A0A061IQJ4_CRIGR Loading...

Ubiquitin carboxyl-terminal hydrolase

Deubiquitinating enzyme that removes conjugated ubiquitin from specific proteins to regulate different cellular processes.

AlphaFold DB , UniProt , Accession A0A061IQJ4, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Usp49, Length 685 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43	Very low	69.3	Low	216 Å²	216	116.6 Å²	116.6	100%	1.064	53%	0.527	S	S	*	.				0	91.7	0	-80.9	-168.8	-168.3	0	0	107	R146	M1-R146 PolarHBondContact O-NH2 3.24Å
2	D	56.2	Low	69.1	Low	111 Å²	111	111.3 Å²	111.3	59%	0.594	51%	0.505	S	S	*	.			trans	-112.7	18.9	-148.6	-68.3	-69.7	0	0	0	116.4	R146	D2-R146 IonicContact OD1-CZ 3.84Å; D2-R146 IonicContact OD1-NH1 3.24Å; D2-R146 PolarHBondContact OD1-NH1 2.91Å; D2-R146 IonicContact OD1-NH2 2.74Å; D2-R146 PolarHBondContact OD1-NH2 2.8Å
3	R	68.9	Low	68.6	Low	205 Å²	205	105.3 Å²	105.3	77%	0.774	49%	0.488	S	S	*	.	S	Bend	trans	-144.9	132.6	175.6	-62.2	-173.3	178.2	-174.5	-1.2	111	K5 N85	R3-K5 PolarHBondContact O-N 3.47Å; R3-N85 HydrophobicContact CB-CB 4.28Å; R3-N85 HydrophobicContact CG-CB 4.14Å
4	C	78.7	Confident	67.9	Low	14 Å²	14	111.8 Å²	111.8	10%	0.095	52%	0.519	C	S	.	.			trans	-69.8	112.7	172.6	179	0	0	0	0	109.2	H6 V7 C76 C79 V83 N85	C4-H6 PolarHBondContact O-N 3.11Å; C4-V7 HydrophobicContact CB-CG2 3.84Å; C4-V7 PolarHBondContact O-N 3.44Å; C4-C76 VanDerWaalsContact SG-SG 3.69Å; C4-C79 VanDerWaalsContact SG-SG 3.63Å; C4-V83 HydrophobicContact CB-CG2 3.9Å; C4-N85 WeakPolarHBondContact CB-OD1 3.17Å; C4-N85 PolarHBondContact N-OD1 3.13Å; C4-N85 PolarHBondContact O-ND2 3.21Å; C4-N85 VanDerWaalsContact O-ND2 3.13Å
5	K	80	Confident	67.1	Low	177 Å²	177	113.1 Å²	113.1	77%	0.77	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.7	179.6	-62	-177.9	-178.9	-178.7	0	112.8	R3 V7 G8	R3-K5 PolarHBondContact O-N 3.47Å; K5-V7 PolarHBondContact O-N 3.45Å; K5-G8 PolarHBondContact O-N 3.06Å
6	H	81.3	Confident	66.9	Low	61 Å²	61	107.8 Å²	107.8	28%	0.282	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-23.1	-179.9	-50.9	112.4	0	0	0	112.6	C4 R9 C76 C79	C4-H6 PolarHBondContact O-N 3.11Å; H6-R9 PolarHBondContact O-N 2.69Å; H6-C76 PolarHBondContact ND1-SG 2.94Å; H6-C76 VanDerWaalsContact ND1-SG 3.39Å; H6-C79 PolarHBondContact CE1-SG 3.21Å; H6-C79 PolarHBondContact ND1-SG 3.01Å
7	V	78.8	Confident	66.5	Low	0 Å²	0	102.1 Å²	102.1	0%	0	48%	0.481	C	S	.	.	G	3₁₀ helix	trans	-73.5	-34.2	177.4	172.4	0	0	0	0	111.7	C4 K5 R9 L10 L65 V83 N87 L92	C4-V7 HydrophobicContact CB-CG2 3.84Å; C4-V7 PolarHBondContact O-N 3.44Å; K5-V7 PolarHBondContact O-N 3.45Å; V7-R9 PolarHBondContact O-N 3.34Å; V7-L10 WeakPolarHBondContact O-CB 3.16Å; V7-L10 PolarHBondContact O-N 3.32Å; V7-L10 VanDerWaalsContact O-N 3.12Å; V7-L65 HydrophobicContact CG2-CD1 4.12Å; V7-L65 HydrophobicContact CG2-CD2 3.97Å; V7-V83 HydrophobicContact CB-CG1 4.37Å; V7-V83 HydrophobicContact CG1-CG1 4.4Å; V7-V83 HydrophobicContact CG2-CB 4.08Å; V7-V83 HydrophobicContact CG2-CG1 3.31Å; V7-V83 HydrophobicContact CG2-CG2 3.61Å; V7-N87 HydrophobicContact CG1-CB 3.93Å; V7-N87 VanDerWaalsContact O-CB 3.31Å; V7-N87 WeakPolarHBondContact O-CB 3.29Å; V7-L92 HydrophobicContact CB-CD1 4.48Å; V7-L92 HydrophobicContact CG1-CD1 3.31Å
8	G	69.2	Low	66.5	Low	47 Å²	47	96.6 Å²	96.6	49%	0.485	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-68.1	-13.8	174.7	0	0	0	0	0	114	K5	K5-G8 PolarHBondContact O-N 3.06Å
9	R	67.4	Low	66.5	Low	216 Å²	216	95.5 Å²	95.5	82%	0.815	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-105.5	9.3	175.2	-61.4	-177.7	-178.4	178.1	-1.5	112.3	H6 V7 R11	H6-R9 PolarHBondContact O-N 2.69Å; V7-R9 PolarHBondContact O-N 3.34Å; R9-R11 PolarHBondContact O-N 3.22Å
10	L	71.1	Confident	66.9	Low	17 Å²	17	93.7 Å²	93.7	9%	0.089	45%	0.445	C	S	.	.			trans	-68.5	123.4	180	-179.2	67.4	0	0	0	109.2	V7 L12 L39 L65 L92	V7-L10 WeakPolarHBondContact O-CB 3.16Å; V7-L10 PolarHBondContact O-N 3.32Å; V7-L10 VanDerWaalsContact O-N 3.12Å; L10-L12 HydrophobicContact CD1-CD2 4.48Å; L10-L12 HydrophobicContact CD2-CD2 4.05Å; L10-L12 HydrophobicContact CG-CD2 4.3Å; L10-L39 HydrophobicContact CD1-CB 3.61Å; L10-L39 HydrophobicContact CD1-CD1 4.45Å; L10-L39 HydrophobicContact CD2-CB 4.45Å; L10-L39 HydrophobicContact CD2-CD1 4.04Å; L10-L65 HydrophobicContact CB-CD1 4.31Å; L10-L65 HydrophobicContact CD1-CD1 3.92Å; L10-L92 HydrophobicContact CD2-CD1 4.04Å; L10-L92 HydrophobicContact CD2-CD2 4.28Å; L10-L92 HydrophobicContact CD2-CG 3.77Å
11	R	68.1	Low	67.3	Low	219 Å²	219	91 Å²	91	83%	0.826	44%	0.435	S	S	*	.			trans	-117.1	116.4	163.1	-67.1	-170.4	179.3	-159.4	-0.9	106.9	R9	R9-R11 PolarHBondContact O-N 3.22Å
12	L	66.3	Low	68.7	Low	52 Å²	52	89 Å²	89	27%	0.272	42%	0.424	S	S	.	.			trans	-65.4	132.3	174.3	-67.8	-177.5	0	0	0	108.7	L10 H16 L39 D91 L95	L10-L12 HydrophobicContact CD1-CD2 4.48Å; L10-L12 HydrophobicContact CD2-CD2 4.05Å; L10-L12 HydrophobicContact CG-CD2 4.3Å; L12-H16 VanDerWaalsContact CA-NE2 3.26Å; L12-H16 WeakPolarHBondContact CA-NE2 3.39Å; L12-H16 VanDerWaalsContact CB-NE2 3.29Å; L12-H16 WeakPolarHBondContact CB-NE2 3.45Å; L12-L39 HydrophobicContact CD2-CB 4.44Å; L12-L39 HydrophobicContact CD2-CD2 4.43Å; L12-D91 HydrophobicContact CD1-CB 3.72Å; L12-D91 HydrophobicContact CG-CB 4.23Å; L12-L95 HydrophobicContact CD2-CD2 4.2Å
13	A	62.8	Low	69.7	Low	34 Å²	34	88.7 Å²	88.7	28%	0.281	42%	0.417	S	S	.	.			trans	-68	146.1	171.8	0	0	0	0	0	110.1	D15 H16	A13-D15 PolarHBondContact O-N 3.13Å; A13-H16 PolarHBondContact N-CE1 3.44Å; A13-H16 PolarHBondContact N-NE2 3.46Å; A13-H16 PolarHBondContact O-CD2 3.16Å; A13-H16 PolarHBondContact O-NE2 2.93Å; A13-H16 VanDerWaalsContact O-NE2 3.16Å
14	Q	58.3	Low	70.5	Confident	196 Å²	196	80.5 Å²	80.5	92%	0.916	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.8	-177.4	-69.6	174	-5.9	0	0	112.8
15	D	56.8	Low	70.8	Confident	131 Å²	131	81.7 Å²	81.7	70%	0.701	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	48.6	-171.3	-45.3	-35.8	0	0	0	113.1	A13 S17 S42	A13-D15 PolarHBondContact O-N 3.13Å; D15-S17 PolarHBondContact O-N 3.24Å; D15-S42 WeakPolarHBondContact O-CB 3.46Å
16	H	63.1	Low	71.1	Confident	28 Å²	28	73.3 Å²	73.3	13%	0.13	36%	0.358	C	S	.	.			trans	-72.7	114.8	-175.4	-82.9	-53.6	0	0	0	113.7	L12 A13 I18 L39	L12-H16 VanDerWaalsContact CA-NE2 3.26Å; L12-H16 WeakPolarHBondContact CA-NE2 3.39Å; L12-H16 VanDerWaalsContact CB-NE2 3.29Å; L12-H16 WeakPolarHBondContact CB-NE2 3.45Å; A13-H16 PolarHBondContact N-CE1 3.44Å; A13-H16 PolarHBondContact N-NE2 3.46Å; A13-H16 PolarHBondContact O-CD2 3.16Å; A13-H16 PolarHBondContact O-NE2 2.93Å; A13-H16 VanDerWaalsContact O-NE2 3.16Å; H16-I18 HydrophobicContact CB-CB 4.32Å; H16-I18 HydrophobicContact CB-CD1 4.4Å; H16-I18 HydrophobicContact CB-CG1 3.91Å; H16-I18 PolarHBondContact O-N 3.28Å; H16-I18 VanDerWaalsContact O-N 3.08Å; H16-L39 PolarHBondContact CE1-O 2.97Å
17	S	60.5	Low	71.3	Confident	12 Å²	12	75.7 Å²	75.7	8%	0.084	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-59.6	-13.6	165	-60.2	0	0	0	0	113.6	D15 L19 N20 K23 S42	D15-S17 PolarHBondContact O-N 3.24Å; S17-L19 VanDerWaalsContact C-N 3.29Å; S17-L19 PolarHBondContact O-N 3.18Å; S17-N20 PolarHBondContact O-N 3.16Å; S17-N20 VanDerWaalsContact O-N 3.13Å; S17-K23 WeakPolarHBondContact OG-CD 3.36Å; S17-S42 VanDerWaalsContact CB-O 3.3Å; S17-S42 WeakPolarHBondContact CB-O 3.37Å; S17-S42 PolarHBondContact OG-O 3.49Å
18	I	66.6	Low	71.6	Confident	2 Å²	2	80.2 Å²	80.2	1%	0.01	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-60.5	-38	-176.7	-40.2	-171.1	0	0	0	111.3	H16 N20 W24 A37 L39 V69 L95 L99	H16-I18 HydrophobicContact CB-CB 4.32Å; H16-I18 HydrophobicContact CB-CD1 4.4Å; H16-I18 HydrophobicContact CB-CG1 3.91Å; H16-I18 PolarHBondContact O-N 3.28Å; H16-I18 VanDerWaalsContact O-N 3.08Å; I18-N20 VanDerWaalsContact C-N 3.31Å; I18-N20 PolarHBondContact O-N 3.2Å; I18-W24 PolarHBondContact O-NE1 2.94Å; I18-A37 HydrophobicContact CB-CB 4.23Å; I18-A37 HydrophobicContact CD1-CB 3.98Å; I18-A37 HydrophobicContact CG1-CB 3.63Å; I18-A37 HydrophobicContact CG2-CB 4Å; I18-L39 HydrophobicContact CD1-CD2 3.72Å; I18-V69 HydrophobicContact CG2-CG1 4.27Å; I18-L95 HydrophobicContact CD1-CD2 4.27Å; I18-L99 HydrophobicContact CG2-CD1 3.8Å; I18-L99 HydrophobicContact CG2-CD2 3.88Å; I18-L99 HydrophobicContact CG2-CG 4.38Å; I18-L99 WeakPolarHBondContact O-CD2 3.45Å
19	L	66.3	Low	72.4	Confident	77 Å²	77	80.4 Å²	80.4	40%	0.403	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-84.2	-3.2	-178.9	-63.3	176.3	0	0	0	113.6	S17 P21 L95 L99	S17-L19 VanDerWaalsContact C-N 3.29Å; S17-L19 PolarHBondContact O-N 3.18Å; L19-P21 WeakPolarHBondContact O-CD 3.33Å; L19-L95 HydrophobicContact CD2-CD1 4.07Å; L19-L95 HydrophobicContact CG-CD1 4.43Å; L19-L99 HydrophobicContact CD2-CD2 3.99Å; L19-L99 HydrophobicContact CD2-CG 4.24Å
20	N	75.5	Confident	73.1	Confident	58 Å²	58	74.4 Å²	74.4	31%	0.31	38%	0.378	S	S	.	.			trans	-105.9	105.4	177.7	-173.6	-15.2	0	0	0	110.6	S17 I18 Q22 K23	S17-N20 PolarHBondContact O-N 3.16Å; S17-N20 VanDerWaalsContact O-N 3.13Å; I18-N20 VanDerWaalsContact C-N 3.31Å; I18-N20 PolarHBondContact O-N 3.2Å; N20-Q22 PolarHBondContact O-N 3.13Å; N20-Q22 VanDerWaalsContact O-N 3.08Å; N20-Q22 WeakPolarHBondContact OD1-CB 3.46Å; N20-Q22 PolarHBondContact OD1-N 2.86Å; N20-K23 HydrophobicContact CB-CD 4.3Å; N20-K23 HydrophobicContact CB-CG 4.25Å; N20-K23 PolarHBondContact O-N 2.98Å
21	P	74.4	Confident	73.6	Confident	37 Å²	37	75 Å²	75	24%	0.24	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-59.9	-22.2	-178.8	-26.7	36.8	0	0	0	115.1	L19 K23 W24 V102	L19-P21 WeakPolarHBondContact O-CD 3.33Å; P21-K23 PolarHBondContact O-N 3.43Å; P21-W24 HydrophobicContact CB-CD2 4.38Å; P21-W24 HydrophobicContact CB-CE3 4.45Å; P21-W24 HydrophobicContact CG-CH2 4.45Å; P21-W24 HydrophobicContact CG-CZ2 4.28Å; P21-W24 PolarHBondContact O-N 3.45Å; P21-V102 HydrophobicContact CG-CG1 3.29Å
22	Q	73.3	Confident	74.2	Confident	175 Å²	175	68.1 Å²	68.1	82%	0.818	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-72.1	-15.8	176.7	-62	-178.9	-15.4	0	0	112.2	N20	N20-Q22 PolarHBondContact O-N 3.13Å; N20-Q22 VanDerWaalsContact O-N 3.08Å; N20-Q22 WeakPolarHBondContact OD1-CB 3.46Å; N20-Q22 PolarHBondContact OD1-N 2.86Å
23	K	76.8	Confident	74.6	Confident	104 Å²	104	72 Å²	72	45%	0.452	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-102.5	10.1	179.4	-60.1	-172.6	177.5	-175.9	0	113	S17 N20 P21 C25	S17-K23 WeakPolarHBondContact OG-CD 3.36Å; N20-K23 HydrophobicContact CB-CD 4.3Å; N20-K23 HydrophobicContact CB-CG 4.25Å; N20-K23 PolarHBondContact O-N 2.98Å; P21-K23 PolarHBondContact O-N 3.43Å; K23-C25 PolarHBondContact O-N 3.47Å
24	W	85	Confident	75.6	Confident	33 Å²	33	72.3 Å²	72.3	13%	0.125	38%	0.381	C	S	.	.			trans	-81.7	55.1	177.3	-65.5	-2.2	0	0	0	112.1	I18 P21 V69 L99 V102 Q103	I18-W24 PolarHBondContact O-NE1 2.94Å; P21-W24 HydrophobicContact CB-CD2 4.38Å; P21-W24 HydrophobicContact CB-CE3 4.45Å; P21-W24 HydrophobicContact CG-CH2 4.45Å; P21-W24 HydrophobicContact CG-CZ2 4.28Å; P21-W24 PolarHBondContact O-N 3.45Å; W24-V69 HydrophobicContact CB-CG2 4.15Å; W24-V69 HydrophobicContact CD2-CB 4.07Å; W24-V69 HydrophobicContact CD2-CG2 3.76Å; W24-V69 HydrophobicContact CE3-CG2 4.02Å; W24-V69 HydrophobicContact CG-CB 4.3Å; W24-V69 HydrophobicContact CG-CG2 3.82Å; W24-L99 HydrophobicContact CZ2-CD2 3.91Å; W24-V102 HydrophobicContact CH2-CG1 4.49Å; W24-V102 HydrophobicContact CZ2-CG1 4.38Å; W24-Q103 HydrophobicContact CH2-CG 3.76Å; W24-Q103 HydrophobicContact CZ3-CG 4.18Å
25	C	85	Confident	77	Confident	39 Å²	39	63 Å²	63	26%	0.264	34%	0.338	S	S	.	.	S	Bend	trans	-138.1	148.6	173.1	55.8	0	0	0	0	109.3	K23 L27 T31 T32 V44	K23-C25 PolarHBondContact O-N 3.47Å; C25-L27 PolarHBondContact O-N 2.84Å; C25-T31 CarbonylContact C-O 3.57Å; C25-T31 VanDerWaalsContact CA-O 3.29Å; C25-T31 WeakPolarHBondContact CA-O 3.24Å; C25-T32 HydrophobicContact CB-CG2 4.01Å; C25-V44 WeakPolarHBondContact O-CB 3.31Å; C25-V44 WeakPolarHBondContact O-CG1 3.36Å
26	C	87.4	Confident	78.7	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.007	31%	0.308	C	S	.	.			trans	-63.6	129.2	173.9	178.4	0	0	0	0	109.7	E28 S30 T31 V44 C46	C26-E28 PolarHBondContact O-N 3.37Å; C26-E28 PolarHBondContact SG-N 2.95Å; C26-S30 WeakPolarHBondContact O-CA 3.48Å; C26-S30 PolarHBondContact O-N 2.82Å; C26-T31 HydrophobicContact CB-CG2 3.78Å; C26-T31 PolarHBondContact N-O 3.45Å; C26-V44 WeakPolarHBondContact CA-O 3.37Å; C26-C46 HydrophobicContact CB-CB 3.95Å; C26-C46 PolarHBondContact SG-N 3.46Å
27	L	85.6	Confident	79.9	Confident	111 Å²	111	56.3 Å²	56.3	58%	0.581	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-22	-179.9	-70.8	165.5	0	0	0	113.4	C25 H43 V44	C25-L27 PolarHBondContact O-N 2.84Å; L27-H43 HydrophobicContact CD1-CB 4.47Å; L27-H43 WeakPolarHBondContact CD1-ND1 3.38Å; L27-V44 PolarHBondContact N-O 3.38Å
28	E	84.8	Confident	81.3	Confident	95 Å²	95	55.9 Å²	55.9	44%	0.444	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-54.5	-178.8	-65.2	-175.3	-123.2	0	0	112.3	C26 H53	C26-E28 PolarHBondContact O-N 3.37Å; C26-E28 PolarHBondContact SG-N 2.95Å; E28-H53 IonicContact OE1-CD2 3.74Å; E28-H53 PolarHBondContact OE1-CD2 3.19Å; E28-H53 IonicContact OE1-CG 2.59Å; E28-H53 IonicContact OE2-CD2 3.96Å; E28-H53 PolarHBondContact OE2-CD2 2.98Å; E28-H53 IonicContact OE2-CG 2.94Å; E28-H53 IonicContact OE2-NE2 2.74Å; E28-H53 PolarHBondContact OE2-NE2 3.14Å
29	C	85.3	Confident	82.2	Confident	51 Å²	51	55.8 Å²	55.8	35%	0.345	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	3.3	-175.8	64.9	0	0	0	0	114.4	T31	C29-T31 PolarHBondContact O-N 2.92Å; C29-T31 WeakPolarHBondContact SG-CG2 3.07Å
30	S	82.7	Confident	83	Confident	91 Å²	91	58 Å²	58	64%	0.636	30%	0.304	S	S	*	.			trans	58.5	8.7	-179.2	-59.8	0	0	0	0	115.6	C26	C26-S30 WeakPolarHBondContact O-CA 3.48Å; C26-S30 PolarHBondContact O-N 2.82Å
31	T	80.6	Confident	83.4	Confident	28 Å²	28	56.4 Å²	56.4	17%	0.172	30%	0.298	C	S	.	.			trans	-65.5	137.9	177.4	-170.3	0	0	0	0	111	C25 C26 C29 E33 C46 I50	C25-T31 CarbonylContact C-O 3.57Å; C25-T31 VanDerWaalsContact CA-O 3.29Å; C25-T31 WeakPolarHBondContact CA-O 3.24Å; C26-T31 HydrophobicContact CB-CG2 3.78Å; C26-T31 PolarHBondContact N-O 3.45Å; C29-T31 PolarHBondContact O-N 2.92Å; C29-T31 WeakPolarHBondContact SG-CG2 3.07Å; T31-E33 PolarHBondContact OG1-N 3.19Å; T31-C46 HydrophobicContact CG2-CB 3.37Å; T31-I50 HydrophobicContact CG2-CD1 4.3Å; T31-I50 HydrophobicContact CG2-CG2 4.32Å
32	T	80.9	Confident	83.9	Confident	75 Å²	75	57.7 Å²	57.7	46%	0.46	31%	0.308	S	S	.	.			trans	-95.6	-7.9	171.1	59.8	0	0	0	0	111.7	C25 R70	C25-T32 HydrophobicContact CB-CG2 4.01Å; T32-R70 PolarHBondContact O-NH2 2.87Å
33	E	75.4	Confident	84.5	Confident	133 Å²	133	51.3 Å²	51.3	62%	0.621	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	132.5	178.4	-59.8	-174	167.9	0	0	109.8	T31 A35 I50	T31-E33 PolarHBondContact OG1-N 3.19Å; E33-A35 PolarHBondContact O-N 3.34Å; E33-I50 HydrophobicContact CB-CD1 4.04Å; E33-I50 WeakPolarHBondContact O-CD1 3.36Å
34	S	84.1	Confident	85	Confident	41 Å²	41	46.5 Å²	46.5	29%	0.287	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.6	64.9	-175.7	-158.4	0	0	0	0	112.4	W36 G47	S34-W36 PolarHBondContact OG-NE1 3.09Å; S34-G47 PolarHBondContact O-N 2.95Å
35	A	87.8	Confident	85.2	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	116.7	178.6	0	0	0	0	0	110.1	E33 V44 V69	E33-A35 PolarHBondContact O-N 3.34Å; A35-V44 HydrophobicContact CB-CG1 4.11Å; A35-V69 HydrophobicContact CB-CG2 3.87Å; A35-V69 WeakPolarHBondContact O-CG2 3.5Å; A35-V69 PolarHBondContact O-N 3.15Å
36	W	90.8	Very high	85.4	Confident	19 Å²	19	43.2 Å²	43.2	7%	0.072	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.3	179.5	-68.5	75.3	0	0	0	109.6	S34 V44 A45 G47 A54 A66 M67 E68 F75 Y82	S34-W36 PolarHBondContact OG-NE1 3.09Å; W36-V44 WeakPolarHBondContact O-CA 3.32Å; W36-A45 PolarHBondContact N-O 3.21Å; W36-A45 PolarHBondContact O-N 2.93Å; W36-G47 VanDerWaalsContact NE1-CA 3.29Å; W36-A54 HydrophobicContact CB-CB 4.09Å; W36-A54 HydrophobicContact CG-CB 4.49Å; W36-A66 HydrophobicContact CB-CB 4.35Å; W36-A66 HydrophobicContact CE3-CB 4.1Å; W36-M67 CarbonylContact C-O 3.6Å; W36-M67 WeakPolarHBondContact CA-O 3.5Å; W36-E68 HydrophobicContact CD2-CB 3.89Å; W36-E68 HydrophobicContact CD2-CG 4.14Å; W36-E68 HydrophobicContact CE3-CB 3.97Å; W36-E68 HydrophobicContact CH2-CB 3.95Å; W36-E68 HydrophobicContact CH2-CG 4.48Å; W36-E68 HydrophobicContact CZ2-CB 3.85Å; W36-E68 HydrophobicContact CZ2-CG 3.88Å; W36-E68 HydrophobicContact CZ3-CB 4Å; W36-F75 HydrophobicContact CE3-CB 4.41Å; W36-F75 HydrophobicContact CH2-CB 3.98Å; W36-F75 HydrophobicContact CZ3-CB 3.53Å; W36-Y82 HydrophobicContact CH2-CE1 4.12Å
37	A	89.4	Confident	85.1	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.008	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	131.6	176.8	0	0	0	0	0	110.7	I18 V44 A66 M67 V69	I18-A37 HydrophobicContact CB-CB 4.23Å; I18-A37 HydrophobicContact CD1-CB 3.98Å; I18-A37 HydrophobicContact CG1-CB 3.63Å; I18-A37 HydrophobicContact CG2-CB 4Å; A37-V44 HydrophobicContact CB-CG2 4.01Å; A37-A66 CarbonylContact O-C 3.59Å; A37-A66 WeakPolarHBondContact O-CA 3.46Å; A37-M67 PolarHBondContact N-O 3.43Å; A37-M67 PolarHBondContact O-N 3.36Å; A37-V69 HydrophobicContact CB-CG1 3.8Å
38	C	89.2	Confident	84.3	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.02	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	133.2	178	-175.3	0	0	0	0	110.4	K40 C41 H43 H63	C38-K40 PolarHBondContact O-N 2.8Å; C38-K40 PolarHBondContact SG-N 2.65Å; C38-C41 VanDerWaalsContact CB-SG 3.57Å; C38-C41 PolarHBondContact SG-SG 3.45Å; C38-H43 WeakPolarHBondContact CB-O 3.29Å; C38-H43 PolarHBondContact N-O 2.84Å; C38-H63 VanDerWaalsContact SG-CB 3.53Å
39	L	86	Confident	83.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-81.2	-3.7	179.3	-63.5	-175.4	0	0	0	113.6	L10 L12 H16 I18 L65 M67 V74 L92 L95	L10-L39 HydrophobicContact CD1-CB 3.61Å; L10-L39 HydrophobicContact CD1-CD1 4.45Å; L10-L39 HydrophobicContact CD2-CB 4.45Å; L10-L39 HydrophobicContact CD2-CD1 4.04Å; L12-L39 HydrophobicContact CD2-CB 4.44Å; L12-L39 HydrophobicContact CD2-CD2 4.43Å; H16-L39 PolarHBondContact CE1-O 2.97Å; I18-L39 HydrophobicContact CD1-CD2 3.72Å; L39-L65 HydrophobicContact CB-CB 4.2Å; L39-L65 HydrophobicContact CD1-CB 4.15Å; L39-L65 HydrophobicContact CG-CB 4.47Å; L39-L65 PolarHBondContact N-O 2.8Å; L39-M67 HydrophobicContact CD1-CB 4.42Å; L39-M67 HydrophobicContact CD2-CB 3.73Å; L39-M67 HydrophobicContact CD2-CE 4.43Å; L39-M67 HydrophobicContact CG-CB 4.2Å; L39-V74 HydrophobicContact CD1-CG1 3.9Å; L39-V74 HydrophobicContact CD1-CG2 4.35Å; L39-L92 HydrophobicContact CD1-CD2 3.76Å; L39-L95 HydrophobicContact CD2-CD2 3.58Å
40	K	82.3	Confident	83.2	Confident	122 Å²	122	47.5 Å²	47.5	53%	0.53	24%	0.242	S	C	.	.	S	Bend	trans	-111.6	-16.2	-179.5	-166.3	167.7	173.1	-164.1	0	114	C38 H63	C38-K40 PolarHBondContact O-N 2.8Å; C38-K40 PolarHBondContact SG-N 2.65Å; K40-H63 HydrophobicContact CB-CB 4.46Å
41	C	85.6	Confident	83	Confident	26 Å²	26	48.6 Å²	48.6	18%	0.176	24%	0.237	C	C	.	.	S	Bend	trans	-146.9	-179.4	179.1	67.2	0	0	0	0	111.1	C38 H43 H57 H63	C38-C41 VanDerWaalsContact CB-SG 3.57Å; C38-C41 PolarHBondContact SG-SG 3.45Å; C41-H43 VanDerWaalsContact C-N 3.27Å; C41-H43 PolarHBondContact O-N 2.77Å; C41-H43 VanDerWaalsContact SG-CB 3.58Å; C41-H57 VanDerWaalsContact SG-CE1 3.53Å; C41-H63 PolarHBondContact SG-ND1 2.81Å
42	S	83.8	Confident	83.2	Confident	64 Å²	64	50.3 Å²	50.3	45%	0.448	25%	0.245	S	C	.	.	S	Bend	trans	-83.2	2.9	-177.6	60.9	0	0	0	0	114.5	D15 S17	D15-S42 WeakPolarHBondContact O-CB 3.46Å; S17-S42 VanDerWaalsContact CB-O 3.3Å; S17-S42 WeakPolarHBondContact CB-O 3.37Å; S17-S42 PolarHBondContact OG-O 3.49Å
43	H	85.9	Confident	83.5	Confident	40 Å²	40	47.5 Å²	47.5	19%	0.185	23%	0.227	C	C	.	.			trans	-74.5	136.3	-174.9	-166.8	91.3	0	0	0	112.3	L27 C38 C41 H57	L27-H43 HydrophobicContact CD1-CB 4.47Å; L27-H43 WeakPolarHBondContact CD1-ND1 3.38Å; C38-H43 WeakPolarHBondContact CB-O 3.29Å; C38-H43 PolarHBondContact N-O 2.84Å; C41-H43 VanDerWaalsContact C-N 3.27Å; C41-H43 PolarHBondContact O-N 2.77Å; C41-H43 VanDerWaalsContact SG-CB 3.58Å; H43-H57 AromaticContact CD2-CE1 3.9Å; H43-H57 AromaticContact CD2-CG 3.69Å; H43-H57 AromaticContact CD2-ND1 3.49Å; H43-H57 PolarHBondContact CD2-ND1 2.85Å; H43-H57 AromaticContact CG-CE1 3.67Å; H43-H57 AromaticContact CG-ND1 3.57Å; H43-H57 AromaticContact NE2-ND1 3.97Å
44	V	88.5	Confident	84.1	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.7	175.6	-177.2	0	0	0	0	108.6	C25 C26 L27 A35 W36 A37	C25-V44 WeakPolarHBondContact O-CB 3.31Å; C25-V44 WeakPolarHBondContact O-CG1 3.36Å; C26-V44 WeakPolarHBondContact CA-O 3.37Å; L27-V44 PolarHBondContact N-O 3.38Å; A35-V44 HydrophobicContact CB-CG1 4.11Å; W36-V44 WeakPolarHBondContact O-CA 3.32Å; A37-V44 HydrophobicContact CB-CG2 4.01Å
45	A	88.4	Confident	84.3	Confident	3 Å²	3	42 Å²	42	3%	0.025	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	159.7	-174.1	0	0	0	0	0	111.5	W36 H53 A54	W36-A45 PolarHBondContact N-O 3.21Å; W36-A45 PolarHBondContact O-N 2.93Å; A45-H53 HydrophobicContact CB-CB 3.91Å; A45-A54 HydrophobicContact CB-CB 3.89Å
46	C	88.4	Confident	84.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	152.2	176.4	72.7	0	0	0	0	111.3	C26 T31 I50 E51 H53 A54	C26-C46 HydrophobicContact CB-CB 3.95Å; C26-C46 PolarHBondContact SG-N 3.46Å; T31-C46 HydrophobicContact CG2-CB 3.37Å; C46-I50 HydrophobicContact CB-CB 4.06Å; C46-I50 HydrophobicContact CB-CD1 4.19Å; C46-I50 HydrophobicContact CB-CG2 4.08Å; C46-E51 PolarHBondContact SG-N 2.85Å; C46-H53 PolarHBondContact SG-ND1 3.28Å; C46-A54 VanDerWaalsContact O-CB 3.31Å; C46-A54 WeakPolarHBondContact O-CB 3.38Å; C46-A54 PolarHBondContact O-N 3.42Å; C46-A54 VanDerWaalsContact O-N 3.13Å
47	G	81	Confident	84.2	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.01	22%	0.215	C	C	.	.			trans	-63.6	167	179.3	0	0	0	0	0	114.3	S34 W36 Y49 I50	S34-G47 PolarHBondContact O-N 2.95Å; W36-G47 VanDerWaalsContact NE1-CA 3.29Å; G47-Y49 PolarHBondContact O-N 3.12Å; G47-I50 PolarHBondContact O-N 3.42Å; G47-I50 VanDerWaalsContact O-N 3.1Å
48	R	70.3	Confident	84.3	Confident	104 Å²	104	47.3 Å²	47.3	39%	0.392	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-3.5	-175.9	70.4	179.9	-62	176.7	4.3	117.2	D52	R48-D52 WeakPolarHBondContact CA-OD1 3.4Å; R48-D52 WeakPolarHBondContact CB-OD1 3.06Å
49	Y	69.3	Low	84.3	Confident	187 Å²	187	53.8 Å²	53.8	73%	0.733	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	9.2	-178.8	-57.9	-64.6	0	0	0	111.2	G47	G47-Y49 PolarHBondContact O-N 3.12Å
50	I	76.4	Confident	84.5	Confident	57 Å²	57	61 Å²	61	29%	0.292	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-87.8	173.9	-58	178.4	0	0	0	107.2	T31 E33 C46 G47	T31-I50 HydrophobicContact CG2-CD1 4.3Å; T31-I50 HydrophobicContact CG2-CG2 4.32Å; E33-I50 HydrophobicContact CB-CD1 4.04Å; E33-I50 WeakPolarHBondContact O-CD1 3.36Å; C46-I50 HydrophobicContact CB-CB 4.06Å; C46-I50 HydrophobicContact CB-CD1 4.19Å; C46-I50 HydrophobicContact CB-CG2 4.08Å; G47-I50 PolarHBondContact O-N 3.42Å; G47-I50 VanDerWaalsContact O-N 3.1Å
51	E	77.9	Confident	84.8	Confident	114 Å²	114	58 Å²	58	53%	0.533	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.3	16.4	-177.8	-66.1	-63.4	149.9	0	0	112.4	C46 H53 K56	C46-E51 PolarHBondContact SG-N 2.85Å; E51-H53 WeakPolarHBondContact CB-CE1 3.23Å; E51-H53 PolarHBondContact O-N 2.88Å; E51-K56 PolarHBondContact O-NZ 2.88Å
52	D	85.9	Confident	84.9	Confident	64 Å²	64	58.8 Å²	58.8	34%	0.342	29%	0.291	S	S	.	.			trans	57.6	17.8	175.9	-76.5	-47.6	0	0	0	115.7	R48 A54 L55 K56	R48-D52 WeakPolarHBondContact CA-OD1 3.4Å; R48-D52 WeakPolarHBondContact CB-OD1 3.06Å; D52-A54 PolarHBondContact O-N 3.47Å; D52-A54 VanDerWaalsContact O-N 3.16Å; D52-L55 HydrophobicContact CB-CB 4.36Å; D52-L55 WeakPolarHBondContact O-CA 3.45Å; D52-L55 WeakPolarHBondContact O-CB 3.29Å; D52-L55 PolarHBondContact O-N 3.29Å; D52-K56 PolarHBondContact O-N 3.21Å
53	H	87.5	Confident	85.2	Confident	15 Å²	15	57.4 Å²	57.4	7%	0.069	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-32.3	-179	-64.6	128.7	0	0	0	113.2	E28 A45 C46 E51 L55 K56 H57	E28-H53 IonicContact OE1-CD2 3.74Å; E28-H53 PolarHBondContact OE1-CD2 3.19Å; E28-H53 IonicContact OE1-CG 2.59Å; E28-H53 IonicContact OE2-CD2 3.96Å; E28-H53 PolarHBondContact OE2-CD2 2.98Å; E28-H53 IonicContact OE2-CG 2.94Å; E28-H53 IonicContact OE2-NE2 2.74Å; E28-H53 PolarHBondContact OE2-NE2 3.14Å; A45-H53 HydrophobicContact CB-CB 3.91Å; C46-H53 PolarHBondContact SG-ND1 3.28Å; E51-H53 WeakPolarHBondContact CB-CE1 3.23Å; E51-H53 PolarHBondContact O-N 2.88Å; H53-L55 VanDerWaalsContact C-N 3.27Å; H53-L55 PolarHBondContact O-N 2.84Å; H53-K56 PolarHBondContact NE2-NZ 2.9Å; H53-K56 PolarHBondContact O-N 2.71Å; H53-H57 VanDerWaalsContact O-CB 3.29Å; H53-H57 WeakPolarHBondContact O-CB 3.33Å; H53-H57 PolarHBondContact O-N 2.95Å
54	A	87.4	Confident	85.3	Confident	4 Å²	4	56.5 Å²	56.5	3%	0.033	28%	0.275	C	S	.	.	H	α-helix	trans	-68	-27.4	174.9	0	0	0	0	0	113.2	W36 A45 C46 D52 F58 Y77	W36-A54 HydrophobicContact CB-CB 4.09Å; W36-A54 HydrophobicContact CG-CB 4.49Å; A45-A54 HydrophobicContact CB-CB 3.89Å; C46-A54 VanDerWaalsContact O-CB 3.31Å; C46-A54 WeakPolarHBondContact O-CB 3.38Å; C46-A54 PolarHBondContact O-N 3.42Å; C46-A54 VanDerWaalsContact O-N 3.13Å; D52-A54 PolarHBondContact O-N 3.47Å; D52-A54 VanDerWaalsContact O-N 3.16Å; A54-F58 PolarHBondContact O-N 2.77Å; A54-Y77 WeakPolarHBondContact CB-OH 3.37Å
55	L	87.7	Confident	85.3	Confident	56 Å²	56	56.7 Å²	56.7	29%	0.293	28%	0.276	S	S	.	.	H	α-helix	trans	-77.7	-45.6	173.2	177.5	65.3	0	0	0	110.8	D52 H53 H57 F58 E59 Y77	D52-L55 HydrophobicContact CB-CB 4.36Å; D52-L55 WeakPolarHBondContact O-CA 3.45Å; D52-L55 WeakPolarHBondContact O-CB 3.29Å; D52-L55 PolarHBondContact O-N 3.29Å; H53-L55 VanDerWaalsContact C-N 3.27Å; H53-L55 PolarHBondContact O-N 2.84Å; L55-H57 VanDerWaalsContact C-N 3.33Å; L55-H57 PolarHBondContact O-N 2.78Å; L55-F58 HydrophobicContact CD1-CD1 4.29Å; L55-F58 WeakPolarHBondContact O-CA 3.45Å; L55-F58 WeakPolarHBondContact O-CB 3.46Å; L55-F58 PolarHBondContact O-N 2.88Å; L55-E59 WeakPolarHBondContact O-CG 3.34Å; L55-E59 PolarHBondContact O-N 2.88Å; L55-Y77 HydrophobicContact CB-CE1 4.15Å; L55-Y77 HydrophobicContact CD1-CD1 3.72Å; L55-Y77 HydrophobicContact CD1-CE1 4.03Å
56	K	87.4	Confident	85.3	Confident	78 Å²	78	56.9 Å²	56.9	34%	0.339	28%	0.277	S	S	.	.	H	α-helix	trans	-57.9	-45.7	176	-65.3	177.6	-169.6	160.9	0	111.5	E51 D52 H53 F58 E59 E60	E51-K56 PolarHBondContact O-NZ 2.88Å; D52-K56 PolarHBondContact O-N 3.21Å; H53-K56 PolarHBondContact NE2-NZ 2.9Å; H53-K56 PolarHBondContact O-N 2.71Å; K56-F58 VanDerWaalsContact C-N 3.27Å; K56-F58 PolarHBondContact O-N 2.97Å; K56-E59 PolarHBondContact O-N 2.88Å; K56-E60 WeakPolarHBondContact O-CG 3.45Å; K56-E60 PolarHBondContact O-N 2.86Å
57	H	90.4	Very high	85.3	Confident	16 Å²	16	56.9 Å²	56.9	7%	0.074	28%	0.277	C	S	.	.	H	α-helix	trans	-56.5	-39.7	173.7	174.1	74.7	0	0	0	112.4	C41 H43 H53 L55 T61 H63	C41-H57 VanDerWaalsContact SG-CE1 3.53Å; H43-H57 AromaticContact CD2-CE1 3.9Å; H43-H57 AromaticContact CD2-CG 3.69Å; H43-H57 AromaticContact CD2-ND1 3.49Å; H43-H57 PolarHBondContact CD2-ND1 2.85Å; H43-H57 AromaticContact CG-CE1 3.67Å; H43-H57 AromaticContact CG-ND1 3.57Å; H43-H57 AromaticContact NE2-ND1 3.97Å; H53-H57 VanDerWaalsContact O-CB 3.29Å; H53-H57 WeakPolarHBondContact O-CB 3.33Å; H53-H57 PolarHBondContact O-N 2.95Å; L55-H57 VanDerWaalsContact C-N 3.33Å; L55-H57 PolarHBondContact O-N 2.78Å; H57-T61 WeakPolarHBondContact O-CB 3.25Å; H57-T61 PolarHBondContact O-N 2.97Å; H57-T61 PolarHBondContact O-OG1 2.54Å; H57-H63 AromaticContact CE1-ND1 3.8Å; H57-H63 AromaticContact NE2-ND1 3.45Å; H57-H63 PolarHBondContact NE2-ND1 2.89Å
58	F	91.6	Very high	85.7	Confident	37 Å²	37	57.3 Å²	57.3	16%	0.162	28%	0.279	C	S	.	.	H	α-helix	trans	-67.1	-41.7	174.4	163.2	-107.9	0	0	0	112.3	A54 L55 K56 E60 G62 H63 P64 Y77 L78	A54-F58 PolarHBondContact O-N 2.77Å; L55-F58 HydrophobicContact CD1-CD1 4.29Å; L55-F58 WeakPolarHBondContact O-CA 3.45Å; L55-F58 WeakPolarHBondContact O-CB 3.46Å; L55-F58 PolarHBondContact O-N 2.88Å; K56-F58 VanDerWaalsContact C-N 3.27Å; K56-F58 PolarHBondContact O-N 2.97Å; F58-E60 VanDerWaalsContact C-N 3.3Å; F58-E60 PolarHBondContact O-N 2.85Å; F58-G62 WeakPolarHBondContact O-CA 3.38Å; F58-G62 PolarHBondContact O-N 2.78Å; F58-H63 VanDerWaalsContact CD2-O 3.29Å; F58-H63 WeakPolarHBondContact CD2-O 3.34Å; F58-P64 HydrophobicContact CE2-CB 4.11Å; F58-Y77 HydrophobicContact CB-CD2 4.13Å; F58-Y77 HydrophobicContact CB-CG 4.06Å; F58-Y77 VanDerWaalsContact CD1-CB 3.45Å; F58-Y77 HydrophobicContact CD1-CD1 4.45Å; F58-Y77 HydrophobicContact CD1-CG 4.06Å; F58-Y77 HydrophobicContact CG-CD2 4.35Å; F58-Y77 AromaticContact CG-CG 3.95Å; F58-Y77 HydrophobicContact CG-CG 3.95Å; F58-L78 HydrophobicContact CE2-CD2 4.14Å; F58-L78 HydrophobicContact CE2-CG 4.02Å; F58-L78 HydrophobicContact CZ-CD2 3.75Å; F58-L78 HydrophobicContact CZ-CG 3.99Å
59	E	88.9	Confident	86.3	Confident	138 Å²	138	52.4 Å²	52.4	65%	0.645	26%	0.261	S	S	*	.	H	α-helix	trans	-64.5	-35.1	178.6	-69.7	176.2	167.9	0	0	112.1	L55 K56	L55-E59 WeakPolarHBondContact O-CG 3.34Å; L55-E59 PolarHBondContact O-N 2.88Å; K56-E59 PolarHBondContact O-N 2.88Å
60	E	89.6	Confident	86.8	Confident	151 Å²	151	49.3 Å²	49.3	71%	0.706	25%	0.248	S	C	*	.	H	α-helix	trans	-81.3	-41.9	179.8	-69.1	172.6	-174.6	0	0	113.3	K56 F58	K56-E60 WeakPolarHBondContact O-CG 3.45Å; K56-E60 PolarHBondContact O-N 2.86Å; F58-E60 VanDerWaalsContact C-N 3.3Å; F58-E60 PolarHBondContact O-N 2.85Å
61	T	88.2	Confident	87	Confident	60 Å²	60	50.7 Å²	50.7	37%	0.368	26%	0.256	S	S	.	.	H	α-helix	trans	-104.7	-12.8	-171.6	67.5	0	0	0	0	114.1	H57 H63	H57-T61 WeakPolarHBondContact O-CB 3.25Å; H57-T61 PolarHBondContact O-N 2.97Å; H57-T61 PolarHBondContact O-OG1 2.54Å; T61-H63 PolarHBondContact O-CD2 3.42Å; T61-H63 PolarHBondContact O-N 3.47Å; T61-H63 WeakPolarHBondContact OG1-CB 3.5Å; T61-H63 PolarHBondContact OG1-N 2.82Å; T61-H63 PolarHBondContact OG1-ND1 3.33Å
62	G	87.8	Confident	87.2	Confident	43 Å²	43	45.6 Å²	45.6	44%	0.443	23%	0.232	S	C	.	.			trans	66.3	19	-173.6	0	0	0	0	0	113.7	F58 P64	F58-G62 WeakPolarHBondContact O-CA 3.38Å; F58-G62 PolarHBondContact O-N 2.78Å; G62-P64 VanDerWaalsContact O-CD 3.23Å; G62-P64 WeakPolarHBondContact O-CD 3.39Å
63	H	90.4	Very high	87.1	Confident	34 Å²	34	46.1 Å²	46.1	16%	0.157	23%	0.23	C	C	.	.			trans	-81.3	104.4	-178.7	-69.8	167.5	0	0	0	112.5	C38 K40 C41 H57 F58 T61 L65	C38-H63 VanDerWaalsContact SG-CB 3.53Å; K40-H63 HydrophobicContact CB-CB 4.46Å; C41-H63 PolarHBondContact SG-ND1 2.81Å; H57-H63 AromaticContact CE1-ND1 3.8Å; H57-H63 AromaticContact NE2-ND1 3.45Å; H57-H63 PolarHBondContact NE2-ND1 2.89Å; F58-H63 VanDerWaalsContact CD2-O 3.29Å; F58-H63 WeakPolarHBondContact CD2-O 3.34Å; T61-H63 PolarHBondContact O-CD2 3.42Å; T61-H63 PolarHBondContact O-N 3.47Å; T61-H63 WeakPolarHBondContact OG1-CB 3.5Å; T61-H63 PolarHBondContact OG1-N 2.82Å; T61-H63 PolarHBondContact OG1-ND1 3.33Å; H63-L65 PolarHBondContact O-N 2.88Å
64	P	87.5	Confident	87.1	Confident	22 Å²	22	45.4 Å²	45.4	14%	0.143	23%	0.227	C	C	.	.			trans	-86.3	-7.1	-158.9	34.9	-36.5	0	0	0	114.5	F58 G62 C76 Y77 L78	F58-P64 HydrophobicContact CE2-CB 4.11Å; G62-P64 VanDerWaalsContact O-CD 3.23Å; G62-P64 WeakPolarHBondContact O-CD 3.39Å; P64-C76 CarbonylContact O-C 3.55Å; P64-C76 WeakPolarHBondContact O-CA 3.47Å; P64-Y77 PolarHBondContact O-N 3.36Å; P64-L78 HydrophobicContact CB-CB 4.27Å; P64-L78 HydrophobicContact CB-CD1 3.43Å; P64-L78 VanDerWaalsContact CB-CD1 3.43Å; P64-L78 HydrophobicContact CB-CG 3.63Å; P64-L78 HydrophobicContact CG-CD1 4.05Å
65	L	88.5	Confident	87.2	Confident	6 Å²	6	45.7 Å²	45.7	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	127.7	-171.8	-68	171.4	0	0	0	110.8	V7 L10 L39 H63 V74 C76 V83	V7-L65 HydrophobicContact CG2-CD1 4.12Å; V7-L65 HydrophobicContact CG2-CD2 3.97Å; L10-L65 HydrophobicContact CB-CD1 4.31Å; L10-L65 HydrophobicContact CD1-CD1 3.92Å; L39-L65 HydrophobicContact CB-CB 4.2Å; L39-L65 HydrophobicContact CD1-CB 4.15Å; L39-L65 HydrophobicContact CG-CB 4.47Å; L39-L65 PolarHBondContact N-O 2.8Å; H63-L65 PolarHBondContact O-N 2.88Å; L65-V74 HydrophobicContact CD2-CG1 4.22Å; L65-C76 HydrophobicContact CD2-CB 3.65Å; L65-V83 HydrophobicContact CD2-CG2 3.79Å
66	A	89.2	Confident	87.2	Confident	7 Å²	7	43 Å²	43	6%	0.058	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145.3	173.2	0	0	0	0	0	110.4	W36 A37 V74 F75 Y77	W36-A66 HydrophobicContact CB-CB 4.35Å; W36-A66 HydrophobicContact CE3-CB 4.1Å; A37-A66 CarbonylContact O-C 3.59Å; A37-A66 WeakPolarHBondContact O-CA 3.46Å; A66-V74 CarbonylContact O-C 3.59Å; A66-V74 WeakPolarHBondContact O-CA 3.43Å; A66-F75 PolarHBondContact N-O 2.72Å; A66-F75 PolarHBondContact O-N 3.18Å; A66-Y77 HydrophobicContact CB-CE2 4.02Å
67	M	88.2	Confident	87.2	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.9	177.1	-178.5	179.5	-75.1	0	0	110.2	W36 A37 L39 Y73 V74 L92 L95 R96 L99	W36-M67 CarbonylContact C-O 3.6Å; W36-M67 WeakPolarHBondContact CA-O 3.5Å; A37-M67 PolarHBondContact N-O 3.43Å; A37-M67 PolarHBondContact O-N 3.36Å; L39-M67 HydrophobicContact CD1-CB 4.42Å; L39-M67 HydrophobicContact CD2-CB 3.73Å; L39-M67 HydrophobicContact CD2-CE 4.43Å; L39-M67 HydrophobicContact CG-CB 4.2Å; M67-Y73 CarbonylContact C-O 3.57Å; M67-Y73 VanDerWaalsContact CA-O 3.31Å; M67-Y73 WeakPolarHBondContact CA-O 3.2Å; M67-V74 HydrophobicContact CB-CG2 4.03Å; M67-V74 HydrophobicContact CE-CG2 3.41Å; M67-V74 VanDerWaalsContact CE-CG2 3.41Å; M67-V74 HydrophobicContact CG-CG2 4Å; M67-L92 HydrophobicContact CE-CD2 3.46Å; M67-L92 VanDerWaalsContact CE-CD2 3.46Å; M67-L95 HydrophobicContact CE-CD2 3.89Å; M67-L95 HydrophobicContact CE-CG 4.42Å; M67-L95 HydrophobicContact SD-CD2 3.99Å; M67-L95 HydrophobicContact SD-CG 4.31Å; M67-R96 HydrophobicContact CE-CG 3.99Å; M67-L99 HydrophobicContact SD-CD1 3.6Å; M67-L99 VanDerWaalsContact SD-CD1 3.6Å
68	E	89.4	Confident	86.9	Confident	11 Å²	11	43.8 Å²	43.8	5%	0.051	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	123.5	171.3	-158.3	-83.5	164	0	0	108.5	W36 R70 D71 L72 Y73	W36-E68 HydrophobicContact CD2-CB 3.89Å; W36-E68 HydrophobicContact CD2-CG 4.14Å; W36-E68 HydrophobicContact CE3-CB 3.97Å; W36-E68 HydrophobicContact CH2-CB 3.95Å; W36-E68 HydrophobicContact CH2-CG 4.48Å; W36-E68 HydrophobicContact CZ2-CB 3.85Å; W36-E68 HydrophobicContact CZ2-CG 3.88Å; W36-E68 HydrophobicContact CZ3-CB 4Å; E68-R70 VanDerWaalsContact C-N 3.27Å; E68-R70 PolarHBondContact O-N 2.9Å; E68-R70 PolarHBondContact OE2-N 2.68Å; E68-D71 WeakPolarHBondContact OE2-CA 3.32Å; E68-D71 WeakPolarHBondContact OE2-CB 3.44Å; E68-D71 PolarHBondContact OE2-N 2.97Å; E68-L72 WeakPolarHBondContact O-CA 3.41Å; E68-L72 PolarHBondContact O-N 2.97Å; E68-Y73 PolarHBondContact N-O 2.92Å
69	V	83.9	Confident	86.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-10.4	-165.4	-59.9	0	0	0	0	114.3	I18 W24 A35 A37 Q103	I18-V69 HydrophobicContact CG2-CG1 4.27Å; W24-V69 HydrophobicContact CB-CG2 4.15Å; W24-V69 HydrophobicContact CD2-CB 4.07Å; W24-V69 HydrophobicContact CD2-CG2 3.76Å; W24-V69 HydrophobicContact CE3-CG2 4.02Å; W24-V69 HydrophobicContact CG-CB 4.3Å; W24-V69 HydrophobicContact CG-CG2 3.82Å; A35-V69 HydrophobicContact CB-CG2 3.87Å; A35-V69 WeakPolarHBondContact O-CG2 3.5Å; A35-V69 PolarHBondContact O-N 3.15Å; A37-V69 HydrophobicContact CB-CG1 3.8Å; V69-Q103 PolarHBondContact O-NE2 2.85Å
70	R	79.7	Confident	86.1	Confident	123 Å²	123	44.9 Å²	44.9	46%	0.464	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-54.2	-176.6	-63.4	-175.5	-174.3	-163.9	2.4	111.5	T32 E68 Q103	T32-R70 PolarHBondContact O-NH2 2.87Å; E68-R70 VanDerWaalsContact C-N 3.27Å; E68-R70 PolarHBondContact O-N 2.9Å; E68-R70 PolarHBondContact OE2-N 2.68Å; R70-Q103 PolarHBondContact O-NE2 3.24Å; R70-Q103 VanDerWaalsContact O-NE2 3.16Å
71	D	79.5	Confident	85.6	Confident	86 Å²	86	39 Å²	39	46%	0.46	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-3.9	-175.6	-55.9	-32.5	0	0	0	112.8	E68 Y73	E68-D71 WeakPolarHBondContact OE2-CA 3.32Å; E68-D71 WeakPolarHBondContact OE2-CB 3.44Å; E68-D71 PolarHBondContact OE2-N 2.97Å; D71-Y73 HydrophobicContact CB-CD2 3.4Å; D71-Y73 HydrophobicContact CB-CE2 3.18Å; D71-Y73 HydrophobicContact CB-CG 4.27Å; D71-Y73 PolarHBondContact O-N 2.98Å; D71-Y73 VanDerWaalsContact O-N 3.11Å
72	L	82.4	Confident	85.4	Confident	6 Å²	6	38.7 Å²	38.7	3%	0.031	19%	0.194	C	C	.	.			trans	64.3	17.3	170.3	-49.2	177.2	0	0	0	114.6	E68 R96 L99 L100	E68-L72 WeakPolarHBondContact O-CA 3.41Å; E68-L72 PolarHBondContact O-N 2.97Å; L72-R96 HydrophobicContact CB-CG 4.15Å; L72-R96 HydrophobicContact CD1-CB 4.24Å; L72-R96 HydrophobicContact CD1-CG 4.45Å; L72-R96 PolarHBondContact O-NE 2.81Å; L72-L99 HydrophobicContact CD2-CB 3.75Å; L72-L99 HydrophobicContact CD2-CD1 3.74Å; L72-L99 HydrophobicContact CD2-CG 4.39Å; L72-L100 HydrophobicContact CD1-CD1 4.12Å; L72-L100 HydrophobicContact CD1-CD2 3.74Å; L72-L100 HydrophobicContact CD1-CG 3.65Å
73	Y	83.6	Confident	85.1	Confident	75 Å²	75	37 Å²	37	29%	0.294	18%	0.175	S	C	.	.			trans	-71.3	138.3	174.8	-58.5	-51.7	0	0	0	110.5	M67 E68 D71	M67-Y73 CarbonylContact C-O 3.57Å; M67-Y73 VanDerWaalsContact CA-O 3.31Å; M67-Y73 WeakPolarHBondContact CA-O 3.2Å; E68-Y73 PolarHBondContact N-O 2.92Å; D71-Y73 HydrophobicContact CB-CD2 3.4Å; D71-Y73 HydrophobicContact CB-CE2 3.18Å; D71-Y73 HydrophobicContact CB-CG 4.27Å; D71-Y73 PolarHBondContact O-N 2.98Å; D71-Y73 VanDerWaalsContact O-N 3.11Å
74	V	87.3	Confident	84.3	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.2	176.7	179.9	0	0	0	0	108.6	L39 L65 A66 M67 Y82 V83 L92	L39-V74 HydrophobicContact CD1-CG1 3.9Å; L39-V74 HydrophobicContact CD1-CG2 4.35Å; L65-V74 HydrophobicContact CD2-CG1 4.22Å; A66-V74 CarbonylContact O-C 3.59Å; A66-V74 WeakPolarHBondContact O-CA 3.43Å; M67-V74 HydrophobicContact CB-CG2 4.03Å; M67-V74 HydrophobicContact CE-CG2 3.41Å; M67-V74 VanDerWaalsContact CE-CG2 3.41Å; M67-V74 HydrophobicContact CG-CG2 4Å; V74-Y82 WeakPolarHBondContact O-CA 3.36Å; V74-V83 HydrophobicContact CB-CB 3.92Å; V74-V83 HydrophobicContact CB-CG1 4.43Å; V74-V83 HydrophobicContact CG1-CB 3.83Å; V74-V83 HydrophobicContact CG1-CG1 4.31Å; V74-V83 HydrophobicContact CG1-CG2 3.92Å; V74-V83 PolarHBondContact O-N 3.14Å; V74-L92 HydrophobicContact CG2-CD2 3.84Å
75	F	89	Confident	83.8	Confident	10 Å²	10	37.7 Å²	37.7	4%	0.044	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	137	176.2	-168.5	-95	0	0	0	110.1	W36 A66 Y77 Y82	W36-F75 HydrophobicContact CE3-CB 4.41Å; W36-F75 HydrophobicContact CH2-CB 3.98Å; W36-F75 HydrophobicContact CZ3-CB 3.53Å; A66-F75 PolarHBondContact N-O 2.72Å; A66-F75 PolarHBondContact O-N 3.18Å; F75-Y77 AromaticContact CD1-CD1 3.87Å; F75-Y77 HydrophobicContact CD1-CD1 3.87Å; F75-Y77 HydrophobicContact CD1-CD2 4.14Å; F75-Y77 AromaticContact CD1-CE1 3.83Å; F75-Y77 HydrophobicContact CD1-CE1 3.83Å; F75-Y77 HydrophobicContact CD1-CE2 4.11Å; F75-Y77 HydrophobicContact CD1-CG 4.02Å; F75-Y77 AromaticContact CD1-CZ 3.95Å; F75-Y77 AromaticContact CE1-CD1 3.73Å; F75-Y77 HydrophobicContact CE1-CD1 3.73Å; F75-Y77 AromaticContact CE1-CE1 3.92Å; F75-Y77 HydrophobicContact CE1-CE1 3.92Å; F75-Y77 HydrophobicContact CE1-CG 4.15Å; F75-Y82 HydrophobicContact CD2-CD1 4.05Å; F75-Y82 HydrophobicContact CD2-CD2 4.06Å; F75-Y82 HydrophobicContact CD2-CE1 4.05Å; F75-Y82 HydrophobicContact CD2-CE2 4.04Å; F75-Y82 HydrophobicContact CD2-CG 4.06Å; F75-Y82 HydrophobicContact CE2-CD2 4.29Å; F75-Y82 HydrophobicContact CE2-CE2 4.23Å
76	C	89.1	Confident	83	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112.2	173.9	-176	0	0	0	0	110.8	C4 H6 P64 L65 L78 C79 K80 D81 V83	C4-C76 VanDerWaalsContact SG-SG 3.69Å; H6-C76 PolarHBondContact ND1-SG 2.94Å; H6-C76 VanDerWaalsContact ND1-SG 3.39Å; P64-C76 CarbonylContact O-C 3.55Å; P64-C76 WeakPolarHBondContact O-CA 3.47Å; L65-C76 HydrophobicContact CD2-CB 3.65Å; C76-L78 VanDerWaalsContact C-N 3.32Å; C76-L78 PolarHBondContact O-N 2.62Å; C76-C79 HydrophobicContact CB-CB 3.96Å; C76-C79 PolarHBondContact O-N 3.37Å; C76-C79 PolarHBondContact SG-N 3.07Å; C76-K80 WeakPolarHBondContact O-CA 3.45Å; C76-K80 PolarHBondContact O-N 3.18Å; C76-D81 PolarHBondContact N-O 2.64Å; C76-D81 PolarHBondContact O-N 2.9Å; C76-V83 HydrophobicContact CB-CG2 3.76Å
77	Y	86.1	Confident	82.4	Confident	17 Å²	17	40.5 Å²	40.5	7%	0.067	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-26.4	-178.9	-69.9	-80.9	0	0	0	113.4	A54 L55 F58 P64 A66 F75 K80	A54-Y77 WeakPolarHBondContact CB-OH 3.37Å; L55-Y77 HydrophobicContact CB-CE1 4.15Å; L55-Y77 HydrophobicContact CD1-CD1 3.72Å; L55-Y77 HydrophobicContact CD1-CE1 4.03Å; F58-Y77 HydrophobicContact CB-CD2 4.13Å; F58-Y77 HydrophobicContact CB-CG 4.06Å; F58-Y77 VanDerWaalsContact CD1-CB 3.45Å; F58-Y77 HydrophobicContact CD1-CD1 4.45Å; F58-Y77 HydrophobicContact CD1-CG 4.06Å; F58-Y77 HydrophobicContact CG-CD2 4.35Å; F58-Y77 AromaticContact CG-CG 3.95Å; F58-Y77 HydrophobicContact CG-CG 3.95Å; P64-Y77 PolarHBondContact O-N 3.36Å; A66-Y77 HydrophobicContact CB-CE2 4.02Å; F75-Y77 AromaticContact CD1-CD1 3.87Å; F75-Y77 HydrophobicContact CD1-CD1 3.87Å; F75-Y77 HydrophobicContact CD1-CD2 4.14Å; F75-Y77 AromaticContact CD1-CE1 3.83Å; F75-Y77 HydrophobicContact CD1-CE1 3.83Å; F75-Y77 HydrophobicContact CD1-CE2 4.11Å; F75-Y77 HydrophobicContact CD1-CG 4.02Å; F75-Y77 AromaticContact CD1-CZ 3.95Å; F75-Y77 AromaticContact CE1-CD1 3.73Å; F75-Y77 HydrophobicContact CE1-CD1 3.73Å; F75-Y77 AromaticContact CE1-CE1 3.92Å; F75-Y77 HydrophobicContact CE1-CE1 3.92Å; F75-Y77 HydrophobicContact CE1-CG 4.15Å; Y77-K80 WeakPolarHBondContact O-CG 3.41Å
