570 PolarHBondContact OD2-NH2 3.09Å; L568-R570 PolarHBondContact O-N 3.26Å
571	Q	32.5	Very low	32.4	Very low	134 Å²	134	114.7 Å²	114.7	63%	0.626	60%	0.599	S	S	*	*	H	α-helix	trans	-105.5	-39.5	175.5	-60.6	-164.1	-83.3	0	0	112.6	L568 I569 C574	L568-Q571 PolarHBondContact O-N 2.72Å; I569-Q571 PolarHBondContact O-N 3.47Å; Q571-C574 PolarHBondContact O-N 2.83Å
572	E	30.2	Very low	32.3	Very low	102 Å²	102	114.4 Å²	114.4	48%	0.477	59%	0.592	S	S	.	*	H	α-helix	trans	-75.5	-29.4	-169	-138.1	61.3	-136	0	0	113.9	L568 C574 R575	L568-E572 PolarHBondContact O-N 3.4Å; E572-C574 PolarHBondContact O-N 3.23Å; E572-C574 VanDerWaalsContact O-N 3.08Å; E572-R575 IonicContact OE1-CZ 2.78Å; E572-R575 IonicContact OE1-NE 3.91Å; E572-R575 PolarHBondContact OE1-NE 2.9Å; E572-R575 IonicContact OE1-NH2 2.79Å; E572-R575 PolarHBondContact OE1-NH2 3.07Å
573	C	33.3	Very low	32.2	Very low	43 Å²	43	116.9 Å²	116.9	29%	0.291	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.8	15.5	171.8	-72	0	0	0	0	114.1	W265	W265-C573 HydrophobicContact CH2-CB 4.03Å
574	C	32.3	Very low	31.9	Very low	71 Å²	71	114.4 Å²	114.4	48%	0.48	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-138.1	43.2	-174.5	-159.8	0	0	0	0	113	W265 Q571 E572 R576	W265-C574 HydrophobicContact CZ3-CB 4.15Å; Q571-C574 PolarHBondContact O-N 2.83Å; E572-C574 PolarHBondContact O-N 3.23Å; E572-C574 VanDerWaalsContact O-N 3.08Å; C574-R576 PolarHBondContact O-N 3.26Å
575	R	30.6	Very low	31.6	Very low	201 Å²	201	116 Å²	116	76%	0.758	59%	0.588	S	S	*	*			trans	-77.4	62.2	179.7	-76.8	-168.8	175.4	-174.4	2.7	113.8	E572	E572-R575 IonicContact OE1-CZ 2.78Å; E572-R575 IonicContact OE1-NE 3.91Å; E572-R575 PolarHBondContact OE1-NE 2.9Å; E572-R575 IonicContact OE1-NH2 2.79Å; E572-R575 PolarHBondContact OE1-NH2 3.07Å
576	R	28.8	Very low	31.4	Very low	185 Å²	185	118.5 Å²	118.5	70%	0.698	60%	0.603	S	S	*	*			trans	-113.3	47.3	179.9	-155.3	167.9	-173.6	149	1.1	113.7	C574	C574-R576 PolarHBondContact O-N 3.26Å
577	C	26.7	Very low	31	Very low	127 Å²	127	120.8 Å²	120.8	86%	0.858	62%	0.617	S	S	*	*	S	Bend	trans	-161.4	-13.5	169	-107.6	0	0	0	0	119.3
578	T	25.2	Very low	30.7	Very low	117 Å²	117	122.9 Å²	122.9	72%	0.718	62%	0.615	S	S	*	*			trans	-136.2	90	-172.8	46.8	0	0	0	0	114.7
579	I	27.8	Very low	30.5	Very low	168 Å²	168	126.9 Å²	126.9	86%	0.862	63%	0.633	S	S	*	*			trans	-122.4	70.1	148.8	-57.2	-175.9	0	0	0	107.8
580	L	26.5	Very low	30.3	Very low	237 Å²	237	133.9 Å²	133.9	100%	1.241	67%	0.667	S	S	*	*			trans	-149.4	0	161.8	-83.5	-175.8	0	0	0	108.1

Retrieved 580 of 580 residues in 955.8 ms (Link to these results)

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