78	L	84.6	Confident	81.4	Confident	93 Å²	93	46.1 Å²	46.1	49%	0.487	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-42.3	172.1	-74.1	173.6	0	0	0	112.7	F58 P64 C76 K80	F58-L78 HydrophobicContact CE2-CD2 4.14Å; F58-L78 HydrophobicContact CE2-CG 4.02Å; F58-L78 HydrophobicContact CZ-CD2 3.75Å; F58-L78 HydrophobicContact CZ-CG 3.99Å; P64-L78 HydrophobicContact CB-CB 4.27Å; P64-L78 HydrophobicContact CB-CD1 3.43Å; P64-L78 VanDerWaalsContact CB-CD1 3.43Å; P64-L78 HydrophobicContact CB-CG 3.63Å; P64-L78 HydrophobicContact CG-CD1 4.05Å; C76-L78 VanDerWaalsContact C-N 3.32Å; C76-L78 PolarHBondContact O-N 2.62Å; L78-K80 VanDerWaalsContact C-N 3.25Å
79	C	81.9	Confident	80.4	Confident	50 Å²	50	53.4 Å²	53.4	34%	0.338	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-16.6	175.9	-68	0	0	0	0	112.5	C4 H6 C76 D81	C4-C79 VanDerWaalsContact SG-SG 3.63Å; H6-C79 PolarHBondContact CE1-SG 3.21Å; H6-C79 PolarHBondContact ND1-SG 3.01Å; C76-C79 HydrophobicContact CB-CB 3.96Å; C76-C79 PolarHBondContact O-N 3.37Å; C76-C79 PolarHBondContact SG-N 3.07Å; C79-D81 HydrophobicContact CB-CB 4.26Å; C79-D81 PolarHBondContact O-N 3.33Å
80	K	82.3	Confident	79.8	Confident	148 Å²	148	54.6 Å²	54.6	64%	0.643	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	34.4	-169.2	-57.9	-175.1	178.1	-173.6	0	112	C76 Y77 L78	C76-K80 WeakPolarHBondContact O-CA 3.45Å; C76-K80 PolarHBondContact O-N 3.18Å; Y77-K80 WeakPolarHBondContact O-CG 3.41Å; L78-K80 VanDerWaalsContact C-N 3.25Å
81	D	79.6	Confident	79.5	Confident	27 Å²	27	50.7 Å²	50.7	14%	0.144	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	158.4	-171.6	-159.9	4.7	0	0	0	110.9	C76 C79 R146	C76-D81 PolarHBondContact N-O 2.64Å; C76-D81 PolarHBondContact O-N 2.9Å; C79-D81 HydrophobicContact CB-CB 4.26Å; C79-D81 PolarHBondContact O-N 3.33Å; D81-R146 IonicContact OD2-NE 3.03Å; D81-R146 PolarHBondContact OD2-NE 2.91Å
82	Y	82.9	Confident	79.3	Confident	53 Å²	53	46.6 Å²	46.6	21%	0.208	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	140.6	173.5	-73.2	-88	0	0	0	110.8	W36 V74 F75	W36-Y82 HydrophobicContact CH2-CE1 4.12Å; V74-Y82 WeakPolarHBondContact O-CA 3.36Å; F75-Y82 HydrophobicContact CD2-CD1 4.05Å; F75-Y82 HydrophobicContact CD2-CD2 4.06Å; F75-Y82 HydrophobicContact CD2-CE1 4.05Å; F75-Y82 HydrophobicContact CD2-CE2 4.04Å; F75-Y82 HydrophobicContact CD2-CG 4.06Å; F75-Y82 HydrophobicContact CE2-CD2 4.29Å; F75-Y82 HydrophobicContact CE2-CE2 4.23Å
83	V	81.8	Confident	79	Confident	8 Å²	8	52.7 Å²	52.7	5%	0.048	27%	0.268	C	S	.	.			trans	-84.8	118.3	177.7	167.4	0	0	0	0	109.3	C4 V7 L65 V74 C76 N85	C4-V83 HydrophobicContact CB-CG2 3.9Å; V7-V83 HydrophobicContact CB-CG1 4.37Å; V7-V83 HydrophobicContact CG1-CG1 4.4Å; V7-V83 HydrophobicContact CG2-CB 4.08Å; V7-V83 HydrophobicContact CG2-CG1 3.31Å; V7-V83 HydrophobicContact CG2-CG2 3.61Å; L65-V83 HydrophobicContact CD2-CG2 3.79Å; V74-V83 HydrophobicContact CB-CB 3.92Å; V74-V83 HydrophobicContact CB-CG1 4.43Å; V74-V83 HydrophobicContact CG1-CB 3.83Å; V74-V83 HydrophobicContact CG1-CG1 4.31Å; V74-V83 HydrophobicContact CG1-CG2 3.92Å; V74-V83 PolarHBondContact O-N 3.14Å; C76-V83 HydrophobicContact CB-CG2 3.76Å; V83-N85 WeakPolarHBondContact CG1-O 3.12Å
84	L	74.8	Confident	78.6	Confident	44 Å²	44	54.4 Å²	54.4	23%	0.23	28%	0.282	C	S	.	.			trans	-103.3	-16.6	178.5	-56.5	-179.1	0	0	0	113.5	A142 L143	L84-A142 HydrophobicContact CD2-CB 3.23Å; L84-L143 HydrophobicContact CD1-CD2 3.55Å; L84-L143 HydrophobicContact CD1-CG 4.04Å
85	N	75.4	Confident	78.1	Confident	27 Å²	27	54.8 Å²	54.8	14%	0.144	28%	0.284	C	S	.	.	S	Bend	trans	-99.3	142.2	-179.3	61.1	-67.5	0	0	0	110.8	R3 C4 V83	R3-N85 HydrophobicContact CB-CB 4.28Å; R3-N85 HydrophobicContact CG-CB 4.14Å; C4-N85 WeakPolarHBondContact CB-OD1 3.17Å; C4-N85 PolarHBondContact N-OD1 3.13Å; C4-N85 PolarHBondContact O-ND2 3.21Å; C4-N85 VanDerWaalsContact O-ND2 3.13Å; V83-N85 WeakPolarHBondContact CG1-O 3.12Å
86	D	73	Confident	77.7	Confident	64 Å²	64	56.7 Å²	56.7	34%	0.342	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-79.5	163.4	167.4	-65.9	-29.4	0	0	0	110.7	R96	D86-R96 IonicContact OD1-CZ 3.67Å; D86-R96 IonicContact OD1-NH1 2.89Å; D86-R96 PolarHBondContact OD1-NH1 2.75Å; D86-R96 IonicContact OD1-NH2 3.98Å
87	N	76.8	Confident	77	Confident	8 Å²	8	59.9 Å²	59.9	4%	0.043	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-76.7	148.8	170.7	67.8	-38.6	0	0	0	109.8	V7 E89 G90 D91 L92	V7-N87 HydrophobicContact CG1-CB 3.93Å; V7-N87 VanDerWaalsContact O-CB 3.31Å; V7-N87 WeakPolarHBondContact O-CB 3.29Å; N87-E89 PolarHBondContact O-N 2.94Å; N87-G90 PolarHBondContact O-N 3.5Å; N87-G90 PolarHBondContact OD1-N 3.49Å; N87-D91 WeakPolarHBondContact ND2-CB 3.27Å; N87-D91 PolarHBondContact ND2-OD2 3.06Å; N87-D91 PolarHBondContact OD1-N 3.31Å; N87-L92 PolarHBondContact OD1-N 3.36Å
88	P	66.2	Low	76.5	Confident	118 Å²	118	61 Å²	61	77%	0.766	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.8	-176.8	21.5	-31	0	0	0	113.6	G90	P88-G90 VanDerWaalsContact C-N 3.3Å
89	E	69.6	Low	76.2	Confident	163 Å²	163	56.6 Å²	56.6	76%	0.762	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-11	175.8	-55.1	-159.1	163.4	0	0	113.3	N87 D91	N87-E89 PolarHBondContact O-N 2.94Å; E89-D91 VanDerWaalsContact C-N 3.33Å; E89-D91 PolarHBondContact O-N 3.03Å
90	G	70.7	Confident	76	Confident	26 Å²	26	58.7 Å²	58.7	27%	0.268	31%	0.308	S	S	.	.			trans	81	2.8	175.3	0	0	0	0	0	115.5	N87 P88 L92 K93 L94	N87-G90 PolarHBondContact O-N 3.5Å; N87-G90 PolarHBondContact OD1-N 3.49Å; P88-G90 VanDerWaalsContact C-N 3.3Å; G90-L92 VanDerWaalsContact C-N 3.29Å; G90-L92 PolarHBondContact O-N 3.35Å; G90-K93 WeakPolarHBondContact O-CA 3.46Å; G90-K93 WeakPolarHBondContact O-CB 3.47Å; G90-K93 PolarHBondContact O-N 3.24Å; G90-L94 PolarHBondContact O-N 3.16Å
91	D	73.1	Confident	75.7	Confident	40 Å²	40	54.3 Å²	54.3	21%	0.214	30%	0.299	C	S	.	.	H	α-helix	trans	-56.1	-38.1	-179.1	-53	-48.5	0	0	0	114	L12 N87 E89 K93 L94 L95	L12-D91 HydrophobicContact CD1-CB 3.72Å; L12-D91 HydrophobicContact CG-CB 4.23Å; N87-D91 WeakPolarHBondContact ND2-CB 3.27Å; N87-D91 PolarHBondContact ND2-OD2 3.06Å; N87-D91 PolarHBondContact OD1-N 3.31Å; E89-D91 VanDerWaalsContact C-N 3.33Å; E89-D91 PolarHBondContact O-N 3.03Å; D91-K93 VanDerWaalsContact C-N 3.31Å; D91-K93 PolarHBondContact O-N 2.79Å; D91-L94 PolarHBondContact O-N 3.17Å; D91-L95 VanDerWaalsContact O-CB 3.24Å; D91-L95 WeakPolarHBondContact O-CB 3.49Å; D91-L95 PolarHBondContact O-N 2.99Å
92	L	75.1	Confident	75.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.4	-39	176.4	-94.8	167.3	0	0	0	111.8	V7 L10 L39 M67 V74 N87 G90 L95 R96	V7-L92 HydrophobicContact CB-CD1 4.48Å; V7-L92 HydrophobicContact CG1-CD1 3.31Å; L10-L92 HydrophobicContact CD2-CD1 4.04Å; L10-L92 HydrophobicContact CD2-CD2 4.28Å; L10-L92 HydrophobicContact CD2-CG 3.77Å; L39-L92 HydrophobicContact CD1-CD2 3.76Å; M67-L92 HydrophobicContact CE-CD2 3.46Å; M67-L92 VanDerWaalsContact CE-CD2 3.46Å; V74-L92 HydrophobicContact CG2-CD2 3.84Å; N87-L92 PolarHBondContact OD1-N 3.36Å; G90-L92 VanDerWaalsContact C-N 3.29Å; G90-L92 PolarHBondContact O-N 3.35Å; L92-L95 PolarHBondContact O-N 3.19Å; L92-R96 WeakPolarHBondContact O-CG 3.49Å; L92-R96 PolarHBondContact O-N 3.14Å
93	K	76.4	Confident	74.6	Confident	135 Å²	135	55 Å²	55	59%	0.587	31%	0.306	S	S	*	.	H	α-helix	trans	-70.4	-39.1	177.8	-172.6	178.2	179.2	-178.2	0	110.9	G90 D91 S97	G90-K93 WeakPolarHBondContact O-CA 3.46Å; G90-K93 WeakPolarHBondContact O-CB 3.47Å; G90-K93 PolarHBondContact O-N 3.24Å; D91-K93 VanDerWaalsContact C-N 3.31Å; D91-K93 PolarHBondContact O-N 2.79Å; K93-S97 WeakPolarHBondContact O-CB 3.46Å; K93-S97 PolarHBondContact O-N 3.47Å; K93-S97 VanDerWaalsContact O-N 3.09Å; K93-S97 PolarHBondContact O-OG 2.82Å
94	L	75.8	Confident	73.4	Confident	111 Å²	111	56.5 Å²	56.5	58%	0.581	32%	0.322	S	S	*	.	H	α-helix	trans	-63.3	-47.3	173.1	-173.6	63.2	0	0	0	110.9	G90 D91 R96 S97 S98	G90-L94 PolarHBondContact O-N 3.16Å; D91-L94 PolarHBondContact O-N 3.17Å; L94-R96 PolarHBondContact O-N 2.69Å; L94-S97 CarbonylContact O-C 3.59Å; L94-S97 WeakPolarHBondContact O-CA 3.41Å; L94-S97 WeakPolarHBondContact O-CB 3.49Å; L94-S97 PolarHBondContact O-N 2.82Å; L94-S97 VanDerWaalsContact O-N 3.08Å; L94-S98 PolarHBondContact O-N 3.18Å; L94-S98 PolarHBondContact O-OG 2.98Å; L94-S98 VanDerWaalsContact O-OG 3.12Å
95	L	75.8	Confident	72.4	Confident	9 Å²	9	61.4 Å²	61.4	5%	0.047	34%	0.344	C	S	.	.	H	α-helix	trans	-60.6	-43.8	178.9	-174.3	66	0	0	0	112.2	L12 I18 L19 L39 M67 D91 L92 S97 S98 L99	L12-L95 HydrophobicContact CD2-CD2 4.2Å; I18-L95 HydrophobicContact CD1-CD2 4.27Å; L19-L95 HydrophobicContact CD2-CD1 4.07Å; L19-L95 HydrophobicContact CG-CD1 4.43Å; L39-L95 HydrophobicContact CD2-CD2 3.58Å; M67-L95 HydrophobicContact CE-CD2 3.89Å; M67-L95 HydrophobicContact CE-CG 4.42Å; M67-L95 HydrophobicContact SD-CD2 3.99Å; M67-L95 HydrophobicContact SD-CG 4.31Å; D91-L95 VanDerWaalsContact O-CB 3.24Å; D91-L95 WeakPolarHBondContact O-CB 3.49Å; D91-L95 PolarHBondContact O-N 2.99Å; L92-L95 PolarHBondContact O-N 3.19Å; L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 2.77Å; L95-S98 PolarHBondContact O-N 2.84Å; L95-L99 HydrophobicContact CD1-CD1 4.47Å; L95-L99 HydrophobicContact CG-CD1 4.13Å; L95-L99 WeakPolarHBondContact O-CB 3.4Å; L95-L99 VanDerWaalsContact O-CG 3.28Å; L95-L99 WeakPolarHBondContact O-CG 3.44Å; L95-L99 PolarHBondContact O-N 3.5Å
96	R	80.7	Confident	71	Confident	49 Å²	49	67.8 Å²	67.8	19%	0.185	37%	0.371	C	S	.	.	H	α-helix	trans	-60.2	-42.5	173.3	-71.5	-169.2	-170.7	113.3	-1	111.7	M67 L72 D86 L92 L94 L99 L100	M67-R96 HydrophobicContact CE-CG 3.99Å; L72-R96 HydrophobicContact CB-CG 4.15Å; L72-R96 HydrophobicContact CD1-CB 4.24Å; L72-R96 HydrophobicContact CD1-CG 4.45Å; L72-R96 PolarHBondContact O-NE 2.81Å; D86-R96 IonicContact OD1-CZ 3.67Å; D86-R96 IonicContact OD1-NH1 2.89Å; D86-R96 PolarHBondContact OD1-NH1 2.75Å; D86-R96 IonicContact OD1-NH2 3.98Å; L92-R96 WeakPolarHBondContact O-CG 3.49Å; L92-R96 PolarHBondContact O-N 3.14Å; L94-R96 PolarHBondContact O-N 2.69Å; R96-L99 PolarHBondContact O-N 2.88Å; R96-L100 VanDerWaalsContact O-CG 3.3Å; R96-L100 WeakPolarHBondContact O-CG 3.43Å; R96-L100 PolarHBondContact O-N 3.36Å
97	S	75	Confident	69.4	Low	67 Å²	67	72.9 Å²	72.9	47%	0.469	39%	0.392	S	S	.	.	H	α-helix	trans	-65.8	-41.6	178.6	-53.8	0	0	0	0	111.9	K93 L94 L95 L100 A101	K93-S97 WeakPolarHBondContact O-CB 3.46Å; K93-S97 PolarHBondContact O-N 3.47Å; K93-S97 VanDerWaalsContact O-N 3.09Å; K93-S97 PolarHBondContact O-OG 2.82Å; L94-S97 CarbonylContact O-C 3.59Å; L94-S97 WeakPolarHBondContact O-CA 3.41Å; L94-S97 WeakPolarHBondContact O-CB 3.49Å; L94-S97 PolarHBondContact O-N 2.82Å; L94-S97 VanDerWaalsContact O-N 3.08Å; L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 2.77Å; S97-L100 PolarHBondContact O-N 3.46Å; S97-A101 PolarHBondContact O-N 2.83Å; S97-A101 VanDerWaalsContact O-N 3.1Å
98	S	76.2	Confident	67.5	Low	42 Å²	42	79 Å²	79	29%	0.294	43%	0.425	S	S	.	.	H	α-helix	trans	-65.8	-39.5	175.9	-60.3	0	0	0	0	112.3	L94 L95 A101 V102	L94-S98 PolarHBondContact O-N 3.18Å; L94-S98 PolarHBondContact O-OG 2.98Å; L94-S98 VanDerWaalsContact O-OG 3.12Å; L95-S98 PolarHBondContact O-N 2.84Å; S98-A101 PolarHBondContact O-N 2.81Å; S98-V102 VanDerWaalsContact O-CG2 3.29Å; S98-V102 WeakPolarHBondContact O-CG2 3.01Å; S98-V102 PolarHBondContact O-N 3.43Å
99	L	77.1	Confident	65.6	Low	0 Å²	0	82.6 Å²	82.6	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-68.3	-39.2	177.3	-71.6	168.8	0	0	0	112.5	I18 L19 W24 M67 L72 L95 R96 A101 V102 Q103	I18-L99 HydrophobicContact CG2-CD1 3.8Å; I18-L99 HydrophobicContact CG2-CD2 3.88Å; I18-L99 HydrophobicContact CG2-CG 4.38Å; I18-L99 WeakPolarHBondContact O-CD2 3.45Å; L19-L99 HydrophobicContact CD2-CD2 3.99Å; L19-L99 HydrophobicContact CD2-CG 4.24Å; W24-L99 HydrophobicContact CZ2-CD2 3.91Å; M67-L99 HydrophobicContact SD-CD1 3.6Å; M67-L99 VanDerWaalsContact SD-CD1 3.6Å; L72-L99 HydrophobicContact CD2-CB 3.75Å; L72-L99 HydrophobicContact CD2-CD1 3.74Å; L72-L99 HydrophobicContact CD2-CG 4.39Å; L95-L99 HydrophobicContact CD1-CD1 4.47Å; L95-L99 HydrophobicContact CG-CD1 4.13Å; L95-L99 WeakPolarHBondContact O-CB 3.4Å; L95-L99 VanDerWaalsContact O-CG 3.28Å; L95-L99 WeakPolarHBondContact O-CG 3.44Å; L95-L99 PolarHBondContact O-N 3.5Å; R96-L99 PolarHBondContact O-N 2.88Å; L99-A101 VanDerWaalsContact C-N 3.31Å; L99-A101 PolarHBondContact O-N 2.76Å; L99-V102 PolarHBondContact O-N 2.95Å; L99-Q103 WeakPolarHBondContact O-CB 3.37Å; L99-Q103 VanDerWaalsContact O-CG 3.29Å; L99-Q103 WeakPolarHBondContact O-CG 3.18Å; L99-Q103 PolarHBondContact O-N 2.92Å
100	L	78.4	Confident	63.9	Low	94 Å²	94	80.5 Å²	80.5	49%	0.492	43%	0.432	S	S	.	.	H	α-helix	trans	-60.9	-41	172.2	-71.6	169.2	0	0	0	111.7	L72 R96 S97 Q103 G104	L72-L100 HydrophobicContact CD1-CD1 4.12Å; L72-L100 HydrophobicContact CD1-CD2 3.74Å; L72-L100 HydrophobicContact CD1-CG 3.65Å; R96-L100 VanDerWaalsContact O-CG 3.3Å; R96-L100 WeakPolarHBondContact O-CG 3.43Å; R96-L100 PolarHBondContact O-N 3.36Å; S97-L100 PolarHBondContact O-N 3.46Å; L100-Q103 PolarHBondContact O-N 3.39Å; L100-G104 PolarHBondContact O-N 3.36Å
101	A	74.6	Confident	62	Low	55 Å²	55	84.2 Å²	84.2	46%	0.455	46%	0.46	S	S	.	.	H	α-helix	trans	-65.4	-40.7	176.1	0	0	0	0	0	112.4	S97 S98 L99 G104 Q105	S97-A101 PolarHBondContact O-N 2.83Å; S97-A101 VanDerWaalsContact O-N 3.1Å; S98-A101 PolarHBondContact O-N 2.81Å; L99-A101 VanDerWaalsContact C-N 3.31Å; L99-A101 PolarHBondContact O-N 2.76Å; A101-G104 PolarHBondContact O-N 2.79Å; A101-Q105 PolarHBondContact O-N 2.6Å
102	V	71.4	Confident	60.1	Low	32 Å²	32	93.3 Å²	93.3	19%	0.194	49%	0.492	C	S	.	.	H	α-helix	trans	-67.6	-35.3	176.1	170	0	0	0	0	111.9	P21 W24 S98 L99	P21-V102 HydrophobicContact CG-CG1 3.29Å; W24-V102 HydrophobicContact CH2-CG1 4.49Å; W24-V102 HydrophobicContact CZ2-CG1 4.38Å; S98-V102 VanDerWaalsContact O-CG2 3.29Å; S98-V102 WeakPolarHBondContact O-CG2 3.01Å; S98-V102 PolarHBondContact O-N 3.43Å; L99-V102 PolarHBondContact O-N 2.95Å
103	Q	68.5	Low	58	Low	63 Å²	63	104.9 Å²	104.9	29%	0.294	54%	0.535	S	S	.	.	H	α-helix	trans	-67	-36.7	172	-72.4	177.1	-1.1	0	0	111.8	W24 V69 R70 L99 L100	W24-Q103 HydrophobicContact CH2-CG 3.76Å; W24-Q103 HydrophobicContact CZ3-CG 4.18Å; V69-Q103 PolarHBondContact O-NE2 2.85Å; R70-Q103 PolarHBondContact O-NE2 3.24Å; R70-Q103 VanDerWaalsContact O-NE2 3.16Å; L99-Q103 WeakPolarHBondContact O-CB 3.37Å; L99-Q103 VanDerWaalsContact O-CG 3.29Å; L99-Q103 WeakPolarHBondContact O-CG 3.18Å; L99-Q103 PolarHBondContact O-N 2.92Å; L100-Q103 PolarHBondContact O-N 3.39Å
104	G	57.3	Low	55.6	Low	39 Å²	39	102.3 Å²	102.3	40%	0.402	55%	0.547	S	S	.	.	H	α-helix	trans	-69.6	-34.3	177	0	0	0	0	0	114.5	L100 A101 K106 Q107	L100-G104 PolarHBondContact O-N 3.36Å; A101-G104 PolarHBondContact O-N 2.79Å; G104-K106 PolarHBondContact O-N 3.29Å; G104-Q107 PolarHBondContact O-N 3.2Å; G104-Q107 VanDerWaalsContact O-N 3.16Å
105	Q	54	Low	53.6	Low	147 Å²	147	108.7 Å²	108.7	69%	0.687	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-15.2	179.5	-77.2	-174	-5.1	0	0	114.8	A101 Q107	A101-Q105 PolarHBondContact O-N 2.6Å; Q105-Q107 PolarHBondContact O-N 2.93Å
106	K	46.1	Very low	51.2	Low	162 Å²	162	116.4 Å²	116.4	70%	0.704	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-10.8	173.2	-99.2	-176.1	176.8	179.1	0	113.6	G104	G104-K106 PolarHBondContact O-N 3.29Å
107	Q	39.6	Very low	48.7	Very low	171 Å²	171	121.9 Å²	121.9	80%	0.799	63%	0.633	S	S	*	*	S	Bend	trans	-95.2	-16.3	179.3	-87.1	175.5	-27	0	0	114.6	G104 Q105	G104-Q107 PolarHBondContact O-N 3.2Å; G104-Q107 VanDerWaalsContact O-N 3.16Å; Q105-Q107 PolarHBondContact O-N 2.93Å
108	D	35.3	Very low	46.6	Very low	137 Å²	137	130.2 Å²	130.2	73%	0.733	65%	0.654	S	S	*	*			trans	-126.7	97.2	177.7	-84.7	-35.5	0	0	0	111.5
109	Q	26.3	Very low	44.2	Very low	193 Å²	193	133.9 Å²	133.9	90%	0.902	68%	0.68	S	S	*	*			trans	-121.7	114.3	149.1	-79.9	-159.6	10.8	0	0	109.5
110	P	34.8	Very low	41.9	Very low	118 Å²	118	140 Å²	140	77%	0.766	72%	0.718	S	S	*	*			trans	-108.1	161.2	147.2	30.5	-18.4	0	0	0	111.2
111	A	29.7	Very low	39.4	Very low	104 Å²	104	140.1 Å²	140.1	86%	0.86	73%	0.733	S	S	*	*			trans	-59.5	162.5	-171.9	0	0	0	0	0	115.8
112	R	33.2	Very low	37.2	Very low	231 Å²	231	142.4 Å²	142.4	87%	0.872	75%	0.752	S	S	*	*			trans	-47	146.9	179.4	-86.9	177.1	166	179	-2.7	117.2
113	R	30.9	Very low	35.2	Very low	244 Å²	244	144.2 Å²	144.2	92%	0.921	78%	0.777	S	S	*	*			trans	89.2	124.5	146.7	-78.7	-176.1	-176.3	-141.6	2.4	119.3
114	G	27.3	Very low	33.2	Very low	81 Å²	81	150.3 Å²	150.3	84%	0.835	81%	0.805	S	S	*	*			trans	163.2	95.2	155	0	0	0	0	0	113.9
115	R	33.3	Very low	32.1	Very low	245 Å²	245	156.4 Å²	156.4	93%	0.925	83%	0.829	S	S	*	*			trans	-79.3	134.5	172	-177.2	-169.8	-145.4	-161.2	5.9	109.4
116	M	26.3	Very low	31	Very low	170 Å²	170	155.6 Å²	155.6	84%	0.837	83%	0.833	S	S	*	*			trans	176.6	110.4	148.7	-97.1	169.3	86.7	0	0	108.7
117	L	27.5	Very low	30.2	Very low	165 Å²	165	154 Å²	154	86%	0.864	84%	0.837	S	S	*	*				73.9	128.7	93.4	-90.9	161.4	0	0	0	115.6
118	R	31	Very low	29.8	Very low	241 Å²	241	151 Å²	151	91%	0.909	83%	0.832	S	S	*	*			trans	-53.3	150.8	-174.8	-67.2	173	173.4	175.6	-3.6	114.4
119	S	25.2	Very low	29.5	Very low	119 Å²	119	150 Å²	150	83%	0.832	83%	0.833	S	S	*	*				-162.5	152.7	124.4	-156.9	0	0	0	0	112.8
120	T	28.4	Very low	29.5	Very low	128 Å²	128	149.9 Å²	149.9	79%	0.785	83%	0.832	S	S	*	*			trans	-79	148.8	-176.7	46.5	0	0	0	0	113.7
121	A	27	Very low	29.3	Very low	98 Å²	98	156 Å²	156	81%	0.81	84%	0.84	S	S	*	*				159	139.2	123.2	0	0	0	0	0	112.8
122	A	28.4	Very low	29.3	Very low	103 Å²	103	156.5 Å²	156.5	85%	0.851	83%	0.833	S	S	*	*			trans	36.7	125.3	150.9	0	0	0	0	0	118.9
123	G	28.9	Very low	29.4	Very low	70 Å²	70	149.7 Å²	149.7	72%	0.722	82%	0.819	S	S	*	*			cis	121	113.1	31.9	0	0	0	0	0	106.4
124	E	27.4	Very low	29.8	Very low	191 Å²	191	147.2 Å²	147.2	89%	0.893	82%	0.817	S	S	*	*			trans	-175.1	143.2	155.4	-106.7	171.4	-174.1	0	0	110.6
125	D	34.6	Very low	30.4	Very low	167 Å²	167	145.2 Å²	145.2	89%	0.893	80%	0.797	S	S	*	*			trans	-62.5	123.5	-164.7	-70.5	-62.7	0	0	0	114.7
126	V	29	Very low	30.6	Very low	130 Å²	130	139.5 Å²	139.5	79%	0.788	78%	0.781	S	S	*	*			trans	-124.2	114.3	165.8	177.6	0	0	0	0	108.8
127	V	30.9	Very low	31.6	Very low	129 Å²	129	135.8 Å²	135.8	78%	0.782	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-46.9	127.9	168.4	177.1	0	0	0	0	109.7
128	P	30.2	Very low	32.6	Very low	107 Å²	107	132.4 Å²	132.4	70%	0.695	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-70.6	129.7	-176.9	27.6	-31.3	0	0	0	109.9	Q130	P128-Q130 PolarHBondContact O-N 3.18Å
129	P	29.1	Very low	33.3	Very low	116 Å²	116	126.2 Å²	126.2	75%	0.753	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-67.7	128.3	166.9	27.7	-29.2	0	0	0	107.9	R131	P129-R131 PolarHBondContact O-N 3.08Å; P129-R131 VanDerWaalsContact O-N 3.12Å
130	Q	27.4	Very low	34.6	Very low	190 Å²	190	126 Å²	126	89%	0.888	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-49.6	119.4	173.4	-71.2	-180	-15	0	0	109.8	P128 T132	P128-Q130 PolarHBondContact O-N 3.18Å; Q130-T132 PolarHBondContact O-N 2.91Å
131	R	30.3	Very low	35.9	Very low	246 Å²	246	122.7 Å²	122.7	93%	0.928	70%	0.701	S	S	*	*			trans	-62.6	103.2	173	-73	177.5	173.5	169.6	-1.9	109.1	P129	P129-R131 PolarHBondContact O-N 3.08Å; P129-R131 VanDerWaalsContact O-N 3.12Å
132	T	29.4	Very low	36.8	Very low	115 Å²	115	118.6 Å²	118.6	71%	0.706	67%	0.667	S	S	*	*			trans	-65	131.6	159.8	48	0	0	0	0	109.1	Q130 Q134	Q130-T132 PolarHBondContact O-N 2.91Å; T132-Q134 PolarHBondContact O-N 3.36Å
133	P	33.9	Very low	37.8	Very low	89 Å²	89	117.3 Å²	117.3	58%	0.578	65%	0.645	S	S	*	*			trans	-72.7	102.7	-176.8	28.3	-32.5	0	0	0	111	G135 Q136	P133-G135 PolarHBondContact O-N 3.25Å; P133-Q136 HydrophobicContact CG-CG 4.41Å
134	Q	41.2	Very low	39.1	Very low	191 Å²	191	120.4 Å²	120.4	89%	0.893	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	22.1	177.1	-85.8	176.8	-26.5	0	0	115.7	T132	T132-Q134 PolarHBondContact O-N 3.36Å
135	G	39.7	Very low	40.2	Very low	40 Å²	40	116.9 Å²	116.9	41%	0.412	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-121.2	-8.3	-178.4	0	0	0	0	0	116	P133	P133-G135 PolarHBondContact O-N 3.25Å
136	Q	36.7	Very low	40.9	Very low	124 Å²	124	110.5 Å²	110.5	58%	0.579	58%	0.578	S	S	*	*	H	α-helix	trans	-74.8	-33.9	-172.5	-74.6	-174.6	-19.6	0	0	116.4	P133 Q138 L140	P133-Q136 HydrophobicContact CG-CG 4.41Å; Q136-Q138 PolarHBondContact O-N 3.17Å; Q136-L140 WeakPolarHBondContact O-CD1 3.39Å; Q136-L140 WeakPolarHBondContact O-CG 3.21Å; Q136-L140 PolarHBondContact O-N 3.18Å
137	P	48	Very low	42.2	Very low	93 Å²	93	113.4 Å²	113.4	60%	0.604	58%	0.575	S	S	*	*	H	α-helix	trans	-67.4	-33.4	-175.8	-20.3	31.5	0	0	0	114.4	T141	P137-T141 PolarHBondContact O-N 3.25Å; P137-T141 PolarHBondContact O-OG1 2.93Å
138	Q	48.4	Very low	43.5	Very low	94 Å²	94	112 Å²	112	44%	0.439	56%	0.56	S	S	.	*	H	α-helix	trans	-76.2	-38.2	-178.7	-68.8	168.7	-13	0	0	111.9	Q136 A142	Q136-Q138 PolarHBondContact O-N 3.17Å; Q138-A142 PolarHBondContact O-N 3.21Å
139	M	46.1	Very low	44.8	Very low	110 Å²	110	109.8 Å²	109.8	54%	0.542	54%	0.54	S	S	.	.	H	α-helix	trans	-68.1	-39.3	177	-106.9	172.8	63.4	0	0	112.8	T141 A142 L143	M139-T141 VanDerWaalsContact C-N 3.34Å; M139-T141 PolarHBondContact O-N 3.46Å; M139-A142 PolarHBondContact O-N 3.18Å; M139-L143 WeakPolarHBondContact O-CB 3.26Å; M139-L143 WeakPolarHBondContact O-CD1 3.38Å; M139-L143 WeakPolarHBondContact O-CG 3.43Å; M139-L143 PolarHBondContact O-N 3.44Å
140	L	52.4	Low	46.2	Very low	116 Å²	116	108.2 Å²	108.2	61%	0.607	53%	0.525	S	S	*	.	H	α-helix	trans	-63.3	-40.6	178.1	-78.4	163.1	0	0	0	112.1	Q136 L143 W144	Q136-L140 WeakPolarHBondContact O-CD1 3.39Å; Q136-L140 WeakPolarHBondContact O-CG 3.21Å; Q136-L140 PolarHBondContact O-N 3.18Å; L140-L143 PolarHBondContact O-N 2.63Å; L140-W144 WeakPolarHBondContact O-CB 3.22Å; L140-W144 PolarHBondContact O-N 2.86Å
141	T	53.9	Low	47.9	Very low	58 Å²	58	103.4 Å²	103.4	36%	0.356	50%	0.504	S	S	.	.	H	α-helix	trans	-67.2	-44.3	178.2	-54.7	0	0	0	0	111.2	P137 M139 L143 W144 Y145	P137-T141 PolarHBondContact O-N 3.25Å; P137-T141 PolarHBondContact O-OG1 2.93Å; M139-T141 VanDerWaalsContact C-N 3.34Å; M139-T141 PolarHBondContact O-N 3.46Å; T141-L143 PolarHBondContact O-N 3.11Å; T141-W144 WeakPolarHBondContact O-CB 3.29Å; T141-W144 PolarHBondContact O-N 3.13Å; T141-Y145 HydrophobicContact CG2-CD2 4Å; T141-Y145 HydrophobicContact CG2-CE2 3.69Å; T141-Y145 WeakPolarHBondContact O-CD2 3.41Å; T141-Y145 PolarHBondContact O-N 2.98Å
142	A	45.9	Very low	49.4	Very low	11 Å²	11	93.4 Å²	93.4	9%	0.091	48%	0.475	C	S	.	.	H	α-helix	trans	-69.5	-32	177.8	0	0	0	0	0	112.7	L84 Q138 M139 R146	L84-A142 HydrophobicContact CD2-CB 3.23Å; Q138-A142 PolarHBondContact O-N 3.21Å; M139-A142 PolarHBondContact O-N 3.18Å; A142-R146 WeakPolarHBondContact O-CB 3.3Å; A142-R146 PolarHBondContact O-N 2.79Å; A142-R146 VanDerWaalsContact O-N 3.08Å
143	L	50.2	Low	51	Low	76 Å²	76	93 Å²	93	40%	0.398	46%	0.463	S	S	.	.	H	α-helix	trans	-65.8	-37.3	169.4	-76.2	166.8	0	0	0	112.5	L84 M139 L140 T141 R146 R147	L84-L143 HydrophobicContact CD1-CD2 3.55Å; L84-L143 HydrophobicContact CD1-CG 4.04Å; M139-L143 WeakPolarHBondContact O-CB 3.26Å; M139-L143 WeakPolarHBondContact O-CD1 3.38Å; M139-L143 WeakPolarHBondContact O-CG 3.43Å; M139-L143 PolarHBondContact O-N 3.44Å; L140-L143 PolarHBondContact O-N 2.63Å; T141-L143 PolarHBondContact O-N 3.11Å; L143-R146 PolarHBondContact O-N 2.87Å; L143-R147 PolarHBondContact O-N 2.86Å
144	W	56.8	Low	52.7	Low	135 Å²	135	92.8 Å²	92.8	51%	0.511	46%	0.46	S	S	.	.	H	α-helix	trans	-64.4	-48.1	176.2	-177.1	92.1	0	0	0	111.8	L140 T141 R146 R147 Q148	L140-W144 WeakPolarHBondContact O-CB 3.22Å; L140-W144 PolarHBondContact O-N 2.86Å; T141-W144 WeakPolarHBondContact O-CB 3.29Å; T141-W144 PolarHBondContact O-N 3.13Å; W144-R146 VanDerWaalsContact C-N 3.32Å; W144-R146 PolarHBondContact O-N 3.44Å; W144-R147 PolarHBondContact O-N 2.91Å; W144-Q148 HydrophobicContact CD2-CG 4.43Å; W144-Q148 HydrophobicContact CE3-CG 4.49Å; W144-Q148 HydrophobicContact CH2-CG 4.38Å; W144-Q148 HydrophobicContact CZ2-CG 4.31Å; W144-Q148 HydrophobicContact CZ3-CG 4.47Å; W144-Q148 PolarHBondContact O-N 2.84Å; W144-Q148 VanDerWaalsContact O-N 3.09Å
145	Y	50.8	Low	53.9	Low	118 Å²	118	88.9 Å²	88.9	46%	0.463	45%	0.445	S	S	.	.	H	α-helix	trans	-61	-39	174.9	-79.5	-69.4	0	0	0	112.7	T141 R147 Q148 H149	T141-Y145 HydrophobicContact CG2-CD2 4Å; T141-Y145 HydrophobicContact CG2-CE2 3.69Å; T141-Y145 WeakPolarHBondContact O-CD2 3.41Å; T141-Y145 PolarHBondContact O-N 2.98Å; Y145-R147 PolarHBondContact O-N 2.76Å; Y145-Q148 PolarHBondContact O-N 3.35Å; Y145-H149 WeakPolarHBondContact O-CB 3.48Å; Y145-H149 PolarHBondContact O-N 2.9Å
146	R	48.6	Very low	55.3	Low	33 Å²	33	93.4 Å²	93.4	13%	0.125	45%	0.45	C	S	.	.	H	α-helix	trans	-63.1	-40.6	175.5	-175.2	168.1	180	-121.7	-10.7	112.4	M1 D2 D81 A142 L143 W144 H149 L150	M1-R146 PolarHBondContact O-NH2 3.24Å; D2-R146 IonicContact OD1-CZ 3.84Å; D2-R146 IonicContact OD1-NH1 3.24Å; D2-R146 PolarHBondContact OD1-NH1 2.91Å; D2-R146 IonicContact OD1-NH2 2.74Å; D2-R146 PolarHBondContact OD1-NH2 2.8Å; D81-R146 IonicContact OD2-NE 3.03Å; D81-R146 PolarHBondContact OD2-NE 2.91Å; A142-R146 WeakPolarHBondContact O-CB 3.3Å; A142-R146 PolarHBondContact O-N 2.79Å; A142-R146 VanDerWaalsContact O-N 3.08Å; L143-R146 PolarHBondContact O-N 2.87Å; W144-R146 VanDerWaalsContact C-N 3.32Å; W144-R146 PolarHBondContact O-N 3.44Å; R146-H149 PolarHBondContact O-N 2.91Å; R146-L150 HydrophobicContact CG-CD1 4.11Å; R146-L150 WeakPolarHBondContact O-CB 3.15Å; R146-L150 VanDerWaalsContact O-CG 3.28Å; R146-L150 WeakPolarHBondContact O-CG 3.19Å; R146-L150 PolarHBondContact O-N 3.42Å
147	R	56.6	Low	56.9	Low	190 Å²	190	91.8 Å²	91.8	72%	0.717	45%	0.445	S	S	*	.	H	α-helix	trans	-64.5	-42.1	176.7	-164.3	175	-178.7	-178.1	-0.3	111.6	L143 W144 Y145 L151	L143-R147 PolarHBondContact O-N 2.86Å; W144-R147 PolarHBondContact O-N 2.91Å; Y145-R147 PolarHBondContact O-N 2.76Å; R147-L151 WeakPolarHBondContact O-CB 3.45Å; R147-L151 WeakPolarHBondContact O-CD1 3.45Å; R147-L151 VanDerWaalsContact O-CG 3.3Å; R147-L151 WeakPolarHBondContact O-CG 3.38Å; R147-L151 PolarHBondContact O-N 2.99Å; R147-L151 VanDerWaalsContact O-N 3.13Å
148	Q	58.8	Low	58.2	Low	100 Å²	100	96 Å²	96	47%	0.467	45%	0.449	S	S	.	.	H	α-helix	trans	-64.5	-44.4	174.6	-71.5	-67.1	-14.7	0	0	112.3	W144 Y145 L151 A152	W144-Q148 HydrophobicContact CD2-CG 4.43Å; W144-Q148 HydrophobicContact CE3-CG 4.49Å; W144-Q148 HydrophobicContact CH2-CG 4.38Å; W144-Q148 HydrophobicContact CZ2-CG 4.31Å; W144-Q148 HydrophobicContact CZ3-CG 4.47Å; W144-Q148 PolarHBondContact O-N 2.84Å; W144-Q148 VanDerWaalsContact O-N 3.09Å; Y145-Q148 PolarHBondContact O-N 3.35Å; Q148-L151 PolarHBondContact O-N 3.41Å; Q148-A152 WeakPolarHBondContact O-CB 3.43Å; Q148-A152 PolarHBondContact O-N 3.43Å
149	H	57.3	Low	58.9	Low	61 Å²	61	95.8 Å²	95.8	28%	0.282	45%	0.446	S	S	.	.	H	α-helix	trans	-64.6	-43	178.9	-175.2	81	0	0	0	112.5	Y145 R146 A152 K153	Y145-H149 WeakPolarHBondContact O-CB 3.48Å; Y145-H149 PolarHBondContact O-N 2.9Å; R146-H149 PolarHBondContact O-N 2.91Å; H149-A152 PolarHBondContact O-N 2.98Å; H149-K153 WeakPolarHBondContact O-CB 3.44Å; H149-K153 PolarHBondContact O-N 3.44Å
150	L	58.1	Low	59.8	Low	82 Å²	82	95.5 Å²	95.5	43%	0.429	44%	0.444	S	S	.	.	H	α-helix	trans	-63.1	-42.3	177.4	-73.2	171.3	0	0	0	111.7	R146 K153 T154	R146-L150 HydrophobicContact CG-CD1 4.11Å; R146-L150 WeakPolarHBondContact O-CB 3.15Å; R146-L150 VanDerWaalsContact O-CG 3.28Å; R146-L150 WeakPolarHBondContact O-CG 3.19Å; R146-L150 PolarHBondContact O-N 3.42Å; L150-K153 PolarHBondContact O-N 3.37Å; L150-T154 WeakPolarHBondContact O-CG2 3.35Å; L150-T154 PolarHBondContact O-N 2.87Å; L150-T154 PolarHBondContact O-OG1 2.93Å; L150-T154 VanDerWaalsContact O-OG1 3.07Å
151	L	63.4	Low	60.5	Low	89 Å²	89	97.8 Å²	97.8	47%	0.466	45%	0.449	S	S	.	.	H	α-helix	trans	-62	-44	173.5	-74.8	167.6	0	0	0	111.7	R147 Q148 K153 T154 L155	R147-L151 WeakPolarHBondContact O-CB 3.45Å; R147-L151 WeakPolarHBondContact O-CD1 3.45Å; R147-L151 VanDerWaalsContact O-CG 3.3Å; R147-L151 WeakPolarHBondContact O-CG 3.38Å; R147-L151 PolarHBondContact O-N 2.99Å; R147-L151 VanDerWaalsContact O-N 3.13Å; Q148-L151 PolarHBondContact O-N 3.41Å; L151-K153 VanDerWaalsContact C-N 3.28Å; L151-K153 PolarHBondContact O-N 3.18Å; L151-T154 PolarHBondContact O-OG1 3.22Å; L151-L155 VanDerWaalsContact O-CB 3.31Å; L151-L155 WeakPolarHBondContact O-CB 3.31Å; L151-L155 WeakPolarHBondContact O-CD1 3.21Å; L151-L155 WeakPolarHBondContact O-CG 3.28Å; L151-L155 PolarHBondContact O-N 3.3Å
152	A	62.2	Low	61.4	Low	37 Å²	37	96.3 Å²	96.3	31%	0.306	44%	0.441	S	S	.	.	H	α-helix	trans	-66.3	-30.1	176.9	0	0	0	0	0	112.8	Q148 H149 R156	Q148-A152 WeakPolarHBondContact O-CB 3.43Å; Q148-A152 PolarHBondContact O-N 3.43Å; H149-A152 PolarHBondContact O-N 2.98Å; A152-R156 WeakPolarHBondContact O-CB 3.44Å; A152-R156 WeakPolarHBondContact O-CG 3.45Å; A152-R156 PolarHBondContact O-N 3.04Å; A152-R156 VanDerWaalsContact O-N 3.14Å; A152-R156 PolarHBondContact O-NE 2.85Å
153	K	62.9	Low	62.4	Low	106 Å²	106	100.5 Å²	100.5	46%	0.461	47%	0.469	S	S	.	.	H	α-helix	trans	-77.3	-42.7	178.1	-171.6	176.7	-179.3	178.2	0	111.8	H149 L150 L151 R156 L157	H149-K153 WeakPolarHBondContact O-CB 3.44Å; H149-K153 PolarHBondContact O-N 3.44Å; L150-K153 PolarHBondContact O-N 3.37Å; L151-K153 VanDerWaalsContact C-N 3.28Å; L151-K153 PolarHBondContact O-N 3.18Å; K153-R156 PolarHBondContact O-N 3.25Å; K153-L157 HydrophobicContact CG-CD1 4.19Å; K153-L157 WeakPolarHBondContact O-CB 3.39Å; K153-L157 WeakPolarHBondContact O-CG 3.43Å; K153-L157 PolarHBondContact O-N 3.48Å
154	T	69.4	Low	63	Low	84 Å²	84	106.9 Å²	106.9	52%	0.515	49%	0.488	S	S	.	.	H	α-helix	trans	-65.6	-41.5	175.6	49.8	0	0	0	0	111.3	L150 L151 L157 W158	L150-T154 WeakPolarHBondContact O-CG2 3.35Å; L150-T154 PolarHBondContact O-N 2.87Å; L150-T154 PolarHBondContact O-OG1 2.93Å; L150-T154 VanDerWaalsContact O-OG1 3.07Å; L151-T154 PolarHBondContact O-OG1 3.22Å; T154-L157 PolarHBondContact O-N 3.29Å; T154-W158 WeakPolarHBondContact O-CB 3.18Å; T154-W158 PolarHBondContact O-N 3.35Å
155	L	66.4	Low	63.7	Low	109 Å²	109	100.7 Å²	100.7	57%	0.571	47%	0.466	S	S	*	.	H	α-helix	trans	-63.2	-41.2	174.9	-73.1	169.8	0	0	0	112.2	L151 F159	L151-L155 VanDerWaalsContact O-CB 3.31Å; L151-L155 WeakPolarHBondContact O-CB 3.31Å; L151-L155 WeakPolarHBondContact O-CD1 3.21Å; L151-L155 WeakPolarHBondContact O-CG 3.28Å; L151-L155 PolarHBondContact O-N 3.3Å; L155-F159 WeakPolarHBondContact O-CB 3.47Å; L155-F159 PolarHBondContact O-N 2.96Å
156	R	67.5	Low	64.6	Low	136 Å²	136	102.7 Å²	102.7	51%	0.513	47%	0.473	S	S	.	.	H	α-helix	trans	-64.1	-48	175.1	-84.6	-178.6	-79.6	-148.5	-0.3	112.9	A152 K153 W158 F159 E160	A152-R156 WeakPolarHBondContact O-CB 3.44Å; A152-R156 WeakPolarHBondContact O-CG 3.45Å; A152-R156 PolarHBondContact O-N 3.04Å; A152-R156 VanDerWaalsContact O-N 3.14Å; A152-R156 PolarHBondContact O-NE 2.85Å; K153-R156 PolarHBondContact O-N 3.25Å; R156-W158 VanDerWaalsContact C-N 3.32Å; R156-W158 PolarHBondContact O-N 3.3Å; R156-F159 PolarHBondContact O-N 2.94Å; R156-E160 WeakPolarHBondContact O-CB 3.12Å; R156-E160 WeakPolarHBondContact O-CG 3.38Å; R156-E160 PolarHBondContact O-N 3.44Å
157	L	71.4	Confident	65.8	Low	90 Å²	90	103.8 Å²	103.8	47%	0.471	49%	0.489	S	S	.	.	H	α-helix	trans	-65.4	-35.8	178.8	-72.6	169.8	0	0	0	112.5	K153 T154 K161	K153-L157 HydrophobicContact CG-CD1 4.19Å; K153-L157 WeakPolarHBondContact O-CB 3.39Å; K153-L157 WeakPolarHBondContact O-CG 3.43Å; K153-L157 PolarHBondContact O-N 3.48Å; T154-L157 PolarHBondContact O-N 3.29Å; L157-K161 WeakPolarHBondContact O-CG 3.46Å; L157-K161 PolarHBondContact O-N 2.83Å
158	W	75.4	Confident	66.6	Low	182 Å²	182	99.9 Å²	99.9	69%	0.689	48%	0.479	S	S	*	.	H	α-helix	trans	-66.7	-44	172.8	179	84.7	0	0	0	111.2	T154 R156 K161 S162	T154-W158 WeakPolarHBondContact O-CB 3.18Å; T154-W158 PolarHBondContact O-N 3.35Å; R156-W158 VanDerWaalsContact C-N 3.32Å; R156-W158 PolarHBondContact O-N 3.3Å; W158-K161 PolarHBondContact O-N 3.43Å; W158-S162 PolarHBondContact O-N 2.98Å; W158-S162 VanDerWaalsContact O-N 3.11Å
159	F	63.7	Low	67.3	Low	89 Å²	89	99.2 Å²	99.2	39%	0.39	48%	0.478	S	S	.	.	H	α-helix	trans	-63.8	-45.6	179	-166.2	-101.2	0	0	0	111.8	L155 R156 K161 S162 G165	L155-F159 WeakPolarHBondContact O-CB 3.47Å; L155-F159 PolarHBondContact O-N 2.96Å; R156-F159 PolarHBondContact O-N 2.94Å; F159-K161 VanDerWaalsContact C-N 3.29Å; F159-K161 PolarHBondContact O-N 3.34Å; F159-S162 WeakPolarHBondContact O-CB 3.47Å; F159-S162 PolarHBondContact O-N 2.92Å; F159-S162 VanDerWaalsContact O-N 3.14Å; F159-S162 PolarHBondContact O-OG 3.39Å; F159-G165 WeakPolarHBondContact O-CA 3.49Å
160	E	64.2	Low	68.2	Low	104 Å²	104	101.2 Å²	101.2	49%	0.486	49%	0.487	S	S	.	.	H	α-helix	trans	-62.5	-30.6	177.2	-75.7	172.7	-176.2	0	0	113.4	R156 R166	R156-E160 WeakPolarHBondContact O-CB 3.12Å; R156-E160 WeakPolarHBondContact O-CG 3.38Å; R156-E160 PolarHBondContact O-N 3.44Å; E160-R166 WeakPolarHBondContact O-CG 3.46Å
161	K	66.9	Low	69.2	Low	164 Å²	164	102.6 Å²	102.6	71%	0.713	49%	0.492	S	S	*	.	H	α-helix	trans	-81.2	-23	175.8	-74.3	-176	177.2	-173.7	0	113.5	L157 W158 F159 R166	L157-K161 WeakPolarHBondContact O-CG 3.46Å; L157-K161 PolarHBondContact O-N 2.83Å; W158-K161 PolarHBondContact O-N 3.43Å; F159-K161 VanDerWaalsContact C-N 3.29Å; F159-K161 PolarHBondContact O-N 3.34Å; K161-R166 PolarHBondContact O-NE 3.44Å; K161-R166 PolarHBondContact O-NH2 3.07Å
162	S	71.9	Confident	69.9	Low	27 Å²	27	106.1 Å²	106.1	19%	0.189	50%	0.499	C	S	.	.	S	Bend	trans	-65.2	146.9	178.1	78.8	0	0	0	0	111.6	W158 F159 R164 G165 R166	W158-S162 PolarHBondContact O-N 2.98Å; W158-S162 VanDerWaalsContact O-N 3.11Å; F159-S162 WeakPolarHBondContact O-CB 3.47Å; F159-S162 PolarHBondContact O-N 2.92Å; F159-S162 VanDerWaalsContact O-N 3.14Å; F159-S162 PolarHBondContact O-OG 3.39Å; S162-R164 PolarHBondContact O-N 2.96Å; S162-G165 PolarHBondContact O-N 2.8Å; S162-G165 PolarHBondContact OG-N 3.37Å; S162-R166 PolarHBondContact O-N 2.87Å; S162-R166 VanDerWaalsContact O-N 3.12Å
163	S	67.3	Low	70.8	Confident	99 Å²	99	112.5 Å²	112.5	69%	0.692	52%	0.515	S	S	*	.	H	α-helix	trans	-57.7	-36.9	176.3	49.9	0	0	0	0	112	A167	S163-A167 PolarHBondContact O-N 3.37Å
164	R	64.4	Low	71.8	Confident	210 Å²	210	115.2 Å²	115.2	79%	0.792	52%	0.522	S	S	*	.	H	α-helix	trans	-66.6	-43	175.4	-102.8	179.4	156.9	-174.3	-5.9	113.5	S162 A167 Q168	S162-R164 PolarHBondContact O-N 2.96Å; R164-A167 PolarHBondContact O-N 2.96Å; R164-Q168 PolarHBondContact O-N 2.93Å; R164-Q168 VanDerWaalsContact O-N 3.09Å
165	G	69.7	Low	72.4	Confident	4 Å²	4	116 Å²	116	4%	0.041	52%	0.52	C	S	.	.	H	α-helix	trans	-68.7	-35.5	179.1	0	0	0	0	0	112.8	F159 S162 Q168 L169	F159-G165 WeakPolarHBondContact O-CA 3.49Å; S162-G165 PolarHBondContact O-N 2.8Å; S162-G165 PolarHBondContact OG-N 3.37Å; G165-Q168 PolarHBondContact O-N 3.39Å; G165-L169 WeakPolarHBondContact O-CB 3.33Å; G165-L169 PolarHBondContact O-N 3.48Å
166	R	71.4	Confident	73.3	Confident	161 Å²	161	116.3 Å²	116.3	61%	0.608	52%	0.518	S	S	*	.	H	α-helix	trans	-62.9	-46.1	172.8	-75.9	-173.8	-92	-174.6	-6.5	112.4	E160 K161 S162 Q168 L169 E170	E160-R166 WeakPolarHBondContact O-CG 3.46Å; K161-R166 PolarHBondContact O-NE 3.44Å; K161-R166 PolarHBondContact O-NH2 3.07Å; S162-R166 PolarHBondContact O-N 2.87Å; S162-R166 VanDerWaalsContact O-N 3.12Å; R166-Q168 VanDerWaalsContact C-N 3.29Å; R166-Q168 PolarHBondContact O-N 3.18Å; R166-L169 PolarHBondContact O-N 3.32Å; R166-E170 WeakPolarHBondContact O-CB 3.1Å; R166-E170 PolarHBondContact O-N 3.3Å
167	A	73.7	Confident	74.3	Confident	56 Å²	56	114.8 Å²	114.8	46%	0.463	52%	0.517	S	S	.	.	H	α-helix	trans	-60.5	-39.3	176.2	0	0	0	0	0	112.3	S163 R164 E170 Q171	S163-A167 PolarHBondContact O-N 3.37Å; R164-A167 PolarHBondContact O-N 2.96Å; A167-E170 PolarHBondContact O-N 2.87Å; A167-Q171 WeakPolarHBondContact O-CB 3.4Å; A167-Q171 PolarHBondContact O-N 3.1Å
168	Q	73	Confident	75.2	Confident	108 Å²	108	115 Å²	115	51%	0.505	52%	0.518	S	S	.	.	H	α-helix	trans	-73.4	-33.4	179.5	-163.1	166.1	12.9	0	0	113	R164 G165 R166 Q171 R172	R164-Q168 PolarHBondContact O-N 2.93Å; R164-Q168 VanDerWaalsContact O-N 3.09Å; G165-Q168 PolarHBondContact O-N 3.39Å; R166-Q168 VanDerWaalsContact C-N 3.29Å; R166-Q168 PolarHBondContact O-N 3.18Å; Q168-Q171 PolarHBondContact O-N 3.31Å; Q168-R172 PolarHBondContact O-N 3.48Å
169	L	73.7	Confident	75.6	Confident	86 Å²	86	110.6 Å²	110.6	45%	0.45	51%	0.505	S	S	.	.	H	α-helix	trans	-67.1	-39.5	173.3	-153.4	90.3	0	0	0	111.1	G165 R166 R172 R173	G165-L169 WeakPolarHBondContact O-CB 3.33Å; G165-L169 PolarHBondContact O-N 3.48Å; R166-L169 PolarHBondContact O-N 3.32Å; L169-R172 PolarHBondContact O-N 3.35Å; L169-R173 PolarHBondContact O-N 2.83Å
170	E	76	Confident	76.8	Confident	103 Å²	103	115.6 Å²	115.6	48%	0.481	52%	0.521	S	S	.	.	H	α-helix	trans	-67.7	-39.6	176.6	-157.6	-177.3	157.7	0	0	111.6	R166 A167 R173 R174	R166-E170 WeakPolarHBondContact O-CB 3.1Å; R166-E170 PolarHBondContact O-N 3.3Å; A167-E170 PolarHBondContact O-N 2.87Å; E170-R173 PolarHBondContact O-N 2.81Å; E170-R174 WeakPolarHBondContact O-CG 3.45Å; E170-R174 PolarHBondContact O-N 3Å; E170-R174 VanDerWaalsContact O-N 3.09Å; E170-R174 IonicContact OE1-CZ 2.64Å; E170-R174 IonicContact OE1-NE 3.71Å; E170-R174 IonicContact OE1-NH2 3.37Å; E170-R174 PolarHBondContact OE1-NH2 2.79Å
171	Q	78.5	Confident	78	Confident	111 Å²	111	116.4 Å²	116.4	52%	0.519	52%	0.524	S	S	.	.	H	α-helix	trans	-62.1	-44.4	172.9	-172.9	177.5	-15.1	0	0	111.9	A167 Q168 R173 R174 E175	A167-Q171 WeakPolarHBondContact O-CB 3.4Å; A167-Q171 PolarHBondContact O-N 3.1Å; Q168-Q171 PolarHBondContact O-N 3.31Å; Q171-R173 PolarHBondContact O-N 3.23Å; Q171-R174 PolarHBondContact O-N 3.37Å; Q171-E175 PolarHBondContact NE2-OE1 2.7Å; Q171-E175 WeakPolarHBondContact O-CG 3.37Å; Q171-E175 PolarHBondContact O-N 2.71Å
172	R	78.5	Confident	78.9	Confident	163 Å²	163	112.9 Å²	112.9	62%	0.615	51%	0.508	S	S	*	.	H	α-helix	trans	-60	-42.6	174.9	-95.7	-170.8	172	-143.1	0.9	112.8	Q168 L169 R174 E175 E176	Q168-R172 PolarHBondContact O-N 3.48Å; L169-R172 PolarHBondContact O-N 3.35Å; R172-R174 VanDerWaalsContact C-N 3.29Å; R172-R174 PolarHBondContact O-N 2.62Å; R172-E175 PolarHBondContact O-N 3.43Å; R172-E176 WeakPolarHBondContact O-CG 3.29Å; R172-E176 PolarHBondContact O-N 3.48Å
173	R	81.5	Confident	79.6	Confident	170 Å²	170	117.2 Å²	117.2	64%	0.642	53%	0.526	S	S	*	.	H	α-helix	trans	-60.2	-40.7	175.8	-77.1	-177	-178.5	-175.7	0.8	111.8	L169 E170 Q171 E176 E177	L169-R173 PolarHBondContact O-N 2.83Å; E170-R173 PolarHBondContact O-N 2.81Å; Q171-R173 PolarHBondContact O-N 3.23Å; R173-E176 PolarHBondContact O-N 2.99Å; R173-E177 WeakPolarHBondContact O-CB 3.39Å; R173-E177 PolarHBondContact O-N 2.76Å
174	R	83.8	Confident	80.7	Confident	163 Å²	163	114 Å²	114	62%	0.615	51%	0.505	S	S	*	.	H	α-helix	trans	-65.8	-38.4	176.2	-67.7	174.6	-171.7	-173.6	4.1	112	E170 Q171 R172 L178	E170-R174 WeakPolarHBondContact O-CG 3.45Å; E170-R174 PolarHBondContact O-N 3Å; E170-R174 VanDerWaalsContact O-N 3.09Å; E170-R174 IonicContact OE1-CZ 2.64Å; E170-R174 IonicContact OE1-NE 3.71Å; E170-R174 IonicContact OE1-NH2 3.37Å; E170-R174 PolarHBondContact OE1-NH2 2.79Å; Q171-R174 PolarHBondContact O-N 3.37Å; R172-R174 VanDerWaalsContact C-N 3.29Å; R172-R174 PolarHBondContact O-N 2.62Å; R174-L178 WeakPolarHBondContact O-CB 3.24Å; R174-L178 PolarHBondContact O-N 2.84Å
175	E	81.6	Confident	81.8	Confident	101 Å²	101	105.8 Å²	105.8	47%	0.472	48%	0.482	S	S	.	.	H	α-helix	trans	-67.2	-43.6	175.6	-72.8	171.6	-172.7	0	0	112	Q171 R172 L178 E179	Q171-E175 PolarHBondContact NE2-OE1 2.7Å; Q171-E175 WeakPolarHBondContact O-CG 3.37Å; Q171-E175 PolarHBondContact O-N 2.71Å; R172-E175 PolarHBondContact O-N 3.43Å; E175-L178 PolarHBondContact O-N 3.2Å; E175-E179 PolarHBondContact O-N 2.95Å
176	E	86.3	Confident	82.8	Confident	115 Å²	115	112.9 Å²	112.9	54%	0.537	51%	0.507	S	S	.	.	H	α-helix	trans	-63.8	-40.6	175.5	-74.4	172.1	-174.9	0	0	111.9	R172 R173 L178 E179 R180	R172-E176 WeakPolarHBondContact O-CG 3.29Å; R172-E176 PolarHBondContact O-N 3.48Å; R173-E176 PolarHBondContact O-N 2.99Å; E176-L178 VanDerWaalsContact C-N 3.34Å; E176-E179 PolarHBondContact O-N 2.73Å; E176-R180 WeakPolarHBondContact O-CG 3.24Å; E176-R180 PolarHBondContact O-N 3.29Å
177	E	88.5	Confident	83.5	Confident	105 Å²	105	110.4 Å²	110.4	49%	0.491	50%	0.502	S	S	.	.	H	α-helix	trans	-65.6	-38.3	175.6	-160.5	-167.4	141.5	0	0	111.9	R173 R180 K181	R173-E177 WeakPolarHBondContact O-CB 3.39Å; R173-E177 PolarHBondContact O-N 2.76Å; E177-R180 PolarHBondContact O-N 2.77Å; E177-K181 WeakPolarHBondContact O-CG 2.94Å; E177-K181 PolarHBondContact O-N 2.74Å; E177-K181 IonicContact OE1-NZ 2.62Å; E177-K181 PolarHBondContact OE1-NZ 2.82Å
178	L	88.4	Confident	84.2	Confident	93 Å²	93	114.8 Å²	114.8	49%	0.487	51%	0.507	S	S	.	.	H	α-helix	trans	-65.1	-41.8	174.9	-174.8	67.7	0	0	0	111.6	R174 E175 E176 K181 K182	R174-L178 WeakPolarHBondContact O-CB 3.24Å; R174-L178 PolarHBondContact O-N 2.84Å; E175-L178 PolarHBondContact O-N 3.2Å; E176-L178 VanDerWaalsContact C-N 3.34Å; L178-K181 WeakPolarHBondContact O-CB 3.27Å; L178-K181 PolarHBondContact O-N 2.85Å; L178-K182 WeakPolarHBondContact O-CG 3.25Å; L178-K182 PolarHBondContact O-N 2.92Å
179	E	84	Confident	84.9	Confident	91 Å²	91	119 Å²	119	43%	0.425	52%	0.519	S	S	.	.	H	α-helix	trans	-65.7	-41.7	175.4	-78.8	-55.6	132.8	0	0	112	E175 E176 K181 K182 E183	E175-E179 PolarHBondContact O-N 2.95Å; E176-E179 PolarHBondContact O-N 2.73Å; E179-K181 VanDerWaalsContact C-N 3.29Å; E179-K181 PolarHBondContact O-N 2.88Å; E179-K182 WeakPolarHBondContact O-CB 3.46Å; E179-K182 PolarHBondContact O-N 2.82Å; E179-K182 VanDerWaalsContact O-N 3.12Å; E179-K182 WeakPolarHBondContact OE1-CD 3.42Å; E179-K182 IonicContact OE1-NZ 2.72Å; E179-K182 PolarHBondContact OE1-NZ 2.89Å; E179-E183 WeakPolarHBondContact O-CB 3.41Å; E179-E183 PolarHBondContact O-N 3.43Å
180	R	89.6	Confident	85.5	Confident	193 Å²	193	123.9 Å²	123.9	73%	0.728	53%	0.531	S	S	*	.	H	α-helix	trans	-60	-39.1	173.1	-71.3	-178.9	87.5	-173.9	6.7	112	E176 E177 E183 A184	E176-R180 WeakPolarHBondContact O-CG 3.24Å; E176-R180 PolarHBondContact O-N 3.29Å; E177-R180 PolarHBondContact O-N 2.77Å; R180-E183 PolarHBondContact O-N 3.09Å; R180-A184 WeakPolarHBondContact O-CB 3.46Å; R180-A184 PolarHBondContact O-N 3.43Å
181	K	89.1	Confident	86.1	Confident	122 Å²	122	123.8 Å²	123.8	53%	0.53	53%	0.53	S	S	.	.	H	α-helix	trans	-64.1	-41.4	174.4	-79.4	168.4	170.3	159.5	0	112.1	E177 L178 E179 A185	E177-K181 WeakPolarHBondContact O-CG 2.94Å; E177-K181 PolarHBondContact O-N 2.74Å; E177-K181 IonicContact OE1-NZ 2.62Å; E177-K181 PolarHBondContact OE1-NZ 2.82Å; L178-K181 WeakPolarHBondContact O-CB 3.27Å; L178-K181 PolarHBondContact O-N 2.85Å; E179-K181 VanDerWaalsContact C-N 3.29Å; E179-K181 PolarHBondContact O-N 2.88Å; K181-A185 WeakPolarHBondContact O-CB 3.29Å; K181-A185 PolarHBondContact O-N 3.33Å
182	K	86.7	Confident	86.6	Confident	90 Å²	90	122.6 Å²	122.6	39%	0.391	53%	0.53	S	S	.	.	H	α-helix	trans	-65.8	-40.8	175.3	-72.3	175	-171.5	168.4	0	111.9	L178 E179 A185 R186	L178-K182 WeakPolarHBondContact O-CG 3.25Å; L178-K182 PolarHBondContact O-N 2.92Å; E179-K182 WeakPolarHBondContact O-CB 3.46Å; E179-K182 PolarHBondContact O-N 2.82Å; E179-K182 VanDerWaalsContact O-N 3.12Å; E179-K182 WeakPolarHBondContact OE1-CD 3.42Å; E179-K182 IonicContact OE1-NZ 2.72Å; E179-K182 PolarHBondContact OE1-NZ 2.89Å; K182-A185 WeakPolarHBondContact O-CB 3.44Å; K182-A185 PolarHBondContact O-N 3.13Å; K182-R186 WeakPolarHBondContact O-CG 3.25Å; K182-R186 PolarHBondContact O-N 3.42Å
183	E	85.4	Confident	87	Confident	118 Å²	118	121.7 Å²	121.7	55%	0.551	53%	0.531	S	S	*	.	H	α-helix	trans	-66.1	-44.3	178.5	-169	166.1	-156.5	0	0	111.7	E179 R180 A185 R186 Q187	E179-E183 WeakPolarHBondContact O-CB 3.41Å; E179-E183 PolarHBondContact O-N 3.43Å; R180-E183 PolarHBondContact O-N 3.09Å; E183-A185 VanDerWaalsContact C-N 3.29Å; E183-A185 PolarHBondContact O-N 3.36Å; E183-R186 WeakPolarHBondContact O-CB 3.27Å; E183-R186 PolarHBondContact O-N 2.83Å; E183-R186 VanDerWaalsContact O-N 3.07Å; E183-Q187 PolarHBondContact O-N 2.99Å
184	A	90.1	Very high	87.1	Confident	31 Å²	31	119.2 Å²	119.2	26%	0.256	53%	0.527	S	S	.	.	H	α-helix	trans	-60.1	-37.9	172.1	0	0	0	0	0	112.3	R180 Q187 R188	R180-A184 WeakPolarHBondContact O-CB 3.46Å; R180-A184 PolarHBondContact O-N 3.43Å; A184-Q187 PolarHBondContact O-N 3.21Å; A184-R188 WeakPolarHBondContact O-CG 3.38Å; A184-R188 PolarHBondContact O-N 3.43Å
185	A	88.6	Confident	87.2	Confident	37 Å²	37	119.3 Å²	119.3	31%	0.306	53%	0.527	S	S	.	.	H	α-helix	trans	-66.7	-35.8	174.2	0	0	0	0	0	112.6	K181 K182 E183 R189	K181-A185 WeakPolarHBondContact O-CB 3.29Å; K181-A185 PolarHBondContact O-N 3.33Å; K182-A185 WeakPolarHBondContact O-CB 3.44Å; K182-A185 PolarHBondContact O-N 3.13Å; E183-A185 VanDerWaalsContact C-N 3.29Å; E183-A185 PolarHBondContact O-N 3.36Å; A185-R189 WeakPolarHBondContact O-CG 3.29Å; A185-R189 PolarHBondContact O-N 3.34Å; A185-R189 VanDerWaalsContact O-N 3.1Å
186	R	89.5	Confident	87.2	Confident	154 Å²	154	119.1 Å²	119.1	58%	0.581	53%	0.529	S	S	*	.	H	α-helix	trans	-66.7	-41.2	174.1	-72.2	171.9	179.7	176.6	1.5	111.5	K182 E183 R189 R190	K182-R186 WeakPolarHBondContact O-CG 3.25Å; K182-R186 PolarHBondContact O-N 3.42Å; E183-R186 WeakPolarHBondContact O-CB 3.27Å; E183-R186 PolarHBondContact O-N 2.83Å; E183-R186 VanDerWaalsContact O-N 3.07Å; R186-R189 PolarHBondContact O-N 2.88Å; R186-R190 WeakPolarHBondContact O-CG 3.44Å; R186-R190 PolarHBondContact O-N 3.41Å; R186-R190 VanDerWaalsContact O-N 3.1Å
187	Q	87.6	Confident	87	Confident	108 Å²	108	118.5 Å²	118.5	51%	0.505	53%	0.528	S	S	.	.	H	α-helix	trans	-62	-48.3	175.2	-75.5	178	-19.1	0	0	111.4	E183 A184 R189 R190 E191	E183-Q187 PolarHBondContact O-N 2.99Å; A184-Q187 PolarHBondContact O-N 3.21Å; Q187-R189 VanDerWaalsContact C-N 3.3Å; Q187-R189 PolarHBondContact O-N 3.23Å; Q187-R190 WeakPolarHBondContact O-CA 3.38Å; Q187-R190 WeakPolarHBondContact O-CB 3.45Å; Q187-R190 PolarHBondContact O-N 3.33Å; Q187-E191 PolarHBondContact O-N 3.48Å
188	R	88.4	Confident	86.6	Confident	148 Å²	148	119 Å²	119	56%	0.558	53%	0.531	S	S	*	.	H	α-helix	trans	-56.3	-41	174.8	-75	-172	-77.7	-103	2.4	113.2	A184 R190 E191 V192	A184-R188 WeakPolarHBondContact O-CG 3.38Å; A184-R188 PolarHBondContact O-N 3.43Å; R188-R190 VanDerWaalsContact C-N 3.32Å; R188-R190 PolarHBondContact O-N 3.25Å; R188-E191 PolarHBondContact O-N 2.77Å; R188-V192 WeakPolarHBondContact O-CG2 3.42Å; R188-V192 PolarHBondContact O-N 3.06Å
189	R	87	Confident	86.1	Confident	198 Å²	198	121 Å²	121	75%	0.747	54%	0.537	S	S	*	.	H	α-helix	trans	-64.2	-35.7	175.7	-73.7	177.6	-174.5	-132.4	2.2	112.6	A185 R186 Q187 K193	A185-R189 WeakPolarHBondContact O-CG 3.29Å; A185-R189 PolarHBondContact O-N 3.34Å; A185-R189 VanDerWaalsContact O-N 3.1Å; R186-R189 PolarHBondContact O-N 2.88Å; Q187-R189 VanDerWaalsContact C-N 3.3Å; Q187-R189 PolarHBondContact O-N 3.23Å; R189-K193 WeakPolarHBondContact O-CB 3.49Å; R189-K193 PolarHBondContact O-N 2.84Å
190	R	85.9	Confident	85.7	Confident	187 Å²	187	122.4 Å²	122.4	71%	0.706	55%	0.547	S	S	*	.	H	α-helix	trans	-68.7	-43.1	176.3	-71.2	175.4	180	-172.6	-0	111.2	R186 Q187 R188 K193 Q194	R186-R190 WeakPolarHBondContact O-CG 3.44Å; R186-R190 PolarHBondContact O-N 3.41Å; R186-R190 VanDerWaalsContact O-N 3.1Å; Q187-R190 WeakPolarHBondContact O-CA 3.38Å; Q187-R190 WeakPolarHBondContact O-CB 3.45Å; Q187-R190 PolarHBondContact O-N 3.33Å; R188-R190 VanDerWaalsContact C-N 3.32Å; R188-R190 PolarHBondContact O-N 3.25Å; R190-K193 PolarHBondContact O-N 3.17Å; R190-Q194 WeakPolarHBondContact O-CB 3.49Å; R190-Q194 PolarHBondContact O-N 2.7Å
191	E	88.6	Confident	84.8	Confident	102 Å²	102	117.4 Å²	117.4	48%	0.477	55%	0.548	S	S	.	.	H	α-helix	trans	-62	-44.8	175.9	-69.5	169.5	-172.9	0	0	112	Q187 R188 K193 Q194 R195	Q187-E191 PolarHBondContact O-N 3.48Å; R188-E191 PolarHBondContact O-N 2.77Å; E191-K193 VanDerWaalsContact C-N 3.35Å; E191-K193 PolarHBondContact O-N 3.36Å; E191-Q194 PolarHBondContact O-N 3.12Å; E191-R195 WeakPolarHBondContact O-CG 3.33Å; E191-R195 PolarHBondContact O-N 2.79Å
192	V	88.8	Confident	83.9	Confident	85 Å²	85	115.9 Å²	115.9	52%	0.515	55%	0.552	S	S	.	*	H	α-helix	trans	-61.4	-44	175.5	171.5	0	0	0	0	111.1	R188 Q194 R195 L196	R188-V192 WeakPolarHBondContact O-CG2 3.42Å; R188-V192 PolarHBondContact O-N 3.06Å; V192-Q194 VanDerWaalsContact C-N 3.29Å; V192-Q194 PolarHBondContact O-N 3.23Å; V192-R195 PolarHBondContact O-N 3.39Å; V192-L196 HydrophobicContact CG1-CD1 4.5Å; V192-L196 PolarHBondContact O-N 3.44Å
193	K	86.9	Confident	83.1	Confident	145 Å²	145	114.7 Å²	114.7	63%	0.63	56%	0.559	S	S	*	*	H	α-helix	trans	-61.1	-39	176.9	-175.6	179.1	178	-178.4	0	111.9	R189 R190 E191 L196 L197	R189-K193 WeakPolarHBondContact O-CB 3.49Å; R189-K193 PolarHBondContact O-N 2.84Å; R190-K193 PolarHBondContact O-N 3.17Å; E191-K193 VanDerWaalsContact C-N 3.35Å; E191-K193 PolarHBondContact O-N 3.36Å; K193-L196 PolarHBondContact O-N 2.92Å; K193-L197 HydrophobicContact CG-CD1 4.2Å; K193-L197 WeakPolarHBondContact O-CG 3.45Å; K193-L197 PolarHBondContact O-N 3.26Å; K193-L197 VanDerWaalsContact O-N 3.08Å
194	Q	85.2	Confident	82	Confident	117 Å²	117	114.3 Å²	114.3	55%	0.547	57%	0.567	S	S	.	*	H	α-helix	trans	-66.8	-43.9	178.2	-169.8	172.1	-3.5	0	0	111.5	R190 E191 V192 L196 L197 E198	R190-Q194 WeakPolarHBondContact O-CB 3.49Å; R190-Q194 PolarHBondContact O-N 2.7Å; E191-Q194 PolarHBondContact O-N 3.12Å; V192-Q194 VanDerWaalsContact C-N 3.29Å; V192-Q194 PolarHBondContact O-N 3.23Å; Q194-L196 VanDerWaalsContact C-N 3.35Å; Q194-L196 PolarHBondContact O-N 3.25Å; Q194-L197 WeakPolarHBondContact O-CB 3.34Å; Q194-L197 PolarHBondContact O-N 3.09Å; Q194-E198 PolarHBondContact O-N 3.49Å
195	R	84.2	Confident	80	Confident	165 Å²	165	118.8 Å²	118.8	62%	0.623	59%	0.594	S	S	*	*	H	α-helix	trans	-61.1	-42.1	174.5	-69.3	178.5	-173.9	-170.9	1.9	112.5	E191 V192 L197 E198 E199	E191-R195 WeakPolarHBondContact O-CG 3.33Å; E191-R195 PolarHBondContact O-N 2.79Å; V192-R195 PolarHBondContact O-N 3.39Å; R195-L197 VanDerWaalsContact C-N 3.3Å; R195-L197 PolarHBondContact O-N 2.93Å; R195-E198 PolarHBondContact O-N 3.29Å; R195-E199 WeakPolarHBondContact O-CG 3.34Å; R195-E199 PolarHBondContact O-N 3.28Å
196	L	82.6	Confident	78	Confident	97 Å²	97	129 Å²	129	51%	0.508	62%	0.624	S	S	.	*	H	α-helix	trans	-64.6	-35.8	177.8	-130.5	127.7	0	0	0	112.1	V192 K193 Q194 L200	V192-L196 HydrophobicContact CG1-CD1 4.5Å; V192-L196 PolarHBondContact O-N 3.44Å; K193-L196 PolarHBondContact O-N 2.92Å; Q194-L196 VanDerWaalsContact C-N 3.35Å; Q194-L196 PolarHBondContact O-N 3.25Å; L196-L200 HydrophobicContact CD2-CD1 4.32Å; L196-L200 WeakPolarHBondContact O-CB 3.41Å; L196-L200 WeakPolarHBondContact O-CD1 3.38Å; L196-L200 VanDerWaalsContact O-CG 3.3Å; L196-L200 WeakPolarHBondContact O-CG 3.43Å; L196-L200 PolarHBondContact O-N 2.99Å
197	L	81.2	Confident	75.7	Confident	102 Å²	102	131.6 Å²	131.6	53%	0.534	64%	0.64	S	S	.	*	H	α-helix	trans	-69.2	-37.5	174	-79.1	162.7	0	0	0	112.1	K193 Q194 R195 L200 A201	K193-L197 HydrophobicContact CG-CD1 4.2Å; K193-L197 WeakPolarHBondContact O-CG 3.45Å; K193-L197 PolarHBondContact O-N 3.26Å; K193-L197 VanDerWaalsContact O-N 3.08Å; Q194-L197 WeakPolarHBondContact O-CB 3.34Å; Q194-L197 PolarHBondContact O-N 3.09Å; R195-L197 VanDerWaalsContact C-N 3.3Å; R195-L197 PolarHBondContact O-N 2.93Å; L197-L200 PolarHBondContact O-N 3.19Å; L197-A201 WeakPolarHBondContact O-CB 3.36Å; L197-A201 PolarHBondContact O-N 2.8Å
198	E	81.6	Confident	73.5	Confident	117 Å²	117	132.4 Å²	132.4	55%	0.547	66%	0.657	S	S	.	*	H	α-helix	trans	-68.6	-37.6	173.9	-77.7	170.3	178.9	0	0	112.4	Q194 R195 A201 S202	Q194-E198 PolarHBondContact O-N 3.49Å; R195-E198 PolarHBondContact O-N 3.29Å; E198-A201 PolarHBondContact O-N 2.81Å; E198-S202 WeakPolarHBondContact O-CB 3.42Å; E198-S202 PolarHBondContact O-N 2.82Å; E198-S202 PolarHBondContact O-OG 2.86Å
199	E	78.1	Confident	70.9	Confident	133 Å²	133	129.9 Å²	129.9	62%	0.621	67%	0.668	S	S	*	*	H	α-helix	trans	-65.7	-40.6	172.9	-76.3	-179.1	177.8	0	0	112	R195 A201 S202 A203	R195-E199 WeakPolarHBondContact O-CG 3.34Å; R195-E199 PolarHBondContact O-N 3.28Å; E199-A201 VanDerWaalsContact C-N 3.32Å; E199-A201 PolarHBondContact O-N 3.34Å; E199-S202 WeakPolarHBondContact CA-OG 3.42Å; E199-S202 PolarHBondContact O-N 3.28Å; E199-S202 PolarHBondContact O-OG 3.39Å; E199-S202 VanDerWaalsContact O-OG 3.12Å; E199-A203 PolarHBondContact O-N 3.06Å
200	L	74	Confident	68.5	Low	121 Å²	121	131.4 Å²	131.4	63%	0.634	67%	0.674	S	S	*	*	H	α-helix	trans	-65.8	-35.1	173.9	-78.5	162.7	0	0	0	112.3	L196 L197 S202	L196-L200 HydrophobicContact CD2-CD1 4.32Å; L196-L200 WeakPolarHBondContact O-CB 3.41Å; L196-L200 WeakPolarHBondContact O-CD1 3.38Å; L196-L200 VanDerWaalsContact O-CG 3.3Å; L196-L200 WeakPolarHBondContact O-CG 3.43Å; L196-L200 PolarHBondContact O-N 2.99Å; L197-L200 PolarHBondContact O-N 3.19Å; L200-S202 VanDerWaalsContact C-N 3.35Å
201	A	71.8	Confident	66.2	Low	89 Å²	89	130 Å²	130	74%	0.736	68%	0.68	S	S	*	*	H	α-helix	trans	-74.9	-22.6	177.5	0	0	0	0	0	113.4	L197 E198 E199	L197-A201 WeakPolarHBondContact O-CB 3.36Å; L197-A201 PolarHBondContact O-N 2.8Å; E198-A201 PolarHBondContact O-N 2.81Å; E199-A201 VanDerWaalsContact C-N 3.32Å; E199-A201 PolarHBondContact O-N 3.34Å
202	S	69.9	Low	63.6	Low	90 Å²	90	132.7 Å²	132.7	63%	0.629	70%	0.696	S	S	*	*	H	α-helix	trans	-95.5	-3.9	180	53.1	0	0	0	0	114.2	E198 E199 L200	E198-S202 WeakPolarHBondContact O-CB 3.42Å; E198-S202 PolarHBondContact O-N 2.82Å; E198-S202 PolarHBondContact O-OG 2.86Å; E199-S202 WeakPolarHBondContact CA-OG 3.42Å; E199-S202 PolarHBondContact O-N 3.28Å; E199-S202 PolarHBondContact O-OG 3.39Å; E199-S202 VanDerWaalsContact O-OG 3.12Å; L200-S202 VanDerWaalsContact C-N 3.35Å
203	A	69.1	Low	61	Low	64 Å²	64	135.8 Å²	135.8	53%	0.529	71%	0.709	S	S	.	*	S	Bend	trans	-72.4	126.3	176	0	0	0	0	0	111.7	E199	E199-A203 PolarHBondContact O-N 3.06Å
204	P	62.3	Low	58.4	Low	110 Å²	110	137.3 Å²	137.3	71%	0.714	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-70.7	149.9	179	26.9	-32.1	0	0	0	111.8	R206	P204-R206 PolarHBondContact O-N 3.21Å
205	P	49.1	Very low	55.8	Low	126 Å²	126	135.9 Å²	135.9	82%	0.818	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-67.9	120.1	-175.1	26.8	-32.2	0	0	0	110.6	K207	P205-K207 PolarHBondContact O-N 3.02Å
206	R	45.3	Very low	54.2	Low	250 Å²	250	134.4 Å²	134.4	94%	0.943	74%	0.738	S	S	*	*			trans	-68.1	113.1	173.1	-84.5	-177.1	168.3	-178.5	-3.1	109.8	P204	P204-R206 PolarHBondContact O-N 3.21Å
207	K	43	Very low	51.5	Low	209 Å²	209	133.2 Å²	133.2	91%	0.909	75%	0.749	S	S	*	*			trans	-68.2	128.7	167.6	-67.4	178.2	179.1	177.4	0	109.9	P205	P205-K207 PolarHBondContact O-N 3.02Å
208	S	41	Very low	49.7	Very low	126 Å²	126	134.6 Å²	134.6	88%	0.881	76%	0.764	S	S	*	*			trans	-146.9	140.5	146.4	54	0	0	0	0	109.3
209	A	33.1	Very low	47.4	Very low	94 Å²	94	135.1 Å²	135.1	78%	0.777	78%	0.775	S	S	*	*			trans	-125.2	166.4	-160.9	0	0	0	0	0	111.4
210	R	36.6	Very low	45.1	Very low	231 Å²	231	133.8 Å²	133.8	87%	0.872	79%	0.787	S	S	*	*			trans	84.4	131.7	168.8	-70.5	178.5	159.7	179.5	-5	115.5
211	L	37.1	Very low	43.1	Very low	158 Å²	158	133.8 Å²	133.8	83%	0.827	79%	0.791	S	S	*	*			cis	-143.1	130.5	29.9	-67	152.6	0	0	0	108.7
212	L	34.8	Very low	41.1	Very low	158 Å²	158	140.9 Å²	140.9	83%	0.827	80%	0.799	S	S	*	*				52.2	126	69.8	-78.2	-179	0	0	0	118.5
213	L	33.8	Very low	39.4	Very low	150 Å²	150	142.2 Å²	142.2	79%	0.785	81%	0.806	S	S	*	*			trans	139.6	128.9	146.6	-69.3	165.6	0	0	0	107.9
214	H	33.2	Very low	37.7	Very low	176 Å²	176	143.6 Å²	143.6	82%	0.815	82%	0.817	S	S	*	*			cis	-161.4	152.1	0.4	-112.2	-66.3	0	0	0	107.7
215	A	29.5	Very low	36.1	Very low	87 Å²	87	145.1 Å²	145.1	72%	0.719	82%	0.824	S	S	*	*			trans	-95.2	-164.8	174.6	0	0	0	0	0	111.2
216	P	50.9	Low	35.2	Very low	134 Å²	134	147.2 Å²	147.2	87%	0.87	83%	0.828	S	S	*	*			cis	-139.5	175.8	-13	34.3	-13.1	0	0	0	115.7
217	G	26.4	Very low	34.5	Very low	72 Å²	72	139.2 Å²	139.2	74%	0.742	82%	0.816	S	S	*	*			trans	-173.2	145.2	160	0	0	0	0	0	112.9
218	P	42.2	Very low	33.8	Very low	131 Å²	131	136.4 Å²	136.4	85%	0.851	82%	0.816	S	S	*	*			trans	-109.4	152.9	-133.3	37.9	-31.7	0	0	0	118.4
219	V	33.6	Very low	33.5	Very low	129 Å²	129	135.5 Å²	135.5	78%	0.782	81%	0.81	S	S	*	*			trans	-2	128.5	149.3	-169.6	0	0	0	0	119.4	V221	V219-V221 HydrophobicContact CG1-CG2 4.06Å
220	A	30.8	Very low	33.4	Very low	104 Å²	104	142.8 Å²	142.8	86%	0.86	82%	0.817	S	S	*	*			trans	-137.8	120.3	147.9	0	0	0	0	0	111
221	V	30.9	Very low	33	Very low	121 Å²	121	143.6 Å²	143.6	73%	0.733	82%	0.82	S	S	*	*			trans	-80.6	138.9	176	173	0	0	0	0	109.6	V219	V219-V221 HydrophobicContact CG1-CG2 4.06Å
222	R	31.4	Very low	32.8	Very low	239 Å²	239	140.5 Å²	140.5	90%	0.902	82%	0.817	S	S	*	*			trans	-139.4	137	153.8	-71.3	-171.7	85.8	179	5.3	111.8
223	P	32.7	Very low	32.7	Very low	118 Å²	118	139 Å²	139	77%	0.766	82%	0.817	S	S	*	*			trans	-89.9	165.4	-174.8	36.7	-36	0	0	0	113.5
224	A	33.2	Very low	32.8	Very low	93 Å²	93	137 Å²	137	77%	0.769	82%	0.822	S	S	*	*			trans	-72.5	142.4	172.8	0	0	0	0	0	112.7
225	T	29.8	Very low	32.9	Very low	141 Å²	141	133.3 Å²	133.3	87%	0.865	82%	0.822	S	S	*	*			trans	-145.5	130	154.5	44.4	0	0	0	0	110.3
226	L	29.4	Very low	33.2	Very low	170 Å²	170	133.8 Å²	133.8	89%	0.89	83%	0.826	S	S	*	*			trans	-75.4	150	176.1	-96.5	94.6	0	0	0	113
227	A	32	Very low	32.4	Very low	83 Å²	83	135.6 Å²	135.6	69%	0.686	83%	0.827	S	S	*	*			trans	68.1	119.9	143.2	0	0	0	0	0	120.1
228	T	27.8	Very low	32.9	Very low	149 Å²	149	141.1 Å²	141.1	91%	0.914	83%	0.831	S	S	*	*				-165.8	144.6	113.9	18.5	0	0	0	0	112.8
229	S	33.8	Very low	32.6	Very low	107 Å²	107	140.6 Å²	140.6	75%	0.748	83%	0.827	S	S	*	*			trans	-54.2	134.7	-178.7	170.9	0	0	0	0	115.5
230	R	31.5	Very low	32.7	Very low	248 Å²	248	145.3 Å²	145.3	94%	0.936	83%	0.831	S	S	*	*			trans	-143.1	128.1	146.5	-76.9	-164.3	169	-179.1	-3.8	111.8
231	R	29.3	Very low	33.2	Very low	248 Å²	248	152 Å²	152	94%	0.936	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-59.4	135.8	179	-82	170.7	163.5	168.1	-6.2	112.5
232	A	32	Very low	33.8	Very low	93 Å²	93	153.8 Å²	153.8	77%	0.769	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-83.2	150.5	169	0	0	0	0	0	111.8
233	P	32.2	Very low	34.4	Very low	126 Å²	126	147.1 Å²	147.1	82%	0.818	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-80.2	148.1	170	32.7	-30.3	0	0	0	111.3	A235	P233-A235 PolarHBondContact O-N 3.45Å
234	A	36.2	Very low	35.7	Very low	109 Å²	109	145.8 Å²	145.8	90%	0.901	82%	0.821	S	S	*	*			trans	-65.4	113.2	-176.9	0	0	0	0	0	112.1
235	A	34.8	Very low	37.7	Very low	98 Å²	98	143 Å²	143	81%	0.81	79%	0.794	S	S	*	*			trans	-87.6	127	166.9	0	0	0	0	0	109.8	P233 L237	P233-A235 PolarHBondContact O-N 3.45Å; A235-L237 PolarHBondContact O-N 3.37Å
236	A	36	Very low	40.2	Very low	96 Å²	96	138.2 Å²	138.2	79%	0.793	77%	0.77	S	S	*	*			trans	-52.3	130.4	179.5	0	0	0	0	0	112.6	K238	A236-K238 PolarHBondContact O-N 3.18Å
237	L	35	Very low	43.1	Very low	173 Å²	173	132.4 Å²	132.4	91%	0.906	74%	0.742	S	S	*	*			trans	-60.3	102.7	172.4	-80.5	144.9	0	0	0	110	A235	A235-L237 PolarHBondContact O-N 3.37Å
238	K	37.1	Very low	45.6	Very low	187 Å²	187	128.4 Å²	128.4	81%	0.813	71%	0.709	S	S	*	*			trans	-63.3	135.1	159.7	-71.9	-178.4	178.7	178.3	0	108	A236 R240	A236-K238 PolarHBondContact O-N 3.18Å; K238-R240 PolarHBondContact O-N 3.05Å
239	P	35.5	Very low	48.7	Very low	120 Å²	120	122.6 Å²	122.6	78%	0.779	67%	0.673	S	S	*	*			trans	-60.1	125.6	176.1	24	-30.4	0	0	0	108.6	R241	P239-R241 PolarHBondContact O-N 2.77Å
240	R	35.6	Very low	51.5	Low	228 Å²	228	117.5 Å²	117.5	86%	0.86	64%	0.638	S	S	*	*			trans	-54.1	109.2	172.5	-83.8	178.9	159.7	-178.9	-6.4	108.1	K238 Q242	K238-R240 PolarHBondContact O-N 3.05Å; R240-Q242 PolarHBondContact O-N 2.59Å; R240-Q242 VanDerWaalsContact O-N 3.16Å
241	R	41.6	Very low	54.5	Low	246 Å²	246	105.7 Å²	105.7	93%	0.928	59%	0.593	S	S	*	*			trans	-58.8	118	166.5	-75.3	-178.7	173.8	177.5	-3.2	107.1	P239	P239-R241 PolarHBondContact O-N 2.77Å
242	Q	43.4	Very low	57.6	Low	157 Å²	157	93.9 Å²	93.9	73%	0.734	55%	0.549	S	S	*	.			trans	-59.1	145.9	170.6	-66	-178.7	-7.9	0	0	108.4	R240 A244	R240-Q242 PolarHBondContact O-N 2.59Å; R240-Q242 VanDerWaalsContact O-N 3.16Å; Q242-A244 PolarHBondContact O-N 3.03Å
243	P	44.5	Very low	60.5	Low	99 Å²	99	93.8 Å²	93.8	64%	0.643	53%	0.528	S	S	*	.			trans	-63.1	103	171.8	25.4	-30.6	0	0	0	107.9	V245 L339	P243-V245 PolarHBondContact O-N 2.59Å; P243-L339 HydrophobicContact CG-CD1 4.42Å
244	A	59.4	Low	63.3	Low	90 Å²	90	90.3 Å²	90.3	74%	0.744	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-72.5	123.9	174.8	0	0	0	0	0	107.8	Q242	Q242-A244 PolarHBondContact O-N 3.03Å
245	V	74.2	Confident	65.7	Low	34 Å²	34	86.6 Å²	86.6	21%	0.206	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-74.2	141.2	169.6	-176.4	0	0	0	0	106.7	P243 V249 G368 A371	P243-V245 PolarHBondContact O-N 2.59Å; V245-V249 HydrophobicContact CG1-CB 4.08Å; V245-V249 WeakPolarHBondContact CG1-O 3.32Å; V245-G368 PolarHBondContact N-O 3.36Å; V245-G368 CarbonylContact O-C 3.44Å; V245-G368 WeakPolarHBondContact O-CA 3.42Å; V245-A371 HydrophobicContact CG2-CB 4.04Å
246	A	84.1	Confident	68.1	Low	42 Å²	42	84.3 Å²	84.3	35%	0.347	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-56.5	130.3	175.6	0	0	0	0	0	109.4	G248 V249 F624	A246-G248 PolarHBondContact O-N 3.09Å; A246-V249 HydrophobicContact CB-CB 4.46Å; A246-V249 HydrophobicContact CB-CG2 3.83Å; A246-V249 WeakPolarHBondContact O-CB 3.42Å; A246-V249 PolarHBondContact O-N 3.06Å; A246-F624 HydrophobicContact CB-CZ 4.35Å
247	P	88.6	Confident	70.7	Confident	47 Å²	47	82.4 Å²	82.4	31%	0.305	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	137.8	176.5	-29	35.9	0	0	0	112.1	V249 W366 N619 E621	P247-V249 PolarHBondContact O-N 2.96Å; P247-W366 HydrophobicContact CB-CE3 3.91Å; P247-W366 HydrophobicContact CB-CZ3 4.43Å; P247-N619 PolarHBondContact O-ND2 3.18Å; P247-E621 WeakPolarHBondContact CB-OE2 3.48Å
248	G	85.6	Confident	73.5	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	84	-13.9	-176.6	0	0	0	0	0	114.4	A246 T250 H270 M365	A246-G248 PolarHBondContact O-N 3.09Å; G248-T250 VanDerWaalsContact C-N 3.27Å; G248-T250 PolarHBondContact O-N 3.01Å; G248-T250 VanDerWaalsContact O-N 3.15Å; G248-H270 PolarHBondContact O-CE1 3.28Å; G248-H270 PolarHBondContact O-NE2 2.68Å; G248-M365 PolarHBondContact N-O 2.68Å; G248-M365 VanDerWaalsContact N-O 3.09Å
249	V	91.7	Very high	76.3	Confident	27 Å²	27	65.8 Å²	65.8	16%	0.164	35%	0.352	C	S	.	.			trans	-90.9	60	175.9	-166.9	0	0	0	0	110.4	V245 A246 P247 F624 V626 L633	V245-V249 HydrophobicContact CG1-CB 4.08Å; V245-V249 WeakPolarHBondContact CG1-O 3.32Å; A246-V249 HydrophobicContact CB-CB 4.46Å; A246-V249 HydrophobicContact CB-CG2 3.83Å; A246-V249 WeakPolarHBondContact O-CB 3.42Å; A246-V249 PolarHBondContact O-N 3.06Å; P247-V249 PolarHBondContact O-N 2.96Å; V249-F624 HydrophobicContact CG2-CE2 3.98Å; V249-F624 HydrophobicContact CG2-CZ 3.97Å; V249-V626 HydrophobicContact CG2-CG2 4.42Å; V249-L633 HydrophobicContact CG1-CB 4.1Å; V249-L633 HydrophobicContact CG1-CD2 4.16Å
250	T	93.8	Very high	79.2	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.316	C	S	.	.			trans	-121.3	123	-179.7	-59.8	0	0	0	0	110.4	G248 Q266 M365 W370 V373	G248-T250 VanDerWaalsContact C-N 3.27Å; G248-T250 PolarHBondContact O-N 3.01Å; G248-T250 VanDerWaalsContact O-N 3.15Å; T250-Q266 PolarHBondContact O-NE2 3.44Å; T250-M365 HydrophobicContact CG2-CG 4.25Å; T250-M365 PolarHBondContact OG1-O 3.07Å; T250-W370 WeakPolarHBondContact CB-O 3.42Å; T250-W370 HydrophobicContact CG2-CB 4.43Å; T250-W370 WeakPolarHBondContact CG2-O 3.34Å; T250-W370 PolarHBondContact OG1-O 2.7Å; T250-V373 HydrophobicContact CG2-CB 4.14Å; T250-V373 HydrophobicContact CG2-CG2 3.47Å; T250-V373 VanDerWaalsContact CG2-CG2 3.47Å
251	G	94.1	Very high	82.1	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	152.9	177.9	0	0	0	0	0	112.8	A371 L372 V373 D630	G251-A371 PolarHBondContact N-O 3.49Å; G251-L372 WeakPolarHBondContact O-CA 3.34Å; G251-V373 PolarHBondContact O-N 3Å; G251-D630 CarbonylContact C-O 3.58Å; G251-D630 WeakPolarHBondContact CA-O 3.38Å
252	L	95.3	Very high	84.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.7	174.4	-63.5	-179.2	0	0	0	109.4	N254 N262 L265 Q266 L361 M365 V373 P375 D630 S631	L252-N254 PolarHBondContact O-N 2.84Å; L252-N262 HydrophobicContact CB-CB 4.12Å; L252-N262 HydrophobicContact CD1-CB 4.11Å; L252-L265 HydrophobicContact CD1-CB 3.93Å; L252-L265 HydrophobicContact CD1-CD1 4.35Å; L252-Q266 HydrophobicContact CD1-CG 4.06Å; L252-L361 HydrophobicContact CD2-CD1 4.05Å; L252-M365 HydrophobicContact CD2-SD 4.13Å; L252-V373 CarbonylContact C-O 3.42Å; L252-V373 WeakPolarHBondContact CA-O 3.45Å; L252-V373 HydrophobicContact CD2-CB 4.46Å; L252-P375 HydrophobicContact CB-CG 4.34Å; L252-P375 HydrophobicContact CD2-CB 4.48Å; L252-D630 PolarHBondContact N-O 3.26Å; L252-D630 CarbonylContact O-C 3.56Å; L252-D630 VanDerWaalsContact O-CA 3.25Å; L252-D630 WeakPolarHBondContact O-CA 3.46Å; L252-D630 WeakPolarHBondContact O-CB 3.16Å; L252-S631 PolarHBondContact O-N 3.35Å; L252-S631 VanDerWaalsContact O-N 3.09Å
253	R	92	Very high	87.3	Confident	90 Å²	90	30.6 Å²	30.6	34%	0.34	20%	0.197	S	C	.	.			trans	-62.5	130.9	177.3	-172.3	174.8	-65.4	-89.9	-0.1	109.5	L255 N262 E340 L372 V373	R253-L255 HydrophobicContact CG-CD2 4.26Å; R253-L255 PolarHBondContact O-N 3.23Å; R253-N262 PolarHBondContact O-ND2 3.05Å; R253-E340 IonicContact NH2-OE1 2.66Å; R253-E340 PolarHBondContact NH2-OE1 2.94Å; R253-E340 IonicContact NH2-OE2 3.99Å; R253-L372 HydrophobicContact CB-CD1 4.39Å; R253-V373 PolarHBondContact N-O 3.18Å
254	N	91.6	Very high	89.9	Confident	53 Å²	53	25.9 Å²	25.9	28%	0.283	17%	0.167	S	C	.	.			trans	-74.9	120.9	169.9	-163.9	-23.9	0	0	0	109.6	L252 G256 T258 D630	L252-N254 PolarHBondContact O-N 2.84Å; N254-G256 PolarHBondContact OD1-N 3.03Å; N254-G256 VanDerWaalsContact OD1-N 3.15Å; N254-G256 PolarHBondContact OD1-O 2.66Å; N254-T258 PolarHBondContact OD1-N 2.86Å; N254-T258 PolarHBondContact OD1-OG1 2.94Å; N254-D630 HydrophobicContact CB-CB 4.08Å; N254-D630 WeakPolarHBondContact CB-OD2 3.37Å; N254-D630 PolarHBondContact ND2-OD2 3.47Å
255	L	87	Confident	91.7	Very high	32 Å²	32	21.6 Å²	21.6	17%	0.168	13%	0.131	C	C	.	.			trans	-100.8	45.4	179.5	-55.7	171.5	0	0	0	110.2	R253 T258 P375 F376 L379 Y392	R253-L255 HydrophobicContact CG-CD2 4.26Å; R253-L255 PolarHBondContact O-N 3.23Å; L255-T258 HydrophobicContact CB-CG2 3.93Å; L255-T258 PolarHBondContact N-OG1 3.48Å; L255-P375 HydrophobicContact CD1-CG 4.4Å; L255-F376 HydrophobicContact CD1-CB 3.97Å; L255-F376 HydrophobicContact CD1-CD2 4.15Å; L255-L379 HydrophobicContact CB-CD2 4.03Å; L255-L379 HydrophobicContact CD1-CB 4.48Å; L255-L379 HydrophobicContact CD1-CD2 3.85Å; L255-Y392 VanDerWaalsContact O-CD1 3.22Å; L255-Y392 WeakPolarHBondContact O-CD1 3.48Å; L255-Y392 WeakPolarHBondContact O-CE1 3.39Å
256	G	84.4	Confident	92.8	Very high	50 Å²	50	20.1 Å²	20.1	52%	0.515	12%	0.122	S	C	.	.	S	Bend	trans	108.6	-101.2	-178.1	0	0	0	0	0	112.7	N254	N254-G256 PolarHBondContact OD1-N 3.03Å; N254-G256 VanDerWaalsContact OD1-N 3.15Å; N254-G256 PolarHBondContact OD1-O 2.66Å
257	N	90.1	Very high	93.5	Very high	56 Å²	56	18.1 Å²	18.1	30%	0.299	11%	0.106	S	C	.	.	S	Bend	trans	-108.6	37.9	178.4	-75	-46	0	0	0	111.8	Y260 Y392 Q394	N257-Y260 WeakPolarHBondContact O-CD1 3.39Å; N257-Y260 WeakPolarHBondContact O-CE1 3.44Å; N257-Y392 WeakPolarHBondContact CB-O 3.36Å; N257-Y392 PolarHBondContact ND2-O 3.19Å; N257-Q394 HydrophobicContact CB-CG 4.01Å; N257-Q394 PolarHBondContact OD1-NE2 3.24Å
258	T	93.9	Very high	93.8	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.018	9%	0.091	C	C	.	.			trans	-92.3	5.8	-172.5	57	0	0	0	0	114.7	N254 L255 Y260 M261 N262 L379	N254-T258 PolarHBondContact OD1-N 2.86Å; N254-T258 PolarHBondContact OD1-OG1 2.94Å; L255-T258 HydrophobicContact CB-CG2 3.93Å; L255-T258 PolarHBondContact N-OG1 3.48Å; T258-Y260 VanDerWaalsContact C-N 3.27Å; T258-Y260 PolarHBondContact O-N 2.9Å; T258-M261 HydrophobicContact CG2-CE 4.37Å; T258-M261 WeakPolarHBondContact O-CB 3.36Å; T258-M261 PolarHBondContact O-N 3.16Å; T258-N262 PolarHBondContact O-N 3.07Å; T258-L379 HydrophobicContact CG2-CD1 3.85Å; T258-L379 HydrophobicContact CG2-CD2 3.91Å
259	C	95.6	Very high	94.3	Very high	8 Å²	8	15.9 Å²	15.9	5%	0.054	9%	0.091	C	C	.	.	H	α-helix	trans	-61.4	-32.7	-177.4	57.9	0	0	0	0	113.3	M261 N262 S263 H612	C259-M261 VanDerWaalsContact C-N 3.35Å; C259-M261 PolarHBondContact O-N 2.8Å; C259-N262 PolarHBondContact O-N 3.3Å; C259-S263 WeakPolarHBondContact O-CB 3.42Å; C259-S263 PolarHBondContact O-N 2.72Å; C259-S263 PolarHBondContact O-OG 2.82Å; C259-H612 WeakPolarHBondContact CB-CE1 3.35Å; C259-H612 VanDerWaalsContact CB-ND1 3.31Å; C259-H612 WeakPolarHBondContact CB-ND1 3.22Å; C259-H612 PolarHBondContact SG-ND1 3.2Å
260	Y	96.2	Very high	94.4	Very high	5 Å²	5	15 Å²	15	2%	0.02	9%	0.085	C	C	.	.	H	α-helix	trans	-58.9	-47.1	172.2	75.8	-87.6	0	0	0	110.6	N257 T258 S263 I264 F389 Q395 F400	N257-Y260 WeakPolarHBondContact O-CD1 3.39Å; N257-Y260 WeakPolarHBondContact O-CE1 3.44Å; T258-Y260 VanDerWaalsContact C-N 3.27Å; T258-Y260 PolarHBondContact O-N 2.9Å; Y260-S263 PolarHBondContact O-OG 3.41Å; Y260-I264 WeakPolarHBondContact O-CG1 3.39Å; Y260-I264 PolarHBondContact O-N 3.45Å; Y260-F389 AromaticContact CE2-CD1 3.66Å; Y260-F389 HydrophobicContact CE2-CD1 3.66Å; Y260-F389 HydrophobicContact CE2-CE1 4.09Å; Y260-F389 AromaticContact CZ-CD1 4Å; Y260-Q395 WeakPolarHBondContact CB-O 3.38Å; Y260-Q395 HydrophobicContact CD1-CB 3.93Å; Y260-Q395 HydrophobicContact CD2-CB 4Å; Y260-Q395 HydrophobicContact CE1-CB 3.8Å; Y260-Q395 HydrophobicContact CE1-CG 4.01Å; Y260-Q395 HydrophobicContact CE2-CB 3.88Å; Y260-Q395 HydrophobicContact CE2-CG 4.46Å; Y260-Q395 HydrophobicContact CG-CB 4.05Å; Y260-F400 HydrophobicContact CD2-CB 3.6Å; Y260-F400 HydrophobicContact CD2-CD1 4.02Å; Y260-F400 HydrophobicContact CD2-CD2 4.29Å; Y260-F400 AromaticContact CD2-CG 3.69Å; Y260-F400 HydrophobicContact CD2-CG 3.69Å; Y260-F400 HydrophobicContact CE2-CB 3.73Å; Y260-F400 HydrophobicContact CE2-CD1 4.11Å; Y260-F400 AromaticContact CE2-CD2 3.64Å; Y260-F400 HydrophobicContact CE2-CD2 3.64Å; Y260-F400 HydrophobicContact CE2-CE2 4.31Å; Y260-F400 AromaticContact CE2-CG 3.52Å; Y260-F400 HydrophobicContact CE2-CG 3.52Å
261	M	96.8	Very high	94.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.4	-47.8	177.6	176.8	-176.5	77.4	0	0	111	T258 C259 S263 I264 L265 P375 M378 L379 V382 F400	T258-M261 HydrophobicContact CG2-CE 4.37Å; T258-M261 WeakPolarHBondContact O-CB 3.36Å; T258-M261 PolarHBondContact O-N 3.16Å; C259-M261 VanDerWaalsContact C-N 3.35Å; C259-M261 PolarHBondContact O-N 2.8Å; M261-S263 PolarHBondContact O-N 3.01Å; M261-I264 PolarHBondContact O-N 3.23Å; M261-L265 HydrophobicContact CE-CD1 4.23Å; M261-L265 HydrophobicContact CG-CD1 3.6Å; M261-L265 HydrophobicContact CG-CG 4.07Å; M261-L265 WeakPolarHBondContact O-CB 3.26Å; M261-L265 VanDerWaalsContact O-CG 3.29Å; M261-L265 WeakPolarHBondContact O-CG 3.36Å; M261-L265 PolarHBondContact O-N 3.42Å; M261-L265 HydrophobicContact SD-CD1 4.16Å; M261-P375 HydrophobicContact CE-CB 4.24Å; M261-P375 HydrophobicContact CE-CG 3.99Å; M261-M378 HydrophobicContact SD-CG 4.23Å; M261-L379 HydrophobicContact CE-CB 4.09Å; M261-L379 HydrophobicContact CE-CD1 4.08Å; M261-L379 HydrophobicContact SD-CB 4.42Å; M261-L379 HydrophobicContact SD-CD1 4.04Å; M261-V382 HydrophobicContact SD-CG2 4.47Å; M261-F400 HydrophobicContact CB-CD1 4.38Å; M261-F400 HydrophobicContact CB-CE1 3.9Å; M261-F400 HydrophobicContact CB-CZ 4.07Å; M261-F400 HydrophobicContact CG-CE1 3.69Å; M261-F400 HydrophobicContact CG-CE2 4.41Å; M261-F400 HydrophobicContact CG-CZ 3.56Å; M261-F400 HydrophobicContact SD-CZ 4.35Å
262	N	97.5	Very high	94.2	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.011	11%	0.106	C	C	.	.	H	α-helix	trans	-60.2	-44.9	-178.2	-70.3	-13.4	0	0	0	111.7	L252 R253 T258 C259 I264 L265 Q266 D630	L252-N262 HydrophobicContact CB-CB 4.12Å; L252-N262 HydrophobicContact CD1-CB 4.11Å; R253-N262 PolarHBondContact O-ND2 3.05Å; T258-N262 PolarHBondContact O-N 3.07Å; C259-N262 PolarHBondContact O-N 3.3Å; N262-I264 VanDerWaalsContact C-N 3.33Å; N262-I264 PolarHBondContact O-N 2.91Å; N262-L265 PolarHBondContact O-N 2.98Å; N262-Q266 WeakPolarHBondContact O-CB 3.39Å; N262-Q266 WeakPolarHBondContact O-CG 3.5Å; N262-Q266 PolarHBondContact O-N 3.36Å; N262-D630 WeakPolarHBondContact CB-OD1 3.22Å; N262-D630 PolarHBondContact ND2-OD1 3.13Å
263	S	98	Very high	93.9	Very high	4 Å²	4	23 Å²	23	3%	0.028	12%	0.122	C	C	.	.	H	α-helix	trans	-59.2	-43.6	177.4	68.7	0	0	0	0	111.7	C259 Y260 M261 Q266 V267	C259-S263 WeakPolarHBondContact O-CB 3.42Å; C259-S263 PolarHBondContact O-N 2.72Å; C259-S263 PolarHBondContact O-OG 2.82Å; Y260-S263 PolarHBondContact O-OG 3.41Å; M261-S263 PolarHBondContact O-N 3.01Å; S263-Q266 PolarHBondContact O-N 3.15Å; S263-V267 WeakPolarHBondContact O-CG2 3.39Å; S263-V267 PolarHBondContact O-N 3Å; S263-V267 VanDerWaalsContact O-N 3.07Å
264	I	98.1	Very high	93.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-68.5	-43.9	177.9	-66.2	-53.5	0	0	0	112.3	Y260 M261 N262 Q266 V267 L268 A397 F400 L401 V601 I648	Y260-I264 WeakPolarHBondContact O-CG1 3.39Å; Y260-I264 PolarHBondContact O-N 3.45Å; M261-I264 PolarHBondContact O-N 3.23Å; N262-I264 VanDerWaalsContact C-N 3.33Å; N262-I264 PolarHBondContact O-N 2.91Å; I264-Q266 VanDerWaalsContact C-N 3.3Å; I264-Q266 PolarHBondContact O-N 3.22Å; I264-V267 PolarHBondContact O-N 3.29Å; I264-L268 HydrophobicContact CG2-CD1 3.93Å; I264-L268 HydrophobicContact CG2-CG 4.24Å; I264-L268 WeakPolarHBondContact O-CG 3.32Å; I264-L268 PolarHBondContact O-N 3.02Å; I264-A397 HydrophobicContact CD1-CB 4.18Å; I264-A397 HydrophobicContact CG1-CB 4.09Å; I264-A397 WeakPolarHBondContact CG1-O 3.46Å; I264-F400 HydrophobicContact CB-CD1 3.93Å; I264-F400 HydrophobicContact CB-CE1 4.09Å; I264-F400 HydrophobicContact CG1-CD1 4.05Å; I264-F400 HydrophobicContact CG2-CD1 4.01Å; I264-F400 HydrophobicContact CG2-CE1 4.02Å; I264-L401 HydrophobicContact CD1-CB 4.01Å; I264-L401 HydrophobicContact CD1-CD2 4.21Å; I264-L401 HydrophobicContact CG1-CB 4.23Å; I264-L401 HydrophobicContact CG2-CB 4Å; I264-L401 HydrophobicContact CG2-CD1 3.71Å; I264-L401 HydrophobicContact CG2-CG 4.39Å; I264-V601 HydrophobicContact CD1-CG2 4.09Å; I264-I648 HydrophobicContact CD1-CD1 4.23Å
265	L	97.6	Very high	93.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.9	-39.7	177.1	-69.9	173.6	0	0	0	111.5	L252 M261 N262 S269 L358 L361 P375 M378 L404	L252-L265 HydrophobicContact CD1-CB 3.93Å; L252-L265 HydrophobicContact CD1-CD1 4.35Å; M261-L265 HydrophobicContact CE-CD1 4.23Å; M261-L265 HydrophobicContact CG-CD1 3.6Å; M261-L265 HydrophobicContact CG-CG 4.07Å; M261-L265 WeakPolarHBondContact O-CB 3.26Å; M261-L265 VanDerWaalsContact O-CG 3.29Å; M261-L265 WeakPolarHBondContact O-CG 3.36Å; M261-L265 PolarHBondContact O-N 3.42Å; M261-L265 HydrophobicContact SD-CD1 4.16Å; N262-L265 PolarHBondContact O-N 2.98Å; L265-S269 WeakPolarHBondContact O-CB 3.41Å; L265-S269 PolarHBondContact O-N 2.86Å; L265-S269 PolarHBondContact O-OG 3.46Å; L265-L358 HydrophobicContact CD2-CD2 3.74Å; L265-L361 HydrophobicContact CD1-CD2 3.87Å; L265-L361 HydrophobicContact CD2-CD2 4.4Å; L265-P375 HydrophobicContact CD1-CB 4.48Å; L265-M378 HydrophobicContact CD1-CG 3.91Å; L265-M378 HydrophobicContact CD2-CE 4.11Å; L265-M378 HydrophobicContact CD2-CG 4.38Å; L265-L404 HydrophobicContact CD2-CD2 4.4Å
266	Q	97.6	Very high	93.7	Very high	3 Å²	3	18.5 Å²	18.5	1%	0.014	10%	0.102	C	C	.	.	H	α-helix	trans	-60	-49.6	173.6	-73.2	-71.9	7.5	0	0	111.1	T250 L252 N262 S263 I264 S269 H270 A615 C628	T250-Q266 PolarHBondContact O-NE2 3.44Å; L252-Q266 HydrophobicContact CD1-CG 4.06Å; N262-Q266 WeakPolarHBondContact O-CB 3.39Å; N262-Q266 WeakPolarHBondContact O-CG 3.5Å; N262-Q266 PolarHBondContact O-N 3.36Å; S263-Q266 PolarHBondContact O-N 3.15Å; I264-Q266 VanDerWaalsContact C-N 3.3Å; I264-Q266 PolarHBondContact O-N 3.22Å; Q266-S269 PolarHBondContact O-N 3.42Å; Q266-S269 PolarHBondContact O-OG 3.04Å; Q266-H270 PolarHBondContact O-N 2.96Å; Q266-H270 PolarHBondContact O-ND1 3.24Å; Q266-A615 HydrophobicContact CB-CB 4.49Å; Q266-C628 HydrophobicContact CB-CB 4.16Å; Q266-C628 HydrophobicContact CG-CB 3.85Å
267	V	97.8	Very high	93.6	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.006	8%	0.081	C	C	.	.	H	α-helix	trans	-58.6	-53.5	177.3	171.3	0	0	0	0	111.5	S263 I264 S269 H270 L271 A599 V601 A615 F650	S263-V267 WeakPolarHBondContact O-CG2 3.39Å; S263-V267 PolarHBondContact O-N 3Å; S263-V267 VanDerWaalsContact O-N 3.07Å; I264-V267 PolarHBondContact O-N 3.29Å; V267-S269 PolarHBondContact O-N 3.29Å; V267-H270 PolarHBondContact O-N 3.46Å; V267-L271 HydrophobicContact CG1-CD1 4.47Å; V267-L271 HydrophobicContact CG1-CG 4.47Å; V267-L271 WeakPolarHBondContact O-CG 3.42Å; V267-L271 PolarHBondContact O-N 3.21Å; V267-L271 VanDerWaalsContact O-N 3.13Å; V267-A599 HydrophobicContact CB-CB 4.3Å; V267-A599 HydrophobicContact CG1-CB 3.73Å; V267-A599 HydrophobicContact CG2-CB 3.85Å; V267-V601 HydrophobicContact CG2-CG2 3.77Å; V267-A615 HydrophobicContact CG2-CB 3.89Å; V267-F650 HydrophobicContact CG1-CD1 3.88Å; V267-F650 HydrophobicContact CG1-CD2 3.73Å; V267-F650 HydrophobicContact CG1-CE1 3.79Å; V267-F650 HydrophobicContact CG1-CE2 3.67Å; V267-F650 HydrophobicContact CG1-CG 3.83Å; V267-F650 HydrophobicContact CG1-CZ 3.69Å; V267-F650 HydrophobicContact CG2-CE2 4.41Å
268	L	95.9	Very high	93.1	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-58.6	-37.2	-178.4	-70.3	178.1	0	0	0	112.1	I264 H270 L271 F274 F362 L401 L404 L405 F442	I264-L268 HydrophobicContact CG2-CD1 3.93Å; I264-L268 HydrophobicContact CG2-CG 4.24Å; I264-L268 WeakPolarHBondContact O-CG 3.32Å; I264-L268 PolarHBondContact O-N 3.02Å; L268-H270 VanDerWaalsContact C-N 3.3Å; L268-H270 PolarHBondContact O-N 2.98Å; L268-L271 HydrophobicContact CD2-CD1 4.21Å; L268-L271 PolarHBondContact O-N 3.19Å; L268-F274 HydrophobicContact CB-CD1 3.99Å; L268-F274 HydrophobicContact CB-CE1 3.86Å; L268-F274 HydrophobicContact CD1-CE1 4.24Å; L268-F274 HydrophobicContact CD1-CZ 4.42Å; L268-F274 HydrophobicContact CD2-CD1 4.32Å; L268-F274 HydrophobicContact CD2-CE1 4.15Å; L268-F274 HydrophobicContact CD2-CZ 4.32Å; L268-F274 HydrophobicContact CG-CE1 4.31Å; L268-F274 WeakPolarHBondContact O-CD1 3.38Å; L268-F362 HydrophobicContact CB-CZ 3.99Å; L268-L401 HydrophobicContact CD1-CD1 4.13Å; L268-L401 HydrophobicContact CD2-CD1 3.95Å; L268-L401 HydrophobicContact CG-CD1 4.24Å; L268-L404 HydrophobicContact CD1-CD2 3.78Å; L268-L405 HydrophobicContact CD2-CD2 4.37Å; L268-F442 HydrophobicContact CD2-CZ 4.01Å
269	S	95.3	Very high	92.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-68.7	-25.4	176.9	79.3	0	0	0	0	113.7	L265 Q266 V267 R275 F362 M365 W366	L265-S269 WeakPolarHBondContact O-CB 3.41Å; L265-S269 PolarHBondContact O-N 2.86Å; L265-S269 PolarHBondContact O-OG 3.46Å; Q266-S269 PolarHBondContact O-N 3.42Å; Q266-S269 PolarHBondContact O-OG 3.04Å; V267-S269 PolarHBondContact O-N 3.29Å; S269-R275 WeakPolarHBondContact O-CB 3.35Å; S269-R275 WeakPolarHBondContact O-CD 3.33Å; S269-F362 VanDerWaalsContact CB-CE1 3.48Å; S269-M365 WeakPolarHBondContact OG-CE 3.3Å; S269-W366 WeakPolarHBondContact O-CZ2 3.22Å; S269-W366 PolarHBondContact O-NE1 3.42Å; S269-W366 VanDerWaalsContact O-NE1 3.12Å
270	H	94.9	Very high	91.3	Very high	7 Å²	7	21.5 Å²	21.5	3%	0.032	11%	0.106	C	C	.	.	H	α-helix	trans	-91	-13.5	179	-74.7	77	0	0	0	113.1	G248 Q266 V267 L268 Q272 W366 C617	G248-H270 PolarHBondContact O-CE1 3.28Å; G248-H270 PolarHBondContact O-NE2 2.68Å; Q266-H270 PolarHBondContact O-N 2.96Å; Q266-H270 PolarHBondContact O-ND1 3.24Å; V267-H270 PolarHBondContact O-N 3.46Å; L268-H270 VanDerWaalsContact C-N 3.3Å; L268-H270 PolarHBondContact O-N 2.98Å; H270-Q272 PolarHBondContact O-N 3.16Å; H270-W366 AromaticContact CD2-CZ2 3.78Å; H270-W366 AromaticContact CG-CZ2 3.95Å; H270-W366 AromaticContact NE2-CZ2 3.92Å; H270-C617 HydrophobicContact CB-CB 3.78Å; H270-C617 VanDerWaalsContact CG-CB 3.45Å
271	L	93.6	Very high	89.8	Confident	5 Å²	5	22.2 Å²	22.2	3%	0.026	11%	0.11	C	C	.	.	S	Bend	trans	-72.1	98	170.1	-64.8	178.6	0	0	0	109.7	V267 L268 K273 F274 R275 F442 V545 F650	V267-L271 HydrophobicContact CG1-CD1 4.47Å; V267-L271 HydrophobicContact CG1-CG 4.47Å; V267-L271 WeakPolarHBondContact O-CG 3.42Å; V267-L271 PolarHBondContact O-N 3.21Å; V267-L271 VanDerWaalsContact O-N 3.13Å; L268-L271 HydrophobicContact CD2-CD1 4.21Å; L268-L271 PolarHBondContact O-N 3.19Å; L271-K273 PolarHBondContact O-N 3.46Å; L271-F274 HydrophobicContact CB-CB 3.94Å; L271-F274 WeakPolarHBondContact O-CA 3.37Å; L271-F274 WeakPolarHBondContact O-CB 2.89Å; L271-F274 PolarHBondContact O-N 3.35Å; L271-R275 PolarHBondContact O-N 2.9Å; L271-F442 HydrophobicContact CD1-CE1 3.68Å; L271-F442 HydrophobicContact CD1-CZ 3.61Å; L271-V545 HydrophobicContact CD1-CG1 4.19Å; L271-V545 HydrophobicContact CD2-CG1 4.1Å; L271-V545 HydrophobicContact CD2-CG2 4.43Å; L271-F650 HydrophobicContact CD1-CD1 4.2Å
272	Q	89.9	Confident	87.6	Confident	89 Å²	89	27.1 Å²	27.1	42%	0.416	14%	0.136	S	C	.	.	H	α-helix	trans	-44.7	-54.3	-171.2	179.8	176.7	0.2	0	0	114.2	H270 F274 R275 E276 T620	H270-Q272 PolarHBondContact O-N 3.16Å; Q272-F274 VanDerWaalsContact C-N 3.29Å; Q272-F274 PolarHBondContact O-N 2.9Å; Q272-R275 PolarHBondContact O-N 3.33Å; Q272-E276 HydrophobicContact CG-CG 4.32Å; Q272-E276 WeakPolarHBondContact CG-OE1 3.44Å; Q272-E276 PolarHBondContact NE2-OE1 3.05Å; Q272-E276 WeakPolarHBondContact O-CB 3.28Å; Q272-E276 VanDerWaalsContact O-CG 3.29Å; Q272-E276 WeakPolarHBondContact O-CG 3.42Å; Q272-E276 PolarHBondContact O-N 3.43Å; Q272-T620 HydrophobicContact CB-CG2 4.49Å
273	K	87.5	Confident	85.3	Confident	74 Å²	74	28.6 Å²	28.6	32%	0.322	15%	0.146	S	C	.	.	H	α-helix	trans	-64.6	-34.1	-178.2	-69.3	179.5	176	164.2	0	112.9	L271 C277 I441	L271-K273 PolarHBondContact O-N 3.46Å; K273-C277 VanDerWaalsContact O-CB 3.24Å; K273-C277 WeakPolarHBondContact O-CB 3.31Å; K273-C277 PolarHBondContact O-N 3.02Å; K273-I441 HydrophobicContact CB-CD1 3.82Å; K273-I441 HydrophobicContact CB-CG1 4.27Å
274	F	89.3	Confident	82.6	Confident	1 Å²	1	32.3 Å²	32.3	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-70.7	-49.3	176	-169.7	-95.6	0	0	0	109.9	L268 L271 Q272 E276 C277 F278 F362 L405 V438 I441 F442	L268-F274 HydrophobicContact CB-CD1 3.99Å; L268-F274 HydrophobicContact CB-CE1 3.86Å; L268-F274 HydrophobicContact CD1-CE1 4.24Å; L268-F274 HydrophobicContact CD1-CZ 4.42Å; L268-F274 HydrophobicContact CD2-CD1 4.32Å; L268-F274 HydrophobicContact CD2-CE1 4.15Å; L268-F274 HydrophobicContact CD2-CZ 4.32Å; L268-F274 HydrophobicContact CG-CE1 4.31Å; L268-F274 WeakPolarHBondContact O-CD1 3.38Å; L271-F274 HydrophobicContact CB-CB 3.94Å; L271-F274 WeakPolarHBondContact O-CA 3.37Å; L271-F274 WeakPolarHBondContact O-CB 2.89Å; L271-F274 PolarHBondContact O-N 3.35Å; Q272-F274 VanDerWaalsContact C-N 3.29Å; Q272-F274 PolarHBondContact O-N 2.9Å; F274-E276 PolarHBondContact O-N 2.93Å; F274-C277 VanDerWaalsContact O-CB 3.27Å; F274-C277 WeakPolarHBondContact O-CB 3.16Å; F274-C277 PolarHBondContact O-N 3.37Å; F274-F278 HydrophobicContact CD1-CD2 4.09Å; F274-F278 HydrophobicContact CD1-CE2 4.19Å; F274-F278 HydrophobicContact CD2-CE2 4.22Å; F274-F278 AromaticContact CE1-CD2 3.82Å; F274-F278 HydrophobicContact CE1-CD2 3.82Å; F274-F278 AromaticContact CE1-CE2 3.61Å; F274-F278 HydrophobicContact CE1-CE2 3.61Å; F274-F278 HydrophobicContact CE2-CD2 4.45Å; F274-F278 AromaticContact CE2-CE2 3.66Å; F274-F278 HydrophobicContact CE2-CE2 3.66Å; F274-F278 HydrophobicContact CG-CE2 4.47Å; F274-F278 HydrophobicContact CZ-CD2 4.03Å; F274-F278 AromaticContact CZ-CE2 3.33Å; F274-F278 HydrophobicContact CZ-CE2 3.33Å; F274-F278 HydrophobicContact CZ-CZ 4.06Å; F274-F278 WeakPolarHBondContact O-CD2 3.4Å; F274-F278 PolarHBondContact O-N 2.95Å; F274-F362 AromaticContact CD1-CE2 3.79Å; F274-F362 HydrophobicContact CD1-CE2 3.79Å; F274-F362 HydrophobicContact CD1-CZ 4.19Å; F274-F362 AromaticContact CE1-CE2 3.73Å; F274-F362 HydrophobicContact CE1-CE2 3.73Å; F274-F362 AromaticContact CE1-CZ 3.93Å; F274-F362 HydrophobicContact CE1-CZ 3.93Å; F274-L405 HydrophobicContact CE2-CD2 3.8Å; F274-L405 HydrophobicContact CZ-CD2 3.92Å; F274-V438 HydrophobicContact CE2-CG2 4.23Å; F274-I441 HydrophobicContact CB-CD1 4.11Å; F274-I441 HydrophobicContact CD2-CD1 4.38Å; F274-F442 AromaticContact CD2-CE2 3.67Å; F274-F442 HydrophobicContact CD2-CE2 3.67Å; F274-F442 HydrophobicContact CD2-CZ 4.15Å; F274-F442 AromaticContact CE2-CE2 3.92Å; F274-F442 HydrophobicContact CE2-CE2 3.92Å
275	R	90.8	Very high	79.8	Confident	6 Å²	6	36 Å²	36	2%	0.023	19%	0.194	C	C	.	.	H	α-helix	trans	-54.7	-54	175.7	-179.4	-169.3	65.6	-150.1	7.6	112.3	S269 L271 Q272 C277 F278 L279 W366 E621	S269-R275 WeakPolarHBondContact O-CB 3.35Å; S269-R275 WeakPolarHBondContact O-CD 3.33Å; L271-R275 PolarHBondContact O-N 2.9Å; Q272-R275 PolarHBondContact O-N 3.33Å; R275-C277 PolarHBondContact O-N 3.09Å; R275-F278 PolarHBondContact O-N 3.43Å; R275-L279 HydrophobicContact CG-CD1 3.72Å; R275-L279 HydrophobicContact CG-CG 4.1Å; R275-L279 WeakPolarHBondContact O-CG 3.37Å; R275-L279 PolarHBondContact O-N 2.84Å; R275-W366 VanDerWaalsContact CD-CD2 3.48Å; R275-W366 VanDerWaalsContact CD-CE2 3.45Å; R275-E621 IonicContact CZ-OE1 3.76Å; R275-E621 IonicContact NH2-OE1 3.67Å; R275-E621 PolarHBondContact NH2-OE1 3.33Å
276	E	86.1	Confident	76.9	Confident	74 Å²	74	39.9 Å²	39.9	35%	0.346	22%	0.222	S	C	.	.	H	α-helix	trans	-58.2	-38.9	-179.2	-74.5	171.5	-176.1	0	0	111.6	Q272 F274 F278 L279 N280	Q272-E276 HydrophobicContact CG-CG 4.32Å; Q272-E276 WeakPolarHBondContact CG-OE1 3.44Å; Q272-E276 PolarHBondContact NE2-OE1 3.05Å; Q272-E276 WeakPolarHBondContact O-CB 3.28Å; Q272-E276 VanDerWaalsContact O-CG 3.29Å; Q272-E276 WeakPolarHBondContact O-CG 3.42Å; Q272-E276 PolarHBondContact O-N 3.43Å; F274-E276 PolarHBondContact O-N 2.93Å; E276-F278 VanDerWaalsContact C-N 3.3Å; E276-F278 PolarHBondContact O-N 3.47Å; E276-L279 PolarHBondContact O-N 3.46Å; E276-N280 VanDerWaalsContact O-CB 3.25Å; E276-N280 WeakPolarHBondContact O-CB 3.32Å; E276-N280 PolarHBondContact O-N 2.96Å; E276-N280 PolarHBondContact O-ND2 3.39Å
277	C	83	Confident	73.8	Confident	11 Å²	11	45.9 Å²	45.9	7%	0.074	25%	0.25	C	C	.	.	H	α-helix	trans	-58.2	-43.1	175.9	-171.7	0	0	0	0	112	K273 F274 R275 V434 V437	K273-C277 VanDerWaalsContact O-CB 3.24Å; K273-C277 WeakPolarHBondContact O-CB 3.31Å; K273-C277 PolarHBondContact O-N 3.02Å; F274-C277 VanDerWaalsContact O-CB 3.27Å; F274-C277 WeakPolarHBondContact O-CB 3.16Å; F274-C277 PolarHBondContact O-N 3.37Å; R275-C277 PolarHBondContact O-N 3.09Å; C277-V434 WeakPolarHBondContact SG-CA 3.15Å; C277-V434 VanDerWaalsContact SG-CB 3.55Å; C277-V434 WeakPolarHBondContact SG-CG1 3.14Å; C277-V434 WeakPolarHBondContact SG-CG2 3.49Å; C277-V437 HydrophobicContact CB-CG1 3.9Å
278	F	80.9	Confident	70.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-78.2	-37.8	177.7	-80	-88	0	0	0	112.9	F274 R275 E276 N280 L281 C355 L358 H359 F362 V408 V438	F274-F278 HydrophobicContact CD1-CD2 4.09Å; F274-F278 HydrophobicContact CD1-CE2 4.19Å; F274-F278 HydrophobicContact CD2-CE2 4.22Å; F274-F278 AromaticContact CE1-CD2 3.82Å; F274-F278 HydrophobicContact CE1-CD2 3.82Å; F274-F278 AromaticContact CE1-CE2 3.61Å; F274-F278 HydrophobicContact CE1-CE2 3.61Å; F274-F278 HydrophobicContact CE2-CD2 4.45Å; F274-F278 AromaticContact CE2-CE2 3.66Å; F274-F278 HydrophobicContact CE2-CE2 3.66Å; F274-F278 HydrophobicContact CG-CE2 4.47Å; F274-F278 HydrophobicContact CZ-CD2 4.03Å; F274-F278 AromaticContact CZ-CE2 3.33Å; F274-F278 HydrophobicContact CZ-CE2 3.33Å; F274-F278 HydrophobicContact CZ-CZ 4.06Å; F274-F278 WeakPolarHBondContact O-CD2 3.4Å; F274-F278 PolarHBondContact O-N 2.95Å; R275-F278 PolarHBondContact O-N 3.43Å; E276-F278 VanDerWaalsContact C-N 3.3Å; E276-F278 PolarHBondContact O-N 3.47Å; F278-N280 VanDerWaalsContact C-N 3.25Å; F278-N280 PolarHBondContact O-N 2.92Å; F278-L281 HydrophobicContact CD1-CD1 3.59Å; F278-L281 HydrophobicContact CE1-CD1 3.97Å; F278-L281 HydrophobicContact CG-CD1 4.22Å; F278-L281 WeakPolarHBondContact O-CB 3.19Å; F278-L281 PolarHBondContact O-N 2.99Å; F278-C355 HydrophobicContact CE1-CB 4.19Å; F278-L358 HydrophobicContact CD1-CB 3.88Å; F278-L358 HydrophobicContact CE1-CB 3.97Å; F278-L358 HydrophobicContact CE1-CD1 3.97Å; F278-L358 HydrophobicContact CZ-CD1 3.98Å; F278-H359 PolarHBondContact O-ND1 3.43Å; F278-F362 HydrophobicContact CB-CD2 3.89Å; F278-F362 HydrophobicContact CB-CE2 4.32Å; F278-F362 HydrophobicContact CD2-CE2 4.29Å; F278-F362 HydrophobicContact CG-CD2 4.4Å; F278-F362 HydrophobicContact CG-CE2 4.37Å; F278-V408 HydrophobicContact CZ-CG1 3.75Å; F278-V438 HydrophobicContact CE2-CG2 4.38Å
279	L	80.5	Confident	67.7	Low	58 Å²	58	60.1 Å²	60.1	30%	0.304	32%	0.319	S	S	.	.	H	α-helix	trans	-65.7	-29.6	177.4	-69	-180	0	0	0	112.7	R275 E276 F362 R363	R275-L279 HydrophobicContact CG-CD1 3.72Å; R275-L279 HydrophobicContact CG-CG 4.1Å; R275-L279 WeakPolarHBondContact O-CG 3.37Å; R275-L279 PolarHBondContact O-N 2.84Å; E276-L279 PolarHBondContact O-N 3.46Å; L279-F362 HydrophobicContact CD2-CB 4.18Å; L279-R363 HydrophobicContact CD2-CB 3.99Å
280	N	70.8	Confident	64.5	Low	111 Å²	111	70 Å²	70	59%	0.594	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-9	176.5	-67.7	-32.7	0	0	0	113.6	E276 F278 D282 L430	E276-N280 VanDerWaalsContact O-CB 3.25Å; E276-N280 WeakPolarHBondContact O-CB 3.32Å; E276-N280 PolarHBondContact O-N 2.96Å; E276-N280 PolarHBondContact O-ND2 3.39Å; F278-N280 VanDerWaalsContact C-N 3.25Å; F278-N280 PolarHBondContact O-N 2.92Å; N280-D282 PolarHBondContact O-N 3.47Å; N280-L430 WeakPolarHBondContact O-CD2 3.38Å
281	L	64.2	Low	61.3	Low	21 Å²	21	75.2 Å²	75.2	11%	0.11	40%	0.397	C	S	.	.			trans	-67.7	113.5	167.9	-72.8	166.7	0	0	0	107.9	F278 P283 H359 L430 V434	F278-L281 HydrophobicContact CD1-CD1 3.59Å; F278-L281 HydrophobicContact CE1-CD1 3.97Å; F278-L281 HydrophobicContact CG-CD1 4.22Å; F278-L281 WeakPolarHBondContact O-CB 3.19Å; F278-L281 PolarHBondContact O-N 2.99Å; L281-P283 WeakPolarHBondContact O-CD 3.4Å; L281-H359 PolarHBondContact O-CE1 2.74Å; L281-H359 PolarHBondContact O-ND1 3Å; L281-L430 HydrophobicContact CD2-CD2 4.5Å; L281-L430 HydrophobicContact CD2-CG 4.25Å; L281-V434 HydrophobicContact CD1-CG1 4.18Å; L281-V434 HydrophobicContact CD1-CG2 4.47Å; L281-V434 HydrophobicContact CD2-CB 4.1Å; L281-V434 HydrophobicContact CD2-CG1 4.15Å; L281-V434 HydrophobicContact CD2-CG2 3.43Å; L281-V434 VanDerWaalsContact CD2-CG2 3.43Å; L281-V434 HydrophobicContact CG-CG1 4.42Å; L281-V434 HydrophobicContact CG-CG2 3.82Å
282	D	50.5	Low	58.1	Low	103 Å²	103	84.3 Å²	84.3	55%	0.551	44%	0.439	S	S	*	.			trans	-90.2	102.2	172.1	-130	-27.7	0	0	0	109.2	N280 S284 Q427	N280-D282 PolarHBondContact O-N 3.47Å; D282-S284 PolarHBondContact O-N 3.3Å; D282-S284 PolarHBondContact OD1-OG 3.46Å; D282-Q427 PolarHBondContact O-NE2 2.91Å
283	P	48.7	Very low	55.1	Low	32 Å²	32	84.6 Å²	84.6	21%	0.208	46%	0.457	C	S	.	.			trans	-81.7	-7.8	-178.2	-4.6	25.8	0	0	0	111.8	L281 T285 S286	L281-P283 WeakPolarHBondContact O-CD 3.4Å; P283-T285 PolarHBondContact O-N 3.48Å; P283-T285 VanDerWaalsContact O-N 3.13Å; P283-S286 PolarHBondContact O-N 3.36Å; P283-S286 PolarHBondContact O-OG 2.92Å
284	S	41.8	Very low	52.1	Low	82 Å²	82	87.4 Å²	87.4	57%	0.573	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	1.4	-165.9	57.3	0	0	0	0	115.4	D282	D282-S284 PolarHBondContact O-N 3.3Å; D282-S284 PolarHBondContact OD1-OG 3.46Å
285	T	39.4	Very low	49.1	Very low	77 Å²	77	95.4 Å²	95.4	47%	0.472	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-0	177.2	-15.6	0	0	0	0	114.5	P283 Q427	P283-T285 PolarHBondContact O-N 3.48Å; P283-T285 VanDerWaalsContact O-N 3.13Å; T285-Q427 PolarHBondContact OG1-NE2 3.1Å; T285-Q427 VanDerWaalsContact OG1-NE2 3.08Å
286	S	35.9	Very low	46	Very low	83 Å²	83	98.4 Å²	98.4	58%	0.58	56%	0.556	S	S	*	*	S	Bend	trans	-91.7	-6.3	179	69.8	0	0	0	0	115.2	P283	P283-S286 PolarHBondContact O-N 3.36Å; P283-S286 PolarHBondContact O-OG 2.92Å
287	E	34.2	Very low	43.2	Very low	128 Å²	128	105 Å²	105	60%	0.598	58%	0.584	S	S	*	*	S	Bend	trans	-95	2.2	-175.3	-81.5	-83.7	135	0	0	114.3
288	H	32.7	Very low	40.5	Very low	165 Å²	165	109.3 Å²	109.3	76%	0.764	62%	0.62	S	S	*	*	S	Bend	trans	-110.2	92.2	167.9	-76.2	-74.6	0	0	0	108.5
289	L	32.2	Very low	37.7	Very low	136 Å²	136	118.1 Å²	118.1	71%	0.712	66%	0.661	S	S	*	*			trans	168.4	91.8	150.5	-89.8	159.9	0	0	0	109.4
290	F	27.3	Very low	35.1	Very low	208 Å²	208	123.5 Å²	123.5	91%	0.912	69%	0.689	S	S	*	*			trans	-153.6	155.2	147	-85.9	-58.4	0	0	0	109.4
291	P	28.7	Very low	32.9	Very low	115 Å²	115	123.6 Å²	123.6	75%	0.747	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-87.7	145.6	-133.7	34.1	-35.1	0	0	0	113.2	A293	P291-A293 PolarHBondContact O-N 3.49Å
292	Q	26.6	Very low	30.9	Very low	196 Å²	196	126.4 Å²	126.4	92%	0.916	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-62.1	117.3	164.4	-94.2	174.4	-27.8	0	0	109.3	T294	Q292-T294 PolarHBondContact O-N 2.88Å
293	A	27.1	Very low	29.5	Very low	96 Å²	96	132.9 Å²	132.9	79%	0.793	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-62.3	133.3	166.1	0	0	0	0	0	109.5	P291 N295	P291-A293 PolarHBondContact O-N 3.49Å; A293-N295 PolarHBondContact O-N 3.06Å
294	T	23.9	Very low	29	Very low	132 Å²	132	136.7 Å²	136.7	81%	0.81	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-53.4	123	175.7	50.8	0	0	0	0	112	Q292	Q292-T294 PolarHBondContact O-N 2.88Å
295	N	26.4	Very low	28	Very low	170 Å²	170	137 Å²	137	91%	0.909	78%	0.781	S	S	*	*			trans	-104.9	106.2	145.5	-111.4	-8.3	0	0	0	106.6	A293	A293-N295 PolarHBondContact O-N 3.06Å
296	G	25.4	Very low	27.1	Very low	69 Å²	69	138 Å²	138	71%	0.711	79%	0.792	S	S	*	*			trans	-66.9	138	175.4	0	0	0	0	0	110.8
297	K	26.6	Very low	26.4	Very low	213 Å²	213	140.3 Å²	140.3	93%	0.926	80%	0.802	S	S	*	*			trans	-150.2	132.6	143.2	-106.7	172.7	-172.2	-176.3	0	108.8
298	A	26.1	Very low	25.9	Very low	100 Å²	100	138.9 Å²	138.9	83%	0.826	81%	0.807	S	S	*	*			trans	-66.2	150.6	-167.5	0	0	0	0	0	113.5
299	Q	23.5	Very low	25.4	Very low	185 Å²	185	135.2 Å²	135.2	86%	0.864	81%	0.805	S	S	*	*			trans	-46.6	136.4	165.3	-174.3	173.9	-1.8	0	0	113.1
300	L	25.2	Very low	24.9	Very low	171 Å²	171	134 Å²	134	90%	0.895	80%	0.803	S	S	*	*			trans	-154.9	145.3	145.1	-100.8	159.8	0	0	0	110
301	S	23.7	Very low	24.6	Very low	114 Å²	114	131.4 Å²	131.4	80%	0.797	79%	0.794	S	S	*	*			trans	-70.7	163.1	-162.9	52.5	0	0	0	0	117.1
302	G	23	Very low	24.2	Very low	79 Å²	79	133 Å²	133	81%	0.814	80%	0.795	S	S	*	*			trans	126.6	126.6	142.9	0	0	0	0	0	115.9
303	R	21.6	Very low	23.9	Very low	240 Å²	240	128 Å²	128	91%	0.906	78%	0.782	S	S	*	*			trans	-89.1	-171.2	177.2	-147.6	-174.7	-176.7	-172.3	1	109.2
304	P	37.3	Very low	23.7	Very low	112 Å²	112	128.7 Å²	128.7	73%	0.727	78%	0.776	S	S	*	*				-114.4	170.7	-92.6	40.1	-25.7	0	0	0	114.5
305	A	21.2	Very low	23.6	Very low	88 Å²	88	131 Å²	131	73%	0.727	78%	0.775	S	S	*	*			trans	175.7	112.5	154.1	0	0	0	0	0	108.8
306	S	21.3	Very low	23.4	Very low	98 Å²	98	127.5 Å²	127.5	69%	0.685	76%	0.764	S	S	*	*				73.4	131.4	87.7	74.9	0	0	0	0	115.4
307	T	21.5	Very low	23.2	Very low	132 Å²	132	130.7 Å²	130.7	81%	0.81	76%	0.764	S	S	*	*			trans	64.1	142.3	157.3	54.7	0	0	0	0	116.5
308	S	22.4	Very low	23	Very low	98 Å²	98	131.8 Å²	131.8	69%	0.685	76%	0.763	S	S	*	*			cis	175.5	151.7	-0.1	42	0	0	0	0	105.7
309	A	22.6	Very low	22.8	Very low	88 Å²	88	130.5 Å²	130.5	73%	0.727	75%	0.752	S	S	*	*			trans	69.3	152.9	153	0	0	0	0	0	115.9
310	T	21.2	Very low	22.7	Very low	109 Å²	109	131.2 Å²	131.2	67%	0.669	76%	0.756	S	S	*	*			cis	-167	147.6	11.2	-16.4	0	0	0	0	106.7
311	E	21.1	Very low	22.5	Very low	155 Å²	155	126.6 Å²	126.6	72%	0.724	75%	0.749	S	S	*	*			trans	65.7	120.3	136.6	-74.3	180	173.7	0	0	121.9
312	L	21.3	Very low	22.3	Very low	147 Å²	147	127.6 Å²	127.6	77%	0.77	76%	0.755	S	S	*	*				79.6	144.8	101.2	-69.4	166.5	0	0	0	112.4
313	S	20.7	Very low	22.2	Very low	93 Å²	93	131.9 Å²	131.9	65%	0.65	75%	0.753	S	S	*	*			cis	176.7	170.3	-8.7	-176.8	0	0	0	0	106.6
314	V	22.4	Very low	22.6	Very low	109 Å²	109	125.5 Å²	125.5	66%	0.661	74%	0.743	S	S	*	*			trans	88.2	110.4	148.3	-177.2	0	0	0	0	122
315	K	21.7	Very low	21.9	Very low	181 Å²	181	131.2 Å²	131.2	79%	0.787	75%	0.75	S	S	*	*				62.3	126.9	126.9	-61.3	179.6	-169.5	174.8	0	122.7
316	S	21.8	Very low	21.9	Very low	97 Å²	97	130.4 Å²	130.4	68%	0.678	75%	0.75	S	S	*	*				95.7	147.3	105.3	80.3	0	0	0	0	111.3
317	D	21.5	Very low	22	Very low	135 Å²	135	134.2 Å²	134.2	72%	0.722	76%	0.762	S	S	*	*			cis	-165	167.7	39.7	-111.3	-54.1	0	0	0	112.7
318	R	22.1	Very low	22	Very low	236 Å²	236	132.8 Å²	132.8	89%	0.891	76%	0.756	S	S	*	*			trans	-11.1	165.1	150.9	-78.7	171.6	163.4	-178.6	-3.9	119.9
319	A	22.2	Very low	22	Very low	74 Å²	74	138.6 Å²	138.6	61%	0.612	76%	0.763	S	S	*	*			cis	-178.4	175.2	-5	0	0	0	0	0	110.1
320	Q	22	Very low	22	Very low	200 Å²	200	142.5 Å²	142.5	94%	0.935	77%	0.772	S	S	*	*			trans	70.9	143.6	155.3	-71.3	163	3.9	0	0	119.1
321	G	20.6	Very low	22.1	Very low	73 Å²	73	142.7 Å²	142.7	75%	0.753	78%	0.777	S	S	*	*			cis	170.4	171.4	2	0	0	0	0	0	111.6
322	C	19.4	Very low	22.2	Very low	135 Å²	135	139 Å²	139	91%	0.912	78%	0.782	S	S	*	*			trans	81.8	107.2	159.9	-96	0	0	0	0	123.9
323	E	20.8	Very low	22.3	Very low	169 Å²	169	136.7 Å²	136.7	79%	0.79	78%	0.783	S	S	*	*				-6.8	158.5	127.3	-77.1	-82.5	138.7	0	0	118.6
324	P	30.2	Very low	22.5	Very low	106 Å²	106	138.1 Å²	138.1	69%	0.688	79%	0.793	S	S	*	*				-161.2	178	56.1	43.8	-20.9	0	0	0	121.1
325	R	22.8	Very low	22.8	Very low	233 Å²	233	140 Å²	140	88%	0.879	80%	0.798	S	S	*	*			trans	106.8	117.9	145.6	-72.9	178.2	-170.8	-122.1	-0.5	118.7
326	G	20.8	Very low	23.1	Very low	70 Å²	70	136.8 Å²	136.8	72%	0.722	80%	0.798	S	S	*	*			trans	-107.8	-162	175.9	0	0	0	0	0	117
327	L	23.5	Very low	23.6	Very low	178 Å²	178	142.1 Å²	142.1	93%	0.932	80%	0.804	S	S	*	*			trans	85	139.5	168.2	-56.6	168.3	0	0	0	116.4
328	C	21.9	Very low	24.2	Very low	102 Å²	102	140.4 Å²	140.4	69%	0.689	80%	0.802	S	S	*	*			cis	-164	135.7	-3.5	-168.8	0	0	0	0	110.3
329	W	21	Very low	24.9	Very low	220 Å²	220	132.5 Å²	132.5	83%	0.833	78%	0.777	S	S	*	*			trans	22.9	129.1	141.4	-58.4	48.9	0	0	0	121.7
330	N	23.8	Very low	25.6	Very low	171 Å²	171	133 Å²	133	91%	0.914	77%	0.767	S	S	*	*				-155.2	136.7	116.9	-104.6	-8.9	0	0	0	113
331	S	22.3	Very low	26.5	Very low	112 Å²	112	125.7 Å²	125.7	78%	0.783	73%	0.734	S	S	*	*			trans	-74.8	154.4	-175.1	-77.6	0	0	0	0	114.8
332	G	23.4	Very low	27.4	Very low	79 Å²	79	127.6 Å²	127.6	81%	0.814	73%	0.726	S	S	*	*			trans	137	84.4	138.2	0	0	0	0	0	116.8
333	A	24.3	Very low	28.3	Very low	97 Å²	97	123.6 Å²	123.6	80%	0.802	69%	0.694	S	S	*	*			trans	-169.9	133.4	144.9	0	0	0	0	0	110.7	I335	A333-I335 PolarHBondContact O-N 2.89Å
334	S	24.6	Very low	28.7	Very low	123 Å²	123	122.6 Å²	122.6	86%	0.86	69%	0.694	S	S	*	*			trans	-46.8	124.3	-176.5	-72.3	0	0	0	0	114.9	S336	S334-S336 PolarHBondContact O-N 3.09Å; S334-S336 VanDerWaalsContact O-N 3.1Å
335	I	28.1	Very low	29.1	Very low	149 Å²	149	126.3 Å²	126.3	76%	0.764	70%	0.699	S	S	*	*			trans	-77.8	90.8	165.9	-57.6	171.9	0	0	0	107.9	A333 R337	A333-I335 PolarHBondContact O-N 2.89Å; I335-R337 HydrophobicContact CG2-CG 3.91Å; I335-R337 PolarHBondContact O-N 3.05Å
336	S	27.3	Very low	29.5	Very low	113 Å²	113	123 Å²	123	79%	0.79	69%	0.694	S	S	*	*			trans	-81.3	101.1	159	-154.2	0	0	0	0	107.2	S334 S338	S334-S336 PolarHBondContact O-N 3.09Å; S334-S336 VanDerWaalsContact O-N 3.1Å; S336-S338 PolarHBondContact O-N 3.46Å
337	R	32.9	Very low	30.2	Very low	209 Å²	209	125 Å²	125	79%	0.789	69%	0.694	S	S	*	*			trans	-71.7	109	-179.6	-101.3	172.3	178.2	174.5	-1.8	109.6	I335 L339	I335-R337 HydrophobicContact CG2-CG 3.91Å; I335-R337 PolarHBondContact O-N 3.05Å; R337-L339 PolarHBondContact O-N 3.42Å
338	S	33.5	Very low	30.8	Very low	100 Å²	100	121.6 Å²	121.6	70%	0.699	69%	0.685	S	S	*	*			trans	-61.4	123.2	175.3	-55.1	0	0	0	0	112.7	S336 E340	S336-S338 PolarHBondContact O-N 3.46Å; S338-E340 VanDerWaalsContact C-N 3.27Å; S338-E340 PolarHBondContact O-N 2.88Å
339	L	37.6	Very low	31.8	Very low	69 Å²	69	118.8 Å²	118.8	36%	0.361	67%	0.667	S	S	.	*			trans	-91.8	44.1	168.7	-89.6	147.3	0	0	0	110.6	P243 R337	P243-L339 HydrophobicContact CG-CD1 4.42Å; R337-L339 PolarHBondContact O-N 3.42Å
340	E	37	Very low	33	Very low	84 Å²	84	119.2 Å²	119.2	39%	0.393	67%	0.674	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110	120.6	-176.7	-65.1	-170.6	136.2	0	0	110.1	R253 S338 I342 L372	R253-E340 IonicContact NH2-OE1 2.66Å; R253-E340 PolarHBondContact NH2-OE1 2.94Å; R253-E340 IonicContact NH2-OE2 3.99Å; S338-E340 VanDerWaalsContact C-N 3.27Å; S338-E340 PolarHBondContact O-N 2.88Å; E340-I342 PolarHBondContact O-N 3.26Å; E340-L372 HydrophobicContact CG-CD2 4.5Å
341	L	39.7	Very low	34.5	Very low	48 Å²	48	115.9 Å²	115.9	25%	0.251	65%	0.653	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.5	99.9	162.1	-169.9	87.7	0	0	0	107.6	Q343 V364 W370	L341-Q343 HydrophobicContact CD2-CG 3.86Å; L341-Q343 PolarHBondContact O-N 3.44Å; L341-V364 HydrophobicContact CD2-CG1 4.12Å; L341-W370 HydrophobicContact CB-CD2 3.63Å; L341-W370 HydrophobicContact CB-CE3 3.51Å; L341-W370 HydrophobicContact CB-CG 4.29Å; L341-W370 HydrophobicContact CB-CH2 3.91Å; L341-W370 HydrophobicContact CB-CZ2 4.06Å; L341-W370 HydrophobicContact CB-CZ3 3.64Å; L341-W370 HydrophobicContact CD1-CD2 4.48Å; L341-W370 HydrophobicContact CD1-CH2 3.42Å; L341-W370 VanDerWaalsContact CD1-CH2 3.42Å; L341-W370 HydrophobicContact CD1-CZ2 3.33Å; L341-W370 HydrophobicContact CD1-CZ3 4.07Å; L341-W370 HydrophobicContact CG-CH2 4.27Å; L341-W370 HydrophobicContact CG-CZ2 4.21Å; L341-W370 HydrophobicContact CG-CZ3 4.48Å
342	I	39.6	Very low	36.8	Very low	112 Å²	112	114.2 Å²	114.2	57%	0.574	64%	0.635	S	S	*	*			trans	-79.6	107.4	158.8	-57.9	173.7	0	0	0	104.9	E340 N344	E340-I342 PolarHBondContact O-N 3.26Å; I342-N344 PolarHBondContact O-N 3.3Å
343	Q	38.1	Very low	39.7	Very low	52 Å²	52	111 Å²	111	24%	0.243	60%	0.6	C	S	.	*			trans	-59.4	110.6	169.1	-74	-176.1	-20.7	0	0	107.4	L341	L341-Q343 HydrophobicContact CD2-CG 3.86Å; L341-Q343 PolarHBondContact O-N 3.44Å
344	N	29.9	Very low	42.6	Very low	147 Å²	147	106.4 Å²	106.4	79%	0.786	56%	0.562	S	S	*	*			trans	-61.9	139.4	174.7	-81.5	-20.1	0	0	0	109.4	I342 E346	I342-N344 PolarHBondContact O-N 3.3Å; N344-E346 PolarHBondContact O-N 3.45Å
345	K	39.3	Very low	45.5	Very low	185 Å²	185	101 Å²	101	80%	0.804	52%	0.523	S	S	*	.	S	Bend	trans	-45.1	125.3	165.7	-114.6	177.5	173.4	-176.3	0	109.6
346	E	31.7	Very low	48.1	Very low	163 Å²	163	97.5 Å²	97.5	76%	0.762	50%	0.504	S	S	*	.			trans	157.1	100.1	148.4	-85	-69.2	135.9	0	0	107.5	N344 S348	N344-E346 PolarHBondContact O-N 3.45Å; E346-S348 PolarHBondContact O-N 2.99Å; E346-S348 VanDerWaalsContact O-N 3.12Å
347	P	33.6	Very low	51	Low	113 Å²	113	93.7 Å²	93.7	73%	0.734	47%	0.473	S	S	*	.			trans	-73	98.8	163.2	28.7	-27.6	0	0	0	107.7	S349	P347-S349 PolarHBondContact O-N 3.4Å; P347-S349 VanDerWaalsContact O-N 3.16Å
348	S	37.3	Very low	53.8	Low	105 Å²	105	83.7 Å²	83.7	73%	0.734	44%	0.436	S	S	*	.			trans	-72.9	3	175.8	85.9	0	0	0	0	113.4	E346	E346-S348 PolarHBondContact O-N 2.99Å; E346-S348 VanDerWaalsContact O-N 3.12Å
349	S	43	Very low	56.3	Low	44 Å²	44	79.2 Å²	79.2	31%	0.308	40%	0.404	S	S	.	.			trans	-108.1	127.2	177.5	62.3	0	0	0	0	111.9	P347 H351	P347-S349 PolarHBondContact O-N 3.4Å; P347-S349 VanDerWaalsContact O-N 3.16Å; S349-H351 PolarHBondContact O-N 2.84Å; S349-H351 PolarHBondContact OG-O 2.95Å
350	K	45.2	Very low	58.7	Low	229 Å²	229	77 Å²	77	100%	0.996	39%	0.393	S	S	*	.	S	Bend	trans	-65.2	3.3	174.3	-67	176.9	178.9	175	0	114.2
351	H	55.1	Low	61.3	Low	100 Å²	100	73.2 Å²	73.2	46%	0.463	38%	0.375	S	S	.	.			trans	-128.6	120.9	-175.4	-160.5	-87.8	0	0	0	110	S349 R419	S349-H351 PolarHBondContact O-N 2.84Å; S349-H351 PolarHBondContact OG-O 2.95Å; H351-R419 PolarHBondContact CD2-NH2 3.18Å; H351-R419 PolarHBondContact NE2-NH2 3.08Å
352	I	71.9	Confident	63.8	Low	78 Å²	78	70.9 Å²	70.9	40%	0.4	36%	0.363	S	S	.	.			trans	-85.8	124.2	173.8	-57.7	174.9	0	0	0	106.8	S381 S384 L385	I352-S381 WeakPolarHBondContact CG2-OG 3.31Å; I352-S384 VanDerWaalsContact CD1-OG 3.31Å; I352-S384 WeakPolarHBondContact CD1-OG 3.49Å; I352-L385 HydrophobicContact CG2-CD1 3.72Å; I352-L385 HydrophobicContact CG2-CG 4.1Å
353	S	83.3	Confident	66.2	Low	12 Å²	12	71.6 Å²	71.6	8%	0.084	36%	0.359	C	S	.	.			trans	-138.1	125.7	175.6	168.2	0	0	0	0	110.6	C355 H356 E357 E411	S353-C355 VanDerWaalsContact C-N 3.25Å; S353-C355 PolarHBondContact O-N 3.44Å; S353-C355 PolarHBondContact OG-N 2.99Å; S353-H356 PolarHBondContact O-N 2.96Å; S353-H356 PolarHBondContact OG-N 2.75Å; S353-E357 PolarHBondContact O-N 3.23Å; S353-E411 PolarHBondContact OG-OE2 3.13Å
354	L	86.4	Confident	68.7	Low	0 Å²	0	70 Å²	70	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-63.1	-34.9	173.7	-69.1	167.2	0	0	0	111.5	H356 E357 L358 M378 V382 L385 I386 L404 K407 V408 E411	L354-H356 PolarHBondContact O-N 2.92Å; L354-E357 PolarHBondContact O-N 3.09Å; L354-L358 WeakPolarHBondContact O-CB 3.32Å; L354-L358 WeakPolarHBondContact O-CG 3.38Å; L354-L358 PolarHBondContact O-N 3.17Å; L354-M378 HydrophobicContact CD2-SD 4.21Å; L354-V382 HydrophobicContact CD2-CG2 3.92Å; L354-L385 HydrophobicContact CD1-CB 4.31Å; L354-L385 HydrophobicContact CD1-CD1 4.11Å; L354-L385 HydrophobicContact CD2-CD1 4.33Å; L354-L385 HydrophobicContact CG-CD1 3.66Å; L354-I386 HydrophobicContact CD1-CD1 4.25Å; L354-I386 HydrophobicContact CD1-CG1 4.46Å; L354-L404 HydrophobicContact CD1-CD1 4.27Å; L354-L404 HydrophobicContact CD2-CD1 4.26Å; L354-K407 HydrophobicContact CD1-CB 3.67Å; L354-V408 HydrophobicContact CB-CG2 4.13Å; L354-E411 PolarHBondContact N-OE1 3.36Å; L354-E411 PolarHBondContact N-OE2 3.21Å
355	C	85.4	Confident	71.7	Confident	8 Å²	8	63 Å²	63	5%	0.054	32%	0.315	C	S	.	.	H	α-helix	trans	-63.5	-42	178.5	-61	0	0	0	0	112.1	F278 S353 H359 E411	F278-C355 HydrophobicContact CE1-CB 4.19Å; S353-C355 VanDerWaalsContact C-N 3.25Å; S353-C355 PolarHBondContact O-N 3.44Å; S353-C355 PolarHBondContact OG-N 2.99Å; C355-H359 WeakPolarHBondContact O-CB 3.34Å; C355-H359 PolarHBondContact O-N 2.77Å; C355-E411 PolarHBondContact N-OE2 3.21Å; C355-E411 PolarHBondContact SG-OE2 2.81Å
356	H	83.3	Confident	74.2	Confident	76 Å²	76	55.2 Å²	55.2	35%	0.352	28%	0.281	S	S	.	.	H	α-helix	trans	-65.6	-44	176.5	-176.5	75.7	0	0	0	111.9	S353 L354 H359 T360	S353-H356 PolarHBondContact O-N 2.96Å; S353-H356 PolarHBondContact OG-N 2.75Å; L354-H356 PolarHBondContact O-N 2.92Å; H356-H359 PolarHBondContact O-N 2.93Å; H356-T360 WeakPolarHBondContact O-CB 3.47Å; H356-T360 PolarHBondContact O-N 3.35Å; H356-T360 PolarHBondContact O-OG1 2.82Å
357	E	88	Confident	76.9	Confident	33 Å²	33	49.6 Å²	49.6	15%	0.154	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-40.4	177.5	-67.7	-54.8	149	0	0	112.1	S353 L354 T360 L361 A377 M378 S381	S353-E357 PolarHBondContact O-N 3.23Å; L354-E357 PolarHBondContact O-N 3.09Å; E357-T360 PolarHBondContact O-N 3.09Å; E357-L361 WeakPolarHBondContact O-CB 3.48Å; E357-L361 PolarHBondContact O-N 2.91Å; E357-A377 WeakPolarHBondContact OE2-CB 3.29Å; E357-M378 HydrophobicContact CB-CE 3.68Å; E357-M378 HydrophobicContact CB-SD 4.01Å; E357-S381 WeakPolarHBondContact CG-OG 3.36Å
358	L	90.3	Very high	79.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-46.9	175.6	-78.5	172.5	0	0	0	111	L265 F278 L354 L361 F362 M378 V408	L265-L358 HydrophobicContact CD2-CD2 3.74Å; F278-L358 HydrophobicContact CD1-CB 3.88Å; F278-L358 HydrophobicContact CE1-CB 3.97Å; F278-L358 HydrophobicContact CE1-CD1 3.97Å; F278-L358 HydrophobicContact CZ-CD1 3.98Å; L354-L358 WeakPolarHBondContact O-CB 3.32Å; L354-L358 WeakPolarHBondContact O-CG 3.38Å; L354-L358 PolarHBondContact O-N 3.17Å; L358-L361 PolarHBondContact O-N 3.28Å; L358-F362 HydrophobicContact CD2-CE1 4.13Å; L358-F362 HydrophobicContact CD2-CZ 3.89Å; L358-F362 WeakPolarHBondContact O-CB 3.44Å; L358-F362 WeakPolarHBondContact O-CG 3.34Å; L358-F362 PolarHBondContact O-N 3.27Å; L358-M378 HydrophobicContact CB-CE 4.16Å; L358-M378 HydrophobicContact CD2-CE 3.45Å; L358-M378 VanDerWaalsContact CD2-CE 3.45Å; L358-M378 HydrophobicContact CG-CE 3.58Å; L358-V408 HydrophobicContact CD1-CG2 3.58Å
359	H	87.5	Confident	81.7	Confident	6 Å²	6	46.2 Å²	46.2	3%	0.028	22%	0.222	C	C	.	.	H	α-helix	trans	-56.1	-52.7	175.2	169.9	91.2	0	0	0	111.3	F278 L281 C355 H356 L361 F362 R363	F278-H359 PolarHBondContact O-ND1 3.43Å; L281-H359 PolarHBondContact O-CE1 2.74Å; L281-H359 PolarHBondContact O-ND1 3Å; C355-H359 WeakPolarHBondContact O-CB 3.34Å; C355-H359 PolarHBondContact O-N 2.77Å; H356-H359 PolarHBondContact O-N 2.93Å; H359-L361 PolarHBondContact O-N 2.84Å; H359-F362 PolarHBondContact O-N 2.93Å; H359-R363 PolarHBondContact NE2-NH1 2.99Å; H359-R363 VanDerWaalsContact O-CB 3.31Å; H359-R363 WeakPolarHBondContact O-CB 3.17Å; H359-R363 PolarHBondContact O-N 3.42Å
360	T	87.1	Confident	83.8	Confident	21 Å²	21	47.4 Å²	47.4	13%	0.129	22%	0.22	C	C	.	.	H	α-helix	trans	-62.8	-45.2	-176.9	-67.9	0	0	0	0	110.9	H356 E357 R363 V364	H356-T360 WeakPolarHBondContact O-CB 3.47Å; H356-T360 PolarHBondContact O-N 3.35Å; H356-T360 PolarHBondContact O-OG1 2.82Å; E357-T360 PolarHBondContact O-N 3.09Å; T360-R363 PolarHBondContact O-N 3.48Å; T360-V364 VanDerWaalsContact O-CG2 3.3Å; T360-V364 WeakPolarHBondContact O-CG2 3.35Å; T360-V364 PolarHBondContact O-N 2.81Å; T360-V364 VanDerWaalsContact O-N 3.09Å
361	L	90.9	Very high	85.8	Confident	5 Å²	5	38.3 Å²	38.3	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-63	-48	179	-177.2	60.6	0	0	0	111.7	L252 L265 E357 L358 H359 R363 V364 M365 V373 P375 M378	L252-L361 HydrophobicContact CD2-CD1 4.05Å; L265-L361 HydrophobicContact CD1-CD2 3.87Å; L265-L361 HydrophobicContact CD2-CD2 4.4Å; E357-L361 WeakPolarHBondContact O-CB 3.48Å; E357-L361 PolarHBondContact O-N 2.91Å; L358-L361 PolarHBondContact O-N 3.28Å; H359-L361 PolarHBondContact O-N 2.84Å; L361-R363 VanDerWaalsContact C-N 3.33Å; L361-R363 PolarHBondContact O-N 3.42Å; L361-V364 PolarHBondContact O-N 3.3Å; L361-V364 VanDerWaalsContact O-N 3.15Å; L361-M365 HydrophobicContact CD1-CG 4.26Å; L361-M365 HydrophobicContact CD1-SD 4.16Å; L361-M365 HydrophobicContact CD2-SD 4.37Å; L361-M365 HydrophobicContact CG-CG 4.39Å; L361-M365 HydrophobicContact CG-SD 3.82Å; L361-M365 WeakPolarHBondContact O-CG 3.32Å; L361-M365 PolarHBondContact O-N 3.28Å; L361-V373 HydrophobicContact CD1-CG1 3.86Å; L361-P375 HydrophobicContact CD2-CB 4.35Å; L361-M378 HydrophobicContact CD2-CE 4.32Å
362	F	92.8	Very high	87.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-40.2	179.1	-69.1	-4.4	0	0	0	112	L268 S269 F274 F278 L279 L358 H359 V364 M365 W366	L268-F362 HydrophobicContact CB-CZ 3.99Å; S269-F362 VanDerWaalsContact CB-CE1 3.48Å; F274-F362 AromaticContact CD1-CE2 3.79Å; F274-F362 HydrophobicContact CD1-CE2 3.79Å; F274-F362 HydrophobicContact CD1-CZ 4.19Å; F274-F362 AromaticContact CE1-CE2 3.73Å; F274-F362 HydrophobicContact CE1-CE2 3.73Å; F274-F362 AromaticContact CE1-CZ 3.93Å; F274-F362 HydrophobicContact CE1-CZ 3.93Å; F278-F362 HydrophobicContact CB-CD2 3.89Å; F278-F362 HydrophobicContact CB-CE2 4.32Å; F278-F362 HydrophobicContact CD2-CE2 4.29Å; F278-F362 HydrophobicContact CG-CD2 4.4Å; F278-F362 HydrophobicContact CG-CE2 4.37Å; L279-F362 HydrophobicContact CD2-CB 4.18Å; L358-F362 HydrophobicContact CD2-CE1 4.13Å; L358-F362 HydrophobicContact CD2-CZ 3.89Å; L358-F362 WeakPolarHBondContact O-CB 3.44Å; L358-F362 WeakPolarHBondContact O-CG 3.34Å; L358-F362 PolarHBondContact O-N 3.27Å; H359-F362 PolarHBondContact O-N 2.93Å; F362-V364 VanDerWaalsContact C-N 3.27Å; F362-V364 PolarHBondContact O-N 2.86Å; F362-M365 HydrophobicContact CD1-SD 4.43Å; F362-M365 PolarHBondContact O-N 3.44Å; F362-W366 WeakPolarHBondContact O-CB 3.31Å; F362-W366 PolarHBondContact O-N 3.18Å
363	R	89.9	Confident	88.4	Confident	126 Å²	126	31 Å²	31	48%	0.475	15%	0.153	S	C	.	.	H	α-helix	trans	-60.8	-38	175.5	-173.3	175.9	63.5	-164.8	-0.5	111.9	L279 H359 T360 L361 S367	L279-R363 HydrophobicContact CD2-CB 3.99Å; H359-R363 PolarHBondContact NE2-NH1 2.99Å; H359-R363 VanDerWaalsContact O-CB 3.31Å; H359-R363 WeakPolarHBondContact O-CB 3.17Å; H359-R363 PolarHBondContact O-N 3.42Å; T360-R363 PolarHBondContact O-N 3.48Å; L361-R363 VanDerWaalsContact C-N 3.33Å; L361-R363 PolarHBondContact O-N 3.42Å; R363-S367 VanDerWaalsContact O-CB 3.3Å; R363-S367 WeakPolarHBondContact O-CB 3.35Å; R363-S367 PolarHBondContact O-N 2.87Å
364	V	90.4	Very high	88.7	Confident	19 Å²	19	31.3 Å²	31.3	12%	0.115	16%	0.155	C	C	.	.	H	α-helix	trans	-70.9	-48.6	176.3	178	0	0	0	0	110.7	L341 T360 L361 F362 W366 S367 W370 V373	L341-V364 HydrophobicContact CD2-CG1 4.12Å; T360-V364 VanDerWaalsContact O-CG2 3.3Å; T360-V364 WeakPolarHBondContact O-CG2 3.35Å; T360-V364 PolarHBondContact O-N 2.81Å; T360-V364 VanDerWaalsContact O-N 3.09Å; L361-V364 PolarHBondContact O-N 3.3Å; L361-V364 VanDerWaalsContact O-N 3.15Å; F362-V364 VanDerWaalsContact C-N 3.27Å; F362-V364 PolarHBondContact O-N 2.86Å; V364-W366 VanDerWaalsContact C-N 3.3Å; V364-W366 PolarHBondContact O-N 3.15Å; V364-S367 WeakPolarHBondContact O-CB 3.18Å; V364-S367 PolarHBondContact O-N 3.44Å; V364-S367 PolarHBondContact O-OG 2.92Å; V364-W370 HydrophobicContact CG1-CB 4.45Å; V364-W370 VanDerWaalsContact CG1-CD1 3.43Å; V364-W370 HydrophobicContact CG1-CG 4.06Å; V364-V373 HydrophobicContact CG1-CG1 4.26Å; V364-V373 HydrophobicContact CG1-CG2 3.41Å; V364-V373 VanDerWaalsContact CG1-CG2 3.41Å
365	M	92.4	Very high	88.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.6	-36.1	179.9	-69.1	173.5	67.4	0	0	113.1	G248 T250 L252 S269 L361 F362	G248-M365 PolarHBondContact N-O 2.68Å; G248-M365 VanDerWaalsContact N-O 3.09Å; T250-M365 HydrophobicContact CG2-CG 4.25Å; T250-M365 PolarHBondContact OG1-O 3.07Å; L252-M365 HydrophobicContact CD2-SD 4.13Å; S269-M365 WeakPolarHBondContact OG-CE 3.3Å; L361-M365 HydrophobicContact CD1-CG 4.26Å; L361-M365 HydrophobicContact CD1-SD 4.16Å; L361-M365 HydrophobicContact CD2-SD 4.37Å; L361-M365 HydrophobicContact CG-CG 4.39Å; L361-M365 HydrophobicContact CG-SD 3.82Å; L361-M365 WeakPolarHBondContact O-CG 3.32Å; L361-M365 PolarHBondContact O-N 3.28Å; F362-M365 HydrophobicContact CD1-SD 4.43Å; F362-M365 PolarHBondContact O-N 3.44Å
366	W	92.6	Very high	88.9	Confident	22 Å²	22	34.9 Å²	34.9	8%	0.083	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	9.9	-179	-69	82.9	0	0	0	113.4	P247 S269 H270 R275 F362 V364 G368 E621	P247-W366 HydrophobicContact CB-CE3 3.91Å; P247-W366 HydrophobicContact CB-CZ3 4.43Å; S269-W366 WeakPolarHBondContact O-CZ2 3.22Å; S269-W366 PolarHBondContact O-NE1 3.42Å; S269-W366 VanDerWaalsContact O-NE1 3.12Å; H270-W366 AromaticContact CD2-CZ2 3.78Å; H270-W366 AromaticContact CG-CZ2 3.95Å; H270-W366 AromaticContact NE2-CZ2 3.92Å; R275-W366 VanDerWaalsContact CD-CD2 3.48Å; R275-W366 VanDerWaalsContact CD-CE2 3.45Å; F362-W366 WeakPolarHBondContact O-CB 3.31Å; F362-W366 PolarHBondContact O-N 3.18Å; V364-W366 VanDerWaalsContact C-N 3.3Å; V364-W366 PolarHBondContact O-N 3.15Å; W366-G368 VanDerWaalsContact C-N 3.33Å; W366-E621 HydrophobicContact CE3-CG 4.45Å; W366-E621 HydrophobicContact CZ3-CB 4.22Å; W366-E621 HydrophobicContact CZ3-CG 3.88Å
367	S	89	Confident	88.9	Confident	45 Å²	45	32.5 Å²	32.5	32%	0.315	16%	0.163	S	C	.	.	S	Bend	trans	-76.3	-18.2	176.6	66.6	0	0	0	0	114.4	R363 V364 K369	R363-S367 VanDerWaalsContact O-CB 3.3Å; R363-S367 WeakPolarHBondContact O-CB 3.35Å; R363-S367 PolarHBondContact O-N 2.87Å; V364-S367 WeakPolarHBondContact O-CB 3.18Å; V364-S367 PolarHBondContact O-N 3.44Å; V364-S367 PolarHBondContact O-OG 2.92Å; S367-K369 PolarHBondContact O-N 2.88Å; S367-K369 PolarHBondContact OG-N 3.39Å
368	G	86.5	Confident	89	Confident	8 Å²	8	31 Å²	31	8%	0.082	16%	0.156	C	C	.	.	S	Bend	trans	68.5	7.1	-171.5	0	0	0	0	0	114.9	V245 W366	V245-G368 PolarHBondContact N-O 3.36Å; V245-G368 CarbonylContact O-C 3.44Å; V245-G368 WeakPolarHBondContact O-CA 3.42Å; W366-G368 VanDerWaalsContact C-N 3.33Å
369	K	85.6	Confident	88.9	Confident	139 Å²	139	31 Å²	31	60%	0.604	16%	0.156	S	C	*	.	S	Bend	trans	-94.5	-20.8	-176.5	-63.3	179.7	-177.1	176.8	0	113.9	S367	S367-K369 PolarHBondContact O-N 2.88Å; S367-K369 PolarHBondContact OG-N 3.39Å
370	W	85.6	Confident	88.8	Confident	68 Å²	68	34.6 Å²	34.6	26%	0.258	17%	0.173	S	C	.	.			trans	-127.7	127.2	-168.1	-54.5	104.7	0	0	0	111	T250 L341 V364 V373	T250-W370 WeakPolarHBondContact CB-O 3.42Å; T250-W370 HydrophobicContact CG2-CB 4.43Å; T250-W370 WeakPolarHBondContact CG2-O 3.34Å; T250-W370 PolarHBondContact OG1-O 2.7Å; L341-W370 HydrophobicContact CB-CD2 3.63Å; L341-W370 HydrophobicContact CB-CE3 3.51Å; L341-W370 HydrophobicContact CB-CG 4.29Å; L341-W370 HydrophobicContact CB-CH2 3.91Å; L341-W370 HydrophobicContact CB-CZ2 4.06Å; L341-W370 HydrophobicContact CB-CZ3 3.64Å; L341-W370 HydrophobicContact CD1-CD2 4.48Å; L341-W370 HydrophobicContact CD1-CH2 3.42Å; L341-W370 VanDerWaalsContact CD1-CH2 3.42Å; L341-W370 HydrophobicContact CD1-CZ2 3.33Å; L341-W370 HydrophobicContact CD1-CZ3 4.07Å; L341-W370 HydrophobicContact CG-CH2 4.27Å; L341-W370 HydrophobicContact CG-CZ2 4.21Å; L341-W370 HydrophobicContact CG-CZ3 4.48Å; V364-W370 HydrophobicContact CG1-CB 4.45Å; V364-W370 VanDerWaalsContact CG1-CD1 3.43Å; V364-W370 HydrophobicContact CG1-CG 4.06Å; W370-V373 HydrophobicContact CB-CG2 3.99Å
371	A	87.2	Confident	88.9	Confident	39 Å²	39	33.9 Å²	33.9	32%	0.322	17%	0.169	S	C	.	.	S	Bend	trans	-82.7	-26.6	173	0	0	0	0	0	112	V245 G251	V245-A371 HydrophobicContact CG2-CB 4.04Å; G251-A371 PolarHBondContact N-O 3.49Å
372	L	91.1	Very high	88.8	Confident	25 Å²	25	33.7 Å²	33.7	13%	0.131	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	135.7	-176.1	179.5	62.7	0	0	0	110.7	G251 R253 E340 S631	G251-L372 WeakPolarHBondContact O-CA 3.34Å; R253-L372 HydrophobicContact CB-CD1 4.39Å; E340-L372 HydrophobicContact CG-CD2 4.5Å; L372-S631 VanDerWaalsContact CD1-CB 3.48Å
373	V	90.3	Very high	88.6	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.7	178.7	176.3	0	0	0	0	109.9	T250 G251 L252 R253 L361 V364 W370 P375	T250-V373 HydrophobicContact CG2-CB 4.14Å; T250-V373 HydrophobicContact CG2-CG2 3.47Å; T250-V373 VanDerWaalsContact CG2-CG2 3.47Å; G251-V373 PolarHBondContact O-N 3Å; L252-V373 CarbonylContact C-O 3.42Å; L252-V373 WeakPolarHBondContact CA-O 3.45Å; L252-V373 HydrophobicContact CD2-CB 4.46Å; R253-V373 PolarHBondContact N-O 3.18Å; L361-V373 HydrophobicContact CD1-CG1 3.86Å; V364-V373 HydrophobicContact CG1-CG1 4.26Å; V364-V373 HydrophobicContact CG1-CG2 3.41Å; V364-V373 VanDerWaalsContact CG1-CG2 3.41Å; W370-V373 HydrophobicContact CB-CG2 3.99Å; V373-P375 WeakPolarHBondContact O-CD 3.38Å
374	S	90.1	Very high	88.4	Confident	17 Å²	17	31.6 Å²	31.6	12%	0.119	17%	0.168	C	C	.	.			trans	-92.5	115.5	171.2	-176.8	0	0	0	0	110.4	F376	S374-F376 PolarHBondContact O-N 3.17Å
375	P	91.1	Very high	88.2	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.006	18%	0.176	C	C	.	.			trans	-81.8	38.9	178.9	35.5	-36.3	0	0	0	112.3	L252 L255 M261 L265 L361 V373 M378 L379	L252-P375 HydrophobicContact CB-CG 4.34Å; L252-P375 HydrophobicContact CD2-CB 4.48Å; L255-P375 HydrophobicContact CD1-CG 4.4Å; M261-P375 HydrophobicContact CE-CB 4.24Å; M261-P375 HydrophobicContact CE-CG 3.99Å; L265-P375 HydrophobicContact CD1-CB 4.48Å; L361-P375 HydrophobicContact CD2-CB 4.35Å; V373-P375 WeakPolarHBondContact O-CD 3.38Å; P375-M378 HydrophobicContact CB-CB 4.32Å; P375-M378 WeakPolarHBondContact O-CB 3.24Å; P375-M378 PolarHBondContact O-N 3.34Å; P375-L379 PolarHBondContact O-N 3.34Å
376	F	85.5	Confident	88.1	Confident	82 Å²	82	33.3 Å²	33.3	36%	0.36	18%	0.176	S	C	.	.	H	α-helix	trans	-66.5	-41.5	-173.9	-177.8	-97	0	0	0	112.8	L255 S374 M378 L379 H380	L255-F376 HydrophobicContact CD1-CB 3.97Å; L255-F376 HydrophobicContact CD1-CD2 4.15Å; S374-F376 PolarHBondContact O-N 3.17Å; F376-M378 VanDerWaalsContact C-N 3.33Å; F376-M378 PolarHBondContact O-N 3.23Å; F376-L379 PolarHBondContact O-N 2.97Å; F376-H380 AromaticContact CD1-CD2 3.62Å; F376-H380 AromaticContact CD2-CD2 3.93Å; F376-H380 AromaticContact CE1-CD2 3.21Å; F376-H380 WeakPolarHBondContact CE1-CD2 3.41Å; F376-H380 AromaticContact CE1-NE2 3.36Å; F376-H380 WeakPolarHBondContact CE1-NE2 3.39Å; F376-H380 AromaticContact CE2-CD2 3.56Å; F376-H380 AromaticContact CE2-NE2 3.27Å; F376-H380 VanDerWaalsContact CE2-NE2 3.27Å; F376-H380 WeakPolarHBondContact CE2-NE2 3.43Å; F376-H380 AromaticContact CG-CD2 3.98Å; F376-H380 AromaticContact CZ-CD2 3.22Å; F376-H380 WeakPolarHBondContact CZ-CD2 3.17Å; F376-H380 AromaticContact CZ-NE2 2.86Å; F376-H380 WeakPolarHBondContact CZ-NE2 3.45Å; F376-H380 PolarHBondContact O-CD2 3.12Å; F376-H380 PolarHBondContact O-N 3.48Å
377	A	83.4	Confident	87.7	Confident	26 Å²	26	36.6 Å²	36.6	22%	0.215	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-40.1	176.8	0	0	0	0	0	111.9	E357 H380 S381	E357-A377 WeakPolarHBondContact OE2-CB 3.29Å; A377-H380 PolarHBondContact O-N 3.28Å; A377-S381 WeakPolarHBondContact O-CB 3.3Å; A377-S381 PolarHBondContact O-N 3.34Å; A377-S381 PolarHBondContact O-OG 2.98Å; A377-S381 VanDerWaalsContact O-OG 3.05Å
378	M	89.8	Confident	87.5	Confident	3 Å²	3	38 Å²	38	2%	0.015	22%	0.215	C	C	.	.	H	α-helix	trans	-59.7	-49.7	170.8	178.6	61.3	77.1	0	0	111.7	M261 L265 L354 E357 L358 L361 P375 F376 H380 S381 V382	M261-M378 HydrophobicContact SD-CG 4.23Å; L265-M378 HydrophobicContact CD1-CG 3.91Å; L265-M378 HydrophobicContact CD2-CE 4.11Å; L265-M378 HydrophobicContact CD2-CG 4.38Å; L354-M378 HydrophobicContact CD2-SD 4.21Å; E357-M378 HydrophobicContact CB-CE 3.68Å; E357-M378 HydrophobicContact CB-SD 4.01Å; L358-M378 HydrophobicContact CB-CE 4.16Å; L358-M378 HydrophobicContact CD2-CE 3.45Å; L358-M378 VanDerWaalsContact CD2-CE 3.45Å; L358-M378 HydrophobicContact CG-CE 3.58Å; L361-M378 HydrophobicContact CD2-CE 4.32Å; P375-M378 HydrophobicContact CB-CB 4.32Å; P375-M378 WeakPolarHBondContact O-CB 3.24Å; P375-M378 PolarHBondContact O-N 3.34Å; F376-M378 VanDerWaalsContact C-N 3.33Å; F376-M378 PolarHBondContact O-N 3.23Å; M378-H380 VanDerWaalsContact C-N 3.33Å; M378-H380 PolarHBondContact O-N 3.42Å; M378-S381 PolarHBondContact O-N 3.2Å; M378-V382 WeakPolarHBondContact O-CG2 3.5Å; M378-V382 PolarHBondContact O-N 3.01Å; M378-V382 HydrophobicContact SD-CG2 4.28Å
379	L	88.8	Confident	87.6	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.9	-45.1	179.6	-177.8	63.8	0	0	0	112	L255 T258 M261 P375 F376 S381 V382 W383 Y392	L255-L379 HydrophobicContact CB-CD2 4.03Å; L255-L379 HydrophobicContact CD1-CB 4.48Å; L255-L379 HydrophobicContact CD1-CD2 3.85Å; T258-L379 HydrophobicContact CG2-CD1 3.85Å; T258-L379 HydrophobicContact CG2-CD2 3.91Å; M261-L379 HydrophobicContact CE-CB 4.09Å; M261-L379 HydrophobicContact CE-CD1 4.08Å; M261-L379 HydrophobicContact SD-CB 4.42Å; M261-L379 HydrophobicContact SD-CD1 4.04Å; P375-L379 PolarHBondContact O-N 3.34Å; F376-L379 PolarHBondContact O-N 2.97Å; L379-S381 PolarHBondContact O-N 2.77Å; L379-V382 WeakPolarHBondContact O-CB 3.44Å; L379-V382 PolarHBondContact O-N 3.39Å; L379-W383 HydrophobicContact CD1-CZ2 3.89Å; L379-W383 HydrophobicContact CD2-CH2 3.81Å; L379-W383 HydrophobicContact CD2-CZ2 3.71Å; L379-W383 HydrophobicContact CG-CD2 4.28Å; L379-W383 HydrophobicContact CG-CH2 4.12Å; L379-W383 HydrophobicContact CG-CZ2 3.76Å; L379-W383 PolarHBondContact O-N 3.41Å; L379-Y392 HydrophobicContact CD2-CE1 4.42Å
380	H	85.7	Confident	87.6	Confident	80 Å²	80	38.4 Å²	38.4	37%	0.37	21%	0.21	S	C	.	.	H	α-helix	trans	-63.9	-40.4	177.4	-91.8	-78.7	0	0	0	112.6	F376 A377 M378 W383 S384	F376-H380 AromaticContact CD1-CD2 3.62Å; F376-H380 AromaticContact CD2-CD2 3.93Å; F376-H380 AromaticContact CE1-CD2 3.21Å; F376-H380 WeakPolarHBondContact CE1-CD2 3.41Å; F376-H380 AromaticContact CE1-NE2 3.36Å; F376-H380 WeakPolarHBondContact CE1-NE2 3.39Å; F376-H380 AromaticContact CE2-CD2 3.56Å; F376-H380 AromaticContact CE2-NE2 3.27Å; F376-H380 VanDerWaalsContact CE2-NE2 3.27Å; F376-H380 WeakPolarHBondContact CE2-NE2 3.43Å; F376-H380 AromaticContact CG-CD2 3.98Å; F376-H380 AromaticContact CZ-CD2 3.22Å; F376-H380 WeakPolarHBondContact CZ-CD2 3.17Å; F376-H380 AromaticContact CZ-NE2 2.86Å; F376-H380 WeakPolarHBondContact CZ-NE2 3.45Å; F376-H380 PolarHBondContact O-CD2 3.12Å; F376-H380 PolarHBondContact O-N 3.48Å; A377-H380 PolarHBondContact O-N 3.28Å; M378-H380 VanDerWaalsContact C-N 3.33Å; M378-H380 PolarHBondContact O-N 3.42Å; H380-W383 PolarHBondContact O-N 3.22Å; H380-S384 WeakPolarHBondContact O-CB 3.45Å; H380-S384 PolarHBondContact O-N 3.08Å
381	S	87.9	Confident	87.4	Confident	7 Å²	7	36.4 Å²	36.4	5%	0.049	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-43.1	174.7	-65.4	0	0	0	0	111.6	I352 E357 A377 M378 L379 S384 L385	I352-S381 WeakPolarHBondContact CG2-OG 3.31Å; E357-S381 WeakPolarHBondContact CG-OG 3.36Å; A377-S381 WeakPolarHBondContact O-CB 3.3Å; A377-S381 PolarHBondContact O-N 3.34Å; A377-S381 PolarHBondContact O-OG 2.98Å; A377-S381 VanDerWaalsContact O-OG 3.05Å; M378-S381 PolarHBondContact O-N 3.2Å; L379-S381 PolarHBondContact O-N 2.77Å; S381-S384 PolarHBondContact O-N 3.49Å; S381-L385 WeakPolarHBondContact O-CB 3.33Å; S381-L385 WeakPolarHBondContact O-CG 3.42Å; S381-L385 PolarHBondContact O-N 3.03Å
382	V	89.3	Confident	87.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-49.5	174.1	168.6	0	0	0	0	111.1	M261 L354 M378 L379 S384 L385 I386 F389 F400	M261-V382 HydrophobicContact SD-CG2 4.47Å; L354-V382 HydrophobicContact CD2-CG2 3.92Å; M378-V382 WeakPolarHBondContact O-CG2 3.5Å; M378-V382 PolarHBondContact O-N 3.01Å; M378-V382 HydrophobicContact SD-CG2 4.28Å; L379-V382 WeakPolarHBondContact O-CB 3.44Å; L379-V382 PolarHBondContact O-N 3.39Å; V382-S384 PolarHBondContact O-N 3.33Å; V382-L385 PolarHBondContact O-N 3.49Å; V382-I386 HydrophobicContact CG1-CD1 4.49Å; V382-I386 CarbonylContact O-C 3.45Å; V382-I386 WeakPolarHBondContact O-CA 3.06Å; V382-I386 WeakPolarHBondContact O-CB 3.41Å; V382-I386 PolarHBondContact O-N 3Å; V382-F389 HydrophobicContact CG1-CB 3.99Å; V382-F400 HydrophobicContact CG1-CE2 3.82Å; V382-F400 HydrophobicContact CG2-CE2 3.99Å; V382-F400 HydrophobicContact CG2-CZ 4.2Å
383	W	88.3	Confident	87	Confident	28 Å²	28	44.1 Å²	44.1	11%	0.106	24%	0.238	C	C	.	.	H	α-helix	trans	-65.9	-25	179.1	-71	-8	0	0	0	114.9	L379 H380 F389 R390 G391 Y392	L379-W383 HydrophobicContact CD1-CZ2 3.89Å; L379-W383 HydrophobicContact CD2-CH2 3.81Å; L379-W383 HydrophobicContact CD2-CZ2 3.71Å; L379-W383 HydrophobicContact CG-CD2 4.28Å; L379-W383 HydrophobicContact CG-CH2 4.12Å; L379-W383 HydrophobicContact CG-CZ2 3.76Å; L379-W383 PolarHBondContact O-N 3.41Å; H380-W383 PolarHBondContact O-N 3.22Å; W383-F389 PolarHBondContact NE1-O 3.47Å; W383-R390 HydrophobicContact CB-CG 4.38Å; W383-R390 HydrophobicContact CG-CG 4.46Å; W383-R390 PolarHBondContact O-NE 3.32Å; W383-R390 VanDerWaalsContact O-NE 3.09Å; W383-R390 PolarHBondContact O-NH2 3.4Å; W383-G391 VanDerWaalsContact CE2-O 3.26Å; W383-G391 WeakPolarHBondContact CZ2-O 3.43Å; W383-G391 PolarHBondContact NE1-O 2.74Å; W383-Y392 HydrophobicContact CH2-CD1 4.08Å; W383-Y392 HydrophobicContact CH2-CD2 4.24Å; W383-Y392 AromaticContact CH2-CE1 3.51Å; W383-Y392 HydrophobicContact CH2-CE1 3.51Å; W383-Y392 AromaticContact CH2-CE2 3.69Å; W383-Y392 HydrophobicContact CH2-CE2 3.69Å; W383-Y392 HydrophobicContact CH2-CG 4.44Å; W383-Y392 AromaticContact CH2-CZ 3.32Å; W383-Y392 AromaticContact CZ2-CD1 3.92Å; W383-Y392 HydrophobicContact CZ2-CD1 3.92Å; W383-Y392 HydrophobicContact CZ2-CD2 4.4Å; W383-Y392 AromaticContact CZ2-CE1 3.78Å; W383-Y392 HydrophobicContact CZ2-CE1 3.78Å; W383-Y392 HydrophobicContact CZ2-CE2 4.28Å; W383-Y392 HydrophobicContact CZ2-CG 4.26Å
384	S	86.2	Confident	86.8	Confident	55 Å²	55	47.9 Å²	47.9	39%	0.385	26%	0.256	S	S	.	.	H	α-helix	trans	-79.4	-41.7	176.3	-170.1	0	0	0	0	111.6	I352 H380 S381 V382	I352-S384 VanDerWaalsContact CD1-OG 3.31Å; I352-S384 WeakPolarHBondContact CD1-OG 3.49Å; H380-S384 WeakPolarHBondContact O-CB 3.45Å; H380-S384 PolarHBondContact O-N 3.08Å; S381-S384 PolarHBondContact O-N 3.49Å; V382-S384 PolarHBondContact O-N 3.33Å
385	L	86.6	Confident	86.9	Confident	52 Å²	52	49.1 Å²	49.1	27%	0.272	26%	0.26	S	S	.	.	H	α-helix	trans	-99.8	-19.8	-169.4	-64.5	168.8	0	0	0	113.9	I352 L354 S381 V382 E411	I352-L385 HydrophobicContact CG2-CD1 3.72Å; I352-L385 HydrophobicContact CG2-CG 4.1Å; L354-L385 HydrophobicContact CD1-CB 4.31Å; L354-L385 HydrophobicContact CD1-CD1 4.11Å; L354-L385 HydrophobicContact CD2-CD1 4.33Å; L354-L385 HydrophobicContact CG-CD1 3.66Å; S381-L385 WeakPolarHBondContact O-CB 3.33Å; S381-L385 WeakPolarHBondContact O-CG 3.42Å; S381-L385 PolarHBondContact O-N 3.03Å; V382-L385 PolarHBondContact O-N 3.49Å; L385-E411 VanDerWaalsContact CD1-OE1 3.27Å; L385-E411 WeakPolarHBondContact CD1-OE1 3.4Å
386	I	89.1	Confident	87	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	27%	0.265	C	S	.	.			trans	-127.4	82.1	-179.8	-34.7	-170.8	0	0	0	109.5	L354 V382 A388 F389 E403 K407	L354-I386 HydrophobicContact CD1-CD1 4.25Å; L354-I386 HydrophobicContact CD1-CG1 4.46Å; V382-I386 HydrophobicContact CG1-CD1 4.49Å; V382-I386 CarbonylContact O-C 3.45Å; V382-I386 WeakPolarHBondContact O-CA 3.06Å; V382-I386 WeakPolarHBondContact O-CB 3.41Å; V382-I386 PolarHBondContact O-N 3Å; I386-A388 PolarHBondContact O-N 3.45Å; I386-F389 HydrophobicContact CB-CD2 4.24Å; I386-F389 HydrophobicContact CG2-CD2 3.55Å; I386-F389 HydrophobicContact CG2-CE2 4.02Å; I386-F389 PolarHBondContact O-N 3.48Å; I386-F389 VanDerWaalsContact O-N 3.07Å; I386-E403 HydrophobicContact CD1-CB 4.49Å; I386-E403 HydrophobicContact CG2-CB 4.03Å; I386-K407 HydrophobicContact CD1-CB 4.26Å; I386-K407 HydrophobicContact CD1-CG 3.96Å; I386-K407 HydrophobicContact CG1-CG 3.97Å
387	P	84.4	Confident	87.4	Confident	91 Å²	91	46.2 Å²	46.2	59%	0.591	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-56.9	-27.6	-173.4	-27.6	35.7	0	0	0	115	F389 R390	P387-F389 PolarHBondContact O-N 2.98Å; P387-R390 VanDerWaalsContact O-CB 3.31Å; P387-R390 WeakPolarHBondContact O-CB 3.25Å; P387-R390 PolarHBondContact O-N 3.07Å; P387-R390 VanDerWaalsContact O-N 3.17Å
388	A	85.7	Confident	88	Confident	75 Å²	75	46.4 Å²	46.4	62%	0.62	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-60.8	-28.6	178.3	0	0	0	0	0	113.5	I386 Q395	I386-A388 PolarHBondContact O-N 3.45Å; A388-Q395 PolarHBondContact O-NE2 3.42Å
389	F	88.4	Confident	88.2	Confident	5 Å²	5	51.2 Å²	51.2	2%	0.022	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-99.6	10.5	-179.8	-65.3	-91.3	0	0	0	112.7	Y260 V382 W383 I386 P387 G391 Q395 E399 F400 E403	Y260-F389 AromaticContact CE2-CD1 3.66Å; Y260-F389 HydrophobicContact CE2-CD1 3.66Å; Y260-F389 HydrophobicContact CE2-CE1 4.09Å; Y260-F389 AromaticContact CZ-CD1 4Å; V382-F389 HydrophobicContact CG1-CB 3.99Å; W383-F389 PolarHBondContact NE1-O 3.47Å; I386-F389 HydrophobicContact CB-CD2 4.24Å; I386-F389 HydrophobicContact CG2-CD2 3.55Å; I386-F389 HydrophobicContact CG2-CE2 4.02Å; I386-F389 PolarHBondContact O-N 3.48Å; I386-F389 VanDerWaalsContact O-N 3.07Å; P387-F389 PolarHBondContact O-N 2.98Å; F389-G391 PolarHBondContact O-N 3.3Å; F389-Q395 HydrophobicContact CD1-CB 3.71Å; F389-Q395 HydrophobicContact CD1-CG 3.7Å; F389-Q395 HydrophobicContact CE1-CB 3.75Å; F389-Q395 HydrophobicContact CE1-CG 4.19Å; F389-E399 HydrophobicContact CZ-CB 4.09Å; F389-F400 HydrophobicContact CD1-CB 4.17Å; F389-F400 AromaticContact CD1-CD2 3.9Å; F389-F400 HydrophobicContact CD1-CD2 3.9Å; F389-F400 HydrophobicContact CD1-CG 4.46Å; F389-F400 HydrophobicContact CD2-CD2 4.46Å; F389-F400 HydrophobicContact CE1-CB 3.5Å; F389-F400 HydrophobicContact CE1-CD2 4.01Å; F389-F400 HydrophobicContact CE1-CG 4.24Å; F389-F400 HydrophobicContact CG-CD2 4.16Å; F389-F400 HydrophobicContact CZ-CB 3.86Å; F389-F400 HydrophobicContact CZ-CD2 4.36Å; F389-F400 VanDerWaalsContact CZ-N 3.35Å; F389-E403 HydrophobicContact CE2-CB 3.84Å; F389-E403 HydrophobicContact CE2-CG 3.9Å
390	R	84.7	Confident	88.6	Confident	151 Å²	151	51.2 Å²	51.2	57%	0.57	27%	0.267	S	S	*	.			trans	-66.9	132.8	-178.2	-178.8	174.6	-75.3	175.3	-3.5	111.2	W383 P387	W383-R390 HydrophobicContact CB-CG 4.38Å; W383-R390 HydrophobicContact CG-CG 4.46Å; W383-R390 PolarHBondContact O-NE 3.32Å; W383-R390 VanDerWaalsContact O-NE 3.09Å; W383-R390 PolarHBondContact O-NH2 3.4Å; P387-R390 VanDerWaalsContact O-CB 3.31Å; P387-R390 WeakPolarHBondContact O-CB 3.25Å; P387-R390 PolarHBondContact O-N 3.07Å; P387-R390 VanDerWaalsContact O-N 3.17Å
391	G	82.8	Confident	89	Confident	25 Å²	25	47.4 Å²	47.4	26%	0.258	25%	0.249	S	C	.	.	S	Bend	trans	97.3	-168.2	177.6	0	0	0	0	0	112.2	W383 F389	W383-G391 VanDerWaalsContact CE2-O 3.26Å; W383-G391 WeakPolarHBondContact CZ2-O 3.43Å; W383-G391 PolarHBondContact NE1-O 2.74Å; F389-G391 PolarHBondContact O-N 3.3Å
392	Y	84.6	Confident	89.3	Confident	124 Å²	124	48.7 Å²	48.7	49%	0.486	26%	0.258	S	S	.	.	S	Bend	trans	-108.6	24.5	-173.9	-60.9	-81.7	0	0	0	112.1	L255 N257 L379 W383	L255-Y392 VanDerWaalsContact O-CD1 3.22Å; L255-Y392 WeakPolarHBondContact O-CD1 3.48Å; L255-Y392 WeakPolarHBondContact O-CE1 3.39Å; N257-Y392 WeakPolarHBondContact CB-O 3.36Å; N257-Y392 PolarHBondContact ND2-O 3.19Å; L379-Y392 HydrophobicContact CD2-CE1 4.42Å; W383-Y392 HydrophobicContact CH2-CD1 4.08Å; W383-Y392 HydrophobicContact CH2-CD2 4.24Å; W383-Y392 AromaticContact CH2-CE1 3.51Å; W383-Y392 HydrophobicContact CH2-CE1 3.51Å; W383-Y392 AromaticContact CH2-CE2 3.69Å; W383-Y392 HydrophobicContact CH2-CE2 3.69Å; W383-Y392 HydrophobicContact CH2-CG 4.44Å; W383-Y392 AromaticContact CH2-CZ 3.32Å; W383-Y392 AromaticContact CZ2-CD1 3.92Å; W383-Y392 HydrophobicContact CZ2-CD1 3.92Å; W383-Y392 HydrophobicContact CZ2-CD2 4.4Å; W383-Y392 AromaticContact CZ2-CE1 3.78Å; W383-Y392 HydrophobicContact CZ2-CE1 3.78Å; W383-Y392 HydrophobicContact CZ2-CE2 4.28Å; W383-Y392 HydrophobicContact CZ2-CG 4.26Å
393	D	83.9	Confident	89.4	Confident	103 Å²	103	52.5 Å²	52.5	55%	0.551	28%	0.275	S	S	*	.			trans	-69.5	154.8	173.3	-69.8	-34.6	0	0	0	110.2
394	Q	86.3	Confident	89.7	Confident	79 Å²	79	51.2 Å²	51.2	37%	0.369	27%	0.271	S	S	.	.			trans	-73.1	136.5	171.3	-64.1	-161.8	-12.5	0	0	109.7	N257 G609 G611	N257-Q394 HydrophobicContact CB-CG 4.01Å; N257-Q394 PolarHBondContact OD1-NE2 3.24Å; Q394-G609 PolarHBondContact OE1-O 3.34Å; Q394-G611 PolarHBondContact NE2-O 3.04Å
395	Q	91.5	Very high	89.9	Confident	43 Å²	43	48.7 Å²	48.7	20%	0.201	25%	0.253	C	S	.	.			trans	-130.8	159	-173.4	-59.5	-68.9	-5.5	0	0	110.7	Y260 A388 F389 Y613	Y260-Q395 WeakPolarHBondContact CB-O 3.38Å; Y260-Q395 HydrophobicContact CD1-CB 3.93Å; Y260-Q395 HydrophobicContact CD2-CB 4Å; Y260-Q395 HydrophobicContact CE1-CB 3.8Å; Y260-Q395 HydrophobicContact CE1-CG 4.01Å; Y260-Q395 HydrophobicContact CE2-CB 3.88Å; Y260-Q395 HydrophobicContact CE2-CG 4.46Å; Y260-Q395 HydrophobicContact CG-CB 4.05Å; A388-Q395 PolarHBondContact O-NE2 3.42Å; F389-Q395 HydrophobicContact CD1-CB 3.71Å; F389-Q395 HydrophobicContact CD1-CG 3.7Å; F389-Q395 HydrophobicContact CE1-CB 3.75Å; F389-Q395 HydrophobicContact CE1-CG 4.19Å; Q395-Y613 WeakPolarHBondContact O-CE2 3.49Å
396	D	93.4	Very high	90	Very high	22 Å²	22	51 Å²	51	12%	0.118	26%	0.262	C	S	.	.			trans	-78.6	132.3	177.5	-165.6	-83.5	0	0	0	111.6	Q398 E399 F400 Y613 Y647	D396-Q398 WeakPolarHBondContact OD1-CA 3.48Å; D396-Q398 VanDerWaalsContact OD1-CB 3.28Å; D396-Q398 WeakPolarHBondContact OD1-CB 3.29Å; D396-Q398 PolarHBondContact OD1-N 2.78Å; D396-E399 HydrophobicContact CB-CB 4.05Å; D396-E399 HydrophobicContact CB-CG 3.91Å; D396-E399 PolarHBondContact OD1-N 3.33Å; D396-F400 WeakPolarHBondContact O-CB 3.38Å; D396-F400 PolarHBondContact O-N 3.5Å; D396-Y613 PolarHBondContact OD2-OH 3.12Å; D396-Y647 PolarHBondContact OD1-OH 3.13Å; D396-Y647 PolarHBondContact OD2-OH 3.16Å
397	A	95.4	Very high	90	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-69.9	-31.7	-178.6	0	0	0	0	0	112.8	I264 L401 V601 Y613 Y647	I264-A397 HydrophobicContact CD1-CB 4.18Å; I264-A397 HydrophobicContact CG1-CB 4.09Å; I264-A397 WeakPolarHBondContact CG1-O 3.46Å; A397-L401 WeakPolarHBondContact O-CB 3.2Å; A397-L401 PolarHBondContact O-N 3.2Å; A397-V601 HydrophobicContact CB-CG1 4.46Å; A397-Y613 HydrophobicContact CB-CD1 3.71Å; A397-Y613 HydrophobicContact CB-CD2 4.43Å; A397-Y613 HydrophobicContact CB-CE1 3.57Å; A397-Y613 HydrophobicContact CB-CE2 4.32Å; A397-Y613 HydrophobicContact CB-CG 4.14Å; A397-Y647 HydrophobicContact CB-CE1 4.42Å
398	Q	95	Very high	90.1	Very high	29 Å²	29	49.1 Å²	49.1	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-71.7	-45.2	176.8	-178.1	-88.3	-10.5	0	0	110.4	D396 F400 L401 C402 D467 H549 Y647 I648	D396-Q398 WeakPolarHBondContact OD1-CA 3.48Å; D396-Q398 VanDerWaalsContact OD1-CB 3.28Å; D396-Q398 WeakPolarHBondContact OD1-CB 3.29Å; D396-Q398 PolarHBondContact OD1-N 2.78Å; Q398-F400 VanDerWaalsContact C-N 3.33Å; Q398-F400 PolarHBondContact O-N 2.83Å; Q398-L401 PolarHBondContact O-N 2.85Å; Q398-C402 PolarHBondContact NE2-SG 2.86Å; Q398-C402 VanDerWaalsContact NE2-SG 3.41Å; Q398-C402 PolarHBondContact O-N 2.89Å; Q398-C402 PolarHBondContact O-SG 3.42Å; Q398-C402 VanDerWaalsContact O-SG 3.33Å; Q398-D467 PolarHBondContact NE2-OD2 3.43Å; Q398-H549 HydrophobicContact CG-CB 4.11Å; Q398-Y647 HydrophobicContact CB-CE1 4.25Å; Q398-I648 HydrophobicContact CB-CD1 3.85Å; Q398-I648 HydrophobicContact CB-CG1 4.48Å
399	E	94.4	Very high	90	Very high	105 Å²	105	47 Å²	47	49%	0.491	22%	0.222	S	C	.	.	H	α-helix	trans	-60.5	-44.9	175.9	-65.9	-177.3	175.4	0	0	110.7	F389 D396 L401 C402 E403	F389-E399 HydrophobicContact CZ-CB 4.09Å; D396-E399 HydrophobicContact CB-CB 4.05Å; D396-E399 HydrophobicContact CB-CG 3.91Å; D396-E399 PolarHBondContact OD1-N 3.33Å; E399-L401 PolarHBondContact O-N 3.15Å; E399-C402 PolarHBondContact O-N 3.46Å; E399-E403 WeakPolarHBondContact O-CG 3.3Å; E399-E403 PolarHBondContact O-N 3.34Å
400	F	96.1	Very high	89.9	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.1	-46.5	176.8	176.2	-111.8	0	0	0	112.5	Y260 M261 I264 V382 F389 D396 Q398 C402 E403 L404	Y260-F400 HydrophobicContact CD2-CB 3.6Å; Y260-F400 HydrophobicContact CD2-CD1 4.02Å; Y260-F400 HydrophobicContact CD2-CD2 4.29Å; Y260-F400 AromaticContact CD2-CG 3.69Å; Y260-F400 HydrophobicContact CD2-CG 3.69Å; Y260-F400 HydrophobicContact CE2-CB 3.73Å; Y260-F400 HydrophobicContact CE2-CD1 4.11Å; Y260-F400 AromaticContact CE2-CD2 3.64Å; Y260-F400 HydrophobicContact CE2-CD2 3.64Å; Y260-F400 HydrophobicContact CE2-CE2 4.31Å; Y260-F400 AromaticContact CE2-CG 3.52Å; Y260-F400 HydrophobicContact CE2-CG 3.52Å; M261-F400 HydrophobicContact CB-CD1 4.38Å; M261-F400 HydrophobicContact CB-CE1 3.9Å; M261-F400 HydrophobicContact CB-CZ 4.07Å; M261-F400 HydrophobicContact CG-CE1 3.69Å; M261-F400 HydrophobicContact CG-CE2 4.41Å; M261-F400 HydrophobicContact CG-CZ 3.56Å; M261-F400 HydrophobicContact SD-CZ 4.35Å; I264-F400 HydrophobicContact CB-CD1 3.93Å; I264-F400 HydrophobicContact CB-CE1 4.09Å; I264-F400 HydrophobicContact CG1-CD1 4.05Å; I264-F400 HydrophobicContact CG2-CD1 4.01Å; I264-F400 HydrophobicContact CG2-CE1 4.02Å; V382-F400 HydrophobicContact CG1-CE2 3.82Å; V382-F400 HydrophobicContact CG2-CE2 3.99Å; V382-F400 HydrophobicContact CG2-CZ 4.2Å; F389-F400 HydrophobicContact CD1-CB 4.17Å; F389-F400 AromaticContact CD1-CD2 3.9Å; F389-F400 HydrophobicContact CD1-CD2 3.9Å; F389-F400 HydrophobicContact CD1-CG 4.46Å; F389-F400 HydrophobicContact CD2-CD2 4.46Å; F389-F400 HydrophobicContact CE1-CB 3.5Å; F389-F400 HydrophobicContact CE1-CD2 4.01Å; F389-F400 HydrophobicContact CE1-CG 4.24Å; F389-F400 HydrophobicContact CG-CD2 4.16Å; F389-F400 HydrophobicContact CZ-CB 3.86Å; F389-F400 HydrophobicContact CZ-CD2 4.36Å; F389-F400 VanDerWaalsContact CZ-N 3.35Å; D396-F400 WeakPolarHBondContact O-CB 3.38Å; D396-F400 PolarHBondContact O-N 3.5Å; Q398-F400 VanDerWaalsContact C-N 3.33Å; Q398-F400 PolarHBondContact O-N 2.83Å; F400-C402 VanDerWaalsContact C-N 3.33Å; F400-C402 PolarHBondContact O-N 3.45Å; F400-E403 PolarHBondContact O-N 2.86Å; F400-L404 HydrophobicContact CE1-CD2 3.94Å; F400-L404 HydrophobicContact CE2-CB 4.39Å; F400-L404 HydrophobicContact CZ-CB 4.28Å; F400-L404 HydrophobicContact CZ-CD1 4.47Å; F400-L404 HydrophobicContact CZ-CD2 3.92Å; F400-L404 HydrophobicContact CZ-CG 4.45Å; F400-L404 WeakPolarHBondContact O-CB 3.35Å; F400-L404 PolarHBondContact O-N 3.03Å
401	L	95.4	Very high	89.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.2	-44.1	178.6	172.3	62.1	0	0	0	111.8	I264 L268 A397 Q398 E399 L405 F650	I264-L401 HydrophobicContact CD1-CB 4.01Å; I264-L401 HydrophobicContact CD1-CD2 4.21Å; I264-L401 HydrophobicContact CG1-CB 4.23Å; I264-L401 HydrophobicContact CG2-CB 4Å; I264-L401 HydrophobicContact CG2-CD1 3.71Å; I264-L401 HydrophobicContact CG2-CG 4.39Å; L268-L401 HydrophobicContact CD1-CD1 4.13Å; L268-L401 HydrophobicContact CD2-CD1 3.95Å; L268-L401 HydrophobicContact CG-CD1 4.24Å; A397-L401 WeakPolarHBondContact O-CB 3.2Å; A397-L401 PolarHBondContact O-N 3.2Å; Q398-L401 PolarHBondContact O-N 2.85Å; E399-L401 PolarHBondContact O-N 3.15Å; L401-L405 HydrophobicContact CD1-CD1 3.73Å; L401-L405 HydrophobicContact CD1-CG 3.99Å; L401-L405 HydrophobicContact CG-CD1 4.24Å; L401-L405 WeakPolarHBondContact O-CB 3.42Å; L401-L405 WeakPolarHBondContact O-CG 3.36Å; L401-L405 PolarHBondContact O-N 3.41Å; L401-F650 HydrophobicContact CD2-CE1 3.97Å; L401-F650 HydrophobicContact CD2-CZ 3.55Å
402	C	92.8	Very high	89.6	Confident	34 Å²	34	44.1 Å²	44.1	23%	0.23	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-49.3	178.6	-71	0	0	0	0	111.5	Q398 E399 F400 L405 H406 R547	Q398-C402 PolarHBondContact NE2-SG 2.86Å; Q398-C402 VanDerWaalsContact NE2-SG 3.41Å; Q398-C402 PolarHBondContact O-N 2.89Å; Q398-C402 PolarHBondContact O-SG 3.42Å; Q398-C402 VanDerWaalsContact O-SG 3.33Å; E399-C402 PolarHBondContact O-N 3.46Å; F400-C402 VanDerWaalsContact C-N 3.33Å; F400-C402 PolarHBondContact O-N 3.45Å; C402-L405 PolarHBondContact O-N 3.01Å; C402-H406 WeakPolarHBondContact O-CB 3.43Å; C402-H406 PolarHBondContact O-N 2.89Å; C402-R547 PolarHBondContact SG-NH2 3.08Å
403	E	93.4	Very high	89.3	Confident	79 Å²	79	42.4 Å²	42.4	37%	0.369	21%	0.205	S	C	.	.	H	α-helix	trans	-67	-39.6	-179.9	-72.6	-65.4	147.3	0	0	112.4	I386 F389 E399 F400 H406 K407	I386-E403 HydrophobicContact CD1-CB 4.49Å; I386-E403 HydrophobicContact CG2-CB 4.03Å; F389-E403 HydrophobicContact CE2-CB 3.84Å; F389-E403 HydrophobicContact CE2-CG 3.9Å; E399-E403 WeakPolarHBondContact O-CG 3.3Å; E399-E403 PolarHBondContact O-N 3.34Å; F400-E403 PolarHBondContact O-N 2.86Å; E403-H406 PolarHBondContact O-N 3.47Å; E403-K407 WeakPolarHBondContact O-CB 3.27Å; E403-K407 WeakPolarHBondContact O-CG 3.38Å; E403-K407 PolarHBondContact O-N 3.02Å
404	L	93.2	Very high	88.7	Confident	1 Å²	1	40 Å²	40	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-60.4	-51.2	175.2	177.3	66.1	0	0	0	111.2	L265 L268 L354 F400 H406 K407 V408	L265-L404 HydrophobicContact CD2-CD2 4.4Å; L268-L404 HydrophobicContact CD1-CD2 3.78Å; L354-L404 HydrophobicContact CD1-CD1 4.27Å; L354-L404 HydrophobicContact CD2-CD1 4.26Å; F400-L404 HydrophobicContact CE1-CD2 3.94Å; F400-L404 HydrophobicContact CE2-CB 4.39Å; F400-L404 HydrophobicContact CZ-CB 4.28Å; F400-L404 HydrophobicContact CZ-CD1 4.47Å; F400-L404 HydrophobicContact CZ-CD2 3.92Å; F400-L404 HydrophobicContact CZ-CG 4.45Å; F400-L404 WeakPolarHBondContact O-CB 3.35Å; F400-L404 PolarHBondContact O-N 3.03Å; L404-H406 VanDerWaalsContact C-N 3.35Å; L404-H406 PolarHBondContact O-N 3.49Å; L404-K407 PolarHBondContact O-N 3.5Å; L404-V408 HydrophobicContact CD1-CG2 4.26Å; L404-V408 WeakPolarHBondContact O-CB 3.34Å; L404-V408 VanDerWaalsContact O-CG2 3.24Å; L404-V408 WeakPolarHBondContact O-CG2 3.4Å; L404-V408 PolarHBondContact O-N 3.25Å
405	L	90.1	Very high	87.4	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-64.6	-39.8	-179.7	-71.7	178	0	0	0	111.9	L268 F274 L401 C402 K407 V408 Q409 F442	L268-L405 HydrophobicContact CD2-CD2 4.37Å; F274-L405 HydrophobicContact CE2-CD2 3.8Å; F274-L405 HydrophobicContact CZ-CD2 3.92Å; L401-L405 HydrophobicContact CD1-CD1 3.73Å; L401-L405 HydrophobicContact CD1-CG 3.99Å; L401-L405 HydrophobicContact CG-CD1 4.24Å; L401-L405 WeakPolarHBondContact O-CB 3.42Å; L401-L405 WeakPolarHBondContact O-CG 3.36Å; L401-L405 PolarHBondContact O-N 3.41Å; C402-L405 PolarHBondContact O-N 3.01Å; L405-K407 VanDerWaalsContact C-N 3.35Å; L405-K407 PolarHBondContact O-N 2.94Å; L405-V408 PolarHBondContact O-N 3.39Å; L405-Q409 WeakPolarHBondContact O-CB 3.42Å; L405-Q409 PolarHBondContact O-N 2.9Å; L405-F442 HydrophobicContact CD1-CD2 3.96Å; L405-F442 HydrophobicContact CD1-CE2 4.04Å; L405-F442 HydrophobicContact CD1-CG 4.39Å; L405-F442 HydrophobicContact CD2-CD2 4.45Å; L405-F442 HydrophobicContact CD2-CE2 4.03Å
406	H	88.7	Confident	85.6	Confident	102 Å²	102	38.5 Å²	38.5	47%	0.472	20%	0.2	S	C	.	.	H	α-helix	trans	-60.5	-44.7	175.2	-178.9	66.5	0	0	0	111.6	C402 E403 L404 Q409 Q410	C402-H406 WeakPolarHBondContact O-CB 3.43Å; C402-H406 PolarHBondContact O-N 2.89Å; E403-H406 PolarHBondContact O-N 3.47Å; L404-H406 VanDerWaalsContact C-N 3.35Å; L404-H406 PolarHBondContact O-N 3.49Å; H406-Q409 PolarHBondContact O-N 2.97Å; H406-Q410 WeakPolarHBondContact O-CB 3.4Å; H406-Q410 PolarHBondContact O-N 3.38Å
407	K	89.1	Confident	83.5	Confident	51 Å²	51	40.3 Å²	40.3	22%	0.222	22%	0.215	C	C	.	.	H	α-helix	trans	-69.9	-39	179.8	-70.4	-77.9	168.2	-159.2	0	112.9	L354 I386 E403 L404 L405 Q409 Q410 E411	L354-K407 HydrophobicContact CD1-CB 3.67Å; I386-K407 HydrophobicContact CD1-CB 4.26Å; I386-K407 HydrophobicContact CD1-CG 3.96Å; I386-K407 HydrophobicContact CG1-CG 3.97Å; E403-K407 WeakPolarHBondContact O-CB 3.27Å; E403-K407 WeakPolarHBondContact O-CG 3.38Å; E403-K407 PolarHBondContact O-N 3.02Å; L404-K407 PolarHBondContact O-N 3.5Å; L405-K407 VanDerWaalsContact C-N 3.35Å; L405-K407 PolarHBondContact O-N 2.94Å; K407-Q409 VanDerWaalsContact C-N 3.35Å; K407-Q410 PolarHBondContact O-N 3.33Å; K407-E411 WeakPolarHBondContact O-CG 3.4Å; K407-E411 PolarHBondContact O-N 3.29Å
408	V	86.4	Confident	81.2	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	25%	0.25	C	S	.	.	H	α-helix	trans	-59.9	-45.9	171.8	165.1	0	0	0	0	110.8	F278 L354 L358 L404 L405 E411 L412	F278-V408 HydrophobicContact CZ-CG1 3.75Å; L354-V408 HydrophobicContact CB-CG2 4.13Å; L358-V408 HydrophobicContact CD1-CG2 3.58Å; L404-V408 HydrophobicContact CD1-CG2 4.26Å; L404-V408 WeakPolarHBondContact O-CB 3.34Å; L404-V408 VanDerWaalsContact O-CG2 3.24Å; L404-V408 WeakPolarHBondContact O-CG2 3.4Å; L404-V408 PolarHBondContact O-N 3.25Å; L405-V408 PolarHBondContact O-N 3.39Å; V408-E411 PolarHBondContact O-N 3.18Å; V408-L412 HydrophobicContact CG1-CD1 4.01Å; V408-L412 VanDerWaalsContact O-CG 3.26Å; V408-L412 WeakPolarHBondContact O-CG 3.4Å; V408-L412 PolarHBondContact O-N 3.23Å; V408-L412 VanDerWaalsContact O-N 3.09Å
409	Q	84.6	Confident	78.9	Confident	30 Å²	30	49.8 Å²	49.8	14%	0.14	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-46.4	175.4	-176.3	-173.3	-15	0	0	111.4	L405 H406 K407 E411 L412 E413 L435 N439	L405-Q409 WeakPolarHBondContact O-CB 3.42Å; L405-Q409 PolarHBondContact O-N 2.9Å; H406-Q409 PolarHBondContact O-N 2.97Å; K407-Q409 VanDerWaalsContact C-N 3.35Å; Q409-E411 PolarHBondContact O-N 3.39Å; Q409-L412 PolarHBondContact O-N 3.28Å; Q409-E413 HydrophobicContact CG-CG 4.45Å; Q409-E413 WeakPolarHBondContact CG-OE1 3.14Å; Q409-E413 PolarHBondContact NE2-OE1 3.36Å; Q409-E413 WeakPolarHBondContact O-CB 3.36Å; Q409-E413 WeakPolarHBondContact O-CG 3.44Å; Q409-E413 PolarHBondContact O-N 2.78Å; Q409-L435 HydrophobicContact CG-CD1 3.83Å; Q409-N439 WeakPolarHBondContact CG-OD1 3.43Å; Q409-N439 PolarHBondContact NE2-OD1 3.41Å
410	Q	85.1	Confident	76.5	Confident	91 Å²	91	52.5 Å²	52.5	43%	0.425	27%	0.268	S	S	.	.	H	α-helix	trans	-59.5	-43.7	178.5	-175.5	177.4	29.5	0	0	112.1	H406 K407 E413 S414	H406-Q410 WeakPolarHBondContact O-CB 3.4Å; H406-Q410 PolarHBondContact O-N 3.38Å; K407-Q410 PolarHBondContact O-N 3.33Å; Q410-E413 PolarHBondContact O-N 3.3Å; Q410-S414 VanDerWaalsContact O-CB 3.29Å; Q410-S414 WeakPolarHBondContact O-CB 3.31Å; Q410-S414 PolarHBondContact O-N 3.5Å; Q410-S414 PolarHBondContact O-OG 3.07Å
411	E	83.1	Confident	74.1	Confident	26 Å²	26	60 Å²	60	12%	0.121	31%	0.307	C	S	.	.	H	α-helix	trans	-58.1	-51.9	174.6	-79.5	-174.2	-165.6	0	0	110.7	S353 L354 C355 L385 K407 V408 Q409 E413 S414 E415	S353-E411 PolarHBondContact OG-OE2 3.13Å; L354-E411 PolarHBondContact N-OE1 3.36Å; L354-E411 PolarHBondContact N-OE2 3.21Å; C355-E411 PolarHBondContact N-OE2 3.21Å; C355-E411 PolarHBondContact SG-OE2 2.81Å; L385-E411 VanDerWaalsContact CD1-OE1 3.27Å; L385-E411 WeakPolarHBondContact CD1-OE1 3.4Å; K407-E411 WeakPolarHBondContact O-CG 3.4Å; K407-E411 PolarHBondContact O-N 3.29Å; V408-E411 PolarHBondContact O-N 3.18Å; Q409-E411 PolarHBondContact O-N 3.39Å; E411-E413 VanDerWaalsContact C-N 3.32Å; E411-E413 PolarHBondContact O-N 3.36Å; E411-S414 PolarHBondContact O-N 3.06Å; E411-S414 PolarHBondContact O-OG 3.05Å; E411-E415 WeakPolarHBondContact O-CG 3.18Å; E411-E415 PolarHBondContact O-N 3.02Å
412	L	78.3	Confident	71.7	Confident	4 Å²	4	66.3 Å²	66.3	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-35.8	-179.3	-69.3	168.7	0	0	0	113.2	V408 Q409 G416 T431 V434 L435 V438	V408-L412 HydrophobicContact CG1-CD1 4.01Å; V408-L412 VanDerWaalsContact O-CG 3.26Å; V408-L412 WeakPolarHBondContact O-CG 3.4Å; V408-L412 PolarHBondContact O-N 3.23Å; V408-L412 VanDerWaalsContact O-N 3.09Å; Q409-L412 PolarHBondContact O-N 3.28Å; L412-G416 PolarHBondContact O-N 2.94Å; L412-T431 HydrophobicContact CD2-CG2 3.88Å; L412-V434 HydrophobicContact CD1-CG1 3.82Å; L412-V434 HydrophobicContact CD2-CG1 3.87Å; L412-L435 HydrophobicContact CB-CB 4.18Å; L412-L435 HydrophobicContact CB-CD1 3.91Å; L412-L435 HydrophobicContact CB-CG 4.5Å; L412-V438 HydrophobicContact CD1-CG2 4.23Å
413	E	78.9	Confident	69.4	Low	88 Å²	88	66.3 Å²	66.3	41%	0.411	34%	0.338	S	S	.	.	H	α-helix	trans	-70.7	-43.1	174.8	-75.1	174.1	-178.2	0	0	112	Q409 Q410 E411 G416 S417 L435	Q409-E413 HydrophobicContact CG-CG 4.45Å; Q409-E413 WeakPolarHBondContact CG-OE1 3.14Å; Q409-E413 PolarHBondContact NE2-OE1 3.36Å; Q409-E413 WeakPolarHBondContact O-CB 3.36Å; Q409-E413 WeakPolarHBondContact O-CG 3.44Å; Q409-E413 PolarHBondContact O-N 2.78Å; Q410-E413 PolarHBondContact O-N 3.3Å; E411-E413 VanDerWaalsContact C-N 3.32Å; E411-E413 PolarHBondContact O-N 3.36Å; E413-G416 PolarHBondContact O-N 2.96Å; E413-S417 PolarHBondContact O-N 3.21Å; E413-L435 HydrophobicContact CG-CD1 3.76Å; E413-L435 HydrophobicContact CG-CD2 3.61Å; E413-L435 HydrophobicContact CG-CG 4.33Å
414	S	71.3	Confident	67.4	Low	54 Å²	54	65.4 Å²	65.4	38%	0.378	34%	0.339	S	S	.	.	H	α-helix	trans	-68.3	-39.1	-178.4	74.9	0	0	0	0	112.8	Q410 E411 G416 S417 T418	Q410-S414 VanDerWaalsContact O-CB 3.29Å; Q410-S414 WeakPolarHBondContact O-CB 3.31Å; Q410-S414 PolarHBondContact O-N 3.5Å; Q410-S414 PolarHBondContact O-OG 3.07Å; E411-S414 PolarHBondContact O-N 3.06Å; E411-S414 PolarHBondContact O-OG 3.05Å; S414-G416 PolarHBondContact O-N 2.86Å; S414-S417 PolarHBondContact O-N 2.88Å; S414-S417 VanDerWaalsContact O-N 3.09Å; S414-T418 PolarHBondContact O-N 3.2Å; S414-T418 PolarHBondContact O-OG1 2.98Å
415	E	60.1	Low	65.4	Low	49 Å²	49	74 Å²	74	23%	0.229	38%	0.376	C	S	.	.	H	α-helix	trans	-63.6	-32.5	174.5	-73.5	-170.4	159.8	0	0	111.9	E411 S417	E411-E415 WeakPolarHBondContact O-CG 3.18Å; E411-E415 PolarHBondContact O-N 3.02Å; E415-S417 VanDerWaalsContact C-N 3.33Å
416	G	52.3	Low	63.6	Low	40 Å²	40	78.1 Å²	78.1	41%	0.412	41%	0.405	S	S	.	.	H	α-helix	trans	-69.9	-25	173.6	0	0	0	0	0	114.4	L412 E413 S414	L412-G416 PolarHBondContact O-N 2.94Å; E413-G416 PolarHBondContact O-N 2.96Å; S414-G416 PolarHBondContact O-N 2.86Å
417	S	50.2	Low	62	Low	61 Å²	61	74.5 Å²	74.5	43%	0.427	39%	0.388	S	S	.	.	H	α-helix	trans	-104.7	-38.8	-173	-159.3	0	0	0	0	114.4	E413 S414 E415 R420	E413-S417 PolarHBondContact O-N 3.21Å; S414-S417 PolarHBondContact O-N 2.88Å; S414-S417 VanDerWaalsContact O-N 3.09Å; E415-S417 VanDerWaalsContact C-N 3.33Å; S417-R420 WeakPolarHBondContact O-CG 3.48Å; S417-R420 PolarHBondContact O-NE 2.98Å; S417-R420 PolarHBondContact OG-NH2 3.23Å
418	T	47.6	Very low	60.6	Low	123 Å²	123	76 Å²	76	76%	0.755	39%	0.393	S	S	*	.	H	α-helix	trans	-92.8	-22.4	-169.9	-43.6	0	0	0	0	113.3	S414	S414-T418 PolarHBondContact O-N 3.2Å; S414-T418 PolarHBondContact O-OG1 2.98Å
419	R	46.5	Very low	59.2	Low	105 Å²	105	83.7 Å²	83.7	40%	0.396	43%	0.426	S	S	.	.			trans	-108.9	33	179.6	-64.5	-173.4	-177.2	173.6	6.8	113.5	H351 I421 L422 I423	H351-R419 PolarHBondContact CD2-NH2 3.18Å; H351-R419 PolarHBondContact NE2-NH2 3.08Å; R419-I421 PolarHBondContact O-N 2.98Å; R419-L422 PolarHBondContact O-N 3.38Å; R419-I423 HydrophobicContact CB-CD1 3.52Å; R419-I423 HydrophobicContact CB-CG1 3.89Å; R419-I423 HydrophobicContact CG-CD1 4.44Å
420	R	44.2	Very low	58.1	Low	161 Å²	161	84.2 Å²	84.2	61%	0.608	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-14.1	179.4	-70.9	-179.5	-154.5	-161.9	2.2	114.6	S417 R428	S417-R420 WeakPolarHBondContact O-CG 3.48Å; S417-R420 PolarHBondContact O-NE 2.98Å; S417-R420 PolarHBondContact OG-NH2 3.23Å; R420-R428 PolarHBondContact O-NH1 3.42Å; R420-R428 PolarHBondContact O-NH2 2.93Å
421	I	45.7	Very low	57.2	Low	159 Å²	159	81 Å²	81	82%	0.815	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-24	-171.8	-55.5	176.2	0	0	0	112.8	R419	R419-I421 PolarHBondContact O-N 2.98Å
422	L	43.8	Very low	56.5	Low	131 Å²	131	86.8 Å²	86.8	69%	0.686	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	-10.2	-171.4	-93.4	110.8	0	0	0	117.2	R419	R419-L422 PolarHBondContact O-N 3.38Å
423	I	44.9	Very low	55.9	Low	35 Å²	35	92 Å²	92	18%	0.179	47%	0.465	C	S	.	.	S	Bend	trans	-91	135.6	-175.5	-57.8	175.3	0	0	0	111.2	R419 Q427 R428	R419-I423 HydrophobicContact CB-CD1 3.52Å; R419-I423 HydrophobicContact CB-CG1 3.89Å; R419-I423 HydrophobicContact CG-CD1 4.44Å; I423-Q427 HydrophobicContact CG2-CB 3.71Å; I423-R428 HydrophobicContact CB-CG 4.15Å; I423-R428 HydrophobicContact CG2-CG 3.93Å; I423-R428 PolarHBondContact O-NE 3.45Å; I423-R428 PolarHBondContact O-NH2 2.94Å
424	P	51.3	Low	55.4	Low	60 Å²	60	88 Å²	88	39%	0.39	45%	0.447	S	S	.	.			trans	-54.6	146.8	171.4	-24	32.7	0	0	0	113.6	S426 Q427 R428	P424-S426 VanDerWaalsContact C-N 3.26Å; P424-S426 PolarHBondContact O-N 2.96Å; P424-Q427 PolarHBondContact O-N 3.36Å; P424-R428 PolarHBondContact O-N 3.02Å
425	F	51.1	Low	55.6	Low	181 Å²	181	86.9 Å²	86.9	79%	0.794	44%	0.436	S	S	*	.	H	α-helix	trans	-59.6	-31	-174.3	-127.7	-96.1	0	0	0	114	K429	F425-K429 PolarHBondContact O-N 3.07Å
426	S	52.1	Low	56.2	Low	88 Å²	88	91.7 Å²	91.7	62%	0.615	46%	0.456	S	S	*	.	H	α-helix	trans	-68.2	-45	178.9	49.7	0	0	0	0	112.8	P424 R428 K429 L430	P424-S426 VanDerWaalsContact C-N 3.26Å; P424-S426 PolarHBondContact O-N 2.96Å; S426-R428 PolarHBondContact O-N 2.98Å; S426-K429 PolarHBondContact O-N 3.1Å; S426-L430 PolarHBondContact O-N 3.27Å
427	Q	55.6	Low	57.3	Low	27 Å²	27	91.9 Å²	91.9	13%	0.126	45%	0.45	C	S	.	.	H	α-helix	trans	-66.7	-35.5	178.6	-74.8	-172.2	-33.2	0	0	112.1	D282 T285 I423 P424 K429 L430 T431	D282-Q427 PolarHBondContact O-NE2 2.91Å; T285-Q427 PolarHBondContact OG1-NE2 3.1Å; T285-Q427 VanDerWaalsContact OG1-NE2 3.08Å; I423-Q427 HydrophobicContact CG2-CB 3.71Å; P424-Q427 PolarHBondContact O-N 3.36Å; Q427-K429 VanDerWaalsContact C-N 3.31Å; Q427-K429 PolarHBondContact O-N 2.94Å; Q427-L430 PolarHBondContact O-N 3.35Å; Q427-T431 PolarHBondContact O-N 3.04Å; Q427-T431 PolarHBondContact O-OG1 2.97Å; Q427-T431 VanDerWaalsContact O-OG1 3.09Å
428	R	58.4	Low	58.6	Low	82 Å²	82	89 Å²	89	31%	0.309	43%	0.429	S	S	.	.	H	α-helix	trans	-62.2	-36.9	175.7	-63.6	-179.7	-164.4	-166.1	-2	113.1	R420 I423 P424 S426 K432	R420-R428 PolarHBondContact O-NH1 3.42Å; R420-R428 PolarHBondContact O-NH2 2.93Å; I423-R428 HydrophobicContact CB-CG 4.15Å; I423-R428 HydrophobicContact CG2-CG 3.93Å; I423-R428 PolarHBondContact O-NE 3.45Å; I423-R428 PolarHBondContact O-NH2 2.94Å; P424-R428 PolarHBondContact O-N 3.02Å; S426-R428 PolarHBondContact O-N 2.98Å; R428-K432 WeakPolarHBondContact O-CB 3.37Å; R428-K432 WeakPolarHBondContact O-CG 3.45Å; R428-K432 PolarHBondContact O-N 3.41Å
429	K	58.1	Low	59.9	Low	162 Å²	162	85.2 Å²	85.2	70%	0.704	41%	0.405	S	S	*	.	H	α-helix	trans	-68.5	-40	178.2	-169.6	177.4	179.4	-177.8	0	110.6	F425 S426 Q427 Q433	F425-K429 PolarHBondContact O-N 3.07Å; S426-K429 PolarHBondContact O-N 3.1Å; Q427-K429 VanDerWaalsContact C-N 3.31Å; Q427-K429 PolarHBondContact O-N 2.94Å; K429-Q433 VanDerWaalsContact O-CB 3.27Å; K429-Q433 WeakPolarHBondContact O-CB 3.43Å; K429-Q433 PolarHBondContact O-N 2.85Å
430	L	62.5	Low	61.5	Low	42 Å²	42	82.7 Å²	82.7	22%	0.22	40%	0.401	C	S	.	.	H	α-helix	trans	-67.8	-48.2	178.1	-173.7	63.4	0	0	0	112.3	N280 L281 S426 Q427 K432 Q433 V434	N280-L430 WeakPolarHBondContact O-CD2 3.38Å; L281-L430 HydrophobicContact CD2-CD2 4.5Å; L281-L430 HydrophobicContact CD2-CG 4.25Å; S426-L430 PolarHBondContact O-N 3.27Å; Q427-L430 PolarHBondContact O-N 3.35Å; L430-K432 VanDerWaalsContact C-N 3.33Å; L430-K432 PolarHBondContact O-N 3.27Å; L430-Q433 CarbonylContact O-C 3.6Å; L430-Q433 WeakPolarHBondContact O-CB 3.5Å; L430-Q433 PolarHBondContact O-N 3.12Å; L430-Q433 VanDerWaalsContact O-N 3.1Å; L430-V434 HydrophobicContact CD1-CG2 4.49Å; L430-V434 WeakPolarHBondContact O-CB 3.35Å; L430-V434 WeakPolarHBondContact O-CG2 3.36Å; L430-V434 PolarHBondContact O-N 2.99Å
431	T	65.3	Low	63.6	Low	24 Å²	24	75.1 Å²	75.1	15%	0.147	37%	0.373	C	S	.	.	H	α-helix	trans	-60.1	-41.9	176.2	-51.9	0	0	0	0	111.8	L412 Q427 V434 L435	L412-T431 HydrophobicContact CD2-CG2 3.88Å; Q427-T431 PolarHBondContact O-N 3.04Å; Q427-T431 PolarHBondContact O-OG1 2.97Å; Q427-T431 VanDerWaalsContact O-OG1 3.09Å; T431-V434 PolarHBondContact O-N 3.34Å; T431-L435 WeakPolarHBondContact O-CB 3.49Å; T431-L435 PolarHBondContact O-N 3.02Å
432	K	67.8	Low	65.6	Low	146 Å²	146	67.6 Å²	67.6	64%	0.635	33%	0.334	S	S	*	.	H	α-helix	trans	-65.4	-37.8	174	-76.9	-176.3	178.2	-175.6	0	112.7	R428 L430 K436	R428-K432 WeakPolarHBondContact O-CB 3.37Å; R428-K432 WeakPolarHBondContact O-CG 3.45Å; R428-K432 PolarHBondContact O-N 3.41Å; L430-K432 VanDerWaalsContact C-N 3.33Å; L430-K432 PolarHBondContact O-N 3.27Å; K432-K436 VanDerWaalsContact O-CB 3.29Å; K432-K436 WeakPolarHBondContact O-CB 3.46Å; K432-K436 PolarHBondContact O-N 3.28Å
433	Q	66.9	Low	67.7	Low	115 Å²	115	63.9 Å²	63.9	54%	0.537	31%	0.313	S	S	.	.	H	α-helix	trans	-66.3	-42.1	175.9	-177.7	173.5	-9.2	0	0	110.9	K429 L430 K436 V437	K429-Q433 VanDerWaalsContact O-CB 3.27Å; K429-Q433 WeakPolarHBondContact O-CB 3.43Å; K429-Q433 PolarHBondContact O-N 2.85Å; L430-Q433 CarbonylContact O-C 3.6Å; L430-Q433 WeakPolarHBondContact O-CB 3.5Å; L430-Q433 PolarHBondContact O-N 3.12Å; L430-Q433 VanDerWaalsContact O-N 3.1Å; Q433-K436 WeakPolarHBondContact O-CB 3.45Å; Q433-K436 PolarHBondContact O-N 2.96Å; Q433-V437 VanDerWaalsContact O-CG2 3.25Å; Q433-V437 WeakPolarHBondContact O-CG2 3.48Å; Q433-V437 PolarHBondContact O-N 3.32Å
434	V	68.6	Low	69.9	Low	4 Å²	4	62.2 Å²	62.2	2%	0.024	30%	0.304	C	S	.	.	H	α-helix	trans	-64.7	-48.1	177.1	163.2	0	0	0	0	111.5	C277 L281 L412 L430 T431 K436 V437 V438	C277-V434 WeakPolarHBondContact SG-CA 3.15Å; C277-V434 VanDerWaalsContact SG-CB 3.55Å; C277-V434 WeakPolarHBondContact SG-CG1 3.14Å; C277-V434 WeakPolarHBondContact SG-CG2 3.49Å; L281-V434 HydrophobicContact CD1-CG1 4.18Å; L281-V434 HydrophobicContact CD1-CG2 4.47Å; L281-V434 HydrophobicContact CD2-CB 4.1Å; L281-V434 HydrophobicContact CD2-CG1 4.15Å; L281-V434 HydrophobicContact CD2-CG2 3.43Å; L281-V434 VanDerWaalsContact CD2-CG2 3.43Å; L281-V434 HydrophobicContact CG-CG1 4.42Å; L281-V434 HydrophobicContact CG-CG2 3.82Å; L412-V434 HydrophobicContact CD1-CG1 3.82Å; L412-V434 HydrophobicContact CD2-CG1 3.87Å; L430-V434 HydrophobicContact CD1-CG2 4.49Å; L430-V434 WeakPolarHBondContact O-CB 3.35Å; L430-V434 WeakPolarHBondContact O-CG2 3.36Å; L430-V434 PolarHBondContact O-N 2.99Å; T431-V434 PolarHBondContact O-N 3.34Å; V434-K436 VanDerWaalsContact C-N 3.29Å; V434-K436 PolarHBondContact O-N 2.93Å; V434-V437 PolarHBondContact O-N 3.36Å; V434-V437 VanDerWaalsContact O-N 3.07Å; V434-V438 HydrophobicContact CG1-CG2 4.5Å; V434-V438 WeakPolarHBondContact O-CG2 3.49Å; V434-V438 PolarHBondContact O-N 3.47Å
435	L	74	Confident	71.9	Confident	29 Å²	29	61.7 Å²	61.7	15%	0.152	30%	0.297	C	S	.	.	H	α-helix	trans	-57.2	-44.4	173.7	178.4	61.4	0	0	0	111.5	Q409 L412 E413 T431 V437 V438 N439	Q409-L435 HydrophobicContact CG-CD1 3.83Å; L412-L435 HydrophobicContact CB-CB 4.18Å; L412-L435 HydrophobicContact CB-CD1 3.91Å; L412-L435 HydrophobicContact CB-CG 4.5Å; E413-L435 HydrophobicContact CG-CD1 3.76Å; E413-L435 HydrophobicContact CG-CD2 3.61Å; E413-L435 HydrophobicContact CG-CG 4.33Å; T431-L435 WeakPolarHBondContact O-CB 3.49Å; T431-L435 PolarHBondContact O-N 3.02Å; L435-V437 VanDerWaalsContact C-N 3.32Å; L435-V437 PolarHBondContact O-N 2.94Å; L435-V438 PolarHBondContact O-N 2.88Å; L435-N439 VanDerWaalsContact O-CB 3.29Å; L435-N439 WeakPolarHBondContact O-CB 3.39Å; L435-N439 VanDerWaalsContact O-CG 3.3Å; L435-N439 PolarHBondContact O-N 3.2Å
436	K	73.5	Confident	74	Confident	150 Å²	150	53.9 Å²	53.9	65%	0.652	26%	0.263	S	S	*	.	H	α-helix	trans	-60.9	-42.5	175.4	-175.6	177.4	-179.1	179.6	0	111.2	K432 Q433 V434 T440	K432-K436 VanDerWaalsContact O-CB 3.29Å; K432-K436 WeakPolarHBondContact O-CB 3.46Å; K432-K436 PolarHBondContact O-N 3.28Å; Q433-K436 WeakPolarHBondContact O-CB 3.45Å; Q433-K436 PolarHBondContact O-N 2.96Å; V434-K436 VanDerWaalsContact C-N 3.29Å; V434-K436 PolarHBondContact O-N 2.93Å; K436-T440 VanDerWaalsContact O-CB 3.22Å; K436-T440 WeakPolarHBondContact O-CB 3.33Å; K436-T440 PolarHBondContact O-N 3.01Å; K436-T440 PolarHBondContact O-OG1 2.97Å
437	V	75.1	Confident	76.1	Confident	45 Å²	45	50.2 Å²	50.2	27%	0.273	24%	0.236	S	C	.	.	H	α-helix	trans	-64.8	-50.5	178.3	169	0	0	0	0	110.6	C277 Q433 V434 L435 N439 T440 I441	C277-V437 HydrophobicContact CB-CG1 3.9Å; Q433-V437 VanDerWaalsContact O-CG2 3.25Å; Q433-V437 WeakPolarHBondContact O-CG2 3.48Å; Q433-V437 PolarHBondContact O-N 3.32Å; V434-V437 PolarHBondContact O-N 3.36Å; V434-V437 VanDerWaalsContact O-N 3.07Å; L435-V437 VanDerWaalsContact C-N 3.32Å; L435-V437 PolarHBondContact O-N 2.94Å; V437-N439 VanDerWaalsContact C-N 3.31Å; V437-N439 PolarHBondContact O-N 2.97Å; V437-T440 CarbonylContact O-C 3.54Å; V437-T440 PolarHBondContact O-N 3.19Å; V437-I441 HydrophobicContact CG1-CD1 3.39Å; V437-I441 HydrophobicContact CG1-CG1 3.95Å; V437-I441 VanDerWaalsContact O-CG1 3.24Å; V437-I441 WeakPolarHBondContact O-CG1 3.47Å; V437-I441 PolarHBondContact O-N 3.45Å
438	V	77.3	Confident	78	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-55.1	-47.2	176.4	173.5	0	0	0	0	110.9	F274 F278 L412 V434 L435 T440 I441	F274-V438 HydrophobicContact CE2-CG2 4.23Å; F278-V438 HydrophobicContact CE2-CG2 4.38Å; L412-V438 HydrophobicContact CD1-CG2 4.23Å; V434-V438 HydrophobicContact CG1-CG2 4.5Å; V434-V438 WeakPolarHBondContact O-CG2 3.49Å; V434-V438 PolarHBondContact O-N 3.47Å; L435-V438 PolarHBondContact O-N 2.88Å; V438-T440 PolarHBondContact O-N 3.45Å; V438-I441 PolarHBondContact O-N 3.1Å
439	N	75.3	Confident	79.7	Confident	44 Å²	44	46.4 Å²	46.4	24%	0.235	22%	0.223	C	C	.	.	H	α-helix	trans	-72	-12.3	177.8	-70.1	-6.4	0	0	0	113.9	Q409 L435 V437 H443	Q409-N439 WeakPolarHBondContact CG-OD1 3.43Å; Q409-N439 PolarHBondContact NE2-OD1 3.41Å; L435-N439 VanDerWaalsContact O-CB 3.29Å; L435-N439 WeakPolarHBondContact O-CB 3.39Å; L435-N439 VanDerWaalsContact O-CG 3.3Å; L435-N439 PolarHBondContact O-N 3.2Å; V437-N439 VanDerWaalsContact C-N 3.31Å; V437-N439 PolarHBondContact O-N 2.97Å; N439-H443 WeakPolarHBondContact O-CB 3.41Å
440	T	80.2	Confident	81.5	Confident	52 Å²	52	39.8 Å²	39.8	32%	0.319	20%	0.196	S	C	.	.	H	α-helix	trans	-102.4	-25	177.5	-53.8	0	0	0	0	111.8	K436 V437 V438	K436-T440 VanDerWaalsContact O-CB 3.22Å; K436-T440 WeakPolarHBondContact O-CB 3.33Å; K436-T440 PolarHBondContact O-N 3.01Å; K436-T440 PolarHBondContact O-OG1 2.97Å; V437-T440 CarbonylContact O-C 3.54Å; V437-T440 PolarHBondContact O-N 3.19Å; V438-T440 PolarHBondContact O-N 3.45Å
441	I	88.4	Confident	83.1	Confident	2 Å²	2	39 Å²	39	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-67.6	-55.3	-177.3	-74.6	170.3	0	0	0	110.2	K273 F274 V437 V438 Q544 V545	K273-I441 HydrophobicContact CB-CD1 3.82Å; K273-I441 HydrophobicContact CB-CG1 4.27Å; F274-I441 HydrophobicContact CB-CD1 4.11Å; F274-I441 HydrophobicContact CD2-CD1 4.38Å; V437-I441 HydrophobicContact CG1-CD1 3.39Å; V437-I441 HydrophobicContact CG1-CG1 3.95Å; V437-I441 VanDerWaalsContact O-CG1 3.24Å; V437-I441 WeakPolarHBondContact O-CG1 3.47Å; V437-I441 PolarHBondContact O-N 3.45Å; V438-I441 PolarHBondContact O-N 3.1Å; I441-Q544 PolarHBondContact O-N 2.82Å; I441-V545 HydrophobicContact CG2-CB 3.8Å; I441-V545 HydrophobicContact CG2-CG2 3.6Å; I441-V545 PolarHBondContact O-N 2.97Å
442	F	88.1	Confident	84.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-100.5	-10.7	-170.3	-58.8	-68.6	0	0	0	114.5	L268 L271 F274 L405 G444 W466 V545 R547	L268-F442 HydrophobicContact CD2-CZ 4.01Å; L271-F442 HydrophobicContact CD1-CE1 3.68Å; L271-F442 HydrophobicContact CD1-CZ 3.61Å; F274-F442 AromaticContact CD2-CE2 3.67Å; F274-F442 HydrophobicContact CD2-CE2 3.67Å; F274-F442 HydrophobicContact CD2-CZ 4.15Å; F274-F442 AromaticContact CE2-CE2 3.92Å; F274-F442 HydrophobicContact CE2-CE2 3.92Å; L405-F442 HydrophobicContact CD1-CD2 3.96Å; L405-F442 HydrophobicContact CD1-CE2 4.04Å; L405-F442 HydrophobicContact CD1-CG 4.39Å; L405-F442 HydrophobicContact CD2-CD2 4.45Å; L405-F442 HydrophobicContact CD2-CE2 4.03Å; F442-G444 PolarHBondContact O-N 3.41Å; F442-W466 HydrophobicContact CB-CE3 3.86Å; F442-W466 HydrophobicContact CB-CZ3 4.28Å; F442-V545 HydrophobicContact CD1-CB 3.97Å; F442-V545 HydrophobicContact CD1-CG1 4.06Å; F442-V545 HydrophobicContact CE1-CB 3.9Å; F442-V545 HydrophobicContact CE1-CG1 3.73Å; F442-R547 HydrophobicContact CD1-CG 4.06Å; F442-R547 HydrophobicContact CE1-CG 4.42Å
443	H	88.4	Confident	85.6	Confident	53 Å²	53	34 Å²	34	25%	0.245	18%	0.175	C	C	.	.			trans	-83.2	120.1	-172.6	-176.9	-76.8	0	0	0	112.3	N439 P464	N439-H443 WeakPolarHBondContact O-CB 3.41Å; H443-P464 WeakPolarHBondContact NE2-CB 3.39Å
444	G	91.1	Very high	86.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	177.9	167.8	0	0	0	0	0	112	F442 P464 F465 R541	F442-G444 PolarHBondContact O-N 3.41Å; G444-P464 WeakPolarHBondContact O-CA 3.5Å; G444-F465 VanDerWaalsContact CA-CE1 3.45Å; G444-F465 PolarHBondContact N-O 3.42Å; G444-F465 PolarHBondContact O-N 2.74Å; G444-R541 CarbonylContact C-O 3.48Å; G444-R541 WeakPolarHBondContact CA-O 3.48Å
445	Q	93.4	Very high	87.8	Confident	50 Å²	50	34.8 Å²	34.8	23%	0.234	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	135.5	172.8	-59.9	176.7	-65.7	0	0	110.3	I462 E463 F465 Y540 R541	Q445-I462 HydrophobicContact CB-CG2 3.89Å; Q445-I462 HydrophobicContact CG-CG2 4.31Å; Q445-E463 CarbonylContact C-O 3.5Å; Q445-E463 WeakPolarHBondContact CA-O 3.49Å; Q445-F465 VanDerWaalsContact N-CE1 3.26Å; Q445-Y540 HydrophobicContact CB-CD1 4.1Å; Q445-Y540 WeakPolarHBondContact O-CA 2.98Å; Q445-Y540 WeakPolarHBondContact O-CB 3.45Å; Q445-Y540 PolarHBondContact O-N 2.92Å; Q445-R541 HydrophobicContact CB-CB 3.84Å; Q445-R541 HydrophobicContact CG-CB 4.09Å; Q445-R541 PolarHBondContact N-O 3.19Å; Q445-R541 PolarHBondContact O-N 3.02Å
446	L	95.1	Very high	88.7	Confident	16 Å²	16	39.2 Å²	39.2	8%	0.084	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	145.8	171	-64.6	176.2	0	0	0	109.9	I462 E463 F465 L468 F500 M538 I539	L446-I462 CarbonylContact O-C 3.52Å; L446-I462 WeakPolarHBondContact O-CA 3.49Å; L446-E463 PolarHBondContact N-O 3.24Å; L446-E463 PolarHBondContact O-N 3.19Å; L446-F465 HydrophobicContact CD1-CB 4.37Å; L446-F465 HydrophobicContact CD1-CD1 4.42Å; L446-F465 HydrophobicContact CD2-CD1 3.9Å; L446-F465 HydrophobicContact CD2-CE1 3.94Å; L446-F465 HydrophobicContact CG-CB 4.38Å; L446-F465 HydrophobicContact CG-CD1 3.59Å; L446-F465 HydrophobicContact CG-CE1 4.13Å; L446-F465 HydrophobicContact CG-CG 4.22Å; L446-L468 HydrophobicContact CD2-CD2 4.06Å; L446-F500 HydrophobicContact CD1-CE1 4.46Å; L446-F500 HydrophobicContact CD1-CZ 4Å; L446-F500 HydrophobicContact CD2-CE1 4.03Å; L446-F500 HydrophobicContact CD2-CZ 4.36Å; L446-M538 CarbonylContact C-O 3.57Å; L446-M538 WeakPolarHBondContact CA-O 3.45Å; L446-I539 HydrophobicContact CD2-CD1 3.42Å; L446-I539 VanDerWaalsContact CD2-CD1 3.42Å
447	L	95.1	Very high	89.6	Confident	11 Å²	11	36.3 Å²	36.3	6%	0.058	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	110.8	165.5	178.6	65.3	0	0	0	108.1	N460 I462 L537 M538 C581	L447-N460 HydrophobicContact CD1-CB 3.75Å; L447-I462 HydrophobicContact CD1-CG1 4.33Å; L447-L537 WeakPolarHBondContact O-CA 3.5Å; L447-M538 HydrophobicContact CB-CB 4.45Å; L447-M538 HydrophobicContact CD2-CE 3.83Å; L447-M538 HydrophobicContact CG-CE 4.28Å; L447-M538 PolarHBondContact N-O 3.31Å; L447-M538 PolarHBondContact O-N 3.49Å; L447-C581 HydrophobicContact CD2-CB 3.95Å
448	S	95.6	Very high	90.5	Very high	7 Å²	7	39.7 Å²	39.7	5%	0.049	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	106.7	170.3	-179	0	0	0	0	108.7	N460 T461 K535	S448-N460 WeakPolarHBondContact O-CA 3.4Å; S448-T461 PolarHBondContact N-O 2.89Å; S448-T461 PolarHBondContact O-N 3.02Å; S448-K535 WeakPolarHBondContact OG-CE 3.37Å
449	Q	94.8	Very high	91.2	Very high	23 Å²	23	41.1 Å²	41.1	11%	0.107	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	117.5	178.9	178.6	163.6	114.3	0	0	110.1	K458 S459 N460 K535 Q536 M538	Q449-K458 HydrophobicContact CG-CB 4.45Å; Q449-S459 CarbonylContact C-O 3.59Å; Q449-S459 WeakPolarHBondContact CA-O 3.48Å; Q449-N460 WeakPolarHBondContact CG-OD1 3.37Å; Q449-N460 PolarHBondContact NE2-OD1 3.16Å; Q449-K535 CarbonylContact O-C 3.53Å; Q449-K535 WeakPolarHBondContact O-CA 3.41Å; Q449-Q536 PolarHBondContact N-O 2.86Å; Q449-Q536 PolarHBondContact O-N 2.97Å; Q449-M538 HydrophobicContact CB-CE 3.91Å
450	V	95.6	Very high	92.1	Very high	22 Å²	22	43.1 Å²	43.1	13%	0.133	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.9	172.4	-177.4	0	0	0	0	109	S459 L506 Y511 A533 R534 K535	V450-S459 PolarHBondContact N-O 3.12Å; V450-S459 PolarHBondContact O-N 3.04Å; V450-L506 HydrophobicContact CG1-CD1 4.32Å; V450-Y511 HydrophobicContact CB-CE2 4.5Å; V450-Y511 HydrophobicContact CG1-CD1 4.27Å; V450-Y511 HydrophobicContact CG1-CD2 3.88Å; V450-Y511 HydrophobicContact CG1-CE1 4.17Å; V450-Y511 HydrophobicContact CG1-CE2 3.79Å; V450-Y511 HydrophobicContact CG1-CG 4.12Å; V450-A533 HydrophobicContact CG1-CB 3.71Å; V450-R534 CarbonylContact C-O 3.46Å; V450-R534 WeakPolarHBondContact CA-O 3.41Å; V450-K535 HydrophobicContact CG2-CG 4.33Å
451	T	95.1	Very high	92.8	Very high	27 Å²	27	43.9 Å²	43.9	17%	0.166	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	117.1	178.4	-54.9	0	0	0	0	109.8	V453 Y457 K458 A533 R534	T451-V453 PolarHBondContact O-N 3.49Å; T451-Y457 WeakPolarHBondContact CA-O 3.41Å; T451-K458 HydrophobicContact CG2-CG 4.2Å; T451-A533 CarbonylContact O-C 3.55Å; T451-A533 VanDerWaalsContact O-CA 3.25Å; T451-A533 WeakPolarHBondContact O-CA 3.37Å; T451-A533 WeakPolarHBondContact O-CB 3.38Å; T451-R534 PolarHBondContact N-O 3.39Å; T451-R534 PolarHBondContact O-N 2.89Å
452	C	94.1	Very high	93.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	127.1	174.2	-179	0	0	0	0	110.4	S454 C455 N456 Y457 Y511 C513 S531	C452-S454 VanDerWaalsContact C-N 3.31Å; C452-S454 PolarHBondContact O-N 2.97Å; C452-S454 PolarHBondContact SG-N 3.17Å; C452-C455 VanDerWaalsContact SG-SG 3.64Å; C452-N456 WeakPolarHBondContact O-CA 3.47Å; C452-N456 PolarHBondContact O-N 3.34Å; C452-Y457 PolarHBondContact N-O 3.42Å; C452-Y511 HydrophobicContact CB-CD1 4.36Å; C452-Y511 HydrophobicContact CB-CE1 4Å; C452-C513 HydrophobicContact CB-CB 4.16Å; C452-S531 PolarHBondContact SG-OG 3.48Å
453	V	93	Very high	93.4	Very high	64 Å²	64	51.7 Å²	51.7	39%	0.388	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-31	178.9	177.5	0	0	0	0	111.5	T451 E532 R534	T451-V453 PolarHBondContact O-N 3.49Å; V453-E532 HydrophobicContact CB-CB 4.31Å; V453-E532 WeakPolarHBondContact CB-O 3.49Å; V453-E532 HydrophobicContact CG2-CB 4.22Å; V453-E532 PolarHBondContact N-O 3.09Å; V453-R534 HydrophobicContact CG2-CG 4.23Å
454	S	90.4	Very high	93.6	Very high	89 Å²	89	53.3 Å²	53.3	62%	0.622	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-31.6	-175.8	-50.1	0	0	0	0	114.2	C452	C452-S454 VanDerWaalsContact C-N 3.31Å; C452-S454 PolarHBondContact O-N 2.97Å; C452-S454 PolarHBondContact SG-N 3.17Å
455	C	90.7	Very high	93.6	Very high	47 Å²	47	53.9 Å²	53.9	32%	0.318	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	0.5	-175.3	70.4	0	0	0	0	114.9	C452 Y457	C452-C455 VanDerWaalsContact SG-SG 3.64Å; C455-Y457 PolarHBondContact O-N 2.98Å; C455-Y457 VanDerWaalsContact SG-CB 3.51Å
456	N	92.6	Very high	93.5	Very high	121 Å²	121	54.7 Å²	54.7	65%	0.647	30%	0.295	S	S	*	.			trans	57.1	15.1	-176.3	-64.5	-45.5	0	0	0	115.3	C452 K458	C452-N456 WeakPolarHBondContact O-CA 3.47Å; C452-N456 PolarHBondContact O-N 3.34Å; N456-K458 PolarHBondContact O-N 3.03Å
457	Y	92.6	Very high	93.4	Very high	89 Å²	89	55.5 Å²	55.5	35%	0.349	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-65.6	132.2	171.9	-179.3	-104.5	0	0	0	110.4	T451 C452 C455 Q515	T451-Y457 WeakPolarHBondContact CA-O 3.41Å; C452-Y457 PolarHBondContact N-O 3.42Å; C455-Y457 PolarHBondContact O-N 2.98Å; C455-Y457 VanDerWaalsContact SG-CB 3.51Å; Y457-Q515 HydrophobicContact CD1-CG 4Å; Y457-Q515 HydrophobicContact CD2-CG 3.42Å; Y457-Q515 VanDerWaalsContact CD2-CG 3.42Å; Y457-Q515 HydrophobicContact CE1-CG 4.37Å; Y457-Q515 HydrophobicContact CE2-CG 3.85Å; Y457-Q515 HydrophobicContact CG-CB 4.32Å; Y457-Q515 HydrophobicContact CG-CG 3.48Å; Y457-Q515 VanDerWaalsContact CG-CG 3.48Å
458	K	93.1	Very high	93.4	Very high	116 Å²	116	55 Å²	55	50%	0.504	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120	178.2	-64	-177	169.1	-148.8	0	109.7	Q449 T451 N456	Q449-K458 HydrophobicContact CG-CB 4.45Å; T451-K458 HydrophobicContact CG2-CG 4.2Å; N456-K458 PolarHBondContact O-N 3.03Å
459	S	93.6	Very high	93.4	Very high	31 Å²	31	56.2 Å²	56.2	22%	0.217	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.6	170.9	-179.3	0	0	0	0	108.6	Q449 V450 Y511	Q449-S459 CarbonylContact C-O 3.59Å; Q449-S459 WeakPolarHBondContact CA-O 3.48Å; V450-S459 PolarHBondContact N-O 3.12Å; V450-S459 PolarHBondContact O-N 3.04Å; S459-Y511 WeakPolarHBondContact CB-OH 3.34Å
460	N	94.1	Very high	93.5	Very high	86 Å²	86	55.1 Å²	55.1	46%	0.46	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.5	-175.6	-75.4	-16.2	0	0	0	109.5	L447 S448 Q449	L447-N460 HydrophobicContact CD1-CB 3.75Å; S448-N460 WeakPolarHBondContact O-CA 3.4Å; Q449-N460 WeakPolarHBondContact CG-OD1 3.37Å; Q449-N460 PolarHBondContact NE2-OD1 3.16Å
461	T	94.8	Very high	93.4	Very high	68 Å²	68	59 Å²	59	42%	0.417	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.6	173.5	-55.9	0	0	0	0	109.1	S448 E463	S448-T461 PolarHBondContact N-O 2.89Å; S448-T461 PolarHBondContact O-N 3.02Å; T461-E463 HydrophobicContact CG2-CG 4.12Å
462	I	95.2	Very high	93.3	Very high	82 Å²	82	57.8 Å²	57.8	42%	0.421	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.7	177.1	-59.3	173.7	0	0	0	108.6	Q445 L446 L447 Y540	Q445-I462 HydrophobicContact CB-CG2 3.89Å; Q445-I462 HydrophobicContact CG-CG2 4.31Å; L446-I462 CarbonylContact O-C 3.52Å; L446-I462 WeakPolarHBondContact O-CA 3.49Å; L447-I462 HydrophobicContact CD1-CG1 4.33Å; I462-Y540 HydrophobicContact CD1-CD1 4.22Å; I462-Y540 HydrophobicContact CD1-CE1 3.9Å; I462-Y540 HydrophobicContact CD1-CE2 4.29Å; I462-Y540 HydrophobicContact CG2-CD1 4.22Å
463	E	92.8	Very high	93.1	Very high	84 Å²	84	58.1 Å²	58.1	39%	0.393	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.8	-177	-65.4	177.4	-179.6	0	0	110.1	Q445 L446 T461	Q445-E463 CarbonylContact C-O 3.5Å; Q445-E463 WeakPolarHBondContact CA-O 3.49Å; L446-E463 PolarHBondContact N-O 3.24Å; L446-E463 PolarHBondContact O-N 3.19Å; T461-E463 HydrophobicContact CG2-CG 4.12Å
464	P	92.6	Very high	92.8	Very high	86 Å²	86	62.3 Å²	62.3	56%	0.558	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	149.2	176.4	31.1	-34.6	0	0	0	111.4	H443 G444	H443-P464 WeakPolarHBondContact NE2-CB 3.39Å; G444-P464 WeakPolarHBondContact O-CA 3.5Å
465	F	92.3	Very high	92.5	Very high	12 Å²	12	63.9 Å²	63.9	5%	0.053	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	153.1	173	76.9	-90.4	0	0	0	112.2	G444 Q445 L446 L468 I539 P543 L546	G444-F465 VanDerWaalsContact CA-CE1 3.45Å; G444-F465 PolarHBondContact N-O 3.42Å; G444-F465 PolarHBondContact O-N 2.74Å; Q445-F465 VanDerWaalsContact N-CE1 3.26Å; L446-F465 HydrophobicContact CD1-CB 4.37Å; L446-F465 HydrophobicContact CD1-CD1 4.42Å; L446-F465 HydrophobicContact CD2-CD1 3.9Å; L446-F465 HydrophobicContact CD2-CE1 3.94Å; L446-F465 HydrophobicContact CG-CB 4.38Å; L446-F465 HydrophobicContact CG-CD1 3.59Å; L446-F465 HydrophobicContact CG-CE1 4.13Å; L446-F465 HydrophobicContact CG-CG 4.22Å; F465-L468 HydrophobicContact CD1-CD2 4.42Å; F465-L468 HydrophobicContact CD2-CD2 3.55Å; F465-L468 HydrophobicContact CD2-CG 4.03Å; F465-L468 HydrophobicContact CE1-CD2 4.39Å; F465-L468 HydrophobicContact CE2-CD1 4.33Å; F465-L468 HydrophobicContact CE2-CD2 3.58Å; F465-L468 HydrophobicContact CE2-CG 3.73Å; F465-L468 HydrophobicContact CG-CD2 3.99Å; F465-L468 HydrophobicContact CZ-CD2 4Å; F465-L468 HydrophobicContact CZ-CG 4.33Å; F465-I539 HydrophobicContact CE1-CD1 4.42Å; F465-I539 HydrophobicContact CZ-CD1 4.38Å; F465-P543 HydrophobicContact CE2-CG 4.32Å; F465-P543 HydrophobicContact CZ-CG 4.38Å; F465-L546 HydrophobicContact CE2-CD1 4.17Å
466	W	89.4	Confident	92.2	Very high	68 Å²	68	62.6 Å²	62.6	26%	0.258	31%	0.308	S	S	.	.	S	Bend	trans	-116.3	-25	178.6	-67.3	77.2	0	0	0	112.9	F442 R547	F442-W466 HydrophobicContact CB-CE3 3.86Å; F442-W466 HydrophobicContact CB-CZ3 4.28Å; W466-R547 WeakPolarHBondContact O-CD 3.48Å; W466-R547 PolarHBondContact O-NH1 3.5Å
467	D	93.2	Very high	91.5	Very high	32 Å²	32	59 Å²	59	17%	0.171	29%	0.287	C	S	.	.			trans	-145.2	152.3	171.3	66.1	-79.9	0	0	0	109.9	Q398 S469 R547	Q398-D467 PolarHBondContact NE2-OD2 3.43Å; D467-S469 PolarHBondContact OD2-OG 2.72Å; D467-R547 WeakPolarHBondContact CA-O 3.3Å; D467-R547 HydrophobicContact CB-CB 3.98Å; D467-R547 IonicContact OD1-NH2 3.8Å
468	L	95.9	Very high	90	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	107.2	167.3	-58.2	179.3	0	0	0	107.8	L446 F465 L470 L497 F500 I539 L546 R547 L548 H549 M576	L446-L468 HydrophobicContact CD2-CD2 4.06Å; F465-L468 HydrophobicContact CD1-CD2 4.42Å; F465-L468 HydrophobicContact CD2-CD2 3.55Å; F465-L468 HydrophobicContact CD2-CG 4.03Å; F465-L468 HydrophobicContact CE1-CD2 4.39Å; F465-L468 HydrophobicContact CE2-CD1 4.33Å; F465-L468 HydrophobicContact CE2-CD2 3.58Å; F465-L468 HydrophobicContact CE2-CG 3.73Å; F465-L468 HydrophobicContact CG-CD2 3.99Å; F465-L468 HydrophobicContact CZ-CD2 4Å; F465-L468 HydrophobicContact CZ-CG 4.33Å; L468-L470 HydrophobicContact CB-CD2 4.06Å; L468-L470 PolarHBondContact O-N 3.45Å; L468-L497 HydrophobicContact CD1-CD2 4.4Å; L468-F500 HydrophobicContact CD2-CE1 3.98Å; L468-F500 HydrophobicContact CD2-CZ 3.86Å; L468-I539 HydrophobicContact CD1-CD1 3.88Å; L468-I539 HydrophobicContact CD2-CD1 4.29Å; L468-L546 HydrophobicContact CD1-CD1 3.96Å; L468-L546 HydrophobicContact CG-CD1 4.35Å; L468-R547 PolarHBondContact N-O 3.06Å; L468-L548 HydrophobicContact CB-CD2 3.82Å; L468-L548 HydrophobicContact CD1-CD2 3.85Å; L468-L548 HydrophobicContact CG-CD2 4.23Å; L468-H549 PolarHBondContact O-N 3.45Å; L468-M576 HydrophobicContact CD1-CE 4.5Å
469	S	96.6	Very high	88.4	Confident	33 Å²	33	60 Å²	60	23%	0.231	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	99.5	175.3	-78.1	0	0	0	0	109.8	D467 H549 K551	D467-S469 PolarHBondContact OD2-OG 2.72Å; S469-H549 CarbonylContact C-O 3.59Å; S469-H549 WeakPolarHBondContact CA-O 3.46Å; S469-H549 PolarHBondContact OG-ND1 2.97Å; S469-K551 WeakPolarHBondContact O-CE 3.38Å
470	L	96.5	Very high	86.1	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	131.2	-172.4	-54.2	-178.3	0	0	0	111.8	L468 L493 M496 L497 F500 L548 H549 L550 K551	L468-L470 HydrophobicContact CB-CD2 4.06Å; L468-L470 PolarHBondContact O-N 3.45Å; L470-L493 HydrophobicContact CD1-CD1 3.8Å; L470-M496 HydrophobicContact CB-CB 4.19Å; L470-M496 HydrophobicContact CB-CE 3.84Å; L470-M496 HydrophobicContact CD1-CB 4.08Å; L470-L497 HydrophobicContact CD1-CD2 3.97Å; L470-L497 HydrophobicContact CD1-CG 4.11Å; L470-L497 HydrophobicContact CD2-CD2 3.93Å; L470-F500 HydrophobicContact CD2-CB 3.93Å; L470-F500 HydrophobicContact CD2-CD2 4.11Å; L470-F500 HydrophobicContact CD2-CG 4.03Å; L470-L548 HydrophobicContact CD1-CB 4.25Å; L470-L548 HydrophobicContact CD1-CD2 4.41Å; L470-H549 PolarHBondContact N-O 2.76Å; L470-L550 HydrophobicContact CB-CD2 4.22Å; L470-L550 HydrophobicContact CD1-CD2 4.01Å; L470-K551 WeakPolarHBondContact O-CB 3.46Å; L470-K551 PolarHBondContact O-N 2.95Å
471	E	93.8	Very high	83.7	Confident	102 Å²	102	72.7 Å²	72.7	48%	0.477	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-88.9	142.8	176.6	-77.3	177.4	-164	0	0	111.6	K551	E471-K551 HydrophobicContact CG-CD 3.71Å; E471-K551 IonicContact OE1-NZ 2.88Å; E471-K551 PolarHBondContact OE1-NZ 2.92Å
472	F	92.3	Very high	81.4	Confident	2 Å²	2	72.5 Å²	72.5	1%	0.009	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-69.4	139.9	170.7	-74.7	-96.3	0	0	0	109.5	H477 M496 K499 L550 K551 R552 I564 V568	F472-H477 PolarHBondContact O-CE1 3.41Å; F472-H477 PolarHBondContact O-NE2 3.09Å; F472-H477 VanDerWaalsContact O-NE2 3.13Å; F472-M496 HydrophobicContact CD1-CE 4.18Å; F472-M496 HydrophobicContact CD2-CE 3.9Å; F472-M496 HydrophobicContact CE1-CE 4.21Å; F472-M496 HydrophobicContact CE1-SD 4.4Å; F472-M496 HydrophobicContact CE2-CE 3.92Å; F472-M496 HydrophobicContact CG-CE 4.03Å; F472-M496 HydrophobicContact CZ-CE 4.08Å; F472-K499 PolarHBondContact O-NZ 2.98Å; F472-L550 HydrophobicContact CE2-CB 4.3Å; F472-L550 HydrophobicContact CZ-CB 4.41Å; F472-K551 WeakPolarHBondContact CD2-O 3.44Å; F472-R552 HydrophobicContact CE2-CB 4.42Å; F472-R552 HydrophobicContact CE2-CG 3.76Å; F472-R552 HydrophobicContact CZ-CG 3.88Å; F472-I564 HydrophobicContact CB-CD1 3.76Å; F472-I564 HydrophobicContact CD1-CD1 4.41Å; F472-I564 HydrophobicContact CD1-CG2 3.87Å; F472-I564 HydrophobicContact CD2-CD1 3.58Å; F472-I564 HydrophobicContact CD2-CG2 4.45Å; F472-I564 HydrophobicContact CE1-CG2 3.87Å; F472-I564 HydrophobicContact CE2-CB 4.47Å; F472-I564 HydrophobicContact CE2-CD1 4.3Å; F472-I564 HydrophobicContact CE2-CG2 4.48Å; F472-I564 HydrophobicContact CG-CD1 3.65Å; F472-I564 HydrophobicContact CG-CG2 4.16Å; F472-I564 HydrophobicContact CZ-CG2 4.2Å; F472-V568 HydrophobicContact CE1-CG2 3.49Å; F472-V568 VanDerWaalsContact CE1-CG2 3.49Å; F472-V568 HydrophobicContact CZ-CG2 3.78Å
473	P	90.6	Very high	78.9	Confident	8 Å²	8	78.4 Å²	78.4	5%	0.052	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-55	143.6	165.6	-25.9	31.6	0	0	0	111.7	R475 Y476 E495 K499	P473-R475 HydrophobicContact CB-CG 4.37Å; P473-R475 PolarHBondContact O-N 3.34Å; P473-R475 VanDerWaalsContact O-N 3.08Å; P473-Y476 HydrophobicContact CB-CD2 3.8Å; P473-Y476 HydrophobicContact CB-CE2 4.03Å; P473-Y476 HydrophobicContact CG-CD2 3.92Å; P473-Y476 HydrophobicContact CG-CE2 3.91Å; P473-Y476 PolarHBondContact O-N 3.49Å; P473-E495 WeakPolarHBondContact CG-OE1 2.86Å; P473-K499 HydrophobicContact CB-CD 4.3Å; P473-K499 HydrophobicContact CG-CD 4.13Å
474	E	85.7	Confident	76.7	Confident	151 Å²	151	79 Å²	79	71%	0.706	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-59.4	-29.8	-169.8	-66.2	-176.6	168	0	0	113.5	Y476 H477	E474-Y476 PolarHBondContact O-N 3.01Å; E474-H477 WeakPolarHBondContact O-CB 3.47Å; E474-H477 PolarHBondContact O-N 3.03Å
475	R	84.8	Confident	74.3	Confident	122 Å²	122	79.3 Å²	79.3	46%	0.46	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-62.4	-22	176.4	68.6	-175.5	-169	-79.7	-1.3	114.3	P473 H477 E495	P473-R475 HydrophobicContact CB-CG 4.37Å; P473-R475 PolarHBondContact O-N 3.34Å; P473-R475 VanDerWaalsContact O-N 3.08Å; R475-H477 VanDerWaalsContact C-N 3.33Å; R475-E495 IonicContact CZ-OE1 3.33Å; R475-E495 IonicContact CZ-OE2 3.89Å; R475-E495 IonicContact NH1-OE1 3.44Å; R475-E495 PolarHBondContact NH1-OE1 3.32Å; R475-E495 IonicContact NH2-OE1 2.91Å; R475-E495 PolarHBondContact NH2-OE1 3.11Å; R475-E495 IonicContact NH2-OE2 2.76Å; R475-E495 PolarHBondContact NH2-OE2 2.86Å
476	Y	83.4	Confident	72.2	Confident	20 Å²	20	86.2 Å²	86.2	8%	0.078	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-89.5	-1.9	174.4	-58.9	-63.9	0	0	0	112.8	P473 E474 E490 C491 V566	P473-Y476 HydrophobicContact CB-CD2 3.8Å; P473-Y476 HydrophobicContact CB-CE2 4.03Å; P473-Y476 HydrophobicContact CG-CD2 3.92Å; P473-Y476 HydrophobicContact CG-CE2 3.91Å; P473-Y476 PolarHBondContact O-N 3.49Å; E474-Y476 PolarHBondContact O-N 3.01Å; Y476-E490 PolarHBondContact OH-O 2.94Å; Y476-C491 HydrophobicContact CD2-CB 4.13Å; Y476-C491 HydrophobicContact CE1-CB 4.23Å; Y476-C491 HydrophobicContact CE2-CB 3.63Å; Y476-V566 HydrophobicContact CD1-CG1 3.95Å; Y476-V566 HydrophobicContact CD1-CG2 4.22Å; Y476-V566 HydrophobicContact CE1-CG1 4.26Å
477	H	79.2	Confident	70.2	Confident	46 Å²	46	90.2 Å²	90.2	21%	0.213	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-41.4	175.3	-61.3	170.6	0	0	0	110.2	F472 E474 R475 I479 R554	F472-H477 PolarHBondContact O-CE1 3.41Å; F472-H477 PolarHBondContact O-NE2 3.09Å; F472-H477 VanDerWaalsContact O-NE2 3.13Å; E474-H477 WeakPolarHBondContact O-CB 3.47Å; E474-H477 PolarHBondContact O-N 3.03Å; R475-H477 VanDerWaalsContact C-N 3.33Å; H477-I479 PolarHBondContact O-N 3.37Å; H477-R554 VanDerWaalsContact C-NH2 3.31Å; H477-R554 PolarHBondContact O-NH2 3.38Å
478	C	60.6	Low	68.3	Low	100 Å²	100	94.8 Å²	94.8	68%	0.676	49%	0.489	S	S	*	.			trans	-91.1	98.1	-176.4	-59.9	0	0	0	0	112.1	E480	C478-E480 VanDerWaalsContact C-N 3.3Å; C478-E480 PolarHBondContact O-N 3.09Å
479	I	58.3	Low	66.9	Low	125 Å²	125	99 Å²	99	64%	0.641	52%	0.515	S	S	*	.			trans	-91.8	74	158.7	-51.4	177.1	0	0	0	107	H477 K481	H477-I479 PolarHBondContact O-N 3.37Å; I479-K481 PolarHBondContact O-N 3.29Å
480	E	46.1	Very low	66	Low	172 Å²	172	102.7 Å²	102.7	80%	0.804	53%	0.528	S	S	*	.			trans	-67.7	129.7	162	-84.1	-168.5	161.2	0	0	108.6	C478 G482	C478-E480 VanDerWaalsContact C-N 3.3Å; C478-E480 PolarHBondContact O-N 3.09Å; E480-G482 PolarHBondContact O-N 3.22Å
481	K	43.7	Very low	65.7	Low	212 Å²	212	102.7 Å²	102.7	92%	0.922	53%	0.528	S	S	*	.	S	Bend	trans	-57.4	107.2	178.3	-64.8	175.5	178.4	178.9	0	109.4	I479	I479-K481 PolarHBondContact O-N 3.29Å
482	G	46.8	Very low	65.7	Low	65 Å²	65	101.9 Å²	101.9	67%	0.67	53%	0.527	S	S	*	.	S	Bend	trans	156	-40.6	154	0	0	0	0	0	119	E480	E480-G482 PolarHBondContact O-N 3.22Å
483	F	41.9	Very low	65.9	Low	206 Å²	206	102 Å²	102	90%	0.904	53%	0.527	S	S	*	.			trans	-153.5	111.1	-173.3	-104.8	-95	0	0	0	110.5
484	V	46	Very low	66.1	Low	96 Å²	96	104.3 Å²	104.3	58%	0.582	54%	0.542	S	S	*	.			trans	-122.2	124.3	163.1	-171.3	0	0	0	0	106.6
485	P	44	Very low	66.5	Low	93 Å²	93	99.3 Å²	99.3	60%	0.604	52%	0.518	S	S	*	.			trans	-57.6	139.7	176.8	-20.4	31	0	0	0	110.9	N487	P485-N487 PolarHBondContact O-N 3.44Å
486	L	48.3	Very low	67.1	Low	157 Å²	157	93.5 Å²	93.5	82%	0.822	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-5.4	-173.1	-98	95.3	0	0	0	116.4
487	N	46	Very low	67.7	Low	151 Å²	151	92.7 Å²	92.7	81%	0.807	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	2.3	-167.7	-57.5	-1.3	0	0	0	114.1	P485	P485-N487 PolarHBondContact O-N 3.44Å
488	Q	54.5	Low	68.5	Low	128 Å²	128	92.7 Å²	92.7	60%	0.598	50%	0.501	S	S	*	.			trans	-135.2	46.5	-177.6	-77.1	176.7	-8.9	0	0	112.6
489	T	65.1	Low	70.1	Confident	90 Å²	90	90.6 Å²	90.6	55%	0.552	48%	0.48	S	S	*	.			trans	-89.3	-15.7	-172.4	49.5	0	0	0	0	114.9
490	E	78.1	Confident	71.9	Confident	111 Å²	111	86.8 Å²	86.8	52%	0.519	46%	0.459	S	S	.	.			trans	-128.3	131.7	-168.4	-66.2	-177.4	161.4	0	0	111.4	Y476 V569	Y476-E490 PolarHBondContact OH-O 2.94Å; E490-V569 HydrophobicContact CB-CG2 3.79Å; E490-V569 HydrophobicContact CG-CG2 4.19Å; E490-V569 WeakPolarHBondContact OE2-CG2 3.32Å
491	C	90.6	Very high	74.2	Confident	0 Å²	0	79.4 Å²	79.4	0%	0	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124.4	176.6	180	0	0	0	0	108.8	Y476 M496 V566 H567 V568 V569	Y476-C491 HydrophobicContact CD2-CB 4.13Å; Y476-C491 HydrophobicContact CE1-CB 4.23Å; Y476-C491 HydrophobicContact CE2-CB 3.63Å; C491-M496 VanDerWaalsContact SG-CG 3.54Å; C491-V566 HydrophobicContact CB-CG1 4.06Å; C491-H567 PolarHBondContact N-O 2.91Å; C491-V568 HydrophobicContact CB-CG2 4.21Å; C491-V568 CarbonylContact O-C 3.56Å; C491-V568 WeakPolarHBondContact O-CA 3.1Å; C491-V569 PolarHBondContact O-N 3.43Å
492	L	94.4	Very high	76.7	Confident	85 Å²	85	75.3 Å²	75.3	45%	0.445	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	140.2	177.3	-65.6	158.7	0	0	0	109.8	T494 E495 M496 V569	L492-T494 PolarHBondContact O-N 2.66Å; L492-E495 HydrophobicContact CB-CB 3.98Å; L492-E495 VanDerWaalsContact O-CB 3.27Å; L492-E495 WeakPolarHBondContact O-CB 3.21Å; L492-E495 PolarHBondContact O-N 3.46Å; L492-M496 PolarHBondContact O-N 3.12Å; L492-V569 HydrophobicContact CD2-CB 4.07Å; L492-V569 HydrophobicContact CD2-CG1 4.08Å
493	L	95.9	Very high	79	Confident	4 Å²	4	75.5 Å²	75.5	2%	0.021	40%	0.399	C	S	.	.	H	α-helix	trans	-58.6	-39.2	173.6	179.2	64.8	0	0	0	111.9	L470 E495 M496 L497 L548 L550 V568 V569 F570 L574 L649 Y651	L470-L493 HydrophobicContact CD1-CD1 3.8Å; L493-E495 PolarHBondContact O-N 3.46Å; L493-M496 PolarHBondContact O-N 3Å; L493-L497 HydrophobicContact CG-CD1 4.32Å; L493-L497 WeakPolarHBondContact O-CG 3.22Å; L493-L497 PolarHBondContact O-N 3.23Å; L493-L548 HydrophobicContact CD1-CD1 3.97Å; L493-L548 HydrophobicContact CD2-CD1 3.87Å; L493-L548 HydrophobicContact CG-CD1 4.27Å; L493-L550 HydrophobicContact CD1-CD2 4.08Å; L493-V568 HydrophobicContact CB-CG1 4.17Å; L493-V569 WeakPolarHBondContact CB-O 3.44Å; L493-V569 PolarHBondContact N-O 3.42Å; L493-F570 HydrophobicContact CB-CB 4Å; L493-F570 HydrophobicContact CD2-CB 3.76Å; L493-F570 HydrophobicContact CG-CB 4.5Å; L493-L574 HydrophobicContact CD2-CD1 4.33Å; L493-L574 HydrophobicContact CD2-CD2 4.2Å; L493-L649 HydrophobicContact CD1-CD1 3.86Å; L493-L649 HydrophobicContact CD2-CD1 3.82Å; L493-L649 HydrophobicContact CG-CD1 4.45Å; L493-Y651 HydrophobicContact CD2-CE2 3.93Å
494	T	95.3	Very high	81.4	Confident	57 Å²	57	70.8 Å²	70.8	35%	0.35	38%	0.379	S	S	.	.	H	α-helix	trans	-61.1	-34.1	176.1	49.6	0	0	0	0	112.2	L492 L497 A498 L574 Y579	L492-T494 PolarHBondContact O-N 2.66Å; T494-L497 PolarHBondContact O-N 3.31Å; T494-A498 WeakPolarHBondContact O-CB 3.36Å; T494-A498 PolarHBondContact O-N 3.32Å; T494-L574 HydrophobicContact CG2-CD1 4.45Å; T494-Y579 WeakPolarHBondContact CA-OH 3.2Å; T494-Y579 VanDerWaalsContact CB-OH 3.29Å; T494-Y579 WeakPolarHBondContact CB-OH 3.27Å; T494-Y579 PolarHBondContact O-OH 3.14Å; T494-Y579 VanDerWaalsContact O-OH 3.12Å
495	E	94.5	Very high	83.7	Confident	46 Å²	46	69.8 Å²	69.8	22%	0.215	38%	0.381	C	S	.	.	H	α-helix	trans	-70.3	-39.7	176.4	-164.1	-146.8	145.3	0	0	112	P473 R475 L492 L493 L497 A498 K499	P473-E495 WeakPolarHBondContact CG-OE1 2.86Å; R475-E495 IonicContact CZ-OE1 3.33Å; R475-E495 IonicContact CZ-OE2 3.89Å; R475-E495 IonicContact NH1-OE1 3.44Å; R475-E495 PolarHBondContact NH1-OE1 3.32Å; R475-E495 IonicContact NH2-OE1 2.91Å; R475-E495 PolarHBondContact NH2-OE1 3.11Å; R475-E495 IonicContact NH2-OE2 2.76Å; R475-E495 PolarHBondContact NH2-OE2 2.86Å; L492-E495 HydrophobicContact CB-CB 3.98Å; L492-E495 VanDerWaalsContact O-CB 3.27Å; L492-E495 WeakPolarHBondContact O-CB 3.21Å; L492-E495 PolarHBondContact O-N 3.46Å; L493-E495 PolarHBondContact O-N 3.46Å; E495-L497 VanDerWaalsContact C-N 3.32Å; E495-L497 PolarHBondContact O-N 2.98Å; E495-A498 PolarHBondContact O-N 3.29Å; E495-K499 PolarHBondContact O-N 2.9Å
496	M	96.1	Very high	85.9	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-63.9	-38.9	173.6	-60.7	-176.6	74.8	0	0	111.7	L470 F472 C491 L492 L493 F500 L550 V568	L470-M496 HydrophobicContact CB-CB 4.19Å; L470-M496 HydrophobicContact CB-CE 3.84Å; L470-M496 HydrophobicContact CD1-CB 4.08Å; F472-M496 HydrophobicContact CD1-CE 4.18Å; F472-M496 HydrophobicContact CD2-CE 3.9Å; F472-M496 HydrophobicContact CE1-CE 4.21Å; F472-M496 HydrophobicContact CE1-SD 4.4Å; F472-M496 HydrophobicContact CE2-CE 3.92Å; F472-M496 HydrophobicContact CG-CE 4.03Å; F472-M496 HydrophobicContact CZ-CE 4.08Å; C491-M496 VanDerWaalsContact SG-CG 3.54Å; L492-M496 PolarHBondContact O-N 3.12Å; L493-M496 PolarHBondContact O-N 3Å; M496-F500 WeakPolarHBondContact O-CB 3.22Å; M496-F500 PolarHBondContact O-N 3.05Å; M496-L550 HydrophobicContact CE-CD2 3.94Å; M496-L550 HydrophobicContact SD-CD2 3.93Å; M496-V568 HydrophobicContact SD-CG1 3.88Å; M496-V568 HydrophobicContact SD-CG2 3.89Å
497	L	96.4	Very high	87.6	Confident	2 Å²	2	68.5 Å²	68.5	1%	0.01	36%	0.364	C	S	.	.	H	α-helix	trans	-66.5	-41.6	174	-72.7	166.5	0	0	0	111.8	L468 L470 L493 T494 E495 K499 F500 T501 L548 L574 M576 Y579	L468-L497 HydrophobicContact CD1-CD2 4.4Å; L470-L497 HydrophobicContact CD1-CD2 3.97Å; L470-L497 HydrophobicContact CD1-CG 4.11Å; L470-L497 HydrophobicContact CD2-CD2 3.93Å; L493-L497 HydrophobicContact CG-CD1 4.32Å; L493-L497 WeakPolarHBondContact O-CG 3.22Å; L493-L497 PolarHBondContact O-N 3.23Å; T494-L497 PolarHBondContact O-N 3.31Å; E495-L497 VanDerWaalsContact C-N 3.32Å; E495-L497 PolarHBondContact O-N 2.98Å; L497-K499 PolarHBondContact O-N 3.46Å; L497-F500 WeakPolarHBondContact O-CB 3.31Å; L497-F500 PolarHBondContact O-N 3.14Å; L497-T501 PolarHBondContact O-N 3.2Å; L497-T501 PolarHBondContact O-OG1 3Å; L497-L548 HydrophobicContact CD2-CD2 4.18Å; L497-L574 HydrophobicContact CD1-CD1 4.01Å; L497-L574 HydrophobicContact CD1-CD2 4.2Å; L497-M576 HydrophobicContact CD1-SD 4.06Å; L497-M576 HydrophobicContact CD2-CE 4.31Å; L497-Y579 HydrophobicContact CB-CD1 3.95Å; L497-Y579 HydrophobicContact CB-CD2 4.21Å; L497-Y579 HydrophobicContact CB-CE1 3.58Å; L497-Y579 HydrophobicContact CB-CE2 3.88Å; L497-Y579 HydrophobicContact CB-CG 4.26Å; L497-Y579 HydrophobicContact CD1-CD2 4.28Å; L497-Y579 HydrophobicContact CD1-CE2 3.79Å; L497-Y579 HydrophobicContact CG-CE2 4.44Å
498	A	94.9	Very high	89.3	Confident	46 Å²	46	63.5 Å²	63.5	38%	0.38	35%	0.348	S	S	.	.	H	α-helix	trans	-60.3	-46.7	175.8	0	0	0	0	0	111.1	T494 E495 F500 T501 E502 Y579	T494-A498 WeakPolarHBondContact O-CB 3.36Å; T494-A498 PolarHBondContact O-N 3.32Å; E495-A498 PolarHBondContact O-N 3.29Å; A498-F500 VanDerWaalsContact C-N 3.31Å; A498-F500 PolarHBondContact O-N 2.87Å; A498-T501 CarbonylContact O-C 3.6Å; A498-T501 PolarHBondContact O-N 3.44Å; A498-T501 VanDerWaalsContact O-N 3.14Å; A498-T501 PolarHBondContact O-OG1 2.94Å; A498-E502 PolarHBondContact O-N 3.02Å; A498-Y579 HydrophobicContact CB-CE1 4.19Å
499	K	94.7	Very high	90.7	Very high	56 Å²	56	65.5 Å²	65.5	24%	0.243	35%	0.35	C	S	.	.	H	α-helix	trans	-58.9	-41	173.7	-177.8	176.3	174.4	-177.4	0	111.8	F472 P473 E495 L497 T501 E502	F472-K499 PolarHBondContact O-NZ 2.98Å; P473-K499 HydrophobicContact CB-CD 4.3Å; P473-K499 HydrophobicContact CG-CD 4.13Å; E495-K499 PolarHBondContact O-N 2.9Å; L497-K499 PolarHBondContact O-N 3.46Å; K499-T501 VanDerWaalsContact C-N 3.27Å; K499-T501 PolarHBondContact O-N 3.39Å; K499-E502 WeakPolarHBondContact O-CB 3.37Å; K499-E502 PolarHBondContact O-N 3.49Å
500	F	95.9	Very high	91.8	Very high	45 Å²	45	66.5 Å²	66.5	20%	0.197	35%	0.351	C	S	.	.	H	α-helix	trans	-61.9	-34.2	177	179.9	-91.8	0	0	0	112.8	L446 L468 L470 M496 L497 A498 L537	L446-F500 HydrophobicContact CD1-CE1 4.46Å; L446-F500 HydrophobicContact CD1-CZ 4Å; L446-F500 HydrophobicContact CD2-CE1 4.03Å; L446-F500 HydrophobicContact CD2-CZ 4.36Å; L468-F500 HydrophobicContact CD2-CE1 3.98Å; L468-F500 HydrophobicContact CD2-CZ 3.86Å; L470-F500 HydrophobicContact CD2-CB 3.93Å; L470-F500 HydrophobicContact CD2-CD2 4.11Å; L470-F500 HydrophobicContact CD2-CG 4.03Å; M496-F500 WeakPolarHBondContact O-CB 3.22Å; M496-F500 PolarHBondContact O-N 3.05Å; L497-F500 WeakPolarHBondContact O-CB 3.31Å; L497-F500 PolarHBondContact O-N 3.14Å; A498-F500 VanDerWaalsContact C-N 3.31Å; A498-F500 PolarHBondContact O-N 2.87Å; F500-L537 HydrophobicContact CE1-CB 4.4Å; F500-L537 HydrophobicContact CE2-CD1 4.43Å; F500-L537 HydrophobicContact CZ-CD1 4.11Å
501	T	95.6	Very high	92.3	Very high	17 Å²	17	63 Å²	63	10%	0.104	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	8.1	178.4	59	0	0	0	0	114.9	L497 A498 K499 Q536 L537 Y579	L497-T501 PolarHBondContact O-N 3.2Å; L497-T501 PolarHBondContact O-OG1 3Å; A498-T501 CarbonylContact O-C 3.6Å; A498-T501 PolarHBondContact O-N 3.44Å; A498-T501 VanDerWaalsContact O-N 3.14Å; A498-T501 PolarHBondContact O-OG1 2.94Å; K499-T501 VanDerWaalsContact C-N 3.27Å; K499-T501 PolarHBondContact O-N 3.39Å; T501-Q536 WeakPolarHBondContact O-CG 3.43Å; T501-Q536 PolarHBondContact O-NE2 3.29Å; T501-L537 VanDerWaalsContact CA-O 3.23Å; T501-L537 WeakPolarHBondContact CA-O 3.45Å; T501-L537 WeakPolarHBondContact CB-O 3.31Å; T501-L537 WeakPolarHBondContact CG2-O 3.39Å; T501-Y579 HydrophobicContact CG2-CD1 4.33Å
502	E	95.1	Very high	92.3	Very high	127 Å²	127	64.8 Å²	64.8	59%	0.593	35%	0.348	S	S	*	.	S	Bend	trans	-67.7	151.7	179.1	-172.1	169.6	-153	0	0	110.6	A498 K499 E504	A498-E502 PolarHBondContact O-N 3.02Å; K499-E502 WeakPolarHBondContact O-CB 3.37Å; K499-E502 PolarHBondContact O-N 3.49Å; E502-E504 PolarHBondContact O-N 2.88Å
503	T	94.7	Very high	92.1	Very high	69 Å²	69	60.8 Å²	60.8	42%	0.423	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	114.2	174.2	-58.8	0	0	0	0	109.5	R534 K535	T503-R534 HydrophobicContact CG2-CB 3.79Å; T503-R534 HydrophobicContact CG2-CG 4.44Å; T503-K535 CarbonylContact C-O 3.52Å; T503-K535 WeakPolarHBondContact CA-O 3.4Å
504	E	93.9	Very high	91.8	Very high	107 Å²	107	64.8 Å²	64.8	50%	0.5	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	149.3	176.4	62.8	-179	172.1	0	0	111.5	E502 R534 K535	E502-E504 PolarHBondContact O-N 2.88Å; E504-R534 CarbonylContact O-C 3.57Å; E504-R534 VanDerWaalsContact O-CA 3.29Å; E504-R534 WeakPolarHBondContact O-CA 2.99Å; E504-K535 HydrophobicContact CG-CB 4.11Å; E504-K535 WeakPolarHBondContact CG-O 3.43Å; E504-K535 PolarHBondContact N-O 3.26Å; E504-K535 PolarHBondContact O-N 3.38Å
505	A	92.8	Very high	91.4	Very high	75 Å²	75	65.8 Å²	65.8	62%	0.62	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	132.1	170.5	0	0	0	0	0	109.3	E507	A505-E507 PolarHBondContact O-N 3.29Å
506	L	91.1	Very high	91	Very high	40 Å²	40	65.3 Å²	65.3	21%	0.209	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-70.4	123.1	170.1	-64.5	-176.7	0	0	0	108.7	V450 G508 I510 A533 K535	V450-L506 HydrophobicContact CG1-CD1 4.32Å; L506-G508 PolarHBondContact O-N 2.99Å; L506-I510 HydrophobicContact CB-CD1 4.22Å; L506-I510 HydrophobicContact CB-CG1 4.32Å; L506-A533 WeakPolarHBondContact CB-O 3.34Å; L506-A533 HydrophobicContact CD1-CB 4.1Å; L506-A533 PolarHBondContact N-O 2.99Å; L506-K535 HydrophobicContact CD2-CB 3.85Å; L506-K535 HydrophobicContact CD2-CD 4.15Å; L506-K535 HydrophobicContact CG-CB 4.18Å
507	E	83.7	Confident	90.6	Very high	182 Å²	182	65.6 Å²	65.6	85%	0.85	35%	0.352	S	S	*	.	S	Bend	trans	-64.7	117	-178.7	-69.6	-175	175.6	0	0	111.2	A505	A505-E507 PolarHBondContact O-N 3.29Å
508	G	82.4	Confident	90	Very high	46 Å²	46	67.9 Å²	67.9	47%	0.474	37%	0.369	S	S	.	.	S	Bend	trans	81.7	179.6	177.8	0	0	0	0	0	115	L506 I510	L506-G508 PolarHBondContact O-N 2.99Å; G508-I510 PolarHBondContact O-N 3.07Å; G508-I510 VanDerWaalsContact O-N 3.14Å
509	R	83.5	Confident	89.2	Confident	171 Å²	171	72.7 Å²	72.7	65%	0.645	38%	0.381	S	S	*	.	S	Bend	trans	-87.3	78.2	178.3	-69.1	177.3	-170.5	-178.2	4.1	109.4	L530 E532	R509-L530 HydrophobicContact CB-CB 4.11Å; R509-L530 WeakPolarHBondContact O-CB 3.33Å; R509-L530 WeakPolarHBondContact O-CD1 3.5Å; R509-E532 HydrophobicContact CG-CG 3.91Å; R509-E532 IonicContact NE-OE1 2.72Å
510	I	88.1	Confident	88.1	Confident	110 Å²	110	73.8 Å²	73.8	56%	0.564	38%	0.383	S	S	*	.			trans	-109.7	-13.3	-178.6	63.3	171.3	0	0	0	113.3	L506 G508	L506-I510 HydrophobicContact CB-CD1 4.22Å; L506-I510 HydrophobicContact CB-CG1 4.32Å; G508-I510 PolarHBondContact O-N 3.07Å; G508-I510 VanDerWaalsContact O-N 3.14Å
511	Y	89.6	Confident	87	Confident	37 Å²	37	79.4 Å²	79.4	15%	0.145	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-93.8	113.6	-173.4	179.9	-116.2	0	0	0	112.7	V450 C452 S459 C513 S531 A533	V450-Y511 HydrophobicContact CB-CE2 4.5Å; V450-Y511 HydrophobicContact CG1-CD1 4.27Å; V450-Y511 HydrophobicContact CG1-CD2 3.88Å; V450-Y511 HydrophobicContact CG1-CE1 4.17Å; V450-Y511 HydrophobicContact CG1-CE2 3.79Å; V450-Y511 HydrophobicContact CG1-CG 4.12Å; C452-Y511 HydrophobicContact CB-CD1 4.36Å; C452-Y511 HydrophobicContact CB-CE1 4Å; S459-Y511 WeakPolarHBondContact CB-OH 3.34Å; Y511-C513 HydrophobicContact CD1-CB 3.96Å; Y511-C513 HydrophobicContact CE1-CB 3.58Å; Y511-C513 PolarHBondContact O-N 3.13Å; Y511-S531 WeakPolarHBondContact CB-O 3.44Å; Y511-S531 PolarHBondContact N-O 3.16Å; Y511-S531 PolarHBondContact O-N 3.44Å; Y511-S531 PolarHBondContact O-OG 3.13Å; Y511-A533 HydrophobicContact CD1-CB 3.63Å; Y511-A533 HydrophobicContact CE1-CB 4.47Å; Y511-A533 HydrophobicContact CG-CB 3.76Å
512	A	90.3	Very high	85.7	Confident	39 Å²	39	88 Å²	88	32%	0.322	44%	0.439	S	S	.	.			trans	-81.6	88.6	172.9	0	0	0	0	0	110.7	D514 L530	A512-D514 PolarHBondContact O-N 2.93Å; A512-L530 HydrophobicContact CB-CD2 3.83Å
513	C	89.9	Confident	84.4	Confident	0 Å²	0	86.1 Å²	86.1	0%	0	44%	0.44	C	S	.	.			trans	-67.7	125.8	-179.2	179.2	0	0	0	0	112.2	C452 Y511 Q515 C516 N517	C452-C513 HydrophobicContact CB-CB 4.16Å; Y511-C513 HydrophobicContact CD1-CB 3.96Å; Y511-C513 HydrophobicContact CE1-CB 3.58Å; Y511-C513 PolarHBondContact O-N 3.13Å; C513-Q515 PolarHBondContact O-N 3.03Å; C513-C516 HydrophobicContact CB-CB 4.03Å; C513-C516 PolarHBondContact O-N 3.41Å; C513-N517 WeakPolarHBondContact O-CB 3.42Å; C513-N517 PolarHBondContact O-N 3.41Å; C513-N517 PolarHBondContact O-ND2 3.36Å
514	D	88.4	Confident	83	Confident	88 Å²	88	86.5 Å²	86.5	47%	0.471	44%	0.439	S	S	.	.	H	α-helix	trans	-61.5	-40.2	179.3	-70.8	-38.4	0	0	0	112.9	A512 S518	A512-D514 PolarHBondContact O-N 2.93Å; D514-S518 WeakPolarHBondContact O-CA 3.18Å; D514-S518 WeakPolarHBondContact O-CB 3.37Å; D514-S518 PolarHBondContact O-N 2.96Å; D514-S518 PolarHBondContact O-OG 3.1Å
515	Q	87.5	Confident	81.8	Confident	79 Å²	79	87.7 Å²	87.7	37%	0.369	46%	0.457	S	S	.	.	H	α-helix	trans	-68.3	-45.3	-179.7	-68.8	-64.3	-12.7	0	0	112.1	Y457 C513 K519	Y457-Q515 HydrophobicContact CD1-CG 4Å; Y457-Q515 HydrophobicContact CD2-CG 3.42Å; Y457-Q515 VanDerWaalsContact CD2-CG 3.42Å; Y457-Q515 HydrophobicContact CE1-CG 4.37Å; Y457-Q515 HydrophobicContact CE2-CG 3.85Å; Y457-Q515 HydrophobicContact CG-CB 4.32Å; Y457-Q515 HydrophobicContact CG-CG 3.48Å; Y457-Q515 VanDerWaalsContact CG-CG 3.48Å; C513-Q515 PolarHBondContact O-N 3.03Å; Q515-K519 WeakPolarHBondContact O-CG 3.48Å; Q515-K519 PolarHBondContact O-N 2.9Å; Q515-K519 VanDerWaalsContact O-N 3.15Å
516	C	86.9	Confident	80.6	Confident	36 Å²	36	90.1 Å²	90.1	24%	0.243	45%	0.453	C	S	.	.	H	α-helix	trans	-62.8	-44.9	176.6	-66.6	0	0	0	0	111.5	C513 R520	C513-C516 HydrophobicContact CB-CB 4.03Å; C513-C516 PolarHBondContact O-N 3.41Å; C516-R520 WeakPolarHBondContact O-CB 3.22Å; C516-R520 PolarHBondContact O-N 3.5Å
517	N	86.9	Confident	79.8	Confident	5 Å²	5	93.4 Å²	93.4	3%	0.027	48%	0.477	C	S	.	.	H	α-helix	trans	-77.5	-27.3	-177.4	-74.8	-73.2	0	0	0	113.2	C513 R520 R521 L528 V529	C513-N517 WeakPolarHBondContact O-CB 3.42Å; C513-N517 PolarHBondContact O-N 3.41Å; C513-N517 PolarHBondContact O-ND2 3.36Å; N517-R520 PolarHBondContact O-N 3.17Å; N517-R521 WeakPolarHBondContact O-CB 3.31Å; N517-R521 WeakPolarHBondContact O-CG 3.47Å; N517-R521 PolarHBondContact O-N 2.7Å; N517-L528 HydrophobicContact CB-CD2 4.04Å; N517-V529 PolarHBondContact ND2-O 2.91Å; N517-V529 PolarHBondContact OD1-N 3.09Å
518	S	84.6	Confident	79.7	Confident	51 Å²	51	90 Å²	90	36%	0.357	46%	0.464	S	S	.	.	H	α-helix	trans	-70.8	-41.5	173.5	-64.1	0	0	0	0	111.9	D514 R520	D514-S518 WeakPolarHBondContact O-CA 3.18Å; D514-S518 WeakPolarHBondContact O-CB 3.37Å; D514-S518 PolarHBondContact O-N 2.96Å; D514-S518 PolarHBondContact O-OG 3.1Å; S518-R520 VanDerWaalsContact C-N 3.29Å; S518-R520 PolarHBondContact O-N 3.44Å
519	K	77.3	Confident	79.7	Confident	147 Å²	147	90.8 Å²	90.8	64%	0.639	46%	0.459	S	S	*	.	H	α-helix	trans	-61.2	-40.2	172.8	-71.9	178	-177.5	-177.7	0	111.4	Q515	Q515-K519 WeakPolarHBondContact O-CG 3.48Å; Q515-K519 PolarHBondContact O-N 2.9Å; Q515-K519 VanDerWaalsContact O-N 3.15Å
520	R	72.1	Confident	80	Confident	78 Å²	78	86.4 Å²	86.4	29%	0.294	45%	0.448	S	S	.	.	H	α-helix	trans	-73.8	-39	-178.8	-166.6	165.9	173.9	-107.1	16.6	113.6	C516 N517 S518 K522 S523 N524 P527 V529	C516-R520 WeakPolarHBondContact O-CB 3.22Å; C516-R520 PolarHBondContact O-N 3.5Å; N517-R520 PolarHBondContact O-N 3.17Å; S518-R520 VanDerWaalsContact C-N 3.29Å; S518-R520 PolarHBondContact O-N 3.44Å; R520-K522 PolarHBondContact O-N 2.92Å; R520-S523 WeakPolarHBondContact CA-OG 3.21Å; R520-S523 CarbonylContact O-C 3.59Å; R520-S523 WeakPolarHBondContact O-CA 3.4Å; R520-S523 PolarHBondContact O-N 2.96Å; R520-S523 PolarHBondContact O-OG 3.5Å; R520-N524 PolarHBondContact O-N 3.07Å; R520-P527 PolarHBondContact NH1-O 3.39Å; R520-V529 VanDerWaalsContact NH1-CG2 3.26Å
521	R	72.2	Confident	79.9	Confident	164 Å²	164	81.5 Å²	81.5	62%	0.619	42%	0.424	S	S	*	.	H	α-helix	trans	-56.8	-31.8	176	-90.1	-172.5	-98.7	-171.9	-6.1	113	N517 S523	N517-R521 WeakPolarHBondContact O-CB 3.31Å; N517-R521 WeakPolarHBondContact O-CG 3.47Å; N517-R521 PolarHBondContact O-N 2.7Å; R521-S523 PolarHBondContact O-N 3.42Å
522	K	69.2	Low	80.1	Confident	198 Å²	198	84.1 Å²	84.1	86%	0.861	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.2	173.4	-66.6	-176.9	179.7	-175.4	0	113.9	R520	R520-K522 PolarHBondContact O-N 2.92Å
523	S	66.5	Low	80.3	Confident	87 Å²	87	82.4 Å²	82.4	61%	0.608	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	-20.9	-171.4	65.7	0	0	0	0	114.9	R520 R521	R520-S523 WeakPolarHBondContact CA-OG 3.21Å; R520-S523 CarbonylContact O-C 3.59Å; R520-S523 WeakPolarHBondContact O-CA 3.4Å; R520-S523 PolarHBondContact O-N 2.96Å; R520-S523 PolarHBondContact O-OG 3.5Å; R521-S523 PolarHBondContact O-N 3.42Å
524	N	65.1	Low	80.6	Confident	76 Å²	76	89.4 Å²	89.4	41%	0.406	45%	0.449	S	S	.	.			trans	-168	137	179.8	-130.5	-57.1	0	0	0	111.4	R520 K526	R520-N524 PolarHBondContact O-N 3.07Å; N524-K526 HydrophobicContact CB-CG 4.48Å; N524-K526 PolarHBondContact O-N 3.33Å
525	P	68.9	Low	80.9	Confident	133 Å²	133	87.9 Å²	87.9	86%	0.864	44%	0.439	S	S	*	.			trans	-75.3	24.2	177.5	30.2	-35.2	0	0	0	114.8
526	K	67.9	Low	81.3	Confident	126 Å²	126	86.6 Å²	86.6	55%	0.548	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-71	155.2	-176.2	-80.3	-176.6	-178.3	178.4	0	112.9	N524	N524-K526 HydrophobicContact CB-CG 4.48Å; N524-K526 PolarHBondContact O-N 3.33Å
527	P	74.9	Confident	81.7	Confident	109 Å²	109	86.3 Å²	86.3	71%	0.708	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-55.8	151	-179.7	20.7	-33.2	0	0	0	113	R520 V529	R520-P527 PolarHBondContact NH1-O 3.39Å; P527-V529 PolarHBondContact O-N 3.16Å
528	L	80.9	Confident	82.1	Confident	111 Å²	111	87.3 Å²	87.3	58%	0.581	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-49.4	134.6	-176.8	-70.4	169.1	0	0	0	111.9	N517	N517-L528 HydrophobicContact CB-CD2 4.04Å
529	V	83.4	Confident	82.6	Confident	61 Å²	61	84.9 Å²	84.9	37%	0.37	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-88.1	125.9	171.7	-177.3	0	0	0	0	108.5	N517 R520 P527	N517-V529 PolarHBondContact ND2-O 2.91Å; N517-V529 PolarHBondContact OD1-N 3.09Å; R520-V529 VanDerWaalsContact NH1-CG2 3.26Å; P527-V529 PolarHBondContact O-N 3.16Å
530	L	89.9	Confident	83.2	Confident	80 Å²	80	81.8 Å²	81.8	42%	0.419	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-91.6	135.1	170	-52.9	177.4	0	0	0	109.3	R509 A512	R509-L530 HydrophobicContact CB-CB 4.11Å; R509-L530 WeakPolarHBondContact O-CB 3.33Å; R509-L530 WeakPolarHBondContact O-CD1 3.5Å; A512-L530 HydrophobicContact CB-CD2 3.83Å
531	S	86	Confident	84.1	Confident	7 Å²	7	84.7 Å²	84.7	5%	0.049	41%	0.412	C	S	.	.	B	Isolated β-bridge	trans	-115.4	155.9	-178.4	57	0	0	0	0	110.2	C452 Y511	C452-S531 PolarHBondContact SG-OG 3.48Å; Y511-S531 WeakPolarHBondContact CB-O 3.44Å; Y511-S531 PolarHBondContact N-O 3.16Å; Y511-S531 PolarHBondContact O-N 3.44Å; Y511-S531 PolarHBondContact O-OG 3.13Å
532	E	93.6	Very high	85	Confident	92 Å²	92	77.4 Å²	77.4	43%	0.43	39%	0.386	S	S	.	.			trans	-70.6	143.7	164.2	-70.7	164.9	-161.8	0	0	108.9	V453 R509	V453-E532 HydrophobicContact CB-CB 4.31Å; V453-E532 WeakPolarHBondContact CB-O 3.49Å; V453-E532 HydrophobicContact CG2-CB 4.22Å; V453-E532 PolarHBondContact N-O 3.09Å; R509-E532 HydrophobicContact CG-CG 3.91Å; R509-E532 IonicContact NE-OE1 2.72Å
533	A	94.4	Very high	86.1	Confident	3 Å²	3	68.1 Å²	68.1	3%	0.025	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	154	179.5	0	0	0	0	0	110.7	V450 T451 L506 Y511	V450-A533 HydrophobicContact CG1-CB 3.71Å; T451-A533 CarbonylContact O-C 3.55Å; T451-A533 VanDerWaalsContact O-CA 3.25Å; T451-A533 WeakPolarHBondContact O-CA 3.37Å; T451-A533 WeakPolarHBondContact O-CB 3.38Å; L506-A533 WeakPolarHBondContact CB-O 3.34Å; L506-A533 HydrophobicContact CD1-CB 4.1Å; L506-A533 PolarHBondContact N-O 2.99Å; Y511-A533 HydrophobicContact CD1-CB 3.63Å; Y511-A533 HydrophobicContact CE1-CB 4.47Å; Y511-A533 HydrophobicContact CG-CB 3.76Å
534	R	95.5	Very high	87.3	Confident	146 Å²	146	66 Å²	66	55%	0.551	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	139	172	-64.5	177.4	179.3	170	-1.8	108.8	V450 T451 V453 T503 E504	V450-R534 CarbonylContact C-O 3.46Å; V450-R534 WeakPolarHBondContact CA-O 3.41Å; T451-R534 PolarHBondContact N-O 3.39Å; T451-R534 PolarHBondContact O-N 2.89Å; V453-R534 HydrophobicContact CG2-CG 4.23Å; T503-R534 HydrophobicContact CG2-CB 3.79Å; T503-R534 HydrophobicContact CG2-CG 4.44Å; E504-R534 CarbonylContact O-C 3.57Å; E504-R534 VanDerWaalsContact O-CA 3.29Å; E504-R534 WeakPolarHBondContact O-CA 2.99Å
535	K	95.4	Very high	88.7	Confident	56 Å²	56	62.6 Å²	62.6	24%	0.243	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.3	176.4	-175	-178	175.2	-166.6	0	109.4	S448 Q449 V450 T503 E504 L506	S448-K535 WeakPolarHBondContact OG-CE 3.37Å; Q449-K535 CarbonylContact O-C 3.53Å; Q449-K535 WeakPolarHBondContact O-CA 3.41Å; V450-K535 HydrophobicContact CG2-CG 4.33Å; T503-K535 CarbonylContact C-O 3.52Å; T503-K535 WeakPolarHBondContact CA-O 3.4Å; E504-K535 HydrophobicContact CG-CB 4.11Å; E504-K535 WeakPolarHBondContact CG-O 3.43Å; E504-K535 PolarHBondContact N-O 3.26Å; E504-K535 PolarHBondContact O-N 3.38Å; L506-K535 HydrophobicContact CD2-CB 3.85Å; L506-K535 HydrophobicContact CD2-CD 4.15Å; L506-K535 HydrophobicContact CG-CB 4.18Å
536	Q	95.8	Very high	89.9	Confident	52 Å²	52	56.3 Å²	56.3	24%	0.243	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	135.8	172.6	-171.2	179.5	23.4	0	0	109.3	Q449 T501 M538	Q449-Q536 PolarHBondContact N-O 2.86Å; Q449-Q536 PolarHBondContact O-N 2.97Å; T501-Q536 WeakPolarHBondContact O-CG 3.43Å; T501-Q536 PolarHBondContact O-NE2 3.29Å; Q536-M538 HydrophobicContact CG-CG 4.28Å
537	L	96	Very high	91.3	Very high	30 Å²	30	50.5 Å²	50.5	16%	0.157	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	134.9	169.9	-61.3	179	0	0	0	109.3	L447 F500 T501	L447-L537 WeakPolarHBondContact O-CA 3.5Å; F500-L537 HydrophobicContact CE1-CB 4.4Å; F500-L537 HydrophobicContact CE2-CD1 4.43Å; F500-L537 HydrophobicContact CZ-CD1 4.11Å; T501-L537 VanDerWaalsContact CA-O 3.23Å; T501-L537 WeakPolarHBondContact CA-O 3.45Å; T501-L537 WeakPolarHBondContact CB-O 3.31Å; T501-L537 WeakPolarHBondContact CG2-O 3.39Å
538	M	94.9	Very high	92.4	Very high	26 Å²	26	45.3 Å²	45.3	13%	0.128	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155.8	174.6	-67.9	168.2	-82	0	0	109.8	L446 L447 Q449 Q536 Y540 C581	L446-M538 CarbonylContact C-O 3.57Å; L446-M538 WeakPolarHBondContact CA-O 3.45Å; L447-M538 HydrophobicContact CB-CB 4.45Å; L447-M538 HydrophobicContact CD2-CE 3.83Å; L447-M538 HydrophobicContact CG-CE 4.28Å; L447-M538 PolarHBondContact N-O 3.31Å; L447-M538 PolarHBondContact O-N 3.49Å; Q449-M538 HydrophobicContact CB-CE 3.91Å; Q536-M538 HydrophobicContact CG-CG 4.28Å; M538-Y540 PolarHBondContact O-N 2.78Å; M538-C581 HydrophobicContact CB-CB 4.35Å; M538-C581 HydrophobicContact SD-CB 4.36Å
539	I	94.3	Very high	93.2	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	117	173.2	-50.3	-54.1	0	0	0	109.2	L446 F465 L468 L542 M576 Y579 C580 C581	L446-I539 HydrophobicContact CD2-CD1 3.42Å; L446-I539 VanDerWaalsContact CD2-CD1 3.42Å; F465-I539 HydrophobicContact CE1-CD1 4.42Å; F465-I539 HydrophobicContact CZ-CD1 4.38Å; L468-I539 HydrophobicContact CD1-CD1 3.88Å; L468-I539 HydrophobicContact CD2-CD1 4.29Å; I539-L542 HydrophobicContact CG2-CD2 3.75Å; I539-L542 HydrophobicContact CG2-CG 3.81Å; I539-M576 HydrophobicContact CG1-CE 4.09Å; I539-Y579 PolarHBondContact N-O 3.42Å; I539-C580 WeakPolarHBondContact O-CA 3.42Å; I539-C581 PolarHBondContact O-N 2.96Å
540	Y	91.3	Very high	93.8	Very high	82 Å²	82	37.9 Å²	37.9	32%	0.322	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-45.8	174.1	-175.7	-104	0	0	0	111.5	Q445 I462 M538 M584	Q445-Y540 HydrophobicContact CB-CD1 4.1Å; Q445-Y540 WeakPolarHBondContact O-CA 2.98Å; Q445-Y540 WeakPolarHBondContact O-CB 3.45Å; Q445-Y540 PolarHBondContact O-N 2.92Å; I462-Y540 HydrophobicContact CD1-CD1 4.22Å; I462-Y540 HydrophobicContact CD1-CE1 3.9Å; I462-Y540 HydrophobicContact CD1-CE2 4.29Å; I462-Y540 HydrophobicContact CG2-CD1 4.22Å; M538-Y540 PolarHBondContact O-N 2.78Å; Y540-M584 VanDerWaalsContact O-CG 3.24Å; Y540-M584 WeakPolarHBondContact O-CG 3.29Å
541	R	90	Very high	94	Very high	139 Å²	139	37.7 Å²	37.7	53%	0.525	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	126.5	178.5	-172.8	179.1	175.9	131.4	0	110.6	G444 Q445	G444-R541 CarbonylContact C-O 3.48Å; G444-R541 WeakPolarHBondContact CA-O 3.48Å; Q445-R541 HydrophobicContact CB-CB 3.84Å; Q445-R541 HydrophobicContact CG-CB 4.09Å; Q445-R541 PolarHBondContact N-O 3.19Å; Q445-R541 PolarHBondContact O-N 3.02Å
542	L	91.3	Very high	94.2	Very high	11 Å²	11	37.4 Å²	37.4	6%	0.058	16%	0.16	C	C	.	.			trans	-84.3	134.9	-179.9	-83.9	169.8	0	0	0	112.4	I539 M576 F593 Y595	I539-L542 HydrophobicContact CG2-CD2 3.75Å; I539-L542 HydrophobicContact CG2-CG 3.81Å; L542-M576 HydrophobicContact CD1-CB 4.04Å; L542-M576 HydrophobicContact CD2-CB 3.91Å; L542-M576 HydrophobicContact CD2-CE 4.26Å; L542-M576 HydrophobicContact CD2-CG 4.04Å; L542-F593 HydrophobicContact CD1-CD1 3.72Å; L542-F593 HydrophobicContact CD1-CE1 4.28Å; L542-Y595 WeakPolarHBondContact CB-OH 3.47Å; L542-Y595 HydrophobicContact CD1-CE2 4.24Å; L542-Y595 HydrophobicContact CD2-CE2 4.21Å
543	P	92.3	Very high	94	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.013	15%	0.148	C	C	.	.			trans	-74.7	163.5	175.5	31.8	-35.7	0	0	0	111.8	F465 L546 Y595	F465-P543 HydrophobicContact CE2-CG 4.32Å; F465-P543 HydrophobicContact CZ-CG 4.38Å; P543-L546 HydrophobicContact CG-CB 4.16Å; P543-L546 HydrophobicContact CG-CD1 3.92Å; P543-Y595 PolarHBondContact O-OH 2.95Å
544	Q	91.3	Very high	93.5	Very high	44 Å²	44	37.2 Å²	37.2	21%	0.206	16%	0.155	C	C	.	.	S	Bend	trans	-71	-34.8	172.9	-63.3	-168.3	27.5	0	0	112.7	I441 R653	I441-Q544 PolarHBondContact O-N 2.82Å; Q544-R653 WeakPolarHBondContact O-CB 3.38Å; Q544-R653 PolarHBondContact O-N 3.41Å
545	V	94.1	Very high	92.8	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.024	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	110.4	172.1	177.9	0	0	0	0	107.7	L271 I441 F442 F650 Y651 T652	L271-V545 HydrophobicContact CD1-CG1 4.19Å; L271-V545 HydrophobicContact CD2-CG1 4.1Å; L271-V545 HydrophobicContact CD2-CG2 4.43Å; I441-V545 HydrophobicContact CG2-CB 3.8Å; I441-V545 HydrophobicContact CG2-CG2 3.6Å; I441-V545 PolarHBondContact O-N 2.97Å; F442-V545 HydrophobicContact CD1-CB 3.97Å; F442-V545 HydrophobicContact CD1-CG1 4.06Å; F442-V545 HydrophobicContact CE1-CB 3.9Å; F442-V545 HydrophobicContact CE1-CG1 3.73Å; V545-F650 HydrophobicContact CG1-CD1 4.23Å; V545-Y651 CarbonylContact C-O 3.51Å; V545-Y651 VanDerWaalsContact CA-O 3.26Å; V545-Y651 WeakPolarHBondContact CA-O 3.49Å; V545-T652 HydrophobicContact CG2-CG2 4.4Å
546	L	95.4	Very high	91.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	123.5	176.2	-179.1	65.6	0	0	0	109.5	F465 L468 P543 L548 L574 M576 Y595 Y651	F465-L546 HydrophobicContact CE2-CD1 4.17Å; L468-L546 HydrophobicContact CD1-CD1 3.96Å; L468-L546 HydrophobicContact CG-CD1 4.35Å; P543-L546 HydrophobicContact CG-CB 4.16Å; P543-L546 HydrophobicContact CG-CD1 3.92Å; L546-L548 HydrophobicContact CD1-CD2 4.07Å; L546-L548 HydrophobicContact CD2-CD1 4.46Å; L546-L548 HydrophobicContact CD2-CD2 3.96Å; L546-L548 HydrophobicContact CD2-CG 4.35Å; L546-L548 HydrophobicContact CG-CD2 3.81Å; L546-L548 HydrophobicContact CG-CG 4.18Å; L546-L574 HydrophobicContact CD2-CD2 4.24Å; L546-M576 HydrophobicContact CD2-CE 3.87Å; L546-M576 HydrophobicContact CD2-CG 3.85Å; L546-M576 HydrophobicContact CD2-SD 3.58Å; L546-M576 VanDerWaalsContact CD2-SD 3.58Å; L546-Y595 HydrophobicContact CB-CD1 3.97Å; L546-Y595 HydrophobicContact CB-CE1 3.71Å; L546-Y651 PolarHBondContact N-O 3.47Å; L546-Y651 PolarHBondContact O-N 3.36Å
547	R	96.3	Very high	90.8	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.015	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	118.7	176.4	-70.3	170	51.1	-156.6	-5.7	109.3	C402 F442 W466 D467 L468 F650	C402-R547 PolarHBondContact SG-NH2 3.08Å; F442-R547 HydrophobicContact CD1-CG 4.06Å; F442-R547 HydrophobicContact CE1-CG 4.42Å; W466-R547 WeakPolarHBondContact O-CD 3.48Å; W466-R547 PolarHBondContact O-NH1 3.5Å; D467-R547 WeakPolarHBondContact CA-O 3.3Å; D467-R547 HydrophobicContact CB-CB 3.98Å; D467-R547 IonicContact OD1-NH2 3.8Å; L468-R547 PolarHBondContact N-O 3.06Å; R547-F650 HydrophobicContact CG-CD1 3.77Å; R547-F650 HydrophobicContact CG-CE1 3.68Å
548	L	97.7	Very high	89.6	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114.5	175.7	-51.9	177.2	0	0	0	108.4	L468 L470 L493 L497 L546 L574 I648 L649 Y651	L468-L548 HydrophobicContact CB-CD2 3.82Å; L468-L548 HydrophobicContact CD1-CD2 3.85Å; L468-L548 HydrophobicContact CG-CD2 4.23Å; L470-L548 HydrophobicContact CD1-CB 4.25Å; L470-L548 HydrophobicContact CD1-CD2 4.41Å; L493-L548 HydrophobicContact CD1-CD1 3.97Å; L493-L548 HydrophobicContact CD2-CD1 3.87Å; L493-L548 HydrophobicContact CG-CD1 4.27Å; L497-L548 HydrophobicContact CD2-CD2 4.18Å; L546-L548 HydrophobicContact CD1-CD2 4.07Å; L546-L548 HydrophobicContact CD2-CD1 4.46Å; L546-L548 HydrophobicContact CD2-CD2 3.96Å; L546-L548 HydrophobicContact CD2-CG 4.35Å; L546-L548 HydrophobicContact CG-CD2 3.81Å; L546-L548 HydrophobicContact CG-CG 4.18Å; L548-L574 HydrophobicContact CD1-CD2 3.81Å; L548-I648 CarbonylContact O-C 3.53Å; L548-I648 WeakPolarHBondContact O-CA 3.19Å; L548-L649 HydrophobicContact CB-CB 4.25Å; L548-L649 PolarHBondContact N-O 3.35Å; L548-L649 PolarHBondContact O-N 3.42Å; L548-Y651 HydrophobicContact CD1-CD2 4.04Å; L548-Y651 HydrophobicContact CD1-CE2 4.01Å
549	H	97.4	Very high	88.2	Confident	17 Å²	17	53.5 Å²	53.5	8%	0.079	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.6	175	163.8	-128.8	0	0	0	108.8	Q398 L468 S469 L470 Y647	Q398-H549 HydrophobicContact CG-CB 4.11Å; L468-H549 PolarHBondContact O-N 3.45Å; S469-H549 CarbonylContact C-O 3.59Å; S469-H549 WeakPolarHBondContact CA-O 3.46Å; S469-H549 PolarHBondContact OG-ND1 2.97Å; L470-H549 PolarHBondContact N-O 2.76Å; H549-Y647 AromaticContact CD2-CE2 3.9Å; H549-Y647 AromaticContact CD2-CZ 3.9Å; H549-Y647 AromaticContact NE2-CE2 3.55Å; H549-Y647 AromaticContact NE2-CZ 3.55Å; H549-Y647 PolarHBondContact NE2-OH 3.19Å
550	L	96.4	Very high	87.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	112.5	178.7	-52.7	-172.5	0	0	0	108.5	L470 F472 L493 M496 R552 V568 A646 Y647 L649	L470-L550 HydrophobicContact CB-CD2 4.22Å; L470-L550 HydrophobicContact CD1-CD2 4.01Å; F472-L550 HydrophobicContact CE2-CB 4.3Å; F472-L550 HydrophobicContact CZ-CB 4.41Å; L493-L550 HydrophobicContact CD1-CD2 4.08Å; M496-L550 HydrophobicContact CE-CD2 3.94Å; M496-L550 HydrophobicContact SD-CD2 3.93Å; L550-R552 HydrophobicContact CB-CG 4.36Å; L550-R552 PolarHBondContact O-N 3.48Å; L550-V568 HydrophobicContact CD1-CB 3.95Å; L550-V568 HydrophobicContact CD1-CG1 4.04Å; L550-V568 HydrophobicContact CD1-CG2 3.97Å; L550-A646 HydrophobicContact CD1-CB 4.25Å; L550-A646 WeakPolarHBondContact CD1-O 3.4Å; L550-Y647 PolarHBondContact N-O 3.37Å; L550-L649 HydrophobicContact CD1-CD1 4.39Å
551	K	93.9	Very high	86.5	Confident	75 Å²	75	60.3 Å²	60.3	33%	0.326	28%	0.279	S	S	.	.			trans	-69.7	70.3	-178	-65.9	-169.5	-167.6	172.2	0	111.8	S469 L470 E471 F472 F553	S469-K551 WeakPolarHBondContact O-CE 3.38Å; L470-K551 WeakPolarHBondContact O-CB 3.46Å; L470-K551 PolarHBondContact O-N 2.95Å; E471-K551 HydrophobicContact CG-CD 3.71Å; E471-K551 IonicContact OE1-NZ 2.88Å; E471-K551 PolarHBondContact OE1-NZ 2.92Å; F472-K551 WeakPolarHBondContact CD2-O 3.44Å; K551-F553 VanDerWaalsContact C-N 3.32Å; K551-F553 PolarHBondContact O-N 3.45Å
552	R	90.9	Very high	86.1	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.008	27%	0.266	C	S	.	.			trans	-72.2	-26.1	-176.6	-71.3	-173.1	177.1	-76.7	-4.8	112.8	F472 L550 K563 I564 V566 A646	F472-R552 HydrophobicContact CE2-CB 4.42Å; F472-R552 HydrophobicContact CE2-CG 3.76Å; F472-R552 HydrophobicContact CZ-CG 3.88Å; L550-R552 HydrophobicContact CB-CG 4.36Å; L550-R552 PolarHBondContact O-N 3.48Å; R552-K563 HydrophobicContact CB-CG 4.35Å; R552-K563 CarbonylContact O-C 3.52Å; R552-K563 WeakPolarHBondContact O-CA 3.07Å; R552-I564 PolarHBondContact NH1-O 3.4Å; R552-I564 PolarHBondContact O-N 3.16Å; R552-V566 PolarHBondContact NH1-O 3.16Å; R552-A646 PolarHBondContact NE-O 3.39Å; R552-A646 PolarHBondContact NH2-O 3.37Å
553	F	88.8	Confident	86	Confident	39 Å²	39	57 Å²	57	17%	0.171	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.1	179.9	-59	-77.2	0	0	0	110.1	K551 E562 K563 H603 F608 Y647	K551-F553 VanDerWaalsContact C-N 3.32Å; K551-F553 PolarHBondContact O-N 3.45Å; F553-E562 WeakPolarHBondContact CA-O 3.35Å; F553-K563 HydrophobicContact CD1-CB 3.95Å; F553-K563 HydrophobicContact CD1-CG 4.14Å; F553-K563 HydrophobicContact CE1-CB 3.89Å; F553-K563 HydrophobicContact CE1-CD 3.92Å; F553-K563 HydrophobicContact CE1-CG 3.84Å; F553-K563 HydrophobicContact CZ-CD 4.27Å; F553-K563 HydrophobicContact CZ-CG 4.43Å; F553-H603 AromaticContact CZ-CE1 3.56Å; F553-H603 AromaticContact CZ-ND1 3.41Å; F553-H603 WeakPolarHBondContact CZ-ND1 3.38Å; F553-F608 HydrophobicContact CB-CD2 4.22Å; F553-F608 HydrophobicContact CD1-CB 4.2Å; F553-F608 HydrophobicContact CD1-CD2 4.09Å; F553-F608 HydrophobicContact CE1-CB 4.38Å; F553-F608 HydrophobicContact CG-CD2 4.13Å; F553-Y647 HydrophobicContact CD2-CE2 4.12Å; F553-Y647 AromaticContact CE2-CE2 3.88Å; F553-Y647 HydrophobicContact CE2-CE2 3.88Å
554	R	84.3	Confident	85.8	Confident	51 Å²	51	57.3 Å²	57.3	19%	0.192	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	159.2	176.3	66.5	174	-174.4	80.9	1.3	111.7	H477 R561 E562 I564	H477-R554 VanDerWaalsContact C-NH2 3.31Å; H477-R554 PolarHBondContact O-NH2 3.38Å; R554-R561 WeakPolarHBondContact O-CA 3.43Å; R554-E562 HydrophobicContact CG-CG 3.96Å; R554-E562 IonicContact CZ-OE1 3.18Å; R554-E562 PolarHBondContact N-O 3.19Å; R554-E562 IonicContact NE-OE1 3.74Å; R554-E562 IonicContact NH1-OE1 2.72Å; R554-E562 PolarHBondContact NH1-OE1 3.44Å; R554-E562 IonicContact NH2-OE1 2.73Å; R554-E562 PolarHBondContact NH2-OE1 3.49Å; R554-E562 IonicContact NH2-OE2 3.35Å; R554-E562 PolarHBondContact O-N 3.11Å; R554-I564 HydrophobicContact CG-CD1 4.44Å
555	W	80.8	Confident	85.6	Confident	150 Å²	150	57 Å²	57	57%	0.568	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	142.1	167.6	-67.5	91.9	0	0	0	109.9	R561	W555-R561 HydrophobicContact CD2-CG 3.85Å; W555-R561 HydrophobicContact CE3-CG 3.66Å; W555-R561 HydrophobicContact CH2-CG 4.19Å; W555-R561 HydrophobicContact CZ2-CG 4.32Å; W555-R561 HydrophobicContact CZ3-CG 3.83Å
556	S	75.5	Confident	85.3	Confident	34 Å²	34	57.8 Å²	57.8	24%	0.238	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	118.7	-178.6	-163.2	0	0	0	0	109.2	H560 E562	S556-H560 PolarHBondContact N-O 3.3Å; S556-H560 WeakPolarHBondContact O-CB 3.49Å; S556-H560 PolarHBondContact O-N 2.67Å; S556-H560 VanDerWaalsContact O-O 3.1Å; S556-E562 WeakPolarHBondContact CB-OE1 3.48Å; S556-E562 PolarHBondContact OG-OE1 3.5Å
557	G	73.3	Confident	85.2	Confident	76 Å²	76	59.7 Å²	59.7	78%	0.784	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	-153.5	-176.9	0	0	0	0	0	113.9	N559	G557-N559 VanDerWaalsContact C-N 3.34Å; G557-N559 PolarHBondContact O-N 3.06Å
558	R	71.5	Confident	85.1	Confident	248 Å²	248	59.5 Å²	59.5	94%	0.936	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-8.2	-165.5	-77.1	-172.1	-173.5	173.9	3	116.8
559	N	65.7	Low	85	Confident	145 Å²	145	61.1 Å²	61.1	78%	0.775	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	179.2	19.9	174.3	-95.3	-21.4	0	0	0	114.5	G557	G557-N559 VanDerWaalsContact C-N 3.34Å; G557-N559 PolarHBondContact O-N 3.06Å
560	H	71	Confident	85	Confident	119 Å²	119	60.5 Å²	60.5	55%	0.551	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	129.9	177.9	-171.2	60.1	0	0	0	109.7	S556	S556-H560 PolarHBondContact N-O 3.3Å; S556-H560 WeakPolarHBondContact O-CB 3.49Å; S556-H560 PolarHBondContact O-N 2.67Å; S556-H560 VanDerWaalsContact O-O 3.1Å
561	R	78.5	Confident	84.9	Confident	106 Å²	106	65.5 Å²	65.5	40%	0.4	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	131.2	167.9	-65.8	-177.1	-170.7	177.1	3.2	107.9	R554 W555 F608	R554-R561 WeakPolarHBondContact O-CA 3.43Å; W555-R561 HydrophobicContact CD2-CG 3.85Å; W555-R561 HydrophobicContact CE3-CG 3.66Å; W555-R561 HydrophobicContact CH2-CG 4.19Å; W555-R561 HydrophobicContact CZ2-CG 4.32Å; W555-R561 HydrophobicContact CZ3-CG 3.83Å; R561-F608 HydrophobicContact CB-CB 4.37Å
562	E	82.7	Confident	84.9	Confident	52 Å²	52	66.1 Å²	66.1	24%	0.243	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	154.6	178.5	69.4	-176.7	129.6	0	0	111.9	F553 R554 S556	F553-E562 WeakPolarHBondContact CA-O 3.35Å; R554-E562 HydrophobicContact CG-CG 3.96Å; R554-E562 IonicContact CZ-OE1 3.18Å; R554-E562 PolarHBondContact N-O 3.19Å; R554-E562 IonicContact NE-OE1 3.74Å; R554-E562 IonicContact NH1-OE1 2.72Å; R554-E562 PolarHBondContact NH1-OE1 3.44Å; R554-E562 IonicContact NH2-OE1 2.73Å; R554-E562 PolarHBondContact NH2-OE1 3.49Å; R554-E562 IonicContact NH2-OE2 3.35Å; R554-E562 PolarHBondContact O-N 3.11Å; S556-E562 WeakPolarHBondContact CB-OE1 3.48Å; S556-E562 PolarHBondContact OG-OE1 3.5Å
563	K	88.6	Confident	85.1	Confident	30 Å²	30	68.6 Å²	68.6	13%	0.13	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.6	175.1	-176.5	-175.7	174.1	-175.7	0	109	R552 F553 G565 H603 G605	R552-K563 HydrophobicContact CB-CG 4.35Å; R552-K563 CarbonylContact O-C 3.52Å; R552-K563 WeakPolarHBondContact O-CA 3.07Å; F553-K563 HydrophobicContact CD1-CB 3.95Å; F553-K563 HydrophobicContact CD1-CG 4.14Å; F553-K563 HydrophobicContact CE1-CB 3.89Å; F553-K563 HydrophobicContact CE1-CD 3.92Å; F553-K563 HydrophobicContact CE1-CG 3.84Å; F553-K563 HydrophobicContact CZ-CD 4.27Å; F553-K563 HydrophobicContact CZ-CG 4.43Å; K563-G565 PolarHBondContact O-N 3.37Å; K563-H603 PolarHBondContact NZ-ND1 3.24Å; K563-H603 PolarHBondContact NZ-O 2.88Å; K563-G605 VanDerWaalsContact CD-O 3.31Å; K563-G605 WeakPolarHBondContact CD-O 3.47Å; K563-G605 PolarHBondContact NZ-O 2.85Å
564	I	87.5	Confident	85.4	Confident	7 Å²	7	67.1 Å²	67.1	4%	0.036	34%	0.339	C	S	.	.			trans	-72.4	107.8	172.6	-58.9	171.8	0	0	0	108.4	F472 R552 R554 V566	F472-I564 HydrophobicContact CB-CD1 3.76Å; F472-I564 HydrophobicContact CD1-CD1 4.41Å; F472-I564 HydrophobicContact CD1-CG2 3.87Å; F472-I564 HydrophobicContact CD2-CD1 3.58Å; F472-I564 HydrophobicContact CD2-CG2 4.45Å; F472-I564 HydrophobicContact CE1-CG2 3.87Å; F472-I564 HydrophobicContact CE2-CB 4.47Å; F472-I564 HydrophobicContact CE2-CD1 4.3Å; F472-I564 HydrophobicContact CE2-CG2 4.48Å; F472-I564 HydrophobicContact CG-CD1 3.65Å; F472-I564 HydrophobicContact CG-CG2 4.16Å; F472-I564 HydrophobicContact CZ-CG2 4.2Å; R552-I564 PolarHBondContact NH1-O 3.4Å; R552-I564 PolarHBondContact O-N 3.16Å; R554-I564 HydrophobicContact CG-CD1 4.44Å; I564-V566 VanDerWaalsContact C-N 3.33Å; I564-V566 HydrophobicContact CG2-CB 3.95Å; I564-V566 HydrophobicContact CG2-CG2 3.92Å
565	G	86.7	Confident	85.9	Confident	38 Å²	38	67.9 Å²	67.9	39%	0.392	35%	0.35	S	S	.	.			trans	-87.8	8	178.6	0	0	0	0	0	114.6	K563 Q645	K563-G565 PolarHBondContact O-N 3.37Å; G565-Q645 PolarHBondContact O-NE2 3.38Å
566	V	89.4	Confident	86.4	Confident	21 Å²	21	60.8 Å²	60.8	13%	0.127	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-65.7	133	177.5	178	0	0	0	0	109.5	Y476 C491 R552 I564	Y476-V566 HydrophobicContact CD1-CG1 3.95Å; Y476-V566 HydrophobicContact CD1-CG2 4.22Å; Y476-V566 HydrophobicContact CE1-CG1 4.26Å; C491-V566 HydrophobicContact CB-CG1 4.06Å; R552-V566 PolarHBondContact NH1-O 3.16Å; I564-V566 VanDerWaalsContact C-N 3.33Å; I564-V566 HydrophobicContact CG2-CB 3.95Å; I564-V566 HydrophobicContact CG2-CG2 3.92Å
567	H	91.8	Very high	87.1	Confident	40 Å²	40	62 Å²	62	19%	0.185	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-69.7	132.7	173.8	-179.4	56.7	0	0	0	109.3	C491 C642 K643 T644	C491-H567 PolarHBondContact N-O 2.91Å; H567-C642 PolarHBondContact CE1-O 3.03Å; H567-K643 VanDerWaalsContact CE1-C 3.48Å; H567-K643 PolarHBondContact CE1-O 2.94Å; H567-T644 PolarHBondContact CE1-O 3.04Å; H567-T644 VanDerWaalsContact CE1-O 3.24Å; H567-T644 PolarHBondContact ND1-O 3.27Å
568	V	95.1	Very high	88	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	117.9	173.8	176.9	0	0	0	0	106.3	F472 C491 L493 M496 L550 F570	F472-V568 HydrophobicContact CE1-CG2 3.49Å; F472-V568 VanDerWaalsContact CE1-CG2 3.49Å; F472-V568 HydrophobicContact CZ-CG2 3.78Å; C491-V568 HydrophobicContact CB-CG2 4.21Å; C491-V568 CarbonylContact O-C 3.56Å; C491-V568 WeakPolarHBondContact O-CA 3.1Å; L493-V568 HydrophobicContact CB-CG1 4.17Å; M496-V568 HydrophobicContact SD-CG1 3.88Å; M496-V568 HydrophobicContact SD-CG2 3.89Å; L550-V568 HydrophobicContact CD1-CB 3.95Å; L550-V568 HydrophobicContact CD1-CG1 4.04Å; L550-V568 HydrophobicContact CD1-CG2 3.97Å; V568-F570 WeakPolarHBondContact O-CD1 3.31Å
569	V	96	Very high	89	Confident	33 Å²	33	52.1 Å²	52.1	20%	0.2	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.1	178.2	175.5	0	0	0	0	108.1	E490 C491 L492 L493	E490-V569 HydrophobicContact CB-CG2 3.79Å; E490-V569 HydrophobicContact CG-CG2 4.19Å; E490-V569 WeakPolarHBondContact OE2-CG2 3.32Å; C491-V569 PolarHBondContact O-N 3.43Å; L492-V569 HydrophobicContact CD2-CB 4.07Å; L492-V569 HydrophobicContact CD2-CG1 4.08Å; L493-V569 WeakPolarHBondContact CB-O 3.44Å; L493-V569 PolarHBondContact N-O 3.42Å
570	F	96.4	Very high	90.2	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.018	24%	0.243	C	C	.	.			trans	-140.2	143.5	177.3	60.1	-90.4	0	0	0	110.1	L493 V568 L597 V600 V641 C642 A646 L649	L493-F570 HydrophobicContact CB-CB 4Å; L493-F570 HydrophobicContact CD2-CB 3.76Å; L493-F570 HydrophobicContact CG-CB 4.5Å; V568-F570 WeakPolarHBondContact O-CD1 3.31Å; F570-L597 HydrophobicContact CD2-CD1 4.39Å; F570-L597 HydrophobicContact CD2-CD2 4.1Å; F570-L597 HydrophobicContact CE2-CD1 4.46Å; F570-L597 HydrophobicContact CE2-CD2 3.75Å; F570-V600 HydrophobicContact CE2-CG2 3.99Å; F570-V600 HydrophobicContact CZ-CG1 4.31Å; F570-V600 HydrophobicContact CZ-CG2 4.14Å; F570-V641 WeakPolarHBondContact CZ-O 3.48Å; F570-C642 PolarHBondContact O-SG 3.1Å; F570-C642 VanDerWaalsContact O-SG 3.37Å; F570-A646 HydrophobicContact CD1-CB 4.18Å; F570-A646 HydrophobicContact CE1-CB 3.53Å; F570-A646 HydrophobicContact CZ-CB 4.04Å; F570-L649 HydrophobicContact CB-CD1 4.3Å; F570-L649 HydrophobicContact CD1-CD1 4.26Å; F570-L649 HydrophobicContact CD1-CD2 4Å; F570-L649 HydrophobicContact CD2-CD2 3.73Å; F570-L649 HydrophobicContact CE1-CD2 4Å; F570-L649 HydrophobicContact CE2-CD2 3.69Å; F570-L649 HydrophobicContact CG-CD1 4.17Å; F570-L649 HydrophobicContact CG-CD2 3.9Å; F570-L649 HydrophobicContact CZ-CD2 3.83Å
571	D	94.5	Very high	90.9	Very high	105 Å²	105	40.3 Å²	40.3	56%	0.561	22%	0.218	S	C	*	.			trans	-96.6	163.2	-176.7	-61.8	-48.2	0	0	0	111.6	V573 Y651	D571-V573 PolarHBondContact O-N 3.42Å; D571-Y651 PolarHBondContact O-OH 2.79Å
572	Q	94.1	Very high	90.6	Very high	89 Å²	89	45.4 Å²	45.4	42%	0.416	24%	0.237	S	C	.	.	S	Bend	trans	-60.6	-31.3	172.1	-175.3	179.3	14.9	0	0	111.9	D596 L597 V638	Q572-D596 CarbonylContact O-C 3.59Å; Q572-D596 WeakPolarHBondContact O-CA 3.19Å; Q572-L597 WeakPolarHBondContact O-CB 3.35Å; Q572-L597 PolarHBondContact O-N 2.91Å; Q572-V638 HydrophobicContact CB-CG2 4.17Å; Q572-V638 HydrophobicContact CG-CG2 4.16Å
573	V	95.1	Very high	89.8	Confident	54 Å²	54	48.4 Å²	48.4	33%	0.327	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122	-177.7	-171.6	0	0	0	0	109.4	D571 Y595	D571-V573 PolarHBondContact O-N 3.42Å; V573-Y595 CarbonylContact C-O 3.49Å; V573-Y595 VanDerWaalsContact CA-O 3.31Å; V573-Y595 WeakPolarHBondContact CA-O 3.28Å
574	L	95	Very high	88.3	Confident	8 Å²	8	48.9 Å²	48.9	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128	177.5	178.6	65	0	0	0	110.2	L493 T494 L497 L546 L548 M576 Y595 Y651	L493-L574 HydrophobicContact CD2-CD1 4.33Å; L493-L574 HydrophobicContact CD2-CD2 4.2Å; T494-L574 HydrophobicContact CG2-CD1 4.45Å; L497-L574 HydrophobicContact CD1-CD1 4.01Å; L497-L574 HydrophobicContact CD1-CD2 4.2Å; L546-L574 HydrophobicContact CD2-CD2 4.24Å; L548-L574 HydrophobicContact CD1-CD2 3.81Å; L574-M576 HydrophobicContact CD2-SD 3.85Å; L574-M576 HydrophobicContact CG-SD 4.13Å; L574-Y595 PolarHBondContact N-O 2.87Å; L574-Y595 PolarHBondContact O-N 3.08Å; L574-Y651 HydrophobicContact CB-CD1 3.79Å; L574-Y651 HydrophobicContact CB-CE1 3.56Å; L574-Y651 HydrophobicContact CB-CG 4.41Å; L574-Y651 HydrophobicContact CD2-CD1 4.4Å; L574-Y651 HydrophobicContact CD2-CD2 4Å; L574-Y651 HydrophobicContact CD2-CE1 4.38Å; L574-Y651 HydrophobicContact CD2-CE2 3.96Å; L574-Y651 HydrophobicContact CD2-CG 4.22Å
575	T	93.8	Very high	87.1	Confident	67 Å²	67	51.9 Å²	51.9	41%	0.411	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.8	174.3	-57.7	0	0	0	0	110.1	E577	T575-E577 HydrophobicContact CG2-CB 3.86Å
576	M	93.3	Very high	85.7	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.29	C	S	.	.			trans	-94.3	-4.6	-178.1	-70.1	-61.2	-65.3	0	0	114.4	L468 L497 I539 L542 L546 L574 Y579 C580 F593 Y595	L468-M576 HydrophobicContact CD1-CE 4.5Å; L497-M576 HydrophobicContact CD1-SD 4.06Å; L497-M576 HydrophobicContact CD2-CE 4.31Å; I539-M576 HydrophobicContact CG1-CE 4.09Å; L542-M576 HydrophobicContact CD1-CB 4.04Å; L542-M576 HydrophobicContact CD2-CB 3.91Å; L542-M576 HydrophobicContact CD2-CE 4.26Å; L542-M576 HydrophobicContact CD2-CG 4.04Å; L546-M576 HydrophobicContact CD2-CE 3.87Å; L546-M576 HydrophobicContact CD2-CG 3.85Å; L546-M576 HydrophobicContact CD2-SD 3.58Å; L546-M576 VanDerWaalsContact CD2-SD 3.58Å; L574-M576 HydrophobicContact CD2-SD 3.85Å; L574-M576 HydrophobicContact CG-SD 4.13Å; M576-Y579 HydrophobicContact CE-CD2 4.05Å; M576-Y579 PolarHBondContact O-N 2.82Å; M576-Y579 VanDerWaalsContact O-N 3.13Å; M576-Y579 HydrophobicContact SD-CD2 3.99Å; M576-Y579 HydrophobicContact SD-CE2 4.44Å; M576-C580 PolarHBondContact O-SG 3.3Å; M576-F593 PolarHBondContact N-O 2.93Å; M576-Y595 HydrophobicContact CG-CD2 4.03Å; M576-Y595 HydrophobicContact CG-CE2 4.1Å
577	E	89.9	Confident	84.1	Confident	59 Å²	59	58.1 Å²	58.1	28%	0.276	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-48	-46.7	-177.7	-170.4	-177.3	-174.3	0	0	113.8	T575 Y579 C580 L585 F593	T575-E577 HydrophobicContact CG2-CB 3.86Å; E577-Y579 PolarHBondContact O-N 3.34Å; E577-Y579 VanDerWaalsContact O-N 3.16Å; E577-C580 PolarHBondContact O-N 3.28Å; E577-L585 HydrophobicContact CG-CD2 3.59Å; E577-F593 HydrophobicContact CB-CB 3.99Å; E577-F593 HydrophobicContact CB-CD1 4.43Å; E577-F593 HydrophobicContact CB-CG 4.07Å; E577-F593 HydrophobicContact CG-CD2 4.5Å; E577-F593 HydrophobicContact CG-CG 4.47Å
578	P	91.5	Very high	82.6	Confident	96 Å²	96	59.8 Å²	59.8	62%	0.623	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-67.5	-19.5	-175.3	-20.5	34.5	0	0	0	114.7
579	Y	92.9	Very high	81.1	Confident	21 Å²	21	65.4 Å²	65.4	8%	0.082	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-99	-3.2	-174.3	-45.3	-65.9	0	0	0	112.2	T494 L497 A498 T501 I539 M576 E577	T494-Y579 WeakPolarHBondContact CA-OH 3.2Å; T494-Y579 VanDerWaalsContact CB-OH 3.29Å; T494-Y579 WeakPolarHBondContact CB-OH 3.27Å; T494-Y579 PolarHBondContact O-OH 3.14Å; T494-Y579 VanDerWaalsContact O-OH 3.12Å; L497-Y579 HydrophobicContact CB-CD1 3.95Å; L497-Y579 HydrophobicContact CB-CD2 4.21Å; L497-Y579 HydrophobicContact CB-CE1 3.58Å; L497-Y579 HydrophobicContact CB-CE2 3.88Å; L497-Y579 HydrophobicContact CB-CG 4.26Å; L497-Y579 HydrophobicContact CD1-CD2 4.28Å; L497-Y579 HydrophobicContact CD1-CE2 3.79Å; L497-Y579 HydrophobicContact CG-CE2 4.44Å; A498-Y579 HydrophobicContact CB-CE1 4.19Å; T501-Y579 HydrophobicContact CG2-CD1 4.33Å; I539-Y579 PolarHBondContact N-O 3.42Å; M576-Y579 HydrophobicContact CE-CD2 4.05Å; M576-Y579 PolarHBondContact O-N 2.82Å; M576-Y579 VanDerWaalsContact O-N 3.13Å; M576-Y579 HydrophobicContact SD-CD2 3.99Å; M576-Y579 HydrophobicContact SD-CE2 4.44Å; E577-Y579 PolarHBondContact O-N 3.34Å; E577-Y579 VanDerWaalsContact O-N 3.16Å
580	C	90.3	Very high	79.4	Confident	12 Å²	12	71.4 Å²	71.4	8%	0.081	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-89.2	152.2	-177.9	-65.1	0	0	0	0	112.2	I539 M576 E577 F593	I539-C580 WeakPolarHBondContact O-CA 3.42Å; M576-C580 PolarHBondContact O-SG 3.3Å; E577-C580 PolarHBondContact O-N 3.28Å; C580-F593 HydrophobicContact CB-CE1 4.13Å
581	C	85.9	Confident	77.8	Confident	4 Å²	4	76.3 Å²	76.3	3%	0.027	40%	0.399	C	S	.	.			trans	-68.8	150.8	174.2	67.2	0	0	0	0	111.8	L447 M538 I539 D583 M584	L447-C581 HydrophobicContact CD2-CB 3.95Å; M538-C581 HydrophobicContact CB-CB 4.35Å; M538-C581 HydrophobicContact SD-CB 4.36Å; I539-C581 PolarHBondContact O-N 2.96Å; C581-D583 PolarHBondContact O-N 3.38Å; C581-D583 VanDerWaalsContact O-N 3.16Å; C581-M584 PolarHBondContact O-N 2.87Å; C581-M584 VanDerWaalsContact O-N 3.13Å
582	R	72.4	Confident	76.9	Confident	214 Å²	214	72.5 Å²	72.5	81%	0.808	38%	0.379	S	S	*	.	H	α-helix	trans	-62	-24.7	-175.3	-161	178.9	-91.1	-168.3	-6.3	113.9	M584 L585	R582-M584 PolarHBondContact O-N 2.93Å; R582-L585 PolarHBondContact O-N 2.73Å
583	D	64.9	Low	76.6	Confident	114 Å²	114	68.4 Å²	68.4	61%	0.61	36%	0.36	S	S	*	.	H	α-helix	trans	-67	-23.2	178.2	-59.6	-29.3	0	0	0	113.1	C581 S586	C581-D583 PolarHBondContact O-N 3.38Å; C581-D583 VanDerWaalsContact O-N 3.16Å; D583-S586 PolarHBondContact O-OG 2.8Å; D583-S586 VanDerWaalsContact O-OG 3.13Å
584	M	58.7	Low	76.4	Confident	40 Å²	40	66.4 Å²	66.4	20%	0.197	35%	0.349	C	S	.	.	H	α-helix	trans	-83.4	-26.5	175.6	-73.2	-75.1	-77.4	0	0	112.9	Y540 C581 R582 S586 S587 L588	Y540-M584 VanDerWaalsContact O-CG 3.24Å; Y540-M584 WeakPolarHBondContact O-CG 3.29Å; C581-M584 PolarHBondContact O-N 2.87Å; C581-M584 VanDerWaalsContact O-N 3.13Å; R582-M584 PolarHBondContact O-N 2.93Å; M584-S586 PolarHBondContact O-N 3.17Å; M584-S587 PolarHBondContact O-N 3.35Å; M584-S587 PolarHBondContact O-OG 2.96Å; M584-L588 HydrophobicContact CE-CD1 3.53Å; M584-L588 HydrophobicContact SD-CD1 4.03Å
585	L	62.3	Low	76.4	Confident	71 Å²	71	66 Å²	66	37%	0.372	35%	0.347	S	S	.	.	H	α-helix	trans	-72.5	-16.7	-176.2	-78.4	155.5	0	0	0	113.1	E577 R582	E577-L585 HydrophobicContact CG-CD2 3.59Å; R582-L585 PolarHBondContact O-N 2.73Å
586	S	56.8	Low	76.5	Confident	104 Å²	104	65.2 Å²	65.2	73%	0.727	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-7.6	179.7	54.4	0	0	0	0	114.4	D583 M584	D583-S586 PolarHBondContact O-OG 2.8Å; D583-S586 VanDerWaalsContact O-OG 3.13Å; M584-S586 PolarHBondContact O-N 3.17Å
587	S	55.4	Low	76.7	Confident	85 Å²	85	65.4 Å²	65.4	59%	0.594	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.6	-4.2	-167.8	58.2	0	0	0	0	116.2	M584	M584-S587 PolarHBondContact O-N 3.35Å; M584-S587 PolarHBondContact O-OG 2.96Å
588	L	60.1	Low	77	Confident	75 Å²	75	63.6 Å²	63.6	39%	0.393	34%	0.335	S	S	.	.	S	Bend	trans	-136.7	141.8	-170.4	-78.5	149.5	0	0	0	112.9	M584 T592 F593	M584-L588 HydrophobicContact CE-CD1 3.53Å; M584-L588 HydrophobicContact SD-CD1 4.03Å; L588-T592 HydrophobicContact CD2-CG2 3.87Å; L588-F593 HydrophobicContact CB-CE2 4.15Å; L588-F593 HydrophobicContact CB-CZ 4.26Å
589	D	63.5	Low	77.3	Confident	119 Å²	119	59 Å²	59	64%	0.636	31%	0.306	S	S	*	.			trans	-63.1	147.5	173.5	-71.7	-37	0	0	0	111.7	E591 T592	D589-E591 PolarHBondContact O-N 2.72Å; D589-E591 VanDerWaalsContact O-N 3.11Å; D589-T592 HydrophobicContact CB-CG2 4.47Å; D589-T592 WeakPolarHBondContact O-CB 3.48Å; D589-T592 WeakPolarHBondContact O-CG2 3.36Å; D589-T592 PolarHBondContact O-N 2.84Å; D589-T592 PolarHBondContact O-OG1 2.85Å
590	K	61.1	Low	77.6	Confident	159 Å²	159	58 Å²	58	69%	0.691	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-53.9	-32.2	178.7	-70.9	-175.4	175.2	-176	0	113.8	T592 F593	K590-T592 PolarHBondContact O-N 2.9Å; K590-F593 PolarHBondContact O-N 2.84Å
591	E	62.3	Low	78	Confident	106 Å²	106	57.5 Å²	57.5	50%	0.495	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-60.3	-23.3	176.3	-73.3	-70.8	142.4	0	0	113.4	D589 F593 A594 V656	D589-E591 PolarHBondContact O-N 2.72Å; D589-E591 VanDerWaalsContact O-N 3.11Å; E591-F593 VanDerWaalsContact C-N 3.25Å; E591-F593 PolarHBondContact O-N 3.39Å; E591-A594 PolarHBondContact O-N 3.46Å; E591-V656 HydrophobicContact CB-CG2 4.24Å
592	T	75.1	Confident	78.4	Confident	26 Å²	26	58.2 Å²	58.2	16%	0.16	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-75.6	-14.3	-178.5	66.6	0	0	0	0	113.8	L588 D589 K590 R653	L588-T592 HydrophobicContact CD2-CG2 3.87Å; D589-T592 HydrophobicContact CB-CG2 4.47Å; D589-T592 WeakPolarHBondContact O-CB 3.48Å; D589-T592 WeakPolarHBondContact O-CG2 3.36Å; D589-T592 PolarHBondContact O-N 2.84Å; D589-T592 PolarHBondContact O-OG1 2.85Å; K590-T592 PolarHBondContact O-N 2.9Å; T592-R653 WeakPolarHBondContact O-CD 3.46Å
593	F	87.3	Confident	79.4	Confident	3 Å²	3	48.4 Å²	48.4	1%	0.013	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-97.6	-4.6	179.5	-59.5	-84.2	0	0	0	113.2	L542 M576 E577 C580 L588 K590 E591	L542-F593 HydrophobicContact CD1-CD1 3.72Å; L542-F593 HydrophobicContact CD1-CE1 4.28Å; M576-F593 PolarHBondContact N-O 2.93Å; E577-F593 HydrophobicContact CB-CB 3.99Å; E577-F593 HydrophobicContact CB-CD1 4.43Å; E577-F593 HydrophobicContact CB-CG 4.07Å; E577-F593 HydrophobicContact CG-CD2 4.5Å; E577-F593 HydrophobicContact CG-CG 4.47Å; C580-F593 HydrophobicContact CB-CE1 4.13Å; L588-F593 HydrophobicContact CB-CE2 4.15Å; L588-F593 HydrophobicContact CB-CZ 4.26Å; K590-F593 PolarHBondContact O-N 2.84Å; E591-F593 VanDerWaalsContact C-N 3.25Å; E591-F593 PolarHBondContact O-N 3.39Å
594	A	92.1	Very high	80.6	Confident	11 Å²	11	46.4 Å²	46.4	9%	0.091	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	136.1	-179.7	0	0	0	0	0	111.7	E591 R654	E591-A594 PolarHBondContact O-N 3.46Å; A594-R654 HydrophobicContact CB-CG 4.45Å; A594-R654 PolarHBondContact O-N 3.17Å
595	Y	95.1	Very high	81.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	142.5	178.6	-75.8	-107.6	0	0	0	111.5	L542 P543 L546 V573 L574 M576 Y651 T652 R653	L542-Y595 WeakPolarHBondContact CB-OH 3.47Å; L542-Y595 HydrophobicContact CD1-CE2 4.24Å; L542-Y595 HydrophobicContact CD2-CE2 4.21Å; P543-Y595 PolarHBondContact O-OH 2.95Å; L546-Y595 HydrophobicContact CB-CD1 3.97Å; L546-Y595 HydrophobicContact CB-CE1 3.71Å; V573-Y595 CarbonylContact C-O 3.49Å; V573-Y595 VanDerWaalsContact CA-O 3.31Å; V573-Y595 WeakPolarHBondContact CA-O 3.28Å; L574-Y595 PolarHBondContact N-O 2.87Å; L574-Y595 PolarHBondContact O-N 3.08Å; M576-Y595 HydrophobicContact CG-CD2 4.03Å; M576-Y595 HydrophobicContact CG-CE2 4.1Å; Y595-Y651 WeakPolarHBondContact CD1-O 3.4Å; Y595-T652 CarbonylContact C-O 3.56Å; Y595-T652 WeakPolarHBondContact CA-O 3.37Å; Y595-T652 VanDerWaalsContact CD1-C 3.42Å; Y595-R653 HydrophobicContact CD1-CB 4Å; Y595-R653 HydrophobicContact CE1-CB 3.53Å; Y595-R653 HydrophobicContact CE1-CG 4.18Å; Y595-R653 HydrophobicContact CE2-CB 4.24Å; Y595-R653 HydrophobicContact CE2-CG 3.97Å
596	D	95.6	Very high	82.3	Confident	50 Å²	50	52.8 Å²	52.8	27%	0.267	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133.7	172.4	-65	-50.4	0	0	0	111.1	Q572 S598 Y651 T652 R654	Q572-D596 CarbonylContact O-C 3.59Å; Q572-D596 WeakPolarHBondContact O-CA 3.19Å; D596-S598 PolarHBondContact O-N 2.99Å; D596-S598 PolarHBondContact O-OG 3.31Å; D596-Y651 CarbonylContact O-C 3.54Å; D596-Y651 WeakPolarHBondContact O-CA 3.31Å; D596-T652 PolarHBondContact N-O 2.79Å; D596-T652 PolarHBondContact O-N 3.05Å; D596-R654 VanDerWaalsContact CG-NE 3.26Å; D596-R654 IonicContact OD1-CZ 3.22Å; D596-R654 VanDerWaalsContact OD1-CZ 3.22Å; D596-R654 IonicContact OD1-NE 2.97Å; D596-R654 PolarHBondContact OD1-NE 2.82Å; D596-R654 IonicContact OD1-NH2 3.97Å; D596-R654 PolarHBondContact OD1-NH2 3Å; D596-R654 WeakPolarHBondContact OD2-CG 3.21Å; D596-R654 IonicContact OD2-CZ 3.89Å; D596-R654 IonicContact OD2-NE 2.71Å; D596-R654 PolarHBondContact OD2-NE 2.91Å; D596-R654 IonicContact OD2-NH2 3.71Å
597	L	97.3	Very high	82.8	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	123.3	174.3	-171.9	73.6	0	0	0	109.3	F570 Q572 V600 W625 V641 L649 Y651	F570-L597 HydrophobicContact CD2-CD1 4.39Å; F570-L597 HydrophobicContact CD2-CD2 4.1Å; F570-L597 HydrophobicContact CE2-CD1 4.46Å; F570-L597 HydrophobicContact CE2-CD2 3.75Å; Q572-L597 WeakPolarHBondContact O-CB 3.35Å; Q572-L597 PolarHBondContact O-N 2.91Å; L597-V600 HydrophobicContact CD1-CG2 4.03Å; L597-V600 HydrophobicContact CD2-CG2 3.86Å; L597-V600 HydrophobicContact CG-CG2 4.25Å; L597-W625 HydrophobicContact CB-CH2 4.39Å; L597-W625 HydrophobicContact CB-CZ2 4.38Å; L597-W625 HydrophobicContact CD2-CH2 3.82Å; L597-W625 HydrophobicContact CD2-CZ2 4.05Å; L597-W625 HydrophobicContact CG-CH2 3.8Å; L597-W625 HydrophobicContact CG-CZ2 4.2Å; L597-W625 WeakPolarHBondContact O-CZ2 3.29Å; L597-V641 HydrophobicContact CD2-CG1 3.89Å; L597-L649 HydrophobicContact CD1-CD2 3.98Å; L597-Y651 HydrophobicContact CB-CD1 4.16Å; L597-Y651 HydrophobicContact CB-CE1 3.77Å; L597-Y651 HydrophobicContact CD1-CD1 4.24Å; L597-Y651 HydrophobicContact CD1-CD2 4.28Å; L597-Y651 HydrophobicContact CD1-CE1 3.74Å; L597-Y651 HydrophobicContact CD1-CE2 3.8Å; L597-Y651 HydrophobicContact CD1-CG 4.48Å; L597-Y651 HydrophobicContact CG-CE1 4.37Å
598	S	96.7	Very high	83.4	Confident	20 Å²	20	50 Å²	50	14%	0.14	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-33.9	-176.3	-55.1	0	0	0	0	112.3	D596 Y618 F650 T652	D596-S598 PolarHBondContact O-N 2.99Å; D596-S598 PolarHBondContact O-OG 3.31Å; S598-Y618 WeakPolarHBondContact O-CB 3.35Å; S598-Y618 PolarHBondContact O-N 2.61Å; S598-F650 PolarHBondContact N-O 2.96Å; S598-T652 WeakPolarHBondContact OG-CB 3.49Å; S598-T652 PolarHBondContact OG-N 2.96Å; S598-T652 PolarHBondContact OG-OG1 3.45Å
599	A	98	Very high	83.8	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.008	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	156.8	175.3	0	0	0	0	0	113.3	V267 Y616 F650	V267-A599 HydrophobicContact CB-CB 4.3Å; V267-A599 HydrophobicContact CG1-CB 3.73Å; V267-A599 HydrophobicContact CG2-CB 3.85Å; A599-Y616 CarbonylContact C-O 2.88Å; A599-Y616 WeakPolarHBondContact CA-O 3.49Å; A599-Y616 WeakPolarHBondContact CB-O 3.42Å; A599-F650 HydrophobicContact CB-CB 4.06Å; A599-F650 HydrophobicContact CB-CD2 4.17Å; A599-F650 HydrophobicContact CB-CG 4.35Å; A599-F650 PolarHBondContact N-O 3.25Å; A599-F650 PolarHBondContact O-N 2.77Å
600	V	98.4	Very high	84.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	124.1	175.1	-173.8	0	0	0	0	109.3	F570 L597 A615 Y616 V641 A646 I648 L649	F570-V600 HydrophobicContact CE2-CG2 3.99Å; F570-V600 HydrophobicContact CZ-CG1 4.31Å; F570-V600 HydrophobicContact CZ-CG2 4.14Å; L597-V600 HydrophobicContact CD1-CG2 4.03Å; L597-V600 HydrophobicContact CD2-CG2 3.86Å; L597-V600 HydrophobicContact CG-CG2 4.25Å; V600-A615 CarbonylContact O-C 3.51Å; V600-A615 WeakPolarHBondContact O-CA 3.38Å; V600-Y616 PolarHBondContact N-O 2.82Å; V600-Y616 PolarHBondContact O-N 3.47Å; V600-V641 HydrophobicContact CB-CG1 4.43Å; V600-V641 HydrophobicContact CG2-CG1 3.62Å; V600-A646 HydrophobicContact CG1-CB 3.57Å; V600-I648 CarbonylContact C-O 3.58Å; V600-I648 WeakPolarHBondContact CA-O 3.45Å; V600-L649 HydrophobicContact CB-CD2 4.4Å; V600-L649 HydrophobicContact CG1-CD2 3.97Å; V600-L649 HydrophobicContact CG2-CD2 3.81Å
601	V	98.2	Very high	85.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.6	168	179.8	0	0	0	0	107.9	I264 V267 A397 Y613 Y647 I648 F650	I264-V601 HydrophobicContact CD1-CG2 4.09Å; V267-V601 HydrophobicContact CG2-CG2 3.77Å; A397-V601 HydrophobicContact CB-CG1 4.46Å; V601-Y613 HydrophobicContact CG1-CD1 3.96Å; V601-Y647 WeakPolarHBondContact O-CA 3.18Å; V601-Y647 WeakPolarHBondContact O-CB 3.47Å; V601-Y647 PolarHBondContact O-N 3.37Å; V601-I648 HydrophobicContact CB-CB 4.03Å; V601-I648 HydrophobicContact CB-CD1 4.44Å; V601-I648 HydrophobicContact CB-CG1 4.33Å; V601-I648 HydrophobicContact CG2-CB 4.29Å; V601-I648 PolarHBondContact N-O 3.3Å; V601-I648 PolarHBondContact O-N 2.83Å; V601-F650 HydrophobicContact CG2-CE2 3.97Å
602	M	95.6	Very high	87.3	Confident	20 Å²	20	37.9 Å²	37.9	10%	0.099	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139.3	176.1	-170.9	-158.8	-76.5	0	0	109.7	H604 Y613 T614 Y616 T644 Q645	M602-H604 PolarHBondContact SD-CE1 3.38Å; M602-H604 PolarHBondContact SD-NE2 3.06Å; M602-H604 VanDerWaalsContact SD-NE2 3.36Å; M602-Y613 WeakPolarHBondContact O-CA 3.48Å; M602-T614 PolarHBondContact N-O 2.95Å; M602-T614 PolarHBondContact O-N 3.33Å; M602-Y616 HydrophobicContact CE-CE2 3.95Å; M602-T644 HydrophobicContact CE-CG2 3.47Å; M602-T644 VanDerWaalsContact CE-CG2 3.47Å; M602-Q645 WeakPolarHBondContact CG-O 3.29Å
603	H	93.6	Very high	88.3	Confident	8 Å²	8	37.4 Å²	37.4	4%	0.037	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	115.8	168.2	179.1	-115.3	0	0	0	110.2	F553 K563 G611 Y613 Y647	F553-H603 AromaticContact CZ-CE1 3.56Å; F553-H603 AromaticContact CZ-ND1 3.41Å; F553-H603 WeakPolarHBondContact CZ-ND1 3.38Å; K563-H603 PolarHBondContact NZ-ND1 3.24Å; K563-H603 PolarHBondContact NZ-O 2.88Å; H603-G611 WeakPolarHBondContact NE2-CA 3.33Å; H603-Y613 HydrophobicContact CB-CD1 3.99Å; H603-Y613 HydrophobicContact CB-CE1 3.65Å; H603-Y613 AromaticContact CD2-CE1 3.62Å; H603-Y613 AromaticContact CD2-CE2 3.7Å; H603-Y613 AromaticContact CD2-CZ 3.44Å; H603-Y613 VanDerWaalsContact CD2-CZ 3.44Å; H603-Y613 AromaticContact CG-CE1 3.9Å; H603-Y647 HydrophobicContact CB-CG 4.3Å
604	H	90	Very high	88.8	Confident	72 Å²	72	37.3 Å²	37.3	33%	0.333	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	140.8	169.9	-57.9	-89.9	0	0	0	109.8	M602 G611 H612 T614	M602-H604 PolarHBondContact SD-CE1 3.38Å; M602-H604 PolarHBondContact SD-NE2 3.06Å; M602-H604 VanDerWaalsContact SD-NE2 3.36Å; H604-G611 CarbonylContact O-C 3.54Å; H604-G611 WeakPolarHBondContact O-CA 3.44Å; H604-H612 HydrophobicContact CB-CB 4.21Å; H604-H612 WeakPolarHBondContact CB-O 3.29Å; H604-H612 PolarHBondContact CD2-O 2.98Å; H604-H612 VanDerWaalsContact CD2-O 3.28Å; H604-H612 PolarHBondContact N-O 3.47Å; H604-H612 PolarHBondContact O-N 3.26Å; H604-T614 WeakPolarHBondContact NE2-CG2 3.35Å; H604-T614 PolarHBondContact NE2-OG1 3.49Å
605	G	84.5	Confident	89.1	Confident	39 Å²	39	36.8 Å²	36.8	40%	0.402	22%	0.219	S	C	.	.	S	Bend	trans	125.3	157	177.4	0	0	0	0	0	112.9	K563	K563-G605 VanDerWaalsContact CD-O 3.31Å; K563-G605 WeakPolarHBondContact CD-O 3.47Å; K563-G605 PolarHBondContact NZ-O 2.85Å
606	K	71.3	Confident	89.3	Confident	206 Å²	206	37.4 Å²	37.4	90%	0.896	22%	0.221	S	C	*	.	S	Bend	trans	-94.4	-16.8	-176	-65.9	-175.8	178.5	-178.8	0	113.3
607	G	67.5	Low	89.4	Confident	26 Å²	26	35 Å²	35	27%	0.268	21%	0.208	S	C	.	.	S	Bend	trans	-121.4	170.1	-170.9	0	0	0	0	0	113.6
608	F	68.3	Low	89.3	Confident	105 Å²	105	38.8 Å²	38.8	46%	0.461	22%	0.223	S	C	.	.	S	Bend	trans	-77.6	-36.3	174.5	173.9	-85.5	0	0	0	112.7	F553 R561	F553-F608 HydrophobicContact CB-CD2 4.22Å; F553-F608 HydrophobicContact CD1-CB 4.2Å; F553-F608 HydrophobicContact CD1-CD2 4.09Å; F553-F608 HydrophobicContact CE1-CB 4.38Å; F553-F608 HydrophobicContact CG-CD2 4.13Å; R561-F608 HydrophobicContact CB-CB 4.37Å
609	G	68.3	Low	89.2	Confident	64 Å²	64	37.9 Å²	37.9	66%	0.66	22%	0.216	S	C	*	.	S	Bend	trans	-97.4	7.5	-175.9	0	0	0	0	0	114.8	Q394	Q394-G609 PolarHBondContact OE1-O 3.34Å
610	S	78.8	Confident	88.8	Confident	73 Å²	73	40.4 Å²	40.4	51%	0.51	23%	0.232	S	C	.	.	S	Bend	trans	-150.1	126.4	175	67.5	0	0	0	0	111.7
611	G	86.9	Confident	88.3	Confident	19 Å²	19	45.6 Å²	45.6	20%	0.196	26%	0.256	C	S	.	.			trans	-178.3	-171.2	170.8	0	0	0	0	0	113.9	Q394 H603 H604	Q394-G611 PolarHBondContact NE2-O 3.04Å; H603-G611 WeakPolarHBondContact NE2-CA 3.33Å; H604-G611 CarbonylContact O-C 3.54Å; H604-G611 WeakPolarHBondContact O-CA 3.44Å
612	H	94.3	Very high	87.6	Confident	48 Å²	48	47.4 Å²	47.4	22%	0.222	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	132.9	-178.1	-177.8	56.3	0	0	0	109.9	C259 H604 N629 D630	C259-H612 WeakPolarHBondContact CB-CE1 3.35Å; C259-H612 VanDerWaalsContact CB-ND1 3.31Å; C259-H612 WeakPolarHBondContact CB-ND1 3.22Å; C259-H612 PolarHBondContact SG-ND1 3.2Å; H604-H612 HydrophobicContact CB-CB 4.21Å; H604-H612 WeakPolarHBondContact CB-O 3.29Å; H604-H612 PolarHBondContact CD2-O 2.98Å; H604-H612 VanDerWaalsContact CD2-O 3.28Å; H604-H612 PolarHBondContact N-O 3.47Å; H604-H612 PolarHBondContact O-N 3.26Å; H612-N629 PolarHBondContact NE2-OD1 2.91Å; H612-D630 IonicContact CE1-OD2 3.03Å; H612-D630 PolarHBondContact CE1-OD2 3.01Å; H612-D630 VanDerWaalsContact CE1-OD2 3.24Å
613	Y	97.1	Very high	87.4	Confident	15 Å²	15	48.7 Å²	48.7	6%	0.059	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.5	178.9	-70.6	-85.6	0	0	0	110.8	Q395 D396 A397 V601 M602 H603 Y647	Q395-Y613 WeakPolarHBondContact O-CE2 3.49Å; D396-Y613 PolarHBondContact OD2-OH 3.12Å; A397-Y613 HydrophobicContact CB-CD1 3.71Å; A397-Y613 HydrophobicContact CB-CD2 4.43Å; A397-Y613 HydrophobicContact CB-CE1 3.57Å; A397-Y613 HydrophobicContact CB-CE2 4.32Å; A397-Y613 HydrophobicContact CB-CG 4.14Å; V601-Y613 HydrophobicContact CG1-CD1 3.96Å; M602-Y613 WeakPolarHBondContact O-CA 3.48Å; H603-Y613 HydrophobicContact CB-CD1 3.99Å; H603-Y613 HydrophobicContact CB-CE1 3.65Å; H603-Y613 AromaticContact CD2-CE1 3.62Å; H603-Y613 AromaticContact CD2-CE2 3.7Å; H603-Y613 AromaticContact CD2-CZ 3.44Å; H603-Y613 VanDerWaalsContact CD2-CZ 3.44Å; H603-Y613 AromaticContact CG-CE1 3.9Å; Y613-Y647 HydrophobicContact CD1-CD1 4.4Å; Y613-Y647 AromaticContact CE1-CD1 3.64Å; Y613-Y647 HydrophobicContact CE1-CD1 3.64Å; Y613-Y647 AromaticContact CE1-CE1 3.81Å; Y613-Y647 HydrophobicContact CE1-CE1 3.81Å; Y613-Y647 HydrophobicContact CE1-CG 4.48Å
614	T	97.7	Very high	87.4	Confident	1 Å²	1	51 Å²	51	1%	0.006	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	159.6	169.4	65.1	0	0	0	0	109.6	M602 H604 H627 N629	M602-T614 PolarHBondContact N-O 2.95Å; M602-T614 PolarHBondContact O-N 3.33Å; H604-T614 WeakPolarHBondContact NE2-CG2 3.35Å; H604-T614 PolarHBondContact NE2-OG1 3.49Å; T614-H627 WeakPolarHBondContact CB-NE2 3.48Å; T614-H627 PolarHBondContact OG1-NE2 3.49Å; T614-N629 HydrophobicContact CG2-CB 3.93Å
615	A	98.3	Very high	87.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143	178.4	0	0	0	0	0	110.7	Q266 V267 V600 H627 C628	Q266-A615 HydrophobicContact CB-CB 4.49Å; V267-A615 HydrophobicContact CG2-CB 3.89Å; V600-A615 CarbonylContact O-C 3.51Å; V600-A615 WeakPolarHBondContact O-CA 3.38Å; A615-H627 CarbonylContact O-C 3.48Å; A615-C628 HydrophobicContact CB-CB 4.43Å; A615-C628 PolarHBondContact N-O 2.99Å; A615-C628 PolarHBondContact O-N 3.49Å
616	Y	98.3	Very high	88.3	Confident	14 Å²	14	46.2 Å²	46.2	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.2	164.7	-65.8	-99.9	0	0	0	106.7	A599 V600 M602 V626 H627 V641 T644	A599-Y616 CarbonylContact C-O 2.88Å; A599-Y616 WeakPolarHBondContact CA-O 3.49Å; A599-Y616 WeakPolarHBondContact CB-O 3.42Å; V600-Y616 PolarHBondContact N-O 2.82Å; V600-Y616 PolarHBondContact O-N 3.47Å; M602-Y616 HydrophobicContact CE-CE2 3.95Å; Y616-V626 CarbonylContact C-O 3.55Å; Y616-V626 WeakPolarHBondContact CA-O 3.43Å; Y616-H627 HydrophobicContact CD1-CB 3.83Å; Y616-H627 AromaticContact CD2-CD2 3.96Å; Y616-H627 HydrophobicContact CE1-CB 3.64Å; Y616-H627 AromaticContact CE1-CD2 3.63Å; Y616-H627 AromaticContact CE1-CG 3.61Å; Y616-H627 AromaticContact CE2-CD2 3.49Å; Y616-H627 VanDerWaalsContact CE2-CD2 3.49Å; Y616-H627 WeakPolarHBondContact CE2-CD2 3.31Å; Y616-H627 AromaticContact CE2-NE2 3.8Å; Y616-H627 AromaticContact CZ-CD2 3.32Å; Y616-H627 AromaticContact CZ-CG 3.69Å; Y616-H627 AromaticContact CZ-NE2 3.68Å; Y616-V641 HydrophobicContact CD1-CG2 3.73Å; Y616-V641 HydrophobicContact CG-CG2 4.18Å; Y616-T644 HydrophobicContact CD2-CG2 4.03Å; Y616-T644 HydrophobicContact CE1-CG2 4.17Å; Y616-T644 HydrophobicContact CE2-CG2 3.51Å
617	C	97.8	Very high	89.6	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135	-176.4	-62.9	0	0	0	0	110.2	H270 W625 V626	H270-C617 HydrophobicContact CB-CB 3.78Å; H270-C617 VanDerWaalsContact CG-CB 3.45Å; C617-W625 VanDerWaalsContact C-CE3 3.49Å; C617-V626 PolarHBondContact N-O 2.94Å; C617-V626 PolarHBondContact O-N 3.4Å
618	Y	96.9	Very high	91	Very high	83 Å²	83	36.5 Å²	36.5	33%	0.325	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	120.7	170	-174.3	-109.2	0	0	0	109.8	S598 T620 W625	S598-Y618 WeakPolarHBondContact O-CB 3.35Å; S598-Y618 PolarHBondContact O-N 2.61Å; Y618-T620 HydrophobicContact CD1-CG2 3.97Å; Y618-T620 HydrophobicContact CE1-CG2 4.2Å; Y618-T620 PolarHBondContact O-N 3.4Å; Y618-W625 AromaticContact CD2-CD1 3.84Å; Y618-W625 HydrophobicContact CD2-CD2 4.21Å; Y618-W625 AromaticContact CD2-CE2 3.89Å; Y618-W625 HydrophobicContact CD2-CG 4.18Å; Y618-W625 HydrophobicContact CD2-CZ2 4.47Å; Y618-W625 AromaticContact CD2-NE1 3.63Å
619	N	94.1	Very high	92.4	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	107.1	174.6	-173	-27.6	0	0	0	109.4	P247 E621 G622 G623 F624 V626	P247-N619 PolarHBondContact O-ND2 3.18Å; N619-E621 VanDerWaalsContact C-N 3.31Å; N619-E621 PolarHBondContact O-N 3.45Å; N619-E621 PolarHBondContact OD1-N 3.49Å; N619-G622 PolarHBondContact O-N 3.46Å; N619-G622 PolarHBondContact OD1-N 3.23Å; N619-G623 WeakPolarHBondContact O-CA 3.38Å; N619-G623 PolarHBondContact O-N 3.47Å; N619-F624 HydrophobicContact CB-CD2 4.47Å; N619-F624 HydrophobicContact CB-CE2 4.31Å; N619-F624 WeakPolarHBondContact CB-O 3.18Å; N619-F624 PolarHBondContact N-O 3.39Å; N619-V626 HydrophobicContact CB-CG2 4.44Å
620	T	89.9	Confident	93.7	Very high	54 Å²	54	31.7 Å²	31.7	33%	0.331	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-24.2	-178.8	54.7	0	0	0	0	114.2	Q272 Y618	Q272-T620 HydrophobicContact CB-CG2 4.49Å; Y618-T620 HydrophobicContact CD1-CG2 3.97Å; Y618-T620 HydrophobicContact CE1-CG2 4.2Å; Y618-T620 PolarHBondContact O-N 3.4Å
621	E	86.4	Confident	94.5	Very high	110 Å²	110	31 Å²	31	51%	0.514	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-35.8	176.5	-64.3	-175.7	-171.8	0	0	111.6	P247 R275 W366 N619	P247-E621 WeakPolarHBondContact CB-OE2 3.48Å; R275-E621 IonicContact CZ-OE1 3.76Å; R275-E621 IonicContact NH2-OE1 3.67Å; R275-E621 PolarHBondContact NH2-OE1 3.33Å; W366-E621 HydrophobicContact CE3-CG 4.45Å; W366-E621 HydrophobicContact CZ3-CB 4.22Å; W366-E621 HydrophobicContact CZ3-CG 3.88Å; N619-E621 VanDerWaalsContact C-N 3.31Å; N619-E621 PolarHBondContact O-N 3.45Å; N619-E621 PolarHBondContact OD1-N 3.49Å
622	G	84.4	Confident	94.8	Very high	38 Å²	38	36.7 Å²	36.7	39%	0.392	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-27	179.3	0	0	0	0	0	114.7	N619 F624	N619-G622 PolarHBondContact O-N 3.46Å; N619-G622 PolarHBondContact OD1-N 3.23Å; G622-F624 VanDerWaalsContact C-CD1 3.42Å; G622-F624 VanDerWaalsContact CA-CE1 3.4Å; G622-F624 WeakPolarHBondContact O-CD1 3.39Å
623	G	91.3	Very high	94.8	Very high	46 Å²	46	36.2 Å²	36.2	47%	0.474	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	27.6	-174.6	0	0	0	0	0	114.1	N619	N619-G623 WeakPolarHBondContact O-CA 3.38Å; N619-G623 PolarHBondContact O-N 3.47Å
624	F	94.3	Very high	94.6	Very high	57 Å²	57	40.1 Å²	40.1	25%	0.25	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	159.7	-178.3	56.2	-98.7	0	0	0	112.3	A246 V249 N619 G622 V626 V635	A246-F624 HydrophobicContact CB-CZ 4.35Å; V249-F624 HydrophobicContact CG2-CE2 3.98Å; V249-F624 HydrophobicContact CG2-CZ 3.97Å; N619-F624 HydrophobicContact CB-CD2 4.47Å; N619-F624 HydrophobicContact CB-CE2 4.31Å; N619-F624 WeakPolarHBondContact CB-O 3.18Å; N619-F624 PolarHBondContact N-O 3.39Å; G622-F624 VanDerWaalsContact C-CD1 3.42Å; G622-F624 VanDerWaalsContact CA-CE1 3.4Å; G622-F624 WeakPolarHBondContact O-CD1 3.39Å; F624-V626 HydrophobicContact CD2-CG2 3.54Å; F624-V626 HydrophobicContact CE2-CG2 3.36Å; F624-V635 HydrophobicContact CB-CG1 4.26Å; F624-V635 HydrophobicContact CD2-CG1 4.12Å; F624-V635 HydrophobicContact CD2-CG2 4.04Å; F624-V635 HydrophobicContact CE2-CG2 4.09Å; F624-V635 HydrophobicContact CG-CG1 4.39Å
625	W	97.1	Very high	94.5	Very high	11 Å²	11	45 Å²	45	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	141.4	174	-76.7	91.7	0	0	0	111.5	L597 C617 Y618 V635 C636 V641	L597-W625 HydrophobicContact CB-CH2 4.39Å; L597-W625 HydrophobicContact CB-CZ2 4.38Å; L597-W625 HydrophobicContact CD2-CH2 3.82Å; L597-W625 HydrophobicContact CD2-CZ2 4.05Å; L597-W625 HydrophobicContact CG-CH2 3.8Å; L597-W625 HydrophobicContact CG-CZ2 4.2Å; L597-W625 WeakPolarHBondContact O-CZ2 3.29Å; C617-W625 VanDerWaalsContact C-CE3 3.49Å; Y618-W625 AromaticContact CD2-CD1 3.84Å; Y618-W625 HydrophobicContact CD2-CD2 4.21Å; Y618-W625 AromaticContact CD2-CE2 3.89Å; Y618-W625 HydrophobicContact CD2-CG 4.18Å; Y618-W625 HydrophobicContact CD2-CZ2 4.47Å; Y618-W625 AromaticContact CD2-NE1 3.63Å; W625-V635 WeakPolarHBondContact O-CA 3.46Å; W625-C636 WeakPolarHBondContact CB-O 3.3Å; W625-C636 PolarHBondContact O-N 2.66Å; W625-V641 HydrophobicContact CB-CG2 4.23Å; W625-V641 HydrophobicContact CD2-CG2 3.77Å; W625-V641 HydrophobicContact CE3-CG1 4.16Å; W625-V641 HydrophobicContact CE3-CG2 3.69Å; W625-V641 HydrophobicContact CG-CG2 4.02Å; W625-V641 HydrophobicContact CH2-CG1 4.17Å; W625-V641 HydrophobicContact CZ3-CG1 3.94Å; W625-V641 HydrophobicContact CZ3-CG2 4.32Å
626	V	96.4	Very high	94.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.8	178	-173.5	0	0	0	0	109.4	V249 Y616 C617 N619 F624 L633 D634	V249-V626 HydrophobicContact CG2-CG2 4.42Å; Y616-V626 CarbonylContact C-O 3.55Å; Y616-V626 WeakPolarHBondContact CA-O 3.43Å; C617-V626 PolarHBondContact N-O 2.94Å; C617-V626 PolarHBondContact O-N 3.4Å; N619-V626 HydrophobicContact CB-CG2 4.44Å; F624-V626 HydrophobicContact CD2-CG2 3.54Å; F624-V626 HydrophobicContact CE2-CG2 3.36Å; V626-L633 HydrophobicContact CG1-CB 3.79Å; V626-L633 HydrophobicContact CG1-CD2 3.84Å; V626-L633 HydrophobicContact CG1-CG 4.35Å; V626-D634 CarbonylContact C-O 3.56Å; V626-D634 WeakPolarHBondContact CA-O 3.49Å
627	H	97.6	Very high	94.2	Very high	25 Å²	25	47.5 Å²	47.5	12%	0.116	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	108.5	169.2	178.7	-143.5	0	0	0	109.2	T614 A615 Y616 L633 D634	T614-H627 WeakPolarHBondContact CB-NE2 3.48Å; T614-H627 PolarHBondContact OG1-NE2 3.49Å; A615-H627 CarbonylContact O-C 3.48Å; Y616-H627 HydrophobicContact CD1-CB 3.83Å; Y616-H627 AromaticContact CD2-CD2 3.96Å; Y616-H627 HydrophobicContact CE1-CB 3.64Å; Y616-H627 AromaticContact CE1-CD2 3.63Å; Y616-H627 AromaticContact CE1-CG 3.61Å; Y616-H627 AromaticContact CE2-CD2 3.49Å; Y616-H627 VanDerWaalsContact CE2-CD2 3.49Å; Y616-H627 WeakPolarHBondContact CE2-CD2 3.31Å; Y616-H627 AromaticContact CE2-NE2 3.8Å; Y616-H627 AromaticContact CZ-CD2 3.32Å; Y616-H627 AromaticContact CZ-CG 3.69Å; Y616-H627 AromaticContact CZ-NE2 3.68Å; H627-L633 VanDerWaalsContact O-CA 3.31Å; H627-L633 WeakPolarHBondContact O-CA 3.29Å; H627-D634 PolarHBondContact N-O 3.01Å; H627-D634 PolarHBondContact O-N 3.5Å
628	C	97.4	Very high	94	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.02	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	110.8	178.8	-54.7	0	0	0	0	110.2	Q266 A615	Q266-C628 HydrophobicContact CB-CB 4.16Å; Q266-C628 HydrophobicContact CG-CB 3.85Å; A615-C628 HydrophobicContact CB-CB 4.43Å; A615-C628 PolarHBondContact N-O 2.99Å; A615-C628 PolarHBondContact O-N 3.49Å
629	N	96.8	Very high	93.9	Very high	50 Å²	50	50.4 Å²	50.4	27%	0.267	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	81.7	174.4	-177.6	3.5	0	0	0	109.4	H612 T614 S631 K632	H612-N629 PolarHBondContact NE2-OD1 2.91Å; T614-N629 HydrophobicContact CG2-CB 3.93Å; N629-S631 PolarHBondContact O-N 2.83Å; N629-K632 CarbonylContact C-O 3.6Å; N629-K632 PolarHBondContact N-O 3.08Å; N629-K632 PolarHBondContact O-N 3.25Å
630	D	96.6	Very high	93.9	Very high	17 Å²	17	54.7 Å²	54.7	9%	0.091	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	-107.5	-172.3	-66	-41.8	0	0	0	111.8	G251 L252 N254 N262 H612 K632	G251-D630 CarbonylContact C-O 3.58Å; G251-D630 WeakPolarHBondContact CA-O 3.38Å; L252-D630 PolarHBondContact N-O 3.26Å; L252-D630 CarbonylContact O-C 3.56Å; L252-D630 VanDerWaalsContact O-CA 3.25Å; L252-D630 WeakPolarHBondContact O-CA 3.46Å; L252-D630 WeakPolarHBondContact O-CB 3.16Å; N254-D630 HydrophobicContact CB-CB 4.08Å; N254-D630 WeakPolarHBondContact CB-OD2 3.37Å; N254-D630 PolarHBondContact ND2-OD2 3.47Å; N262-D630 WeakPolarHBondContact CB-OD1 3.22Å; N262-D630 PolarHBondContact ND2-OD1 3.13Å; H612-D630 IonicContact CE1-OD2 3.03Å; H612-D630 PolarHBondContact CE1-OD2 3.01Å; H612-D630 VanDerWaalsContact CE1-OD2 3.24Å; D630-K632 VanDerWaalsContact C-N 3.35Å
631	S	94.2	Very high	94.2	Very high	59 Å²	59	52.1 Å²	52.1	41%	0.413	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-15.3	-177.6	56.3	0	0	0	0	113.6	L252 L372 N629	L252-S631 PolarHBondContact O-N 3.35Å; L252-S631 VanDerWaalsContact O-N 3.09Å; L372-S631 VanDerWaalsContact CD1-CB 3.48Å; N629-S631 PolarHBondContact O-N 2.83Å
632	K	93.5	Very high	94.6	Very high	139 Å²	139	48.2 Å²	48.2	60%	0.604	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.6	-178.1	-62.6	-178	-179.2	-179.7	0	109.9	N629 D630	N629-K632 CarbonylContact C-O 3.6Å; N629-K632 PolarHBondContact N-O 3.08Å; N629-K632 PolarHBondContact O-N 3.25Å; D630-K632 VanDerWaalsContact C-N 3.35Å
633	L	94.2	Very high	94.9	Very high	37 Å²	37	53.9 Å²	53.9	19%	0.194	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129	173.3	-55	91.6	0	0	0	109.6	V249 V626 H627	V249-L633 HydrophobicContact CG1-CB 4.1Å; V249-L633 HydrophobicContact CG1-CD2 4.16Å; V626-L633 HydrophobicContact CG1-CB 3.79Å; V626-L633 HydrophobicContact CG1-CD2 3.84Å; V626-L633 HydrophobicContact CG1-CG 4.35Å; H627-L633 VanDerWaalsContact O-CA 3.31Å; H627-L633 WeakPolarHBondContact O-CA 3.29Å
634	D	93.9	Very high	95	Very high	98 Å²	98	52 Å²	52	52%	0.524	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.7	179.2	-61.9	-61.7	0	0	0	109.2	V626 H627	V626-D634 CarbonylContact C-O 3.56Å; V626-D634 WeakPolarHBondContact CA-O 3.49Å; H627-D634 PolarHBondContact N-O 3.01Å; H627-D634 PolarHBondContact O-N 3.5Å
635	V	94.5	Very high	94.9	Very high	102 Å²	102	52.8 Å²	52.8	62%	0.618	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	135.5	172.6	178.9	0	0	0	0	108.4	F624 W625	F624-V635 HydrophobicContact CB-CG1 4.26Å; F624-V635 HydrophobicContact CD2-CG1 4.12Å; F624-V635 HydrophobicContact CD2-CG2 4.04Å; F624-V635 HydrophobicContact CE2-CG2 4.09Å; F624-V635 HydrophobicContact CG-CG1 4.39Å; W625-V635 WeakPolarHBondContact O-CA 3.46Å
636	C	95.3	Very high	94.9	Very high	16 Å²	16	52.3 Å²	52.3	11%	0.108	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	167.5	-176.8	52.9	0	0	0	0	111.7	W625 E640	W625-C636 WeakPolarHBondContact CB-O 3.3Å; W625-C636 PolarHBondContact O-N 2.66Å; C636-E640 VanDerWaalsContact CB-OE2 3.29Å; C636-E640 WeakPolarHBondContact CB-OE2 3.3Å
637	S	95.6	Very high	94.9	Very high	52 Å²	52	52.5 Å²	52.5	36%	0.364	27%	0.273	S	S	.	.			trans	-92.7	156.7	178	66.1	0	0	0	0	111.2	E639 E640 V641	S637-E639 VanDerWaalsContact CB-OE2 3.29Å; S637-E639 WeakPolarHBondContact CB-OE2 3.33Å; S637-E639 PolarHBondContact O-N 3.43Å; S637-E640 WeakPolarHBondContact O-CB 3.4Å; S637-E640 PolarHBondContact O-N 3.42Å; S637-E640 WeakPolarHBondContact OG-CB 3.14Å; S637-E640 PolarHBondContact OG-N 3.04Å; S637-V641 WeakPolarHBondContact O-CG2 3.21Å; S637-V641 PolarHBondContact O-N 2.93Å
638	V	94.3	Very high	94.9	Very high	29 Å²	29	51.4 Å²	51.4	18%	0.176	27%	0.268	C	S	.	.	H	α-helix	trans	-64.9	-31.4	177	66	0	0	0	0	111.4	Q572 E640 V641 C642	Q572-V638 HydrophobicContact CB-CG2 4.17Å; Q572-V638 HydrophobicContact CG-CG2 4.16Å; V638-E640 VanDerWaalsContact C-N 3.31Å; V638-E640 PolarHBondContact O-N 3.45Å; V638-V641 WeakPolarHBondContact O-CB 3.24Å; V638-V641 PolarHBondContact O-N 3.09Å; V638-C642 PolarHBondContact O-N 2.96Å
639	E	94.4	Very high	94.9	Very high	115 Å²	115	51.2 Å²	51.2	54%	0.537	27%	0.267	S	S	.	.	H	α-helix	trans	-65.5	-35.3	176.7	-61.6	75.1	-165.4	0	0	111.8	S637 K643	S637-E639 VanDerWaalsContact CB-OE2 3.29Å; S637-E639 WeakPolarHBondContact CB-OE2 3.33Å; S637-E639 PolarHBondContact O-N 3.43Å; E639-K643 WeakPolarHBondContact O-CD 3.26Å; E639-K643 VanDerWaalsContact O-CG 3.3Å; E639-K643 WeakPolarHBondContact O-CG 3.38Å; E639-K643 PolarHBondContact O-N 3.36Å
640	E	94.5	Very high	95	Very high	91 Å²	91	48.9 Å²	48.9	43%	0.425	25%	0.254	S	S	.	.	H	α-helix	trans	-67.1	-44.6	172.4	-176.2	177.5	177.7	0	0	110.7	C636 S637 V638 C642 K643 T644	C636-E640 VanDerWaalsContact CB-OE2 3.29Å; C636-E640 WeakPolarHBondContact CB-OE2 3.3Å; S637-E640 WeakPolarHBondContact O-CB 3.4Å; S637-E640 PolarHBondContact O-N 3.42Å; S637-E640 WeakPolarHBondContact OG-CB 3.14Å; S637-E640 PolarHBondContact OG-N 3.04Å; V638-E640 VanDerWaalsContact C-N 3.31Å; V638-E640 PolarHBondContact O-N 3.45Å; E640-C642 PolarHBondContact O-N 3.32Å; E640-K643 PolarHBondContact O-N 3.42Å; E640-T644 WeakPolarHBondContact O-CG2 3.28Å
641	V	95.3	Very high	95	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-58.5	-47.6	177.9	178.3	0	0	0	0	111.1	F570 L597 V600 Y616 W625 S637 V638 K643 T644	F570-V641 WeakPolarHBondContact CZ-O 3.48Å; L597-V641 HydrophobicContact CD2-CG1 3.89Å; V600-V641 HydrophobicContact CB-CG1 4.43Å; V600-V641 HydrophobicContact CG2-CG1 3.62Å; Y616-V641 HydrophobicContact CD1-CG2 3.73Å; Y616-V641 HydrophobicContact CG-CG2 4.18Å; W625-V641 HydrophobicContact CB-CG2 4.23Å; W625-V641 HydrophobicContact CD2-CG2 3.77Å; W625-V641 HydrophobicContact CE3-CG1 4.16Å; W625-V641 HydrophobicContact CE3-CG2 3.69Å; W625-V641 HydrophobicContact CG-CG2 4.02Å; W625-V641 HydrophobicContact CH2-CG1 4.17Å; W625-V641 HydrophobicContact CZ3-CG1 3.94Å; W625-V641 HydrophobicContact CZ3-CG2 4.32Å; S637-V641 WeakPolarHBondContact O-CG2 3.21Å; S637-V641 PolarHBondContact O-N 2.93Å; V638-V641 WeakPolarHBondContact O-CB 3.24Å; V638-V641 PolarHBondContact O-N 3.09Å; V641-K643 PolarHBondContact O-N 3.31Å; V641-T644 VanDerWaalsContact O-CB 3.31Å; V641-T644 WeakPolarHBondContact O-CB 3.29Å; V641-T644 VanDerWaalsContact O-CG2 3.28Å; V641-T644 WeakPolarHBondContact O-CG2 3.23Å; V641-T644 PolarHBondContact O-N 3.08Å; V641-T644 VanDerWaalsContact O-N 3.11Å; V641-T644 PolarHBondContact O-OG1 2.75Å
642	C	94.3	Very high	95	Very high	28 Å²	28	47 Å²	47	19%	0.189	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-24.2	179.9	-74.5	0	0	0	0	113.8	H567 F570 V638 E640 T644	H567-C642 PolarHBondContact CE1-O 3.03Å; F570-C642 PolarHBondContact O-SG 3.1Å; F570-C642 VanDerWaalsContact O-SG 3.37Å; V638-C642 PolarHBondContact O-N 2.96Å; E640-C642 PolarHBondContact O-N 3.32Å; C642-T644 VanDerWaalsContact C-N 3.3Å
643	K	92.5	Very high	94.9	Very high	157 Å²	157	44.5 Å²	44.5	68%	0.683	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-5	177	-70.7	169.9	-175.3	172.3	0	113.6	H567 E639 E640 V641	H567-K643 VanDerWaalsContact CE1-C 3.48Å; H567-K643 PolarHBondContact CE1-O 2.94Å; E639-K643 WeakPolarHBondContact O-CD 3.26Å; E639-K643 VanDerWaalsContact O-CG 3.3Å; E639-K643 WeakPolarHBondContact O-CG 3.38Å; E639-K643 PolarHBondContact O-N 3.36Å; E640-K643 PolarHBondContact O-N 3.42Å; V641-K643 PolarHBondContact O-N 3.31Å
644	T	93.1	Very high	94.7	Very high	7 Å²	7	47 Å²	47	4%	0.043	23%	0.234	C	C	.	.	S	Bend	trans	-71.6	153.2	-176.4	62.6	0	0	0	0	112.9	H567 M602 Y616 E640 V641 C642 A646	H567-T644 PolarHBondContact CE1-O 3.04Å; H567-T644 VanDerWaalsContact CE1-O 3.24Å; H567-T644 PolarHBondContact ND1-O 3.27Å; M602-T644 HydrophobicContact CE-CG2 3.47Å; M602-T644 VanDerWaalsContact CE-CG2 3.47Å; Y616-T644 HydrophobicContact CD2-CG2 4.03Å; Y616-T644 HydrophobicContact CE1-CG2 4.17Å; Y616-T644 HydrophobicContact CE2-CG2 3.51Å; E640-T644 WeakPolarHBondContact O-CG2 3.28Å; V641-T644 VanDerWaalsContact O-CB 3.31Å; V641-T644 WeakPolarHBondContact O-CB 3.29Å; V641-T644 VanDerWaalsContact O-CG2 3.28Å; V641-T644 WeakPolarHBondContact O-CG2 3.23Å; V641-T644 PolarHBondContact O-N 3.08Å; V641-T644 VanDerWaalsContact O-N 3.11Å; V641-T644 PolarHBondContact O-OG1 2.75Å; C642-T644 VanDerWaalsContact C-N 3.3Å; T644-A646 VanDerWaalsContact C-N 3.27Å; T644-A646 PolarHBondContact O-N 3.34Å
645	Q	92.3	Very high	93.6	Very high	73 Å²	73	46.2 Å²	46.2	34%	0.341	23%	0.233	S	C	.	.			trans	-80.2	75	169.8	-66.1	-159.9	-26.9	0	0	110.9	G565 M602 Y647	G565-Q645 PolarHBondContact O-NE2 3.38Å; M602-Q645 WeakPolarHBondContact CG-O 3.29Å; Q645-Y647 PolarHBondContact O-N 3.38Å
646	A	95.7	Very high	91.7	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	134.9	-177.6	0	0	0	0	0	112.4	L550 R552 F570 V600 T644 L649	L550-A646 HydrophobicContact CD1-CB 4.25Å; L550-A646 WeakPolarHBondContact CD1-O 3.4Å; R552-A646 PolarHBondContact NE-O 3.39Å; R552-A646 PolarHBondContact NH2-O 3.37Å; F570-A646 HydrophobicContact CD1-CB 4.18Å; F570-A646 HydrophobicContact CE1-CB 3.53Å; F570-A646 HydrophobicContact CZ-CB 4.04Å; V600-A646 HydrophobicContact CG1-CB 3.57Å; T644-A646 VanDerWaalsContact C-N 3.27Å; T644-A646 PolarHBondContact O-N 3.34Å; A646-L649 HydrophobicContact CB-CD1 4.38Å; A646-L649 HydrophobicContact CB-CD2 3.61Å; A646-L649 HydrophobicContact CB-CG 3.91Å
647	Y	96.6	Very high	89.1	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-45.5	170.7	-179.5	-122.5	0	0	0	110.8	D396 A397 Q398 H549 L550 F553 V601 H603 Y613 Q645	D396-Y647 PolarHBondContact OD1-OH 3.13Å; D396-Y647 PolarHBondContact OD2-OH 3.16Å; A397-Y647 HydrophobicContact CB-CE1 4.42Å; Q398-Y647 HydrophobicContact CB-CE1 4.25Å; H549-Y647 AromaticContact CD2-CE2 3.9Å; H549-Y647 AromaticContact CD2-CZ 3.9Å; H549-Y647 AromaticContact NE2-CE2 3.55Å; H549-Y647 AromaticContact NE2-CZ 3.55Å; H549-Y647 PolarHBondContact NE2-OH 3.19Å; L550-Y647 PolarHBondContact N-O 3.37Å; F553-Y647 HydrophobicContact CD2-CE2 4.12Å; F553-Y647 AromaticContact CE2-CE2 3.88Å; F553-Y647 HydrophobicContact CE2-CE2 3.88Å; V601-Y647 WeakPolarHBondContact O-CA 3.18Å; V601-Y647 WeakPolarHBondContact O-CB 3.47Å; V601-Y647 PolarHBondContact O-N 3.37Å; H603-Y647 HydrophobicContact CB-CG 4.3Å; Y613-Y647 HydrophobicContact CD1-CD1 4.4Å; Y613-Y647 AromaticContact CE1-CD1 3.64Å; Y613-Y647 HydrophobicContact CE1-CD1 3.64Å; Y613-Y647 AromaticContact CE1-CE1 3.81Å; Y613-Y647 HydrophobicContact CE1-CE1 3.81Å; Y613-Y647 HydrophobicContact CE1-CG 4.48Å; Q645-Y647 PolarHBondContact O-N 3.38Å
648	I	98	Very high	86.1	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.3	173.3	-47	171.7	0	0	0	108.1	I264 Q398 L548 V600 V601 F650	I264-I648 HydrophobicContact CD1-CD1 4.23Å; Q398-I648 HydrophobicContact CB-CD1 3.85Å; Q398-I648 HydrophobicContact CB-CG1 4.48Å; L548-I648 CarbonylContact O-C 3.53Å; L548-I648 WeakPolarHBondContact O-CA 3.19Å; V600-I648 CarbonylContact C-O 3.58Å; V600-I648 WeakPolarHBondContact CA-O 3.45Å; V601-I648 HydrophobicContact CB-CB 4.03Å; V601-I648 HydrophobicContact CB-CD1 4.44Å; V601-I648 HydrophobicContact CB-CG1 4.33Å; V601-I648 HydrophobicContact CG2-CB 4.29Å; V601-I648 PolarHBondContact N-O 3.3Å; V601-I648 PolarHBondContact O-N 2.83Å; I648-F650 HydrophobicContact CB-CE2 3.98Å; I648-F650 HydrophobicContact CG2-CD2 4.1Å; I648-F650 HydrophobicContact CG2-CE2 3.41Å; I648-F650 VanDerWaalsContact CG2-CE2 3.41Å; I648-F650 HydrophobicContact CG2-CZ 3.82Å
649	L	98.3	Very high	83.1	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137	175.1	-63	160.4	0	0	0	109.6	L493 L548 L550 F570 L597 V600 A646 Y651	L493-L649 HydrophobicContact CD1-CD1 3.86Å; L493-L649 HydrophobicContact CD2-CD1 3.82Å; L493-L649 HydrophobicContact CG-CD1 4.45Å; L548-L649 HydrophobicContact CB-CB 4.25Å; L548-L649 PolarHBondContact N-O 3.35Å; L548-L649 PolarHBondContact O-N 3.42Å; L550-L649 HydrophobicContact CD1-CD1 4.39Å; F570-L649 HydrophobicContact CB-CD1 4.3Å; F570-L649 HydrophobicContact CD1-CD1 4.26Å; F570-L649 HydrophobicContact CD1-CD2 4Å; F570-L649 HydrophobicContact CD2-CD2 3.73Å; F570-L649 HydrophobicContact CE1-CD2 4Å; F570-L649 HydrophobicContact CE2-CD2 3.69Å; F570-L649 HydrophobicContact CG-CD1 4.17Å; F570-L649 HydrophobicContact CG-CD2 3.9Å; F570-L649 HydrophobicContact CZ-CD2 3.83Å; L597-L649 HydrophobicContact CD1-CD2 3.98Å; V600-L649 HydrophobicContact CB-CD2 4.4Å; V600-L649 HydrophobicContact CG1-CD2 3.97Å; V600-L649 HydrophobicContact CG2-CD2 3.81Å; A646-L649 HydrophobicContact CB-CD1 4.38Å; A646-L649 HydrophobicContact CB-CD2 3.61Å; A646-L649 HydrophobicContact CB-CG 3.91Å; L649-Y651 HydrophobicContact CB-CD2 4.13Å; L649-Y651 HydrophobicContact CB-CE2 3.75Å; L649-Y651 HydrophobicContact CD1-CE2 4.25Å; L649-Y651 HydrophobicContact CG-CE2 4.44Å
650	F	97.8	Very high	80.4	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.4	175.6	-65.3	-103.4	0	0	0	109.1	V267 L271 L401 V545 R547 S598 A599 V601 I648	V267-F650 HydrophobicContact CG1-CD1 3.88Å; V267-F650 HydrophobicContact CG1-CD2 3.73Å; V267-F650 HydrophobicContact CG1-CE1 3.79Å; V267-F650 HydrophobicContact CG1-CE2 3.67Å; V267-F650 HydrophobicContact CG1-CG 3.83Å; V267-F650 HydrophobicContact CG1-CZ 3.69Å; V267-F650 HydrophobicContact CG2-CE2 4.41Å; L271-F650 HydrophobicContact CD1-CD1 4.2Å; L401-F650 HydrophobicContact CD2-CE1 3.97Å; L401-F650 HydrophobicContact CD2-CZ 3.55Å; V545-F650 HydrophobicContact CG1-CD1 4.23Å; R547-F650 HydrophobicContact CG-CD1 3.77Å; R547-F650 HydrophobicContact CG-CE1 3.68Å; S598-F650 PolarHBondContact N-O 2.96Å; A599-F650 HydrophobicContact CB-CB 4.06Å; A599-F650 HydrophobicContact CB-CD2 4.17Å; A599-F650 HydrophobicContact CB-CG 4.35Å; A599-F650 PolarHBondContact N-O 3.25Å; A599-F650 PolarHBondContact O-N 2.77Å; V601-F650 HydrophobicContact CG2-CE2 3.97Å; I648-F650 HydrophobicContact CB-CE2 3.98Å; I648-F650 HydrophobicContact CG2-CD2 4.1Å; I648-F650 HydrophobicContact CG2-CE2 3.41Å; I648-F650 VanDerWaalsContact CG2-CE2 3.41Å; I648-F650 HydrophobicContact CG2-CZ 3.82Å
651	Y	96.8	Very high	77.6	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.9	-178.7	-82.7	-80	0	0	0	108.5	L493 V545 L546 L548 D571 L574 Y595 D596 L597 L649	L493-Y651 HydrophobicContact CD2-CE2 3.93Å; V545-Y651 CarbonylContact C-O 3.51Å; V545-Y651 VanDerWaalsContact CA-O 3.26Å; V545-Y651 WeakPolarHBondContact CA-O 3.49Å; L546-Y651 PolarHBondContact N-O 3.47Å; L546-Y651 PolarHBondContact O-N 3.36Å; L548-Y651 HydrophobicContact CD1-CD2 4.04Å; L548-Y651 HydrophobicContact CD1-CE2 4.01Å; D571-Y651 PolarHBondContact O-OH 2.79Å; L574-Y651 HydrophobicContact CB-CD1 3.79Å; L574-Y651 HydrophobicContact CB-CE1 3.56Å; L574-Y651 HydrophobicContact CB-CG 4.41Å; L574-Y651 HydrophobicContact CD2-CD1 4.4Å; L574-Y651 HydrophobicContact CD2-CD2 4Å; L574-Y651 HydrophobicContact CD2-CE1 4.38Å; L574-Y651 HydrophobicContact CD2-CE2 3.96Å; L574-Y651 HydrophobicContact CD2-CG 4.22Å; Y595-Y651 WeakPolarHBondContact CD1-O 3.4Å; D596-Y651 CarbonylContact O-C 3.54Å; D596-Y651 WeakPolarHBondContact O-CA 3.31Å; L597-Y651 HydrophobicContact CB-CD1 4.16Å; L597-Y651 HydrophobicContact CB-CE1 3.77Å; L597-Y651 HydrophobicContact CD1-CD1 4.24Å; L597-Y651 HydrophobicContact CD1-CD2 4.28Å; L597-Y651 HydrophobicContact CD1-CE1 3.74Å; L597-Y651 HydrophobicContact CD1-CE2 3.8Å; L597-Y651 HydrophobicContact CD1-CG 4.48Å; L597-Y651 HydrophobicContact CG-CE1 4.37Å; L649-Y651 HydrophobicContact CB-CD2 4.13Å; L649-Y651 HydrophobicContact CB-CE2 3.75Å; L649-Y651 HydrophobicContact CD1-CE2 4.25Å; L649-Y651 HydrophobicContact CG-CE2 4.44Å
652	T	94.8	Very high	74.7	Confident	37 Å²	37	72.5 Å²	72.5	23%	0.227	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.8	175.6	-59.8	0	0	0	0	109.8	V545 Y595 D596 S598 R654	V545-T652 HydrophobicContact CG2-CG2 4.4Å; Y595-T652 CarbonylContact C-O 3.56Å; Y595-T652 WeakPolarHBondContact CA-O 3.37Å; Y595-T652 VanDerWaalsContact CD1-C 3.42Å; D596-T652 PolarHBondContact N-O 2.79Å; D596-T652 PolarHBondContact O-N 3.05Å; S598-T652 WeakPolarHBondContact OG-CB 3.49Å; S598-T652 PolarHBondContact OG-N 2.96Å; S598-T652 PolarHBondContact OG-OG1 3.45Å; T652-R654 PolarHBondContact O-N 3.12Å
653	R	91.8	Very high	71.5	Confident	86 Å²	86	75.2 Å²	75.2	33%	0.325	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	133.2	-179.7	-165.2	174	69.9	-177.9	5.2	110.5	Q544 T592 Y595 T655	Q544-R653 WeakPolarHBondContact O-CB 3.38Å; Q544-R653 PolarHBondContact O-N 3.41Å; T592-R653 WeakPolarHBondContact O-CD 3.46Å; Y595-R653 HydrophobicContact CD1-CB 4Å; Y595-R653 HydrophobicContact CE1-CB 3.53Å; Y595-R653 HydrophobicContact CE1-CG 4.18Å; Y595-R653 HydrophobicContact CE2-CB 4.24Å; Y595-R653 HydrophobicContact CE2-CG 3.97Å; R653-T655 PolarHBondContact O-N 2.94Å
654	R	88.4	Confident	68.8	Low	89 Å²	89	76.4 Å²	76.4	34%	0.336	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-60.7	132.1	171.6	-75.1	-175.6	178.9	-173.9	-0.1	110	A594 D596 T652	A594-R654 HydrophobicContact CB-CG 4.45Å; A594-R654 PolarHBondContact O-N 3.17Å; D596-R654 VanDerWaalsContact CG-NE 3.26Å; D596-R654 IonicContact OD1-CZ 3.22Å; D596-R654 VanDerWaalsContact OD1-CZ 3.22Å; D596-R654 IonicContact OD1-NE 2.97Å; D596-R654 PolarHBondContact OD1-NE 2.82Å; D596-R654 IonicContact OD1-NH2 3.97Å; D596-R654 PolarHBondContact OD1-NH2 3Å; D596-R654 WeakPolarHBondContact OD2-CG 3.21Å; D596-R654 IonicContact OD2-CZ 3.89Å; D596-R654 IonicContact OD2-NE 2.71Å; D596-R654 PolarHBondContact OD2-NE 2.91Å; D596-R654 IonicContact OD2-NH2 3.71Å; T652-R654 PolarHBondContact O-N 3.12Å
655	T	71.6	Confident	65.8	Low	82 Å²	82	80.6 Å²	80.6	50%	0.503	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-98.5	126.6	171.9	48.5	0	0	0	0	109.3	R653 Q657	R653-T655 PolarHBondContact O-N 2.94Å; T655-Q657 PolarHBondContact O-N 3.12Å; T655-Q657 VanDerWaalsContact O-N 3.09Å
656	V	54.9	Low	62.9	Low	98 Å²	98	84.6 Å²	84.6	59%	0.594	46%	0.458	S	S	*	.	S	Bend	trans	-58.7	-22.5	179.5	-176.4	0	0	0	0	112.5	E591 G658	E591-V656 HydrophobicContact CB-CG2 4.24Å; V656-G658 PolarHBondContact O-N 3.34Å
657	Q	39.2	Very low	60.1	Low	188 Å²	188	91.9 Å²	91.9	88%	0.879	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	87.8	170.4	-73.8	179.5	-8.6	0	0	110.3	T655	T655-Q657 PolarHBondContact O-N 3.12Å; T655-Q657 VanDerWaalsContact O-N 3.09Å
658	G	34	Very low	57.1	Low	57 Å²	57	102.1 Å²	102.1	59%	0.588	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	174	7.4	-179.8	0	0	0	0	0	116.7	V656 A660	V656-G658 PolarHBondContact O-N 3.34Å; G658-A660 PolarHBondContact O-N 3.23Å
659	S	31	Very low	54.1	Low	125 Å²	125	105.6 Å²	105.6	87%	0.874	56%	0.563	S	S	*	*			trans	-73.3	68.4	161	-168.6	0	0	0	0	109.5
660	A	37.7	Very low	51	Low	84 Å²	84	113.8 Å²	113.8	69%	0.694	60%	0.602	S	S	*	*	S	Bend	trans	-139	95.4	162	0	0	0	0	0	106.2	G658	G658-A660 PolarHBondContact O-N 3.23Å
661	R	35.8	Very low	48	Very low	237 Å²	237	119.4 Å²	119.4	89%	0.894	64%	0.636	S	S	*	*	S	Bend	trans	89	54.3	173.7	-50.1	-176.9	-175.8	-165.8	1.1	117.6
662	L	34.5	Very low	44.9	Very low	169 Å²	169	127.8 Å²	127.8	89%	0.885	68%	0.675	S	S	*	*			trans	-124.1	81.8	130.2	-72.5	172.9	0	0	0	106.4	E664	L662-E664 PolarHBondContact O-N 3.2Å
663	S	26.9	Very low	41.9	Very low	85 Å²	85	131.1 Å²	131.1	59%	0.594	70%	0.7	S	S	*	*			trans	-73.4	110.2	176	50.4	0	0	0	0	109	P665	S663-P665 WeakPolarHBondContact O-CD 3.38Å
664	E	35.1	Very low	39.1	Very low	181 Å²	181	132.3 Å²	132.3	85%	0.846	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	21	172.9	-131.7	176.1	176.1	0	0	117.6	L662	L662-E664 PolarHBondContact O-N 3.2Å
665	P	30.8	Very low	36.6	Very low	95 Å²	95	133 Å²	133	62%	0.617	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-3.4	167	7.8	9.8	0	0	0	116.1	S663	S663-P665 WeakPolarHBondContact O-CD 3.38Å
666	Q	31.9	Very low	34.5	Very low	157 Å²	157	139 Å²	139	73%	0.734	76%	0.759	S	S	*	*	S	Bend	trans	-90.2	-14.8	-176.4	-81.8	178	-20.8	0	0	115.4
667	L	36.3	Very low	33.3	Very low	154 Å²	154	142 Å²	142	81%	0.806	77%	0.771	S	S	*	*	S	Bend	trans	-82.1	-12.9	175.9	-95.3	119.2	0	0	0	114.6
668	R	33.4	Very low	32.9	Very low	219 Å²	219	142.7 Å²	142.7	83%	0.826	78%	0.775	S	S	*	*	S	Bend	trans	-92.3	-8.3	175.5	-79.7	-172.9	176.9	-169.5	0.6	114.6
669	A	34.5	Very low	32.6	Very low	74 Å²	74	143.4 Å²	143.4	61%	0.612	78%	0.782	S	S	*	*	S	Bend	trans	-92.1	-1.6	-177.7	0	0	0	0	0	114.9
670	Q	34.5	Very low	32.6	Very low	173 Å²	173	147.3 Å²	147.3	81%	0.808	78%	0.778	S	S	*	*	S	Bend	trans	-112.4	5.9	177.3	-80.3	-175.4	-17.8	0	0	114.6
671	V	34.8	Very low	32.2	Very low	117 Å²	117	149.8 Å²	149.8	71%	0.709	78%	0.784	S	S	*	*	S	Bend	trans	-111.7	-1.5	177	-175.2	0	0	0	0	112.4
672	Q	30.7	Very low	32	Very low	177 Å²	177	147.2 Å²	147.2	83%	0.827	78%	0.776	S	S	*	*	S	Bend	trans	-119.6	21	-177.4	-74.6	-171.3	-10.6	0	0	115.4
673	S	31.2	Very low	32.2	Very low	106 Å²	106	144.5 Å²	144.5	74%	0.741	77%	0.767	S	S	*	*	S	Bend	trans	-116.3	19.9	176.4	61.6	0	0	0	0	115.3
674	S	32.9	Very low	32.3	Very low	112 Å²	112	149.3 Å²	149.3	78%	0.783	78%	0.777	S	S	*	*	S	Bend	trans	-135.6	40.5	178.2	75.1	0	0	0	0	115.2
675	S	36.5	Very low	32.8	Very low	102 Å²	102	150 Å²	150	71%	0.713	80%	0.797	S	S	*	*	S	Bend	trans	-161	51.1	173.2	58.8	0	0	0	0	115.2
676	K	28.6	Very low	32.9	Very low	208 Å²	208	152.7 Å²	152.7	90%	0.904	81%	0.806	S	S	*	*			trans	-153	96.2	159	-73.3	-166.3	179.9	177.5	0	109.3
677	D	28.5	Very low	32.9	Very low	161 Å²	161	152.5 Å²	152.5	86%	0.861	81%	0.81	S	S	*	*				177.6	93.9	126	-153.1	11.5	0	0	0	110
678	E	31	Very low	32.7	Very low	204 Å²	204	152.4 Å²	152.4	95%	0.953	81%	0.81	S	S	*	*			trans	-161	120.1	147.4	-84.5	-151.2	150.2	0	0	107.7
679	G	28.7	Very low	32.7	Very low	72 Å²	72	148.5 Å²	148.5	74%	0.742	81%	0.809	S	S	*	*			trans	147.3	51.3	172	0	0	0	0	0	115.4	T681	G679-T681 PolarHBondContact O-N 2.74Å
680	R	30.4	Very low	32.6	Very low	207 Å²	207	153.1 Å²	153.1	78%	0.781	82%	0.821	S	S	*	*			trans	-86.4	99.2	167	-159.8	176.2	-169.3	175.8	3.7	108.4	Y682	R680-Y682 HydrophobicContact CG-CD2 4.44Å; R680-Y682 HydrophobicContact CG-CE2 4.1Å
681	T	28.4	Very low	32.4	Very low	136 Å²	136	151.8 Å²	151.8	83%	0.834	82%	0.822	S	S	*	*			trans	-84.7	122.6	167	31.8	0	0	0	0	109.7	G679	G679-T681 PolarHBondContact O-N 2.74Å
682	Y	32.6	Very low	32.3	Very low	182 Å²	182	154.3 Å²	154.3	71%	0.714	83%	0.83	S	S	*	*			trans	-94.1	132.3	165.3	-82.4	-92.7	0	0	0	109	R680	R680-Y682 HydrophobicContact CG-CD2 4.44Å; R680-Y682 HydrophobicContact CG-CE2 4.1Å
683	T	38	Very low	32.4	Very low	113 Å²	113	152.5 Å²	152.5	69%	0.693	83%	0.831	S	S	*	*			trans	-128.2	130.5	156.3	52.3	0	0	0	0	104.4
684	F	29	Very low	32.5	Very low	186 Å²	186	156.4 Å²	156.4	82%	0.816	84%	0.838	S	S	*	*				-168	177.2	53.1	-89.1	-89.6	0	0	0	107.2
685	P	45.3	Very low	32.5	Very low	194 Å²	194	160.5 Å²	160.5	100%	1.26	84%	0.843	S	S	*	*			cis	-107.8	0	-0.7	27.5	-9.5	0	0	0	115.2

Retrieved 685 of 685 residues in 476.6 ms (Link to these results)

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